,smi,activity,dataset
274023,COC1C=CC(Cc2cc(C)n(C)c2)C1=O,0,GDB ChEMBL
159892,C[NH2+]CCN1C2CCC1C(C(C)[NH3+])C2,0,GDB ChEMBL
174036,CC(O)C#CC1(O)CCC1,1,GDB ChEMBL
300108,CC1(CCCS(C)(=O)=O)CS(=O)(=O)[N-]C1=O,0,GDB ChEMBL
279239,NC(=[NH2+])C(N)C(O)C(CO)CC(O)C[NH3+],0,GDB ChEMBL
93740,CC1=CC2C(C1)C1CC1C[NH+]2C,0,GDB ChEMBL
48167,CC(=O)NC1C[NH+](C)C2CCC2OC1(C)C,0,GDB ChEMBL
177125,CCc1cnc(N2CC([NH3+])C2)c2nccn12,0,GDB ChEMBL
304599,CC12CC1CCC21CNC(=O)O1,1,GDB ChEMBL
362049,CCC1C(C=O)CCC1CCO,1,GDB ChEMBL
61659,CC1(C)Oc2cc(O)ccc2C12CCOCC2,0,GDB ChEMBL
269187,COCCCC1NC=[NH+]CC1O,0,GDB ChEMBL
375553,N=C1NS(=O)(=O)C2CC2CNC(=O)CO1,0,GDB ChEMBL
366882,CC1CC(COCC(O)CC2CC2)C1,1,GDB ChEMBL
252609,C#CC1(C(=O)OC)C2CNC(=O)N21,0,GDB ChEMBL
132564,CC[NH2+]C1(C(O)C(C)C(=O)[O-])CNCCOC1,0,GDB ChEMBL
75828,CC1CCc2cc(Cl)cc3c2C2C1C2C3C,0,GDB ChEMBL
124165,Cc1ncn(C2CC(=O)NC23CN(C)C3)n1,0,GDB ChEMBL
216457,CCCC1C2C(C(C)C)CC(C2CC)C1(C)C,0,GDB ChEMBL
266262,C[NH2+]CCOc1ncc2c(Br)cccn12,0,GDB ChEMBL
362230,CC1(C)CC(O)CCC1O,1,GDB ChEMBL
299208,CCC1CCC2CCCCC(C2)C2(CC2)[NH2+]1,0,GDB ChEMBL
192571,CCC([NH3+])C(N)C1OC1C(N)C(CO)[NH2+]C,0,GDB ChEMBL
70136,CC1CC2CC(C[NH2+]2)[NH2+]C1C,0,GDB ChEMBL
200947,C#CCc1cc(CO)c2ccoc2c1F,1,GDB ChEMBL
255520,CCC(O)Cc1cc(C)cc(Cl)c1C(F)(F)F,1,GDB ChEMBL
387029,Nc1nccc2nonc12,1,GDB ChEMBL
115893,C#CC(CCC(C)C)N1CC1,1,GDB ChEMBL
277731,CC[NH2+]CCCCOCc1sncc1[O-],0,GDB ChEMBL
124754,CC(C)CCCc1ccc(I)c(I)c1,1,GDB ChEMBL
43539,CCC(C)C1=CCCC1[NH3+],0,GDB ChEMBL
20087,C#CC(C)c1cc(CC2CCCC[NH2+]C2)co1,0,GDB ChEMBL
8772,N#CCCC1C([NH3+])C1NC(N)=O,0,GDB ChEMBL
203168,CC1=CCC2(C1)NC(=O)OCC2[NH3+],0,GDB ChEMBL
193308,C#CC(C)(C#N)OCCC,1,GDB ChEMBL
238536,CC1OCCC2(CC2)CC(C)(C)C1=O,0,GDB ChEMBL
1065,CC(C)CC1=CC=CC[NH+](C)C1,0,GDB ChEMBL
318411,C#CCCCc1cccnc(C)oc(=O)cc1,0,GDB ChEMBL
219511,CCCC12CC(C1)N(C(=O)CC=O)C2,1,GDB ChEMBL
289295,CC(C)(CC#N)COc1cc(F)cc(N)c1F,1,GDB ChEMBL
115764,Cc1[nH]c(C=O)ccc(O)cc2c1C(C)[NH2+]C2,0,GDB ChEMBL
22009,CC1OC2C[NH+]=C(N)OCC(C2)CC1O,0,GDB ChEMBL
136033,C#CCCC(C#C)(OC)c1ccc(CC)cc1,1,GDB ChEMBL
235597,N#CCNC(=O)C1OC1(C(N)=O)C(=O)[O-],0,GDB ChEMBL
181013,Cc1nc(NC2CC[NH2+]C2)cnc1F,0,GDB ChEMBL
131673,CC12CC(CC(=O)[O-])C1(C)C2,0,GDB ChEMBL
230459,C[NH2+]C(C(=O)[O-])c1sc(CN(C)C)nc1C,1,GDB ChEMBL
205941,CCC1C2CCCCCCC2C2CCC1(C)C2,0,GDB ChEMBL
215334,CNCC[NH+](C)C1C2CCC1(C)CCC([NH3+])C2,0,GDB ChEMBL
302645,COC12CC(CO)COC1C([NH3+])CC2CC#N,0,GDB ChEMBL
375732,CC1OC(=O)NC=NCCC1C#N,0,GDB ChEMBL
370390,CC[NH2+]CC(C)N(C)CC,0,GDB ChEMBL
330053,C#CC(C)[NH2+]C(C)COc1ccc(NC)cc1,0,GDB ChEMBL
151268,CC(C[NH2+]C1(CO)CC=CC1)=NO,0,GDB ChEMBL
342600,O=C([O-])C1OC(CO)C(=O)C1n1cncn1,0,GDB ChEMBL
298935,N#CC1(CC[NH3+])C(O)C(O)C(O)C1O,0,GDB ChEMBL
225018,COCCCOC1(C)CC1C1CC1,1,GDB ChEMBL
298972,CC(OC(=O)C(N)=O)C(CO)NC(=O)C[NH3+],1,GDB ChEMBL
263465,CCC1(C2=CC(C3CC3)C(C)C2)CC[NH2+]C1,0,GDB ChEMBL
379263,CC([NH3+])CN(C)c1ncnn1C,0,GDB ChEMBL
126940,N#CCCOC=NCC(N)=O,1,GDB ChEMBL
247335,CCOc1c(Cl)c(C)cc(C)c1C1(C)CC1,1,GDB ChEMBL
222085,CC[NH+]1CC2CCC1C1C2C1(C)C,0,GDB ChEMBL
34778,CCC(CC)C(CC)C(C)(C)C1CCCCC1,0,GDB ChEMBL
277120,CNC(=O)C(O)C(O)CC1([NH3+])C(C)CC1C,0,GDB ChEMBL
355326,CC1CC(O)C(C2CNCC(=O)N2)C1C#N,0,GDB ChEMBL
5216,CCC([NH3+])(CO)C(C)C[NH2+]CCO,0,GDB ChEMBL
101518,Cc1cc2c3c([nH]c2s1)CCC1CC[NH+](C3)C1,0,GDB ChEMBL
261162,N=C1OC(=O)C(C(N)=O)C1C(=O)[O-],0,GDB ChEMBL
203206,CC12CCC3OC(C1)C(=O)C3C2,0,GDB ChEMBL
177045,CC1(C#N)C[NH+]=C(N)CCCCOC1,0,GDB ChEMBL
215319,Cc1cc(S(=O)(=O)[O-])c[nH]c1=O,1,GDB ChEMBL
23954,[NH3+]C(C(=O)[O-])C1C2C(O)CNC(=O)N21,0,GDB ChEMBL
187199,C#CCCCCS(=O)(=O)NCC1CO1,1,GDB ChEMBL
865,CC1Nc2ccccc2C1C1CC1,1,GDB ChEMBL
17311,C[NH+]1CCCC2NCC1C2=O,0,GDB ChEMBL
51039,C#CC1C2CCCC1CC(C)(C)C2,1,GDB ChEMBL
142525,COCC1=CCCC(C)(C)C=C1,0,GDB ChEMBL
334586,CCC1C[NH+]1CC1C=CCCC(C)C1,0,GDB ChEMBL
249471,CC(=O)C(C(N)=[NH2+])C(N)=[NH+]CCCO,0,GDB ChEMBL
372087,CNC(=NC(C)CO)C(=NO)C(=O)[O-],0,GDB ChEMBL
350962,CCC1=NC(CC[NH3+])CO1,1,GDB ChEMBL
173893,C#CC[NH+](C)C(C)(C)CCCC(C)CC(C)C,0,GDB ChEMBL
177865,CCCC1C([NH3+])CC2OC21C,0,GDB ChEMBL
277133,CC1C([NH3+])C(O)C(C)N1C(=O)C(O)C(O)C[NH3+],0,GDB ChEMBL
315205,CC(CCCC#N)CCC1CN1C,1,GDB ChEMBL
199028,[NH3+]C(Cc1cn2c(n1)CC(O)(CO)C2)C(=O)[O-],0,GDB ChEMBL
119232,Cn1c(C#N)nc(N)c(N)c1=O,1,GDB ChEMBL
246808,COC12C=CC(C(C)CC1)C(O)C2C#N,0,GDB ChEMBL
305599,CC12NC(=O)C3C1C2C1CNC(=O)N13,0,GDB ChEMBL
127222,CC1(C)CC2CC3C[NH2+]C2C3C1,0,GDB ChEMBL
187220,NC(=O)C(O)(CO)C1NCC(O)C(O)C1O,0,GDB ChEMBL
290144,CNC1CC2(CC1[NH2+]C)C(O)C2C(C)=O,0,GDB ChEMBL
171292,CC1C(O)CN2c3ccnn3CC2C2OC12,0,GDB ChEMBL
210937,CCC(C[NH+]=C(N)N)Cc1[nH]nc([O-])c1C#N,0,GDB ChEMBL
354146,CN1C(=O)NC(C(N)=O)C1CO,1,GDB ChEMBL
207735,CC(=O)C1(C)C2CC[NH2+]CCC21,0,GDB ChEMBL
126990,Ic1ccc(OCC2CCCCCC2)c(I)c1,1,GDB ChEMBL
179315,CCCc1ccccc1C1(C)CC1,1,GDB ChEMBL
354726,CCCC(C=O)NCC[NH+]=CN,0,GDB ChEMBL
210198,CC(C)[NH+]=C(N)C(C)(C)NCCCC1CC1,0,GDB ChEMBL
70093,C#Cc1ccc2c(C#CC)c(I)ccc2c1,1,GDB ChEMBL
37630,CC1CC(=O)CC(C)OCCNC(=O)C1,1,GDB ChEMBL
61544,C#CCC1C(O)CCC(OC)(C(C)C)C1CO,0,GDB ChEMBL
288529,CCC(C)C1C2CC(CO)CC[NH2+]C21C,0,GDB ChEMBL
203111,C#CC(CCC)C1CC(C)CC(C)C1O,0,GDB ChEMBL
284770,C[NH+](C)C1(C)CC(c2cc(O)cc(O)c2)C1,0,GDB ChEMBL
234508,C#CC1C2CCC[NH2+]CCC(C)CC12,0,GDB ChEMBL
120829,CC12CCC3(C)C([NH2+]CC13)C(=O)N2,0,GDB ChEMBL
109574,CNC(=O)C1COC1(CC(C)O)C(=O)[O-],0,GDB ChEMBL
314954,CCc1cn2ccnc2c2c1CC(C)CC2,1,GDB ChEMBL
338589,CC1(N)C2(O)CC(C(=O)[O-])[NH2+]C12C,0,GDB ChEMBL
2115,CC1OC(=O)C2(CO)CC2C1C(O)C[NH3+],0,GDB ChEMBL
210441,COCC1=CCC(C)CC(C)C(C)C1,0,GDB ChEMBL
255975,C#CCc1cc(Cl)cc2c1C1CC1(C)C2,1,GDB ChEMBL
29947,C#CC(c1cnc(C)c(I)c1)C1CCCCC1,1,GDB ChEMBL
38583,COCCc1c(O)ccn2c(C)cc(N)c12,0,GDB ChEMBL
19609,Cc1cccc(NC2CCC2)n1,1,GDB ChEMBL
197199,N=C1NC(=O)NC2C(CO1)OC(=O)C2O,0,GDB ChEMBL
34853,CCC1CC([NH3+])C2CC=C(C)CC2C1,0,GDB ChEMBL
25158,C#CCC(C)(C)CCC[NH2+]C1CCCC1CC,0,GDB ChEMBL
133941,CNC(=O)C1([NH3+])CC(C(=O)[O-])C1O,0,GDB ChEMBL
50984,C[NH+]=C(NC(C)C(C)O)N(C)C,0,GDB ChEMBL
25244,NC(=O)n1cncc1CCCCS(=O)(=O)[O-],1,GDB ChEMBL
25146,O=CNC(=O)c1ncn2c1NCC2,1,GDB ChEMBL
223280,NC1C=C(C(=O)[O-])CCC1[NH3+],0,GDB ChEMBL
122915,CC(=O)NC(CC#N)C(=O)CO,1,GDB ChEMBL
64309,Nc1ccc(CO)nc1Br,1,GDB ChEMBL
210993,N#CC1CC(C(C[NH3+])C(N)=[NH2+])OC(N)=N1,0,GDB ChEMBL
114750,CC1CC2(C)CC1CCCCO2,1,GDB ChEMBL
244585,CNC(=O)C1[NH2+]C(C2CCC2)C2COCC12,0,GDB ChEMBL
118453,CCCC1(C)CCCC(C)C(C(C)C)C1(C)C,0,GDB ChEMBL
58480,CC1(O)C[NH2+]CC(NCC(N)=O)C1=NO,0,GDB ChEMBL
89129,CC(=N)N(CC(C)C)c1nccs1,1,GDB ChEMBL
81753,C#CCCC(O)(CCCCC)CC1(C)CC1,1,GDB ChEMBL
62788,Cc1c(Br)ccc2c1C1C=CCC(C2)C1,1,GDB ChEMBL
65604,C#CC(O)C1NC1CCS(=O)(=O)NCCC,0,GDB ChEMBL
116606,CNC1C[NH+]=C(NC(C)CCCOC)C1C[NH3+],0,GDB ChEMBL
197203,C[NH2+]C(C(=O)[O-])C(O)C1CC1(C[NH3+])OC=O,0,GDB ChEMBL
362695,CC#CC(C)(C)C(O)C(C)[NH2+]CC(C)C,0,GDB ChEMBL
97145,COC(C)C1C(C(C=O)=N[O-])CC[NH+]1C,0,GDB ChEMBL
9934,CCN(C=N)C(=O)C1(O)CC1,1,GDB ChEMBL
355340,C#CC1COCCC2C(C[NH3+])C[NH2+]C12,0,GDB ChEMBL
231157,CNC(=O)OCC1(O)CC([NH3+])CNC1=[NH+]C,0,GDB ChEMBL
366612,C#CC#CCc1cc(F)cc(F)c1C,1,GDB ChEMBL
208390,C#CCC(C)(O)CC(CC(=O)CC)[NH2+]C,0,GDB ChEMBL
71407,CCCC(C)C1C=CC(C)=CC(C)C1,0,GDB ChEMBL
302436,C#CC1(C(C)CC)COCC=C(C)C1,0,GDB ChEMBL
57251,CC1=CCCC12Cc1cc(C)c(F)cc1C2,0,GDB ChEMBL
367764,N=C1CNC(=O)N1C(=N)NCC(=O)[O-],1,GDB ChEMBL
380324,CNC(=O)c1ccc2n1C(C1(C)CN1)CC2,0,GDB ChEMBL
34863,NC(=O)c1ccnc(I)n1,1,GDB ChEMBL
217135,CN1CCC(=O)C(C)(O)C(=O)N(C)CC1,1,GDB ChEMBL
124098,N=C(N)C(=O)NC1(C(=O)[O-])CC1,0,GDB ChEMBL
390082,CCCc1c(C)c(CO)cc(O)c1Br,1,GDB ChEMBL
56641,CC1CCC(C)[NH+]2C(C)C(CC1O)CC2(C)C,0,GDB ChEMBL
134441,CCCC1(CC([NH3+])CO)CC=CCC1,0,GDB ChEMBL
30331,O=C([O-])C1COC2OCC(C1)C2O,0,GDB ChEMBL
9690,CCN1C(=[NH2+])NC(C#N)C1C(N)=[NH2+],0,GDB ChEMBL
28305,CC1(O)CN(CCO)C1,1,GDB ChEMBL
347876,C#CC1(C(=O)OC)CCOC(C(N)=O)C(=O)O1,0,GDB ChEMBL
132729,C[NH2+]C(CCC1CN1C)C(C)=O,0,GDB ChEMBL
5244,CCC([NH3+])c1[nH]ccc1C(C[NH3+])CC(C)(C)O,0,GDB ChEMBL
362052,CC(O)CCC1C(CC(C)O)COC1C,0,GDB ChEMBL
147210,O=C(CO)NC1C(=O)NC(=O)C1O,1,GDB ChEMBL
322861,C#CCN(C)C=[NH+]C(C)C,0,GDB ChEMBL
18808,N#CC#CCC1CCCC(C[NH3+])C[NH2+]1,0,GDB ChEMBL
355785,CCC[NH2+]C1CC(CC)CC(C)(C(C)C)C1,0,GDB ChEMBL
214859,CC1C(CC2CC[NH2+]CCO2)COCC1(C)C,0,GDB ChEMBL
213990,C1CC2(C[NH2+]C3CC3)CCC1CC2,0,GDB ChEMBL
378113,CCC1CC2CCC(C1)C(C(C)CC(C)C)C2,0,GDB ChEMBL
302305,Cn1nc2c(c1O)OCCCCN2,1,GDB ChEMBL
240468,CC1(C)OCC(O)C([NH3+])C1O,0,GDB ChEMBL
21733,C[NH2+]C1C(N(C)C)C2CC1(N)COC(=O)C2C,0,GDB ChEMBL
394251,C#CC1(c2ccccc2)C(C)CC1O,0,GDB ChEMBL
358899,N#CC(CO)(CS(=O)(=O)[O-])C(=O)[O-],0,GDB ChEMBL
279091,CCC(O)C1C(C)C2CC(C)C(C)(C2)C1(C)C,0,GDB ChEMBL
59679,CCCc1c(I)ccc2c1OC1CCC2C1,1,GDB ChEMBL
339250,C#Cc1cnc2cc(C(N)=[NH2+])ncc2c1Br,0,GDB ChEMBL
141729,CC(CC1CCC(=O)O1)CC(C)(C)[NH3+],0,GDB ChEMBL
173688,NC(=O)COCS(=O)(=O)CCc1nccs1,1,GDB ChEMBL
241111,C#CC1(c2c(C)cccc2I)COCC1CC,0,GDB ChEMBL
8745,CC12C[NH2+]CCCC(=O)NC(C1)C(C=O)C2=O,0,GDB ChEMBL
391796,CCC(O)CNS(=O)(=O)CC=O,1,GDB ChEMBL
384790,CCCC([NH2+]CC)c1cc(Br)c(C)nc1Br,0,GDB ChEMBL
101527,Cc1cc(Br)cc(C(=[NH2+])N(C)C(C)C)c1C,0,GDB ChEMBL
217401,CCC([NH3+])C1([NH+](C)C)CC1,0,GDB ChEMBL
354433,CC#CC(OCC[NH3+])C(=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
108132,COCCN=C(C)Nc1c([O-])noc1C,0,GDB ChEMBL
13862,CC1CC2OCC(C(C)[NH2+]1)C(C)(C#N)C2=O,0,GDB ChEMBL
249546,CCC1(C)C[NH2+]CC2(CC2)C1,0,GDB ChEMBL
295860,COC(C(O)CO)C(C(=O)[O-])C1N=CNC1=N,0,GDB ChEMBL
225819,C#Cc1c(F)cc(C(C)C)c(C)c1F,1,GDB ChEMBL
398802,CN1C(=O)NC23CC(CO)OCC2C13,0,GDB ChEMBL
140105,CC1C=C(C=O)N(C)C(=O)CCC1C1CC1,0,GDB ChEMBL
314940,COC1C2(C)C[NH2+]CC12OC(=O)C(C)N,0,GDB ChEMBL
280289,COCC1(C)CC2CCOCCC2CCC1O,0,GDB ChEMBL
125612,O=CC12OC1C(O)C(=O)NC2C(=O)[O-],0,GDB ChEMBL
132496,CC1(O)CC(CO)C([NH3+])C2OCOC21,0,GDB ChEMBL
376991,CCNC1=[NH+]CC2(OCC)C(=O)OC(OC)C12,0,GDB ChEMBL
240808,N#Cc1nnn(CCC(O)C[NH3+])n1,0,GDB ChEMBL
388392,CC1CCC(=O)NCC(=O)N1,1,GDB ChEMBL
38477,CCCC1(C)CC(C)C[NH2+]C1C1CC1,0,GDB ChEMBL
230395,CC=C1CCC(C=CCCCC)C1,1,GDB ChEMBL
254890,CC(C)CS(=O)(=O)NC=NCCC(C#N)C[NH3+],1,GDB ChEMBL
190054,CC(C)C(O)COCC[NH3+],1,GDB ChEMBL
236651,CCC1=CCC(CO)OCC1,0,GDB ChEMBL
34172,CC1COCC2(C)CCC(CC2)[NH+](C)C1,0,GDB ChEMBL
378613,C[NH2+]CCC(Cc1ccon1)C1CCC[NH2+]1,0,GDB ChEMBL
335487,CCC12CC(C)C[NH2+]C(C1)c1ccc(Cl)cc12,0,GDB ChEMBL
161029,CC1([NH3+])C(=O)NC=C1C(=O)[O-],0,GDB ChEMBL
350258,O=C([O-])C[NH2+]C1C2OC(OC2=O)C1O,0,GDB ChEMBL
142893,CN1CC(CC(=O)[O-])N(C(N)=[NH2+])CC(=O)C1=O,0,GDB ChEMBL
136687,CCCCC#CC1C2CC1C(C)C2C,0,GDB ChEMBL
22050,COC(C)C1C2C(CO)C3CC(C12)[NH+](C)C3,0,GDB ChEMBL
296094,CCNC(=[NH2+])Nc1oncc1C[NH3+],0,GDB ChEMBL
307570,CN1C(=O)OC2(CO)CCC(CC#N)C12,0,GDB ChEMBL
26442,CC([NH3+])C1(C)C=Cc2ccccc2CC1,0,GDB ChEMBL
379672,CCNc1c(C2([NH3+])CC2)cc(=[NH2+])[nH]c1C,0,GDB ChEMBL
303895,CC(=N)OC(=O)NCC(C#N)NCCC(C)[NH3+],0,GDB ChEMBL
197420,COC1(C)C=CC2CC2(C)C(NC(N)=O)C1,0,GDB ChEMBL
98594,CC(C)(CC1CC1)C1C[NH2+]CC(O)C1(C)C,0,GDB ChEMBL
12830,O=C([O-])C1[NH2+]C2C3C=CC(C3)C12,0,GDB ChEMBL
1514,CCc1c(C(N)(C[NH3+])C[NH3+])cc(C(C)C)n1C,0,GDB ChEMBL
287302,CC1CCOC2C[NH+]1CC2N,0,GDB ChEMBL
46015,Cc1ncscc(C[NH3+])c2c(c1N)CC(O)C2,0,GDB ChEMBL
105075,CC[NH2+]C(C)(C)C1CNC(=O)CO1,0,GDB ChEMBL
234261,CC1CCCC12CC[NH2+]C2,0,GDB ChEMBL
48206,C#CCC(=O)NC(C)Cn1cccc1C(N)=O,1,GDB ChEMBL
204831,C#Cc1cc2c(cc1Br)C(CC)CC(C)CC2,0,GDB ChEMBL
143515,Cc1ncc(Cl)c(Cl)c1[O-],0,GDB ChEMBL
195196,C#CCC(CC#C)CCC1CC(C)CC(C)C1,0,GDB ChEMBL
94887,CCC12CCC(CN(C)C)[NH2+]C(CCCO1)C2,0,GDB ChEMBL
342588,CC1C(C)C2(C)Cc3cccc(Cl)c3C12,0,GDB ChEMBL
255982,CC1(O)C(CCO)NC(=O)C(N)C1(C#N)CO,0,GDB ChEMBL
17288,Cc1nc(=O)cc(NCC([NH3+])CCO)n1C=O,0,GDB ChEMBL
127534,CC1CC=C(CO)CCC[NH2+]1,0,GDB ChEMBL
190397,CCC1CC(O)C2(COC2)C2CN12,0,GDB ChEMBL
169465,CC[NH+]1C(C)C=CC1(C)C,0,GDB ChEMBL
305582,C[NH2+]CC1CN2C(C=O)C2C(C)NC(=O)O1,0,GDB ChEMBL
130430,O=C1CC2CC3(CO)CC2CC3N1,0,GDB ChEMBL
9948,CCCC1C=CCCC12COC(CC)C[NH2+]2,0,GDB ChEMBL
212594,C#CC1CC(c2cc(F)ncc2COC)CO1,0,GDB ChEMBL
288536,NC(=O)C1C2C=CC(OC2)C1O,1,GDB ChEMBL
359054,CC1(C(N)C(N)=O)C(=O)OCOCC1O,0,GDB ChEMBL
250610,C[NH2+]CC1C=CC(=O)NCC#CC1(C)C,0,GDB ChEMBL
12789,CC1C([NH2+]CCC[NH2+]CCO)C(C)N2CC12,0,GDB ChEMBL
50964,Cc1cnc(=O)cc(C2CN(C)C2)c1,0,GDB ChEMBL
151831,CN(C1CCC1)C1(C)C[NH2+]C1,0,GDB ChEMBL
304280,[NH3+]CC1CC2NC(=O)NC2C2OC12,0,GDB ChEMBL
304585,CCCC12CC(CO1)C(=O)C21COC1,0,GDB ChEMBL
339087,N=C1NC(=O)C(O)C2(CO)C(CN)N12,0,GDB ChEMBL
255514,[NH3+]CC1C(C(=O)[O-])CC2OC21,1,GDB ChEMBL
132992,Cc1cc(N)cc(Br)c1CCCCC(C)(C)C,1,GDB ChEMBL
318754,C#CCN(C=O)C(C)C(=O)OC,1,GDB ChEMBL
363026,CC(C)(O)CNc1nc(O)cc(=N)n1C(N)=O,0,GDB ChEMBL
275604,CC(O)C1C2CC([NH3+])C(C2)C1C,0,GDB ChEMBL
21564,C#CCC1CC(Cc2c(C)ncn2CC)C1,0,GDB ChEMBL
249562,[NH3+]C1C2CC(C(=O)NC(=O)O2)C(O)C1O,0,GDB ChEMBL
182526,CC1OCC2(C#N)CCC1CC([NH3+])C2,0,GDB ChEMBL
255096,CC1C([NH3+])C2CNC1C(O)C(=O)O2,0,GDB ChEMBL
185914,[NH3+]CCC[NH+]1CC2CC2(O)C1,0,GDB ChEMBL
340145,CCCCC1OCC2(O)C([NH3+])CC12,0,GDB ChEMBL
303918,CC1CC2CCCCC(C)(C(C)C)C2C1,0,GDB ChEMBL
75420,Cn1nc(N)nc1C(CO)NC(N)=[NH2+],0,GDB ChEMBL
260583,OCC1CCC2CC([NH2+]1)C1CCC=CC2O1,0,GDB ChEMBL
155825,CNC(=O)Cc1c(F)cc2c(c1F)CC(C)C2,1,GDB ChEMBL
261409,CCC1CC(CC)C(C(C)(C)C)CC1C(C)C,0,GDB ChEMBL
104976,CC1CN(C(=N)N)C1=O,1,GDB ChEMBL
4754,CC1C(CO)C=CCC[NH+]1C,1,GDB ChEMBL
76924,CN(CC[NH3+])Cc1ncc(=O)[n-]c(=O)n1,0,GDB ChEMBL
352580,Cc1cnc(NC(C)C(=O)C(=O)[O-])n1CCO,0,GDB ChEMBL
29433,CC1(C)CC2CC2CCCC2CC=CCC21,0,GDB ChEMBL
224002,Oc1cccc2c1CC1OCCC=C21,1,GDB ChEMBL
240389,CC1C2CC3[NH+](C2)C1CC3(C)O,0,GDB ChEMBL
221945,CC(C=O)(Cn1c(N)[nH+]c2c1CCN2)C(N)=O,0,GDB ChEMBL
299183,C#CCC(=C)C(=C)CCC(=O)OC,1,GDB ChEMBL
181182,C#Cc1c(F)c(C)c(F)c2cc(C)cc(C)c12,1,GDB ChEMBL
318403,[NH3+]Cc1cc2n(c1)CCC2,0,GDB ChEMBL
235970,C[NH2+]C(C)C1C(N)C1C[NH3+],0,GDB ChEMBL
221953,CNc1cnc(C)ccc(C)c(C)c(C=O)n1,0,GDB ChEMBL
36172,C#Cc1cc(NC(N)=O)no1,1,GDB ChEMBL
396107,CC12CC3C[NH2+]CC3C([NH3+])(CO)C1NC(=O)O2,0,GDB ChEMBL
126876,CCc1cc(OC)ncc1C(C[NH2+]C)=N[O-],0,GDB ChEMBL
393953,CC(COC(=O)C(C[NH3+])CO)Cc1ccoc1,1,GDB ChEMBL
255512,CCCC1COC(C)=NCCO1,1,GDB ChEMBL
65885,CC([NH3+])COCC1(C[NH3+])C(O)C1O,0,GDB ChEMBL
218316,C#CCC1CC2C3CC3[NH+](CCC)C2C1O,0,GDB ChEMBL
375164,O=C([O-])C1NC(=O)N2C1CC(O)C1OCC12,0,GDB ChEMBL
47564,CC(=O)C1(C)CC2CCCCC(C1)C2C,0,GDB ChEMBL
43910,CC1CC2OC(C(N)=O)C1C2OS(N)(=O)=O,1,GDB ChEMBL
250607,CCC1CC2C3c4c(F)cccc4C1C23,0,GDB ChEMBL
318097,CCOc1c(C)ncc(Cl)c1C=O,1,GDB ChEMBL
378110,CC1CC(O)CC(C(N)=O)C2CCCOC12,0,GDB ChEMBL
252917,CCC1C[NH+]2CCC1C1C(C)C(O)C(O)CC12,0,GDB ChEMBL
25131,C#CC1C2CCC[NH2+]C(C2)C1CC,0,GDB ChEMBL
298071,CC1C(C)C1(C[NH3+])C[NH3+],0,GDB ChEMBL
281792,C#Cc1c(CC(C)C)cc(Cl)cc1CC(C)C,1,GDB ChEMBL
204631,CC=CCC1(C)CCC(C)CC1[NH3+],0,GDB ChEMBL
197443,CN1CCC(O)C[NH+]=C1C(CO)C(=O)[O-],0,GDB ChEMBL
39964,NC(=O)C([NH3+])C(O)C(C[NH3+])C(O)C[NH3+],0,GDB ChEMBL
187235,CCCCCC1CC2C(C)C(C)CC1C2(C)C,0,GDB ChEMBL
108676,CC1CC2CC2NCC[NH+]1C,0,GDB ChEMBL
216552,CC(=O)OCCS(=O)(=O)NCC=O,1,GDB ChEMBL
174663,CN(C)C(=O)c1cc(=[NH2+])[nH]cc1S(=O)(=O)[O-],1,GDB ChEMBL
199423,Cc1cc2c(c(F)c1F)C(C)N(C1CC1)C2,1,GDB ChEMBL
74293,C[NH2+]CC(C)N(CC[NH3+])C(CO)c1cnn[nH]1,0,GDB ChEMBL
264933,CCC1C(C)C(CC(C)C)C2C(C)CCCC12,0,GDB ChEMBL
225073,CCCC(C)C([NH3+])C1C(C[NH2+]C)NCC1OC,0,GDB ChEMBL
244299,COCC1(C[NH3+])CC(C)(Cc2ccon2)C1,0,GDB ChEMBL
372782,CC(CC(C)(C)CO)C1(O)CC[NH2+]CC1O,0,GDB ChEMBL
312514,O=S1(=O)NCCC2CC(O)C(CO)C21,0,GDB ChEMBL
344285,C#CC1OCC=CCC1[NH+](C)CC,0,GDB ChEMBL
62071,Cc1c(Cl)cccc1OC=N,1,GDB ChEMBL
218605,CC(C)CC(CC(C)C)C1(C)CC=CC1,0,GDB ChEMBL
210943,[NH3+]C12CCOC(C(=O)NC(=O)NC1)C2O,0,GDB ChEMBL
38190,CCCC1CC(n2cccc2)CC1NC(C)=O,0,GDB ChEMBL
294740,CC#Cc1cccc2c1CCC1(C)CC1C2,1,GDB ChEMBL
176405,CC1(O)CCCC(C2CC2C(C)(C)C)C1,0,GDB ChEMBL
28150,C=C(C)C1=CC[NH+]2CCC(C1)C2C,0,GDB ChEMBL
353531,CC1CC2C(C1)C1C(C)CCC(C)C21,0,GDB ChEMBL
362599,CC(CC(NC=[NH2+])c1cccn1C)OCCO,0,GDB ChEMBL
213975,CC(C)C12CCCCC(CC(O)CC1)C2,0,GDB ChEMBL
144554,CNC(=[NH2+])NC(=O)N(CCOC)CC(N)=O,0,GDB ChEMBL
305612,CC1CC(=N)OCCC1[NH+]1CCC1,0,GDB ChEMBL
23443,CC1C([NH2+]CC(N)=O)C(O)C(=NO)C1(C)O,0,GDB ChEMBL
118136,O=C1CC(O)C(CO)C1,1,GDB ChEMBL
383771,COC1C(C(C)C#N)C(O)CC(O)CC1(C)O,0,GDB ChEMBL
307598,COC1CC(C)CCC2(C)CCC(C)C12,0,GDB ChEMBL
138346,Nc1nc(CC=O)c(N)c(O)c1CC(=O)[O-],0,GDB ChEMBL
97228,Cc1c(C(F)(F)F)ccc2cc(N)c(Br)cc12,1,GDB ChEMBL
176400,C#CC1=CCC(C(C)C)CC=CCC1,0,GDB ChEMBL
50242,CCC1OC(C=O)CCCC(C[NH2+]C)C1(C)O,0,GDB ChEMBL
355160,CCC1OCC(C[NH2+]C)C2CC=CC2C1O,0,GDB ChEMBL
18390,CC(CO)[NH+]1CC2CC1C2CC(=O)[O-],0,GDB ChEMBL
48707,CC1CC=CC(C(C)(C)O)C1OC(N)=[NH2+],0,GDB ChEMBL
378890,CC(C[NH3+])NC1C(C[NH2+]CCO)COC1C[NH3+],0,GDB ChEMBL
127918,O=C1NC2C(O)C1COC(=O)C(C(=O)[O-])C2O,0,GDB ChEMBL
16743,CCCCC1N(CCO)CC(C)C1(C#N)C#N,0,GDB ChEMBL
29919,CCCC(C#CCC(C)CC)CC,1,GDB ChEMBL
204547,CC12CC[NH2+]CC3OC(=O)CC1(O)C32,0,GDB ChEMBL
384286,C[NH2+]C1C(N)CC(=O)NCC1(N)C1CC1C,0,GDB ChEMBL
379686,CNc1ccc2c(nc(CO)n2C)nc1=O,0,GDB ChEMBL
307991,CC(C)n1cccc1CNC(=N)C(F)(F)F,1,GDB ChEMBL
2978,C1COCC2CC3CC2C[NH2+]C3C1,0,GDB ChEMBL
275563,O=S1(=O)NCCC(O)C2OCC1C2CO,0,GDB ChEMBL
229466,CC#CC1(OC(N)=O)CCOC1,1,GDB ChEMBL
7428,CCCc1c(C)cc(CC(C)CC)c(Cl)c1C,1,GDB ChEMBL
362177,COC1C(O)C=CC2CC21C,1,GDB ChEMBL
282212,CC(=O)NC(C(N)=O)C(=N[O-])C(=O)CC=O,0,GDB ChEMBL
321402,C[NH2+]C(C)Cc1c(CO)nsc1C[NH3+],0,GDB ChEMBL
331470,[NH3+]CC1CC2OC3CC(C[NH3+])C2C13,0,GDB ChEMBL
366914,C[NH2+]CC1NC(C(O)C(=O)OC)C1O,0,GDB ChEMBL
398962,CCCC1CC2C=CC1CO2,0,GDB ChEMBL
47210,CC(O)C1C(C)NC(C(N)=[NH2+])CCC12CO2,0,GDB ChEMBL
165974,CCC(C)(C)CC(O)CCc1ccc(Br)cc1,1,GDB ChEMBL
66617,NS(=O)(=O)CN1CCCOC1=O,1,GDB ChEMBL
151708,C[NH2+]C1CCC2CCOC(=O)CC(O)CC21O,0,GDB ChEMBL
147264,CC(C)CCc1ccc(C2CC2)c(Br)c1O,1,GDB ChEMBL
397922,Cc1n[nH]cc1C(C)(C)[NH3+],0,GDB ChEMBL
41087,CC(O)C(CO)CC1CC1,1,GDB ChEMBL
214911,COC(=O)NC1(C#N)CNC=[NH+]C1CO,0,GDB ChEMBL
35672,CC1CNC(=O)CC(CC(O)C=O)OC1,1,GDB ChEMBL
246417,C#CC(CC)CC(C)CC1CCCCC1CC,1,GDB ChEMBL
137407,CC(=O)NC1CC(C#N)=CC1CO,0,GDB ChEMBL
298020,N=C1NCCC2C3C(O)C3C(=O)N12,0,GDB ChEMBL
137098,CC1OC(C(=O)[O-])S(=O)(=O)NCC1[NH3+],0,GDB ChEMBL
347008,CCCC1CCN(C(C)(C)CO)C1(C)C#N,1,GDB ChEMBL
379115,C#CC(C)(N)C[NH2+]C1CCC(C[NH+](C)C)C1C,0,GDB ChEMBL
190108,CC1CCN(C)C2C[NH2+]C1C1OC12,0,GDB ChEMBL
104666,CC(C)C1C2C(CC#N)C(C[NH3+])CN12,0,GDB ChEMBL
265526,C[NH2+]CC(C(O)CO)C1CC1,0,GDB ChEMBL
189866,CC1CCC(C)C2C(C)C[NH2+]C12,0,GDB ChEMBL
152614,CCC(O)C1C[NH+](C)CC1C(C)(C)C(N)C#N,0,GDB ChEMBL
255990,C[NH2+]C(C)C1[NH2+]CCC1C1COCC(=O)CO1,0,GDB ChEMBL
183452,COC(=O)C1NC(=O)C([NH3+])C(N)CC1[NH3+],0,GDB ChEMBL
267364,CNC(=O)CNC1C(=N)OC1C[NH3+],0,GDB ChEMBL
363252,CC[NH2+]CC(C)CC1CCCC1CC(C)CC,0,GDB ChEMBL
132241,CC(=NO)C1OC(=[NH2+])NCCC1NC(N)=O,0,GDB ChEMBL
372646,CC(C#N)Cn1cc(OCCO)cc1N,1,GDB ChEMBL
214896,C[NH2+]C1CC2C=C3CC(=O)CC3C(C)(C2)C1,0,GDB ChEMBL
260696,CCN1Cc2c(C)cnc3c2C1C([NH2+]C)C3,0,GDB ChEMBL
151168,CC1(C)CC2CCOC(C2)C1O,1,GDB ChEMBL
300197,CCC1Cc2cccc3c2C1C(C)(C)C3,0,GDB ChEMBL
133302,C#CCC(C)C(C)OC(C)C(CC)OC,1,GDB ChEMBL
362356,CCOC1CC1(C[NH3+])C(N)=O,0,GDB ChEMBL
376656,CCC(C)(CCCCC1CC(O)C1)[NH2+]C,0,GDB ChEMBL
291937,CCc1cc(C(N)=O)[nH]c1CO,1,GDB ChEMBL
123017,CCCc1ncc(CCCC(C)C)o1,1,GDB ChEMBL
352231,CC(CO)C[NH2+]C1CC(=O)C1,0,GDB ChEMBL
314111,CCCC1CCC(C(C)(C)C)C1(C)CC,0,GDB ChEMBL
335457,CCCC12C=CC[NH2+]C1C2OC,0,GDB ChEMBL
110188,C#CC1=CCC(CC(C)CCCC)C1,1,GDB ChEMBL
70107,C#CC(C)(CO)c1ccc(Cl)c(CC)c1,1,GDB ChEMBL
307986,COC(CO)CNc1nc(N)ns1,1,GDB ChEMBL
228334,CC1NC(=O)C=CC1C(O)CN1CC1,1,GDB ChEMBL
348655,CCC(C)C(O)CC#CC(C)O,1,GDB ChEMBL
283983,CCCC12CCC(C1)C(c1ccccc1F)C2,1,GDB ChEMBL
36013,CC=C(C(=O)N1CC([NH3+])C1)C1CC1,0,GDB ChEMBL
151788,O=C1OC2C[NH2+]CCNC1CC(O)C(O)C2,0,GDB ChEMBL
222830,CC1(CO)CC2COCC2C1,1,GDB ChEMBL
343247,CCCC12C=CC(C)C1CCC=C2C,1,GDB ChEMBL
293857,CNC(=O)C1CCC2([NH3+])C(N)C12O,0,GDB ChEMBL
190240,[NH2+]=C1COC(=O)C=CCCN1,0,GDB ChEMBL
244551,CCOC(=O)N(C=N)C(N)=O,1,GDB ChEMBL
21537,Nc1nc(O)c2c(c1[N+](=O)[O-])CNCC(=O)C2,0,GDB ChEMBL
267377,NC1(C[NH3+])C2NC(C(=O)[O-])CC(O)C21O,0,GDB ChEMBL
147545,NC1C(=O)OC2(C[NH3+])CC([NH3+])C(=O)NC12,0,GDB ChEMBL
358415,C[NH+](C)C1CC(O)C(CO)N=C1N,0,GDB ChEMBL
152072,CC(=O)C1[NH2+]CC(C)=CCC1CO,0,GDB ChEMBL
121968,CCCC#CCC1CC1C(C)CC,1,GDB ChEMBL
169066,O=CNC(=O)C1OCC2CC21CO,0,GDB ChEMBL
157693,[NH3+]CC1C2OC2C(CCO)C1C(=O)[O-],0,GDB ChEMBL
304019,CCC[NH2+]C(C)c1ccc(O)ncnc(C)s1,0,GDB ChEMBL
130622,CC(CO)C(C=O)C(C)CC#N,0,GDB ChEMBL
238004,COCC1CCC2(C)CCC1C(C)[NH2+]2,0,GDB ChEMBL
240373,CC1C2C(=[NH2+])NCC2(CC(N)=O)C2CCC[NH+]12,0,GDB ChEMBL
339987,C#CC(CCC)C[NH2+]C1(C)CC=CC1,0,GDB ChEMBL
308237,CCC(CC)C1=CCCC12CCCCC2C,1,GDB ChEMBL
13124,CC1=CCC2CC(O)(C1)CC(C)OC2C,0,GDB ChEMBL
11032,CCC(C)C([NH3+])CC1(O)C2[NH2+]CCC21O,0,GDB ChEMBL
309796,CCc1c(C)cc(C2CC2)cc1OC,1,GDB ChEMBL
201386,CC(O)C1C(O)COC(=O)NC1C,0,GDB ChEMBL
313715,Cc1cc2ccccc2c2c(C)ccc(I)c12,1,GDB ChEMBL
391621,CC1CC=CCOCC#CCC(=O)C1,1,GDB ChEMBL
348451,[NH3+]CCC1(O)CNC(=O)C2NC21C(=O)[O-],0,GDB ChEMBL
104377,CC1C=CC2CC12Cc1cccc(Br)c1,0,GDB ChEMBL
180982,CC(=O)N1CCC2C(C)([NH3+])C21C[NH3+],0,GDB ChEMBL
152622,[NH3+]CC1OC(CO)CN(C=O)CC1O,0,GDB ChEMBL
391499,NC1C(CO)NC(=[NH2+])OC1C[NH3+],0,GDB ChEMBL
257966,CCC1CC[NH+]2CCC#CCCC=CC2C1,0,GDB ChEMBL
277776,CCCC1c2nc[nH]c2CCC1C[NH3+],0,GDB ChEMBL
203504,CCC(C)CC1(CC[NH3+])CC=CCCC1,0,GDB ChEMBL
210704,CCC1(C)CC2CC(C)[NH2+]CC2CC1C[NH2+]C,0,GDB ChEMBL
77745,C[NH+]1CC=Cc2occc2C1,0,GDB ChEMBL
9784,Cc1ccc(=O)n(C)c1C,1,GDB ChEMBL
74318,CC[NH+](CC)C1COC(C(C)C)CCC([NH3+])C1,0,GDB ChEMBL
324062,CCCC1NCC(N)=[NH+]C(C2CC[NH2+]C2)C1=O,0,GDB ChEMBL
186711,CCC(CC)c1c(F)cc(F)c2cc(C)sc12,1,GDB ChEMBL
120719,CC12NC(=O)OC1C2NC(N)=O,0,GDB ChEMBL
132330,CCC12CC[NH2+]C(C)CC[NH+](C1)C2,0,GDB ChEMBL
317559,CNC(=O)C1C([NH3+])C(O)CC1(O)c1cnns1,0,GDB ChEMBL
385928,COCC1(C(C)([NH3+])CO)COC(=O)N1C,0,GDB ChEMBL
222181,C#CC1(C)CCCc2c(Br)ccc(CC)c2C1,1,GDB ChEMBL
243358,C[NH2+]C1C=CCCCC=CC1,0,GDB ChEMBL
270052,Cc1ccc(OCC#N)c(N(C)CC#N)c1Cl,1,GDB ChEMBL
27986,C#CC1C(=N)OC(CC[NH3+])C1C[NH+](C)C,0,GDB ChEMBL
83528,CC(C(=O)[O-])N1CC1C(=O)NCC(=O)[O-],0,GDB ChEMBL
344340,C[NH2+]C(C[NH+]=CN)CC(O)(C[NH+](C)C)C(N)=O,0,GDB ChEMBL
281811,COC(C)C1(O)CC1C(CC[NH3+])[NH+](C)C,0,GDB ChEMBL
124794,CC12CC([NH3+])CC(O1)C1CC[NH2+]C1C2,0,GDB ChEMBL
9951,CCOC1CC1Cn1nccc1CC(N)=O,1,GDB ChEMBL
215302,COCCOC1C(C#N)=CCC1O,0,GDB ChEMBL
300519,C#CCc1cn(CCCCC)cc1O,1,GDB ChEMBL
156000,CC1CC(O)CN(CC2CN2C)C1=O,1,GDB ChEMBL
275689,C#CCC(C)[NH+](CCCC)C1(C#C)CC1,0,GDB ChEMBL
209713,CCC(=O)Nc1c(C2CC2C)nsc1C=O,0,GDB ChEMBL
372523,CCCCC1C2CC(C)CC(C2)C1(C)C,0,GDB ChEMBL
53257,O=CCC1CC([NH2+]C2CCCOC2)C1,0,GDB ChEMBL
288664,NC(=O)C12NC(N)=[NH+]C(C(=O)[O-])C1C2N,0,GDB ChEMBL
201147,C#CCOC1C(C[NH3+])CC(CC)C1(C)[NH+](C)C,0,GDB ChEMBL
29215,C#CC1C(=O)NCC1(CC)C(C)(C)C,0,GDB ChEMBL
348658,CN(C=O)CCC1CC2(CCCC2O)CC1[NH3+],0,GDB ChEMBL
112854,NC1=NCC(=O)N1C1C(=O)OCC1O,1,GDB ChEMBL
274379,CC[NH2+]C(C)C1=NCCO1,1,GDB ChEMBL
137114,CC(C)C([NH2+]C(C)(C)C)c1cc(I)ccc1N,0,GDB ChEMBL
363237,C#CC1CC(C(=O)N(C)C)=CC1(C)C,0,GDB ChEMBL
54850,O=C([O-])C1[NH2+]C2(CC2)C2C1CNS2(=O)=O,0,GDB ChEMBL
55545,CC1(C[NH3+])CCC2NC(C(N)=O)C21C#N,0,GDB ChEMBL
9816,CC(=O)C1CCC(C)(CC(N)=O)[NH2+]1,1,GDB ChEMBL
215470,C=C1C(=O)NCCC2C([NH2+]C)C12N,0,GDB ChEMBL
197021,CC1CC(C)C2(C)CC[NH2+]CCC[NH+]12,0,GDB ChEMBL
59664,N#CC1[NH+]=C(N)C2COC(=N)NC1(C(=O)[O-])C2,0,GDB ChEMBL
280986,CC1CCC=CCC2C3CCC(C3)C12,0,GDB ChEMBL
300969,C#CC1CC(C(F)(F)F)C(OCCC)CC1C,0,GDB ChEMBL
22815,CC(=O)OCC(C)C(C)C[NH2+]C1CC1,0,GDB ChEMBL
217378,COC(C)(C)C1CCC2C1C(C)(CO)C[NH+]2C,0,GDB ChEMBL
165970,CCCC(=O)C1(C)CCCCN1C(C)=[NH2+],0,GDB ChEMBL
113528,CC1CC2OC(=O)C1(N)C2(C[NH3+])C(=O)[O-],0,GDB ChEMBL
140159,CC([NH3+])C12C[NH2+]CCC1COC2C[NH3+],0,GDB ChEMBL
72394,CCCC1CC(C(C)(C)[NH+](C)CC)C1,0,GDB ChEMBL
99808,CCNC(=O)c1cc(C(O)C#N)c(N)oc1=O,0,GDB ChEMBL
16001,CCCCOC(=N)CCC(C)CC=O,1,GDB ChEMBL
21578,C[NH2+]C1C(N)C(C(N)=O)C(C(N)=[NH2+])C1O,0,GDB ChEMBL
316482,COC1(C)C2CC(CO2)C1O,1,GDB ChEMBL
203427,CNC(C#N)C1CC(C)C2CN21,0,GDB ChEMBL
388413,COCC(C#N)C(N)C(O)C(C)O,1,GDB ChEMBL
115242,CC(CO)[NH2+]CC1CC2CN2C(C[NH3+])C1O,0,GDB ChEMBL
53047,CC1(C)CCC2(CC3CCCCC(CC3)C2)C1,0,GDB ChEMBL
83529,CC1(CO)NC(=O)C2CC1C2,0,GDB ChEMBL
53283,CC1CC=CCC1(CN)[NH2+]C1CC1,0,GDB ChEMBL
294232,NC(=O)COCCOCc1nsnc1[O-],0,GDB ChEMBL
300563,C[NH2+]C(CC=O)C(=O)[O-],1,GDB ChEMBL
330732,CCC1[NH2+]C2CC1C(C)CC2C,0,GDB ChEMBL
27806,Cc1cc(OCC2CC(=O)C(O)C2)c[nH]1,1,GDB ChEMBL
166448,NC1C[NH2+]C2C(O)C(O)C(=O)NCC(=O)NC12,0,GDB ChEMBL
280898,Cc1cccc(OS(N)(=O)=O)n1,1,GDB ChEMBL
184919,C#CC1C2OC(C)CN(C)C12,0,GDB ChEMBL
25247,CCc1nccsc(C)cc2cn[nH]c12,0,GDB ChEMBL
127252,CC1=CCc2c(F)cccc2C(C)CC1,0,GDB ChEMBL
281041,CC(N)=[NH+]C1CNC(=N)NC(=O)C1CO,0,GDB ChEMBL
251477,C#CCc1cnc(Cl)nc1C,1,GDB ChEMBL
112092,CCC(C)N(C=[NH+]C)C(C)C,0,GDB ChEMBL
182899,CCC1CC(C)CC[NH+](CC(C)C)C1CNC,0,GDB ChEMBL
174704,N#CCC(Cn1ccnn1)C(O)C[NH+]=C(N)N,0,GDB ChEMBL
137441,CCC(C)Oc1cc(C([NH3+])CO)oc1C[NH2+]C,0,GDB ChEMBL
31749,[NH3+]CC1CC([NH2+]CC(=O)[O-])CO1,0,GDB ChEMBL
93421,C#CCc1cc(Cl)cc(C(CC)C(C)C)c1C,1,GDB ChEMBL
33204,N#CC(CC(=[NH2+])NCCN)NCC[NH2+]CCO,0,GDB ChEMBL
175675,C#CCNC(N)=[NH+]CCC(N)CNC(N)=[NH2+],0,GDB ChEMBL
41583,CC1=CC(=O)OC(CO)C[NH+]=C(N)NC=C1,0,GDB ChEMBL
274350,[NH3+]CCNC(=O)NCc1nnccc1I,0,GDB ChEMBL
61787,CC(O)CNC1=[NH+]CCNC(=O)C1N,0,GDB ChEMBL
384293,C#CC(O)C(O)C([NH3+])C(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
240407,O=C1NC2C(O)CC3CC1C32,1,GDB ChEMBL
49150,C[NH2+]Cc1cc(F)nc(C(C)[NH2+]C)c1,0,GDB ChEMBL
223565,CC1CC(C)C(C2CCO2)[NH2+]1,0,GDB ChEMBL
262570,O=CC1CC2(C[NH2+]1)COC2,1,GDB ChEMBL
140112,COC1C(N)=NC(C(N)=O)C1(CO)C(=O)[O-],0,GDB ChEMBL
26311,CCN(C)C(=O)C(CCO)[NH2+]C,1,GDB ChEMBL
263977,O=CC1C(=O)NCC(=O)NC2(CO)CN1C2,1,GDB ChEMBL
54078,CCCCC1=CC=CCCC(C)=C1,0,GDB ChEMBL
138408,C[NH2+]CC(=O)NC1CCOC(=O)C1O,0,GDB ChEMBL
179112,O=C([O-])CC(CO)Nc1nn[nH]c1CO,0,GDB ChEMBL
65941,CN1CC2C(CO)OC(=O)C21,0,GDB ChEMBL
34438,N#Cc1ccc(NC(=N)S(=O)(=O)[O-])c(N)n1,0,GDB ChEMBL
33863,Fc1ccccc1C(CC(F)(F)F)C(F)(F)F,1,GDB ChEMBL
288653,Cc1nc(NCCC(=O)[O-])cnc1I,1,GDB ChEMBL
242936,CC(OCC[NH3+])C([NH3+])C1NC1C(N)=O,0,GDB ChEMBL
369276,CC1([NH3+])CC2OC(=O)NC1C2C(N)=O,0,GDB ChEMBL
17432,C#CC(CCCC)c1cc(I)cc(CCC)c1,1,GDB ChEMBL
136414,CCCCC1CCC(C)(C)C(C)CCC1CO,0,GDB ChEMBL
137421,C#CCn1nncc1CC1NC(=O)COC1=O,1,GDB ChEMBL
257505,CN=C(CC(N)=[NH2+])Oc1cc(Cl)c(Cl)c(Cl)c1,0,GDB ChEMBL
218301,C=C(C)Cc1ccc2c(c1)NCC2,1,GDB ChEMBL
360867,O=C1OCC(CCCO)C2C1N2C(=O)CO,0,GDB ChEMBL
301465,NC(N)=[NH+]CC1COC(=O)CC([NH3+])C1O,0,GDB ChEMBL
180795,CCCC(CO)NC(=O)OC(C)(C)C=O,1,GDB ChEMBL
4800,CC#Cc1cc2c(cc1F)C1C(C)C1C2,1,GDB ChEMBL
83153,CCCOc1cc([O-])cc(=N)nc1C(N)C#N,0,GDB ChEMBL
122970,CC(C)c1c(Br)ccn2ncc(NC=O)c12,1,GDB ChEMBL
214405,Nc1nc2c(c(S(N)(=O)=O)n1)OC(=O)NC2,0,GDB ChEMBL
8750,C[NH2+]C1(CCO)CC2=NCC(C)N2C1=O,0,GDB ChEMBL
184490,CC1=CCCC2C(CO)C(C1)C1CC21,0,GDB ChEMBL
17049,NC(=O)C1C2C[NH2+]C1C(O)C(C=O)C2,0,GDB ChEMBL
267929,NC(=O)C(O)C1CNCCS(=O)(=O)N1,1,GDB ChEMBL
370259,CCCN1CC2C[NH2+]CC2(C)C1C([NH3+])C(C)O,0,GDB ChEMBL
16063,C#CC1C2CCC3Cc4c(Cl)cccc4C312,0,GDB ChEMBL
204180,CCCC([NH3+])C1C([NH2+]C)C(C)N2CC12,0,GDB ChEMBL
186715,C[NH2+]C1CC2OC(C1)C2C(C)C(=O)[O-],0,GDB ChEMBL
255973,CC1C[NH2+]C(C(C)(C)C)C1,0,GDB ChEMBL
148874,Cc1noc2c1C1OCC2C[NH2+]C1C,0,GDB ChEMBL
57249,N=C(COCCO)NC(=N)OCCCO,0,GDB ChEMBL
147585,CCC(C#N)Cc1c(I)ccc(C)c1C(C)C,1,GDB ChEMBL
79580,O=CNC(=O)c1nc(C(=O)[O-])co1,0,GDB ChEMBL
236028,[NH3+]C1CCC2(C(=O)[O-])C[NH2+]C12,0,GDB ChEMBL
132977,CCC1(C)CC1C(C)c1c(Br)cccc1Br,1,GDB ChEMBL
385924,CC1=CC(C)[NH+](C)C2CC(C)CC12,0,GDB ChEMBL
288658,CCC1CCC(CC)C1(O)CO,1,GDB ChEMBL
18839,CC1C[NH+](C2CC2C[NH3+])CCN(C=O)C1C,0,GDB ChEMBL
277932,CC1CC2CCCCC([NH3+])CCC1[NH2+]C2(C)C,0,GDB ChEMBL
383015,CCCc1cc2n(c1)CC1CC(=O)OC1CO2,0,GDB ChEMBL
348670,COC(=O)C(N)C(O)CC(=O)[O-],1,GDB ChEMBL
39698,CC(CO)CCCC(C)C(C)C,1,GDB ChEMBL
325274,CC[NH+](C(C)C)C(C)C(C)CCCC(C)(C)[NH3+],0,GDB ChEMBL
77339,CCC1(C)C(C)=CC2(CC[NH2+]C(C)C)CC21,0,GDB ChEMBL
2347,C[NH2+]C1C(C)C=CC(C)C1CC(C)(C)C,0,GDB ChEMBL
89683,CC1CC2CCCCCC1CC2(C)C(C)C,0,GDB ChEMBL
120864,C[NH2+]CC1NC(C(=O)[O-])C1OC(N)=[NH2+],0,GDB ChEMBL
84592,CC1[NH2+]C2C(CC1O)C2C([NH3+])C(=O)[O-],0,GDB ChEMBL
217040,Cc1oc(C)c2c(F)c(O)cc(C3CC3)c12,0,GDB ChEMBL
215451,N=C1C2CC(CO2)N1c1cc(N)cnc1N,0,GDB ChEMBL
157695,CC1(O)C=CCCC2[NH2+]CCCC2(C)C1,0,GDB ChEMBL
51024,CC[NH2+]CC(CO)(C(N)=O)S(N)(=O)=O,0,GDB ChEMBL
208220,CCC(C)OCC1(O)CC=CC([NH3+])C1,0,GDB ChEMBL
207699,Cn1nnc(S([NH-])(=O)=O)c1OCCO,0,GDB ChEMBL
193191,CC#CC1(O)C(=O)N(C)CC(C)C2OC21,0,GDB ChEMBL
288125,CC1CC2C(=O)OC3CC1C2C3,1,GDB ChEMBL
17629,NC(=O)C1CN1c1cscn1,1,GDB ChEMBL
340449,CCCC1(C)CCC(CCCC(C)(C)C)CC1,1,GDB ChEMBL
77845,CC12OC(OC1CO)C(O)C2(O)C(=O)[O-],0,GDB ChEMBL
280750,NC(=[NH2+])c1c(F)cccc1C(=O)CO,0,GDB ChEMBL
305352,CC1c2c(I)cc(C[NH3+])cc2CC1([NH3+])CO,0,GDB ChEMBL
280698,Cc1ccc(CC(C)C)nc1C(C)C=O,1,GDB ChEMBL
267919,Cc1cc(Cl)c(C)c(CO)c1CCC=O,1,GDB ChEMBL
281976,N#CC1(N)CCN(C2=[NH+]CCN2)C1,0,GDB ChEMBL
178027,CCC(O)(CC)C1[NH+]=C(N)NC1CCC(C)=O,0,GDB ChEMBL
148732,CC(C)C1CC1C1CC1C1CCCC1,1,GDB ChEMBL
186678,CN=CN(C(C)=N)C(=O)CC(N)=O,1,GDB ChEMBL
302496,CCC1C=CCC1C1=CCCCCCC1C,0,GDB ChEMBL
308001,CC1[NH2+]CCC2C(C1O)N2C(N)=O,0,GDB ChEMBL
274145,C=CCCCC(C)C1C2CCC1C2,1,GDB ChEMBL
195247,CC1([NH3+])C2NC(=O)C([NH3+])C(C(O)CO)C21,0,GDB ChEMBL
26323,CCC[NH2+]Cc1ccc2c(c1N)NC(=[NH2+])CC2,0,GDB ChEMBL
16031,C[NH2+]C1C(O)C1C(=O)CC(CO)C(C)(C)C,0,GDB ChEMBL
249493,CCN1CCN=C(N)S(=O)(=O)[N-]C1=O,0,GDB ChEMBL
292670,CCC1(O)C=CCCCCCC=CC1,1,GDB ChEMBL
191300,CCC(O)c1cc(COC)nc2c(N)nsc12,1,GDB ChEMBL
348472,C[NH2+]CC1COC2CCOC2C(C)O1,0,GDB ChEMBL
222782,CN1CC(=O)NC(C[NH3+])C(N)C(C#N)NC1=O,0,GDB ChEMBL
29018,C#Cc1ncc(Cl)c(OCC)n1,1,GDB ChEMBL
140106,COC1CCC(C)C[NH2+]C1C1(O)CC1,0,GDB ChEMBL
186745,CC1C[NH+](C)C(C)(C)CCC(C)(NC(N)=[NH2+])C1,0,GDB ChEMBL
35730,CNC1=[NH+]CC(=O)OCC[NH+]=C(NC(N)=[NH2+])N1,0,GDB ChEMBL
190254,CCCC1CS(=O)(=O)C12COC(C(=O)[O-])C2,0,GDB ChEMBL
76412,C#CC(CO)CC(=O)CC#N,1,GDB ChEMBL
195236,N#CC(CCC[NH3+])OCC[NH3+],0,GDB ChEMBL
349663,CC(C)C1(O)CC[NH+]=C(N)C1(O)C1CCC[NH2+]1,0,GDB ChEMBL
339263,CNC(=[NH2+])Nc1c(NC)ncc(Br)c1C[NH3+],0,GDB ChEMBL
332718,C#CC(C[NH3+])(CO)Cc1nc(C)c(O)cc1Cl,0,GDB ChEMBL
302618,CC1CC(=O)C(C2[NH2+]CCC2C#N)C1,0,GDB ChEMBL
112036,[NH3+]CCC(CS(=O)(=O)[O-])C(=O)NC=O,0,GDB ChEMBL
142894,CC1=CCCCCC(C)C2CC=CC(C1)C2,0,GDB ChEMBL
273460,CCC(C#CC1CCOCC1)C=O,0,GDB ChEMBL
334771,CCCC(=O)C[NH2+]C(C)CC,1,GDB ChEMBL
71446,NC(=O)C(O)C(C(=O)[O-])C1CCNC(=[NH2+])C1N,0,GDB ChEMBL
176537,CCc1cc(C)c(C)cn1,1,GDB ChEMBL
345730,CC#CCc1cc(Cl)cc(C2CC2C)c1,1,GDB ChEMBL
339965,Cc1cc2c(cc1Br)C1C=CCCC1(C)N2,0,GDB ChEMBL
18837,CC1=CC(CCC(C)C)CC(N)(C#N)CC1,0,GDB ChEMBL
160353,CC(C#N)N(C)c1cc(CO)n(C)n1,1,GDB ChEMBL
131898,CCOC1C([NH3+])CC(C[NH3+])CC1C(C)(C)[NH3+],0,GDB ChEMBL
54799,COCC(O)C(O)C(C#N)=N[O-],0,GDB ChEMBL
38719,COC1CC1C(O)C(NS(C)(=O)=O)C(=O)[O-],0,GDB ChEMBL
93449,COC(CO)Cn1nnc(C(=N)N)c(Br)c1=O,0,GDB ChEMBL
287359,CC(=N)OC(=O)C(CC(N)=O)C(C)(C)O,1,GDB ChEMBL
306000,CC1OC(=O)C(O)(CC(O)CO)C1[NH3+],0,GDB ChEMBL
130199,CCOC1C(CC)=C2CCCCC=CC1C2,0,GDB ChEMBL
127258,CNC(=O)C(C)C([NH3+])C1CN1,0,GDB ChEMBL
330758,NC(=O)C(O)C1(OC(=O)CC[NH3+])C[NH2+]C1,0,GDB ChEMBL
374348,CC1NC(=O)CC2C3OCC2(C)C13,0,GDB ChEMBL
249617,Cc1ccnc(C)cc(O)c2c(c1)CCCN2,0,GDB ChEMBL
156790,CC1CCCC=C2CC(O)C(C)(C)C21,0,GDB ChEMBL
37171,CCCC(C)(C)C#CC(OCC)C(C)(C)C,1,GDB ChEMBL
20105,CCC(O)C1OCC([NH3+])C1OC=O,0,GDB ChEMBL
354606,CC1CN(C)c2cccc(c2)N(C)CC(=O)O1,1,GDB ChEMBL
214739,CC1CC(N)=[NH+]C12C1CC(O)C2C(=O)N1,0,GDB ChEMBL
336053,O=C1C(CO)=CC2C3CC3CN12,0,GDB ChEMBL
265549,NC(C(=O)[O-])C1(N)C2CC[NH2+]C21,0,GDB ChEMBL
165915,CC#CC(C)CC1CC2CC2CCCC[NH2+]1,0,GDB ChEMBL
204829,CC(O)C1[NH+](C(C)C)C2CC(C)C1(C)C2,0,GDB ChEMBL
62835,CC#CC(CO)C1=CCCC(C#N)C1,0,GDB ChEMBL
48162,CCC(O)C1CC2CC(=O)CC[NH+]21,0,GDB ChEMBL
298025,CCCOC1CCC(OCCO)C=C1CC,1,GDB ChEMBL
153744,CCCC(C)(CC[NH3+])CNc1ccc(F)cc1,0,GDB ChEMBL
85838,COc1c(CO)nc(O)n1CCO,0,GDB ChEMBL
83099,Cc1cc(Br)cc2c1CCC(C)C2(C)C,1,GDB ChEMBL
352597,CNc1ccnc(C#N)n1,1,GDB ChEMBL
203118,C#CC1CCCOCCN1C1COC1,0,GDB ChEMBL
398916,CC1=CC(C)(CC(C[NH3+])C[NH3+])CC=CCC1,0,GDB ChEMBL
21899,CC(=O)C1CCCOC(=N)C1C,0,GDB ChEMBL
288944,N=C1Cc2c(N)ccc(CO)c2CO1,0,GDB ChEMBL
239142,CCC[NH+](C)C(C)c1c(CC)[nH]cc(F)c1=N,0,GDB ChEMBL
177902,C#Cc1nc(O)c(F)c(O)n1,1,GDB ChEMBL
181545,CCC1[NH2+]CC(O)(C(=O)[O-])C1CO,0,GDB ChEMBL
259385,[NH2+]=C1CC2C3NC(CN1)C2OC3=O,0,GDB ChEMBL
206788,CC(C)CCCC(C)C1CCCC2CCCC21,1,GDB ChEMBL
245526,CCCC1(CC([NH3+])(CO)CC(C)[NH2+]C)CC1,0,GDB ChEMBL
83038,C[NH2+]C1C(CO)C(=O)CC1C(C)O,0,GDB ChEMBL
202530,C#CCC1(C)CC1(C)c1ccc(Br)cc1C,0,GDB ChEMBL
334807,CC(O)C(O)CC(C#N)NC(=O)C(O)C[NH3+],1,GDB ChEMBL
111519,Cn1ccc2c1CCC(C)(C1COC1)C2,0,GDB ChEMBL
96038,CC1CC2(CC2)CCC(C)(C(C)CC[NH3+])C1,0,GDB ChEMBL
129803,CNC(=O)C(CCO)C(C)C,1,GDB ChEMBL
198838,C[NH2+]C1C2C(=O)NCC2N2CCCC(O)CC12,0,GDB ChEMBL
21450,O=C1NCCC(O)C2C[NH2+]C1C2O,0,GDB ChEMBL
48094,CC1([NH2+]CCC(=O)[O-])CCNC=[NH+]CC1,0,GDB ChEMBL
143461,CCC(CO)CC(OC(C)(C)C#N)C(C)C,0,GDB ChEMBL
104467,CCN1Cc2ccc(C)c(Cl)c2CCC1=O,1,GDB ChEMBL
192583,C#CCCC(CC[NH3+])C(C)CC,0,GDB ChEMBL
326451,CC(=O)NCC1[NH2+]CCCC(=O)C1C,0,GDB ChEMBL
121769,CC(C[NH3+])C(C)OC(=O)Nc1nnn[n-]1,0,GDB ChEMBL
310782,CCC(C[NH3+])(COC)CC(C)O,0,GDB ChEMBL
47675,CN=C(N)n1c(COC(C)=O)nc(Cl)cc1=O,0,GDB ChEMBL
174865,CCC1(C)C[NH+]2C(C)CN(C)CC2C=C1C,0,GDB ChEMBL
274201,CC([NH3+])C1C=CCCCC1C,0,GDB ChEMBL
286886,N=C(NC(N)=[NH2+])C(N)(CO)C(=O)[O-],0,GDB ChEMBL
104419,CCc1cc(CCO)c(Cl)c2c1CC(=O)CO2,1,GDB ChEMBL
366557,CCC(C)C1OCCCC(C)C2CCC(C)C21,0,GDB ChEMBL
11720,CC[NH2+]C1CC(=N)OCC2(OC)CCCC2C1,0,GDB ChEMBL
347858,Cc1cc2c(c(Cl)c1C)CCC(C)C2,1,GDB ChEMBL
332674,CC#CCCNc1cc(Cl)cc(N)c1N,1,GDB ChEMBL
276091,CC1CCC2CC([NH2+]1)C1C(C2)C1(C)C,0,GDB ChEMBL
307552,C#CCOCC1CC[NH+](C)C12CC2,1,GDB ChEMBL
318746,CC1(CO)CC(=O)NCC(=O)N1,1,GDB ChEMBL
389451,[NH3+]C1CC(O)CC(c2ccc(Br)c([O-])c2Br)C1,0,GDB ChEMBL
279270,CCOCC1COCC(=O)C1,1,GDB ChEMBL
260520,C[NH+]1CCC2CCCC1CC1CCC3C2C13,0,GDB ChEMBL
282197,NC(=O)C1C=CCCNC(=O)C1,1,GDB ChEMBL
379725,CC1=CCCC1C(CO)CCO,1,GDB ChEMBL
203838,COCCC1(C)C2CC(C2[NH3+])C1(O)CO,0,GDB ChEMBL
396757,CCCCC1CC(C#N)C2CCC(CC)C12C,0,GDB ChEMBL
337195,Cc1nn(C(N)=O)cc1CC1(CO)CC1,1,GDB ChEMBL
268140,NC(=[NH2+])OC(CO)CNCC([NH3+])CO,0,GDB ChEMBL
28235,C[NH2+]C1CC12CC(OCCO)CC2(C)C,0,GDB ChEMBL
294195,C[NH2+]CCc1cc2c(c(C)c1C=O)CCO2,0,GDB ChEMBL
288707,CCC1(CC)C=C(C)c2ccc(C)cc2C1,0,GDB ChEMBL
112502,CN=C1NC(=O)CS(=O)(=O)N1CC#N,1,GDB ChEMBL
303884,CC(C)c1ccc(CC(C)(C)[NH3+])nc1,1,GDB ChEMBL
220187,Cc1nc2c([O-])c(C[NH3+])ccc(=N)c2cc1F,0,GDB ChEMBL
117421,CCN1CC1CC(C)(C)O,1,GDB ChEMBL
151252,C[NH2+]CC1OC(=O)C(CC=O)C(CCO)O1,0,GDB ChEMBL
27813,CC1CC(N)=[NH+]C1CS(N)(=O)=O,0,GDB ChEMBL
278855,CCC1=CC2C(C[NH3+])C1NC(=O)C2(C)CC,0,GDB ChEMBL
283975,CC(O)C[NH2+]C1CNCC(=O)NC1C=O,0,GDB ChEMBL
201157,C#CCC1(Cc2ccc(F)cc2C)CC1,1,GDB ChEMBL
124878,CC#CC(C)(CC)C1(C)CC[NH+](C)C(C)C1,0,GDB ChEMBL
313758,CCC12CC=CCCCCC1CCO2,0,GDB ChEMBL
171864,CCCc1c(C(=[NH2+])NC)cc(C)c(F)c1C[NH3+],0,GDB ChEMBL
356531,CC(C)(O)C(CCC#N)CC1(N)C(N)C1[NH3+],0,GDB ChEMBL
157115,C[NH2+]C(C(=O)[O-])C1OC(C)C(C)(O)CC1CO,0,GDB ChEMBL
255151,CC1=CC(C)[NH2+]C(C)C1CCC(F)(F)F,0,GDB ChEMBL
203849,C#CC1CCCC(C)(C)C(CO)C(CC)C1,0,GDB ChEMBL
279094,COC(=O)C1C=CC(O)C2(C1)CC2(C)O,0,GDB ChEMBL
29724,CCCCNC(=O)c1nc(Br)ccc1C,1,GDB ChEMBL
366923,CNc1cc[nH+]c(COC)c1C,0,GDB ChEMBL
130457,CC1(O)C(O)CC(CO)CN2C(C(=O)[O-])C21,0,GDB ChEMBL
317351,C#CC1CCC(C)C(C(C)(CO)CCCC)O1,0,GDB ChEMBL
134741,CNC1=CC(=O)C(C)OC(=O)NC1=O,1,GDB ChEMBL
170131,CC1NC(=O)OC2CNC(C(N)=[NH2+])C12,0,GDB ChEMBL
260706,CNC(=[NH2+])NCC(CC(N)=O)N(C)C,0,GDB ChEMBL
42273,CCC1CCCC(C#N)C1C,1,GDB ChEMBL
338006,Cc1c(O)c(Cl)cc(Cl)c1C1(CC[NH3+])CN1,0,GDB ChEMBL
385362,CCC1C2OC(=O)CCCCC12[NH3+],0,GDB ChEMBL
175518,C#CCCC1(C[NH2+]C)C2CCC1C2(C)C,0,GDB ChEMBL
233941,COC1OC(=N)C2C[NH2+]C(C(O)C(=O)[O-])CC12,0,GDB ChEMBL
81060,C=CC1CC(C)(C(C)OC)C2CC12,0,GDB ChEMBL
76477,CC1OC2CCCOC(=O)CC1N=C(N)C2O,0,GDB ChEMBL
292226,CC1C2CCCC1C1CCCCC=CC2C1,0,GDB ChEMBL
61961,C#CC(C)(CC)Cc1cc(I)ccc1C,1,GDB ChEMBL
62602,CCC1CC(N=C(N)C(C)=O)C(=O)O1,0,GDB ChEMBL
280290,Cc1cc(CO)nc2c(N)ncn12,1,GDB ChEMBL
386591,N#CS(=O)(=O)[N-]c1cc(O)ncn1,0,GDB ChEMBL
258198,COC(C)(CO)C([NH3+])Cc1cnc(N)s1,0,GDB ChEMBL
366894,CC(O)c1c(NCC(O)CO)noc1C(=O)[O-],0,GDB ChEMBL
396088,CN(C(=O)C(C)(C)O)S(=O)(=O)CC#N,1,GDB ChEMBL
362323,CC1CC([NH3+])C(C)OCC(C)(C#N)C(O)C[NH2+]1,0,GDB ChEMBL
126845,Cc1cncc(NCC(=O)C#N)n1,1,GDB ChEMBL
217148,C#CCOC12CNC(=O)C(C1)N=C(N)O2,0,GDB ChEMBL
391734,CCCCCC1CC[NH2+]CC(C)(C)C1C(C)C,0,GDB ChEMBL
127246,CC1CC(=O)N(C)C(NC(=O)C(N)=O)=N1,1,GDB ChEMBL
66704,N#CCCCC1CC[NH+]2CC12,0,GDB ChEMBL
259593,N#CC(N)C(N)C(O)(CC(N)=O)C(=O)[O-],0,GDB ChEMBL
227964,C#CC(C)(C)CC(C(C)CC)[NH+](C)CCO,0,GDB ChEMBL
238551,CC(C)CC12CC3C(C(C)C[NH+]3C)C1C2,0,GDB ChEMBL
288122,Clc1ccnc(C2COCC23CC[NH2+]3)c1,0,GDB ChEMBL
127734,CC(CO)[NH+](C)CC1(C)OC1C#N,1,GDB ChEMBL
26559,OC1CCCC2c3cc4c(cc3CC12)CCC4,0,GDB ChEMBL
119964,CNC(=O)C1CCC(O)CC2OCC2OC1,0,GDB ChEMBL
394882,CNC(=O)NCc1ccn2c1C(C)C2CO,0,GDB ChEMBL
375565,CC1(C)C(O)CCCOCC1(O)CO,0,GDB ChEMBL
277670,NC(=O)NC1C(O)C2OC1C2CO,1,GDB ChEMBL
137130,C#CC(O)(CC(C)O)C(COC)[NH+](C)C,0,GDB ChEMBL
193270,CC[NH+](CC)C1C(C)(C)C1(O)CC,0,GDB ChEMBL
112496,COC(CNC(N)=[NH2+])C1(O)C([NH3+])C1O,0,GDB ChEMBL
263452,N#CCN=C(N)N1CCc2ccc(N)nc21,1,GDB ChEMBL
354861,[NH3+]CCC1OC(=O)CC([NH3+])CC1O,0,GDB ChEMBL
250609,N=C(N)N1C(=O)C2(C(=O)[O-])COC(=O)C12,0,GDB ChEMBL
17602,CCC12CC3CC[NH2+]C(C3)C1COC21CC1,0,GDB ChEMBL
363812,CC1C2CCCN(C=O)C1C(=O)N2,0,GDB ChEMBL
225878,CC1C(O)C2(C)CC([NH3+])CC1(C)C2C#N,0,GDB ChEMBL
156734,CCOC1CCC1COC(=O)NC,1,GDB ChEMBL
204306,COC1=NCCN1C1CCC(O)C1=O,1,GDB ChEMBL
50963,NC(=O)Cc1cncc(Br)c1,1,GDB ChEMBL
310103,COC12CC1C(C(=O)[O-])C2[NH3+],0,GDB ChEMBL
122955,CC(O)C1C(C#N)C2C=CC1C21CC1,1,GDB ChEMBL
157370,CC(C)C1=CC(=O)N(C)C(C)(CC[NH3+])CC1,0,GDB ChEMBL
275607,NC(C[NH3+])C1NC(=O)CC([NH3+])CC1O,0,GDB ChEMBL
3016,[NH3+]CCCNC1(C(=O)[O-])CC1[NH3+],0,GDB ChEMBL
225456,CC1(C(N)=O)C2NS(=O)(=O)C1C(O)C2O,0,GDB ChEMBL
165237,N#CCOc1c(O)csc1NCCNC(N)=O,1,GDB ChEMBL
358091,CCC(OC)C1CCOC(C)(C)C(C)NC=[NH+]1,0,GDB ChEMBL
87539,COC1CCCC(N)C(=O)O1,1,GDB ChEMBL
74317,CCC(NC(N)=[NH2+])c1nncnc1C#N,0,GDB ChEMBL
358803,CC[NH+](C)CC1(C[NH3+])CC2COCC21O,0,GDB ChEMBL
201685,CC[NH+]=C(NC)NC1(CC)CC1C(=O)[O-],0,GDB ChEMBL
186644,Cc1cncc2c1C(C)CC2[NH+]=C(N)N,0,GDB ChEMBL
34217,O=C1NCC2CC1C2C(F)(F)F,0,GDB ChEMBL
324290,O=C(C=CC(O)CCO)C(F)(F)F,1,GDB ChEMBL
281018,CC1C2[NH2+]C3COCCC2N(C)C31,0,GDB ChEMBL
7374,CC(C)C1CCCC2CCCC(CO)C1CC2,0,GDB ChEMBL
119936,CCC1CCC=CCC1C[NH3+],0,GDB ChEMBL
149988,Cc1cc(Cl)cc(C)c1C1=CC2CCC1C2,1,GDB ChEMBL
374171,COC(C)CCCC[NH+]1CCC1,0,GDB ChEMBL
340118,COCCN1CCC1C=O,1,GDB ChEMBL
104678,CCC1[NH2+]C2C(OC)C(=NO)COC2C1O,0,GDB ChEMBL
389466,CCC1COC(S(N)(=O)=O)C(O)C(O)C1,0,GDB ChEMBL
263193,C#Cc1ccc2c(c1C)C(C)C(CCO)N2,1,GDB ChEMBL
235532,CCN1C(=O)C=C2C=CC(CO)=CCC1C2,0,GDB ChEMBL
388422,CC(=N)N1C=NCc2c1ccnc2C(N)=O,0,GDB ChEMBL
72388,CC1CC2COC(=O)C3C[NH+]2CC13,0,GDB ChEMBL
20737,CC(=O)NC(=O)C(=O)NC(C=O)C(N)=[NH2+],0,GDB ChEMBL
204789,CC1CC2CCC(CC(=O)[O-])(C2)[NH+]2CCCC12,0,GDB ChEMBL
280283,C#CC1=CCc2c(C)c(Cl)cc(CC)c2C1,0,GDB ChEMBL
40282,Cc1nc(C(=O)NCCC=O)n[n-]1,0,GDB ChEMBL
184468,CNC(=O)NC(=N)C(O)(CO)C(N)=O,1,GDB ChEMBL
50220,CC1(C)CC(O)C2CC3(CC[NH+]2C1)CC3,0,GDB ChEMBL
222906,C#CC1OC(CCCCC)C(C)([NH2+]C)C1CC,0,GDB ChEMBL
261164,C1CC2CC3CC(C1)C2C31CC1,0,GDB ChEMBL
140370,CCc1cc(C)c(F)c2c1CC(C)C2,1,GDB ChEMBL
285541,C[NH2+]C(C)C(O)(COS(N)(=O)=O)C(=O)[O-],1,GDB ChEMBL
228924,C[NH+]1CC2C=C(CC2=O)NC(=O)C(C)(C)C1,0,GDB ChEMBL
173871,CC1CCC2C1CC1CC(=O)C2(C)C1,0,GDB ChEMBL
148518,NC(=O)C(O)C(C[NH+]=C(N)N)C(N)=O,0,GDB ChEMBL
234485,CC1(O)CC2[NH2+]C3C(CC31)NC2=O,0,GDB ChEMBL
28199,C[NH2+]Cc1cc([N+](=O)[O-])cn(CC#N)c1=N,0,GDB ChEMBL
8766,CN1CC2CNC(C#N)C1CC2C(O)C[NH3+],0,GDB ChEMBL
376683,COCCOC1C(=O)C2(C)CC2C1O,1,GDB ChEMBL
254886,CC(C)(C)C1C(C#N)CCC2=CC(O)CC21,0,GDB ChEMBL
23919,CCCC1(NCC(=N)OCC)CC[NH2+]C1,0,GDB ChEMBL
398706,Cc1c(OC(=O)C#N)cnn1C,1,GDB ChEMBL
271820,CC1(C)C2C[NH+]3C4CCCC(C42)C31,0,GDB ChEMBL
126354,C#Cc1cccc(Br)c1CC1(C)OCOC1C,1,GDB ChEMBL
279130,CC1(CCOC(=[NH2+])NC(CN)C[NH3+])CC1,0,GDB ChEMBL
151271,Cc1cc2n(c(=O)c1Cl)C(C)(C)CCC2,0,GDB ChEMBL
177061,N#CC1CC(=O)NC2CC1C1CC21,0,GDB ChEMBL
119672,O=C1NC2C(CCO)[NH2+]C2C1O,0,GDB ChEMBL
103917,CC1(C[NH3+])C=Cc2cnccc2C1,0,GDB ChEMBL
133048,CC([NH3+])CC1C(O)CNC(CC#N)C1O,0,GDB ChEMBL
5238,CC1[NH2+]C2C(=O)NC(C(=O)[O-])C2(C)C1N,0,GDB ChEMBL
152629,Cc1c(N)ccc(N(C)C)c1F,1,GDB ChEMBL
289948,CC[NH+](CC)CC(C)=CC1CC1O,0,GDB ChEMBL
358130,CC(=O)OC1CC2NC2(CC(=O)[O-])C1[NH3+],0,GDB ChEMBL
261392,C#Cc1cc(F)c(CC(=O)NC)c2cnoc12,1,GDB ChEMBL
206831,CC(=[NH2+])NCc1c(C)cc(CC(C)[NH3+])cc1O,0,GDB ChEMBL
143157,COC12COC1CC(C(C)C[NH+](C)C)C2,0,GDB ChEMBL
121538,O=C1C=CC(C2CCCO2)N1,1,GDB ChEMBL
157114,CCc1ccscc(N)oc(=O)c1C(=O)[O-],0,GDB ChEMBL
227551,CCC(O)C(CCC1CC1)C(C)(C)CC,1,GDB ChEMBL
58447,CC1OC1(C)C(O)Cc1cnccc1Cl,1,GDB ChEMBL
26920,CN1C(=O)CC(C)(O)C2(C[NH3+])CC1C2,0,GDB ChEMBL
6065,CN1CCc2c(O)ccc[nH]ccc2C1(C)C,0,GDB ChEMBL
35998,CCOCC12CC([NH3+])C(C)C1N2C(C)=O,0,GDB ChEMBL
191334,CCC(OC1COC1)C(C)[NH3+],0,GDB ChEMBL
303885,C[NH2+]CC(O)c1cc2cc[nH]c2cn1,0,GDB ChEMBL
23646,CC1(CO)CC2CC(=O)OC2CC[NH2+]1,0,GDB ChEMBL
199024,CC#CC1(C(=O)CO)CO1,1,GDB ChEMBL
203257,CN(CC(=O)[O-])C1C2NC(=[NH2+])NC21CC#N,0,GDB ChEMBL
92297,C#CC[NH+]1C2CC(C)C1C2(C)COC,0,GDB ChEMBL
189828,N=C1CNCC(O)CCN1C=O,1,GDB ChEMBL
248241,C[NH2+]CC(=O)COC1CCOC1,0,GDB ChEMBL
274226,C[NH2+]CC1OC2(C)C=C(C)C1C2,0,GDB ChEMBL
8695,C[NH2+]C(CO)C(C)(C)NCC[NH3+],0,GDB ChEMBL
41641,CCC(C)(CC)C(O)C1CCCC1=O,1,GDB ChEMBL
95885,CCCCC1CC2=CC(C)C3CC23C1,0,GDB ChEMBL
73828,CC1(O)CC2C[NH2+]CCC1(C=O)NC(=O)O2,0,GDB ChEMBL
99072,C#Cc1c(I)cc(CC(C)C)cc1CCCC,1,GDB ChEMBL
263202,C#CC1(CCC)CC2CCCC(C)C1C2,0,GDB ChEMBL
210150,N#CC1[N-]C(=O)C(CO)C([NH3+])C1CO,0,GDB ChEMBL
127042,CC(C)(CC#Cc1cccc(Cl)c1)C1CC1,1,GDB ChEMBL
25181,COC1CNC(=O)c2n[nH]c3c2C2C1N2C3,0,GDB ChEMBL
113507,N=C(CO)NC(=N)Oc1cc(F)cc(F)c1,0,GDB ChEMBL
122952,C#CC(C)OCC(CC(F)(F)F)C(C)CC,0,GDB ChEMBL
398224,CCCCC1(C)C(C)C=C2C=C(C)CC21,0,GDB ChEMBL
304135,C[NH2+]CC1CC(C)C2CCCC(C)OCC1C2,0,GDB ChEMBL
206850,CC1C(=O)CC(CO)(C(C)CNC=O)OC1=O,1,GDB ChEMBL
277972,CCC(CC(C)[NH3+])CC1CC1,0,GDB ChEMBL
9793,CC1CC(O)C(C(C)C[NH3+])C1C,0,GDB ChEMBL
61950,C#CC(C)([NH3+])c1c(O)cc(C)c(C(=O)[O-])c1O,0,GDB ChEMBL
278174,CCOC1(C[NH3+])Cc2cnn(CC)c2C1,0,GDB ChEMBL
353536,C#CC#CCC[NH2+]C(C)CC,0,GDB ChEMBL
193757,CCC=CC1CC=C(C)CC(C)C1,1,GDB ChEMBL
142491,CNC(=O)C1CC(O)CN(C=O)C1=O,1,GDB ChEMBL
164679,CCCC1CC(C)=CCC(C)(CO)CC1=O,0,GDB ChEMBL
209823,CCC1C2CCNC(=O)C#CCC(O)C12C,0,GDB ChEMBL
388272,C[NH+](C)CC(C#N)(CC(=O)[O-])CC1CC[NH2+]C1,0,GDB ChEMBL
230454,CCC1C2CC(CCCC2C)C2CC21,0,GDB ChEMBL
152590,[NH2+]=C1CN(C(=O)CCCC[NH3+])CCC=CN1,0,GDB ChEMBL
222863,CCC1CC(=O)NC(=N)C(C)C1CC(C)(C)O,0,GDB ChEMBL
9723,CC1C(O)C2(CO)C(=O)CC1(O)C2C(N)=O,0,GDB ChEMBL
217361,CCN=C1C[NH+](C)CCCO1,0,GDB ChEMBL
355412,CCCC(=O)CN(C)c1c(C)cc(F)nc1C,1,GDB ChEMBL
319834,CC1C(C)C1(O)CCC#N,1,GDB ChEMBL
112634,COc1ncnc2c(Cl)cc3c(c12)CCC3O,1,GDB ChEMBL
149374,Cc1ccc(N)c2[nH]c(C(=O)N(C)C=N)cc12,1,GDB ChEMBL
280835,COC12C=CCCC[NH+](CC1)C2,0,GDB ChEMBL
263552,CC1(C)CC1(CC(CO)CCCO)C(=O)[O-],0,GDB ChEMBL
13894,CC=CC=C(C)CC#CCCCC,0,GDB ChEMBL
18352,CC(C(=O)NC1CC1O)N1CC1C#N,1,GDB ChEMBL
80490,CC(=NO)C1CCC([NH+](C)C(C)C)C1,0,GDB ChEMBL
174824,CC1CCC2CC2C(O)C([NH3+])C1,0,GDB ChEMBL
179185,N#CC(O)(C#N)C(CC1CNC(=O)C1)=N[O-],0,GDB ChEMBL
277433,CCC(C(C)C)C1(CC)CC1,1,GDB ChEMBL
152076,COCC(C)C1NC1(C(=O)[O-])C(C)(N)C[NH3+],0,GDB ChEMBL
105146,CCC(CC)C1(C)CCC2C=CC1C2,0,GDB ChEMBL
173720,COC12CC(C)N3CCOC(C3)C1COC2=N,0,GDB ChEMBL
323324,CCC1CNC(N)=[NH+]1,0,GDB ChEMBL
218793,CC(=O)OCC(O)C[NH+]=CN,0,GDB ChEMBL
71676,CS(=O)(=O)CC1OC(=O)C1CC#N,1,GDB ChEMBL
335498,C#CC(CC)C(O)c1cc(COC)c(C)s1,1,GDB ChEMBL
95208,C#CCC1CC2CCC1[NH2+]CC(C)C21CC1,0,GDB ChEMBL
338256,Clc1ccccc1C1CC1C1C=CCC1,1,GDB ChEMBL
33532,C=Cc1c(C)[nH+]c(NC)ccc1=O,0,GDB ChEMBL
186047,CCC(C)(C)[NH+]1CCCC2(CC1)CC2,0,GDB ChEMBL
251887,CCCC1CCC2(CC3OCC2C3=O)C(C)C1,0,GDB ChEMBL
379737,CN1CC1C(NC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
230369,CCCC1Cc2cn(C)cc2N2CCNC2=[NH+]1,0,GDB ChEMBL
56674,CC(CCC(N)=O)C1C=CCCCC1(C)C,0,GDB ChEMBL
317552,CC(=CCC(F)(F)F)CC(C)(C)C,1,GDB ChEMBL
155830,CCc1cc(F)cc2c1CCCC2,1,GDB ChEMBL
275613,[NH3+]C1CC(O)(C(=O)[O-])CC12COC1C[NH2+]C2C1,0,GDB ChEMBL
92294,CCCc1ncc(CCO)c(F)c1C,1,GDB ChEMBL
251837,CCC1(C)CC(c2ccc(F)c(C)c2C)C1,1,GDB ChEMBL
248851,C#CCNC(=[NH2+])NCCCO,1,GDB ChEMBL
141739,CC([NH3+])C1OC(=O)C(O)CCC(CO)CC1[NH3+],0,GDB ChEMBL
149938,CCOC(N)=[NH+]C(CCCC(C)O)COC,0,GDB ChEMBL
85065,CNS(=O)(=O)CCCn1cncn1,1,GDB ChEMBL
290105,[NH3+]CC12CC3CC1(C[NH3+])CC3C2,0,GDB ChEMBL
44366,C#CCCCCC1CC=CC=CC1,0,GDB ChEMBL
258268,COCCCn1cccn1,1,GDB ChEMBL
126917,OC1C2C[NH+]3CCC2CCC13,0,GDB ChEMBL
340126,CN(CC#CCO)Cc1ccn(C)n1,1,GDB ChEMBL
99789,CNC(=O)NC1C2NC(=O)C1(O)C2C[NH3+],0,GDB ChEMBL
353588,N#CC1(CC(=O)[O-])OC1S(N)(=O)=O,0,GDB ChEMBL
40055,O=CCNc1ccc(I)cc1O,1,GDB ChEMBL
206813,CC1=CCCC2(C)C[NH+](CC1)C1CC12,0,GDB ChEMBL
391741,CNc1c(CC(C)C2C=CCO2)noc1C,0,GDB ChEMBL
181665,NC(=[NH2+])c1c(O)c2n(c1N)C(CO)CCN2,0,GDB ChEMBL
210386,N#CCc1ncnc(CO)c1[N+](=O)[O-],1,GDB ChEMBL
391600,CC(NC1=[NH+]CC(O)C1CC(O)CO)C(=O)[O-],0,GDB ChEMBL
267335,CC1CC(C)CC2(C1)CC1CCC(C2)C1O,0,GDB ChEMBL
284673,[NH3+]C1CC(C2CS(=O)(=O)[N-]C2=O)C(O)C1O,0,GDB ChEMBL
160863,NC(=O)CNC1=[NH+]CC(O)C1C1CCC[NH2+]1,0,GDB ChEMBL
278120,CC(O)CC1CC(C[NH3+])(C[NH3+])C[NH2+]CCO1,0,GDB ChEMBL
40332,C#CCC(O)(CC)C(C#C)C1CCC[NH2+]CC1,0,GDB ChEMBL
343983,CNC(NC(N)=[NH2+])=[NH+]CC=O,0,GDB ChEMBL
290174,COc1c(C)c2c3c(c1Cl)CCC3C=C2,1,GDB ChEMBL
81508,CCC(C)C(CC)N(C)c1c([O-])coc1C,0,GDB ChEMBL
170112,NC(=O)C1CC2C(O)C2NC(N)=[NH+]1,0,GDB ChEMBL
61670,C#CC1CC(C)(C)C1c1ccc(F)c(C)c1,0,GDB ChEMBL
305230,CC1CCCC2(C)CCCC(C2)C1C,0,GDB ChEMBL
289399,CC12CC3CCCCC3C(C1)C(C)(O)C2,1,GDB ChEMBL
35489,CCC1(O)CC2CC(OC2C)C(CO)CC1C,0,GDB ChEMBL
143802,COCC(O)C1(C=O)CCOC1,1,GDB ChEMBL
120541,CCCC(C)(C)CC1(O)C(C)C1[NH2+]C,0,GDB ChEMBL
378619,C#CC[NH2+]C(C)C1=CC=CC(O)CC1,0,GDB ChEMBL
7806,CNC1=[NH+]CC(C)(CCOC)C2COCC2N1,0,GDB ChEMBL
325736,NC(=O)C1CCOC1CO,1,GDB ChEMBL
185941,CCC1C(C)=CC2C(C)CCC1(C)C2[NH3+],0,GDB ChEMBL
133167,CC1C([NH3+])C(N)CC(O)C1C(=O)[O-],0,GDB ChEMBL
115035,CC1=CCN(C=O)C(=N)CCC1O,1,GDB ChEMBL
262209,CCCC(C)c1cc(I)c(C)c2cccnc12,1,GDB ChEMBL
48538,CNc1cc(=N)n(C)[nH+]c1NCCOC,0,GDB ChEMBL
333074,CCCCCCC1C(CC(C)[NH3+])C1(C)[NH3+],0,GDB ChEMBL
300491,N#CC1C(=O)[N-]C2C=C1C(=NO)COCC2,0,GDB ChEMBL
94722,N#CCC(=O)[N-]C1C([NH3+])C(N)C(O)C1[NH3+],0,GDB ChEMBL
37652,CNc1cc(N)cnc[nH]cc1C(C)=O,0,GDB ChEMBL
103419,CC(NC=O)C(C)C1CCC1,1,GDB ChEMBL
81523,CCCC12CCCCC(CO1)C(C)C2,0,GDB ChEMBL
255522,CC1C2CCCCC2C2(C)C(C)NC(=O)CC12,0,GDB ChEMBL
281676,CC1=CC(C)([NH2+]CCC#CC[NH+](C)C)CC1,0,GDB ChEMBL
362179,C[NH+](C)CC1OCC([NH3+])C1CNc1nn[nH]n1,0,GDB ChEMBL
93113,C[NH+]=C(N)NC(=O)[c-]1oc(=O)n(C)c1=O,0,GDB ChEMBL
23618,C=C(C=O)CCC(C)CC(F)(F)F,1,GDB ChEMBL
252734,C=CCNC(=O)NCC1OCC1O,1,GDB ChEMBL
197183,CC(C(OC(N)=O)C(N)=O)C(C)(O)C(O)C[NH3+],0,GDB ChEMBL
112825,Fc1cccc2c1C1C=CC(C=CC#C2)C1,1,GDB ChEMBL
31795,O=C([O-])C1NC2=[NH+]CC(N2)C(CO)C(O)C1O,0,GDB ChEMBL
272554,CC(CCO)CNc1cc(=N)[nH]c(N)[nH+]1,0,GDB ChEMBL
220144,NC(=O)COC(C[NH3+])C1CCC1,0,GDB ChEMBL
300466,CCC1CCCC(C)C2C(O)C2C(C)(C)C1,0,GDB ChEMBL
391656,C=CCC(C)(C=C)CC[NH2+]C1CC1,0,GDB ChEMBL
175580,CCC1C=C(c2ccccc2Cl)CC1,1,GDB ChEMBL
127526,Cn1c(C[NH3+])cc(F)c(COC=O)c1=O,0,GDB ChEMBL
132813,CC1CC2=C(C1)CC(C[NH3+])C2,0,GDB ChEMBL
255139,C#Cc1cc(Cl)c(C)c(C2CC=CC2)c1Cl,1,GDB ChEMBL
92353,N#Cc1cc(N)cc(CCCC(=N)NC=O)n1,1,GDB ChEMBL
193758,CC12CCCC(CC1C#N)C2[NH3+],0,GDB ChEMBL
1466,CCC1C[NH2+]CC(C(O)C[NH2+]C)C1[NH3+],0,GDB ChEMBL
354416,CCc1cc(C2(CC)CCCC2)c(Cl)cc1Cl,1,GDB ChEMBL
119286,COc1ccc(C)nc2ccncc2sc1,0,GDB ChEMBL
50955,CC1CNC(C(N)=O)C2(S(N)(=O)=O)C(O)C12,0,GDB ChEMBL
51867,CC1[NH+]=C(N)C2C(=O)NCC1C2O,0,GDB ChEMBL
24787,C#CCc1c(C)cc(Br)c(Br)c1C1CC[NH2+]C1,0,GDB ChEMBL
319164,CCCC1CC2CCCC13C[NH+]23,0,GDB ChEMBL
305614,CCC1=CC(C([NH3+])CC)OC1,0,GDB ChEMBL
223511,C[NH+](C)C1CC(O)CC(O)C1,0,GDB ChEMBL
133298,COC(C)C1OC(C2CN2)CCC1CC[NH3+],0,GDB ChEMBL
160988,C#CCC1CC2(COC2)C(C(C)(C)C)C1O,0,GDB ChEMBL
89365,C[NH2+]CC(=O)[N-]S(=O)(=O)C1C2CCC(O)C1O2,0,GDB ChEMBL
190509,CC1CCCC2COC1C2C,0,GDB ChEMBL
258037,CC1C2C([NH3+])C[NH2+]C(C3CCOC3)C12,0,GDB ChEMBL
205809,NS(=O)(=O)OCCCC(=O)NC=O,1,GDB ChEMBL
53032,CCNC(=O)CC(N)C(=N)NC(N)=O,1,GDB ChEMBL
396765,CC1CC2(C(C)C)CC[NH2+]CC2C1(C)O,0,GDB ChEMBL
269202,CC(C)C1C(CCO)C1C1CC(C)C(C)C1,0,GDB ChEMBL
88148,C[NH2+]C1C(O)C(=O)NC(=O)C(O)C1N,0,GDB ChEMBL
86727,C#CCC#CCCCC=CC=CC,1,GDB ChEMBL
236678,CC#CC1(COCC[NH3+])CC1,1,GDB ChEMBL
390079,C[NH2+]CC1(O)CCOCC1,0,GDB ChEMBL
322908,CCC(=O)C1([NH2+]CCNC2CC[NH2+]C2)CC1,0,GDB ChEMBL
114793,CCNC(=[NH2+])C(CC)CC(C)(CO)OCC,0,GDB ChEMBL
184938,CCC(CC)C(COC(C)C)C(CO)C(N)=O,0,GDB ChEMBL
71453,CCCCC12CC(C)C(CC1C1CCCC1)C2,0,GDB ChEMBL
279290,CCC1CC2CC(OC)C=CC1C(CC)C2,0,GDB ChEMBL
378617,[NH3+]C1CC2N3CC4C(C3)C42C1O,0,GDB ChEMBL
99440,C#CCC#Cc1cc(O)cc(F)c1O,1,GDB ChEMBL
262587,N#Cc1ccc(Cl)cc1C(=O)CO,1,GDB ChEMBL
190799,CCC(C)(C)C(=O)N1CC(CNC=[NH2+])OC1=O,0,GDB ChEMBL
271381,CC1CCC2(CC(=O)N1)CC1CC2C1O,0,GDB ChEMBL
173947,C#CC(O)CC1CC1,1,GDB ChEMBL
115550,CCC1C(N)CNC(=O)C(C)C(O)CN1C=[NH2+],0,GDB ChEMBL
290306,CN1CC(C=O)(C=O)C(O)(C(N)=O)C1,0,GDB ChEMBL
197483,NC(=O)OC1C(O)C2NC(=O)C(N)C1OC2=O,0,GDB ChEMBL
304377,CC(CC1C[NH2+]C1)c1ccnc(I)c1,0,GDB ChEMBL
5347,Cc1nc(O)c(Cl)c(Cl)c1CCCC(F)(F)F,1,GDB ChEMBL
59710,CCC(CO)CC(=N)OCCOC(=O)CNC,1,GDB ChEMBL
33259,CNC1C(=O)C(O)CC1N1C(=O)CN=C1N,0,GDB ChEMBL
282224,CC1(CNCC#N)CC([NH3+])C1CC(N)=O,0,GDB ChEMBL
358566,CCCCC(=O)C(CC)C(COC)C1CC1,1,GDB ChEMBL
31804,NC(=[NH2+])NCC=CC=CC1CCO1,0,GDB ChEMBL
7818,CN(C)C1(C=NO)C2CC(C)(O)C1C(=O)N2,0,GDB ChEMBL
338942,NC(=O)C1(CNC(=O)CC(=O)[O-])NC1C=O,0,GDB ChEMBL
136666,CC(CC1NC(C[NH3+])C1(O)C#N)C(N)=O,0,GDB ChEMBL
388306,C#CCCC(C)(C)c1cc(C)c(C)cc1Cl,1,GDB ChEMBL
136076,COCC=CC=C1CC[NH+](C)C1C,0,GDB ChEMBL
235612,C#CCCC1CC(C)CC(CC(C)CC)C1,1,GDB ChEMBL
152562,Cc1cc(I)cc2c1cnn2C,1,GDB ChEMBL
133985,CC(CO)c1ccc(N)c2c1[NH+]=C(N)NC2,0,GDB ChEMBL
59168,CNC(=[NH2+])CC(C(C)C[NH3+])C(O)C[NH3+],0,GDB ChEMBL
190293,CCC1C(C)CC(C)(C)C1[NH2+]CC(C)C[NH3+],0,GDB ChEMBL
289427,CC12C(=O)NCC1[NH2+]C2CCC[NH3+],0,GDB ChEMBL
181706,CCC1CCCC=C2CC3OCCC34C2C14,0,GDB ChEMBL
280674,Cc1c(C#N)ccc2c1CC(C)COC2=N,1,GDB ChEMBL
70067,CC1OCC(C=O)NC1CS(N)(=O)=O,0,GDB ChEMBL
249843,C#CC(C)[NH+]1C2CCC1COC2,0,GDB ChEMBL
378077,CCC(O)(CO)C[NH+]=C(N)N,0,GDB ChEMBL
368531,CCC(=O)NC(=O)NC=NC(CO)C(C)=NO,0,GDB ChEMBL
44336,Cc1c(O)ccc2c1C1CCC=C1C(C)N2,1,GDB ChEMBL
61681,Cc1ccc(I)c(C(C)(C)CC=O)c1,1,GDB ChEMBL
81726,O=CCC(C[NH2+]C1COC(C(=O)[O-])C1)NC=O,0,GDB ChEMBL
70313,N#CC1(C(=O)OCC(O)CO)OC(=O)[N-]C1=O,0,GDB ChEMBL
21565,CNC(=O)C1C(=NO)CN2C(=[NH2+])C(C)CC12,0,GDB ChEMBL
304041,CNc1csc(CO)c1C(N)=[NH2+],0,GDB ChEMBL
281979,CCC1CC(C)([NH3+])C(O)CC1C,0,GDB ChEMBL
304417,C=CC1(N2CCC[NH2+]CC2)C[NH2+]C1,0,GDB ChEMBL
338937,C#CCC1C[NH2+]C2C(N)C(O)CNC(=O)OC12,0,GDB ChEMBL
330920,CCC1CCC(=O)C2CC1NC(=[NH2+])C2CO,0,GDB ChEMBL
26462,C#CC1CCC=CC2CCC[NH+]1C2,0,GDB ChEMBL
248667,CCC(C)CC12CCCC1CC2C(F)(F)F,0,GDB ChEMBL
119258,CCC12C[NH+](C(C)(C)C)CC1(N)COC2=O,0,GDB ChEMBL
140814,CC1CCCC2C(CO1)C(=O)CC2(C)O,0,GDB ChEMBL
387316,CCC1C(C)C1(C)Cc1ccc(I)cc1,0,GDB ChEMBL
125576,CC[NH2+]C(C)CC1C=CC2=CCCC21,0,GDB ChEMBL
255105,CN1CCC(=O)C2(C=O)C(O)C12,0,GDB ChEMBL
203597,CC1C2C=CCC1C(C)C2c1ccccc1,0,GDB ChEMBL
234912,CC1=CC(c2ccccn2)[NH2+]C2CC12,0,GDB ChEMBL
235889,CCCCNC(=[NH2+])c1cc(=NC)ccs1,0,GDB ChEMBL
225839,CCCC1(C)COC2OC(C#N)C(=O)C21,0,GDB ChEMBL
330130,C#CC1CCC1(C)OCCC(=O)NC,0,GDB ChEMBL
398726,O=C1CC(CCCO)C=C1C1(O)C[NH2+]C1,0,GDB ChEMBL
356558,O=C([O-])C1(O)C2Nc3ccnn3CC21O,0,GDB ChEMBL
238037,NC1CNC2C(=O)OC1C([NH3+])C2O,0,GDB ChEMBL
198656,CNC(=O)C(O)C1OC1C[NH3+],0,GDB ChEMBL
285593,COC(C)C1CN1C(=O)CNCC=O,1,GDB ChEMBL
58979,CC1[NH2+]C(C2(CO)CN2)CC(O)C1C(N)=O,0,GDB ChEMBL
118707,CC(C)C1C=CC2(C1)C[NH+](C)C2,0,GDB ChEMBL
110223,C#CC1CCC2CC[NH+](C)C(C2)C1(C)C,0,GDB ChEMBL
127692,CC1=CC2[NH+](C)CC2(C(O)C(C)O)CC1,0,GDB ChEMBL
38489,CCCc1nc(C2COCO2)ccc1CC,1,GDB ChEMBL
115914,CCC[NH2+]CC1=CC=CCC=C1,0,GDB ChEMBL
201134,COCC(=[NH2+])NCC(C)(O)C(N)=O,0,GDB ChEMBL
227314,CCCCC=C1C=CC(=O)C2CC12,1,GDB ChEMBL
190348,CC1C2C=C(CC([NH3+])CN)C(=O)OC12,0,GDB ChEMBL
372494,CC(C)OCC12CCCC(CCO1)C2O,0,GDB ChEMBL
351326,CCNC1=[NH+]CCC(CC)N1,0,GDB ChEMBL
288924,NC(CNc1ccnc(F)c1)C(F)(F)F,1,GDB ChEMBL
124297,CC(C)(C#N)C(C)(C)C1(N)CCCCC[NH2+]C1,0,GDB ChEMBL
378612,CC1=C2C[NH2+]C1C(=O)CN1CCC(C2)C1=O,0,GDB ChEMBL
340513,CCOc1cc(CO)c2conc2c1Br,0,GDB ChEMBL
264955,COC(C)C1C(C)C2C=CCOC1(C)C2,0,GDB ChEMBL
324262,N#CC1NC(C(N)=O)CN=C1N,0,GDB ChEMBL
260756,CC1CC1Cn1ccc2c[nH+]ccc21,1,GDB ChEMBL
296586,Oc1cnc2c(Cl)c(C3COC3)ccc2n1,1,GDB ChEMBL
345795,O=CCc1ncc(F)c(CNc2ccsc2)n1,1,GDB ChEMBL
294444,C[NH+](C)C1CCCc2c1ccnc2O,0,GDB ChEMBL
290002,CC(C)C(C)C1C(C)CCCCC1(C)C,0,GDB ChEMBL
141809,CCC1(C)OC1C(C)C(N)=O,1,GDB ChEMBL
185961,CC(O)C(CO)CC1CC1C,1,GDB ChEMBL
53015,NC(=[NH2+])C(C[NH3+])C(O)(C#CCO)CCC[NH3+],0,GDB ChEMBL
307555,C1=CC2CCCC1C1C=CC2[NH2+]1,0,GDB ChEMBL
75415,NC(=O)CC1[NH2+]C(C(=O)[O-])C2(O)C(O)C12,0,GDB ChEMBL
349647,CCC#Cc1ccc(C#CCCCO)cc1,1,GDB ChEMBL
84971,CN=C1NC(=O)CC[NH+]2CC1=C(C)C2CO,0,GDB ChEMBL
812,CC1=CCC(C(F)(F)F)CC(=O)CC=CC1,0,GDB ChEMBL
87714,CCC1C([NH2+]C)C(C)C1OC,0,GDB ChEMBL
269356,CC(=NO)C1COC(=O)C(C(=O)[O-])N1,0,GDB ChEMBL
5883,NC(=[NH2+])C1CC(CO)C([NH3+])C2OC12,0,GDB ChEMBL
134460,Nc1ncnc(NCCC[NH3+])c1C[NH3+],0,GDB ChEMBL
261198,N#Cc1nocc1CCC[NH3+],0,GDB ChEMBL
118157,CC1C2CCCC(NCC(F)(F)F)C1(O)C2,0,GDB ChEMBL
160035,CCC(=O)C1(CCO)CC1,1,GDB ChEMBL
312847,CC#Cc1c(F)ccc2c1C=CC(CC)N2,1,GDB ChEMBL
200542,NC(=[NH2+])C(O)CC(O)C(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
353941,CC(O)C([NH3+])C(N)(C(=O)[O-])C(N)CC#N,0,GDB ChEMBL
358264,Cc1ncon1,1,GDB ChEMBL
363575,CC1[NH2+]CC2CC3CC2[NH+](C)C31,0,GDB ChEMBL
362873,Cc1nn(C)c(N)c1S(=O)(=O)C1C(O)C1O,0,GDB ChEMBL
342634,[NH3+]CC(O)CCC(=O)Nc1nn[n-]n1,0,GDB ChEMBL
225473,COC1CCN=CNS(=O)(=O)CC1O,0,GDB ChEMBL
184701,CC(=O)Oc1cc(C=O)c(Br)cc1CCC=O,1,GDB ChEMBL
44304,NC(=O)C(O)CC1NS(=O)(=O)CC12CO2,0,GDB ChEMBL
6146,Cn1cc(C[NH3+])cnc1=O,0,GDB ChEMBL
140799,CC#CC#CC#Cc1ncc(C)cc1C,1,GDB ChEMBL
274163,C[NH+](C)CC=CC1C2CC(C2)[NH+]1C,0,GDB ChEMBL
37617,CCC1CC(C)CC2CCC1(C)C2[NH2+]C,0,GDB ChEMBL
209705,CCc1c[nH]c(C2=NCCO2)c1C(=O)OC,1,GDB ChEMBL
93134,[NH3+]CCC[NH2+]CCCCN=c1cc(F)ccs1,0,GDB ChEMBL
77248,C[NH+]1C2CCC1CN(CC=O)C2,0,GDB ChEMBL
230510,CCCCc1c(O)cc(C)c(C)c1C,1,GDB ChEMBL
280830,Cc1c(C[NH3+])sc(N)nc1=O,0,GDB ChEMBL
395953,CC1NC(=O)CCCS1(=O)=O,1,GDB ChEMBL
17309,CC(O)(CNC=[NH2+])CC(=O)[O-],0,GDB ChEMBL
70087,N#CC(N)C1NC(CO)C(O)C1(O)CC(N)=O,0,GDB ChEMBL
149303,N#CC(CC(=O)[O-])c1cnc(C[NH3+])nn1,0,GDB ChEMBL
115870,CC(=O)N1CC=CC2(O)C([NH3+])C2CC1=O,0,GDB ChEMBL
317353,CCn1nc([O-])c(OC)c1[N+](=O)[O-],0,GDB ChEMBL
301202,C#CC(=O)C(O)C(CC(=O)NC(C)C)OC,0,GDB ChEMBL
63131,NC1=NCC(O)C2C([NH3+])C(O)C(=O)N12,0,GDB ChEMBL
225356,CCC1C2C[NH+]3C(CC)CC2CC13,0,GDB ChEMBL
275600,[NH3+]CCC1(c2cscn2)CC1,0,GDB ChEMBL
124217,COCCCC(CC1=CC2CC1C2)C(C)C,1,GDB ChEMBL
280840,C=CC([NH3+])C(=CC)C(CCC)[NH2+]C,0,GDB ChEMBL
280435,CC(=O)C1CC12CC[NH2+]C2CC#N,0,GDB ChEMBL
143824,C[NH2+]CC1CCC(CC2([NH3+])CC2O)N1,0,GDB ChEMBL
142502,CC1=CC(N)C(=O)OCC1O,0,GDB ChEMBL
244354,CNC(=O)c1nc(C(=N)N)no1,1,GDB ChEMBL
222187,CNC(=O)COC=NC(C)C#N,1,GDB ChEMBL
266448,CCCNC(=O)C(=O)C(C)CC,1,GDB ChEMBL
269195,CC1=CCC[NH2+]C2COC2CC1,0,GDB ChEMBL
352613,CCC(=O)C12CC(C)(CCC1(C)OC)CC2O,0,GDB ChEMBL
354471,CCOC1(C)C(C)C[NH+](C)C2CC21,0,GDB ChEMBL
22616,CC(O)CC(=O)CC1CO1,1,GDB ChEMBL
367595,CNC(=O)C1(C)CC(=O)C(C)CN1C,0,GDB ChEMBL
233443,CC1CC2(CCc3ccccc3C2C)C1,0,GDB ChEMBL
246362,CCCC1(C(CNC=O)[NH2+]C)COC(=O)OC1,0,GDB ChEMBL
215352,COC(=O)C1(O)CN2CCC=CC21,0,GDB ChEMBL
356827,CCCc1cc(=[NH2+])cc(C)sccc(O)c1C,0,GDB ChEMBL
308182,CC1CC2=CCC(=O)C2CO1,0,GDB ChEMBL
305294,CC(C#N)C1CC(CCO)CO1,1,GDB ChEMBL
321410,Cc1nc(C2C(=O)NCC2[NH3+])c(C)o1,0,GDB ChEMBL
244343,CCCCC1CCC(C)C(C)CC(C)C(C)C1,0,GDB ChEMBL
118161,COC(=O)NC(=O)C1C(=N)OCC1C,0,GDB ChEMBL
87047,CC1NC(=O)CCCC2C(O)C12C,0,GDB ChEMBL
336631,CC1[NH+]2CCC13CC2CC3O,0,GDB ChEMBL
103491,CNC1(C(N)=O)C(=O)COC1=O,1,GDB ChEMBL
151113,COc1cc(C)c(=N)c(C[NH3+])c(O)n1,0,GDB ChEMBL
24010,CCC(C)CC1C2(O)COCC12C#N,0,GDB ChEMBL
132181,COCC1C[NH2+]CC=CC(=NO)C1O,0,GDB ChEMBL
326468,CCC1CNCC(=O)C1C(CC=O)CC(N)=O,0,GDB ChEMBL
257526,CC(c1cn[nH]c1)C(C)([NH3+])c1cc(O)ccn1,0,GDB ChEMBL
185962,CC1CC(C)C(C(O)C(C)C2CC2)[NH2+]1,0,GDB ChEMBL
249847,COC(C[NH+](C)C(C)CC(O)C#N)C(C)C,0,GDB ChEMBL
138358,NC1(C(CC(O)CO)C(=O)[O-])C[NH2+]CC1O,0,GDB ChEMBL
75049,[NH2+]=C1NCCC2=C1CCC2CCCCC[NH3+],0,GDB ChEMBL
135379,CC12C=CCC1NC(=O)NC(=O)C21COC1,0,GDB ChEMBL
217079,C#CC(=C)C(C)CC(C=C)CC[NH3+],0,GDB ChEMBL
294791,CC1C=CCC2C[NH2+]C(C2)CC1O,0,GDB ChEMBL
250663,C#CC1(C)CCCC(C)(C)C(CC)CC1OC,0,GDB ChEMBL
172715,C#CCOc1c(F)nc(C=O)c2ccsc12,1,GDB ChEMBL
396739,CC(C)CC1C(=O)OC2(C)C=CC1[NH2+]C2C,0,GDB ChEMBL
146044,CCN1CC(C(=O)NC)C2CC([NH3+])C2C1=O,0,GDB ChEMBL
263841,[NH3+]C(C(=O)[O-])C12CC(O)C(OC1=O)C2O,0,GDB ChEMBL
112083,CC1C([NH3+])CC=CC(O)C1O,0,GDB ChEMBL
377825,CC(C)C1(CC2CCCC[NH2+]2)CC2CC1C2,0,GDB ChEMBL
119919,CCCOC(C)(CO)CC(O)CCCC[NH2+]C,0,GDB ChEMBL
355137,CCCC1([NH3+])C#CCCCCCC=C1,0,GDB ChEMBL
217023,CC1C=CCOCC(C(C)C)CC(C)C1,0,GDB ChEMBL
39799,CN1CC2N3C(=O)C(O)C1C23CC(N)=O,0,GDB ChEMBL
17286,CCOC1(C)CC(C)C(CC)OC1(C)C[NH2+]C,0,GDB ChEMBL
334142,CCOC(=N)CCC(O)CO,1,GDB ChEMBL
26363,CC(C(=N)NC(=O)N(C)C)C(C)C(N)=O,1,GDB ChEMBL
271061,CC1CN=C(OC(N)=O)CN(C=O)CCN1,1,GDB ChEMBL
338498,CCCN(C)C(C#N)CN,1,GDB ChEMBL
165260,COCC1[NH2+]C(CO)C(O)C1N,0,GDB ChEMBL
301423,CCC(=O)[N-]S(=O)(=O)C(O)C(N)C(N)=O,0,GDB ChEMBL
201402,CCC1CC(C)C2(CC)CC([NH3+])CC1C2,0,GDB ChEMBL
282259,O=C1CC(O)C23C[NH2+]CC2(O)C3CN1,0,GDB ChEMBL
291898,CCCCc1cc(C)cc(Br)c1C(C)CC=O,1,GDB ChEMBL
170418,CC1C[NH2+]C2C(O)CCNC12,0,GDB ChEMBL
41284,COC1CCOC2C(=O)OC1C2[NH2+]CCO,0,GDB ChEMBL
79599,CC(C)C([NH2+]C1CCCC1C)C1(C)CC1,0,GDB ChEMBL
109754,CC1=CCC2CN(CC[NH2+]2)C1,0,GDB ChEMBL
118853,CC[NH+](C)CC1(C)OC(C)C2C(C[NH3+])C21,0,GDB ChEMBL
288679,O=C([O-])CCC12CCC(O)C(C1)[NH2+]C2,0,GDB ChEMBL
215713,CC1C(O)C(=O)OCCN2CC12,0,GDB ChEMBL
40929,CN1CCC(=O)C=C(N)C1,1,GDB ChEMBL
285711,CNC(=[NH2+])NCC1OC1(CC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
208586,CCC1(C)C(C)OC(CO)C1(O)CC,0,GDB ChEMBL
93132,[NH3+]CCOC(=O)CC[NH2+]Cc1c[nH]c(CO)n1,0,GDB ChEMBL
272563,C#CCc1ccc(C)c2c1CC(C)C2,1,GDB ChEMBL
78619,CC[NH+]=C1NC(CO)C2OC2C1C[NH3+],0,GDB ChEMBL
77862,COC(C)CCCCC1OCC1CO,1,GDB ChEMBL
225426,CCCC1CC(CCO)C2(C)C(O)C2C1C,0,GDB ChEMBL
370241,CNc1ccc(O)c(C[NH3+])c(NC)sc(C)n1,0,GDB ChEMBL
79537,Cc1cc(C#N)c(N)nc(CN)oc(N)n1,0,GDB ChEMBL
274131,C[NH+](C)C1CC2CC(=[NH2+])NCC21CO,0,GDB ChEMBL
136504,C#CC(C#C)C1(C)CC(OCC[NH3+])CC[NH+]1C,0,GDB ChEMBL
124116,CCC1CC(=O)C(C)C1(C)C,1,GDB ChEMBL
76702,CN(CC[NH3+])CC(O)C(O)CO,0,GDB ChEMBL
201088,Cc1cc(=O)cc(CC(C)(C)O)nc1[O-],0,GDB ChEMBL
214008,Cc1nc(N)[nH]c(=O)c(=O)c1OCC(=O)[O-],0,GDB ChEMBL
56656,O=CCC[NH2+]CC1CCCO1,1,GDB ChEMBL
157704,FC(F)(F)C1C2CC(C[NH2+]2)OC1CC1CC1,0,GDB ChEMBL
305089,[NH3+]CC1C[NH+]2C3CC(O)C2C1C3,0,GDB ChEMBL
275586,C#CC(C(C)=O)C(C)(CC)Cc1cnccn1,0,GDB ChEMBL
392491,CC(NC(N)=O)C(O)CNC(N)=[NH2+],0,GDB ChEMBL
127749,CC(=O)Oc1nc(S(N)(=O)=O)sc1CC[NH3+],0,GDB ChEMBL
382541,Nc1nc(N)c2c(=O)[nH]cnc2n1,1,GDB ChEMBL
172718,CCCNc1c(N)cccc1N,1,GDB ChEMBL
281829,CC(C)[NH+]1CC=CC1CC(F)(F)F,0,GDB ChEMBL
388406,CC(C)CCCCC#CC1(CO)CC1,1,GDB ChEMBL
79486,C#Cc1ccc2cc1C[NH2+]C(C)CCC(C)O2,0,GDB ChEMBL
280450,O=C1CC(O)C2C3C[NH2+]C2C3N1,0,GDB ChEMBL
174048,CC(C)C1C[NH+](C)C(C)C2CC12,0,GDB ChEMBL
29221,COC1C(C)CCC(O)C=CC1[NH+](C)C,0,GDB ChEMBL
191283,CC(C)c1ccc2c(C(C)C)n(C)cc2c1,1,GDB ChEMBL
326486,[NH3+]C(CCC(=O)NC(=O)CO)CS(=O)(=O)[O-],1,GDB ChEMBL
222144,CC1CC(O)C(CO)C2(C)CC(CC2C)O1,0,GDB ChEMBL
307912,C#CCCC(O)(C#C)C(C)C,1,GDB ChEMBL
321932,Cc1occc1CC(O)C1CC1[NH3+],1,GDB ChEMBL
230391,CC1OCCC2C3CCC2C1[NH2+]C3,0,GDB ChEMBL
355008,CC1C[NH2+]CC2COC(C)(C)CCC1C2,0,GDB ChEMBL
227490,CCC1C2CCC(CC13CCC(C)O3)[NH2+]2,0,GDB ChEMBL
26937,NC(=O)CCc1conc1NC(=O)CC(N)=O,1,GDB ChEMBL
352828,COC1CCC2=CC=C(C)C=CC21,0,GDB ChEMBL
78637,COCC1CC(COC(C)C)(C(C)C)C(=[NH2+])N1,0,GDB ChEMBL
77502,CCC1C(CO)C2([NH3+])C(=O)NCC12,0,GDB ChEMBL
60956,CC1=CCC(C)(C)CC1Cc1ccc(C)s1,1,GDB ChEMBL
334134,CC(=O)CN(C=O)C1COC1,1,GDB ChEMBL
271082,C[NH2+]CCOc1n[nH]cc1O,0,GDB ChEMBL
94686,CC(C)CCNc1cn(CS(=O)(=O)[O-])c(N)[nH+]1,0,GDB ChEMBL
172333,NC(=O)NC(=O)C1CN1C=O,1,GDB ChEMBL
8639,CCC1=CCCC(C)CC=C(C)CC1,0,GDB ChEMBL
267904,CCCC1CN(c2cccc(F)c2O)C1,1,GDB ChEMBL
96108,CC(O)C1OC(=O)NC(C(N)=[NH2+])C1N,0,GDB ChEMBL
125561,Cc1c(NC=O)csc1S(N)(=O)=O,1,GDB ChEMBL
88152,CC1C(=O)OC(S(N)(=O)=O)CNC(=O)C1[NH3+],0,GDB ChEMBL
84945,Nc1ccnn2c3c(nc12)CC(C(=O)[O-])O3,0,GDB ChEMBL
18856,CC(C)C(C)CNC(N)=[NH+]C(C#N)CN,0,GDB ChEMBL
342364,C#CCC([NH3+])C(O)Cc1c[nH+]c(CC)cc1N,0,GDB ChEMBL
215729,CN1CC([NH3+])(c2cnnn2CC(=O)[O-])C1,0,GDB ChEMBL
38471,CCCC(=O)C[NH2+]CCOC=O,1,GDB ChEMBL
262541,CCCCC(C(O)CO)N1CCN=C1COC,1,GDB ChEMBL
118893,CN=C1CC(=O)C(C)(C(N)=NCC(O)CO)O1,0,GDB ChEMBL
290321,C#CC1=CC(CC[NH2+]C)[NH2+]C(C(C)O)C1,0,GDB ChEMBL
41323,CC1COC2C([NH3+])C(C(N)=O)CC12,0,GDB ChEMBL
186725,COC(C)C1CC2C=CCC1C21CC1,0,GDB ChEMBL
330041,CN(CC(N)C#N)C1CCC1,1,GDB ChEMBL
290172,Cc1nc(C(C)COC(C)(C)C)c(C)o1,1,GDB ChEMBL
252865,CC#CCNC(CNC)=[NH+]CC(O)CO,0,GDB ChEMBL
355018,CC1CC2(S(=O)(=O)[O-])CC[NH2+]C2C1C(=O)[O-],0,GDB ChEMBL
246391,CC(C(=N)N(C=O)C=O)C([NH3+])C(=O)[O-],1,GDB ChEMBL
156152,C#CC(C)C(O)CC1C[NH2+]C1,0,GDB ChEMBL
317983,C=CC1[NH2+]CCCC2=CCC(C)C21,0,GDB ChEMBL
317740,C#CC(C#N)C(O)C(N)C[NH3+],0,GDB ChEMBL
66694,CCCC1C=CCCCOC1,1,GDB ChEMBL
247529,CCc1cccc(C(C)C#CC(C)C)c1,1,GDB ChEMBL
284291,CC(C)C1(c2ccccc2F)CO1,1,GDB ChEMBL
273396,Cc1cnc2c(C(F)(F)F)c(C)c(C)cc2c1,1,GDB ChEMBL
648,CCC1C2CC(O)CC1CC(C)(C[NH3+])C2,0,GDB ChEMBL
222904,O=C1CNC(=O)C(CO)CS(=O)(=O)C1,0,GDB ChEMBL
75810,CCC1CC2(N)C[NH+](C)CCC(C)=CC2[NH2+]1,0,GDB ChEMBL
203229,C#CCc1ccc(CCC)c(Cl)c1C,1,GDB ChEMBL
39911,C#CC1CC(CCCO)C([NH2+]CC)C1,0,GDB ChEMBL
348703,C1CN2CC3(C[NH2+]1)CC2CO3,0,GDB ChEMBL
146929,Nc1ncnc2c1CCC2O,1,GDB ChEMBL
191558,CNc1ccc2c(n1)CNC2=[NH2+],0,GDB ChEMBL
121489,CC12CCC(CC(C[NH3+])C1O)OC2,0,GDB ChEMBL
111610,CCCc1cc(N)cc(N)cn(C)c(N)c1,0,GDB ChEMBL
29731,CCNCC[NH2+]C(C)CC,1,GDB ChEMBL
68628,CC(C)CCOC(C)(C[NH3+])CO,1,GDB ChEMBL
95166,CC[NH2+]C12CCC(CC1)C1CCCC(C)OC12,0,GDB ChEMBL
398187,COC1(C)C(=O)NCC1(CO)CS(N)(=O)=O,0,GDB ChEMBL
112058,CCCC1(C)CCC#CCC2CCC1CC2,0,GDB ChEMBL
83524,O=C(NCC1CC1)C1C(=O)NC1CO,1,GDB ChEMBL
293781,CCC(O)C1C(CO)[NH2+]C(C)C1N,0,GDB ChEMBL
105117,CC1OCC2CC1C(=O)[N-]S2(=O)=O,0,GDB ChEMBL
338391,[NH3+]C1CC[NH2+]CCC(O)C2CC12,0,GDB ChEMBL
345454,C#CCc1ccc(N)c(C(C)(C)CCC)c1,1,GDB ChEMBL
278107,CCOCC1=CCNC(=[NH2+])C1,0,GDB ChEMBL
168453,C#Cc1scc(CC)c1C(=O)[N-]C(=O)COC,0,GDB ChEMBL
296266,Nc1ccc2cc1C=CC1CCC(=C2)CC1,1,GDB ChEMBL
4768,CC(C[NH3+])C(O)C1OC(=N)NC(C(N)=O)C1O,0,GDB ChEMBL
249430,COC(=N)N1CCNC(CC(C)=O)C[NH+]=C1N,0,GDB ChEMBL
277074,C[NH2+]C(C)CC1CC1C[NH3+],0,GDB ChEMBL
206801,CCC1CC2(C)CCCC(C(C)C)C1C2(C)C,0,GDB ChEMBL
165195,CCC1CCC2C(C1O)C(CC)(C[NH3+])C[NH+]2C,0,GDB ChEMBL
847,CC1C2CC(C#N)CC2=CC2OCCCC21,0,GDB ChEMBL
208593,CCC1C(C)CC(n2cccc2)C1(C)C,1,GDB ChEMBL
266479,CCc1nccc(Nc2c[nH]nc2C[NH2+]C)n1,0,GDB ChEMBL
300564,CC[NH2+]C1CC2CC=C(C)COC1O2,0,GDB ChEMBL
219512,CC(=O)C1(CC#N)COC(=O)C1,1,GDB ChEMBL
70176,Cc1[nH]cc(-c2nccn2CCC(N)=O)c1N,1,GDB ChEMBL
291530,[NH3+]CCC(=O)NCC1COC(=O)S(=O)(=O)N1,0,GDB ChEMBL
267318,[NH3+]C1COC2CC(O)C(c3nccs3)NC12,0,GDB ChEMBL
118845,CC(=O)CCOC=NC(CO)CC(N)=O,0,GDB ChEMBL
227559,CC#CC(CCC)C1CCCC1C,0,GDB ChEMBL
177236,Cc1cccc2c1C1CC(C)CC3C2C13C,0,GDB ChEMBL
262229,C#Cc1[nH]c(COC(C)CC)cc1NCCO,1,GDB ChEMBL
77768,CC1=C2C(=O)NCC23CC(O)CC3C1,0,GDB ChEMBL
385642,NC(=O)OC(C=O)(C=O)CC(=O)[O-],0,GDB ChEMBL
366939,CC1(C(N)=[NH2+])CC(CO)OC1C(O)C[NH3+],0,GDB ChEMBL
311017,CCCCC1CCC(C(C)C)C2CC2C1C,0,GDB ChEMBL
12738,CC1CC2CC3(CC[NH3+])C(C2O)N13,0,GDB ChEMBL
328931,CN=C(N)S(=O)(=O)CC(C#N)C(=O)OC,0,GDB ChEMBL
202028,CNC(=O)C(O)(CC(=O)[O-])C(C=O)CC#N,0,GDB ChEMBL
220162,N#C[C-]([NH+]=C(N)N1CC1)C(=O)CO,0,GDB ChEMBL
374880,O=C1C=CC(C=NO)C(=O)NCCNCC1,1,GDB ChEMBL
134478,CCC1C(C)C2CC1(C)c1cccc(C)c12,0,GDB ChEMBL
308679,O=C1CC(=O)N(CC2CCCCC2)C1,1,GDB ChEMBL
250605,NC(=[NH2+])NC1CC(O)(C(O)CO)CC1N,0,GDB ChEMBL
81748,CCC(C)C(C)C1=CCC=CCCC1,1,GDB ChEMBL
31411,CC(=O)OC1CN(C=O)C(CC#N)C([NH3+])CO1,0,GDB ChEMBL
81633,CC1=CC2CC(C2)c2cccc(c2Cl)CC1,1,GDB ChEMBL
244651,C1=CCC2C3C=CC(C3)C2CC=C1,0,GDB ChEMBL
349464,CNC(CC#N)CC1=NCC(C)(O)C(=O)CO1,0,GDB ChEMBL
249413,CCC(=NC)OCC(OC)C(=O)C(=O)[O-],0,GDB ChEMBL
107029,CC1CC(=O)NC2CC1OC1CC2OC1=O,0,GDB ChEMBL
116656,Nc1cncc(C(CO)OC2CC2)c1Cl,0,GDB ChEMBL
285713,O=CC1CNC(=O)C(O)C(O)CC1(O)C(=O)[O-],0,GDB ChEMBL
270993,C#Cc1cc2c(c(CC)c1CC)CCCN2C,1,GDB ChEMBL
21686,CC1C[NH2+]C2CCCC(O)C12,0,GDB ChEMBL
382139,CC#Cc1c(CO)c(C=O)nn1CCC#N,1,GDB ChEMBL
307876,C#CC1C(C[NH3+])C(C2CC2OC)C(C)[NH+]1C,0,GDB ChEMBL
193194,CC#Cc1cncc(CC[NH3+])c(C)nc[nH]1,0,GDB ChEMBL
346862,C[NH2+]C(C(=O)CCCC#N)C1CC1C,0,GDB ChEMBL
171892,N#CC1C(O)C(CC(N)=O)CS1(=O)=O,0,GDB ChEMBL
235927,[NH3+]CC=C(C(=O)[O-])C1CC=CCO1,0,GDB ChEMBL
366476,CCC1CC(C(F)(F)F)CCC12CCCCC2,1,GDB ChEMBL
255972,C#CC(C)C(C)(CCCC)C1CCCCC1C,0,GDB ChEMBL
383058,C#CCNC1C([NH3+])C1CC(O)C(C)C,0,GDB ChEMBL
95529,CCC1CC2C(C)(C)OCC1C2(C)CC,0,GDB ChEMBL
111514,[NH3+]C1CC2NCC1(C(=O)[O-])OC2=O,0,GDB ChEMBL
384303,CC1(N)C=C(CC(=O)[O-])C[NH2+]C1,0,GDB ChEMBL
388397,COCC[NH2+]Cc1cnc(=O)[nH]c(=N)c1[O-],0,GDB ChEMBL
98638,O=C1CC(Cc2cnc[nH]2)NC1=O,1,GDB ChEMBL
214378,C#CCCC(=C)CCC=C(C)CC,1,GDB ChEMBL
221365,COC(N)=[NH+]C1CC2CC(C1)OC(C)(C)C2,0,GDB ChEMBL
227586,N#CCC(N)C1C([NH3+])C1n1ccnc1,0,GDB ChEMBL
310159,CC1C=CC2=CC=CCCCC(C)C21,0,GDB ChEMBL
324256,O=C1CC23NC(=O)OCCC2[NH2+]CCC3N1,0,GDB ChEMBL
59178,C=CC1CC(C)(C[NH3+])C(OC)C1C,0,GDB ChEMBL
11239,CC12CC(C(N)=O)NC(C[NH3+])C(O)C1O2,0,GDB ChEMBL
318358,CCCCC1CCC=CCC2(CC2)O1,1,GDB ChEMBL
236696,CC(C)C1C2CCCC(=O)C21,1,GDB ChEMBL
354738,Clc1cc2c(cn1)CC13COCCC1C23,0,GDB ChEMBL
216496,COC1C2CC(=O)NC1C1OC21,0,GDB ChEMBL
258003,C#CC1COC2OC(=O)C1N(C)C(C)C2C#N,0,GDB ChEMBL
152002,[NH3+]CCCOc1cc2nscc2c(=O)nc1[O-],0,GDB ChEMBL
19614,CCC(=O)NC(CO)C(C[NH3+])n1nc[nH]c1=O,0,GDB ChEMBL
107690,CCCCCC1C(CC)C=CC1C1CN1C,0,GDB ChEMBL
132680,CCC1CC(C(C)CC(C)C)C(C)(C)C1(C)C,0,GDB ChEMBL
190258,CCOC12C(=O)OC(C)(CC1O)C2[NH3+],0,GDB ChEMBL
170238,CCC1=CC2CCCCC2CC1C,1,GDB ChEMBL
177213,CC12NC(=O)C([NH3+])CC(C1O)C2S(N)(=O)=O,0,GDB ChEMBL
193791,Cc1nc(CCNC(=O)C2CN2)no1,1,GDB ChEMBL
391608,C#CC([NH2+]CC)C1COC2CC=CC1CC2,0,GDB ChEMBL
147253,N#C[C-]1C(=O)N(C(=N)N)C1C(N)=O,0,GDB ChEMBL
116065,CC1CCC(C)C(C)(O)CC1O,1,GDB ChEMBL
201432,CCNC(=N)N1C(C(=O)[O-])CS1(=O)=O,0,GDB ChEMBL
113621,C#CCCCOCC(O)Cc1csc(C[NH3+])c1,0,GDB ChEMBL
151804,NC(=O)c1cc(=O)c2nnsc2c([O-])n1,0,GDB ChEMBL
176539,[NH3+]C1CC2=CC(O)C1CCCOC2C(=O)[O-],0,GDB ChEMBL
353998,CC1CCC2C(CCC([NH3+])CCO)C12,1,GDB ChEMBL
47235,O=C1NCC2OC2C(CO)C(O)C(O)C1O,0,GDB ChEMBL
308242,C1=Cc2cc(OCCC3CC3)ccc2CC1,1,GDB ChEMBL
51027,CNc1c[nH+]cn1C(C)C(N)=O,1,GDB ChEMBL
4866,C[NH2+]C1C=CCCC=CCC1C(C)(C)C,0,GDB ChEMBL
304876,C[NH2+]C1CC(OC(C)=O)C(N)C1O,0,GDB ChEMBL
247622,COC(C)Cc1cn(C(C)CO)nn1,1,GDB ChEMBL
186599,CCCC1[NH2+]C(CC)C2CCCC(CC)CC12,0,GDB ChEMBL
22583,NC(C(=O)[O-])C1=NC(C[NH3+])CO1,0,GDB ChEMBL
340413,CC(C)N1C=CC=CC=CC1=O,1,GDB ChEMBL
228907,CC1(C(=O)c2cccs2)CC1,1,GDB ChEMBL
26813,CC1=CC2C3C[NH2+]CC(C1)[NH+](C)C23,0,GDB ChEMBL
281048,CCC1C(=N)OCC(C(O)C[NH3+])C1CC(=O)[O-],0,GDB ChEMBL
281033,Cc1cccc(CC(C)O)c1N,1,GDB ChEMBL
289952,COC(CO)CNC(=O)Cc1cnns1,1,GDB ChEMBL
203258,CCS(=O)(=O)CNCC(C)O,1,GDB ChEMBL
222150,C#CC(CC)[NH+](C)CC1(CCC)CC(C)C1,0,GDB ChEMBL
93722,CCC1CC(C)(C)C=CC=C1CCC(C)C,0,GDB ChEMBL
121490,CC1C2c3c(Cl)cccc3C1C1(C)CC21,0,GDB ChEMBL
66706,CC1C=CC(O)COC1=O,1,GDB ChEMBL
134776,CCC1=CCC(OC)C12CC2,1,GDB ChEMBL
338388,CC(O)(C(=O)C#N)C(=O)NC(N)=O,0,GDB ChEMBL
338358,[NH3+]C1CC23OC2C1OC(=O)NC3=O,0,GDB ChEMBL
389505,COCC1[NH2+]CC(O)(COC)CC1C,0,GDB ChEMBL
376976,CCC(C)C1=CC(CC[NH3+])C(C)(CC)C1,0,GDB ChEMBL
143783,CCCC(C)C1CCC(O)C(C=O)CC1(C)C,0,GDB ChEMBL
109764,COC(C)C1CC(C=O)C(=[NH2+])N1,0,GDB ChEMBL
190002,Cc1[nH+]c(N)n2c1N(C)C(=O)C2,0,GDB ChEMBL
225225,CC1Cc2[nH]c(=O)ccnc(C[NH3+])ccc2[NH2+]1,0,GDB ChEMBL
334589,CNC(=O)CC1(N)C[NH+](C)C(C(C)(C)C)C1C,0,GDB ChEMBL
45051,CCCC(C)C1CC(C2CC2)C(CC)C1C,0,GDB ChEMBL
190798,C#CC#CCc1cncc(C(C)CC)c1,1,GDB ChEMBL
324010,CCOCC(C(O)CC1C[NH2+]1)C(C)(C)O,0,GDB ChEMBL
9697,C#CCOCc1cn(C(=O)N(C)CC[NH3+])nn1,0,GDB ChEMBL
346544,CCCC(C)C[NH+](CCC=O)CC(=O)[O-],1,GDB ChEMBL
77277,CN1C(C(N)=[NH2+])C1(CC#N)C(=O)[O-],0,GDB ChEMBL
292199,[NH3+]CC1NC2CCC1C(O)C2CO,0,GDB ChEMBL
208253,CC1CC2(C)CC(O)CC3CCOC1C32,0,GDB ChEMBL
375145,COC1(C)CCC(C)(C[NH3+])CC1C(C)(C)C[NH3+],0,GDB ChEMBL
247519,CCC1CC2[NH2+]CC=CC2CO1,0,GDB ChEMBL
235949,C=C(C(=CC)CO)C(O)CC1CC1,0,GDB ChEMBL
317372,CC(O)C(O)C([NH3+])C(CNC(N)=O)C([NH3+])CO,0,GDB ChEMBL
201715,Nc1cncc(C2CN2)n1,0,GDB ChEMBL
280619,Cc1c(O)cncc1Cl,1,GDB ChEMBL
317557,CCC1COCC(C[NH3+])c2ncnc(N)c21,0,GDB ChEMBL
119808,C#CC[NH+]1CCCC12CCCCCC(C)C2,0,GDB ChEMBL
37654,C#CC1Cc2c(CC)ccc(F)c2C1C(C)C,0,GDB ChEMBL
287370,CC#Cc1cc(C[NH2+]C(C)C)c(CC)o1,0,GDB ChEMBL
367630,Fc1cccc(CCCCC(F)(F)F)c1,1,GDB ChEMBL
345757,CC1CCC(C)CC([NH3+])CC1,0,GDB ChEMBL
118349,CCC(C)C1CC(C)(C)C2C[NH2+]CC12CC#N,0,GDB ChEMBL
227311,CN=c1cc(NC(C)=O)ncc(C[NH2+]C)n1,0,GDB ChEMBL
377961,CCC1CC2C(C)C3C(=O)NC4CC1[NH+]2C43,0,GDB ChEMBL
38566,C#CC1CCC(=NCCOC)OC(C)C1(C)C,0,GDB ChEMBL
107044,Cc1cc(Cl)c2c(c1)C1C(O)C1C(C)CC2,0,GDB ChEMBL
166406,N#CC1C2COC1C(O)(CO)C2,0,GDB ChEMBL
353978,CCc1coc(N(C)CC)n1,1,GDB ChEMBL
130471,CC(O)(C(N)=O)C(CO)C([NH3+])CO,0,GDB ChEMBL
44326,CCc1cncc(F)c1C1CCC=C1C,1,GDB ChEMBL
377949,CN1CC(O)C(C#N)C2(CC[NH2+]C2)C1CC[NH3+],0,GDB ChEMBL
170466,CNC(=[NH2+])NC(C#N)C(=O)C(=O)NC,0,GDB ChEMBL
11246,CCC1CC2CC3(C1)CC(C)C2[NH2+]3,0,GDB ChEMBL
75848,CNC(=O)CCN1CC(N=CNC=O)C1,0,GDB ChEMBL
393943,NC(=[NH2+])OC1CC(=O)NCC1O,0,GDB ChEMBL
347930,CCS(=O)(=O)CC(O)C(=O)c1noc(C)n1,1,GDB ChEMBL
210729,CCCCC1CCCCC1,1,GDB ChEMBL
70061,C#CCC1(C)C([NH2+]C)C2C[NH+](C)CCC1(O)C2,0,GDB ChEMBL
374920,CC(C)C1CC2CC1(C)CCO2,0,GDB ChEMBL
353207,CC1CCC2C[NH2+]CC1C=CC(O)C2,0,GDB ChEMBL
65962,C#CC(O)C1CN1S(=O)(=O)CCC[NH3+],1,GDB ChEMBL
316161,CCC(CO)(C(=O)[O-])C1CS(=O)(=O)N1,0,GDB ChEMBL
304600,CC#CC(C)C(O)C(O)(C[NH3+])C(=O)N(C)C,0,GDB ChEMBL
37651,NC(=O)NCC1(OC(N)=O)C(=O)OC2CC21,0,GDB ChEMBL
70907,N#CC1CC(O)C2C[NH2+]CC2(O)C(C(=O)[O-])N1,0,GDB ChEMBL
318508,COC(C)CC(O)(C#N)C(C)CO,1,GDB ChEMBL
18850,CCC(CC=O)[NH2+]C1CCCC1,0,GDB ChEMBL
127138,CC1CC2C3[NH2+]CCCC(C)C23C[NH+](C)C1,0,GDB ChEMBL
127168,CCC1C=CC(C#N)(C2CCCC2C)C[NH2+]1,0,GDB ChEMBL
277705,CC(O)C1CC(C)C(O)C1O,1,GDB ChEMBL
274009,CCC1OC(C([NH3+])CO)C(OC)C(O)C1O,0,GDB ChEMBL
143775,CC(=[NH2+])NC(C#N)C(O)C1C([NH3+])C1C(N)=O,0,GDB ChEMBL
265476,C[NH2+]CC1CC1([NH3+])C(C)C,0,GDB ChEMBL
277713,CC1CC(O)CC2N=C(NC(=O)C2[NH3+])C1C#N,0,GDB ChEMBL
278250,N#CC(N)C1(O)C(CC(=O)[O-])C1C(N)=O,0,GDB ChEMBL
59197,COC(C)C(O)C(OCC=O)C(N)=O,1,GDB ChEMBL
263246,CC12CCCN1S(=O)(=O)CC(C#N)[N-]C2=O,0,GDB ChEMBL
87667,CCCC1CC[NH+]2CC1C1CC2C=C1C#N,0,GDB ChEMBL
188064,CCCCCC1C2C=CC1(C)C=CC2,0,GDB ChEMBL
395976,CCC1C(=O)NC(=O)NC=CC1[NH3+],0,GDB ChEMBL
375457,CC#Cc1c(C)cc(F)c(C)c1CC,1,GDB ChEMBL
195464,CCCc1ncoc(=O)cc(C(N)=O)sc1N,0,GDB ChEMBL
51372,CC(C(N)C([NH3+])CO)C(O)C(O)C[NH3+],0,GDB ChEMBL
284730,COC(=O)NCCCN(C(C)=N)c1c[nH]cn1,1,GDB ChEMBL
76733,CCOC(C)C(O)C1CO1,1,GDB ChEMBL
354998,CC1CC(C)(CC#N)C2CCC1CC2C,0,GDB ChEMBL
6850,CCCC(CCc1ncc(O)nc1Br)COC,0,GDB ChEMBL
262264,Cn1cc(C(N)=O)c(-c2n[n-]c(=N)s2)n1,0,GDB ChEMBL
73313,Cc1cc(C(C)C)c(Cl)c(C2CC2)c1C,1,GDB ChEMBL
362187,C[NH2+]CCCC1(C)C=CC=CCC1,0,GDB ChEMBL
291466,NC(=[NH2+])c1cnc(N)cc2nc(nc1N)CN2,0,GDB ChEMBL
32031,CCC[NH+](C1CC1)C1(C)CCC1CC,0,GDB ChEMBL
84991,CCc1c(Cl)c(C)cc2c1C=CC(C)(C)C2,1,GDB ChEMBL
387214,CCC1CCC(C)CC2C=CCC2(C)[NH2+]1,0,GDB ChEMBL
300134,C=CC1C(C)C2CC[NH2+]CC1(C)C2,0,GDB ChEMBL
298019,CC(O)C(N=c1cncn[nH]1)C(O)CO,0,GDB ChEMBL
274109,CS(=O)(=O)C(C(O)C(=O)[O-])n1ccnc1,0,GDB ChEMBL
140753,[NH3+]C1CNC(=O)C2(O)C(=O)OC12,0,GDB ChEMBL
209657,NCC[NH2+]CC1C2CCCOC1C2,0,GDB ChEMBL
104420,CC#Cc1cc(F)c(F)c(C[NH3+])c1N,1,GDB ChEMBL
142398,COC(=O)NCCCC(O)C1(C)CN1,0,GDB ChEMBL
74299,CC1CNC(=O)C2(N1)C1OCC(O)C12,0,GDB ChEMBL
262288,CCOc1cc(Cl)ccc1CO,1,GDB ChEMBL
104974,C[NH2+]CC(C)(O)C(O)C1NCC(CO)NC1=O,0,GDB ChEMBL
296419,OCc1csnnc1=NCCc1ccccc1,0,GDB ChEMBL
278880,Cc1c2cn(C)c1CCc1cnc([nH]1)CN2,0,GDB ChEMBL
28346,COC1OC2C(CN)[NH2+]CC2C1CCCO,0,GDB ChEMBL
82133,CC1CC2CCCOC3CC(C)(C)[NH2+]C(C1)C23,0,GDB ChEMBL
334693,CCC([NH3+])(CC)C1(C)CN(C)C(=O)C1C[NH3+],0,GDB ChEMBL
359120,CCC(C(O)C(C)C1CC1C)C(F)(F)F,0,GDB ChEMBL
4882,CCC(=O)C(O)CC1(C(N)=O)COC(=NC)N1,0,GDB ChEMBL
279237,CCC1CCCC2CCCC[NH+](C2)C1CC,0,GDB ChEMBL
316467,O=CC1C[NH+]2CCCOC3C2C13O,0,GDB ChEMBL
88125,CCC(C)C1(CC(F)(F)F)CCCC1,0,GDB ChEMBL
318808,COC1OC(C)CC(C)=CC1[NH3+],0,GDB ChEMBL
133992,[NH2+]=CN1C(C(=O)[O-])C1C(O)CC[NH3+],0,GDB ChEMBL
378590,C#CCCCC1NC(=[NH2+])NCCC(C[NH3+])C1O,0,GDB ChEMBL
331142,CC1CC2CC(O)C1C(C[NH3+])C2(C)C#N,0,GDB ChEMBL
126912,CC(C)C[NH2+]C1COC2CC(C)C=C12,0,GDB ChEMBL
324053,C[NH2+]CC1CCCc2onc(C(=N)N)c21,0,GDB ChEMBL
35709,O=CNC(=O)CC(=O)c1cn[nH]c1,1,GDB ChEMBL
212592,COc1cc2c3c(c1Cl)C([NH3+])CN3CC2,0,GDB ChEMBL
279958,COC(=O)C1OC12CS(=O)(=O)NC2C(=O)[O-],1,GDB ChEMBL
95594,CC([NH3+])CN1C(=[NH2+])NC(CO)C1CC[NH3+],0,GDB ChEMBL
106023,C[NH2+]C1CC(C(C)[NH2+]C)CC2(C)CC[NH2+]C2C1,0,GDB ChEMBL
354134,CCC1(C(=O)[O-])OC(C)CC2COCC21,0,GDB ChEMBL
383032,CC[NH+]1CCC(C)(C)C2(CC1)CC2,0,GDB ChEMBL
304128,CCCC1C(CO)C([NH3+])CCC1C1CN1C,0,GDB ChEMBL
5214,O=C([O-])CNS(=O)(=O)Oc1ccc(Br)nc1O,0,GDB ChEMBL
7372,C[NH2+]C1COCC2CC(O)C1C2[NH3+],0,GDB ChEMBL
395617,NC(=[NH2+])NC1CC=C2NC(=O)OC21,0,GDB ChEMBL
350320,C[NH2+]C1CC(C)C2C=CC=CC12C,0,GDB ChEMBL
187224,C#CC(C(O)C=O)N(C)c1cc(I)ccc1C,0,GDB ChEMBL
87508,CCC(=O)C1(CCO)C=C(C)CC1C(C)=O,0,GDB ChEMBL
20745,N#CC1(N)COC(=O)NC12CC2,1,GDB ChEMBL
136469,CCCC(C(C)C)C([NH3+])CC(C)C(C)(C)CC,0,GDB ChEMBL
38203,CC(C(=O)[O-])C([NH3+])C1CC1,1,GDB ChEMBL
193265,O=C([O-])CC1(O)CC(O)(CO)C1,1,GDB ChEMBL
47407,NC(=O)C1NC(=[NH2+])CC1(O)C#CCCO,0,GDB ChEMBL
174284,CC1OC1C(=O)C1CCC[NH+]=C(N)N1,0,GDB ChEMBL
305485,CC=C1C=CCC([NH2+]CCC)C1N,0,GDB ChEMBL
234505,[NH3+]C1C2COCCC1C(O)CN2,0,GDB ChEMBL
252750,C#CC[NH2+]C(C)C(O)C(C)=O,0,GDB ChEMBL
119798,NC(=O)N1CC2CS(=O)(=O)C=CC1CC2O,0,GDB ChEMBL
372708,COC1CN2CC2CC1NC(N)=O,0,GDB ChEMBL
298089,CCC(CC(=O)[O-])C(CC=O)C(C)=O,0,GDB ChEMBL
346517,N#CC1(N)C[NH+]=CNC(C(=O)[O-])C1N,0,GDB ChEMBL
107824,CCCC(C[NH2+]CC)N1CC1C1CC[NH2+]C1,0,GDB ChEMBL
244576,CCCCCC1(C)C(C)C(C)CCC(C)C1O,0,GDB ChEMBL
381506,COC1(CC(=O)C(=O)[O-])CC(CO)=CC1O,0,GDB ChEMBL
321839,CC1CCCC(C)C1C1CCCC1C1CC1,0,GDB ChEMBL
208594,CC1CCC2CC3(CCC(C)N3C=O)CC2C1,0,GDB ChEMBL
392237,CCC12CC([NH3+])CNC1C1CC1C(=O)O2,0,GDB ChEMBL
203626,CCc1cc(Br)cc(C(C)(C)C)c1C,1,GDB ChEMBL
338943,CC1OC2(OC1C)C(C)CC(C)[NH+](C)C2CO,0,GDB ChEMBL
119855,CCC1(C)C(CC(C)C)CC2C=C(C)CC21,0,GDB ChEMBL
300966,Cc1cc(C2CC2)cc(C)c1N(C)C,1,GDB ChEMBL
288107,C=CCC1(C(C)CC)CC=CCC1,1,GDB ChEMBL
372612,C=CCC=CCC(C)CC1(C)CC1,1,GDB ChEMBL
225447,CC1(O)C[NH2+]CC(N)C(C(N)=O)OC(=O)C1O,0,GDB ChEMBL
263520,CN(C)c1nc(C(C[NH3+])C(=O)[O-])nn1CC#N,0,GDB ChEMBL
215879,CC12C=CC3C(c4cc(F)ccc4C1)C32,0,GDB ChEMBL
132873,COc1cc(CC(C)C=O)ccc1C(C)(C)C,1,GDB ChEMBL
201384,C#CCC(c1c(F)cc(F)c(C)c1F)C(C)C,1,GDB ChEMBL
387342,CC1C=CC2(CCNC(=O)C2O)C(O)C1,0,GDB ChEMBL
228784,C#Cc1ccc2c3ccc(N)cc3cn2c1,1,GDB ChEMBL
177881,C[NH2+]Cc1nonc1C,0,GDB ChEMBL
204643,C#Cc1ccccc1CC(C)(CCO)[NH+]=CN,0,GDB ChEMBL
267338,CC1C(O)C(=O)C(C)(C)C(C(N)=O)C1C#N,0,GDB ChEMBL
362389,CC(O)C1[NH2+]CC(C)C1(O)C[NH2+]CCO,0,GDB ChEMBL
296351,CN1CC(C)(C#N)C2NC(=O)NCC2(C)C1,0,GDB ChEMBL
184664,Cc1nonc1CN1C=NC(C[NH3+])C1=O,0,GDB ChEMBL
34797,CCN1CC2C(OC(N)=O)C1C2(C)[NH3+],0,GDB ChEMBL
177050,COC1CC(C)=CC(C)C1C[NH3+],0,GDB ChEMBL
371730,CCOC1CC(c2ccc(NC)nc2F)C1,1,GDB ChEMBL
73871,C[NH2+]C1COC(N)=NC(C)(C(N)=O)C1N,0,GDB ChEMBL
322864,C#CCCC(C)(C)OCCCC,1,GDB ChEMBL
29983,CC1(OS(N)(=O)=O)C[NH+]2CCC1C2,0,GDB ChEMBL
344363,C#CC1[NH+]=C(N)N(C)CC2CC2(C)C1O,0,GDB ChEMBL
186577,CC(=O)NCC1OC2CC(O)C(N=CO2)C1O,0,GDB ChEMBL
47507,C#CCC(C(C)C)C(C#C)[NH2+]C,0,GDB ChEMBL
278231,NC(=[NH2+])CCc1ccnc(CC(N)C[NH3+])n1,0,GDB ChEMBL
136417,Cc1ccn(C)cc(C#N)cc(C(C)C)c1O,0,GDB ChEMBL
148336,NS(=O)(=O)OC1CNC(=O)C1CO,1,GDB ChEMBL
39683,CCC(=O)Oc1cc(C)c2nsc(=N)nc2c1,0,GDB ChEMBL
84590,CC#CC#CCCC1(CC)CCCC1,1,GDB ChEMBL
39708,CC[NH+]=C(N)NC(=N)OCC#N,0,GDB ChEMBL
304817,CC(C)C1CC2CC2[NH+]1C,0,GDB ChEMBL
267337,C#CCC(CC([NH3+])C(CC)[NH2+]CC)C(C)C#C,0,GDB ChEMBL
155094,CC(O)C1OC(=O)NCC1C(=O)[O-],0,GDB ChEMBL
147241,C#CC(CC(N)=O)NC(C)=O,1,GDB ChEMBL
77295,Nc1cc(O)cc2c1C1CC1C2,1,GDB ChEMBL
378304,CCC1(O)COCC1(C[NH3+])COC,0,GDB ChEMBL
251048,NC1=NC(C(=O)[O-])C2[NH2+]CC2O1,0,GDB ChEMBL
144537,CCC(NCc1ncns1)C(=O)C(N)=O,1,GDB ChEMBL
306400,C#CCC(CC(C)(C)C)C(C)(C)OC,0,GDB ChEMBL
259352,C#CCC1CC2CC([NH2+]CC)CC(C)C12C,0,GDB ChEMBL
362598,CCCC(O)C(C)(C(=O)[O-])S(N)(=O)=O,0,GDB ChEMBL
5335,NC(=O)CN(C(=O)CO)C(=O)C1CN1,1,GDB ChEMBL
338824,Cc1c(N(C)C=O)ccc2cc(Cl)ncc12,1,GDB ChEMBL
385644,COC1OC(=O)CCS(=O)(=O)NC1C,1,GDB ChEMBL
362062,CC(C)C1(O)CC(=O)NC2CCC21C,1,GDB ChEMBL
120516,CC(C)(C)C#CCCC[NH2+]C1(C)CC1,0,GDB ChEMBL
177990,O=C1NC2(CC2)C(=O)OCC1O,1,GDB ChEMBL
358894,CCCc1cc(F)ccc1C(C)N1CC1,1,GDB ChEMBL
190225,CC(C)(O)C(CCO)CCc1cnc(F)cn1,1,GDB ChEMBL
377955,CNC(=[NH2+])[C-](C#N)C(=O)NC,0,GDB ChEMBL
7371,CCC[NH+]1C2CCCC1C1CCC12,0,GDB ChEMBL
121076,C#CCN1CC(C=O)(C(O)CC)C1C,0,GDB ChEMBL
203454,CCC[NH2+]C(C)C1(C#CC(C)C)CC1,0,GDB ChEMBL
129850,COC1OCC2[NH2+]CC1CC(OC(N)=O)C2O,0,GDB ChEMBL
190119,C#CC([NH3+])C(CO)N1CCC1COC,1,GDB ChEMBL
127465,CC(C)(CO)[NH2+]C1C(=O)NC(=O)C2CC1O2,0,GDB ChEMBL
203451,C#Cc1c(Br)c(C[NH3+])cc(Br)c1C(CC)CC,0,GDB ChEMBL
398994,CCC1(O)COC(C23CC(CC2C)C(=O)O3)C1,0,GDB ChEMBL
177218,CC1COCC(C[NH2+]C2(C)CC2)N1,0,GDB ChEMBL
200584,CCC1CC2CCC(=O)C2NC(=N)O1,0,GDB ChEMBL
26916,CCCCN(CC(C)(C)O)c1cn[nH]c1,1,GDB ChEMBL
18902,CC(O)C([NH3+])C(N)C(CCC(N)=O)C(O)C[NH3+],0,GDB ChEMBL
398958,CCc1nc(N)cnc(O)nc(O)cc1C#N,0,GDB ChEMBL
201689,CCS(=O)(=O)CC1=NCC(O)CO1,1,GDB ChEMBL
376007,C#CC[NH+]1CCCC2C=C(C1)C1CC21,0,GDB ChEMBL
200998,C[NH+]1CC(NC=O)CCC2CC1C(O)C2C[NH3+],0,GDB ChEMBL
175696,N=c1nc(N)cnn1CCCO,1,GDB ChEMBL
95609,Cn1cc2c(N)c[nH]c(=O)c2n1,1,GDB ChEMBL
186619,CC12CCCC(CCOCC3CC[NH+]=CN31)C2,0,GDB ChEMBL
221141,CCC1CC2C#CCCCOC(C2)C1,0,GDB ChEMBL
38176,CC(=O)COC(=O)CC#Cc1ncn(C)n1,1,GDB ChEMBL
259117,CCC(C)CC(C)(CC(C)CC#N)C(C)CC,0,GDB ChEMBL
79498,CC1C[NH+](C)CCCC(C)(CC(F)(F)F)CO1,0,GDB ChEMBL
17510,O=[N+]([O-])c1c(S(=O)(=O)CCO)ccnc1I,1,GDB ChEMBL
235939,CC(C(=O)[O-])[NH+](C)CC(C)(C)S(=O)(=O)[O-],0,GDB ChEMBL
378261,CC1=CCC2[NH2+]C(C)CC2C1,0,GDB ChEMBL
59718,N#CC1[N-]S(=O)(=O)C(NC(N)=[NH2+])=NCC1O,0,GDB ChEMBL
338914,CCC1(C)CCC(C)CCCCC1C,0,GDB ChEMBL
67825,C#CCN1CCC2CCC(C#N)C2C(C)C1=O,0,GDB ChEMBL
380579,N#CCC1C2C(O)C([NH3+])C(=O)N12,0,GDB ChEMBL
133201,N#CCC(C[NH3+])COC=O,1,GDB ChEMBL
234408,CC1C2CC(O)CCC(O2)C1[NH3+],0,GDB ChEMBL
273803,CS(=O)(=O)C1C(O)C[NH2+]C1CO,0,GDB ChEMBL
48495,CCCOCCCC(C)Cc1cccc(F)n1,1,GDB ChEMBL
179449,CCC1CC2C3C4C[NH2+]CC4C2C13,0,GDB ChEMBL
380354,C[NH+](C)CCC1C=CC(CO)[NH2+]1,0,GDB ChEMBL
58489,Cc1nc(O)cc(C[NH3+])c(N)c1=O,0,GDB ChEMBL
98603,C[NH2+]CC1(C[NH+]2CCCCCC2)CN1,0,GDB ChEMBL
333103,COC1(C(=O)C(N)=O)CC2CC(O)(CO2)C1,0,GDB ChEMBL
294817,Cc1cccc(C(=O)Nc2ccsc2N)n1,1,GDB ChEMBL
392740,CN1CC2C3C1C(O)C(=O)C23C,0,GDB ChEMBL
112394,C=CC(O)C(CC)[NH+]1CC(CC)C1,0,GDB ChEMBL
191276,CCOCC1OCC(CO)C1(N)C#N,1,GDB ChEMBL
162477,CC1=C(C)NC(=O)NC(=O)CCC(=O)NC1,1,GDB ChEMBL
173993,CCNC(=O)C(C)C[NH+]1CCCN2CC1C2,0,GDB ChEMBL
307516,C#CS(=O)(=O)[N-]C(=O)C(C)NC(N)=[NH2+],0,GDB ChEMBL
17075,CC1C(O)C([NH3+])CNC1C1CO1,0,GDB ChEMBL
107057,CC(C)C1C2CCCC(CCC1C(C)O)C2,0,GDB ChEMBL
6106,CCC1CC=CCC(C(C)[NH3+])=CCC1,0,GDB ChEMBL
19406,CC[NH+]1CCC(C)(C)C(CCC(C)(C)CC)C1,0,GDB ChEMBL
12794,CCCCCCCc1ncncc1O,1,GDB ChEMBL
147605,CCC1CC[NH2+]C(CN)C2C(O)C2C1OC,0,GDB ChEMBL
26600,NC(=O)CN1C2CN(C2)C2COCC1C2O,0,GDB ChEMBL
7424,OC1CC[NH2+]CC(C2CCC2)OC1,0,GDB ChEMBL
225483,CC(=O)OCC([NH3+])(CO)CC1COCC(C)N1,0,GDB ChEMBL
175524,CC1C2OCOC12CC(=O)[O-],0,GDB ChEMBL
323144,CC[NH2+]C1CC2N(C)C12CO,0,GDB ChEMBL
174698,CC1(C)CC2CCCC1c1c(Cl)cc(Cl)cc12,0,GDB ChEMBL
153700,CC(C)C1CCc2c(CC[NH3+])c(Cl)nc(Cl)c21,0,GDB ChEMBL
120697,CCN(C)c1cc(I)ccn1,1,GDB ChEMBL
277899,C[NH2+]C1CC2C3CCC(C3)[NH+]2C1,0,GDB ChEMBL
386562,C[NH2+]CCOCC(C)CCC1CC(=O)C1,1,GDB ChEMBL
350918,CC1OC2(CCC(NC(N)=[NH2+])C2)C(O)C1O,0,GDB ChEMBL
235539,Cc1ccc2c(c1F)C(C(C)(C)C)CC2C,0,GDB ChEMBL
286326,CC1C2CC([NH3+])CC1(CC#N)C(CC(N)=O)O2,0,GDB ChEMBL
174798,Cc1c[nH]c2cc(F)cc(C)c12,1,GDB ChEMBL
22571,CC12C(=O)NC(CCN1C=O)C2O,0,GDB ChEMBL
70998,CCc1c[nH]cc1CC#N,1,GDB ChEMBL
89383,CN=C(CCC(C)C)NC(=O)C(F)(F)F,1,GDB ChEMBL
352626,CC#CC1CC1COCCC,1,GDB ChEMBL
266509,CC1CCCCCC(C)(C)C2C[NH2+]C2C1,0,GDB ChEMBL
101500,C#CC(C)CC(=O)n1cc(OC)c(OCC)c1,0,GDB ChEMBL
267330,CCCC1CC2C1CCNC(=O)N2C,0,GDB ChEMBL
33535,CCCCC(CC)C1C2CCC(C)(C2C)C1C,0,GDB ChEMBL
59000,OC1(COC2CC2)CC=CCC=CC1,1,GDB ChEMBL
366548,CC1CC#CCCCC(C)CC1,1,GDB ChEMBL
354962,CN=C1C=C(C)CCC(=O)N1C,0,GDB ChEMBL
281946,CCCC(C[NH+]=C(N)NCC)C1(C)CCCO1,0,GDB ChEMBL
203767,C#CCCC(C=C)CCCC=CC,1,GDB ChEMBL
252527,CCC(C[NH2+]C)C1COC2C3C=CC(C3)C12,0,GDB ChEMBL
193767,CC1(C(=O)[O-])C[NH+](C2Cc3cnoc3C2)C1,0,GDB ChEMBL
378306,CCCC1(C)CC2CC2CC1(C)C[NH2+]C,0,GDB ChEMBL
243337,Cc1c(N(C)CCC(N)=O)c(N)cn1C,1,GDB ChEMBL
184485,C#CC1C=C2CCC(C)CC2(C)C1CC,0,GDB ChEMBL
148532,C[NH2+]CC(O)(CC(C)[NH2+]C)C(=O)[O-],0,GDB ChEMBL
48499,COC1COCC2CC(O)C(O)C1N1CC21,0,GDB ChEMBL
172726,CS(=O)(=O)N1C2CCCC1C(O)(C(=O)[O-])C2,0,GDB ChEMBL
379717,C#CC1(C)CCCCC(CCCC)CCCC1,0,GDB ChEMBL
109724,CC(O)C(C[NH+]=C(N)N(C)C)C(N)=[NH2+],0,GDB ChEMBL
259154,N#CC1C=Cc2ccc(F)c(c2)C=CCC1,1,GDB ChEMBL
387049,C[NH2+]CC(NC=O)C1CCC(N)=[NH+]1,0,GDB ChEMBL
376038,CCC[NH2+]CC1C=CC=CC(C)CC1,0,GDB ChEMBL
218843,C[NH2+]C1C(O)CC(C)(OC(N)=O)C1NC=O,0,GDB ChEMBL
234470,C#CCCCC1CC(CC(C)(CC)CC)C1,0,GDB ChEMBL
177337,CC1C(NC(N)=[NH2+])C1NC(N)=O,0,GDB ChEMBL
215815,CCCCCC(=NO)C(C1CC1)N(C)C=O,1,GDB ChEMBL
388402,CCCC1[NH2+]C(C)C2(CO)CCCC12,0,GDB ChEMBL
186548,CCC1C2C(CCC[NH+]2CC)CCC12CC2,0,GDB ChEMBL
348566,[NH3+]CCOC1CCOC1CCO,0,GDB ChEMBL
399016,CC(=O)OC(C(CO)CO)C(CO)[NH+]=C(C)N,0,GDB ChEMBL
225478,COC(=O)C1C(C)N1C1CC1C,1,GDB ChEMBL
379748,CC1CC(OC(N)=O)C2NC12,0,GDB ChEMBL
169398,N#CCC(CO)C(=[NH2+])NCC(=O)C(N)=O,0,GDB ChEMBL
354852,CC1CN(C)C2C[NH+]1C1CC21,0,GDB ChEMBL
148542,CCCOCC1C=Cn2cccc2O1,0,GDB ChEMBL
338994,C#CC1CC2(CC(C)C(O)C2)C[NH+]1CC,0,GDB ChEMBL
208383,CCc1c(C)[nH]c2ncc(CC(C)C)c(F)c12,0,GDB ChEMBL
369320,COC(=O)CC(CO)CC1(O)CC1O,0,GDB ChEMBL
314158,C[NH2+]C1C2CC(C)(C(C)=O)C1CC2C,0,GDB ChEMBL
331519,CC1[NH2+]C(CCO)C(O)CC2C[NH2+]CCC21O,0,GDB ChEMBL
124225,CC(=O)c1cc(C(=O)[O-])ncc1CNC=[NH2+],0,GDB ChEMBL
228467,COC(=O)[N-]C(=O)C(=N)NC(N)=[NH2+],0,GDB ChEMBL
227308,CCc1c(O)c(COC)cn1C1CC1C[NH3+],0,GDB ChEMBL
204834,CC1CC(C)(C2CCCC2)C2CCCCC1C2,0,GDB ChEMBL
191522,COc1cc(=N)[nH]c(NC(N)=O)n1,1,GDB ChEMBL
75819,CCC1(C)CCCC(c2ccccc2)CCC1,1,GDB ChEMBL
39920,CCC(CC1CC1)C1=CCCCC=C1,1,GDB ChEMBL
156111,COCC[NH+]1CC(C=O)NCC2CC(O)C21,0,GDB ChEMBL
277087,CCCC1CC=CC2OCC(C)C12,0,GDB ChEMBL
294745,COC(=O)CC(=O)C(CO)=N[O-],0,GDB ChEMBL
217138,COC(C)C[NH2+]CC(C)O,1,GDB ChEMBL
219513,CCOCC1CC2C(=N)OC1(C)CCCC2C,0,GDB ChEMBL
173840,C[NH2+]C1CC(C)C2COC(C2)C1N,0,GDB ChEMBL
308239,COC(C#N)C(C=O)(C=O)C(=O)NC(N)=O,0,GDB ChEMBL
23965,CC(C(=O)C[NH+](C)C)C1(OC(N)=O)CC1,0,GDB ChEMBL
75045,CC1CC(O)(CNc2n[nH]cc2C#N)C1,1,GDB ChEMBL
313762,CC(=O)NC12C[NH2+]C(C)(C)C1COC21CC1,0,GDB ChEMBL
382488,CCC(C)[NH+]1CC#CCCC(C)=CC1,0,GDB ChEMBL
37598,CCCCOCCCCCNC(=[NH2+])OCC,0,GDB ChEMBL
73273,CC1C[NH+]2C(C)C3CCC2C1N3C,0,GDB ChEMBL
286845,CC1NC(=O)C2N(C)C(=[NH2+])C12C[NH3+],0,GDB ChEMBL
195383,[NH2+]=C1NCC2OC(=O)C(N1)C(O)C2[NH3+],0,GDB ChEMBL
290018,CC1CCC2C(C(C(F)(F)F)C1)C2(C)C,0,GDB ChEMBL
84227,N#CC(C(=O)[O-])C1C2CCCS(=O)(=O)N21,0,GDB ChEMBL
28169,CC1(O)CC[NH2+]CC12CCC2,0,GDB ChEMBL
378885,CCC1=CC(O)C(C#N)CC(=O)C=C1,0,GDB ChEMBL
317737,CN1CC2OC(=O)C1C(C)(C)C1(CC1)C2O,0,GDB ChEMBL
338578,N=C1NC2=NCC(CO)CC2(C(O)C(=O)[O-])O1,0,GDB ChEMBL
208409,CCC1C[NH+]1CC(C)CC(C)(C)C,0,GDB ChEMBL
227295,CC1C=CNC(=O)CC(=O)O1,1,GDB ChEMBL
204425,CC1CC2(C[NH2+]1)[N-]C(=O)OC2C#N,0,GDB ChEMBL
191370,FC(F)(F)C1CCCCCCC12CC2,0,GDB ChEMBL
122945,CC[NH2+]CC1(C)C[NH2+]C1CC(C)(C)OC,0,GDB ChEMBL
254938,CC(C)C1CC(CCC(F)(F)F)=CC1C,1,GDB ChEMBL
310149,N#CCCC(CO)NCC[NH3+],0,GDB ChEMBL
148504,CCC1(O)C(C)C2CN(C)CC([NH3+])C1(C)O2,0,GDB ChEMBL
210402,CC1CC(C)(CCO)C([NH3+])C1C,0,GDB ChEMBL
207927,C#CC(COC)CC1CCC(C)C(CC)CC1,0,GDB ChEMBL
259093,C#CCC(c1cc(C)c(F)cc1F)C([NH3+])CC,0,GDB ChEMBL
306310,C=C(C)C1CCCC=C(C)C(C)C1,1,GDB ChEMBL
271863,NC(N)=[NH+]C1C(C=O)NC(=[NH2+])C1CC(=O)[O-],0,GDB ChEMBL
352666,O=C([O-])C(CCN1CC1)c1ncc(CO)s1,0,GDB ChEMBL
159706,CCOC(CC(C)C)C(C)C1(C)CCCC1C,0,GDB ChEMBL
132526,CCCC(CC)CC1(O)CC([NH2+]C)C1,0,GDB ChEMBL
99852,C#CCCC1(C)CC(C)C([NH3+])C(O)CC[NH+]1C,0,GDB ChEMBL
330943,CC1OC(=O)C(O)C2NC(=[NH2+])NC12,0,GDB ChEMBL
59210,CC[NH2+]C(C)C1OCCNC1C,0,GDB ChEMBL
363144,CCOC(=O)C(O)C(=O)OCCC(=O)[O-],1,GDB ChEMBL
316332,C[NH2+]Cc1[nH]cc(C(C)C[NH+](C)CCO)c1C,0,GDB ChEMBL
383062,C#Cc1nc(CO)cc(C(CC)CCC)c1F,0,GDB ChEMBL
6030,[NH3+]C1COc2c1cc(Br)c1[nH]c(CO)nc21,0,GDB ChEMBL
283274,O=C1NCCC(=O)c2ocnc21,1,GDB ChEMBL
372725,NC1C2C1([NH2+]CCCC[NH3+])CNS2(=O)=O,0,GDB ChEMBL
216589,CC1=CCC#CCCNC(=O)C1,0,GDB ChEMBL
62797,CC1([NH3+])C[NH2+]CCC(O)(C2CCCO2)C1,0,GDB ChEMBL
363822,CC1OC(=O)NC1C1([NH3+])C(C(N)=O)C1(C)O,0,GDB ChEMBL
153328,CC[NH+]1C(C)C2=CC(O)C3(C)CCCC1C23,0,GDB ChEMBL
81014,CC12CC3C(CCC(C)(C)C3C1)O2,0,GDB ChEMBL
398996,CC1Cc2cc(N)c(C[NH3+])c(Cl)c2O1,0,GDB ChEMBL
39712,Oc1nc2cc(Cl)cc(Cl)c2s1,1,GDB ChEMBL
296083,CCC(O)C1COCCN(C)CC(N(C)C)=[NH+]1,0,GDB ChEMBL
211127,Cc1cc(Br)c2c(c1)CNC(=O)CNC2,1,GDB ChEMBL
382163,CCC1CC(C)CC(C)C([NH3+])C1(O)C(F)(F)F,0,GDB ChEMBL
299960,Clc1cccc2cnnc(NC3CC3)c12,1,GDB ChEMBL
126840,CC1CC(C)C(O)C(C)O1,1,GDB ChEMBL
375123,CC1=CCC=CC=CCC(C)CCC1,0,GDB ChEMBL
184929,CCCCC(=O)CCc1cocc1N,1,GDB ChEMBL
371711,CC1=CC(CO)(C(C)C)CC1,1,GDB ChEMBL
113543,C[NH+]=C(N)N1CC(C=O)(NC(=O)CO)C1,0,GDB ChEMBL
202477,C#CCCC[NH+](C)CC(C)(C)CCCCC#N,0,GDB ChEMBL
215463,NC(=O)CC([NH3+])CN1CC1S(N)(=O)=O,0,GDB ChEMBL
201103,CC(C)S(=O)(=O)NC(C=O)C1=[NH+]CCN1,0,GDB ChEMBL
210195,C#CC1CNC(=O)C2CC(=O)OC12,0,GDB ChEMBL
371741,CC(=O)CCCC1C#CCOCCCC[NH2+]1,0,GDB ChEMBL
270043,C#CCc1ccc2c(c1O)CC(O)C(C)CO2,0,GDB ChEMBL
379417,CC1(O)CCN(S(C)(=O)=O)C1C(O)C(=O)[O-],0,GDB ChEMBL
39690,C#CC(C)N(C)c1cc(CC(C)C)ccc1C,1,GDB ChEMBL
297289,C#CCC1C(NC(N)=[NH2+])C1(C)C#N,0,GDB ChEMBL
358087,CCC1CC2C3CC1(C)C2C(C)O3,0,GDB ChEMBL
117327,CCC[NH2+]CCC(CCC#N)(COC)C(=O)[O-],0,GDB ChEMBL
140291,Cc1ccc(OCCO)nc1Cl,1,GDB ChEMBL
79272,CC1CCC2C(c3cccc(Br)c3)C12,1,GDB ChEMBL
352718,CCCC(CC(C)C)CC(CC)C(C)(C)CC,0,GDB ChEMBL
334485,C#CC(c1ncco1)C1CCOCCC[NH2+]C1,0,GDB ChEMBL
190019,Cc1nc2c(nc1C)OC(C([NH3+])CC[NH3+])CO2,0,GDB ChEMBL
244309,C#CC[NH2+]CCc1ccnn1C(=O)OCCO,0,GDB ChEMBL
98549,C[NH2+]Cc1cc(-c2noc(C)n2)cs1,1,GDB ChEMBL
391503,CN(Cc1cc(CO)on1)CC1(C)CC1,1,GDB ChEMBL
240490,CC(N)=[NH+]C1(c2ccc(F)cc2F)CC1,0,GDB ChEMBL
397102,C[NH2+]C1CC2C3C(CC[NH+]2C)C13,0,GDB ChEMBL
245811,C#CC[NH+]1C2C=CC1C(CC)C(C)(C)C2,0,GDB ChEMBL
376009,CCC1CCCC(C)C(C)C(CC)C1(C)CC,0,GDB ChEMBL
182488,CCC1(C(CCO)OC)C[NH2+]C1,0,GDB ChEMBL
157694,CC([NH3+])CNS(=O)(=O)C1OC(C)C([NH3+])C1O,0,GDB ChEMBL
281641,CCC[NH2+]CC1CC[NH+](C)CC(C)(C)C[NH2+]C1,0,GDB ChEMBL
150124,CCc1sc2cccc(Cl)c2c(=O)c1Cl,1,GDB ChEMBL
366571,C[NH+]1CCC(c2cnc(O)c(C[NH3+])c2CO)C1,0,GDB ChEMBL
280855,COC(C[NH3+])C1NC2CC1OC2C[NH3+],0,GDB ChEMBL
323133,CC1(C)C(CO)CC(N)=[NH+]C1CN,0,GDB ChEMBL
111936,CC(=O)NC(CO)C(O)C(=O)NC(=O)CO,1,GDB ChEMBL
65610,CC(C=CCO)=CCC([NH3+])C(=O)[O-],1,GDB ChEMBL
204516,O=c1[n-]cc(C(O)CO)c([N+](=O)[O-])c1Cl,0,GDB ChEMBL
247181,COc1cnc2cc(C(C)C)ccn12,1,GDB ChEMBL
362630,C#CC1C(C)CC2CCC(CCOC)C1C2O,0,GDB ChEMBL
351135,COC1CC=C(C(C)C#N)C1,1,GDB ChEMBL
160963,CC1(CO)OCC2CCN2C(=O)C1=O,0,GDB ChEMBL
337058,CCC(=[NH+]CC(C)C)N1CCC1,0,GDB ChEMBL
315157,C#Cc1c(Cl)cc(C2CCC2)cc1Cl,1,GDB ChEMBL
281186,CCCC([NH2+]C)C(O)C(O)C(C=O)[NH2+]C,0,GDB ChEMBL
184470,CCC(O)C1C(C)C(C)C(C)C1C,1,GDB ChEMBL
57262,C#CC1(C=O)CC(C)(CCCC)CCN1CC,0,GDB ChEMBL
204777,CCC1C=CC2C(CC)CCCC(C)CC12,0,GDB ChEMBL
179494,CCC1(CN(CC[NH3+])CC[NH3+])C=CC(=O)O1,0,GDB ChEMBL
9763,CCS(=O)(=O)N1C(CC#N)C1C([NH3+])CO,0,GDB ChEMBL
194396,CC(O)C[NH+]=CNCCC[NH3+],0,GDB ChEMBL
222871,COC1Cc2ncc(Br)cc2C1O,1,GDB ChEMBL
274255,O=C1NCC2C1=CNCCC2C(=O)[O-],0,GDB ChEMBL
51875,CC(O)C1C(O)CC(C(=O)CC(N)=[NH2+])N1C=O,0,GDB ChEMBL
276155,Cc1n[nH]c(C(N)=O)c1C=O,1,GDB ChEMBL
126946,CN(C=O)CC1OCC(=O)[N-]S(=O)(=O)CC1O,0,GDB ChEMBL
160805,CC1OCC2C3C(O)CC1CN23,0,GDB ChEMBL
234974,CC(NCc1cnn[nH]1)c1ccc(F)cn1,1,GDB ChEMBL
312517,CC(C)n1nccc1C=O,1,GDB ChEMBL
352196,COc1cc(CO)cnc1C(C)C,1,GDB ChEMBL
375492,COC12CCCC1C(=O)NCC2,1,GDB ChEMBL
39677,COCC(C)(O)C(CC(C)(C)[NH3+])C1C[NH2+]1,0,GDB ChEMBL
127529,C[NH2+]CC([NH3+])C1CC1C(=O)[O-],0,GDB ChEMBL
208342,C#CCCC1=CC=CCCCCCC1(C)C,0,GDB ChEMBL
229424,CC(C[NH3+])(C[NH3+])OC(CO)C(=O)[O-],0,GDB ChEMBL
76476,CC([NH3+])(CO)CS(=O)(=O)NCC(N)=O,1,GDB ChEMBL
122906,C#CC(CCC)CC1(C)CCCC1C(=O)CC,0,GDB ChEMBL
2158,CC1OC(CCCO)C2C([NH3+])C12,0,GDB ChEMBL
99677,NC(C#CCOCCC[NH3+])C[NH3+],0,GDB ChEMBL
294200,C#CC(NC)=[NH+]CC(OCC)C(C)(C)COC,0,GDB ChEMBL
201730,C#CC1C2CCCC=CC(C2)C1CC,0,GDB ChEMBL
383052,CNC(CCNC1=[NH+]CC(=N)N1)C(=O)C(N)=O,0,GDB ChEMBL
200593,CC(=O)C(=O)NC(=N)Nc1ncns1,1,GDB ChEMBL
175541,CCC(=O)N1CC2CC1COC(N)=[NH+]2,0,GDB ChEMBL
125673,CCOC(C#N)C(C[NH3+])CC(O)C(C)O,0,GDB ChEMBL
330764,CN(CCNc1ccn[nH]1)CC([NH3+])CO,0,GDB ChEMBL
142387,C#CCC1C[NH+](C(C)C)CCCC1CCCC,0,GDB ChEMBL
1506,CCC=C1CC(C)(C)CC1CC#N,1,GDB ChEMBL
337134,CC(C)[NH2+]CC1CCC1[NH2+]C(C)C,0,GDB ChEMBL
64614,C#CC(C(=O)[O-])c1c(C)noc1CO,0,GDB ChEMBL
183454,COC(CC1CC1(O)C(=O)[O-])C(C)[NH3+],0,GDB ChEMBL
195374,CC1CCCC(C)(C)C2CN(C=O)CC1(C)C2,0,GDB ChEMBL
9907,CC1COCCCC1C=O,1,GDB ChEMBL
74281,CC12Cc3c(Cl)cccc3C(CC3CC31)C2,0,GDB ChEMBL
316098,CNC(=O)C12C[NH+](C)CC(C(=O)[O-])(C1)O2,0,GDB ChEMBL
15528,CC1CC2C(=O)CC34C(O)C[NH+](C)C1C3C24,0,GDB ChEMBL
240432,CCC1C([NH3+])C(O)C(C)C1[NH2+]C,0,GDB ChEMBL
179119,CC1CCC(O)CCC2(c3nccs3)CC12,0,GDB ChEMBL
162908,CC(C[NH3+])C([NH3+])C1CC[NH2+]CC1O,0,GDB ChEMBL
35986,CC1C2C(CO)OCC1(O)C1C([NH3+])CC(=O)N21,0,GDB ChEMBL
265492,Cc1nc(C2(O)CNC2CC(N)=O)no1,1,GDB ChEMBL
267887,COC1C(=O)N(C(C)=O)CC2CCOC21C[NH3+],0,GDB ChEMBL
156533,C[NH2+]CCC(C(C#N)C(C)(C)C)S(=O)(=O)[O-],0,GDB ChEMBL
50977,NC(=O)C(O)C(N)C(O)C(N)=O,1,GDB ChEMBL
249516,C#CC(CNC(=[NH2+])OCCC)(OC)C(C)(C)C,0,GDB ChEMBL
358526,NC(=[NH2+])N1C2C(O)CC(C(N)=O)C21,0,GDB ChEMBL
160857,CCOC1CC2C(O)C2C1(C(N)=O)C(C)C,0,GDB ChEMBL
133001,CC12CC(CCCOC(=O)C1O)CC2CC=O,0,GDB ChEMBL
210728,Cc1cc(CC(O)COC(=O)C#N)c[nH]1,1,GDB ChEMBL
354022,CCC1CC2CC(CC[NH3+])CC1C2C,0,GDB ChEMBL
18886,CCC#Cc1cnccc1F,1,GDB ChEMBL
372149,C[NH2+]CC(C#N)CC[NH+]1CC(C)C1(C)C,0,GDB ChEMBL
6854,CCC(C)(CO)C1C=CC(CO)CC1C,0,GDB ChEMBL
240480,CS(=O)(=O)C(C1=NCC(=O)N1)C(C#N)CO,0,GDB ChEMBL
353977,C#CCC(C#N)CCC1CCOCC1,1,GDB ChEMBL
174919,CCNC(=N)S(=O)(=O)C(=N)[N-]C(=O)OC,0,GDB ChEMBL
9827,CCCC([NH3+])C(C)(C)Nc1ncco1,0,GDB ChEMBL
362821,CCCCNC(CCCC)=[NH+]C1CC1,0,GDB ChEMBL
105986,CC1=CC[NH+]2CCC(C)C3CCC(O3)C1C2,0,GDB ChEMBL
169447,COCCC1CN2C(C=O)C12,0,GDB ChEMBL
346492,CCC1OCC2(C#N)CN2C1C(N)=O,0,GDB ChEMBL
65940,CNC(=[NH+]C)N(C(=[NH2+])NC(N)=[NH2+])C(C)C,0,GDB ChEMBL
69602,CC(C)C1CC2C(C)C1C1(C)CCCC(C)C21,0,GDB ChEMBL
146949,CC1C2NS(=O)(=O)C1CC2C(=O)[O-],0,GDB ChEMBL
249582,CC1C2OC(=O)C(C[NH3+])C(O)C2NS1(=O)=O,0,GDB ChEMBL
113545,Cc1c(O)cc2c(c1Cl)C1(CC2)CC1,1,GDB ChEMBL
16021,C#Cc1cc(Cl)c(CO)c(C)c1CC#N,1,GDB ChEMBL
190384,COCC(=O)CC(O)C(NS(C)(=O)=O)C1CO1,1,GDB ChEMBL
391442,Cc1cc2c(cc1F)C(C)C(C)([NH2+]C(C)C)C2,0,GDB ChEMBL
286110,C#CC(C)C(C(C)N)N(CC(=O)NC)C(N)=[NH2+],0,GDB ChEMBL
17308,FC(F)(F)CCc1cc(Br)cc2c1CCN2,1,GDB ChEMBL
189839,CC(=O)NC(C)C(C)=O,1,GDB ChEMBL
319184,C[NH+]=C(N)C1CC(C(=O)[O-])C(=O)N1,0,GDB ChEMBL
270037,C[NH2+]C1C(C)C1C(CO)CC[NH3+],0,GDB ChEMBL
90287,CC(=O)OC1C(O)C([NH3+])CC1N(C=[NH2+])C(N)=[NH2+],0,GDB ChEMBL
15524,Cc1nn(C)c(C#N)c1OS(N)(=O)=O,1,GDB ChEMBL
155197,C[NH+]1C2Cc3cccc(F)c3C21,0,GDB ChEMBL
128321,C#CC1N(C)CC(=O)NCC1(CC)CCC,0,GDB ChEMBL
71429,C[NH2+]CCC1NC(C)(C(=O)[O-])C1OC(C)=O,0,GDB ChEMBL
227918,CCC(C)[NH+](C)CC(O)C(C)C(O)(CO)CO,0,GDB ChEMBL
357650,C#CC(NC(N)=[NH2+])C(O)CO,0,GDB ChEMBL
45926,N#CC(N)C1(O)C2CC(O)C1OC(=O)N2,0,GDB ChEMBL
4952,C[NH2+]C1(C)CC(C#N)(C(=O)[O-])C1C[NH3+],0,GDB ChEMBL
284828,COC1CC2[NH2+]C(C)CC1C2=O,0,GDB ChEMBL
217163,CCC1C2[NH2+]CC1N(C)C2C(C)(N)C#N,0,GDB ChEMBL
259522,COCCC(C)C(O)C(C[NH3+])C(F)(F)F,0,GDB ChEMBL
99401,COCCC1[NH2+]C23CC[NH2+]CC2(C1O)C3N,0,GDB ChEMBL
156142,CC([NH3+])CC(OC(N)=O)C(O)C(O)C#N,0,GDB ChEMBL
193290,C#CC(C)(CC=C(C)C)CCCC,1,GDB ChEMBL
48211,CCCNC1=NC(C(C)(C)O)CCC1=O,0,GDB ChEMBL
334631,CCC1C(C)C[NH+](C)C1(C)C,0,GDB ChEMBL
391491,CC(O)CCNC1CC2(C)[NH2+]C1CC2C(C)C,0,GDB ChEMBL
115013,CC1CC23CNC(=O)CC2C3C[NH2+]1,0,GDB ChEMBL
240418,CCC(C)(C)C1C2CCCCC1(C)C(C)C2,0,GDB ChEMBL
238182,COC(=O)c1[n-]c(F)c(OC)c(=O)c1C(N)=[NH2+],0,GDB ChEMBL
9729,CC(=O)NC1CCC2C(CO)C12,1,GDB ChEMBL
31275,CCCCc1[nH]c(COC(C)C)cc1C,1,GDB ChEMBL
186037,C[NH2+]CC1COC(=N)N1C(C)CC#N,0,GDB ChEMBL
81104,N#CC(CCO)CC(N)c1cnco1,0,GDB ChEMBL
294484,CC(=O)NC1CCC=CCC(C)(C)C1,1,GDB ChEMBL
198800,CCCC(C)(C[NH2+]CC)Cc1scc(C)c1C,0,GDB ChEMBL
220182,CN(C)c1sc(CC[NH3+])cc1CCCC[NH3+],0,GDB ChEMBL
328925,N#CC1C(NC(N)=[NH2+])C1(O)C(=O)CO,0,GDB ChEMBL
196764,C[NH2+]C1C=CC(OC)C1C,0,GDB ChEMBL
53274,CC1CN(C)C2C(=O)OC1C1(C)OC21,0,GDB ChEMBL
228858,CCC1CCC#CCC(O)CC1,1,GDB ChEMBL
110236,CC[NH2+]CC1C(O)CC2OCC2N1C,0,GDB ChEMBL
83006,N#CC(COS(N)(=O)=O)C1([NH3+])CC1,0,GDB ChEMBL
309209,CC1COCC2C([NH3+])C(=N)NC(=O)C([NH3+])CC12,0,GDB ChEMBL
89674,CC1CC(O)C(C)C(O)C(C([NH3+])C(N)=O)O1,0,GDB ChEMBL
365728,C#CCOC(=O)C(N)C1C(O)C1O,0,GDB ChEMBL
76679,CN=C(CC#N)OC(=O)C(O)C(=O)[O-],1,GDB ChEMBL
132188,CC1CNC(=[NH2+])C(N)C1O,0,GDB ChEMBL
310142,CC1=CCC2CCC(C)CC(C)(C1)C(C)C2,0,GDB ChEMBL
111566,CCOCC1(C[NH3+])N=C(OC)NC1=O,0,GDB ChEMBL
389036,C[NH2+]C1CC(S(N)(=O)=O)C(C[NH3+])C1O,0,GDB ChEMBL
95606,CNC1(C#N)C(O)C1(N)C(=O)[O-],0,GDB ChEMBL
41118,C#CCC(C(C)[NH3+])C(C)CC1=CCCOC1,0,GDB ChEMBL
121472,CCC1[NH2+]C2CC([NH3+])CC2C1c1nc(C)no1,0,GDB ChEMBL
285565,CC1CCC(OC(N)=O)C(C[NH3+])CC(CO)[NH2+]1,0,GDB ChEMBL
132671,C=C(c1nccs1)C(C)COCC,1,GDB ChEMBL
41282,C#CC1=CCC(C(=O)CO)C1,1,GDB ChEMBL
395166,CCC(C)C(CS(N)(=O)=O)=NO,0,GDB ChEMBL
367645,CC1CC2CCCC=C2C12CCCC2,0,GDB ChEMBL
283982,C=Cc1ccnc(C2CCCC2)c1,1,GDB ChEMBL
8687,C=C(C=C(C)C)c1ccccc1Cl,1,GDB ChEMBL
229443,C#Cc1c(CC)cc(C)c(N(C)C(C)C)c1F,1,GDB ChEMBL
394375,N#Cc1nc(N)nccsc2c1NCC(=O)N2,0,GDB ChEMBL
77366,COCC1C(=O)C2C3CC(CN12)C[NH+](C)C3,0,GDB ChEMBL
336069,C[NH2+]C1COC2CC(C2)C1C(C)(O)CC[NH3+],0,GDB ChEMBL
377913,N#CC1(C(N)=[NH2+])C(O)C(O)C(O)C1NC(N)=O,0,GDB ChEMBL
382570,CN(C=O)CCC(O)COC(=O)CO,1,GDB ChEMBL
142897,N#CC1(c2nc(N)nc(O)c2F)CNC1,0,GDB ChEMBL
115151,CCc1cc(Cl)c(Cl)c(Cl)c1CCCC(C)C,1,GDB ChEMBL
220196,CCC1C2C=C(CC(C)C)CC1([NH3+])C(=O)N2,0,GDB ChEMBL
220143,CC1CC(CC#N)N2CC([NH3+])C(C)C2C(C)O1,0,GDB ChEMBL
157363,CC(C)(O)CC(CN(C(=N)N)C(N)=O)=NO,1,GDB ChEMBL
319803,C=CCC1CC(=O)C=C(C(C)C)C1,1,GDB ChEMBL
305093,Cc1ccc(C(C#N)C#N)cc1Br,1,GDB ChEMBL
313724,CCCC(CCC(C)COC)CC1CC1,0,GDB ChEMBL
334050,CCCC1C(C(C)C)CC2(C)C(CC)CCC12,0,GDB ChEMBL
181568,CC1C=C(CO)CC(C)C(C(C)O)CC1,0,GDB ChEMBL
21460,CCCCC(=O)n1cc(N)c(O)c1C1CC1,0,GDB ChEMBL
177304,CCCOC1C(C)C2C(C)C(C)CC2C1O,0,GDB ChEMBL
285617,CCCC12C3CCC1CC(C3)C2[NH3+],0,GDB ChEMBL
81429,[NH3+]CC12CC1OCCC[NH+]1CCC2C1,0,GDB ChEMBL
216481,CCC1=C(C(=O)OC)C(C)C2(C[NH2+]C2)C1,0,GDB ChEMBL
255502,CC([NH3+])C(O)C(O)CCC(=O)[O-],0,GDB ChEMBL
358841,COC12CC([NH3+])CC1N(C)C2,0,GDB ChEMBL
334122,CC1[NH2+]CC1CC(C=O)C(C)[NH+]1CCCC1,0,GDB ChEMBL
99114,CCC1CCC=CCCC2CC2C1,1,GDB ChEMBL
292951,CNC1C(=O)OC(CC([NH3+])CO)C1O,0,GDB ChEMBL
291497,COC1CC(O)C(O)CC([NH3+])C1N,0,GDB ChEMBL
88184,COC1CC(O)C(OC)C1C,1,GDB ChEMBL
103883,CC1NC(=O)CC2C(C#N)C12,1,GDB ChEMBL
18336,C#Cc1cncc2c(Cl)c3c(cc12)CCC3,1,GDB ChEMBL
11722,CNc1ncc(C(O)CNC=[NH2+])c(C[NH3+])c1C,0,GDB ChEMBL
26350,CN(C)C1=[NH+]CCC(C(N)=O)N1,1,GDB ChEMBL
115190,CCCC1CC(OCC)C2CC1CCC2C[NH3+],0,GDB ChEMBL
152639,COCc1nc(N)nc(N)n1,1,GDB ChEMBL
76956,COc1cc(C2(C)CN2C)c(Br)cn1,0,GDB ChEMBL
236759,Cn1c2cnc1OCC[NH+]=C(N)NC2,0,GDB ChEMBL
17048,OCCCC1CC([NH+]2CCC2)C1,0,GDB ChEMBL
214044,O=C1NCCCCN1CCO,1,GDB ChEMBL
185959,COC1C2C(C)(O)CC(O)C12CO,0,GDB ChEMBL
397912,CC(O)C(C)C(=N)NS(C)(=O)=O,1,GDB ChEMBL
189827,Nc1cc2c(s1)C1[NH2+]CCCOC1C2,0,GDB ChEMBL
64074,CC1CC2CC3[NH2+]C2C1CC3O,0,GDB ChEMBL
128311,[NH3+]C1CCC(C[NH+]2C3C=CC2C3)C1,0,GDB ChEMBL
299776,CC(O)CC1[NH+](C)C(C)C(O)C1(C)C=O,0,GDB ChEMBL
85665,CNC(=O)CC(O)C1OC2C(O)COC21,1,GDB ChEMBL
31357,C#CCC(C)C1CC2CCCCC1C2,0,GDB ChEMBL
304342,CCCC(=O)N1CC12CCCCC2O,0,GDB ChEMBL
310999,NC1=[NH+]CCC([NH3+])C(CS(N)(=O)=O)CN1,0,GDB ChEMBL
82120,Nc1cc(=O)c(O)c2[nH]ccc2c1,1,GDB ChEMBL
89668,CCC(C)(CC)CCCC#CCC(C)(C)O,1,GDB ChEMBL
59194,CCCC1CC#CCOC(=O)CCO1,1,GDB ChEMBL
342328,CC12CCC(CC1)[NH2+]CCC(C)(C)C(O)C2=O,0,GDB ChEMBL
82168,CCCC(C)C1CC(C)CCC1CC(C)CC,0,GDB ChEMBL
119421,CC[NH2+]C(C)C1=CC2(C)CCC1C(=O)O2,0,GDB ChEMBL
228452,CCCOC(C#N)C#CC(C)[NH3+],0,GDB ChEMBL
359105,CC1COC2CC(C3C(C)CC[NH+]3C)CC12,0,GDB ChEMBL
75068,C#CCCC(C(CC)[NH2+]C(C)C)C(C)(C)C[NH3+],0,GDB ChEMBL
286988,CC(CC(=O)C(=N)N)C[NH+](C)C,0,GDB ChEMBL
258297,CC[NH+](C)CC1OC(C#N)C=CC1(C)C,0,GDB ChEMBL
42267,CC1C2CCCCC(C2=O)C1C,1,GDB ChEMBL
191412,CCC12OCC(C1C)N(C)CC2=O,0,GDB ChEMBL
338812,O=C([O-])C1C2CC3C(N31)S(=O)(=O)C2,0,GDB ChEMBL
114751,CCC1CC2(CC)CC(OC)CC2C2CC12,0,GDB ChEMBL
300532,CCC1OC(C)C(CO)C=C1CO,0,GDB ChEMBL
248866,NC(=O)CC1(O)CC12CCOCC2,1,GDB ChEMBL
375718,CN(C(N)=O)C(=O)C(O)C(N)C1COC(=[NH2+])N1,0,GDB ChEMBL
378947,C[NH2+]Cc1sccc1C(OC)C1CN1,0,GDB ChEMBL
113509,COC1CC2(CC1O)CC2CC[NH3+],0,GDB ChEMBL
358621,CCOC(=O)C#CCCO,1,GDB ChEMBL
348880,CC1CC(C)C2CC=CC=CC1C2O,0,GDB ChEMBL
120385,CCC1=CCC(c2ccc(C)c(Cl)c2)C1C,0,GDB ChEMBL
380306,C#Cc1ccc(C2CC(C)OCC[NH2+]2)c(Br)c1,0,GDB ChEMBL
278898,CC1CC(C)c2cc(ccc2F)CCCC1=O,0,GDB ChEMBL
13838,COCC(C#N)N=C1NC(=O)CC1OC(N)=[NH2+],0,GDB ChEMBL
75411,Cc1c(C[NH3+])nn(C)c(=O)c1CNC(=[NH2+])CO,0,GDB ChEMBL
98589,NC(=O)CN1CC([NH3+])C1,1,GDB ChEMBL
41148,[NH3+]C1C(=O)NCC1C(O)C1CO1,0,GDB ChEMBL
37265,CC(O)c1nccc(N)c1F,1,GDB ChEMBL
192595,N#CCC1NC(=O)C2(N)C(O)C12O,0,GDB ChEMBL
249545,CC(CC1CCC1)C1CC2CCCC2(C)C1,0,GDB ChEMBL
195535,O=C1CC2(CCOC2)CO1,1,GDB ChEMBL
259098,CC1OC2CC3CCCC3C2C1(O)C[NH+](C)C,0,GDB ChEMBL
116366,CC(=N)NC(=O)OC1CCC[NH+]=C(N)O1,0,GDB ChEMBL
132870,CNC(=O)C1(C(C)O)OC1C#N,1,GDB ChEMBL
81058,CCC(C[NH3+])C(CC(C)[NH3+])C(O)C1CN1,0,GDB ChEMBL
277839,C[NH2+]C1CCCCC(C)(C)C2CC(C)C12,0,GDB ChEMBL
217059,CCOC1(CC(N)=O)C(C)C1[NH3+],0,GDB ChEMBL
11712,COC1C(C)(C(=O)[O-])C[NH2+]C2CC21C,0,GDB ChEMBL
227544,O=C1C(CCO)CC2COC1C2O,1,GDB ChEMBL
283244,C[NH+](C)CC1C2CC(O)C(C)(C2O)C1(C)C,0,GDB ChEMBL
98667,C#Cc1ccc(CCC)cc1C1CC1,1,GDB ChEMBL
361794,NCC(=O)N1C(=O)[N-]C2(C[NH2+]C2)COC1=O,0,GDB ChEMBL
274382,N#CC1CC2NS(=O)(=O)CC3NC(=O)N1C32,0,GDB ChEMBL
68481,CC(=O)NC(C)C(C)[NH3+],0,GDB ChEMBL
132276,CCC1CC(C)(C)C2CCC(=O)C1C(C)C2,0,GDB ChEMBL
234496,COCC12CC(CS(N)(=O)=O)C([NH3+])CC1O2,0,GDB ChEMBL
2974,[NH3+]CC1C2OC(=O)NC(=O)C12O,0,GDB ChEMBL
104676,COC1(c2cncs2)C(=O)C(=N)NCC1C,0,GDB ChEMBL
210705,CC(C)C(CC#N)c1cc2c(cc1Cl)CCC2,1,GDB ChEMBL
4989,C#CCOc1cn[nH]c1CNCC[NH3+],0,GDB ChEMBL
250549,CC12C[NH2+]C1CC2CC(=O)[O-],0,GDB ChEMBL
9801,CC1=CC2(COCCCC[NH2+]2)C2(C)CCC12,0,GDB ChEMBL
228846,CCc1c(-c2c[nH]c(C)c2)cccc1C(C)C,1,GDB ChEMBL
280426,C#CCCCCOC(=N)Oc1ncccc1N,1,GDB ChEMBL
207950,CC(C)C(C)C#CCC1CCC[NH2+]C1,0,GDB ChEMBL
144599,CC(C)OC(=O)C(C)(CN(C=O)C=O)C(N)=[NH2+],0,GDB ChEMBL
16523,CCC#CCC1CCC=C(CNCC#N)C1,0,GDB ChEMBL
184543,C#CC1C(CC)CCC([NH3+])CC1(C)OC,0,GDB ChEMBL
336578,Cc1c(N)noc(=O)c1CC(=O)[O-],0,GDB ChEMBL
75800,C#CC(COC(C)C)(C(C)C)[NH+](C)CC,0,GDB ChEMBL
294805,CCCCC1(C)C2CC(=O)NC1C(C[NH3+])C2C,0,GDB ChEMBL
375451,N=c1cc(CN)[nH+]c(N)c2cncn12,0,GDB ChEMBL
347980,CC1NC(=O)OC2C3C(C(=O)[O-])NC(=O)C123,0,GDB ChEMBL
239979,CC(C)(C)C1[NH2+]CCCC(O)C1C1CC1,0,GDB ChEMBL
94833,C1=C2CCC[NH+](C2)C2CC2CCOC1,0,GDB ChEMBL
10998,CCC1C[NH2+]C(C2CC2)C2C=CCCC1C2,0,GDB ChEMBL
300908,CNC1=NC2CC(=O)OC1C2O,0,GDB ChEMBL
288935,NC(=O)C(O)CC12CC(=O)NC1C([NH3+])CO2,0,GDB ChEMBL
6492,C[NH2+]CCC#CC(N)C(N)=[NH2+],0,GDB ChEMBL
91190,COC1C(C)C(C)C2CC([NH+](C)C)C21,0,GDB ChEMBL
281991,CC(C)C1(C)CC(c2cccn2C)C1,1,GDB ChEMBL
142941,CC(C)(C)C(=O)c1ccnc(C(O)CO)n1,1,GDB ChEMBL
107664,COC(=O)NC(=O)NCC[NH+]=CN,0,GDB ChEMBL
273800,COC1C(=O)C(CO)C2NC(=O)OC1C2O,0,GDB ChEMBL
78281,CN(c1ccnc(I)n1)C(C=O)CO,1,GDB ChEMBL
5204,CC(C)[NH+]=C(N)N(C)C(=[NH2+])CC(=O)C(=O)[O-],0,GDB ChEMBL
161790,CN1CCC=CC(CCO)(N(C)C)C1=O,0,GDB ChEMBL
119245,COC(=O)NC1C2CCC21,1,GDB ChEMBL
79244,CCC1NC1(C)c1cccc(C[NH3+])n1,0,GDB ChEMBL
346985,CCC(=O)NCC1OC(=N)CC1OC(C)=O,1,GDB ChEMBL
89094,CC(C(O)CO)C(O)C1CC[NH2+]1,0,GDB ChEMBL
397046,CCCCc1cc2cc(O)nn2cc1O,1,GDB ChEMBL
331493,CS(=O)(=O)N1CC2CC2C(C#N)C(O)C1C#N,0,GDB ChEMBL
138335,COCC1[NH2+]CC2NC(C(O)CS(N)(=O)=O)C21,0,GDB ChEMBL
29471,CC1NC1(C)C1CCc2ncnc(N)c21,0,GDB ChEMBL
292210,C#CC(C)(COCCCc1cc[nH]c1)NC=O,1,GDB ChEMBL
299193,CCC(C)(C)C[NH2+]Cc1ccn(C)c1C[NH2+]C,0,GDB ChEMBL
153339,Cc1noc(C)c1C(O)C1OCC(C)C1(C)C,0,GDB ChEMBL
39770,CCc1cc(C)sc1C(=NC)OC(N)=O,1,GDB ChEMBL
338871,N#CC1[N-]C(=O)NC(=O)OC2CC(O)C1C2=O,0,GDB ChEMBL
41069,NC12C[NH2+]CCCC13CC(=O)OC23,0,GDB ChEMBL
263869,CC[NH+]1CCC(C=O)C1C,1,GDB ChEMBL
299747,CC(C)(C)C1[NH2+]CC(C2CC2)C1(C)CC#N,0,GDB ChEMBL
260709,CC(O)C1C2CC([NH3+])C(O)C21,0,GDB ChEMBL
217087,C#CCCCC1(C)CC(C)=CC[NH+](C)C1C,0,GDB ChEMBL
35679,CNc1nn(C)c(=O)n2ccnc12,1,GDB ChEMBL
365748,CCC12C(O)C1C(C(=O)OC)S(=O)(=O)N2C,0,GDB ChEMBL
121951,CC1CC2CC(C)(CC#N)C(=[NH2+])N2C1,0,GDB ChEMBL
263218,CC1=CCCCC=C1CNC(N)=O,0,GDB ChEMBL
150157,O=C[C-]1NC(=O)OC2C[NH2+]C(C2)C1=O,0,GDB ChEMBL
275499,CCCC(C)(CC(C)C)C1CCC(CC)CC1,0,GDB ChEMBL
318548,CC1OCC2([NH3+])C(NC(=O)CO)CC12O,0,GDB ChEMBL
84491,CC1CCC=CCC(C(C)(C)C)C(O)C1,1,GDB ChEMBL
358517,NS(=O)(=O)C1OCC[NH2+]CCC(O)C1O,0,GDB ChEMBL
249427,CCC(CO)[NH2+]CC1CC([NH3+])C1O,0,GDB ChEMBL
274359,CC(C)C1[NH2+]CCCCCC(=O)C1CCCO,0,GDB ChEMBL
389065,CC1NC(=O)C2[NH2+]CC1(C)C2C,0,GDB ChEMBL
354877,CCOCC1C(C)CC2(C#N)COC12,0,GDB ChEMBL
296281,[NH3+]C1CC(CS(=O)(=O)[O-])C(O)C(O)C1O,0,GDB ChEMBL
97180,C#CC(NC(C)=O)C(=O)C[NH2+]C,0,GDB ChEMBL
44992,Nc1ncn2nc(OCCO)c(F)c(F)c12,0,GDB ChEMBL
304034,C#Cc1cc(C)cc2c1C1CC2CCC1(C)C,1,GDB ChEMBL
296265,C#CC1CNC(=O)CC(CC=O)N1C,0,GDB ChEMBL
302299,CCOC(=NCC(N)=O)C(N)C#N,0,GDB ChEMBL
102287,C#CC1CC(C(N)=O)C(O)C1C,0,GDB ChEMBL
141758,CC12C[NH2+]CCC1C(C(=O)CCO)NS2(=O)=O,0,GDB ChEMBL
385631,CCCC1(C)C(C(C)C)C(O)C2(C[NH3+])CC12,0,GDB ChEMBL
375841,C#CCC(C)(CCCC)C(C)C(C)CC,0,GDB ChEMBL
93398,CC(O)c1cccc(=O)n1C,1,GDB ChEMBL
284879,CCC#Cc1nc(F)ccc1C[NH3+],0,GDB ChEMBL
334072,CC1CC1C1=CC(=O)CCC1,1,GDB ChEMBL
271468,Cc1cnc(NC(C)C(C)CC=O)o1,1,GDB ChEMBL
130475,C=C1C2NC(=O)C(C1[NH2+]C)C2CC,0,GDB ChEMBL
29644,NC(=O)C1C2COC1C(O)C[NH2+]2,0,GDB ChEMBL
19388,CCC([NH3+])C(C1CC1)C([NH3+])C(O)C[NH3+],0,GDB ChEMBL
34812,CCC1[NH2+]C(C)C(C)C1CC,0,GDB ChEMBL
133355,CC[NH+](C)C1C(O)C1C(C)C(C)C,0,GDB ChEMBL
204361,CNC(=O)Nc1ncncc(C)c(N)ncn1,0,GDB ChEMBL
172766,CCCC1(CC2CC(O)C2)CNC(=[NH2+])NC1,0,GDB ChEMBL
225828,CCC1CCC(C)C(CC2COC2)O1,0,GDB ChEMBL
398168,NS(=O)(=O)CC1(O)COC(CO)C(=O)C1,0,GDB ChEMBL
383946,CC(C)C1=Cc2ccc(N)cc2CC1(C)[NH3+],0,GDB ChEMBL
319822,COCC(=O)OC(COC)C(=O)CC#N,1,GDB ChEMBL
237976,C#Cc1cccc(N=C(C)OC(C)C)c1C=O,0,GDB ChEMBL
334780,CC1(C[NH3+])N2CCNC(=O)C21CS(N)(=O)=O,0,GDB ChEMBL
276026,CC1(C[NH3+])C(CO)N1C(=O)C(=O)NC(N)=O,0,GDB ChEMBL
200552,N=C1CC(O)(CO)C(C(=O)[O-])O1,0,GDB ChEMBL
148400,CC1CCCC(C)(C)C(O)CCC2CC12,1,GDB ChEMBL
132551,C[NH2+]Cc1c(C(O)(C=O)CO)c(C)nn1C,0,GDB ChEMBL
310788,C=C1CCC2CC(C)CCCCC12,0,GDB ChEMBL
127174,CC1(C)CN2C(=O)C=C(CO)CC2(C)C1,0,GDB ChEMBL
121060,CC1(C(N)=[NH2+])CC(=O)C(C#N)C1,0,GDB ChEMBL
147890,C=CC(C)C(C)CCCC#CCC,1,GDB ChEMBL
300429,CC[NH+]=C(N)NC1=NCC(=O)N1,0,GDB ChEMBL
172355,CC(O)(CCOC(N)=O)C1(OCC[NH3+])CC1,0,GDB ChEMBL
109725,CN(C)C(=O)OC=NCC#N,1,GDB ChEMBL
354795,CC(=O)Oc1cc(N)cc2c1cnn2C,1,GDB ChEMBL
115603,CC1C2CC(C)(Cc3ccc(F)c(O)c32)C1C,0,GDB ChEMBL
114989,CN(C)C(=O)C1C2CC1(C)NC(=O)C2[NH3+],0,GDB ChEMBL
64604,Cc1cc(N)c(I)c2sc(C(=O)NC=O)cc12,1,GDB ChEMBL
346563,CC(C)C(O)C1CCC2(CC1)CCC(C)(C)C2,1,GDB ChEMBL
396091,CC1C2C(N)C(=O)OC12CO,0,GDB ChEMBL
147258,CC1=CC2C(C1)CC(C(C)C)CC2(C)C,0,GDB ChEMBL
76043,Ic1cccc2c1C1[NH2+]CC3CN2C31,0,GDB ChEMBL
309688,CCC1C(C)CC23CCOC(=O)C2C13,0,GDB ChEMBL
274899,COC1(CO)C([NH3+])CC2(CCC[NH2+]CC2)C1O,0,GDB ChEMBL
280298,CCC(O)CC(C)Cc1cnnn1CCCO,1,GDB ChEMBL
129559,CCCC1C2CC(C)C(C2)C1OCC(C)[NH2+]C,0,GDB ChEMBL
107697,C=CC1CC2CC=C(C)CCC1C2,0,GDB ChEMBL
296261,CCC(CN)(C[NH3+])[NH+]=C(N)NC1CC1,0,GDB ChEMBL
391484,CCC(OC)C(=O)NC12CC(O)(CC1[NH3+])C2,0,GDB ChEMBL
100692,COc1c(COC=N)cc(C)c(O)c1F,1,GDB ChEMBL
113536,CC1(C)C(C2CC2)CC1[NH+]1CCCC1,0,GDB ChEMBL
394291,CCCCC1C(CC(C)(C)C)C1C(C)CC,1,GDB ChEMBL
280264,CN(C(=N)N)C(=O)CCC(=[NH2+])NC=N,0,GDB ChEMBL
120506,CCN1CC(C)(CC(=O)[O-])[NH+]=C1C1C[NH2+]C1,0,GDB ChEMBL
18921,CC1CNC(=O)CC(O)C1(C)C,1,GDB ChEMBL
310325,Cc1cc(F)c2c(n1)NC1CC(C)OCC21,0,GDB ChEMBL
23565,CC[NH2+]CCc1cccn2ccsc2ncn1,0,GDB ChEMBL
118373,C[NH2+]C(C)C1C=CCC(C)[NH2+]CCC1(C)C,0,GDB ChEMBL
369325,CCCCNc1nnn(CCO)n1,1,GDB ChEMBL
217082,[NH3+]CC1=C(C[NH3+])C(=O)NCC[NH2+]C(CO)C1,0,GDB ChEMBL
358089,CS(=O)(=O)[N-]c1ncccn1,0,GDB ChEMBL
280826,CC(CO)[NH2+]C(C)(C)CN=COC(C)C,0,GDB ChEMBL
252091,C#CC1=CN(CC(C)(C)C)C(=O)CC1OC,0,GDB ChEMBL
41094,COCC(NCC#N)C(C=O)C1CC1,0,GDB ChEMBL
235935,CC1COC2CC1[NH2+]CC2N,0,GDB ChEMBL
288479,NC1=[NH+]CC(C2(C=O)CCC[NH2+]C2)N1,0,GDB ChEMBL
2336,Cc1ncc(N2CCCOC(=O)C2)s1,1,GDB ChEMBL
209821,CC1CC=C2c3cccc(F)c3C3C1C23[NH3+],0,GDB ChEMBL
204553,CC(=O)OC1CC(C[NH3+])(C[NH3+])C1C,0,GDB ChEMBL
170128,C[NH2+]CC(OC(C)C[NH3+])C1OC1C(N)=O,0,GDB ChEMBL
337937,Cc1cc(N)c(N)cc1Br,1,GDB ChEMBL
209715,NC12C[NH2+]C(CC(=O)[O-])C13CN3S(=O)(=O)C2,0,GDB ChEMBL
334748,CC(CC(=O)[O-])NC(=N)c1ncon1,1,GDB ChEMBL
118886,CC1[NH2+]CC2C3NC(=O)C(N)C123,0,GDB ChEMBL
389381,CCCc1cc(C(C)[NH+]2CCCC2)cn1C,0,GDB ChEMBL
345801,CC(=O)CC(C)(CC=O)OCC(N)=O,1,GDB ChEMBL
99602,NS(=O)(=O)c1cc(Cl)cc2[nH]c(=O)sc12,1,GDB ChEMBL
90282,C#CC(CO)C(C)[NH2+]C,0,GDB ChEMBL
142547,CC[NH2+]C1C=CCC2C1C2(C)C,0,GDB ChEMBL
9765,CC1CN=C(C2CC3CC2(O)C(=O)N3)O1,0,GDB ChEMBL
182302,CC[NH2+]C(C1CC(=O)CCN1)C(C)(CC)OC,0,GDB ChEMBL
94837,C[NH2+]CC1(C)CCC(CC#CC[NH3+])CC1,0,GDB ChEMBL
194492,CCC[NH+]1C2C=C(C)CCC(C)C21,0,GDB ChEMBL
97173,C#CC1OC1C(C)CC(C)C,0,GDB ChEMBL
129577,CC1C=CC2C[NH2+]CCC1O2,0,GDB ChEMBL
269358,Fc1ccc2c(c1)C1CC2C=C2C=CCC21,0,GDB ChEMBL
313340,CCCC1OC(C)C(OCC(C)[NH3+])C1C,0,GDB ChEMBL
85054,CN(C)C1(CO)C([NH3+])C(O)C(O)C1C[NH3+],0,GDB ChEMBL
40925,CC[NH2+]C12C=CCC(CC)CC1(CO)C2,0,GDB ChEMBL
107028,C[NH2+]Cc1c(F)cc(C)cc1OC(C)COC,0,GDB ChEMBL
144647,CCCCC1C2C=CC[NH+]21,0,GDB ChEMBL
2152,CC(C=CC(CO)C1CO1)CC[NH3+],0,GDB ChEMBL
325221,Cn1cc(C2OCC3CN3C2C(=O)[O-])cn1,0,GDB ChEMBL
27928,CCC1(O)C(N)=NC2C(=O)[N-]S(=O)(=O)C21,0,GDB ChEMBL
104667,CC1OC(=O)C2C(O)C3CC3N2C(=O)C1O,0,GDB ChEMBL
278220,CC1=CC=CCCC(O)(CO)CC1,0,GDB ChEMBL
351428,CCC(C)C1C(C)C2CC=CCCCCC21,0,GDB ChEMBL
26553,C#CC(COC(=O)NC)[NH+]=C(N)CN,0,GDB ChEMBL
112525,CCC(=O)c1conc1C=O,1,GDB ChEMBL
235956,CC(C)C[NH2+]C1CC2CCC3(C)C(C1)C23,0,GDB ChEMBL
6479,C#Cc1cc(C#N)c2cc(F)c(C)cc2c1C,1,GDB ChEMBL
85809,CCCCC1CC2CC(C)CC(C)(C)C2C1,0,GDB ChEMBL
99673,CS(=O)(=O)NC1C([NH3+])C1C(O)C(=O)[O-],0,GDB ChEMBL
127906,C#CCCc1c(C)c(C)cc(I)c1CC(C)C,1,GDB ChEMBL
115040,COCC1(C([NH3+])CCC#N)CNC1=O,0,GDB ChEMBL
20752,CCC1C2CC([NH3+])CC(CO)N12,0,GDB ChEMBL
85864,CCCC(CC)C1C=CCCC1,1,GDB ChEMBL
61513,Cc1cnc(NC(=O)NC(N)=O)nc1,1,GDB ChEMBL
191396,CCC1(CC(O)C(N)=O)[NH2+]C(C=O)CC1O,0,GDB ChEMBL
190287,C[NH+](C)C12CC(C1)[NH2+]C(CCO)CC2(C)C,0,GDB ChEMBL
160341,C#CCCC1(C)CC(C)=C(C(=O)[O-])C(C)O1,0,GDB ChEMBL
358492,CC[NH+](C)CC1=C(C#N)C(=O)C=C1,0,GDB ChEMBL
288567,CCCNS(=O)(=O)C1CC1,1,GDB ChEMBL
15543,CC#CC12CC(CC)(CCC1OC(C)=O)C2,0,GDB ChEMBL
274420,[NH3+]CCN1CC2C(O)CC([NH3+])C1C2(O)CO,0,GDB ChEMBL
302653,CCCCC12CCC(C)C(CC)C1C2,0,GDB ChEMBL
273435,C#CCc1cccc(CC#C)c1C#C,1,GDB ChEMBL
62091,CCC1C(C)OCC1(C)C[NH3+],0,GDB ChEMBL
98627,CC(C)NC1=[NH+]CCC(C)(C(N)=O)C1N,0,GDB ChEMBL
104426,CC1CC23NCC2OC(=N)C3C(=O)N1C,0,GDB ChEMBL
280759,NC(=O)C1NS(=O)(=O)C(CO)CC1O,0,GDB ChEMBL
205933,CC(O)Cc1cncc(CO)nc1=O,0,GDB ChEMBL
310977,CNC(=O)C1C(C=O)N1CCO,1,GDB ChEMBL
375507,CCNCC(=O)OC(C[NH3+])C(C)C,0,GDB ChEMBL
160394,COC1CC([NH3+])C(C2N=C(N)N(C)C2=O)CO1,0,GDB ChEMBL
285126,CCCCC1C2CC(C[NH2+]2)C1CC(C)CCC,0,GDB ChEMBL
363207,CC1=CC2OCC[NH+](C)C23C(CC(C)C)C13,0,GDB ChEMBL
208362,CCCCC1[NH+]2CCC(C(C)C1(C)C)C2(C)C,0,GDB ChEMBL
354356,CC(O)C1COCCCNC1=O,1,GDB ChEMBL
129605,CCC(C)c1c(F)cccc1C1CC1CC,1,GDB ChEMBL
124799,N=C(NC(=O)CO)C1C(O)C1O,0,GDB ChEMBL
278244,CC12CC1C(O)C[NH+](C(C)(C)C)C2,0,GDB ChEMBL
118487,CC(C)CCC(C)N=CNc1cc(O)ccn1,0,GDB ChEMBL
376670,CCC(CC)[NH2+]C1CC=CC1,0,GDB ChEMBL
235588,CCC1CCC2C(CN2C)[NH2+]C1,0,GDB ChEMBL
143509,CCCCC(N)=[NH2+],0,GDB ChEMBL
257500,CCC#Cc1c(F)c(NC)cc2oncc12,1,GDB ChEMBL
238016,COC1CNC(=[NH2+])NC1C(N)=O,0,GDB ChEMBL
88126,COC1CC(=O)[N-]S(=O)(=O)C1CC(C)C=O,0,GDB ChEMBL
189829,NC(=[NH2+])Nc1cc(CO)sc1[N+](=O)[O-],0,GDB ChEMBL
28216,CC(C(=O)[O-])C(C)(OC(N)=[NH2+])C1CN1,0,GDB ChEMBL
116003,C#CC(CCC)C1CC2CCCC(CC2)[NH2+]1,0,GDB ChEMBL
230256,CCC1C(OC)CC(=O)C12CC(=NO)C2,1,GDB ChEMBL
21509,NC(=[NH2+])OCCC(C[NH3+])NC(=O)NCC[NH3+],0,GDB ChEMBL
111546,CC(C)CC(C(C)C)C(C)C1CCC(C)(C)C1,0,GDB ChEMBL
132474,CC[NH+](C)C1C(N)=NC(C)(C[NH3+])C(CO)C1O,0,GDB ChEMBL
214865,CC1C[NH2+]CCC2CCC([NH3+])C2C1,0,GDB ChEMBL
47727,C#CCC(C#C)OCCOCC,1,GDB ChEMBL
23996,COCc1cc(C)c(C)c(-n2ccnn2)c1Cl,1,GDB ChEMBL
174035,CC([NH3+])C1C2CN(CC2C2CCCC2)C1C#N,0,GDB ChEMBL
151818,CCCS(=O)(=O)[N-]C(C)=O,0,GDB ChEMBL
354745,CC1CC([NH3+])C2(C1)C1CCC(C1)[NH2+]CCN2C,0,GDB ChEMBL
220185,CC(=O)COc1c(O)n[nH]c1N1CCC(O)C1,0,GDB ChEMBL
225007,N#CC1[N-]C(=O)C(CO)(C(N)=O)CC1=O,0,GDB ChEMBL
372770,CC=C1CCCC(CC(C)C)C1C,1,GDB ChEMBL
222804,CC[NH2+]C(C(C)(C)CC)C(C)(CC)CCC=O,0,GDB ChEMBL
48768,CN1C(CO)C1(C(N)=O)C(O)CS(N)(=O)=O,0,GDB ChEMBL
334046,CC[NH+](C)CC(C)C1(CC)CC1C,0,GDB ChEMBL
161366,CCC1([NH3+])C(C(=O)[O-])C12CNC(C)CC2[NH3+],0,GDB ChEMBL
53717,Cc1nc(O)nc(N)ccnc2scnc12,0,GDB ChEMBL
243395,NS(=O)(=O)OC1C(O)CNC(=O)C(O)C1O,1,GDB ChEMBL
358612,C[NH2+]C1(C)CC(CCC[NH3+])CC1[NH3+],0,GDB ChEMBL
20150,CCOC1CC(N=C(NC=O)OC)C1,1,GDB ChEMBL
161822,CC1CC2=C(C1)C[NH+](C)CCC2,0,GDB ChEMBL
239120,CCNS(=O)(=O)c1c[nH]cc1NC(N)=O,1,GDB ChEMBL
107633,CC(CCCOC(C)C)Nc1ccns1,1,GDB ChEMBL
104652,CCCC(CC)C1C(O)C(C)C(C)(C)C1(C)C,0,GDB ChEMBL
369326,COC1(CNC(C)=[NH2+])CC1,0,GDB ChEMBL
84273,CC#CCC(C)C(CCC)C(C)C(N)=[NH2+],0,GDB ChEMBL
239980,CCC(CC)C[NH+]1CC2(C)CC(C)(C1)C2C,0,GDB ChEMBL
148357,COC1C(C)[NH+]2C1CC(C)(O)C2C(=O)[O-],0,GDB ChEMBL
118147,COC(=O)NC1C(C#N)CNS1(=O)=O,0,GDB ChEMBL
210393,Cc1cc(O)nc(N)c1Cc1csnn1,0,GDB ChEMBL
175587,CC(O)C(O)CC1C[NH+](C)CC1(CO)CC=O,0,GDB ChEMBL
310131,CC(OC=O)C([NH3+])CC[NH3+],0,GDB ChEMBL
38539,O=C([O-])CCC1(S(=O)(=O)[O-])CC1,0,GDB ChEMBL
247215,COCC12CN(CCN1)c1ncccc1C2=O,0,GDB ChEMBL
262253,Cc1ccc(F)c2nnsc12,1,GDB ChEMBL
274083,Cc1c(F)ccc(C(C)CCC(C)(C)C)c1F,1,GDB ChEMBL
323357,CCC1(N)C(C)N=C(N)NC(=O)C1O,0,GDB ChEMBL
248260,CCC1([NH3+])CC2C(c3ccc(C)o3)N2C1,0,GDB ChEMBL
148739,C[NH2+]CCc1ncc(C(C)(C)CO)c(Cl)c1C,0,GDB ChEMBL
389047,CC=CC=CCCC=CC(C)(C)C,1,GDB ChEMBL
135452,C[NH2+]C1C2CC([NH3+])C1C(C)(C1CC1)C2,0,GDB ChEMBL
69574,CCS(=O)(=O)C(=N)N1C(=O)[N-]C(C)C1=O,0,GDB ChEMBL
91203,COCC1CC(=NO)C(C)C1OC,0,GDB ChEMBL
7761,CC(CCO)C1(O)CN(C)CC1[NH3+],0,GDB ChEMBL
234939,Cc1cc(CC2CC[NH2+]2)c(NC=[NH2+])cc1C,0,GDB ChEMBL
196719,CC1CCC([NH+]=C(N)C2CCN2)CC1,0,GDB ChEMBL
274037,Ic1ccc2c(c1)C[NH2+]C2CCC1CC1,0,GDB ChEMBL
244310,CCCc1cc(Cl)cc(C(C)(C)C([NH3+])CC)c1,0,GDB ChEMBL
31300,CN1C(=N)CC2CC(C)(O)C([NH2+]2)C1=O,0,GDB ChEMBL
182942,CCc1cc2c(c3cccc(Br)c13)CCC2,1,GDB ChEMBL
73864,CCC1=CCC(C(N)=O)C1C#N,1,GDB ChEMBL
28176,O=C1CCCc2ccc([N+](=O)[O-])nc2N1,1,GDB ChEMBL
305548,C#CC(C)(C#CC1CC1)OC,1,GDB ChEMBL
338149,CC(C(N)=[NH2+])C1(CO)CN1CC(=O)[O-],0,GDB ChEMBL
112492,Nc1sncc1S(=O)(=O)CCCO,1,GDB ChEMBL
142377,COC1CC2NC(CO)C(=O)C1NC(=O)C2O,0,GDB ChEMBL
48699,CC1OCCCCCC2CC2C1=O,1,GDB ChEMBL
34766,[NH3+]CC1(C[NH3+])C(=O)OCC1O,0,GDB ChEMBL
320286,CC(CC1CC1[NH3+])C(C)C(N)=O,0,GDB ChEMBL
26834,O=Cc1nc(Cl)cc2c1N1CCCOC2C1,1,GDB ChEMBL
87482,N=C1OCCOC(=N)N1C(CO)CNC(N)=O,0,GDB ChEMBL
222859,C#CC12CC(=O)OCC1(CCC)C[NH+](C)C2,0,GDB ChEMBL
38706,CC(=O)NC12CC1C(O)C2[NH3+],0,GDB ChEMBL
249597,[NH3+]C1CCC2CCC1OC2CO,0,GDB ChEMBL
302629,C#CCCCC1CC1OCC1CC1,1,GDB ChEMBL
47711,NC1(C[NH3+])C(CO)C2C(=O)NC1C2O,0,GDB ChEMBL
304642,CCC1CC(C)C(CC(C)C(C)C)C[NH2+]C1C,0,GDB ChEMBL
127145,C#CCCC(C)(C)Cc1cc(F)cc(F)c1F,1,GDB ChEMBL
5847,CC[NH+]1CC2CC3C(C)OC(C)C3C(O)C1C2,0,GDB ChEMBL
389478,CC1CCCC2C(C1)C(C)C[NH+]2C,0,GDB ChEMBL
252561,CC(O)C(CO)[NH+]1C2CCC1C2,0,GDB ChEMBL
97227,O=C1CC(O)C2C[NH2+]CC2N1,0,GDB ChEMBL
67824,C#CCC1C(=O)CCC1C,1,GDB ChEMBL
362681,CC(=O)NC1C2OCC(O)C12[NH3+],0,GDB ChEMBL
294434,CNC(C(N)=NC(C=N[O-])C(N)=O)C(C)O,0,GDB ChEMBL
354790,Cn1cnc(N=C2CNC(=O)CO2)c1,0,GDB ChEMBL
305310,CC1C(C[NH3+])NC(CC#N)C2CC12,0,GDB ChEMBL
117456,COC(=O)NC(CCO)C(N)=O,1,GDB ChEMBL
134465,NC(=O)CN=CNc1ncns1,0,GDB ChEMBL
48509,CCC12CC([NH3+])CCC1C=CC2C(C)C,0,GDB ChEMBL
169505,N#CC1NC2CC(OC2=O)C1N,0,GDB ChEMBL
312528,C#CC(O)CC([NH3+])CNc1cscc1C,1,GDB ChEMBL
99603,CCC1(C)CC2CC1c1cc(O)cnc12,0,GDB ChEMBL
260189,N#CCC1C(C(N)=[NH2+])C(O)C(O)C1(O)C(=O)[O-],0,GDB ChEMBL
294206,CNC(=O)c1nc(=N)sc(CC[NH3+])c1C(N)=[NH2+],0,GDB ChEMBL
34356,C#CCC1C=C(C)CC(=O)NC1CC,0,GDB ChEMBL
40323,C#CC(O)(CC(CCC)C1CC1)C(C)[NH3+],0,GDB ChEMBL
21479,C#CCCC(=O)NC(C)(CC)CC[NH2+]CC,0,GDB ChEMBL
269172,CC1COC(C)(CC(=N)N2CCCC2=O)C[NH2+]1,0,GDB ChEMBL
323314,CCN1CC(C)C=CCC1=O,1,GDB ChEMBL
277862,C1=CC2CC3(CCC2CCC1)CC3,1,GDB ChEMBL
118390,CC(C)N=C(N)C1(CO)NCCOC1=O,0,GDB ChEMBL
333909,COc1cccc(C)cc2c(=N)[nH][nH+]cn2c1,0,GDB ChEMBL
222813,N#CCCc1cnoc(=O)c1,0,GDB ChEMBL
118874,CCC(C=CCCC(C)C)C1CC1,1,GDB ChEMBL
89135,CCC#CC1([NH3+])CC(C)C=C1NC(=O)OC,0,GDB ChEMBL
35497,CC1CC(C)[NH+]2CCOC(C)C1CC2,0,GDB ChEMBL
347849,CC1OC2C[NH2+]CC=CC1CC2O,0,GDB ChEMBL
171902,[NH3+]C1CNC2COC2C(O)C1,0,GDB ChEMBL
308320,CCC1(C)CC(CO)(C(=O)[O-])N(C)C(=O)C1O,0,GDB ChEMBL
227804,[NH3+]CCc1cnc(=O)[nH]c1,0,GDB ChEMBL
98512,[NH2+]=c1[nH]c(CC(=O)NCC(=O)[O-])ccc1I,1,GDB ChEMBL
374038,COC1C2CC(C)C[NH2+]C(C2)C1C,0,GDB ChEMBL
375463,CC(C#N)=CCN1C(=O)CC2CC21,1,GDB ChEMBL
340420,CC1Cn2nccc2C1=O,1,GDB ChEMBL
165239,CC#CCc1c(F)ccc(CC2C[NH2+]2)c1C,0,GDB ChEMBL
268154,CCNC1=[NH+]C(C)C(C)(CC(=O)[O-])NC1,0,GDB ChEMBL
366063,C#CCC(C)(CCC)c1cc(C)c(C)c(C)c1,0,GDB ChEMBL
151177,CC(C)CCC1CCC[NH2+]C1C,0,GDB ChEMBL
357677,COC(=O)N(C(C)=N)C1(C)C2OCOC21,0,GDB ChEMBL
281647,NC1C[NH2+]CC2(C=CC(O)C2C(=O)[O-])C1O,0,GDB ChEMBL
246382,C[NH2+]C1(CC2CCCC2)CC=C(C)C1,0,GDB ChEMBL
176509,C#CCC1C2CCC(C[NH2+]2)C1(C)C,0,GDB ChEMBL
6118,C[NH2+]C(C)C(C)(CO)COc1ccnc(Br)c1,0,GDB ChEMBL
175548,CC#CCC(C)C(C)C1CCC[NH2+]C1,0,GDB ChEMBL
174261,O=C1NCC(CO)CC(Cc2cocc2[O-])N1,0,GDB ChEMBL
251854,CCC(C)=Cn1ccc(C)cc1=O,0,GDB ChEMBL
157749,C=CCc1cc(C)cc2c1CC=C2,1,GDB ChEMBL
390067,C#CC(C)(C(C)CC)C(C)CC(C)[NH2+]C,0,GDB ChEMBL
80515,CC1(C(=O)COCCNC(N)=O)CO1,1,GDB ChEMBL
105980,CC1=CC[NH2+]C(COC2(CO)CC2)C1,0,GDB ChEMBL
108693,CS(=O)(=O)[N-]C(=O)NCCC(N)=O,0,GDB ChEMBL
117437,FC(F)(F)CN1CC2CCCCC1CCCC2,0,GDB ChEMBL
209730,C#Cc1cc(CC2CC2)c(Cl)cc1CC,1,GDB ChEMBL
81524,[NH3+]C1C(=O)NC2CCN3CC3C21,0,GDB ChEMBL
81091,CN=C(N)C(=O)OC(C)C[NH2+]C,0,GDB ChEMBL
239154,C#CC1CC2COC(CO)C1C2CC,0,GDB ChEMBL
378874,CC(N)=[NH+]C(C)c1c(Cl)cc(CCO)cc1Cl,0,GDB ChEMBL
271517,C[NH2+]CC1CC2C(C#N)N2C1,0,GDB ChEMBL
361146,CCC1CC(C[NH3+])CC2CC12,0,GDB ChEMBL
132271,C#CC1(CC)CCC2CCC(CC1)[NH2+]2,0,GDB ChEMBL
235216,CC(=O)NC1(C)CN(C)CC(=O)C2OC21,0,GDB ChEMBL
300178,COC(N)=NC(C)(C=O)CO,0,GDB ChEMBL
196468,CCC(C)CC1(C)C(CC(C)C)C1OC,0,GDB ChEMBL
60639,CCCCCC(=N)OCCNC(C[NH3+])C(C)[NH3+],0,GDB ChEMBL
41161,CC1(C(=O)CO)CCCC2CC2C1O,0,GDB ChEMBL
252320,Cc1cc2cc([O-])c(Br)cc2cc1C#N,0,GDB ChEMBL
162493,CCCOCC1CCC([NH2+]C)C1C(C)(C)OC,0,GDB ChEMBL
254210,C#CC(CC#N)C1(C)CNC(C#N)COC1C,0,GDB ChEMBL
274654,Cc1nc(Cl)c2c(c1OCC(C)C)OCC2O,1,GDB ChEMBL
144523,CNC(CCOC)C(N)=[NH+]C(C)C(C)O,0,GDB ChEMBL
184289,N#Cc1nnn2c1CCNC(=O)CC2,1,GDB ChEMBL
334149,COCC(C)(C(O)CO)N(CC[NH3+])C(N)=[NH2+],0,GDB ChEMBL
61888,CC1CCOC(C)(CC2([NH+](C)C)CC2)C1,0,GDB ChEMBL
76370,C#CC1CCCCC(C)(CCCC)C1(C)CC,0,GDB ChEMBL
331205,CCC(n1ccnn1)C([NH3+])(CO)CCO,0,GDB ChEMBL
50349,CC1NC(=O)C2(O)C(N)C2NC1=O,0,GDB ChEMBL
90344,COC1CC2NS(=O)(=O)C1C(C(N)=O)C2[NH3+],0,GDB ChEMBL
23508,Fc1cncc(C2CCCO2)c1,1,GDB ChEMBL
150509,CCC1C(C)C(O)C([NH3+])CC1(C)O,0,GDB ChEMBL
101006,CC(CC[NH3+])OC(=N)NC(=N)C#N,0,GDB ChEMBL
334706,CCOc1nc(F)cc(CC)c1-n1cccc1,1,GDB ChEMBL
136024,OC1CC(O)C2CC12,1,GDB ChEMBL
146938,CCCCC=CC1(C)CC1C1CC1,1,GDB ChEMBL
62539,C#Cc1cccccc(C)cc2c1NC(C)C2,0,GDB ChEMBL
29464,NCC(CO)N=C(NC=O)NC(N)=[NH2+],0,GDB ChEMBL
204426,CCC(NCC(=O)S(N)(=O)=O)C(=O)[O-],0,GDB ChEMBL
255353,COC(=O)NCC(CCC(N)=O)[NH+]=C(N)N,0,GDB ChEMBL
31302,NC(=O)C(CO)C1C[NH+]=C(N)O1,0,GDB ChEMBL
95612,C=CCC1CCCCCC2(C)CC12,1,GDB ChEMBL
304369,CNc1nc(CO)nn1CC(C#N)C(N)C[NH3+],0,GDB ChEMBL
150530,O=C1C[NH2+]CCCC=CC2C=CN1C2,0,GDB ChEMBL
153343,CS(=O)(=O)NCCc1coc(=O)cc1[O-],0,GDB ChEMBL
12812,CC1(CO)CNC(C#N)C1,0,GDB ChEMBL
221693,CC1C=CC2CC3CC1C2C3O,0,GDB ChEMBL
58953,NC1=NCC(NC(=[NH2+])CC[NH3+])C(=O)N1,0,GDB ChEMBL
227267,C#CC(CC(C)C)C(C)CCO,1,GDB ChEMBL
376654,C#CC(CCC)c1cc(Br)nc(CCC)c1C,0,GDB ChEMBL
214741,N#C[C-](C(=O)NC(N)=O)C(=O)C(O)C#N,0,GDB ChEMBL
2993,CC1C=CC(C(C)(C)C)CC(C)C1,0,GDB ChEMBL
160040,CC12CC(=O)C(COC(N)=O)C1CC[NH2+]2,0,GDB ChEMBL
118463,CS(=O)(=O)[N-]C12COCC1[NH2+]CC(O)C2O,0,GDB ChEMBL
27789,CC1=CC2C(C)NC(=O)CC23OC3CC1,0,GDB ChEMBL
99467,NS(=O)(=O)OC1CNC1C([NH3+])CCO,0,GDB ChEMBL
281959,CNc1cc(C(=O)[O-])c(N)nc(O)sc(O)n1,0,GDB ChEMBL
148181,C[NH+]=C(CC1C[NH+](C)C1)NC(CN)CO,0,GDB ChEMBL
391767,C#CCC1CCc2c(C)cc(CC)c(C)c2C1,1,GDB ChEMBL
87669,CC(O)C(O)C1CC(C(O)CO)[NH2+]1,0,GDB ChEMBL
395175,NCC1[NH2+]C2Cn3c(C(N)=O)ccc3C1C2O,0,GDB ChEMBL
336038,CCC12[NH+]=C(N)NCC1C2C([NH3+])C(N)=O,0,GDB ChEMBL
99683,CC(C)NC1(C2NCCCC2[NH3+])COC1,0,GDB ChEMBL
363522,CC(O)C1CC(O)C(C=O)C(C(=O)[O-])C1,0,GDB ChEMBL
262583,CCCC(CC[NH2+]C)C(O)C#N,0,GDB ChEMBL
230238,C#CC12C(CC[NH3+])C1CN(C)C2C#N,0,GDB ChEMBL
378287,CC1C([NH3+])C(O)C(O)C1(C[NH3+])CO,0,GDB ChEMBL
225033,CCc1c(OC)ncnc(O)nc(N)n1CC,0,GDB ChEMBL
289984,CCNC(=O)CCC(=N[O-])C(=O)CC[NH2+]C,0,GDB ChEMBL
207370,CCC1CC(C(C)C)CCC1C,1,GDB ChEMBL
240040,CC1CCCCC2[NH2+]CC1C(C)NC2C[NH3+],0,GDB ChEMBL
143142,OC1CC(O)CC2(CO2)C1,1,GDB ChEMBL
127685,C[NH+](C)CC#CC(O)C(C#N)C(C)(C)C,0,GDB ChEMBL
109221,CCC(O)C(C)(CC)C1(CO)COC(=O)N1C,0,GDB ChEMBL
6824,CCCC(CCC)C1(CC)CCC(C)C(C)[NH2+]1,0,GDB ChEMBL
228297,CCOC(CNC(N)=O)(CC(C)=O)C(C)(C)C,0,GDB ChEMBL
345836,C[NH+](CC1CC1)C1(C2C[NH2+]C2)CCC1,0,GDB ChEMBL
54774,CCC1CCC2[NH2+]C1C1C(=O)OC21,0,GDB ChEMBL
109583,C#Cc1ccc2c1nc(C)c1cncncc12,0,GDB ChEMBL
23660,C=CCC12CCCCOCC1OC2,1,GDB ChEMBL
101489,CCCC=CC(C=O)CC=C(C)C,1,GDB ChEMBL
80488,CCN(C)c1ccc(C)c2c1NC(C)(C)C2C,0,GDB ChEMBL
277101,[NH2+]=C1NC2CNC(CO)C(O1)C([NH3+])C2,0,GDB ChEMBL
29009,Cc1nn(C)c(=N)c(Br)c1C[NH2+]CC(C)(C)O,0,GDB ChEMBL
29910,CCC(C)[NH2+]CC(C)OC,1,GDB ChEMBL
177868,CC[NH+](C1CC1)C1(C)CNC(=O)CC1C,0,GDB ChEMBL
284806,CNC(=O)C1OCC(=N)NC(=O)C([NH3+])C1(C)N,0,GDB ChEMBL
298217,Cc1ccc2cnn(C)c(=O)c2c(=O)c1,0,GDB ChEMBL
103881,C=CCCc1ncc(Cl)cc1C=C,1,GDB ChEMBL
354742,CCOC(=O)C(C#N)C1=C(C)CCC1CO,0,GDB ChEMBL
300471,N=C1NC2(C(N)=O)C(CC[NH3+])C2O1,0,GDB ChEMBL
29588,CC(Cn1cccc1)[NH2+]CCNC=O,1,GDB ChEMBL
323958,CCCOC=NCCOCC[NH3+],0,GDB ChEMBL
227276,O=C1CCC(C(=O)C2COC2)N1,0,GDB ChEMBL
156189,NC(=O)NC1(CC(=O)[O-])CN2CC2C1O,0,GDB ChEMBL
63146,O=C1NCC(O)C2CS(=O)(=O)NC12,0,GDB ChEMBL
93118,COC(=O)C1NC2C(C1O)C2(C)O,0,GDB ChEMBL
298069,CC([NH3+])C1C2C(=O)NC13CN2C3,0,GDB ChEMBL
243758,N=COC(=O)CCC([NH3+])CO,1,GDB ChEMBL
362228,CNC(CO)=[NH+]C(C(C)O)C(C)C[NH3+],0,GDB ChEMBL
313363,CC1CC([NH3+])COC(=O)NC2C(O)C12O,0,GDB ChEMBL
190086,CCOC(C[NH2+]C)C(=O)C1(C(N)=[NH2+])CC1,0,GDB ChEMBL
1966,CC1CNC(C#N)C(CC2CC2)CC1CO,0,GDB ChEMBL
334332,CC12CC(O)C(OCC1C#N)C2[NH3+],0,GDB ChEMBL
13788,CC(C)CC1C#CCCC=CCCCC=C1,0,GDB ChEMBL
33316,C#CCc1cccc(CCO)c1CC(O)CC,1,GDB ChEMBL
239160,CC1(O)CC(O)C(O)C12COCC(=O)O2,1,GDB ChEMBL
279946,CN=C1CC(C#N)(CC[NH3+])C(COC)O1,0,GDB ChEMBL
151793,C[NH2+]C(C(C)O)C(C)Oc1[nH]ncc1CC[NH3+],0,GDB ChEMBL
318354,C[NH2+]C1CC2(OC)C(=O)NC(C)C2(O)C1,0,GDB ChEMBL
302473,C#CCc1cc(Cl)c(Cl)cc1Cl,1,GDB ChEMBL
165651,CCC(C)([NH3+])CC1(C)CC(CO)CC(C)[NH2+]1,0,GDB ChEMBL
114373,CNS(=O)(=O)CC1[NH+]=C(N)CC1C,0,GDB ChEMBL
190402,CC(Cc1cnnc(N)n1)c1ccsc1,1,GDB ChEMBL
304065,CCC1(CO)CC2(N)CCCC[NH+]1C2,0,GDB ChEMBL
101031,CC(C)C(C)C1C(C)CCCC1(C)C,1,GDB ChEMBL
172791,C#CCC1OCCCC(C=O)C1C(C)[NH+](C)C,0,GDB ChEMBL
348414,CC12CCC(CO)C1C(O)C([NH3+])C2O,0,GDB ChEMBL
41639,Cn1cnc(C23C[NH2+]C(CO)(CO)C2O3)c1,0,GDB ChEMBL
6129,C#CC1(CC(O)C[NH3+])COC1,0,GDB ChEMBL
10963,CC12CC(O1)C(O)C2C[NH2+]CC(O)CO,0,GDB ChEMBL
24007,C#CC1(C)C(=O)C(C)(C)CCCCN1C,0,GDB ChEMBL
194496,CN1CC(O)C(O)CCC1=O,1,GDB ChEMBL
127882,CCOC1C=CC2=C1C(=O)CCC2,0,GDB ChEMBL
94636,CC(C)CC[NH2+]C1CCC(C#N)(NC=O)C1,0,GDB ChEMBL
174168,COCC1(C)CC(C(N)=O)[NH2+]1,0,GDB ChEMBL
239365,[NH3+]C1CC2CC3CCN(C2)C1C[NH2+]3,0,GDB ChEMBL
290132,CCN(C)C(C[NH3+])C([NH3+])CNC(=O)C(N)C#N,0,GDB ChEMBL
389599,C#CC(C(N)=O)C(CO)NCC1(N)C[NH2+]C1,0,GDB ChEMBL
222192,COC1CC(O)C=CC1C(C)C1CC1,0,GDB ChEMBL
117315,CCOC1COC(=O)CC(C#N)C(C)C1,0,GDB ChEMBL
372217,CC1(CCO)OC(=O)CNCC1=NO,1,GDB ChEMBL
47512,CCC1C(O)CC[NH2+]CC1O,0,GDB ChEMBL
189838,CCc1c(I)cccc1C(C)C(C)C[NH3+],0,GDB ChEMBL
290530,CCCc1ncc(F)c(C[NH+](C)CCC)c1O,0,GDB ChEMBL
104708,CCC(O)C12CCCC1C1CC[NH2+]C1CC2,0,GDB ChEMBL
115171,CCCC1CC23C[NH+](C2)C1C3O,0,GDB ChEMBL
246767,NC(=O)OC1CN2C(=O)C(=O)OCC12,1,GDB ChEMBL
148244,C[NH+]1CCC1Cn1nnc(CCO)n1,0,GDB ChEMBL
357669,Cc1c(C2CCCCCC2)csc1C1CC1,1,GDB ChEMBL
186737,CC(=O)OC1CC1CC(C[NH3+])C[NH3+],0,GDB ChEMBL
140313,CC1C(CC(O)CO)C2CC1(C)C[NH+]2C,0,GDB ChEMBL
366627,CC1(O)CCCCCC12C=CC[NH2+]CC=C2,0,GDB ChEMBL
77798,NC=[NH+]CC1CC(=O)CC(C(=O)[O-])N1,0,GDB ChEMBL
170287,C[NH2+]C1COC(C2([NH3+])CC(C)[NH2+]CC2C)C1O,0,GDB ChEMBL
104691,CCC1CC2CCCC=CCCC2C1CC,0,GDB ChEMBL
271015,C#CC1=CCC(CC)(CC2CC2)CCCC1,0,GDB ChEMBL
97212,CNC(=O)CCNC(C)=O,1,GDB ChEMBL
390087,N=C(N)N(C=O)C1(CC(N)=[NH2+])COC1,0,GDB ChEMBL
160955,CC#CC1C=C(C(O)CC)C2(C1)C[NH+](C)C2,0,GDB ChEMBL
67600,CCc1cc(Cl)c2ccc(C(C)(C)C)cc2c1,1,GDB ChEMBL
356816,CC1=CCc2cnccc2C1C,1,GDB ChEMBL
71695,COC(CO)C1C2C3CC3([NH3+])C(=O)N12,0,GDB ChEMBL
233416,N#CC1C2[N-]C(=O)C13CC([NH3+])C2O3,0,GDB ChEMBL
376986,CCC1OC(=O)C(C)(C)C1O,1,GDB ChEMBL
391343,CN(C(=O)CCC#N)S(=O)(=O)CCNC=O,1,GDB ChEMBL
395940,CC1=CCC(CO)C(C)(O)C1=O,0,GDB ChEMBL
363800,CC1C2OC2C(C(=O)N(C=O)C(=N)N)N1C,0,GDB ChEMBL
61509,CCC#Cc1cnc(N)c(O)n1,1,GDB ChEMBL
255516,CCCN(CC=O)c1cn[nH]c1,1,GDB ChEMBL
38201,C#CCCC(=O)NC1CC1C#CC(C)C,0,GDB ChEMBL
122730,C[NH2+]C1C(C)[NH+]2CC(C2)C2(CC2)C1C,0,GDB ChEMBL
156165,CCC1C2CC3CCC2CCC31C,0,GDB ChEMBL
350926,C[NH2+]C1CC1(COC)C(=O)CO,0,GDB ChEMBL
227313,NC(=O)C1(CO)NCC2OC(=O)NC21,0,GDB ChEMBL
306324,CC(C)COC1CCC(C)CC1C(C)O,1,GDB ChEMBL
223553,CCOCCC1C=CC(=O)N1,1,GDB ChEMBL
140873,CCC(O)C(=O)C(C#N)CO,1,GDB ChEMBL
141712,CS(=O)(=O)CC(O)(C#N)C(N)=O,1,GDB ChEMBL
156741,COC1CC(=O)C(NC(=O)NC=O)C1,1,GDB ChEMBL
130378,Cc1nsc(CNC(=O)CCO)c1C(N)=O,0,GDB ChEMBL
255384,CCCCC1CC2=CCC3C(C1)C23C,0,GDB ChEMBL
137124,CC(C)[NH+]1CCC2(C1)NC2(C)C,0,GDB ChEMBL
181601,C=C1CCOC1CCC1CC=CC1,1,GDB ChEMBL
343246,CCC1CC=CCC2C[NH2+]C(C)(CC1)C2C,0,GDB ChEMBL
240478,C=CCC(=C)C(C)C(O)C=C(C)C,0,GDB ChEMBL
351309,CCCC1[NH2+]C(C(C)C)C2(C)CN2C1=O,0,GDB ChEMBL
334686,C[NH2+]C1C=CC([NH3+])C(O)CC1,0,GDB ChEMBL
84439,CC1CCC2[NH2+]C3CC(O)C12C3,0,GDB ChEMBL
5322,CCC1C(CC)C1CCC1CCCCC1C,1,GDB ChEMBL
263837,NC(=[NH2+])N1C=CS(=O)(=O)NCC(O)C1,0,GDB ChEMBL
324086,CCC1CC(O)C(C2C(CO)CC(C)C2C)O1,0,GDB ChEMBL
204536,CCC(C)c1cc(O)cc[nH]c(NC)cc1C,0,GDB ChEMBL
334411,[NH3+]CC(O)C1[NH2+]C(CCO)C1C[NH3+],0,GDB ChEMBL
112899,NC(=O)C(=O)Nc1ccn[nH]1,1,GDB ChEMBL
146958,COC1CC(C)C2C[NH2+]CC(C)C12,0,GDB ChEMBL
43935,CN(C(=O)N1CCC1)c1ncnc(N)n1,1,GDB ChEMBL
199464,CC[NH2+]CC#Cc1ccc(C)c(C#N)c1I,0,GDB ChEMBL
339072,CC(C#CC#CCCC[NH3+])C(F)(F)F,0,GDB ChEMBL
291501,CC(C)(O)C1[NH2+]CC1NC(=O)CC(N)=O,0,GDB ChEMBL
29495,CCOC(=O)C1(CO)NC1C=O,0,GDB ChEMBL
161416,N#CC1C(CO)OC(=O)C2C(N)C12C[NH3+],0,GDB ChEMBL
26039,C#CCC([NH2+]C)C(O)(CC(C)CC)C(N)=O,0,GDB ChEMBL
349504,Clc1ccc2c(n1)C=C(C1COC1)C[NH2+]C2,0,GDB ChEMBL
278201,CNC(C)(C#N)C(N)(CO)CC(=O)[O-],0,GDB ChEMBL
247627,C#CC(CC)C(C)c1cc2c(cc1F)CCC2,1,GDB ChEMBL
199066,C#CC1CC12CCCCCC(CC)C2,1,GDB ChEMBL
205806,C#CC(C=C)(CC)[NH2+]CCCC[NH3+],0,GDB ChEMBL
148211,CCC(C)C1C(O)C2CCC(C)(C)C1C2C,0,GDB ChEMBL
355818,O=C1OC2C(CO)[NH2+]CC(O)C12,0,GDB ChEMBL
165941,C#CC1=CC2CC1C(CC)C[NH2+]2,0,GDB ChEMBL
175859,COCC1(C)CC(=O)C2C(O)C21,0,GDB ChEMBL
250611,CC(O)C1(CC#N)C(CC[NH3+])C1C(=O)[O-],0,GDB ChEMBL
45086,CC12CCC[NH2+]C1C2NCCC(O)CCO,0,GDB ChEMBL
207011,C#CCC12CCOC1(c1ccccc1F)C2,0,GDB ChEMBL
155107,C#CCC1CC(C#N)C(C)NCC(C)(C)[NH2+]1,0,GDB ChEMBL
53252,NC1CN2C(=O)C3OC3C2COC1=O,0,GDB ChEMBL
61799,CC1CC2CC1(C)CC2CO,1,GDB ChEMBL
280838,N#CC1C(C(O)C(N)C[NH3+])N1C(N)=O,0,GDB ChEMBL
70070,COCC1=CC(=O)CC(C)=CCOC1,0,GDB ChEMBL
386188,CC(C)[NH+](C)C1CC(C(O)S(N)(=O)=O)C1,0,GDB ChEMBL
200961,CCC(C)(C)c1cnc(C(C)CC[NH3+])c(O)c1,0,GDB ChEMBL
210980,CC=CCCCc1c(C)ccn1C,1,GDB ChEMBL
217126,CC(C#N)C1OCC2CC(CC[NH2+]2)O1,0,GDB ChEMBL
120739,Cc1ccc2c(c1F)CCC(C1CC1)C=C2,1,GDB ChEMBL
188076,CCC1CC2CC[NH+]1CC[NH2+]2,0,GDB ChEMBL
271576,COC(N)=[NH+]CC(C#N)CS(=O)(=O)[O-],0,GDB ChEMBL
251049,[NH3+]C1C(=O)NCCC(O)C12CO2,0,GDB ChEMBL
166463,CCC1CC(C([NH3+])CC)C1,0,GDB ChEMBL
175746,CC(C[NH3+])(CC(N)C#N)C(=O)[O-],1,GDB ChEMBL
267895,CCC1CCCC2(CC)CCC1C2,0,GDB ChEMBL
253613,CC1C[NH+](C2COCC2CC2CC2)C1,0,GDB ChEMBL
315146,CC1CC([NH3+])C(S(N)(=O)=O)C(O)C1C(N)=O,0,GDB ChEMBL
338400,CCCC(C)c1c(Cl)cccc1CC(C)CC,1,GDB ChEMBL
277444,CCC1(OC(C)=O)C2COC21,0,GDB ChEMBL
371735,N#CC1CNC(=[NH2+])CC(O)CC(=O)O1,0,GDB ChEMBL
308203,O=C([O-])C(=O)C1C2C3CC3CN12,0,GDB ChEMBL
21719,Nc1cc(N)c(C(=O)[O-])c(Br)c1Br,0,GDB ChEMBL
39746,C[NH2+]CCC(C#N)OCC=O,0,GDB ChEMBL
71296,O=C([O-])c1[nH]c2c(c1O)S(=O)(=O)NCC2,0,GDB ChEMBL
277888,C#CC1C(C)CCCC1C(C)CC,1,GDB ChEMBL
33331,CCC12OC1CC(C)C[NH2+]C2C,0,GDB ChEMBL
366073,CC(CO)(OC=N)C(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
331749,N=C(N)NC(=O)C1(O)COC1=N,1,GDB ChEMBL
267360,CCOC1C2C=CC(C2)C1C,1,GDB ChEMBL
183472,CCCN(CC=CC(C)=O)C(C)=O,1,GDB ChEMBL
374028,COC(=O)C1=CC2CCC2(O)C1,1,GDB ChEMBL
363757,NC(=O)CCC1[NH2+]CC2C(O)C12,0,GDB ChEMBL
331174,CC(C)C1CC=C(C(C)(C)[NH3+])CNC1=O,0,GDB ChEMBL
119669,CCn1c(N)c(O)c(CCOC)c1[NH+](C)C,0,GDB ChEMBL
33251,C=CC(NCCC(=O)[O-])C(N)=[NH+]C,0,GDB ChEMBL
141750,C#CC(C#C)OCC=CCCCC,1,GDB ChEMBL
386595,CC#CCC(C)C1CC(C)CCC1C,1,GDB ChEMBL
372107,CC([NH3+])C1CC([NH3+])CN1C=O,0,GDB ChEMBL
130426,NCC1[NH2+]CC=C1CC(=O)[O-],0,GDB ChEMBL
67601,CC1OC(C(O)c2cscn2)C(O)C1C(=O)[O-],0,GDB ChEMBL
175908,Cc1ncnn1C(CC(O)CO)C(O)C(=O)[O-],0,GDB ChEMBL
73868,C#Cc1c[nH]cc1C(N)=O,1,GDB ChEMBL
353253,C#CCC1(C)[NH2+]CCC(CC(C)C)C1CC,0,GDB ChEMBL
77765,CC1C=C(CCO)CC([NH3+])C1C,0,GDB ChEMBL
286899,N#CC(C#N)([N-]C(N)=O)C(N)CO,0,GDB ChEMBL
177258,CC1CN2C3C(O)C(=O)NC1C32,0,GDB ChEMBL
18934,CC(C)C1(O)CCOC(=O)CNCC1[NH3+],0,GDB ChEMBL
379842,O=C1OCC2C(O)C2NC1CO,0,GDB ChEMBL
12761,CCCCC1C2CC3C(C[NH2+]2)C13,0,GDB ChEMBL
192607,CC1C(=O)C2C[NH+]3CCC2CC13,0,GDB ChEMBL
322958,CC1=CC(C)C(C)(O)C1,1,GDB ChEMBL
288621,CCCCC1[NH+]2CCCC1(CC(C)C)C2,0,GDB ChEMBL
383340,CCC1CC(C[NH3+])C(OC)C([NH3+])C1OC=O,0,GDB ChEMBL
222562,CCC[NH+](C)CC(O)CC1OCC2[NH2+]CC21,0,GDB ChEMBL
249825,CCCc1nc(Br)cc(CO)c1C,1,GDB ChEMBL
383685,CCN(CC(=O)NC(C)C)C(=[NH2+])CCC=O,0,GDB ChEMBL
156174,O=CC1CCCCCC2CCNC2=[NH+]1,0,GDB ChEMBL
234280,CCC(C)=CC(C)(CC)OC(C)C,1,GDB ChEMBL
334703,CC1(CO)C(O)C(=O)NCC([NH3+])C1OC(N)=[NH2+],0,GDB ChEMBL
384863,CC1(C)CC1CCC1CCCCCC1,1,GDB ChEMBL
90342,CCC1C=CC2CC1C[NH2+]CC2CC,0,GDB ChEMBL
246774,C#CCC(=O)CCC#CCc1ccccc1,1,GDB ChEMBL
349607,CC1OCC(C)(N)C(=O)OC(C[NH3+])C([NH3+])C1O,0,GDB ChEMBL
92892,C1=C2CC=C3CCC[NH+](CCOC1)C23,0,GDB ChEMBL
338406,CC(C)(O)C(C(N)=[NH2+])C(=O)NCCCO,0,GDB ChEMBL
363545,COCC1[NH2+]CC(C(C)(C)C)OC1C,0,GDB ChEMBL
264019,CCC1CC2(CCC(C)CC2)CC1C(C)(C)C,1,GDB ChEMBL
95152,C#CC(CCC([NH3+])C1CC(C)CC1O)C(=O)[O-],0,GDB ChEMBL
54847,C[NH+]=C(N)NC(=[NH2+])C(C)(N)COC(C)=O,0,GDB ChEMBL
382523,CC1OC(C(=O)[O-])C1C(N)=O,0,GDB ChEMBL
363594,CC1C[NH+]2CC(C=O)CCN1C(C)C2,0,GDB ChEMBL
350257,O=C(NC1COC1)c1ncns1,1,GDB ChEMBL
289272,CCC(=O)CN1CC2(CC=CC2)C1,1,GDB ChEMBL
352566,C[NH2+]CC1C(C(C)=O)OCC1C(C#N)C(N)=O,0,GDB ChEMBL
5334,C#CC1C(CCC)=CCCCC1CC,0,GDB ChEMBL
64347,CC(C)CCC[NH+]1C2C=CCC21,0,GDB ChEMBL
284760,C=C1CCC(C)C2CCCOC1C2,0,GDB ChEMBL
186730,CCC1CC(C)C(C)(C)C2CC1OC2C,0,GDB ChEMBL
156102,C#CC[NH+]1CC(C(C)CC(O)C[NH3+])C(C)(O)C1,0,GDB ChEMBL
343214,CCC(C#N)Cc1cc([O-])c([N+](=O)[O-])c([O-])c1,0,GDB ChEMBL
309200,Fc1ccc(CC2OCOC3CCC32)cc1,1,GDB ChEMBL
398966,CCc1[nH]c2c(F)cc3c(c2[nH+]1)CCN3,0,GDB ChEMBL
119445,COCC1=C(C)CC(C)(C[NH3+])OC1=O,0,GDB ChEMBL
77805,CC(C#N)C(CO)(CC[NH2+]CCN)N1CC1,0,GDB ChEMBL
127483,N#CC(=N)NC(CO)C(N)=O,1,GDB ChEMBL
174636,CCn1ccc(=O)c(=N)c2c(C)nccc21,0,GDB ChEMBL
177122,CCC1COCC=CC1=O,1,GDB ChEMBL
84212,C#CCC(CC#C)(CCC(C)C)[NH+](C)C(C)C,0,GDB ChEMBL
330152,CC(CC(C)n1cnnn1)NC=O,1,GDB ChEMBL
17340,C1=C(Cc2ccncc2)CCNC12C[NH2+]C2,0,GDB ChEMBL
157424,Nc1c(C2CCC[NH2+]2)cc(Cl)[nH]c1=O,0,GDB ChEMBL
212604,C=CCC1CC2(C)CC1CC2[NH2+]C,0,GDB ChEMBL
87498,N#CCC#CC1CNC(=O)C1,1,GDB ChEMBL
396735,CCC1(CO)OC1C(O)C(=O)C(N)=O,0,GDB ChEMBL
164648,C=CCCC(C)CC=CCC(C)C,1,GDB ChEMBL
263268,C[NH+]1CC2OCC(C)(C1)CC1(CCO)OC21,0,GDB ChEMBL
306007,CCC(C(C)CCO)C1CC(C)([NH3+])CC1(C)C,0,GDB ChEMBL
21451,COC(=O)C1N=CN2C(C[NH3+])C12CO,0,GDB ChEMBL
393981,C#Cc1cc(CC)cc(C2(C)CC2)c1Cl,1,GDB ChEMBL
31398,CC(=O)OC12CC([NH+](C)C)CNC1C[NH2+]C2C,0,GDB ChEMBL
292972,Cc1noc(=O)c(NCCO)n1,0,GDB ChEMBL
236731,COc1c(Br)ccc2c1C=CCC2,1,GDB ChEMBL
294788,CC([NH3+])C1CC1(C)C1C(=O)OCC1C[NH3+],0,GDB ChEMBL
48208,CCOC1C(C)C(C)(CC(C)C)C1C,1,GDB ChEMBL
97121,Cc1cc2c(cc1OC1CN(C)C1)COC2,1,GDB ChEMBL
177096,CCc1c(C(C)C)ccc2c1C=CC2,1,GDB ChEMBL
40027,CC(O)C1NS(=O)(=O)C2C(N(C)CC[NH3+])C12N,0,GDB ChEMBL
93116,C[NH2+]C(C)C1CC(=CC(O)C[NH3+])C1,0,GDB ChEMBL
185936,CC1NC(=O)C(N)C2C([NH3+])C1C2O,0,GDB ChEMBL
354737,CCC1C(C)CC2CC(C)(CC)CCCCC21,0,GDB ChEMBL
24491,CCC(O)C(CCC=O)OC,1,GDB ChEMBL
328838,C#CC1=CCc2ccc(Cl)cc2CC#CC1,0,GDB ChEMBL
370363,N=C1NCc2oncc2C(=O)N1,1,GDB ChEMBL
201363,Cc1cc(C(C)(C)C)c2oc(C)nc2c1,1,GDB ChEMBL
262556,CCCCC(CCC)CC1(C)CC1CC,1,GDB ChEMBL
18874,CCC(=O)C(C)CCC(=O)C(C)(C)C(=O)OC,1,GDB ChEMBL
225829,CC1(O)CCN(CC=O)CCOC1C#N,0,GDB ChEMBL
244320,N#CC1C2C(OC(N)=O)CNC(=O)C12O,0,GDB ChEMBL
87019,CCCOC(CC)C1(C)CC1,1,GDB ChEMBL
311299,CC1OC2(C(C)C)CCC[NH2+]C12,0,GDB ChEMBL
240485,CC1C(C)(C)CC[NH+](C2CC2)CC1(C)C,0,GDB ChEMBL
34171,C=CC=CCCC1C[NH+](C)CC1C,0,GDB ChEMBL
59662,C[NH2+]Cc1ccsc1C(=N)NCC#N,0,GDB ChEMBL
281202,O=C1OCC2C1CC1(O)COC2C1O,0,GDB ChEMBL
285606,CC(C)C1CCC2C(C)CCC(C(C)[NH3+])C[NH+]12,0,GDB ChEMBL
321804,CCC1=CC(C)CC(C)C1(C)CC(C)C,0,GDB ChEMBL
54119,C=C1C(=O)NC2CC2CCOC1=O,1,GDB ChEMBL
305818,CC(C)=CC1CC=CC(C(C)C)O1,1,GDB ChEMBL
372211,CC1[NH+]=C(N)C2C=CCCCC1C2,0,GDB ChEMBL
215332,COC1(CO)C[NH+](C2CCC2)C1C,0,GDB ChEMBL
321793,N=C1OC(CCS(=O)(=O)[O-])C1C(=O)[O-],0,GDB ChEMBL
204610,COC(C(O)C(N)=O)C(C=O)C(C)[NH+](C)C,0,GDB ChEMBL
151735,NC(=[NH+]CCO)C(C=O)CO,0,GDB ChEMBL
308173,Cc1cc(C2(C(C)(C)[NH3+])C[NH2+]C2)c(F)cn1,0,GDB ChEMBL
6501,CCC(=N)N1CC=C(C)C1=O,1,GDB ChEMBL
280691,[NH3+]C1COC2CC(C2)OC1,0,GDB ChEMBL
348645,C#CCCCCCCc1c(F)cc(F)nc1O,1,GDB ChEMBL
2365,C#CC1C(CCCC(F)(F)F)CCC1C(C)C,0,GDB ChEMBL
214018,OC1(CCc2cc(I)cc(I)c2)CC=CC1,1,GDB ChEMBL
225022,C=C(C)C(C)(O)c1ccnc(N)c1,1,GDB ChEMBL
252748,NC(=O)CNc1nc(O)nn1CC([NH3+])CCO,0,GDB ChEMBL
347015,N#Cc1cnc2c([O-])c[nH]c2c1[N+](=O)[O-],0,GDB ChEMBL
227735,CCc1cc[nH]c1C(O)C=CC[NH3+],0,GDB ChEMBL
394255,CC(=O)N1C=CC(CNC(N)=[NH2+])C1,0,GDB ChEMBL
304295,CCc1[n-]cc(C(C)C(=O)N(C)C)c(=O)c1F,0,GDB ChEMBL
45223,C#CC(=O)OC(C)C(N)C#N,1,GDB ChEMBL
257454,C=CCC(C=C1CCC1)CCCC,1,GDB ChEMBL
165953,N#CC(C(N)=O)N1C2CS(=O)(=O)CC21,1,GDB ChEMBL
321445,CC(C[NH3+])C(C)Nc1nn[nH]n1,0,GDB ChEMBL
203243,C=CC(C#N)C(CC)CCN1CC1,0,GDB ChEMBL
250548,Cc1c2c(cn1C)CC(=O)NC(=N)CN2,1,GDB ChEMBL
109511,Cc1ccc(CC2CCCC(N)=[NH+]C2C)cn1,0,GDB ChEMBL
283409,Cc1c(O)c2c(c(Br)c1Br)CCC(C)C2,1,GDB ChEMBL
231128,COc1n[nH]c2c1NCC(=O)NC2,1,GDB ChEMBL
188505,C#CCC(CC#CC)C(C)(C)CC,0,GDB ChEMBL
315137,C=CC1(C)CC2CC(CC)CC2C1,1,GDB ChEMBL
80438,CC1OC2C(CO)OC1C(O)C2O,0,GDB ChEMBL
299769,NC(=O)C1NC1C1OC(=O)CC1O,0,GDB ChEMBL
87065,CCC(C)([NH3+])C1OC(=O)CC1(C[NH2+]C)C(N)=[NH2+],0,GDB ChEMBL
53081,CC1OC12C(O)CC(NC(=O)C[NH3+])C2O,1,GDB ChEMBL
246798,CCC#CCCCC(C)C(CC)CC,1,GDB ChEMBL
314163,C#CCN1C(C)C[NH2+]C2CC(C)C3CC3C21,0,GDB ChEMBL
1505,CCC(C)CC(C)CCCC1(O)C(N)C1[NH3+],0,GDB ChEMBL
323147,CC1CCC2(C)CCCC1C2C1CC1,0,GDB ChEMBL
21683,C#CC(CO)(C(C)[NH2+]C)N(C)C,0,GDB ChEMBL
277076,N#CCCS(=O)(=O)N1C(=O)CN=C1N,1,GDB ChEMBL
271595,C[NH2+]CC1CC2(CCCC2)C1,0,GDB ChEMBL
2395,CC1CCC2CN(C)C(=O)C(CO)[NH+]12,0,GDB ChEMBL
384817,CC(C)c1ncc2c(c1C(N)=O)CC(C)(C)C2,1,GDB ChEMBL
306321,C#CC(C)(C)[NH+](CC(C)C)C1CC(CO)C1,0,GDB ChEMBL
305249,CC1(C(O)CS(N)(=O)=O)OC1CC[NH3+],0,GDB ChEMBL
372704,[NH2+]=c1nc(C[NH3+])cc(N2CCCCOC2=O)[nH]1,0,GDB ChEMBL
330367,CC1CC2C=CCC3C2C3[NH+]1CCO,0,GDB ChEMBL
26321,C=CC(=O)C1C(C)CC(=O)C1[NH2+]C,0,GDB ChEMBL
21707,CC1CCC(C2CCCC2)C(C)(C)C(C)C[NH2+]1,0,GDB ChEMBL
304170,CCC(OC)C1=[NH+]CCN1,1,GDB ChEMBL
378877,CC1C=CC2(C)C(C(C)C)CCC2C(C)C1,0,GDB ChEMBL
307492,COC(C)(CNC=O)C(C)O,1,GDB ChEMBL
251877,C#CC[NH2+]CCC(C)(C(C)=O)C(C#C)C[NH2+]C,0,GDB ChEMBL
358404,C#CCCC(C)CC1C(C(C)CC)C1(C)C,0,GDB ChEMBL
239345,C[NH+](C)CCC1CN1,0,GDB ChEMBL
218810,C[NH2+]C1C(O)C(O)C(C(N)=[NH2+])C1O,0,GDB ChEMBL
77263,CC([NH2+]CCCCC(C)C(F)(F)F)C(C)(C)C,0,GDB ChEMBL
203215,C#CC#Cc1noc2cc(F)c(C)cc12,1,GDB ChEMBL
227566,CCC1CCC(C)C(CO)[NH2+]1,0,GDB ChEMBL
218573,CC1([NH3+])CC2CCOCC23CC(=O)NC13,0,GDB ChEMBL
151172,C=CCC1=CC(C[NH3+])C(O)(CC)C1,0,GDB ChEMBL
175576,C#CCC(C[NH2+]C)Cc1cc([O-])no1,0,GDB ChEMBL
31403,N#CC(=N[O-])C(=O)NC(N)=O,1,GDB ChEMBL
93720,CC[NH2+]C1C(C)C(C)(C)CCC1(CC#N)OC,0,GDB ChEMBL
297041,CC1=CCCC2C(C)C=CCC2(C)CC1,0,GDB ChEMBL
235235,NCC1CC=CCC(CO)N1C=[NH2+],0,GDB ChEMBL
140384,Cc1c2cc(Br)cc1CC=CCCC=C2,1,GDB ChEMBL
182533,CCN=CN(CCC[NH3+])C(C)(C#N)CO,0,GDB ChEMBL
279288,CN(C)C(C(N)=O)C1(C#N)COCOC1,1,GDB ChEMBL
203197,C[NH+]1CCC(OC(C=O)c2c[nH]nc2C#N)C1,0,GDB ChEMBL
131687,CC(=O)OC(CCO)C1NCC(C)S1(=O)=O,1,GDB ChEMBL
315251,C[NH2+]CCC([NH3+])CN(C)c1nn[nH]n1,0,GDB ChEMBL
136729,CC1(C)CC[NH2+]CCCC(=O)C1,0,GDB ChEMBL
321994,CC#CC1(O)C(C)CC2C(C)CCC21C,1,GDB ChEMBL
47537,COCC1CN(C)C1=O,1,GDB ChEMBL
137385,CCOCC([NH3+])CC(CO)C1CC(C)(C)C1,0,GDB ChEMBL
303358,[NH3+]CC#Cc1nsc(CC([NH3+])C(=O)[O-])c1[O-],0,GDB ChEMBL
116060,CCNC1(C)C(=O)OC2CNS(=O)(=O)C21,0,GDB ChEMBL
289222,N#CC1NC(=[NH2+])NC1C(N)CO,0,GDB ChEMBL
312861,CC1=CCCCCC1(O)CC(F)(F)F,1,GDB ChEMBL
21475,O=C1CNC2CCOCC23CC13,0,GDB ChEMBL
38524,NC(=O)N1CC=CC(=O)C1=O,1,GDB ChEMBL
371701,COCC1C(O)C2C[NH2+]C(C)C1O2,0,GDB ChEMBL
134001,Cc1c(O)c(C#N)c(C(C)[NH3+])c([O-])c1Cl,1,GDB ChEMBL
116643,CC1OC(=O)C(N)COCC(O)C(C[NH3+])C1[NH3+],0,GDB ChEMBL
39751,C#CCC(CO)CC(O)(CC)C1CCC(C)C1,0,GDB ChEMBL
281187,C#CCCC([NH3+])CC1(N(C=O)CC)CCOC1,0,GDB ChEMBL
165205,CC1C(O)C1(CC[NH3+])CC1CC1,0,GDB ChEMBL
306410,CCC12OC(=O)CCC1(CO)C2O,0,GDB ChEMBL
186673,CCOC1CNC(C)(C(N)=[NH2+])CCC(=O)C1,0,GDB ChEMBL
250545,C[NH2+]CCN(C=O)C(C)CC(C)C,1,GDB ChEMBL
6533,CNC1CC1([NH2+]C)C(=O)[O-],1,GDB ChEMBL
201473,CN1C(=O)OC(C[NH3+])C1CCS(N)(=O)=O,0,GDB ChEMBL
231118,NC(=O)CC(O)C(O)C12CCC([NH3+])CC1O2,0,GDB ChEMBL
9771,C#CCCOC(C)C1CC1CC=C,1,GDB ChEMBL
23483,CC(C)C[NH2+]C1(C)CC2(C)CCC(O)C1C2,0,GDB ChEMBL
184255,CCc1[nH]cc(C#N)c1NC=O,1,GDB ChEMBL
232090,CCC(CC)C1C[NH2+]CC(C(C)C(C)(C)C)C1,0,GDB ChEMBL
301472,CCOC(=O)NCC1(CC=O)[NH2+]CCC1(C)O,0,GDB ChEMBL
124545,CC1C[NH2+]CCC(CO)CC2(N)C([NH3+])C12,0,GDB ChEMBL
397933,CCCC1CC1(C)c1cccc(Br)c1,1,GDB ChEMBL
129783,CC1=CCOCC1C(C)O,1,GDB ChEMBL
93735,CCOC(=O)C1OC(=O)NC=CC1O,0,GDB ChEMBL
310323,C[NH2+]CCC1(C[NH+](C)C)CN(C=O)C(C)CO1,0,GDB ChEMBL
360873,O=C1OCOCCOCC1O,1,GDB ChEMBL
274225,CC(O)CN1CC(=O)C2CC(O)C1C(O)CO2,0,GDB ChEMBL
362196,COC12CC1C(=O)N(C(=N)NC(N)=O)C2=O,1,GDB ChEMBL
339949,CC#CC(CO)C(C)CCCCCC,0,GDB ChEMBL
254915,C#CCC(CC)C1[NH+](C)CCC(C)([NH3+])C1(C)C,0,GDB ChEMBL
363186,CCC1=C(C)CCC(CO)C1C[NH2+]C,0,GDB ChEMBL
318383,CC1NC1(COCC[NH3+])c1cccnn1,0,GDB ChEMBL
344348,CCCc1ccc(C)c(CC([NH3+])CC)c1CO,1,GDB ChEMBL
208350,C#CCC1OCC([NH3+])CO1,1,GDB ChEMBL
203143,CC(=O)N(C)C1CC=CC=CC2(C)CC12,0,GDB ChEMBL
57307,CCC1CCC2(O)C1=CCC2[NH+](C)C1CC1,0,GDB ChEMBL
174281,Cc1ccc(C(C)(C)CC2CC2)cc1,1,GDB ChEMBL
366892,CCC(O)C(O)C1(C(=O)[O-])CN1S(C)(=O)=O,0,GDB ChEMBL
395961,COCC(C#N)(CO)CC(N)C(O)C#N,0,GDB ChEMBL
22584,C[NH+](C)CCC1C2CC3[NH2+]C3(C)C12,0,GDB ChEMBL
34439,Cc1c(N(C)C)ccoc1=O,1,GDB ChEMBL
258750,CN1C2C(CS1(=O)=O)C1COC2(C)C(=O)N1,0,GDB ChEMBL
210263,CC1CNc2c(Br)cccc2C(O)C1,1,GDB ChEMBL
61763,CCC([NH3+])CNc1c[nH]cc1C([NH3+])CC(C)O,0,GDB ChEMBL
142530,CCCCn1nc(C(C)=O)cc1C1C[NH2+]C1,0,GDB ChEMBL
157437,CCNC(=O)C(C)([NH3+])CC1OCC2CC21,0,GDB ChEMBL
71481,COC1C(O)C(O)C2(CC(N)=O)OC12,0,GDB ChEMBL
53660,C[NH2+]C1C2COC1C(C(O)C(=O)[O-])N2,0,GDB ChEMBL
363191,COC12CNC(=O)CC=C(C#N)C1(O)C2[NH3+],0,GDB ChEMBL
271024,O=C([O-])CC1CCC2CC(C[NH2+]C1)C2,0,GDB ChEMBL
217708,CC1CC=C2C(=O)CCC21C,1,GDB ChEMBL
318374,N#CC1CN(C(=N)NCC[NH3+])S(=O)(=O)C1,0,GDB ChEMBL
189997,C[NH+]1CCC2CCC2NC(=O)C1,0,GDB ChEMBL
76095,CCC12CN(CC1=O)C2C[NH2+]CCO,0,GDB ChEMBL
389419,CC1[NH2+]CC(C#N)CC2CCC1C2C,0,GDB ChEMBL
47203,O=C(C1=CCOC1)c1cccc(I)c1,1,GDB ChEMBL
216478,C[NH+]1CCCC1C(=O)[c-]1ccc(=O)[nH]1,0,GDB ChEMBL
99824,CCC1[NH2+]C1CC(C[NH3+])C[NH3+],0,GDB ChEMBL
17538,COC(=O)C1(N)CC1C[NH3+],0,GDB ChEMBL
257959,CN(C=O)C(=O)CNC(C=NO)CC(=O)[O-],1,GDB ChEMBL
201047,CCCC1NC(=O)C=C1C(C)C[NH2+]C,0,GDB ChEMBL
278126,C#CC1C(C)C2CC1(c1ccc(Cl)cc1)C2,1,GDB ChEMBL
23509,Clc1ccc2c(c1)C1CCC(C=C2)CC1,1,GDB ChEMBL
33274,COCCCCC(C)C(C)CC1C[NH2+]C(C)C1,0,GDB ChEMBL
193789,CN(C=N)C(=O)C(C)(CO)CO,1,GDB ChEMBL
21591,N#CCCN=C1NCC(=O)NC(=O)CN1,0,GDB ChEMBL
157049,C#CC(OCC)C1C=CC(C)C(CC)C1=O,0,GDB ChEMBL
109176,C=C1C(=O)OCCC(O)C1(N)C[NH3+],0,GDB ChEMBL
76926,C#CC12CCC[NH+](CC3CC3)C1C2,0,GDB ChEMBL
323177,CCNC(=O)NC1C=Cc2[nH]c(C)cc21,1,GDB ChEMBL
112518,COC(C(C)[NH3+])C([NH3+])CCNC(C#N)CCO,0,GDB ChEMBL
24523,CC(CC(O)C[NH3+])C1NC(=O)OC1CC(=O)[O-],0,GDB ChEMBL
347986,CN1C2CC(=O)NC(CO)CC21,0,GDB ChEMBL
147927,CC(C)Cc1cc(C([NH3+])C(C)(C)CC[NH3+])cs1,0,GDB ChEMBL
316303,[NH3+]CCNC1Cc2cnnn2C1,1,GDB ChEMBL
12826,COC(C)C(O)CNC(N)=[NH+]c1csc(C)c1,0,GDB ChEMBL
42577,COCC1[NH2+]CC1=C(C)CC(C)=O,0,GDB ChEMBL
48143,NC(=[NH2+])NCC#CC(N)C(O)(C[NH3+])C(=O)[O-],0,GDB ChEMBL
215413,CCC(=O)NC(=N)C(C)OC(C)(CO)CO,1,GDB ChEMBL
124235,CCCOC1CCCC2C3C1CC[NH+]23,0,GDB ChEMBL
112385,CC(=O)N1CC2C[NH2+]C2C1,0,GDB ChEMBL
11686,C1=CCC2OCCCC2CC1,1,GDB ChEMBL
358186,CC(C)C(CNC(=O)NC=N)C(=O)[O-],0,GDB ChEMBL
254211,NC1=[NH+]CC(O)(CC(=O)[O-])C(C=O)O1,0,GDB ChEMBL
338488,CNC(=O)C(N)C(N)(CCC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
104713,CCC(C)(CC=O)C(C)CC1COCCOC1,0,GDB ChEMBL
330568,CC(=O)NC1C(C)CCCC1C1(O)CC1,1,GDB ChEMBL
155091,CCC12CNC(=O)C[NH+](C1)C2,1,GDB ChEMBL
22604,COCC([NH2+]CCCO)C(=O)[O-],1,GDB ChEMBL
261223,C[NH2+]CC1C=CCC=CC2(C)CCCC1C2,0,GDB ChEMBL
305982,CC1C=CC(C(=O)C(=O)[O-])C1,1,GDB ChEMBL
366771,COC1C(CO)OC(=O)N(C)C(=O)C1N(C)C,0,GDB ChEMBL
196728,CCNc1c(NC)nnc(C[NH3+])nc1=O,0,GDB ChEMBL
268141,CCOC1C[NH2+]C2C=CCC21C,0,GDB ChEMBL
318789,C=CC1(CO)C[NH+](C)C(C)CC1C,0,GDB ChEMBL
50873,C#CC=Cc1cc(CC)ccc1C,1,GDB ChEMBL
198808,C#CCC([NH3+])CC1C(CC)C1CCC,0,GDB ChEMBL
221919,CC(CC(=O)c1nccs1)C1C[NH2+]C1,0,GDB ChEMBL
205757,C1#CC2CCC(CC2)OCCc2oncc21,1,GDB ChEMBL
247522,C[NH2+]CC(C(=O)[O-])C1OC1C(C)C(N)=[NH2+],0,GDB ChEMBL
221907,N=C(N)N1C(=O)CCC1C(=O)[O-],0,GDB ChEMBL
274597,CCC1C(N)C(C[NH2+]CCO)NS1(=O)=O,0,GDB ChEMBL
377278,C#CC1CCC(CN)[NH2+]C1C1CC1,0,GDB ChEMBL
47405,CC1CC(O)CC(O)C1C[NH3+],0,GDB ChEMBL
178016,[NH3+]C12CC[NH2+]CC(CC1O)C2,0,GDB ChEMBL
274973,[NH2+]=C1NC2C(O)C(O1)C(O)C2CO,0,GDB ChEMBL
363520,N=C1OCC1(CCC(=O)[O-])C(O)CO,0,GDB ChEMBL
709,CC#CC(O)(CC)CC(CC)C(C)(C)C,1,GDB ChEMBL
398847,[NH3+]C1C(C(=O)[O-])CNC1C1OCCO1,0,GDB ChEMBL
234257,C#CCNC(=O)c1cnsc1,1,GDB ChEMBL
341194,O=C([O-])C(=N[O-])C1NCCNC1=O,0,GDB ChEMBL
275566,CCCCC1C(C)C2CC(C)CCCC1(C)C2,0,GDB ChEMBL
173941,CCCc1c(C[NH3+])c(C)n(C)c1C1CCCC1,0,GDB ChEMBL
85006,CC12CC3CC1CC3(C)C1OC12,0,GDB ChEMBL
161771,CC(=N)OCC(O)C[NH3+],0,GDB ChEMBL
11700,C=CC1C2CCC(C2C)C1CCC,0,GDB ChEMBL
280822,CNC(C(C)(OCC1CC1)C(N)=O)S(C)(=O)=O,0,GDB ChEMBL
79354,CNC(=O)C1OC(=N)OC(C)CCC1=O,0,GDB ChEMBL
272560,N#CCOCC(=O)c1ncco1,1,GDB ChEMBL
308187,CC#Cc1cc(C(F)(F)F)c(Br)c(N)c1C,1,GDB ChEMBL
212607,CCN=C1CCCC(C)O1,1,GDB ChEMBL
240767,NC=[NH+]CC1(CO)CC(=O)C(NC(N)=[NH2+])C1,0,GDB ChEMBL
284264,C[NH2+]C1C2NCC(O)C1N(C)C2C[NH+]=C(N)N,0,GDB ChEMBL
266435,CC1CC2([NH3+])C(CC[NH+]1C)C2OS(N)(=O)=O,0,GDB ChEMBL
185275,COC(C(O)C=O)C(C#N)C(=O)[O-],0,GDB ChEMBL
59787,CCC(C)c1cc[nH]c1C,1,GDB ChEMBL
382160,CC(=O)NCC(C)C(C)C(=O)C(F)(F)F,1,GDB ChEMBL
67826,COC1(C)C=C(C)CCC1=O,1,GDB ChEMBL
225221,N#CCOCCOCc1ccno1,1,GDB ChEMBL
274849,CC1=CC2CCC(C)[NH+](C)C2(C)CCC1,0,GDB ChEMBL
165194,NC(=O)C(C[NH3+])OCC1[N-]C(=O)NC1=O,0,GDB ChEMBL
19415,C[NH2+]C1(CO)CC(=O)C(CO)(COC)C1,0,GDB ChEMBL
262231,CC1=NC(C#N)CN1CCN(C)C(=O)C(=O)[O-],0,GDB ChEMBL
179444,CCC(c1nccc(Cl)c1Cl)C1CC1CO,0,GDB ChEMBL
99574,C[NH2+]C1C2C3CC(C)(CC3[NH3+])C1CCCN2C,0,GDB ChEMBL
352205,[NH3+]CC(Nc1c[nH]c(=O)c([O-])n1)C(=O)[O-],1,GDB ChEMBL
330495,CC(=O)NC(N)=Nc1ccn(C)n1,1,GDB ChEMBL
258260,C#CC1C2CCCCCC=C(C)C(C2)C1C,0,GDB ChEMBL
199037,CCC1C(O)CC=CC1[NH+](C)C,0,GDB ChEMBL
53668,CC1([NH3+])C=CC([NH3+])C1C(O)CC(=O)[O-],0,GDB ChEMBL
155803,CCC(C)(CC)CC1CCCC1C(F)(F)F,1,GDB ChEMBL
281159,C[NH2+]C(Cc1ncccc1Br)C(=O)C(C)(C)C,0,GDB ChEMBL
280432,CC1(C)COC2C1[NH2+]CC2(N)C(=O)[O-],0,GDB ChEMBL
11213,C#CC1=CCC(OCC)C1O,1,GDB ChEMBL
264988,C#CCC1CCC(C[NH3+])(CCC)CC1,0,GDB ChEMBL
35293,CN(C)C1=NCC(=O)NC(=O)N1,0,GDB ChEMBL
194701,CC1[NH2+]C2CC1OC1(CO)CC2CCCC1=O,0,GDB ChEMBL
259715,CC12[NH2+]CCC3(O)C(=O)OC1C32,0,GDB ChEMBL
274232,COC(CC(N)=O)C1(C(N)=[NH2+])C(N)C1O,0,GDB ChEMBL
395111,[NH3+]CCC1C2CC2C2OC(=O)CC12,0,GDB ChEMBL
313706,CC1CC(C(C)C[NH3+])C(C#N)CC1[NH3+],0,GDB ChEMBL
86707,NC(=O)C1NC(=O)C([NH+]=C(N)N)C1N,0,GDB ChEMBL
254921,C=C1C(CC)CC2CCCCC12C,1,GDB ChEMBL
190821,CCNc1ncnn1C(C(=O)[O-])C(C)(C)C[NH3+],1,GDB ChEMBL
86693,COC(=O)C(Cc1nn[n-]n1)C(=O)NC(=N)N,0,GDB ChEMBL
278241,C#CCC(C)C1(CCCC)C([NH3+])C1(C)C,0,GDB ChEMBL
136094,CC(C)C(CC#N)CC12COCC(C1)C2,0,GDB ChEMBL
379138,N#CC1(O)CCNC(=[NH+]CCCC(N)=O)C1O,0,GDB ChEMBL
230400,CCCC1(O)C(C)C1(C[NH3+])C([NH3+])C(=O)[O-],0,GDB ChEMBL
387062,C#Cc1csc2ccc(Br)cc12,1,GDB ChEMBL
169038,CNC(=O)C1CC2NS(=O)(=O)CC23CN13,0,GDB ChEMBL
11221,CC(O)C(C[NH3+])CC1C(C(N)=O)C1(N)C#N,0,GDB ChEMBL
118411,CNC(=O)C1C2OS(=O)(=O)NC21CO,0,GDB ChEMBL
307985,CC1C(C(N)=O)[NH2+]C2CC21,0,GDB ChEMBL
249866,CC(O)C(=O)N(CC(=O)CCO)C(=N)CO,1,GDB ChEMBL
363234,[NH3+]CC1C2CCCCN12,0,GDB ChEMBL
176523,O=C(CC[NH+]1CC=CC1)C(O)CO,0,GDB ChEMBL
53021,C#CC(C(C)C)(C(C)CC)C(C)OC,0,GDB ChEMBL
136715,C=C1c2ccc(Cl)cc2C2CC1C2,1,GDB ChEMBL
22628,C#CC1COCC2CC3CC3[NH+]2C1CCC,0,GDB ChEMBL
116589,C#CC1CCCCCC(C(C)C)C1,1,GDB ChEMBL
9710,CCC1CCC(NC)C1[NH+]1CCCCC1(C)C,0,GDB ChEMBL
379179,C#CC(=O)N1C(N)=NC(C2CC2)C1C,0,GDB ChEMBL
340445,CC(=O)CC12C(C)C1C1CCC[NH2+]C2C1O,0,GDB ChEMBL
37587,CC(=[NH2+])N(C)CC1CCc2nscc2C1,0,GDB ChEMBL
79509,CC1C2CC(C2C#N)C(C)[NH+]1C,0,GDB ChEMBL
53064,CCC1[NH2+]C(C)(C)C2C(O)CNC(=O)C12,0,GDB ChEMBL
215426,O=C1CCC2[NH2+]CCOC12,0,GDB ChEMBL
78325,C#CC1(c2cccc(F)c2F)C2C=CCC21,0,GDB ChEMBL
51359,COC1(C)CC=CCCC(=O)C1,1,GDB ChEMBL
27915,CCCCC(O)CC[NH2+]C(C)C(N)CO,0,GDB ChEMBL
126361,CC1CNC(=O)C(=O)NC(CC(N)=[NH2+])=N1,0,GDB ChEMBL
293792,C=C1CC[NH+]2C(CCCCC)C2C1,0,GDB ChEMBL
289848,COC(CS(=O)(=O)[O-])C(N)=CC(=O)[O-],0,GDB ChEMBL
225854,CC(C)C12COC(=O)C1C(C(=O)[O-])C2,0,GDB ChEMBL
300715,CCCCN(C=O)CC(C#N)NC(=N)C(C)=O,1,GDB ChEMBL
115243,CC1CN(c2nccnn2)C1=O,1,GDB ChEMBL
382507,CN1CC2(O)COC(OC2)C1C#N,1,GDB ChEMBL
62031,CN(CCC(C)(C)O)C1C[NH2+]C2(CCC2)C1,0,GDB ChEMBL
40907,CC#CC(C)(C)Cc1cc(F)ccc1CC,1,GDB ChEMBL
22590,CN1C(CCO)COCC1C(C)(C)C(O)CO,0,GDB ChEMBL
375554,CCC1CC2CC(C#N)NCC1(C)C2,0,GDB ChEMBL
340141,CC1NC(=[NH2+])OCC[NH2+]CC1NC=O,0,GDB ChEMBL
117413,Cc1cccnc1[NH+]=CNCCC(=O)[O-],0,GDB ChEMBL
300213,CC1[NH2+]Cc2c1ccc1ncsc21,0,GDB ChEMBL
182134,CCC1[NH2+]C2CCCC3CC3C1C2,0,GDB ChEMBL
179335,CC1=CC(C2CC=CCC2)[NH2+]CC1O,0,GDB ChEMBL
191502,C#CC(C)COCCC,1,GDB ChEMBL
254879,C#CC1=CC=C(CC)CC(C)CCC1,0,GDB ChEMBL
142563,C#Cc1nccc(C)occc1C#CC,0,GDB ChEMBL
85644,CC1=CC2CCOC1CNC2=O,0,GDB ChEMBL
234971,Cc1oc(C[NH3+])cc1C1(C(N)=O)CC(O)C1,0,GDB ChEMBL
27917,[NH3+]CCOCC12CC1NS(=O)(=O)CC2O,0,GDB ChEMBL
70095,CNc1nc(O)sc1NC(=O)CC(C)C[NH3+],0,GDB ChEMBL
95492,CCCC1(C#N)CCN1C(N)=[NH2+],0,GDB ChEMBL
338271,CC1(C)C2CCC1[NH2+]CC#CCOC2,0,GDB ChEMBL
252548,[NH3+]CC1COC2CNC(=O)C(O2)C(O)CN1,0,GDB ChEMBL
61804,CCc1c(OC)cc2c(c1F)C[NH2+]C2,0,GDB ChEMBL
218561,CC1CCCNc2c(F)cccc2C1,1,GDB ChEMBL
76753,CC#CC(CC)COCC[NH2+]C(C)CC,0,GDB ChEMBL
394299,COC1CC(C(C)(C[NH3+])CO)C2[NH2+]CCNC12,0,GDB ChEMBL
362017,N#CCC(O)CC1NC(=O)C(N)(CO)C1[NH3+],0,GDB ChEMBL
242632,CCCCC1(C2(C)CCC2)CC([NH3+])C1,0,GDB ChEMBL
263522,[NH3+]Cc1occnccnc1C1CC1CO,0,GDB ChEMBL
338104,CC1C(CC(N)=O)C(O)C2NC12,0,GDB ChEMBL
391293,N#CC1=CC2(O)COCCNC1C(=O)C2,0,GDB ChEMBL
133301,CC[NH2+]C(C=O)C(C)Cc1ccncn1,0,GDB ChEMBL
330016,C=CCC1C(CO)CNCC1[NH2+]C,0,GDB ChEMBL
80497,CC(C)(O)CC(OS(N)(=O)=O)C(=O)[O-],1,GDB ChEMBL
23654,NC(=O)CC1C(S(=O)(=O)[O-])N1CCO,0,GDB ChEMBL
40895,C#CC1Cc2ccc(Cl)c(Cl)c2C(C)C(C)C1,0,GDB ChEMBL
118168,CCC1C([NH2+]C)CNC(C(C)CO)CC1(C)O,0,GDB ChEMBL
209735,CCCC1=CC(C#N)(CC(C)C)CC1=O,0,GDB ChEMBL
274976,COC(C)C([NH3+])C(=O)[O-],1,GDB ChEMBL
189856,[NH3+]C1C2COC1C1CC(=O)NC21,0,GDB ChEMBL
337193,C[NH2+]C1(C)CCCCC1,1,GDB ChEMBL
148788,CCCC1C(C)OCC(C)(C)CC(C)C1(C)C,0,GDB ChEMBL
42558,CC1=CC2C(CCC2C2CCC[NH2+]CC2)C1,0,GDB ChEMBL
130191,CC([NH3+])C1CC1(O)C(O)COCCO,0,GDB ChEMBL
296363,CCNC(=O)NCc1cnn[nH]1,1,GDB ChEMBL
136447,[NH3+]CCC(=O)N1C2C3NC3C21,0,GDB ChEMBL
389589,COC1(C)C2CC[NH+](CC[NH2+]2)CCC12CC2,0,GDB ChEMBL
385979,CC(CC1=NCCO1)[NH+](C)C,1,GDB ChEMBL
196467,CCC(O)C1C2C(C)C[NH2+]C(C)C1(C)CC2C,0,GDB ChEMBL
264974,NC(=[NH2+])NC(CO)C1COC(=O)O1,0,GDB ChEMBL
156128,C[NH2+]C1CC2(N)C(C[NH+](C)C)C2C1CO,0,GDB ChEMBL
309831,CCC1CC([NH3+])C2NCCCC2C1(C)[NH+](C)C,0,GDB ChEMBL
115250,NC(=O)C1C2CC(O)C(CS(=O)(=O)[O-])N21,0,GDB ChEMBL
324073,CN=C1CC(O)COC(=O)N1,1,GDB ChEMBL
354576,CCCC(O)C1(C(C)=O)CCCC1C=NO,0,GDB ChEMBL
6108,O=C([O-])C1[NH2+]C2CC(C2)c2sccc21,0,GDB ChEMBL
95580,CCC(C)c1c(Br)cc(C(C)(C)C)c(C)c1Br,1,GDB ChEMBL
104388,CC#Cc1cnc(C(C)C)ccccs1,0,GDB ChEMBL
304159,CCCC1CC2CCCC(C)C2N1C(N)=[NH2+],0,GDB ChEMBL
287020,Nc1nc(C([NH3+])C(O)CCC[NH3+])sc1C(=O)[O-],0,GDB ChEMBL
386642,COCC(C)(C#N)CCC(N)=[NH2+],0,GDB ChEMBL
361020,[NH3+]C1(Cc2cc3c(c(=O)[nH]2)OCC3)CC1,0,GDB ChEMBL
144531,CCC#CCC1=CC[NH+](C)C(CC)C1,0,GDB ChEMBL
111559,CN1CC1CC(=O)NC(CO)C(N)=[NH2+],0,GDB ChEMBL
124131,C#CC(C)(O)c1nc(=O)cc(C(C)C)n1C,1,GDB ChEMBL
197245,C[NH2+]CCc1sc(CCCO)nc1N,0,GDB ChEMBL
165639,C[NH2+]C1CC2C(C)C[NH+](C)C2C1O,0,GDB ChEMBL
282235,CCC1[NH2+]CC(C)OC1(C)CO,1,GDB ChEMBL
47219,Cc1ccn2cnc(O)cc(N)ccc2c1N,0,GDB ChEMBL
184917,C=CC(CC)CCCCC1COC1,1,GDB ChEMBL
39948,O=C1NC2C[NH2+]C3(C2)C(CO)C13,0,GDB ChEMBL
19631,Cc1c(CS(N)(=O)=O)[nH][c-](CC#N)c1=O,0,GDB ChEMBL
277779,CC1C(O)CCC2CN=C(C2)N1C1C[NH2+]C1,0,GDB ChEMBL
398205,CCCNC(=[NH2+])C(N)(C(=O)[O-])C(C)C(N)=O,0,GDB ChEMBL
6063,CC(C)CCC(NCC[NH2+]CCO)C(=O)C#N,0,GDB ChEMBL
73265,[NH3+]C1CC2C([NH3+])CC(=O)OC2C1O,0,GDB ChEMBL
95948,CC1=[NH+]C(C)(CCCO)CN1CC#N,0,GDB ChEMBL
206959,CC(C)(C)C(C#N)NCC(N)=O,1,GDB ChEMBL
259528,CC1CCC2CC3(CCC[NH2+]3)CC2(C)[NH2+]1,0,GDB ChEMBL
4776,CC(C)CC(C)CC1=CCCCC1(C)C,1,GDB ChEMBL
136694,Cc1ccc2c(c1F)C1C3C2C(C)[NH2+]C13C,0,GDB ChEMBL
248631,CC(O)C1OC(=O)CNC1=N,1,GDB ChEMBL
96066,CC(O)C1CC1CC[NH+](C)C,0,GDB ChEMBL
170245,CC12C[NH+](C3CC3)C(C1O)C2C(N)=O,0,GDB ChEMBL
254844,CCC(C)C1C=C(C)C=CC(C)CC1C,0,GDB ChEMBL
365686,CCCCC1C(CC)CCCC2CCC1(C)C2,0,GDB ChEMBL
94664,CC1OC2CC2(Cc2cccn2C)C1C#N,0,GDB ChEMBL
38200,NC(=[NH2+])N(C=[NH2+])CC(N)C(O)C(N)=O,0,GDB ChEMBL
227943,Cc1n[nH]c(=O)c2c(Cl)c(Cl)c(CC#N)cc12,1,GDB ChEMBL
334730,N#CC1CNCC(C#N)C1CC=O,0,GDB ChEMBL
222774,COCC1(C(C)=O)C=CC[NH2+]C1,0,GDB ChEMBL
345694,CC([NH3+])C(C(C)O)C1CCN(C=O)CC[NH+]1C,0,GDB ChEMBL
243894,CC(=NCCCCC(F)(F)F)OS(N)(=O)=O,1,GDB ChEMBL
379375,CCC(C)CCC1OC1C(C)C,1,GDB ChEMBL
25155,CCCC(C)N(C)c1cccc2cc(N)oc12,1,GDB ChEMBL
92850,CC1CCN(C)c2n[nH]cc21,1,GDB ChEMBL
87677,[NH3+]C(C1COCO1)C1CNC(=O)O1,0,GDB ChEMBL
34169,C#CCCc1ncc(S(=O)(=O)NC(=N)N)s1,1,GDB ChEMBL
300192,CC(=O)CNC(CC(C)C)=[NH+]C(C)(C)C,0,GDB ChEMBL
28376,CC=C(C)C1CCC(C)C(CC)C1,1,GDB ChEMBL
34746,C[NH2+]CC(NC(N)=O)C(C)=O,1,GDB ChEMBL
305823,CC(=N)Nc1cc(C)nc(NC(=O)C=O)n1,1,GDB ChEMBL
186007,OCC1=CCCC=CCCC1,0,GDB ChEMBL
251036,C#CC(C)(C1CCCCCC1(C)C)C(F)(F)F,0,GDB ChEMBL
182539,CC(=N)N1C(=O)N(C)C(=O)C2CN(C=O)CC21,1,GDB ChEMBL
324018,O=C([O-])COCc1cn[nH]c1[O-],0,GDB ChEMBL
11387,CC1(C)C2C3[NH2+]CC21OC3CO,0,GDB ChEMBL
172753,CC(C)CCC1C(C)CC2[NH+]1CCC2(C)C,0,GDB ChEMBL
11258,CC1COCCN1C=[NH2+],0,GDB ChEMBL
115399,C=CCOCC(C(=C)C#N)C(=O)[O-],0,GDB ChEMBL
130626,CCCC1C(CN)[NH2+]C2(C)CCCC(C2)C1C,0,GDB ChEMBL
40460,CC1=CC23C[NH2+]CCC(C)C2C3C(O)C1,0,GDB ChEMBL
363230,Cc1cccc[nH]cc(N)c1,0,GDB ChEMBL
385618,CCC1(O)CCCC=CC1C,1,GDB ChEMBL
398928,CC1CC2CN3C(=O)C(C4C2C43)[NH+]1C,0,GDB ChEMBL
372776,Cc1[nH]nnc(=N)c1C[NH2+]CCO,0,GDB ChEMBL
124163,CCOC(Cc1ncno1)CC(C[NH3+])C(N)=O,0,GDB ChEMBL
249596,CCCC1CC(C(CC)C(C)C)C(C)(C)C1,0,GDB ChEMBL
113526,COCC1C2CC3CC=C4CC(C2C43)[NH+]1C,0,GDB ChEMBL
195219,C=C(C)C(CCCO)C1(C=O)CC1,0,GDB ChEMBL
381483,CNC(C#N)C(C#N)(C(N)=[NH2+])C(N)=O,0,GDB ChEMBL
184864,CCC1C(C)C([NH2+]C)CC1C(C)C#N,0,GDB ChEMBL
340540,CC1(C)C[NH2+]CCC1NC1(C#N)CC(O)C1,0,GDB ChEMBL
275581,CCOc1nc2c(O)ccc(N)c2[nH]1,1,GDB ChEMBL
305088,C#CC1CCC[NH+](CC)CC1(CC)OCCO,0,GDB ChEMBL
112606,CCNc1c(C(C)[NH3+])c(C)[nH]c(=O)c1C,0,GDB ChEMBL
376697,COC(=O)CCNC(=O)C1(S(N)(=O)=O)CO1,0,GDB ChEMBL
12770,CC1NC(=O)C(N)C2OC1C2NS(C)(=O)=O,0,GDB ChEMBL
383740,O=C([O-])C1CNS(=O)(=O)CC12CO2,0,GDB ChEMBL
33555,CCC[NH2+]C(CO)C(C#N)C1CC1,0,GDB ChEMBL
124153,Cc1nc(O)n(C2(C)C[NH2+]C(C(=O)[O-])C2)c1N,0,GDB ChEMBL
72007,Cc1c(C[NH2+]CC(=O)[O-])nn(C)c1C(C)C[NH3+],0,GDB ChEMBL
376687,O=C([O-])C1CN1Cc1cc([N+](=O)[O-])cs1,0,GDB ChEMBL
203442,CC#CC1(C)C(C=O)CN1CCCOCC,0,GDB ChEMBL
109168,C[NH2+]CCc1cc(I)cc(OC(=N)C[NH3+])c1C,0,GDB ChEMBL
18693,CC1CCC(C[NH3+])C2C3CCCOC3C[NH+]2C1,0,GDB ChEMBL
100729,CC(O)CC(C)CN1CC1C(O)C(=O)[O-],0,GDB ChEMBL
358479,COC(C[NH3+])C1NC(C(N)=O)C1(O)C#N,0,GDB ChEMBL
227580,CCC1CCC(C2CC=CC[NH2+]C2)C(C)O1,0,GDB ChEMBL
321806,CC(O)C(=O)OC(C(N)=O)C([NH3+])C(O)CO,0,GDB ChEMBL
334141,CC1OC2(C)COC(C)(C(=O)N(C)C)CC1C2,0,GDB ChEMBL
305783,CCC1C(C)=CC(C)CC(CO)CC1C,0,GDB ChEMBL
274840,CCC(=O)C(COC)c1c[nH]c(CN(C)C)n1,0,GDB ChEMBL
189815,CC(C)(C)C1CCC2COC1C2,1,GDB ChEMBL
151746,O=C([O-])CC1OCC23CC1[NH2+]C2C3,0,GDB ChEMBL
344400,CC(=O)CN1C(=O)CCC1(C)C,1,GDB ChEMBL
83034,CCc1cc(C=O)c(F)c(CC)c1C#N,1,GDB ChEMBL
312569,C[NH+]1CCC2(C1)C1C2C2(C)C=CC1(C)[NH2+]2,0,GDB ChEMBL
339222,CCC[NH2+]C1CC(C2(C)CC2)=CC1O,0,GDB ChEMBL
239361,CCCC(C)CC(C)(C)CNc1ccsc1,1,GDB ChEMBL
127028,Clc1ccc2c(c1)C1(C=CCC2)CCCC1,1,GDB ChEMBL
227298,COc1cc(C=O)cc([N+](=O)[O-])n1,1,GDB ChEMBL
185909,CC(C#N)(CNC(N)=O)NC(N)=O,1,GDB ChEMBL
1967,N=C1OC2C([NH3+])C1CC2C([NH3+])C(=O)[O-],0,GDB ChEMBL
156538,CCC1(C)C2CCCC(CCC1(C)[NH3+])C2,0,GDB ChEMBL
117357,CCn1c(F)cc(=O)[nH]c1=O,1,GDB ChEMBL
68492,CC1OCC(O)C1COS(N)(=O)=O,1,GDB ChEMBL
87012,CCC1CC2CC(C)CC(C)(C)C1C2,0,GDB ChEMBL
20765,N=c1cc(CNC(N)=[NH2+])c(CCO)nc(=O)[nH]1,0,GDB ChEMBL
38730,C[NH2+]CC1CC2C(C#N)N2C1C,0,GDB ChEMBL
305810,CC(C=O)Cc1cnccn1,1,GDB ChEMBL
22508,COC(=O)N1CC(O)(C(=O)C(=O)[O-])C1,1,GDB ChEMBL
171865,CCC1C(c2ccc(F)cc2)CCC12CC2,1,GDB ChEMBL
265292,N=C1NCC(N)C(C(N)=[NH2+])C(O)C(=O)N1,0,GDB ChEMBL
51409,CC#CCC1(CCCC(C)C)CCC[NH2+]1,0,GDB ChEMBL
22023,Clc1ccc2c(c1Cl)CC[NH2+]CCC2,0,GDB ChEMBL
132866,CCCOC1CCCCC2CC1(C)C2,0,GDB ChEMBL
60642,COC1C2C(O)C(=O)N3C(=O)NC(C23)C1(C)O,0,GDB ChEMBL
194489,C#CC1C2CCCC(C)C1[NH2+]C2,0,GDB ChEMBL
3767,C[NH2+]CC1CCc2c1cnc(N)c2N,0,GDB ChEMBL
302607,COCCn1nc(C(C)=N[O-])cc1OC,0,GDB ChEMBL
340004,CC1(CCC(O)C[NH3+])CO1,0,GDB ChEMBL
184253,C#CC1COC(C)C1(CC(C)C[NH2+]C)C(C)C,0,GDB ChEMBL
97737,NS(=O)(=O)C1OC(=O)NC2CC(=O)OC21,0,GDB ChEMBL
92326,Cc1ccc2c(F)ccc(C)c2c1F,1,GDB ChEMBL
288174,C[NH2+]CC1(O)CCC2COC1O2,0,GDB ChEMBL
296020,CC1=CC=CC=Cc2cc(c(Cl)cc2C)C=C1,1,GDB ChEMBL
1441,CC(CCC[NH3+])C1CCC(C[NH3+])C1,0,GDB ChEMBL
152595,CC(=O)NC1CC2(O)COC3C2C13[NH3+],0,GDB ChEMBL
129425,C#CC[NH+]1CCC=C2C(C)OC2(CO)C1,0,GDB ChEMBL
334045,C#CC(C#C)C(CO)C1(C)CCC(O)C1CC,0,GDB ChEMBL
241092,CC(OCCO)C(=O)C#CCO,1,GDB ChEMBL
353215,CCC1(CC(C)CN2CC2)CC1,1,GDB ChEMBL
263288,C#CC1(CCOC)CCC(C)C1,1,GDB ChEMBL
398912,CC(C)(NCC#N)C([NH3+])CO,1,GDB ChEMBL
120539,COC1C(O)C2CC1(C)C(C#N)CC2[NH3+],0,GDB ChEMBL
285725,C[NH2+]C1C2NC(=[NH2+])NC2C(C)(O)C1CC(N)=O,0,GDB ChEMBL
298255,CC1CC2c3cc(Br)ccc3CC1C1CC21,0,GDB ChEMBL
332386,CC(Cc1nn[nH]n1)C(O)C(O)CO,1,GDB ChEMBL
71686,C[NH2+]C(CCCO)CN1CC1,1,GDB ChEMBL
37268,CC1C([NH3+])CC2OC(=O)C(O2)C1CCO,0,GDB ChEMBL
129414,CC12CC(O)COC(C(O)C1C[NH3+])C2O,0,GDB ChEMBL
152623,O=C1CNCCC#CCO1,1,GDB ChEMBL
239140,CCC1c2c(ccc(C)c2Cl)C2CCC1(C)C2,0,GDB ChEMBL
380315,C#CCCC([NH3+])C(N)=O,1,GDB ChEMBL
59595,CN(C(N)=O)C1C2C(O)CC1(C)[NH2+]C2C(=O)[O-],0,GDB ChEMBL
216203,O=CNC(=O)C1CC(O)CCN1C=O,1,GDB ChEMBL
120402,CC(O)C(O)C(CS(N)(=O)=O)C(O)CO,0,GDB ChEMBL
391813,CCCCC(C)C1CC12CC(C)C[NH+]2C,0,GDB ChEMBL
354439,C#CC1(CC(C)(C)O)CCOC1CCC#N,0,GDB ChEMBL
53847,NC(=O)C12CC(=[NH2+])NCC1C2(O)C(=O)[O-],0,GDB ChEMBL
333110,CCc1ccc(C(C)C2CC2)cc1F,1,GDB ChEMBL
297299,CC1CC(C)C2(C)CC3(CC3)CC12C,1,GDB ChEMBL
185264,CCC1c2ccc(Br)cc2C2(CC2)C1C#N,1,GDB ChEMBL
228824,COCS(=O)(=O)NC(C(=O)[O-])C(C)OC,1,GDB ChEMBL
104489,[NH3+]CCN1CC(C(=O)[O-])NC1=O,1,GDB ChEMBL
48061,C#CC1c2ccc(Cl)cc2CC=C2CCC21,0,GDB ChEMBL
331755,CC1=CCC(CC(C)C)C1C[NH3+],0,GDB ChEMBL
134430,COC(=O)C1C2NC(C2=NO)C1O,0,GDB ChEMBL
367620,CC1NCCNCC(O)(C(N)=O)[C-](C#N)C1=O,0,GDB ChEMBL
215823,O=C([O-])C12C(=O)OC3C[NH2+]C1C2C3,0,GDB ChEMBL
259535,C#CCC(C)CN=C(C)OCCCC(C)=O,0,GDB ChEMBL
6037,CC1(C)OC(=O)NC1(C)C(N)=O,1,GDB ChEMBL
179134,C[NH2+]CCn1nc(COC)c2c1C(=N)NC2=O,0,GDB ChEMBL
90332,CCCNc1cc(=O)c(N)cs1,0,GDB ChEMBL
339252,O=C([O-])C1C(CO)OCC2NC(=O)C3C2N13,0,GDB ChEMBL
339224,CCn1c(O)c(C)c2c(C)cc(C#N)cc21,1,GDB ChEMBL
13762,CC1=CC(=O)C(C)(C)C(C)C1O,1,GDB ChEMBL
204368,N#CC12C(CC(N)=O)NCC1(O)C2O,0,GDB ChEMBL
251005,CCC(C#CC1C[NH2+]C1)[NH2+]Cc1ccco1,0,GDB ChEMBL
355186,C#CC[NH2+]C1(C(O)CC)CCCC1(C)C(C)C,0,GDB ChEMBL
184488,CC(O)C1C2CCC1C1C=CC=CC2C1C,0,GDB ChEMBL
161365,CC(C)CC([NH3+])C(C#N)(CO)C(N)C(C)O,0,GDB ChEMBL
385971,O=CNCc1cc(CO)cs1,1,GDB ChEMBL
33827,C#CC(OC)C(OCC(=O)OC)C(=O)[O-],0,GDB ChEMBL
269177,C#CC1CN(C)C(C([NH3+])CC)C1=C,0,GDB ChEMBL
361013,C#Cc1cccc2c1C(C(C)CCC)C(C)N2,0,GDB ChEMBL
386700,N#CC(NC=O)C(N)C(CO)OC(N)=[NH2+],0,GDB ChEMBL
152488,C=CC(C)(C(=C)CC)C1CCCC1,1,GDB ChEMBL
127776,CCC1C(C)C2CCOC(C2)C1OC,0,GDB ChEMBL
125586,NC1(CO)C23CNC(=O)C12NC(=O)O3,0,GDB ChEMBL
308284,CCCC(C(C)[NH2+]CCN)C(C)(C)CC(C)C,0,GDB ChEMBL
356532,[NH3+]C1CC(C(=O)[O-])OC1C1COC1,1,GDB ChEMBL
67359,CC(C)CC(C)Cc1c[nH]c2ccn(C)c12,1,GDB ChEMBL
81048,O=Cc1ccc2[nH]ccc2c1,1,GDB ChEMBL
380233,C[NH+]1CC2C(O)CCC2(C)C2(O)CC12,0,GDB ChEMBL
202843,C1CCC2(C1)OC2CCC1CC1,1,GDB ChEMBL
348468,CCCC(C)CCC(CC)(CO)[NH+]=C(C)NC,0,GDB ChEMBL
263155,COC1OC(=O)[C-](C#N)C1C(C)O,0,GDB ChEMBL
388463,CC1CC2C=CC(CCC[NH3+])(C1)O2,0,GDB ChEMBL
386696,CC1OC23C[NH+](C)CC2(CC[NH3+])C3C1[NH3+],0,GDB ChEMBL
180848,CCCCCCC(C)(C)C[NH+]1CCC1C,0,GDB ChEMBL
50967,NC(=O)C(NC=[NH2+])C1CC(O)C([NH3+])C1O,0,GDB ChEMBL
59191,CC12CC[NH2+]C3CCC(C3)C1N2C=O,0,GDB ChEMBL
312187,C#CC[NH2+]C1CCC2(C)C(OCC)=NCC2C1,0,GDB ChEMBL
343282,NC(=O)CN1C=[NH+]CC(C(=O)[O-])=CCC1,0,GDB ChEMBL
263284,OC12CCCC[NH2+]C3CC1C2C3,0,GDB ChEMBL
33173,CC(C)(C)[NH2+]C1C([NH3+])CC2OC(C[NH3+])CC21,0,GDB ChEMBL
221676,CN(C)C1C(=O)OC(=N)C(O)C1C(N)=O,0,GDB ChEMBL
124566,Cc1cc(N)c2cc(C(O)C[NH3+])cc(F)c2c1,0,GDB ChEMBL
203228,CS(=O)(=O)NC1C(O)CCC([NH3+])C(N)C1O,0,GDB ChEMBL
398882,NC(=[NH2+])NC1C(=O)NC(=O)COC1C=O,0,GDB ChEMBL
79563,NC1CC(S(N)(=O)=O)C(C[NH3+])OC1=O,0,GDB ChEMBL
304039,C#CC(Cc1cccc(CO)c1)[NH2+]C(C)(C)C,0,GDB ChEMBL
112610,Cc1csc(N(C)C2CN(C)C2)n1,1,GDB ChEMBL
258695,N#CC#CCC[NH2+]CCN1CC(O)C(O)C1,0,GDB ChEMBL
225236,O=C1C=Cc2cnccc21,1,GDB ChEMBL
235566,CCOC1(C)CCC(C)C(CCO)C1[NH3+],0,GDB ChEMBL
272527,C[NH2+]CCCC(C)n1cc2cc(Br)ccc2n1,0,GDB ChEMBL
264954,CC[NH2+]CC1C2CCOC1(C)CCCC2=O,0,GDB ChEMBL
305512,CC1CCCOC(CO)C(=NO)C(CO)[NH2+]1,0,GDB ChEMBL
124516,CC1CCc2ccc3c(c2C([NH3+])C1)C(C)CC3,0,GDB ChEMBL
75429,CC1C=CCCC(=O)N2CC([NH3+])(CC1)C2,0,GDB ChEMBL
375526,C[NH2+]C(C)(C)C(C)C(=O)C1CN1C(N)=[NH2+],0,GDB ChEMBL
193769,C[NH2+]CC1CC2(CN1)C(C)CCC2[NH3+],0,GDB ChEMBL
340412,CC(C)(O)CC#CC(N)(CC#N)C(=O)[O-],0,GDB ChEMBL
24504,CCOC1CC=CCC2CCC(C)=CC21C,0,GDB ChEMBL
45951,CCCCC1C2CC(C)N(CC2=O)C2CC12,0,GDB ChEMBL
157484,CN1C(=O)c2ncc(I)cc2CCCC1(C)C,1,GDB ChEMBL
356502,COCC1([NH3+])C(O)CC(C(C)C)N2CC21,0,GDB ChEMBL
387036,O=C([O-])CNC(=O)C1(O)C[NH2+]C1CCO,0,GDB ChEMBL
17593,NC(=O)c1ccn2nc(N)cc2c1Br,1,GDB ChEMBL
92300,CC([NH3+])C(C)C1C2CC(O)C1(CO)CO2,0,GDB ChEMBL
5327,CC(C=O)NC(N)=NC(C#N)C(C)C(=O)[O-],0,GDB ChEMBL
175522,Cc1cc(F)cc(C=O)c1C,1,GDB ChEMBL
34395,COCC(CC1C(C(C)C)CC2CC21)OC,0,GDB ChEMBL
197094,CCCC#Cc1cc(C)on1,1,GDB ChEMBL
352820,CC(O)C1C2CC(C)C(C)[NH+](C)CC21,0,GDB ChEMBL
243777,Cc1ccc(CCCCC2CC2)cc1F,1,GDB ChEMBL
21469,CCC12CCC(C)C(CC(C(F)(F)F)O1)C2C,0,GDB ChEMBL
47363,NC1(C[NH3+])CC(O)CCCCC2C[NH2+]C21,0,GDB ChEMBL
325853,O=CN1CCCC2CC=CCC2C(=O)C1=O,1,GDB ChEMBL
82193,CCC(C)(C)CC1CCC(CC(C)C)CC1C,0,GDB ChEMBL
9741,COC(C)C(C#N)C(N)=[NH2+],0,GDB ChEMBL
61284,CCC1(C(=O)NC)CC2CN21,0,GDB ChEMBL
76396,CC(=O)CN(CC(O)CO)CS(C)(=O)=O,1,GDB ChEMBL
337120,COC(CC(N)=[NH2+])C1[NH2+]CC(O)C1O,0,GDB ChEMBL
153709,C#CC1CC([NH3+])CCC(C)CC1OCC,0,GDB ChEMBL
225375,N#CC(N)C(C(N)=[NH2+])C(O)CNC(N)=O,0,GDB ChEMBL
325286,CCOCC12C(=O)CCN1C2C(C#N)CC,0,GDB ChEMBL
163403,CCCCc1cc(C(C)CC)cc(C#N)c1Cl,1,GDB ChEMBL
276150,CCC1C(C)CCC=CC2[NH2+]CCC2C1C,0,GDB ChEMBL
379233,CCCNC(=[NH2+])NC1(S(N)(=O)=O)CC(O)C1,0,GDB ChEMBL
248858,CC1COCCC1CC1[NH2+]CCC1N1CC1,0,GDB ChEMBL
215474,CN(C(=[NH2+])CNC=O)C(CO)CC(C)(C)[NH3+],0,GDB ChEMBL
342577,COCC1=CCC(C(=O)C(N)=O)C1(C)C,0,GDB ChEMBL
201111,COCC1CC([NH3+])C(O)C(O)C(=N)O1,0,GDB ChEMBL
133025,COC1(CC(O)CO)CNC(=N)C1=NO,0,GDB ChEMBL
307941,CC(O)[c-]1[nH]c(=O)cc1C([NH3+])C(=O)[O-],0,GDB ChEMBL
338955,CN(C)CC12[NH2+]C3CCCC3C1(C)C2O,0,GDB ChEMBL
21703,NC1=[NH+]CC(NS(=O)(=O)CC(=O)[O-])C1,0,GDB ChEMBL
336062,C#CCCC1CC(=O)NC1CC(C)C[NH3+],0,GDB ChEMBL
24059,CNC(=O)CS(=O)(=O)N1CC1C,1,GDB ChEMBL
23556,CC[NH+](C)CCNC1(C(N)=[NH2+])COC1,0,GDB ChEMBL
291505,CC1C=CCOC(=O)C1C=O,1,GDB ChEMBL
37154,C[NH2+]CC(C)(C)C1CCCC1CC[NH3+],0,GDB ChEMBL
81598,COC(C)C12CC[NH+](C)CC1N2C,0,GDB ChEMBL
138333,O=C([O-])CCC1CC2C[NH+]12,0,GDB ChEMBL
174225,C#CC1([NH2+]C)CCC1C(C)CCO,0,GDB ChEMBL
144533,CCCC1(C)CC1C1C=C(C)CC1OC,0,GDB ChEMBL
44959,O=C1CC2(O)CC(O)CC(O1)C(O)C2CO,0,GDB ChEMBL
48486,CC(C)N=C1CCC(=O)C=CCO1,1,GDB ChEMBL
228432,O=C([O-])C1CC2CC2[NH+]2CC2C1,0,GDB ChEMBL
207966,CC1C[NH2+]C(C)(C)CC2(C(F)(F)F)CCC1C2,0,GDB ChEMBL
172320,N#CC(O)(CC(O)CO)C(=O)[O-],0,GDB ChEMBL
184493,C#CC1c2c(Br)cccc2C2C=CCC12,0,GDB ChEMBL
116347,C#CC1=CCC(C)([NH+](C)C(C)C)C1,0,GDB ChEMBL
228801,C#CCCC1[NH+](CC)CC(C)C2CC21C,0,GDB ChEMBL
36026,CC1(C)CC2CC1C(C)(C)C1(C)CCCCC21,0,GDB ChEMBL
252897,CCNc1ccc(=O)n2nnc(OC)cc12,0,GDB ChEMBL
107814,CC(C)(O)CC(C[NH3+])CN1CC1,1,GDB ChEMBL
102138,CC[NH+]1CC2(C=CC(O)C2)N(C)CC1C,0,GDB ChEMBL
73860,CCC1C(=O)OC1C(C)O,1,GDB ChEMBL
302640,CCCCCCCC(C)(C)C1CCC(CC)C1,1,GDB ChEMBL
82183,CCC1CC2CC2COC1C,1,GDB ChEMBL
205752,CCC(C)C1OC2CCOC1C2[NH2+]C,0,GDB ChEMBL
179280,CC1C(O)C2C(=O)OC1C2OS(N)(=O)=O,0,GDB ChEMBL
122982,CCc1c(C#N)cc(C)c(C)c(C)c[nH]c1C,0,GDB ChEMBL
355158,C#CC(C(N)C[NH3+])C(C)C(C)O,0,GDB ChEMBL
197022,C#CCC1COC(C)CC(C)CCOC(C)C1,0,GDB ChEMBL
81637,NC(=[NH2+])NC(C(=O)[O-])C1(O)COC2C(O)C21,0,GDB ChEMBL
386506,CC#Cc1csc(C)c1C(C)O,1,GDB ChEMBL
265254,CC[NH2+]C1C(C)C1CC(C)C[NH3+],0,GDB ChEMBL
9903,COCC(COC)C(C)=NO,1,GDB ChEMBL
247592,CC#CC1[NH2+]CC1(CO)C(O)CC#N,0,GDB ChEMBL
386178,CCCC1C(C=O)C1C(F)(F)F,1,GDB ChEMBL
277673,[NH3+]CC(O)C1C([NH3+])CC1C(=O)[O-],0,GDB ChEMBL
271067,[NH3+]C1(CNC(=O)CO)CC(CO)C1,0,GDB ChEMBL
79322,CC(O)(CO)C(NC(N)=[NH2+])C(O)CO,0,GDB ChEMBL
40371,CC[NH+](C)Cc1c(C)[nH]c(=O)[nH]c1=O,0,GDB ChEMBL
276072,CC1CC2COCC(=O)N(C)CC(O1)C2C,0,GDB ChEMBL
284398,NC(=[NH2+])C1CNC(=O)NC(C(N)=O)C1N,0,GDB ChEMBL
109492,CC(C[NH3+])C1C(O)C(NC(N)=O)C1([NH3+])CO,0,GDB ChEMBL
283441,COC1CC#CC=CC(=O)CC(O)C1,1,GDB ChEMBL
207361,CC(C)(C)CCCCC1C[NH2+]C1,0,GDB ChEMBL
4797,CC(C)C1=CCCC2CC[NH+](CC2)C1,0,GDB ChEMBL
119435,C=C(CC(C)CC)C1CC(CO)C1,1,GDB ChEMBL
184478,COC1C(C)N2C(=O)NCC12,0,GDB ChEMBL
283238,CC(NC(N)=[NH2+])C1C([NH3+])CC(OC(N)=O)C1O,0,GDB ChEMBL
62800,O=C1CCCC2OC(C1)C(=O)NC1CC2C1,0,GDB ChEMBL
71469,CNC(=O)c1cc(O)c(N)n1C,0,GDB ChEMBL
202482,CC([NH3+])C1OC(=O)C1C(NC=O)C(N)=O,0,GDB ChEMBL
247556,CC(=O)C1N(C)CC1(O)CO,0,GDB ChEMBL
17059,CNc1nc(Br)c2c(c1CO)CCO2,1,GDB ChEMBL
305954,C#CCNC(=O)C(O)C=O,1,GDB ChEMBL
171907,CCCC1[NH+]=CNC1CC(C)OCC([NH3+])CC,0,GDB ChEMBL
369334,CC(O)(C#N)C1COCC(O)C([NH3+])C1,0,GDB ChEMBL
85018,C[NH2+]CC1(C)C2CC(O)C1CC2C,0,GDB ChEMBL
372198,O=C1NC2C(O)C[NH+]3C(C(=O)[O-])C(CO1)C23,0,GDB ChEMBL
18795,CCCC1C2(OC)CC(C(=O)C2O)C12CO2,0,GDB ChEMBL
386652,CC1C=CCC1CC[NH+](C)C,0,GDB ChEMBL
144564,CC[NH2+]C1CC12OC(C)CC([NH2+]C)C2O,0,GDB ChEMBL
186696,CCCC(C)([NH3+])CN(C)C=[NH+]CC(C)[NH3+],0,GDB ChEMBL
384241,OCC(O)CCc1ncon1,1,GDB ChEMBL
50061,CC12OC1C(O)C(O)(C(=O)[O-])C2NC(N)=[NH2+],0,GDB ChEMBL
181355,[NH3+]CCn1cc(C(=O)NC=O)nc1O,0,GDB ChEMBL
54058,CC1C(CC(N)=O)C2OC1C2O,0,GDB ChEMBL
10564,CC[NH2+]CCCC1CC(C)(C)C=C1C(C)=O,0,GDB ChEMBL
126396,C#CCC(CC)CC(C)C[NH2+]CCC([NH3+])CC,0,GDB ChEMBL
194389,Cn1c(O)c(N)c2cncc(CO)c21,0,GDB ChEMBL
304121,[NH3+]CCCC([NH3+])(CC(=O)[O-])C1(O)CCC1,0,GDB ChEMBL
173883,CC1CC2(C)C=CC[NH+]1CCCC2,0,GDB ChEMBL
106595,C#Cc1c(Cl)ccc(C(CC)CCC)c1C,1,GDB ChEMBL
179278,C#CC(CC)([NH2+]CC)c1ccc(O)cc1,0,GDB ChEMBL
294188,OCC[NH+]1CCCC1CO,1,GDB ChEMBL
136063,CCC(C)C1NC(C)=C(C=O)C1O,0,GDB ChEMBL
23453,CC(C#N)C1C(C[NH3+])C(O)C(C)NS1(=O)=O,0,GDB ChEMBL
297055,CC1CCC2(C)CC=CC12,1,GDB ChEMBL
278162,CC(=O)NC1C2NC(=[NH2+])NC21C(=O)[O-],0,GDB ChEMBL
353974,CC1(C(CNC(N)=[NH2+])C(=O)[O-])CC(=O)N1,0,GDB ChEMBL
75432,CC#Cc1ccc2c(c1CO)CCC21CC1,1,GDB ChEMBL
87140,CC1OCC2(O)CC([NH3+])C(O)CC12,0,GDB ChEMBL
348600,CCC1CC=CC(C)C=CCCC(C)C1,1,GDB ChEMBL
227758,CCCC12CC3CCCCC3C(CC1C)C2,0,GDB ChEMBL
369875,CCC(C)(CO)CCC(C)[NH3+],0,GDB ChEMBL
292966,O=C1CN2C(=O)COCC3CC32CN1,1,GDB ChEMBL
383764,CC(=O)NC(C=O)(C=O)CC1CC[NH2+]1,0,GDB ChEMBL
235896,CCCC(C)([NH3+])C(C)CC(C)C(C)(C)C,0,GDB ChEMBL
201048,CC1=CC=CCCC=C(C)CC=C1,0,GDB ChEMBL
353597,CC1=CC2C3CC(O)C[NH+]2CC13,0,GDB ChEMBL
372643,CCCC1c2ccc(Cl)c3c2C2C(C3)C12,1,GDB ChEMBL
174882,CC1OC(CO)C([NH3+])C(CO)C1C#N,0,GDB ChEMBL
288692,CC1CC([NH3+])CN1c1ccc(=O)n(C)n1,0,GDB ChEMBL
336058,CCC1C2CC=CC1C(OC(C)(C)C)C2,0,GDB ChEMBL
380612,CC(C)C(C)Cc1cocc1C(=O)CCO,1,GDB ChEMBL
181380,CCC(C)(CC)CCCC(C)C1CC1C,1,GDB ChEMBL
319802,COC1C(=O)NC=CCC1OCCO,0,GDB ChEMBL
108681,Cc1ccncc1C1(C2CCC2)CC1,1,GDB ChEMBL
160336,CC#Cc1nc2ccccc2c(I)c1N,1,GDB ChEMBL
382086,CN1CC2(OC2CO)C([NH3+])CNC1=O,0,GDB ChEMBL
309176,C#CC(N)=[NH+]CCCC,0,GDB ChEMBL
281043,CC1OC(CO)C([NH+](C)C)C2CC(=O)C(=O)C12,0,GDB ChEMBL
304648,COc1nc(NC=O)cc(N)c1Cl,1,GDB ChEMBL
225349,CC1=CCC(C)(C)CC(C(C)(C)C)C1,1,GDB ChEMBL
336639,C#CC1NC2C(=O)NC1C2C[NH3+],0,GDB ChEMBL
90279,CC(=O)CC#Cc1coc2ccc(F)cc12,1,GDB ChEMBL
133309,CNc1c(C)cc(I)c(COC)c1CO,1,GDB ChEMBL
375452,COC(C)C1N=C2C(C1O)C1COC(=O)N21,0,GDB ChEMBL
29196,CCC1CCC(C)C2=CC(C)(CC2)O1,0,GDB ChEMBL
197075,CC1[NH2+]CCCC1(C)NCC#N,0,GDB ChEMBL
352677,CC1CC2CCCCC2C1CC(F)(F)F,1,GDB ChEMBL
262344,CC[NH+]1CC(C)CC#CC2CC1C2,0,GDB ChEMBL
81147,CCC(O)C1C(C)C(OC)C2OC21,1,GDB ChEMBL
77017,CCCOC1CCCCC=C(C#N)C1,1,GDB ChEMBL
172775,N#CC(O)(CCNC(=O)c1cnco1)C(N)=O,1,GDB ChEMBL
99853,O=Cc1oncc1CCC(=O)[O-],1,GDB ChEMBL
222599,CNc1nc(OC)c2ccoc2n1,1,GDB ChEMBL
333054,CN(CC(=O)NC(=N)N)c1ncnc(=N)[nH]1,1,GDB ChEMBL
334466,CCCC1C#CCCCC(C)(C)C=C1C,0,GDB ChEMBL
61757,CC1CC12C(=O)NCCC(C[NH3+])N2C,0,GDB ChEMBL
276039,CC1=CC2(CCC2)OCC(=O)N(C)C1C,1,GDB ChEMBL
89679,C=C(CCO)C(O)CCOCCC,1,GDB ChEMBL
280884,CC(=O)C1CC2C(C[NH2+]C3CC3)C2C1,0,GDB ChEMBL
333895,CC(=O)OC1OCC(O)C1NCC#N,1,GDB ChEMBL
83537,[NH3+]C1CC2CC=CC1C2(O)CC(=O)[O-],0,GDB ChEMBL
260149,CC1=C(NC(N)=[NH2+])C(=O)N(C(C)C#N)C1,0,GDB ChEMBL
182495,C#CC1OC(=O)CC1c1ncccc1F,0,GDB ChEMBL
332402,CCC[NH2+]C(CNCC)C1(O)CC1(C)C,0,GDB ChEMBL
297249,Cc1cnc(F)c(C(C)(C)C)c1,1,GDB ChEMBL
288953,NC(=[NH2+])NC(C(=O)C(=O)[O-])C1C(O)C1O,0,GDB ChEMBL
319168,CCc1cc(Br)c(Br)c2sc(C#N)cc12,1,GDB ChEMBL
251430,CC1=[NH+]C(C#N)(CS(C)(=O)=O)CCN1C,0,GDB ChEMBL
298911,C=C(CC)C(C)C[NH+](C)CC#CC,1,GDB ChEMBL
277431,CC12OC(=O)C(O)CC1C(NS(C)(=O)=O)C2[NH3+],0,GDB ChEMBL
352859,CC12CC(NCCO1)C([NH3+])C2CC(N)=O,0,GDB ChEMBL
124232,CC[NH+]1CC(N)C2(C[NH2+]C)CC1C2O,0,GDB ChEMBL
68661,NC(=O)CN1C(=O)C(N)C1CO,1,GDB ChEMBL
292739,CCC1CC(C)CC2CC([NH2+]C)CCC2C1C,0,GDB ChEMBL
312567,C[NH2+]CCC(O)CC[NH2+]C,0,GDB ChEMBL
89331,Cc1c[nH]c(C2CC2)c1C#N,1,GDB ChEMBL
184119,C#CCC(C)=Cc1cccc(Cl)c1,1,GDB ChEMBL
34775,CC1CCC2CC2C=C1c1ccccc1Cl,0,GDB ChEMBL
215389,O=C1NC2Cc3cccnc3C1C2,0,GDB ChEMBL
169480,CC1(CCO)C2CC(CCO)C1CC2O,0,GDB ChEMBL
151069,[NH3+]C1CC(=O)NC2C(O)C2(O)CC1O,0,GDB ChEMBL
215267,CCCC1CCC(C)=CCC(CC)C1,0,GDB ChEMBL
324311,[NH3+]C1CC2OCC3NC(=O)C1C32,0,GDB ChEMBL
148928,COC1CC=CC=CC=C1CC(C)C,0,GDB ChEMBL
73831,CC[NH2+]C(C)(C)C1(C#N)COC(=O)C(=O)[N-]1,0,GDB ChEMBL
109543,CC1CC1C1CC2C[NH2+]CCOC1C2,0,GDB ChEMBL
367786,Cc1ccc(C)cc(C)cc(C(C)C)cc1,0,GDB ChEMBL
6495,Cc1cc2c(c(Cl)c1C)C(C)C(C)C2C,1,GDB ChEMBL
284384,O=C1C[NH+](C2CC(O)C2)CCCN1,0,GDB ChEMBL
40313,COC(C)(CO)C(O)C(C)C(C)n1ccnn1,0,GDB ChEMBL
131639,C[NH2+]C(C)CC(C)CC1OC1(C)C(C)C,0,GDB ChEMBL
29791,C#CC1CC1(CC(=O)OC)C(C)C,1,GDB ChEMBL
354873,CCC1(C)CC(C)(C)CC1(C)CC1CCCC1,0,GDB ChEMBL
302313,CCC(C)C1(OC)C(=O)N(C)CC1[NH3+],0,GDB ChEMBL
330790,CC1(C)CC([NH3+])C1(C)Cc1ccc(F)cc1,0,GDB ChEMBL
352683,COC(=O)C1CN=COC1CCS(N)(=O)=O,0,GDB ChEMBL
87048,O=C1CNC(=O)C2OC2C(O)C(=O)N1,1,GDB ChEMBL
173190,CC(C)C(C(C)C)C(C)(C)C1CC(C)C(C)C1,0,GDB ChEMBL
254250,COC12C(O)C1CN(C(N)=[NH2+])C2C#N,0,GDB ChEMBL
309824,[NH3+]CC(OCC1CO1)C(=O)[O-],1,GDB ChEMBL
112847,[NH3+]C1CCNC2=CC(=O)[N-]S(=O)(=O)C21,0,GDB ChEMBL
286131,CNC(=O)N1C=CS(=O)(=O)NC(COC)C1,1,GDB ChEMBL
34224,CC#CCCC(=O)CC(C)CCC,1,GDB ChEMBL
300099,CC(O)C1CC2CN1CC(C#N)(C#N)N2,0,GDB ChEMBL
289839,CC(C)CC(NCC([NH3+])CO)C1(N)C[NH2+]C1,0,GDB ChEMBL
180861,NC(=O)C1CC2C3OC(=[NH2+])NCC23N1,0,GDB ChEMBL
23916,COC(=O)NC1(Cc2ccco2)CS(=O)(=O)C1,1,GDB ChEMBL
79294,CCC1(C)CC=CC1C(C)CCC(C)C,0,GDB ChEMBL
70284,Cc1cc(Br)c(N(C)C=O)nc1C1(C)CC1,1,GDB ChEMBL
79526,[NH3+]C1CC2(C(=O)[O-])OCC(O)C1O2,0,GDB ChEMBL
56622,CC[NH2+]C1C(CNC(N)=O)CCC1(C)C,0,GDB ChEMBL
361178,CC(C)C1CC=CCCC(C)(C)C1,0,GDB ChEMBL
121504,COC1C(O)C2OC1C(CS(N)(=O)=O)C2O,0,GDB ChEMBL
267916,CC1CCC(C)([NH2+]CCC[NH3+])C1C1CCCC1,0,GDB ChEMBL
171870,CCn1c(N)[nH+]c(N)c1NC,0,GDB ChEMBL
277968,CNC(=O)C1(C)C(N)=[NH+]C(C)CC(O)C1C,0,GDB ChEMBL
125633,COC(C(N)C[NH3+])C(C)(O)CNC=O,0,GDB ChEMBL
386175,CCC1CC2C(C)CC(C)(CC)C2C1,0,GDB ChEMBL
247231,CS(=O)(=O)NCCC(=O)NC(N)=O,1,GDB ChEMBL
282009,C[NH2+]C1C(O)C2C([NH3+])C(=O)NC12CCO,0,GDB ChEMBL
16775,CC1(C(=O)[O-])OC2CC1C(=O)C2[NH2+]CCCO,0,GDB ChEMBL
203739,CC1C2CC=CCCCCC12[NH+](C)C,0,GDB ChEMBL
369342,CC1(C[NH3+])CC2OC2C(=O)O1,0,GDB ChEMBL
38774,NC(=O)c1cn[nH]c1CCOC=O,1,GDB ChEMBL
255968,C[NH2+]CC(O)C(=O)C1CC1C,0,GDB ChEMBL
76737,CC1OC(=O)C(NC(N)=[NH2+])=CC1[NH3+],0,GDB ChEMBL
262578,CN1C(=O)OC2C([NH3+])CC(C1=O)C2NC(N)=O,0,GDB ChEMBL
147386,Cc1ncc(I)cc1NCC#CC(C)(C)C,1,GDB ChEMBL
225081,C[NH2+]CC(C)NS(=O)(=O)CC(=N)OCC#N,0,GDB ChEMBL
263298,O=S1(=O)Cc2cccc(Cl)c2CN1,1,GDB ChEMBL
240764,C=CC(C(=O)[O-])C1OC2CC2C1O,0,GDB ChEMBL
205749,CCC1C2CC1(NCC[NH3+])C(=O)N2,0,GDB ChEMBL
383033,CN=C(NCCC#N)C(=O)CO,1,GDB ChEMBL
165971,CCC12CCC(C#N)C(CC1C(C)C)C2OC,0,GDB ChEMBL
358537,CN1CC(n2cncn2)C1,1,GDB ChEMBL
89100,CN1C2C(O)C(O)(C[NH3+])C(CC(=O)[O-])C21C,0,GDB ChEMBL
79592,NC(=O)CC1N=C(NC=O)C(N)C1O,0,GDB ChEMBL
55566,CN1CC(C(N)=[NH2+])NC(=O)C(=NO)CC1=O,0,GDB ChEMBL
209489,Cc1cnc2n1CC=CCO2,1,GDB ChEMBL
230412,COC(=O)NC1(C(=O)OC)CC(O)C(O)C1O,1,GDB ChEMBL
61813,Cc1csc(C2(N)CC2C[NH3+])n1,0,GDB ChEMBL
255395,CCC1C[NH+](C)CC=C1C1CO1,0,GDB ChEMBL
43923,C#CC1(CCCCC)CC=CC1C(C)O,0,GDB ChEMBL
273421,CC[NH2+]CC1C(OC(N)=O)C2(C)CC(C)N1C2,0,GDB ChEMBL
260121,C[NH+]1CCC2([NH3+])C3CCC(O3)C2C1,0,GDB ChEMBL
38718,C#CC[NH2+]CCC(C)([NH3+])CC#C,0,GDB ChEMBL
288134,CC([NH3+])C(C)(C[NH3+])CC#N,0,GDB ChEMBL
368156,N#CC1CCC(=[NH2+])N1CC=O,0,GDB ChEMBL
190238,C#CC1CCCC(C)CC1C(CCC)CCC,0,GDB ChEMBL
218339,CCC(NC=O)C(C#N)C(C)[NH3+],0,GDB ChEMBL
133329,C#CC1CC[NH2+]CCC(C)C1(C)CC(C)[NH2+]C,0,GDB ChEMBL
112549,CC(C)C=C1C2C[NH2+]C(C2)C1CO,0,GDB ChEMBL
358524,CC1CC2CC=CC2c2cc(F)ccc21,1,GDB ChEMBL
247539,[NH3+]C1C(O)CN2C(=O)NC3C1C32,0,GDB ChEMBL
153703,N#CC1=CC(C(N)=O)=CCOC1=O,1,GDB ChEMBL
244356,CCCc1cc2c(cn1)CCC=C2C,1,GDB ChEMBL
352186,C#CC(C#CC1CCCC1)C(=O)NC1CC1,0,GDB ChEMBL
170420,CC1CC2CC(CO1)CC(C(C)C)C2C,0,GDB ChEMBL
6872,CNc1coc(N=C(N)NC(=O)COC)n1,0,GDB ChEMBL
203833,CCC[NH2+]C(C)Cc1cc(=NC)scc1NC,0,GDB ChEMBL
203250,CCCN(CC[NH2+]C)C(=O)C(C[NH2+]C)=N[O-],0,GDB ChEMBL
244455,C#CC(C)CCOCC1CCCC1,1,GDB ChEMBL
206800,CCC(C)CC12CC=CC(CC1)OC2C,0,GDB ChEMBL
249559,CNC(=O)c1nc(NC(=O)CO)n[n-]1,0,GDB ChEMBL
189818,CN1CC2(O)C(=O)OCC2S1(=O)=O,0,GDB ChEMBL
228901,C#CC(CC(C)CC)CC(C)C(C)(C)C[NH3+],0,GDB ChEMBL
359112,OCC1C[NH+]2CCC(C2)N1,0,GDB ChEMBL
157711,CC1C[NH2+]C2CCCC1C1CC(C2)CC1(C)C,0,GDB ChEMBL
259389,[NH3+]C1C23CCC1(O2)C1C(C(=O)[O-])C13,0,GDB ChEMBL
200757,N#Cc1cnc(NC=O)nc1O,1,GDB ChEMBL
338846,CC1OCCCCCC2C[NH2+]C(CC2O)C1C,0,GDB ChEMBL
147946,NC(=[NH2+])C(C[NH3+])(C(=O)[O-])C1CO1,0,GDB ChEMBL
247563,CN(CC[NH3+])C(=O)OCC([NH3+])C(N)=O,0,GDB ChEMBL
94625,C#CC(C1CCC2(C)COC1C2)[NH+]1CCCC1,0,GDB ChEMBL
244292,C[NH2+]C1CCC(C)C1C(=O)CNC=O,0,GDB ChEMBL
311012,CCC(C([NH3+])C(=O)[O-])S(=O)(=O)NC,0,GDB ChEMBL
322875,CC1C(C(O)CNC(N)=[NH2+])N1C=O,0,GDB ChEMBL
284660,Cc1nocc1C#CCCOS(N)(=O)=O,1,GDB ChEMBL
184301,CC(C)[NH+]=C(N)OCC[NH3+],0,GDB ChEMBL
61966,CCCC1CCCCCC(C)c2noc(n2)C1,0,GDB ChEMBL
344245,CC1COCCC2C[NH+](C)C12,0,GDB ChEMBL
340470,CC1C2C=CC=Cc3ccc(F)c(c3)C1C2,0,GDB ChEMBL
208340,CC(CCC(N)=[NH+]CCOCC1CC1)=NO,0,GDB ChEMBL
304153,CC1CC([NH3+])C2CCC[NH+]1C2,0,GDB ChEMBL
372126,CCC(=[NH2+])NC(C)=NCC(CO)CC#N,0,GDB ChEMBL
370289,CCCC1CC2(CCC2)CC(C)C1C(C)C,0,GDB ChEMBL
179999,CN1CC2C(=O)N(C)C3CC23C1C#N,0,GDB ChEMBL
247570,CC(O)C(CC=O)CNC(N)=[NH2+],0,GDB ChEMBL
119950,CCC1(C(=O)C2COC2)CC1,1,GDB ChEMBL
195309,C[NH2+]CC1(O)CCC([NH3+])(CCCC(C)C)CC1,0,GDB ChEMBL
263397,C[NH2+]CC#CC(CO)C(C)C,0,GDB ChEMBL
204339,CN1CC([NH3+])C2C(NS(C)(=O)=O)C21,0,GDB ChEMBL
106007,CNC1=[NH+]CCC(O)C(O)C(C(=O)[O-])N1,0,GDB ChEMBL
105080,C#CC1CC(C)(C)[NH2+]C1C,0,GDB ChEMBL
295885,CC1CC1C1C2CCCC[NH2+]CC21,0,GDB ChEMBL
18644,CC(CCCCO)C(=O)C#CCOCC#N,0,GDB ChEMBL
38528,CC(C1CCCOC1)C(C[NH3+])C1CN1,0,GDB ChEMBL
206826,C#CC1C(=O)C(=O)CCc2c(O)cc(Cl)cc21,0,GDB ChEMBL
51870,CC(C[NH3+])C1OC(C)C([NH3+])C1C,0,GDB ChEMBL
6865,CC1CC1OC(=O)C(N)C#N,1,GDB ChEMBL
31045,O=C([O-])C1C2C3CC=CCC3C[NH+]12,0,GDB ChEMBL
150123,CC1NC(C#N)C(N(C)CCC(N)=[NH2+])CC1O,0,GDB ChEMBL
169438,CC1OC(C([NH+]=C(N)N)C(N)=O)C(O)CC1[NH3+],0,GDB ChEMBL
109556,CN1CCC[NH+]=C(N)OC(C#N)C(=O)C1,0,GDB ChEMBL
225393,O=Cc1nccc(F)c1C=CCO,1,GDB ChEMBL
299209,CC1C([NH3+])CC2CC1C(=O)O2,0,GDB ChEMBL
251467,COc1nn(C(C)=O)c2[nH]ncc12,1,GDB ChEMBL
345706,CCN1CC(C(=O)OC)[NH+]=C1C(C)CCC[NH3+],0,GDB ChEMBL
310794,CC[NH2+]CC1C=CC(C2CC2C)C1=O,0,GDB ChEMBL
85843,CC(C)C1CC2(C)CCCCC2C2CCC12,0,GDB ChEMBL
151715,C[NH+]1CCCC2C[NH2+]C2C(N)C1,0,GDB ChEMBL
291920,CCC12CC([NH3+])C(C1)C(CO)C2C(C)O,0,GDB ChEMBL
74294,CCC1C2CCCCC12[NH2+]C(C)C,0,GDB ChEMBL
214744,N=C1CC2(CN(C(N)=O)C2)CN1C(=O)C[NH3+],0,GDB ChEMBL
331152,CC(=O)Nc1nc(C)oc1C1(C)CC1C[NH3+],0,GDB ChEMBL
363003,C[NH2+]C(C(=O)[O-])C12OC1C([NH3+])CC2N,0,GDB ChEMBL
135392,C#CCC([NH2+]C1COC1)c1sc(C)cc1C,0,GDB ChEMBL
89075,CCC(C#N)N1C2COCC21CO,0,GDB ChEMBL
1485,C#CCC(C)Cc1conc1CC#N,0,GDB ChEMBL
29021,O=C1NC2C[NH2+]C3C(O)C1C(=O)C23,0,GDB ChEMBL
286859,COCC1(C2CC2)NC1(C)C#N,0,GDB ChEMBL
280625,CNC(=O)C1C[NH2+]C1C(O)C1OC1C,1,GDB ChEMBL
279284,NC1C(=O)OC(C(=O)[O-])C(CO)C1[NH3+],0,GDB ChEMBL
354565,CCCC1C=CC2C(C)CCCCC12,0,GDB ChEMBL
150113,C[NH2+]C1CCCC(CC(C)C)C(C)C1=O,0,GDB ChEMBL
127169,NC(=O)NCC1CC=CC1C[NH3+],0,GDB ChEMBL
309677,CCOC(=O)C(C#CC(N)C(N)=[NH2+])C[NH3+],0,GDB ChEMBL
21574,C[NH2+]CCC1OC(CS(=O)(=O)[O-])=NC1CO,0,GDB ChEMBL
48517,CCCC([NH2+]C)C1CC2CC=C(C)C1C2C,0,GDB ChEMBL
396138,C#CC1CCC[NH2+]CC=CC1(C)CO,0,GDB ChEMBL
221094,CCCC1C2CC(CC2C)C1(OC)C(F)(F)F,0,GDB ChEMBL
70322,CCC[NH2+]CC(C)Oc1ncc(I)nc1C#N,0,GDB ChEMBL
259542,CC(C)C1C(C)CCC2(C)C(C)CC([NH3+])C12,0,GDB ChEMBL
271538,CC1CC#CC=CCCCCCCC1,1,GDB ChEMBL
274910,C[NH+]=c1nc(C2([NH2+]C(C)C)CC2)cc[nH]1,0,GDB ChEMBL
84275,CCN(C=[NH2+])C1CC1Oc1cncc(N)c1,0,GDB ChEMBL
175698,C=C1C2C(OC(C)C2O)C(=O)N1C,0,GDB ChEMBL
23662,CC(CO)([NH+]1CC=CC1)C1(C[NH3+])CC=CC1,0,GDB ChEMBL
263529,C[NH2+]C1C(=O)CC2(C)OC12,0,GDB ChEMBL
244654,CCOCCC1(OCC)COC(=N)C1C[NH2+]C,0,GDB ChEMBL
289418,C#CCCCC(C)(C)C[NH+]1CCCC1,0,GDB ChEMBL
148529,C#CCC(C)c1cccc(CCCCC)c1C,1,GDB ChEMBL
48164,CCC([NH3+])C1CC(C)C2CC1C(C)(C)C2,0,GDB ChEMBL
118854,CC(CCO)N(CC#N)CC1CC(C)(O)CO1,1,GDB ChEMBL
379230,[NH3+]C1CCC(=O)OCOCC(O)C1,1,GDB ChEMBL
162521,C[NH+](C)CC1C2C(CO)C3CC3C12,0,GDB ChEMBL
96098,Cc1cc(CNC(=O)CN2CC2)n[nH]1,1,GDB ChEMBL
24477,CC1CCC23c4c(Cl)cccc4CC2C13,0,GDB ChEMBL
125572,C#CC(CC1C[NH+]=C(C[NH3+])NC1C(=O)[O-])OC,0,GDB ChEMBL
170457,CC1OCC[NH2+]C(C(C)C2CC2)C1O,0,GDB ChEMBL
263987,CCC(C[NH+]=C(N)N)CC(=O)C1CC[NH+]=CN1,0,GDB ChEMBL
173166,CC12CC(O)C(C1)C([NH3+])(C1CCC[NH2+]1)C2,0,GDB ChEMBL
193257,CCC1=CC(C)C[NH+](CC)CCC(C)C1,0,GDB ChEMBL
61967,CCCc1cc(O)c(N)c2c1C(C)CC2=O,1,GDB ChEMBL
208374,CCC1COC(C)C[NH+](C)CC2CC12,0,GDB ChEMBL
117417,C=CC1(C)OC(C)C(C)(C)C1C[NH3+],0,GDB ChEMBL
386484,Cn1c(=O)ncc2c(Cl)c(C3CC3)ncc21,0,GDB ChEMBL
334778,C#Cc1c(I)ccc(CC)c1C(C)CCC,1,GDB ChEMBL
367790,CCc1ccc(OC2C=CCC2)c(NC)c1,1,GDB ChEMBL
177317,Cc1ncsc1NCCCC[NH3+],1,GDB ChEMBL
208264,CC[NH2+]CCC(O)c1c(F)scnc1=O,0,GDB ChEMBL
144588,CC1=CC[NH2+]CCNC(=O)COC1=N,0,GDB ChEMBL
208612,CCC(CC)C([NH3+])C1(COC)CN1C,0,GDB ChEMBL
256031,C#CCCCC1CC2(CCCCCC2)[NH2+]C1C,0,GDB ChEMBL
260187,C[NH+](C)C(C=O)CCn1ccnn1,1,GDB ChEMBL
217063,CC1C2CC(NC(N)=[NH2+])CC1C(CCCO)[NH2+]2,0,GDB ChEMBL
217064,CC(CO)C(C#Cc1ncccc1F)C[NH3+],0,GDB ChEMBL
366740,CN(C)C(CC#N)C(O)C=O,1,GDB ChEMBL
289820,CCC12CC(C)C(C)CC1[NH2+]CC2CC(C)C,0,GDB ChEMBL
118857,CC1c2ccc(Br)cc2CC(=O)C2CC1C2,0,GDB ChEMBL
121746,COCC(=O)OC1COC(=O)C1,1,GDB ChEMBL
21860,Cc1nnc2n1-c1cc(Cl)ccc1CN2,1,GDB ChEMBL
118111,Cc1ccc(CC(C)C)c2c(Br)c(O)ccc12,1,GDB ChEMBL
9788,C[NH2+]C(C)CCC1=CCCC(=O)OC1(C)C,0,GDB ChEMBL
305966,CC1(NC(N)=[NH2+])C[NH+]=C(N)OCC1O,0,GDB ChEMBL
203102,NC(=O)C1NC1CC(O)C([NH3+])CO,0,GDB ChEMBL
19374,CNC1(CO)C([NH3+])CC(O)C1NC(N)=[NH2+],0,GDB ChEMBL
299719,C#CC1CCC2(CCCC)CCC1(O)C2,0,GDB ChEMBL
130225,Cc1c(Br)cc(Br)cc1C#CC(N)=O,1,GDB ChEMBL
18848,CCCOC(C#N)C(C)C,1,GDB ChEMBL
377983,O=C(c1cc(CO)ncc1[O-])n1cccn1,0,GDB ChEMBL
365747,CC(C)OCC1=CN(CCCO)CC1=NO,0,GDB ChEMBL
167303,COC1CC2CC1C[NH+]=C2N,0,GDB ChEMBL
358180,C=CCNC(=O)C1(CO)CNC1=[NH2+],0,GDB ChEMBL
203210,CC#CCCC1CCC=C(C)CCC1,1,GDB ChEMBL
292263,[NH3+]CC(O)(CO)CCC(=O)[O-],1,GDB ChEMBL
332485,C#CC1C(C)CC(C)(C(C)C)CC(C)C[NH+]1C,0,GDB ChEMBL
115415,CS(=O)(=O)[N-]C(=O)OCC(N)C#N,0,GDB ChEMBL
165243,CCN=C1C(CC)CN1C(=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
221145,OCC1C2CC[NH+]3C1COCC23,0,GDB ChEMBL
280836,NCC(=O)OCCC1(CO)CCCCC(O)C1,0,GDB ChEMBL
161372,CC[NH2+]CC(CC(=O)[O-])N1CC1,1,GDB ChEMBL
382074,C#CC(C#CC(C)O)CCCC,1,GDB ChEMBL
288450,CNC(=[NH2+])c1n[nH]c(C)c1COC,0,GDB ChEMBL
136103,CC1[NH2+]C2C(C)c3ccc(Br)cc3C1C2C,0,GDB ChEMBL
362668,CCOC1(C[NH3+])CC1C(=O)OC,1,GDB ChEMBL
225340,[NH3+]CCOC(C#CCC1CC1)CCO,0,GDB ChEMBL
194760,CC(C)NS(=O)(=O)CNC(=O)C(=O)[O-],0,GDB ChEMBL
29611,C[NH2+]C1C(O)C2OC(C2[NH3+])C1C(=O)[O-],0,GDB ChEMBL
208312,CC1CC2C3CC[NH+]1CCOC32,0,GDB ChEMBL
377306,C[NH2+]C(C)C1CC(C(=O)C(C)O)CO1,0,GDB ChEMBL
252116,COC(CC=O)=Nc1cnc(O)cc1C(=O)[O-],0,GDB ChEMBL
367767,C=CCC1(C[NH2+]C)C2CC[NH+](C)C21,0,GDB ChEMBL
303335,CC1(CCCCO)C(O)CCC2[NH2+]CC(=O)C21,0,GDB ChEMBL
216153,CC(=O)NCCc1scc2sc(N)nc12,1,GDB ChEMBL
120366,CCCc1cc(C(=N[O-])C2CC2O)cnn1,0,GDB ChEMBL
286300,CC#CC1OCC(O)CC1[NH+]=C(N)N,0,GDB ChEMBL
337146,C[NH2+]C1(C)C=C(C)CC(C#N)CC1,0,GDB ChEMBL
31400,O=CN1C2C=CC1COC2,1,GDB ChEMBL
384846,CC([NH3+])C(O)(CO)C(=O)NCC(N)=O,0,GDB ChEMBL
185916,NC(=[NH2+])C12CC(O)C(C1)NC(=O)C([NH3+])CC2N,0,GDB ChEMBL
271542,Clc1nc2ccc1CC#CCCCC=C2,1,GDB ChEMBL
214916,C#Cc1cc(C#C)c2cc(CC)cc(C)c2c1,1,GDB ChEMBL
241106,N#Cc1cc2c(C(N)=O)c[n-]c2o1,0,GDB ChEMBL
333678,CNC(=O)C1C(C)C(CO)C2CN21,0,GDB ChEMBL
182929,COCCC(C)CCC(C[NH3+])C(C)[NH3+],0,GDB ChEMBL
322842,CC1=CC(C)([NH3+])C#CCCCCCCC1,0,GDB ChEMBL
282229,NC(=[NH2+])NC(=O)N1C2C(O)CS(=O)(=O)C21,0,GDB ChEMBL
161080,C#CC[NH2+]Cc1cc[nH]c(=O)c1,0,GDB ChEMBL
162931,CNC(=O)COC(C)C1CN1,1,GDB ChEMBL
285619,CC(=O)NC1C[NH2+]C(C)C1,0,GDB ChEMBL
40452,CC(C)CC(=[NH2+])NC(=N)N1CCCS1(=O)=O,0,GDB ChEMBL
26969,CC(=O)OC1C2(C)CN(C)C(=[NH2+])C1(CO)C2,0,GDB ChEMBL
337840,[NH3+]CC1(O)COC2CC([NH3+])C(O)C21,0,GDB ChEMBL
292932,C#Cc1cc(I)c2cncc(CC)c2c1,1,GDB ChEMBL
314171,CCCc1cc2c(cc1F)CC(C)=CCC2,1,GDB ChEMBL
24765,C#CC1=CCC(CC#N)C(C[NH3+])C1,0,GDB ChEMBL
216531,NS(=O)(=O)OCCCC1(O)CC[NH2+]CC1,1,GDB ChEMBL
177999,CCC1(C)CCC(C[NH3+])C(C)C1CCC(C)C,0,GDB ChEMBL
171834,Cc1[nH+]c(C)n2c1N(C)CC2,0,GDB ChEMBL
290324,CC1CC2CC([NH3+])C([NH3+])C(C1)C2,0,GDB ChEMBL
279957,CCC1C[NH+]2CCC3[NH2+]CC2C13,0,GDB ChEMBL
17524,CCCCCC(C)(C)CC(CC)CCC=O,0,GDB ChEMBL
354364,CCCC1(C)C2CCC(C)(C2)C1C(C)[NH3+],0,GDB ChEMBL
149955,CC(=O)C(=N)Nc1cc(=O)n(C)nc1[O-],0,GDB ChEMBL
358835,CC1NCC12OC(=O)N(C(N)=O)C2=O,1,GDB ChEMBL
386443,[NH3+]C1CCC2(O)C=CCC2NC1=O,0,GDB ChEMBL
230762,CC([NH3+])COC(=O)C1OC1C(N)=O,1,GDB ChEMBL
81509,CC1CC(C2CCCC2)C[NH2+]1,1,GDB ChEMBL
142554,C#Cc1c2nc(N)c(C(C)O)c(F)c2nn1C,0,GDB ChEMBL
173865,CCC1C[NH2+]CC(C)(C)CCC(N)=[NH+]1,0,GDB ChEMBL
288160,CC1(CC2CC2)CCC=CC=CCC1,0,GDB ChEMBL
296618,Cc1cc(NC(=O)CC(CO)NC=[NH2+])c(O)[nH]1,0,GDB ChEMBL
148365,Cn1nnnc1NCC(=O)OCCCO,1,GDB ChEMBL
197227,CCOC(=N)c1ccc(I)cn1,1,GDB ChEMBL
126972,CC[NH+](C)CC1(OCCO)CC(O)(C=O)C1,0,GDB ChEMBL
247397,O=C1NC(=O)C2CS(=O)(=O)C=CC(N1)C2O,0,GDB ChEMBL
345704,CC1C[NH2+]CC[NH2+]C(CC=O)CC1CCO,0,GDB ChEMBL
148905,CC(O)C([NH3+])C1OC1C(O)CNC=O,0,GDB ChEMBL
70299,CCC(C)CC1C(C)CCC(C)CC1C,0,GDB ChEMBL
47791,C[NH2+]CC1(C2CCC(C)CC2)CC2[NH2+]C2C1,0,GDB ChEMBL
233897,CCC1=CC=C(C)CCC(C#N)C1,0,GDB ChEMBL
362692,C#CC(CC)CC(C)=CC(F)(F)F,1,GDB ChEMBL
31783,CN1CC(=N)OC(=O)C(CC[NH+](C)C)C1=O,0,GDB ChEMBL
37302,CC1CC(=O)C2C(C(C)C)C(O)CCC2(C)C1,0,GDB ChEMBL
51878,CCC(=O)CCC1(OC(=O)CC)CC(C)C1,1,GDB ChEMBL
33124,CNC(=O)CNC(C[NH2+]C)c1cncc(Br)c1,0,GDB ChEMBL
342329,C#CCCC(CCC)CCC(C)(C)CC#C,0,GDB ChEMBL
386500,CNC(C([NH3+])CO)C(NC)C(O)CO,0,GDB ChEMBL
136472,N#Cc1cccc2[nH]c3c(c12)NCCC3[NH3+],0,GDB ChEMBL
349622,CC1(NC(=O)CCC#N)C2C[NH2+]CC21,0,GDB ChEMBL
290118,C=C(C)CC1CC[NH+]2C1CC1CC12,0,GDB ChEMBL
339963,C[NH2+]CCC1(N)C(=O)OC1C#N,0,GDB ChEMBL
270086,CC[NH2+]CC(=O)N1C(=O)CNC(=O)C1(C)CC,1,GDB ChEMBL
115771,Cc1c([O-])c(N)nn1CCCC(=O)[O-],0,GDB ChEMBL
116634,C[NH2+]Cc1c(N)nc(O)n1CC(C#N)CC=O,0,GDB ChEMBL
308687,CCCN=C(OCC)C(O)CCO,0,GDB ChEMBL
21448,C[NH2+]CC1CC(C(N)=[NH2+])CC(C=O)CN1,0,GDB ChEMBL
21481,COC1CC(C)C2(CC1O)NC2C=O,0,GDB ChEMBL
307581,COCC1CCC2CCCC(C)CC2(C)C1C,0,GDB ChEMBL
271331,CC#CC(OCCOC)C1CC1CC,0,GDB ChEMBL
290307,CC(=O)N(C=O)CC(C=O)OC(=O)NCCO,1,GDB ChEMBL
377972,CCC1C=C(CC(O)C[NH+](C)C)C2CC12C,0,GDB ChEMBL
54066,[NH3+]C(C(O)CO)C1OC(=O)C1NC=O,0,GDB ChEMBL
207007,CC(C)CC[NH2+]CC1(C)OCC(C(F)(F)F)O1,0,GDB ChEMBL
267344,CC1(C)CCC2C1CC[NH+]2CCC#N,0,GDB ChEMBL
391287,OCC1[NH2+]CCC(O)C2OC12,0,GDB ChEMBL
342640,CCCC1CCC=C(C)CC(C)C[NH+]2CC12,0,GDB ChEMBL
305370,CC(C)C1(C2CC2)C[NH2+]CC1CO,0,GDB ChEMBL
300254,CC12CCN(S(C)(=O)=O)C(C1)C1CC12,0,GDB ChEMBL
281794,COC12CC(NC(=O)C1OC(N)=O)C2C,0,GDB ChEMBL
115566,COC1CC(C)C(O)C2C([NH3+])C12C,0,GDB ChEMBL
351286,CC1(C)CNC(=[NH2+])NC1C(CCC#N)C(N)=O,0,GDB ChEMBL
389034,CCC(O)CC1C(C#N)C1NC=O,0,GDB ChEMBL
161793,CCCCC1CC1C1C2CC(C)[NH+](C2)C1C,0,GDB ChEMBL
9935,CC1CCC2C(CO)C([NH2+]1)C(=O)N2C,0,GDB ChEMBL
358826,CN(C)C(CC1CCC1O)C(F)(F)F,1,GDB ChEMBL
277893,CC(C)OC1C2CC2C(=O)C1C1CCCC1,0,GDB ChEMBL
316434,CC(C)CC1CCOC(N)=NC(C=NO)C1,0,GDB ChEMBL
214379,Cc1cc(C)c2cn[nH]c2sc(C)cn1,0,GDB ChEMBL
81490,CC1=CCC(C)CC(CC[NH3+])C1,0,GDB ChEMBL
280859,CC[NH+]1CC2C3CCCC2C31,0,GDB ChEMBL
378086,CC(=O)C(=O)CC(O)C(N)=O,1,GDB ChEMBL
243380,C#Cc1cc(N)c(F)c(O)c1,1,GDB ChEMBL
204514,Fc1ccccc1C1=CC2C3C=CC(C1)C32,0,GDB ChEMBL
105987,CC=CCC1CNC(CC#N)C1[NH3+],0,GDB ChEMBL
209656,C[NH+]1CC2CC(=O)C(CC1C(C)(C)CO)N2,0,GDB ChEMBL
239364,CCOCC1OC2C([NH3+])C(O)CC12,0,GDB ChEMBL
13890,COC12CCNC(=O)OC1(CCO)C2O,0,GDB ChEMBL
127189,N=C(N)c1cc(NCCO)ns1,1,GDB ChEMBL
199086,CC1C2CCC1(C)C2c1cccc(F)c1,0,GDB ChEMBL
252732,CCCC12CC(C#N)C(OC1=O)OC2C(=O)[O-],0,GDB ChEMBL
81457,O=C(Oc1ccncn1)N1CC1,1,GDB ChEMBL
38523,CC1=CCC2C(C1)CC(C)(O)C2CC[NH3+],0,GDB ChEMBL
357604,CCCC1C=C2CC(C)(C)CC2C1C,0,GDB ChEMBL
132547,Nc1ncc(C#CCO)c(N)n1,1,GDB ChEMBL
355035,C[NH+]=C(N)CCCOC1(C(=O)[O-])CC1,0,GDB ChEMBL
307590,CCC(C)C12CCC(O)(CC1)C2,1,GDB ChEMBL
347040,CC1C(CC(=O)[O-])C12CC(=O)OC(CO)C2,0,GDB ChEMBL
361787,Cc1c(Cl)cc(Cl)c(CC(C)C)c1Cl,1,GDB ChEMBL
304425,CCC1=CCC2[NH2+]C(C1)c1cccc(Cl)c12,0,GDB ChEMBL
170084,COC1CCCC2OCCC2CCC1CC=O,0,GDB ChEMBL
121106,CC1[NH+](C)C(C(O)C(N)=O)C2COCOC21C,0,GDB ChEMBL
278225,CC1NC(=[NH2+])NCC1C(O)CC(=O)C#N,0,GDB ChEMBL
300691,CNC(=O)OC(C)CC1CN(C(C)=[NH2+])CC1=O,0,GDB ChEMBL
319368,C#CCC1(C)CC([NH3+])C2CC2COC1=O,0,GDB ChEMBL
271111,CCC(O)C(C#N)CC,1,GDB ChEMBL
157447,CCN1CC1CC(C)C[NH2+]CCC#N,0,GDB ChEMBL
177246,NC(=O)c1cnnc(N)c1C(N)C(N)=O,1,GDB ChEMBL
262247,CC1(O)CC(C#N)=C(C(=O)[O-])COC1C[NH3+],0,GDB ChEMBL
273976,Cc1ccc(Br)c2c1CC1=C(CCOC1)C2,0,GDB ChEMBL
296325,C=C(C)CC(CC)C(C)C(C)(C)C,0,GDB ChEMBL
274935,CC(C)OCCC(C)(C)CCC1(C)CCC[NH2+]1,0,GDB ChEMBL
136029,CC(O)C1C2C(=O)C(C#N)C(=O)N21,0,GDB ChEMBL
273840,CC1NCC(OS(N)(=O)=O)C(CO)C1[NH3+],0,GDB ChEMBL
189776,C#CCCC(C)CC1C(C)(C)C1(C)C,1,GDB ChEMBL
365759,N#CC1CCC(=O)NCC1=O,1,GDB ChEMBL
226261,CC1OC(=N)C(COCC(N)=O)NC1=O,1,GDB ChEMBL
184882,CCCC1C=C(C)COC(=[NH2+])N1,0,GDB ChEMBL
208287,CC1CC1C1CC1c1cccc(F)c1,1,GDB ChEMBL
150002,Cc1cc(C(F)(F)F)c(C(C)C)n1CCC#N,1,GDB ChEMBL
184128,CCCCC(C)(C)CC(N)=[NH2+],0,GDB ChEMBL
282183,CC(NC1=[NH+]CCN1)C(C)(C)O,0,GDB ChEMBL
280336,CCc1cccc2c1C(C)C1CC21,1,GDB ChEMBL
306282,CN(CC([NH3+])C(=O)NC=N)C1(C#N)CC[NH2+]C1,0,GDB ChEMBL
323368,CCCC1CNC2C(O)COC2O1,1,GDB ChEMBL
361192,CN1CC2C[NH2+]C(C3OCCC([NH3+])C31)C2(C)O,0,GDB ChEMBL
357627,N#CC1(C(=O)[O-])CNS(=O)(=O)CCOC1,0,GDB ChEMBL
252057,CCCCC(c1ccc(I)c(C)c1C)C(C)C,1,GDB ChEMBL
12822,Cc1cc2ncnc(C(C)OC(C)(C)C)c2s1,1,GDB ChEMBL
377302,CCn1c2c(c3c1NCC3)CCCC2,1,GDB ChEMBL
324323,CCC1COC2(CO)C1C[NH+](C)C2C1CC1,0,GDB ChEMBL
4736,N#CC(CO)NCCOC=O,1,GDB ChEMBL
304456,C=C(C)CC12CC[NH+](CC)CC1C2,0,GDB ChEMBL
152048,C[NH+](C)CCC1(C)C2CCC21,0,GDB ChEMBL
37647,CC1=CC=CC(C)(C)CCC(C)CC1,0,GDB ChEMBL
358200,C[NH2+]C1C(C)CC2CC(C)=CC=CC21,0,GDB ChEMBL
301199,NC1CC(O)C(O)CS(=O)(=O)[N-]C1=O,0,GDB ChEMBL
244526,CC(=O)N1C(=O)CN2CC1C(O)C([NH3+])C2C[NH3+],0,GDB ChEMBL
398222,CC12NC(C#N)CC1C=C(CO)C2C[NH3+],0,GDB ChEMBL
101021,C[NH2+]C1CCC2(N(C)CC(N)=[NH2+])CCC1CC2,0,GDB ChEMBL
210416,C#CC(CCO)C([NH3+])CCOCC,0,GDB ChEMBL
25221,CC1CC2COC1C([NH3+])C(O)C(C)(CC#N)C2,0,GDB ChEMBL
5259,NS(=O)(=O)CC1(CO)COC(=O)OC1,0,GDB ChEMBL
66170,CC1C2CCOCC12C[NH3+],0,GDB ChEMBL
274078,CC(=O)Nc1nc(NCCO)nsc1=N,0,GDB ChEMBL
40043,CC(=O)C1C([NH+](C)C)C1(C)CCC(C)C,0,GDB ChEMBL
273990,CCCC(CC)CCC1CCC(OC)C(=N)O1,0,GDB ChEMBL
372580,CCC1(C)CC(C)C2CCCCCC[NH2+]C21C,0,GDB ChEMBL
33250,COC(=O)C1CNC(CO)S(=O)(=O)CC1C,0,GDB ChEMBL
208441,CC1CN(C)C(=O)NCCNC=[NH+]1,0,GDB ChEMBL
104684,C#CC(C#Cc1ccccc1F)C1COC1,0,GDB ChEMBL
362037,C#Cc1nc(C2C[NH2+]C2)cc(NCC)c1O,0,GDB ChEMBL
51852,CC1[NH2+]CC(=O)NC2CC([NH3+])CC(C(N)=O)C21,0,GDB ChEMBL
177085,CC=C1CNCc2ncc(Br)cc21,1,GDB ChEMBL
192565,N#CC1(N)C(O)C1C(C(N)=O)C(N)C[NH3+],0,GDB ChEMBL
17464,COCC1COC2CC(C)(O)C(C)(C[NH+]1C)O2,0,GDB ChEMBL
240379,OCCC(CO)C(O)CC1C[NH2+]1,0,GDB ChEMBL
248614,CN(C)c1scc(S(N)(=O)=O)c1C#N,1,GDB ChEMBL
213982,CNC(=O)C(CO)(CO)C(C)C(=O)[O-],0,GDB ChEMBL
320477,C[NH2+]Cc1cc(C2CC2)c2cccnc2c1,0,GDB ChEMBL
262548,C=CC(CC1C[NH2+]1)(OCC)C(=O)[O-],0,GDB ChEMBL
277699,NC(=O)NC1COC1C([NH3+])CO,0,GDB ChEMBL
175860,N#Cc1cncnc1OC(=O)CO,1,GDB ChEMBL
376651,O=Cc1ccc2ncc(F)nc2c1,1,GDB ChEMBL
222588,CC1OC(CC(N)=O)C2C1N2C,0,GDB ChEMBL
362962,C=C1CC2(C)CC1(O)CC2C(=O)[O-],0,GDB ChEMBL
208397,COC(CO)C([NH3+])CO,1,GDB ChEMBL
228870,C#Cc1c(NC)cc(Cl)c2c1CCC=C2,1,GDB ChEMBL
65905,O=C1NCCn2ncc(=O)cc21,1,GDB ChEMBL
89107,COC1C=CCC(C)(C)C1C,1,GDB ChEMBL
251437,CC(O)c1nc(C(N)=O)co1,1,GDB ChEMBL
280439,Cc1nc(C2(C[NH3+])CC(C)(C)C2)cn1C,0,GDB ChEMBL
174817,CN1C(=O)C2(CC1(C)C)C1CCCC2C(=O)C1,0,GDB ChEMBL
114823,COCC1CC(CO)CC(C(C)(C)C)[NH2+]1,0,GDB ChEMBL
121470,CC[NH2+]Cc1csc(C#N)n1,1,GDB ChEMBL
300736,Cc1ccnc(Cl)c1OC1C(O)CC1(C)O,1,GDB ChEMBL
247358,C[NH+](C)CC1(C)CCC(C2CC2)N1C=O,0,GDB ChEMBL
361827,CCCC(C)C1CC1COCC,1,GDB ChEMBL
206944,CC1C2CC1(C)c1c(Cl)cccc12,1,GDB ChEMBL
304421,CCOCC(C)([NH3+])C1OC(=O)NC1C[NH3+],0,GDB ChEMBL
131858,NC(=O)c1cc([O-])c(CO)c(N)nc1=O,0,GDB ChEMBL
294498,CC1CC2COC(=N1)C=CCOC(=O)C2,0,GDB ChEMBL
82181,CCC(C)[NH2+]CCc1ccc2c(c1Br)COC2,0,GDB ChEMBL
189830,CCC1CN2C(C[NH2+]1)CC([NH3+])CS2(=O)=O,0,GDB ChEMBL
132308,CC(C)C(C)(C)OC1(C2CCCC2O)CC1,0,GDB ChEMBL
122992,COC1CC=CCC1C1C(C)(C)C1(C)C,0,GDB ChEMBL
398172,CC(=[NH2+])NC(=N)NC(=O)NC1C[NH2+]C1,0,GDB ChEMBL
338531,CC(O)C1C(C)([NH3+])C1(O)C(=O)[O-],0,GDB ChEMBL
115607,CC(C)[NH2+]C1(CC(=O)[O-])C(N)=NCC1O,0,GDB ChEMBL
116611,Cn1c(C(C)(C#N)C(=O)[O-])cncc1=O,0,GDB ChEMBL
255992,COc1cc(C)c(I)c(I)c1,1,GDB ChEMBL
82188,CCC(O)CC(C)C(O)CC1CCOC1CO,0,GDB ChEMBL
235623,COCC1C(OS(N)(=O)=O)C1C(=O)[O-],0,GDB ChEMBL
107652,CCCC1C=C(C(F)(F)F)CC=CCC1,0,GDB ChEMBL
286861,CN1CC(O)C2CCN3C(=O)C1C23C,0,GDB ChEMBL
302427,CC1=CCC(C2CC2)C2C(C1)OC(C)C2C,0,GDB ChEMBL
70179,COC(=O)C(OC=O)C(CO)OC,1,GDB ChEMBL
331513,CCc1cc2c(c(CC3CC3)c1F)CCN2,1,GDB ChEMBL
189995,CCC1(C)CCCC(Oc2ccccc2C)C1,1,GDB ChEMBL
25130,CC1(C)C[NH+](C2C(O)CCC2O)C1,0,GDB ChEMBL
50856,CNc1cnnnc1C1CC(C)NC1=O,0,GDB ChEMBL
296283,CC(C)N(C1C(CO)C1CO)S(C)(=O)=O,1,GDB ChEMBL
352879,CC#CC1CCCC(C(C)[NH3+])C1,0,GDB ChEMBL
84250,C[NH2+]C(C(=O)[O-])C(C(N)CO)S(N)(=O)=O,0,GDB ChEMBL
209874,CNC(=O)C1C(C)NC(=O)C2(CO2)C1O,0,GDB ChEMBL
116048,O=C1OCC2C3CCC2C1C3CO,0,GDB ChEMBL
297266,CCn1cc(N)nc1N(C)C(=O)N(C)C(N)=O,1,GDB ChEMBL
250661,C#CC([NH3+])CC(C)C(C)Cc1cccc(Cl)c1,0,GDB ChEMBL
113499,CN1CC([NH3+])c2cc(N)cnc21,0,GDB ChEMBL
379249,CC[NH+](C)CCCC(C)C1CO1,0,GDB ChEMBL
9734,CC(C(N)C[NH3+])N(C)C1CS(=O)(=O)[N-]C1=O,0,GDB ChEMBL
132850,CC#CC1C([NH3+])CCC1C1CC[NH2+]C1,0,GDB ChEMBL
67381,C[NH2+]C1COC2CC(O)CC2(O)C1C,0,GDB ChEMBL
351140,CC1CC(CO)CCC2C[NH2+]C1C2CC=O,0,GDB ChEMBL
203846,Cc1ccc2c(c1)C(C)(C)[NH2+]C2,0,GDB ChEMBL
283968,C#CCCC(CC)c1cc(C)ccc1CC=O,0,GDB ChEMBL
97719,CC1=CCCCC(C2CC2)C1C,0,GDB ChEMBL
185907,Cc1ncc(C(C)(C)C)cc1Cl,1,GDB ChEMBL
288732,C#CC1C=CCC(C)CCCO1,1,GDB ChEMBL
271102,Cc1cc(C2OC2C)cc(Cl)c1C,1,GDB ChEMBL
264000,CC(O)C(C)C(N)c1ocnc1C(N)=O,1,GDB ChEMBL
40259,CC1CC[NH2+]C2C(O)C23CCOC13,0,GDB ChEMBL
86748,CN1CC2(C)CCOCC(C2C#N)S1(=O)=O,0,GDB ChEMBL
186729,C=CCC(CC)C12CCOCC1C2,0,GDB ChEMBL
362355,CCCc1cc(CCO)c(Cl)c2c1CCCC2,1,GDB ChEMBL
200701,CNC1(CO)C(C(=O)[O-])[NH2+]CC1(C)CC#N,0,GDB ChEMBL
27909,NC(=O)NCCC1([NH3+])COC(=O)C(N)C1O,0,GDB ChEMBL
274170,CCC1=CC(C2(C)COC2)NC1=O,0,GDB ChEMBL
48042,CC[NH2+]C1CCC1(N)C#N,0,GDB ChEMBL
286989,CCN(C)c1ncn(CC[NH2+]C)n1,0,GDB ChEMBL
208244,CS(=O)(=O)N1C2CC3(O)C(NC2=O)C13,0,GDB ChEMBL
330103,CCOC1C(=O)NC(=N)CC1C,0,GDB ChEMBL
214888,C#Cc1cc(C)c(C)c2ccc(C(C)C)cc12,1,GDB ChEMBL
5338,C[NH+]=C1NCCC(CO)CN1,0,GDB ChEMBL
251032,CCC1CCCC2(C)CC(CCC2O)C1,0,GDB ChEMBL
54810,CCC1(N)C(=N)OCCN(C(C)=O)C1=O,1,GDB ChEMBL
19638,CC(Cc1cscc1N)C(N)=O,1,GDB ChEMBL
22487,C#CC1OC(C(C)[NH3+])COC(C)C1CC(N)=O,0,GDB ChEMBL
65590,CCC(N)(C[NH3+])C(=O)OC,0,GDB ChEMBL
234941,[NH3+]C1C=C(C(=O)[O-])NC(=O)C1O,0,GDB ChEMBL
178034,CCCCC1CC2CCC(C)(C)CC1(C)C2,0,GDB ChEMBL
351334,COCC12C=C(C)CC1C(O)CC2,0,GDB ChEMBL
306303,CCC(C)C(C)[NH+]=C(N)OC,0,GDB ChEMBL
189805,NC(=[NH2+])OCc1cc(CCO)cnc1NC=O,0,GDB ChEMBL
332483,CCC(C)Oc1cnc2n1CCCN2,1,GDB ChEMBL
244573,CC1(C)C[NH2+]CCC2CC2C1,0,GDB ChEMBL
228358,NC(=O)CCNc1nnc(C(O)CO)s1,1,GDB ChEMBL
292677,COc1cc(F)c(N)c(CCc2cccs2)c1,1,GDB ChEMBL
341924,CC1=CCC2CC(C)C(C)(C)OC2CC1,0,GDB ChEMBL
304155,CCCc1cc(=O)ccc2c1CCCC2(C)C,1,GDB ChEMBL
29657,CC[NH+](CC=O)C(C)(C)COCC1CC1,0,GDB ChEMBL
238199,O=C([O-])c1cncn1CCOCc1cc[nH]c1,1,GDB ChEMBL
64070,Brc1cccc2c1CCOC2,1,GDB ChEMBL
294242,CCS(=O)(=O)[N-]c1cc(C#N)[nH]n1,0,GDB ChEMBL
309806,CCOc1cc(OC)n2nncc2c1F,1,GDB ChEMBL
374931,CN(C)C(C#N)Cc1c(N)ncc(C#N)c1F,1,GDB ChEMBL
110255,CNc1cccc(CCO)ccsc1N,0,GDB ChEMBL
101475,C#CCC1C(C(C)C)CCCC12OCCC2=O,0,GDB ChEMBL
352687,C#CCC(=O)C1C(C)CCCC2OCC1C2C,0,GDB ChEMBL
228816,C[NH2+]CC(OC)C1C(C)=CC(O)C1(C)C[NH3+],0,GDB ChEMBL
388294,C#CCCc1ccc(C)c(C)c1C,1,GDB ChEMBL
299603,CC[NH2+]C1CCC2NC(C#N)C(O)C(O)C21C,0,GDB ChEMBL
136060,C[NH2+]CC1OCC(=O)NCCc2nc(N)sc21,0,GDB ChEMBL
215839,CC1CC(=O)NC(=NCCC(C)[NH+](C)C)N1C,0,GDB ChEMBL
155085,CC1NC=[NH+]C(C(=O)[O-])C2C(C[NH3+])C12,0,GDB ChEMBL
310117,Cc1cc2cc3c(cc2o1)CCCC3,1,GDB ChEMBL
235520,CC[NH+](C)Cc1nc(=O)c([O-])co1,0,GDB ChEMBL
191368,CCCCC1C2C[NH2+]C1C(CC)CN2,0,GDB ChEMBL
21740,CC1=CC(C)(C)C(C(N)=O)NC(=O)C1,0,GDB ChEMBL
174192,Oc1ccc2c(c1)CC1(N3C=[NH+]CC3)CC21,0,GDB ChEMBL
126866,CCCC=CC1(C)C2C=CC1C=C2,1,GDB ChEMBL
385502,CC1(CO)C[NH+]=C(N)C2C(=O)OC2C1,0,GDB ChEMBL
195273,CCOC1C(OC)CNS1(=O)=O,0,GDB ChEMBL
261427,CCCC#CC(C#N)C1C[NH2+]C1,0,GDB ChEMBL
10988,CC(C(N)C#N)C([NH3+])CC(N)=O,0,GDB ChEMBL
348480,CCC([NH+]=CN)C(C)CC(O)CC(C)C,0,GDB ChEMBL
99655,CCCC1(C)C=CC2CCCC(C=C1)C2,0,GDB ChEMBL
178066,COC(=O)NC(=O)C1OCOCC1(C)O,1,GDB ChEMBL
185310,CCNc1nc2cccc(CO)c2o1,1,GDB ChEMBL
26413,CNS(=O)(=O)OC(C)C1CN(C)C(=O)N1,0,GDB ChEMBL
225233,C[NH2+]C(C)(C)C(N)Cc1ccc(C)c(Cl)n1,0,GDB ChEMBL
71474,CCNCC[NH2+]CC12CC(C1)C([NH2+]CC)C2,0,GDB ChEMBL
274017,CC1CCCC#CCC[NH2+]C1,0,GDB ChEMBL
132491,CNC(=O)C1C(N)C(N)C(C(O)CO)N1C=[NH2+],0,GDB ChEMBL
36098,CC#CC(=O)OC(C)CO,1,GDB ChEMBL
383673,CN=C(C)OC(CC([NH3+])C(C)C)C1CC1,0,GDB ChEMBL
201697,CNC(=O)C(C(O)C=O)N(C)CC(C)=O,0,GDB ChEMBL
283395,NC(=O)C(C#CC1CN1)C(O)CO,0,GDB ChEMBL
161000,C#CC1C2OC(=O)C(N)CC12C,0,GDB ChEMBL
31786,COC(C)C(N(C=O)C(=N)N)C(N)(C#N)CN,0,GDB ChEMBL
76775,NC(=O)CC1CC=Cc2cscc2S(=O)(=O)C1,0,GDB ChEMBL
109756,O=C1CCNS(=O)(=O)CCCOC1,1,GDB ChEMBL
225020,CC1(C[NH3+])C(O)COCC1(N)C(=O)[O-],0,GDB ChEMBL
198625,CCC1([NH3+])C=C(C)C(CC(N)=O)CC1O,0,GDB ChEMBL
51410,C=C1CC2CC1C(CC(O)CO)[NH2+]2,0,GDB ChEMBL
359134,CCc1cc(C)c(CC(C)(C)C)c(C(C)C)c1,1,GDB ChEMBL
244280,NC(=O)C(O)C1C2CNC(=O)N21,0,GDB ChEMBL
234463,N#CC1OC(=N)C2C([NH3+])CNC12CC(=O)[O-],0,GDB ChEMBL
317604,C1=[NH+]c2ccccc2C2CC2N1,0,GDB ChEMBL
59676,CCn1nc(OC)c2c1CNC(=O)N(C)C2,1,GDB ChEMBL
85666,CC1CC[NH2+]C(C)C2(CC1)CC2,0,GDB ChEMBL
284755,CC1C=CC2(C)CC(O)C(C)(C(=O)[O-])C12,0,GDB ChEMBL
30366,CC1CCC(C([NH3+])CN(C)C(C)CO)C1,0,GDB ChEMBL
365791,Cn1nncc1CCCO,1,GDB ChEMBL
304895,COCC1CC2C1C[NH+]2C,0,GDB ChEMBL
5028,C[NH2+]C1C2CCOC(CCOC1C1CC1)C2,0,GDB ChEMBL
273653,CCc1cc(=NCCO)sc(NC(N)=[NH2+])n1,0,GDB ChEMBL
216171,C[NH2+]C(C)C(O)CC1(C#N)COC(=O)C1,0,GDB ChEMBL
215309,C#CC(C#C)CC1CCCCC(C[NH3+])C(C)C1,0,GDB ChEMBL
217139,COC12CN(C1)C(C)C2O,1,GDB ChEMBL
202854,NC(=O)OC=NC1CNC(=O)CC([NH3+])(CO)C1,0,GDB ChEMBL
133365,C#CCOC(C([NH3+])CO)C1(C)CC=CC1,0,GDB ChEMBL
276105,CCC(C)C1=CCC(C)C1(C)CC(C)C,0,GDB ChEMBL
83116,Cc1cccn1C(=O)N1CC1,1,GDB ChEMBL
118447,CS(=O)(=O)N1CCNCC(O)C1=N,1,GDB ChEMBL
84474,CC(C(N)=O)C(=O)N(C(=N)N)C(N)=O,1,GDB ChEMBL
262355,CCNc1nc(C(=O)OCC#N)co1,1,GDB ChEMBL
133317,[NH3+]C1C2C(=O)N(CCO)CC(O)C12,0,GDB ChEMBL
334092,CC(CO)CC(C)(O)C1(CO)CCC1,1,GDB ChEMBL
353951,COCC(OC)C1(C)C=C(C)C(C(C)C)C1,0,GDB ChEMBL
359190,CC[NH2+]C12CCC(O)C1C2C[NH3+],0,GDB ChEMBL
83024,C#CCC1CCC(C(C)(C)C)C(C(C)C)C1,0,GDB ChEMBL
148182,CC1OC2(C[NH3+])CN(C)CC2C1[NH3+],0,GDB ChEMBL
51058,[NH3+]C1CNS(=O)(=O)C1OCCC(=O)[O-],0,GDB ChEMBL
160319,CNS(=O)(=O)C(C)(CO)C1CNC(=O)N1,0,GDB ChEMBL
87477,CCC(C(CNC=O)C1=[NH+]CCN1)N1CC1,0,GDB ChEMBL
98580,C=CC(C[NH3+])C1Cc2ccsc2C1,0,GDB ChEMBL
292723,CC1CCC2C(C=CC(CC3CC3)C2C)C1,0,GDB ChEMBL
295933,CC(=O)N(C=N)CC[NH3+],1,GDB ChEMBL
23437,N#CC(C#N)N1CC(O)C1,1,GDB ChEMBL
95189,CC(O)C(CC[NH+]=C(N)N)S(=O)(=O)[O-],0,GDB ChEMBL
259355,CNC(=O)c1c(O)nc(Br)c2c1CCC2,1,GDB ChEMBL
142556,NC(=[NH2+])CCC1COCC2CC(O)CCC1O2,0,GDB ChEMBL
317373,C#Cc1nc(C=O)cc(NC(N)=O)n1,1,GDB ChEMBL
1480,C[NH+]1CC2(C)OCC(C)(C)C1C2O,0,GDB ChEMBL
92881,CCNc1c(I)cc(O)nc1N,1,GDB ChEMBL
89334,C=C1CC2[NH2+]CC(O)C(CC)C2C1,0,GDB ChEMBL
389649,C#CC(CCC(=O)CC(C)C)[NH+]1CC(C)C1,0,GDB ChEMBL
391313,NC(=[NH2+])CC(C(N)=O)C(NC=[NH2+])C(O)CO,0,GDB ChEMBL
193253,Cc1cnc2cc(F)c(O)cn12,1,GDB ChEMBL
195443,CCC1OCC(NC(N)=O)C1C(C)C,0,GDB ChEMBL
24015,CC(=O)OC1C2COC1CO2,1,GDB ChEMBL
246388,CC1CC(C(=O)[O-])OC1=N,1,GDB ChEMBL
48461,[NH3+]CCC(CO)C1NC(=O)C([NH3+])C1O,0,GDB ChEMBL
79523,C[NH2+]CC1C2CC3CC2C(=O)NC31,0,GDB ChEMBL
330406,CNc1cc(F)c2sc(C)nc2n1,1,GDB ChEMBL
16550,CCC1([NH+](C)CC(C)C)CCC(C)(C)C1,0,GDB ChEMBL
43515,[NH2+]=CNCCCC([NH3+])C(=O)[O-],0,GDB ChEMBL
379393,Cc1cc2cc(CCO)nc(N)c2c(F)c1F,1,GDB ChEMBL
362820,C[NH2+]C1C2CN(CC[NH3+])C1C2(C)CC#N,0,GDB ChEMBL
378308,CC1CC2CC=CCC3OCCC1C23,0,GDB ChEMBL
77372,CCOC(C)c1cc(C)nc(F)c1C,1,GDB ChEMBL
312860,O=C([O-])CN=C1C=C2CC(O)C(O)C2O1,0,GDB ChEMBL
246804,COC(C)c1cc(O)c(Br)cc1CC(C)(C)C,1,GDB ChEMBL
153699,CC1CC1C(C(=O)[O-])=C1CC[NH2+]C1,0,GDB ChEMBL
372736,CCC(C)(C)CC1CCCC(=O)C=C1C,0,GDB ChEMBL
141698,Cc1nsc(NC2COC2)n1,1,GDB ChEMBL
263401,COC1(Cc2cnc[nH]2)C(C)C1C[NH3+],0,GDB ChEMBL
263209,CCOCC1CN2CC(OC)CC(C2)O1,1,GDB ChEMBL
129800,NC(=O)NC1C2CNS(=O)(=O)CC21,0,GDB ChEMBL
161778,CC1(O)CC1C(CC[NH3+])C(CO)OS(N)(=O)=O,0,GDB ChEMBL
232070,N#CC(=O)N(CCO)Cc1nc[nH]n1,1,GDB ChEMBL
235535,N=C1CC(OC(=O)C2CC2)CO1,1,GDB ChEMBL
331707,N#CC(N)CC1CC(CNC(N)=[NH2+])C([NH3+])CN1,0,GDB ChEMBL
26599,C#CC(C(C)=CC[NH+](C)C)C1CO1,0,GDB ChEMBL
162909,C#CCCC(CC(C)C)C1(O)CCC(C)CC1,0,GDB ChEMBL
314118,CCCC1C(C)C1([NH3+])c1cccc(C)n1,0,GDB ChEMBL
221890,[NH3+]CC1CC2CC([NH3+])C=CC(=O)OC1C2,0,GDB ChEMBL
211157,CCC(C)c1ncc(C)nc1CC[NH3+],0,GDB ChEMBL
138393,NC(=O)C1CC(O)C([NH3+])(C(=O)[O-])C1C(O)CO,0,GDB ChEMBL
343231,NC1C(=O)NC2C[NH2+]CC13CC23,0,GDB ChEMBL
186571,O=CN1CC(=O)NCC(CC2CO2)C1CO,0,GDB ChEMBL
245498,CCC1(C)CC2[NH+](C)CCCC2(C)CO1,0,GDB ChEMBL
323186,C#CC1(N)COCCNC(=O)C1(C)[NH+]=C(N)N,0,GDB ChEMBL
95588,N#CCC(NC(N)=[NH2+])(C(N)=O)C(O)CO,0,GDB ChEMBL
271038,CC1(C)CCOC(=O)C2(C#N)C(O)C2C1,0,GDB ChEMBL
15590,Cc1nccc(Cl)c1C1(C)CCC(C)C1(C)C,0,GDB ChEMBL
85692,CC(O)C(=O)N(C)C(C(C)C[NH3+])S(=O)(=O)[O-],0,GDB ChEMBL
258293,C#CC(C#CCC(C)CC)CCCCC,1,GDB ChEMBL
208614,COC1C(O)CC(C2(O)CC2)C1[NH3+],0,GDB ChEMBL
280781,C#CCCC(=O)CC(OC)c1ccccc1Br,1,GDB ChEMBL
302482,C#CCOC1(CC)CC(C)CC(=O)O1,1,GDB ChEMBL
171850,CC(C)CC1(C)CC2CCCCC(C1)C2C,0,GDB ChEMBL
44985,CC1CC(=O)C=CC1CCO,1,GDB ChEMBL
263531,N#CCC(=CC(O)C([NH3+])CO)CO,0,GDB ChEMBL
70348,N#CC1C(N)C1(C[NH+]=C(N)N)CC(N)=O,0,GDB ChEMBL
338299,O=C1NC2C[NH2+]CC2C(=NO)CC(O)C1=O,0,GDB ChEMBL
316324,COC12CCC(CC1)OC(C)(CC[NH3+])C2,0,GDB ChEMBL
250628,C[NH2+]CC(=O)Nc1cc(C(O)(C#N)CN)on1,0,GDB ChEMBL
221092,Cc1ccn2c(=O)n(C)c(C([NH3+])CO)c2n1,0,GDB ChEMBL
380551,NC=[NH+]c1cccc(C2(O)CC(O)C2)c1,0,GDB ChEMBL
94683,CN(C)C(=O)[c-]1cc(CC(N)=O)[nH]c1=O,0,GDB ChEMBL
330080,C[NH2+]C1CC=CC(N)(C[NH+](C)C(C)C)C1,0,GDB ChEMBL
239994,CCC1CCC=CC=CCC1(C)C,0,GDB ChEMBL
8708,CC(=O)NC1CC(C)OC(C2(C)CO2)C1,1,GDB ChEMBL
19359,C(#CC1CCCC1)CCC1CC=CC[NH2+]C1,0,GDB ChEMBL
398871,CCC1C2C(=O)OCC12[NH3+],0,GDB ChEMBL
1490,COC(CO)C(C)C1(O)CC1C(N)=O,0,GDB ChEMBL
200617,CCC1CC2CCCC(C1[NH3+])C2C(F)(F)F,0,GDB ChEMBL
122833,CNC(=O)C(C(C)C)S(=O)(=O)N(C)CCO,1,GDB ChEMBL
26888,[NH3+]C1CCCNC2=[NH+]CC(CC(=O)[O-])CC1N2,0,GDB ChEMBL
119944,COC(CO)C(O)C1(CO)CC1[NH3+],0,GDB ChEMBL
363589,CC#CC#CCCC(=[NH2+])NCCC1CCC1,0,GDB ChEMBL
394306,CCC(CCC(N)=O)C1CCC2CC21,0,GDB ChEMBL
61998,CCCCCC(C)C1C=CC(C)(CC)C1,0,GDB ChEMBL
271124,CCC[NH+](C)C1CCCC(C2CCC(C)C2)C1,0,GDB ChEMBL
203204,CCC[NH+]1C2CCCC1C1C(=CCC1C)C2,0,GDB ChEMBL
11429,CC1=CCC2OC(=O)CS(=O)(=O)NC2C1,1,GDB ChEMBL
318384,COC1C(CO)C2CC([NH3+])C1N2,0,GDB ChEMBL
331201,CNC(=O)C1C(O)C1N(C(C)=N)S(C)(=O)=O,0,GDB ChEMBL
203741,Cc1cc(Cl)ccc1C1(C)C(C)C1C(C)C,0,GDB ChEMBL
215657,C#CCc1c(CCCO)cc(Cl)nc1C,1,GDB ChEMBL
204165,NC(=[NH2+])c1cc[nH]c(=O)c1I,0,GDB ChEMBL
194443,CC[NH+]1C2CC2C(=O)OC(C)C1(C)C,0,GDB ChEMBL
203520,CNc1ccc(OC)c(I)c1[N+](=O)[O-],1,GDB ChEMBL
20116,CCS(=O)(=O)NCc1[nH]ncc1CC#N,1,GDB ChEMBL
264977,CC(O)C([NH3+])C1C=CCCC2OC2(C)C1,0,GDB ChEMBL
336046,CCC1(C)[NH2+]CCCC(O)C1CC(C)[NH3+],0,GDB ChEMBL
354850,CCCC(C#N)C12CCC1CNC2=O,0,GDB ChEMBL
292579,CCCCCC1(O)CCC(C)(C)C(C)C1C,1,GDB ChEMBL
281851,CCCCC1C=CC(=CC#N)C1C,1,GDB ChEMBL
8672,CNc1n[nH]c(=O)c(N)c1[N+](=O)[O-],1,GDB ChEMBL
125611,[NH3+]CC1N2C(=O)CC(O)C12CS(=O)(=O)[O-],0,GDB ChEMBL
48034,Nc1ncc(NCCOC=O)nn1,1,GDB ChEMBL
75439,CN(C)S(=O)(=O)CCC(O)c1cnncn1,1,GDB ChEMBL
41121,[NH3+]C1C2OCC(C2O)N2C(=O)NCC12,0,GDB ChEMBL
242625,CC12CCC3([NH3+])C(NCC(N)=O)C(CO1)C23,0,GDB ChEMBL
322920,CCOC1C[NH2+]C2(C)C(N)C12,0,GDB ChEMBL
71438,O=C1OCC2CC3C1N3C2CO,0,GDB ChEMBL
387340,C#CC1CCC(OCC[NH3+])C=CC1O,0,GDB ChEMBL
166412,CCCC(C)C1(COC)CCC1,1,GDB ChEMBL
397977,N#CC1CC1C1(C(=O)[O-])CO1,0,GDB ChEMBL
258212,C#CCC1CC(C)[NH+](CC)C(CC)(CC)CO1,0,GDB ChEMBL
27972,CN=C1CNC2CC(=O)N(C)C2CCC(=O)O1,0,GDB ChEMBL
352161,CC(C)(CC#N)Cn1ccnc1,1,GDB ChEMBL
215862,CNC(=O)C1(NC(=O)C(C)=O)CC1,1,GDB ChEMBL
114398,NC(=O)C[NH2+]CCC1(O)COC1=O,0,GDB ChEMBL
204451,Cc1c(Cl)cc2cc(N)c(=O)oc2c1N,1,GDB ChEMBL
233431,[NH3+]C1C(O)C2NS(=O)(=O)CC1C2C(=O)[O-],0,GDB ChEMBL
372624,NC(=[NH2+])C12CNC(=O)OC(CO)C1NC2,0,GDB ChEMBL
305349,CC[NH+](C)C1C(=N)OC(=O)N2C3CC(C3)C12,0,GDB ChEMBL
239382,C#CC(O)COCCC1COC(NCC#N)=N1,1,GDB ChEMBL
287021,CN(C)c1cc2[nH]cnc2c(Cl)c1O,1,GDB ChEMBL
62109,COC(C)(C)CC(C)C1C(C)N1C,0,GDB ChEMBL
24475,NC(C[NH3+])CC[NH2+]C1C(O)C1O,0,GDB ChEMBL
124848,CCC([NH2+]C)C1(C[NH+](C)CC)COCCC1=O,0,GDB ChEMBL
240423,Cc1scc2cc(F)ccc12,1,GDB ChEMBL
120378,C[NH+]=C1NCC(=O)OCC(N)(C(O)CO)CN1,0,GDB ChEMBL
272559,NC(=O)C1[N-]C(=O)NC(=O)c2ocnc21,0,GDB ChEMBL
16477,CC(=O)CC(C)(O)C(=O)N1CC1CO,1,GDB ChEMBL
292561,CCC1CCCC1C1CC2C=CC1C21CC1,0,GDB ChEMBL
166471,C[NH+](C)C1C2CCC1CC2,0,GDB ChEMBL
71259,CC1OC2C[NH2+]C1C(O)CC2O,0,GDB ChEMBL
205934,NC(=[NH2+])NC(CO)C(=O)CC(O)CO,0,GDB ChEMBL
315184,CCCC(CCCC[NH2+]C)CCC(CC)CC,0,GDB ChEMBL
268145,CCOCCC1NC(=O)C(C)(O)C2OCC12,0,GDB ChEMBL
136540,COC1CC2([NH3+])C(O)C2(OC(C)=O)C1C,0,GDB ChEMBL
323293,CCCCC1CC(CNCC=O)[NH2+]1,0,GDB ChEMBL
300514,CCC1[NH2+]C2C([NH3+])CC(C)CC12COC,0,GDB ChEMBL
263871,NC(=O)C(C[NH3+])C1CCCC[NH2+]C1,0,GDB ChEMBL
77013,N#Cc1nc(CO)c(N)nc1O,1,GDB ChEMBL
315212,COC1(C)CC(C)C2C[NH2+]C2C([NH3+])C1,0,GDB ChEMBL
127619,CS(=O)(=O)[N-]C(=O)CNC(N)=[NH2+],0,GDB ChEMBL
273834,CC1(CC#N)CC=CC1[NH3+],0,GDB ChEMBL
91194,CCC(C1CN1C)C1CN1C(=O)CO,0,GDB ChEMBL
184694,CC1c2ccccc2OC1(C)C1(C)C[NH2+]C1,0,GDB ChEMBL
55506,CCCCC(C)(C)CC1(C)CC2CC(C)C1C2,0,GDB ChEMBL
156113,C#Cc1ccc2c3c1CCCC(C)C3CC2,0,GDB ChEMBL
338277,C#CC(CO)n1ccnc1,1,GDB ChEMBL
263199,C#CCC1(C)CC(=O)CC1[NH+](C)CC,0,GDB ChEMBL
347879,CC1CCC2[NH2+]Cc3ccc(Cl)c(c32)C1(C)O,0,GDB ChEMBL
305233,C=Cc1c(CC)ccc(C)c1CO,1,GDB ChEMBL
73293,COC1OCC2CC(O)C1[NH2+]2,0,GDB ChEMBL
286119,N=C(N)N(C=O)C(=N)c1c(F)cc(O)nc1O,1,GDB ChEMBL
368534,CC(O)CC[NH2+]C(CO)CC=O,0,GDB ChEMBL
93717,C#CC(C)([NH2+]C)C1C(=O)CCC1O,0,GDB ChEMBL
298082,C#Cc1ccc(CCC(C#C)CC)nc1CC,1,GDB ChEMBL
48051,COC(C)CNC(N)=[NH+]CC(=N[O-])C(C)=O,0,GDB ChEMBL
342355,CCCC(C)(CC)Cc1cc(O)ccc1I,1,GDB ChEMBL
346539,CCC1CCC(C[NH3+])N=C(NC)O1,0,GDB ChEMBL
163423,N#CCCC(=O)COCC(=O)[O-],1,GDB ChEMBL
354801,CN=C1OCCCN1C(C)C#N,1,GDB ChEMBL
337841,CCCC1CCC(C)C2(CCC2)O1,1,GDB ChEMBL
188498,CC1CC(=O)CCC#CCCO1,1,GDB ChEMBL
99620,OCc1nc(CCNc2cccnc2Br)c[nH]1,1,GDB ChEMBL
300495,CC1OCCC1CC(C)([NH3+])CO,0,GDB ChEMBL
37650,C#CC(C=C)CC([NH3+])(CO)CC[NH3+],0,GDB ChEMBL
333117,COCC(=N)N(CCO)S(=O)(=O)CC#N,1,GDB ChEMBL
173912,CN=C1CN2CC(O)C(O1)C(C#N)C2CC#N,0,GDB ChEMBL
368551,CCCC12C[NH2+]C(COC(C)C(C)N1)C2,0,GDB ChEMBL
323975,Cc1cc2c(Cl)cncc2ccocn1,0,GDB ChEMBL
126611,C#CCCC(C)CC1CCOC2CCC(C1)C2,0,GDB ChEMBL
37606,CC1[NH2+]CCCC1(C)C#N,0,GDB ChEMBL
312526,C#CCC([NH3+])C(O)(CO)c1cn(CCC)cn1,0,GDB ChEMBL
26005,COC(C(=O)[O-])C12CC([NH3+])C(C1)OC(=O)N2,0,GDB ChEMBL
316450,CCCC(C[NH+]=C(N)N)OC,0,GDB ChEMBL
72398,NC(=[NH2+])NC1COC1=NCCS(N)(=O)=O,0,GDB ChEMBL
126891,CC(C)C1CC12CC[NH+](CCN)C2,0,GDB ChEMBL
53689,CC(CO)CC1CC2=C(C[NH2+]1)CC(O)C2,0,GDB ChEMBL
43937,CCC(O)C1(C(C)[NH+](C)C)CC2CC2C1,0,GDB ChEMBL
99080,COC(=O)N1CC(=O)NC(=N)N(C)C1=O,1,GDB ChEMBL
334342,NC(=O)C1NC2C[NH2+]CC21,0,GDB ChEMBL
210952,Cc1cc(=O)c2cc(Cl)c(Cl)c3c2c(n1)CC3,0,GDB ChEMBL
6122,CC([NH3+])CC(CCC[NH2+]C1CCCC1)NC=O,0,GDB ChEMBL
271146,CC(=O)OC1COC(=O)N(CCC=O)CC1O,1,GDB ChEMBL
259676,COC(=O)C1C2CC(O)C(CO)(C(=O)N2)C1O,0,GDB ChEMBL
278832,CC1CNS(=O)(=O)C1COC1CNC(=O)C1,0,GDB ChEMBL
28337,CCC1C(CCO)C1C1C[NH2+]1,0,GDB ChEMBL
122874,O=c1[nH]cncc1NCc1nc(CO)cs1,1,GDB ChEMBL
24483,CC[NH2+]C1CC1C(C)(NC(C)=O)C(=O)[O-],0,GDB ChEMBL
392751,CC(CC(=O)NC(=O)CO)C1C[NH2+]1,0,GDB ChEMBL
242922,[NH3+]CC1(C(=O)[O-])OCC2C(O)COC21,0,GDB ChEMBL
87127,CNC1C(N)C[NH2+]CCC1[NH3+],0,GDB ChEMBL
107853,CCC(CC(O)C[NH3+])C1(C)CC1,0,GDB ChEMBL
1938,CC1CCC(Cc2ccc(F)cc2F)C1(C)O,1,GDB ChEMBL
235602,CC(=[NH2+])NC(N)=[NH+]C1C(N)COC(CO)C1O,0,GDB ChEMBL
272565,C#Cc1cccc(C#C)ccc(CC)cc1,0,GDB ChEMBL
216210,Cc1[nH]cc2c(Cl)cc(CC3CCC3)cc12,1,GDB ChEMBL
249623,CC(NCc1cnn[nH]1)=[NH+]CCO,0,GDB ChEMBL
36028,CN(C)c1ncc(C(N)=O)n1C,1,GDB ChEMBL
133168,COC(=O)C1N=CNC1=O,1,GDB ChEMBL
50276,C#CC(C(C)[NH2+]C)C12CCCCC(CCC1)C2,0,GDB ChEMBL
262222,CC1C(O)CC=CC2CC2C1C(N)=O,0,GDB ChEMBL
119940,C#CC(C)c1c(C)cnn1CCCC,1,GDB ChEMBL
305363,Cc1ccscc(OC(C)C)c(C)c(N)c1C,0,GDB ChEMBL
180830,CC(CC[NH3+])C1(C)C=CC(=O)N1,0,GDB ChEMBL
337050,C#CC(C)(Cc1ccc(C)c(N(C)C)c1)OC,1,GDB ChEMBL
319813,CCCOC(=O)N1CS(=O)(=O)C1,1,GDB ChEMBL
9908,CCCC1CCCC1([NH3+])CC#N,0,GDB ChEMBL
90351,CCCC1CCC2=CCC=CC21C,1,GDB ChEMBL
337966,CC1C[NH2+]C(C)C(C#N)C1,0,GDB ChEMBL
264004,CC1NC(=O)C(C)(C(CO)CO)N(C=O)C1=O,0,GDB ChEMBL
352710,CCc1c(C)c(Cl)cc(C(C)(C)C)c1OC,1,GDB ChEMBL
40864,C#Cc1ccc(CCC(F)(F)F)c(Cl)c1CC,1,GDB ChEMBL
197251,NC(=O)N(C(N)=O)C(N)=Nc1cnc(O)nc1,1,GDB ChEMBL
274958,CC1=CC(=O)NC(C)C2(C)CNC(=O)OC12,0,GDB ChEMBL
210719,CCCC1(C[NH2+]C)C(O)C12CCCC2,0,GDB ChEMBL
257498,CCCC(C)C1(C)C=CCC(C)[NH+]2CC1C2,0,GDB ChEMBL
247520,CC1C([NH3+])C2(CO)CN1C2,0,GDB ChEMBL
280451,C#CC(NCC[NH3+])C1CN(C)C1=O,0,GDB ChEMBL
243931,CC1=CC2(CC[NH2+]C2)C(=O)C(C)=CCC1,0,GDB ChEMBL
131685,C#CC1C=C(C)CC(CC)C(C)[NH+](C)C1,0,GDB ChEMBL
352638,CC1(O)CC(CC(=O)C(N)=O)C[NH2+]CCC1=O,0,GDB ChEMBL
168450,N=C(N)NC(=O)CCOCC1COCOC1=O,1,GDB ChEMBL
359053,CN1CCNC(=N)NC(=O)C1(C#N)CC(N)=[NH2+],0,GDB ChEMBL
325757,C#CCc1cc(N)ccc1C=O,1,GDB ChEMBL
28303,CC1=CC=CC(CNC(=O)CO)=CC1,0,GDB ChEMBL
203859,COc1cc(C)cnc1OC(=O)CC(=O)[O-],1,GDB ChEMBL
210430,N#CC1(CO)[N-]C(=O)OC2CC21C[NH3+],0,GDB ChEMBL
210415,C#CC(CCC1C=CCC([NH3+])C1)OCC,0,GDB ChEMBL
20764,COC(=O)NCC#CCC[NH3+],0,GDB ChEMBL
202504,Nc1ccnc(C2(N)COC(=O)C2)n1,1,GDB ChEMBL
336045,CC(O)C(CCO)Cn1ncnc1S(C)(=O)=O,0,GDB ChEMBL
290010,CCCC1=CC(=O)CC1(CO)C(C)=O,0,GDB ChEMBL
191513,CCC(NCC1(C)OCC(O)C1O)C([NH3+])CO,0,GDB ChEMBL
334641,CC(CC(N)=O)n1nc(N)nc1N,1,GDB ChEMBL
347845,CC([NH3+])C(C[NH3+])(C(=O)[O-])C(O)C(O)C(N)=O,0,GDB ChEMBL
135422,CCc1cc2ncc3[n-]c4cnccc4c1c23,0,GDB ChEMBL
305985,CCCNC(=O)NC1CC2(C)CCC=C12,0,GDB ChEMBL
64669,CC1CC2NC(=O)CC1C(NC=O)C2[NH3+],0,GDB ChEMBL
273446,CC(O)C(C#N)NC(=N)CS(=O)(=O)[O-],0,GDB ChEMBL
103394,CC=CC1CC([NH3+])(CC)CC1[NH2+]C,0,GDB ChEMBL
354105,CCC(O)C1CCCC(C#N)NC(=[NH2+])C1,0,GDB ChEMBL
39926,COC1COCC([NH+](C)C)C1n1cccc1,0,GDB ChEMBL
334629,N#CC1(OC=O)CCCN(CC(N)=O)C1=O,1,GDB ChEMBL
77354,C=CC(=O)N1C(C)C2OC2C2CC21,0,GDB ChEMBL
116041,CC[NH+]=C(N)CC(=O)N(C)CC[NH+](C)C,0,GDB ChEMBL
397064,CCC1C2CCCC1(C)C(C)CC2(C)C,0,GDB ChEMBL
218551,Nc1nc2ccnc(N(C=O)C=O)n2n1,1,GDB ChEMBL
398877,CCCC#CCC=CCOCCO,1,GDB ChEMBL
109706,COCC1OC(C(C)OC(C)=O)COCC1=O,0,GDB ChEMBL
177059,CCC1C[NH+](C)C2CC=C(C=C1C)CCC2,0,GDB ChEMBL
324042,CCCC1CC(C#N)CC(C(CC#N)OC)C1,0,GDB ChEMBL
262522,CCCC1C2[NH2+]CC(CO)OC(C)C12,0,GDB ChEMBL
44660,N=C(N)S(=O)(=O)N(CCC[NH3+])CC(N)=O,0,GDB ChEMBL
35722,C#CC(C#C)C(N)C[NH2+]CCC1CCOC1,0,GDB ChEMBL
318811,C#CC1=CCC(CC)(CCC2CC2)C1,0,GDB ChEMBL
383960,CCC1CCC2CC=CC2(C)C1,1,GDB ChEMBL
160800,Cn1cc(O)c(C(F)(F)F)c1C1CCOC1,0,GDB ChEMBL
252604,CCC(C1C[NH+]1C)C(C)(C)C[NH3+],0,GDB ChEMBL
231131,CC(CC1([NH3+])COC1)OC(C)(C)C,1,GDB ChEMBL
153234,CCC(=O)OC1C2(C)CC(C(=O)O2)C1([NH3+])CO,0,GDB ChEMBL
281661,CC1C([NH3+])C1(N)C(N)(C#N)CCNC(N)=[NH2+],0,GDB ChEMBL
284417,CC1C(=O)OC2(C[NH3+])C(NCC(=O)[O-])C12N,0,GDB ChEMBL
129453,OC1C[NH+]2CC3CCC(O)C2C13,0,GDB ChEMBL
227590,CCC(C)C1=CCCOC(=O)C1(C)C=O,0,GDB ChEMBL
254936,CC(=O)N1CCCCCN2C(=[NH2+])CC(=O)C2C1,0,GDB ChEMBL
382082,NC1=NC(CO)C(CCC(O)C([NH3+])C(=O)[O-])O1,1,GDB ChEMBL
255994,CC=C1C2C=CC1c1ccccc12,0,GDB ChEMBL
203765,CCC1C=CC2CC(C)C(C(=O)C1)[NH+](C)C2,0,GDB ChEMBL
389349,C[NH+]=CN(C)CCC(CC[NH+](C)C)COC,0,GDB ChEMBL
390086,OCC1CC23CC[NH+]4CC2C3CC14,0,GDB ChEMBL
177048,O=CN(C=NCC(=O)[O-])CC(=O)[O-],0,GDB ChEMBL
132413,CC(O)C1(C)C(C)CC[NH2+]C2COCC1C2,0,GDB ChEMBL
77333,CCC1C(=O)OC(S(N)(=O)=O)C1(O)C[NH3+],0,GDB ChEMBL
129613,NCC(=O)N1C(=O)NCC2(CO)OCOCC12,0,GDB ChEMBL
4764,NC(=O)CNc1cn[nH]c1CO,1,GDB ChEMBL
17614,C#CCN1CC[NH2+]CC2(C)C(C)C(=O)C(O)C12,0,GDB ChEMBL
83503,CCC(O)c1c(Cl)cc(C)c2[nH]ccc12,1,GDB ChEMBL
174300,CNC(=O)CNc1cc(N)ns1,1,GDB ChEMBL
84457,Clc1cc2c(nn1)C1CCC(CC2)CC1,0,GDB ChEMBL
264028,CCCC(C)C(C[NH2+]CC)CC1(C)CCCC1,0,GDB ChEMBL
132267,C[NH2+]CCC1C(=O)C(O)C1NS(C)(=O)=O,0,GDB ChEMBL
204574,CN1CC(=O)N2C(=N)C(O)C(O)C([NH3+])CC2C1,0,GDB ChEMBL
157085,CC1CC2C[NH+]3CC2(C)CC13,0,GDB ChEMBL
210293,CC(=O)OCC1CC1(O)C(=O)[O-],0,GDB ChEMBL
301486,CC1C2OCCC[NH+]1C1CC21,0,GDB ChEMBL
29716,CN(CCCO)CC[NH+]=C(N)n1ncnc1N,0,GDB ChEMBL
284875,CC1OC2C(COS(N)(=O)=O)CC1C2[NH3+],0,GDB ChEMBL
80201,NS(=O)(=O)OC1CC(O)CC1NC=O,1,GDB ChEMBL
100710,CNC(=O)C1=C2C=CCOCC(C2)C1,0,GDB ChEMBL
198825,N#CC(CC(O)CS(N)(=O)=O)C(=O)[O-],0,GDB ChEMBL
239094,N=CNC(=O)CCC(CO)CO,1,GDB ChEMBL
78654,CC(=NO)C1(C)CCC[NH+](C)C1,0,GDB ChEMBL
390545,CN1CC2CNC(=[NH2+])N2C(C(=O)[O-])C1,1,GDB ChEMBL
111529,[NH3+]Cc1cc(Cl)cn2c(=[NH+]CCO)[nH]cc12,0,GDB ChEMBL
269199,O=C([O-])CNC1CC(O)C2CC1[NH2+]C2C(=O)[O-],0,GDB ChEMBL
353549,CC1CC(C)(C)CC2C(C)CCCCC12,0,GDB ChEMBL
79620,C#CC[NH2+]C1C2C(C[NH3+])CCC(C2C)C1(C)C,0,GDB ChEMBL
280764,C#CCc1cc(CC)cc(N(C)C(C)C)c1F,1,GDB ChEMBL
215658,C#Cc1scc(NCC2CC2)c1CO,1,GDB ChEMBL
328852,C=CCCCCC1C=C(C)C=CC1,0,GDB ChEMBL
349932,CCC1CC=CC(O)(CCCC[NH3+])C1O,0,GDB ChEMBL
289382,CC1CC2=C(C(CO)[NH2+]C2)N1C(N)=[NH2+],0,GDB ChEMBL
51887,O=C1CC(CO)C(O)C2C(=O)OCOCC2N1,0,GDB ChEMBL
112662,CC(=N)N1C=CC(=O)NC(=O)CC(O)C1=O,1,GDB ChEMBL
355129,CCC12C[NH2+]C(C1)C1COC(C)CC12,0,GDB ChEMBL
203615,C#CC(CCCC)C1CCC(C)(C)C1CCC,0,GDB ChEMBL
182258,CC[NH+]1CCC=CC(C2CC2)C1,0,GDB ChEMBL
300726,O=C1NCCN2C1C(CO)COS2(=O)=O,0,GDB ChEMBL
152519,CC[NH+]1CCC2CC1C(C)=C(C)C2=O,0,GDB ChEMBL
12763,[NH3+]CCC1CN(C=O)C(=O)N1,0,GDB ChEMBL
81436,CCCCOc1ccn2c(I)ccc(CC)c12,1,GDB ChEMBL
288566,CC(C)C1C(C)C2CCCC(C)(C)C1C2,0,GDB ChEMBL
248613,CNC1(CNC(=O)CO)C[NH+]=C(N)C1C(=O)[O-],0,GDB ChEMBL
11269,CCC1CC(C)C2(C)CC=CCC=C12,0,GDB ChEMBL
48746,[NH3+]C1C(=O)NC2CCC2C(O)C1O,0,GDB ChEMBL
175515,CNC(=O)NC(=O)c1ncn(C)n1,1,GDB ChEMBL
307913,CC(C)C1(C2CCCC2)CCC1,1,GDB ChEMBL
350946,C#CCC(C)C1C(COC(C)C)C[NH2+]C1(C)C,0,GDB ChEMBL
6119,Cc1cc(Cl)cnc1C[NH3+],0,GDB ChEMBL
104747,C1=CC=CCCOCCC=C1,1,GDB ChEMBL
144602,NC(=O)Nc1c(N)cc(O)nc1O,1,GDB ChEMBL
332704,CC1CC(O)C2C(C[NH3+])CC3C1C32,0,GDB ChEMBL
387042,C#CCC(CC)C1Cc2cscc2C1,0,GDB ChEMBL
228919,CC1[NH+]=C(N)C(CC[NH3+])C1C(C)(C)O,0,GDB ChEMBL
204366,CCc1c(C)c(N)[nH+]c2c1NCC2C,0,GDB ChEMBL
188535,CC(C#N)NC1=NC2(CO)CCCC2O1,1,GDB ChEMBL
141771,C[NH+](C)CCC(=O)C#CCOC1CCC1,1,GDB ChEMBL
227250,COC1CC(C[NH2+]CC(C)C)N(C)C1,0,GDB ChEMBL
161915,COC1CCC2C([NH3+])C(C)(C)CC2(C)C1,0,GDB ChEMBL
383952,CC1COC2C([NH3+])CC(C)C2C1,0,GDB ChEMBL
195282,COCC(C(C#N)N(C)C)N1CC(=O)C(O)C1,1,GDB ChEMBL
112604,CCS(=O)(=O)[N-]c1nnc(CCO)c(Cl)n1,0,GDB ChEMBL
171836,CC12CCCC(=O)OCC=C1CC(N)=[NH+]2,0,GDB ChEMBL
20110,C#CC1CC(C)(C)CC1[NH+](C)CCC,0,GDB ChEMBL
292329,CNC(=O)C(=O)C1CC(C=O)S(=O)(=O)N1,0,GDB ChEMBL
94697,CCC(CC)c1c(Cl)cc(C)c(C)c1N(C)C,1,GDB ChEMBL
5206,C=Cc1cnc(C#N)cc1S(N)(=O)=O,1,GDB ChEMBL
213974,C#CC1(C(N)=[NH2+])NC2CCNC(=O)C1C2,0,GDB ChEMBL
77324,C#CCc1c(F)c(CC)c(F)c(C)c1CCC,1,GDB ChEMBL
156057,CCC(O)C1OC(COCC(N)=O)C1=NO,1,GDB ChEMBL
273841,[NH3+]CC(CO)OCC([NH3+])C(=O)[O-],1,GDB ChEMBL
127463,O=C1OCC(NC2=[NH+]C(CO)C(O)CN2)C1=O,0,GDB ChEMBL
112656,CC12CC(=O)OC(CNC(N)=O)C(CO1)C2,0,GDB ChEMBL
328955,C[NH2+]C1CC1c1coc(C[NH3+])c1,0,GDB ChEMBL
19642,C[NH2+]C(C)(C)CCCCC(O)C[NH3+],0,GDB ChEMBL
263159,CC1C(=O)NCC(C#N)CN1c1cc[nH]c1,0,GDB ChEMBL
28329,CC1C(C(=O)[O-])C1C1C[NH2+]C1,0,GDB ChEMBL
41632,CC(O)C1C2OCC1(C)OC2C(=O)[O-],0,GDB ChEMBL
155795,C#CC(CCC(=O)C(C)(C)C#N)CC(C)OC,0,GDB ChEMBL
26315,C[NH2+]C1C2CCCC(C)OC21,0,GDB ChEMBL
124831,CC#CC(c1cccc(F)c1)C(C)(N)C[NH3+],0,GDB ChEMBL
102284,CC1(C)CC(O)CC(C(CO)CC#N)O1,0,GDB ChEMBL
216494,CCC1(C)CC2CCC(=O)CC2CC1C(C)C,0,GDB ChEMBL
247507,CCC1CC2CC(C1)C1C=CC2[NH2+]1,0,GDB ChEMBL
13898,CCC12CC1(C)C1CCC2CCC[NH2+]1,0,GDB ChEMBL
31782,CCC12CC(C)CC(C1)[NH+](C)C(CN)C2(C)O,0,GDB ChEMBL
130647,CC1C=C(CC2CCCCCCC2)CCC1,1,GDB ChEMBL
345720,CCC1C(C)CCCCC2CCCC(C)(C)C21,0,GDB ChEMBL
160850,CCc1ccc(I)c(N2CC(C)C2C)c1,1,GDB ChEMBL
124812,CC1=CC=CCC(C)(C)C1,1,GDB ChEMBL
361195,NC(CC[NH3+])C([NH3+])(CO)C(=O)[O-],0,GDB ChEMBL
280617,CC(C(=O)[O-])C1(C#N)OC(=O)NCC1CO,0,GDB ChEMBL
34275,CCC1(C)CCCC(C(C)C)CC1,1,GDB ChEMBL
23913,CCC1C(CC[NH2+]C)C[NH+]2CC1C2,0,GDB ChEMBL
398751,CCCCC(=[NH2+])NC=NC(CO)CC(C)C#N,0,GDB ChEMBL
17641,CCC(CC)C(C)Nc1c[nH]c(C(F)(F)F)c1,1,GDB ChEMBL
38708,COCc1onc(NCC#N)c1C#N,1,GDB ChEMBL
362701,N#CCC1NC(=O)C[NH+]=C1NCC[NH3+],0,GDB ChEMBL
362198,C[NH2+]C(C)C12CC(C)C(CC(C)(C)O1)C2,0,GDB ChEMBL
250588,CCC1C(C)C=CC2C#CCCCCCC21,0,GDB ChEMBL
280331,CCCC(=O)C(C)C(O)CC,1,GDB ChEMBL
73245,CC1C(CC[NH3+])C(C)N2C(=O)CC3CC3C12,0,GDB ChEMBL
301457,CCC#Cc1cc(C)c(I)cc1C,1,GDB ChEMBL
305587,CCC(=O)NCC1=NCC(=O)N1,1,GDB ChEMBL
278173,CC1=CCC2CCCCOCC=C2C12CC2,0,GDB ChEMBL
291473,CCC(C(N)=[NH2+])C1OC(=O)C(C=O)C1O,0,GDB ChEMBL
76809,CC(=N)N1C(=O)C(C)OC1=NCC#N,1,GDB ChEMBL
37152,CCCC(C)C1C=CC(C)(O)C1(C)CCC,1,GDB ChEMBL
153212,CC1CC(c2ccnc(O)c2)CCC[NH+](C)C1,0,GDB ChEMBL
162914,C#CCN(c1cnn(CC)c1O)C(C)CC=O,0,GDB ChEMBL
334601,C[NH2+]CC1CCC(C=O)NC(=O)C(=O)C(N)=N1,0,GDB ChEMBL
95222,C#Cc1c(C)cc(NCC=O)c(F)c1F,1,GDB ChEMBL
284735,CC1=C(CC(N)=O)C[NH2+]CC(C)(C(C)C)C1,0,GDB ChEMBL
366726,COCC(=O)N1C2CC(C)(O)C(C(N)=O)C21,0,GDB ChEMBL
141939,O=C1CC(=NO)C(C(O)CO)O1,0,GDB ChEMBL
274637,C[NH2+]C(C)CC1[NH2+]CC2CC21,0,GDB ChEMBL
67632,N#CCC(=O)[N-]C1CNC1=[NH2+],0,GDB ChEMBL
391595,C#CCC(CC)OC(=O)C(C)C1CCCCO1,1,GDB ChEMBL
220160,CCCC(CC)C(C)c1c(C)cc(I)cc1I,0,GDB ChEMBL
44635,[NH3+]C(CO)Cn1nnc2cc(F)ncc21,1,GDB ChEMBL
6041,COC(C(C)C)C1C([NH3+])C(NC(N)=O)C1[NH3+],0,GDB ChEMBL
393574,CC1CC(C2OCC([NH3+])C2C(=O)[O-])NS1(=O)=O,0,GDB ChEMBL
256149,CCS(=O)(=O)N1CC(=O)N(C2COC2)C1=N,1,GDB ChEMBL
386472,O=CN1C(=O)OC2CCCC21,1,GDB ChEMBL
269183,CCC1([NH3+])CN(C)C(=O)C=C1C,0,GDB ChEMBL
183429,O=C([O-])CC1CC(=O)C(=O)CO1,1,GDB ChEMBL
108732,C=CCNc1nc(O)cc(F)c1N,1,GDB ChEMBL
79511,CC12C3CCOC1C2C(=O)N3,0,GDB ChEMBL
76369,COCCc1cncn2nnc(N)c12,0,GDB ChEMBL
304393,CCC1C[NH2+]CC2=C(C1)NC(=O)C2(C)N,0,GDB ChEMBL
190805,NC(=O)N1C(=O)C2C=CC(O)C(O)C21,0,GDB ChEMBL
109776,[NH2+]=C1NC2CC1C(C(=O)OCCC(=O)[O-])C2=O,0,GDB ChEMBL
280669,CCC1(C)C(=O)c2c(C)cc(Cl)nc2C1C#N,0,GDB ChEMBL
257438,COCC#CC(COC)CC(=O)OC,0,GDB ChEMBL
33203,CC1=CC([NH+](C)CC(=O)[O-])C(O)CC([NH3+])C1,0,GDB ChEMBL
79359,CC1=CCC(C)(C[NH3+])C(C)C1,0,GDB ChEMBL
288572,C#CCNc1onc(C)c1CC,1,GDB ChEMBL
235969,CC1CC(C(N)=O)C2C([NH3+])C2(O)C1,0,GDB ChEMBL
279963,C#CCCc1ncc[nH]1,1,GDB ChEMBL
336036,COC1[C-]2C(=O)OC1(C)C2(C#N)[NH+]=C(N)N,0,GDB ChEMBL
28998,[NH3+]C1C(O)C2CC1N1C(=O)NCC21,0,GDB ChEMBL
115153,C1=CCC=CCC(COC2CCC2)=C1,1,GDB ChEMBL
271039,C[NH2+]C1CC(O)CC(C)C(O)C12CN=C(N)O2,0,GDB ChEMBL
233410,CCNC(=O)Cc1ccc(I)c(CC)c1NC,1,GDB ChEMBL
61560,CC(=O)NCC(CC[NH3+])c1cc(C(N)=O)n[nH]1,0,GDB ChEMBL
305488,CNC(=O)C1OC1C([NH3+])C(N)=O,0,GDB ChEMBL
240484,CCCC1([NH3+])C2CCC(C)[NH2+]CCC21C,0,GDB ChEMBL
189847,CCC1(C(=O)NC)C(=O)CC(=O)C=C1C,0,GDB ChEMBL
378238,CC[NH2+]CC1NC2CC2C(CC)C1C,0,GDB ChEMBL
349966,CCc1cc(C(C)CC)c(C)[nH]1,1,GDB ChEMBL
275493,CC1CCC([NH+](C)C2CC2C)C1,0,GDB ChEMBL
190088,CC1CCN(CS(N)(=O)=O)C1=O,1,GDB ChEMBL
93778,C#CCC1C(C)C(C)C(CC(C)CC)C1(C)C,0,GDB ChEMBL
362988,C[NH2+]C1C(C[NH3+])C1OCc1cc[nH]n1,0,GDB ChEMBL
288906,C[NH+](C)CCN1C=C(C(=O)[O-])CC1=O,0,GDB ChEMBL
148379,CC(N)=[NH+]c1cnc(C)cc1C1CC1C,0,GDB ChEMBL
3770,CC12C3CCC1C2CC1CC[NH+](CC1)CC3,0,GDB ChEMBL
247580,CCC1N(CC)C2C(O)C=C(C(=O)[O-])C12[NH3+],0,GDB ChEMBL
41164,CNC1(C(N)=[NH2+])CC1CCCOC,0,GDB ChEMBL
210196,CC1CCCCOC(C(=N)N)O1,1,GDB ChEMBL
281184,CCCCC(C)C1[NH2+]CC2C3CC=CC1C32,0,GDB ChEMBL
127635,CC(CO)C(CCNCC#N)C1OCCCO1,0,GDB ChEMBL
252662,CNC(=O)C(C)(O)C(=O)C[NH2+]C,0,GDB ChEMBL
322891,CN=C(Cn1c(C)cc(C)c1C(C)(C)O)OC,1,GDB ChEMBL
303922,CCOC1C2[NH+]=C(N)NCC21O,0,GDB ChEMBL
347885,C#CC1CC(C)(OC)C(O)C1O,0,GDB ChEMBL
31274,COCC(C#N)Cc1sc(O)nc1CCC#N,0,GDB ChEMBL
70175,C#CCCCC1CCCC(C(C)(C)C)CC1C,0,GDB ChEMBL
325691,CCC1CCC(CCC2CN2CC)C(C)C1,0,GDB ChEMBL
111587,[NH2+]=C1C2CN1CC(C(=O)[O-])OCCN2,0,GDB ChEMBL
314945,CC1C(CC(=O)[O-])NS(=O)(=O)OC1C[NH3+],0,GDB ChEMBL
310774,CCCC#CC(C)(C)[NH2+]C(C)C,0,GDB ChEMBL
55507,CCC(O)C1CN1C(C)C[NH3+],0,GDB ChEMBL
284389,CCC(=O)c1cnc(O)n1CC#N,1,GDB ChEMBL
173696,C#CCC1=CCC(CO)[NH+](C)C1,0,GDB ChEMBL
76790,[NH3+]C1CCN(c2c[nH]c3c2OC(=O)CNC3)C1,0,GDB ChEMBL
84871,CC1C[NH2+]CC1CC(C[NH3+])C(C)(C)C,0,GDB ChEMBL
239363,CNc1c(C(=O)[O-])cn(CC#N)c1C(N)=O,0,GDB ChEMBL
246983,CCCc1cc(Br)c2c(c1C)C=CCC2,1,GDB ChEMBL
6547,CNC(=O)CCOC1CC=CC1,1,GDB ChEMBL
45905,C[NH+]=CN1CC(O)C2C1C(N)CN2C(=O)CO,0,GDB ChEMBL
287374,CCC[NH+](C)C(C)(C)C(C)OC,0,GDB ChEMBL
153238,[NH2+]=C1NCCOC(CO)C(CO)CO1,0,GDB ChEMBL
80284,CC12CC(c3ccc(F)cc31)C21C=CC[NH2+]1,0,GDB ChEMBL
101908,C#Cc1c(C)cc(CCC(C)C)cc1I,1,GDB ChEMBL
342583,CCc1c(C)[nH+]c2c(c1N)C1CC1N2,0,GDB ChEMBL
388249,CCCC1CCCC(C)C1CC(C)C(F)(F)F,0,GDB ChEMBL
179989,CC(CO)NC(C[NH2+]CC(=O)[O-])C(C#N)=N[O-],0,GDB ChEMBL
332338,CC1CC2C3C=CC2C3CC[NH2+]1,0,GDB ChEMBL
47705,NC(=O)CCC[NH+]1CC2CC21,0,GDB ChEMBL
89154,CC1[NH2+]C(C(N)=O)C1C(O)C(O)CO,0,GDB ChEMBL
9824,CC1CCCC(C2(C)CCCC2(C)O)C1,1,GDB ChEMBL
254218,CC1C[NH+]2CC(O)CCC2(CO)C(C)O1,0,GDB ChEMBL
70940,C[NH2+]CC1CCCC2(CCOC2C)C(=O)NC1,0,GDB ChEMBL
221333,C=C(C)Cc1cscc1CC(N)=O,1,GDB ChEMBL
122854,CCC1COC2(CCCC2[NH2+]C)C1,0,GDB ChEMBL
204383,CCC1=CC(=O)N(C)CC(C(C)C)OC1,1,GDB ChEMBL
250576,C#CC1(CC)CC1c1cc(C)cc(I)c1,0,GDB ChEMBL
245870,CCC(C#N)(CO)C(F)(F)F,1,GDB ChEMBL
375522,CC1C2OCCCC12C1CC(O)C[NH2+]1,0,GDB ChEMBL
127280,CCc1cccc(C2C3CCCC2OC3)c1Br,1,GDB ChEMBL
397077,CC(C)(O)CC1[NH2+]CC1(N)C(O)CCO,0,GDB ChEMBL
244600,CC(C1CC1C[NH+](C)C)C1[NH2+]CC1O,0,GDB ChEMBL
335473,CCC(OC)C([NH3+])C1CN=C(OC)N1C=O,0,GDB ChEMBL
343257,C[NH2+]CC1Cc2c(O)ccn2CC1=NO,0,GDB ChEMBL
139838,CC1CC=CC2C1C2C1CCCC[NH2+]1,0,GDB ChEMBL
61953,CC1(C)CC(=N)NC(=O)N1,0,GDB ChEMBL
192588,NC(=O)C(O)(C(=O)NC=O)C(O)CC[NH3+],0,GDB ChEMBL
338962,N#CCC1NC2C(=O)NC1C1CC21,0,GDB ChEMBL
112094,CC1(C)CC(CO)=CC1CC[NH3+],0,GDB ChEMBL
304847,CC1CCN2C(=[NH2+])C(N)C(O)C12,0,GDB ChEMBL
304370,CC(C)(C)CCC(N)=[NH+]C(C)(C)C(=O)[O-],0,GDB ChEMBL
313312,CC#Cc1ncc2ccc(Br)cc2c1CC,1,GDB ChEMBL
159915,CC1(C(CO)CC#N)OC1C[NH3+],0,GDB ChEMBL
203511,C[NH2+]C(CCO)C1OC1C(C)O,0,GDB ChEMBL
317596,C[NH2+]C1CC(CCC2CC2)CC1OCCO,0,GDB ChEMBL
40267,CCc1cccc2c1CC1CC2C(C)C1(C)C,1,GDB ChEMBL
6820,CC1(Cc2nc(N)cc(Br)c2CC[NH3+])CN1,0,GDB ChEMBL
136695,CCC(C1CC=CC1)C1(C2CC2)CC1,0,GDB ChEMBL
20099,O=C1OC2CCC(CC2)O1,1,GDB ChEMBL
311309,Nc1cccc2c1c(I)cc1ccccc12,1,GDB ChEMBL
151073,COC(=O)C(CC(OC)C(C)O)=N[O-],0,GDB ChEMBL
119995,Nc1c(Cl)ncc(C[NH3+])c1CC[NH3+],0,GDB ChEMBL
262227,CC1Cc2c(ccn2C)C1(O)CC1C[NH2+]C1,0,GDB ChEMBL
379856,CC(Cn1cccn1)c1cccs1,1,GDB ChEMBL
76381,COC(=O)C1(CO)C(=O)NC(C(N)=O)CC1[NH3+],0,GDB ChEMBL
354328,CC1=CC(c2cccc(Br)c2)C2(CC2)C1,1,GDB ChEMBL
77369,CCN1C(C)C([NH3+])(CO)C1C,0,GDB ChEMBL
391432,N=C1COC(=O)NCCCO1,1,GDB ChEMBL
189891,COCc1sc2ncc(F)cc2c1C#N,1,GDB ChEMBL
28977,CNS(=O)(=O)C1OC(CO)C(O)C1OC,0,GDB ChEMBL
315238,CCC1CC2C(C)C(C1)C1CCC=CCC21,0,GDB ChEMBL
391737,CCNC1C([NH3+])C(C(=O)[O-])C([NH3+])C1O,0,GDB ChEMBL
215410,C[NH2+]C(C)C1CC(CO)C1[NH3+],0,GDB ChEMBL
304109,CN=C1NC(C(CO)OC)CNS1(=O)=O,0,GDB ChEMBL
172336,CC[NH+]1C(C)C2C(N)C1CN2C,0,GDB ChEMBL
301461,C#Cc1c(C#N)cn(C(N)=O)c1C(N)=O,1,GDB ChEMBL
311689,C#Cc1cc(C2([NH2+]C)CC2)c(F)c(C)c1F,0,GDB ChEMBL
254993,CCOCc1ncn2c(N)cc(Br)cc12,1,GDB ChEMBL
243799,CCc1c(F)ccc2c1C(C)CCC2C,1,GDB ChEMBL
195290,CCC1OC(C)CC1CC(C)C,1,GDB ChEMBL
174270,CC(=O)CCCCCCCCC(C)C,1,GDB ChEMBL
204307,[NH3+]CCC([NH3+])CCC1C[NH2+]1,0,GDB ChEMBL
268149,CC1Nc2nc1c(C[NH3+])cnc(=O)ccs2,0,GDB ChEMBL
119270,O=C(CCO)N1CC[NH2+]CC1,0,GDB ChEMBL
172732,NC(=O)CC1NC(CO)C(N)C(N)C1[NH3+],0,GDB ChEMBL
316270,O=Cc1ccn(CC2[NH2+]CC2CO)n1,0,GDB ChEMBL
222894,Cc1cccc2c1C(C)C(C)CC(C=O)OC2,0,GDB ChEMBL
100685,CCC1(C[NH2+]C)CNCC[NH+]1C(C)(C)C,0,GDB ChEMBL
298184,CCOC(C)Cc1cscc1O,1,GDB ChEMBL
319323,CC(O)C(CC[NH3+])(CC(=O)[O-])OC=O,1,GDB ChEMBL
275671,CCCC1(O)CC2CCC1C2CC(C)O,1,GDB ChEMBL
302597,CC(O)(CC[NH3+])C1C2OC(=O)CC21CCO,0,GDB ChEMBL
353250,CC(C)(C[NH3+])C(C#N)CO,1,GDB ChEMBL
332442,CCCC1C(CC)CC2CCCC1(C)C2,0,GDB ChEMBL
73259,CCCS(=O)(=O)N1CC=CC2(O)C(O)CC12,0,GDB ChEMBL
153734,CCC1CC=CC2C(C1)C1C=CC2C12CC2,0,GDB ChEMBL
308267,CC(C#N)C(C=NO)(CC(=O)[O-])C(O)CO,0,GDB ChEMBL
190383,CC1OCC2([NH3+])C(C(=O)[O-])CC(CC#N)C12,0,GDB ChEMBL
209694,CC1[NH2+]CC(C)(O)C1(C)CC[NH+](C)C,0,GDB ChEMBL
363781,C[NH2+]C1C2OC(=O)C(N)C(O)CC12O,0,GDB ChEMBL
37609,N#CC1C2(NCC(=O)[O-])CCC2NS1(=O)=O,0,GDB ChEMBL
1951,CCCc1cc(OCC)c(C(=O)[O-])c(=[NH2+])n1C,1,GDB ChEMBL
360851,CCC(=O)N1CC(c2csc3ncnn23)C1,1,GDB ChEMBL
323195,Cc1cc(C)nc(C2(O)Cc3cccn3C2)c1,1,GDB ChEMBL
250540,CC1CC2(C)OC(=O)OC1C[NH2+]C2C(=O)[O-],0,GDB ChEMBL
222888,O=C([O-])CC(=O)Nc1nc(O)ns1,1,GDB ChEMBL
348443,CCC1=CC(OC)C(CS(N)(=O)=O)C1,0,GDB ChEMBL
195255,COC1C(C)C2OC(C)CC1(O)CC2[NH3+],0,GDB ChEMBL
393515,CCc1cc(Cl)c2c(n1)CNCC(C(C)=O)O2,1,GDB ChEMBL
197243,CC1C2C[NH2+]C(CC2CO)C2COC(=O)NC12,0,GDB ChEMBL
42618,COC1CC(C)(O)C2C[NH2+]C3CC(C3)C12,0,GDB ChEMBL
179488,CCC(O)C1C[NH+]=C(N2CC2)C1,0,GDB ChEMBL
344273,CCOCc1c(S(N)(=O)=O)nsc1C[NH3+],0,GDB ChEMBL
164651,CC1CN2C(CO1)C2C(C)C,0,GDB ChEMBL
333653,C#Cc1c(N)cc(O)ccc(OC)n(C)c1C,0,GDB ChEMBL
295862,CC1(C)C=C(C(N)=O)CC=CC[NH2+]1,0,GDB ChEMBL
35022,[NH3+]C1C(O)C(O)C2NC(=O)CNS(=O)(=O)C12,0,GDB ChEMBL
362669,CCCC(C)C1C2OC2CC1(C)CO,0,GDB ChEMBL
354831,CNC(=O)C1C([NH3+])C(C)N1C,0,GDB ChEMBL
348440,CC1CC([NH+](C)C)CC2(C=O)CC(=O)C=C12,0,GDB ChEMBL
282211,C#Cc1c(O)c(C)c2n1CC(CC)N2CC,0,GDB ChEMBL
35713,CCC(C)Nc1cc(C=O)no1,1,GDB ChEMBL
238591,CC(C[NH+](C)C)c1ccc(C2CCCC2)cn1,0,GDB ChEMBL
166417,C#CC1(C)CC([NH2+]CC)CCCc2nccn21,0,GDB ChEMBL
344359,CC1(C#N)CCC(=O)CC1,1,GDB ChEMBL
262291,CC(C[NH3+])NS(=O)(=O)CC1CC1C,0,GDB ChEMBL
17560,CC[NH2+]C12CC(O)C(=O)C(C1)C2(C)OC,0,GDB ChEMBL
259460,C#CC1C(C(C)C)C2C=CC1[NH+]2CC(C)O,0,GDB ChEMBL
146935,COCCC12CC(O)CC1(C#N)N2,0,GDB ChEMBL
353572,CCc1cc2c(c(O)c1Cl)OCC(CO)C2,1,GDB ChEMBL
274867,CCC(O)(CCOC)C(CO)[NH2+]C,0,GDB ChEMBL
23925,Cc1nc(CC(C)(C)C[NH3+])cs1,0,GDB ChEMBL
283433,CC(N)=[NH+]Cc1nccc(N)n1,0,GDB ChEMBL
50338,CCc1c(C(=O)NC)ncc(Br)c1CO,1,GDB ChEMBL
334439,CC(CCCO)C1CC(=O)C1,1,GDB ChEMBL
280735,N=c1nc(CCNC(=O)CO)[nH]c2sccc12,0,GDB ChEMBL
17447,O=C([O-])C1(CO)CCCC1,1,GDB ChEMBL
204520,C#CCOCC#CC(=O)Nc1cncnn1,1,GDB ChEMBL
258226,C[NH2+]C1C2C(O)CC(C)(CO)C12,0,GDB ChEMBL
361147,CCC1NS(=O)(=O)C(C)C(O)(CO)C1C[NH3+],0,GDB ChEMBL
149376,COC1C(N)C[NH2+]C1CS(=O)(=O)[O-],0,GDB ChEMBL
172717,Cc1nc2ccc3[nH]c(=O)oc3c2nc1C#N,1,GDB ChEMBL
157750,CC1OC2(C)C[NH2+]CC1C2,0,GDB ChEMBL
391290,C#CC(OC)C1CCC(CC)CC1,1,GDB ChEMBL
87032,C#Cc1ncc(COC)nc1C([NH3+])CO,0,GDB ChEMBL
250553,CC1CC(C)(C)C2CC1[NH+](C)CC1CC12,0,GDB ChEMBL
240813,C[NH2+]Cc1c(F)ncc(C)c1OCCCC[NH3+],0,GDB ChEMBL
62792,NC(=O)N(CC(=O)[O-])CC1([NH3+])COC1,1,GDB ChEMBL
248599,CCOCCC1CC(=NO)C(=O)C1CCO,0,GDB ChEMBL
396095,NC(=[NH2+])Nc1cn(CC23C[NH2+]C(C2)C3)cn1,0,GDB ChEMBL
234283,CC#CC(C#CC)C(=O)CCC,1,GDB ChEMBL
150539,NC(=[NH2+])C(N)C1C[NH2+]CC(O)C(=O)O1,0,GDB ChEMBL
390482,COC1CCC([NH3+])CC(O)C2(C)CN2C1,0,GDB ChEMBL
304355,COC1CCC(C)=CC1O,1,GDB ChEMBL
382998,C#CC1=C(C)CCCCC(C)C1[NH2+]C,0,GDB ChEMBL
71302,C#CCCC1(C)CCCC(CCCC)C([NH3+])C1,0,GDB ChEMBL
258319,C#CC1=CC2C(CO)CC(C)C2(C)C1,0,GDB ChEMBL
9735,CCC(C#N)c1cc(Cl)c2cncn2c1,1,GDB ChEMBL
111914,CCCC1CCC(C(C)C)C(C(C)C)C1CC,0,GDB ChEMBL
111590,CCCC1CC[NH+]2CC1C1OCOCCC12,0,GDB ChEMBL
62590,COC(C)=NCCNC(C)C#N,1,GDB ChEMBL
150089,C#CCc1ccc(I)c(C)c1CC(C)OCC,1,GDB ChEMBL
77340,Cc1ccsc(C)c2c(=O)c(cc1O)N(C)C2,0,GDB ChEMBL
360801,CCC1[NH2+]C(C(CO)C(C)C[NH3+])C1O,0,GDB ChEMBL
179504,COC1C(=O)CCC2N(C)C12C(C)C,0,GDB ChEMBL
38550,CC[NH+](C)CCC#CC1=CCCC1=O,0,GDB ChEMBL
112633,COC1C(CO)[NH2+]CC1(C)CO,0,GDB ChEMBL
85023,CCCC1C=C(C)C(C)(CC)C(C(C)C)C1,0,GDB ChEMBL
259714,Nc1nc(N)c(=O)c(CC[NH3+])c([O-])[nH+]1,0,GDB ChEMBL
856,CC(C)CC(C)C1(C)CCCC(C(C)C)C1C,0,GDB ChEMBL
280471,C[NH2+]CC(O)CC1COCC(=[NH2+])N1,0,GDB ChEMBL
204619,C#CCC(C)(CC(C)C(C)C(C)OC)C(C)=O,0,GDB ChEMBL
81071,CC1CCCCC2CC(C)([NH3+])CC2C1C,0,GDB ChEMBL
105127,C[NH2+]CC1OC2CC([NH3+])CC1O2,0,GDB ChEMBL
363791,CC1(O)COC1C(NC=O)C(=O)C(N)=O,0,GDB ChEMBL
98584,NC(=[NH2+])CS(=O)(=O)NCC([NH3+])CCO,0,GDB ChEMBL
358952,CCC12CCCC1CC1(C2)[NH2+]CCN(C)C1C,0,GDB ChEMBL
81530,Cc1sccc1Cc1ccc(I)cc1,1,GDB ChEMBL
331697,CN1CC([NH3+])C2(C)OCC(O2)C1C(N)=O,0,GDB ChEMBL
366941,C=CC1=C(C)CCCC(CCC)C1,1,GDB ChEMBL
97134,CN(CC#N)CC(=O)NCc1ncc(O)n1C,1,GDB ChEMBL
271584,[NH2+]=C1NC(C(=O)[O-])CN1c1cnc(=[NH2+])[nH]c1,0,GDB ChEMBL
156195,COC12C3OC(=O)NCC1C2(O)CC3[NH3+],0,GDB ChEMBL
188077,N#CCNC(CO)=NCC(N)=O,0,GDB ChEMBL
302490,COC1CC(O)C2OCCC12C([NH3+])CCC#N,0,GDB ChEMBL
165605,CC(C)(C)C1CCC(=NCCO)OCCC[NH2+]1,0,GDB ChEMBL
235987,C#CCCNC1C(=O)OC(C[NH2+]C)OC1C,0,GDB ChEMBL
223549,CC1[NH2+]C2CNC1CC2(C)O,0,GDB ChEMBL
228433,C[NH2+]C1(CO)CC(C)CC[NH+](C)CCC1OC,0,GDB ChEMBL
240464,CC([NH3+])CC(C)CC(C)([NH3+])CCOC=O,0,GDB ChEMBL
349684,CC1C[NH2+]C2CC2C1c1cc(O)cnc1Cl,0,GDB ChEMBL
176469,C[NH2+]C(C)C1CC1C(C)C,0,GDB ChEMBL
227905,CN(C)C(=O)CC(O)Cc1nc(O)sc1C#N,1,GDB ChEMBL
204781,C[NH2+]CCC(CCC(C)O)C1CCC(C)C1C,0,GDB ChEMBL
338901,C#CC(OC)C1C(C)C(=N)NC(=O)C1CCC,0,GDB ChEMBL
109207,CC1CC(C(C)(C)C)C2CCC1C1CC12,0,GDB ChEMBL
34256,O=C1NC2COC3C1C23S(=O)(=O)NCCO,0,GDB ChEMBL
203816,COC1(CCC[NH2+]C(C)C)CC1,0,GDB ChEMBL
358293,CCC1C(NC(C)=O)C2CC2(C)C1OC,0,GDB ChEMBL
337140,C[NH+]1CCOC2CC3CC2C31,0,GDB ChEMBL
230717,CCC1C=C(c2ccc(C)c(C)c2Cl)CC1,1,GDB ChEMBL
372660,CCCC1CC(C)C2CC(C)(C)CC=C12,0,GDB ChEMBL
85677,O=C1CC2[NH2+]CCC(CCO)(O1)C1CC2C[NH2+]1,0,GDB ChEMBL
253607,C[NH2+]C1C(C)CC2C(C)C=CC21,0,GDB ChEMBL
202855,C=C(C)C([NH3+])C(CC#N)C(O)CO,0,GDB ChEMBL
214864,CC(C)(O)COC(=O)CCNc1nscc1[O-],0,GDB ChEMBL
85654,CC1CCCC2COC1C1OC1(C)C2,0,GDB ChEMBL
309179,COCCOC1CC(CC[NH3+])C1,0,GDB ChEMBL
144572,C#CCC1CCCCC(C(C)CC#C)CCC1,0,GDB ChEMBL
335476,CCC1(c2c(C)cccc2Cl)CC1(C)C,1,GDB ChEMBL
24750,CC1CCC=CCCCC1CC1CC1,0,GDB ChEMBL
114775,CC1C(CO)C(O)C([NH+]=C(N)N)CC1(C)C[NH3+],0,GDB ChEMBL
341859,C=CC(C#CC)C(C=C)CCCC,0,GDB ChEMBL
360869,CC#Cc1nc(OC)cc2c1N(C)C1CC21,0,GDB ChEMBL
50907,CN1CCCc2[nH+]c(=N)[nH]cc21,0,GDB ChEMBL
141780,CCC1CC=C(COC)C1(C)C(F)(F)F,0,GDB ChEMBL
244550,C[NH2+]CC(CO)NC(=[NH2+])COCCC(N)=O,0,GDB ChEMBL
243356,O=C1C(O)CCS(=O)(=O)C2NCCCCC12,0,GDB ChEMBL
223968,CNC1C[NH2+]CC1(N)COC,0,GDB ChEMBL
189801,CC(C(C#N)CC(N)=[NH2+])C(C#N)N(C)C,0,GDB ChEMBL
352857,CC(=O)c1c(O)ccn1C,1,GDB ChEMBL
274088,C#CC(C)(O)CC1CC=CC=CC1[NH2+]C,0,GDB ChEMBL
47205,COC(=N)NC(=O)Nc1ncns1,1,GDB ChEMBL
325287,C[NH2+]C(C)C(C)c1ccoc1,0,GDB ChEMBL
120534,CC(O)C1C(C[NH3+])NC(=O)C2(O)CC12[NH3+],0,GDB ChEMBL
280816,Cc1cocnc(C(=O)[O-])ncn1,0,GDB ChEMBL
235182,CCc1nc(=O)c(C2=NCCN2)c[nH]1,1,GDB ChEMBL
61699,C#CCC(C)(CCN1CC1C)CC(C)=O,0,GDB ChEMBL
150109,CCc1c2c(C(C)C)c(C)c(F)cc2cn1C,1,GDB ChEMBL
38527,N#Cc1c(O)ccc2c1CNC(=O)C2,1,GDB ChEMBL
271618,CC(=[NH2+])N(C)CCC1(C)CO1,0,GDB ChEMBL
130237,NC(=[NH2+])C(O)C(N)C(N)=O,0,GDB ChEMBL
161355,CC(CC#N)C1COC(C)C1O,0,GDB ChEMBL
150554,O=C1NC2CC(O)C(O)C1C2c1nn[n-]n1,0,GDB ChEMBL
315196,CCC(C)CC(C)C(C)(CC)CC(C)(C)C,0,GDB ChEMBL
366779,NC(=O)c1cnc(N2CC2)oc1=O,0,GDB ChEMBL
338597,COc1nc(C)c(O)c(N)n1,1,GDB ChEMBL
710,CC1(C[NH3+])C(N)CNC(N)=[NH+]C(C(=O)[O-])C1O,0,GDB ChEMBL
228917,CC(CO)C1C=C(CCC2CC2)CC1,0,GDB ChEMBL
125672,C=CC1(COC)CC2=C(CCC2)C1,1,GDB ChEMBL
34998,C#CCN(CC)C(C[NH+]=CNC)COC(N)=[NH2+],0,GDB ChEMBL
293828,NC(=O)C(=O)C1=NCC(CO)O1,0,GDB ChEMBL
94724,C1=CCC2CCCC2CC=CC1,0,GDB ChEMBL
39738,CC(=N)N(C)C(=O)CC(N)=O,1,GDB ChEMBL
389035,CC1C(C(O)C(N)=O)CC2(C)NC12,0,GDB ChEMBL
181596,NC(=O)N1CCC2CCC(CC(C[NH3+])O2)C1=O,0,GDB ChEMBL
134805,CC[NH2+]C1CC1OC1COC(C(N)=O)C1O,0,GDB ChEMBL
391740,CCC(=O)N1C=C(c2cn[nH]c2)CNC1=O,0,GDB ChEMBL
32021,CCC1(CC)Oc2c(C)ccc3c2C1C=C3,0,GDB ChEMBL
311370,CC1OC(=O)C(N)C2NC(=O)NC12,0,GDB ChEMBL
31068,CC#CC1CC(CCCC)C1(C)C,1,GDB ChEMBL
374065,CCCCC1(CC)CC=CC2C3CC3C[NH+]21,0,GDB ChEMBL
274393,C[NH2+]C1(C)CCC2CC[NH+](C)CC(N)(CC2)C1,0,GDB ChEMBL
278171,CC1C[NH+]2C(C)CC1C1CCC2(C)C1,0,GDB ChEMBL
350247,[NH3+]CC1CC1c1nc2c([nH]1)COCC2,0,GDB ChEMBL
53662,N#CC1(CS(N)(=O)=O)NCC1NC(N)=O,0,GDB ChEMBL
110195,CCN1CC(COC)CC1(C)C(N)=[NH+]C,0,GDB ChEMBL
336597,[NH3+]CCCCc1ccncc1,1,GDB ChEMBL
314098,CN1CC2OC(=O)C1C1C[NH2+]C21,0,GDB ChEMBL
338547,CC1CC(C(N)=[NH2+])C(C(C)O)[NH2+]1,0,GDB ChEMBL
77275,COC(C)C(C)C(O)C1CN(C)C1=O,1,GDB ChEMBL
92896,CCC1C[NH+]2CCCCC=C1C2C,0,GDB ChEMBL
387094,COC12CC(C)CC(C)C1C[NH2+]C2C=O,0,GDB ChEMBL
379119,CC1OC(=N)C2[NH+]=C(N)NC1C2C(=O)[O-],0,GDB ChEMBL
61286,Cc1n[nH]c(C#CCC(=O)NCC(=O)[O-])n1,0,GDB ChEMBL
132852,CC1OC2CCCCC#CC1C2,0,GDB ChEMBL
348627,CC1CC1C1C2CC=CCCC1(C)CCC2,0,GDB ChEMBL
67804,C#CCC(C)(Cc1ccsc1)C(C)(C)C[NH3+],0,GDB ChEMBL
367762,[NH3+]CC(O)CC1C2NC(=O)C([NH3+])C12O,0,GDB ChEMBL
342623,CCCC1C2=CCCC2C(C)CC1C,0,GDB ChEMBL
84972,CC1=CC=C2C(=CC1)Cc1c(Cl)cccc12,0,GDB ChEMBL
136730,CCC(C)[NH+]1CC2CC1C(OC)C2C,0,GDB ChEMBL
112886,C#CCCC1(OCCC)CC(C)(CO)CC1C,0,GDB ChEMBL
1446,N#CCCn1c(N)[nH+]c(C(O)CNC=O)c1N,0,GDB ChEMBL
234488,C[C-]1C=CC(=O)N(CCO)S1(=O)=O,0,GDB ChEMBL
319817,CC[NH2+]CCCC1C2CCC(C2C)C1C[NH2+]C,0,GDB ChEMBL
328869,CCC1CC2COCCC1(C)[NH2+]2,0,GDB ChEMBL
137125,CC1CC[NH2+]CC(C)CC(C)C1,0,GDB ChEMBL
237983,C[NH+]1CCCNC(C2(O)CC2)C1,1,GDB ChEMBL
292208,C[NH2+]C(CC1=CC2(C)OC1C2[NH3+])C(=O)[O-],0,GDB ChEMBL
96092,CCCCCC#CCc1nc[nH]n1,1,GDB ChEMBL
362657,C[NH2+]CC1COCCC2C(C)C12,0,GDB ChEMBL
75845,C#CC1C[NH+](C(C)(C)CC(C)C(C)[NH3+])C1,0,GDB ChEMBL
169499,COC(=O)C12CNC1COC(N)=N2,0,GDB ChEMBL
25243,CC(CO)CCC(C)(C)OCCC(=O)[O-],1,GDB ChEMBL
136141,CC12CC1C1[NH2+]CCOC2C1O,0,GDB ChEMBL
184688,Cc1cc(I)c2c(c1C)CCCCC2,1,GDB ChEMBL
295938,O=C(c1ncc[nH]1)c1c([O-])cccc1Br,1,GDB ChEMBL
70832,Cc1c(Nc2ncc(C[NH3+])s2)cnn1C(N)=O,0,GDB ChEMBL
62534,C=CC(CC)(CC)C1(C)CCCC1,1,GDB ChEMBL
225391,CCOC(C=O)C(N)=O,1,GDB ChEMBL
249869,CCCC(C)CC(C)([NH3+])c1ccc(C)nc1C,0,GDB ChEMBL
50900,CCC1OC(CO)C(C(C)O)C1[NH3+],0,GDB ChEMBL
335452,CC(=O)C1C(C)=CCCCC1C(F)(F)F,0,GDB ChEMBL
9796,CC1CCC(C[NH3+])C[NH+]2CC12,0,GDB ChEMBL
203278,CC1(O)CCCC(OS(N)(=O)=O)C1NC=O,1,GDB ChEMBL
252870,CCC1CC(CO)C(O)CC2C1N2C,0,GDB ChEMBL
30367,CCN1C(=O)CC(Oc2cn[nH]c2C)CC1C,1,GDB ChEMBL
338370,CC(C)[NH+]=CN1CCC1CCCC(=O)[O-],0,GDB ChEMBL
334733,C#Cc1cc(C(C)(C)CCCCC[NH3+])c(C)s1,0,GDB ChEMBL
309650,C#CC(C(C)O)N1CC1CCC,0,GDB ChEMBL
363176,CC(C)(O)CC1OC(C(N)=O)C=CC1O,0,GDB ChEMBL
341141,[NH3+]C1CCC(CCC2CC2)CNC1=O,0,GDB ChEMBL
151709,CC(C)CCc1cccc(I)c1,1,GDB ChEMBL
70836,COCC1=C(C(N)=O)C2(CCN1)CC2(C)[NH3+],0,GDB ChEMBL
379425,CCC(C)C(C(=O)NC)C1[NH2+]CC1(C)C,0,GDB ChEMBL
2967,CCC12C3C=CC1(C)c1cccc(C)c1C32,0,GDB ChEMBL
75809,CCOC(C)C12C[NH+](CC1CC)C2,0,GDB ChEMBL
203803,NC(=O)COC(=O)C(O)C(=O)[O-],1,GDB ChEMBL
151787,CCCC1C(C)C2CC=C(C)C1(C)C2,0,GDB ChEMBL
147375,C#CCCC(O)C1C2CCOCC2(C)C[NH+]1C,0,GDB ChEMBL
221373,CC(=O)NC(N)=NCC[NH+]=C(N)N,0,GDB ChEMBL
386626,[NH3+]CCC1[NH2+]C2CC1(O)C2,0,GDB ChEMBL
310163,Cc1nnn(CC(=O)[O-])c1C(N)C(C)[NH3+],0,GDB ChEMBL
211147,CCOCC(CO)CC(C)([NH2+]C)C(=O)C(=N)N,0,GDB ChEMBL
225338,CCC1CCCC(C)C2CC=CC12C,0,GDB ChEMBL
368436,C=C(C)CC1C=CC2CCCC21C,0,GDB ChEMBL
190368,CC1CNC(=O)C(O)C2(C)CC12,0,GDB ChEMBL
261210,C#CC12CC[NH+](C)C(CCC)C(C1C)C2C,0,GDB ChEMBL
317357,CCCCC1=CCC[NH2+]C1,0,GDB ChEMBL
77242,CC([NH3+])c1c(F)cncc1F,0,GDB ChEMBL
179321,CC1CC2C(C)C2(C)C(C)([NH3+])CC(=O)N1,0,GDB ChEMBL
57279,CC1C=CCC2(C)C3CC(C12)[NH+](C)C3C,0,GDB ChEMBL
47371,C#CC(C)C(=O)OCC#N,1,GDB ChEMBL
227768,CC1C(O)C[NH2+]C1CCOCC1CO1,0,GDB ChEMBL
157060,CCC1C(C)CC2(C)CCC(C(F)(F)F)C12,0,GDB ChEMBL
299143,C[NH2+]C(C)C1CC[NH+](C)C(C)C1,0,GDB ChEMBL
209451,CC1C2CC2C2CCNC(=O)C12,1,GDB ChEMBL
195461,CC1CC(C#N)CC1C1C2C=CC1CCC2,0,GDB ChEMBL
31064,CCC([NH3+])C(=O)NCc1ocnc1N,0,GDB ChEMBL
263485,C[NH+]=C(C)NC(CO)CC(=O)[O-],0,GDB ChEMBL
186030,CCOCC1NC(C)(CC)C(=O)NC1C,1,GDB ChEMBL
227516,COCC([NH3+])Cc1coc(C)c1O,0,GDB ChEMBL
271065,Cc1c(CCC#N)oc(=O)c(NC(N)=[NH2+])c1N,0,GDB ChEMBL
273439,Cc1cc([O-])c(Cl)c2ncccn(C)ccc12,0,GDB ChEMBL
220139,CC=C1C2CCC1N(C)C(C#N)C2,0,GDB ChEMBL
77539,N=C([N-]C(=O)C(N)C[NH3+])S(N)(=O)=O,0,GDB ChEMBL
121138,NC(=O)C12NCCN3C(=O)NC(=O)C1(O)C32,0,GDB ChEMBL
35268,CC(CC(=O)NC(C)C(C)O)OC1CC1[NH3+],0,GDB ChEMBL
384287,CC1NS(=O)(=O)CC(C(N)=[NH2+])C(N)C1O,0,GDB ChEMBL
78355,N#CCC1[NH2+]C2CC([NH3+])CC1C2,0,GDB ChEMBL
177194,CCC[NH2+]CC12CC(O)CCC1[NH2+]C(C)(C)C2,0,GDB ChEMBL
117418,CC1CC(C#N)C2C(O)C[NH2+]CC2N1,0,GDB ChEMBL
308171,CC1CC2C(C(=O)[O-])N=C(N)C2(O)C([NH3+])CO1,0,GDB ChEMBL
269182,C[NH2+]CC12CCCCC1NCC2=O,0,GDB ChEMBL
388416,C[NH2+]CC(NC=O)C1(C#N)CC1,0,GDB ChEMBL
201660,CC12CC(CO)OCC1CC(O)C2CC(N)=[NH2+],0,GDB ChEMBL
34202,CNc1cnc2c3c1OCC3CO2,0,GDB ChEMBL
132821,CC(O)CC(C)C(CC(C)(C)C)C1C[NH2+]1,0,GDB ChEMBL
231122,CC1C(C)C12CCc1cccc(I)c12,0,GDB ChEMBL
300004,CCC1C2[NH2+]CCCC2C2CC21OC,0,GDB ChEMBL
85056,CC(C)(O)CC(O)C1C([NH3+])C1OCCO,0,GDB ChEMBL
222200,CC1CC2CC[NH+]1CCC2([NH3+])C1CC1,0,GDB ChEMBL
56638,C1=C2CCCC=C2C2CCC[NH+](C1)C2,0,GDB ChEMBL
254964,N=C1OC2(CO)CC(OC2=O)C1CNC(N)=[NH2+],0,GDB ChEMBL
268191,COCC12CC(NC1=O)C2[NH3+],0,GDB ChEMBL
302654,CCc1cc2c(c(Br)c1C)C1CC2NC1=O,1,GDB ChEMBL
256172,C#CC1C2C([NH2+]C(C)C2(C)C)C(CCC)N1C,0,GDB ChEMBL
99585,CNC(=O)NC1(CO)C(O)C1([NH3+])C(=O)[O-],0,GDB ChEMBL
338091,CCC(CCO)([NH2+]C)C1COC1=O,0,GDB ChEMBL
358297,COC(=O)CCC1CC[NH2+]1,1,GDB ChEMBL
23521,N#CC12C(N)C(=O)OC1C2C(=O)[O-],0,GDB ChEMBL
301159,CC1CC=CCC1CC#CCCCC1CC1,1,GDB ChEMBL
182912,CC(CC(C)(O)C#N)C([NH3+])C(O)C(O)CO,0,GDB ChEMBL
259106,NC12CCCC1OCC(=O)NC2=O,1,GDB ChEMBL
57252,CCCC1CC(C)(COC2CCC2)C1,1,GDB ChEMBL
304086,CC1OC2C3CC(CC[NH+]3C)CNC12CO,0,GDB ChEMBL
230507,NC(=O)C([NH3+])CC(O)(C[NH3+])C(O)CCO,0,GDB ChEMBL
129439,CC1C2CCCC3CN3C(=O)C1C(O)C2[NH3+],0,GDB ChEMBL
207320,CC(O)C1NC(=O)C2(N)CC12CO,0,GDB ChEMBL
351360,CCCOC1CC2C[NH2+]C(C)C(O)(C1)C2OC,0,GDB ChEMBL
350315,CC1CCC1(C)Cc1cn(C)nc1C[NH3+],0,GDB ChEMBL
132572,CCC1(CC)CC[NH2+]CC1C,0,GDB ChEMBL
288431,CC1(CC#N)NC(=O)C(O)C1(CO)C(N)=O,0,GDB ChEMBL
247381,CCCC1CC(O)C2(C#N)CC1C1CN2C1,0,GDB ChEMBL
61275,CCC1=NCC(=O)NCC(CC)C(C)C(=O)N1,0,GDB ChEMBL
234420,CCOC(C=O)CCC1[NH+]=C(N)NC1C,0,GDB ChEMBL
370319,NS(=O)(=O)C1C2CNC(=O)NCC21,0,GDB ChEMBL
280288,CC(C)(C)C(CC1CCC[NH2+]C1)c1ccc[nH]1,0,GDB ChEMBL
147577,O=c1cnc2cc(F)ccc2o1,1,GDB ChEMBL
104954,CC(C)(C)Cc1cc2ccn3ccc(c1)c23,1,GDB ChEMBL
337946,C#CC1(O)CCCC(=O)C=CC1(C)C#N,0,GDB ChEMBL
222886,COC1C2C(=O)C(C(C)O)[N-]S(=O)(=O)C12,0,GDB ChEMBL
132189,COC1(CC(N)=O)CC1C(C)O,1,GDB ChEMBL
277989,CCc1[nH+]c(NC(C)C)ccc1CC(C)C,0,GDB ChEMBL
18692,C#Cc1cc2c(o1)CC(C)CNC(=O)C2,0,GDB ChEMBL
41115,NC(=O)Cc1ncc(C=O)s1,1,GDB ChEMBL
89714,CCC1C2CC(C(=O)[O-])OC12C(C)C,0,GDB ChEMBL
41651,N=C(N)NC(=O)CCOCC1CO1,1,GDB ChEMBL
286153,CC1[NH2+]CC(C[NH+]=C(N)N)C2OC12,0,GDB ChEMBL
241089,CCC1(C)CC(C)C([NH3+])C2CCCCC2(C)C1,0,GDB ChEMBL
368419,C[NH2+]C1CC1C([NH2+]C)C(C)C,0,GDB ChEMBL
180005,C#CC(C#N)(OC(N)=O)C(=O)CC(=O)NC,0,GDB ChEMBL
88176,CC1(C)CC(=O)CCc2cn3c(c2C1)CCC3,0,GDB ChEMBL
222892,NC1=NC2c3c(N)ncnc3C(=O)NCC2O1,0,GDB ChEMBL
84557,Cc1scc2c1CC(CC1([NH3+])CCOC1)CC2,0,GDB ChEMBL
126610,CC1(C)C=CC[NH2+]CC1O,0,GDB ChEMBL
155157,CCC(C)c1c(Cl)c(N)cc(Cl)c1C(F)(F)F,1,GDB ChEMBL
288722,CC(=O)C(=N[O-])C(C)(O)CC1[NH2+]CCC1O,0,GDB ChEMBL
177300,CC(C)C1C=C2CCCC(C)(C)C2C12CC2,0,GDB ChEMBL
48521,C[NH2+]C1C(=O)N2C3CCC(C3)C12C,0,GDB ChEMBL
260184,N#CC1CC(O)C2=C1C[NH+]1CCC(CC1)C2,0,GDB ChEMBL
98598,NC(=[NH2+])Nc1cnc(NC2C[NH2+]C2)s1,0,GDB ChEMBL
130826,CC(=O)C12CC(C[NH+](C)C1)OC1CCOCC12,0,GDB ChEMBL
197196,CCCC1CC(C)C(C)=CCCC1(C)C,0,GDB ChEMBL
53824,CCC1CCCCC23C(C)[NH2+]CC2C13,0,GDB ChEMBL
191548,COCC(Nc1ocnc1N)C([NH3+])C(=O)[O-],0,GDB ChEMBL
216182,C#CCC1CC(=O)NC(C)C1=O,0,GDB ChEMBL
45716,Cc1ccc(Cl)c2c1C1CC2C2C(C)C12,0,GDB ChEMBL
399022,Cc1ccc2c(c1)OCC21CC1,1,GDB ChEMBL
262346,CCC(C)c1cc(OCC(F)(F)F)ccc1F,1,GDB ChEMBL
201006,N#CCN(C=O)C(=O)C(C=O)NC=O,1,GDB ChEMBL
86688,COCC1C(OC)CC2CC21,1,GDB ChEMBL
99625,CCC1C2C(C)=CCCC(OC)C12,0,GDB ChEMBL
43530,O=C1C=CC2C3C[NH2+]C(C3)C2CC1,0,GDB ChEMBL
260707,CC[NH2+]C(C)C(O)(CN)CC(N)=[NH2+],0,GDB ChEMBL
203104,CC[NH2+]C1C(C(N)=O)CC2C1C2(C)O,0,GDB ChEMBL
222874,CCC1(O)C([NH3+])C2NC(=O)N(CC#N)C2C1[NH3+],0,GDB ChEMBL
320291,C#CCC(C)(C=O)CC[NH2+]CC=C,0,GDB ChEMBL
179503,Oc1ccc(F)c(C2C=C3CCC3C2)c1,0,GDB ChEMBL
47416,CCCc1c(Br)ccc(Br)c1C#CC1CC1,1,GDB ChEMBL
393532,N#CC1(N)CC(C[NH3+])OC(N)=NC1C(=O)[O-],0,GDB ChEMBL
20761,CNC(=[NH2+])CC(C)([NH3+])Cc1c[nH]c(=O)cc1F,0,GDB ChEMBL
20473,CCNC(=O)CN(C=[NH2+])CC1CC(C)CO1,1,GDB ChEMBL
105068,CC([NH3+])CN(C)C(C[NH3+])(CO)C1CC([NH3+])CN1,0,GDB ChEMBL
299988,C[NH+]=CNCC1(C)CCC(CCCC[NH3+])CC1,0,GDB ChEMBL
111581,CC(C)(O)C(C#N)Nc1nn[n-]n1,0,GDB ChEMBL
130425,COc1nc(=O)n(C(N)=O)cc1Cl,1,GDB ChEMBL
77820,C=CC(C)([NH+]=C(N)CCC)C(N)=O,0,GDB ChEMBL
45048,C#CCC(CC)c1cc(CCC)cc(C)c1C,1,GDB ChEMBL
287058,C#CCC(CO)Cn1nccc1CC(=O)NC,1,GDB ChEMBL
89657,C#CCc1cncc(C#C)c1OC(C)C,1,GDB ChEMBL
105103,CC1C=CC2C[NH2+]CC2(CCO)N1C,0,GDB ChEMBL
386601,C#CC(C)C(C(=O)[O-])C1CC1,0,GDB ChEMBL
383681,CCCCC(O)CC(F)(F)F,1,GDB ChEMBL
181135,CCC#Cc1c(Br)cccc1C(C)C1CC1,1,GDB ChEMBL
61915,CCCCc1cc(C(C)C)oc1OC,1,GDB ChEMBL
203121,CCCC1(C)CC2=CC1CCC[NH+](C)C2,0,GDB ChEMBL
141782,CC1OC2C3CCC1C2(C)C(=O)N3,0,GDB ChEMBL
50125,CNC(=O)C(CCS(N)(=O)=O)COC=O,1,GDB ChEMBL
121486,CC(=O)OC1C(O)C1c1ncon1,0,GDB ChEMBL
225382,CCC([NH3+])CC1C=CC2(COC)OC12,0,GDB ChEMBL
251458,CCC(O)C(C)N1CCC(C)([NH2+]C)C1,0,GDB ChEMBL
261388,Cn1cc(NC(=O)C(N)C#N)nc1C#N,1,GDB ChEMBL
276114,NC(=O)NC(C(N)=O)C1(CO)CC1[NH3+],0,GDB ChEMBL
177043,CN(C)CC(=[NH2+])NC=NCCC(=O)[O-],0,GDB ChEMBL
319197,CC(=O)NC1(C)CC1O,1,GDB ChEMBL
97200,C#Cc1cc(I)cc2c1CCCC2CC,1,GDB ChEMBL
57304,CC1CN=C(N)C2(C)OC2C(C(=O)[O-])[NH2+]1,0,GDB ChEMBL
396761,CC(C)OC(=O)n1c(NCCO)cc(O)c1O,0,GDB ChEMBL
299974,CC(O)C#CCC(C)CC1CC1,1,GDB ChEMBL
39740,COC1C(O)C2[NH2+]CCNC1C2N,0,GDB ChEMBL
157462,O=C1NC2C3CCOC(=O)N1C32,0,GDB ChEMBL
304405,CCc1cc(C)c(CC(F)(F)F)cc1Cl,1,GDB ChEMBL
273673,CC(C)OC1(CC(=O)C2CC2)CC1,1,GDB ChEMBL
146898,N#CCC1(CC(=O)[O-])OCC2(CO)CC1C2,0,GDB ChEMBL
56640,CCC1CC=CC23CN2C(=O)C([NH3+])C13,0,GDB ChEMBL
95534,CCNc1nc(O)n(CC#N)cncnc1N,0,GDB ChEMBL
174071,COC(N)=NC1C(O)C1NC(N)=[NH2+],0,GDB ChEMBL
368414,C[NH+]1CCC2C=C(CO)CC1C21C(N)C1[NH3+],0,GDB ChEMBL
277659,N=COC(C[NH3+])C(N)C(=O)OCC(=O)[O-],0,GDB ChEMBL
121118,CC1C=CCCC2C1C(C)[NH2+]CC2(C)C,0,GDB ChEMBL
338974,N#Cc1cc(S(=O)(=O)[O-])cc2ncoc12,1,GDB ChEMBL
29591,C1=CC2=CC[NH2+]CCN(C1)CC2,0,GDB ChEMBL
40374,N#CC(=O)[N-]C(CC(O)CO)C(=O)[O-],0,GDB ChEMBL
365698,CCc1snc(C#CCC(=O)[O-])c1N,0,GDB ChEMBL
204499,CC[NH+](C)C1CCCC1=O,0,GDB ChEMBL
95537,CCCCC1CCCC2(C1)CC2C(C)(C)O,1,GDB ChEMBL
203309,COCC1CC2(CCC1C)CCC2[NH3+],0,GDB ChEMBL
392500,CCC=C(C)CCCC(O)C1CN1,1,GDB ChEMBL
305963,CC(C)(CCC(N)=O)CNC(=O)OCC#N,1,GDB ChEMBL
340108,[NH2+]=C1NC2C(O)C([NH3+])CC(O1)C2O,0,GDB ChEMBL
147977,CC12C([NH3+])C(CC(=O)[O-])OCC1C2(O)C#N,0,GDB ChEMBL
56685,COC(CO)C1(O)CNC1(C#N)CO,0,GDB ChEMBL
71420,C#CC(C#C)(C(C)CC(C)C)C1CCCCC1,0,GDB ChEMBL
330967,C[NH+](C)C1CN(C(=O)CC2CN2)C1,0,GDB ChEMBL
81096,CNC(=O)C1(CC2(C)C=CCC2C)CC1,0,GDB ChEMBL
227791,C=CCCC(C)C(C)C=CC=CC,1,GDB ChEMBL
219492,[NH3+]C1CC2OC1CC(CS(=O)(=O)[O-])NC2=O,0,GDB ChEMBL
281005,CCCC1CC(NC=[NH+]CCN)CCC1(C)C,0,GDB ChEMBL
288509,C=C(C)C1(OC)CC(NC(C)=[NH2+])C1,0,GDB ChEMBL
276116,COC1(C(C)Nc2ccccc2)CC1C,1,GDB ChEMBL
49125,CC(C)C1CCC2(C)CCCCC(C)C12,0,GDB ChEMBL
374221,CNC(N)=[NH+]CC(C)Nc1[nH]c(=[NH2+])cc[nH+]1,0,GDB ChEMBL
252858,NC(=[NH2+])NC(=O)NCC1CCOc2nccn21,0,GDB ChEMBL
199486,NC(=O)C1CC(O)(CO)C(=O)O1,1,GDB ChEMBL
190480,CCC1CC2(C)CCCCC1C(C)C2[NH3+],0,GDB ChEMBL
382083,C#CCCC(C)(C)C(CC)C(C)(C)C(C)C,0,GDB ChEMBL
394363,CC1C2CCC2CCC1C(O)C1CCC[NH2+]1,0,GDB ChEMBL
234917,CCCC(=O)N1C2C1C(C)(O)CC2(C)[NH3+],0,GDB ChEMBL
259603,NC(=O)C(OCC[NH3+])C([NH3+])C(=O)[O-],0,GDB ChEMBL
269378,CC1C(C#N)C(=O)N2C(CO)C12,0,GDB ChEMBL
257973,CCC(C)(C)C12CCC[NH+](C)C(C1)C2,0,GDB ChEMBL
77726,CC1[NH2+]CCC2CCC21C,0,GDB ChEMBL
85045,CC1(C)CC1(C#N)C(F)(F)F,0,GDB ChEMBL
67878,CCC#CC1CCCC(C)([NH3+])CCC1,0,GDB ChEMBL
119785,CCC(O)C(=O)CNC(=O)NC,1,GDB ChEMBL
156116,CC1(CO)C[NH2+]C2CC=CC1CC2,0,GDB ChEMBL
38194,CC12CCCC=C1CCC1CC(O)C(C1)C2,0,GDB ChEMBL
310125,CCOCC1(CO)[N-]C(=O)C=C1C#N,0,GDB ChEMBL
5203,COC(=O)C1(O)CCNC1C#N,1,GDB ChEMBL
299726,CCC[NH+](C)C1CC(C)(CC)CC1(C)C,0,GDB ChEMBL
97109,CC12CCCC(OC3CC([NH3+])CCCC31)C2O,0,GDB ChEMBL
249626,CCC(=O)NC1C(O)CCC1(C)C([NH3+])C(N)=O,0,GDB ChEMBL
350683,O=C1NCC2C(N1)C(O)CS2(=O)=O,0,GDB ChEMBL
23519,Cc1cc(C)cc(C2CCC(C)C2)c1,1,GDB ChEMBL
195252,CCC(C#N)N=C(N)NC(C[NH3+])C(C)O,0,GDB ChEMBL
70953,CCC(CC(C)[NH3+])c1cc(Cl)cc(CCO)n1,0,GDB ChEMBL
166460,CN1CC(C=O)(CCO)C1,1,GDB ChEMBL
225054,CCCN(C)Cc1nc(O)cnc1NC(C)=N,1,GDB ChEMBL
3786,CC1CCCC2(CO)C=CCC12,0,GDB ChEMBL
259402,C[NH2+]CC1C(C(C)CCO)N1CC#N,0,GDB ChEMBL
181113,COC1(C[NH2+]CC(N)=O)COC(=O)NC1=N,0,GDB ChEMBL
39923,Cc1c(CC[NH+]=C(N)N)cnn1C(N)=O,0,GDB ChEMBL
246976,C#CC1CC(c2cc[nH]c2)C(C)(CO)C[NH2+]1,0,GDB ChEMBL
32014,CC1=CCCC([NH3+])CCCCCC[NH2+]CC1,0,GDB ChEMBL
132505,CCCC1(CO)OC(C)CC2CC21,0,GDB ChEMBL
372779,[NH3+]CC1(C2CN2)CCCC(O)C1,0,GDB ChEMBL
216178,O=C1CN=C(NCCO)NC(=O)N1,1,GDB ChEMBL
191735,NC(CCS(N)(=O)=O)C([NH3+])CCO,0,GDB ChEMBL
71698,C[NH+]1CC2C(O)C3CC(C[NH2+]3)C1C2(C)C,0,GDB ChEMBL
330128,CC(C)(CCCC[NH3+])C1NCC1(N)C#N,0,GDB ChEMBL
104505,CC(C)(C)C1C2CC(C#N)C(C[NH3+])CC21,0,GDB ChEMBL
153346,CCCN1CCN(C(C#N)CC)C1=O,1,GDB ChEMBL
53086,COC(CO)C1C[NH+]=C(N)N1C(N)=[NH2+],0,GDB ChEMBL
177831,CCC1CC(C)(C)CC2(C1)CC(C)(C)C[NH+]2C,0,GDB ChEMBL
252551,C#CCC(=O)C1(C)CCCc2ncccc2C1,0,GDB ChEMBL
62770,Cc1cc(C)n(C)ccnc2c(Br)cccc12,0,GDB ChEMBL
280307,COCC(OC1CC(C=O)C1)C(=O)[O-],0,GDB ChEMBL
244346,CCC(CO)C1OC1C(=O)[O-],0,GDB ChEMBL
132727,CCCC1(C)C(C)C1[NH2+]C,0,GDB ChEMBL
354835,CCCNc1cc(COC)c(CO)n1C(N)=[NH2+],0,GDB ChEMBL
112504,CCCCCC(CC(C)C)[NH+](C)CCN(C)C,0,GDB ChEMBL
137383,CC(CC12CCC(OC1=O)O2)C([NH3+])C(N)=O,0,GDB ChEMBL
34424,C=C(CC)C1([NH3+])CCN(C=O)CC1,0,GDB ChEMBL
21590,CC(CC#N)(CC1=[NH+]CCN1)N(C=O)C(=N)N,0,GDB ChEMBL
316313,CCCCc1c(I)cc(CC)cc1I,1,GDB ChEMBL
376693,CC[NH+]=c1[nH]ccc(O)c1C(O)CCOCC,0,GDB ChEMBL
72006,CCC[NH2+]C1C2C=CCC3CN(CCO3)C21,0,GDB ChEMBL
359136,CCCC1CC(CC)(CC(C)O)CC1CCO,0,GDB ChEMBL
151155,CC1CC2CCCN1c1cn(C)nc1C2,1,GDB ChEMBL
397915,Cn1nc(N)c2cc(O)nc(F)c21,1,GDB ChEMBL
210185,CC1CC2C([NH3+])C(CC[NH2+]1)C2(C)C,0,GDB ChEMBL
371713,NC(=O)C1CC([NH3+])C(O)C(C(=O)[O-])C1[NH3+],0,GDB ChEMBL
354978,CC(C[NH3+])(C[NH3+])C(C1CCCC1)n1ccnc1,0,GDB ChEMBL
309145,CCC#CC1OCC(=O)NC(C)C12CCC2,0,GDB ChEMBL
92891,CCC(C)C1[NH2+]CC(O)C(O)C1N,0,GDB ChEMBL
222841,CCC(C#Cc1ccc(Br)cc1)C1CC1,1,GDB ChEMBL
79319,CCCCc1cc(CC(=[NH2+])N(C)CC)cn1C,0,GDB ChEMBL
101019,CC(O)C(O)C1CC(NC=[NH2+])C(O)CC(=O)N1,0,GDB ChEMBL
260729,CCC(C[NH3+])OCCOC(=N)NS(C)(=O)=O,0,GDB ChEMBL
199481,CCC(C[NH3+])C(C)(CO)CC(C)CCC#N,0,GDB ChEMBL
277099,C#CC([NH3+])(CC)CCCO,0,GDB ChEMBL
222900,CC1=CC(C)(Cc2ccc(Cl)c(Cl)c2)[NH2+]C1,0,GDB ChEMBL
184686,CNC(=O)NC1C2COC(=O)NC21,0,GDB ChEMBL
210184,CCCCC1COCCC12OC2C,0,GDB ChEMBL
74346,CC(C)(C)C(C#N)C(=O)N1CC(C[NH3+])C1,0,GDB ChEMBL
81143,CC[NH2+]CC(OCCO)(C(N)=[NH+]C)C(C)C=O,0,GDB ChEMBL
305302,C[NH2+]Cc1cc(=N)[n-]c(S(N)(=O)=O)c1C#N,0,GDB ChEMBL
195248,CCCC1C2C=CCC(CC)CCCCC21,0,GDB ChEMBL
15562,Nc1nsc2c1OCCCNS2(=O)=O,1,GDB ChEMBL
282250,CCCC1CC2CCC1(C)C[NH2+]2,0,GDB ChEMBL
81587,C#CC(=O)OCC=CCNS(C)(=O)=O,1,GDB ChEMBL
133135,CC1=CC2CCC(C[NH3+])C(C)C1O2,0,GDB ChEMBL
383798,N#Cc1c(CCCC(=O)[O-])[nH]cnc1=N,1,GDB ChEMBL
324251,CC12CCC(C)(C3CCC1CC3)C1CCCC12,0,GDB ChEMBL
204488,O=CCCc1ncc(=O)cc(O)c1C(=O)[O-],0,GDB ChEMBL
302261,NC(=[NH2+])C1CN1C(=O)CNC(=O)CO,0,GDB ChEMBL
92884,CC(C#N)N=c1[nH]ccc2c1C(O)C[NH+](C)C2,0,GDB ChEMBL
321397,C#CCc1ncc(CCCCC#CC)[nH]1,0,GDB ChEMBL
151684,N#CC1[N-]C(=O)C2(NC=O)CCC(O)C12,0,GDB ChEMBL
31057,CC1OC2CC(O)CC1C(C(N)C[NH3+])O2,0,GDB ChEMBL
139832,C#CC(=O)N1CCCOC(=O)C(C#N)(OC)C1,1,GDB ChEMBL
230266,COCC1NS(=O)(=O)CC2CCC(O)C1[NH2+]2,0,GDB ChEMBL
103543,CCOC(=N)C(C)C(=O)NCCCO,1,GDB ChEMBL
391795,CNC1=NC(C(=O)[O-])CS1(=O)=O,0,GDB ChEMBL
95943,NC(=O)C(=O)c1ccn2c1C(=N[O-])CC2,0,GDB ChEMBL
321403,C[NH+]1CC2CC2C2CCC1C(N)C(CO)O2,0,GDB ChEMBL
303320,CC1=CC(C#CC[NH+](C)C(C)C)CCC1,0,GDB ChEMBL
81432,CC1(C)C(=O)NCCOC1=O,1,GDB ChEMBL
284751,CC1(C)CC2C(=CC[NH2+]1)CCCC2(C)C=O,0,GDB ChEMBL
235587,COCC(CC1[NH2+]CC1OCC(=O)[O-])=N[O-],0,GDB ChEMBL
9832,C#CCC1CC=C2CCCCC2CC1CC,0,GDB ChEMBL
51389,[NH3+]CC(=CC=CC1CCC1)C(=O)[O-],1,GDB ChEMBL
222168,CC1=CC(=O)OCC1C(N)=[NH2+],0,GDB ChEMBL
296413,C=C(CCC(C)CO)C(C)CCC,1,GDB ChEMBL
340428,C#CCC(C)n1cc(C#C)cnc1=O,0,GDB ChEMBL
382181,CC(CC(O)C([NH3+])C1(C)CCC1)NC=O,0,GDB ChEMBL
35687,C#Cc1cc(C)cc(C(C)C(C)(CC)[NH2+]C)n1,0,GDB ChEMBL
39753,CCC1CCOCC(C)C2(C1)C[NH+]2C,0,GDB ChEMBL
53836,CCn1ncc2c1OC(=O)CC2,1,GDB ChEMBL
331759,NC1C(=O)OC2OC(C1O)C(O)C2O,1,GDB ChEMBL
198819,CC(=O)Nc1cc2ncc(=O)cnn2c1,0,GDB ChEMBL
47370,CC1CCCCC1CCCC(C)(N)C(F)(F)F,1,GDB ChEMBL
85685,CC1C[NH+](CCN)CC23CCCC2C13,0,GDB ChEMBL
236744,CCN(CCO)c1cc(C)n[nH]1,1,GDB ChEMBL
337942,C#CC1N=CNC(C)C(C#N)(COC)CC1=O,0,GDB ChEMBL
317743,CC(CCC(F)(F)F)C(=O)C1CCC(O)C1C,0,GDB ChEMBL
280305,C#CC12CC(CCCC)CC1(C(F)(F)F)N2,0,GDB ChEMBL
338813,Fc1ccc2ccnc(F)c2c1,1,GDB ChEMBL
338249,C=CCC(C(=C)C)C(C)(C)[NH2+]CC,0,GDB ChEMBL
256021,Cc1c(O)nc(N2CC=CC2)c(F)c1F,1,GDB ChEMBL
384243,CCCC1C(C)CC2CC2C1CCC,0,GDB ChEMBL
339232,CCOC1CC[NH+](CCC2CC(CC)CO2)C1,0,GDB ChEMBL
186610,CC(NC(=O)CO)C1CC1[NH3+],0,GDB ChEMBL
47723,CN(CC(O)C#N)S(=O)(=O)CCO,1,GDB ChEMBL
99863,CC1C2CC(c3ccc(I)cc3)C1C2,1,GDB ChEMBL
21498,[NH3+]CC1CC2[NH2+]CC1C2C(=O)[O-],0,GDB ChEMBL
76395,CCCc1[nH]c(=O)c(S(=O)(=O)CCC)cc1Cl,1,GDB ChEMBL
299976,[NH3+]C(CC(=O)[O-])c1c(O)nnoc1=O,0,GDB ChEMBL
115006,COCC(C)(C)C1(CC(C)=O)CCCC1,0,GDB ChEMBL
207918,CN(CCO)c1ccc2c(c1Br)CCC2,1,GDB ChEMBL
350922,CC[NH2+]C(CCC1CC1)C(N)=O,1,GDB ChEMBL
23666,COCC1(C)CC(CC[NH+](C)C)C1C#N,0,GDB ChEMBL
176538,O=C([O-])C(O)CC1Oc2ccnnc2O1,0,GDB ChEMBL
254204,[NH3+]CCC1C2CC3CC(C2)C1[NH2+]3,0,GDB ChEMBL
228351,CC1CCCC2(OC(=O)NC2C(=O)[O-])C(=O)C1,0,GDB ChEMBL
22826,CCC(C)C1CC(C(C)C)C2CCC(C)(C)C12,0,GDB ChEMBL
200958,CC(=O)NC1CCCCOCOC1,1,GDB ChEMBL
352823,CCC1(C)CC(O)C2C(C)C=CC2C1C[NH3+],0,GDB ChEMBL
71278,C[NH2+]C1(C(=O)[O-])C(C(N)=O)CC(O)C1O,0,GDB ChEMBL
286262,C#CCCC1NC(=[NH+]C)NC1(C)C(C)CC[NH3+],0,GDB ChEMBL
292320,Cc1ccc(CC(=O)C2CC2)cc1C,1,GDB ChEMBL
239378,CCC1CC2=C(CCCC([NH2+]C)C2)C1CC,0,GDB ChEMBL
319169,CC(O)C(O)Cc1ccco1,1,GDB ChEMBL
173961,CC(CCO)CNC1=[NH+]CC(O)C(N)C1,0,GDB ChEMBL
84957,CC1COC(C([NH2+]CCO)C(=O)[O-])C1O,0,GDB ChEMBL
131874,CC1=NC(C(O)CCCC(C)O)CO1,1,GDB ChEMBL
119649,CCC1CCC(CCCC2CCOC2(C)C)C1,0,GDB ChEMBL
383757,C=C1CC(C)c2c(F)cc(F)cc21,1,GDB ChEMBL
267884,C=CC1(C)C(CCC)CC1(C)OC,1,GDB ChEMBL
262579,CC1CC(C(=O)[O-])=CC2(C)CC1C2,0,GDB ChEMBL
391288,C#CC(=O)N1CCCCC1C=O,1,GDB ChEMBL
236662,C#CCC(C)(C)C1c2ccoc2CCC[NH+]1C,0,GDB ChEMBL
70143,C#CCCCCC1CC(C#C)[NH2+]C(CC)C1C,0,GDB ChEMBL
391801,C#Cc1cc(F)c(F)c(CC#CC)c1F,1,GDB ChEMBL
136702,O=C1OCC2C[NH2+]CC1(O)C2O,0,GDB ChEMBL
136464,[NH3+]C1CCOC(=O)NCC12CO2,0,GDB ChEMBL
347896,CC1(O)CC2CCC1(O)C2[NH2+]CCNCC#N,0,GDB ChEMBL
320313,CC1CCC2([NH2+]C3CCCCC3)CC1CC2C,0,GDB ChEMBL
165235,Cc1cncc(C2NC(=O)CCC2=O)c1,1,GDB ChEMBL
395127,C#CC(CC([NH3+])CC(C)O)C([NH3+])c1ccsc1,0,GDB ChEMBL
159997,C#CC(O)CNC(CS(=O)(=O)CNC)C(N)=O,0,GDB ChEMBL
302477,CC(NC(=O)C(O)C([NH3+])CO)C(O)C(O)CO,1,GDB ChEMBL
355026,CC(O)C1OC12CS(=O)(=O)[N-]C2=O,0,GDB ChEMBL
277995,C=CC(=CCC(C)CC)C(C)(C)C,1,GDB ChEMBL
265277,CC12C(O)C1S(=O)(=O)NC2C([NH3+])C(=O)[O-],0,GDB ChEMBL
181138,Cc1nc(C(C[NH3+])C(C)COCCO)n(C)n1,0,GDB ChEMBL
291482,CCCCC#CCc1ccc(F)cc1,1,GDB ChEMBL
17052,CC(=O)OC1C(C)C2CC(CO)C1(C(C)=O)O2,0,GDB ChEMBL
37328,C#CC([NH3+])Cc1c(C)ccc(C2CC2)c1Cl,0,GDB ChEMBL
209722,CC(CC[NH3+])C(N)(C#N)C(N)=[NH2+],0,GDB ChEMBL
389403,CC([NH3+])C(O)c1cc(NC(N)=O)on1,0,GDB ChEMBL
334013,COCC1CC(C)C2OCCCC(C)C12C,0,GDB ChEMBL
371722,C#CCCC1CC([NH2+]C)C(C)(C#N)N1CC#N,0,GDB ChEMBL
36035,CN(CC1C=CC([NH3+])C1)CC1(C)CCC[NH2+]1,0,GDB ChEMBL
242642,N=C1NC(=O)C(CN)(C[NH3+])N1C=O,0,GDB ChEMBL
271585,CC(=O)c1scc([O-])c1OC(C)(C)CC(N)=O,0,GDB ChEMBL
126899,CCCC1C(C)CC=CC1C(C)C,0,GDB ChEMBL
211013,CCC(C)C(O)C1COC(=O)O1,1,GDB ChEMBL
13906,O=CCN1CCNC(CO)CS1(=O)=O,0,GDB ChEMBL
47696,CC(=[NH2+])N(C(N)=[NH2+])C1CCCC1,0,GDB ChEMBL
173897,CC1(O)CC2C[NH2+]CC(C#CC1[NH3+])OC2,0,GDB ChEMBL
70114,CC1CC(C(=O)[O-])C23C(O)C2NC(=[NH2+])N13,0,GDB ChEMBL
84850,CC1CCC2CC([NH3+])CCC(C)C2[NH2+]1,0,GDB ChEMBL
131621,CCC(C)[NH2+]C1CC(OC)C(N)C1N,0,GDB ChEMBL
203457,CC1C2CC(CO)(C[NH2+]C2CN)C1C(F)(F)F,0,GDB ChEMBL
161764,C[NH2+]CC1(C)C(C)OC(C)C1O,0,GDB ChEMBL
77348,CC1C=CC(C(F)(F)F)CC1O,1,GDB ChEMBL
16752,Cc1sc2c(c1C1(C)CC1)NC(=O)C2,1,GDB ChEMBL
221968,NC12CC1[NH2+]C2CCC(=O)[O-],0,GDB ChEMBL
282213,C#CC1CCC(CCC)C(C)(CC(C)C)C1,0,GDB ChEMBL
218845,COCC(C)[NH2+]CCCCn1cc[nH]c1=O,0,GDB ChEMBL
291539,CC(CCCC(N)=O)C1CN(C(N)=O)C1=N,0,GDB ChEMBL
379372,CCC1[NH2+]CC(O)(C(=O)[O-])C(C)(O)C1N(C)C,0,GDB ChEMBL
214869,CC1(O)C#CCNCC(=O)CCC1,1,GDB ChEMBL
366628,C#CC1(C)OC2CC[NH+](C)C2C1C(C)(C)C,0,GDB ChEMBL
46035,CCN1C(=O)NCc2sc(CNC(N)=[NH2+])nc21,0,GDB ChEMBL
181123,CNS(=O)(=O)CCC(N)=O,1,GDB ChEMBL
190101,CCC(O)C(O)C(CO)OS(N)(=O)=O,1,GDB ChEMBL
259369,C#CCCC(C)(C)CC(C#N)C(C)C(C)CC,1,GDB ChEMBL
212588,Cc1[nH]c(CC(N)=O)c(N)c1NCCCC[NH3+],0,GDB ChEMBL
355013,NC(=[NH2+])CC(CO)CO,0,GDB ChEMBL
288433,c1ccc2c(c1)CCc1ccccc1-2,1,GDB ChEMBL
331497,CC12CNC(C(=O)C1)C(O)C2O,0,GDB ChEMBL
63151,[NH2+]=C1C2CC2CN1CC(=O)[O-],0,GDB ChEMBL
186052,O=C1NC2C(C[NH2+]CCO)C2C2OC12,0,GDB ChEMBL
366791,CC(O)(C[NH+]=C(N)N)CC(N)=O,0,GDB ChEMBL
350957,C#Cc1ccc(C(C)C[NH3+])cc1,0,GDB ChEMBL
308218,FC(F)(F)c1cc2c(I)ccnc2cn1,1,GDB ChEMBL
299204,CCCC(=O)Nc1noc(S(N)(=O)=O)c1N,0,GDB ChEMBL
32060,CC#Cc1c(Cl)c(C)c(C)c(C)c1Cl,1,GDB ChEMBL
355185,CC1(C(N)=[NH2+])CC(c2cc(Cl)ccc2O)C1,0,GDB ChEMBL
389609,CC1C[NH2+]C2CCC(CCCC(C)(C)C1)C2,0,GDB ChEMBL
247498,CC1CCC1CCCCC#Cc1cccs1,1,GDB ChEMBL
240012,C#CCC(C)[NH+]=C(N)NCCC(C)C#N,0,GDB ChEMBL
358909,CC1CC(C)C2(C[NH2+]1)CC1C=CC(C1)C2,0,GDB ChEMBL
334802,CCC([NH3+])CC(N)=[NH+]C(C)C,0,GDB ChEMBL
396142,CCCCC(CC)(CC(C)=O)C(C)CC(C)=O,0,GDB ChEMBL
397030,CC1OCC2(CC[NH3+])C=CC1C2,0,GDB ChEMBL
198815,CCCC1CNC(=O)N2CCC(C2)[NH2+]CC1O,0,GDB ChEMBL
37111,CC(C(N)C(N)=[NH2+])C(C(N)=O)C(=O)[O-],0,GDB ChEMBL
258308,N#CC(CO)C(N)(C(=O)[O-])C(O)C(N)=[NH2+],0,GDB ChEMBL
317957,CCC12CC1c1ccc(F)c(O)c1C2C,0,GDB ChEMBL
338366,NC(=O)C(O)C1C2C(CO)OC(=O)N21,0,GDB ChEMBL
77058,N=CN(C=N)CC(=O)NCCO,0,GDB ChEMBL
338561,C#CC(CC(C)C)CC(C)CCOC,1,GDB ChEMBL
193301,CC1(C[NH3+])[c-]2oc(=O)cc2C1NC(N)=O,0,GDB ChEMBL
161829,CNC(=O)C1(C2C(=O)CC(=O)N2C)CC1,0,GDB ChEMBL
226217,C#CC1CC2c3c(ccc(Cl)c3C)CC2(C)C1,0,GDB ChEMBL
185338,CC1(C[NH3+])CNC(=O)C2CC1(CCO)C(=[NH2+])N2,0,GDB ChEMBL
288446,C[NH2+]CCC([NH3+])(Cn1cccn1)C(C)(C)C,0,GDB ChEMBL
177181,CCC[NH2+]C1C2CCCC1CC2,0,GDB ChEMBL
209463,O=C([O-])C1CC2C3CC(O)C=CC32[NH2+]1,0,GDB ChEMBL
159724,C#Cc1c(CO)c2n(c1C)CC(O)CC[NH2+]C2,0,GDB ChEMBL
16003,CC1NC(=O)OC2(C)C(C(N)C[NH3+])C12,0,GDB ChEMBL
80356,C#CC(O)(C#C)C[N-]C(=O)C(N)C#N,0,GDB ChEMBL
205788,CC1OC(=NCC#N)CNC1=O,1,GDB ChEMBL
61281,CNc1ccnc(F)c1CC(C)(C)C(F)(F)F,1,GDB ChEMBL
146961,CNC(CNc1nn[nH]n1)C[NH2+]C1CCC1,0,GDB ChEMBL
9696,O=C1OCC=C1CC(O)CO,1,GDB ChEMBL
317728,C[NH2+]CC1COC(=N)C1O,0,GDB ChEMBL
398804,CNC(=[NH2+])N1CC(N)(CC(C)[NH3+])C1,0,GDB ChEMBL
96065,O=C(CO)C1C[NH+](CCO)CC1O,0,GDB ChEMBL
156785,CC(C[NH3+])C1C2OCCOC1C1CC12,0,GDB ChEMBL
235228,CCC1CC2OC(C)CC(C#N)(C1)CC2C,0,GDB ChEMBL
255462,CC1OC2C(C[NH2+]C(C)C2(C)O)CC1[NH3+],0,GDB ChEMBL
119875,CC(C)n1cnn(CCC2CCC[NH2+]2)c1=O,0,GDB ChEMBL
249411,CC1CC(C)(CC#N)CCCC1C1CC1,0,GDB ChEMBL
29777,Cc1cc(N)c(F)c2c1CCC2,1,GDB ChEMBL
333688,N=CNC(=[NH2+])CC1CC(NCCCO)C(=O)O1,0,GDB ChEMBL
66736,Cc1cc(Cl)cc2c1NCC1(CN1)C2C,0,GDB ChEMBL
18359,CC#CCCC(C)C([NH3+])(C[NH3+])CCC,0,GDB ChEMBL
263968,CC#CCCC1Cc2ccc(F)cc2C1,1,GDB ChEMBL
280817,C#CC[NH2+]C(C)C1CCC([NH3+])C1(C)C,0,GDB ChEMBL
217076,[NH3+]C1CCC(=O)[N-]S(=O)(=O)CCCNC1=O,0,GDB ChEMBL
330068,CC1OCC2(CC#N)NC(C(=O)[O-])C([NH3+])C12,0,GDB ChEMBL
132884,CC1(CCCO)OCCCO1,1,GDB ChEMBL
314950,CC1CC(C2CC2)C2CCC1(C)CC2,0,GDB ChEMBL
275526,NC(=O)COC12CN(C1)C1C(=O)NC(=O)C12,0,GDB ChEMBL
330931,CCCC1CC(C[NH2+]C(C)C=O)C1,0,GDB ChEMBL
93140,CC1=CC2C(C#Cc3ccccc3F)C2C1,1,GDB ChEMBL
282223,CC1N2C(=O)OC(C(N)=O)C12C#N,0,GDB ChEMBL
43978,CC1=CCNC(=O)C2C1OC(=O)C1C2N1C,0,GDB ChEMBL
47687,CCC1C(c2cccnc2Br)=CCC1[NH3+],0,GDB ChEMBL
93728,C=C(C)CC(=C)CCCCC1CC1,1,GDB ChEMBL
211124,CCCCC1CC(C)OC1C1C2CCCC21,0,GDB ChEMBL
109533,COCC12C[NH2+]C(C)CC(C(C)O)C1O2,0,GDB ChEMBL
345472,CC(C)C=CC=CC=CCCC[NH3+],0,GDB ChEMBL
286278,CCNc1ncn(CC)c1C1CC1,1,GDB ChEMBL
83129,C[NH+]1CCN(C(=O)CC[NH3+])C(=N)NCC(O)C1,0,GDB ChEMBL
321780,CNC1(C=O)CC2CC[NH+](C(C)CO)CC1C2,0,GDB ChEMBL
119856,Cc1nc(N2C(N)=[NH+]CC2CC(=O)[O-])c(O)[nH]1,1,GDB ChEMBL
181736,O=C1NC2CC13C[NH2+]C2CC3O,0,GDB ChEMBL
150542,CC1C=CCCC2CC(C)(C)C(CO)C12,0,GDB ChEMBL
148897,CCC1CCC(C)C(C)(C)C(C)CC1,0,GDB ChEMBL
127936,CC1NC(=O)NC2(C[NH3+])C(C(O)CO)OC12,0,GDB ChEMBL
44374,CNC1CNC(=[NH2+])C1,0,GDB ChEMBL
43912,O=c1[nH]cc(O)nc1OCC1CC[NH2+]1,0,GDB ChEMBL
232105,CNC(=O)NCCOc1ccsc1,1,GDB ChEMBL
208299,CC1(O)COC(=O)NC(C#N)CC1(N)C[NH3+],0,GDB ChEMBL
310759,COC(C)(C)Cc1cc[nH]c1CC(O)C#N,1,GDB ChEMBL
13837,[NH2+]=C1NC(CNC(=O)NCCO)CO1,0,GDB ChEMBL
241102,CN=C1OCCN1CC(C)O,1,GDB ChEMBL
89648,CC1C(C(=O)[O-])OC(C(C[NH3+])OC(N)=[NH2+])C1O,0,GDB ChEMBL
340539,C[NH+](C)CC1(O)CNCC(C#N)C(=O)OC1,0,GDB ChEMBL
203468,CC(O)C1[NH2+]CC(O)C1N,0,GDB ChEMBL
288591,CC1CC(C)(C)C2C[NH2+]C1C2C,0,GDB ChEMBL
362671,CN(CS(N)(=O)=O)C(CC#N)C(=O)[O-],0,GDB ChEMBL
351124,N#CC1NC(=[NH2+])C(C[NH3+])C1C(=O)[O-],0,GDB ChEMBL
239340,CC1(O)C(C[NH3+])CC(C#N)C1(N)c1nccs1,0,GDB ChEMBL
79297,C#CCc1oc2ccc(C#N)c(C#C)c2c1C,1,GDB ChEMBL
2345,CCN1CC1(C(=O)OC)C(C)(C)CO,0,GDB ChEMBL
334027,CCCCC1CC2CCCC1(C)CC2C(C)C,0,GDB ChEMBL
70886,CC(C[NH3+])C1C2CC(C#N)N1C2,0,GDB ChEMBL
7397,C[NH+]1CC(N)CNC(=O)NCC1C1(C)CC1,0,GDB ChEMBL
203858,CCCn1c(OC)cc(C[NH2+]C)c1O,0,GDB ChEMBL
388436,CCCC([NH3+])c1cc(C(C)C)c2ncoc2c1,0,GDB ChEMBL
369288,[NH3+]C1C2CC(CO)NC(=O)C1C2O,0,GDB ChEMBL
103496,CC1=CC(C)C([NH2+]CCN(C)C)C(O)C1,0,GDB ChEMBL
269330,CC1NS(=O)(=O)C(C)C(=O)NCC1[NH3+],0,GDB ChEMBL
150125,N#CC1CNCCCNS1(=O)=O,0,GDB ChEMBL
71473,CCOC1OC(C)C([NH2+]C)C1[NH+]=C(N)N,0,GDB ChEMBL
99684,NC(N)=[NH+]CC(O)C(O)C(O)CO,0,GDB ChEMBL
115396,NC(=O)C(CO)[NH2+]CC(CO)C(=O)[O-],0,GDB ChEMBL
365689,CC1C(C([NH3+])C(O)C(N)=O)N1S(C)(=O)=O,0,GDB ChEMBL
24022,Fc1ccc2c3c1OCC1OC1CC3CC2,0,GDB ChEMBL
362580,COC(C)C=CC1CCCC(=O)O1,1,GDB ChEMBL
306290,[NH3+]CC(NC=O)C(=O)NC1C([NH3+])COCC1O,0,GDB ChEMBL
338344,C#Cc1cnccc1C(C)O,1,GDB ChEMBL
284285,CCC1CCCC1([NH3+])CN1CC2CCC(C2)C1,1,GDB ChEMBL
225475,CC[NH2+]C1C(C)CCC1[NH2+]C,0,GDB ChEMBL
202797,CNC(=O)C1(O)CC([NH3+])C(=O)NC1=N,0,GDB ChEMBL
70960,CCC(O)C1C(C(O)C(N)=O)N1C,0,GDB ChEMBL
71435,CC(=O)C1CCCC(C)[NH2+]CC=CCC1O,0,GDB ChEMBL
176491,CC(O)C1COC(C)(CO)C1,0,GDB ChEMBL
235611,[NH2+]=C1NC2CC(=O)OCC2CCO1,0,GDB ChEMBL
284777,CC1(C(=O)[O-])CN1CCOC(=O)CN,0,GDB ChEMBL
276273,CC1(C)Cc2nccc(Br)c2O1,1,GDB ChEMBL
234892,CN1c2ccnc(Cl)c2CC1CCCO,1,GDB ChEMBL
43924,NC1=NCC(C[NH2+]CC(=O)[O-])C(=O)CN1C=O,0,GDB ChEMBL
151781,CC(C)CCCC1(OC(N)=O)C([NH3+])C1O,0,GDB ChEMBL
250619,CCc1cccn1C1=CC(C)CCC1OC,0,GDB ChEMBL
12747,CNC(=O)NCC1CC(C)(C)C(C)(C)C1=O,1,GDB ChEMBL
119930,COC(=O)C1C[NH2+]C2CC2C1C,0,GDB ChEMBL
395964,CCNc1nc(=N)c(OCCOC)ns1,0,GDB ChEMBL
308184,CC1C2CCCCCCCC1C2(C)C,0,GDB ChEMBL
9915,C[NH2+]CC=CC=Cn1cncc1C,0,GDB ChEMBL
194464,CC1CC2C(C)C[NH2+]C2C1CO,0,GDB ChEMBL
194417,CC1CN(C)C(=O)C23OC(=O)C(N)C2(N)C13,0,GDB ChEMBL
178032,CCCC(C)(CC[NH3+])c1c(O)cc(C)cc1F,0,GDB ChEMBL
297033,CC1([NH3+])C(CO)OC(C[NH+]=C(N)N)C1C(=O)[O-],0,GDB ChEMBL
17600,FC(F)(F)C12CCCC1Cc1ccc(Cl)cc12,0,GDB ChEMBL
87549,COCCNC(=O)NC(=[NH2+])N(C)C,0,GDB ChEMBL
99425,C#CC#CCC(C)(CC)CCCCC[NH3+],0,GDB ChEMBL
222856,CC#CC(C[NH3+])CCCO,1,GDB ChEMBL
319801,CC1CCOc2cc(=O)oc(Cl)c2C1CO,0,GDB ChEMBL
27944,COc1nn(CCCc2ccsc2)cc1C=O,1,GDB ChEMBL
193289,COC(C)C(C(CO)C(N)=O)S(N)(=O)=O,0,GDB ChEMBL
277706,CC(=O)N1CCC2(O)CC2C1,1,GDB ChEMBL
207356,CN(C(=N)C1(CO)COC(=O)N1)C(N)=[NH2+],0,GDB ChEMBL
165933,CCOC1CC1C1C([NH3+])C1C(C)C,0,GDB ChEMBL
241104,CC(C)CC1C([NH3+])CC(C)C(C)C1CO,0,GDB ChEMBL
65608,NC(=O)OC1CN2C(=[NH2+])NC(CO)C12,0,GDB ChEMBL
263416,CC1C([NH3+])C(O)CC(O)(CC(N)=[NH2+])C1C(N)=O,0,GDB ChEMBL
358946,CC1CC2C(C)(C)CC(C(=O)[O-])OC1C2(C)C,0,GDB ChEMBL
119879,CCC1C2OCCNC(C(=O)O2)C1[NH3+],0,GDB ChEMBL
132861,CN1CCC(C(N)=O)(C(=O)[O-])N=C1C=O,0,GDB ChEMBL
17653,C#CCCCC(O)C1CC([NH3+])C(C)(C)CC1C,0,GDB ChEMBL
173846,CC(CCC(=O)[O-])[NH+]1CCC1C(N)=O,0,GDB ChEMBL
59630,CC[NH2+]C12CCC(OC)C13CC([NH3+])C(O)C23,0,GDB ChEMBL
146932,C#CCc1ccc(Br)c(C(C)C)c1OC(C)=O,1,GDB ChEMBL
55535,COC1(C)C(C)CCCC(O)C1C(=O)[O-],0,GDB ChEMBL
26992,C=C1CC(C)CC2OC(C)C(O)C12,1,GDB ChEMBL
231139,CCCCC[NH2+]C1CN2CC12,0,GDB ChEMBL
144616,COC(C)C(C)(O)C1CN(C(=O)C(N)=O)C1,1,GDB ChEMBL
265502,COC(CCc1snc(CCO)c1C)C(N)=O,0,GDB ChEMBL
120571,C#CC(C)CCC(C(N)=O)N1CC1,1,GDB ChEMBL
21885,CCN(CC1CC1)C(=N)c1ccco1,1,GDB ChEMBL
181626,[NH2+]=CNC(CO)CCCO,0,GDB ChEMBL
271496,C[NH2+]C1C(CO)CC(OS(N)(=O)=O)C1N,0,GDB ChEMBL
271854,COC1C(CO)C12C[NH2+]C(C=O)C2,0,GDB ChEMBL
62802,C#CCC(C)C1C(C)(CC)CCCC1(C)CC,0,GDB ChEMBL
182485,CC(O)C1C(C)N1CC(N)=O,0,GDB ChEMBL
200575,CC(COS(N)(=O)=O)C1C2CNC(=O)C21,1,GDB ChEMBL
177086,NC(=O)CC1(O)COC(=O)C2(CC[NH3+])NC12,0,GDB ChEMBL
334612,CC(CC1CC=CCC1)C1(C)CCCCC1,0,GDB ChEMBL
314951,CC1OC2C(O)CC(C(N)=O)C2O1,0,GDB ChEMBL
156227,CCCN=CN(C(=O)OC)C(C)C(N)=[NH2+],0,GDB ChEMBL
109217,C[NH2+]Cc1ccc(I)c(I)c1,0,GDB ChEMBL
207951,CC(O)C1COc2c(O)cccc2O1,1,GDB ChEMBL
336645,COCCCC1CCC([NH3+])CC1,0,GDB ChEMBL
140844,CCCCC1C2OC(CC2=O)C1C,0,GDB ChEMBL
8659,CCC1OC1(CCOC)C(C)(O)C(=O)[O-],0,GDB ChEMBL
352586,CC(=O)N(C)C(=O)C1(CO)CC1CS(C)(=O)=O,1,GDB ChEMBL
13174,C#Cc1cc(CC(C)(C)C#C)c(N)cc1Cl,1,GDB ChEMBL
8794,C#CC(C)(O)CCC1C[NH2+]C(c2ccoc2)C1,0,GDB ChEMBL
193336,C#CC1(O)C(=O)C(=O)NC(C)=C1CC(C)C,0,GDB ChEMBL
61795,C#CC(CC)(CC)N1CCc2cccc(F)c21,1,GDB ChEMBL
115412,CCC(C)[NH2+]C1C=C(C)C(O)COCC1,0,GDB ChEMBL
148561,COc1cc([C-](C#N)C(C)=O)n(C)n1,0,GDB ChEMBL
112850,Cc1cc2c(c(C[NH3+])c1Br)C(C)C(C)CCN2,0,GDB ChEMBL
148342,NC(=O)C1OC(N)=NC12CC(CO)C(O)C2N,0,GDB ChEMBL
23547,Cc1cc(C2CCC(C#N)C2)c(Br)c(C)c1C,1,GDB ChEMBL
64284,CC12CCCCC(C)(CC1)C1C2C1(C)O,0,GDB ChEMBL
95929,CCCC(C=O)C1[NH2+]C(C)C(C)(CC)C1CC,0,GDB ChEMBL
338159,CC(CC(O)C1C(C)C1(C)C)C(F)(F)F,1,GDB ChEMBL
201382,CCC1COC(=O)C(C)N1,1,GDB ChEMBL
22539,CC(C)C(C)(C)C(C)OC1CC1,1,GDB ChEMBL
179340,CC#CC1=CCC(C)OC(=O)C1,1,GDB ChEMBL
385952,CC1CC2(O)C3C1C(O)C([NH3+])C32CC(=O)[O-],0,GDB ChEMBL
347038,CC(C)[NH2+]CCC=CC1CC(=O)C1,0,GDB ChEMBL
80354,CC1C=CCC(C[NH3+])NC(=O)C[NH2+]C1,0,GDB ChEMBL
235001,N#Cc1cc(O)c(=N)c([O-])nc1N,0,GDB ChEMBL
296610,C#CCC1C(OC)C1OC(C)C,0,GDB ChEMBL
240833,C#CCC1CCC(COCCC(C)(C)C)C1C,1,GDB ChEMBL
203495,O=C([O-])C1CC(C2OCC2=O)NC1=O,0,GDB ChEMBL
179447,CC(NC1C([NH3+])C1O)C(CO)C(N)=O,0,GDB ChEMBL
365713,COC1C(O)CC([NH3+])C2C[NH2+]CC21,0,GDB ChEMBL
284713,CC1CC1[NH2+]C1CC(C)(O)C1,0,GDB ChEMBL
25119,CNC(C#N)CCCCO,1,GDB ChEMBL
391488,C#CC(C)(C)c1cc(F)cc2c1C(C)C(C)C2,1,GDB ChEMBL
70332,CC1CC(=O)OC(CO)(CC(N)C[NH3+])O1,0,GDB ChEMBL
92868,N#CCC1C2C[NH2+]CC1(O)CC(=O)OC2,0,GDB ChEMBL
50882,CN1CC2NC(=[NH2+])NC2(C)c2cc[nH]c2C1=O,0,GDB ChEMBL
366912,C[NH2+]CC1CCC2C=CC(C)C2C1,0,GDB ChEMBL
184251,COc1n[nH]cc1OC1(CC(=O)[O-])CC1,1,GDB ChEMBL
157075,CCCCc1cc(=NC(C[NH3+])COC)cn[nH]1,0,GDB ChEMBL
239130,N#CCCC(COC(=N)C#N)C(=O)NC(=N)N,1,GDB ChEMBL
48754,CCC(C[NH3+])(CO)C1(N)C(=O)OCC1CCO,0,GDB ChEMBL
70092,C#CCC(C(C)C(O)CC)C(C)(O)C#CC,0,GDB ChEMBL
66129,N#CCn1cc(C#N)cc1OS(N)(=O)=O,1,GDB ChEMBL
160007,CCC(O)CC(CC1=CCCC1)OC,1,GDB ChEMBL
149949,CC(OC=O)(C(N)=O)C(O)C1CCOC1,0,GDB ChEMBL
179136,NC(C[NH3+])CNC(=O)Nc1ncns1,0,GDB ChEMBL
79335,C#CC1CC([NH2+]C)C1n1cc(C)nn1,0,GDB ChEMBL
385974,COC1CC(C)C2CC2C1[NH3+],0,GDB ChEMBL
41099,C1=CC2CC[NH+](CC3CC3)C2CC1,0,GDB ChEMBL
24021,CC(C)[NH+]=C(N)CN(C=O)C(=O)NC1CC1,0,GDB ChEMBL
182236,CCC1(O)C(C)C(C)C1CCC(=O)OC,0,GDB ChEMBL
236598,CC1CCC2CC2CCC2C(=O)NCC2[NH2+]1,0,GDB ChEMBL
92339,C#CC1C(O)CCC12CC2(C)COC,0,GDB ChEMBL
311695,NC(=O)N(C(C[NH3+])C(=O)[O-])C1CC1[NH3+],0,GDB ChEMBL
382170,CC1CC=CCCCCC2C[NH+]12,0,GDB ChEMBL
258034,CN=CNC(=O)C(=O)OCC(C)C[NH3+],1,GDB ChEMBL
320731,Cc1cn2nc(O)cc2nc1C,1,GDB ChEMBL
53819,COC1CC(C(C)(C)C)CCC1=NO,1,GDB ChEMBL
119291,CCOS(=O)(=O)N(C)CC(=O)NC,0,GDB ChEMBL
274975,C[NH2+]C1(C)CC(C(C)O)[NH+]2CCC1C2,0,GDB ChEMBL
344303,CC1C2[NH2+]CC1(CC(=O)[O-])C(N)C2C#N,0,GDB ChEMBL
354827,CCCC#CC1(C(CC(C)C)C(C)O)CO1,1,GDB ChEMBL
283446,NC(=[NH2+])C1C(N)C(O)C(O)C(O)C1O,0,GDB ChEMBL
301478,C[NH2+]CC1(C)C2CCC(C)[NH2+]CC21,0,GDB ChEMBL
174009,COC(=O)C(O)C(C)N(C(N)=[NH2+])C(N)=[NH2+],0,GDB ChEMBL
204502,CC1(O)C2CC(O)C3C2CCCC31,1,GDB ChEMBL
51350,Cc1ncc(C(C)(CO)COS(N)(=O)=O)s1,1,GDB ChEMBL
210247,CCCCCC(C)(C)c1cc(I)ccc1C[NH3+],1,GDB ChEMBL
358824,CS(=O)(=O)CCC12CCC=CCC1CC2,0,GDB ChEMBL
357651,COC1C[NH2+]C2CC1C2CO,0,GDB ChEMBL
10593,C#CC(C[NH2+]C)OC1(C2CC2)CC1,0,GDB ChEMBL
30338,CCC1C(C)C1c1cc(Cl)cc(C)c1C,0,GDB ChEMBL
215396,C#CCNc1ncc(F)c(NC(C)=N)n1,1,GDB ChEMBL
215844,NC1C[NH2+]C2C(CO)C(=O)NC12,0,GDB ChEMBL
6057,NC(=[NH2+])C(C1CCC[NH2+]1)C1CO1,0,GDB ChEMBL
257533,CCCC1(C(C)C)CC(O)C(C)CC1C,0,GDB ChEMBL
16479,CCC1C(O)CN(S(C)(=O)=O)CCC1([NH3+])CN,0,GDB ChEMBL
319326,CCCCC1C=CCCCCC2C=C1CO2,0,GDB ChEMBL
60954,Cc1cc(Cl)ccc1CC#CC(C)[NH3+],0,GDB ChEMBL
225470,NC(=O)C12COC1CNC(=[NH2+])NCCCN2,0,GDB ChEMBL
55521,C=C(C#N)CC(C)CC(CC)[NH2+]C,0,GDB ChEMBL
41600,COCC(=O)NC(=N)CC(O)CN1CC1,1,GDB ChEMBL
20521,CC1CC2(CC#N)C=CC(C)(C[NH2+]1)OC2=O,0,GDB ChEMBL
181174,C#CC1CCCOC(C)(CC)CC(C)(C)[NH2+]C1,0,GDB ChEMBL
147999,C#CCCC12CCC(CC)C(C1)C(C(C)C)C2,0,GDB ChEMBL
177837,CC(=O)N1CCC(=NO)C1C(=O)CO,0,GDB ChEMBL
343264,C#CC([NH3+])(CO)CCNC(=[NH2+])NC(N)=[NH2+],0,GDB ChEMBL
124208,CC(O)C1C2CNC(=O)C(CO)S(=O)(=O)N21,0,GDB ChEMBL
235899,COC(c1ncc(CO)c(F)c1CO)C(C)[NH3+],0,GDB ChEMBL
134463,CC#Cc1cc(F)c(F)cc1C(C)C,1,GDB ChEMBL
314939,CC1CCC2C=C(CCC[NH3+])C1C2C,0,GDB ChEMBL
193779,CC#Cc1cc(C)c(Cl)c(C)c1CC,1,GDB ChEMBL
311683,CCOC(=O)C(C)Cc1n[nH]cc1CO,1,GDB ChEMBL
212585,Nc1nc(N)c(NCCC[NH3+])s1,0,GDB ChEMBL
81416,CC(O)(CO)C1(C[NH3+])NC1C(=O)[O-],0,GDB ChEMBL
60671,CC1C(C)C2(C)CCCC(=O)C2C1(C)C,0,GDB ChEMBL
343274,CCCCC1CC(C)=CCC2(CC2)C1,0,GDB ChEMBL
293788,CC(NC(=[NH2+])NC(N)=O)C(O)C(N)=O,0,GDB ChEMBL
300182,CC[NH2+]C1(CCC[NH3+])CC(OC(C)CC)C1,0,GDB ChEMBL
286299,CNC(=O)OC1C(O)C2NCC2(O)C1O,0,GDB ChEMBL
98662,CCC(CC(=O)Oc1c(C)nnn1C)C(C)O,0,GDB ChEMBL
53263,CC(=O)C1CC(CO)C2(C1)CC2C(F)(F)F,0,GDB ChEMBL
382189,Cc1nocc1N(C=O)CC(O)CC[NH3+],0,GDB ChEMBL
47736,C#CC1CCCCC(OC)C1,1,GDB ChEMBL
171303,C=C1CCCC2CCC[NH+](C1)C2C,0,GDB ChEMBL
207664,CC1CC2(C[NH3+])CC2C([NH3+])C1C(=O)[O-],0,GDB ChEMBL
300513,O=CC12CC(C1)[NH+](CC(=O)[O-])CCN2,0,GDB ChEMBL
223312,CC(C=CN(C)C(N)=O)NC(N)=[NH2+],1,GDB ChEMBL
249855,CN1CC[NH2+]C(CCNC(=[NH2+])N(C)C(N)=O)C1,0,GDB ChEMBL
203799,CC1NC2C(=O)C(C1C=O)C(C)(C)CC2O,0,GDB ChEMBL
6050,CCC1(CC2[NH2+]C(CC(C)C)CC2C)CC1,0,GDB ChEMBL
336619,CC1=CC23CC2(C)COCCCCC3C1O,0,GDB ChEMBL
85653,COC1CC(O)CC(O)C2[NH2+]CC12,0,GDB ChEMBL
118494,N#CC(N)(CN)CN(CC(N)=O)C(=O)CO,1,GDB ChEMBL
199020,CC[NH+]1CC(C[NH3+])(C(=O)[O-])C1,0,GDB ChEMBL
313308,C=C(C)C(C)(C)CC=CC[NH2+]CC,0,GDB ChEMBL
35708,C#CC(=O)c1c(F)cc(CC)nc1CC,1,GDB ChEMBL
286137,C#CC1C(CCC)C2C([NH2+]C)C1[NH+]1CCCC21,0,GDB ChEMBL
335520,Cc1c(C#N)c(C=O)c2c(c1C#N)OCCN2,1,GDB ChEMBL
122897,COC1(C(=O)[O-])CNC1C=O,0,GDB ChEMBL
251916,COC1C(C)CC(C)C2CC([NH3+])C1C2,0,GDB ChEMBL
132548,CCC(C)OC1C(=O)OCC1(N)C(F)(F)F,0,GDB ChEMBL
354347,CCc1cc(C)c(Cl)c(CCCC(C)CC)c1,1,GDB ChEMBL
308291,Nc1ccc(O)c(N)c1Cl,1,GDB ChEMBL
305371,N#CCCN1C(=O)CN=C1N,1,GDB ChEMBL
386675,COC(C)CC(C)CC(C)[NH3+],0,GDB ChEMBL
67811,C#CC1CC[NH+](C)C1C([NH3+])C(C)(CC)C(C)C,0,GDB ChEMBL
85710,C#CCNC(C([NH3+])CO)C1CC1,1,GDB ChEMBL
251003,N=COC(=O)c1c([O-])noc1CCC(=O)[O-],0,GDB ChEMBL
81483,OCC12CC(O)C(C1)C(C1CC1)[NH2+]2,0,GDB ChEMBL
44617,[NH3+]CC12CC1C1[NH2+]CCOC1CC2O,0,GDB ChEMBL
147908,C#Cc1c(Cl)cc2c(c1Cl)CC1(C)CCCC21,1,GDB ChEMBL
193251,CC1=CC2(C(F)(F)F)COCCC1C2,0,GDB ChEMBL
194500,Nc1cnc(C[NH3+])c(Br)c1,1,GDB ChEMBL
115966,CC(O)C1OCC2NC(=O)C13OC23,0,GDB ChEMBL
119252,CN1CC2(C)C(=O)C1CC2C(N)=[NH2+],0,GDB ChEMBL
309657,Cc1cnc(C[NH3+])ccc1=O,0,GDB ChEMBL
349937,CC1CC1(O)C1C(O)CCOC(=O)C1N,0,GDB ChEMBL
331192,Cc1n[nH]c(C(=N)OCCNCC[NH3+])c1CO,0,GDB ChEMBL
203887,C#CC(NC(N)=[NH2+])C1C(=O)N(C)CC(=O)C1O,0,GDB ChEMBL
398910,CC1(C)OC(C2CC=CC2)OC1CO,1,GDB ChEMBL
195276,C=C(C)CCC(C)CC1CCCC1,1,GDB ChEMBL
35428,O=C(CO)NCC1(CS(=O)(=O)[O-])CO1,0,GDB ChEMBL
177128,CNC(C[NH3+])C1C([NH3+])C1C(N)=O,0,GDB ChEMBL
313338,CCc1cn(CC(=O)OC)c(=[NH2+])n1C,1,GDB ChEMBL
45935,CCCC1C=CCC1[NH+](C)C,0,GDB ChEMBL
279223,C#CC(O)C(C(=O)OC)C(N)C#N,1,GDB ChEMBL
216488,NC(=O)C(O)C(N)C(=O)OCC[NH3+],0,GDB ChEMBL
157483,C#Cc1cn(C)c2c1CCCC2CO,1,GDB ChEMBL
244557,CCCC1C(C)C(C)C(C)(COC)C1C,0,GDB ChEMBL
227907,C=CC1(C(CCC)=NO)CC([NH2+]C)C1,0,GDB ChEMBL
40063,CCc1ccc2c(c1C([NH2+]C)C(C)C)CCN2,0,GDB ChEMBL
358184,C[NH2+]C(CCC[NH3+])COCC(OC)C1CC1,0,GDB ChEMBL
23596,CCOCc1ccc(C(C[NH3+])C2CCC2)o1,0,GDB ChEMBL
387210,C[NH+]1CCC2C3CC=CCCCC32C1,0,GDB ChEMBL
347972,CC#CC(C)NC(N)=NC(C)C#N,0,GDB ChEMBL
299579,C#CC(C)CC1CC(C)CC[NH2+]C1COCC,0,GDB ChEMBL
13137,CCC(OC)c1nncc(CS(C)(=O)=O)n1,1,GDB ChEMBL
317696,C#CC(CCC)OC1(C)CC1,1,GDB ChEMBL
218550,C#CCCc1c(N)c(F)cc(F)c1C(C)(C)C,1,GDB ChEMBL
288113,CCCc1nc(N)oc1C#CCS(C)(=O)=O,0,GDB ChEMBL
35009,CCC([NH3+])C(N)C1CCCO1,0,GDB ChEMBL
168447,CCNc1cc(OCC)c(C(C)C)c(Br)c1Br,1,GDB ChEMBL
146077,NC(=O)C1(C(=O)[O-])C=CS(=O)(=O)CCN1,0,GDB ChEMBL
394225,Cc1cccc2c1CC1C3C=CCC231,0,GDB ChEMBL
97107,CC(O)COC1C(C)OC(C(=O)[O-])C1C,0,GDB ChEMBL
101058,C[NH2+]CC1CCN1C(C)C,1,GDB ChEMBL
83496,Cc1ccc2c(cc1=O)N(CC(N)=O)CCC2,1,GDB ChEMBL
265263,CC1OC(C[NH2+]CCO)C2CC1C2C(N)=[NH2+],0,GDB ChEMBL
16046,CC1([NH3+])CC1,1,GDB ChEMBL
163849,CNc1c(NCC[NH3+])cnc(C[NH3+])c1F,0,GDB ChEMBL
160338,NC(=O)OCC(=O)NCC(=O)NCCC=O,1,GDB ChEMBL
84525,CC(=O)NC12COC(C1)C(OC(N)=[NH2+])C2,0,GDB ChEMBL
70887,OCC1CCC2CCC(C1)C2,1,GDB ChEMBL
204519,COCCOC1C(C)C1C#N,1,GDB ChEMBL
5276,CCC(=O)c1c(NCC(C)O)nc([O-])sc1=N,0,GDB ChEMBL
305849,C#CCCCc1cc(CC)c(C(C)C)cc1F,1,GDB ChEMBL
280748,CC(=O)N1CCC2CC3(CO3)CC1C2[NH3+],0,GDB ChEMBL
251929,C#CCc1c(OCC)ccc2ccc(C)cc12,1,GDB ChEMBL
210282,CCC(O)C1OC(=O)C(C)(C=O)CC(O)C1C,0,GDB ChEMBL
377281,CCc1c(C(=O)CO)cc(Br)c2ocnc12,1,GDB ChEMBL
239972,C#CC(CC)(CCO)CCOC,1,GDB ChEMBL
362562,Cc1cc(C2CC3C(C)C2C3C)ccc1F,0,GDB ChEMBL
225066,N#CC(=O)[N-]C1CC(O)(C[NH3+])C1,0,GDB ChEMBL
334409,CNc1nccc(CC2(C)COCC[NH2+]2)c1F,0,GDB ChEMBL
80451,C[NH2+]C1C(=N)NC(C(N)=O)C(O)C1(C)O,0,GDB ChEMBL
294795,CC1C[NH+](CC2CC2(C)C)C1,0,GDB ChEMBL
177139,O=C([O-])C12C3CCC(CO3)C1[NH2+]CC2(O)CO,0,GDB ChEMBL
166422,O=C1CC(=O)N2CC=CCCC2C1,1,GDB ChEMBL
225039,CC1CC2C(C1)C2C1CCC[NH2+]CC1,0,GDB ChEMBL
389431,CC(C)c1noc2c1CNC(CO)CCC2=O,0,GDB ChEMBL
175883,C1=CC2CC3C(CC2C1)C3c1ccccc1,0,GDB ChEMBL
334705,CCCc1ncscc(NC)c([O-])c(N)n1,0,GDB ChEMBL
351300,CCCC(C)(CC#N)c1c(O)ccc(Cl)c1C,1,GDB ChEMBL
274932,CCC1(N)C(=O)OC(C)CC1N(C)C(C)=O,0,GDB ChEMBL
73818,CCc1nc(Cl)c(N)nc1CN1CC1,1,GDB ChEMBL
379883,NC(=O)C1NC2C(O)CNCC(=O)OC2C1N,0,GDB ChEMBL
34831,Cc1c(F)ccc2c1C1CC2CC1[NH3+],0,GDB ChEMBL
71716,CC(O)C(=O)NC(=N)OCC(N)=O,1,GDB ChEMBL
252088,CCC1(CC(O)CC=O)C[NH2+]C(C)CO1,0,GDB ChEMBL
264024,CN1CC1c1c(N)cccc1N,0,GDB ChEMBL
372686,CC(=O)N1CCC[NH2+]CCC12CC2,0,GDB ChEMBL
255985,CCC(C)C(C#N)(CC[NH3+])C(=O)OC,0,GDB ChEMBL
202805,CCC1CC=C(C(C)C(F)(F)F)C1,0,GDB ChEMBL
214431,CC(=O)NCC#Cc1ncnc(O)c1F,1,GDB ChEMBL
277908,CNC(=O)C1C(N)C([NH3+])C1N,0,GDB ChEMBL
351398,NC1C=CC(C[NH3+])C(O)COC1=O,0,GDB ChEMBL
9805,CCC1(CO)CC(C=O)[NH+](C)C1C,0,GDB ChEMBL
375456,C#CC1C(CCC(F)(F)F)C=CCC1CC,0,GDB ChEMBL
184495,CC(C)CC1C=CC2(CCC2)C1(C)C,1,GDB ChEMBL
326485,C#Cc1cc(C=O)cc(C)c1CC,1,GDB ChEMBL
261412,C=CC(C)C(C(C)=O)C(CC)[NH2+]C,0,GDB ChEMBL
235897,COC1(C)CCCC(C)(C)C=C(C)C1,1,GDB ChEMBL
185934,CCCCCC(C)C1(COC)CC(C)C1,0,GDB ChEMBL
337440,NC(=[NH2+])NCC1C(C[NH3+])C[NH2+]C1C(N)=O,0,GDB ChEMBL
1060,CCCCCC1CCC=CCC(C)CC1C,0,GDB ChEMBL
378614,COC(CNC(N)=[NH2+])c1cc[nH]n1,0,GDB ChEMBL
76919,C#CC(CO)C(=N)N(C=O)CCCO,0,GDB ChEMBL
217073,C=C(C)CCC1(OC)CCC(C)C1,1,GDB ChEMBL
136142,C#CCC1C[NH2+]C(C(OC)C(C)[NH3+])C1C,0,GDB ChEMBL
362201,CCOC(C)C1CCC=CC1(C)C(C)C,0,GDB ChEMBL
390117,COCC1(O)C2CC1N(S(C)(=O)=O)C2C=O,0,GDB ChEMBL
398961,N#CC(C(C(N)=[NH2+])C(=O)[O-])n1ncnn1,0,GDB ChEMBL
204418,CC(O)C1N(CC#N)C(=O)C1(N)CO,0,GDB ChEMBL
184871,N=C(N)NC(=O)C#CCS(=O)(=O)[O-],0,GDB ChEMBL
292276,C[NH+](C)CC(C[NH3+])NC=O,0,GDB ChEMBL
107822,NC(=[NH2+])OC(C[NH3+])CNC(=O)CO,0,GDB ChEMBL
254973,N#CC(NCC1CC2(O)CC1(O)C2)C(=O)[O-],1,GDB ChEMBL
362858,Cc1csc2c1CC(C)CC=CC(=O)NC2,1,GDB ChEMBL
198671,C#CC(=O)CCC(C)[NH2+]CCOCCO,0,GDB ChEMBL
136662,CCCC1OCC([NH3+])CC(CC)C1C,0,GDB ChEMBL
227620,CC(C)c1ccn(CC#CCCO)c1,1,GDB ChEMBL
181107,[NH3+]CCC(=O)N1C2CC(O)C1C([NH3+])CC2O,0,GDB ChEMBL
125666,CC1CC2CC3OC(=O)C1C3C[NH2+]2,0,GDB ChEMBL
31423,C1=C2CC(C1)CC1CCC[NH+](C2)C1,0,GDB ChEMBL
221680,CC(=O)C1C(C)=CCC2CCCC1(O)C2,0,GDB ChEMBL
82123,CCCC(C)[NH2+]C1CN2CC2C1CC,0,GDB ChEMBL
374056,C#CC1[NH2+]CCC1(C)C1CC1,0,GDB ChEMBL
38538,CC1OCC1N=C(N)OCC[NH3+],0,GDB ChEMBL
259510,N#CC(O)CC(O)C1CC(O)C(CC(=O)[O-])[NH2+]1,0,GDB ChEMBL
191565,C#CC1CCC2(C)CCC(=O)N12,0,GDB ChEMBL
236524,CCC1(O)C(C(N)=O)C1(C)C(O)CC[NH3+],0,GDB ChEMBL
330923,CC(C[NH3+])CC1OCCc2nc[nH]c21,0,GDB ChEMBL
184674,Nc1nc(CCOC2=NCCN2)cs1,1,GDB ChEMBL
395589,C[NH2+]CC(C(C)C)C1OCC([NH3+])C2CC[NH2+]C21,0,GDB ChEMBL
338102,CC(C#N)C(=[NH2+])N1CCC(CC(=O)C(=O)[O-])C1,0,GDB ChEMBL
257447,Cc1ccoc1C1CNc2cncc(F)c21,0,GDB ChEMBL
244473,[NH2+]=C1C=C(CC(C=O)NC=O)CC(O)CN1,0,GDB ChEMBL
177863,NC(=O)COC(CO)CC1(C=O)C[NH2+]C1,1,GDB ChEMBL
24735,COC(=O)C1(C)C([NH3+])C1C([NH3+])C(=O)[O-],0,GDB ChEMBL
186607,CC(C)C1(CC(N)=O)CN1,1,GDB ChEMBL
118148,OC1C[NH2+]C2CC(C2)OC1,0,GDB ChEMBL
278155,CC(CO)CCC1(CO)CC[NH2+]1,0,GDB ChEMBL
337939,CCCCCC1=C(C)C(C)CC1CC,0,GDB ChEMBL
143498,COC12C3C[NH+](C)CCC1(O)COC32,0,GDB ChEMBL
307916,CCC[NH2+]C1CCC=C2C(O)CC2C1OC,0,GDB ChEMBL
56617,CN=COC(CC[NH3+])CCc1cn(C)nc1C,0,GDB ChEMBL
367599,CC1C=CCC[NH2+]CCOC2C1CC1CC12,0,GDB ChEMBL
324293,CC(=O)N1CC2NC(=[NH2+])OCC21CC(=O)[O-],0,GDB ChEMBL
8652,C#CC(N)(C(N)=O)C(C)c1ccsc1,1,GDB ChEMBL
197030,C[NH2+]C1CC1CC1C(C)C(C)C2CCCC21,0,GDB ChEMBL
153268,O=CC1OC1C1CCC2CCC[NH+]2C1,0,GDB ChEMBL
310760,CC1CCOC(=O)N1Cc1cc(N)on1,1,GDB ChEMBL
337171,COCCCCNc1cc(Cl)csc1=N,0,GDB ChEMBL
228844,Nc1ncnccc(N)c(C(=O)[O-])s1,0,GDB ChEMBL
203198,CC([NH3+])C1CC2(C)CCCCC2C1C[NH+](C)C,0,GDB ChEMBL
244511,C#Cc1c(O)cc(CCO)c(CC(C)=O)c1N,1,GDB ChEMBL
235909,C#Cc1c(N)cc(N)[nH+]c1NC,0,GDB ChEMBL
61512,COCCC1CC([NH3+])C2C3CC(OC)C1C32,0,GDB ChEMBL
277711,O=C1N=CS(=O)(=O)[N-]c2cc(Cl)ncc21,0,GDB ChEMBL
189820,CC[NH+](C)CCc1nnc(=O)[nH]c1CO,0,GDB ChEMBL
382203,CCC(C)(CC#N)[NH+]1CCC(C)C(C)C1,0,GDB ChEMBL
299743,O=C([O-])C(O)COCCn1ncnn1,1,GDB ChEMBL
298927,O=C1NC(C2=CC(O)C3CC23)CO1,0,GDB ChEMBL
313297,C#CCC(C(C)C)C([NH3+])c1c(CC)ccn1C,0,GDB ChEMBL
236590,C[NH2+]C(CO)COC(CO)CC#N,0,GDB ChEMBL
174193,CCNC(=O)C12COC1C2[NH3+],0,GDB ChEMBL
190819,N=C(N)NC(=O)C(N)COC(N)=O,1,GDB ChEMBL
111576,CCC(=O)N(C)C(=O)OC(=N)S(N)(=O)=O,0,GDB ChEMBL
262561,CCC(C)c1cccc(C2CCC(C)C2)c1Br,1,GDB ChEMBL
22804,CC(C)CC(O)c1ncccn1,1,GDB ChEMBL
175519,C#CC[NH2+]C(C)(C)COC=O,1,GDB ChEMBL
294811,N#CCC(O)C(OC(=O)CO)C(=O)[O-],0,GDB ChEMBL
286306,O=C1NCCOC2CC12O,1,GDB ChEMBL
26923,CCCC1(C(=O)NCC)[NH2+]CC1CC[NH2+]C,0,GDB ChEMBL
305257,CNC(=[NH2+])OC(CNC(=O)C[NH2+]C)CC(=O)[O-],0,GDB ChEMBL
203654,CCC1=C(C(=O)[O-])CC[NH2+]C(C)C2OCC12,0,GDB ChEMBL
366533,CC1CCCC=CCC(C)(C2CC2C)C1,0,GDB ChEMBL
372226,COCC12C=CCC1CC(C)C(CCO)C2,0,GDB ChEMBL
203834,Nc1nc(CC2(O)C=C(C=O)CC2)cs1,0,GDB ChEMBL
251418,CCC(C#N)C1(CC[NH3+])NCC1O,0,GDB ChEMBL
180953,CCCOCc1cc(CC[NH3+])c(C)cc1F,0,GDB ChEMBL
100736,CCc1cccccccn1CC(C)C,0,GDB ChEMBL
77863,CCOC(C=O)CC(C)C,1,GDB ChEMBL
174243,NC(=[NH2+])C1(CC[NH3+])CC([NH3+])C(O)C(C(=O)[O-])N1,0,GDB ChEMBL
255372,CC1CC=C2CC(CC(C)(C)C)CC21,0,GDB ChEMBL
279987,CC1C2CCCC(CCC2)CC12CCCCC2,0,GDB ChEMBL
207302,CCC1C2CC1c1cc(C)ccc12,1,GDB ChEMBL
34785,Cc1nc(C2CC2)c(C)c2c1OCCC2[NH3+],0,GDB ChEMBL
349509,CCC12CC3C[NH2+]C1C2C(=O)O3,0,GDB ChEMBL
352685,CC(N)=CC(=O)Nc1c[nH]nc1C,1,GDB ChEMBL
341847,COC1CC(C(C)=O)C2CC1CCC2C(C)C,0,GDB ChEMBL
163876,CCC1C=CCC1c1c(Cl)ccc(C)c1C,1,GDB ChEMBL
252640,[NH3+]C1CC1C1C(O)CNC(=O)C1[NH3+],0,GDB ChEMBL
331151,C[NH2+]C1CCC2(C1)C(=O)C(C)=CC2C,0,GDB ChEMBL
260179,NC(=O)N1CCC2C(OS(N)(=O)=O)C21,0,GDB ChEMBL
187230,CN1C(=O)C2OCC3CC([NH3+])CN3C2C1C#N,0,GDB ChEMBL
271115,COC(C[NH3+])C(O)CN(C)CC#N,0,GDB ChEMBL
180010,CNC(=O)CCC1(N)C(N)=[NH+]CC1N,0,GDB ChEMBL
242653,C#Cc1cc(C)ncc1I,1,GDB ChEMBL
153695,CCCC[NH+]=C(NCC[NH3+])C(N)C[NH3+],0,GDB ChEMBL
103451,C#CCCCCCC1CC(C)C2(CCC2)C1,1,GDB ChEMBL
230476,C[NH2+]CCCC(C)(C)COC,0,GDB ChEMBL
132190,COCC(CC[NH3+])N=c1cccn[nH]c1=O,0,GDB ChEMBL
294437,CC(=O)N1CCC=CC1C(=O)N1CC1,1,GDB ChEMBL
44308,C#CC1(C#C)[NH2+]C(C)C(CCC)C(O)C1(C)C,0,GDB ChEMBL
122978,COC(=O)CC1=NC(COC(N)=O)C(C#N)O1,0,GDB ChEMBL
178018,NC(C#CCC[NH3+])=[NH+]CC(=O)[O-],0,GDB ChEMBL
38941,COC1C(C(C)C)C2C(=O)CC1(C)C2C,0,GDB ChEMBL
143478,O=C1CN=C(N2CCCC2=O)C2C[NH2+]C1C2,0,GDB ChEMBL
151232,O=[N+]([O-])c1cnc(N2CCCC2)nc1O,1,GDB ChEMBL
133296,CCC(C)C(CC)CC([NH3+])C(C)C(C)C,0,GDB ChEMBL
351388,CC#CCCOC(CCCC)C(C)C(C)C,1,GDB ChEMBL
81139,C#CC1NCCC(=O)NC(C)C1O,0,GDB ChEMBL
169432,CCC1C2C(O)(C[NH+]1C)C2(CO)N(C)C,0,GDB ChEMBL
226231,COC(=N)N(C(C)=N)C(=[NH2+])NCC#N,0,GDB ChEMBL
174910,NC(C([NH3+])CO)C12C[NH2+]C(C1)C(=O)N2,0,GDB ChEMBL
87137,[NH3+]CC(CNC(C[NH3+])C[NH3+])Cn1cnnn1,0,GDB ChEMBL
25216,[NH2+]=C1NCCC1C1OC1C(=O)[O-],0,GDB ChEMBL
363019,CCC(C1CCCC1)C1CCC2CCOC21,0,GDB ChEMBL
175711,CC(C)(CO)N(CC(=O)[O-])C(N)=[NH2+],1,GDB ChEMBL
232059,CC(C)N1CCn2cccc21,1,GDB ChEMBL
221091,CC1COCC(C[NH3+])CO1,0,GDB ChEMBL
18643,CCc1nc(O)cc(I)c1NC,1,GDB ChEMBL
295884,Cc1ncnc(C#CC(N)=O)c1C(N)=[NH2+],0,GDB ChEMBL
107666,COc1nc(Br)cc(Br)c1CCCC=O,1,GDB ChEMBL
323205,CNC(=O)C1C2C=CC(C2)CC1(N)C[NH3+],0,GDB ChEMBL
22803,CC1CC=C(CCO)C1(C[NH3+])CC#N,0,GDB ChEMBL
300167,CCC1(CC=O)C=CC[NH2+]CCCC1,0,GDB ChEMBL
61791,CC1=CCC(C)C2(C=CCC1)CCC2,0,GDB ChEMBL
207724,CC(C#CCO)OCCO,1,GDB ChEMBL
304453,COCC(C)([NH3+])COC(=O)c1cc([O-])no1,0,GDB ChEMBL
325698,O=C1OC2C(O)CC(C1CO)N1CC21,0,GDB ChEMBL
330962,C[NH2+]CC1CC2CC1C1CC[NH+]2CC1,0,GDB ChEMBL
244676,CC(C)NC(=O)NCC1OC1C(C)[NH3+],0,GDB ChEMBL
354979,CCC12C=CCC1C(C#N)CC([NH3+])C2,0,GDB ChEMBL
65909,CNC(=[NH2+])C(C)(CO)N(C=O)CC[NH3+],0,GDB ChEMBL
362043,CC1(O)C(O)C(NC(N)=O)C1C(N)=O,0,GDB ChEMBL
266214,CCc1c(F)c(F)c(C(C)=O)n2ccc(C)c12,1,GDB ChEMBL
369305,CCC1CCC2C(C[NH3+])C2C(C)(C)C1,0,GDB ChEMBL
137110,N#CC1NC2CCC(O)C2(CC(N)=O)CC1N,0,GDB ChEMBL
312557,CCc1c(O)cc(CC2(C)CC([NH3+])C2)n1C,0,GDB ChEMBL
303355,COC(CCC[NH3+])C1CC2C3C[NH2+]CC32C1,0,GDB ChEMBL
358613,COC(=O)C1(C(N)=O)CNC(=O)O1,1,GDB ChEMBL
76756,C#CCCC1CC(C)CCC1C,1,GDB ChEMBL
377286,CC(O)C1C(=O)N(C)C(=O)C1N,1,GDB ChEMBL
353231,C[NH2+]C1C(N)C1C1OCCN(C(N)=O)C1=O,0,GDB ChEMBL
251454,C#CC1CC[NH+](CC(C)C)C2CN1C2,0,GDB ChEMBL
21712,CCCC1C=C(C)C=C(C)CCC1(C)CO,0,GDB ChEMBL
173156,Cc1nc(CCO)ccc1C(=O)[O-],1,GDB ChEMBL
119907,CC1COCC1C1[NH2+]CC(O)CCCCC1[NH3+],0,GDB ChEMBL
299597,CC1CC2(C=O)C(O)C2N(C)C(=O)C(=O)O1,0,GDB ChEMBL
127729,CC[NH2+]CC1CC2(C)CCC3C(C)OCC1C32,0,GDB ChEMBL
263999,Cc1coc(C#N)c1C(=O)[O-],1,GDB ChEMBL
305196,NC(N)=[NH+]C1CC(OC(=O)CS(N)(=O)=O)C1,0,GDB ChEMBL
120891,COC(=O)NC(=O)NCC(N)=[NH2+],1,GDB ChEMBL
104744,CC(C)CCC1(COCC(C)C)CC=CC1,1,GDB ChEMBL
82145,C=CC#CCc1cc(C)cc(Cl)n1,1,GDB ChEMBL
120418,N#CC12CC(=O)N(C=O)CC1C2CO,0,GDB ChEMBL
104986,CC1CN(C)CC2(O1)C(C)C2C(=O)CO,0,GDB ChEMBL
40354,C=CC(C#N)(C(C)[NH3+])C(CC)CO,0,GDB ChEMBL
221913,CC(=O)N(C=O)c1nc(C[NH3+])cs1,1,GDB ChEMBL
42246,COC(=O)C1C(C)C2([NH3+])CC12,0,GDB ChEMBL
337831,CC1CC(O)CC2CC([NH2+]1)C(CO)CCC2C,0,GDB ChEMBL
72039,CC(O)C1CN1C(=O)Nc1nn[n-]n1,0,GDB ChEMBL
225843,CCC(CC1CC2CC=CC1CCC2)[NH2+]C,0,GDB ChEMBL
6874,CCC(C)[NH+]1C(C)CC(C(C)(C)O)C1C,0,GDB ChEMBL
45736,CC1NC(=O)CC(O)C2CC(C#N)OC12,0,GDB ChEMBL
244649,CC(C)C1CCCCc2cc(F)cc(c2)OC1,1,GDB ChEMBL
44097,CCCCC1C2C[NH2+]C1C21C(C)=CCC1O,0,GDB ChEMBL
79542,CCC(NS(C)(=O)=O)C(C)C=O,1,GDB ChEMBL
252335,CC(O)C(=O)N(C=N)C1COC(=O)C1O,0,GDB ChEMBL
244592,NC1=NC(C(=O)[O-])C2OC2C(=O)N1,0,GDB ChEMBL
28379,CCCC1(C)C2CC1C(C)(OCC)C2,0,GDB ChEMBL
198627,CCC1(C)CC2(C[NH2+]1)CC(OC)CN2C(N)=O,0,GDB ChEMBL
16514,C[NH2+]CC1(C)OC(C)OC(C2CC2)C1C,0,GDB ChEMBL
50307,CCc1cc(C)c(C(C)C)c(C2CC2)c1F,1,GDB ChEMBL
76961,CC1CC(O)C(C)(O)CC1C,1,GDB ChEMBL
26345,CC12[NH2+]CC(CC1O)NC2C(N)=O,0,GDB ChEMBL
106663,C[NH+]1CC2CC3C=CCOC(=O)C3C21,0,GDB ChEMBL
391817,[NH3+]C(C(=O)[O-])C1C2(O)COC3CCOCC312,0,GDB ChEMBL
174846,O=C([O-])CC12CN=C3NC(=O)C1N32,0,GDB ChEMBL
281956,CCOC(=O)C1CCC1[NH3+],1,GDB ChEMBL
300700,CCC1=CCCCc2cc(Br)ccc2CC1,0,GDB ChEMBL
246973,CCC1=CCCCCC=C(C)C(C)C1,1,GDB ChEMBL
124288,CC(O)C1OC2CC(CO)NC(=[NH2+])C1C2,0,GDB ChEMBL
292190,CC1CC=CCC2(C)CCC([NH+](C)C)C12,0,GDB ChEMBL
249589,CC1C=CC2CCC1C2C(C)C[NH3+],0,GDB ChEMBL
359082,[NH3+]CC1OC(=O)N2C(CO)C2C1O,0,GDB ChEMBL
105119,CC1(C)CCC2C(=O)OC1C21CC1CO,0,GDB ChEMBL
294205,Cc1ccncc1C1([NH3+])CCC1,0,GDB ChEMBL
105094,NC(=O)C1C(C2CCC2)=CC(O)C1O,1,GDB ChEMBL
216161,CN=C(NC(N)=[NH+]C)NC(C#N)CNC(C)C,0,GDB ChEMBL
100684,O=C(CS(=O)(=O)CCO)Nc1nn[n-]n1,0,GDB ChEMBL
33509,[NH3+]CC1CCCOCC2C([NH3+])C12,0,GDB ChEMBL
368477,CCCCC1=CC(CC(C)(C)C)CCC1,1,GDB ChEMBL
140323,COC1CC=CCCC(C)NC1C1CC[NH2+]1,0,GDB ChEMBL
288472,CC1CC(C2C([NH3+])C2CO)CNC1=O,0,GDB ChEMBL
316124,CC(C[NH3+])C(CO)OC(CO)C1COC(=O)N1,0,GDB ChEMBL
98578,CC(COC(=O)C1CN1)OCC[NH3+],0,GDB ChEMBL
140821,C#CC=CC(CC=C)C(C)CCC,0,GDB ChEMBL
383752,CCCC(CCC)CC[NH2+]C(CC)CC(C)C,0,GDB ChEMBL
288586,CC(C)C1(C)CCCC2(CCC1)CC2,1,GDB ChEMBL
92837,CCC1(C)C2CCC1C1(C)CNC(=O)C21,0,GDB ChEMBL
177051,CC(CNC(=O)OC=N)C1OC1C(=O)[O-],1,GDB ChEMBL
316170,CCC(CO)C1(O)CC2OC(=O)NCC1C2=O,0,GDB ChEMBL
199425,CCC(NS(=O)(=O)C1OC1CO)C1CC1,0,GDB ChEMBL
252696,CC1[NH2+]CCN(CCO)C12CC2,0,GDB ChEMBL
394905,CNC1C(C#N)NCC(O)C1[NH3+],0,GDB ChEMBL
141871,CNC1(CO)C(OC)C1C([NH3+])C(=O)[O-],0,GDB ChEMBL
11028,CCC1(O)C(COC)N(CC(=O)[O-])CC1(C)[NH3+],0,GDB ChEMBL
225035,CCc1csc(CC2C=C(C)CC2C)n1,0,GDB ChEMBL
378124,O=C([O-])CC(CO)C(O)CO,0,GDB ChEMBL
363573,CN1CC([NH3+])Cc2cccn2C1=O,0,GDB ChEMBL
306326,COCC(C)(C)C1([NH3+])CCC[NH+](C)CC1(C)O,0,GDB ChEMBL
378944,CC1CCCCC2CC=CCC1C2,0,GDB ChEMBL
124140,COC(C(=O)[O-])C1=NCC=CCO1,0,GDB ChEMBL
23544,CC(C)(O)c1ccc(Br)c(N)c1,1,GDB ChEMBL
258295,CCC12CCC1([NH3+])C(C(=O)[O-])CC2O,0,GDB ChEMBL
308127,C#Cc1ccc(Cl)c(C)c1C#CCC,1,GDB ChEMBL
394341,CC#CCC(C)C1CCC=CC=C1C,0,GDB ChEMBL
332481,C#CCC1c2ccccc2C(=O)C(C)C1(C)C,0,GDB ChEMBL
86732,CCNc1nc[nH]c1CCO,1,GDB ChEMBL
358196,CCN(C=O)C(C)CC1(C)C=CC[NH2+]1,0,GDB ChEMBL
217152,NC(=[NH2+])C1C(O)CC[NH+]=C(N)CN1CCC[NH3+],0,GDB ChEMBL
203836,CC[NH2+]C1C2CC([NH3+])C(C2)C(O)C1O,0,GDB ChEMBL
24286,CCC1CCCC2CCC1C(O)C2C,0,GDB ChEMBL
129824,CC1(C)CCC2CC(CCO)CC1(CC#N)C2,0,GDB ChEMBL
353259,N#Cc1c(N)csc1C1CC1,1,GDB ChEMBL
29590,CCC1=CC=CCCCCC(=O)CC1,0,GDB ChEMBL
59646,CC[NH2+]C1CN(CC(C)CC(N)=[NH2+])C(=O)C1O,0,GDB ChEMBL
4839,NC(=O)N1CCNC(=[NH2+])C(C=NO)C(O)C1,0,GDB ChEMBL
181688,N#CC1C(=N)NC(=O)C2C(C(=O)[O-])C12,0,GDB ChEMBL
210970,CN=C(OC)N(CC#N)C(C)CC(C)C,1,GDB ChEMBL
210224,O=C([O-])CC(O)c1nc(CO)no1,1,GDB ChEMBL
265481,COC(C=O)CC(=O)CCCC(O)CCO,1,GDB ChEMBL
186578,C#CC1C[NH2+]C2CC=CCC(C1)C(=O)NC2,0,GDB ChEMBL
341177,CN1CC2C[NH+](CCC2(C)O)CCS1(=O)=O,0,GDB ChEMBL
387328,CCc1c(F)ccc(N(C)CC)c1C,1,GDB ChEMBL
337106,Cc1ccccc(C)[nH]c(C(F)(F)F)c1,0,GDB ChEMBL
181538,C#CC(CO)CC1CCCCCC1(C)CCC,0,GDB ChEMBL
199488,CC1CCC=CCC1CC1CCC1,1,GDB ChEMBL
331450,CC(=O)NCC(=O)[N-]S(=O)(=O)C1CC(=N)O1,0,GDB ChEMBL
398873,CCNC(=O)c1oc(N)nc1N,1,GDB ChEMBL
392728,CC[NH+]1CC(C)OCCC1C,0,GDB ChEMBL
239975,CCCCC1CC(O)C1CO,0,GDB ChEMBL
165214,CCc1cc(C)c(Cl)c2c1CC(C1CC1)N2,1,GDB ChEMBL
148865,[NH3+]C(C(CO)CO)C(O)C(O)CO,0,GDB ChEMBL
77347,NS(=O)(=O)c1ccnn1CCC[NH3+],1,GDB ChEMBL
363833,CCc1cccc2c(Cl)c(C)c(C)c(CC)c12,1,GDB ChEMBL
398790,CC1CC2C(=O)CC([NH2+]1)C2O,0,GDB ChEMBL
99135,CC(=O)NC1C2CC1OC1(CNS(=O)(=O)C1)O2,0,GDB ChEMBL
97088,O=C([O-])C[NH+]1CC2(C=C(C(=O)[O-])COC2)C1,0,GDB ChEMBL
152522,Nc1cncnc1CCC(F)(F)F,1,GDB ChEMBL
236569,Cc1cc(C)c2c(c1C)OC(C)C2(C)C,1,GDB ChEMBL
121523,CC#CC(C)c1c(C)cc(Cl)c(C)c1C,0,GDB ChEMBL
396783,CC(=O)NC(=N)c1nc(=O)nc(CO)cc1[O-],0,GDB ChEMBL
330513,N#CC1C[NH2+]CC1(O)C(N)=O,0,GDB ChEMBL
271139,COC(CCOS(N)(=O)=O)C1CN1,0,GDB ChEMBL
76963,CC1=[NH+]CC(C(Cc2cc(C)no2)C(C)[NH3+])N1,0,GDB ChEMBL
98583,C#Cc1cc(C)cc(C(CC)CC)c1C#C,1,GDB ChEMBL
156230,CC(C)CCCCC1CC1C,1,GDB ChEMBL
93114,O=C([O-])CC1(O)C(O)C2NC(=O)NC21,0,GDB ChEMBL
122825,N=CN(C(N)=O)C(CO)CCS(N)(=O)=O,0,GDB ChEMBL
195527,CCC1C2C=CC(c3cc(C)cc(Cl)c3)C21,1,GDB ChEMBL
48029,CCCC1(O)CC2CC1(C(N)=O)C2,0,GDB ChEMBL
45907,C#CC1C(C)Oc2cccc(Br)c2C1C,0,GDB ChEMBL
28382,COC1C2CC2CN2C(C(N)=O)C12,0,GDB ChEMBL
385593,CC[NH2+]C1(C)C2CCC21,0,GDB ChEMBL
54778,CC1CC(O)CC2C[NH2+]CC(C)(C)CC12,0,GDB ChEMBL
108697,N#CCNCCc1c[nH]cn1,1,GDB ChEMBL
273996,N=C(N)N1C(=O)NC2CC([NH3+])C(O)C1C2O,0,GDB ChEMBL
1940,COCCC(C)C[NH+]1CCC1,0,GDB ChEMBL
99797,CNC1C(=O)OC(C#N)CC1[NH3+],1,GDB ChEMBL
77381,CC1C(OCC[NH3+])C(O)(C(=O)[O-])C2C[NH+]1C2,0,GDB ChEMBL
386425,CC#CC[NH+](CC)C1(CCO)CC1,0,GDB ChEMBL
204798,C#Cc1c(C)cc(Br)cc1CO,1,GDB ChEMBL
93095,C[NH2+]C(C(C)=O)C1C(=O)N(C=O)C(=O)C1(C)O,0,GDB ChEMBL
148765,CNc1nc(N)nn1CCO,1,GDB ChEMBL
10987,N=C1OC(CO)CC(=O)C2CNC1CC2O,0,GDB ChEMBL
837,CNC(=[NH2+])C1CC(O)C(C2CC=CC2)N1C,0,GDB ChEMBL
122899,CCCCC1(C(C)CO)CC2CC1C2,0,GDB ChEMBL
123002,CS(=O)(=O)NC1C(=O)[N-]C1(C#N)CN,0,GDB ChEMBL
119284,N=C(CCO)NC(=O)Oc1cc(N)n[nH]c1=O,1,GDB ChEMBL
352633,CCC1C[NH2+]CC(CC)C2OC2C1C,0,GDB ChEMBL
353996,CCCCC1CC(CO)CC(N)C(=O)OC1=N,0,GDB ChEMBL
40238,CN(C(=N)C(O)COCC[NH3+])C(N)=O,0,GDB ChEMBL
114792,CCc1ncc(C(=O)CC2(C#N)CC2)n1C,1,GDB ChEMBL
347010,O=CC=C1CC(O)CN1C1COC1,0,GDB ChEMBL
318381,Cn1c(N)nc2c1OCC(CO)OCCN2,1,GDB ChEMBL
286332,CN(C=O)CCC#N,1,GDB ChEMBL
188125,CCC1CCOc2cncc(Br)c2C1(C)OC,1,GDB ChEMBL
184887,CC1(O)CC([NH3+])C2CCCC([NH3+])C21,0,GDB ChEMBL
233477,O=C([O-])C1C(O)C1S(=O)(=O)CCO,0,GDB ChEMBL
85031,Fc1ccc(C#CCCC2CC2)c(F)c1,1,GDB ChEMBL
383796,CNS(=O)(=O)C1C2NC(CC2[NH3+])C1OC,0,GDB ChEMBL
214712,CC(CC[NH3+])C(N)C(N)=[NH2+],0,GDB ChEMBL
390539,CC(C)C[NH2+]CC(N)CNC=O,0,GDB ChEMBL
259123,CC1=CCC2C[NH+]3CC(C1)(C2)C3,0,GDB ChEMBL
124817,CCC(C)C1C(C)C1(C[NH2+]C)CC(C)C,0,GDB ChEMBL
383675,CC12CCOC1C=C1C[NH2+]CCC12,0,GDB ChEMBL
56052,CNC1CC[NH2+]C1C(N)=O,1,GDB ChEMBL
89687,C[NH2+]C1C(O)C(=O)NC1C(=O)[O-],0,GDB ChEMBL
155139,COC(=O)C(N)CC1([NH3+])C(N)C1O,0,GDB ChEMBL
197229,COC1C([NH3+])C1(NS(C)(=O)=O)C(O)CO,0,GDB ChEMBL
77553,CCCC1=CCC2CC(C)CC(C1)C2,0,GDB ChEMBL
115275,CC1CC(CC#N)(C(C)C)C[NH+]1C1(C)CC1,0,GDB ChEMBL
359170,NC(=O)N(C(N)=O)C12CNC(=O)C1C2O,0,GDB ChEMBL
93455,CC([NH3+])C1C(C([NH3+])C(=O)[O-])C(=O)N(C)C1C,0,GDB ChEMBL
203783,CNC(C)(C#N)C(C([NH3+])CC[NH3+])N1CCC1,0,GDB ChEMBL
255540,CCCCC1(CC)CC1C(C)C,1,GDB ChEMBL
353964,C#CCCC(OC)C1CC(O)C(C)(C)NC1=O,1,GDB ChEMBL
306286,CC1=CCC2(CO)CC(CC2=O)C1,0,GDB ChEMBL
311628,CCC(O)C=CC(C)(C)CC(C)[NH3+],0,GDB ChEMBL
330729,[NH3+]CC1CC2(C3CCCCC3)CCCCC1C2,0,GDB ChEMBL
148546,CCC1(CC)CC(=O)C(N(C)CC(=O)[O-])=N1,1,GDB ChEMBL
288448,CC(=O)OC1OC(C)C2CC1OC(=O)N2,0,GDB ChEMBL
300717,CN=CN(C(=O)C(C)N)S(C)(=O)=O,1,GDB ChEMBL
375552,CC1CC23CCCCC2CC([NH3+])C3[NH2+]1,0,GDB ChEMBL
362852,O=C(CC(O)CO)NC(=O)C(=O)[O-],1,GDB ChEMBL
294461,CC[NH2+]CCCC1COCC(C=O)OC(=O)C1,0,GDB ChEMBL
204323,NC(=O)OCC([NH3+])CC1CC2CNC(=O)C2[NH2+]1,0,GDB ChEMBL
283438,Cn1c(N)c(N)c(CO)c1C(N)=O,0,GDB ChEMBL
228460,C#Cc1nc(N)nc2c1ccn2C1CCC1,1,GDB ChEMBL
65918,[NH3+]C1CC2C(CC([NH3+])C2O)NC1=O,0,GDB ChEMBL
95925,CC(C)(C[NH3+])CC12CCCC1[NH+]=C(N)N2,0,GDB ChEMBL
23917,N=C(NC=O)C(OC(N)=O)C(O)CO,1,GDB ChEMBL
134778,CC1C=CCCCC=C2CCC1CC2,1,GDB ChEMBL
140825,CCOC1CCC(C(C)(CC)CC)C(C)(C)C1,0,GDB ChEMBL
200742,Oc1cc2nc[nH]c2cn1,1,GDB ChEMBL
360815,N#CCC(N)C1NC(=O)NCC1O,0,GDB ChEMBL
31038,CC1=CCC=CC[NH+](C(C)C)CC#CC=C1,0,GDB ChEMBL
40420,Cc1ncsc(C)c(O)nc(N)c1C(O)C[NH3+],0,GDB ChEMBL
155039,COCC1CC(C)CC2(C)C=CC1CC2,0,GDB ChEMBL
230450,Clc1cccc2c1NC1C=C3CCC=C3C21,0,GDB ChEMBL
330066,CC1C[NH2+]C(C2(C(N)=[NH2+])C=CCC2)C1,0,GDB ChEMBL
74301,CC(=O)NC(C[NH3+])C(O)C#N,0,GDB ChEMBL
216175,CC[NH+]1C2CC(N)C1C(C)(O)CC(C#N)C2C,0,GDB ChEMBL
2346,CC1C(O)C([NH3+])C2CC2C1O,0,GDB ChEMBL
193263,COC1CN(C(=O)CO)C1=O,1,GDB ChEMBL
94620,C[NH+](C)C1C(C(=O)[O-])OCC1N1CCOCC1,0,GDB ChEMBL
388399,CCC#CC(C)C(CC)OCC,1,GDB ChEMBL
151263,NC(=O)C1C2COC(CCCC[NH2+]2)C2CC21,0,GDB ChEMBL
221959,C[NH2+]C1CN(C2CC2C2CCCC2)C1,0,GDB ChEMBL
377814,CCC1(C(C(C)OC)N(C)C)CC(O)C(C)[NH2+]1,0,GDB ChEMBL
362066,CC(C)N1CC(C#N)(C(C)C)CC1=O,0,GDB ChEMBL
130441,CCC1CCC(O)CC(C)=CC1C(C)C,0,GDB ChEMBL
271337,[NH3+]CCOCC1CCNS1(=O)=O,0,GDB ChEMBL
194490,C1=CC2C[NH2+]C2CCCCC1,0,GDB ChEMBL
358195,N#CC1(C=O)CNC(=O)COC(=O)[N-]1,0,GDB ChEMBL
340505,CC#CCCCCCC(=O)N1CCC1,1,GDB ChEMBL
247551,Cc1ccc2cc(N)cc(F)c2c1C#N,1,GDB ChEMBL
377304,COC(C)(COC(C[NH3+])C[NH3+])COC(C)(C)C,0,GDB ChEMBL
198783,CCC1C[NH2+]CC1CC12CCC(CC1)CC2,0,GDB ChEMBL
132331,CCC[NH+]1CC(CC)C2C1C2(C)CC,0,GDB ChEMBL
365818,CC(C(O)C[NH3+])C(O)C1OC(=O)NC1C(=O)[O-],0,GDB ChEMBL
121950,NC(=[NH2+])NC1=NCCC2OC(=O)CC12O,0,GDB ChEMBL
221337,COCC12CC[NH+](C)C1(C(C)C)CCC(=O)N2,0,GDB ChEMBL
206973,O=CC1=CC(C(=O)[O-])[NH2+]C1,1,GDB ChEMBL
281989,CCC1CCC=C(C)CC(C)C1CC,0,GDB ChEMBL
189846,Cc1[nH]nc(CC[NH3+])c1C,0,GDB ChEMBL
368433,CS(=O)(=O)c1cc(F)cc(C=O)c1CCO,1,GDB ChEMBL
366044,CCC1CCC2CC3C[NH2+]CC3C1C[NH+]2CC,0,GDB ChEMBL
358588,C#CC1COc2ccnc(c2)NC(=N)C(=N)O1,1,GDB ChEMBL
118719,CCn1ccc(C#N)c(C=O)c1=N,1,GDB ChEMBL
277833,COC1(C(O)C(C)=N[O-])CN=C(N)NC1=O,0,GDB ChEMBL
77365,CC(=O)COC1CCC2CCCCC1(C)CC2,0,GDB ChEMBL
12769,CC(O)C1NC(=O)CC2(C#N)NC12,0,GDB ChEMBL
71277,COCC#Cc1ccc(=[NH2+])cnc1,0,GDB ChEMBL
323349,CNC1(C#N)CC([NH3+])CC1C,0,GDB ChEMBL
151774,CC1(N)CC1[NH2+]CC1CC1,0,GDB ChEMBL
286126,C#CCC(NC(C)=[NH2+])C1CC1,0,GDB ChEMBL
98644,CCC1CC2(C)CCCCC1CC2C1CC1,0,GDB ChEMBL
182466,C#CC1(C)COCC(c2cc(F)cc(F)c2)C1,0,GDB ChEMBL
352831,CC1(CO)CNC(=O)N1C1CC2CCOC2C1,0,GDB ChEMBL
157401,N#Cc1c(C(=O)[O-])ccnc1N=c1occo1,0,GDB ChEMBL
375863,C[NH+]1CC2(CC#N)C3COCC1C32,0,GDB ChEMBL
276107,C#CC1(C#N)CC2(C)CC(CCC2C)N1,0,GDB ChEMBL
163868,CC(C)(C)CCC1CC2CC2C1,1,GDB ChEMBL
76366,CC(C)CC12CCC(C1)C(CO)C(C)C2,0,GDB ChEMBL
116364,CNC(=[NH2+])C1(C)C(N)C[NH2+]CCC(=O)OC1C,0,GDB ChEMBL
185918,CNC1=[NH+]CCCc2sccc21,0,GDB ChEMBL
95199,C#CCC(C)(C)CCc1c(Cl)ccc(Cl)c1Cl,1,GDB ChEMBL
280624,CC1(O)CCCc2cnccc2C2CC21C,0,GDB ChEMBL
117396,CCC12C=CC(=O)NCC1C1OC1(C)C2,0,GDB ChEMBL
180845,CC#CC1CC2(OC)C[NH2+]CC(C2)C1O,0,GDB ChEMBL
148891,CC12CC([NH3+])C(NCC3OC3C1)C(=O)N2,0,GDB ChEMBL
54781,C[NH2+]C1C(O)C2CC2C(=O)CC1(C)C,0,GDB ChEMBL
105121,CC(=O)OC(C)C(CC1(C)CC1)[NH+](C)C,0,GDB ChEMBL
185293,O=CCC1C=CCC1CCCCO,0,GDB ChEMBL
277637,CC[NH+]1CCC2C(OC(N)=[NH+]C)C2(N)C1,0,GDB ChEMBL
27761,CC1C(C(N)=O)N1C1(C#N)CCNC1=O,0,GDB ChEMBL
109525,C[NH+]1CCC([NH3+])C(NCC2CO2)C(C)(O)C1,0,GDB ChEMBL
175684,C#CC(CC(N)C#N)(C(C)OC)[NH+](C)C,0,GDB ChEMBL
72422,CNC1=[NH+]C(C(=O)[O-])C(O)C1,1,GDB ChEMBL
294221,CCC(C)C1C(C)COCCC1(C)CC(C)C,0,GDB ChEMBL
182142,CCN1CC23C(O)C=CCC2CC3C1C#N,0,GDB ChEMBL
259321,N#CC1CC2C([NH+]=C(N)N)CCCN2C(=O)N1,0,GDB ChEMBL
255490,CCOCC(C#N)(C(N)=O)c1cccc(O)c1,0,GDB ChEMBL
193785,CCNc1nc(C2(O)CC(CO)C2)n(C)n1,1,GDB ChEMBL
12782,CCCC(C)CC1C2C=CC1(C)C(C)=C2,0,GDB ChEMBL
186637,CCC1(CC)C(C)CC=CC1CC(C)C,0,GDB ChEMBL
246401,Cn1c(C=O)c(N)ccc1=O,1,GDB ChEMBL
294184,CC(O)C(C(N)=[NH2+])C(O)(C(=O)[O-])C(N)C[NH3+],0,GDB ChEMBL
75421,COCCC1COS(=O)(=O)NC1CC(C)C,1,GDB ChEMBL
203529,NC(C(=O)[O-])C1(N)C[NH2+]C1,0,GDB ChEMBL
99660,CC1[NH+]=C(N)C2C(CCCCO)CC(=O)CC12,0,GDB ChEMBL
55549,CC(C)CNC1C(C#N)C[NH2+]C1(C)CCO,0,GDB ChEMBL
95614,CN1CC(O)CC(=O)OCC(N)(CC[NH3+])C1=O,0,GDB ChEMBL
300126,C#CC12CC(OC)CC([NH3+])C(O1)C(C)C2,0,GDB ChEMBL
288619,CC1(O)CC2CC1CC1CC(=O)OCC2CO1,0,GDB ChEMBL
186742,CCC=C1CCC(O)CCC12CC2,0,GDB ChEMBL
278229,[NH3+]C1CC[NH2+]C(C(=O)[O-])C2NC12,0,GDB ChEMBL
203634,CC1=CC=CCC=CCC(C)(C)CC1C,0,GDB ChEMBL
115271,N=CNc1nc(N)ncc1NC(N)=[NH2+],0,GDB ChEMBL
274056,CC1N=C(c2cnn(C)c2)OCOC1=O,1,GDB ChEMBL
391745,CC(=O)C1(C)C2C=CC(C)C1CC2C,0,GDB ChEMBL
276307,NS(=O)(=O)c1ccc(O)nc[nH]c(=O)s1,0,GDB ChEMBL
82139,CCCCCCC12CCC1C2,1,GDB ChEMBL
382085,CC[NH2+]C1CC(C)(O)CN(C)C1C(C)=O,0,GDB ChEMBL
276060,C#CCC1(C(N)CO)NC(N)=[NH+]C1C(=O)[O-],0,GDB ChEMBL
242614,Cc1c(Cl)ccc2c1CCCC1CC21C,1,GDB ChEMBL
148230,CC1CCCCC2CC1Cc1ccc(Cl)cc12,0,GDB ChEMBL
178033,C#CC(=CC1CCC(O)CC1)CC,1,GDB ChEMBL
393958,CC(=O)OC1C2CCC1OC(=O)N2,1,GDB ChEMBL
340444,[NH3+]CCCCC([NH3+])Cn1ccnc1,0,GDB ChEMBL
115403,COC(CC=O)C(C)OC(N)=O,1,GDB ChEMBL
109183,[NH3+]C1C2C=CC1(C(=O)[O-])C2[NH+]1CCC1,0,GDB ChEMBL
252602,CC(=O)[C-]1C(=O)CN(S(C)(=O)=O)C1=O,0,GDB ChEMBL
24495,CCNC(=O)[N-]S(=O)(=O)C1C(CO)OC1CO,0,GDB ChEMBL
139818,CCCN1CC(C)C1C#N,1,GDB ChEMBL
157360,CCCCC1CC=CC2(CCC2)C1,1,GDB ChEMBL
159716,CC(C)CCC1C(C)CC2CCCC1C2C#N,0,GDB ChEMBL
324279,CC1CC[NH2+]C2C3CC12C(=O)O3,0,GDB ChEMBL
249447,C[NH2+]CC1CC=C(C)CN1,0,GDB ChEMBL
318393,CC(=O)NC1C(=O)NC2C(C=O)NC(=O)OC12,0,GDB ChEMBL
178025,[NH3+]C(C(=O)[O-])C1NC1Cn1cnnn1,0,GDB ChEMBL
345487,C[NH+](C)C1CCC2(C1)C(O)C2C1CC1,0,GDB ChEMBL
304854,CCn1c(S(N)(=O)=O)cnc(CO)c1=O,0,GDB ChEMBL
195548,CC1NS(=O)(=O)CC1(NCCO)C(N)C#N,0,GDB ChEMBL
372783,CCC[NH+](C)CC(O)c1nc(=O)[nH]c(O)c1N,0,GDB ChEMBL
23472,CCC(C)[NH2+]C(CCO)c1ncncc1NC,0,GDB ChEMBL
249466,CCC1[NH2+]CC(CCO)C2C(C)C12,0,GDB ChEMBL
114988,CN1C(=O)OC2OC(C(C#N)C2O)C1C(N)=O,0,GDB ChEMBL
358153,C#CCN=CNC(=[NH2+])NC(C#N)CO,0,GDB ChEMBL
391449,Cc1ncc(COCCCC=O)cc1I,1,GDB ChEMBL
35491,CCCC1C=CC(C)C(C[NH3+])C1,0,GDB ChEMBL
119623,[NH2+]=C1CS(=O)(=O)C(CO)CC(C(=O)[O-])N1,0,GDB ChEMBL
114380,CC12CNC(=O)C1C(C#N)C2O,0,GDB ChEMBL
50218,COCCC1C(=O)OC(=N)C1(C[NH3+])C(O)CO,0,GDB ChEMBL
55515,CCC(C[NH3+])NCc1n[nH]c(=O)c([O-])cc1=[NH2+],0,GDB ChEMBL
299771,CCOCC1C[NH2+]CC1(C)C(O)CC,0,GDB ChEMBL
340490,CC([NH3+])CC12CC=CC(CCC1)C2,0,GDB ChEMBL
156494,CCC1[NH2+]CC2OCC2C1O,0,GDB ChEMBL
345794,CC1C2COCCC([NH2+]2)C1O,0,GDB ChEMBL
118676,C[NH+]1CCCCCC2(C)CC3CCCC(C3)C12,0,GDB ChEMBL
10562,CCCC1CCC1c1[nH+]ccc2[nH]ccc12,0,GDB ChEMBL
334766,CCCC(C)(C)C(CC)[NH+](C)C1CNC1=O,0,GDB ChEMBL
297227,CC(N=C(N)C(=O)NCC#N)C(O)C[NH3+],0,GDB ChEMBL
34260,COC1CNC(=[NH2+])N2C(C(N)=[NH2+])CC(C)C12,0,GDB ChEMBL
106631,CC1([NH2+]CC(=O)[O-])CNS(=O)(=O)C1CO,0,GDB ChEMBL
304649,C#Cc1c(I)cc(NC(=O)CC)c(C)c1C#C,1,GDB ChEMBL
65573,CC(O)C(C#N)NC(=N)CC#N,1,GDB ChEMBL
143150,Cn1cc2cc(O)c(NC(N)=[NH2+])nc2n1,0,GDB ChEMBL
147982,C#CC(C)(C(O)C(CC)C(C)[NH3+])C(F)(F)F,0,GDB ChEMBL
111941,CC(C)C(C)N1CC1(C)CC(C)[NH+](C)C,0,GDB ChEMBL
349446,C[NH2+]CC1(CC(C)(C)C[NH3+])CC2CCC1C[NH2+]2,0,GDB ChEMBL
97734,[NH3+]C1CN(c2ncncn2)C1,0,GDB ChEMBL
292524,CCc1ncc2ncc(C(N)=[NH+]C)cc2n1,0,GDB ChEMBL
83532,CC12CC[NH2+]C(CC1O)C2N,0,GDB ChEMBL
184133,OC1C[NH2+]C(CC2CO2)C1,0,GDB ChEMBL
217054,O=C1CC(O)C([NH2+]CC(O)CO)CN1,0,GDB ChEMBL
174236,CC1CC(C)C2COCC[NH2+]CC1C2[NH+](C)C,0,GDB ChEMBL
255492,CC1(O)CN2CC2CC1CC(=O)[O-],0,GDB ChEMBL
53318,CC1CC(C)CC2CC(C1)C(C)CCCC2C,0,GDB ChEMBL
184115,CC1OC2CC=CC(C1=O)C2O,0,GDB ChEMBL
193798,CC1CC(OCC(N)C#N)CC(CO)C1C[NH3+],0,GDB ChEMBL
221384,NC(=O)CNC(=O)N1C(C[NH3+])C1CO,0,GDB ChEMBL
387093,NC(=O)C(N)C(O)c1sc(N)nc1N,0,GDB ChEMBL
247554,[NH2+]=c1nc(NCC(=O)[O-])cn[nH]1,0,GDB ChEMBL
48128,C#CC1([NH3+])CC1(C)c1cc(OC)ncn1,0,GDB ChEMBL
306268,CCCNC(CO)(C(N)=[NH2+])C(C)N,0,GDB ChEMBL
385655,CCC1CC2CC(C1)c1c2ccc(C)c1Cl,1,GDB ChEMBL
216458,CNC(=O)C1C(=O)CC(=[NH2+])NC1C(=O)[O-],0,GDB ChEMBL
392303,CN=C(OC=O)C(C)N(C)CCC(F)(F)F,1,GDB ChEMBL
334687,CC#CC1(CCN(C)C(C)=O)CC1,1,GDB ChEMBL
23622,CCC[NH+]1CCC2=C(C)C1CCCOC2C,0,GDB ChEMBL
48520,CCC[NH+](C)C1CCC1(C)C,0,GDB ChEMBL
283948,CCCCC1(C)C(CC(C)(C)[NH3+])CCC1(C)C,0,GDB ChEMBL
66607,CCC([NH2+]C1C(C)CCCCC1C)C1CC1,0,GDB ChEMBL
48766,CC1NC(=N)NC(=O)C1(O)C(C[NH3+])C(O)C#N,0,GDB ChEMBL
266236,CN1CC(OC(N)=O)C(C=O)(C=O)C1,0,GDB ChEMBL
165623,C#CC1CCC2(Cc3cc(C)c(Cl)cc3C2)C1,0,GDB ChEMBL
99466,Cc1cccc2cc3c(cc12)CCOC3(C)C,1,GDB ChEMBL
33114,NS(=O)(=O)CC1C(CO)[NH2+]C1CO,0,GDB ChEMBL
307457,CNC(=O)Cc1ccc(=[NH2+])[nH]c1N,0,GDB ChEMBL
307972,COCC(C(=O)[O-])C([NH3+])c1ccc(C(=O)[O-])o1,0,GDB ChEMBL
153687,CCCC(C)C1NC(=[NH2+])C(C)=CNCC1O,0,GDB ChEMBL
179115,NC(=O)C(O)C([NH3+])CC1NC(=[NH2+])CC(O)C1O,0,GDB ChEMBL
75441,CC1=CC[NH2+]C2CCc3c(N)cccc3C12,0,GDB ChEMBL
27803,CC(CC#N)N(C)C(=O)CN=C(N)CO,1,GDB ChEMBL
29473,CCC12CCC(CC(C)(C)C1)C(C)C2,0,GDB ChEMBL
260534,CC1(C2CCC3CC=CC2C3)CCCCC1,0,GDB ChEMBL
209884,COC(=O)CNC(N)=[NH+]Cc1nonc1CN,0,GDB ChEMBL
255149,COCC(C#N)(C#N)N(C)C(=O)CC[NH3+],1,GDB ChEMBL
252100,C#CCC(C#C)c1cc(CC(C)C)ccc1F,1,GDB ChEMBL
131644,CCC([NH3+])c1cccc2c1C1C3CCN2C31,0,GDB ChEMBL
31303,NS(=O)(=O)CC1CC(O)C2CC2[NH2+]C1CO,0,GDB ChEMBL
395184,O=C1NCC23C4OCCCC4CC2N13,0,GDB ChEMBL
338332,CCC1(CO)CCC(C(C(C)C=O)[NH+](C)C)C1,0,GDB ChEMBL
190363,NC(=[NH2+])NCC(=O)CN=C1COC(=O)N1,0,GDB ChEMBL
3779,CC(=O)C1NC(=O)OCC2CC(C)C[NH2+]CC21,0,GDB ChEMBL
34267,CC1CC(C)(C)N(C)C(=O)N1C(N)=O,1,GDB ChEMBL
337994,CC1C2NC=[NH+]CC(C(O)C2O)N1CC(N)=O,0,GDB ChEMBL
340543,C=CCC1CC2C3CC(CC)C2C13,0,GDB ChEMBL
394277,C#CCCc1c(Cl)cc(S(N)(=O)=O)sc1=O,0,GDB ChEMBL
146937,CCC1CC2CC1CCC=CC2C,0,GDB ChEMBL
97087,CCC1C(CCNC(N)=O)C1S(=O)(=O)[O-],0,GDB ChEMBL
385469,CCOc1c[nH]cc1CO,1,GDB ChEMBL
129592,CCC1CCC(O)C1C[NH2+]C,0,GDB ChEMBL
156025,C#CCC1CCC(C)COc2ccc(cc2)C1,0,GDB ChEMBL
191662,COCCC1C2CC3C(C(C)O)C3C12,0,GDB ChEMBL
148523,NC1=[NH+]C2CC(O)C([NH3+])C(O1)C2C[NH3+],0,GDB ChEMBL
57272,NC(=O)CN1Cc2ncsc2C1,1,GDB ChEMBL
8715,CCCC1C([NH2+]C)C12CCC(O)C2,0,GDB ChEMBL
300961,Cc1scnc1C#CCCOCCO,1,GDB ChEMBL
321391,C[NH2+]CCC1Cc2c(coc2C)C(=O)CN1,0,GDB ChEMBL
225459,CC1(O)CCNC(C#N)C2NCCCC(O)C21,0,GDB ChEMBL
391732,CC1CN1C1C(=O)NC1C(=O)[O-],0,GDB ChEMBL
287055,C#Cc1c(I)cc(C)cc1C(C)(C)[NH2+]CCC,0,GDB ChEMBL
120019,N#CC1C2OC(=O)CCC([NH3+])C12N,0,GDB ChEMBL
338266,CC1CC23OC2C1NC(=O)C3[NH3+],0,GDB ChEMBL
388284,CN(CC#N)C1C(=O)C(O)C1S(C)(=O)=O,0,GDB ChEMBL
184924,CC1CCC(C)Cc2c(Cl)ncc(c2Cl)NC1,0,GDB ChEMBL
376671,N#CC(O)C(N)C(=O)[N-]C1(CO)C[NH2+]C1,0,GDB ChEMBL
225347,CC1C(C([NH3+])C(N)=O)C(=O)[N-]S1(=O)=O,0,GDB ChEMBL
17508,C#CCCC1CC2(C)CCC([NH2+]CC)CC2[NH2+]1,0,GDB ChEMBL
244482,C#CCC(C(C)NS(C)(=O)=O)C1(C[NH3+])CC1,0,GDB ChEMBL
55523,CC#CCc1ccc(I)cc1C,1,GDB ChEMBL
155072,CNC1(C(N)=O)C2C([NH3+])C(OC)CC21N,0,GDB ChEMBL
159707,CC(O)C([NH3+])C(=O)NC1C(C)CC1[NH3+],0,GDB ChEMBL
293807,CCC(CNC(=[NH2+])OC)=NO,1,GDB ChEMBL
1979,CCC1C2CC2CC1C(C)(C)C,1,GDB ChEMBL
109744,CS(=O)(=O)NCC12CC(O)(CO)C(O)C1O2,0,GDB ChEMBL
235209,C=C(CC)CC=CCCCC#CC,1,GDB ChEMBL
338870,CCOC12C=CC[NH+](C(C)CC1)C2C,0,GDB ChEMBL
61663,CC1OCC2NC(C=O)CC(O)(C(=O)[O-])C21,0,GDB ChEMBL
294244,CCCC1CC(C)CCC2(C)CCC2[NH2+]1,0,GDB ChEMBL
372074,C#CC1(C(O)C[NH2+]C)CCCC(C)C(C)(C)O1,0,GDB ChEMBL
180991,Cc1cc(Cl)c(Cl)c(C2CCC3CC2C3)c1,1,GDB ChEMBL
77783,CCOC1CC([NH3+])C12CN1CCC2(O)C1,0,GDB ChEMBL
387081,[NH3+]CCCC(C[NH3+])c1cncs1,0,GDB ChEMBL
235629,Cc1nc(CN2C=NC(C)C(=[NH2+])NCC2)cs1,0,GDB ChEMBL
79350,C=C1CC[NH2+]C2CC3C1OC2C3C,0,GDB ChEMBL
309182,CC1CC2C[NH+](C)C2CC(CCCC[NH3+])O1,0,GDB ChEMBL
168418,CC(O)C1NS(=O)(=O)C(O)C1NCCO,0,GDB ChEMBL
307887,O=C1C=C(C2CCCC2)CCN1,1,GDB ChEMBL
155175,C#CCOC1C(=O)C(C)NCC1(C)C#N,0,GDB ChEMBL
53072,Cc1cc(C)c2c3c1CCC3[NH2+]CC(N)C2O,0,GDB ChEMBL
215312,Cc1cc(NCCC[NH3+])c(F)c(CC[NH3+])n1,0,GDB ChEMBL
382168,CCC(C)C1C(O)C2C(C[NH3+])C([NH3+])CC2[NH+]1C,0,GDB ChEMBL
376704,OCC1CCNc2sccc2N1,1,GDB ChEMBL
19411,N#CCNC1(C(F)(F)F)COC1,1,GDB ChEMBL
13884,CC(C[NH2+]C(CO)CO)C(N)=[NH2+],0,GDB ChEMBL
26858,COCC1(O)C2OC(C)OC(=O)C(N)C21,0,GDB ChEMBL
39766,C[NH2+]C1C(=O)C=CC(O)C1C(=O)[O-],0,GDB ChEMBL
117394,Cc1cc2c(cc1N)C1(CC1)CC(=O)C2,1,GDB ChEMBL
398733,COCC1CC=CS(=O)(=O)N1,1,GDB ChEMBL
228819,CN1CCOC23CC4CC2OC4C13,0,GDB ChEMBL
390507,Cn1c(C(F)(F)F)cnc(C(C)(C)[NH3+])c1=O,0,GDB ChEMBL
182121,CCC1CCC([NH2+]C)C2CC2C1CC,0,GDB ChEMBL
169033,CC1CCC2CC(C)C(C1)[NH+]2C,0,GDB ChEMBL
343224,CCC#CC1CC(CC#N)C[NH2+]1,0,GDB ChEMBL
40251,C[NH2+]CCc1[nH]c(=N)nc(C(C)C)c1O,0,GDB ChEMBL
47364,CCCN1CC2[NH2+]C(C)C2C1C=O,0,GDB ChEMBL
352587,C#CC1(C)OC(CO)CC2(CC)C[NH+](C)C21,0,GDB ChEMBL
127722,[NH3+]C1COC2C(=O)NC(=O)NC12,0,GDB ChEMBL
378258,CC([NH3+])C(O)CCC[NH2+]C1(C)CCOC1,0,GDB ChEMBL
62601,CCC#Cc1ccnc(Br)c1,1,GDB ChEMBL
214380,C#CC1=CC2[NH2+]CCC2C1,0,GDB ChEMBL
21843,CC12CCCC1CC1=CC2CCCC([NH3+])C1,0,GDB ChEMBL
194436,CCC1CC=C(C(C)C)CCC1,1,GDB ChEMBL
336592,CC1CCN(C(C)C)C(=O)O1,1,GDB ChEMBL
173150,CCCc1cccc(=[NH2+])c(C[NH3+])c1CO,0,GDB ChEMBL
29262,CCC1C(C)OCC1(C)C=O,0,GDB ChEMBL
365750,CCC(C)CC(CC)C(C)[NH3+],0,GDB ChEMBL
177146,CC(C)(O)c1cccc(Br)c1,1,GDB ChEMBL
201011,CC1Cc2ccc(CCC#N)c(Cl)c2N1,1,GDB ChEMBL
80278,CC[NH2+]C1CC2CC1CC2=C(C)C,0,GDB ChEMBL
379390,CC1CC2C3CCC1C2C[NH2+]3,0,GDB ChEMBL
2975,CC1CC2CC(=O)C1[NH2+]C(C)C(C)O2,0,GDB ChEMBL
40459,CC(O)CCCC(=O)c1cncc(O)c1,1,GDB ChEMBL
131614,CCC1CC[NH+]2CC3C=CC2C31,0,GDB ChEMBL
317193,CCC1OC(COC)C(O)C1C=O,1,GDB ChEMBL
9992,CC1CCC(CC#N)(CC(C[NH3+])C(C)(C)C)C1,0,GDB ChEMBL
337375,C#CC(c1c(C)ccc(C)c1Cl)C(C)CCC,0,GDB ChEMBL
279299,CCC1(C)CC2CC2c2ccc(Cl)cc21,0,GDB ChEMBL
152536,C#CCC1C2CC(CC)CC(C2C)[NH+](C)C1C,0,GDB ChEMBL
40938,CC1CC23CCC[NH2+]C(C2)C1C3,0,GDB ChEMBL
161975,CC[NH2+]CCC#CCO,0,GDB ChEMBL
356877,CCC(O)CCC1COCC(C)C1(C)O,1,GDB ChEMBL
51861,C#CCC1C(CCC)=CCCC1(C)C,0,GDB ChEMBL
31060,CCC1CCC(C)C2(C=O)C[NH+]1CCC2C,0,GDB ChEMBL
342644,CN(CCO)C1C2CC1(C)[NH+]=C2N,0,GDB ChEMBL
121097,Cc1cncn1C1CCC2(C)C(=O)CC(C)C12,0,GDB ChEMBL
277422,CCC(C)(C#N)CCC#CCO,1,GDB ChEMBL
117409,NC(=O)C1NC2C(CO)[NH2+]C1C2C(O)CO,0,GDB ChEMBL
334777,Cc1cc(Cl)c(C23CC(C[NH2+]2)C3)cn1,0,GDB ChEMBL
238147,C1CCC2CC2[NH+]2CCC(C1)C2,0,GDB ChEMBL
354732,CC1CCCC23COCCC2C13,0,GDB ChEMBL
235581,C#CC1(C[NH2+]C)OCCC[NH+](CC)CCC1N,0,GDB ChEMBL
39707,CC1CC2OC(=O)CC(C)N(C=[NH2+])CC1C2[NH3+],0,GDB ChEMBL
347911,C#CC1(C#C)c2ccc(C)cc2CC1(C)C,0,GDB ChEMBL
116030,COCC1C[NH2+]CC(C)C1,0,GDB ChEMBL
157505,CC(=O)N1C(C(C)O)C([NH3+])C1C(C)CC#N,0,GDB ChEMBL
209719,Cn1ccc2c(c1=[NH2+])NC(C)(C)C[NH2+]CCC2,0,GDB ChEMBL
225422,COC1C2COC(C2[NH3+])C1C(=O)[O-],0,GDB ChEMBL
107039,[NH3+]C1C2CC(C(=O)N2)C([NH3+])C1O,0,GDB ChEMBL
85802,CC(=O)C1NC1C(COC(N)=O)C(N)=O,0,GDB ChEMBL
189796,C=C1C[NH+](CC)C(C(=O)[O-])C2OC12,1,GDB ChEMBL
25197,CC1CC2CC1C(C1=CCCC1)C(C)C[NH2+]2,0,GDB ChEMBL
6116,CCCC12CC(CC3CC3)CCC1[NH2+]2,0,GDB ChEMBL
302292,CC[NH+](CC)C1C2CC(C)C1(C)C2C#N,0,GDB ChEMBL
318799,CC1CC(C)(C(C)O)C=CC(=O)NC1=O,0,GDB ChEMBL
116062,CC(C)C1(C(C)CO)CNc2cc(Cl)ccc21,1,GDB ChEMBL
103427,C#Cc1cccc(C(C)(C)C)c1CC(F)(F)F,1,GDB ChEMBL
228337,COC1CCC2C([NH3+])CC(C)C12,0,GDB ChEMBL
70342,C#CC1CC(C)C2C(CC)CCCC12,0,GDB ChEMBL
99589,COC(=O)C1C(C[NH3+])NC2C(O)C21O,0,GDB ChEMBL
101924,CCC12CCCC1C(C)(CC)C(C)C2,0,GDB ChEMBL
273636,CCC1C(C#N)=C(C(C)O)C(=O)N1C,0,GDB ChEMBL
252297,COC1CCC=CC=C1C#N,1,GDB ChEMBL
254997,C=CCNC(=O)NCC1[NH2+]CC1O,0,GDB ChEMBL
150136,CCC(C)C1=CC(C)CCCCC(C)C1,0,GDB ChEMBL
236547,CNC(=O)N1CC(O)C2OC(C1=O)C2O,0,GDB ChEMBL
307900,COCCCC(=O)C#CCO,1,GDB ChEMBL
232124,CC(C)C(=O)CCN1CC1C1CC1,1,GDB ChEMBL
398980,CNC(=O)NC1(COC)C(C)C1S(C)(=O)=O,0,GDB ChEMBL
169462,CS(=O)(=O)NC1=CC(C[NH3+])(C(=O)[O-])OC1,0,GDB ChEMBL
89690,CCC1OCC(C)C1C(C)C,1,GDB ChEMBL
375462,CC1CC=CCCCCC(C)(C)CC1C,1,GDB ChEMBL
385661,CC(=O)N(C)C(=O)n1ncnn1,0,GDB ChEMBL
239398,CCC(N)C1C(O)CC2(C)C(C)CC(C)C[NH+]12,0,GDB ChEMBL
346505,CC1OC2C(O)C[NH2+]C2C(=O)NC(CO)C1[NH3+],0,GDB ChEMBL
204318,C[NH2+]C1C(C)C2C=CC(C)C1CC2(C)C,0,GDB ChEMBL
341871,CC1(O)CC1(N)CNC(N)=[NH2+],0,GDB ChEMBL
200752,OCCC1(CO)CCC1,1,GDB ChEMBL
173907,CC1CC(O)(C(CO)C(=O)[O-])C(=O)N1,0,GDB ChEMBL
38709,C#CCC1CCC(CO)CC1C(C)C(C)CC,0,GDB ChEMBL
16745,CC1CC(=O)C(CS(=O)(=O)N(C)C)O1,1,GDB ChEMBL
377002,CC1C(CO)CC2C(C[NH3+])C=CC12,0,GDB ChEMBL
215891,CCc1c2c3n(c1C)CCCC3C(OC)C2,0,GDB ChEMBL
124841,O=C([O-])CC(=O)Nc1nccnc1F,1,GDB ChEMBL
29760,CCCCC(C)[NH+](C)C1C(C)C1CC,0,GDB ChEMBL
20716,O=CNCC1[NH2+]C(C(=O)[O-])C2C(O)C12,0,GDB ChEMBL
1052,CC(C)C1(CC2(C)CCC2)CCC(O)CC1,1,GDB ChEMBL
146941,C#CCC(C(CO)OCC)C1CCC(=O)CO1,0,GDB ChEMBL
59567,Cc1cc(F)cc(CCC(C)(C)C)c1C(C)C,1,GDB ChEMBL
370272,Nc1nc(C2CCN(CC[NH3+])CC(=O)N2)ns1,0,GDB ChEMBL
354133,CCCNC(=O)OC(C)CC,1,GDB ChEMBL
74306,COCC1(O)C(CS(N)(=O)=O)CN2CC21,0,GDB ChEMBL
312251,C#Cc1c(C)cc(C(F)(F)F)c(N)c1CO,1,GDB ChEMBL
348814,NC(=O)NC(=O)C(O)C1C(O)C1C(=O)[O-],0,GDB ChEMBL
65615,CC1CC23CCCC(C2)[NH2+]C1(C)C3,0,GDB ChEMBL
70062,CC(=O)C1NCC(O)C(O)C(O)C1NC(N)=[NH2+],0,GDB ChEMBL
20539,CC#CCC1C(C[NH3+])C1[NH2+]C,0,GDB ChEMBL
228912,CCCC(C)(CC)C1C(C)CCC1C,0,GDB ChEMBL
294774,CCC1CCCC(C)C(C)(C)C(C)(C)C1CC,0,GDB ChEMBL
190474,CCC([NH3+])C1C=CC=CCC=CC=C1,0,GDB ChEMBL
18827,C[NH2+]CC(C)NC1CN2CC2C1O,0,GDB ChEMBL
362616,CCC1CC(C#N)C1,1,GDB ChEMBL
81066,CC1OCC[NH2+]C1c1c([O-])ccc(Br)c1C=O,0,GDB ChEMBL
21688,CCCC1C=C2C=CCC2CCCC(C)C1,0,GDB ChEMBL
331475,O=C([O-])C1COC2C(=O)NCC2O1,0,GDB ChEMBL
87146,C[NH2+]CC(N)C(O)S(=O)(=O)NCCO,0,GDB ChEMBL
247371,C#Cc1cc(C(C#C)[NH+](C)C)c(NC)cc1C,0,GDB ChEMBL
361141,CCC(C)(C)C1C[NH2+]C(C)CC1(C)O,0,GDB ChEMBL
356486,CCC1CC2[NH2+]C1C1CCCC21,0,GDB ChEMBL
117363,COCC(O)(CC12CNC(=O)C1C2)C(N)=[NH2+],0,GDB ChEMBL
44103,CS(=O)(=O)N1C=CC(CC(N)=O)OC1=O,0,GDB ChEMBL
353987,CC(C)C1CC(O)C(N)(C[NH3+])C([NH2+]CCO)C1,0,GDB ChEMBL
337446,CCNC(=O)CCn1cnc(N)n1,1,GDB ChEMBL
132524,FC(F)(F)C12CC1Cc1ccc(Br)cc12,1,GDB ChEMBL
53259,Nc1cc(NC(=O)C[NH3+])[n-]c(=[NH2+])n1,1,GDB ChEMBL
223308,C#CCN(C)C1C2NC(=O)OC21C,0,GDB ChEMBL
338899,[NH3+]CC(NCC(O)CO)C(CO)c1cnn[nH]1,0,GDB ChEMBL
134456,Cc1nc(CCCC(C[NH3+])NC(N)=[NH2+])no1,0,GDB ChEMBL
188513,COCC(C)(NCC[NH3+])C1(O)CCC1,0,GDB ChEMBL
50117,COC(CO)C([NH3+])C(C)C,1,GDB ChEMBL
110234,C[NH2+]CCCCN=C(N)N(CC=O)C(=O)OC,0,GDB ChEMBL
70970,CC1CC2(O)CC=CC1C(O)C2,0,GDB ChEMBL
42598,COc1c(F)cc2c(c1F)C(C)=CCO2,1,GDB ChEMBL
348881,CC(C[NH3+])NC(C#N)(CN)C(O)CNC(N)=[NH2+],0,GDB ChEMBL
119943,CC([NH3+])CC(O)C(C)(CO)c1ccc(N)cn1,0,GDB ChEMBL
316488,C#CCCNC(=[NH2+])c1nc(CC#N)cc(=O)[nH]1,0,GDB ChEMBL
137416,CCC1(CC)CC(=O)CCCCC2CCCC21,0,GDB ChEMBL
215391,C[NH2+]CCN1Cc2ccncc2C2OC2C1,0,GDB ChEMBL
280328,CC1(C)CN(C(C(N)=[NH2+])C(=O)[O-])C(C#N)C1=O,0,GDB ChEMBL
261221,CC1CC(O)C2(C=O)CC2CC[NH2+]1,0,GDB ChEMBL
141813,CS(=O)(=O)CC12NCCCC1OCOC2=O,0,GDB ChEMBL
42265,CCC1CC=CC2C3CC(C[NH+]12)OCC3C,0,GDB ChEMBL
301435,CC1[NH2+]CC(C)(O)CC2C(=O)NCC12O,0,GDB ChEMBL
17035,NS(=O)(=O)CC1NC(=O)C=CC1(C[NH3+])C[NH3+],0,GDB ChEMBL
39930,NC1=[NH+]CC(O)C2NC(=O)C1C(=O)C2CO,0,GDB ChEMBL
225479,CNC1=[NH+]CC(C)(C)CC1C(COC)[NH+](C)C,0,GDB ChEMBL
18699,CCC1(C(C)C)CCC(CO)(C(C)[NH+](C)C)C1,0,GDB ChEMBL
286897,C#CCC(C)(O)CC1CC(=[NH2+])NC1CO,0,GDB ChEMBL
137389,N#CC1CC2COC(=O)CC1C1NC21,0,GDB ChEMBL
376000,CC1(O)COC2C(=O)OC1C2O,0,GDB ChEMBL
341914,CN1CCCC=CC(=O)C1,1,GDB ChEMBL
303912,COC1(C)C(=O)N(C(N)=O)CCCC1(C)C#N,0,GDB ChEMBL
126839,CCOC(COC)c1c(O)cc(N)nc1N,0,GDB ChEMBL
319181,CCCC1CC2CCCCCCCC1(C)CC2,0,GDB ChEMBL
180864,CNC(=[NH2+])NC(=O)NCCOC=O,0,GDB ChEMBL
277691,COCC1C2(C)CC1(C)C2,1,GDB ChEMBL
163881,CC#CC(O)C[NH2+]C(C)C,1,GDB ChEMBL
177287,[NH3+]CC(O)c1cnnn1CC(=O)[O-],0,GDB ChEMBL
2384,C#CCCCC[NH+]=C1CCCC2CCCC2N1,0,GDB ChEMBL
136115,O=C1CCC23CC4C(O)C2C3N14,0,GDB ChEMBL
377932,COCCC1CC1C1CC(C)C1,1,GDB ChEMBL
317299,CC1(C)CCC=CC=C(C=O)C(CO)C1,0,GDB ChEMBL
234371,Cn1nc2c(c(Cl)c1=O)CC(O)C2,1,GDB ChEMBL
371678,CCCC12CCCC1C1(C)CC(=O)N(C)C2C1,0,GDB ChEMBL
83541,O=S1(=O)NCCc2cccc3occ1c23,1,GDB ChEMBL
257434,CCCCCC1=CC2CCCC2(C)C1,1,GDB ChEMBL
194532,C[NH2+]CC12CC(C)N3CCC1(CO)C32,0,GDB ChEMBL
398915,C#CC1NC(=O)N(C)CC1(CC(C)C)C(C)O,0,GDB ChEMBL
340117,COCC(=O)NC1C([NH3+])C1(C)O,0,GDB ChEMBL
217398,CC(C)(O)CCn1cncn1,1,GDB ChEMBL
246376,CC[NH2+]C1CC(=O)S(=O)(=O)[N-]C1=O,0,GDB ChEMBL
278192,CCCC(O)CC1C2CC(C)CCC21C,0,GDB ChEMBL
46920,Cc1ccc(CC=O)cc1F,1,GDB ChEMBL
215724,C[NH2+]C1C(CO)(OC)C2C(=O)NC(C)C12O,0,GDB ChEMBL
207953,CC(=O)c1occc(=O)c1OCC(F)(F)F,1,GDB ChEMBL
24264,CC(C)[NH2+]CC1(C#N)CN(C)C1,0,GDB ChEMBL
259441,C[NH2+]C(C(O)C(=O)[O-])C1OC1C(=O)[O-],0,GDB ChEMBL
29212,CC1C=CCCCC(C)CCCC=C1,1,GDB ChEMBL
102154,CCCC1(C(CC)CC)CCCC1C,0,GDB ChEMBL
320800,CC1(C)CC2C[NH2+]C1Cn1cccc1C2,0,GDB ChEMBL
228891,[NH3+]C1C2CCCC1c1ccc(O)cc1OC2,0,GDB ChEMBL
77014,CCC1CCCC2CC(C)C(CC)C(C)(C)C12,0,GDB ChEMBL
37306,CCC(O)C(O)C1NCC1=O,1,GDB ChEMBL
42608,Cc1ncc(C2COC2)c(O)n1,1,GDB ChEMBL
339259,CCc1nc2[nH]ccc2c(Cl)c1NCC#N,1,GDB ChEMBL
39818,C[NH2+]C(C)C1(C)C=CC(C)CC1CO,0,GDB ChEMBL
273638,CC(=O)NC(=N)Nc1c(N)c(O)c[nH]c1=O,1,GDB ChEMBL
33281,CC1C=CC2=CC(CCC[NH3+])C3C2C13,0,GDB ChEMBL
48151,N#CCCOCC1CCC1,1,GDB ChEMBL
33245,NC(=[NH2+])CC[NH2+]C(CCO)CCC(=O)CO,0,GDB ChEMBL
275538,CCC(C)C1C2CC(C(=O)C1CC)C(C)(C)C2,0,GDB ChEMBL
324076,NC(=O)OC1(CCC(=O)[O-])CC1O,0,GDB ChEMBL
101504,N#CC1CCN(C2(c3ccccc3)CC2)C1,1,GDB ChEMBL
105973,CC(C)(C)CCC1(CO)CC(O)CO1,1,GDB ChEMBL
398148,CCc1c(N)n[nH]c1CC[NH2+]CC(C)[NH3+],0,GDB ChEMBL
38724,CC1CC2C3NC(=O)NCC([NH3+])C1C23,0,GDB ChEMBL
354061,CC(C)CC1CC[NH2+]CC2CC12CO,0,GDB ChEMBL
300160,[NH3+]C1C(=O)NC2C3CC1CC32,0,GDB ChEMBL
182919,CCC12CCCCCCC(CO1)CC21CC1,0,GDB ChEMBL
362036,C[NH2+]CCC(C#N)C1[NH2+]CC=C1C,0,GDB ChEMBL
193221,COCC1(N)C(N)C1(C#N)CC(C)OC,0,GDB ChEMBL
204841,CNc1nn(C(CO)CCCC(N)=O)c(=O)o1,0,GDB ChEMBL
269368,CN1CC2[NH2+]C3C1C2CC3(C)C,0,GDB ChEMBL
299716,NC(=O)c1cc(=O)[nH][c-](CC(=O)[O-])c1=O,0,GDB ChEMBL
121989,CC1C(C)C1C1CC2CCC1[NH+](C)C(C)C2,0,GDB ChEMBL
99652,C#CC1CCC(C)Cc2cc(Br)ccc21,0,GDB ChEMBL
143138,CC(CC1OCCOC1=N)[NH2+]CCO,0,GDB ChEMBL
98546,CNC(=O)C1(C(C)=O)CNS(=O)(=O)C1,0,GDB ChEMBL
340510,CC1C(C)C1c1cc(F)cc(F)c1O,1,GDB ChEMBL
300121,CC#Cc1cc(Cl)cc(C2C=CCC2)c1,1,GDB ChEMBL
24511,CC(O)C1CCC[NH2+]CC1,0,GDB ChEMBL
206832,COC(=O)N(CCC(N)=[NH2+])C(C)=N,1,GDB ChEMBL
119965,Cn1nccc1NC(=O)CNS(C)(=O)=O,1,GDB ChEMBL
95571,C=C1CCN(CC(=O)CC[NH2+]C)C1,0,GDB ChEMBL
61808,CCC1CCC2(c3cc(C)ccc3F)CC12,1,GDB ChEMBL
214705,CS(=O)(=O)[N-]c1n[nH]c(CO)c1[O-],0,GDB ChEMBL
349986,Cc1nc(C(C#N)CNC(C=O)C(N)=O)n[n-]1,0,GDB ChEMBL
296619,CN1C(=O)C(C)(C)C12CCOC2,0,GDB ChEMBL
159880,N=C1NC(=O)N=C(O)Nc2ccc(nc2)O1,0,GDB ChEMBL
284703,NC(=O)C1OC2CC(O)CC1C2[NH3+],0,GDB ChEMBL
211095,C=CC12CNC(=O)C(CC)CC1N2,0,GDB ChEMBL
245805,CCCN=C1CC(CCC(C=O)[NH2+]CC)CO1,0,GDB ChEMBL
119681,C#CC[NH+]1CCCNC(=O)C1(CC)C(C)CC,0,GDB ChEMBL
67568,[NH2+]=C1NC2C([NH3+])C2C(C([NH3+])CC(=O)[O-])O1,0,GDB ChEMBL
311036,CCc1ncc2n1C(C)C1C3C(C[NH+]1C)C23,0,GDB ChEMBL
204490,NC1C[NH2+]C2C=C(CO)C(O)C12,0,GDB ChEMBL
118164,CCC[NH+](C)C1C2CC=CC1(C)CCC2,0,GDB ChEMBL
311297,COC(C)(C)C(O)C1CN1C(N)=O,0,GDB ChEMBL
398842,CC(CC([NH3+])CC[NH3+])[NH2+]C1CCC(C)(O)CC1,0,GDB ChEMBL
108727,CNC1C(=O)NC(CO)C(O)C2(C#N)NC12,0,GDB ChEMBL
48774,CC([NH3+])CC1NC(=O)NC1=O,1,GDB ChEMBL
336032,CS(=O)(=O)N1C2CNC(=O)C(O)C(O)C21,0,GDB ChEMBL
228439,CNc1cnc(S(=O)(=O)NCC(=O)CO)cn1,1,GDB ChEMBL
188086,C[NH2+]C1CC2(OC)C([NH2+]C)C2C1O,0,GDB ChEMBL
70884,C#CCNc1cc(F)c2ccsc2c1C,1,GDB ChEMBL
292737,CCC1CC(CNS(C)(=O)=O)C(N)=[NH+]1,0,GDB ChEMBL
81606,CC1OCC2[NH2+]CCC13CC3C2O,0,GDB ChEMBL
349985,CCCCCN1CC(=N)OCC1(C#N)COC,1,GDB ChEMBL
325257,CC(=O)N(C)C(C#N)C1(C=O)CC1C#N,0,GDB ChEMBL
341322,COCC1C(C)C2[NH2+]CCC1([NH3+])CC2C(C)O,0,GDB ChEMBL
323162,CN(C)c1c[nH]c2c1C(=O)NC2=O,1,GDB ChEMBL
131661,CCN1CC(C(C)=O)C(=O)NCC1=O,1,GDB ChEMBL
190447,O=S1(=O)CC2CC=CCCCC(CO)N1C2,0,GDB ChEMBL
316105,Cc1cc(O)c(C)c(C2CC([NH3+])CN2)c(=O)n1,0,GDB ChEMBL
389630,COc1ccnc(N)c1I,1,GDB ChEMBL
200945,CC(C)(C)C1CCC1Cc1cccc(Br)c1,1,GDB ChEMBL
104598,CC1=CC2(CC2)Cc2cc(Cl)ccc21,1,GDB ChEMBL
208355,CNC1C2CCC(O)C1C[NH2+]2,0,GDB ChEMBL
115442,COCC1NC1CCO,1,GDB ChEMBL
260679,COC1(C)C=C(C)CCCCCC1C#N,0,GDB ChEMBL
295888,C#CCC1Cc2cc(C)c(F)cc2C1,1,GDB ChEMBL
236728,O=C([O-])CC1C(CO)N1C(=O)C(O)C=N[O-],0,GDB ChEMBL
388287,O=C1OCCCCN1Cc1nnsn1,0,GDB ChEMBL
325877,CC(C(=O)[O-])(C(O)C[NH3+])S(N)(=O)=O,0,GDB ChEMBL
261336,CC1OCC(O)C(C(=O)[O-])N2CC12,0,GDB ChEMBL
209832,CCc1c(C)c2c(c(O)c1C(C)C)CC(C)C2,1,GDB ChEMBL
94744,CCC1(NCC(O)CO)C(=O)NC(=O)NC1=O,1,GDB ChEMBL
275471,CCCc1cc(C[NH3+])oc1C(CC)CNC=O,0,GDB ChEMBL
376033,Cc1ccc2c(c1O)C1CC2C1,1,GDB ChEMBL
180979,N=C1NC(=O)C(Cn2nccn2)N1,1,GDB ChEMBL
29949,CC#CC1C=CC(C(=O)[O-])CO1,0,GDB ChEMBL
176472,CCOC(=O)CC(O)C1(C)OCC1O,1,GDB ChEMBL
40327,CC1C(C[NH3+])OC(=O)C1O,1,GDB ChEMBL
39922,C[NH+]1CC2CC3CCC1CC(C3)C2,0,GDB ChEMBL
358627,COCCC1(C#N)NCCOC1(C)C(O)C#N,0,GDB ChEMBL
338270,CCC(CCC[NH2+]C)C(C)C(C)(C)C,0,GDB ChEMBL
242624,CC1(C(F)(F)F)NCC1O,0,GDB ChEMBL
376630,CC1[NH2+]C2CC(CC(=O)NC(=N)N)OC12,0,GDB ChEMBL
6038,CC12C([NH3+])C(CS(=O)(=O)N1CC(=O)[O-])C2O,0,GDB ChEMBL
163404,CC12C=CCC=CC1=CCC2C(N)=O,0,GDB ChEMBL
137403,C=C(C)Cc1cccc(C2CC2)c1,1,GDB ChEMBL
203217,CC1(C(=O)[O-])CCC2(C)CCC3C(C1)[NH+]32,0,GDB ChEMBL
255969,NC(=O)COCC[NH2+]CC=O,1,GDB ChEMBL
161785,N=C(N)NC(=O)C(=O)NC(N)=O,1,GDB ChEMBL
277121,N=CNC(=O)C(=CCO)CCC[NH3+],0,GDB ChEMBL
315187,CNC1(C(O)C#N)C(C)NC(=O)C1C[NH3+],0,GDB ChEMBL
243780,COCC1NC(C)COC(CO)=NC1C(N)=O,0,GDB ChEMBL
363001,C1CCC2CC3C4CC(CC1)[NH+]2C34,0,GDB ChEMBL
87697,CCOC(CC#N)C(C)(N)C(O)C([NH3+])CO,0,GDB ChEMBL
143792,CC(O)CC(N)(C[NH3+])C1CC(=N)NC1=O,0,GDB ChEMBL
278188,CCCC(C)c1cc(Br)c(COC)c(C#N)n1,1,GDB ChEMBL
70910,Cn1ncnc1CNC12CCN(C1)C2,1,GDB ChEMBL
274903,C#CC(=C)CCCc1ccccc1,1,GDB ChEMBL
396068,CC1COC2C3CCC2(C)C1C3,0,GDB ChEMBL
66691,COCC(=O)NC(=O)N1CCCC1COC=N,1,GDB ChEMBL
61832,O=C1CC2OC(=O)NC2C(=O)N1,1,GDB ChEMBL
284661,CC(C)CN1CCC(O)CC(=O)C(=O)C1,1,GDB ChEMBL
169062,N#CCC1(CO)CNC(N)=N1,0,GDB ChEMBL
55526,Cc1ccc2cc(CC3CC3)oc2c1C=O,1,GDB ChEMBL
151108,CC1C=C(C2(C)CC2)CCCCC1,1,GDB ChEMBL
79298,C#Cc1ccc(=[NH2+])cc(OC)c1,0,GDB ChEMBL
361129,C=C(CC)CC(O)(C[NH2+]C)C1CC1,0,GDB ChEMBL
388234,N#CC1C2C3COC(C(C[NH3+])C(=O)N12)C3O,0,GDB ChEMBL
22579,CCC(C)(C)C1CC=CCCC1(C)C(C)C,0,GDB ChEMBL
70914,CC(CCCO)C(O)C1CO1,1,GDB ChEMBL
141710,CCCC(CC)CC=CC1CC1C,1,GDB ChEMBL
198637,C#Cc1ccc2c(c1)C1(CC1)CC(CC)=C2,0,GDB ChEMBL
286113,NC(=O)CNCC(=O)NCC1CNC(=[NH2+])O1,0,GDB ChEMBL
104348,CNC(=O)OC1CC12CNC(N)=[NH+]2,0,GDB ChEMBL
354329,CCCNc1csc(C(CN)(C[NH3+])C(C)[NH3+])n1,0,GDB ChEMBL
24769,CC=C(C)CCC=CC(CC)CC,1,GDB ChEMBL
26335,CCN(C)CC(=O)NC(=NC)S(=O)(=O)[O-],0,GDB ChEMBL
107844,CC[NH+]=C(N)NC(CC(=O)[O-])=[NH+]C,0,GDB ChEMBL
289243,CC(COc1cn[nH]c1O)NCC[NH2+]CCO,1,GDB ChEMBL
207701,O=C1CCC(=O)C12CCC(O)C2,1,GDB ChEMBL
21837,CCC(=O)C(C#N)(C#N)COS(N)(=O)=O,0,GDB ChEMBL
358487,CC(O)C1[NH+]=C(NCC(N)=O)NC(C)C1C,0,GDB ChEMBL
115172,CCCCC12C=CC(C#N)C1CC(C)C2[NH3+],0,GDB ChEMBL
357639,CC(O)C(C#N)(CN)C1CC(=O)NC(=N)N1,0,GDB ChEMBL
338514,COCC(O)C1NC2C(O)C2(C)OC1=O,0,GDB ChEMBL
61936,COCC(C(=O)[O-])C1(CCO)C([NH3+])C1O,0,GDB ChEMBL
271599,O=Cc1cc([O-])c(F)c2c1C(=O)C1CCC2C1,0,GDB ChEMBL
298244,C#CCNc1cc(C)c(CCCOC)[nH]1,1,GDB ChEMBL
334581,CC1C(N)C(NC(N)=[NH2+])=NC1C(=O)[O-],0,GDB ChEMBL
258245,C#CC(C)(C#C)CCc1c(C)cc(O)cc1Br,0,GDB ChEMBL
61258,C#CCCCc1c(C)cc(O)c(O)c1CCC,1,GDB ChEMBL
373107,COCC1NC2C(CO)[NH2+]C12,0,GDB ChEMBL
120840,Cn1nnc(C(=O)CCO)n1,1,GDB ChEMBL
99624,CCN(C=O)C1COCC(NC=O)CC1O,0,GDB ChEMBL
299599,COC1C(=O)N(C(N)=O)CC1(O)CO,0,GDB ChEMBL
334090,CC(=O)NC(C)C[NH+](C)CCOC=O,0,GDB ChEMBL
369836,CC1C(=O)N(C=O)C1(C#N)C(=O)[O-],0,GDB ChEMBL
247574,C[NH2+]C1CCC(N)(C[NH3+])C(OC(N)=O)CC1O,0,GDB ChEMBL
208370,CCC(C=O)[NH2+]CC1COC(=N)C=CCO1,0,GDB ChEMBL
302652,C#CC1CC2CCC1C(C)C[NH2+]2,0,GDB ChEMBL
127293,CCc1ccc(Br)c2c1C(C)C1CC21,1,GDB ChEMBL
148199,C#CCC(O)CC([NH3+])CCC1CC(OC)C1,0,GDB ChEMBL
177321,CN1C=CCC=CCCCC1=O,0,GDB ChEMBL
204799,CN(Cc1ccnc(F)c1N)C(=[NH2+])CC=O,0,GDB ChEMBL
190013,CC[NH+]1CC=C(CC2CC2)C1CC=O,0,GDB ChEMBL
299583,C#CC1C2C(=O)CCC[NH+](C)CCC2C[NH+]1C,0,GDB ChEMBL
185940,CCC#CC(=O)C(C)[NH2+]CC,1,GDB ChEMBL
259408,CC(O)CN1CCCC(C#N)C1(C[NH3+])C(=O)[O-],0,GDB ChEMBL
378073,C#Cc1cc(F)c2c(c1)C(CC)(CC)CCC2,0,GDB ChEMBL
282019,CN=c1[nH]c(C[NH2+]CC(C)OC)nc(C)c1Cl,0,GDB ChEMBL
84449,C[NH+]1CC2COCC=CC(O)C21,0,GDB ChEMBL
47787,CC(C)C1CC([NH3+])C2(CC2)C1,0,GDB ChEMBL
115224,C#CC(C)C1(C)CCC(CCCC)CC1(C)C,0,GDB ChEMBL
194504,COCCn1nnc2c1NC(=O)C2O,0,GDB ChEMBL
148783,COC(C)(C)CC1CCCC(C)C2(CO2)C1,0,GDB ChEMBL
42597,[NH3+]C(CO)C1NC(=O)C(O)C(O)C1O,0,GDB ChEMBL
22859,OC1CC2CCOCCC2C1,0,GDB ChEMBL
284669,N=C1OC(C(=O)[O-])(C(O)CC(=O)[O-])C1N,0,GDB ChEMBL
328894,CN1CC([NH3+])C(CO)OC(=O)C1=O,0,GDB ChEMBL
215825,CC1CC2CCC3CC1[NH2+]CC23,0,GDB ChEMBL
322877,O=C1CCCC(CC2CC2)CC1,1,GDB ChEMBL
389484,C#CC1(CCCCC)C=CC2CN1C2,0,GDB ChEMBL
330042,CC(=O)c1cccc(OC=O)c1N(C)C,1,GDB ChEMBL
40905,CC1=CCC2CCC[NH2+]C2C(=O)C=C(C)C1,0,GDB ChEMBL
275525,CCNC(C#N)C(C)NC(N)=[NH2+],0,GDB ChEMBL
50285,COC(=O)C1C2CC1(C(C)=NO)CC2O,0,GDB ChEMBL
372721,Cc1cc(Cl)cc(C(C)(C)C2(C[NH3+])CC2)n1,0,GDB ChEMBL
209452,COC1C(=O)CNCCc2c(F)cncc21,1,GDB ChEMBL
379383,CCC(C)C1CN(C)Cc2c(C=O)nc(C)n21,0,GDB ChEMBL
277616,C[NH2+]C1C2C1(CCOC)C(C=O)NS2(=O)=O,0,GDB ChEMBL
295890,CCOC1CC([NH3+])COC(C)=NC1CO,0,GDB ChEMBL
176409,COC1COCC1CNC(=O)N1C(C)C1C,1,GDB ChEMBL
300916,CC(C1[NH2+]CCNCC1C=O)C(C)(C)C,0,GDB ChEMBL
197431,CCCNc1c(Br)cc(CC[NH2+]C)c(Br)c1Br,0,GDB ChEMBL
45708,CCC1C=CC2C(=O)CCC12,1,GDB ChEMBL
54067,CCC1CCC2C1CC([NH2+]C)CCC21CC1,0,GDB ChEMBL
25168,COC1CC([NH3+])C(O)C(COC(=N)NC=O)O1,0,GDB ChEMBL
280846,COc1cc(N)cc(=O)ccc1=O,0,GDB ChEMBL
93447,COC(CNC(C#N)C(C)CO)C(C)C(C)C,1,GDB ChEMBL
294243,CC(CO)CC(C#N)=N[O-],0,GDB ChEMBL
259409,Cn1nccc1COC(N)=[NH2+],0,GDB ChEMBL
113467,CN1CC(C)(C2(N)C(O)C2C(N)=O)OC1=O,0,GDB ChEMBL
80222,C1=CC2CC(C[NH2+]2)OCCCC2CCC1C2,0,GDB ChEMBL
88170,CCOC(=O)CNCC=O,1,GDB ChEMBL
367816,CCC([NH3+])C1CCC1[NH+](C)CC,0,GDB ChEMBL
350649,CC(C)CC1NC2CC1OC2=N,0,GDB ChEMBL
242600,CC1C2OC2(CC(C)(C)CCC#N)C[NH+]1C,0,GDB ChEMBL
350932,COCC(O)C1(C(=O)[O-])C(O)C1([NH3+])CO,0,GDB ChEMBL
29503,CCc1ccc(Cl)c(Cl)c1NC(=O)C1CC1,1,GDB ChEMBL
212565,CNC(=O)C(O)C(O)C(CO)OC(N)=O,1,GDB ChEMBL
230417,C#CC1(CC(C)C)C2C[NH2+]C(CC)CC21,0,GDB ChEMBL
68486,NC1C(C[NH3+])NC(=O)CC([NH3+])C(O)C1(O)CO,0,GDB ChEMBL
380580,C[NH2+]C1CC1CC1CC(C)=CC(C)C1,0,GDB ChEMBL
317951,O=C1OC2(CO)C[NH2+]C3CC(O)CCCN1C32,0,GDB ChEMBL
75066,Cc1oc(CC(N)=O)nc1C#N,1,GDB ChEMBL
254970,C[NH2+]CCC(C(N)=[NH2+])C(=O)C(=O)[O-],0,GDB ChEMBL
214768,CC1CC2N(CC3C4C[NH2+]CC432)C1=O,0,GDB ChEMBL
303321,C#CC(C=O)N1C(=N)CCC1C(=O)OCC,0,GDB ChEMBL
228316,COC1C2c3nc(N)sc3CC12C,1,GDB ChEMBL
227289,NC1=[NH+]CC2c3cn[nH]c3CN12,0,GDB ChEMBL
334158,Cc1c(O)ccn1C,1,GDB ChEMBL
283234,CCC[NH+](C)CCOCCO,0,GDB ChEMBL
132291,CCC(=O)C1(c2ccc(O)cc2Cl)CO1,1,GDB ChEMBL
87073,CC1CCN(C(=N)S(N)(=O)=O)C1CO,0,GDB ChEMBL
12827,CC(C)(C)OC(=N)C(O)Cc1ncc(F)cn1,1,GDB ChEMBL
24488,CCOCCC(=N)OC(=O)CNC=O,1,GDB ChEMBL
337817,CC[NH2+]C1CCCCC2C([NH2+]C)CC3C1C23,0,GDB ChEMBL
271537,C#CC1(C(CC)[NH2+]C2CC2)CC1,0,GDB ChEMBL
214748,CC=CC=CCc1ncc(Cl)cn1,1,GDB ChEMBL
107855,C[NH2+]C(C)(C)C1(C(C)O)CC(CCC[NH3+])C1,0,GDB ChEMBL
191725,C[NH+]1CC2CC([NH3+])C(O2)C2CC21,0,GDB ChEMBL
332719,[NH3+]CC1CCC2C[NH2+]CC1O2,0,GDB ChEMBL
181358,CC1CCC(C[NH3+])CCCCC1C1CC1O,0,GDB ChEMBL
186614,CCC(=O)NC(CC=O)CNC=[NH2+],0,GDB ChEMBL
135413,C[NH2+]C1CCC(C)C(C2C[NH2+]2)C1,0,GDB ChEMBL
181722,CCC(CO)(CO)N=C(NC(N)=[NH2+])C(N)C#N,0,GDB ChEMBL
173849,N#CC1(C=O)CC1CNC(N)=[NH2+],0,GDB ChEMBL
181515,CC1=C2CN(C)CC2(C#N)C(=O)OC1,0,GDB ChEMBL
203496,COCC[NH2+]C(C)C(N)C(N)C(=O)[O-],0,GDB ChEMBL
233938,COC(C)CNC=[NH+]c1ccon1,0,GDB ChEMBL
54803,CCCc1ccccc1C12CCC(C)(CO1)C2,1,GDB ChEMBL
228524,[NH3+]C1CCOC2OCC(CO)C2NC(=O)NC1,0,GDB ChEMBL
165633,C[NH2+]CC(CC([NH3+])C(C)[NH3+])C1(C)OC1C,0,GDB ChEMBL
113571,C#CC1C(C#C)C1C([NH3+])CCC(C)(C)O,0,GDB ChEMBL
104476,C#CC(C)(O)CC(=O)C1=CC(C)COC1=O,1,GDB ChEMBL
76100,CCC(CC(C)(C)C(C)C)[NH+](C)CC,0,GDB ChEMBL
64099,[NH3+]Cc1ncc(Br)c2c1CCOC(=O)CN2,0,GDB ChEMBL
309782,c1ccc2c(c1)C1CCCN2C1,1,GDB ChEMBL
260524,C[NH2+]CC#CC[NH+]=CNCC(=O)[O-],0,GDB ChEMBL
358250,COCCC1COC1,1,GDB ChEMBL
363135,CC1CCCC2C1C(C)OCC2(C)C,0,GDB ChEMBL
338887,C[NH2+]C1C(C[NH3+])C2NC(CO)C1C(=O)NC2=O,0,GDB ChEMBL
134762,CC1C=CC2CC(Cc3ccc(Cl)cc3)C12,1,GDB ChEMBL
361616,CN1C(=N)C(O)C(=O)C(C#N)C(C)(C)C1=O,0,GDB ChEMBL
172367,CCC1CC#CC[NH+]2CCCC=C(CC1)C2,0,GDB ChEMBL
16549,C#CC1CC2CCCC2CC2(C)CCCC[NH+]12,0,GDB ChEMBL
201398,CCN(C)C(=[NH2+])NC1CC(COC(N)=O)C1,0,GDB ChEMBL
97773,N=C1NCC(n2ccnn2)C(=O)N1,0,GDB ChEMBL
340427,CCCOC1CCC(COC2CC2)C(C)O1,1,GDB ChEMBL
174173,C[NH+](C)CCC=CC1N=CNC1=O,0,GDB ChEMBL
188115,CC1CC2(COC2)CC1(C)C,0,GDB ChEMBL
147880,Cn1cc2c(n1)C1CC(C[NH2+]1)C2,0,GDB ChEMBL
363161,CCCC([NH3+])C1(N(C)C)C2CCOC1C(O)C2,0,GDB ChEMBL
26445,CC1CC2CC2C(=O)C1CC#N,1,GDB ChEMBL
115939,CC(=[NH2+])N1CC2CC(CC(=O)[O-])CC21C#N,0,GDB ChEMBL
366907,CCOc1coc(C(N)=O)c1,1,GDB ChEMBL
316137,CC(C)CC(O)C1C2CCC(C)(C2)C1C,1,GDB ChEMBL
181382,[NH3+]C1CCN(C=O)C(C(=O)[O-])CC([NH3+])C1CO,0,GDB ChEMBL
44693,CC([NH3+])COC1CCn2cc(C(C)(C)C)cc21,0,GDB ChEMBL
243372,Oc1ccnc2c1Oc1cccnc1CC2,1,GDB ChEMBL
22528,CC1[NH2+]CC(C)(O)CC2(C=O)CC2NC1=O,0,GDB ChEMBL
209684,CC1=CC[NH2+]C12C(=O)NCC2CC[NH3+],0,GDB ChEMBL
208434,Nc1nc(N)nc(C(O)C(=O)[O-])n1,0,GDB ChEMBL
313333,c1csc(NC2C[NH2+]C2)c1,0,GDB ChEMBL
263191,CN(C)C(C(C)(C)C)C12C=CC(C[NH2+]1)C2,0,GDB ChEMBL
115933,CCCC1CCC2C(C1)CC1C=CC2[NH+]1C,0,GDB ChEMBL
203445,CC([NH2+]CC1C=C(C[NH3+])CC1)C1CC1,0,GDB ChEMBL
130863,C[NH+](C)CCC1CC(O)C(C(C)(C)O)[NH2+]1,0,GDB ChEMBL
337931,CCC#Cc1cc(C)cc(CCO)c1,1,GDB ChEMBL
214926,C#CC1C2CC[NH2+]C2CC1[NH+](C)C,0,GDB ChEMBL
342384,NC(C[NH3+])COCC(O)C(O)C(=O)[O-],0,GDB ChEMBL
358187,CNC1=NC(C[NH3+])C(OC)CCO1,0,GDB ChEMBL
274066,CC#CC([NH2+]C)C1CC(CC)CC1[NH3+],0,GDB ChEMBL
18645,NC(=O)CCC1([NH3+])CCNS(=O)(=O)CC1,0,GDB ChEMBL
292266,CC(C[NH3+])C([NH3+])C(O)CN(C)CS(N)(=O)=O,0,GDB ChEMBL
334464,C[NH2+]C1COC(=O)C2(C)OC12,1,GDB ChEMBL
194495,CC1([NH3+])C2NC(=O)C(N)C1(CO)C2C(=O)[O-],0,GDB ChEMBL
119814,COC(=O)CC1NCCOC1=N,1,GDB ChEMBL
376039,C#CC1CC(C)(CC(C)CCC)C2CN12,0,GDB ChEMBL
265242,C[NH2+]C1C(O)C(CO)C=CCC1C(O)C[NH3+],0,GDB ChEMBL
127644,C#CCC1C2C([NH2+]CC)CC(C)CC(=O)N12,0,GDB ChEMBL
339069,CCC1CC12C=Cc1cc(I)ccc1CC2,0,GDB ChEMBL
378610,Cc1cc2c(ccncs1)NC(C#N)CCC2,0,GDB ChEMBL
113516,CCC(C)C(C)(C)c1cccc(C[NH2+]C)c1C,0,GDB ChEMBL
104370,CCC(=O)NC1=NCC(OCC[NH3+])O1,0,GDB ChEMBL
273989,C#CC1CC(C[NH2+]C)(OC)C1,0,GDB ChEMBL
61893,Brc1ccc2cc1C1=CCC(C1)OCCN2,1,GDB ChEMBL
397033,CC(CC1CCC1)c1cc(N)ncc1Br,1,GDB ChEMBL
207338,CC[NH2+]C(C)C12CC1C=CC2=O,0,GDB ChEMBL
95508,NC(=[NH2+])NC1C(O)C[NH2+]CC(N)C1N,0,GDB ChEMBL
42272,CCCNc1cc(NC)cc(I)n1,1,GDB ChEMBL
311686,C#CC1CCC(CCCO)(C(C)CC)C1OC,0,GDB ChEMBL
73844,CCC1(c2c(C)cc(F)c(C)c2F)CC1,1,GDB ChEMBL
129832,C[NH2+]C1C(C)C1C1CCCC1O,0,GDB ChEMBL
338868,CC(=O)COC(=NCCOC(C)=O)NC(N)=O,0,GDB ChEMBL
245535,C[NH2+]CC1OCC(CC2C[NH2+]2)C1C,0,GDB ChEMBL
323335,CC1COC(C#N)CC(O)C(C[NH3+])N1,0,GDB ChEMBL
230212,CCN(C)S(=O)(=O)c1nccc(O)n1,1,GDB ChEMBL
191393,CCC(O)CCc1c[nH+]ccc1N,0,GDB ChEMBL
372589,CC1c2cc(F)cc(F)c2C2(O)CC12,1,GDB ChEMBL
81739,CCCC1CCCC(C2(C)CC2)C1,1,GDB ChEMBL
325281,OCC1C2CCOCC12,1,GDB ChEMBL
339036,NC(=O)C([NH3+])C1CC23COC1C2O3,0,GDB ChEMBL
119626,CCC(O)C1N=C(N(C)C=O)C(CO)OC1=O,0,GDB ChEMBL
297298,CCC(CC)CCOC1CC(C(C)C)C1,1,GDB ChEMBL
320278,CC1(C(N)=O)C=CC(O)C1OS(N)(=O)=O,0,GDB ChEMBL
59576,COC1CCC(O)CC2(C(N)=O)C(O)C12,0,GDB ChEMBL
265295,NC(=O)N1C(=O)C2C3CCC(O)C1C32,0,GDB ChEMBL
379696,CC=Cc1sc(CCC#N)cc1C,1,GDB ChEMBL
348671,CC1[NH2+]C(C(N)CO)C(N)(C(=O)[O-])C1O,0,GDB ChEMBL
156030,CC([NH3+])C1C(C(N)=O)C1C(O)CS(N)(=O)=O,0,GDB ChEMBL
367652,CC(C([NH3+])CC(O)C(=O)[O-])S(N)(=O)=O,0,GDB ChEMBL
288909,C#Cc1c(C)ccc2[nH]c(O)c(CC(C)C)c12,1,GDB ChEMBL
84856,CCC1([NH+](C)C)C(C)C12CS(=O)(=O)[N-]C2=O,0,GDB ChEMBL
254899,COC1C(=O)OC(C[NH3+])C2C([NH3+])C(=O)NC12,0,GDB ChEMBL
120676,CNc1c(F)cc(N)cc1OC,1,GDB ChEMBL
215294,CCOc1nc(C[NH3+])cc(=O)n(C)c1=O,0,GDB ChEMBL
252713,CC12[NH2+]CC(N=C(N)NC1=O)C2O,0,GDB ChEMBL
87505,O=CC1C2C(C(=O)[O-])N2C2CC[NH+]1C2,0,GDB ChEMBL
6807,N#CC1CNc2cccnc21,1,GDB ChEMBL
208328,C#CCC1CN1CCCO,1,GDB ChEMBL
304045,CC(Cc1ccccc1F)N=c1cncco1,0,GDB ChEMBL
60982,Nc1ccc(O)cc1C1CC1,1,GDB ChEMBL
78660,C[NH2+]C1C2OCC1(O)C2CCOC,0,GDB ChEMBL
208449,NC(=O)C([NH3+])CC12C(O)C1CNS2(=O)=O,0,GDB ChEMBL
347979,CC1OC2C(O)COC2CNC1=O,1,GDB ChEMBL
24042,O=C1NC(=O)N2CC(=NO)C3OC3C12,0,GDB ChEMBL
174682,CCC(CC[NH3+])(CCO)OC(=[NH2+])N1CC1,0,GDB ChEMBL
272548,CCC(C)C(CC)CC(CCC=O)C(F)(F)F,0,GDB ChEMBL
80500,CC12CC(=O)NCCC1C([NH3+])CC(C#N)O2,0,GDB ChEMBL
142900,NC(=O)CS(=O)(=O)NCCC1([NH3+])CC1,0,GDB ChEMBL
45693,N=C(N)N1CC2[NH2+]C(CO)C(O)C2NC1=O,0,GDB ChEMBL
397923,C#CC#Cc1cc(O)c(C)c(NC)c1,1,GDB ChEMBL
393905,COC1C2=C(C)CCCCC1C(C)(C)C2,0,GDB ChEMBL
157500,[NH3+]C(C1CC1)C1(CO)COC1,0,GDB ChEMBL
383825,CC1(O)C(=O)NCC([NH3+])C2C(=O)NC1C2O,0,GDB ChEMBL
317965,CC(NC(=O)C[NH3+])C(=N)OS(N)(=O)=O,1,GDB ChEMBL
275686,C=C(C=O)C[NH+](C)CC(C)C1CC1,0,GDB ChEMBL
72417,CCCC(C(N)=O)C(N)c1nnnn1C,1,GDB ChEMBL
338161,CC1CC2(C)C3OCC[NH2+]C32C1,0,GDB ChEMBL
44602,C[NH2+]CCc1ccc2c(c1)CCC1(C)OC21,0,GDB ChEMBL
127260,[NH3+]Cc1nc[nH]c1CC(F)(F)F,0,GDB ChEMBL
61261,[NH3+]C1CC[NH2+]C2CC[NH2+]CCC1(C(=O)[O-])CC2,0,GDB ChEMBL
134438,CC(O)c1cnc(=O)n2ncnc(N)c12,1,GDB ChEMBL
289821,CC(C#CCCO)(CO)CC1C[NH2+]C1,0,GDB ChEMBL
33867,CC12N=C(N)OC1CC(C(N)=O)N(C=O)C2=O,0,GDB ChEMBL
169364,CCC1C[NH2+]CCCN2CCC[NH+]=C12,0,GDB ChEMBL
183434,CC(O)(CNC=O)CC1CO1,1,GDB ChEMBL
337096,COC(=O)C(C#N)(CC[NH3+])[N-]C(=O)C([NH3+])CO,0,GDB ChEMBL
317703,CCC1CC=C(C)CC2(C)C(C)CCC12,0,GDB ChEMBL
285084,CC([NH3+])CCOCC1CC(CC#N)CO1,0,GDB ChEMBL
206823,CNS(=O)(=O)c1cc(C(N)=O)c([O-])[nH]c1=O,0,GDB ChEMBL
24246,N#Cc1nc(Cl)nc(N)c1O,1,GDB ChEMBL
204379,CS(=O)(=O)NC(C([NH3+])CCO)C1(O)C(O)C1O,0,GDB ChEMBL
383038,COC1C(C2CC(=O)C(=O)C2)[NH2+]CC1(C)OC,0,GDB ChEMBL
337958,COCC1[NH2+]C2C=C(C)CC21,0,GDB ChEMBL
347987,CC1C2C([NH2+]CCO)C2C(C)(O)C[NH+]1C,0,GDB ChEMBL
342609,Cn1nc(CC(=O)[O-])nc1C#N,1,GDB ChEMBL
33866,Cn1cncc1CC(=O)C1(C)COC1,1,GDB ChEMBL
358115,CCOCC1OC1(C)C(CC)OC(N)=O,1,GDB ChEMBL
394357,CCOCC1C(C)NC(=O)N1C,1,GDB ChEMBL
316099,CCc1ccc(O)nc1CC#CC(C)[NH3+],0,GDB ChEMBL
262343,CC1CC(C2CCC2)C2C[NH+]1CC2[NH3+],0,GDB ChEMBL
312225,CN=C1NCC(C(=O)[O-])S(=O)(=O)N1C,0,GDB ChEMBL
189806,Cc1cc2c(cc1Cl)C=C1CC(C)C([NH3+])C12,0,GDB ChEMBL
312563,C[NH+](C)CC12COCCC1C([NH3+])CO2,0,GDB ChEMBL
291521,CNC(=O)NCC([NH3+])CCC(O)C[NH2+]C,0,GDB ChEMBL
254916,CC1CC2CC([NH2+]CC3CC3)C1CCCO2,0,GDB ChEMBL
178040,C#CCCC1CC(CC)C(C)C12CC2,1,GDB ChEMBL
215348,CC1(O)C2CCC([NH3+])CC21,0,GDB ChEMBL
363177,CCCc1c(F)ccc(Oc2cocn2)c1N,1,GDB ChEMBL
81083,CCCCC(COC)c1[nH]cc(NC)c1O,0,GDB ChEMBL
280460,C[NH+]=C(N)C(C)CC(=O)OC,0,GDB ChEMBL
50954,CC1=CC2CC([NH3+])C(C)C(CCC1)C2O,0,GDB ChEMBL
191567,C=Cc1cc([O-])c2nc(N)nn2c1,0,GDB ChEMBL
53312,CC=C1CC([NH3+])CC(OC)C2CC12,0,GDB ChEMBL
375737,CCC1CNC(=O)c2c1cc(Br)c(=O)n2C,0,GDB ChEMBL
377789,C[NH2+]CC(CN)[NH+]=C(N)N1CC(C)(CO)C1,0,GDB ChEMBL
382180,C#CC(C)[NH+]1CCCC2C(C)CCC2(C)C1C,0,GDB ChEMBL
280309,CC(=O)OC1C([NH3+])CC2OCC1C2CO,0,GDB ChEMBL
204337,CC1C=C(COCCO)C2(C=CNC2=O)C1,0,GDB ChEMBL
222870,CC1[NH2+]CCC2CCC3CC31C2,0,GDB ChEMBL
393934,CCCCCC12CC(CC)CC(CC(C)O1)C2,0,GDB ChEMBL
388449,C#CC1[NH2+]CC2CC21c1ccc(F)cc1,0,GDB ChEMBL
115574,CC(O)C1CCCCC2(C1)CC2C,0,GDB ChEMBL
340561,CCn1c(N)c(C(C)=O)c(CCC(C)C)c1O,1,GDB ChEMBL
112489,CC[NH2+]C(CS(=O)(=O)[O-])C(CO)C(N)=[NH2+],0,GDB ChEMBL
44952,CCCC1CCC=C(C(C)C)C1,1,GDB ChEMBL
102151,C=CCN(C)C(=[NH+]C)OCC(C)=O,0,GDB ChEMBL
261455,CC[NH+](CC)C1C2CC1(C)C(C)OC2=O,0,GDB ChEMBL
28970,COC1(CC[NH3+])C[NH2+]CCCC(O)C(C)C1O,0,GDB ChEMBL
355130,O=C(OC1CC1)C1=NC(CO)CCN1,0,GDB ChEMBL
40419,CNc1c(OC)c(O)cc(C)c1C1C[NH2+]C1,0,GDB ChEMBL
390516,O=CN1C2C(CO)CC(C(=O)[O-])C21,0,GDB ChEMBL
181657,COC1CN(C(N)=[NH2+])CCO1,0,GDB ChEMBL
279139,Nc1ccc2c(-c3cccc(Cl)c3)c[nH]c2c1,1,GDB ChEMBL
156537,CCC(C)CC1C=CCCC1CC,1,GDB ChEMBL
382988,CC(O)C1C(O)CCC2COC1C2[NH3+],0,GDB ChEMBL
53328,CC[NH2+]CC([NH3+])CCC(C)CO,0,GDB ChEMBL
176421,CC#Cc1c(C)cc2c(c1F)C1CC1CC2,1,GDB ChEMBL
195298,NC(=[NH2+])c1ccnn2c(N)c(C(N)=O)cc12,0,GDB ChEMBL
276153,CCC1(C)C[NH2+]C2COC1C2,0,GDB ChEMBL
280682,C#CC(C)c1ccc(C(C)(C)C)c(C)c1F,1,GDB ChEMBL
372184,Cc1oc2ncnc-2nc1CC(=O)[O-],0,GDB ChEMBL
188102,COCC(O)C1OC(S(N)(=O)=O)CC1[NH3+],0,GDB ChEMBL
236552,CC12C[NH2+]C3CCCOC1C32c1cscn1,0,GDB ChEMBL
111539,COc1ncc2nc[nH]c(=O)c2c1Cl,1,GDB ChEMBL
330959,CN(C=O)C=NCCC(=O)CNS(C)(=O)=O,1,GDB ChEMBL
238543,C#CC1OC2CNC(=O)CC(C(=O)C2O)C1C,0,GDB ChEMBL
386555,CCCCC12CC(CCC(C(C)CC)C1)C[NH2+]2,0,GDB ChEMBL
244636,N#CCC(C(=O)[O-])C1=CC(O)(C[NH3+])CC1O,0,GDB ChEMBL
162911,CCCN1CC1C1=CCC(C)OC(=O)NC1,0,GDB ChEMBL
64676,O=C1C=CC=CCC=C(CO)CC1,1,GDB ChEMBL
22609,CC([NH3+])C1C=CCC(O)CC1,0,GDB ChEMBL
317545,CNC(CC(N)=O)C(=O)CS(N)(=O)=O,0,GDB ChEMBL
306412,CC1(C(N)CO)CCC[NH2+]1,1,GDB ChEMBL
127048,COC(CO)C1N2CCCC(OC)C12C[NH3+],0,GDB ChEMBL
385620,COC1CC(C)C2CCC(C)OC2C1CO,0,GDB ChEMBL
221116,CC1(C)CCCC(C)(C)C2CC21,0,GDB ChEMBL
115208,NC(=O)c1c(Br)c[nH]c(=O)c1[O-],0,GDB ChEMBL
399010,CCC(C1CC(=O)C[NH2+]1)C(O)C(C)O,0,GDB ChEMBL
71428,N#CC1NC1c1cnc(O)c(C(N)=O)c1O,0,GDB ChEMBL
261423,CC(C)CC(C#N)(C#N)CN,1,GDB ChEMBL
208541,CCC1CC(C#N)C1(C)C(=O)N(C)C,1,GDB ChEMBL
342396,C#CC(CC)OCCOC,1,GDB ChEMBL
252717,COC12CCCC(=O)NCC#CC([NH3+])(C1)C2,0,GDB ChEMBL
247237,C[NH2+]C(C)C(C)OCC#N,0,GDB ChEMBL
40061,CC1NC(=O)C2(O)CNC(C#N)CC(=O)C12,0,GDB ChEMBL
392513,CCC1CC2(C)C(C(CC[NH3+])OC)C[NH+]1C2C,0,GDB ChEMBL
157083,COc1cnc(CO)csc(N)cc1C#N,0,GDB ChEMBL
380301,C#CC1C[NH2+]C(C)(C)CCCC=C(C)C1,0,GDB ChEMBL
208360,CCCC1CCC(=O)OCC(C#N)C1,0,GDB ChEMBL
219497,C=C(C)C1C=CCC=CCC1OC,0,GDB ChEMBL
232052,CNC(=O)C(=O)C(=N)N(C)S(C)(=O)=O,1,GDB ChEMBL
143845,CC(CO)CS(=O)(=O)C(CC(N)=O)C(O)C#N,0,GDB ChEMBL
352648,CC(=[NH2+])N1CCC(C2(C)CC2)C1,0,GDB ChEMBL
24281,C#CCN1CC1CC(CC#N)[NH2+]CC,0,GDB ChEMBL
140875,N#CCC1C2CC([NH2+]Cc3ccsc3)CC12,0,GDB ChEMBL
334102,CCC(=O)c1ncc(S(=O)(=O)NC)s1,1,GDB ChEMBL
66721,CC[NH2+]C(C)C(C)(CO)OC,1,GDB ChEMBL
146960,NC(=O)CC1=CC2[NH2+]CC2C1,0,GDB ChEMBL
266247,CCC(NC(=O)C(C[NH3+])OC=N)C(=O)[O-],0,GDB ChEMBL
187258,C#CCCC1CCCC(CCC(C)(C)CC)C1,1,GDB ChEMBL
125687,CC1(O)CCN=C2OCCNC(C[NH3+])CC21C,0,GDB ChEMBL
215818,O=CC1NC(C(=O)[O-])C2[NH2+]C1C1CC12,0,GDB ChEMBL
149926,N#CC12CNC(C(N)=O)C(C1)NC2C[NH3+],0,GDB ChEMBL
196705,CCCC1(C#N)C(O)C(C)CC([NH3+])C1N(C)C,0,GDB ChEMBL
120893,C#Cc1cccc(OC(C)C#C)c1C(C)C#C,0,GDB ChEMBL
338562,CCC1CC2=CCCCC(=O)C(C1)C2CC,0,GDB ChEMBL
130479,CCCC(C)[NH+](C)C1CC1(C)CCC(C)O,0,GDB ChEMBL
391485,CC1Nc2cc(nc(I)n2)CCCC[NH+]=C1N,0,GDB ChEMBL
177154,CC1OC(S(N)(=O)=O)C1CC(N)=O,0,GDB ChEMBL
106602,CC(C)C([NH3+])C1CCN1C,0,GDB ChEMBL
76824,C[NH+]=C(C)Nc1ccc(I)cc1C,0,GDB ChEMBL
191692,CC=CC1C(CC(N)=O)N1C(N)=O,0,GDB ChEMBL
300487,CN1C(=O)OCC2C=CC1C2=O,0,GDB ChEMBL
106629,CC[NH2+]C1C(O)C2COC1C2C,0,GDB ChEMBL
82147,CCC(OC)C(=O)c1cc(=O)[nH]cc1F,1,GDB ChEMBL
236691,Cn1cc(N)nc1C(O)C(N)=O,1,GDB ChEMBL
87689,CN=C1OC(C)CC1(O)Cn1cnnn1,0,GDB ChEMBL
47188,COc1cc2c(CO)ncn2nc1C,0,GDB ChEMBL
82156,CC(c1cn(C)nn1)C1([NH3+])CC1,0,GDB ChEMBL
81059,CCC[NH2+]CCn1c(N)c([NH+]=CN)ccc1=O,0,GDB ChEMBL
34194,C[NH2+]C12C=C(C)C(CCCC(C)C1)C2,0,GDB ChEMBL
157088,COC1C(C)CC(O)(C(C)O)C1C(C)[NH+](C)C,0,GDB ChEMBL
270063,O=CNC1CCc2cc(F)c(=O)[nH]c2CC1O,0,GDB ChEMBL
310116,[NH3+]CC1C2[NH2+]C(CC2O)C1C(=O)[O-],0,GDB ChEMBL
112758,C#CC1CC2CC[NH2+]C2C1C,0,GDB ChEMBL
206838,CCOCC1(CC)C[NH2+]C1C,0,GDB ChEMBL
29759,C=CC1CC2C[NH2+]C2C(C)C1OC,0,GDB ChEMBL
345473,CC1CC(O)C2(C)NC(=O)C(C[NH3+])C2[NH2+]1,0,GDB ChEMBL
57308,COCC([NH3+])C(C)(N)C(=O)OC(C[NH3+])C[NH3+],0,GDB ChEMBL
151221,C[NH2+]CC(=O)NC=C1C=CCC1O,0,GDB ChEMBL
271510,CC(O)(CC(=O)[O-])C1COC(=[NH2+])N1,0,GDB ChEMBL
61956,CC(=O)N(C)C1C([NH3+])CNS(=O)(=O)C1N,0,GDB ChEMBL
152058,CC1(NC(N)=[NH2+])CC(CO)C1=O,0,GDB ChEMBL
249844,CC1(CO)CCC(O)C2(CC2)C1,0,GDB ChEMBL
177076,NC(=O)C(N)C1CCNS(=O)(=O)O1,0,GDB ChEMBL
61556,CCCNC1C(O)[C-](C(N)=O)S1(=O)=O,0,GDB ChEMBL
387084,CCCC1(C)C=CCC=CCCC1,0,GDB ChEMBL
20146,[NH3+]C1C2c3ncncc3C1N1C(=O)OCC21,0,GDB ChEMBL
85016,C[NH+]=C(N)C1Nc2ncncc2CC1C#N,0,GDB ChEMBL
131865,C[NH2+]CCCC1(C(C)C)CC[NH2+]C1(C)C(N)=O,0,GDB ChEMBL
182072,CCC1(N)C[NH+]=C(C)N(C)CC(CCO)C1O,0,GDB ChEMBL
354822,CC1[NH2+]CCC2([NH3+])CCC(C2)C1(C)O,0,GDB ChEMBL
92848,[NH3+]C(CCC(=O)[O-])CC1(O)CC(O)C1,1,GDB ChEMBL
334396,N#CC(O)CNC(=[NH2+])C(N)C(=O)[O-],0,GDB ChEMBL
383008,CC(C)[NH2+]CCCCC1(C(C)C)CC1,0,GDB ChEMBL
197056,O=c1[nH]c(O)cc2c1Cn1cncc1CCN2,1,GDB ChEMBL
215274,CC[NH+]=C(C)N1CC(C)C2CCCCC1C2C,0,GDB ChEMBL
263510,N=C1NC(=O)C(N)C2C[NH2+]C1C2O,0,GDB ChEMBL
194238,C#Cc1c(N)c(CC(C)=O)c(C)c(F)c1CC,1,GDB ChEMBL
18661,CNC1(C#N)CC(C(C)[NH3+])CC1(O)CC[NH3+],0,GDB ChEMBL
227931,CCN=C(CS(N)(=O)=O)N(CCO)C(N)=O,0,GDB ChEMBL
116038,C#CCC(NC(=O)NC)C([NH3+])C(C)C,0,GDB ChEMBL
252339,OCc1noc(C(F)(F)F)n1,1,GDB ChEMBL
22807,CCC1NC(=[NH2+])OC1C1CC1C(=O)[O-],0,GDB ChEMBL
259658,COCC(O)(CO)C1[NH+]=C(N)COCC1C,0,GDB ChEMBL
24017,C[NH2+]CC1(Cc2ccon2)CCN(C=O)C1C,0,GDB ChEMBL
378299,COC1OC(C)CC(CC[NH3+])NCC1(O)C#N,0,GDB ChEMBL
289288,C[NH2+]C(C(=O)[O-])C(C(N)=[NH2+])C(C=O)C=NO,0,GDB ChEMBL
276122,C#CC1=CCC(OCCCCC)C1,1,GDB ChEMBL
26001,C=CCCCC1(C(=O)[O-])COC1=N,0,GDB ChEMBL
109609,CCCC1CC1CC(CC)C(F)(F)F,1,GDB ChEMBL
345786,[NH2+]=C(CO)NC(CC1CC1)C(O)C(F)(F)F,0,GDB ChEMBL
281684,C[NH+]1CCC(C)(CC2CC2)CC1,0,GDB ChEMBL
355358,CCC1(C)CCC(CC(C)C)C=C1C,1,GDB ChEMBL
136499,COCC(O)C1[N-]S(=O)(=O)C1C(N)=O,0,GDB ChEMBL
81008,CCC1CCC(C)(C(C)[NH3+])C(C)CCCC1C,0,GDB ChEMBL
191278,C=C(C)C(CC(C)C=CC)C1CC1,0,GDB ChEMBL
214892,C=CC1C2CC[NH+]1CCC(=CC)C2,0,GDB ChEMBL
43518,[NH2+]=C1CC2C(=O)NC(C[NH3+])C(O)C([NH3+])CC2N1,0,GDB ChEMBL
263445,CC([NH+]=C(N)N)c1nc(N)sc1C#N,0,GDB ChEMBL
196699,CC(C)C(C)(O)C(C(N)=[NH2+])C(N)=[NH2+],0,GDB ChEMBL
309855,CCC1CCC2CC(C)=CC1O2,0,GDB ChEMBL
81156,CCOC(C)CC1[NH2+]C2CC2C=CCC1C,0,GDB ChEMBL
61963,CC(O)CCCC(F)(F)F,1,GDB ChEMBL
134808,CCC1NC=CC(=O)N(CC#N)C1=O,0,GDB ChEMBL
230443,C[NH2+]CCC1(CO)C(CC=O)N1C(N)=O,0,GDB ChEMBL
141843,CC12CCC#CCCCC1C[NH2+]C2,0,GDB ChEMBL
306344,Cc1cc(F)cc(C#CC(=O)C(C)C)c1,1,GDB ChEMBL
167287,[NH3+]CC1OC12CCCC(CCC(=O)[O-])C2,0,GDB ChEMBL
284349,CC1=CCC(=O)C1(C)C#N,1,GDB ChEMBL
336031,CCC(C)(C#N)OC(=N)C1CN(C)C(=O)C1O,1,GDB ChEMBL
94734,CCc1c(Cl)c(C)c2c(c1Cl)C=CCCC2,1,GDB ChEMBL
110244,CC(CC1C(C[NH3+])NC(C#N)C1C[NH3+])C(N)=O,0,GDB ChEMBL
121991,O=CC1C2CNC(=O)C1(O)CC(CO)[NH2+]2,0,GDB ChEMBL
152074,C[NH2+]CC(C(N)=O)=C(C=O)C(=O)[O-],0,GDB ChEMBL
124850,CC1(C)CCCC(C2=[NH+]CCCN2)CCC1,0,GDB ChEMBL
53291,CC(C)NC(=O)C1CN1C,1,GDB ChEMBL
87504,CC([NH3+])COC(=O)C1(C)CNC(=O)C1,1,GDB ChEMBL
36220,CC(O)C(O)C(CO)NC(=[NH2+])NCC#N,0,GDB ChEMBL
150562,CC1CC(C)(C[NH3+])C(C(C)(C)O)[NH2+]C1C(N)=O,0,GDB ChEMBL
149379,NC(=O)CN1C(CCO)C1S(=O)(=O)[O-],0,GDB ChEMBL
164710,C#CC1[NH2+]C(C)C(C)C1(O)CCC[NH3+],0,GDB ChEMBL
34236,CC1CCC2C=CC(CC1)C(C)C2C,0,GDB ChEMBL
38211,CC(=O)CC(CNC(=O)CO)C1CC(C)C1,0,GDB ChEMBL
261442,CC([NH3+])C1(N)COC(=O)C2CN(C)C1C2O,0,GDB ChEMBL
147603,CC[NH2+]CC1OCC(C)(C)C1CC,0,GDB ChEMBL
35739,CCCC1C2CCCC2C(CC)C2CCC21,0,GDB ChEMBL
284281,CC1C=CCC2CCC1[NH+](C)C2CO,0,GDB ChEMBL
361829,C#CC1(CC)C=C(C(=O)[O-])CC1,0,GDB ChEMBL
33318,CN1C(=O)c2nc[nH]c(=N)c2C2CC21,0,GDB ChEMBL
266442,[NH3+]C1C2OCC1(O)C(OCC(=O)[O-])C2O,0,GDB ChEMBL
37316,CCC(CCCC1(C)CC1)CC(C)[NH2+]C,0,GDB ChEMBL
207298,COC1CCC(O)CC(C#N)C1=NO,0,GDB ChEMBL
61755,CS(=O)(=O)NC1CC[NH2+]CC(O)C1C(N)=O,0,GDB ChEMBL
300492,COCCCCC(=N)N(C(=N)N)S(C)(=O)=O,1,GDB ChEMBL
252355,C#CCN(C)Cc1ccc(OCCC)c(=[NH2+])[nH]1,0,GDB ChEMBL
87035,C#CCCC1(COCCCO)C[NH2+]CC1NC,0,GDB ChEMBL
132569,C[NH2+]C1C(N)C(=O)OC1C(O)CC(N)=O,0,GDB ChEMBL
28962,C[NH2+]CC(O)C(C(=O)[O-])N1CC1,1,GDB ChEMBL
338272,COCC1=CC2(C(C)=O)CC(C[NH+](C)C1)C2,0,GDB ChEMBL
70335,CN(C)C(=O)N(C=N)CC(N)=O,1,GDB ChEMBL
225420,COCC(=[NH2+])NCc1nc(C)c(CC(C)[NH3+])s1,0,GDB ChEMBL
203620,O=S1(=O)CCC=CC(O)CN1,1,GDB ChEMBL
353971,CCc1cc(Cl)c2c(c1)C1(CCCN2)CN1,0,GDB ChEMBL
333619,O=C(NC(=O)C1CO1)C1CNS(=O)(=O)C1,0,GDB ChEMBL
1465,CC(OCCO)C1[NH2+]CC2(N)CC12,0,GDB ChEMBL
44619,NC(=O)C(N)Cc1cn(C(N)=O)nn1,0,GDB ChEMBL
104935,COCC(C)CC(OC)C(=N)NC(N)=O,1,GDB ChEMBL
231164,C[NH2+]C1C(O)C(C)C2[NH2+]CCC21,0,GDB ChEMBL
342592,CC1(CCCC(N)=O)CN(C=O)C(=N)O1,0,GDB ChEMBL
29017,CCCC(CC)c1c(C)cc(CC)c(Br)c1Br,1,GDB ChEMBL
294180,CCc1cnc(C(C)(O)CO)c(F)c1,1,GDB ChEMBL
343943,CNC(=O)C1C(O)CCC(C)C1C,1,GDB ChEMBL
334159,CC1CCC(C)C(C)(O)CC1,1,GDB ChEMBL
295868,CCCC1OC(=N)Cc2c(I)cc(C#N)cc21,1,GDB ChEMBL
81124,CC(C)C[NH+]1CCNCC(C#CC(=O)[O-])C1,0,GDB ChEMBL
29966,CC1CCCC(CO)C2CC(C)(C[NH2+]C1)CO2,0,GDB ChEMBL
22547,COc1cnc(C#N)c2cc(OC)n(C)c12,1,GDB ChEMBL
387058,COC1(C[NH3+])CC[NH2+]C1c1cc(C)cnc1Cl,0,GDB ChEMBL
3010,N#CC1NCC2C3OCC(=O)C3[N-]S(=O)(=O)C12,0,GDB ChEMBL
28258,C#CC1(C)C=C(C(=O)[O-])CC1,0,GDB ChEMBL
112774,C#CCC1C2CCC=CC[NH+]1CC2,0,GDB ChEMBL
256170,CC(=O)OC(C)CC1CC(=N)N(C=O)C(C)C1,0,GDB ChEMBL
156158,CCOC(=O)C1CC2CC=C3CCN4C1C324,0,GDB ChEMBL
366033,C[NH2+]C1CCCC2OCC(C=O)C12,0,GDB ChEMBL
247368,CCC(O)C1CC(C)(N(C)CC#N)CS1(=O)=O,0,GDB ChEMBL
300558,CC1NC2(CS(N)(=O)=O)C([NH3+])C2OC1=O,0,GDB ChEMBL
391753,CNC(=O)n1nc(Cl)cc(C)c1=O,1,GDB ChEMBL
174203,CCC1(C)CCCC1Cc1ccc(C)cc1Cl,1,GDB ChEMBL
44697,[NH3+]C1C(=O)NCC2C1CC1NC(=O)C2(O)C1O,0,GDB ChEMBL
120542,C#Cc1cc(I)cc(CCCCCCC)c1C,1,GDB ChEMBL
196496,CC(C)(O)CCN1C(C(=O)[O-])C1(C)CO,0,GDB ChEMBL
300572,NC(=[NH2+])CC1OCCNC1=O,0,GDB ChEMBL
17068,C[NH2+]C(C)C(=O)C1C(O)C(O)C2OCCC21O,0,GDB ChEMBL
348672,Brc1ccnc2c1CC1CC(=CC2)CO1,0,GDB ChEMBL
70833,CCc1c2c(nn1C)N(C)CC(CCC#N)N2,0,GDB ChEMBL
67881,CCC([NH3+])CN(C)C1COC1C(=O)NC,0,GDB ChEMBL
217045,C=C1C=C(C)C2(CC2)C1CCCC,1,GDB ChEMBL
115225,O=C1NCS(=O)(=O)NCCCO1,1,GDB ChEMBL
221160,O=C1CC2CC3C=CC(C2)C3O1,0,GDB ChEMBL
288949,Cc1cc(Br)c2c(c1)CC(C)N2C1CC1C,1,GDB ChEMBL
265304,CC1(CO)CC([NH3+])(CC[NH3+])CCC1C#N,0,GDB ChEMBL
358248,CC1CC2(C(C)(C)C[NH3+])CC1[NH+](C)C2,0,GDB ChEMBL
701,CN1C(=O)C([NH3+])CC2C1C(O)C2S(N)(=O)=O,0,GDB ChEMBL
19392,CC1C(O)C(C2(C(N)=O)COC(=O)C2)C1O,0,GDB ChEMBL
153261,C#Cc1cc(COC)cc2c(C)cc(I)nc12,1,GDB ChEMBL
298249,COCc1nc(C(=O)NCS(C)(=O)=O)co1,1,GDB ChEMBL
157048,CCCC(=O)c1c(Cl)cc(Cl)c(Cl)c1OCC,1,GDB ChEMBL
215353,CCCC1CCCCC1c1cccc(C)c1Cl,1,GDB ChEMBL
117366,CCCN1CC(C(O)CS(N)(=O)=O)C1=O,1,GDB ChEMBL
82121,C#CC(C)OC1CC(OCC)(C(=O)[O-])CC1O,0,GDB ChEMBL
362822,CCCC[NH2+]CCC(=O)Nc1cccc(F)n1,1,GDB ChEMBL
354153,O=C1NC(=O)C2(CO1)OC2C(O)CO,0,GDB ChEMBL
175712,C=CCC12CCCC(C)(CO)C1C2,0,GDB ChEMBL
225397,CCNC(=O)C(OC(=O)NC=O)C(N)=[NH2+],0,GDB ChEMBL
58494,CNC(=O)N1CC([NH3+])C(N)C1=O,0,GDB ChEMBL
317147,C#CCC(CC)C(CO)(CO)C1[NH2+]CCC1C,0,GDB ChEMBL
278878,C#CCC1C2CCC(CC)C(C)[NH+]2CC1(C)C,0,GDB ChEMBL
317762,COC(C)c1cc2ccc(=O)ccc2nc1C,1,GDB ChEMBL
80210,CCC(CC)C(C)C1CC(C)CCC(C)(C)C1,0,GDB ChEMBL
338288,CCC1=CC2C=CC(CC[NH+](CC)CC1)C2,0,GDB ChEMBL
77816,CCCC([NH3+])CC1(CC)CC(C)CC=C1C,0,GDB ChEMBL
101876,CC1C=CC=CCC2(C)CCCC(C1)C2,1,GDB ChEMBL
349642,CNCC(=O)OC1CC(=NO)C1[NH+]=C(N)N,0,GDB ChEMBL
266497,COC(C)C1C=CNC1=O,1,GDB ChEMBL
146082,CCC1C=CCC2C(O)CC(CC(C)C)C12,0,GDB ChEMBL
39927,C[NH2+]CC(O)CC1(C[NH+](C)C)CC(=NO)C1,0,GDB ChEMBL
366935,CC1CC([NH3+])C(O)C(C(C[NH3+])C[NH3+])C1O,0,GDB ChEMBL
119863,Cc1cccc2c(N)nn(C)c2c(C#N)cs1,0,GDB ChEMBL
239153,CCOC(=O)C1N=CNc2nc(C)cn2C1=O,0,GDB ChEMBL
204148,C#CC1CCC(CCCCC)=CC1O,1,GDB ChEMBL
133010,CC(C)CCC1C[NH2+]CCC2(CC(C)C2)C1,0,GDB ChEMBL
24519,CCCC1(C)CCC(C(C)C2CC2)C1,1,GDB ChEMBL
62776,N=C1OCC(O)CC1NC(N)=[NH2+],0,GDB ChEMBL
67874,NC1C([NH3+])C12CCCCC(=O)O2,0,GDB ChEMBL
31776,COCCN(C)C(N)=[NH+]C(C)C,0,GDB ChEMBL
108743,C[NH2+]C1C=CC(C2CN2C(=O)OC)C([NH3+])C1,0,GDB ChEMBL
321946,NCC1[NH2+]C2CC(CO)OC2C1O,0,GDB ChEMBL
1473,CCCCCC12CC1C=C(C)C2CCCC,0,GDB ChEMBL
310744,CC1(C(N)=[NH2+])C(C=O)NC(=O)C1(O)C(=O)[O-],0,GDB ChEMBL
326471,CCC(N)=[NH+]C(C[NH2+]C)CC1OCC(O)C1O,0,GDB ChEMBL
331207,COC(=O)C1(O)C([NH3+])COCC1O,0,GDB ChEMBL
127643,CC(=O)C12CC(O)CC(CO1)C2,1,GDB ChEMBL
84987,CC1C(O)C2CC([NH3+])CC1([NH3+])C2C(=O)[O-],0,GDB ChEMBL
348717,O=C([O-])CNC(=O)C1=CC(O)C(=O)N1,0,GDB ChEMBL
378579,COCC1(C)C(C)N1C(=O)C1([NH3+])CC1,0,GDB ChEMBL
1039,C[NH2+]C1CNC(C([NH3+])CO)CC1(OC)C(=O)[O-],0,GDB ChEMBL
220147,CC1CC2([NH3+])C(C(O)CO)C2N1S(C)(=O)=O,0,GDB ChEMBL
302591,CC1(C(N)=O)[NH2+]CC1(CO)C(N)=O,0,GDB ChEMBL
268126,CCC1CC2(O)CC(C)(CC2C#N)[NH2+]1,0,GDB ChEMBL
199424,COC1(C(C)NC=O)CC2CC1(O)C(C)C2O,0,GDB ChEMBL
42601,CC1CCCCC23CC2(C)CC(O)CC13,0,GDB ChEMBL
70292,CCC1(CC(C)=O)C(C)C(C)[NH+](C)C1C,0,GDB ChEMBL
318395,CC1c2ccc(O)c(Cl)c2NCC12CC2,1,GDB ChEMBL
316418,CC12C=CC(O1)C(CO)[NH+](C(C)(C)C)CC2,0,GDB ChEMBL
288940,C#CC(CCC1COC1)c1cn(C)nc1C,1,GDB ChEMBL
351130,O=CC(=O)OCCC[NH2+]C1CC1,1,GDB ChEMBL
243399,CCOC(=O)C1C(=O)NCCN1C=N,0,GDB ChEMBL
311681,C=C1CCCC(CCCC)C1CC,1,GDB ChEMBL
22536,N#CC1CC2(O)CC1CC2NC(N)=[NH2+],0,GDB ChEMBL
103457,CCC(O)CC1CN2C(CO)C2C1[NH3+],0,GDB ChEMBL
343248,CCC1CCc2cc(C3CC3)cc(Br)c2C1,1,GDB ChEMBL
150162,C#CC1(c2cc(C)c(C)c(F)c2O)CC1,1,GDB ChEMBL
213976,CC([NH3+])C12NCCC(CCCC1O)[NH+](C)C2C,0,GDB ChEMBL
149440,COCC1CC2C(C)CC13C[NH+]23,0,GDB ChEMBL
76464,COCC1(C)C=CC=CC=C1C(=O)[O-],0,GDB ChEMBL
383676,CCc1cc(O)c(C)c(Br)c1,1,GDB ChEMBL
337427,COC1CCCC(CN)[NH+]2CCC2CC1C,0,GDB ChEMBL
294249,N#CC1CC(C(N)=O)N=C1N,0,GDB ChEMBL
136477,CC#Cc1c(CO)ccn1CC(N)C#N,0,GDB ChEMBL
162903,NC1COCC12CCC(C(=O)[O-])[NH2+]2,0,GDB ChEMBL
104431,COCC(=O)c1cc(CC(C)O)cs1,1,GDB ChEMBL
134798,CC1CCCC2(CN2C=O)C(=O)O1,0,GDB ChEMBL
352598,CCCc1[nH]cc2c1CCN2,1,GDB ChEMBL
84561,CCC1C(O)CCC2C[NH+]1CCC(CCO)O2,0,GDB ChEMBL
395588,[NH3+]CC1CC[NH2+]CC(O)c2ccc(Br)c(n2)C1,0,GDB ChEMBL
144606,CCC(O)(C[NH3+])Cc1nc(C)co1,0,GDB ChEMBL
16012,NC(=O)C(=O)OCC(N)C(N)=O,1,GDB ChEMBL
176422,CC(NC=O)C(C(O)C(=O)[O-])C1(O)COC1,0,GDB ChEMBL
81535,CNc1nc2c(c(O)c1Cl)CCCCC2,1,GDB ChEMBL
366734,Nc1cncnc1CNC=O,1,GDB ChEMBL
152029,CC1OC(=O)C1NC1CC(CO)C1[NH3+],0,GDB ChEMBL
76462,CC1CC(=[NH2+])N2C(C(=O)[O-])C12,0,GDB ChEMBL
22485,C=CC1NCC(OCC[NH3+])CC1[NH3+],0,GDB ChEMBL
355000,CC(=[NH2+])N1CC2[NH2+]C(C)CC1C(O)C2O,0,GDB ChEMBL
165600,C#CC1CC(C(=O)[O-])C(CO)C1O,0,GDB ChEMBL
23620,O=C(CC1CC1)C1CCCCCCO1,1,GDB ChEMBL
252599,N#CC1OC2COC(N)=[NH+]C(CCC[NH3+])C1C2,0,GDB ChEMBL
38547,CC(C)CCC1C=CCn2cccc21,1,GDB ChEMBL
299768,C[NH2+]CCc1snc(O)c1C(=O)OC,0,GDB ChEMBL
208610,CCC1COC(C)(C)C(C)C1,1,GDB ChEMBL
5025,C#CC1(O)CC(O)C([NH2+]C(C)C(C)=O)C1C,0,GDB ChEMBL
333097,CC1CC(O)C(N)C1(CO)[NH+]=C(N)N,0,GDB ChEMBL
87107,CCC1C[NH2+]C2C(C)C2C1C(CC)C(N)=O,0,GDB ChEMBL
204392,CC(C#N)CC(C)(C)C(C)[NH2+]CCC#N,0,GDB ChEMBL
104413,CC1(C)C2=CCC(CO)CC(=O)C1CC2,0,GDB ChEMBL
163407,C[NH2+]C1C2CN(C)C1C(O)CC2CO,0,GDB ChEMBL
235888,CC(C)C(CO)N1C=C(C(=O)[O-])CS1(=O)=O,0,GDB ChEMBL
11386,C[NH2+]CCCC(C)CC=C1C[NH2+]C1,0,GDB ChEMBL
21909,C[NH+]1CC23CCOC2C1C3CC[NH3+],0,GDB ChEMBL
201434,CC1([NH3+])CC(=O)NC(=O)C1,1,GDB ChEMBL
304611,CCC(=NO)C(C(N)=[NH2+])C(=O)CO,0,GDB ChEMBL
200546,CC1C(=O)COC(=O)NC2(C)CC(O)CN1C2,0,GDB ChEMBL
267376,C#CC1CCC(C(C)CCCCC)C1(C)C#C,0,GDB ChEMBL
50961,CC(C(=O)[O-])C1NCS(=O)(=O)[N-]C1=O,0,GDB ChEMBL
55564,CCN(CC#N)C1(CO)CC1,1,GDB ChEMBL
305992,CCC(C)(C)[NH+]=C(N)CCC#N,0,GDB ChEMBL
280338,CC[NH2+]C1CC=C(CC)C1O,0,GDB ChEMBL
147409,CC1CC(C)C2(C1)CC(N1CC1)C(=O)O2,0,GDB ChEMBL
195400,CC(=O)NCC1(O)C(=O)OC2(C(N)=[NH2+])CC12,0,GDB ChEMBL
119458,C#CC1(C[NH2+]C)CC1C(O)CC,1,GDB ChEMBL
225432,CN(C)C(C(N)=[NH2+])C(C)(C)C[NH3+],0,GDB ChEMBL
130461,CC1[NH2+]CCc2ncsc21,0,GDB ChEMBL
395117,CCOc1nc(O)sc1CNC(N)=[NH2+],0,GDB ChEMBL
383807,CCc1cc(Cl)c2c(c1)C(C)(C)CC(C)(C)C2,1,GDB ChEMBL
339998,CNC1C([NH3+])C(C)C1(C[NH3+])C(O)CCO,0,GDB ChEMBL
275592,CCCCCC[NH+]=C(N)c1cc(I)ccc1C,0,GDB ChEMBL
134794,OCC(O)CC1COCC1CO,0,GDB ChEMBL
354062,CC(C)C1CCC2CCCC1(C)C2,0,GDB ChEMBL
112771,CC([NH3+])COC1CCCc2sc(N)cc2CC1,0,GDB ChEMBL
276118,NC(=O)CC(O)C(O)C(C=O)C(N)=O,0,GDB ChEMBL
76113,CCCCC(C)c1cc(Cl)nc(C[NH2+]C)c1Cl,0,GDB ChEMBL
11015,CCC(C)CC1(CCC(C)C)CCCC1CC,0,GDB ChEMBL
127024,CC1(COC(=O)C(O)C#N)CC([NH3+])CCO1,0,GDB ChEMBL
396716,Cc1sc2c(ccc3c(F)ccnc32)c1C,1,GDB ChEMBL
114796,CC(C)[NH2+]C(C)(C)C#CC1CCCC1,0,GDB ChEMBL
361624,CC12Cc3cncc(F)c3CCC(C1)C2,0,GDB ChEMBL
270044,[NH3+]C1C(=O)NC2CC3OC2CC31,0,GDB ChEMBL
161966,CN1C2C[NH2+]C3CC1CC3C2,0,GDB ChEMBL
366887,N#CCOC(=O)C(=O)NCC[NH3+],1,GDB ChEMBL
74349,[NH3+]C1C2C(O)C2CNS(=O)(=O)C1CC(=O)[O-],0,GDB ChEMBL
35020,CN(C=O)CCOCC[NH3+],0,GDB ChEMBL
259530,O=C1NC2CC3C(CCO)CC1C23,0,GDB ChEMBL
27022,CC[NH+]1C2CC(C)(CC2C)C1C,0,GDB ChEMBL
174039,C[NH2+]CC(C)C(O)C1(C[NH3+])C(C)[NH2+]CC1OC,0,GDB ChEMBL
8717,CC([NH3+])C1CNCC[NH2+]CC(O)(CO)C1,0,GDB ChEMBL
338566,CC(CN)[NH+]1CCCc2c[nH]cc2CC(O)C1,0,GDB ChEMBL
304419,CC(C)CCC([NH3+])c1c(Br)c([O-])cc(Br)c1Br,1,GDB ChEMBL
95543,C#CC1(O)C(C#N)CC1(N)C(=O)NC(=N)N,0,GDB ChEMBL
6093,CC1CCC(C(C)CC(C)(C)C(C)C=O)CC1,0,GDB ChEMBL
93755,CCn1c(OC(C)C)cc(C)c1C,0,GDB ChEMBL
44093,CC1[NH2+]C(CC(CO)CC(N)=[NH2+])CCCC1O,0,GDB ChEMBL
66726,CC1c2cc(Cl)ccc2C2(C)CCC1C2,1,GDB ChEMBL
247182,CC#CC1(CO)CC1C#N,1,GDB ChEMBL
331764,CCCCC1C2CCC(C2)C(C)C2CC[NH+]1C2,0,GDB ChEMBL
338851,CC1CCC=C(C(C)C)C(C(C)C)CC1,0,GDB ChEMBL
19644,c1cc2c(c3c1CCCC3)CCC2,1,GDB ChEMBL
247599,Cc1cc(Br)cc(Br)c1C(OC(C)C)C(C)C,1,GDB ChEMBL
309215,COCC(CC1CC1)C(C)NC(=O)CO,1,GDB ChEMBL
39711,N=C(CCC(=O)[O-])OC1C[NH2+]C2(CC2)C1,0,GDB ChEMBL
68462,C#CC1CC[NH+](CC(C)(C)C(C)(C)C[NH3+])CC1,0,GDB ChEMBL
47722,CC(C)C12OC1CS(=O)(=O)NC2C(N)=O,0,GDB ChEMBL
288435,C[NH2+]C(CO)C1OC(=O)N2C(C#N)C12,0,GDB ChEMBL
215283,CCCC[NH+](CCC)C(C)(C)C,0,GDB ChEMBL
279954,CCC(C)CC(CCC[NH3+])Cc1c[nH]cc1C,0,GDB ChEMBL
354026,CC(=O)CC(C)C(C)C(C)(C)CC1CC1,0,GDB ChEMBL
38582,CNc1c(I)nc2ccc(C(C)C)cn2c1=O,1,GDB ChEMBL
77038,CCN(CC)C(=O)C1CN1,1,GDB ChEMBL
296021,CC(C)(C)C1(CCO)CC2([NH3+])CCC(CC2)O1,0,GDB ChEMBL
141746,CC(O)C1CC2CC2CCO1,1,GDB ChEMBL
76974,NC(=O)CN(CC(=O)C(=O)CO)C(N)=O,1,GDB ChEMBL
304877,C#CC1C(CC(C)[NH+](C)CC)[NH2+]C1(C)CC,0,GDB ChEMBL
237977,COC(C)Cn1nnc(C(C)[NH3+])n1,0,GDB ChEMBL
264922,CCC1CCCC=CC(C)C2CCC1C2C,0,GDB ChEMBL
387207,COCCOCC1C(C)C(C)(C)[NH+]1C(C)C,0,GDB ChEMBL
77021,CCC1C[NH2+]C(C(C)OC)C12C(C)CCC2C,0,GDB ChEMBL
298075,Cc1cc(O)c2c3c1C(C)C1C[NH+](C2C)C31,0,GDB ChEMBL
129542,CCN1CC(C#N)C2C1C[NH2+]C2(CC)CO,0,GDB ChEMBL
342625,C1#CCCc2ccc(cc2)C=CCC1,1,GDB ChEMBL
308155,CCc1cc(C)cc2c1C(NC)=[NH+]CCOC2,0,GDB ChEMBL
211112,Cc1cc2c(c3c1CCC3)CCCCC=C2,1,GDB ChEMBL
398805,CCCC1CC(C(C)CCCC(F)(F)F)C1,1,GDB ChEMBL
17073,CN1C(=O)C(C)(C(O)S(N)(=O)=O)N=C1N,0,GDB ChEMBL
115281,CC([NH3+])CN=C(NC(=O)C(C)O)N1CC1,0,GDB ChEMBL
290516,C#CCc1c(C#N)cc(C#C)c(O)c1CCC,0,GDB ChEMBL
246940,N#CC1NC2C(O)CC[NH2+]CC(N)C1C2O,0,GDB ChEMBL
84595,CC1C2C3=C(C[NH+](C)C3)C1C1CC12,0,GDB ChEMBL
67855,CCC12CC[NH+](C)CCCC1(C(C)(C)C)O2,0,GDB ChEMBL
220175,OC1C=CC2C3[NH2+]CCC23CCC1,0,GDB ChEMBL
307482,CC1CC(O)CN(C=O)CC1C,1,GDB ChEMBL
107032,CC1(CCCO)C2CCC2C2CCC21,0,GDB ChEMBL
156133,CC1(C(F)(F)F)CCC=CCCC1,0,GDB ChEMBL
290556,CCC1CC(C)C(C)CC2CC[NH2+]C12,0,GDB ChEMBL
86676,CC(=O)Nc1noc2sc(C(N)=O)cc2c1=O,0,GDB ChEMBL
173963,C#CC1COCC(C)CCC1C[NH+](C)C,0,GDB ChEMBL
204624,COC(=O)CCC1=CC2CC2C1,1,GDB ChEMBL
308121,CCC1CCCC2C3CC(C1)CC23,0,GDB ChEMBL
41130,CCN1c2c(F)cccc2CCCC2CC21,1,GDB ChEMBL
170074,N#CCC1(N)COC(=O)NC(=N)C1,0,GDB ChEMBL
6481,C#Cc1cc2nc(C)cc(CCC)c2nc1Br,1,GDB ChEMBL
243764,CCC=C(C)CCC1(CC)CCC1,1,GDB ChEMBL
65628,CN(C(N)=[NH2+])C(C=O)CCO,0,GDB ChEMBL
48037,CCCCC1CC2CC(C)(C)CCC(O2)C1C,0,GDB ChEMBL
301410,C#CC(OC=O)c1nc(NCC)ccc1CO,1,GDB ChEMBL
224031,CC(C[NH2+]CCO)C(=O)N(C)C(=N)C=O,1,GDB ChEMBL
87099,CCC1CC[NH2+]C(C)C=CCC(C)CO1,0,GDB ChEMBL
383759,CCC1(NC(N)=O)C[NH+](C)C(CCO)C1C,0,GDB ChEMBL
239133,CCC1C(C)=CC2C(C)CCC12C,0,GDB ChEMBL
355349,CC(O)(C#N)C1C(=O)NC2CC([NH3+])COC21,0,GDB ChEMBL
255335,CC([NH3+])C(N)CC1(N)C[NH2+]C(C(=O)[O-])C1O,0,GDB ChEMBL
362387,COC1C(C)CCC1C(O)C(O)C#N,1,GDB ChEMBL
71704,CC(=O)C1(O)CC(C(N)=O)NC1=N,0,GDB ChEMBL
23923,N#CC1C(O)C2CNC(=O)C(N)(CO)C1O2,0,GDB ChEMBL
261375,C#CCC(C(C)C)C(C)C(C)C(C)CC,0,GDB ChEMBL
165211,C[NH+]1CC2(CCC3OC3CC2)C1,0,GDB ChEMBL
273680,Cc1ncc(CC(C)OCC(=O)[O-])sc1=O,0,GDB ChEMBL
284799,C#CCNCc1ccc2nccn2n1,1,GDB ChEMBL
247195,C[NH+]1CC2(CC3CC3)CCCC12,0,GDB ChEMBL
94709,C#CCCCCc1cc(OC(C)CC)c(N)s1,1,GDB ChEMBL
159709,C[NH2+]C1CCCC2CC(C2)C1=O,0,GDB ChEMBL
386177,CCc1ncc2c(c1C)C(C)OC2C,1,GDB ChEMBL
248856,COC(C[NH3+])C1=CC[NH2+]CCCN1C(N)=O,0,GDB ChEMBL
148895,CC1C2C(CC(=O)[O-])C[NH+]12,0,GDB ChEMBL
377975,NC(CCO)C[NH2+]CC(=O)[O-],1,GDB ChEMBL
394373,CC(=O)CCOc1ncc(C)s1,1,GDB ChEMBL
271554,CCC1([NH2+]C)CN2C(=O)OCC2C1C,0,GDB ChEMBL
173732,C=CCC1C(C#N)CC1[NH2+]C(C)C,0,GDB ChEMBL
375185,CCCC(C[NH2+]C1CC1)C1CC1,0,GDB ChEMBL
278217,O=CNC1C(=O)C(=O)OC1C(O)CO,1,GDB ChEMBL
26374,CCOCC(C#CC[NH3+])C(O)CC,0,GDB ChEMBL
126952,CNC(C[NH+]=C(N)N)C(N)C[NH3+],0,GDB ChEMBL
334463,CC1CCC2CC3CCCC3[NH+](CC(C)C1)C2,0,GDB ChEMBL
135790,CCC(O)CC[NH2+]C1CC(C)COC1OC=O,0,GDB ChEMBL
208336,CCC1(COC(C)CN2C=[NH+]CC2)CCCC1,0,GDB ChEMBL
391594,CCCC1C([NH3+])C1(C)CC(C)C,0,GDB ChEMBL
156140,CC(=O)N1CCC(=NO)C2CC(C1)NC2=O,0,GDB ChEMBL
382530,C=C1c2c(ccc(C)c2Cl)C2CC12,1,GDB ChEMBL
35325,Cc1nc(NCCOC=O)nc(=O)cc1C=O,0,GDB ChEMBL
341920,COC(C(N)=O)(C(O)CO)C(C)C(C)=O,1,GDB ChEMBL
48147,C#CC1CC1Cc1ccc2sccc2c1N,0,GDB ChEMBL
151082,[NH3+]CC(CO)CNC(=O)CS(=O)(=O)[O-],0,GDB ChEMBL
77260,CCCC1(C)CC(C)(C)c2c(C)ccc(Cl)c21,1,GDB ChEMBL
85076,CC1CC(C(C[NH3+])CCC(C)(C)C)C[NH+]=CN1,0,GDB ChEMBL
261416,C#Cc1cc[nH]c(=O)cc(C#N)cc(N)c1,0,GDB ChEMBL
66139,C[NH2+]CC(O)(CO)C(=O)N1CC(O)C1,1,GDB ChEMBL
280449,CC(C)OCCC1C[NH2+]c2c(N)cc(=O)[nH]c21,0,GDB ChEMBL
338552,CCC1(C)OC(C)C1(N)[C-](C#N)C(=O)NC,0,GDB ChEMBL
305300,CCC1CCCCC2CC1(C)OC2C,0,GDB ChEMBL
365772,CC12CC(C1)C1C=CC2c2cc(Cl)ccc21,0,GDB ChEMBL
353926,N#CC(=N)NC(C[NH3+])CC(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
363265,CCC1C(CC2CCCC2)C2CC[NH+]1C2C,0,GDB ChEMBL
111575,[NH2+]=C1NCC(C2OCC([NH3+])C2O)O1,0,GDB ChEMBL
212562,C[NH2+]C(C)CC1CCCCC(C)C1,0,GDB ChEMBL
47211,CC1CCS(=O)(=O)NC2C([NH3+])C2NCC1O,0,GDB ChEMBL
44623,CCOC1(C)CN(C(=O)N(C=O)CC[NH3+])C1,0,GDB ChEMBL
255385,Brc1ccc2c(C3CC3)c(Br)ccc2c1,1,GDB ChEMBL
1454,CC(C)C1CC2(C)OC2C1O,1,GDB ChEMBL
319783,NC(=O)C(O)(C(=O)[O-])C12CC(O)C(CO1)O2,0,GDB ChEMBL
41585,NC(=[NH2+])c1c([O-])cc(=[NH2+])[nH]c1CO,0,GDB ChEMBL
39702,CC1CNC(C)(C[NH3+])C(C(N)=O)NCC1O,0,GDB ChEMBL
7403,CC[NH2+]C1(C)CCC(=O)CC1O,0,GDB ChEMBL
27933,CCCC(C)C(CC)C1(CC)COC(=O)C1N,0,GDB ChEMBL
384274,CC(CCNC(=O)CO)S(N)(=O)=O,1,GDB ChEMBL
84993,[NH3+]CC1CCOC2=NCC(COC(=O)N2)[NH2+]C1,0,GDB ChEMBL
318089,N#CC(CNCC(=O)[O-])=N[O-],1,GDB ChEMBL
217072,CC[NH2+]C1CC2C([NH3+])C2C1NC,0,GDB ChEMBL
197213,CC(=O)C(=O)NC(=O)C(CO)NC=O,1,GDB ChEMBL
190006,C#CC1CC([NH3+])CN2CC1(O)CC2C(N)=O,0,GDB ChEMBL
77267,CC1CC2(C[NH+](C)C)CC(CC#N)CC2C1[NH3+],0,GDB ChEMBL
36224,CC(C)(C)Cc1c(N)ncc2c1C=CC2=O,1,GDB ChEMBL
320457,CCC1C(C)CCC2C[NH+](C)C(C)C21C,0,GDB ChEMBL
161814,CC([NH3+])C1C(O)C1NC(N)=[NH2+],0,GDB ChEMBL
156001,C#CCCC1C(C)CCC2C[NH2+]C(C)CCC21,0,GDB ChEMBL
259077,COC1C(O)CC(O)C(C)C1O,1,GDB ChEMBL
169383,CCNC(=O)C(O)C(C)(O)CC(C)[NH3+],0,GDB ChEMBL
318569,CC1OC2CCCC(CO)(C1O)C2O,0,GDB ChEMBL
277461,N#Cc1ccc(Cl)c(COC2CCC2)c1,1,GDB ChEMBL
222778,COC1(CC[NH3+])C([NH3+])C1OS(N)(=O)=O,0,GDB ChEMBL
17579,CC(C)CC1(C)CCCC(C)(CO)CC1(C)O,0,GDB ChEMBL
383028,CC(C)=CCC([NH3+])CCNS(C)(=O)=O,0,GDB ChEMBL
345809,C#CC1C(C)C1(C)c1ccc(O)c(Br)c1,0,GDB ChEMBL
117433,CC(CC1=CCC[NH+]2CCNC(C1)C2)=NO,0,GDB ChEMBL
24282,CC(CC(=O)[O-])c1nn[n-]n1,0,GDB ChEMBL
341362,CN1CC([NH3+])C(O)C1C1CC1OS(N)(=O)=O,0,GDB ChEMBL
383691,CC(Nc1ncnc(I)n1)C(=O)[O-],1,GDB ChEMBL
157683,CC1=CCC2(CCCC(F)(F)F)CC1C2,1,GDB ChEMBL
130413,CCCCCCC1CCCC=C1C1CCO1,1,GDB ChEMBL
66713,O=C1CC2C3[NH2+]C(CO1)C(O)C23O,0,GDB ChEMBL
248607,CCCOc1ncc(NC(C)=NCCO)cn1,0,GDB ChEMBL
34319,Cn1c(C=O)cnc1C(C#N)CO,1,GDB ChEMBL
65939,CCC1(CC)CCCC=C(C)COC1,1,GDB ChEMBL
57283,NC1=[NH+]C2CC2C(C(O)C([NH3+])C(=O)[O-])O1,0,GDB ChEMBL
393928,CCCCC1CCC2C3CC(C)C(C[NH2+]3)C12C,0,GDB ChEMBL
294251,CCCC1CC[NH+]2C(C)CC1C2(C)C(C)(C)C,0,GDB ChEMBL
289249,CCCc1cc2c(s1)C(COC)[NH+]1CC2C1,0,GDB ChEMBL
23560,Cc1cc2c(I)cc(COC3CC3)cc2o1,1,GDB ChEMBL
59187,CC(C)C(CO)C(C)[NH3+],1,GDB ChEMBL
334731,C#CC(CC)c1cc(C)c(C(C)(C)C)cc1C,1,GDB ChEMBL
205936,CCCc1c(Br)cc(Br)c(C(C)C)c1C(C)C,1,GDB ChEMBL
271488,CCC#CC(C=O)(CC)NCCCO,1,GDB ChEMBL
12813,CCc1cc(C(CO)C(C)[NH3+])[nH]c(=[NH2+])c1,0,GDB ChEMBL
344333,CCC1(CO)OC(C)C(C)[NH+]=C(N)CNC1=O,0,GDB ChEMBL
102293,CC1(OC(N)=O)CC[NH2+]C1(CN)C(=O)[O-],0,GDB ChEMBL
128261,CCOC(C)CCC1C(CO)CCCC1(C)C,0,GDB ChEMBL
334616,Cc1cc(C2CC2)c(N)cc1F,1,GDB ChEMBL
195369,CNC(C#N)C1=CC(=O)NCC1,1,GDB ChEMBL
374030,COC(=O)C1CC2C(CO)N2C(N)=[NH+]1,0,GDB ChEMBL
13780,C#CC1CCC(C)([NH2+]CC)C1C(C)CC,0,GDB ChEMBL
334032,CC1=CCC(C(C)(C)C)C(C(C)C)CC1,0,GDB ChEMBL
115257,CC1OC(CC[NH3+])C2CC=CC1(C)C(=O)O2,0,GDB ChEMBL
251798,CC1CC(C#N)CCC2=CC(C3CC3)[NH+]1C2,0,GDB ChEMBL
95883,NC(=O)N1CC1C(O)C(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
17082,Cc1c(I)ccc(C([NH3+])Cc2cccs2)c1C,0,GDB ChEMBL
282222,Cc1cc(N)[nH]c1CCC[NH2+]CCC#N,0,GDB ChEMBL
5231,CCC1(C)CC([NH3+])CC=C(C#N)C(O)C1,0,GDB ChEMBL
182254,N#CC1C2OCCNCC12C([NH3+])CO,0,GDB ChEMBL
251883,CC(O)Cc1c(Cl)cccc1Cl,1,GDB ChEMBL
228861,COC12C=C(C(N)=O)CC(C#N)C1C2O,0,GDB ChEMBL
17625,C[NH2+]C(C(=O)[O-])C1(C)NC(=O)C1N,0,GDB ChEMBL
132310,CCC(C)(C=O)[NH2+]CC(=O)[O-],1,GDB ChEMBL
21890,CCCCCc1cc(C(C)(C)C)cc(C)c1Br,1,GDB ChEMBL
109470,CCC(C[NH3+])CC1C=CC[NH2+]1,0,GDB ChEMBL
215477,CCC(C)(C)C1CCC(C)([NH3+])C1COC,0,GDB ChEMBL
29596,CCC(C=O)C(C)(C)CN1CC(OC)CC1=[NH2+],0,GDB ChEMBL
234428,C=C(CCOC)C1([NH2+]C)CC1C[NH3+],0,GDB ChEMBL
317349,CCOCC=C(C[NH2+]C)C(=O)OC,0,GDB ChEMBL
385920,COC1C2C(C[NH+]3CC23)C(=O)N(C)C1CO,0,GDB ChEMBL
16738,CCC1[NH2+]C2(C)CC1CC2CCC(C)C,0,GDB ChEMBL
225435,C#CC(C)NC(=O)Oc1c(Cl)cc(Cl)cc1Cl,1,GDB ChEMBL
73815,CCC(C=O)NC(CC(=O)[O-])C(O)C(N)=[NH2+],0,GDB ChEMBL
310309,CC1=CC2c3c(C)ccc(F)c3CC2C1,1,GDB ChEMBL
228511,CN1CCC2(CCC2)C2CC2C1=O,1,GDB ChEMBL
59196,C#CC1=NC(C(O)CC)CCO1,0,GDB ChEMBL
226249,COCc1cc([O-])nc(=N)c(OC)c1N,0,GDB ChEMBL
254246,CC(CS(=O)(=O)[O-])N1CCCC1=[NH2+],0,GDB ChEMBL
111488,CC(C#N)(C#N)C(=N[O-])C(N)=[NH+]CC(=O)[O-],0,GDB ChEMBL
301535,COC12C(O)C[NH+](C)CCC1([NH3+])CC2C#N,0,GDB ChEMBL
31996,CCCCOC1(C)C2C=CCC(C(C)C)C21,0,GDB ChEMBL
148177,CC(C)([NH3+])CC1C([NH3+])C1C(=O)NC(N)=O,0,GDB ChEMBL
29496,[NH3+]C1CC2CC1OC2C1CC(=O)[N-]S1(=O)=O,0,GDB ChEMBL
314913,C#CCn1cc2c(c1)CC1(CC1)C2,1,GDB ChEMBL
13181,CC1=CCC(COCCO)C(C)C1C,0,GDB ChEMBL
235601,CC1C[NH+](C)CC2=CCC([NH3+])C(C)(C2)C1,0,GDB ChEMBL
71427,CCC12CCCC(C(C)C)C1C=C(C)C2,0,GDB ChEMBL
263221,CCC1CC=CC2CC(C)CC1C[NH2+]2,0,GDB ChEMBL
342568,CCC(O)CCC1CCC1OC,1,GDB ChEMBL
121743,O=C1NC2C3C=CC(O)C2OC13,0,GDB ChEMBL
293786,[NH3+]CCC(O)CCC(C[NH3+])(CCO)OC=O,0,GDB ChEMBL
151166,CC#CC(O)C1[NH2+]CCC1(C)C,1,GDB ChEMBL
54071,CC#CC1(OCC)CC(C(C)[NH+](C)CC)C1,0,GDB ChEMBL
76438,C[NH2+]C1CC2C(CC(F)(F)F)COC1C2C,0,GDB ChEMBL
312219,CCC(C)CC=C(C)CC(C)CC,1,GDB ChEMBL
160364,CNC(=O)OCC(C[NH3+])(CC[NH3+])NC(=[NH2+])OC,0,GDB ChEMBL
6826,CC(=O)c1cc(Br)c2c(c1)C(C)CN2C,1,GDB ChEMBL
354338,CCOCCOC(C([NH3+])CC)C(C)(O)CC[NH3+],0,GDB ChEMBL
386605,Cc1ccc2c(c1Br)CC1(C#N)CCC2CC1,1,GDB ChEMBL
124204,COC1CC(C)[NH2+]CC(C)(CC=O)C1=O,0,GDB ChEMBL
202017,CC(C=O)C1COC2CCOC(=O)NC1C2O,0,GDB ChEMBL
184097,CNC(CC(O)(C#N)C(N)=O)C([NH3+])CC(=O)[O-],0,GDB ChEMBL
112631,C[NH2+]CC1=CCCC(C(C)=O)CC1CC#N,0,GDB ChEMBL
34347,CC[NH+]1C2CCC1C1CC(CC1[NH3+])OC2C,0,GDB ChEMBL
348571,[NH3+]CCC(=O)Nc1sc(O)nc1CO,1,GDB ChEMBL
126352,CC12CC(O)C(NC(=O)N1)C2=O,0,GDB ChEMBL
34435,Cc1nc(C[NH3+])cc2c1CC1CC1(C)C2,0,GDB ChEMBL
70354,CCS(=O)(=O)N1CC2CCC1(C#N)C2O,0,GDB ChEMBL
124743,CC1CC2(C[NH2+]1)COC(C(=O)[O-])C2[NH3+],0,GDB ChEMBL
23991,C[NH2+]C1C(N)C(O)C(C(=O)[O-])C(O)C1O,0,GDB ChEMBL
311315,C=CC(CC#CC)CCCC=CC,1,GDB ChEMBL
68521,C[NH2+]C(C)CCOC1C[NH2+]C1,0,GDB ChEMBL
127711,CCC12CCN(C)C(C[NH2+]1)C2C(=O)[O-],0,GDB ChEMBL
112436,CN1CC23C(O)CC4COCC2(OC1=O)C43,0,GDB ChEMBL
221100,CCC1(CC)C(C)C(COC)C(=[NH2+])N1CCN,0,GDB ChEMBL
130590,CC1N2C(=[NH2+])NCC12C(NC(N)=O)C(=O)[O-],0,GDB ChEMBL
127183,NC(=O)C1C(=O)C(CC=O)NCC1O,1,GDB ChEMBL
299942,NC=C(C#CC1CCC[NH2+]1)C(=O)[O-],0,GDB ChEMBL
143191,CC1N=C2NC(CN)(CO)CN2C1=O,0,GDB ChEMBL
376974,N#CCC(=O)NC(=O)N1C(N)=NCC12CC2,1,GDB ChEMBL
344351,CCC1CC2C(C)=CCC=CCC1C21CC1,0,GDB ChEMBL
393548,CNc1cnc(N)c2c1N(C(C)=O)C=CC2,0,GDB ChEMBL
140162,CCCNC(=O)C1(C)CO1,1,GDB ChEMBL
349516,NC(=[NH2+])CC(N)C1CN1CC(N)=O,0,GDB ChEMBL
67837,C#CC(CC)(CC)CCC1CC(CO)C[NH2+]1,0,GDB ChEMBL
258216,CCC1CCC2(C)CC(C)(C)CC2C1C(C)C,0,GDB ChEMBL
34767,CCC1(C)CC[NH2+]C(C)CCCC(C)COC1,0,GDB ChEMBL
194455,COCC([NH3+])C(O)COCC[NH3+],0,GDB ChEMBL
249519,Fc1cc(F)cc(C2CCCCC2)c1,1,GDB ChEMBL
385497,C#CCc1cc(CC)c(Cl)c(CC#C)c1,1,GDB ChEMBL
255375,Cn1nncc1CC1CC[NH2+]1,0,GDB ChEMBL
41646,CC(O)CN(C)C(=O)[N-]S(=O)(=O)OC1C[NH2+]C1,0,GDB ChEMBL
261205,O=C([O-])C12COC3CC3C1OC(CO)C2O,0,GDB ChEMBL
236634,CCC1C=CC(CC(C)=O)CC1,0,GDB ChEMBL
70895,CC#CC(=O)NCc1csc(O)n1,1,GDB ChEMBL
290532,CCC1CC2(CO2)C2CCCC12,1,GDB ChEMBL
339063,C=C1C(C)C2CC2C1CCCOC,1,GDB ChEMBL
84905,CC1CC(C)C1C[NH3+],0,GDB ChEMBL
252869,C#CCC(O)CCCC#CC,1,GDB ChEMBL
81552,CCC1OC1C(=O)N1CC1C[NH3+],0,GDB ChEMBL
47689,CC1=CCC2(C)CC1C(C[NH3+])C2[NH+](C)C,0,GDB ChEMBL
47682,CC12C[NH2+]C1CC([NH3+])C(CO)C2,0,GDB ChEMBL
76935,NC(=O)c1conc1[NH+]=C(N)N,0,GDB ChEMBL
75034,CN1C(C[NH+]=CN)CC([NH3+])C1CC(=O)[O-],0,GDB ChEMBL
151104,C#CC(C#CCCCO)C(CC)CC,1,GDB ChEMBL
305267,CNC1C(C)C([NH3+])C1(OC)C([NH3+])CC(=O)[O-],0,GDB ChEMBL
375182,CC(O)CC1CCCC2CC(N)(C[NH2+]2)C[NH+]1C,0,GDB ChEMBL
217679,CCC(C)(CC(F)(F)F)C1(C)CCCCCC1,0,GDB ChEMBL
101499,CCCC(O)Cc1nc(N)c(OC)c(C=O)n1,0,GDB ChEMBL
179153,NC(=O)NCC1NC1CO,0,GDB ChEMBL
65564,CCC1([NH3+])CCS(=O)(=O)NC1,0,GDB ChEMBL
182882,CC1OC2C(CO)OC1C2Nc1ncns1,0,GDB ChEMBL
368226,CC(=O)C1(C=O)CN(C)CCO1,1,GDB ChEMBL
217662,CC1C=C(C(N)=O)CCC(C#N)CC(=O)O1,0,GDB ChEMBL
312527,CC(C)CC1CCC2CCCC(CC1C)OC2,0,GDB ChEMBL
35457,CC(=O)NCC([NH3+])CCC(N)=[NH2+],0,GDB ChEMBL
345749,C#CCCC1CC(C)COC(CC(C)CC)C1,0,GDB ChEMBL
93780,CC1C=CC(C)C1(C(N)=O)[NH+](C)C,0,GDB ChEMBL
215715,CCC(CC)(NCC(=O)CCOC)C(F)(F)F,1,GDB ChEMBL
398767,CC1C(C[NH3+])C1(C)CCO,0,GDB ChEMBL
353956,[NH3+]CCC1CC(CO)CC(CO)O1,0,GDB ChEMBL
124193,C[NH2+]C(C)(C#CC[NH3+])Cc1cccc(Cl)n1,0,GDB ChEMBL
376689,C#CCC(C)C(C[NH3+])C1CO1,0,GDB ChEMBL
66164,O=C1OC2CCC1(O)COC2,1,GDB ChEMBL
358549,CCC(C(C)O)C1CC([NH3+])CO1,0,GDB ChEMBL
358155,CCC1OC2(C)CC1C(CO)C2CC,0,GDB ChEMBL
386547,CC1C(=O)[N-]S(=O)(=O)C(=N)NC1CO,0,GDB ChEMBL
25261,CCC1CC2=CC(=O)C(C)(C)CC(C)C1N2,0,GDB ChEMBL
76057,CC1CCC2CC1([NH3+])C[NH+]2C,0,GDB ChEMBL
13824,C[NH+]1CCC(C)(O)C1,0,GDB ChEMBL
272532,CC[NH2+]C1CC2C=CC(C=O)C2(C)C1,0,GDB ChEMBL
203746,N=C(c1cccc(Br)c1)N1CCCC1=[NH2+],0,GDB ChEMBL
210379,C#CC1(C#C)CCC[NH+]=C(NC(C)C)N1CC,0,GDB ChEMBL
144569,CCNC(=[NH+]C)OC1COC1,0,GDB ChEMBL
316173,CC1([NH3+])CC2(C#N)C(N)C(=O)[N-]C12CO,0,GDB ChEMBL
55547,CC1(C[NH3+])C(O)C=CC1CC[NH3+],0,GDB ChEMBL
288723,O=CNCC(O)C(=O)NC1C(=O)NCC1C=O,1,GDB ChEMBL
26562,CCC1C(O)C([NH3+])C2C(=O)OC(C)C1C2C[NH3+],0,GDB ChEMBL
177200,CC12CC[NH+]3CC1CC3C2O,0,GDB ChEMBL
315148,COC(=O)C1OC(OC)C(NC=O)C([NH3+])C1O,0,GDB ChEMBL
1478,CN1CCCN=C1c1ccco1,1,GDB ChEMBL
47214,C[NH2+]C1(C)CC1C([NH3+])C(C)O,0,GDB ChEMBL
27794,CC(O)CCc1nocc1CO,1,GDB ChEMBL
259626,CCC1C2[NH2+]CC1C(COC)NC2=[NH2+],0,GDB ChEMBL
119397,Cc1c(Cl)cc(Cl)cc1CCCC1CC1,1,GDB ChEMBL
18373,O=C1CCCN1c1[nH]ccc1O,1,GDB ChEMBL
201466,CNCC(=O)OC(CO)CN1CC1(C)C[NH3+],0,GDB ChEMBL
338268,CCCCCCOCCC#CC(F)(F)F,1,GDB ChEMBL
313353,COC1CC(C)C2C(=NO)CC1C2CO,0,GDB ChEMBL
387254,C#CCOC(=O)COC(=O)CC,1,GDB ChEMBL
302453,C=Cc1cccnc(CC)csc1,0,GDB ChEMBL
42293,CN(C)c1cc(O)n(C)c1NS(C)(=O)=O,1,GDB ChEMBL
260722,C[NH+](C)Cc1sccc1C(O)C#CCC=O,0,GDB ChEMBL
215422,CCC1CC2CC(OC)CCC1C2(C)C,0,GDB ChEMBL
207900,CNC(=O)CNc1ccc([N+](=O)[O-])o1,1,GDB ChEMBL
392750,CC([NH3+])CC1(C[NH+](C)C)CC([NH3+])CCOC1=N,0,GDB ChEMBL
328837,CCC1C=C(C)CC1C(O)CO,1,GDB ChEMBL
396742,COCCc1c(Cl)c([O-])cc(Cl)c1C(N)=[NH2+],1,GDB ChEMBL
317197,CC#Cc1c(CC)ccc(I)c1CC,1,GDB ChEMBL
89371,C#CCC1C#CCCC(C)CC[NH2+]1,0,GDB ChEMBL
97772,CCC1CCCCC(C)C2CCC=CC1C2,0,GDB ChEMBL
8751,CCCC(C(C)[NH2+]C(C)(C)C)C1(O)CC1C,0,GDB ChEMBL
126987,CCc1cc(I)ccc1C#CCC1CC1,1,GDB ChEMBL
356836,CC1C=CC(O)CC2OC2C1,1,GDB ChEMBL
94873,NC(=[NH2+])NCC1OCC2NC2C1O,0,GDB ChEMBL
386635,CCC(CC(CO)CCOC=O)OC(C)C,1,GDB ChEMBL
58999,Oc1c(C#CC2CC2)ccc2c1C=CCO2,1,GDB ChEMBL
350319,COc1n[nH]cc1CCC(=NO)C(C)CO,0,GDB ChEMBL
281053,C#CC1=CC(=O)CCCC=C1C(C)(C)CO,0,GDB ChEMBL
180808,CC1C=CCc2cccc(F)c2N1,1,GDB ChEMBL
284280,CC1OCOC(CO)CC1=O,1,GDB ChEMBL
107007,C=C(CO)CC1CC[NH+](CCO)C1,0,GDB ChEMBL
306342,CCC1c2onc(C)c2CC2C1CN2C=O,0,GDB ChEMBL
34903,N#CCC1OC(=O)C(O)C1N,1,GDB ChEMBL
115736,C#CC1C(CC)[NH+](C2(C)CCCC2)CCN1C,0,GDB ChEMBL
249422,CC#CC(CC(C)[NH3+])C(O)CC,0,GDB ChEMBL
271567,C#CC(C)[NH+]1CC2C=CC(C2)C1,0,GDB ChEMBL
93781,C=Cc1c(C)c(CC)n(CC)c1C,1,GDB ChEMBL
111563,CS(=O)(=O)NC1C(CCO)C1(O)C=O,0,GDB ChEMBL
127032,CCC1CCC[NH2+]C2(CCC1)CC2,0,GDB ChEMBL
115265,C#Cc1c(F)cc(C[NH2+]C)c(CC(C)C)c1F,0,GDB ChEMBL
38740,CC1(CCC2CC(O)C2)C=CC(=O)NC1=O,0,GDB ChEMBL
370274,CC1CC[NH2+]C2C3NC(=O)CN(C(C)C3O)C12,0,GDB ChEMBL
3007,CC(=O)N(CC#N)C(=O)OC=N,1,GDB ChEMBL
129562,CCC1CC=C2CC(CC)C(C[NH3+])C2[NH2+]C1,0,GDB ChEMBL
348654,C=CC1(C2C[NH+](C)C2)OCCCO1,0,GDB ChEMBL
358412,Cc1c(N)ccc(Br)c1C1C=CC(C)(C)O1,1,GDB ChEMBL
305178,C#CCCc1cc(CC)c(N)c(C)c1C(C)C,1,GDB ChEMBL
356519,C#CC[NH+](CC)C1(C(C)(C)C)CC1,0,GDB ChEMBL
130645,OCCC1CCCC=CC12CC2,1,GDB ChEMBL
280589,CC1C(C)C1C(CC#N)CCC(F)(F)F,0,GDB ChEMBL
104475,CCC1CCC2C(C(O)C1)N2C=O,0,GDB ChEMBL
374012,CCC(CC#N)(CC#N)CC1(C)CC[NH2+]C1,0,GDB ChEMBL
188497,O=C([O-])CCC(=O)C(CO)=N[O-],0,GDB ChEMBL
338560,O=C1C=CCOC2CC(CO)(C2)N1,1,GDB ChEMBL
215884,COC(=O)C1C(NS(C)(=O)=O)C1(N)C(C)[NH3+],0,GDB ChEMBL
48728,CCS(=O)(=O)N(C)C(=N)C(O)C(=O)NC,0,GDB ChEMBL
337380,CN(C(=O)C#N)c1ccc(F)nc1,1,GDB ChEMBL
271858,C#CC1(OC(C)CC(C)C)C([NH3+])C1CC,0,GDB ChEMBL
68639,C[NH+]=CNC(C)(CO)CC[NH3+],0,GDB ChEMBL
375832,[NH3+]CC#Cc1cnccn1,0,GDB ChEMBL
181542,CC1(CO)COC(=O)CS(=O)(=O)N1,1,GDB ChEMBL
148742,CC(C)c1ccc2c(c1)C(C1CN1)CC2=O,1,GDB ChEMBL
124755,OC1(CC2C=CCCC2)CCC1,1,GDB ChEMBL
288128,N#CC1CCC(O)C(=NO)CC(=O)NC(=N)N1,0,GDB ChEMBL
289967,C1CC(C2CC[NH+]3CC4(CCC23)CC4)C[NH2+]1,0,GDB ChEMBL
82180,CCCC12COC(=O)C1(N)C(O)C(O)C2,0,GDB ChEMBL
375490,C#Cc1c(C(F)(F)F)ccn1C(C)CC,1,GDB ChEMBL
378565,CCCC1(C)C(C)CCC1O,1,GDB ChEMBL
255391,CCC(=[NH2+])NC(C)C(C)=O,0,GDB ChEMBL
47999,CCCC1(CCO)N(C)C1(C)C,0,GDB ChEMBL
234984,CC[NH2+]Cc1cc(N)c2c(c1Cl)NCC2,1,GDB ChEMBL
147207,COc1nc(N(C)C)cn1C(=O)OCC(N)=O,1,GDB ChEMBL
18793,CC1C2C(=O)OCC2(C(=O)[O-])NS1(=O)=O,0,GDB ChEMBL
157439,[NH3+]C1CNC2COC(C1)OC2=O,0,GDB ChEMBL
288958,CCC1C(O)C(O)COC(CO)C1O,0,GDB ChEMBL
137105,CCC1CCC(C(C)C)C1(C)C(F)(F)F,0,GDB ChEMBL
250621,CC(C[NH3+])C1C(C)C2CC1C(C)(CCCO)C2,0,GDB ChEMBL
42595,CNc1nn(C)c2c1CC(C)(C#N)C2,0,GDB ChEMBL
70052,CCCC1(C)C(C)C(C)C2[NH2+]C(C)C(C[NH3+])C21,0,GDB ChEMBL
317323,CN(C)C1CNCC(=O)N2CC(C)(C)N=C12,1,GDB ChEMBL
53890,O=S1(=O)NCc2c(ccc3c2OCO3)O1,1,GDB ChEMBL
119956,C[NH2+]C1(CO)CN(C(C)(CC[NH3+])CC[NH3+])C1,0,GDB ChEMBL
274160,CC([NH3+])(CO)CN1C(=O)C2(C[NH3+])CC([NH3+])C1C2,0,GDB ChEMBL
216508,CC(O)(CNc1c(N)c[nH]c1C#N)CC(N)=O,1,GDB ChEMBL
275468,CC(C)C1[NH2+]CC[NH+](C)C(C)CC(C)C1(C)O,0,GDB ChEMBL
242670,CC1C2CCCC(O)C1CO2,0,GDB ChEMBL
186612,C=C1CC(CC)OC(=N)C[NH+](C)C1,0,GDB ChEMBL
190849,CC(O)CCC1C(O)C2OCC[NH2+]C1C2(C)N,0,GDB ChEMBL
274386,NC1=[NH+]CC2CCCC(O)C([NH3+])C1C2,0,GDB ChEMBL
131686,C[NH2+]C12CC(C)CCC1(CC(N)=O)C2OC,0,GDB ChEMBL
259712,C[NH2+]CC12OC1C(C)CC2[NH2+]C(C)CO,0,GDB ChEMBL
326482,N#CC1CC2C(N)=[NH+]CC2(C(N)=O)N1,0,GDB ChEMBL
155096,CS(=O)(=O)Nc1cc2nc[nH]c2c(=O)cc1N,0,GDB ChEMBL
223277,CCC1(CC)CC(C)C(O)(CC[NH2+]C)CCO1,0,GDB ChEMBL
40368,Cc1cc(OC=N)c(C(N)=O)c(C[NH3+])c1Cl,1,GDB ChEMBL
112852,CC1CC2C3c4ccc(Cl)c(Cl)c4C1C23,0,GDB ChEMBL
130444,CCC#CCOC1C=CCC(C)(C)CC1,1,GDB ChEMBL
175529,N=C(N)N1C(=O)NC(=O)C(O)C1C=O,0,GDB ChEMBL
181367,CC1(C2CC2)CCCc2ccc(Br)cc21,1,GDB ChEMBL
136102,CC(O)C(O)CC(O)C1([NH3+])CNC(=O)C1C[NH3+],0,GDB ChEMBL
290509,CN1CC(=O)NC(C)(C)C2=CC1C1CC21O,0,GDB ChEMBL
43956,CC([NH2+]C1CN2C(C=O)C2S(=O)(=O)C1)C(=O)[O-],0,GDB ChEMBL
332713,CC1CCC2(C)CCC([NH+]2C)C1(C)CO,0,GDB ChEMBL
383812,Brc1ccc(CCC2C3C=CC2C=C3)cc1,1,GDB ChEMBL
11381,N#CC1CCC(O)C2C(=O)COC(=O)C2C1,0,GDB ChEMBL
172763,CC#CCOC(=O)NC(C)C#N,1,GDB ChEMBL
102186,NC(=[NH2+])N1CC(=O)C1CC(N)=O,0,GDB ChEMBL
296597,CCC=CCC1C=CCC1C(C)C,1,GDB ChEMBL
207700,CC#CC1(OC)CCCCC(CC(C)C)C1,1,GDB ChEMBL
284314,CC(C[NH3+])n1nc(N)c(C(N)=[NH2+])c1CO,0,GDB ChEMBL
68488,CCNc1cc(Br)cnc1C1(O)CC(C)C1,1,GDB ChEMBL
330555,Cc1ncn(C)c1COC1CCC1C,1,GDB ChEMBL
208375,CNC1(CO)CNC(C)C(C(N)=[NH2+])C1=O,0,GDB ChEMBL
105969,C#CCCCc1c(Br)ccc2c1C(CC)CO2,1,GDB ChEMBL
372785,CC(=O)OC=Nc1ccc(CC(=O)[O-])nc1O,1,GDB ChEMBL
277609,CC1C(NS(C)(=O)=O)C2(O)C3OC(=O)N1C32,0,GDB ChEMBL
298941,CNC(=O)Nc1c(C(=N)N)n[nH]c1[O-],0,GDB ChEMBL
344257,O=C(C1CC1)C(O)C1CS(=O)(=O)C=CCO1,0,GDB ChEMBL
174295,CCCCC1CC2[NH2+]CC13CC23,0,GDB ChEMBL
50992,O=CNC1C[NH2+]CC(O)CC1O,0,GDB ChEMBL
80339,COC1C(C)OC1CNC(N)=[NH2+],0,GDB ChEMBL
299159,CC1COCC(C(O)CO)C1,1,GDB ChEMBL
17292,C#Cc1c[nH]cc1-c1cccc(F)c1,1,GDB ChEMBL
70042,CCc1c[nH]cc1C(C)(C=O)CCC[NH+](C)C,0,GDB ChEMBL
77294,COCC1[NH2+]CC2CCC3C2C13,0,GDB ChEMBL
381453,Fc1cc(F)c(C2CC2)c(C(F)(F)F)c1F,1,GDB ChEMBL
80231,CC([NH2+]CCC1COC(=O)S1(=O)=O)C(N)=O,0,GDB ChEMBL
263469,[NH3+]C1(C(O)CCO)COC1,1,GDB ChEMBL
66679,CC(O)CC(NC=O)C(N)=[NH2+],0,GDB ChEMBL
120554,N#CC1C2CCC([NH3+])C1N2CC(=O)[O-],0,GDB ChEMBL
201447,CCCC1C2[N-]C(=O)C1(C#N)CC(C)C2OC,0,GDB ChEMBL
43538,CCC([NH3+])(CO)CC1=CCCC1,0,GDB ChEMBL
201350,N#CC(N)C1(C(N)C(N)=O)C(O)C1O,0,GDB ChEMBL
312843,CC(O)C1[NH2+]CC2CC(O)CC2(C)C1N,0,GDB ChEMBL
205959,CC([NH3+])C1OCC([NH3+])(CO)CN(C)CC1C#N,0,GDB ChEMBL
217034,CCCNC=O,1,GDB ChEMBL
34971,CC1C(C(C)(C)O)NC2=NCC(C)(N)C(=O)N21,0,GDB ChEMBL
82155,CC(C)C(C)[NH+](C)CC(O)c1ccco1,0,GDB ChEMBL
174269,C=CCC(C)(C=C)CCCC1CC1,1,GDB ChEMBL
21868,CCCC1C(C)CCCC1C1CC1(C)C,0,GDB ChEMBL
21551,C=CCC1(CCC)CC=C(C#N)C1,1,GDB ChEMBL
376064,[NH3+]C1CC=CC2CC2NC1=O,0,GDB ChEMBL
26849,CN1CC(=N)NC(C(N)=O)C1=O,0,GDB ChEMBL
151115,C#CC1(C)NC1C(CC[NH3+])CC(C)CO,0,GDB ChEMBL
174851,CC([NH3+])CN1C(C)C1C(C)NC(=O)CO,0,GDB ChEMBL
234206,CCC(C)(C)C(=O)C(O)CC(C)=O,1,GDB ChEMBL
297282,CCC1c2cccc(Br)c2C2CC=CC12,0,GDB ChEMBL
259134,COC(=O)C1CC2(O)CC1(C)CC2=NO,0,GDB ChEMBL
185968,C#CC#CC(CC[NH3+])(CC(=O)[O-])C(N)=[NH2+],0,GDB ChEMBL
48735,CCC[NH2+]C1CC1(C)CCC[NH3+],0,GDB ChEMBL
103874,O=CCC1C2CCNC(=O)OCC(O)C1[NH2+]C2,0,GDB ChEMBL
290169,CC#CC1CC(=O)CN=C(CC)N1CCO,0,GDB ChEMBL
366745,CNc1cc(=O)[nH]cc1C12CC(CO1)C2,1,GDB ChEMBL
19367,Cc1c(N)nc([N+](=O)[O-])c2c1C(=O)CO2,1,GDB ChEMBL
118693,CC(C)OCCN1C=CCC(C)(C)CC1=[NH2+],0,GDB ChEMBL
383017,CC12OC(=O)CCC(CO)C(O)C1C2[NH3+],0,GDB ChEMBL
274371,CC1C2CC2(O)C(CO)[NH+]1C,0,GDB ChEMBL
310305,CC1(C(=O)[O-])CC(O)C(=O)C2C(=O)NCC2O1,0,GDB ChEMBL
6868,C#CC1(COC)CCC1C(C)C,0,GDB ChEMBL
386622,CC#CC(CCC(C)C)C(C)=CC,0,GDB ChEMBL
48189,C=CC1CCC=C2CCCC(C)C21,1,GDB ChEMBL
149438,CCCCC1CCC2(C)CC(C[NH2+]C1)[NH2+]2,0,GDB ChEMBL
201391,CCCC1(C2=CCC(CC)CC2)CC1,1,GDB ChEMBL
284320,CS(=O)(=O)[N-]C(=O)C1CNC(C#N)C2CN2C1,0,GDB ChEMBL
247238,Cc1cc2c(c(Cl)c1C)C1(C)CC(C2)C1,0,GDB ChEMBL
144555,CC1CCC2CC2N1C=O,1,GDB ChEMBL
205810,CC1C(O)CC(C(N)=O)=C(CO)C1(C)C,0,GDB ChEMBL
227929,CCC1CCC(C)C(C(C)(C)C)CC1CC,0,GDB ChEMBL
76943,CC1CCC2OC3C=CCC2C1C3,0,GDB ChEMBL
255405,CCCC1CC(CO)(C(OC)C(C)C)NC=[NH+]1,0,GDB ChEMBL
124866,C[NH2+]C1C(C)CN2C(=NCC2C(=O)[O-])OC1C,0,GDB ChEMBL
386512,C[NH2+]CC(O)(CC#N)C(O)CC1CC(C)C1,0,GDB ChEMBL
34718,CC#CC1(OC)CC(C)(C)C1,1,GDB ChEMBL
292683,C[NH2+]CCC1N(C)C1(C#N)CN,0,GDB ChEMBL
35502,C=CC1C(=C)COC(C[NH3+])CC1C,0,GDB ChEMBL
273625,CC1OC(N)=NC(C(N)=O)C(N)C([NH3+])CC1O,0,GDB ChEMBL
379212,C=CC(=O)C=CC(=NCCC)OC,1,GDB ChEMBL
115584,CCC(C)CC1C=CC(CC(C)C)CC1,0,GDB ChEMBL
210990,CCS(=O)(=O)NCCC1OC1(C)CO,1,GDB ChEMBL
5224,CC[NH2+]C1C2CC(O)C1(OC)C(C[NH3+])C2C#N,0,GDB ChEMBL
271324,C[NH2+]CC#CC(C)(N)C(F)(F)F,0,GDB ChEMBL
249627,CNC(=O)n1c(N)nc(C#N)c1C#N,1,GDB ChEMBL
195466,C#CCOC(C)CNC=O,1,GDB ChEMBL
36029,CCC1[NH2+]CC(C)(C#N)C1C(N)=O,0,GDB ChEMBL
340551,CN(CCOC=O)C(=O)C(C)(C)C(N)=[NH2+],0,GDB ChEMBL
130458,N=C(N)NS(=O)(=O)CCC([NH3+])CN,1,GDB ChEMBL
89106,CCC1C2C=CC1C(C[NH3+])(CC#N)C2,0,GDB ChEMBL
136654,NC(=O)NC(=O)C(O)CC([NH3+])C1CC([NH3+])CN1,0,GDB ChEMBL
259657,NC(=O)C1CCCOCC=C1C1OCCO1,1,GDB ChEMBL
148195,CN1C(C(N)=O)C2C3OC3C(O)C2S1(=O)=O,0,GDB ChEMBL
144535,C#CC1CCCC(OC)C1=O,1,GDB ChEMBL
248669,CNC(=O)C1C([NH3+])CC2(O)C(O)C12OC,0,GDB ChEMBL
284682,C#CCCCC1C(C)CC(C)C1(CC)CC[NH3+],0,GDB ChEMBL
112619,C1C[NH2+]CCNCC[NH2+]C1,0,GDB ChEMBL
147860,CC(C)C1CN2C3C[NH2+]CC3C1C2CC#N,0,GDB ChEMBL
221140,COC1C(C)C(C)[NH2+]C12CC2,0,GDB ChEMBL
387097,CCCn1cc(O)cc1C#N,1,GDB ChEMBL
359146,CC1CC([NH3+])C2CC(=O)NC(=O)CC12C,0,GDB ChEMBL
307952,CCCC1(C[NH+](C)C)C(C)OC2C(O)C21,0,GDB ChEMBL
262204,[NH3+]CC(O)C1=CCC(=O)N1,0,GDB ChEMBL
271116,CC1COC(CC2CCCC2(C)C)C1C,0,GDB ChEMBL
305824,C=CCC(COC(CC)CCC)=NO,1,GDB ChEMBL
72023,CC1[NH2+]C(C)(C)C2CCCCC12CCCC[NH3+],0,GDB ChEMBL
207001,CCCCCC1C2C=CC(C)C21,1,GDB ChEMBL
51025,CC[NH+]1CC(C)NC(C#CCNC(C)=[NH2+])C1,0,GDB ChEMBL
174032,CN1CC([NH3+])C2OC2C1CC#N,0,GDB ChEMBL
37299,C#CC(C(C)O)N(C=O)CCCn1nccn1,1,GDB ChEMBL
240797,Cn1ccc2c1C(=O)C=C1CCCCN1C2,0,GDB ChEMBL
345790,CC(n1ccc(N)c1)S(=O)(=O)N(C)CC(N)=O,0,GDB ChEMBL
305321,CC1CC2OC(S(N)(=O)=O)C2C(=O)N1,0,GDB ChEMBL
252329,CCC1CC(C)(C)CCC2CCOCC1OC2,0,GDB ChEMBL
358490,CCC(C)(C)C(=O)OC1C=C(C)C(O)C1O,1,GDB ChEMBL
292309,CC1(O)C(=O)NCCCC=CC(O)C1=NO,0,GDB ChEMBL
248893,COc1cc(NC2C[NH2+]C2)cc(=[NH2+])[nH]1,0,GDB ChEMBL
129554,Cc1onc([O-])c1COC1CCN(C=O)C1,0,GDB ChEMBL
77858,CC12C=Cc3cc(Cl)ccc3CC1CC2,0,GDB ChEMBL
238597,CS(=O)(=O)N1C2CCOC(C(O)CO)C21,0,GDB ChEMBL
109210,O=C1CNC(=O)C(O)C(O)C1,1,GDB ChEMBL
136704,CC(C)C1OCC2(C)CC([NH3+])CCC12,0,GDB ChEMBL
251447,CS(=O)(=O)NC1C(O)C(CC(=O)[O-])C2NC12,0,GDB ChEMBL
368492,CC1CN=C(CC#N)Oc2cncc(c2)NC1,1,GDB ChEMBL
328829,CC(=O)C1NC1CCC(=O)[O-],0,GDB ChEMBL
315139,CCC1C=CC(C)C(C)C[NH2+]1,0,GDB ChEMBL
354445,C#CC1C2CCc3cccc(Cl)c3C12,1,GDB ChEMBL
244318,N#CCC12CNC(C(=O)N1)C(O)C2,0,GDB ChEMBL
350953,Cc1c(F)ccc2c1CCC2C(C)(C)C,1,GDB ChEMBL
77785,CC1(C)C(=O)NC(=O)CN1C(N)=O,1,GDB ChEMBL
30346,CC1C2COC(C2[NH3+])C1NS(C)(=O)=O,0,GDB ChEMBL
348838,CCC(=O)NCCN=c1[nH]nn[nH]1,1,GDB ChEMBL
181560,Cc1cccc2c([nH+]c3c(C)cc(N)n32)c1[O-],0,GDB ChEMBL
313768,CCC1C(=O)C(N(C)C)C(O)(CO)C1=NO,0,GDB ChEMBL
31791,CCC(=O)CC(C)C(C)C#N,1,GDB ChEMBL
124226,N#CC1OC1(CC(O)C[NH3+])CS(N)(=O)=O,0,GDB ChEMBL
50917,CCCC(C(C)C)C12CCC(C)(C[NH2+]1)C2,0,GDB ChEMBL
177075,CCNC(=O)C(C)(O)C1(C[NH3+])OC1C,1,GDB ChEMBL
325233,CCC1=CC=C(C)CC(C)(CCC(C)C)C1,0,GDB ChEMBL
351383,CC(O)CCCC1C(C)CC2CC(=O)C1C2=O,1,GDB ChEMBL
148902,C#CC(C#CCC(N)=O)(CC)C[NH2+]C(C)C,0,GDB ChEMBL
176489,CC([NH3+])COC1C=CC(C)(C)CC1C,1,GDB ChEMBL
140326,CCC12CN(C)CC(C#N)N=C1NC(=O)N2,0,GDB ChEMBL
140838,CCC1OC2CC1(C(N)=O)CO2,1,GDB ChEMBL
105979,CC1CC2C=CC=CCCCC1(C)C2,0,GDB ChEMBL
105957,Cc1c2nn[nH]c2cc2nc(NC(=N)N)oc12,1,GDB ChEMBL
304305,CC1CCC2(C)C(C1)CC(C(C)C)C2C(C)C,0,GDB ChEMBL
182096,CCCC1[NH2+]C(C)C2(OCC)COCC(O)C12,0,GDB ChEMBL
236650,CCCc1cnc2n(c1=O)CCC(C)C2C[NH3+],0,GDB ChEMBL
214024,CC1(CC2CC2)CCCC1CO,1,GDB ChEMBL
375866,CCC1(C)CCC(C(C)COC)C1(CC)CO,0,GDB ChEMBL
274901,CC1CC(O)C(O)C2C3CCC(C3)C12,1,GDB ChEMBL
84899,CC(=O)OCC12CCC1(O)C2,1,GDB ChEMBL
102117,O=C1CN2c3c(CO)cnn3CCC2CO1,0,GDB ChEMBL
297280,NC(COC1CC1)C(=O)NC=O,1,GDB ChEMBL
132731,CC[NH2+]C(CC(C)O)CS(C)(=O)=O,0,GDB ChEMBL
53295,CCC1CCC(C2CCC2)C(CC)C1,1,GDB ChEMBL
312515,C[NH2+]Cc1cc(O)c(C=O)c(CCCOC)c1,0,GDB ChEMBL
8716,CCOC(=O)NC12CN(C)CC1(O)C2O,0,GDB ChEMBL
84276,[NH3+]C1C(=O)OC2C3CCC2C1C3,1,GDB ChEMBL
286150,C#CCC1OCC2COCC1CC(C#N)N2C,0,GDB ChEMBL
207722,CS(=O)(=O)NC(CO)c1cn[nH]c1,1,GDB ChEMBL
44102,C#CC(C)(C=CCCCCC)CC,1,GDB ChEMBL
263423,COC1C(=[NH2+])NCC1C,0,GDB ChEMBL
251443,NC(=[NH2+])C1=CCNc2cc(ncn2)NCC1,0,GDB ChEMBL
119941,CC(C)C1CC2(O)CC[NH2+]C1CC(=O)CC2,0,GDB ChEMBL
245855,CC(O)C1NC(=N)NC(=O)C(O)C1N,0,GDB ChEMBL
159849,Cc1cc2c(F)c(c(C)cccc1O)NCC2,0,GDB ChEMBL
316325,CC1NC1S(=O)(=O)NCC([NH3+])C(=O)[O-],0,GDB ChEMBL
274205,CCCC[NH+]=C(N)c1cncccc[nH]c1O,0,GDB ChEMBL
114822,CCN(C(C)C=O)C(C)CC#N,1,GDB ChEMBL
19378,NS(=O)(=O)CC1C2C(=O)OCC(O)CN12,0,GDB ChEMBL
348409,CC1C=CCC2OC(C)C1C2O,0,GDB ChEMBL
151133,CC(N)(C[NH3+])COCCCC[NH3+],0,GDB ChEMBL
352602,NC(=O)C(CO)OC(=O)Cc1cc(Cl)ncn1,1,GDB ChEMBL
299777,CC1(C)OC2(CNC1=O)CC([NH3+])CO2,0,GDB ChEMBL
280340,CC(O)CC12CC(C)CCC1C(C)C(C#N)C2,0,GDB ChEMBL
202055,NC(=[NH2+])C(C(O)CO)C1COC(N)=N1,0,GDB ChEMBL
397055,CC[NH2+]CC(NC(N)=O)C(N)=O,1,GDB ChEMBL
190286,CC1C2[NH2+]CC3C(CN1C)C32,0,GDB ChEMBL
41124,CCC(CC1(C)CNC1=[NH+]CC(N)=O)[NH2+]C,0,GDB ChEMBL
314165,C[NH2+]CC(O)C(OC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
217160,CS(=O)(=O)[N-]C(=O)C1CC(O)C[NH2+]1,1,GDB ChEMBL
240517,Cn1c(CC(N)CC#N)cc(=O)nc1Cl,0,GDB ChEMBL
235545,CC1(C(O)CC2CC2)C=CCO1,1,GDB ChEMBL
259663,NC(=O)N1C(=O)C(N)C(O)C1CC[NH3+],0,GDB ChEMBL
106610,Cc1ccc(C#CC2CC2)c(C)c1,1,GDB ChEMBL
276290,CN1CC2[NH2+]C(CCO)C(C(=O)[O-])C21,0,GDB ChEMBL
252585,O=C(NCCO)NCc1cnccc1Cl,1,GDB ChEMBL
300549,O=C1OCCc2ccc3c(c21)C=CC3,1,GDB ChEMBL
386688,C=CC1CC=CC2CC(C)CCC12,1,GDB ChEMBL
115414,CCn1c(CC(=O)[O-])cc(=NCC#N)[nH]c1=O,0,GDB ChEMBL
124827,CCN1CCC2(C)NC2C1=O,0,GDB ChEMBL
258688,CCC(C)CC#CC(CC)(CC)CC,1,GDB ChEMBL
121737,N=CN1CCN(C(=O)CC[NH3+])C1=O,1,GDB ChEMBL
155783,Cc1nc(N)c(CCS(N)(=O)=O)c(=O)o1,0,GDB ChEMBL
70796,CNC(=O)C(N)C1NC2C(CO)C2OC1=O,0,GDB ChEMBL
374164,C#CCN(C)CC[NH2+]C1CC1,0,GDB ChEMBL
201129,CNC(=O)C(C)(COC)C1(N)C(C)C1[NH3+],0,GDB ChEMBL
363023,CC1C(O)COS(=O)(=O)N1CC(=O)[O-],0,GDB ChEMBL
53067,Cc1nc(=O)ccncc(C(=O)CO)c(C)[nH]1,0,GDB ChEMBL
143501,COCCC(C)(O)C#N,1,GDB ChEMBL
50973,CCCC(CC)C(=O)CC(C)[NH2+]CCO,0,GDB ChEMBL
194738,CN1C(C#N)CC(C(=O)CO)C2CC21,0,GDB ChEMBL
132444,CC#CC(C)(CC)C1CCC[NH+](C)C1C,0,GDB ChEMBL
38167,CC(C(=O)[O-])C(C)([NH3+])C1CN1,0,GDB ChEMBL
221664,CCC(C)CC(C)(CC1=CCCC1)C(C)C,1,GDB ChEMBL
75063,CC(=O)C(O)C(OCC#N)C(=O)[O-],0,GDB ChEMBL
391749,COC1(C)CCC=C(C#N)C(CCO)C1,0,GDB ChEMBL
186553,NC1=NCC2(O1)C(=O)NC(=O)C(N)C2O,0,GDB ChEMBL
133162,CC1CC2C=CC1CCCC2O,0,GDB ChEMBL
208382,C[NH2+]C(C)C(=O)NC(=O)N1CC(C)S1(=O)=O,0,GDB ChEMBL
385374,C#Cc1c(CCC)c(I)cc(C#N)c1N(C)C,1,GDB ChEMBL
330054,COCC([NH3+])C(C)N(C=O)C=O,0,GDB ChEMBL
388433,CNC1C[NH2+]C(C(C)O)C(C)OC1OCCO,0,GDB ChEMBL
366926,CC[NH+]=C(N)CNS(=O)(=O)CC(=O)[O-],0,GDB ChEMBL
385384,C#CC(C)(O)CCC1(C)CC[NH2+]C(CC[NH3+])C1,0,GDB ChEMBL
270101,CC(C)C1CCC2(C)C(C)CC(C)(C)C2C1,0,GDB ChEMBL
375895,CC1OC2(C)C[NH2+]CC2CC(C[NH3+])C1[NH3+],0,GDB ChEMBL
182241,COC(C)C(c1ccoc1)C(C)C,1,GDB ChEMBL
33289,CC=CC1CCCC(CC)C1[NH2+]C,0,GDB ChEMBL
121095,COC1C(C)CCCC2CCCC21,1,GDB ChEMBL
175907,CC1CC2OCC34[NH2+]CCC3N(C)C(=O)C24N1,0,GDB ChEMBL
143484,COC(=O)N(C(=N)C(O)c1ncc[nH]1)C(C)=O,1,GDB ChEMBL
366577,CCC1C([NH3+])C2C(C)CCC1C2(C)CC,0,GDB ChEMBL
271360,CC(O)CC1=NC(C)C(C)C(C)CCO1,0,GDB ChEMBL
16784,CC1=[NH+]C(C#N)CCC=CC([NH3+])CN1C,0,GDB ChEMBL
28341,CCC1C[NH+]2C(CC(N)=O)C12,0,GDB ChEMBL
147600,CC1CC(=O)NCCC(C[NH3+])C[NH+](C)C1(C)C,0,GDB ChEMBL
376989,CCC(C)C([NH3+])(CC)C1CC[NH2+]C1CC(C)O,0,GDB ChEMBL
15527,CC1=C(CCCC[NH3+])C(C)(C)CC(C)CC1,0,GDB ChEMBL
258026,COC(C)CC(C)C1CCc2ccc(O)cc21,0,GDB ChEMBL
5877,CC(CC[NH2+]C1C(O)C(N)C1(C)N)C(=O)[O-],0,GDB ChEMBL
210281,Cc1nc(CCC(=O)[O-])c(C#N)n1C,0,GDB ChEMBL
168443,CC1C([NH3+])CC([NH3+])(CO)CC1[NH3+],0,GDB ChEMBL
29921,CC(=O)N1C2CNC(C(=O)[O-])C1COC2=O,0,GDB ChEMBL
142399,C[NH2+]CC(O)C(=O)NCCOC=O,1,GDB ChEMBL
119917,CC1CC(O)C(=O)C(C[NH2+]CC(N)=O)O1,0,GDB ChEMBL
30335,CCC(O)(CCO)CCO,1,GDB ChEMBL
362808,CN(C)C(=O)C1(C=O)C(O)C1[NH2+]CCO,0,GDB ChEMBL
112059,NC1CC([NH3+])C1(N)C(=O)NC(=O)CO,0,GDB ChEMBL
666,CCC1C2CCCC(C)C1CCC(C(C)C)C2,0,GDB ChEMBL
150541,COC1CC([NH3+])C(O)CC1(C)OCCO,0,GDB ChEMBL
50881,C[NH2+]CCCC(N)=[NH+]C(C(N)=O)C(N)C(=O)[O-],0,GDB ChEMBL
95498,C=CC(=CC([NH3+])C(=O)[O-])C1COC1,1,GDB ChEMBL
103464,NC(=O)C1NC=[NH+]CCC1N,0,GDB ChEMBL
254853,C#CCCn1cc(C)cc1C#N,1,GDB ChEMBL
301456,CC1CC2(N)C(CO)C2(C(=O)N(C)C)[NH2+]1,0,GDB ChEMBL
244512,CC1C(O)C(O)C([NH3+])C1(C)O,0,GDB ChEMBL
379126,N#Cc1cc2c(cc1C=O)N1CC2C1CO,0,GDB ChEMBL
338100,CC1(C(=O)[O-])C(NC=O)CC2CC21,0,GDB ChEMBL
287050,CC1([NH3+])CC=CC(=O)OCCS(=O)(=O)NC1,0,GDB ChEMBL
118891,CC1=CC2CC1CC(C[NH3+])O2,0,GDB ChEMBL
130596,CC1(C)OC2C(O)CC[NH2+]CC2C1(C)C,0,GDB ChEMBL
207944,C#CC1(C(C)C[NH3+])CCCCCC(=O)N1C=N,0,GDB ChEMBL
372216,O=C1CCn2c(O)nc3nc(O)cc(c32)N1,0,GDB ChEMBL
393552,CNCC1[NH2+]C2C(C)CC1C2O,0,GDB ChEMBL
372190,CC(=O)Nc1c(N)ncoc1=O,0,GDB ChEMBL
81539,CCC[NH2+]C(C)CC(C=NO)(C=NO)C1CO1,0,GDB ChEMBL
332415,CCCC1(CO)CC(C)(C[NH+](C)C)C(=[NH+]C)N1,0,GDB ChEMBL
26585,CC1CCCC2(O)CC1CC2C(C)CO,0,GDB ChEMBL
248199,C[NH+](C)CC1OCC1O,0,GDB ChEMBL
196460,[NH2+]=C1NC2CCC(=O)OC2C1O,0,GDB ChEMBL
132507,C[NH+]1C(C2CO2)CC2C(=O)N(CC#N)CC21,0,GDB ChEMBL
394887,C[NH2+]CCOC1C2OC(=O)C12,0,GDB ChEMBL
101041,CCC1OC(=O)CC2[NH2+]C1CC2C(C#N)C[NH3+],0,GDB ChEMBL
126852,C[NH2+]CCCC1OCC(C=O)NC1=O,0,GDB ChEMBL
193233,CC(=O)NC1CC(C)C2(C)C1N2C,0,GDB ChEMBL
37134,C[NH2+]C(C=O)c1cccc(F)c1,1,GDB ChEMBL
396123,CC[NH2+]C(CC)C1OC(C)CC12CC2,0,GDB ChEMBL
144585,CCC(C)(C1C=CCCC(C)C1)C(C)(C)C,0,GDB ChEMBL
288522,C#CCc1ccc(N(C)C)n1CCC,1,GDB ChEMBL
263540,CC1(C)OCC(O)C1CO,1,GDB ChEMBL
6478,CCC1CCC(C)[NH2+]C1C1(CCC[NH3+])CO1,0,GDB ChEMBL
40041,CC#CC1(O)CC(C(C)[NH2+]C)C(C)C1O,0,GDB ChEMBL
353222,CCC(=O)Nc1noc2c1c(=O)[cH-]n2C,0,GDB ChEMBL
300953,CC(=[NH2+])NCCc1cnc(F)c(CCO)c1N,0,GDB ChEMBL
354370,CNc1cc(C)c(C)c(NC(C)C)c1,1,GDB ChEMBL
9693,CCC1C2OCC1C(C)(C(C)C)CC2O,0,GDB ChEMBL
76747,CC1(C)C[NH+](C2CC2NC=O)C1,0,GDB ChEMBL
361828,CN1CCCC2COCC1C(=O)N2,1,GDB ChEMBL
29942,C#CCC1(C(N)=O)C(=O)C(C)=CC1CC,0,GDB ChEMBL
369660,CC1CN(C)CC#CCC[NH2+]1,0,GDB ChEMBL
296051,N=C(N1CC[NH2+]C(CO)C1)S(N)(=O)=O,0,GDB ChEMBL
193217,COCC1=CCCn2c1nc(C#N)cc2=O,0,GDB ChEMBL
304263,C=C(CC([NH3+])CN(C)C)C1C[NH2+]C1,0,GDB ChEMBL
236629,CC1COC(=O)C(C)(CO)C[NH+]1CCO,0,GDB ChEMBL
50110,CC#CC(C)(O)C(CC)CC(C)C,1,GDB ChEMBL
37165,CCOc1c(NC)nc[nH]c1=O,1,GDB ChEMBL
169491,C#CC(C1C[NH2+]CC1CCCCC)C(C)(C)C,0,GDB ChEMBL
341286,C#CC1C=C(C)CCC1CC(C)CC,0,GDB ChEMBL
217392,CCC1OC2CC1CC2CN(CC=O)C(N)=[NH2+],0,GDB ChEMBL
65920,Cc1nc(C(C)(C)C2C[NH+](C)C2)cs1,0,GDB ChEMBL
259677,COC1CC2NC(C2=NO)C(C)CC1O,0,GDB ChEMBL
111487,COc1cscnc(C2CCC2)ccc1C,0,GDB ChEMBL
47780,CC1CCOCCc2nc(cc(C[NH3+])c2Cl)C1,0,GDB ChEMBL
12820,COC(C#N)C1NC(=[NH2+])NC(CO)C1C,0,GDB ChEMBL
50960,C#Cc1cc(C[NH2+]CCO)cc(F)c1C,0,GDB ChEMBL
156059,CC(O)C1[NH2+]CC2OC(=O)CC21,0,GDB ChEMBL
111517,CN1C2CCC1C1CC=C(CC[NH2+]1)CC2[NH3+],0,GDB ChEMBL
112583,O=CN1C(=O)OCC(CO)C1=O,1,GDB ChEMBL
391714,CC1CC2C3CN(C)C(=O)C3C(=NO)C1[NH+]2C,0,GDB ChEMBL
81603,CC1[NH2+]CCC2C1C2C1CCC[NH2+]1,0,GDB ChEMBL
277426,N#CCCOC1C2CC([NH2+]2)C1O,0,GDB ChEMBL
298090,CCCC1CC2(C)CCC(=O)C(CO1)NC2C,0,GDB ChEMBL
266245,N#CC1(C#N)OC(CCO)C1C(N)=O,0,GDB ChEMBL
19360,CCN1CC(=O)c2cccc(I)c2C1,1,GDB ChEMBL
284829,CN1C(=N)NC(=O)C1C(O)CC#N,1,GDB ChEMBL
365740,CCCC(C)(C)C1CCC2C(C)[NH2+]CC21,0,GDB ChEMBL
38936,CC1C2NC(=O)CC3OC2OC31,0,GDB ChEMBL
305537,C#CC(CC1=CCOCC([NH3+])C1C[NH3+])[NH2+]C,0,GDB ChEMBL
363221,C#CC1CCC2C(O)C1C(C)([NH3+])CN2C,0,GDB ChEMBL
378937,C#Cc1c(O)c2ccccc2c2ccccc12,1,GDB ChEMBL
311661,[NH3+]CC1C2CC(Cn3cccn3)S(=O)(=O)NC12,0,GDB ChEMBL
190037,COCC1NC(=O)OC12CC(OC)C(C)([NH3+])C2,0,GDB ChEMBL
193226,NC(=O)C(O)C(=N[O-])c1nnc(N)cc1Cl,0,GDB ChEMBL
307608,CC[NH+](C)CCC1CC2OCOC12C,0,GDB ChEMBL
174010,CCC1CCC(C)C2CCC=CCC12,0,GDB ChEMBL
378259,C[NH2+]CC(CC[NH3+])CCNc1cc[nH]c1O,0,GDB ChEMBL
66153,C[NH2+]CC(OC)C1C2C(O)CS(=O)(=O)N21,0,GDB ChEMBL
142505,CC(N)C(=O)NC(=O)c1snc(CC[NH3+])c1N,0,GDB ChEMBL
337053,Nc1cc(OCCC(=O)[O-])ns1,1,GDB ChEMBL
255477,NCC1C2CC(C3COCC3N2)[NH+]1CC(=O)[O-],0,GDB ChEMBL
92838,CN(C)CC1=[NH+]CCC2CC([NH3+])C(C2)N1,0,GDB ChEMBL
358433,COc1ccn(C)cc(OC)nc(O)n1,0,GDB ChEMBL
161818,C#CC1C(C)C2CCC[NH+](C)CCC12,0,GDB ChEMBL
179289,CCC(C)C[NH2+]CC(CC=O)CC(C)(O)CO,0,GDB ChEMBL
394284,CC1CC2OCC(O)C(O)C1C2(N)C#N,0,GDB ChEMBL
4782,CC#CC=CC(CCC(N)=O)OC,0,GDB ChEMBL
385635,CCCCC1C(O)C1CNC(N)=[NH2+],0,GDB ChEMBL
148952,CCC(C)CC(C)C1C(C(C)[NH3+])C1(C)C,0,GDB ChEMBL
305239,COC1(C)CC[NH+](C)C2CC(C2)C1,0,GDB ChEMBL
39993,C=CC1CCC(C)(C)C(C(=C)C)C1,1,GDB ChEMBL
160365,C#CC(C)(C#C)CCCCC1C[NH2+]C(CN)C1,0,GDB ChEMBL
89666,CNC(=O)C(CC#N)NC=[NH2+],0,GDB ChEMBL
346873,C#CC1(C)CCC([NH3+])c2cccc(C)c2CO1,0,GDB ChEMBL
307908,CCN1CC(N)(C[NH3+])CN(C)C(=O)NC1=N,0,GDB ChEMBL
144598,CC1=CC2CC1CC(O)C([NH3+])C2C,0,GDB ChEMBL
251873,COC1(C(O)C(O)C(C)C)CNC1=O,0,GDB ChEMBL
96033,CC(C[NH3+])NC(=O)C1C(O)C1O,0,GDB ChEMBL
348482,CNC(C(N)=O)C(C#N)C1CN1C=O,1,GDB ChEMBL
180033,NC(=O)N1CC(O)C2(O)C(=O)OCC12,0,GDB ChEMBL
296276,NC(=O)C(N)c1cccn1CCO,1,GDB ChEMBL
220149,CCC12CNC(=O)C(C)CC1(O)CC2[NH3+],0,GDB ChEMBL
21996,O=C1c2cncc(Cl)c2CC1CCC1CC1,1,GDB ChEMBL
161044,CC1CC2CC3C[NH2+]CCC1C2C3,0,GDB ChEMBL
124877,CCC(C)(C(=O)OC)C1C(=O)CC2CC21,0,GDB ChEMBL
270079,CCC1CC(O)C2C[NH2+]C(CN)C2O1,0,GDB ChEMBL
15579,COC1CC(OC2CCC[NH2+]C2)C1,0,GDB ChEMBL
210407,CCC1C2OCC(O2)C1[NH2+]C,0,GDB ChEMBL
188522,CC1(C)CCCC(O)(C2CC2)C1,1,GDB ChEMBL
193204,CC12C=CCC1CCC2c1ccsc1,1,GDB ChEMBL
280675,[NH3+]C(CC(=O)[O-])C1CN=C(NC=O)N1,0,GDB ChEMBL
284418,C[NH2+]CC1N(C)CC1(C)OC(N)=O,0,GDB ChEMBL
355005,CN(CC#N)C(=O)n1ccc2nc[nH]c(=O)c21,1,GDB ChEMBL
70912,[NH3+]CC(O)C1NC1C(O)CCO,0,GDB ChEMBL
345823,CC1CC2(O)C=CC1(C#N)[N-]C(=O)CC2,0,GDB ChEMBL
173750,CCC(C)(CC)c1cc2ccccc2cc1F,1,GDB ChEMBL
118737,CCC(=O)C1(C(C#N)C(C)C)NC1C(=O)[O-],0,GDB ChEMBL
190357,CCCC(C)C1(CO)CC1C,1,GDB ChEMBL
162548,CCCN=C(C)OCC(C)(C)C(CO)COC,0,GDB ChEMBL
201145,COCC1=CC(=O)C(CO)=CN(C)CC1,0,GDB ChEMBL
255548,CC1C[NH2+]CC2CC1CC2O,0,GDB ChEMBL
43974,CC1C(C#N)C(O)CC2CN21,0,GDB ChEMBL
355403,COCC(O)C1CC2[NH2+]CC(OC)C1C2C[NH3+],0,GDB ChEMBL
44994,NC(=[NH2+])C1N=C(N)COCCNC1=O,0,GDB ChEMBL
17556,CC(O)C1C(=O)C(O)CC(C)N1C,0,GDB ChEMBL
261192,CC1OCC(C(CC[NH3+])c2ccon2)C1O,0,GDB ChEMBL
203579,CC1(C)CC(C#N)CC1=O,1,GDB ChEMBL
222872,N#CCC(CO)NC(=[NH2+])Nc1cnsc1,0,GDB ChEMBL
257986,O=C1CC(O)C(O)C2C(CO)N12,0,GDB ChEMBL
334043,C#Cc1ccc2c(c1Cl)C1CC2C1,1,GDB ChEMBL
190350,CCC1([NH3+])C2OC3C(O)C2OC31,0,GDB ChEMBL
108706,COC(=O)NC1C[NH2+]Cc2c(O)n[nH]c2OC1,0,GDB ChEMBL
51399,NC(N)=[NH+]C1CC(O)C2NC2C(O)C1,0,GDB ChEMBL
341902,CCCCCC#CC#CCC(N)=[NH+]C,0,GDB ChEMBL
196516,COCC(C(CCC[NH3+])NC=[NH2+])C([NH3+])C(N)=O,0,GDB ChEMBL
206808,CCOC1C([NH3+])CC1C(N)=[NH2+],0,GDB ChEMBL
304384,CC1OC(C#N)C1CC(=O)[O-],1,GDB ChEMBL
180958,CC(C#CCCC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
128310,NC(=O)CC1C2OC(=O)C1N1CC21,0,GDB ChEMBL
125545,OCc1c(O)c2ncsc2c2cncnc12,1,GDB ChEMBL
331474,NS(=O)(=O)c1cnc2[nH]ccc2n1,0,GDB ChEMBL
18647,CCC1CC([NH2+]C)CNC(=O)C1CC,0,GDB ChEMBL
21501,COC12C(C)[NH2+]C(C)C1(CC(=O)[O-])C2C,0,GDB ChEMBL
181004,CC1(O)CCC(N=C2CC([NH3+])CCO2)CC1,0,GDB ChEMBL
352821,Cc1sc(CC(=O)C2[NH2+]CCC2C)cc1N,0,GDB ChEMBL
25236,CC#CC12OC1CC([NH3+])C2C(O)C(C)C,0,GDB ChEMBL
320287,CCC1CC(C)C(C)(CC)OC(=O)C1(C)CC,0,GDB ChEMBL
20733,C#CC1C(NC=O)CC(C)C(O)C1C#N,0,GDB ChEMBL
207687,CCC1=CC(O)C(O)C[NH2+]C1,0,GDB ChEMBL
121474,C[NH2+]C(C)CC1C(C#N)CC1C[NH3+],0,GDB ChEMBL
206994,COCc1c(N)ncc2c1CCO2,1,GDB ChEMBL
346981,CC1CCC([NH3+])C2C[NH2+]C1C2,0,GDB ChEMBL
24542,[NH3+]CC1CCC2CC[NH2+]CC2O1,0,GDB ChEMBL
157509,CC(O)CC([NH3+])C(C#N)CS(=O)(=O)[O-],0,GDB ChEMBL
252725,CCC1C=CCC2CC2CC(C)(C)C[NH2+]1,0,GDB ChEMBL
389062,CC1C2OC(=[NH2+])NC(CNS(C)(=O)=O)C12C,0,GDB ChEMBL
385465,CCC1C(C)(O)C(C)C2[NH+](C)CC21OC,0,GDB ChEMBL
176410,C#CCC(CC)C1=CCC(C)CC1,0,GDB ChEMBL
66659,COC12CC1C([NH3+])(C[NH3+])CC2CC(=O)[O-],0,GDB ChEMBL
117345,C#CC1[NH2+]CCC1C(C)(C)C,0,GDB ChEMBL
353952,CC(C1CC(CO)C1O)N(C)C(N)=[NH2+],0,GDB ChEMBL
342643,CC1OC2C(C(=O)[O-])C1C(=O)[N-]S2(=O)=O,0,GDB ChEMBL
76047,CC(=O)OC1CC(O)CCO1,1,GDB ChEMBL
326413,CC(C)[NH2+]C1CC2CC2C1,0,GDB ChEMBL
157733,CN(CC(NC(N)=[NH2+])c1ccoc1)C(=O)CO,0,GDB ChEMBL
296279,CCNC(=O)C12CC(CC)CC(C)(C1)OC2C,0,GDB ChEMBL
109528,C#Cc1ccc(C(CC)CC#N)c(O)c1F,1,GDB ChEMBL
210159,Cc1ccc2c(n1)C1CC1C2C,1,GDB ChEMBL
216151,CC1(C(C[NH3+])OCC[NH3+])OC(=O)CCNC1=[NH2+],0,GDB ChEMBL
170297,C[NH2+]CC1C(O)CC(O)C([NH3+])C1O,0,GDB ChEMBL
255383,CN(C)S(=O)(=O)CCC[NH2+]CC(O)CO,0,GDB ChEMBL
280268,CCC#CCOC(=O)C(O)COC,1,GDB ChEMBL
19369,C#CC1(C(C)C)CC(NCC(F)(F)F)C1,1,GDB ChEMBL
224015,CC(=O)NC(C(=O)[O-])C1(N)C[NH2+]C(CO)C1O,0,GDB ChEMBL
155093,CCC(CC)NC(=N)C(N)=O,1,GDB ChEMBL
262265,CC1C2C3COCC(c4cc(F)ccc43)C12,0,GDB ChEMBL
47777,C#CC(C[NH3+])C(C#C)C[NH+]1C(C)CCC1C,0,GDB ChEMBL
215347,CC1C2CC(C(=O)[O-])[NH2+]C12C,0,GDB ChEMBL
221354,CC(C)CC(C)C1=CCCCC=C1,1,GDB ChEMBL
103422,CCC1=CC2(CCCC1)CCC[NH+]2C,0,GDB ChEMBL
280648,CCC1(C)CC2CC2C1C(C)NC(=O)C[NH3+],0,GDB ChEMBL
126904,C#CC1C(C)(CC)COC1(C)C,0,GDB ChEMBL
254261,CN(C)C1C([NH3+])C1C(=O)[O-],1,GDB ChEMBL
334335,CCCC1CC2CCCC(C)(CC2)C1CC#N,0,GDB ChEMBL
234444,Brc1ccc(CCC2CC=CC2)cc1,1,GDB ChEMBL
3818,[NH3+]Cc1c(CO)oc2ccncc12,0,GDB ChEMBL
77378,CCC1=CC2[NH2+]CC(O)C1C2(C)OC,0,GDB ChEMBL
271795,C#CC(CO)C(CC)[NH+]=C(N)N,0,GDB ChEMBL
51403,CC(=[NH2+])NC1(C)Cc2cnccc2C(C)(O)C1,0,GDB ChEMBL
33565,c1n[nH]c(CC[NH2+]CC2CC2)n1,0,GDB ChEMBL
332478,C#CC(=O)Nc1c(F)cccc1CCO,1,GDB ChEMBL
152584,CC1=C(C2CCOC2)CCC1,0,GDB ChEMBL
234966,CC(O)C#Cc1cnc[nH]1,1,GDB ChEMBL
153353,CC1C2C3CC=CC(C[NH+]1C)C32CO,0,GDB ChEMBL
70124,C[NH2+]C(CO)CN1CCOC(C#N)COC1=[NH2+],0,GDB ChEMBL
16724,CC1CS(=O)(=O)NC1CO,1,GDB ChEMBL
33332,C=C1Cc2cnccc2C(CC)C1,1,GDB ChEMBL
23984,CN(CC[NH3+])c1c(CO)nc(O)n1CC(N)=O,0,GDB ChEMBL
190475,CCC(C#N)C(OC)c1nccn1C,1,GDB ChEMBL
287341,CC(C)(CC[NH3+])OC(=O)C1(NC=[NH2+])COC1,0,GDB ChEMBL
283383,CNC(=O)CC1(C(C)OC)CC([NH2+]C)CC1=O,0,GDB ChEMBL
114384,CC1C(=[NH2+])NC(C(CO)C(O)C[NH3+])C(=O)N1C,0,GDB ChEMBL
291484,C#Cc1c(C)sc2c1CCC2,1,GDB ChEMBL
376951,Cc1ccccsc(C)cc1,0,GDB ChEMBL
362377,CNC(C#N)C1OC(=O)C(O)CNC(=O)C1O,0,GDB ChEMBL
190264,CCCC(C)(CCC)Cc1cccc(Br)c1Br,1,GDB ChEMBL
283231,C#Cc1cc2cc(c1)CCC#CC=CC2,0,GDB ChEMBL
3764,COC(C[NH3+])C1C=CCC1,0,GDB ChEMBL
44655,C#CCCc1[nH]cnc1COC,1,GDB ChEMBL
70948,CC1(C)NS(=O)(=O)C2CC2NC1=O,0,GDB ChEMBL
161960,CC1C=CC2(CC2)c2c(F)cccc21,1,GDB ChEMBL
217714,CCC1(C)C(O)C12C[NH2+]CCO2,0,GDB ChEMBL
228516,CC1=CCC=CCCC1C1CC1,1,GDB ChEMBL
115236,C[NH+]1CC([NH3+])C2CC1(C)C1CC(O)CC21,0,GDB ChEMBL
29222,COC(=O)C1CC(C)C(O)C(S(N)(=O)=O)N1,0,GDB ChEMBL
266202,C#CCc1ccc(F)c(C)c1CC(C)(C)CC,1,GDB ChEMBL
37300,COC1CCC(C[NH3+])S(=O)(=O)NC1,0,GDB ChEMBL
280635,COc1c([NH+]=CN)ccc(C)c1C(F)(F)F,0,GDB ChEMBL
53814,CCCCC(CNc1nc(=O)[nH]c(=N)[nH]1)OC,1,GDB ChEMBL
354734,NC(=O)C([NH3+])C12C3NS(=O)(=O)C1CC(O)C32,0,GDB ChEMBL
174308,COc1c(I)c(C(=O)[O-])c(O)c2nonc12,0,GDB ChEMBL
53313,Nc1cnc(C(C[NH3+])CO)c(N)n1,0,GDB ChEMBL
135802,C[NH2+]C1CC(C)C2(C#N)CC2N(C=N)C1=O,0,GDB ChEMBL
236643,CC([NH3+])C1(OCC(C)(C)O)CC1,0,GDB ChEMBL
48038,C[NH2+]C1C2CC2C(OC(N)=O)C1OC,0,GDB ChEMBL
358434,CC1[NH+]=C(N)C(CO)C(O)C1C,0,GDB ChEMBL
286105,C[NH+]1CC2NCC([NH3+])CCC2CC2CCC1C2,0,GDB ChEMBL
222136,COCC(CC(=O)[O-])(OS(N)(=O)=O)C(N)=[NH2+],0,GDB ChEMBL
286302,CC[NH2+]CC12NC1C(CO)OC(CC)C2=O,0,GDB ChEMBL
222167,CC(C)N=CN(CCO)c1csc(C(N)=O)n1,0,GDB ChEMBL
116648,CCCC1NC=[NH+]CC=C(C[NH+](C)C)C1C,0,GDB ChEMBL
46907,CCCC1(C)CCCCC(C)CC2CCC1C2,0,GDB ChEMBL
304073,CC(=NO)C1CCC(O)C1C(=O)C(N)=O,0,GDB ChEMBL
322840,C=CCC1(C[NH3+])COC1(C)C(N)=O,0,GDB ChEMBL
197086,CCC(C)(OC)C1CCC[NH+](C(C)(C)CO)C1,0,GDB ChEMBL
318394,CC(=N)NC(=O)Nc1ccc(C)c(=O)nc1N,0,GDB ChEMBL
334710,C#CC(=CC[NH+](C)CC)CC(C)C,0,GDB ChEMBL
87095,CC(C)CC1CC2=C(C1)C(C)CC2C,0,GDB ChEMBL
299167,C[NH2+]CCCOCC(=O)[O-],1,GDB ChEMBL
308734,CCCCC12CCC(C)(C)C1C(C)CC(C)C2,0,GDB ChEMBL
34223,OC1CC2CC3CC3CC1[NH2+]2,0,GDB ChEMBL
318027,C#CC1=CN(C)C(=O)C1(CC)CC(C)C,0,GDB ChEMBL
24500,CC(=O)N1c2c(cnc(O)c2C(=O)[O-])CC1C,0,GDB ChEMBL
36004,CC1=CC2CC([NH3+])CC(C)C2C1,0,GDB ChEMBL
210447,C#CCC1CC1CC(C)(O)CC=C,0,GDB ChEMBL
321815,CC1c2c(Cl)cccc2C=CC1C[NH3+],0,GDB ChEMBL
119418,CC1CC[NH+]2C1CN1C(C)CC2C1C,0,GDB ChEMBL
155063,N#CC1(C(=O)[O-])NC(C(N)=O)C1N,0,GDB ChEMBL
132702,C#Cc1cccc(CC(CC)CCCC)c1C,1,GDB ChEMBL
383769,CC1=[NH+]C(C(=O)CC#N)C(CC(=O)[O-])N1,0,GDB ChEMBL
64671,O=C1OC2CC1C=C2CO,0,GDB ChEMBL
290507,N#CC1(CCc2cncs2)CC1,1,GDB ChEMBL
356825,CC(NC(C#N)CCO)S(N)(=O)=O,1,GDB ChEMBL
243798,O=[N+]([O-])c1nn(CCO)cc1C(O)CO,1,GDB ChEMBL
291884,CCC1C2=CC[NH+]1C(C)CCC[NH2+]C21CC1,0,GDB ChEMBL
42228,CC1(C)C(O)C([NH3+])C2CC(C#N)[N-]C(=O)C21,0,GDB ChEMBL
263489,OCCOCC#CCC1CNC=[NH+]1,0,GDB ChEMBL
307865,N#CC(=O)[C-]1CCC(C(=O)[O-])CC1=O,0,GDB ChEMBL
149307,[NH3+]C1COCC2NC(=O)NC2C1O,0,GDB ChEMBL
363819,CCCOCCC#CC(C)CC(O)CO,0,GDB ChEMBL
20096,CC1OCC[NH+]2CC3CCCC(C3)C12,0,GDB ChEMBL
78299,NC(=[NH2+])OC1CC(O)CNC(=O)C([NH3+])C1O,0,GDB ChEMBL
277457,CC1CC(N)C(=O)NC(=O)NC(C(N)=O)C1[NH3+],0,GDB ChEMBL
66725,CC1(O)C[NH2+]CCC2(C#N)NCC(=O)NCC12,0,GDB ChEMBL
127706,C#CCc1ccc(C2(C)CC2)cc1C,1,GDB ChEMBL
51859,CCCC1CN2CC3NC(=O)C2C13,0,GDB ChEMBL
169037,C[NH2+]C1C(C)C=CCC1OC,0,GDB ChEMBL
173843,CC1(O)CNC(CN(CC#N)S(C)(=O)=O)C1=O,1,GDB ChEMBL
244541,COC(=O)C1NC2C([NH3+])C2(N)C1C[NH3+],0,GDB ChEMBL
320795,C#Cc1c(CC(=O)CC)ccc(C(C)C)c1F,1,GDB ChEMBL
244281,c1cc2c(c[nH+]1)CC(CC1CCCOCO1)N2,0,GDB ChEMBL
31032,CC(C#N)CCOC(C)(C)C,1,GDB ChEMBL
312534,CC1CN1C(=O)OC1CC(=O)[N-]S(=O)(=O)C1,0,GDB ChEMBL
279076,CCCCCC1C=CCCCC12CC2(C)C,0,GDB ChEMBL
348621,CCCC1=CC=C(C)C(O)C(C)C1,1,GDB ChEMBL
215371,C[NH2+]CCC1C[NH2+]CCCN1,0,GDB ChEMBL
26405,CCOCc1c[nH]c(C)c1N,1,GDB ChEMBL
124250,N#CC1NC2=[NH+]CC(CC([NH3+])C1O)N2,0,GDB ChEMBL
196469,CCC[NH2+]CC1=CC=CC=C(C)CC1,0,GDB ChEMBL
328921,Cc1cc(F)c(F)c(C(C)C(C)C(C)(C)[NH3+])c1,0,GDB ChEMBL
64291,CC(C)CC1(CC2CCCC2)CC(C)C1,1,GDB ChEMBL
189814,CNC(CC1CCC[NH2+]1)C(C)=O,0,GDB ChEMBL
156796,CC#CCC1CC2NCC1C(C)COC2=O,0,GDB ChEMBL
358900,CC1CC([NH3+])C2OC1C([NH3+])C2O,0,GDB ChEMBL
225237,C#CC[NH2+]C1CCC(C(CC)NC=[NH+]C)C1,0,GDB ChEMBL
392286,CC1CC[NH+](CC=O)CC1C,1,GDB ChEMBL
298048,CCC12CC1C(O)Cc1ccc(F)cc12,1,GDB ChEMBL
230389,NC(=O)c1c(O)c[nH]c1C(=O)[O-],0,GDB ChEMBL
363123,CCC(O)(C=O)COC,1,GDB ChEMBL
288671,C#CC[NH+]1CCCC1(C#C)CCCCC(C)C,0,GDB ChEMBL
372473,COCc1ccc2c(c1)CC(CO)=CC2O,1,GDB ChEMBL
163388,C#CC([NH3+])C1NC(=O)C[NH2+]CC1(N)C(=O)[O-],0,GDB ChEMBL
208289,CC1C[NH+](C)CC2CC(OC1C)C(N)=N2,0,GDB ChEMBL
287357,CC1NC(=O)C2([NH3+])C(O)C12C(=O)[O-],0,GDB ChEMBL
129565,CC1=CC(C[NH3+])C2C(C)C(C#N)CC12C,0,GDB ChEMBL
282236,N#CCS(=O)(=O)C#CC(O)CCC(=O)[O-],0,GDB ChEMBL
38769,CC([NH3+])CC([NH3+])CC1CNC(=O)O1,0,GDB ChEMBL
156554,COC1(C)C(C(N)=O)C1(O)C[NH3+],0,GDB ChEMBL
286823,C#CC(OC(=O)N1CC1)C(CCC[NH3+])OC,0,GDB ChEMBL
337424,CCCC1NS(=O)(=O)CC1CC(C)(C#N)NC,0,GDB ChEMBL
319140,CC#CCC(C)(C)C,1,GDB ChEMBL
111942,N=CNC(=O)C[NH2+]C1COC(CO)CC1CO,0,GDB ChEMBL
230727,CCCC1CCC(O)CC(O)C(C)C([NH3+])CC1,0,GDB ChEMBL
301167,N=C1NC(=O)NC(N)=NC1C1CCCC([NH3+])C1,0,GDB ChEMBL
93466,Ic1cnc2[nH]c3ccccc3c2c1,1,GDB ChEMBL
306288,N#CCCC1OCC(O)C1[NH3+],0,GDB ChEMBL
294752,CCCCC(CCC)CCCC1CCCCC1,1,GDB ChEMBL
220154,C#CC1Cc2c(CC)cc(I)cc2CCC1C,0,GDB ChEMBL
115985,CCc1occ2cc(F)ccc12,1,GDB ChEMBL
227910,CCOCC12CCCCC(C)C1C2(C)O,0,GDB ChEMBL
227963,CC1C=CCCCC[NH2+]C1C,0,GDB ChEMBL
62784,O=C([O-])C1C[NH+]=CNC2CN1C2,0,GDB ChEMBL
278185,CC1=CCC([NH3+])CCC1(C)C,0,GDB ChEMBL
280478,CNC1CC([NH3+])C(O)CC2N=C1OC2COC,0,GDB ChEMBL
398145,C#CC#Cc1cc(CCC)c(Cl)cc1C,1,GDB ChEMBL
222769,CC(C)C1=CCC(CC[NH3+])C1,0,GDB ChEMBL
245843,CC(c1cc(F)cc2nc[nH]c12)C(C)(C)[NH3+],0,GDB ChEMBL
310785,CN(C)c1cc(C#N)c2c(Cl)cncn12,1,GDB ChEMBL
263857,CC1CCCC=CC2(CCCCO2)C1,0,GDB ChEMBL
137075,C=C(C)c1cc(C)c(N)c(Cl)c1Cl,1,GDB ChEMBL
122862,CC(O)C(=O)C(NCC(N)=O)C1(O)COC1,0,GDB ChEMBL
93399,Cc1csc(CCCO)c1O,1,GDB ChEMBL
360808,C1CN2C3CC(O1)C1C3[NH2+]CC12,0,GDB ChEMBL
184482,CCCC1C2=CC(C)CC2CC1OC,0,GDB ChEMBL
75860,CCC1(C)N=COC(=O)CCC1CC[NH3+],0,GDB ChEMBL
316328,CC[NH+]=C(N)C(NC(N)=O)C(CO)CO,0,GDB ChEMBL
142565,CC(C)CN1CC=CCCC#CC1=O,1,GDB ChEMBL
222590,CCc1c(C)n(C)c2ncnn12,1,GDB ChEMBL
392522,CCC1([NH3+])C(C)CC(C#N)C(O)C1C[NH+](C)C,0,GDB ChEMBL
140129,COC1C2NS(=O)(=O)CC1([NH3+])CC2C,0,GDB ChEMBL
189765,[NH3+]C1COC(=O)CC12Cc1c(O)ncnc1O2,0,GDB ChEMBL
97226,CCC1C#CCCCCCCC1C,0,GDB ChEMBL
330901,CNC(=O)c1c(N)ccc(=[NH2+])[nH]c1=N,0,GDB ChEMBL
319145,CCOC1CC(O)C(O)C(=O)O1,1,GDB ChEMBL
314902,N#CC1C2CC[NH2+]CC12C[NH3+],0,GDB ChEMBL
378560,CCC(C)N(C)C(=[NH2+])N1CCC(NCC#N)C1,0,GDB ChEMBL
355337,CCCCCC1C(C)C(=O)OCCN1CC[NH3+],0,GDB ChEMBL
191568,COCCCN(CC(=O)[O-])C(N)=O,1,GDB ChEMBL
115294,CC#CC(=O)N1CC=CC1,1,GDB ChEMBL
217333,CC#Cc1cc(N)cn1CC#N,1,GDB ChEMBL
5309,[NH3+]CCCC#CCC[NH2+]CCO,0,GDB ChEMBL
318161,CN1CC2OCC(NC(N)=[NH2+])(CC(=O)O2)C1,0,GDB ChEMBL
355030,CCC1(C(F)(F)F)CO1,1,GDB ChEMBL
106015,CC1C([NH3+])CC(C(=O)[O-])=CC([NH3+])CC1O,0,GDB ChEMBL
177330,C[NH2+]C(CC[NH3+])(CC1OC1CO)C(=O)[O-],0,GDB ChEMBL
191273,CC(O)c1c(S(N)(=O)=O)ncn1C,1,GDB ChEMBL
316277,C[NH+]1C2CC3C(C#N)CC2CC31,0,GDB ChEMBL
279982,CN=c1cc(C)ccc(=[NH2+])[nH]1,0,GDB ChEMBL
391310,OCCCOC1C(O)C(O)C2OC12,1,GDB ChEMBL
397090,CC12CCN(CC(F)(F)F)CC=C1CO2,1,GDB ChEMBL
140374,C=C(C)C1OC(=O)NC2CC2C1O,1,GDB ChEMBL
249846,CC1=CCCCC2CC(C1)C(C)([NH3+])C2,0,GDB ChEMBL
358483,N#CCCC1C[NH2+]C2CCN(C=CC1=O)C2,0,GDB ChEMBL
94714,NC(=O)C12CC(C1)C(O)(C(=O)[O-])C(=O)N2,0,GDB ChEMBL
29445,CC1=C2CCC(O)C[NH2+]CC2C(=O)N1,0,GDB ChEMBL
293852,CN(C)C(=O)C1C2=NCCCOC(O2)C1(C)N,0,GDB ChEMBL
276089,N#CC(CCc1cnc(N)s1)CC(=O)[O-],0,GDB ChEMBL
338893,CC(=O)CC(O)C(C)c1ccc(CCO)cn1,1,GDB ChEMBL
54832,C[NH2+]C1C2CC(C(=O)O2)C1C(O)c1ccon1,0,GDB ChEMBL
156717,CCCCC(C)C1CCC2CCCC21,1,GDB ChEMBL
279986,CC(=O)Nc1cc(I)oc(=O)c1,1,GDB ChEMBL
312208,COC(CNC=O)C(=O)NC(=O)CC(N)=O,1,GDB ChEMBL
325896,CC(C)C1(C2C[NH2+]CC2C(C)(C)O)CC1,0,GDB ChEMBL
130202,NC(=[NH2+])NCC(=O)OCS(N)(=O)=O,1,GDB ChEMBL
59650,CC(C)CCC1CCC=C1CC(F)(F)F,1,GDB ChEMBL
228448,CC(C)C1=C(C#N)CCC([NH2+]C(C)(C)C)C1,0,GDB ChEMBL
42234,CCC(CC(N)=O)(OC)c1cn(C)cc1OC,1,GDB ChEMBL
190265,NC1(C[NH3+])COC1C([NH3+])CC(=O)[O-],0,GDB ChEMBL
318392,N#Cc1ccnc(C[NH3+])cncnc1,0,GDB ChEMBL
41086,CN(C)C(=[NH2+])c1cc(N)c(CCO)c(C#N)n1,0,GDB ChEMBL
148559,COC(=O)C12CC1C1CN1S(=O)(=O)C2,0,GDB ChEMBL
328934,C=CCC(C)([NH3+])C(O)C(N)C(N)=O,0,GDB ChEMBL
352223,CCc1c(Cl)cc2c(c1OC)CC(=O)C2(C)C,1,GDB ChEMBL
263295,CC(C)C(CC(=O)[O-])C1(C[NH3+])CCC[NH+](C)C1,0,GDB ChEMBL
120351,CC[NH2+]C(C)(C)CC(O)CC1CC1,0,GDB ChEMBL
77313,C[NH2+]C1C(O)CC(CC[NH3+])C([NH3+])C1(C)N,0,GDB ChEMBL
81032,CC12CC[NH+](CC(O)CCC3CN1CCO3)C2,0,GDB ChEMBL
78338,COC(=O)C1(O)CC([NH3+])C1,1,GDB ChEMBL
136691,CC[NH2+]C(C)C1C(OC)OCC1(O)CC[NH3+],0,GDB ChEMBL
348633,Nc1nc(CC2CN=C(C(=O)[O-])N2)cs1,0,GDB ChEMBL
328967,CCC1CC(C)C2CCC(C)(C)CC2C1C,0,GDB ChEMBL
344339,CCCC(C(C)=O)C(C)(CC)C1CC1(C)C,0,GDB ChEMBL
155081,CC#CC1(O)C2CC(CC[NH2+]2)C1C(C)C,0,GDB ChEMBL
379740,CN1C(C(=O)[O-])C1C1CNCC[NH2+]1,0,GDB ChEMBL
263472,C[NH+]1CC2CNCCC(C)(C1)C(=O)N2,0,GDB ChEMBL
278139,CC1C=CC(=O)N1CC1C=CC(C#N)C1O,0,GDB ChEMBL
296404,C=CC(O)C1(C)CC12CCC(=O)O2,0,GDB ChEMBL
210410,C[NH2+]C(C)C(N)C(=O)NC(=O)NC(=O)CN,1,GDB ChEMBL
73277,CC1OCC(N)C2CC3C[NH+]2C31,0,GDB ChEMBL
318802,CC1(S(N)(=O)=O)NC1CC(=O)[O-],0,GDB ChEMBL
126349,Brc1ccc(C2=CCCC#CC=CC2)cc1,0,GDB ChEMBL
318005,CC(=O)NC(C)(C)C(=O)NC=O,1,GDB ChEMBL
358622,CC(CC=O)C(=O)c1c(Br)cccc1Br,1,GDB ChEMBL
314175,c1cc2c(s1)CC1CN2C1,1,GDB ChEMBL
104639,CC1CC(O)C(C)(C(C)C)[NH2+]1,0,GDB ChEMBL
383912,CC(C(=O)[O-])C1OC1C1CN1S(C)(=O)=O,0,GDB ChEMBL
208406,CCCCC1CCC(C)C(CC)C(C(C)C)C1,0,GDB ChEMBL
1990,N#CC1[N-]C(=O)C(=O)CC1O,0,GDB ChEMBL
385963,CC1([NH3+])CNC(=O)CC(CO)C1O,0,GDB ChEMBL
271384,CCCC[NH2+]C(C)C(C)OCC(F)(F)F,1,GDB ChEMBL
76964,Cn1ncc(C(=O)[O-])c1CO,1,GDB ChEMBL
44946,CNC(=[NH2+])N1CC[NH2+]CC1,0,GDB ChEMBL
235164,NC(=O)OC(C[NH3+])CC1(O)CNC1=O,0,GDB ChEMBL
71984,CC1(O)C(C[NH3+])C2[NH2+]C(C(=O)[O-])CC21,0,GDB ChEMBL
330803,O=C(CCO)CCCN1CC1,1,GDB ChEMBL
257990,CNc1c[nH]cncc(NC)c(C)c1,0,GDB ChEMBL
387291,[NH3+]C1CNC(=O)NC2C(O)C2OC1,0,GDB ChEMBL
29474,CC(C)CC(c1ccc(C(C)C)cc1)C(C)C,1,GDB ChEMBL
100687,Cn1ccnc1CC1CCC1(C)CO,0,GDB ChEMBL
249540,CCC(C)(O)CCC(C)C=O,1,GDB ChEMBL
91198,CCC1C=CC[NH+]2CC(C)(C)CC2C1C,0,GDB ChEMBL
383270,CC(C)C(C)C1C=CC(O)CC(=O)C1,0,GDB ChEMBL
309163,COCCNc1cnc(F)nc1F,1,GDB ChEMBL
304871,C#CC12CCCC1C(CCC)[NH2+]C2,0,GDB ChEMBL
385466,C#Cc1c(CC=O)c(C)cc(C(C)C)c1CC,1,GDB ChEMBL
51880,CC1C(C[NH+](C)C)C(=O)CC2(C#N)NC12,0,GDB ChEMBL
61530,C1=CC2(CC2C2CCCC2)c2ccccc21,0,GDB ChEMBL
193750,CNC(=N)N1C(=O)[N-]C(=O)C1C#N,0,GDB ChEMBL
292506,CCCC1CC2C3COC1CC32,1,GDB ChEMBL
367632,CCC(C)C1C(C)CCCC(C(C)C)C1(C)C,0,GDB ChEMBL
62547,CCCCc1c(O)ccc2c1C[NH2+]C2,0,GDB ChEMBL
20137,CC(C([NH3+])CCS(N)(=O)=O)N(C)CC(N)=O,1,GDB ChEMBL
280818,C#Cc1cc2c(cc1N1CCC1=O)OCO2,1,GDB ChEMBL
186606,CCCCc1c(F)c(F)c(C(C)C)c(F)c1F,1,GDB ChEMBL
331139,[NH3+]C1COC(=O)NCC(O)C([NH3+])C1,0,GDB ChEMBL
67618,NC(=O)C1C(=O)OC(C(=O)[O-])C1O,0,GDB ChEMBL
196732,CC12CCCC(CCC3CC3C(O)C1)C2,0,GDB ChEMBL
296046,CC1CC([NH+]=C(N)N)C2OCC1O2,0,GDB ChEMBL
338935,CC1C2COCC(OC(=O)C1C([NH3+])C(=O)[O-])O2,0,GDB ChEMBL
140404,CCCC(C)CCC1(C)CCCC(CC)C1C,0,GDB ChEMBL
277563,COC1CCC12C(=O)NCC2[NH3+],0,GDB ChEMBL
60670,CC1CN(C=O)C2C(C#N)CC1C2(C)O,0,GDB ChEMBL
87045,C[NH2+]C1CCC2(CC2)C1C(C)C,0,GDB ChEMBL
289228,CC(C)C1[NH2+]CCC(C)(C)C1C,0,GDB ChEMBL
300678,C#Cc1ccc(C[NH+]=C(N)C2CCN2)nc1,0,GDB ChEMBL
300975,CC1=CCCC(C#N)C([NH3+])C1,0,GDB ChEMBL
142359,C#CC(CO)(CCCC)CCCC,1,GDB ChEMBL
289989,C#Cc1cc(CC2(C(C)C)CC2)ccn1,1,GDB ChEMBL
24749,O=C(NC1=NCC(C(=O)CCO)C1)C(O)CO,0,GDB ChEMBL
280017,C[NH2+]C1CCCC(O)C1=O,0,GDB ChEMBL
202487,N#CCC(O)C(=O)NCC1(CO)C[NH2+]C1,0,GDB ChEMBL
190227,CCCNS(=O)(=O)Cc1nnn(C)n1,1,GDB ChEMBL
64340,CC1C(=O)NC(CO)C2C(O)C12[NH3+],0,GDB ChEMBL
338623,O=C(CO)OCc1c2c(noc1=O)CCC2,0,GDB ChEMBL
29923,CC1(C)CC(=O)C(CO)COC(=O)CCC[NH2+]1,0,GDB ChEMBL
395626,CCOc1ncc(I)nc1NC(N)=O,1,GDB ChEMBL
34404,CCCNC(=O)CC(C)C(C)C(C)CO,1,GDB ChEMBL
271141,O=C1NCCCOCC2CC2c2c[nH]c1c2,1,GDB ChEMBL
78337,OCc1ccc2c(c1)CC=CC#CC=CC2,0,GDB ChEMBL
175846,CN1CCCS(=O)(=O)Nc2c(cnn2C)C1,1,GDB ChEMBL
189849,CC(C(=O)N(C)C)C1CC[NH2+]C2CC21,0,GDB ChEMBL
228296,CCC1CC2C(C)OC1(CC)C(CC)[NH+]2CC,0,GDB ChEMBL
183490,CCOC1C=CCCC(C)=C1,1,GDB ChEMBL
77818,CC1(CCO)CN1C1CC1,1,GDB ChEMBL
331523,CCC(OC)C(C)(C)CC1CN1CC,1,GDB ChEMBL
227528,CN(CCCN(C)C(C[NH3+])CO)C(=N)NC=O,0,GDB ChEMBL
51846,CC1=CC(C#N)C([NH3+])C1,0,GDB ChEMBL
70788,C[NH+]1C=C(C(=O)[O-])C(C=O)C1,1,GDB ChEMBL
351321,COC1C[NH+]2CCC(C1[NH3+])C2C,0,GDB ChEMBL
323974,O=CC1CC(O)C2OC(=O)C2N1,0,GDB ChEMBL
332466,CC1CN(C)C2CC(O)C3OC32CC(=[NH2+])N1,0,GDB ChEMBL
53670,NC1C2CC(O)CNC(=O)C2NS1(=O)=O,0,GDB ChEMBL
104942,CC(=O)NC1CC2C[NH2+]CC21,0,GDB ChEMBL
217137,C=C(C[NH3+])CC(C)CCOC(C)=O,0,GDB ChEMBL
369878,CCC12CC(C)CNC1C(=O)O2,0,GDB ChEMBL
363127,CCC1(C[NH2+]C)CC(=O)OC2(C1)C(N)C2[NH3+],0,GDB ChEMBL
313369,CC1=CCCC[NH+](C)C2(CC1)CC2C,0,GDB ChEMBL
242601,C#CCC1CC2(CO)C[NH2+]C(CO)C(O2)C1O,0,GDB ChEMBL
355009,CC12[NH2+]CCC3CC1C2CNC3=O,0,GDB ChEMBL
147578,C=CC1CC2(CC2)C(C)[NH+](C)C1C,0,GDB ChEMBL
186561,C#CC(=O)NC1CNC(C#N)C1,1,GDB ChEMBL
322953,CC1CC[NH+]2CCCCC(CC[NH3+])(CC1C)C2,0,GDB ChEMBL
125591,C[NH2+]CC(CO)N1CC12COC(=O)C2,0,GDB ChEMBL
182065,CCc1nc(CC)c(C[NH3+])s1,0,GDB ChEMBL
233425,CCNC(=O)C(N)c1n[nH]cc1[O-],0,GDB ChEMBL
367813,Cc1ccc(C(C)[NH3+])c2c1ccn2C,0,GDB ChEMBL
194522,CC(=O)C1=CC(O)C(C)C1,1,GDB ChEMBL
73801,O=C1Cc2ccc(CCO)cc2C1,1,GDB ChEMBL
35468,CCOCC1(CC[NH3+])CCCC(C)(C)OC1,0,GDB ChEMBL
330123,CC12CC(C(=N)O1)C(CS(N)(=O)=O)CNC2=O,0,GDB ChEMBL
316429,CNC(=[NH2+])C(C)(C)NC(=[NH2+])CCCC[NH+](C)C,0,GDB ChEMBL
321820,CCC[NH2+]CC12CCCC1(CC[NH3+])CCC2,0,GDB ChEMBL
353205,NC(=O)C(=O)CN1CCC(O)C1,1,GDB ChEMBL
23429,CCCC(C)(CC)CC1CC(C#N)C1,1,GDB ChEMBL
76826,CCCC(C)C1=CC(=O)CCC(C)(C)CC1,0,GDB ChEMBL
341878,C#CC1CCN(C(N)=O)C(=O)NC1=O,1,GDB ChEMBL
263537,NC(=[NH2+])NC1C2CC(=O)[N-]S(=O)(=O)C21,0,GDB ChEMBL
59619,CC(=O)NC(=O)c1[n-]nnc1[N+](=O)[O-],0,GDB ChEMBL
255414,CS(=O)(=O)C(O)CC(=O)NCC(=O)[O-],0,GDB ChEMBL
62832,C=C1C([NH2+]CC)C(O)CCC12CC2,0,GDB ChEMBL
59581,CCOCC1[NH2+]CCC12CC2(C)[NH3+],0,GDB ChEMBL
300174,Brc1ccc2c(c1)C=C1C=CCCC12,0,GDB ChEMBL
277791,CC(=O)N1C(=O)N(C(=N)N)C2C([NH3+])C21,0,GDB ChEMBL
265246,NC(=[NH2+])CC1[NH2+]C(C(N)=O)C2CC12,0,GDB ChEMBL
344000,CCCCNC(=[NH2+])CC(C)C#CCC[NH3+],0,GDB ChEMBL
156053,CC1CCC2OC(C)C(O)C2(C(C)C)C1,0,GDB ChEMBL
1056,[NH3+]C1C2OC(=O)NCCOC2C2OC12,0,GDB ChEMBL
221158,C#Cc1cc(C(C)(C)CC#N)n(CC)n1,1,GDB ChEMBL
21872,CCCOC1CC2CC(OC(=O)CC)CC1C2,1,GDB ChEMBL
259450,Cc1c(S(N)(=O)=O)nn2cc([N+](=O)[O-])ccc12,0,GDB ChEMBL
374153,CNC(=[NH2+])NCC(O)CC(O)COC,0,GDB ChEMBL
16490,CC1C(=O)OC(CCC[NH+]=C(N)N)C1=NO,0,GDB ChEMBL
296033,CC1CCCC2(C)CC1C1(CC1C[NH3+])C2,0,GDB ChEMBL
235902,COC1CCC(C)=CCC1(C=O)OC,0,GDB ChEMBL
8718,Nc1c[nH+]c2c(c(=NO)c1)CCCCCC2,0,GDB ChEMBL
330942,COC(=O)N1CC2(O)CCC(CC2CO)C1=O,0,GDB ChEMBL
70080,CC(C)CCCCC(C)(O)CNCC(F)(F)F,1,GDB ChEMBL
104495,Cc1cccccc(CO)cs1,0,GDB ChEMBL
96073,[NH3+]C1C(=O)NC2C(O)C3CCC2C13,0,GDB ChEMBL
22472,CC1c2c[nH]nc2Cc2cccc(Br)c21,0,GDB ChEMBL
316135,CC([NH3+])CN1CCN(C)C1=O,0,GDB ChEMBL
9772,COC1C(C#N)C2CC[NH2+]CC21,0,GDB ChEMBL
34878,N#CCC1OC(=O)C(C(N)=O)C1=NO,0,GDB ChEMBL
208248,CC1(C2CN2CCO)CCOC1,0,GDB ChEMBL
166409,CCCCC(=O)[C-](C(F)(F)F)C(F)(F)F,0,GDB ChEMBL
363832,CC(C[NH3+])C1CC([NH3+])C2COCCN12,0,GDB ChEMBL
129540,CC1C(=O)C(O)CCN1C(N)=O,1,GDB ChEMBL
366049,C=CC1(O)C2C[NH2+]CCC(OC)C21,0,GDB ChEMBL
185297,CC1Cc2ccc(CO)cc2C12OCC2[NH3+],0,GDB ChEMBL
292940,CC(C)(C)C1CC=C2C=CC=CCCCC21,0,GDB ChEMBL
392718,C#CCCCC(C)Oc1cc(C)c(C)nc1Cl,1,GDB ChEMBL
349995,CCC1CC(C)(C)CCCC1(C)CC,0,GDB ChEMBL
318154,CN1C=NCC(O)CC1=O,1,GDB ChEMBL
338285,CCC1(CC(=O)C(F)(F)F)NC(=O)OC1=NC,0,GDB ChEMBL
195476,CC1COC2C1C2(C)CC(=O)[O-],0,GDB ChEMBL
121733,CC1(C)CCC2C[NH+]1C2,0,GDB ChEMBL
288438,COC1CN2C(=O)C([NH3+])C(OC)C2C1C(N)=[NH2+],0,GDB ChEMBL
160356,NC(=[NH2+])NC12C(O)CC(C(=O)[O-])C1(O)C2N,0,GDB ChEMBL
304867,CC(C)(N)C(CC#N)NC(N)=[NH2+],0,GDB ChEMBL
277677,O=C1CC2C(O)C3OC3C(CN1)NS2(=O)=O,0,GDB ChEMBL
61922,CC(C)C12CC1C(=O)OC(C)(C)C[NH2+]2,0,GDB ChEMBL
119385,CCC(C)([NH3+])CC1([NH3+])CC(C#N)[N-]C1=O,0,GDB ChEMBL
315135,C#CC1CC=CC1(C)c1cccnc1,0,GDB ChEMBL
286844,CC(C)C1(C)CC(CCO)C1,1,GDB ChEMBL
120504,NC(=O)N1C2CC(O)C1C1(CN1)C2C(=O)[O-],0,GDB ChEMBL
204786,COC(CO)C(C[NH3+])C(C)[NH3+],0,GDB ChEMBL
95496,CNC(=O)C12CC(C)C([NH2+]C)C1CO2,0,GDB ChEMBL
53324,C#CC#Cc1c(O)ccc2c1CC(C)CC2,1,GDB ChEMBL
21728,C#CC1C2C(C(C)C)CC1C(C)(C)C2O,0,GDB ChEMBL
64068,CCCN(C=NCC(=O)OCCC[NH3+])C(N)=O,0,GDB ChEMBL
375740,CC1CC(C=O)[NH2+]CCC2OC2C1,0,GDB ChEMBL
216557,CNS(=O)(=O)CC1C[NH2+]C2CC(O)CC12N,0,GDB ChEMBL
81547,C#CC(CCCC(C)CC)C(F)(F)F,1,GDB ChEMBL
391630,O=C([O-])C1=CCC2(O)C[NH2+]C1C2,1,GDB ChEMBL
35472,CC1CC#CCC(C)(C)C(=O)CCC1,0,GDB ChEMBL
294794,CN1CC(c2nccs2)N(C=O)C1=N,1,GDB ChEMBL
241120,CCC1([NH3+])C=CC=CCCCC1,0,GDB ChEMBL
394234,CC[NH2+]Cc1c(Br)c(Br)cc2c1C[NH2+]CCC2,0,GDB ChEMBL
246423,CC1CCC(C)([NH2+]CCCO)CCC1(C)C,0,GDB ChEMBL
360960,C=CC1=CCC(C)CC1C(C)OC,0,GDB ChEMBL
308125,CNC(=O)C(C)c1c(N)n[nH]c1C,1,GDB ChEMBL
241142,NC(=O)N1CCN=C(CO)OC1=O,1,GDB ChEMBL
383820,CC(C)C1C(C(=O)[O-])NS1(=O)=O,0,GDB ChEMBL
204446,CCC1C(C)C=CC=CCC1C1CCCC1,0,GDB ChEMBL
349967,CC(O)C(O)C([NH3+])C1CNC(=O)NC1C,0,GDB ChEMBL
11260,Nc1cc2c(c[nH]c(CO)cc1O)CNC2=O,0,GDB ChEMBL
372492,N=C1NCC(CC([NH3+])C(=O)[O-])NC(=O)N1,1,GDB ChEMBL
153715,C[NH2+]C1CCOCCNC1,0,GDB ChEMBL
77261,CC1C(O)CC(C)(O)C2(C(=O)[O-])CC1C[NH2+]2,0,GDB ChEMBL
108157,[NH3+]C12CC(CC(O)C1O)NC2=O,0,GDB ChEMBL
179140,CCCC#CC1[NH2+]CCC1C,0,GDB ChEMBL
295871,C#CC1(C(O)CC)CCC=CC1C(F)(F)F,0,GDB ChEMBL
249871,COC(C)(C)C1C[NH+]=C(N)N1,0,GDB ChEMBL
246765,CC(C)CC12CCCCC(C1)C(C)(C)C2,0,GDB ChEMBL
204381,C[NH2+]CCOc1nc(N)c(C[NH3+])n1C(N)=O,0,GDB ChEMBL
70955,COC(=O)C[NH+]=C(N)C(CCO)NC(N)=O,0,GDB ChEMBL
156489,CC1=CCOCC(C)(C)CCN(C(N)=[NH2+])C1,0,GDB ChEMBL
210940,C#CC1[NH2+]CC1CC(N)=O,1,GDB ChEMBL
78294,C#CC1C(C)CC(C)C1c1ccccc1F,0,GDB ChEMBL
126894,C#CC1=CCOCC(C)(C)C(O)CC1C,0,GDB ChEMBL
157108,C#CC([NH3+])CN(C)C(C)(C#N)CCCC(C)C,0,GDB ChEMBL
97185,CC1CC(c2ncncc2Cl)C2=[NH+]CCN21,0,GDB ChEMBL
233912,NC(C(=O)[O-])C([NH3+])C1C=CCC1,0,GDB ChEMBL
112378,Cc1csc(C#CC(=N)OCC(N)=O)c1,1,GDB ChEMBL
22814,C=C(CO)CC(=C)CCCCCC,1,GDB ChEMBL
234861,Cc1nc2cc(Br)ccc2s1,1,GDB ChEMBL
358229,C#Cc1cc2c(Cl)ccc(C)c2c(C)c1Cl,1,GDB ChEMBL
276144,CC1(O)CC(O)C(C(N)C(N)=[NH2+])N2CC1C2,0,GDB ChEMBL
289991,O=C1C=CCc2ncnn2CCO1,1,GDB ChEMBL
361184,COC1C(C(=O)[O-])COS(=O)(=O)N2C(C)C12,0,GDB ChEMBL
189858,C=CC(=CCC(C)(C)CC)C(C)C,1,GDB ChEMBL
160994,CC([NH3+])(C#CCC[NH3+])CS(N)(=O)=O,0,GDB ChEMBL
292965,CC(O)CC1CC=CC([NH3+])C1,0,GDB ChEMBL
61647,COc1c(CO)ccnc1C#N,1,GDB ChEMBL
127752,NC(N)=[NH+]C1C(O)CC2C[NH2+]C2C1O,0,GDB ChEMBL
62796,CN1C(=O)C2CC([NH3+])C(C2)C1=O,0,GDB ChEMBL
231102,CC(C)(C#CCC[NH3+])C1CCCC1,1,GDB ChEMBL
134809,C#CCC(CCCC)CCNc1c[nH+]cn1C,1,GDB ChEMBL
34409,C#CCCC1=CCCCc2ncsc2CC1,1,GDB ChEMBL
363195,CC1CCC2C(C#N)C2N1C,0,GDB ChEMBL
258230,COCC(=O)CC(C)(C)[NH2+]C1CC1,0,GDB ChEMBL
305274,Nc1ccn(CC2(C[NH3+])CCO2)n1,0,GDB ChEMBL
230500,COC1CC2CC1C(C)(C1CC[NH+]1C)C2,0,GDB ChEMBL
374189,Oc1cnc2cc1C1C[NH2+]C1CCCCN2,0,GDB ChEMBL
294236,COC1C(C#N)CC2(C(C)O)CN(C)C12,0,GDB ChEMBL
89696,CC(=O)NCC1C(=NO)C(=NO)CC1C(=O)[O-],0,GDB ChEMBL
287321,CCC1CCC2CC(C1)CC(C)[NH2+]2,0,GDB ChEMBL
48710,CC1CN=C(N)OCC(=[NH2+])N1,0,GDB ChEMBL
149286,CCCc1ccn(CC(C)(C)C2CC2)c1,1,GDB ChEMBL
91200,C#CCOC(C)C1CC2(CCC2)[NH2+]C1C,0,GDB ChEMBL
64059,C=CCC1CCC(C#N)(CO)C1[NH3+],0,GDB ChEMBL
309779,CNC1=[NH+]C(C(=O)OC)C(C(=O)[O-])[NH+]=C(N)N1,0,GDB ChEMBL
93724,CCC1COCC1N(C)c1csc(C)c1C,1,GDB ChEMBL
263849,CCC[NH2+]C1C(N)C(=O)N(C)C1S(N)(=O)=O,0,GDB ChEMBL
392484,CCC12Cc3nnnn3CC1OC(=O)N2,0,GDB ChEMBL
230394,N#Cc1cc(=O)nc(N)nc1N=C(N)N,0,GDB ChEMBL
302462,CCc1c(F)c(NC)c[nH]c1=NC1(C)CC1,1,GDB ChEMBL
322932,COC1CCCCC(C(C)CCC(C)C)[NH2+]C1,0,GDB ChEMBL
304821,CC1OC(C)C(C2CCCC2)C1C,0,GDB ChEMBL
26789,CC1=CC(C)(C[NH2+]C2CC2)CC1,0,GDB ChEMBL
9701,COCC12CCCCC1(C(C)=O)C(=O)N(C)C2,0,GDB ChEMBL
332342,NC(N)=[NH+]CCN(C=O)CC([NH3+])CO,0,GDB ChEMBL
115609,CC1OCC2(NC(N)=O)C(C([NH3+])CN)CC12,0,GDB ChEMBL
101469,CCC1CC2c3cccc(F)c3CC3C1C23,0,GDB ChEMBL
24768,CCC1=CC2Cn3ncc(C)c3C2C1,0,GDB ChEMBL
263177,CCCC(C[NH3+])N1C(C)C1C(C)C[NH3+],0,GDB ChEMBL
257410,COCC(=O)CCCOS(N)(=O)=O,1,GDB ChEMBL
221712,C[NH2+]C(C)(C)CC(C(C)C)C(C[NH3+])COC=O,0,GDB ChEMBL
156081,CCCC12CCCOC(CC1)C2,1,GDB ChEMBL
279289,CCC(C)C1CC2C(C(=O)[O-])C(C)C2C1=O,0,GDB ChEMBL
363256,CC(C)CCNC(=[NH2+])NC(C)(C=O)C1CC1,0,GDB ChEMBL
299591,CCCc1ccc(I)cc1C(C=O)C1CC1,1,GDB ChEMBL
243932,CNCC1CCC2(CCCC2O)[NH2+]1,1,GDB ChEMBL
141720,CCC1CCCC(C)(CC(F)(F)F)C2CC12,0,GDB ChEMBL
216468,CNC(=O)C(O)C([NH3+])C1C2CCCN21,0,GDB ChEMBL
9994,CCC(c1cccc(I)c1)N1CC=CC1,1,GDB ChEMBL
377308,CCCCc1csc(=O)c(C(C)C)c1Cl,0,GDB ChEMBL
199050,CC(C)OC(C)C1CCCC1C,1,GDB ChEMBL
21553,CC(C)=CC=CCOC(=O)C(C)C,1,GDB ChEMBL
40042,N#CC12CC(O)C(COCCS(=O)(=O)C1)N2,0,GDB ChEMBL
246825,CC(=N)N1C(=O)C=CC#CC=CC1=O,1,GDB ChEMBL
374893,COc1ccc(Cl)c(C(C)(C)C(C)C)c1,1,GDB ChEMBL
308191,CC1Cc2[nH+]ccc(N(C)C)c2C([NH+](C)C)C1,0,GDB ChEMBL
16064,N=C(NC=O)N1CC(O)C1C(N)C(=O)[O-],0,GDB ChEMBL
338109,[NH3+]C1(CC(=O)[O-])CC12C[NH2+]C2,0,GDB ChEMBL
18326,C#CC1NC(=O)C(C)(C)C1C,0,GDB ChEMBL
354050,CCC(C)(C)C(C)C1=CCC(C)CC1,0,GDB ChEMBL
221659,CC[NH2+]CC1CC(C)C([NH3+])CCC1C,0,GDB ChEMBL
109182,CCC[NH2+]CC(C)(O)CC(=O)CO,0,GDB ChEMBL
35699,CC#CCc1nc(C)c(COCC)[nH]1,1,GDB ChEMBL
148387,CCC1C([NH2+]C)CC(O)C2C[NH2+]CCCN21,0,GDB ChEMBL
290273,C#CC1(C#C)CC(CCC[NH3+])CC1C(C)(C)C,0,GDB ChEMBL
18845,C#CC(OCCC)C1C(NC)C1[NH2+]C,0,GDB ChEMBL
308240,CN=CNC(=O)C(C)O,1,GDB ChEMBL
299613,CCc1cc(CO)ccc1C1(O)C[NH2+]C1,0,GDB ChEMBL
343276,CCC(C)C(C)C1C([NH3+])CCCCC2CC21,0,GDB ChEMBL
2085,CC(C)(COC(=O)NC(N)=O)C(O)C(=O)[O-],0,GDB ChEMBL
17650,Cc1ccc(F)c2c1C(C)CC(C(C)C)C2C,0,GDB ChEMBL
190422,CC1CN(CCO)C2C3CCCC([NH3+])C32O1,0,GDB ChEMBL
107026,C=CCCCCNC(=[NH2+])C(O)C=C,0,GDB ChEMBL
249465,CNC1C(=O)[N-]S(=O)(=O)C(C)C1C(N)=[NH2+],0,GDB ChEMBL
132714,[NH2+]=C1NCC2=CC1c1ccccc1OCC2,0,GDB ChEMBL
189890,CC(O)CC(=O)C(=N)[N-]S(C)(=O)=O,0,GDB ChEMBL
117302,CCC1CC2C(C)C=CCC2[NH2+]1,0,GDB ChEMBL
354443,CC(O)C1C2OCC(N)C[NH2+]C(CO2)CN1C,0,GDB ChEMBL
62577,CCC1CCC([NH2+]C)CC2C(C)C2(C[NH3+])C1,0,GDB ChEMBL
47794,CC1=CC2(C#N)CC(C)(CC2O)C(C)CC1,0,GDB ChEMBL
112871,C#CC1CC2C(CC[NH+]2C)C(C)N1,0,GDB ChEMBL
22067,CC1CC2(C)OC2CCN(CC[NH3+])C1C,0,GDB ChEMBL
16038,C#CC1CN(Cc2ccc(C)cc2I)C1,1,GDB ChEMBL
201412,CCC([NH3+])C1(C#N)C(O)CC(O)CNC1CC,0,GDB ChEMBL
171309,CCCc1cc2c(cc1Cl)[NH+]=C(NC)CCO2,0,GDB ChEMBL
338909,CC1(O)C([NH3+])C(O)C[NH2+]C2CC21,0,GDB ChEMBL
66722,CCC(C)C1CC2[NH2+]C1COC2C,0,GDB ChEMBL
255131,CC1C2CCC([NH+]1C)C1(CO)CC2(C)CC1C,0,GDB ChEMBL
111492,COc1cc(O)cc(Br)c1O,1,GDB ChEMBL
77050,COC1C(O)C1n1cnc(C)c1,0,GDB ChEMBL
101881,C1CC1CC1[NH2+]CC2CC21,0,GDB ChEMBL
151175,C#CCCC1(C)CC(C)C2C=C(C)CC21,0,GDB ChEMBL
109192,CC1=CCCCc2cc(F)cc(C)c21,1,GDB ChEMBL
42239,CC1[NH+]=C(N)N(C)C2(C)CC1C[NH+](C)C(C)C2,0,GDB ChEMBL
218788,COCCN(C)c1c(C)c(C)c(Br)c(C)c1C,1,GDB ChEMBL
141940,CN=CNC(=O)CCCC(OC)C(C)=NO,1,GDB ChEMBL
292575,CCC(=N[O-])c1nnn(C)c(=O)c1COC,0,GDB ChEMBL
126622,CCC1CC(C)(C2CCCC=CC2C)C1,0,GDB ChEMBL
6016,C[NH2+]CC1CC(O)C2C([NH2+]C1C)C2(C)C,0,GDB ChEMBL
190253,N#CC(Cc1n[nH]cc1CO)OCC1CC1,0,GDB ChEMBL
169370,N#CCc1cc(C#N)c(C[NH+]=C(N)N)c(I)n1,0,GDB ChEMBL
248916,CC(CO)CC(C)S(N)(=O)=O,0,GDB ChEMBL
190513,C#CC1=CCCC(C)(C)C(CCC)CC1,0,GDB ChEMBL
197208,CC(=O)N1CC1C(C)(C)C(C)([NH3+])C(C)C,0,GDB ChEMBL
17501,COCC12OCC(CC(C)C1O)N(C=N)C2=O,0,GDB ChEMBL
6873,C=CCC1C2CC(C)(C(=O)[O-])[NH2+]C12,0,GDB ChEMBL
275694,CC(C)CC1CC=CCCC[NH2+]1,0,GDB ChEMBL
324080,C[NH2+]C(C)CC1=CNC(=N)NC(=O)CC1C,0,GDB ChEMBL
351303,C#CC(CC(CC)OC)C(CC)CCCC,1,GDB ChEMBL
244347,C#CCC(C#N)C(C)(C#CC)CCCC,0,GDB ChEMBL
206948,CCOC12CN=C(NC(=O)C[NH3+])C1C2C,0,GDB ChEMBL
386670,C[NH+]1CCC2(NCCC[NH3+])CCC2(C)C1,0,GDB ChEMBL
104656,COC1C[NH2+]C23CC1N(C)C2C3O,0,GDB ChEMBL
125638,CCC(C(C)(C)C)C1(C)CCC(C(C)C)CC1,0,GDB ChEMBL
160816,CC(C(=O)OCC#N)C(C)(C)Nc1ccon1,1,GDB ChEMBL
181720,NC(=[NH2+])N1CC(=O)C(CO)C1,0,GDB ChEMBL
177113,CC1=CCC2NC(=O)C(O)C12,0,GDB ChEMBL
84887,CCN1C(=O)NC2CCC2NC1=O,0,GDB ChEMBL
121064,CCC1=CCCC[NH2+]Cc2ccoc2CC1,0,GDB ChEMBL
340489,COC(C=CC(N)C[NH3+])C(C)(C)C,0,GDB ChEMBL
261170,COc1cc2scc(C)c2nc1O,1,GDB ChEMBL
350158,CC(=O)NC1=CC(CO)[NH2+]C1,0,GDB ChEMBL
287001,CC(CC1CC(=O)C(=O)N1)[NH+](C)C,0,GDB ChEMBL
109155,CC1CNC(C(N)=O)C2([NH3+])CC2CC(=O)O1,0,GDB ChEMBL
317304,[NH3+]CC1CC(OCCO)C2(COC2)O1,0,GDB ChEMBL
77394,CCC(C)S(=O)(=O)[N-]C(=O)NC,0,GDB ChEMBL
156789,CCC([NH3+])C1OCCN2CC12,0,GDB ChEMBL
149314,CCC12OC1c1nc(O)ccc1C2O,0,GDB ChEMBL
75863,NC1=CC(=O)OC2CCC1CC2,1,GDB ChEMBL
44565,[NH3+]CC1OC(=O)C2N3C(=O)C([NH3+])CC123,0,GDB ChEMBL
184265,CNC(=O)CC1(OC)CC1(O)CO,0,GDB ChEMBL
37595,CC1CCC2CCCCC(C2)C2CCCC12C,0,GDB ChEMBL
184700,CCOC(=O)[C-](C#N)CC=O,0,GDB ChEMBL
168409,O=C1CCc2nccc(=O)n21,0,GDB ChEMBL
372645,CC(C)CC1CCC(C)CC(C)(C)CC1(C)C,0,GDB ChEMBL
92906,C#CC1COCCC(C)(CC[NH+](C)CCC)N1,0,GDB ChEMBL
78283,CC(=O)N(C)c1c(F)ccsc1=O,1,GDB ChEMBL
289432,COCCC(C#N)([NH+]=C(N)N)C(N)C[NH3+],0,GDB ChEMBL
368223,CNC=[NH+]C1CN(C(C)=O)CC1=O,0,GDB ChEMBL
55544,N#CCCNC(C[NH3+])(CC[NH3+])CC(O)C[NH3+],0,GDB ChEMBL
303914,O=CNCC1(O)CCC1,1,GDB ChEMBL
170132,CC(C)CC(C)C1CC2CCCC(C2)C1(C)O,0,GDB ChEMBL
210145,COC(CCC(N)=O)C1(O)C(=O)CCOC1=O,0,GDB ChEMBL
341344,CC1CC(C)(CC2(C)CCCC2)C(O)C1C,1,GDB ChEMBL
292937,C#CCCC(O)C(C)C=O,1,GDB ChEMBL
374356,Cc1c(C(=O)C(C)C)c(N)c[nH]c1=O,1,GDB ChEMBL
235665,C#CCc1cc(C)c(F)c(CC)n1,1,GDB ChEMBL
204435,N#CC1(N(C(=N)N)C(N)=O)C(O)C1O,1,GDB ChEMBL
241139,C#CC#CCOCCCC,1,GDB ChEMBL
136128,CC1CCCC(C(C)C)C(C)C1,0,GDB ChEMBL
337398,CN1CC(C#N)C2C1C2([NH3+])CCO,0,GDB ChEMBL
117453,C#CC1(C)CC2CCCCCCC2C1,0,GDB ChEMBL
386608,CC1OC(C(=N)N)OCCN2CC1CC2=O,0,GDB ChEMBL
193195,CC1=[NH+]C(C(N)=[NH2+])C(C(=O)[O-])N1,0,GDB ChEMBL
375148,CC1=CCC2CC(O)C(C)C(C)C2C1,0,GDB ChEMBL
156027,CNC(=O)CC1(C#N)NC1(C)CNS(C)(=O)=O,0,GDB ChEMBL
331511,CCCCCC(=O)c1ccsc1OC,1,GDB ChEMBL
318070,CCCCCC1C(C)C=CC1C,0,GDB ChEMBL
77290,CC(C)CC1(CO)CCC(=[NH2+])NC(C)C1N,0,GDB ChEMBL
261185,COC1CC([NH3+])CC2(C)[NH2+]CCC12CCCO,0,GDB ChEMBL
94699,[NH3+]CCC#CCCc1c(F)cccc1F,0,GDB ChEMBL
125613,NC(=O)C(N)C1CC(C(O)CO)[NH2+]1,0,GDB ChEMBL
25211,O=C([O-])CC(Nc1cnn[nH]1)C(=O)[O-],0,GDB ChEMBL
41599,CC12CCNC(=O)NC1C1CCC1(O)C2,0,GDB ChEMBL
162916,CC#CC1(C[NH3+])CC(CO)C1C(C)[NH+](C)C,0,GDB ChEMBL
243396,Cn1nc(C(C#N)(C#N)C(N)=O)nc1N,0,GDB ChEMBL
265524,COC1CC(=O)OC(C[NH3+])C(C(N)C#N)C1[NH3+],0,GDB ChEMBL
9680,CC#CC(O)(CCC)CCCCC,1,GDB ChEMBL
118375,C[NH2+]C(C(O)C(=O)[O-])C1(N)C(O)CC(C)C1C,0,GDB ChEMBL
353579,CCC(C)Nc1cc(C(F)(F)F)c(I)c(O)n1,1,GDB ChEMBL
252910,CC#CCC(CC)CC(C)CC,1,GDB ChEMBL
252733,Clc1cnc2cc(Cl)c(C3CN3)cc2c1,1,GDB ChEMBL
266449,O=C(C1CC=CC1)N1CC1,1,GDB ChEMBL
92895,CC1(C(CC2CC2)NC=O)CO1,1,GDB ChEMBL
53325,CCOCC1CC1C=O,1,GDB ChEMBL
4863,CCC1C2C[NH2+]C3CCC(CO)C312,0,GDB ChEMBL
354331,C=CC(C=O)CCCCCC#CC,1,GDB ChEMBL
233930,C#CC1(CC)C(CC)[NH2+]CCCCC2CC21,0,GDB ChEMBL
101910,CC1OCC(CNc2nn[nH]n2)C1O,1,GDB ChEMBL
323301,CC1NC2CC[NH2+]CC1C(O)C2[NH3+],0,GDB ChEMBL
62050,C=CC1(CCC)CC2CCC(C2)C1,1,GDB ChEMBL
167279,[NH2+]=C1NCc2c1ccc1cc(I)ccc21,0,GDB ChEMBL
331712,C#CC(C)(C[NH2+]C)CC(C)CC1CCC(O)C1,0,GDB ChEMBL
54813,CC1C[NH+]2CCC(C)(C1C#N)C2C,0,GDB ChEMBL
61914,CCOC(=O)NCC([NH3+])C#CCO,1,GDB ChEMBL
303313,CCC1CC(CC(C)CCC[NH2+]C)C[NH+]1CC,0,GDB ChEMBL
103408,COC1CC(C2CC2)Cc2cccc(Br)c21,1,GDB ChEMBL
181574,C#CCCCC1CC2CC1(CC)CC(O)C2C,0,GDB ChEMBL
45728,[NH3+]C1CS(=O)(=O)NC2C(=O)NCC3CC132,0,GDB ChEMBL
31367,CN1C(=O)OC2C3NC(=O)C(C(N)=[NH2+])C321,0,GDB ChEMBL
345494,CN=C(C)NC(=[NH2+])CCOCCCC[NH3+],0,GDB ChEMBL
64625,CCC1=CCC2=CC[NH+](C(C)CC)CCC12,0,GDB ChEMBL
42559,C[NH+]1CCC=C(CC=O)C1,1,GDB ChEMBL
383955,CCc1ncc2c(n1)COC(=O)C1CCN21,1,GDB ChEMBL
230235,O=C1OC2CCCC2[NH2+]CC1O,1,GDB ChEMBL
366607,COCCCC(C)C12CC1[NH+](C)CC2=NO,0,GDB ChEMBL
354809,CCc1ccc(C2CCC2)cc1OC,1,GDB ChEMBL
201991,CNC1CC([NH3+])C(O)C1[NH3+],0,GDB ChEMBL
391824,[NH3+]C1C(=O)NC=CC1O,0,GDB ChEMBL
318096,CCc1cc(Cl)c(C)c(COCC(C)CC)n1,1,GDB ChEMBL
171879,CCC(C)CCC1C(CC)C1(C)C,1,GDB ChEMBL
142924,CC1=CC2(CC1)C[NH+](C)C2,0,GDB ChEMBL
298968,CCC1C=C(C)C(C)CCC12COC2,0,GDB ChEMBL
300569,CCCCCC1CC(C)(O)CC(C)(C)C1CC,0,GDB ChEMBL
331518,COC1CN2C3C=CC2C1C3C,0,GDB ChEMBL
305222,CC(C)NC(=O)N(C)c1ncnnn1,0,GDB ChEMBL
290501,CNC(=O)C#CCC1CNC(=O)CC1(C)C,0,GDB ChEMBL
84583,NC(=[NH2+])COCc1cccnc1O,1,GDB ChEMBL
153694,CCCC([NH2+]C)C1(C)OC(C)C1OC(N)=O,0,GDB ChEMBL
62582,CC(CCC(C)([NH3+])C[NH3+])CC(C)C(C)(C)O,0,GDB ChEMBL
236628,COC1C2CC3[NH2+]CC1C3O2,0,GDB ChEMBL
397939,C#CCCCc1c(N)cc(Br)nc1CC,1,GDB ChEMBL
62829,CC(O)C(C[NH3+])NC(=N)C(=O)[O-],0,GDB ChEMBL
119977,C[NH2+]CCCCN1CC1,1,GDB ChEMBL
217104,CC1CC(Cc2ccco2)(C[NH+](C)C)C1,0,GDB ChEMBL
247584,COc1[nH]nc2c1CC(OC(C)C)C(=O)N2,0,GDB ChEMBL
36051,CNC1(C#N)CC1c1nccc(N)n1,1,GDB ChEMBL
245543,CC#CC1CC2CCCCCC2(O)CC[NH2+]1,0,GDB ChEMBL
359099,Cc1ccc(O)cc1C1CO1,1,GDB ChEMBL
51826,CC(C)C1C2CCC(C2)[NH+]1CC1CN1,0,GDB ChEMBL
109612,CCc1c(COC2CC2)sc(C)c1C,1,GDB ChEMBL
348446,CNC1(CC(C)C2CC(=O)CN2C)C[NH2+]C1,0,GDB ChEMBL
194514,CCOCC1CCC2CC2C1CCO,0,GDB ChEMBL
157058,O=C([O-])c1cc(C(O)CO)n[nH]1,0,GDB ChEMBL
316104,CCOCCC1(C)NC(=[NH2+])OC1C,0,GDB ChEMBL
309655,CC1=CC(CC(C)COC2CC2)CC1=O,0,GDB ChEMBL
77507,CC1=C2Cc3c(F)cc(O)cc3CC2CC1,0,GDB ChEMBL
378125,CCC1(N2C(=O)C(C#N)C2C)CC[NH2+]C1,0,GDB ChEMBL
255960,C#CC1C=C2C=CC[NH+](CCC)C2C1,0,GDB ChEMBL
107696,CC([NH3+])C1(C)OCCC2CC(O)CC21C,0,GDB ChEMBL
55513,CN(C)C(=O)OCCOCC(N)=O,1,GDB ChEMBL
38887,OCC(C1CCCC1c1cccs1)C(F)(F)F,1,GDB ChEMBL
126834,CNC(C[NH3+])C[NH+](C)C1(C)CC(C)OC(C)C1,0,GDB ChEMBL
118821,O=C1CC[NH2+]CC=CC12C1CCCC12,0,GDB ChEMBL
348686,C#CCC1C(CC)CC2CC1C2(C)C,1,GDB ChEMBL
319367,CC1CCCCCCCC2CCCC1(C)C2C,0,GDB ChEMBL
4978,CC(C#N)c1ccn2c1CC(C(=O)[O-])CC2,0,GDB ChEMBL
38180,CC=CC1=CC(CC[NH3+])CCCC1,0,GDB ChEMBL
296061,C#CC(CCC)C1CCC(C)C1(C)CC,0,GDB ChEMBL
55568,O=C1C2CC[NH2+]C3CCC2C1C3,0,GDB ChEMBL
390128,CC1=CCC2CCC1(C)C(C1CC1)C2,0,GDB ChEMBL
227632,CC(C)C12COC(=O)C(CCC(N)=O)(C1)C2,0,GDB ChEMBL
32019,C#CCC(C)(CCCC)C(N)=O,1,GDB ChEMBL
294804,C[NH2+]CC1C2OC(CC(C)N1C)C2O,0,GDB ChEMBL
223284,COCC1OCC(CC(O)C(=O)OC)O1,1,GDB ChEMBL
29783,CNc1c[nH]c2cnc(O)c(C3(O)CC3)c12,0,GDB ChEMBL
207284,C#CCC(CC(C)C)c1cc(I)ccc1C#C,0,GDB ChEMBL
110232,[NH3+]C1CC2CC(O)(CCO2)C1,0,GDB ChEMBL
190349,C[NH2+]C1C(O)C=CC([NH3+])C1C(=O)[O-],0,GDB ChEMBL
120695,CCC1CC1(O)CC(CO)C(C=O)N(C)C,0,GDB ChEMBL
201995,CC(C(=O)[O-])C12C(O)COC1C2[NH3+],0,GDB ChEMBL
359159,CC1C(=O)C(=NO)C(=O)NC1C(=O)[O-],0,GDB ChEMBL
159717,CCC1C2CCC(CO)(C2)C1C(C)C,0,GDB ChEMBL
67597,CCc1ccccc1CCC(C)(O)CO,1,GDB ChEMBL
334623,NC(=[NH2+])Oc1ncc(Cl)cc1OC(=O)CCO,0,GDB ChEMBL
5293,C[NH2+]C(C)(CN)C(C)CC1CCCC1[NH3+],0,GDB ChEMBL
112833,CC(=O)OCC(C)CCC1CC=CCC1,1,GDB ChEMBL
132662,CN1CC#CC(C#N)OC(=O)NC1=N,1,GDB ChEMBL
40890,CC1(O)CC1C(=O)C(=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
265296,O=CC1NC(C=O)C(=O)NC1=O,0,GDB ChEMBL
292187,Cc1cccc(NC(N)=[NH2+])cc(C[NH3+])oc1,0,GDB ChEMBL
121113,CC(C)C1(O)CCC2(COC2)C1CC[NH3+],0,GDB ChEMBL
247582,CC(=N)Nc1oc(C)cc1C1CCOCC1,1,GDB ChEMBL
300010,CC1C(C(N)=O)=CC2CC[NH+]2C1C,0,GDB ChEMBL
109190,O=C1NCC1(O)c1cncs1,1,GDB ChEMBL
7788,CC1NC2CC(OC2=O)S(=O)(=O)[N-]C1=O,0,GDB ChEMBL
310739,CS(=O)(=O)N(CCO)C(=N)C(=O)[O-],0,GDB ChEMBL
317772,CCCC(C=C1C=CCCC1)OC,1,GDB ChEMBL
303929,Cc1ccn2c1CC1(CC(C)C1)C2,0,GDB ChEMBL
169032,C#CC1NC1(CC)COCCO,0,GDB ChEMBL
220163,CC1=CC(C)(C)CCC=CCC1,1,GDB ChEMBL
382150,NC(=O)Cc1nc2cnc(CO)nc2[nH]1,1,GDB ChEMBL
208318,COCC(CO)C1C(O)CC(O)C1O,0,GDB ChEMBL
389454,CC(C)C1C(O)CC(O)C1O,1,GDB ChEMBL
159869,C#Cc1ccc(C(C)C)c(CCCC(C)C)c1,1,GDB ChEMBL
306297,CN1CCn2nc(CCS(N)(=O)=O)cc21,1,GDB ChEMBL
346817,COCCS(=O)(=O)N(C=O)C(C)=O,1,GDB ChEMBL
265261,C#CCC(C)[NH+]=C1NC(CC)CCCCC1C,0,GDB ChEMBL
271592,[NH3+]CC1COC2CC1(O)C2,0,GDB ChEMBL
323203,CN(Cc1cc2ccccc2c(=O)o1)C(N)=O,1,GDB ChEMBL
330097,CCC#CCC(C)(C)CCC(CC)CCO,0,GDB ChEMBL
184530,CCC(C)OC1C(C)CC(C#N)C[NH2+]CC1O,0,GDB ChEMBL
183471,CCC1(C(C)CCCOC)CCC(C#N)CO1,0,GDB ChEMBL
190380,CCCC12CC(CCC1COCC)C2,0,GDB ChEMBL
344403,CC1=CCC#CCCCCC1C(C)C,1,GDB ChEMBL
31041,C#CCN(C(=[NH2+])NC)C1=CC(C)CC1,0,GDB ChEMBL
280003,C#CC(C)c1ccc(Br)c2c1CC(CCC)C2,1,GDB ChEMBL
397936,CCC12CC(CO)[NH+]=C(N)C1C2,0,GDB ChEMBL
177844,CCCC12CCC(C)C([NH2+]C1)C2C(C)O,0,GDB ChEMBL
102298,Cc1ccc2nccc(N)c2n1,1,GDB ChEMBL
41092,O=C1CC2C(O)C3CC(CN23)N1,0,GDB ChEMBL
349491,C[NH+]1CC2CCC(C1)O2,0,GDB ChEMBL
227485,CCC1CC2(C)CCC[NH+]2CC1C(C)(C)C,0,GDB ChEMBL
269365,NC(=[NH2+])N1C(=[NH2+])NCC(N)C1C(N)=O,0,GDB ChEMBL
311018,CCC(C)c1cc[nH]c1C,1,GDB ChEMBL
350651,C#CC1C([NH2+]C)C(OC)C2C[NH2+]C1(CCO)C2,0,GDB ChEMBL
40292,Cc1ccc2c(c1CCC#N)N(C)C(C)(C)C2,1,GDB ChEMBL
109153,CC(=O)NC1CCC2=C1C1CC2C1(C)C,0,GDB ChEMBL
99698,Cc1cc(CCC2CC2)ccc1C(=O)C=O,1,GDB ChEMBL
261357,NC(=O)CN=C1NC(CO)CC(O)C1O,0,GDB ChEMBL
306280,C=CCCCCCCC#CCCC,1,GDB ChEMBL
20534,CC1(C)[NH2+]C2CC(O)C1C2,0,GDB ChEMBL
393910,COC(C)CC1CCC(C2C[NH2+]2)C(CO)O1,0,GDB ChEMBL
18912,COCCC(N)=[NH+]CC(C)C(=O)[O-],0,GDB ChEMBL
212589,N#CCCS(=O)(=O)NC1C[NH2+]CC1N,0,GDB ChEMBL
337093,CC(C)CCC(C(=O)[O-])C1CO1,1,GDB ChEMBL
40924,CCCC1(C(C)(CC)C(C)C(C)=O)CCCC1,0,GDB ChEMBL
392498,C#CC(C#C)C(CC)C1(C)CCCC1C,0,GDB ChEMBL
160000,CCC(CO)C(OC)C1(C)CC1,1,GDB ChEMBL
98538,C#CC(C)(CCCC[NH3+])C1(CC)CC1,0,GDB ChEMBL
136525,CCC(C)(O)C1C(C)C1(C)Cc1ccoc1,0,GDB ChEMBL
157061,N=C1OC2CC(NC(=O)C=C2CC[NH3+])C1O,0,GDB ChEMBL
50934,C[NH2+]CCc1cc(F)cc2c(C)occ12,0,GDB ChEMBL
159753,Cc1nc(C(C)C)cc(F)c1O,1,GDB ChEMBL
21705,[NH3+]C1CC2(O)C(=O)NCC1CC2O,0,GDB ChEMBL
385377,CC1C(CC[NH3+])(C(N)=O)N=C(N)C1(O)C(=O)[O-],0,GDB ChEMBL
29929,Cc1cc([N+](=O)[O-])c(I)c2ncnn12,1,GDB ChEMBL
104394,CC(C)C1CC[NH+]=C(C[NH2+]CCCC=O)N1C,0,GDB ChEMBL
130607,CC(CC(N)=O)C1CC2(C)CC(CO1)C2,0,GDB ChEMBL
386224,CC1CC[NH+](C)Cc2cnc3n2C1C1NC31,0,GDB ChEMBL
9789,CCN1CC1(C)CC(C)C(CO)[NH2+]C,0,GDB ChEMBL
61758,C#CCOC(C)(C)C1(CC)CNC(=O)CC[NH2+]1,0,GDB ChEMBL
214427,C#CCC1CCCC(C)C1C[NH3+],0,GDB ChEMBL
395638,O=CNCC1CCNc2cnc(F)cc2OC1,1,GDB ChEMBL
289242,CN1C2CC([NH3+])C(C2[NH3+])C1C(=O)[O-],0,GDB ChEMBL
357613,CC1=CC[NH+]2CC1CC2C,0,GDB ChEMBL
26318,COCCC1CC2[NH2+]CC3CCC[NH+]3CC12,0,GDB ChEMBL
372751,N#Cc1c[nH]c(C#N)c1C1CCC[NH2+]1,0,GDB ChEMBL
61485,C=CC(C)(C)C(C)[NH+](C)CCC[NH3+],0,GDB ChEMBL
73806,CC#CCCC(C(C)C)C1CC=C(C)CC1,0,GDB ChEMBL
7781,CCc1c(C)nc2c(c1CC1CC1)CC=C2,1,GDB ChEMBL
195573,C#CCC1(OC)C(O)CNC1(C#N)C(C)CC,0,GDB ChEMBL
103398,CCCC1C(C(C)[NH3+])COC(C)C1(C)O,0,GDB ChEMBL
119976,C#CC[NH+]1CCCCCC1C,0,GDB ChEMBL
66664,CN1C(=O)NC2CCCC3C2C31,0,GDB ChEMBL
394355,NC(=O)C1C2NCC([NH3+])C(C(=O)[O-])C21O,0,GDB ChEMBL
64055,N#Cc1c([O-])nn(CC(N)=[NH2+])c(=O)c1N,0,GDB ChEMBL
76039,CC=CC(C)C(C)(CCC)C1CC1,0,GDB ChEMBL
391626,Fc1ccnc2c1CCC1CC=CC21,0,GDB ChEMBL
283976,C[NH2+]CC12C=CC=C(C)C[NH+]1CCCCC2,0,GDB ChEMBL
174697,COC(C(=O)C1=C(CO)NC(C)C1)C1CC1,0,GDB ChEMBL
51073,CC1CCC#CCC[NH+](C)C1,0,GDB ChEMBL
24520,CC1CN=CN(C(=N)Nc2ccon2)C1C[NH3+],0,GDB ChEMBL
70847,CCC1(C[NH3+])CCC=C(C(=O)NC)C2NC21,0,GDB ChEMBL
204532,CCCCCCC(C)C(C)CCCC,1,GDB ChEMBL
216576,COC1(C)OC(C[NH2+]CC(C)CO)CC1=O,1,GDB ChEMBL
366544,C#CCC1C2CC2CC[NH+]1CC,0,GDB ChEMBL
229415,CNC(C(N)=O)C1C2C(C(=O)[O-])N=C(C)N21,0,GDB ChEMBL
297056,NC(=[NH2+])N1CCNC2(CC1)COC2=O,0,GDB ChEMBL
243789,NC(=O)CCC(=O)OC1C([NH3+])C1O,0,GDB ChEMBL
169098,CCC1CCC(C)CC(CC)C1CCC(C)C,0,GDB ChEMBL
382144,C[NH2+]CCC1=CCC(C)C(C)C1,0,GDB ChEMBL
140135,C[NH+]=C(N)C(O)CN(CC(=O)[O-])C(N)=[NH2+],0,GDB ChEMBL
252060,CC(C)c1sccc1C(=O)[O-],0,GDB ChEMBL
203256,NC(=O)C1CC12C(=O)OCC2O,1,GDB ChEMBL
382219,[NH3+]CC1=C2C[NH2+]C(CO)C(O)C[NH2+]C(C1)C2,0,GDB ChEMBL
50919,CCC1(C)CC[NH2+]CC1C(=O)OC,1,GDB ChEMBL
36223,CC1C[NH+]=C(N)C(N)=NC1CC(=O)[O-],0,GDB ChEMBL
136663,N#CC1(O)C(=O)[N-]C(=O)OCC1O,0,GDB ChEMBL
95935,CC(C)(C=O)CCCC1CC1,1,GDB ChEMBL
357660,CC1=C(C=O)CC(C)[NH+](C)C1CO,0,GDB ChEMBL
274375,CCC12CCC(OC)(CC1)C([NH2+]C)C2CO,0,GDB ChEMBL
398988,CC[NH+]1CCC(OCc2noc(C(=N)N)n2)C1,0,GDB ChEMBL
47547,N#CC(C=O)(C(N)=[NH2+])C1OC1C(=O)[O-],0,GDB ChEMBL
136542,COC(C=CCC(=O)[O-])COC=O,1,GDB ChEMBL
142933,CC1CC(O)C2OCC12C(=O)[O-],0,GDB ChEMBL
330490,CC1C=CC(O)(CCO)C1N(C)C(N)=O,1,GDB ChEMBL
120350,CNC(=O)CC(C)N1CC1C1CC1C,1,GDB ChEMBL
124222,CC(C)C1CC2C(CCCC2(C)C)CCC1C,0,GDB ChEMBL
278208,CCCCC(=O)C1C=CC(C(C)C)C1,1,GDB ChEMBL
155056,CCC1=CC(=O)C(C(C)=O)C1,1,GDB ChEMBL
265298,CCC(COCC1=CC[NH2+]C1)[NH2+]C(C)(C)C,0,GDB ChEMBL
221893,CC(C)CC(C)C12CC(C1)NCC2=O,0,GDB ChEMBL
169445,C#CCOC(C)C1CCOC1C,1,GDB ChEMBL
21576,CC1(C)C(CO)[NH2+]CC1(O)C(=O)CO,0,GDB ChEMBL
239336,CC1C[NH+]2CCC(O)C3(C(N)=[NH2+])C1C23,0,GDB ChEMBL
281052,Cc1cc2ccc(C)n2c(Cl)c1CC(C)(C)[NH3+],0,GDB ChEMBL
278121,CCC1CC(=O)OCC=C1C,0,GDB ChEMBL
2998,COC12C3NCC(O)C1OC(=O)C32,0,GDB ChEMBL
259531,C#CC[NH+](C)C(C(C)C)C1(CC)CCC1,0,GDB ChEMBL
204175,CCC1CCCC2CC2C(C)(C)C1,1,GDB ChEMBL
208418,C[NH2+]C(C)C1CCC1C(F)(F)F,0,GDB ChEMBL
282214,CCCC1(O)CC(CO)OC(CC)(CO)C1,0,GDB ChEMBL
35671,C#CC1NCC(OC)(C(C)C)C1=O,0,GDB ChEMBL
190115,[NH2+]=C1OC2(CC2)CN1CCO,0,GDB ChEMBL
119961,N=COC1CNC(=O)NC1C(N)=O,0,GDB ChEMBL
25252,CCNC(=O)NC1=CC2CC(C2)OC1,0,GDB ChEMBL
347042,N#CCC1(NC(=O)NC(=O)CCO)CC1,1,GDB ChEMBL
81117,C#Cc1cc(CCCC)c(C)c(C)c1Cl,1,GDB ChEMBL
37604,C=CC(=O)N(CCCO)C1CC1O,1,GDB ChEMBL
266473,CCN1CC(C(C)(C)CCC(C)C)C1C=O,0,GDB ChEMBL
144632,CCCN=C(NC)C(O)C(N)=O,1,GDB ChEMBL
89637,CC12C=CCC1C=CC2c1ccnc(F)c1,1,GDB ChEMBL
31998,Cn1cc(CC(NC=[NH2+])C(O)C#N)cn1,0,GDB ChEMBL
285582,COC1CC2C=CC1(C[NH3+])C(CO)[NH2+]2,0,GDB ChEMBL
379888,NS(=O)(=O)C1CC2COC(=O)N2C1,0,GDB ChEMBL
240473,NC(=O)CC1N2CC3OC3C12CO,0,GDB ChEMBL
383826,CC1NC(=O)C2C(C)C(CCC(C)(C)C)C12,0,GDB ChEMBL
397099,CC(C)CCCC12C[NH2+]CC1CN2CCO,0,GDB ChEMBL
186753,NS(=O)(=O)CC(=[NH2+])N1CCC1C(=O)[O-],0,GDB ChEMBL
109730,N=C(NCc1cncs1)S(N)(=O)=O,1,GDB ChEMBL
120396,NC(=[NH2+])C1C2[NH2+]CC1S(=O)(=O)[N-]C2=O,0,GDB ChEMBL
125599,CN(CC#N)CC(C)(C)C,1,GDB ChEMBL
193745,COCCC(C)C(C)O,1,GDB ChEMBL
392276,C#Cc1cc(Br)c(OC(C)C(C)C)cc1CC,1,GDB ChEMBL
179322,CC[NH2+]C1CCC2C(OCC)CCC(C)(O)C12,0,GDB ChEMBL
330897,[NH3+]C1C(CCO)C1CCOC=O,0,GDB ChEMBL
19371,NC1=[NH+]C(CO)C(c2cccnc2)C1,0,GDB ChEMBL
139783,CC#CC12CC1[NH+](C)CC2CCC,0,GDB ChEMBL
263811,COCCCC1(C#N)C=C(C)NC=[NH+]C1,0,GDB ChEMBL
304130,C[NH2+]CC(C)C([NH3+])COC1C(O)C1C(=O)[O-],0,GDB ChEMBL
65571,CCc1cc(N)c2cc(cccc1CO)NC2,0,GDB ChEMBL
4897,C[NH2+]C1C(C)CCC2CCC3CC3C1C[NH2+]2,0,GDB ChEMBL
288483,CC(CCO)[NH2+]Cc1[nH]nnc1N(C)CC[NH3+],0,GDB ChEMBL
330136,CC1CC(C(N)=O)NC2C([NH3+])C12O,0,GDB ChEMBL
184520,CNC(=[NH+]C)OC1CCCC1COC(=O)CN,0,GDB ChEMBL
96104,CCCC1OC(=N)C(NC(N)=[NH2+])C1(O)C[NH3+],0,GDB ChEMBL
186625,CC12NCCC(NC1=O)C(=O)OCC2C[NH3+],0,GDB ChEMBL
346965,CCC1CC(C)C2CCC(CCO)(C1)O2,0,GDB ChEMBL
134459,CC(CCS(N)(=O)=O)OC=O,1,GDB ChEMBL
44542,N#CC(CC(=O)[N-]C1=NCCO1)=N[O-],0,GDB ChEMBL
120890,CCC(C)C12CCCC(O)C(C)[NH+](C1)C2,0,GDB ChEMBL
120001,CCC1CN(CC(=O)OC)CC2(C)CC1[NH2+]2,0,GDB ChEMBL
369281,CCC1(CC)CC(C)(C)C2C[NH2+]CCC1OC2,0,GDB ChEMBL
40324,CNc1cc(Br)c(NC)nc1S(N)(=O)=O,1,GDB ChEMBL
248896,CCOC(C1C(=O)NCC1[NH3+])S(=O)(=O)[O-],0,GDB ChEMBL
257509,C#CC(=O)N(CCO)C1C([NH3+])CC1(C)CC,0,GDB ChEMBL
36205,C#Cc1cc(Br)c2ccc(C(C)C)cc2c1Br,1,GDB ChEMBL
119697,Cc1noc2cc(C(C)[NH3+])cc(N)c12,0,GDB ChEMBL
142917,CN1CCC=C(C(C)(C)C)CC(=O)C1,0,GDB ChEMBL
170109,Cc1cc(C(C)(C)C(C)C)ccc1Br,1,GDB ChEMBL
57311,Nc1nc(F)nc(N)c1OC1CC1,1,GDB ChEMBL
195326,CCC(=O)OCC1(C)CCC1,1,GDB ChEMBL
281031,C#CC(C)(C#C)CC[NH2+]CCCC[NH2+]C,0,GDB ChEMBL
26854,COCC12C(O)CS(=O)(=O)N1C2C(N)=O,0,GDB ChEMBL
256139,CCCC1(C)C=CCC(C)C1O,0,GDB ChEMBL
190520,C1CCC2N=C(OCC[NH2+]C1)C1OC21,0,GDB ChEMBL
244294,NC1=[NH+]CC(=O)NC2C(O)C2N1,0,GDB ChEMBL
37270,C#CC(C)[NH2+]CCC(=O)[O-],1,GDB ChEMBL
262258,CC(C=O)CC1NC1c1ccc(Br)cc1,0,GDB ChEMBL
244331,[NH3+]C1C(O)C(O)C2NCCOC12,0,GDB ChEMBL
398984,CCCC(CCS(=O)(=O)[O-])(NC=[NH2+])C(=O)[O-],0,GDB ChEMBL
317949,CCN1C(C=O)C2C3C(O)CC1C32,0,GDB ChEMBL
320298,CC(=O)N1CC(NC=[NH2+])C(N)C1=O,0,GDB ChEMBL
189774,Cc1ccnc2c1C(C1=CCOC1)CCC2,0,GDB ChEMBL
202497,CCC1C(C)CC2C(C)=CCCC21,0,GDB ChEMBL
318360,CC(C)[NH2+]CC1CC(=O)CC1CC=O,0,GDB ChEMBL
59593,CN(C=[NH+]CCO)CC(=O)[O-],1,GDB ChEMBL
221936,COC(=O)C1(N)CN=CNC(=O)C1N,0,GDB ChEMBL
267875,CC[NH2+]C1C(O)C(C(N)=O)OC1C(C[NH3+])NC,0,GDB ChEMBL
112832,N#Cc1nc(N)nc(N)c(CO)c1=N,0,GDB ChEMBL
51344,CC1([NH3+])COCC(=O)NC1C(=O)[O-],0,GDB ChEMBL
230491,C#CC[NH+](C)CCC1CCC(C(C#C)[NH2+]C)C1,0,GDB ChEMBL
305223,CC1Cc2cc(Cl)cc3c2C(C1)C1CC31,0,GDB ChEMBL
73827,N=C(N)NC(=O)NCc1cc(=O)cc(Br)o1,1,GDB ChEMBL
372169,CCOC12COC(=O)C=C1C[NH2+]C2C,0,GDB ChEMBL
361636,C#CCCc1nc(C)cc(C(C)C)c1C(C)C,1,GDB ChEMBL
300438,CC1C[NH2+]C(C)C2CC2C(C)C1,0,GDB ChEMBL
171888,C=CC(CC)CC1CCC=C1CO,1,GDB ChEMBL
77027,CCC1C2CC(CCC(C)CCO2)C1(C)CC,0,GDB ChEMBL
1962,Cc1cc(S(N)(=O)=O)c[nH]1,1,GDB ChEMBL
241148,CN1CC2N=C1NC(=O)OCC2[NH3+],0,GDB ChEMBL
188100,C#CCC(CCC)C(C)(CC)CC#CC,0,GDB ChEMBL
44581,COC1OCC(C)NC1C([NH3+])C(C)C,0,GDB ChEMBL
29961,N#CC1(CCS(N)(=O)=O)NCC1N,0,GDB ChEMBL
170456,NC(=O)C1CC[NH+]=C(N)NC(=[NH2+])N1,0,GDB ChEMBL
114407,CCC1CCN(C)CCC#CC(=O)C1,1,GDB ChEMBL
119787,N#CCC1(C[NH3+])OC(=O)COC(=O)C1C(=O)[O-],0,GDB ChEMBL
204389,[NH3+]C1CNC(=O)OC2OC(=O)C(O)C2C1,0,GDB ChEMBL
216606,COC(C[NH3+])Cc1c(Cl)c(N)n[nH]c1=O,0,GDB ChEMBL
207939,N#CC1=CCC(CNC2CC2)[NH2+]CCCC1,0,GDB ChEMBL
141867,CN(CC(=O)[O-])c1cc(O)n(C)c1O,1,GDB ChEMBL
296286,CCOC(C[NH3+])CNC(=O)C1CC1O,0,GDB ChEMBL
67583,CC1C(N2CCC2)C(=O)NC1(C)C=O,1,GDB ChEMBL
170462,CC12CNC(=O)C1=C(C(=O)[O-])C(=O)CC2O,0,GDB ChEMBL
252738,CCC(C)C1CCC(C)(O)C2CC12,1,GDB ChEMBL
300711,CC(=O)NC1C2CC(OC1C)C(N)=[NH+]2,0,GDB ChEMBL
339986,CC(CCc1cc(=O)occ1O)[NH+](C)CCO,0,GDB ChEMBL
18671,CCCCOC(C)CC(CC)(CO)CC=O,0,GDB ChEMBL
47222,CC#CC1COc2nc(C[NH3+])ccc21,0,GDB ChEMBL
280813,CC1(C=O)C=CC2C[NH2+]CCC21,0,GDB ChEMBL
227802,[NH3+]CC(=O)NC1C([NH3+])CC2NS(=O)(=O)C21,0,GDB ChEMBL
151248,C[NH+](C)C1CC=CC2(CCC2)C1,0,GDB ChEMBL
182498,C=CC1C2CCC(C)[NH2+]C(C2)C1C,0,GDB ChEMBL
239370,CCC(O)CCCOCC1(CC(C)[NH3+])CN1,0,GDB ChEMBL
121078,C#CC[NH2+]CC(C)C(C)C,1,GDB ChEMBL
203798,CCCC12CCCC(O)CC1[NH2+]CCC2C,0,GDB ChEMBL
115751,C[NH2+]C(CO)(CCC1CC1)Cc1ccon1,0,GDB ChEMBL
284798,CCC(=O)OCC1C=CC2C(C1)C2(C)C,1,GDB ChEMBL
45937,C#CC(CCC)c1nccc(F)c1CO,0,GDB ChEMBL
208254,CC1C(=O)N(S(C)(=O)=O)C(C)C1[NH3+],0,GDB ChEMBL
175867,NC(=O)C1NC(=O)C(NC(=O)C(=O)CO)C1O,0,GDB ChEMBL
383060,NC(C(=O)[O-])C1([NH3+])C2NC(=O)C(O)C21,0,GDB ChEMBL
5348,CCC1CC(O)(CC(=O)[O-])C(C([NH3+])COC)O1,0,GDB ChEMBL
157073,CCC(CO)(C(=O)NC)S(=O)(=O)[O-],0,GDB ChEMBL
240419,CCC1C(C)CC2C1CC[NH+]2C,0,GDB ChEMBL
1447,CC#CC1(C)C(CC)C1[NH2+]C(C)C(N)=O,0,GDB ChEMBL
283385,O=C1CCC2(CNC(=O)O2)C(=NO)CCN1,0,GDB ChEMBL
169503,C#CCC(OCC#N)C1CC1,1,GDB ChEMBL
147942,C#CC1CC(COC(CC)C(F)(F)F)C1,1,GDB ChEMBL
386176,[NH3+]C1CCCC(C#CCO)C1O,0,GDB ChEMBL
190430,CCC1C2CC[NH+](C)C(C)C1C=C2C1CC1,0,GDB ChEMBL
149409,CNc1cc(Cl)c(C2COC2)nc1N,1,GDB ChEMBL
362978,C=C1CCC=C(C)C(OCC[NH3+])C1,0,GDB ChEMBL
191377,CC(C)C(O)(CO)C(=O)[O-],1,GDB ChEMBL
363815,CC#CCCC1C=CC(=O)C1(C)C,1,GDB ChEMBL
151222,CCCCCc1cncc(C(=O)C(C)C)c1C,1,GDB ChEMBL
235895,COC(=O)C1C(=NO)CC(C)(OC)C1CC#N,0,GDB ChEMBL
51002,CCCCCC1CCCC2CC1(C)C2,0,GDB ChEMBL
277664,CCCCC1CCC2C(C)CC3CC(C)CC132,0,GDB ChEMBL
119228,COc1cc(CC[NH+](C)C)nc(OC)c(=O)n1,0,GDB ChEMBL
391781,[NH3+]CCCC1(CC(O)CCO)CCC1,0,GDB ChEMBL
56668,CNC(=[NH2+])NC(=O)C(=O)[O-],1,GDB ChEMBL
381449,C[NH2+]C(C)C1C[NH2+]C(C(C)C)CCC(C)(C)C1,0,GDB ChEMBL
279071,CCC(C)CC(C#N)OS(N)(=O)=O,1,GDB ChEMBL
333644,CC(C#N)N(C)CC(=O)C(=O)NC(=N)NC=O,1,GDB ChEMBL
190279,COCC(O)C12CCC([NH2+]C1)C2O,0,GDB ChEMBL
258755,[NH3+]CC1CC1NCc1ccon1,0,GDB ChEMBL
261334,CCCOc1cc(Br)ccc1C,1,GDB ChEMBL
198622,CC12COCCN1C2C(CO)C(F)(F)F,0,GDB ChEMBL
107036,C[NH2+]CC1=CCN(C(N)=O)C(=O)C1N,0,GDB ChEMBL
27764,COC1C[NH2+]C2CC(C(=O)N3CCC23)C1O,0,GDB ChEMBL
320752,C=CC(CC=C(C)C[NH3+])NC(N)=O,0,GDB ChEMBL
382996,CC1CCC(OCC2CC(N)C(=O)O2)C1O,1,GDB ChEMBL
223304,C[NH2+]C(CC(CO)OC)C(C)(C)[NH+]=CN,0,GDB ChEMBL
210709,C[NH+]1CC2CC=CCC(=O)C21,0,GDB ChEMBL
264939,Clc1cccc2c1CC(C1CC1)C2,1,GDB ChEMBL
331746,CCCC1(C)C2CC1C(O)C2[NH3+],0,GDB ChEMBL
50351,CCc1ccoc1CCC#CC(C)C,1,GDB ChEMBL
274414,CC([NH3+])C1(N)C(=O)[N-]C(C#N)C([NH3+])C1C(=O)[O-],0,GDB ChEMBL
305140,COC(C#N)(CN)C(C)O,0,GDB ChEMBL
115287,CCC#CC1(CC(C)CC)CCCC1,1,GDB ChEMBL
26560,CCC(=O)NC(=N)C(C)(N)C([NH3+])C(O)CC,0,GDB ChEMBL
369888,CNC(=O)CC(C)C(O)C=O,1,GDB ChEMBL
43909,CC1OC(C)(C)C(C)C(C#N)C([NH3+])C1O,0,GDB ChEMBL
378148,CNS(=O)(=O)C1C(OC)CC(O)C1[NH3+],0,GDB ChEMBL
273405,CCC(C)C1CC(C)C2C=C(C)CC21C,0,GDB ChEMBL
186647,C[NH2+]CCCN=CNC(=O)CC=O,0,GDB ChEMBL
70302,C[NH2+]CC(=O)NC1COCC1C,1,GDB ChEMBL
245871,CC1OC(=O)N2C3C2(CCS3(=O)=O)C1C(=O)[O-],0,GDB ChEMBL
81761,CCCC([NH3+])CC1CN1CC,0,GDB ChEMBL
53687,CC1(C)OC2(C(=O)[O-])CC2C(C)(CO)C1[NH3+],0,GDB ChEMBL
334622,CC1CC2CS(=O)(=O)NC2CC1NC(N)=O,1,GDB ChEMBL
353240,COC12CC(O)C(C(=O)O1)C([NH3+])C2O,0,GDB ChEMBL
391586,CCCC(O)CC12C=CC(C1)C2,0,GDB ChEMBL
120895,CCC1C(CC(C)(C)C)C(C)C2CCC21,0,GDB ChEMBL
47770,CC1(CO)CC2OCCC1C2C1([NH3+])CC1,0,GDB ChEMBL
18861,Nc1oc2ccncc2c1CO,1,GDB ChEMBL
34788,CN1C=CC2[NH2+]CCOC(C)(C)C2C1=O,0,GDB ChEMBL
210275,[NH3+]CC1CC([NH3+])C2C(O)C(=O)N12,0,GDB ChEMBL
257964,CCCC(C)(Cc1cccnc1)C(CC)C[NH3+],0,GDB ChEMBL
127876,CC[NH2+]CC1(CC)CN1CC1CC1,0,GDB ChEMBL
382137,CCCC1(NCC#N)CC[NH+]=C1N,0,GDB ChEMBL
320306,CC(C)Oc1nsnc1N1CCN(C=O)C1=O,1,GDB ChEMBL
112891,CC1CCCC=CC2(O)C(C#N)C12,0,GDB ChEMBL
357649,CNc1cc(C(C)C(C)OC(C)C)c(C)n1C,1,GDB ChEMBL
375157,CC1[N-]C(=O)N2C(=O)CN=C2NC1=O,0,GDB ChEMBL
6869,[NH3+]C1(Cc2ccccc2Br)CC1,0,GDB ChEMBL
2144,CCC1C=C(C)CCc2c(I)cccc21,1,GDB ChEMBL
334643,COC(C(N(C)C(N)=[NH2+])S(N)(=O)=O)C(C)(C)O,0,GDB ChEMBL
17584,NC1(C[NH3+])CC(C(=O)[O-])C(O)C1[NH3+],0,GDB ChEMBL
195528,CC12C(C(N)C#N)NS(=O)(=O)C1C2C(=O)[O-],0,GDB ChEMBL
30312,NC(=[NH2+])NCc1nc(O)c(CO)s1,0,GDB ChEMBL
280763,C#CCC(C)c1cccc(Br)c1CC(C)CC,1,GDB ChEMBL
336022,CC(O)C[NH+]=C(N)NC1CC([NH3+])C(N)C1O,0,GDB ChEMBL
225207,C#CCNCC1(N)C[NH2+]CCCC1(O)COC,0,GDB ChEMBL
143194,CC=CC(O)CC(C)C(C)C1CC1,1,GDB ChEMBL
341354,CCC1C(C#N)=CCCC1(C)CC(C)C,0,GDB ChEMBL
277988,CC1CC2CC(C)C(C)CC(C)[NH+](C)C(C1)C2,0,GDB ChEMBL
164664,CC(=O)n1c(C)cnc1C1CC2CC(C2)C1,1,GDB ChEMBL
195263,C[NH2+]CC(O)C1Cc2[nH]cnc2C1(C)[NH3+],0,GDB ChEMBL
104619,NC(=[NH2+])NCC1[NH2+]CC(CO)C1O,0,GDB ChEMBL
707,CC(=O)c1ccc(Cl)cc1CC1CC1,1,GDB ChEMBL
116626,C1=CC2CCCCC=C1C(OCC1CC1)C2,0,GDB ChEMBL
210287,CC1CC2CC=CC1(C)C[NH+]2C,0,GDB ChEMBL
27932,COCC1=C(C)CNC=CC(=O)N1,0,GDB ChEMBL
353569,CCCN1CC1C1=CCC(C)C1,0,GDB ChEMBL
197430,CN(C=O)CC1C(C#N)CCN1C=O,1,GDB ChEMBL
137112,CCCC(=O)NCCC(=O)N(CC)CC,1,GDB ChEMBL
179293,C#Cc1cc(Br)c(N2CCCC2)c(CO)c1,1,GDB ChEMBL
78612,C#CC12C(CC(C)C1(OC)C(=O)[O-])N2C,0,GDB ChEMBL
346857,CCC1(c2nc(C)cs2)CN1,1,GDB ChEMBL
99605,CCCC(C(=O)CO)C(C=O)C(C)(C)C,0,GDB ChEMBL
295897,COC1C(C)C(C)C1c1ncccc1F,0,GDB ChEMBL
274651,OCC1C2CC3C2OCCN13,0,GDB ChEMBL
208552,COc1nc(C(C)O)cs1,1,GDB ChEMBL
345787,NC(=O)NC(C=O)C1OCC(O)C1O,1,GDB ChEMBL
365743,CC(O)c1cc2nc(N)c(C(N)=[NH2+])cn2c1,0,GDB ChEMBL
228306,CCCc1c(C)cc(Br)c2c1CCC2C,1,GDB ChEMBL
127010,N=C(NC1CC1)c1ccno1,1,GDB ChEMBL
13783,C#CCC1CC2CC(COC)[NH2+]C(C2)C1(C)C,0,GDB ChEMBL
17088,CC(=O)NC(=N)C1=C[NH2+]C(C(C)C)C1,0,GDB ChEMBL
354023,CC#CC1(C(C)CCC)CCCC1C,0,GDB ChEMBL
144524,C[NH2+]CC1NC(=O)OC12CCC2(C)C,0,GDB ChEMBL
338822,CCC1CCCC1(CC(F)(F)F)C(C)CCO,0,GDB ChEMBL
389590,CC(C)[NH2+]CC1CC(O)C(C)C1CC(C)(C)C,0,GDB ChEMBL
80516,N#CC1(N)CC([NH3+])C[N-]C1=O,1,GDB ChEMBL
226273,N#CC1C(C(O)C[NH3+])C1(O)C(=O)[O-],0,GDB ChEMBL
156497,CC(O)C1OC2C=C1C[NH2+]CC([NH3+])C(C)C2,0,GDB ChEMBL
259690,NC(N)=[NH+]C1(CO)C(N)C1(O)C(=O)[O-],0,GDB ChEMBL
336589,CCc1cc(C[NH3+])c(F)c(NC(=O)COC)c1,0,GDB ChEMBL
372134,C#CC1CC2CCCC(C)(C(CC)C1)C2CC,0,GDB ChEMBL
188510,CCC[NH2+]C1CCC2(C)CC(C)(C)CCCC12,0,GDB ChEMBL
320481,C#CC(OC)C(C[NH2+]C)NCCC,0,GDB ChEMBL
323305,N=C1NC(=O)C([NH3+])(CCO)C1N,0,GDB ChEMBL
8760,CCc1cnc(O)c(C(C)C)c1,1,GDB ChEMBL
66676,CCC(C)(C)Cc1ccc(C)cc1I,1,GDB ChEMBL
46000,CCCC1(C)CCC2CCC1C(C#N)C2,0,GDB ChEMBL
181570,Cc1ccc(Br)c2c1C(C1(C)CC[NH2+]C1)CC2,0,GDB ChEMBL
379124,C#CC1C(C)N1C(CC)c1nc(C)no1,0,GDB ChEMBL
31323,CCCC(C)N1CC1,1,GDB ChEMBL
160333,N#Cc1c(C(O)CO)cc2ncnn2c1[O-],0,GDB ChEMBL
86996,CC1NC(=O)C2C=CC(C)(C#N)C1C2O,0,GDB ChEMBL
393559,CC1[NH2+]C2CCOCC2C2OC12,0,GDB ChEMBL
169092,CC(O)C1CCOC(=O)N1c1n[n-]cnc1=O,0,GDB ChEMBL
384809,CCC1(C)CCC2[NH2+]C(C)C(COC)C21,0,GDB ChEMBL
108110,C#CCN(CS(=O)(=O)C#N)C(=O)CO,0,GDB ChEMBL
355419,[NH3+]C1C2=NCC(=O)N2C1C(=O)[O-],0,GDB ChEMBL
98555,CCC1CCc2c1sc1c2CCCC1,1,GDB ChEMBL
48722,CCCCC1CCCC1S(C)(=O)=O,1,GDB ChEMBL
98886,N#CC1C2N1C(=O)CCCS2(=O)=O,0,GDB ChEMBL
378114,[NH3+]C1CCOCC2OCOC2C1CO,0,GDB ChEMBL
149287,CCC(COC)NC(=N)S(=O)(=O)C(=O)[O-],0,GDB ChEMBL
378625,N#Cc1cc(Br)c2nc(N)nn2c1,1,GDB ChEMBL
380239,CCC(C(C)C)C1C2C=CCCCC21,0,GDB ChEMBL
173844,CCC1(C)OC1CN1CC(=O)NC(C)C1,1,GDB ChEMBL
216453,COC(CO)C(O)CC(C)[NH3+],0,GDB ChEMBL
355135,CC(=O)NC(=O)CC1COC1C,1,GDB ChEMBL
190079,CC(C)(C)CC1=CCCc2ccc(Cl)cc21,1,GDB ChEMBL
286849,CC(O)C(O)C1(N)C[NH2+]C(C(N)=O)C1CCO,0,GDB ChEMBL
264941,CC(=O)NCC1C2NS(=O)(=O)CC(O)C12,0,GDB ChEMBL
101894,C#CCC1CC(CC)=CC(CC)C[NH2+]1,0,GDB ChEMBL
281176,CCc1ccc(Br)c2c1NC(C)(CC)C2C,0,GDB ChEMBL
194386,CC1=CC(C)CN(C(N)=O)CC1,1,GDB ChEMBL
127182,Cc1ccc(N)[nH+]c(=N)cc(C#N)ccn1,0,GDB ChEMBL
121982,CCCC1(CC)CC(O)CC2C(CO)C21,0,GDB ChEMBL
115708,C#Cc1ccc(C)c(C(CC(C)O)C(N)=O)c1,1,GDB ChEMBL
328848,CCC1OC2(CNCC(=O)C2)C[NH+](C)C1C,0,GDB ChEMBL
198663,CC1(O)C=C(CCCC#N)C[NH2+]CCC1,0,GDB ChEMBL
318760,CC1C2COC(CNC(N)=[NH2+])C12,0,GDB ChEMBL
148521,CCc1cc(C)c(C(C)C(C)C)c(I)c1NC,1,GDB ChEMBL
182933,CC(C)(C)Nc1cc(N)nn1CC(C#N)C=O,1,GDB ChEMBL
284721,O=C([O-])C1C[NH2+]Cc2c(Br)cnnc2O1,0,GDB ChEMBL
51077,N#CC12[N-]C(=O)CC1(N)C2C([NH3+])C(N)=O,0,GDB ChEMBL
312224,N=C1NCC=C2COC(=O)N12,1,GDB ChEMBL
277909,Cc1ccc2c(c1Cl)CCCC=C2C1CC1,1,GDB ChEMBL
344314,COCC(CS(=O)(=O)[O-])N1C(N)=[NH+]CC1C,0,GDB ChEMBL
28304,CC(=O)N(C=O)C(=O)NC(N)=O,1,GDB ChEMBL
148781,CC(C=O)N(C)c1ccc(Br)cc1C[NH+]=CN,0,GDB ChEMBL
66172,CCC1CC2CCC(C1)C2CCCCC(C)C,0,GDB ChEMBL
51862,CCCC1(O)C2CC(C)[NH2+]C(CN(C)C2)C1N,0,GDB ChEMBL
259651,C[NH2+]C(COC)C1CCC(=O)O1,0,GDB ChEMBL
264929,CC(CCC1C[NH2+]1)c1ccc(Cl)cc1,0,GDB ChEMBL
318555,CCC(C)C1C[NH+]2CCC(C[NH2+]1)C1C(O)C12,0,GDB ChEMBL
200982,CC1(C)C=CC2CC[NH+]1CC2,0,GDB ChEMBL
361651,CCC(N(CC)C1CCC1)C(F)(F)F,1,GDB ChEMBL
222184,CCC1CCC[NH+]2CC3=CC2CC31,0,GDB ChEMBL
266500,CC1(C)CCC(O)C2CCC1C21CCC1,0,GDB ChEMBL
211100,CCc1cnn(C(=O)Nc2ccon2)c1N,1,GDB ChEMBL
372499,CCc1ncc(CC2(CC)CCOC2)cc1Cl,0,GDB ChEMBL
398737,C=CCCCC(C=O)CC=C(C)C,1,GDB ChEMBL
302307,CC1NC(N)=[NH+]C2CCC1C(C)(C)C2CO,0,GDB ChEMBL
292207,COC(C#N)C1COC(=N)NC(=O)O1,1,GDB ChEMBL
281945,CCC(C)NC(=O)C(C#CC(C)[NH3+])C(C)C,0,GDB ChEMBL
105956,O=C([O-])C1=CCCc2c(O)cc(F)cc21,0,GDB ChEMBL
190324,Cc1cncc(C)c1N1C(=N)CCCC1=O,1,GDB ChEMBL
122894,CCN(C)c1c(C#N)n[nH]c1C(C[NH3+])CO,0,GDB ChEMBL
132178,CCCCC1[NH2+]C2CCC1C2,0,GDB ChEMBL
221908,CCC1C([NH3+])C(C)CC(C)C(O)C1C[NH3+],0,GDB ChEMBL
174825,C#CC1CC(CC(N)C[NH+](C)C)[NH2+]1,0,GDB ChEMBL
304825,CCC1CC2CC3c4cc(F)ccc4C1C23,0,GDB ChEMBL
220168,C#CC1C(C)C(C)CC(C)[NH+]1C,0,GDB ChEMBL
38185,CC1CC2CNC(CO1)C([NH3+])C2,0,GDB ChEMBL
330040,CCn1c(C)c(F)c(C)c(C)c1=O,1,GDB ChEMBL
179111,CCNC(=O)C1C([NH3+])C2OC2C1S(N)(=O)=O,0,GDB ChEMBL
112830,C#CC1CC(C)(O)CC(OC=O)CC[NH2+]1,0,GDB ChEMBL
226251,C#CC1(C)CC1(C)c1cc(Cl)cc(Cl)c1,0,GDB ChEMBL
202475,CNC(N)=NC(C(N)=O)C(=O)OC,1,GDB ChEMBL
238523,C[NH2+]CCNS(=O)(=O)C#CCC(C)CO,0,GDB ChEMBL
218838,CCC1CC2C(C)CC1C2(C)CO,0,GDB ChEMBL
26028,CC12C[NH2+]CCNC(C1)C(=O)N2,0,GDB ChEMBL
273694,C#CC(CC1=NCCS(=O)(=O)N1C)C(=O)[O-],0,GDB ChEMBL
355802,N#CC(CC(=O)[O-])CS(=O)(=O)NC=N,1,GDB ChEMBL
351184,COC(=O)Cc1ccc2c(c1Br)C(O)CC2O,1,GDB ChEMBL
24761,C#Cc1cc(Br)c2c(c1)CC(COC)=CC2,1,GDB ChEMBL
34885,Cc1cc(N)c(C(=O)CC#N)c(=O)n1C(N)=O,1,GDB ChEMBL
22811,C#CCc1ccc2cc(OC)cc(Cl)c2c1C,1,GDB ChEMBL
122006,CC(C)C1[NH2+]C2CC3OC2CC31,0,GDB ChEMBL
341295,Cc1ccc2c(c1)C1(CC[NH3+])C3C=CC2C31,0,GDB ChEMBL
26467,CC1OC1C(O)C(O)C(=O)NC(N)=O,1,GDB ChEMBL
227489,CCCC1C2CCC(C2=O)C1C(O)C(C)(C)C,0,GDB ChEMBL
28249,CCC#CC([NH3+])c1c(Br)cccc1Br,0,GDB ChEMBL
398165,CC1[NH2+]CC(O)(C(=O)[O-])C(C)C(O)C1C(=O)[O-],0,GDB ChEMBL
309793,CCc1cc(Cl)c(N(C)C)cc1CC(F)(F)F,1,GDB ChEMBL
288555,CN(CCO)CS(=O)(=O)N1CC(=O)NC1=N,0,GDB ChEMBL
388460,CN(C(C[NH3+])C[NH+]=C(N)N)S(C)(=O)=O,0,GDB ChEMBL
146029,CC1C[NH2+]C(C)(CO)C1CCCc1ccsc1,0,GDB ChEMBL
186719,CCC[NH2+]CC(O)(CO)C(C)(N)CC#N,0,GDB ChEMBL
147848,C#CC(=O)N(C)C(=O)CNCC(C)[NH3+],0,GDB ChEMBL
305268,CCOC(=O)[N-]S(=O)(=O)OCC[NH3+],0,GDB ChEMBL
186726,CC1C2COC1C(O)C2,0,GDB ChEMBL
176450,CC1=CCC2(C)CC([NH+](C)C)C1CC2C,0,GDB ChEMBL
337815,N#CC(CCOC=N)C1CCC(=O)N1,1,GDB ChEMBL
196766,CCC1C(C)CC(CCC(C)C)C1CC,0,GDB ChEMBL
170116,C#CC1=CCC(CC)OC(=O)C=C1,1,GDB ChEMBL
47225,C#CCC1CCCC(C)C(C[NH3+])C1C(C)(C)C,0,GDB ChEMBL
263456,CCOCCC(CO)C(C)[NH2+]C,0,GDB ChEMBL
245502,CCCC1C(=O)OC12C[NH2+]C2,1,GDB ChEMBL
4945,CCc1[nH]ccnc(O)c(C)c(CC)c1C#N,0,GDB ChEMBL
81624,CC1CC(N)(C[NH3+])C(C(=O)N(C)CC#N)O1,0,GDB ChEMBL
255153,CCCCCC=CC1CCC1[NH2+]C,0,GDB ChEMBL
153231,C=CC1CC(C[NH3+])C2[NH2+]CC(O)C12,0,GDB ChEMBL
190481,CCOC(=N)OCCNC(NC(C)C)=[NH+]C,0,GDB ChEMBL
222846,C#CC1=C(C)C(=O)CCCC[NH+](C)C2CC12,0,GDB ChEMBL
168417,CC(C(N)=O)C([NH3+])(CO)C(O)C(=O)[O-],0,GDB ChEMBL
371734,C#CC(C)C1(C)CC(C(F)(F)F)CC1C,0,GDB ChEMBL
186026,O=CNc1c(F)ncnc1OCC(=O)[O-],1,GDB ChEMBL
340452,COCC(C)C1C2CC([NH2+]2)C1O,0,GDB ChEMBL
323185,CCC1CC(C(C)C)CC(OC(C)C)C1CC,1,GDB ChEMBL
76054,CC#CC(C)NC(=O)C(C)(O)C1CCC1,1,GDB ChEMBL
274914,C#CC(C=O)CCOCC(CO)OC,0,GDB ChEMBL
276280,CC(C)CCC1=CCCCCC1,1,GDB ChEMBL
135415,CCC1(N)CNC(=O)NC1=O,1,GDB ChEMBL
277692,C#CCCC(CC)C1(C)CCCC(C)C1CC,0,GDB ChEMBL
360827,OC1C2COCC[NH2+]C2C2OC12,0,GDB ChEMBL
337190,C=CC1OC(=O)C(CCC)N2CC12,1,GDB ChEMBL
375534,CNC(=[NH2+])N1CC(N)C(N)C1,0,GDB ChEMBL
2323,OCCC1CCC1c1ccc(Br)cc1,1,GDB ChEMBL
196470,N=C1COC(=N)C(C[NH3+])(CC(=O)[O-])OC(=O)N1,1,GDB ChEMBL
115289,CC1CCCC(C)C2C([NH2+]1)C1(C)CN2C1,0,GDB ChEMBL
385609,CC1OCC2OC2(C(=O)[O-])C1[NH3+],0,GDB ChEMBL
386541,CC12CC=CC1=CCc1c(F)cccc1C2,0,GDB ChEMBL
66162,CCC[NH+]1CC2CC1CC=CC(=O)N2,0,GDB ChEMBL
375713,NS(=O)(=O)OC1CNC(CCO)CO1,1,GDB ChEMBL
100670,N#CCC(Nc1c[nH]nc1[O-])C(N)=O,0,GDB ChEMBL
13847,C#CCCC12C=C(C)CC(CCOC1)C2,0,GDB ChEMBL
83498,NC(=O)C1Cc2[nH]ccc2C1CO,0,GDB ChEMBL
236559,CCNc1cc(C)c(CCC[NH2+]CC)[nH]1,0,GDB ChEMBL
46887,CN1C(=O)C2CC1C1CCC2(C)C1,0,GDB ChEMBL
132550,CC1CC(C)(C)C(=O)N1C=CC[NH3+],1,GDB ChEMBL
175676,CC(C#N)N(C)C1=[NH+]CCN1,0,GDB ChEMBL
42551,C[NH2+]C1(CN)CC=CCCCC1,0,GDB ChEMBL
148868,CCCOC1(C(=O)[O-])C(C)C(O)CC(O)C1[NH3+],0,GDB ChEMBL
40417,CC[NH+]1CCCC=C(C)C(C)=CC1(C)C,0,GDB ChEMBL
184678,CCC(C(C)CC1CC1)C1C=CC(CO)C1,0,GDB ChEMBL
320311,CC1CC=Cc2c(cccc2C(C)C)CC1,1,GDB ChEMBL
133166,CCC1=CC(=O)NC(=N)N(C(N)=O)C1C,0,GDB ChEMBL
284341,CCCC1(C#N)C=CC(C)CC1,1,GDB ChEMBL
8765,CC(C)([NH3+])CC1(O)CC(C)(C)CCNC1C#N,0,GDB ChEMBL
70059,CNC1C(C#N)OC1CC[NH3+],0,GDB ChEMBL
33188,CNC(=O)N(CCO)C(=O)C(N)=O,1,GDB ChEMBL
215315,CC([NH3+])(COc1ncc(Cl)nc1N)C(=O)[O-],1,GDB ChEMBL
24503,CC(=O)N1C(C)CC23CC2CC(C)CC13,0,GDB ChEMBL
44654,CC[NH2+]Cc1c([O-])nn[nH]c1=O,0,GDB ChEMBL
377323,CN1CC2CC(O)C2NC1=O,1,GDB ChEMBL
61685,CCOC(CC(=N)OC)c1ncncc1CO,0,GDB ChEMBL
379399,CC1(C)CC(O)CC(O)CCC([NH3+])C2CN21,0,GDB ChEMBL
41047,CC(=O)N1CCCC2C(C1)C2(O)S(=O)(=O)[O-],0,GDB ChEMBL
24508,Cc1cc(Cl)c2c(c1)CC1CC(C)CC1=C2,0,GDB ChEMBL
303880,CCC(C)C12C[NH+]3CC1C2C3CO,0,GDB ChEMBL
304457,CC1=CCCCC2(C1)CN(C)C2C#N,0,GDB ChEMBL
160352,CNC(C[NH3+])C1COC(=O)[N-]S1(=O)=O,0,GDB ChEMBL
346867,N#CC(NC=O)C1C[NH2+]CC1O,0,GDB ChEMBL
277703,CCOC1(C)CC(C)C2C3CCCC(C3)C2C1,0,GDB ChEMBL
167346,O=Cc1cc(F)cc2cnc(F)cc12,1,GDB ChEMBL
201409,CCCC1CCC=C(C)C(C)CCC1,1,GDB ChEMBL
269184,O=C(NCCO)c1cc[nH]c1-c1nn[n-]n1,0,GDB ChEMBL
332711,C#CCCc1cc(I)c(C)c(C2CC2)c1,1,GDB ChEMBL
346559,CC(C)C1CCCC2CCOC21,0,GDB ChEMBL
382565,CC(C#N)C1OC(C2OC(=O)CC2[NH3+])CC1O,0,GDB ChEMBL
11723,C[NH2+]C1CC2(C1)OCCN(C(N)=O)C2=O,0,GDB ChEMBL
227273,C=CCCC(C(=C)C)C1(C)CCC1,0,GDB ChEMBL
334366,CCCC([NH3+])C1COC2CCC(O)C2(C)C1,0,GDB ChEMBL
338499,CC(C)(C)COC(=O)C(C)(C)[NH3+],1,GDB ChEMBL
200544,O=C1CS(=O)(=O)CCC(C(=O)[O-])N1,1,GDB ChEMBL
244352,O=CC1C(O)C1[NH2+]CCO,0,GDB ChEMBL
67863,CN(C)C(=O)C1(CC(=O)[O-])OC1C=O,1,GDB ChEMBL
353798,C#CCC(=O)c1cccn1C,1,GDB ChEMBL
79385,C[NH+]=c1nc2ccsc2c(N)n1CCC[NH3+],0,GDB ChEMBL
130488,CN1C2C([NH3+])CC(=O)NC(C(=O)[O-])C21,0,GDB ChEMBL
180030,C=CC1C2C[NH2+]C(C)(C(=O)N2)C1O,0,GDB ChEMBL
61308,CCNc1c(C)c(C)c(O)c(C)c1OCCO,1,GDB ChEMBL
388418,Cn1cnc(O)c1CCC#N,1,GDB ChEMBL
93450,Cc1c(C2COC2)ccc(C(C)C)c1F,1,GDB ChEMBL
297039,O=C1C=C2C(CC[NH+]2C2CC2)CO1,0,GDB ChEMBL
25198,NC1CNC(=O)CC2C([NH3+])C2OC1=O,0,GDB ChEMBL
271603,CC([NH3+])CC(O)COC(=O)CN(C=O)C(=N)N,0,GDB ChEMBL
94626,CC1C=C(CCC=O)CCCC1,1,GDB ChEMBL
386421,C#CC(O)(C#C)C1([NH3+])CC(CC(=O)OC)C1,0,GDB ChEMBL
384841,Cc1cc(C2CCC2C(C)C)ccc1F,1,GDB ChEMBL
118831,CC1CC2C(C[NH3+])CCC1C2C,0,GDB ChEMBL
259479,CC1(NC(=O)C(N)=O)COC1,1,GDB ChEMBL
388244,CC(C)CCC([NH3+])C12CC[NH2+]C1C(=O)N2,0,GDB ChEMBL
141831,CC1CCC#CC=CCC[NH+]1C,0,GDB ChEMBL
148175,CCC(C)C1C2C3OC3(CC)C1CC[NH+]2C,0,GDB ChEMBL
146918,CCc1c(C(C)C(C)C)cc(C=O)c(C)c1Cl,1,GDB ChEMBL
345483,C#CC(C)(c1ccc(CC)c(Cl)c1)C(C)CC,0,GDB ChEMBL
95563,CCC#CCOC1CCCC(C)C1,1,GDB ChEMBL
87640,CCC1C(C)(C)CC2C(C)CCCC21C,0,GDB ChEMBL
309153,O=C([O-])C1C(CO)CC2NC21,0,GDB ChEMBL
153296,CC1[NH2+]CC2CC(C)([NH3+])CCC(C)(C2)C1C,0,GDB ChEMBL
204453,COc1nc(N)nc(OC)n1,1,GDB ChEMBL
173841,CC(C)C(O)C#CCCNC=O,1,GDB ChEMBL
362801,C#CC(C)(CC)C(CC)CCCC,0,GDB ChEMBL
301148,CCc1ccnc2cc(Cl)nc(C)c12,1,GDB ChEMBL
284833,C#CC1(C)C[NH2+]C2CCC(C1)C(C)C2OCC,0,GDB ChEMBL
109503,C[NH2+]CC1(C)CC(=O)OCC2(C[NH2+]C2)O1,0,GDB ChEMBL
304640,Cc1cc(CCC(C)(C)C)c(C)cc1Br,1,GDB ChEMBL
127731,CCOC1C(O)C2C(CN)[NH2+]C1C2C,0,GDB ChEMBL
65633,N#CC(CO)OC1=NCC(O)C(=O)N1,0,GDB ChEMBL
210770,C[NH2+]CC(=O)NCC([NH3+])C1C(O)C1(C)[NH3+],0,GDB ChEMBL
34369,CC[NH+]1CCCC2(C)CC(=O)C=C2C(O)C1,0,GDB ChEMBL
193186,CC1C=CCCCOC(C)C1,1,GDB ChEMBL
330937,Cc1cc(=N)ncnc1CC(O)CCCC#N,0,GDB ChEMBL
91187,CCCC1CCCC2=CC(C)C(C)CC2C1,0,GDB ChEMBL
51091,CCc1c(C(C)(C)O)nnn1CC,1,GDB ChEMBL
22019,CC1NC2=NC(CCC(C(N)=O)C1=O)C(C)O2,0,GDB ChEMBL
180966,CC#CC(CC)CC1=[NH+]C(C#N)CN1C,0,GDB ChEMBL
203890,NC(=[NH2+])NCC1NC(=O)C2C[NH2+]C1(CO)C2O,0,GDB ChEMBL
264991,c1cc2ccc3c(c2s1)CCCC3,1,GDB ChEMBL
288697,Cn1ncc(C(N)C#N)c1C(N)=[NH2+],0,GDB ChEMBL
290125,CC(CNC(N)=[NH2+])C1CO1,0,GDB ChEMBL
81588,CCNC(=O)CC12CCC(C)C1CC2,0,GDB ChEMBL
392260,C#CCC(C)[NH+]1CCCCCC1,0,GDB ChEMBL
222787,C[NH+]1CCOCC(C[NH3+])C1,0,GDB ChEMBL
136130,NC(=O)C([NH+]=C(N)N)c1ncco1,0,GDB ChEMBL
114387,Nc1c(O)ncc(NC(=O)C[NH3+])cc1=O,0,GDB ChEMBL
114806,C#Cc1ccccc1C(O)C(CC)C(C)(C)C,1,GDB ChEMBL
225440,COC1CCC2(CC1)CC1C(O)CCC2[NH+]1C,0,GDB ChEMBL
146022,N#CCCCCCC[NH2+]C1COCOC(=O)C1,0,GDB ChEMBL
374927,COC1CC(CC(C)[NH3+])C(C)C1[NH3+],0,GDB ChEMBL
248879,CC(=O)NC(=O)C1NC1C#N,1,GDB ChEMBL
111555,CC#CCCC1CC2CCC1C2,1,GDB ChEMBL
142514,O=C1CC[NH2+]C2CCC(O)C3CN1C23,0,GDB ChEMBL
20782,CCN1CC(C)OC(C(N)=O)CS1(=O)=O,1,GDB ChEMBL
111880,CN=C(NC(=O)C(C)O)C(C)=O,1,GDB ChEMBL
374021,CC1OCC2(C[NH2+]C(CO)C2)C2CC12,0,GDB ChEMBL
235547,CCc1cccn2ccc(O)c2ncn1C,0,GDB ChEMBL
308715,C#CC1C(O)C(O)C(NC=O)C(C[NH3+])C1OC,0,GDB ChEMBL
358422,NC(=O)C1OC(=O)C1C([NH3+])CCO,0,GDB ChEMBL
387284,C#CC(CO)[NH2+]CC(C)(C)C,0,GDB ChEMBL
398721,CCCC(OC)C1([NH+](C)C)CC1,0,GDB ChEMBL
120559,[NH3+]C(C(=O)[O-])C(CO)C1CC1,1,GDB ChEMBL
304264,N#CCNC(=[NH2+])NC(CO)CO,0,GDB ChEMBL
162501,N#CC(C[NH3+])C1C(=O)NCC2C(=N)OC1C2O,0,GDB ChEMBL
143843,N#CC1CCCCC1CO,1,GDB ChEMBL
153242,C#CC1CCOCCC2CC[NH+](C)C1C2C,0,GDB ChEMBL
84927,COC1C[NH2+]C(C)C(O)C1[NH3+],0,GDB ChEMBL
163424,CCC(CC([NH3+])C1CC(C)[NH2+]CC1(C)C)[NH2+]C,0,GDB ChEMBL
33551,CNC(=O)c1[nH]c2c(C=O)ccnc2c1C,1,GDB ChEMBL
181715,CCOc1cnoc1CN(C)C(C)=O,1,GDB ChEMBL
214729,CC1C2CC(C(N)=O)[NH2+]C1C(C=O)O2,0,GDB ChEMBL
84908,CC1OC(=O)C1(O)CC(N)=O,1,GDB ChEMBL
338855,CCc1cc(C)c(Cl)c2c1C1CC2C1,1,GDB ChEMBL
225396,C#CC(C)(CCC)OC1C[NH2+]C1,0,GDB ChEMBL
112624,N#CCN(CC1C([NH3+])C1O)C(N)=O,0,GDB ChEMBL
269215,CCC(C)(C)C1C(O)C=C(C)CCC1C,0,GDB ChEMBL
48178,C#CCC1CC(O)C2NC1(C(=O)[O-])C(C)C2=O,0,GDB ChEMBL
248643,CC(C)(O)C1C2NC(=[NH2+])NC21,0,GDB ChEMBL
132997,CC(=O)OC(CO)(CO)C(=N[O-])C(O)CO,0,GDB ChEMBL
354867,O=C([O-])CCCC(=O)c1c(Cl)nc[nH]c1=O,1,GDB ChEMBL
80275,CC(=O)Nc1cc2c(n1CCO)[NH+]=C(N)NC2,0,GDB ChEMBL
277390,CC1CCC2CCCC(O1)C1C[NH+]2C1,0,GDB ChEMBL
372161,C[NH2+]C1CC(=O)[N-]C(C#N)C2=NCC(CN2)C1,0,GDB ChEMBL
190439,CCC1CC2CC(C)(C)CCC2C12CC2,0,GDB ChEMBL
84538,CC(C)(C)[NH2+]C1CC(=O)C=C2C(CO)OC21,0,GDB ChEMBL
395983,CCNc1cc(C(CO)C(N)=O)[nH]n1,1,GDB ChEMBL
385358,CCC(C)(CC[NH2+]CCC#N)C[NH2+]C,0,GDB ChEMBL
274044,CCCC(COC=O)n1cncc1C,1,GDB ChEMBL
302489,NC(=[NH2+])NC1C2OCC(OC(N)=O)C12O,0,GDB ChEMBL
45006,N#CC1CCNC(=O)OC(=N)C1O,1,GDB ChEMBL
112651,CC(C)[NH2+]C(C)(C)C(CO)C1CCCC1,0,GDB ChEMBL
278197,CN1CC2OC(=O)NC(C#CCCO)C21C,0,GDB ChEMBL
80207,O=C1C=CC2[NH2+]CC2C1,0,GDB ChEMBL
283390,C[NH2+]CC(=O)NC(=N)CC1(CC=NO)CC1,1,GDB ChEMBL
386495,NC(=O)C1=NC(C(=O)NCC(=O)[O-])C(CO)O1,0,GDB ChEMBL
17103,CCC1(OC)C(=O)OCC1OC,1,GDB ChEMBL
268171,Cn1cc(Cn2cncn2)nc1C[NH3+],0,GDB ChEMBL
242637,CC1=CCC[NH2+]C1C(N)=O,0,GDB ChEMBL
235528,NC(=O)CCN=c1[nH]ncnc1N,0,GDB ChEMBL
204794,C#CCCC1(C)OCCC(=O)C1CCC,0,GDB ChEMBL
388264,CCCN1CC(=O)C(C)(O)C(C)C(=O)NC1=N,0,GDB ChEMBL
124869,Cc1cc(F)c(C[NH3+])c(C2(O)CC2O)c1,1,GDB ChEMBL
122700,CC1(CN)CCC(C(N)=O)[NH2+]1,1,GDB ChEMBL
202043,CCCC1CCC(C=O)(CC)[NH+](C)C1,0,GDB ChEMBL
354624,N#CCCN=CN(C=O)CC[NH3+],0,GDB ChEMBL
351434,C[NH2+]CCC1CC2CC=CC1C21CC1,0,GDB ChEMBL
122878,CC12CCC(C(CO)[NH2+]1)C1CC12,0,GDB ChEMBL
186616,CN=C(C)OCc1ccsc1C,1,GDB ChEMBL
249835,CC1C(O)CC(=O)CCCC2(C)CCC[NH+]1C2,0,GDB ChEMBL
181536,[NH3+]C(CO)c1cccc(Br)c1,1,GDB ChEMBL
244566,CCOC(=O)N1CCS(=O)(=O)NC=C1C#N,0,GDB ChEMBL
323363,CCC12C(C)=CC(CN1C(C)=O)C2O,0,GDB ChEMBL
282226,C[NH2+]C1C2C=C(C)CC(CCN2)C1C,0,GDB ChEMBL
175727,C[NH2+]C1CC2CC(C)=CC1CC2C,0,GDB ChEMBL
207274,CN1C2CC[NH2+]C(COC2=O)C1CCC[NH3+],0,GDB ChEMBL
345476,CN1C2C(=O)NCC21C1CC(O)C[NH2+]1,0,GDB ChEMBL
201033,CC1C=CC=CC[NH2+]CCN1C(N)=[NH2+],0,GDB ChEMBL
279296,Cc1ncc(CC[NH3+])c(I)c1N,0,GDB ChEMBL
333883,Cc1cc(Cl)c2c(c1)OC1C(C2)CC2NC21,0,GDB ChEMBL
323136,COC(CC(N)(C#N)CN)(C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
149338,CC1CCC(=O)N(C(=N)C(O)S(N)(=O)=O)C1,0,GDB ChEMBL
334432,CC1(O)CC(O)C=C(C=O)C1[NH2+]C1CCC1,0,GDB ChEMBL
382471,CC(O)C1OCC(=O)NC(=O)O1,1,GDB ChEMBL
263270,C#CC1CN1C(C)C1CC1CCCC,0,GDB ChEMBL
257550,COC(C)C1CC=C(C)C1O,1,GDB ChEMBL
100702,C#CCCCC1CC(C)C(C)C(C)CC1CC,0,GDB ChEMBL
291534,CC1C[NH+]1C1CCC2C[NH2+]CCC21C,0,GDB ChEMBL
331508,O=CN1CCC=C(C(=O)[O-])C1,1,GDB ChEMBL
334368,CC(O)C(C=O)C(C)(C)O,1,GDB ChEMBL
345445,CC1C([NH3+])C(NS(C)(=O)=O)C1(CO)C(=O)[O-],0,GDB ChEMBL
362325,CCC1(C(C)CCO)OC1C,0,GDB ChEMBL
307480,CC1[NH2+]CC2(C(=O)[O-])C1(CO)CNS2(=O)=O,0,GDB ChEMBL
244648,NC(C(=O)OCC(=O)[O-])C(CO)NC=[NH2+],0,GDB ChEMBL
104720,O=C1NCC(O)C2NC2C1=O,0,GDB ChEMBL
127524,CCCCCC1=CCCC(CCC)=CCC1,0,GDB ChEMBL
385939,COC1COC(=O)C2CC(C2)OC1,1,GDB ChEMBL
375187,CC(C)CC(C)(C)C(C)(CO)CC1CCCO1,0,GDB ChEMBL
339040,CC1CC2C(C)C1C(=O)NC1CC12,0,GDB ChEMBL
321380,C=CC1C2C(C)[NH+](C)C1C(=O)N2C,0,GDB ChEMBL
307559,CCN1CC=C(C(C)=O)CCCS1(=O)=O,1,GDB ChEMBL
376069,C[NH2+]CCOc1cc(C#N)sc(=O)n1,0,GDB ChEMBL
257400,CCc1c(C)noc1C[NH+]1CCC2CCC21,0,GDB ChEMBL
179326,CCc1ccc(C)c(CC[NH2+]C)c1I,0,GDB ChEMBL
198673,CCC1C=CCCCC2C(C#N)N2C1,0,GDB ChEMBL
302465,CCCC1CC2C3C[NH2+]CC32CC1O,0,GDB ChEMBL
197037,COC(=O)C1CC([NH3+])C2(O)CC12,1,GDB ChEMBL
271052,CCC(C)(O)C(O)C1C[NH2+]CC1O,0,GDB ChEMBL
380353,C#Cc1cc(CC(C)OC(C)C)cnc1CC,1,GDB ChEMBL
350679,C[NH2+]CC(O)C1CC1N1CC1C,0,GDB ChEMBL
70896,CCCCCCCc1c(CC)ccc(C)c1Br,1,GDB ChEMBL
363270,[NH3+]CC1CCC2(CO2)CC(=O)NC1=O,0,GDB ChEMBL
53722,Cc1cccc(=O)n1C1COC1,1,GDB ChEMBL
286135,CC1C=CN(C(=N)CC(=O)[O-])C(=O)N1,1,GDB ChEMBL
172770,CC1CCCCC(C)C2C(C)C(C)C12,0,GDB ChEMBL
127915,CCNS(=O)(=O)COC(CO)CC(N)=O,1,GDB ChEMBL
338886,CC1CCC2(C)CCC1C[NH+]1C3COC(C3)C12,0,GDB ChEMBL
104503,CC(O)(C[NH2+]CCS(N)(=O)=O)C(C=O)C=O,0,GDB ChEMBL
317583,CC1=CC2(O)CC(C2)[NH+](C)CCCCC1,0,GDB ChEMBL
193205,CCC1C[NH2+]CCOC2=NCC(O)C21,0,GDB ChEMBL
33232,CC[NH2+]C(C)C(O)C1C(=O)C(=O)CC1(C)[NH2+]C,0,GDB ChEMBL
292960,CC#Cc1ccc(I)c(N)c1,1,GDB ChEMBL
255965,OC1C=CCC2CCCOCCC12,0,GDB ChEMBL
340406,CC[NH2+]C1CC2CC1(C)CC=C2C,0,GDB ChEMBL
292906,CC(C(N)=O)[NH+](C)CCCC(C)(C#N)C=O,0,GDB ChEMBL
277859,COCC1CC23CC2C=CC3[NH+](C)CCO1,0,GDB ChEMBL
304122,N#CCC(C#N)(C#N)CO,1,GDB ChEMBL
810,[NH2+]=C1NC2C=CC(N1)C2C[NH3+],0,GDB ChEMBL
5349,CC(O)C1COC(N2CCC(N)=[NH+]CC2=O)=N1,0,GDB ChEMBL
253632,CCNC(=O)C(C)C(O)CC,1,GDB ChEMBL
25995,Cn1nc(NCC(=O)[O-])nc1O,1,GDB ChEMBL
242636,CCCCC([NH3+])c1c(C)cc2ccsc2c1I,0,GDB ChEMBL
27926,CC1C=CCC(C#N)(C#N)[N-]C1=O,0,GDB ChEMBL
201024,Nc1cc(CO)c2n1CCC2,1,GDB ChEMBL
381454,CC1CC(CO)CC2CN2C1,0,GDB ChEMBL
176543,CC1=C(C#N)C=C(C(=O)[O-])CC1O,0,GDB ChEMBL
274864,N#CCC12CCCC1CC=CC2CS(N)(=O)=O,0,GDB ChEMBL
262348,CCC1[NH2+]CCC=CC1C,0,GDB ChEMBL
77346,CCC(C)(CN=C(N)NC(=O)C=O)OC,1,GDB ChEMBL
94698,O=C1CC=CC(OCCC(F)(F)F)C=CC1,0,GDB ChEMBL
102143,COCCC1(C)C(C)CC(C)=CC2CC21,0,GDB ChEMBL
307500,COC(C)c1coc(C([NH3+])CCNC(N)=O)c1,0,GDB ChEMBL
17061,C#CCC1C(C)C1(C)Cc1ccccc1,0,GDB ChEMBL
199497,CC(=O)NCc1nc(=N)cc(N)s1,0,GDB ChEMBL
363774,CCC=CC1CC=CCCCCC1,1,GDB ChEMBL
858,CCC1OCC(OC)C1COC,0,GDB ChEMBL
33864,CC(CC1C=CC(O)C1)C1CC1,1,GDB ChEMBL
135440,CN1C(C(=O)[O-])CC(O)C1C(O)C(O)C(N)=O,0,GDB ChEMBL
360821,N=C(CCO)NC(=O)c1cc[nH]c1,1,GDB ChEMBL
92283,Cc1c(I)cc(C2CC2)cc1I,1,GDB ChEMBL
330770,COC1OC2C3(NC(=O)N(C)C23CO)C1[NH3+],0,GDB ChEMBL
312893,COC(CC(=O)[O-])C(=O)C(=N)N,1,GDB ChEMBL
19417,CCC(CC)c1cc(F)c(C)cc1F,1,GDB ChEMBL
160820,CC(=O)C(=O)c1ccsc1,1,GDB ChEMBL
130633,CC#CC1OC(=O)C(O)C1C[NH+]=C(N)N,0,GDB ChEMBL
222056,CC1=CC(CN2CC(O)C2)OC(C)C1,0,GDB ChEMBL
87043,CCNc1nc(O)nc2c1nnn2C,1,GDB ChEMBL
334602,CN1C(C(=O)[O-])C1(CCO)C(N)C(N)=[NH2+],0,GDB ChEMBL
204459,CCC1CC2CC1C(C)C2CC([NH2+]C)C(C)C,0,GDB ChEMBL
269212,CC12CCc3c(I)cccc3C1C2,0,GDB ChEMBL
147574,CC1CCC=CCC2CC(C1)[NH+]1CC21,0,GDB ChEMBL
6515,CCC1C=C2CCC(CC(C)(C)O)C2[NH+]1C,0,GDB ChEMBL
87147,NC(=O)CC(C[NH3+])NCC#CCS(N)(=O)=O,0,GDB ChEMBL
37340,CNC(=O)C(C)C#CC1CN1,0,GDB ChEMBL
86752,CC1=CCC2CCC(C)(C=CCCC1)C2,1,GDB ChEMBL
146895,COCc1c(N)nc(O)n1C(C)=O,1,GDB ChEMBL
163367,CC[NH+](C(C)C)C1CN(CC(=O)[O-])C1=[NH2+],0,GDB ChEMBL
830,CCC(C)(C)C1=CC2CCC(O)CC1C2,0,GDB ChEMBL
236740,CC1CC2(C[NH2+]C2)C(=O)C=CC=CC[NH+]1C,0,GDB ChEMBL
287023,CNC(=O)CCN(C)C(C)=[NH2+],1,GDB ChEMBL
274352,CCC(O)Cn1cncc1O,1,GDB ChEMBL
309787,CS(=O)(=O)c1cc(C#N)cc(C(=O)[O-])c1Br,1,GDB ChEMBL
344323,CC1CC2C[NH2+]C2C(CO)C1C,0,GDB ChEMBL
124179,CCC1OC(=O)C2CC(CO)[NH2+]CCCC1C2,0,GDB ChEMBL
70357,Cc1c(I)c(CO)c2ncncc2c1O,1,GDB ChEMBL
391693,COC(CC[NH3+])CNC(C)=O,0,GDB ChEMBL
73858,C#Cc1cc(F)cc(C(C)C2CC2C)c1,1,GDB ChEMBL
112477,CCCCNC(=O)C1CCC2(CO)C[NH2+]C1C2,0,GDB ChEMBL
207261,CC12NC(=O)OC1(C[NH+]=C(N)N)C2O,0,GDB ChEMBL
247198,CC1OCOCCCC1CCCO,0,GDB ChEMBL
277990,CC[NH2+]C(C(C)C)C1(C)CC[NH2+]CC1,0,GDB ChEMBL
133960,CCC1C2C#CC=CC(=O)NC1CC2,0,GDB ChEMBL
292250,C[NH+](C)C1CCC2CCC1(C)C2,0,GDB ChEMBL
292304,CCC([NH3+])C(CNCC#N)C(C)(CC#N)NC,0,GDB ChEMBL
318059,CNC(=O)C1CC1CC=O,1,GDB ChEMBL
148509,CC(=O)CC(O)C1OCOC1=O,1,GDB ChEMBL
301491,O=C1NC2CCC3C[NH2+]CCN1C32,0,GDB ChEMBL
386671,Cc1ccc2c(c1)CC[NH+]1C(C)CC21C,0,GDB ChEMBL
314938,CC1C[NH+](C)CCC(C)N2C1C2C(C)(C)C,0,GDB ChEMBL
333127,CCc1ccc(CC(N)=O)n2c(N)c(O)nc12,0,GDB ChEMBL
104592,CN1CC23CCC1CC2C(O)C[NH2+]3,0,GDB ChEMBL
197255,Cc1ccc(I)c(C2CCC(=O)C(C)CC2)c1,1,GDB ChEMBL
258330,CC(C)C#CC(NCC#N)C(C)CC[NH3+],0,GDB ChEMBL
274643,CCC(O)C(O)(C(C)[NH3+])C(N)(CO)C(=O)[O-],0,GDB ChEMBL
230245,CCN(C=O)c1nc2nc(N)ncc2n1C,1,GDB ChEMBL
23434,C[NH2+]C(C(N)=O)C1(N)CC1O,0,GDB ChEMBL
201442,NS(=O)(=O)c1cc2ncc(CO)nc2s1,1,GDB ChEMBL
263172,C[NH2+]C(C)C1(O)CNCCC1(C)[NH3+],0,GDB ChEMBL
372101,CCc1nc(Br)ccc1CC#N,1,GDB ChEMBL
295889,CCC1(COC)CC2(C)CCCC(C)C1CC2,0,GDB ChEMBL
91221,CCC1C(C[NH3+])CC2(C)NC(=O)C([NH3+])C12O,0,GDB ChEMBL
388242,C#CC1C(C)NC(CO)C[NH+]1C(C)C1CC1,0,GDB ChEMBL
179502,CC12CCCCCC(=[NH2+])N(C1)C2C(=O)[O-],0,GDB ChEMBL
355029,CC=CC1CCC(C)CC(C)C[NH2+]1,0,GDB ChEMBL
222923,CCC1CC(C)C2CC3(CCC3)CC12,0,GDB ChEMBL
222903,CCCC1CC=C(C)CC1=O,1,GDB ChEMBL
194274,CCCc1nc(N)cnc1CO,1,GDB ChEMBL
16478,COc1c(CN(C)C)nsc1CC(N)CC#N,0,GDB ChEMBL
236014,CNc1ncc(CS(N)(=O)=O)c(C#N)c1F,1,GDB ChEMBL
334387,CNc1csc(CCOC(C)CCO)c1C,1,GDB ChEMBL
225023,CCCCC1C(=O)OC2C1CC1OC12,1,GDB ChEMBL
151208,O=C1CC2(C(=O)[O-])OC2C(O)C1O,0,GDB ChEMBL
61646,CC(C1C([NH3+])C1C#N)N1CC(O)C1,0,GDB ChEMBL
48478,N=C1NC(C(N)=O)C2(C1=O)C1CCC2C(=O)O1,0,GDB ChEMBL
204644,[NH3+]CC#CCc1occc1C(=O)[O-],0,GDB ChEMBL
222104,CC1(C#CCC(O)CCC(N)C#N)COC1,0,GDB ChEMBL
251463,Clc1ccccc1C1=CCC2CCC12,1,GDB ChEMBL
284767,CCC(COC)c1c(O)cc(C)cc1I,1,GDB ChEMBL
169054,NC1=[NH+]CCCCCCOCC1O,0,GDB ChEMBL
127725,CCC([NH2+]C1(C)CCCCC(C#N)C1)C(C)[NH3+],0,GDB ChEMBL
113488,CC1CC2OS(=O)(=O)[N-]C(=O)C2C(=O)NC1C,0,GDB ChEMBL
204784,CC(=O)NC1=NC2C[NH2+]C(C)C(C1)C2O,0,GDB ChEMBL
168448,Cc1ccc(C)c(CC(C)(C)C(F)(F)F)c1Cl,1,GDB ChEMBL
120416,CCC(C)(C)NC(=O)C1=CC(OC)C(=O)C1,0,GDB ChEMBL
253600,CN(CC1C2CCC(O)C21C(=O)[O-])C(N)=[NH2+],0,GDB ChEMBL
26390,CC(C)CC(C)(C)C1CC2(C)C(=O)C1CC2C,0,GDB ChEMBL
342388,CCCC1CC2(CC)CN(CC[NH+]2C)C1CC,0,GDB ChEMBL
330541,[NH3+]CC1(O)C(C(=O)[O-])CC(O)C1[NH3+],0,GDB ChEMBL
262591,C#CCCCCC1=[NH+]CC(CO)=CCN1C,0,GDB ChEMBL
3826,COC1CCC(C)=CCC1O,1,GDB ChEMBL
114745,CCCCCOCCC1(C)C[NH2+]C1,0,GDB ChEMBL
147983,CC(C)CC(C)COCC([NH3+])CO,1,GDB ChEMBL
152636,CCC(C(C)C1CC1)C1CCCC1C,0,GDB ChEMBL
333894,C#CC(=O)Nc1nc(NC)c(O)nc1C,1,GDB ChEMBL
84535,[NH2+]=C1NC2Cn3nccc3C(=O)CC2O1,0,GDB ChEMBL
290007,CC1OC(C#N)C(=O)C1C(CO)C(=O)[O-],0,GDB ChEMBL
176426,COC1C2CC[NH2+]C(CCO)CC21[NH3+],0,GDB ChEMBL
65925,CCC1CC2(C)CC(C)C1N2C=O,0,GDB ChEMBL
203322,COC(=O)NC(=O)C(C)C1CO1,1,GDB ChEMBL
124261,CC(C)C1C2OCC([NH3+])CC(=O)NCC21C,0,GDB ChEMBL
266269,C=CC[NH2+]CCN(C)C=C(C)C=O,0,GDB ChEMBL
175896,CC1OCC1[NH+]1CC2C=CCCC1C2,0,GDB ChEMBL
129378,CN1CCCC[NH+](C)CC2CC[NH+]=C21,0,GDB ChEMBL
280993,CC(=O)CNC(=O)C(C)O,1,GDB ChEMBL
319166,C=C1CCCC2CCC(CCC)C12,0,GDB ChEMBL
243882,CCNc1cc2c(scccn1)C(O)CCN2,0,GDB ChEMBL
338953,CC1CCC(C)CC(C)(C)CC(C)C1,0,GDB ChEMBL
126916,CC(C)C1C(CCNC=O)C1([NH3+])CO,0,GDB ChEMBL
303860,CC1CC[NH+]2CC3(N)CC3(CO)C12,0,GDB ChEMBL
305247,CC1CCC(C)(C)CCCCC1C1CCCC1,0,GDB ChEMBL
24029,CC1C2CC1C(C(N)=O)CC(CO)[NH2+]2,0,GDB ChEMBL
67578,C[NH2+]CC1(O)CC(=O)CCC2COC1O2,0,GDB ChEMBL
173719,C#CC(CCC)[NH2+]CC1C2CC(C2)C1CC,0,GDB ChEMBL
1492,CC(=O)OC1CC2[NH2+]CC(C)(C)NC21,0,GDB ChEMBL
234946,NC(=O)CC1(CO)CC1O,0,GDB ChEMBL
382164,CCOC(=O)C#CCOCCNC=O,1,GDB ChEMBL
249810,COC(CO)c1c(NC(N)=O)noc1C,1,GDB ChEMBL
274001,NC(=O)c1nc([N+](=O)[O-])ncc1CO,0,GDB ChEMBL
304592,COCC#CC(O)C(=O)CCOC(C)=O,0,GDB ChEMBL
208598,C[NH2+]C(C)c1cnc(C(O)CO)cn1,0,GDB ChEMBL
146073,C[NH2+]C1C([NH3+])CCC(C#N)C(C)C1C,0,GDB ChEMBL
30359,CCC1(C)C[NH+](C)C(C=O)C=CC1C(C)O,0,GDB ChEMBL
1482,CCC1CC2C3CC(O)C2[NH+]1C3,0,GDB ChEMBL
325860,CCC(C)(CC(C)C)[NH2+]CC(C)C1CC1,0,GDB ChEMBL
161414,CCC1(C(C)C)CC(C)(C)C2CC([NH3+])CC21,0,GDB ChEMBL
116053,CCC(C)[NH+](CC(C)O)CC1(CC)CCC1,0,GDB ChEMBL
383729,CC([NH3+])CCC(C[NH3+])OC(CO)C(C)(C)C,0,GDB ChEMBL
324074,[NH3+]C(C(=O)[O-])C1C(O)C=CCC(O)C1O,0,GDB ChEMBL
345805,CC(O)(C[NH3+])C1[NH2+]CC(O)C1NC(=O)CC[NH3+],0,GDB ChEMBL
101535,COC1(CNC(N)=[NH2+])CCC1=NO,0,GDB ChEMBL
301401,CCC(C)CC1CCC(=O)C2(CCOC2C)C1,0,GDB ChEMBL
214856,CC(O)C1NC2CC2NC1=O,1,GDB ChEMBL
103426,[NH2+]=c1nc2cc([nH]1)CC[NH2+]CCNC2,0,GDB ChEMBL
13871,CCC1C(C(N)=[NH2+])C(N)C(C)[NH+]1C,0,GDB ChEMBL
42617,C1OCC1C[NH+]1CCC(C2CC2)CC1,0,GDB ChEMBL
210137,CCC1(OC)C=CCC(C)=CCC1,1,GDB ChEMBL
120692,CCc1sccc1C(C)(CCC[NH3+])C(C)(C)O,0,GDB ChEMBL
48035,Cn1c2c(c3ccc(I)cc31)CC1(CC1)C2,1,GDB ChEMBL
288520,CCCC1CC(=O)C(C)C(C)C1,1,GDB ChEMBL
160370,CCC(C)CC(C)Cc1cc(I)cc(N)c1O,1,GDB ChEMBL
217391,CNC(=[NH2+])NC1CC(C[NH3+])C1,0,GDB ChEMBL
379139,CC1CCC(C=O)[NH+]1C,1,GDB ChEMBL
259597,CC(=O)C1CC=C(C)C([NH+](C)C)C1(C)C,0,GDB ChEMBL
29217,O=C1NC(C(=O)[O-])C(=O)NCC1O,0,GDB ChEMBL
227779,COC(CO)C1C(=O)CC1(O)C(N)=O,0,GDB ChEMBL
29186,N#CC(N)CC1C(=O)NCC2OC21,0,GDB ChEMBL
259110,CCCC12CC1C(C)OCC(C)CC2O,0,GDB ChEMBL
397941,N#CC1C2CN2C(=O)N1CCO,1,GDB ChEMBL
48201,[NH3+]CC(=O)NC1(CC(O)CO)C=CCC1O,0,GDB ChEMBL
216578,CC(C)(C)C1(C)CC(OC(CO)CO)CC[NH2+]1,0,GDB ChEMBL
26610,CC1C(O)C(O)C(C(=O)[O-])NCS1(=O)=O,0,GDB ChEMBL
115220,C#CC[NH2+]CCCC1=CC(C)(C#N)CC1,0,GDB ChEMBL
44122,CCC(=O)C1CC(C)CC2C(C)(C)CCC12C,0,GDB ChEMBL
279973,CCc1ccc(C(F)(F)F)cc[nH]cc1NC,0,GDB ChEMBL
115228,CCC(CC)CCc1c[nH]c(CO)c1C=O,0,GDB ChEMBL
17274,COC(CC1CC(CO)CC1O)C(C)O,0,GDB ChEMBL
7436,CC(C)C(=O)N1Cc2ccc(C#N)cc2C1=O,1,GDB ChEMBL
367831,C#Cc1c(CC)cc(C)c(Cl)c1CC,1,GDB ChEMBL
264961,CC(CO)C1C2OC2C2CCC[NH+]21,0,GDB ChEMBL
330346,Cc1cc(F)c(F)cc1CC(C)(C)C,1,GDB ChEMBL
204433,CC(C)(CCCC1(C[NH3+])CC1)CC(N)=O,0,GDB ChEMBL
68621,CCCC(OC)C([NH3+])C(C)C#N,0,GDB ChEMBL
305852,COCCC1C2C3C=C(C)C(C3C)C12,0,GDB ChEMBL
283953,NC(N)=[NH+]CC(Cn1cc[nH+]c1N)[NH+]=C(N)N,0,GDB ChEMBL
153683,COC1C2C=CC(CCC(C)(CO)C2)C1[NH3+],0,GDB ChEMBL
361767,CCN1C(CC#N)C2(CCO)OC2S1(=O)=O,0,GDB ChEMBL
316127,C[NH+](C)CCc1oncc1C[NH3+],0,GDB ChEMBL
359194,CC[NH2+]CCCS(=O)(=O)NC,1,GDB ChEMBL
165655,C#CC(CC)(CCCC)c1ccc(Cl)c(Cl)c1,1,GDB ChEMBL
142966,CCC#CC(=O)c1cnc(C)cn1,1,GDB ChEMBL
313774,C=CC(C=C)CCCC=CCCC,1,GDB ChEMBL
143161,CC([NH3+])C1CNC(=O)N2CC(O)C3C(C1)C32,0,GDB ChEMBL
269310,CCCCC1C=CCC([NH3+])C[NH+]1C,0,GDB ChEMBL
181116,Cc1nc2c(c(C)c1N)C[NH2+]C2,0,GDB ChEMBL
276291,CCC(=O)c1c(Cl)nc2c(c1O)CCN2,1,GDB ChEMBL
77361,N#CC1CN1C(=O)C(O)C(O)CO,1,GDB ChEMBL
174833,CC(=O)NCc1nnn(C(N)=O)c1C,0,GDB ChEMBL
38525,CCC(NC)=[NH+]CC[NH+](C)CC,0,GDB ChEMBL
115755,C#Cc1c(Cl)c2ccnn2c2cccc(N)c12,1,GDB ChEMBL
302335,CCC#CCc1cc(Br)c(Br)cc1NCC,1,GDB ChEMBL
147554,C[NH2+]C1CC1C(O)CC=O,0,GDB ChEMBL
383296,N#CC1CCOCC(=O)OCC1O,1,GDB ChEMBL
372625,CCn1c2c(c3cccnc31)C(C(C)C)CC2,0,GDB ChEMBL
18838,CC1(C)COC(CCCO)=N1,1,GDB ChEMBL
101926,CC12CCC(CCC1CCc1ccccc1)C2,0,GDB ChEMBL
252081,C[NH2+]CCC12NCC(C[NH3+])CC1(OC)C2O,0,GDB ChEMBL
236030,O=C(CO)N1C2CCNS(=O)(=O)C21,0,GDB ChEMBL
190026,CC(O)C1NC2=NC(C(=O)[O-])CC2C([NH3+])C1C,0,GDB ChEMBL
124100,CCCc1c(F)cc2cocc2c1C,1,GDB ChEMBL
157731,COC1(C[NH2+]C(C)CO)CC1,1,GDB ChEMBL
116661,COC(C)C([NH3+])C(C)OCCO,0,GDB ChEMBL
173679,C=CC1CC2CC(C1)C(OC)C2O,1,GDB ChEMBL
209693,N#CC(O)C(=O)N1CCN=C1N,1,GDB ChEMBL
299555,CC(=O)C1C=CC[NH2+]C1,1,GDB ChEMBL
389402,CCC(O)C1CCC(C(N)C(C)O)[NH+](C)C1C,0,GDB ChEMBL
89116,CCC(C)C(O)C(O)C[NH3+],0,GDB ChEMBL
199072,N#CC(CO)(NCCO)C(=O)CO,1,GDB ChEMBL
120842,CCCC1C2(C)CC(C)CC1(C)C([NH2+]C)C2,0,GDB ChEMBL
20114,C[NH2+]CC1CC=C2C(CC(C)C)C(C)(C)C21,0,GDB ChEMBL
181145,CC1CCCCC(=O)C12CC=CC2,1,GDB ChEMBL
68464,O=C1CC2C[NH2+]C3CC1C2C3O,0,GDB ChEMBL
215857,COC1C2CC3C[NH2+]C1C3O2,0,GDB ChEMBL
124740,OCC1COC2CC[NH+]1C21CC1,0,GDB ChEMBL
136674,CCCC1(C)C(=O)C2(C)OC1CC2[NH2+]C,0,GDB ChEMBL
37599,CCc1cc(NC)cnc1Br,1,GDB ChEMBL
367793,CC[NH2+]C1C=C2CCCC3CCC1C23,0,GDB ChEMBL
136468,CNC(=[NH2+])Nc1cnc(C)nn1,0,GDB ChEMBL
87116,CC1CCCCC1=CC=CC1CC1,1,GDB ChEMBL
118675,NC(CO)=NC(C(=O)[O-])C(O)CC=O,0,GDB ChEMBL
280690,CC(C)CC1(C)CCC1CCNC(N)=O,1,GDB ChEMBL
290120,CC12CC(CO1)S(=O)(=O)N(CCO)C2=O,0,GDB ChEMBL
344313,CCCC1C=CCc2cc(F)cc(F)c21,1,GDB ChEMBL
136541,CCCCNc1ccc(CO)c(N)c1I,1,GDB ChEMBL
375907,CCC1(CC)CC(C)=CC2CC(C)C[NH+]2C1,0,GDB ChEMBL
13840,COC(=O)NC(=O)NC(=N)NCC#N,1,GDB ChEMBL
61849,NC(=O)CCN1CC1CO,1,GDB ChEMBL
127708,[NH3+]C1CC(=CCN2CCC([NH3+])C2)C1,0,GDB ChEMBL
330143,[NH3+]C12CC(CO)(C1)NC2=O,0,GDB ChEMBL
181544,CCCCC1CC2(N)C(C#N)C2[NH2+]1,0,GDB ChEMBL
246439,C#Cc1c(F)ccc(C(C)C)c1C(C)(C)CC,1,GDB ChEMBL
34305,CCCC1C(C)CC(C)CCC1CC(C)CC,0,GDB ChEMBL
44119,COCC1(N)C2C(C(N)=O)N=C(N)C21O,0,GDB ChEMBL
317142,CC1C2CCCC1[NH+]1C(C)C2CC1(C)C,0,GDB ChEMBL
204853,N#CC(N)CC1=NC(CO)C(C(=O)[O-])CCO1,0,GDB ChEMBL
398991,CS(=O)(=O)CC1C(O)C(C(N)=O)C1O,0,GDB ChEMBL
389373,CC([NH3+])CCc1cccc(C#N)c1C(N)=[NH2+],0,GDB ChEMBL
340507,CCN=CNC(=O)NC(C)C(C)(C)O,1,GDB ChEMBL
75413,CCC1CCC2CC(C)C=CCC2C1,0,GDB ChEMBL
101016,CC(=O)N1C(=N)CC(O)(CC(N)=O)CC1=N,0,GDB ChEMBL
202810,COCC1CC(O)C2NS(=O)(=O)C2N1C,0,GDB ChEMBL
17490,CC1NC(C)C(O)C2CC(C[NH2+]C2CO)C1=O,0,GDB ChEMBL
321802,CC#CC(C)C1CC[NH2+]C1CCC(C)(C)C,0,GDB ChEMBL
383048,CCCCC1(C)CC2C3CC(C2C1)C(C)(C)C3,0,GDB ChEMBL
321990,CNC12CCCNC(=O)C13OC3COC2=O,0,GDB ChEMBL
156107,CC1CC2(CCC(O)CC1[NH3+])CC2,0,GDB ChEMBL
115986,C#Cc1c(O)cc(CC)c(CCCC)c1F,1,GDB ChEMBL
42583,C#CCc1c(C)c(I)cc2c1C(=O)CC[NH2+]C2,0,GDB ChEMBL
62093,[NH3+]C1Cc2cc(CO)cc(I)c2C2CC12,0,GDB ChEMBL
290117,CCCC=C1CC2[NH2+]C1CCC2C,0,GDB ChEMBL
232093,COC1CCC(C)(C)C1CCN1CC1C,1,GDB ChEMBL
182918,NC12C(CC([NH3+])C(=O)[O-])OCC1(O)C2[NH3+],0,GDB ChEMBL
16526,CC(C)=CC(C)N1CC2CC1C[NH2+]2,1,GDB ChEMBL
251934,CCCOC1CCC=C1C=O,1,GDB ChEMBL
68659,C#CC(C)CC(CCOC)C1CC1,0,GDB ChEMBL
239139,Cc1cc(C)c(C2=CC(C)CCC2)cc1C,1,GDB ChEMBL
113521,C#CC1C(CC(C#N)NCCC)=CCC1O,0,GDB ChEMBL
181175,CN1CC(=O)N(CS(N)(=O)=O)C1=O,1,GDB ChEMBL
392487,C=C(CC)CCC1CC([NH2+]CC)C1,0,GDB ChEMBL
191547,C#Cc1c(C)cc(Cl)cc1C1(CC)CCCC1,1,GDB ChEMBL
62775,CNC(=O)C(O)C(=O)OCc1nc(O)oc1C,1,GDB ChEMBL
182247,[NH3+]C1C(O)C(O)C(C(=O)[O-])C1(O)C(=O)[O-],0,GDB ChEMBL
100712,CC1OC(=O)CC2C3C1[NH2+]CC23N,0,GDB ChEMBL
236709,COCC1C(C[NH3+])C(O)C=CC1(C)C,0,GDB ChEMBL
6112,COC1C(C)[NH2+]CC(O)C(C=NO)C1C=O,0,GDB ChEMBL
301387,CC1CC(CC[NH3+])OS(=O)(=O)N1,1,GDB ChEMBL
34747,CCC1(CC(=O)COC(C)=O)CC(=N)NC1=O,1,GDB ChEMBL
294440,CC(C[NH3+])(Cn1ncnc1O)OC(=O)CCO,0,GDB ChEMBL
204172,CCC1CCNC(=O)NC1C(C)(C)C(F)(F)F,0,GDB ChEMBL
278861,CCCc1cc(Cl)c(C)cc1C(C)C(C)(C)C,1,GDB ChEMBL
389506,Cc1nc(N2CCOC(=O)C2=O)no1,1,GDB ChEMBL
200587,CCC(C)n1cc2c3c(c(C)ccc31)N=C2N,0,GDB ChEMBL
189756,CC(=O)Nc1ocnc1C#CC(C)O,1,GDB ChEMBL
30363,COC1CC([NH2+]CCO)C(C(N)=[NH2+])C1,0,GDB ChEMBL
109757,NS(=O)(=O)CC1(C[NH3+])CNC(=O)O1,0,GDB ChEMBL
38739,COc1ccc2c(c1F)CCC(C)CC2C#N,1,GDB ChEMBL
275594,N#CCNC1CC[NH2+]CC1,0,GDB ChEMBL
106600,[NH3+]C1C2COCCNC1(C(=O)[O-])C2O,0,GDB ChEMBL
208551,CC(C)C(C)C1CC(C(C)CO)CCCC1C,0,GDB ChEMBL
2373,COC1C(O)CC2N=C(N)OC21,1,GDB ChEMBL
117404,CC(C1CN(C)C(=O)CO1)C(C=O)N(C)C=O,0,GDB ChEMBL
38727,C#CC1C2CC[NH+](C2)C(C)CC1([NH3+])CC[NH2+]C,0,GDB ChEMBL
315198,CCC(NC1=CC(=O)COC1)C(=O)OC,1,GDB ChEMBL
372605,CCC(CC(C)CC1(C)CC(C)(O)C1)OC,1,GDB ChEMBL
292311,Nc1cc(Cl)c(O)nc1CC[NH3+],0,GDB ChEMBL
31788,CC(C)(C)OC1C2CC(NC=[NH+]2)C1OCC[NH3+],0,GDB ChEMBL
300497,CCc1c(Br)c(C)cc2c1CCC(C)(C)O2,1,GDB ChEMBL
255341,CC(O)C1C2CC(CCC([NH3+])CN)(C2)[NH+]1C,0,GDB ChEMBL
108151,CCC1CC(C)C2C1C(C(=O)[O-])C2(C)C,0,GDB ChEMBL
153714,CC(=O)OCS(=O)(=O)[N-]C(=O)CN,0,GDB ChEMBL
281216,OCCOc1ccc(Br)c2cn[nH]c12,1,GDB ChEMBL
345467,CC(C)=C(C[NH2+]C1CC1)C1CCC1,0,GDB ChEMBL
89080,CC(C)CC1C2[NH2+]C(CO)C(C)OC12,0,GDB ChEMBL
255337,Nc1[nH]cc(C2C(O)C2C(=O)[O-])[nH+]1,0,GDB ChEMBL
314965,C#CC1c2c(Cl)cc(C)nc2CCC1O,0,GDB ChEMBL
161935,COC(C(C[NH3+])CCO)S(N)(=O)=O,0,GDB ChEMBL
276084,C=CC[NH2+]CCN1CC1C1CCC1,0,GDB ChEMBL
395658,CC1OC(=O)N2C3CNC(=O)C3(N)C12,0,GDB ChEMBL
198694,CC([NH3+])C[NH+]=C(N)NCC1(O)CCC1,0,GDB ChEMBL
171291,COC(=O)NC1(C)CC(=NO)C1,1,GDB ChEMBL
26004,CNC(=O)C1CC(C)C2(S(C)(=O)=O)CN12,0,GDB ChEMBL
80234,CNC1(C(N)=O)CC(C(O)C(C)O)OC1=O,0,GDB ChEMBL
31054,CCC1(C[NH2+]CC(C)(C)O)CC2OC2C1,0,GDB ChEMBL
242972,CCOC(CC#N)(C(=O)[O-])C(O)(C[NH3+])C[NH3+],0,GDB ChEMBL
362848,CCC1(CC)CCCC1([NH3+])c1ccccc1F,0,GDB ChEMBL
240793,C[NH+](C)CC1C2NC(=[NH2+])C1(N)CC([NH3+])C2O,0,GDB ChEMBL
360865,CCC(COC(N)=O)C([NH2+]C)C(=O)NC(=N)N,0,GDB ChEMBL
334737,CCC1NC(C#N)C(OS(N)(=O)=O)C1O,1,GDB ChEMBL
358599,C#CC(C#C)C(C)c1ccc(C)cc1F,0,GDB ChEMBL
38517,CCCC1CC1C1C=CCO1,1,GDB ChEMBL
342349,CCc1cccc(C2C3CCC2C3)n1,0,GDB ChEMBL
191688,CCC1CC(O)C(O)CC1C,1,GDB ChEMBL
305853,C=C(C(C)O)C(C)CC([NH3+])CCC,0,GDB ChEMBL
305794,CC1[NH2+]CC(O)C2C(C)([NH3+])C12CS(N)(=O)=O,0,GDB ChEMBL
107656,CCCC1C2[NH2+]CC([NH3+])C12,0,GDB ChEMBL
348856,CC1=CCC2C(C1)N2CCO,0,GDB ChEMBL
306352,CCC1C(C#N)CC2CC(C)(C)C[NH2+]C2C1C,0,GDB ChEMBL
305995,CC(C)C[NH2+]C(C)CCCC1CC1[NH3+],0,GDB ChEMBL
81006,COCC1CCNC(=O)O1,1,GDB ChEMBL
4969,C[NH+]1C2CC(O)C(=O)N3C=NC(C23)C1C(=O)[O-],0,GDB ChEMBL
26314,CC1C(C[NH3+])CNC(=O)C2CC21,0,GDB ChEMBL
396144,CCOc1nc(OC)cc(I)c1C#N,1,GDB ChEMBL
281973,C#CC(C)(C)C(C[NH3+])CO,0,GDB ChEMBL
292694,Cc1occ([O-])c1CCC(C)[NH3+],0,GDB ChEMBL
159881,CC(C)(COC(N)=O)C(=O)C(N)=O,1,GDB ChEMBL
195179,CCC(C)CC1(Nc2cccc(I)c2)CC1,1,GDB ChEMBL
152533,CC1OC1C(O)C1NC(=O)CC1(C)O,1,GDB ChEMBL
362571,O=CN1CC[NH2+]CCC(O)C1=O,0,GDB ChEMBL
103454,C#CCCC1CCCC1[NH2+]C(CC)C1CC1,0,GDB ChEMBL
165985,CCC(=O)Nc1c(Cl)cccc1CC#N,1,GDB ChEMBL
367776,CCC1(OC)CCC(C([NH3+])CO)CC(C)(C)C1,0,GDB ChEMBL
204673,OC1C[NH2+]CCOCCC2NC12,0,GDB ChEMBL
174202,CCC1(C(C)C=NO)C(CO)[NH2+]C1C(=O)[O-],0,GDB ChEMBL
180054,CCCC#CC(CO)CCC,1,GDB ChEMBL
296417,CC(=O)c1cc(OC(C)(C)C)co1,1,GDB ChEMBL
73247,CC1C2CCCC1(C)CC(C)(C)O2,0,GDB ChEMBL
115436,CNC(=O)CC(=O)NC(=N)N,1,GDB ChEMBL
280997,CC(O)C1C(C)C1OC(=O)CN,1,GDB ChEMBL
259373,[NH3+]C1C(O)C[NH2+]CC1c1cc[nH]n1,0,GDB ChEMBL
203818,CCC1CC2(CC)COCCCC1(C)C2,0,GDB ChEMBL
136088,CC(=[NH2+])Nc1c(C[NH3+])c(Cl)cc2c1C(O)CO2,0,GDB ChEMBL
215366,CC(C)(CCC(F)(F)F)C1C=CC=CC=C1,0,GDB ChEMBL
13786,CC(C1CC1O)N1CC2CC([NH2+]2)C1=O,0,GDB ChEMBL
190332,N#Cc1cc(F)c(N)c(CCO)c1N,1,GDB ChEMBL
261425,C#CCCC(C)C(C)[NH+]1CC1C,0,GDB ChEMBL
50075,CC1Cc2ccccc2CC2CC=C1C2C,0,GDB ChEMBL
222163,CCCC(C[NH2+]C)NC(=N)C(C)(O)C#N,0,GDB ChEMBL
209709,CC(=O)N(CC#N)CC1([NH+]=C(N)N)COC1,0,GDB ChEMBL
127231,CNC(CC(N)=[NH2+])C(=O)c1ncc[nH]1,0,GDB ChEMBL
241080,CC1OCC[NH2+]C1C1CC1(C#N)C=O,0,GDB ChEMBL
90305,CCCC1CC2C3CC[NH2+]C1C32,0,GDB ChEMBL
76466,C[NH2+]CC1C(C)OC2CC2C1CO,0,GDB ChEMBL
313757,CCCOc1nc(O)sc(N)nccc1NC,0,GDB ChEMBL
35488,CC#CC(C)(N)C[NH2+]CCO,0,GDB ChEMBL
76108,CC(C(N)=O)N(CC(O)C[NH3+])C(=O)C(=O)[O-],0,GDB ChEMBL
305066,CC1(C(=N)N2C(=O)CNC(=O)CC2=O)CO1,1,GDB ChEMBL
103545,CN(CC1(O)CC(OCC=NO)C1)C(N)=[NH2+],0,GDB ChEMBL
288680,Cc1sc(C(O)C(=O)[O-])cc1C(N)=[NH2+],0,GDB ChEMBL
345474,CC(O)C1OC(C)(C#N)CC(C[NH3+])C1O,0,GDB ChEMBL
95559,CCC(=O)C(=N)Nc1cncc(C=O)c1,1,GDB ChEMBL
307996,CNC(C([NH3+])C(=O)[O-])C(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
294810,O=C1CC2[NH2+]CC3C(CO)C3C2N1,0,GDB ChEMBL
305481,N#CCC1C(COCC[NH3+])CC2CN21,0,GDB ChEMBL
5297,CNC(=[NH2+])OCCC1OC(=O)NC(=O)C1C[NH3+],0,GDB ChEMBL
7832,Cc1c(CC2OC(C[NH3+])CNC2=[NH2+])ncn1C,0,GDB ChEMBL
124176,[NH3+]CCN1CCCCC12CC([NH3+])C2,0,GDB ChEMBL
5258,CC(=O)C[NH+](C)CCCCNC=O,0,GDB ChEMBL
398970,CC(O)C(=O)NCC1C2C(=NO)CCN12,0,GDB ChEMBL
41636,N#Cc1n[nH]cc(CC(=O)[O-])c1=N,1,GDB ChEMBL
308288,C[NH2+]C(C)C1CCC2(C)OC2C1C,0,GDB ChEMBL
191284,N#Cc1c(NC(N)=O)n[nH]c1N,1,GDB ChEMBL
394903,CC1[NH2+]CC1OC(CO)CC[NH3+],0,GDB ChEMBL
216487,CC1(C)C(C2CC=CC2)N1CC(F)(F)F,0,GDB ChEMBL
31375,CC[NH2+]C1CC2C(CO)OCC2(C)C1,0,GDB ChEMBL
118724,CN1C(=O)[N-]S(=O)(=O)C2C(CO)[NH2+]CC21,0,GDB ChEMBL
132248,NC(=O)C1CS(=O)(=O)C2C(O)C2N1,0,GDB ChEMBL
351142,C#Cc1cc(Cl)c2cnc(N(C)C=N)cc2c1,1,GDB ChEMBL
97086,C#CC[NH+]=C(N)CCCCOC,0,GDB ChEMBL
27796,N#CC1(C(=O)[O-])[N-]S(=O)(=O)C1OCC[NH3+],0,GDB ChEMBL
226281,O=C1CC23C[NH2+]CCCC2(CCN1)C3,0,GDB ChEMBL
377959,CN(C(=O)C1CCC1C[NH3+])S(C)(=O)=O,1,GDB ChEMBL
115704,CCC1C2CC(CC3(C)CCCCC23)C1(C)C,0,GDB ChEMBL
33844,C=CC(OC)C(=O)NC(=N)C(C)C,1,GDB ChEMBL
206818,C#CCC(=O)C1(C2CCCC2)CC1,1,GDB ChEMBL
348659,CCC1C(C)C2CCC1C2CC(C)C,0,GDB ChEMBL
75431,CC(C)CC(C)C12CN1C(C#N)CC2C,0,GDB ChEMBL
395947,CC(C)C(CC1CCCCCC1C)C(C)C,0,GDB ChEMBL
381481,CCCCC12CC(C)C(CCC)C1C2,0,GDB ChEMBL
280630,CCCC=C(C)C(C)C(C#N)CO,0,GDB ChEMBL
175514,C#CCC1CCC(C)(CC)CC1C1CCCC1,0,GDB ChEMBL
28978,C#CCCC(=O)NC1C=C(C#C)CC1,1,GDB ChEMBL
84999,CCOC(=N)C1C[NH2+]C(C(C)C)CO1,0,GDB ChEMBL
354444,CCC1(CC)C[NH+](CC2CC2)C1(C)C,0,GDB ChEMBL
389090,CCCC#CC(O)C(C[NH3+])C(C)CC,0,GDB ChEMBL
372598,CC(O)CCn1nc(NC=O)c(C(=O)[O-])c1N,0,GDB ChEMBL
218327,CC1CC2CC2[NH2+]CCN2CC=CC(C2)O1,0,GDB ChEMBL
310176,CC1OCC2CCCCC=CC21,0,GDB ChEMBL
232077,CCCCC#CCC1C=CC(C)CC1,1,GDB ChEMBL
360814,CC1=CC2C3Cc4cc(C)ccc4C23C1,0,GDB ChEMBL
62096,C[NH2+]CC(O)C(N)C(CC(O)C[NH3+])OC,0,GDB ChEMBL
215355,C=CCN(C=CC(=O)OC)CC=O,1,GDB ChEMBL
243749,NC(=O)C12CCC3COC1C32O,0,GDB ChEMBL
295899,CCC1=CCCC(C)[NH2+]CC1,0,GDB ChEMBL
39680,CC(C[NH3+])N(C)CC(=N)NC(=O)c1ccns1,0,GDB ChEMBL
70822,OCC1C[NH2+]C2CCC(C2)N1,0,GDB ChEMBL
116355,CC(C)C1CCC(C)(C)C(CO)CC1CO,0,GDB ChEMBL
319327,CC(C)OCC1NS(=O)(=O)C1C[NH2+]CCO,0,GDB ChEMBL
148544,C[NH2+]CC(O)CCn1nnnn1,0,GDB ChEMBL
46879,CC1C=CC2CCCC=CCC2C1C,0,GDB ChEMBL
120867,CCNC(=NC)Nc1nc(CC(N)=O)no1,1,GDB ChEMBL
277847,Cc1c(Cl)c(CC(O)(C[NH3+])CC#N)c[nH]c1=O,0,GDB ChEMBL
324277,CCC1N(C)C(=O)C(O)CCOCCC1(C)C,1,GDB ChEMBL
43560,CCCCC[NH+]1CC2(C)CCCC2(CC#N)C1,0,GDB ChEMBL
22620,COC(C)CCCNc1cc(C)sc1O,1,GDB ChEMBL
114415,CCC1=CCCC(C)C1C(C)(C)C,0,GDB ChEMBL
62556,CC1C(O)C(C[NH3+])C2C(C(N)=O)N12,0,GDB ChEMBL
275652,CC(C)(O)CN=C(NCC(=O)[O-])C(=O)[O-],0,GDB ChEMBL
258287,CC1C=CC(OCC#N)C1,1,GDB ChEMBL
62595,C#CC[NH+](CCC1(CCC)CC1)CC(C)C,0,GDB ChEMBL
76495,CCOCC(O)C(=N)NCC#N,1,GDB ChEMBL
252065,Cc1c(I)ccc2c1NC(C)(C)CCCOC2,1,GDB ChEMBL
206952,CC1C(=O)C2(CO)C(O)C(=O)NCC1N2C,0,GDB ChEMBL
300493,NC(=O)C1CC(=NO)C(C=O)N=C(N)N1,0,GDB ChEMBL
42560,CC=CCCC(=CC)C(C[NH3+])CO,0,GDB ChEMBL
343982,[NH3+]C1C2CC(Nc3ncns3)C(O2)C1CO,0,GDB ChEMBL
71980,CCC1C=CC(CC2CC2)C#CCNC1=O,0,GDB ChEMBL
67822,CCC1C2C(O)CN(C)C(=O)C(=O)C12O,0,GDB ChEMBL
332678,CC(O)Cc1cnc(=[NH2+])[nH]c1,0,GDB ChEMBL
76516,NC(=O)COCC(=O)CCO,1,GDB ChEMBL
289955,CCC(C)C(C)C1CC(C)CCC1C(C)CC,0,GDB ChEMBL
230693,CCOC1C2CC2CN2CC12,0,GDB ChEMBL
372542,C1C[NH2+]C2(CC2)COC2CC2C1,0,GDB ChEMBL
24739,CC1CCC2CCCC2C(C(C)C)O1,0,GDB ChEMBL
667,COCC1(C(N)(C[NH3+])C([NH3+])C(=O)[O-])OC1C,0,GDB ChEMBL
389628,Nc1c(S(=O)(=O)[O-])csc1C(=O)[O-],0,GDB ChEMBL
286260,Cc1ncnc(C2=NCCCCO2)c1C#N,0,GDB ChEMBL
306415,COCCC(=O)CC(COC=N)C(=O)[O-],0,GDB ChEMBL
17107,CCC(C)C(=O)C(C)(C)C1CC(C)CC1CC,0,GDB ChEMBL
174857,[NH3+]CCC1CCC(=O)O1,1,GDB ChEMBL
259580,CCC(C)C1(C(CC)C(C)(C)C)CCCC1,1,GDB ChEMBL
5311,Cc1c2cc(c(I)c1N)CCOCCCC2C,0,GDB ChEMBL
309669,CN=C(N)NC(=O)C(CC[NH3+])C(N)=O,1,GDB ChEMBL
303338,C=CCC(C(=C)C)C(C)CC(=C)C,0,GDB ChEMBL
201489,CC[NH2+]C1(C(C)CC(C)C)CC1,0,GDB ChEMBL
293784,CCCC#CC(C)CC1CCCCC1,1,GDB ChEMBL
277632,C1CC2CC3CC[NH+](C(C1)C2)C(C1CC1)C3,0,GDB ChEMBL
182532,CC12NC(C#N)CCC1OC(=O)NC2=O,0,GDB ChEMBL
126655,CCC1CCC2(C)CC(O)C(=O)NCC12,0,GDB ChEMBL
189877,CC1OC2C(O)C1NC2(C[NH3+])C(=O)[O-],0,GDB ChEMBL
367796,C=CC1C(=O)C(O)CCOCC1O,0,GDB ChEMBL
203298,C[NH2+]C1(C(=O)[O-])CC1[NH+]=C(N)N,0,GDB ChEMBL
167344,CCC1(CC)OC(=O)C2CC1C(N)=[NH+]2,0,GDB ChEMBL
319183,COCC(C[NH3+])Oc1ccc(C)[nH]c1=[NH2+],0,GDB ChEMBL
21834,NC(=O)CC1([NH3+])CCS(=O)(=O)NC1,0,GDB ChEMBL
192575,CCC(=O)NC(CC)c1c[nH]c(O)c1NC=O,0,GDB ChEMBL
305546,CC1CCC2C3C[NH+]1CC23C,0,GDB ChEMBL
71272,CC1NC(C#N)C(N)CC(C[NH3+])C1C,0,GDB ChEMBL
365756,N=C1CC(C(O)C[NH3+])OCC(N)C(=O)O1,0,GDB ChEMBL
369877,NC(=[NH2+])CC1C(O)C(=O)N2CC12,0,GDB ChEMBL
250562,CCCC1CC(CC)C2(C)CC(C)C1C2,0,GDB ChEMBL
32000,CC1([NH3+])C2C=CC(c3ccccn3)C21C,0,GDB ChEMBL
299179,CCC1=Cc2ccc(F)c(F)c2CCC1,1,GDB ChEMBL
207271,CC1(C)CNC(=O)NC=CC1O,0,GDB ChEMBL
157382,CC1(C#N)C(O)C2OC(=O)NC1C2[NH3+],0,GDB ChEMBL
204359,CCC([NH3+])C[NH+]1CC=C(C)CC2(C)CC2C1,0,GDB ChEMBL
64100,CC(C)C(O)C(CN1CC1)OCC(=O)[O-],1,GDB ChEMBL
358220,CCC(=O)N(CC[NH3+])C12CCC(CC1)CC2,0,GDB ChEMBL
20089,CC(CC[NH2+]CC#CCOC(C)CO)=NO,0,GDB ChEMBL
292576,CCCCC#CC1CC(CC)C=C1C,0,GDB ChEMBL
383053,CC(C)Cc1ccc(C2CC2)cc1Br,1,GDB ChEMBL
136043,C=CC1(C(C)C(CO)C(C)[NH3+])CC1,0,GDB ChEMBL
17468,CC1CC2Cc3ccccc3CCC=CC12,0,GDB ChEMBL
23481,CCC(C)C1CC2=CCCC2C1,1,GDB ChEMBL
332682,Cc1c(N)nc(CNCC[NH3+])n1C(C)C,0,GDB ChEMBL
116638,CCC12CC([NH2+]C)C(OCC[NH2+]C1CCO)O2,0,GDB ChEMBL
299559,CNC(C[NH3+])C(O)CCC(NC(C)(C)C)=[NH+]C,0,GDB ChEMBL
109198,C[NH+]1CC(C)(CO)CC2NC(=O)C3C1C23O,0,GDB ChEMBL
137132,[NH3+]C(C(=O)[O-])C1C(O)C(O)C(O)C1O,0,GDB ChEMBL
233921,CCc1c(C[NH3+])cc(Cl)c2c1CCCC2,1,GDB ChEMBL
222532,COCc1cccc2ccccc12,1,GDB ChEMBL
387228,C#CCC1CCC(CC#C)CC(OC(C)C)C1,0,GDB ChEMBL
257551,CN1CC(O)CNC2C(=O)OC2CS1(=O)=O,0,GDB ChEMBL
34984,C=CC(O)C1OC1C(=O)NCC[NH3+],0,GDB ChEMBL
48008,CC1OC23CC2C1CCNC3=O,0,GDB ChEMBL
388444,C#Cc1cc(Br)cc(CC(=O)C(C#C)C#N)c1,1,GDB ChEMBL
386577,CC(C)C1CCCNC(=O)CC(=O)CC1(C)C,0,GDB ChEMBL
271840,O=C1OC2CC3OC(CNC13)C2O,0,GDB ChEMBL
290123,CC1(C(CO)C([NH3+])CN)COC1,0,GDB ChEMBL
18945,CCC1C([NH2+]C(C)C)C1(O)CO,0,GDB ChEMBL
273433,CNc1cc(CC(C)(C=O)C=O)on1,1,GDB ChEMBL
159839,C#CC(C)Nc1cccnc1,1,GDB ChEMBL
34946,C#CC1(C)CC(=O)CCC([NH+](C)C)CN1,0,GDB ChEMBL
218344,C[NH2+]C(C)C1(O)CCNC(=O)C(OC)C1OC,0,GDB ChEMBL
208276,COC1CC2CC1CC2(C)O,1,GDB ChEMBL
86680,C#CCCC1(OC)CC([NH3+])C1,0,GDB ChEMBL
62830,CCCC(C)(C)CC(C)(CC)C1CCC1,0,GDB ChEMBL
95622,C#CC1C(C)CCC1(C)C1(C[NH+](C)C)CO1,0,GDB ChEMBL
161824,CCC(C)(C)C(C)Cc1sc(C)nc1C(C)C,1,GDB ChEMBL
390096,CN(CCO)C(=N)C(N)=O,1,GDB ChEMBL
305463,CC(COC=O)CC(O)CC(N)=[NH+]C1CC1,0,GDB ChEMBL
290300,C#CC(C=O)(CC(C)C#N)OCC(=O)[O-],0,GDB ChEMBL
110235,CCC1NC(=O)C(O)COCC2(O)CC12,0,GDB ChEMBL
6107,CC1CC([NH2+]CCC(=O)[O-])C(C(=O)[O-])C(=N)O1,0,GDB ChEMBL
358466,CC1C[NH+](C)C(CCO)CC(=N)OCO1,0,GDB ChEMBL
330771,CCOC(=O)C1NCCC1[NH3+],1,GDB ChEMBL
286304,COC(=O)C1C(C[NH3+])C2CCOCC1(C[NH3+])O2,0,GDB ChEMBL
321431,CCC1C=C(C)C2(C1)CC2C[NH2+]C,0,GDB ChEMBL
57265,C#CC(C)(C)[NH2+]CC1(OCC)CCCC(C)C1,0,GDB ChEMBL
79249,CC1C=CC(C(=O)[O-])[NH2+]C1C,0,GDB ChEMBL
374315,NC(N)=[NH+]C1C2CC(C(=O)N2)C1N,0,GDB ChEMBL
84441,CC1=CC(C)C(C2OCCO2)CC(C)(C)C1,1,GDB ChEMBL
81106,CS(=O)(=O)NC(=N)C1COCCN1,1,GDB ChEMBL
80336,Cc1nc(CCC#N)cc(I)c1C1COC1,1,GDB ChEMBL
355281,CCCCC(=N[O-])c1c(CO)ccnc1Br,0,GDB ChEMBL
215845,CC([NH3+])CC(C)CNC(=O)C1COC(C#N)O1,0,GDB ChEMBL
84867,C#CC1=CC(C)(C#N)C(CCC)C1,0,GDB ChEMBL
381458,CCOC1CC=C2CCCC21,1,GDB ChEMBL
349466,CC1(CCCn2ccc(C[NH3+])c2)CCCCC1,1,GDB ChEMBL
64294,N=C(N)N1CCOC(=NC(CO)C(N)=O)C1=O,0,GDB ChEMBL
163420,COC(CCO)C1CC[NH+]=C1N(C)C,0,GDB ChEMBL
277891,CC(C)CNC(=O)c1cc(C[NH3+])c(C(N)=O)o1,0,GDB ChEMBL
38716,NC(=[NH2+])N(CCO)C1Cn2c1ccnc2=O,0,GDB ChEMBL
281987,C#Cc1cc(=O)[nH]ccc(C)ccc1C,0,GDB ChEMBL
107672,CC1(C(=O)[O-])CC2(CO1)C1C([NH3+])CC(=O)N12,0,GDB ChEMBL
331182,C#CC1=CC[NH+](CC(CO)C(N)C#C)CC1,0,GDB ChEMBL
181631,NC(=O)C1[NH+]=C(N)CNC(=O)C1CO,0,GDB ChEMBL
287368,CCCC1CC[NH+](C)CCc2ccc(Br)cc21,0,GDB ChEMBL
11370,[NH3+]CC1C2NCCS(=O)(=O)[N-]C(=O)C12O,0,GDB ChEMBL
215321,CC12CCC[NH2+]CC1C[NH2+]C2,0,GDB ChEMBL
278167,C#CC(OC(=O)NC(N)=O)C(N)=O,1,GDB ChEMBL
317150,CCC1(O)CC(C)=CC2C(O)C21C(=O)[O-],0,GDB ChEMBL
36159,CCC1(OC)CC2CC[NH2+]CC(=O)C1(CC)C2,0,GDB ChEMBL
351145,CN(C(=N)NCC(=O)[O-])C(=O)C1(N)C[NH2+]C1,1,GDB ChEMBL
126629,NC(=[NH2+])C1OC(C(=O)[O-])C([NH3+])C1CC(N)=O,0,GDB ChEMBL
351287,CCC(=O)NC(C)=NC(CO)C(=O)C(=O)[O-],0,GDB ChEMBL
284710,CCn1c([O-])c(O)nc(NC(N)=[NH2+])c1=O,0,GDB ChEMBL
136146,CN(C=O)C(=O)C1CC(C)([NH3+])CC(=O)NC1=O,0,GDB ChEMBL
290297,COC1C2OCC[NH+](CC2O)C1C,0,GDB ChEMBL
361654,C[NH+](C)C(CNC=O)C1CC(C)(C)CO1,0,GDB ChEMBL
354430,CCCC1(C=O)C(NC)C1[NH+]=C(N)N,0,GDB ChEMBL
136672,CCn1ccc(C2CCC(CC)(CC)C2)c1,1,GDB ChEMBL
378281,CCC1OC2CC(=O)C1CC(=[NH2+])N(CC)C2C,0,GDB ChEMBL
203097,NC(=O)C1CNC1=[NH+]CC(O)C(=O)[O-],0,GDB ChEMBL
63142,NC(=[NH2+])C(COCCCCC=NO)NC=O,0,GDB ChEMBL
368542,N#CC1(C(NCS(=O)(=O)[O-])C(N)=O)COC1,0,GDB ChEMBL
123024,[NH3+]CC(CCOC=O)C1(n2ccnc2)CC1,0,GDB ChEMBL
363160,CCC(C[NH3+])C(C)(C)CCC1CN1CC,0,GDB ChEMBL
382197,CCCC1(CO)CC(N(C)C(C)=[NH2+])CO1,0,GDB ChEMBL
184238,C[NH2+]CCC(=CC#N)C(C)C(=O)[O-],0,GDB ChEMBL
308142,CCC(C)C1C2C=CCN(C)C(=O)C21C,0,GDB ChEMBL
265519,C[NH+]1CC2CCC1CC[NH2+]CCOC1CC21,0,GDB ChEMBL
155159,CC1CCC(O)C(C)([NH3+])C1,0,GDB ChEMBL
18866,CC1CC(CO)C(C(=O)[O-])OC1C(O)C(N)=[NH2+],0,GDB ChEMBL
240509,CCC(C(C)C)C(c1ccccc1I)C(C)C,1,GDB ChEMBL
247329,Cc1nc2scc(C[NH2+]C(C)C)c2c(C)c1Br,0,GDB ChEMBL
17338,CCCc1c(C)c(Br)cc(C2CN2)c1CC,1,GDB ChEMBL
380269,CCC1CNC(=O)COC1,1,GDB ChEMBL
115969,CC1CCCC(C)(C(=O)OC(C)C(N)=[NH2+])C1,0,GDB ChEMBL
143789,CCOc1cc(=O)nc(N)cc1CC,0,GDB ChEMBL
40442,CN1C(CCO)C(NS(C)(=O)=O)CCS1(=O)=O,0,GDB ChEMBL
97763,CCC1NC(=O)OC(C)(C[NH3+])C12C(C)C2O,0,GDB ChEMBL
297286,CC1C(C(=O)[O-])C1([NH3+])C(N)C(O)CO,0,GDB ChEMBL
358407,CC#Cc1cc(CO)cn(CC)c1=O,1,GDB ChEMBL
71972,NC1CNC(=[NH2+])NC12CCOC2=O,0,GDB ChEMBL
348818,CCCC1CCc2cc(I)cc(C)c2C1,1,GDB ChEMBL
334457,C[NH+](C)C1CCC(=O)CC12CC=CC2,0,GDB ChEMBL
302583,NC(=O)C1C(CO)OC2=NC(C(=O)[O-])CC21N,0,GDB ChEMBL
382113,C1CC2CC2C2CC3CCC2[NH+]3C1,0,GDB ChEMBL
392705,C#CC1C(c2cccc(Br)c2)CC2CC21C,1,GDB ChEMBL
34393,CC1CC2OCC(CO)C2[NH2+]1,0,GDB ChEMBL
385929,CC(C)(C#N)CC1(O)CC1,1,GDB ChEMBL
193185,CC1CC2(C)CCCC(C[NH2+]2)C([NH3+])CC1C[NH3+],0,GDB ChEMBL
179301,N#CC(CCO)C1NCC(=N)OC(=O)[N-]C1=O,0,GDB ChEMBL
296314,CCCCc1ccc(C(C)C)cc1Cl,1,GDB ChEMBL
255419,CNc1scnc1C(=O)NC(=N)N,1,GDB ChEMBL
124206,C[NH2+]C1C(O)CC2(CC2)OC1c1ccsc1,0,GDB ChEMBL
300005,CC#CCC1(CCCC)C=CCCC1,1,GDB ChEMBL
197223,CC=CC=CC=C(C)CCOCC,0,GDB ChEMBL
103410,CCC(=O)N(C)CCc1c[nH]c(NC(N)=O)n1,1,GDB ChEMBL
331186,C=CC(CC)(CCCC)CC(C)C,1,GDB ChEMBL
190347,Cc1ncnc(=N)nc1NC(=O)CNCC#N,0,GDB ChEMBL
370318,CC([NH3+])CC([NH3+])CC1CCC(C[NH3+])CC(C)C1,0,GDB ChEMBL
225364,CCC=CCC(CC)C(C)C1CC1,1,GDB ChEMBL
334630,CCN1CC(OC(=O)CN)C2C1=[NH+]C(C)C2C,0,GDB ChEMBL
386654,CC1CC(O)(C(=O)N(C)C(=O)CN)C([NH3+])C1O,0,GDB ChEMBL
71445,C[NH2+]C(C)C1(O)CC1CC[NH3+],0,GDB ChEMBL
211097,CCC=C(C)CC(C)(C)CCC[NH3+],0,GDB ChEMBL
328912,CCCCCCCC(CO)CC1(C)C[NH+]=CN1,0,GDB ChEMBL
77871,CCCC(C)(CCCC(C)C)CC(C)=O,1,GDB ChEMBL
266452,O=C1CCS(=O)(=O)CCC1O,1,GDB ChEMBL
107679,CCC[NH2+]CC(=N[O-])C1CC(C)NS1(=O)=O,0,GDB ChEMBL
214032,CCNc1nc(C)cc(CC=O)c1Br,1,GDB ChEMBL
321995,CCC1(C)C=CCCCCC(C)C1,1,GDB ChEMBL
140301,CC1CC=CC(CCO)(CNC=O)C1O,0,GDB ChEMBL
305354,COCC=C(C[NH+]=C(N)N)NC=O,0,GDB ChEMBL
150508,CC1C2(C(=O)[O-])[NH2+]CC(O)C12c1ncc[nH]1,0,GDB ChEMBL
109513,COCC1([NH3+])CC(C)CC(O)(C([NH3+])CN)C1,0,GDB ChEMBL
259410,COC(=O)NC1CN(C)C(C)(C(N)=[NH2+])C1(C)N,0,GDB ChEMBL
34345,N=C1NCC(Nc2cncnn2)C(=O)N1,1,GDB ChEMBL
153214,CCC([NH3+])(C(N)=O)C(O)C(C)C,0,GDB ChEMBL
359098,C#CC1CC2(C)C(CCCCC)CCC2C1C,0,GDB ChEMBL
153219,COCc1onc(NC(=O)N(C)C(C)=N)c1N,1,GDB ChEMBL
323308,CC1CCCC(C2CC2C2CC=CC2)CC1,1,GDB ChEMBL
350888,CCC1(O)C=CC(CCO)CCC1,1,GDB ChEMBL
202479,C[NH2+]C1C(C)C(O)C(O)C1C#N,0,GDB ChEMBL
101060,CC1(O)C2C(C#N)NC(C(N)=O)CC21C[NH3+],0,GDB ChEMBL
304383,COC1CC(C)C2[NH2+]CCCCC(C)(C)C12C,0,GDB ChEMBL
354634,CCOCC1C2C=C(C(C)C)C1CC2,0,GDB ChEMBL
170124,COCCC1(C)C2CC(C)C(=O)C1CC(C)O2,0,GDB ChEMBL
389627,CCCCC(O)c1sc(C=O)cc1NC(C)C,1,GDB ChEMBL
184702,COCC1(C(N)=O)CN1C=O,1,GDB ChEMBL
349500,C#CC[NH2+]CC1CCC(CC(C)C)C1([NH3+])CC,0,GDB ChEMBL
24268,CC(C)[NH2+]CCCC(=O)S(N)(=O)=O,0,GDB ChEMBL
263244,CCC1OC(=O)C(=O)CNC(=[NH2+])OC1C,0,GDB ChEMBL
130395,[NH3+]C1CCCc2cnc([nH]2)CNC1,0,GDB ChEMBL
38507,CC(O)C(C)C1CCC[NH+]2CC(=O)CC2C1,0,GDB ChEMBL
233424,CCOC(C)CN1C(=O)CCCCC1(C)C,1,GDB ChEMBL
307469,CC(C)[NH2+]CC1C(CC[NH3+])N1C,0,GDB ChEMBL
161103,CCCC1=NCC(C(C[NH3+])C[NH3+])CO1,0,GDB ChEMBL
270084,CC1CC(C#N)(C#N)C2C(C(N)=O)N12,0,GDB ChEMBL
177342,CC1(C)CC(C[NH3+])OC(NCC(N)C#N)=N1,0,GDB ChEMBL
105134,CCC1C=CC2(C)C([NH2+]C(C)C)CCC12,0,GDB ChEMBL
126651,CC#CCC(C)CC#CCCC(C)C,1,GDB ChEMBL
367821,C#Cc1nocc1CNC(C)=O,1,GDB ChEMBL
334700,CC1CC12CNC(=O)C1CC(C1)C2,1,GDB ChEMBL
248914,CCC([NH3+])CNC1C=CCC1O,1,GDB ChEMBL
41650,CC(C([NH3+])CS(N)(=O)=O)C1COC(=O)C1O,0,GDB ChEMBL
105147,C#CC1(CCC)C2CCC(OC)CC21,0,GDB ChEMBL
132303,CCCN(CC)C(=O)C(O)c1c[nH]nc1C#N,1,GDB ChEMBL
274930,N=C1OC(=O)C2(C[NH3+])C(O)CC(=O)NCC12O,0,GDB ChEMBL
239375,COC1C(O)C(C)[NH+]2CCC(O)C12,0,GDB ChEMBL
129544,CC#CCCC1(CC2CCCC2)CO1,1,GDB ChEMBL
292661,Nc1cccc(C#CCC2([NH3+])CCC2)c1,0,GDB ChEMBL
317710,CCC[NH+]1CCOC(C(N)(C(N)=[NH2+])C(N)=[NH2+])C1,0,GDB ChEMBL
27778,[NH3+]CC1NS(=O)(=O)CCC1NC1COC1,0,GDB ChEMBL
254949,CCCC1(C(C)=O)C2CCC1CC2,1,GDB ChEMBL
380610,CCCCC1CCC2CCCC(C[NH3+])CC2C1,0,GDB ChEMBL
75846,C#CC[NH2+]CCN1C2C=CC(C2)C1C,0,GDB ChEMBL
340116,C[NH2+]C1C2CNC1C(=O)NC(=O)C2=O,0,GDB ChEMBL
376679,NS(=O)(=O)OC1OC(=O)C2NCCC12,1,GDB ChEMBL
304452,CC#CC(CC)C(CN)[NH2+]CC,0,GDB ChEMBL
276146,NC(=O)C1CN1S(=O)(=O)CC(N)C[NH3+],0,GDB ChEMBL
287311,CCC[NH2+]Cc1cc(O)ns1,0,GDB ChEMBL
261209,CCC12CC(c3c(Br)cccc31)[NH+](C)C2,0,GDB ChEMBL
40916,C[NH+](C)C1C2OC(=O)CCC1C(C(=O)[O-])O2,0,GDB ChEMBL
110249,CC(=O)CCCC(C)C(C)=O,1,GDB ChEMBL
348684,C[NH2+]C(CN=COC(N)=O)C(=O)[O-],0,GDB ChEMBL
338915,N#CC1=C(C(=O)[O-])CC(=O)NC(=O)N1,0,GDB ChEMBL
113466,CC[NH2+]CC12C=C(C)CC1C(=O)CN2C,0,GDB ChEMBL
147549,CCCC(CC)OC1(CCOC)CCCCC1,0,GDB ChEMBL
206782,COC1CC2C([NH3+])CC2C1(C)CC[NH3+],0,GDB ChEMBL
195293,CC(C)(C)N1C(NCC2CC2)=[NH+]CC1(C)C,0,GDB ChEMBL
26422,CC1CC2CCCC(C)(C)[NH+]2C1,0,GDB ChEMBL
48028,Brc1cccc2c1ccc1sccc12,1,GDB ChEMBL
359172,CC1(C=O)C(=O)OC(CO)C1CO,0,GDB ChEMBL
21549,C#CC1CC([NH+](C)C)CCC(C)C1(C)C,0,GDB ChEMBL
362834,C[NH+]=C(N)NC(CS(N)(=O)=O)C1CO1,0,GDB ChEMBL
380337,C=CC12CCC(CCOC)C1OC2,0,GDB ChEMBL
203550,CCC1OCC2[NH2+]CCCC21,0,GDB ChEMBL
300253,CCC1(OC)C(C)[NH+](C)C(C(C)C)C1(C)C,0,GDB ChEMBL
288497,C[NH2+]C(CC1CC1)C(C)[NH3+],0,GDB ChEMBL
137079,C#CCC1C2C=Cc3c(Cl)cccc3CC21,0,GDB ChEMBL
235952,CNC(=O)C(N)(CN)C(N)=O,1,GDB ChEMBL
125538,CN1CC(N)(CO)C(N)C(=O)NC1=NCCO,0,GDB ChEMBL
140290,CC1CC1C1=[NH+]C(CO)CN1,0,GDB ChEMBL
198677,CC1CC2OC(=O)C1C(CO)C2C=O,0,GDB ChEMBL
375484,CC(O)CC(O)C([NH3+])CO,1,GDB ChEMBL
298079,CCCC#CCOC(C)(C)CC,1,GDB ChEMBL
79631,C#CC1C(C)CCC(C)C1CCC,0,GDB ChEMBL
83076,CC(O)C(NS(C)(=O)=O)C1(N)CC1[NH3+],0,GDB ChEMBL
387199,C#CC([NH3+])C(O)C1C(O)C(OC)CN1C(C)=[NH2+],0,GDB ChEMBL
9749,N#CC(NC(N)=O)C1CC1OC(N)=O,1,GDB ChEMBL
277125,CC1=CC(O)C2(C)CC3CCCC3CCC12,0,GDB ChEMBL
137425,COCC(C)C1(C)CC(=O)C(=O)OC1C(C)O,0,GDB ChEMBL
23593,CCCc1cc(=O)n2ccc(C)c(CC)cc1-2,0,GDB ChEMBL
391808,CCc1c(C)ccc2c1NCC(C1CC1)=C2,1,GDB ChEMBL
36007,C#CCC(C)CCC(C)(C[NH2+]C)C(C)[NH+](C)C,0,GDB ChEMBL
121713,CC(O)C1=NC(C(=O)[O-])C(O)C(=O)N1,0,GDB ChEMBL
267350,C[NH2+]CC1C2C(C(C)=O)NC(=O)C([NH2+]C)C12,0,GDB ChEMBL
62038,NC(=O)OCc1c[nH]c(=O)nc1[O-],0,GDB ChEMBL
354771,CC12CCCc3cccc(I)c3C1CC2,1,GDB ChEMBL
119789,N#CC1CC[NH2+]C1C(C(N)=O)C(=O)[O-],0,GDB ChEMBL
47414,COCC1CC(=O)C2C(=O)CC(C)C(=O)N12,0,GDB ChEMBL
113511,CNc1c(N)nc(Cl)nc1[NH+]=C(N)N,0,GDB ChEMBL
166431,OCC1[NH2+]C2(C3CCCC3)COC1C2,0,GDB ChEMBL
291474,CC1CC1[NH2+]CC1C(C)NCCN1C,0,GDB ChEMBL
169435,O=C1COCOCCN1,1,GDB ChEMBL
362194,CCN=C(C(N)=O)N(C)CC(=O)[O-],1,GDB ChEMBL
157079,CCCc1c(C)oc(C[NH2+]C(C)C)c1[O-],0,GDB ChEMBL
280622,COCCOc1nocc1NC(=N)CC(N)=O,1,GDB ChEMBL
326415,CC([NH3+])C(C)COC(=O)c1c[n-]c(=N)nc1F,0,GDB ChEMBL
243791,CCNc1nn(CC)c2c1C(N)=NC2,0,GDB ChEMBL
391760,CC([NH3+])C(CO)C1COC(N)=N1,0,GDB ChEMBL
338541,CC1CC2CC(C(C)(C)C)[NH2+]C1C2C,0,GDB ChEMBL
81107,CC(CCCC1CC1)N1CC1,1,GDB ChEMBL
292197,CC1CCC(C)C2(CC1)CC1CCCC(C1)C2,0,GDB ChEMBL
286158,C#Cc1cc(Cl)c(C)c(Cl)c1[O-],0,GDB ChEMBL
238542,CCc1c(O)ccnc1N1CCCC(C)CC1,1,GDB ChEMBL
148863,CCCC1C2CCCC1C(C)(CC)C2,0,GDB ChEMBL
235933,CCC(C)(CC)C1CCC(C)C(C)(C)C1,1,GDB ChEMBL
271836,C=Cc1cc(Cl)cc(CC(C)C)c1,1,GDB ChEMBL
164694,CCC1CCC(O)C(C)C(C)C12CC2,1,GDB ChEMBL
248842,CCN1CC(O)(COC(C)=O)C(=O)S1(=O)=O,0,GDB ChEMBL
140343,CNC(=O)OCC(CO)OC=O,1,GDB ChEMBL
11250,CCCCC(C)(C)C1C(CC)CC2[NH2+]C21,0,GDB ChEMBL
45732,CN(C(N)=O)C(C)(C)CC1C([NH3+])C1O,0,GDB ChEMBL
294197,CC(O)C(O)C(O)C(O)C1CC[NH+]=C1N,0,GDB ChEMBL
318336,N#CC1(NC(N)=[NH2+])CNS(=O)(=O)C1,0,GDB ChEMBL
97195,CCC1CCOC12CCCCC2,1,GDB ChEMBL
201465,CCCC1C([NH3+])C1(N)C(=O)[O-],0,GDB ChEMBL
389040,CCC1CNc2c(cnc(Cl)c2N)O1,1,GDB ChEMBL
303348,COCc1coc(C(=O)OCC([NH3+])C(N)=O)c1,0,GDB ChEMBL
98592,C#CC1COC(=O)C2(C[NH+](C)C)C1C2(C)C,0,GDB ChEMBL
216602,CCC1CC2OC(C)C([NH3+])C1(C(=O)[O-])O2,0,GDB ChEMBL
191675,CC(=O)NCC(=[NH2+])NC1CC(C(N)=O)C1,0,GDB ChEMBL
203244,CN1C2CCC3[NH2+]CC2CC31,0,GDB ChEMBL
19645,COC(CO)C1(C=O)COC1,1,GDB ChEMBL
363180,C[NH+](C)CCN=CNC(N)=O,0,GDB ChEMBL
204659,CC#CC(=NCC(N)=O)OC1COC(=O)C1,1,GDB ChEMBL
138341,CCC1C2CCC1CC(C)(C)C(CC(C)C)C2,0,GDB ChEMBL
53075,CCC1(C[NH3+])CC(C#N)C(C)(C)CN1,0,GDB ChEMBL
186632,CCOC1CC2C3CC[NH+]2C1(C)C3,0,GDB ChEMBL
26977,CC1(CO)C(NC(N)=O)C1C(N)=[NH2+],0,GDB ChEMBL
29594,[NH3+]Cc1ncc2oc(=O)ccc2n1,0,GDB ChEMBL
313324,C#CC1CC2COC(C)CCC2C[NH2+]1,0,GDB ChEMBL
184633,[NH2+]=C1CC2(O)CC([NH3+])C(CCCO)C(CN1)C2,0,GDB ChEMBL
204590,CCC1OCC=CCC(C)C1C,1,GDB ChEMBL
143797,CC1=CCC(C)NC(=O)C=C1,1,GDB ChEMBL
271377,COC(C)(C)c1nc(C#N)cc(C(N)=[NH2+])c1Cl,0,GDB ChEMBL
76838,COC1C([NH3+])C2CC(C)(O)C1O2,0,GDB ChEMBL
253572,O=[N+]([O-])c1cncc2sc(CO)nc12,1,GDB ChEMBL
77322,C#CCC1C[NH+]=C(N)N1,0,GDB ChEMBL
23639,CCCc1cnc(F)cc1C,1,GDB ChEMBL
136136,CC1C[NH2+]C(C)(CO)C1N1CC1C(=O)[O-],0,GDB ChEMBL
252720,COC(CO)C(CO)CC(=O)CC(N)=[NH2+],0,GDB ChEMBL
374183,CS(=O)(=O)N1C2C([NH3+])C(C(N)=O)CC21C#N,0,GDB ChEMBL
217371,CCCCC1C2C=C(C)CCCC2C2CC12,0,GDB ChEMBL
396104,CC1CC[NH2+]C2(C(C)O)CCCCC12,0,GDB ChEMBL
251906,CCC(C)CC(C)(C)C(C)CC1CCC1,1,GDB ChEMBL
163413,Cn1ccc2c(N)nc(C(N)=[NH2+])cc(=O)c21,0,GDB ChEMBL
376955,CC(OCCNC=[NH2+])c1cc(C#N)cnc1Cl,0,GDB ChEMBL
95575,O=C([O-])CC1(C2CC2)C2C=CC1[NH2+]C2,0,GDB ChEMBL
298252,NC(=O)c1nnn2c1C(CC[NH3+])C(C(=O)[O-])C2,0,GDB ChEMBL
285764,CC(C)CC1CC2(C)CCCC1CC2[NH+](C)C,0,GDB ChEMBL
341198,CCC1CNC(C2CO2)=N1,1,GDB ChEMBL
343217,CCC(CC)CC1CC2C(C#N)C2C1,0,GDB ChEMBL
38561,CC(=O)CS(=O)(=O)N1CC(CO)OC1=N,1,GDB ChEMBL
307540,C#CCC1CC(C)C(C)C2CCCC1C2C[NH3+],0,GDB ChEMBL
354419,C=CC(NC(=O)C(=O)OC)C(N)=[NH2+],0,GDB ChEMBL
385638,CC(O)C(C(N)=[NH2+])C1(N)CC(=O)OC1CO,0,GDB ChEMBL
45902,C[NH2+]Cc1cn(C(C)=O)c2ncnnc12,0,GDB ChEMBL
243757,C#CCc1ccc(CC(C)C)c(CC#C)c1Cl,1,GDB ChEMBL
363157,O=C1CCN=C(C2Cc3cnnn3C2)O1,0,GDB ChEMBL
358901,CC1[NH2+]C(C(N)=O)C1C1OC(=O)[N-]C1=O,0,GDB ChEMBL
334472,CC(=O)N(C)CCC1(CC=O)[NH2+]CC1(C)C,0,GDB ChEMBL
66756,CCCC1CC1CC(OCC)C(C)C,1,GDB ChEMBL
330166,CC(=O)OC1C(C)C(O)C1C#N,0,GDB ChEMBL
338282,CC#Cc1ccc2c(C)ccc(Cl)c2c1,1,GDB ChEMBL
318158,CCC(C)C(CCO)CCCOC,1,GDB ChEMBL
104362,CC1CCCC(C)C2OCCC12,0,GDB ChEMBL
112404,CC(C)(C)CCC1=CC=CCC=CC1,0,GDB ChEMBL
170108,C#CC1CCc2cc(F)c(C)c(O)c2OC1,0,GDB ChEMBL
203161,CC#CCCC1(CC)CCC1,1,GDB ChEMBL
174888,N#CC(=O)[N-]S(=O)(=O)c1cncc(C[NH3+])c1,0,GDB ChEMBL
118109,N#CC1CC(c2c[nH]cn2)N=CN1CC(=O)[O-],0,GDB ChEMBL
195365,COCC1N(C)C(CNC(C)=O)S1(=O)=O,0,GDB ChEMBL
114389,NC(=O)N1C(=O)C2NC(C(O)C[NH3+])CC1C2O,0,GDB ChEMBL
204808,CCCC(C)CC1CCCC(C)(CC)C(C)C1,0,GDB ChEMBL
366930,N#CC(N)C(C[NH3+])(C(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
108680,NC(=[NH2+])NC1CC2OC1C(C[NH3+])C2O,0,GDB ChEMBL
115885,CCC1(C)Oc2cc(C)c(=O)ncc2C1C[NH3+],0,GDB ChEMBL
174939,C#CCC(C)(C#C)c1cc(F)cc(C)c1C,0,GDB ChEMBL
221655,Cc1cccc(C#CC2(O)COC2)c1Br,1,GDB ChEMBL
119450,N=C(NC=O)OCC(O)C(O)CCO,1,GDB ChEMBL
153315,CC(C[NH3+])NC(=O)CC1(CO)COC(C[NH3+])O1,0,GDB ChEMBL
244586,C#CCN1CC=C(C)C(=O)CC1,1,GDB ChEMBL
83063,C#CCCCC(C)(C[NH3+])CCC,0,GDB ChEMBL
16058,CCC1(CC(C)CC2CCC(C)C2)CCCC1,0,GDB ChEMBL
47701,CNC(=O)C1(N)COC1(C)C[NH3+],0,GDB ChEMBL
163408,COCCC(N)(C([NH3+])CC(=O)[O-])C1C[NH+]=CN1,0,GDB ChEMBL
288105,C[NH+]=C1NC(C(C)CN(C)C(=[NH2+])CC#N)CO1,0,GDB ChEMBL
37317,C#CC1C2C(CC(N)=O)CC1(O)CC2(C)C,0,GDB ChEMBL
348467,CNc1c(Cl)cc(N)c2cccc(O)c12,1,GDB ChEMBL
374319,CC12C(C#N)C=CC(CO)N1C2C(=O)[O-],0,GDB ChEMBL
279942,CC(C)CC1C2CCCC1CCC2,1,GDB ChEMBL
334600,C[NH+]=C(N)OC1CNC(=[NH2+])NC1,0,GDB ChEMBL
207973,CCC1C[NH+](C(C)(C)C)CC1C1CCC(C)[NH2+]1,0,GDB ChEMBL
151227,CN=C1OC(C)COC(C(=O)[O-])C1C[NH3+],0,GDB ChEMBL
311631,C#CC(C)(C)c1cc(Cl)cc(CCCC)c1C,1,GDB ChEMBL
184677,CC(=O)NC1C(O)C1CC([NH3+])(CO)C(N)=O,0,GDB ChEMBL
87481,CCC1(OC)CCC2[NH2+]C(C)CCCC2C1C,0,GDB ChEMBL
19377,CC1(O)C(=O)NC=CC(O)C1C([NH3+])CO,0,GDB ChEMBL
383957,COC1(C(N)=O)CC(O)C(C(N)=[NH2+])C1N,0,GDB ChEMBL
160814,CNC(=O)CCCc1c[n-]c([N+](=O)[O-])n1,0,GDB ChEMBL
87691,C=C(C)CC[NH+]1CCC2CC(C2)C1,0,GDB ChEMBL
120380,COCC(C)OCc1cc(C(C)C)c[nH]c1=O,1,GDB ChEMBL
328851,CCc1sc2c(c1N)CC[NH+](C)CC2,0,GDB ChEMBL
317333,CC(=O)c1cc(N)nc2c(C)c(O)cn12,0,GDB ChEMBL
8680,O=C1NC2COC3CC2C(O)C3O1,0,GDB ChEMBL
191320,O=C1[N-]C2C(O)C2(C(=O)[O-])OC(=O)N1,0,GDB ChEMBL
354607,C#CC(C)C(C)[NH+]1CC(C)N(CC)CC1(C)C,0,GDB ChEMBL
53265,CC1OC2OC1C1NC(=O)CC21,0,GDB ChEMBL
199457,CC1CC1CC(C(C)(C)C)C(F)(F)F,1,GDB ChEMBL
110213,CC1OC(CO)CC(O)C1C,1,GDB ChEMBL
230498,CC(=O)OCCC1CC2CC1(C)[NH+]2C,0,GDB ChEMBL
126382,Cc1c[nH+]c(N)c(C(=O)Nc2ccco2)c1N,0,GDB ChEMBL
42238,CCC(CCO)CC(C)([NH3+])CN1CCCC1=O,0,GDB ChEMBL
76089,CCC1CC(C#N)(CN(C)C)C2(CO2)C1,0,GDB ChEMBL
17065,CC1=CC(C)C2CC[NH2+]C1C2,0,GDB ChEMBL
40462,CC1CC2[NH+](C)CC3CC32C1C#N,0,GDB ChEMBL
76091,CCCCC(C)(C)C1CCCCC1CC,1,GDB ChEMBL
151770,CCC1C(C[NH2+]C2CC2)C1OC,0,GDB ChEMBL
369870,CC1CCC(c2cnccc2Cl)=C1C1CC1,1,GDB ChEMBL
391719,CC1OC(=O)C2(CN2C(N)=[NH2+])C(O)C1O,0,GDB ChEMBL
73268,OCC1CCC=CC2CC2C[NH2+]1,0,GDB ChEMBL
47510,CC12CC1Cc1cccn1C2,1,GDB ChEMBL
250522,N=C(N)NC(=O)C=O,1,GDB ChEMBL
275549,[NH2+]=C1COCCN2CCC([NH3+])C(C2)N1,0,GDB ChEMBL
136696,CCC(C)C1=Cc2cccn2C1,1,GDB ChEMBL
390540,CC1(C)CC(N)(C#N)C2(C(=O)[O-])OC(=[NH2+])NC12,0,GDB ChEMBL
5233,CC1C[NH+](CC(C)(C)CO)C1,1,GDB ChEMBL
77388,COCC(O)(CC([NH3+])CO)C([NH3+])C(N)=O,0,GDB ChEMBL
358147,C#CCC1=CC(C)(C)OC1=O,1,GDB ChEMBL
122859,CC[NH+]1CC(C)CC2C(CO)CCCCC21,0,GDB ChEMBL
75437,CCCC1([NH+](C)CC)CC1(C)OCC,0,GDB ChEMBL
292233,CCN1C(C(N)=[NH2+])CC(C)([NH3+])C1(C)CC(=O)[O-],0,GDB ChEMBL
77481,CC(N)=[NH+]C1(C)CCOc2ccnc(C)c21,0,GDB ChEMBL
85657,CNC(=O)NC(=O)c1cc(F)nc2ccsc12,1,GDB ChEMBL
153347,CC1(C)C(=O)NC(=O)C1C1CC1,1,GDB ChEMBL
144502,C#CCCCCCC1CCCC2CCC1C[NH2+]2,0,GDB ChEMBL
288594,CC(=O)CCCC1C[NH2+]1,0,GDB ChEMBL
298186,CCCOC1C=CC2C(CO)OC(C)C2C1,0,GDB ChEMBL
207734,C#CCc1c(N)ccc(F)c1CC(C)(C)OC,1,GDB ChEMBL
169361,CNC(=O)C(=N)N(C)S(C)(=O)=O,1,GDB ChEMBL
372787,N#CCC(O)C1[NH2+]CC2C([NH3+])C21,0,GDB ChEMBL
119391,[NH2+]=C(NC(=O)NC=O)NC1CCCC1,0,GDB ChEMBL
176402,CC(C)C(C)[NH+]1CC2C3CCC1C32,0,GDB ChEMBL
285607,NC(=O)C([NH3+])C1CC2OCC(O)C2(O)C1,0,GDB ChEMBL
133339,CNc1nsnc1NC(C)CC[NH3+],0,GDB ChEMBL
121501,N#CCC1C([NH3+])C1OCC1NCCOC1=O,0,GDB ChEMBL
325913,C=CC(CC)C([NH3+])COCC1CO1,0,GDB ChEMBL
351319,CCC1C2CC(O)C([NH2+]C)(CN(C=O)C2)C1N,0,GDB ChEMBL
126957,COCc1cc(O)cn1C(C)C(=O)OC,1,GDB ChEMBL
390509,CCC1CC2(O)CC(C)C(C#N)C2(C[NH3+])C1,0,GDB ChEMBL
230233,CC(O)C1C(S(C)(=O)=O)C1(C=O)NC(N)=[NH2+],0,GDB ChEMBL
84492,N=C1NC(=O)C2(N)CNC(C([NH3+])CCO)C2O1,0,GDB ChEMBL
305311,CC1=C2CC=CCCC(C)C(C)(C2)C(O)C1,0,GDB ChEMBL
13192,CC(C)C(O)CC(=O)OCC1C(=N)OCC1O,1,GDB ChEMBL
189897,CCCC(OC)C1=CC2CC(CO)(C1)C2,0,GDB ChEMBL
180049,CC[NH+](C)C1C2OCCC1(C)C2C(C)C,0,GDB ChEMBL
26584,CCCC(C)(CC(C)[NH3+])Nc1nc(N)c(C)s1,0,GDB ChEMBL
294435,COCCC1(CN)N=C(N)NC1=O,0,GDB ChEMBL
230524,CCC1C2CC(O)(CC(C)[NH2+]C2C)C[NH+]1C,0,GDB ChEMBL
203590,CCC1OC2CC1c1c2ccc(N)c1F,1,GDB ChEMBL
155079,CCCCCC1(CC)CCCCCCCCC1,1,GDB ChEMBL
38770,CC1C2C=C(CCC3CC3)CC(C2)C[NH+]1C,0,GDB ChEMBL
79271,CCCC#CCC(C)CC=C(C)C,1,GDB ChEMBL
99845,CCN1C(=O)C(O)C2(CC2[NH3+])C1C(N)=O,0,GDB ChEMBL
45025,COC(=O)NC(CO)CS(N)(=O)=O,1,GDB ChEMBL
317712,CCCC1[NH2+]C(C)C(C)([NH3+])C1CO,0,GDB ChEMBL
196776,N#CC1[N-]C(=O)NC(=O)C(O)C(O)C1O,0,GDB ChEMBL
312875,CCOC1C=CC2CCC(C=C1)C2C1CC1,0,GDB ChEMBL
138409,C#CC(C)c1c(C)cc(F)c(NC)c1C,0,GDB ChEMBL
334656,CC1=CC2C(O)CC(C)[NH+](C)C2CC1,0,GDB ChEMBL
5913,CCCC1CC2COC1C(C)(C)C2C,0,GDB ChEMBL
292307,C#CCC(COCC)C1C(CC)CCC1CC,0,GDB ChEMBL
67354,CC1CC(C)C2(C)CC3CCCC3C12,0,GDB ChEMBL
228490,O=COCC1OC(=O)CC(=O)C=CC1O,1,GDB ChEMBL
107644,CCC1(C)C(O)CC(C)C1(CC)CC,0,GDB ChEMBL
362606,CCCC12CCCCC1C(C)CCCC2CC,0,GDB ChEMBL
180842,N=C(N)NC(=O)C(O)C(O)C(C[NH3+])CO,0,GDB ChEMBL
47987,[NH3+]CC1(CCC2CC2)CCC1,0,GDB ChEMBL
365677,CN1C(=O)CC(=O)C1C(O)C(O)CC=O,0,GDB ChEMBL
168403,NC1=NC(C(=O)[O-])C([NH3+])CC(O)(CO)C1O,0,GDB ChEMBL
311674,CCCCCC(=O)Cc1nc(OC)no1,1,GDB ChEMBL
89342,N#Cc1n[nH]c(NC(=O)CC(=O)[O-])c1[O-],0,GDB ChEMBL
381460,CCC1(Cc2cc(C)cc(F)n2)C[NH+](C)C1,0,GDB ChEMBL
300169,C=C(C)CCCC=CC(C#N)OC,1,GDB ChEMBL
363559,CN(CC(=O)[O-])C1(CO)COC1,1,GDB ChEMBL
391698,CC1(C#N)CC(O)(C(N)C[NH3+])C(=O)[N-]1,0,GDB ChEMBL
318159,CC1CC(=NCCCCO)O1,1,GDB ChEMBL
337198,CC12CCCC(COC1)C2O,1,GDB ChEMBL
167327,CC1CC1C1=CCC2CC1C[NH+]2C,0,GDB ChEMBL
281803,NC(=O)CC([NH3+])C1(O)CC2C[NH+]=C(N)N2C1,0,GDB ChEMBL
283290,CCC1C2CCC3CC3CCC1CC([NH3+])C2,0,GDB ChEMBL
114821,CC(C)(C)Cn1nc(N)c2c1CCCC2,1,GDB ChEMBL
260590,CCCN1C2C(C(O)C(N)=O)NS(=O)(=O)C21,0,GDB ChEMBL
208576,Nc1nc(NCCC([NH3+])CO)[nH]c(=[NH2+])n1,0,GDB ChEMBL
246397,CCC12CCC(C1)[NH+](C(C)C)CC2,0,GDB ChEMBL
70902,CCC1CC2CCC1CCC21COC1,0,GDB ChEMBL
305308,CC(O)C[NH+]1CC2C=CC(O)CC(C1)[NH2+]C2,0,GDB ChEMBL
41101,NC(=O)C([NH3+])C(O)C1(CO)COC1=O,0,GDB ChEMBL
298899,CC([NH3+])C1(C(O)C(N)=O)C2CN(C)C1C(=O)N2,0,GDB ChEMBL
193306,CCC(C)C1C(C)C1CC1CC=CCCC1,0,GDB ChEMBL
218831,Cn1ccc(OCCC(CC#N)=NO)n1,1,GDB ChEMBL
62806,NC1C(O)C2C3C[NH+](C3)C1C2C(=O)[O-],0,GDB ChEMBL
148825,COCC1CC2([NH3+])CCC1(C)C2,0,GDB ChEMBL
115984,CCc1ncnc2c1cc1cnc(C)cn12,0,GDB ChEMBL
9718,CC1CCCCC(=O)C#CC=CC[NH2+]1,0,GDB ChEMBL
216464,CC1OC2COC(C1O)C2NC=O,0,GDB ChEMBL
149997,C#CC(O)C(CC)C(C[NH3+])OC,0,GDB ChEMBL
102302,Cc1cc(C(C)CCC(C)C)ccc1Br,1,GDB ChEMBL
207899,COC(C(C)O)C1C(=O)NCC1C([NH3+])C(N)=O,0,GDB ChEMBL
397061,C[NH+](C)C12CC(C1)c1cc(Cl)ccc12,0,GDB ChEMBL
73262,CCNC(=O)C(O)c1n[nH]c(=O)[nH]1,1,GDB ChEMBL
219558,CCOC(C(=O)[O-])C1(C#N)COC1C,0,GDB ChEMBL
66689,O=C1CNC2C(=O)OCC2S(=O)(=O)[N-]1,0,GDB ChEMBL
59693,CC[NH2+]C(C)Cc1nc(N)cc2n[nH]nc12,0,GDB ChEMBL
352582,CCC(C)C1C(C)(C)CCC2OC21C,1,GDB ChEMBL
287334,CC(Cc1cc(F)cc(F)c1)CC(F)(F)F,1,GDB ChEMBL
215827,CN1C(=O)C2N=C(N)C(=O)C1C2O,0,GDB ChEMBL
357652,CC(O)C1(CS(C)(=O)=O)CCOC(=O)CN1,0,GDB ChEMBL
214015,C=CCC1C(=C)C(=O)COC1(C)C,0,GDB ChEMBL
324001,COCC1COC(=O)C(C(N)=[NH2+])CCC1CO,0,GDB ChEMBL
141953,N#CC1CC(C(N)=O)C2COC2C1O,0,GDB ChEMBL
271130,CC1NC(=N)N(C)C(=O)C=C(C#N)C1=O,1,GDB ChEMBL
383751,Cc1nc(C[NH2+]C2CC2)c(N)s1,0,GDB ChEMBL
170253,CC1=CC2CC3(C)C[NH+](C)C3C2NC1=O,0,GDB ChEMBL
287328,CCC1(OC)CC2C[NH2+]C(CC(O)C2)C1,0,GDB ChEMBL
119795,CC1C(C)C1OC1CC1CC(=O)[O-],1,GDB ChEMBL
2125,C=C1CC2CC2[NH+](CC(C)CC)C1,0,GDB ChEMBL
174019,NC(=[NH2+])CCOC1CC(=O)C(COCCO)O1,0,GDB ChEMBL
34929,C[NH2+]CC1CC1CC(O)CC(N)=[NH2+],0,GDB ChEMBL
229470,C#CC(C#C)(C[NH3+])C(C)CC#N,0,GDB ChEMBL
379398,C[NH2+]CC(NC=O)(C(C)C)C(C#N)CO,0,GDB ChEMBL
50302,CCC(C)C(C)(C)OC,1,GDB ChEMBL
126999,CCCOC1(CC[NH2+]C)CCC1,0,GDB ChEMBL
144497,CC1CC(C)(C(C)CO)CO1,0,GDB ChEMBL
191287,N#CC(O)CC(OS(N)(=O)=O)C(=O)[O-],1,GDB ChEMBL
73867,C#CCOc1cnncn1,1,GDB ChEMBL
372141,CC(C)OC1C=CCC1(C)C,1,GDB ChEMBL
77531,CC(=O)c1cc(CCNC=[NH2+])n[nH]c1=O,0,GDB ChEMBL
330745,CC1=CC(C[NH+](C)C)CC(C)CC1CC#N,0,GDB ChEMBL
366718,N=C1NC(=O)NCC2C(O)C(=O)N12,0,GDB ChEMBL
115062,CS(=O)(=O)CCC(O)C([NH+]=CN)C(N)=[NH2+],0,GDB ChEMBL
97151,NC(=[NH2+])NC(CO)C(=O)c1csnn1,0,GDB ChEMBL
223320,C#CC(C#C)(CCC)C(C)[NH2+]C,0,GDB ChEMBL
352585,CCCC1(C)CC(C)C1COC,0,GDB ChEMBL
245527,CCCCC(C)C1C2CC(C)CC21CC,0,GDB ChEMBL
356525,CC1=NCCC(C(=O)N(C)C)O1,0,GDB ChEMBL
301490,CNC1=[NH+]CC(C)CCC[NH2+]C1,0,GDB ChEMBL
112423,CCCC1[NH2+]C(C)(CC)C2CC12,0,GDB ChEMBL
253594,CNC(C(F)(F)F)C12OC(=O)C(OC1=O)C2O,0,GDB ChEMBL
258686,C#Cc1cc2c(cc1Cl)CCC1(CCCC1)C2,1,GDB ChEMBL
68682,CC1=CC(C=O)CC(C)CCCC1,1,GDB ChEMBL
303916,CN=C1OC(CO)(C(=O)[O-])CC1[NH3+],0,GDB ChEMBL
19419,C#CC(C#C)Cc1cc(Cl)ccc1Cl,1,GDB ChEMBL
308202,CCC12C(C(N)=O)NC(=O)NC1C2C=NO,0,GDB ChEMBL
17478,CC(=[NH2+])NCCCCC#Cc1nccs1,0,GDB ChEMBL
29251,C[NH+]1CC(CC2OC2CCO)CCC1C=O,0,GDB ChEMBL
137123,CC1C2=CC(=O)OC(C)(C)C2C[NH+]1C,0,GDB ChEMBL
374941,NC1=NCC2CNCC(=O)N12,1,GDB ChEMBL
115943,OC1CCCCC2CC12,1,GDB ChEMBL
29625,C[NH+](C)C1CC2OC2CC([NH3+])C1O,0,GDB ChEMBL
80341,Cc1cc(CC(C)(C)[NH3+])c(OCCC(C)C)[nH]1,0,GDB ChEMBL
120513,C#CCc1nc(C(=O)CCC)nc(N)c1C,0,GDB ChEMBL
263467,CCCOc1cc2c(Br)cc(Br)cn2n1,1,GDB ChEMBL
190017,NC(C[NH3+])Cn1cccc1,0,GDB ChEMBL
218330,C[NH+]1CCCC2CC1C1OC21,0,GDB ChEMBL
369308,CC(C)CNc1onc([O-])c1N(C)CCC#N,0,GDB ChEMBL
319308,NC1=[NH+]C(Cc2cc([O-])no2)CN1,0,GDB ChEMBL
381434,CCC1C2OCC1(O)C(C)C2O,0,GDB ChEMBL
38618,CCC1CC2CC1CCC2CC(C)C,1,GDB ChEMBL
266197,CC1C2CC3CCC=CC1[NH+]3C2,0,GDB ChEMBL
214700,NC(=[NH2+])NC1C(O)C(=O)NC12CC2[NH3+],0,GDB ChEMBL
28280,CCCC1CC2(C)CC=CCCC2CC1=O,0,GDB ChEMBL
234976,NC1CC2(O)C(O)C2C1[NH2+]CC(=O)[O-],0,GDB ChEMBL
3783,C1=[NH+]CCCCC(c2ccoc2)CN1,0,GDB ChEMBL
179464,NC(=O)C1=CCC2(C[NH2+]C2)C1=O,0,GDB ChEMBL
288620,CCC1([NH3+])C(=O)NC2COC21,0,GDB ChEMBL
99572,C#CC1C(C)CCC2OC(CCCC)CC21,0,GDB ChEMBL
365828,CCC1CC2CC(C)(C(C)C)CC(C)C2[NH+]1C,0,GDB ChEMBL
235188,CC(=O)c1c(C)c(C#N)c([O-])c(CO)c1Br,0,GDB ChEMBL
201139,C[NH2+]CC1C[NH+](CC2CCCCC2)C1,0,GDB ChEMBL
77011,C#CC(=O)OC1C(N)CC(=O)NCC1[NH3+],0,GDB ChEMBL
326747,Cc1ncoc1CC1CC1,1,GDB ChEMBL
218346,CC12OC(=O)C(O1)C(=O)NC2CO,0,GDB ChEMBL
132726,C#CC(OC)C([NH2+]CC)C1CC1C[NH3+],0,GDB ChEMBL
262214,CC(CC(C)(CO)CCC[NH3+])c1cnoc1N,0,GDB ChEMBL
369289,COC1(C)OCCC1CCCO,1,GDB ChEMBL
274954,Cc1cc2c(cn1)ncc1[nH]ncc12,0,GDB ChEMBL
24775,NC1=NC(CCO)CO1,1,GDB ChEMBL
277718,C[NH+](C)C1CC(O)C(O)C2C(=O)OC21,0,GDB ChEMBL
334695,CCC(O)C1(C)C2C[NH+](C)C21,0,GDB ChEMBL
379131,CC(O)C(O)C(=O)CCS(=O)(=O)[O-],0,GDB ChEMBL
382960,C[NH+]1CCC2CC(C1)N=C(N)C21CO1,0,GDB ChEMBL
305984,CC1C(=O)C2C3CC1[NH+](C)CC32,0,GDB ChEMBL
190476,CCC(O)C(C#N)C(CC)CC(=O)C(C)[NH2+]C,0,GDB ChEMBL
203737,[NH3+]C1CC1c1c(F)cccc1F,0,GDB ChEMBL
395972,Cc1cc(C23CCC(C)(CC2)CC3)ncc1I,1,GDB ChEMBL
21483,O=C([O-])CC1CC2C(O)C[NH2+]CC12,0,GDB ChEMBL
283275,CCC#CC([NH3+])c1cc(C)c(Br)cc1C,0,GDB ChEMBL
320739,C=CC(O)(CO)CNS(=O)(=O)CC[NH3+],1,GDB ChEMBL
161788,CC1=CC2(CC(C)C3CC2CC[NH2+]3)OCC1,0,GDB ChEMBL
149976,O=CNC(=O)C[NH2+]Cc1cn[nH]c1,0,GDB ChEMBL
391780,CS(=O)(=O)N1C(=N)OCC1C(N)=O,1,GDB ChEMBL
151740,CCCCCCC(C)(CO)C(=O)CNCC#N,1,GDB ChEMBL
131637,CC(C)C(C#N)NCCO,1,GDB ChEMBL
318777,C=CC1CC(C[NH3+])C2[NH2+]C(C)CC12,0,GDB ChEMBL
184249,[NH3+]CCC1OC2CC([NH3+])CNC(=O)C12,0,GDB ChEMBL
233929,CCC1C[NH2+]CC2CC(O)C1CN2CC(N)=O,0,GDB ChEMBL
194725,CCn1cc(C(=[NH2+])NC)c(=O)n(CC)c1=O,0,GDB ChEMBL
392762,CC1(O)CC1(C#N)Cn1ccnn1,1,GDB ChEMBL
35700,Cc1nc(CO)c(C(C)(C)C)[nH]1,1,GDB ChEMBL
271561,N#CCNC(=O)COC(=N)NC=O,1,GDB ChEMBL
182501,NC(=O)n1c(N)nc(CO)c([O-])c1=O,0,GDB ChEMBL
101923,CC[NH2+]C1COC(CC(F)(F)F)C1C,0,GDB ChEMBL
354752,CC(C)(C)COCC#N,1,GDB ChEMBL
26435,CCC1CCc2c3c(cc(Cl)c21)C=CC3,1,GDB ChEMBL
311308,C[NH2+]C(CCO)CCCC(C)O,0,GDB ChEMBL
328871,C#CCCC(CC)C1CCC(C(F)(F)F)CC1,1,GDB ChEMBL
45989,CCC(C)[NH+](C)Cc1cnc(F)c(F)c1,0,GDB ChEMBL
99104,CC(=O)C(CCCC(C)C)C1(O)CC1,1,GDB ChEMBL
68455,CCCNc1ccc(-c2cnc(N)nc2)o1,1,GDB ChEMBL
241107,C#CCCC1(C(=O)[O-])[NH2+]CC1C#CC,0,GDB ChEMBL
21441,C#Cc1cc(C2CCC2)c(C)c(CC)c1Br,1,GDB ChEMBL
370301,CCNc1cc(=O)c(CCCO)c(C)[nH]1,1,GDB ChEMBL
328857,CCC1C2CC(C(C)C)[NH+]1C(C)(CC)C2,0,GDB ChEMBL
28167,NC(=O)Cc1nnc([O-])c(=O)n1CC[NH3+],0,GDB ChEMBL
317941,CC(C)CCCC1(C)CCCC2COCC1O2,0,GDB ChEMBL
103441,OCC1OCC#CC=Cc2c(F)cccc21,1,GDB ChEMBL
124123,NC(=[NH2+])NC1C(N)C2CC1C(O)C[NH2+]2,0,GDB ChEMBL
195300,[NH3+]C1C(O)CNC(=O)C1OC=O,1,GDB ChEMBL
217012,CCCC=CC(C)=Cn1ccnc1,0,GDB ChEMBL
264970,CC1[NH2+]CC(O)C2CCCC1C2,0,GDB ChEMBL
382505,O=C1NC2CC1[NH2+]CC1CC12,0,GDB ChEMBL
203311,CC([NH3+])(CO)CC1CCCC2(C)CCCC12,1,GDB ChEMBL
397080,CCC(C)C(C(O)C1CO1)[NH+](C)C,0,GDB ChEMBL
223315,CC=CC(CC=C(C)C)C(C)[NH2+]C,0,GDB ChEMBL
317586,CC(=[NH2+])N1CCOCC(O)C1,0,GDB ChEMBL
34290,[NH3+]C12CCN3CC(CO)OC1C32,0,GDB ChEMBL
341165,CC1C([NH3+])CCCC(=O)[N-]C1C#N,0,GDB ChEMBL
340131,CC1CC(CO)C(NC(=O)C(O)C[NH3+])C(=O)N1,0,GDB ChEMBL
330407,CC1=CC2C([NH3+])CC(C#N)C2CC(O)C1,0,GDB ChEMBL
383311,CCCc1cc(Cl)c2cccc(CC)c2c1O,1,GDB ChEMBL
290576,CCC1(C)CC(O)(CO)C[NH+]1C1CCC1,0,GDB ChEMBL
67631,CC(O)CC1CCC2(C)[NH+](C)CCC12C,0,GDB ChEMBL
177235,CC1=C(C)CC(c2c(F)cc(F)cc2F)C1,1,GDB ChEMBL
175552,C[NH2+]CC(C)(N)C1(OC)C(=O)OCOC1CO,0,GDB ChEMBL
243776,CCC(C)C(O)CCC1CC1(C)C(F)(F)F,1,GDB ChEMBL
374340,CCS(=O)(=O)N1CC(OC(=[NH2+])NCC=O)C1,0,GDB ChEMBL
170151,O=C(Nc1ncns1)C(O)CO,1,GDB ChEMBL
12835,CCC([NH2+]C)C1CN=C2OCCC21,0,GDB ChEMBL
36055,Cc1cn[nH]c1C(=[NH2+])NCCCO,0,GDB ChEMBL
375831,CC1[NH2+]C(C(N)=O)C(N)C2(O)CCC1C2,0,GDB ChEMBL
369844,CC1=C(CC(=O)[O-])C(=O)N(C(=O)C(=O)[O-])C1,0,GDB ChEMBL
102348,CC1CCC(CC2C(O)C[NH2+]C2C(C)C)CC1,0,GDB ChEMBL
50232,CCC(C)[NH2+]C1CC(O)(C(=O)[O-])C2CC12,1,GDB ChEMBL
118163,CC(C[NH2+]CC(O)C[NH3+])CN1CCCC([NH3+])C1,0,GDB ChEMBL
322901,CC1CC=C2CC(=O)CC2C[NH2+]1,0,GDB ChEMBL
395105,CN(C(N)=O)C(=O)C(N)C([NH3+])CO,1,GDB ChEMBL
115389,C#Cc1c(C)c(F)cc(C2CC2)c1F,1,GDB ChEMBL
205786,CC12C[NH2+]C3C(O)CC(O1)C3C2,0,GDB ChEMBL
16778,C#CC(C(C)O)C(C#N)CCC,0,GDB ChEMBL
383059,CCNC1C([NH2+]C)C=CC1(N)C(N)=O,0,GDB ChEMBL
141704,CC(C)C(=O)N1C2C(=O)CC(C)(O)C(O)C21,0,GDB ChEMBL
248910,CCC1(O)C[NH2+]C(C)CC1=O,0,GDB ChEMBL
138355,O=C([O-])C12CCCC1C1OC1C(O)C2,0,GDB ChEMBL
120736,Cc1cnc2cnc(N3CCC3)cc2c1Br,1,GDB ChEMBL
379199,CCC1(C)CC2CC(O)C(CC1[NH2+]C)[NH2+]2,0,GDB ChEMBL
222789,CNc1c(Cl)ncc(C(C)O)c1C[NH3+],0,GDB ChEMBL
284339,CCC(=O)C(C)CC#CC#CCC(C)C,1,GDB ChEMBL
53089,C=C(C(O)CS(C)(=O)=O)C(O)C(N)=O,0,GDB ChEMBL
263842,COC1CC(C#N)C2C(N)(C(N)=O)C12O,0,GDB ChEMBL
271573,O=C1NCC2=C1C(n1cccc1)CCCC2,0,GDB ChEMBL
372181,CCCCC(C)C(C)C(C)n1ccc(=[NH2+])cc1,1,GDB ChEMBL
215465,CCOc1c(F)c(C(C)(C)CC)c[nH]c1=NC,1,GDB ChEMBL
115902,COC(C)C1C(C(O)C[NH3+])N1C,0,GDB ChEMBL
24294,CCC(CC)C(C#N)(CN)C[NH3+],0,GDB ChEMBL
323989,CC1OC(=N)C(=NO)CC(=O)NCCC1=O,1,GDB ChEMBL
161057,CN1CC(C)([NH3+])CC12CC1CC[NH+](C1)C2,0,GDB ChEMBL
124104,CC[NH2+]CCC1(C)CCCOC2(CC2)C1,0,GDB ChEMBL
136556,CCC(CO)(CNC(N)=O)CC(C)C#N,0,GDB ChEMBL
385594,C#CC[NH2+]C1(C#C)CCCCC1,0,GDB ChEMBL
76374,CC1C(=[NH2+])NCC(=O)NC1CC=O,0,GDB ChEMBL
223302,CCC(C)(O)C1CC2CC2(C)CCC[NH2+]1,0,GDB ChEMBL
309140,C[NH2+]CCCc1[nH]ccc1C1([NH3+])CCC1,0,GDB ChEMBL
13796,CCC1C2CC2C2CCCCC12C,0,GDB ChEMBL
348879,C#CC(C)(C)C(O)C(=O)[O-],0,GDB ChEMBL
358827,O=C([O-])C(CCn1cnnn1)=NO,1,GDB ChEMBL
241085,CC(N)(C#N)C(N=C(N)N)C(N)=O,0,GDB ChEMBL
87672,COC(=O)C1(C#N)C(O)c2ncnn2C1C,0,GDB ChEMBL
99439,CCCC1C[NH+](CCC)C(C)C(C)CC1OC,0,GDB ChEMBL
160855,CCCCC1(C2CC=CC2)CC1(CC)CC,0,GDB ChEMBL
325855,C#Cc1c(CCC)ccc(Cl)c1C1CCC1,1,GDB ChEMBL
226260,CCC1CC(OC)C(CO)CC1(C)CC[NH2+]C,0,GDB ChEMBL
100686,CCc1cc(Br)c(C)c2c1OCC2(CC)CC,0,GDB ChEMBL
216132,CCOC(=O)Cc1nc(=N)nc(N)c(O)c1C,0,GDB ChEMBL
151713,COCC1C(C)(C)OC2C[NH2+]CC21C,0,GDB ChEMBL
203251,CC1CC2(C)CC([NH3+])C(CO)OC1C2C,0,GDB ChEMBL
206846,Nc1nc([O-])c(CCNC=O)c(=O)[nH]1,0,GDB ChEMBL
203425,Clc1cc(CC2CCO2)ncn1,1,GDB ChEMBL
302331,CC1C(O)CCOC1C1CN(CC(N)=O)C=N1,0,GDB ChEMBL
31304,CCCCCC1COCCCC[NH+](C)C1(C)C,0,GDB ChEMBL
38490,CN1C(=O)C(O)C(=O)CC1CC(O)CO,1,GDB ChEMBL
234516,COC(CC(C)(C)C#N)C(=O)C1CC1,1,GDB ChEMBL
260525,CC1(CC(=O)[O-])CCNC=[NH+]C1C=O,0,GDB ChEMBL
222798,N#CCN=C(N)C(O)(C[NH3+])C(=O)[O-],0,GDB ChEMBL
44088,CCCCNc1cn(CCC)nc1C(N)=NC,0,GDB ChEMBL
99598,N#CC1(N)COC(C(O)C(CO)C(=O)[O-])C1N,0,GDB ChEMBL
215678,CC1(O)C2CC=CCCCC1CC2,0,GDB ChEMBL
28175,C[NH2+]C1CC2CNC(=O)C(C=O)(CO)C1N2C,0,GDB ChEMBL
386503,CC1(N)C2CC[NH2+]CC1C(=O)O2,0,GDB ChEMBL
234464,Cc1[nH]c(=N)c2ccc(CC(=O)[O-])nc2c1Br,0,GDB ChEMBL
263250,Cc1n[nH]c2c1C(=O)N(C1CC1C)C2,1,GDB ChEMBL
348598,C[NH2+]C1CC2C([NH3+])CC(C)C1C2O,0,GDB ChEMBL
280761,CCc1cc(C=O)ccc1N,1,GDB ChEMBL
338612,OCCOC1C[NH2+]C2CC21,0,GDB ChEMBL
135423,[NH3+]C1CC2C(O)CC3C2OC(=O)C13,0,GDB ChEMBL
315182,CCC1(CC(O)CO)C[NH2+]CC[NH2+]C1C,0,GDB ChEMBL
310119,C#CC12CC[NH2+]C(CO1)C(O)C2C#N,0,GDB ChEMBL
375166,CC1C(C)C2C3CC3C(C1C)[NH+]2C,0,GDB ChEMBL
250584,CC(C)(C)c1cccc(C23CCC(CC2)C3)c1,1,GDB ChEMBL
50910,CC(=O)N1C2CCC1C1CC12,1,GDB ChEMBL
209421,COc1nc(C)c(C(C)CNC(N)=[NH2+])s1,0,GDB ChEMBL
299736,NC(=[NH2+])N1C(=O)NCC2C(O)C21,0,GDB ChEMBL
190418,CC1OCCCC([NH3+])C(O)C([NH3+])C1(O)C(=O)[O-],0,GDB ChEMBL
227625,CC1CC2(CC[NH2+]2)C(O)CC(CO)[NH2+]1,0,GDB ChEMBL
84263,CNC(=O)NCC(=[NH2+])NCC(=O)[O-],1,GDB ChEMBL
130451,CCCCC(O)CCOC12COC(C1)C2,0,GDB ChEMBL
274106,O=C1NCCCC(=NO)C12CC2,1,GDB ChEMBL
76414,FC(F)(F)C1C=CCN(C2COC2)CCO1,1,GDB ChEMBL
78284,CC1C2CC(C1C#N)C1(O)CCC(C[NH2+]2)C1,0,GDB ChEMBL
183481,CCCCCC1(CC)C=C(C)CC1C(C)C,0,GDB ChEMBL
365787,NC(=O)CCc1scc2nc(N)c(N)cc12,0,GDB ChEMBL
174948,C#CC1C2CCC(CCCCCC)C12,1,GDB ChEMBL
362380,CC#Cc1cc(CC(C)=O)c(F)cc1O,1,GDB ChEMBL
395984,CCC1CC(C)C2CCC(C1)C2(C)CC,0,GDB ChEMBL
12862,COCC1[NH+]=C(N)C2(COC2)CC1CC#N,0,GDB ChEMBL
214731,CCN=C1CCC(=O)N1C(=O)n1ccc(N)n1,1,GDB ChEMBL
205911,CCC(O)C1OCOC(=O)C1(C[NH3+])C([NH3+])CO,0,GDB ChEMBL
386659,[NH3+]C1COC(=O)C2OC(CO)C(O)C12,0,GDB ChEMBL
391451,Cc1sc(C2CCCCC2C)nc1C(O)C[NH3+],0,GDB ChEMBL
156117,N#CC1CC(CO)CC2CN12,0,GDB ChEMBL
263502,COCC1[NH2+]C(C)C1C(C)=O,0,GDB ChEMBL
190793,CC(C#N)NC1(C(=O)OCC[NH3+])CC(O)C1,0,GDB ChEMBL
201340,CC1CC2(O)C(O)C(O)C(C[NH3+])C2N1C(N)=O,0,GDB ChEMBL
4878,NC(=O)N1CCCNC(C(O)(C[NH3+])CO)C1=O,0,GDB ChEMBL
164673,CCN1C2C(O)CC(C#N)CC21C,0,GDB ChEMBL
70339,CCC1(C#CCO)CC(C(N)=O)CC1C,0,GDB ChEMBL
356544,CC1CC(O)C2CC1CC(C)(C)C(C)[NH2+]2,0,GDB ChEMBL
189799,CCC1CC(C)C2C(C)C=CC(C)C12,0,GDB ChEMBL
79239,CC1CC(C[NH+](C)C)C2NC2C1(C)O,0,GDB ChEMBL
230282,CC1(O)C2CC(O)C(C2[NH3+])C1CC(N)=O,0,GDB ChEMBL
317711,NC(=O)NC(=O)OC1C(O)CN2CC12,0,GDB ChEMBL
84479,[NH3+]C1C(NCCS(=O)(=O)[O-])C1C(=O)[O-],0,GDB ChEMBL
31385,CC1CCC2C(C1)C1CC(C)C2C1O,0,GDB ChEMBL
246792,COCC(C)OCC(C#N)NC(=O)C=O,1,GDB ChEMBL
89332,CCCC1(C)C(C)CC2COC1CCC(C)C2,0,GDB ChEMBL
21847,COCc1c2c(nn1CC(C)C)NCC2,1,GDB ChEMBL
200554,C[NH2+]CCCC1C(=N)OC1C(N)=O,0,GDB ChEMBL
115004,CNC(=O)C(C)C(C=NO)(CO)NC(N)=O,0,GDB ChEMBL
262527,O=C(C1CCC1O)N1CCC1,1,GDB ChEMBL
289263,N=C1CC(CN2CC2CCO)OC(=O)N1,1,GDB ChEMBL
100717,COC1(C(C)C)CCC2CC1CC(C)[NH2+]2,0,GDB ChEMBL
210986,CCC1CCCC2CC1C(C)C=C2C,0,GDB ChEMBL
279137,CCNC(=O)Nc1nonc1C=O,1,GDB ChEMBL
149290,CC12CCC3C(C=CC31)C2=O,1,GDB ChEMBL
308669,COC1CC2=CCCC23C(CC[NH3+])C13,0,GDB ChEMBL
203878,CCCOC(CC)CC#N,1,GDB ChEMBL
77814,NC(N)=[NH+]CC1C[NH2+]C1,0,GDB ChEMBL
60980,Cc1ccc(Br)c(Br)c1C1(C)CC1C(C)O,1,GDB ChEMBL
206829,CC1CC2OCC3C[NH+]1C(C)C32,0,GDB ChEMBL
370263,CCOC1CCC2CCC(C)C2(C)C1CCO,0,GDB ChEMBL
290177,CCCOc1nc2cnn3cccc3c2[nH]1,0,GDB ChEMBL
204344,NC(=O)C(O)C1(O)C(O)CC(C(=O)[O-])C1[NH3+],0,GDB ChEMBL
251802,CC(C)(O)C([NH3+])C1(CNC(N)=O)CC1(C)C,0,GDB ChEMBL
50362,C#CC1CC(C)[NH2+]C(CO)C1C,0,GDB ChEMBL
118864,C#Cc1cc2c3c(cn2CC)Cn2ccc1c32,1,GDB ChEMBL
70185,C#CC(=O)N(C=NCC)CC[NH3+],0,GDB ChEMBL
19363,CC1C=CCC(C[NH3+])OC(=N)CC(O)CC1,0,GDB ChEMBL
307605,CC[NH+](C)CC(C)(N)C(N)CC#N,0,GDB ChEMBL
390095,COc1nc(N)c2n1C(C(N)=O)CC([NH3+])C2O,0,GDB ChEMBL
337949,C=C1CCCCC(CC)CCC1C,1,GDB ChEMBL
188511,CC1CC2C=CN(C)C(=O)C1[NH2+]2,0,GDB ChEMBL
304484,Cc1cc(F)c2c(c1)OCC2(C)C,1,GDB ChEMBL
200955,C#CCC12CC(CCO)C(C)(C1)C1C[NH2+]C2C1,0,GDB ChEMBL
251020,CCc1ncc(N)c(C(N)=O)c1Br,1,GDB ChEMBL
254199,CC1[NH2+]C2CC1CCC2O,0,GDB ChEMBL
259678,CCn1cc([NH+]=C(N)NC(N)=[NH2+])c(CO)n1,0,GDB ChEMBL
147232,COC(=O)CC1(C)CC2CC=C(C)C1C[NH2+]2,0,GDB ChEMBL
140805,CC1C[NH2+]CC1C1OCCCCC1C,0,GDB ChEMBL
291490,Cc1cc2sc(CC(C)[NH3+])cnc-2n1,0,GDB ChEMBL
208257,CCOC12CC(=O)NCC1CC1OC12,0,GDB ChEMBL
341338,CC1C[NH+](CC2CC(C)([NH3+])CC(C)N2)C1,0,GDB ChEMBL
275611,CCCCC(CCC(=O)CCC)OC,1,GDB ChEMBL
201025,O=C1OCC2CC1N2CCO,1,GDB ChEMBL
180020,NC(=O)NC(CC[NH3+])C1OC1(CO)C(N)=O,0,GDB ChEMBL
119437,COCC(C)(O)C1(O)COc2cc(C)ncc21,1,GDB ChEMBL
39767,COCC1(C[NH3+])C(O)CCN1C=O,0,GDB ChEMBL
18361,CCCC12CCOC(C)(C)CC(CC1)CC2,0,GDB ChEMBL
61720,N#CCC(O)C1CC1,1,GDB ChEMBL
18929,CCC(C)CC1(C[NH3+])C=CCCCCC1,0,GDB ChEMBL
131873,CCC1=CCC(C)(CCC2CC2)CC1,1,GDB ChEMBL
7390,CCc1cnoc1C(F)(F)F,1,GDB ChEMBL
365734,C=C(C)CC1(C(CC)CC[NH3+])CC1,0,GDB ChEMBL
32016,C#CCC1(C(CC)c2ccco2)CCC[NH+]1C,0,GDB ChEMBL
215397,CC[NH+]1CC2CC(C1)C2(C)C(F)(F)F,0,GDB ChEMBL
334792,O=CC1CC(O)CN(C=O)C(=O)N1,1,GDB ChEMBL
195334,CCC(N)(C[NH2+]C)C(O)C(C)(O)C(N)=O,0,GDB ChEMBL
347890,CC1CC2C(C1)C2c1cccc(Br)c1Br,0,GDB ChEMBL
230481,Cc1[nH]c(=O)c(CCS(N)(=O)=O)cc1N,1,GDB ChEMBL
235493,CC1OC(=O)CC1(CC#N)CS(N)(=O)=O,0,GDB ChEMBL
27771,CCCCCCC1(C(C)(C)[NH3+])CC(C)C1,0,GDB ChEMBL
190304,CNC=[NH+]CC(N)C(OC)C(O)C(N)=O,0,GDB ChEMBL
254268,CC(CO)C1CC(CS(N)(=O)=O)C(C[NH3+])O1,0,GDB ChEMBL
75864,CNC(C(=N)NC(C)=O)C(C)CC#N,1,GDB ChEMBL
203475,Cc1cccc2c1CC1C=CC=CCC1C2,0,GDB ChEMBL
171854,C=CCC(C=C)Cc1cccnc1,1,GDB ChEMBL
128304,CCc1ccc(CC)c(C([NH3+])CC(C)C)c1Br,0,GDB ChEMBL
115761,CC1CC2c3ccc(Cl)c4[nH]cc(c34)C2(C)C1,0,GDB ChEMBL
71646,C[NH2+]C1CC2(C)CNC1(COC)C2C=O,0,GDB ChEMBL
81114,CCC(C)C1CC(C)C2C(C(C)C)CCCC12,0,GDB ChEMBL
173181,CCC1(OC(N)=O)CC(C[NH3+])C(O)(CC)C1,0,GDB ChEMBL
85806,NC(=O)C1CCC2[NH2+]C2C1,0,GDB ChEMBL
296592,C1CC2CC1CC2CC1C[NH2+]1,0,GDB ChEMBL
197421,COC1(C(=O)[O-])C(O)C(N)C([NH3+])C1O,0,GDB ChEMBL
350273,CC(C)=CC1C2CC2C(C#N)N1C,0,GDB ChEMBL
132724,CCC1C(CC[NH3+])C2C(O)C2[NH+]1C,0,GDB ChEMBL
391457,CCC(C)C1C[NH2+]CCc2ccc(O)nc21,0,GDB ChEMBL
173191,OCCNCc1noc(C(O)CO)n1,1,GDB ChEMBL
119963,CC(=O)OCC(C)(C[NH+]=C(N)N)S(=O)(=O)[O-],0,GDB ChEMBL
101937,CCCCC1OCC(C)([NH3+])C1C(=O)N(C)C,0,GDB ChEMBL
153278,COc1n[n-]c(=O)c(OCC(=O)[O-])n1,0,GDB ChEMBL
59589,NS(=O)(=O)CC[NH2+]CC1(O)CC1,1,GDB ChEMBL
127198,CC(=O)NC(=N)C1(N)CCC([NH3+])C1CO,0,GDB ChEMBL
99633,CC(CC(C[NH3+])OC(N)=[NH2+])OCC(N)=O,0,GDB ChEMBL
53074,CC1CC([NH3+])C2C(C)(C)CC1C2(C)O,0,GDB ChEMBL
235227,CC1CC2C3CC3C(CC[NH2+]1)C21CC1,0,GDB ChEMBL
23532,N=C(NC1COC1)N1C=CC(C(=O)[O-])S1(=O)=O,0,GDB ChEMBL
337821,[NH3+]Cc1[nH]cc(CCCO)c1O,0,GDB ChEMBL
377988,CCOCC1(N(C)C(C)=O)CC([NH3+])C1C#N,0,GDB ChEMBL
17451,CC1C2C(=O)NC(CO)C[NH+]1C2(C)CC[NH3+],0,GDB ChEMBL
28951,CCC1CC2CC(O)C(C)CCC1(C)C2,0,GDB ChEMBL
12751,COC(C(N)=O)C1(C[NH3+])CC2NC(=O)CC21,0,GDB ChEMBL
358121,Nc1conc1COCCCC(=O)[O-],1,GDB ChEMBL
31397,CC1CCC=Cc2cccc(Cl)c2C1,1,GDB ChEMBL
332475,C#CC(C#Cc1c(C)noc1C)C(=O)NC,1,GDB ChEMBL
75803,CCC1(C)CC2=CCC(C(C)O)CC2C1,0,GDB ChEMBL
77504,CC[NH+](C)C1CC2(CC2)C(C)(C)CC1C,0,GDB ChEMBL
202801,CC(=O)Nc1onc([O-])c1-c1ccc(O)cn1,0,GDB ChEMBL
172366,CCCC(C)CCNc1cc(F)cc(C=O)c1,1,GDB ChEMBL
252278,CC1(C(N)=O)OC(=O)N2CC2C1O,0,GDB ChEMBL
255132,C[NH2+]CC(=O)C(C)(C)CC[NH+]1CCCC1,0,GDB ChEMBL
305180,C#CC(CC(=C)CCC)C(F)(F)F,1,GDB ChEMBL
390467,Cc1nnc(C)n1C(C)C(O)C[NH3+],0,GDB ChEMBL
358143,[NH3+]CC1NC(=O)C(O)C2NC12C(=O)[O-],0,GDB ChEMBL
878,CC1=CC23C(C)OCCCCC2C3C1,0,GDB ChEMBL
383972,CCC(C[NH3+])C(C)N(C=N)C=[NH2+],0,GDB ChEMBL
130612,[NH3+]CC1OC2C[NH+]3CCC1CC2C3,0,GDB ChEMBL
181114,CCC#CC(Cc1cnsc1)C[NH+](C)C,0,GDB ChEMBL
383045,CC1=CC2C(C)CCCC2CCC[NH+](C)C1,0,GDB ChEMBL
276136,CC1(CNC(=O)CO)OCC1O,1,GDB ChEMBL
182897,CCC12C=C(C)CC1C(C)[NH2+]C2,0,GDB ChEMBL
263843,CC(C)(C)Cc1cc(C[NH3+])csccc(=O)[nH]1,0,GDB ChEMBL
316159,CC1=C(C)CC(C(F)(F)F)NC(C)C1,0,GDB ChEMBL
338918,COCCC1CC2C[NH+]1C2,0,GDB ChEMBL
114375,COCCC(CN(C=O)C(=N)N)OC=N,1,GDB ChEMBL
124532,[NH3+]Cc1scc2c1CC[NH2+]C2,0,GDB ChEMBL
151683,C#CC1C=CC(c2cccc(Cl)c2C)C1,1,GDB ChEMBL
26597,COC1(C)C(=[NH2+])NCC(O)(C(=O)[O-])CC1C#N,0,GDB ChEMBL
170414,CCC1(CC2CCC3CCC(C)CC32)CC1,1,GDB ChEMBL
325720,Cc1cc(=O)cc(NC=O)c(C#N)n1,0,GDB ChEMBL
174800,CC1CCCCCC2CC3(CCCCC3)CC12,0,GDB ChEMBL
132818,NC(=O)CC(N)=[NH+]Cc1csc(C[NH3+])n1,0,GDB ChEMBL
344396,NCC(=O)N1C=NC(CO)COC1=O,0,GDB ChEMBL
300462,CCC1CC(C)CC(C)(C2CC2C)C1O,0,GDB ChEMBL
330802,CC(=O)C1CC2=CCCC(C)(C)C2C[NH2+]1,0,GDB ChEMBL
238128,CC[NH2+]CCC(C)(OC(N)=O)C(C)=O,1,GDB ChEMBL
299139,CNC(=O)CC1C=CC(C#N)[N-]C(=O)C1,0,GDB ChEMBL
186633,C=CC1C2CCC=CCC1C(C)C2,0,GDB ChEMBL
80502,C[NH2+]C(CC=O)CCCc1cc(C)cc(F)c1,0,GDB ChEMBL
382072,CC#CC1(CCCC)CC(C#N)N1CC,0,GDB ChEMBL
16043,NC(=[NH2+])NC1C(O)C(O)CC12CC2CO,0,GDB ChEMBL
61536,CC1C(O)CC2c3ccccc3CC21,1,GDB ChEMBL
342345,CC(O)C1CCc2ncc(I)cc2C1,1,GDB ChEMBL
200705,COC1C(=[NH2+])N2C(CO)CCCC2C2CC12,0,GDB ChEMBL
388256,CC[NH2+]CC(CC#N)([N-]C(C)=O)C(F)(F)F,0,GDB ChEMBL
159874,C#CC1C([NH2+]C(C)C)CN2CCNC(=O)C12C,0,GDB ChEMBL
107055,COC(C#N)C(NC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
298076,CCC12C3COC1C(O)C(=O)N(C)C32,0,GDB ChEMBL
170140,CC(C)CC1(C2CCC(C)C2(C)C)CCCC1,1,GDB ChEMBL
27960,C#CC(C#C)c1cc(C)cc(CC)c1OCC,0,GDB ChEMBL
62824,CCCc1c(F)c(C)c(C)c2c1C1CCC2C1,1,GDB ChEMBL
204580,Cc1ccc(I)cc1CC(C)C1CC1,1,GDB ChEMBL
246406,CC(CC(N)=O)C(N)(CNC=O)C(N)=[NH2+],0,GDB ChEMBL
204416,CC1CCOCC1OCCC1CCC1,1,GDB ChEMBL
73315,CC1CCC2(CC([NH3+])C(O)CO)CC[NH+]12,0,GDB ChEMBL
197045,CC1C(C[NH3+])OCC2CC(C(N)=[NH2+])C1CC[NH2+]2,0,GDB ChEMBL
308103,CCC[NH2+]C(C)CC1(CC[NH3+])CN1,0,GDB ChEMBL
34208,O=C1CC(O)C(O)C2CC(N1)C(=O)C2=NO,0,GDB ChEMBL
242963,CN1C2CC3C1C(O)C2[NH+]3C,0,GDB ChEMBL
210413,C[NH+](C)C(CO)COC(N)=O,1,GDB ChEMBL
63089,N#Cc1cnc(C(=O)NCc2cnc[nH]2)s1,1,GDB ChEMBL
27808,CC1C[NH2+]Cc2c1cc(O)nc2Cl,0,GDB ChEMBL
210982,C#CCC12CCCC(C[NH+]1C(C)C)C2,0,GDB ChEMBL
352605,CC1C(c2ccsc2)CC12CCCOC2=O,0,GDB ChEMBL
140751,CC1CCc2snnc2CC(=O)N(C)C1,0,GDB ChEMBL
10990,CCCC12CC1CCCC(C)[NH+](C)CC2C,0,GDB ChEMBL
61974,CCC(CC)C1CC(O)(CO)C(C)OCC1C,0,GDB ChEMBL
274605,C[NH2+]C(C)(C)C1C2CC2C(OC)C1CO,0,GDB ChEMBL
33221,CNC(=O)C1CC(C(=O)[O-])[NH+]=C(N)C(C)C1[NH3+],0,GDB ChEMBL
345702,CCC12CCCOC1C=CCC(C)C2,0,GDB ChEMBL
299983,CNC(=O)c1oc(CC(C)[NH3+])nc1O,0,GDB ChEMBL
186638,COC(C#N)CC(CCCO)C(C[NH3+])C[NH3+],0,GDB ChEMBL
149924,C#CCC(CC#C)C1(C)CC(C)CC1C(C)C,0,GDB ChEMBL
93743,C#CCCc1cc(C2CC2)c(CC)c(N)[nH+]1,0,GDB ChEMBL
338565,CNC(=O)C(O)C(CC=O)C(=O)[O-],0,GDB ChEMBL
106000,O=CN1CCC(C#CCO)C1,1,GDB ChEMBL
304312,CCCC(C)(CC)C1C(C)C2CC2C1C,0,GDB ChEMBL
385926,[NH3+]CC1CC([NH3+])C(O)C(O)CC(CO)N1C=O,0,GDB ChEMBL
134448,CC12CC(CCCCC[NH3+])(OC1=O)C(O)C2[NH3+],0,GDB ChEMBL
45053,CC1CC1C(C)C(=O)NC(N)=O,1,GDB ChEMBL
347940,O=CC1[N-]S(=O)(=O)C2C3OCC(O)CNC132,0,GDB ChEMBL
201066,O=C1CC(CO)NC(=O)OCCO1,1,GDB ChEMBL
354869,CCc1cc(C2CC=CC2)ncc1Cl,1,GDB ChEMBL
19368,CC(C)=CC(C)C1CCC(C)C1O,1,GDB ChEMBL
182136,CC#CC[NH+]1CC(C)=CC=C2CCC1CC2,0,GDB ChEMBL
114816,C[NH+]1CC2(C)C=C(C(N)=O)C3C1C32C(=O)[O-],0,GDB ChEMBL
118367,NC(=O)C1C(=O)OC12CCC2,1,GDB ChEMBL
247353,CC1=CC(C)CC2OC(=O)C1CC2[NH3+],0,GDB ChEMBL
142492,CC(O)C1CC2NC(N)=[NH+]C21C(=O)[O-],0,GDB ChEMBL
58506,CCC1CCC(CC(C)C)C2(C)CC(C)CC12,0,GDB ChEMBL
36214,CCC(C)OC1CC2CCC1C2,1,GDB ChEMBL
313742,Cn1nnnc1CCOC(C)(C=O)CO,1,GDB ChEMBL
155055,C#CC(C)(CCC)CC1C(C)CC[NH2+]CC1C,0,GDB ChEMBL
68638,CCN(C)c1ccc(C(=O)CO)c(Br)c1,1,GDB ChEMBL
311639,CS(=O)(=O)NC1CC(CN)NC1=[NH2+],0,GDB ChEMBL
290267,C#CCC1C(C)C2C=CC1C([NH+](C)CC)C2,0,GDB ChEMBL
184895,CC(C=O)C(CO)C(C)C(=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
184303,CCCC(CO)CC(=N)OC,1,GDB ChEMBL
388268,CC1CC23CC2C1CCCCC[NH2+]3,0,GDB ChEMBL
230734,Cc1cc(F)c(C2CC2c2cccs2)cn1,0,GDB ChEMBL
77034,CCC1C=C(C)C(CC(C)=O)C(C)(C)O1,0,GDB ChEMBL
387268,CCCCC#CCC1C2CCC1C1CCC21,0,GDB ChEMBL
83103,CCC(C(O)C(C)O)C1CC(C)=CC1C,0,GDB ChEMBL
379203,C#CC1(CC)C2C3CCOCCC(CC3)C21,0,GDB ChEMBL
87115,N#CCCc1cnc(O)cn1,1,GDB ChEMBL
260531,C#CC1COCCC(C#N)(C(=O)NC)OC1=O,0,GDB ChEMBL
377009,CCOC(C)C([NH3+])c1ccsc1CC[NH+](C)C,0,GDB ChEMBL
276160,CCCCC1C=C(C(C)C)C2CC12,0,GDB ChEMBL
227627,CC[NH2+]C(C)C1CC2COC(O2)C1(C)O,0,GDB ChEMBL
361813,N#CCCC(CC#N)(CCO)NC1CC1,0,GDB ChEMBL
187191,C[NH+](C)C1CNC(=O)C2(N)CC(C)(C#N)CC12,0,GDB ChEMBL
337935,CCC(=O)N(CC)Cc1cccc(Cl)c1,1,GDB ChEMBL
24278,CC1[NH2+]C2C(O)C(N)C(=O)N(C(=N)N)C12,0,GDB ChEMBL
25991,[NH3+]CC1CCn2ncnc2N1,0,GDB ChEMBL
102297,NC1=[NH+]CC(CS(=O)(=O)[O-])N1CC[NH3+],0,GDB ChEMBL
70063,COCCC(=O)Oc1ncc(C)nc(=O)n1,0,GDB ChEMBL
221343,C[NH+](Cc1ccncc1Br)C1(C)CCC1,0,GDB ChEMBL
202800,CS(=O)(=O)CC1C2C(=O)C(CO)CCN12,0,GDB ChEMBL
235710,[NH3+]C1(CC(=O)[O-])C=CNC1=O,0,GDB ChEMBL
45900,C=C1CC2CC2(C(=O)[O-])C1CC#N,0,GDB ChEMBL
263479,CC1C2[NH2+]C(C)(CC2O)C2C(=O)NC(=O)C12,0,GDB ChEMBL
344346,CCC([NH2+]CCO)C(CC)OC,1,GDB ChEMBL
251942,CNc1ncc(N2CC([NH3+])(CO)C2)c(Cl)n1,0,GDB ChEMBL
277579,CCCCC1CCCC(C)(C)C1(C)CC,0,GDB ChEMBL
146043,CC([NH3+])(CO)C([NH+]=C(N)N)C(=O)[O-],0,GDB ChEMBL
276075,CC=CC=C1CCC(C)C1CCC,1,GDB ChEMBL
177857,CCCC1[NH2+]CC2OC2C(O)C1O,0,GDB ChEMBL
155077,C#CC1CCC(c2cccc(CO)c2)C1=O,1,GDB ChEMBL
58991,CCC1(CC)C(C)=CC=CC[NH+]2CCCC21,0,GDB ChEMBL
296263,CC(CC1CNC(=O)CS1(=O)=O)NC=O,0,GDB ChEMBL
26948,NC=[NH+]CCNCC([NH3+])CCO,0,GDB ChEMBL
264936,CNc1ccc(NC2CC(C)(C)C2)c(C)c1,1,GDB ChEMBL
141955,CC1CC(C)(C)C(CC(O)C(C)C[NH3+])[NH2+]1,0,GDB ChEMBL
184881,NC1=[NH+]C2CC(CCO)C1C2O,0,GDB ChEMBL
307884,CCN(C)C1(C#N)C2CC1C2,1,GDB ChEMBL
281816,CN1CC(C)(C)CC2C[NH2+]C2C1C([NH3+])CO,0,GDB ChEMBL
346980,CN1C(=O)NC2CCS(=O)(=O)N3C(C1=O)C23,0,GDB ChEMBL
70811,CC1=C2C(C(=O)[O-])CCCC2C(C(C)C)C1,0,GDB ChEMBL
74330,C#CC1(C[NH2+]CC(C)C)CCCC1[NH2+]C,0,GDB ChEMBL
379743,CC1C2COC(=O)NC(=O)C2NS1(=O)=O,0,GDB ChEMBL
65934,C[NH+](C)C1CC(=O)NC(=N)C2NC(=O)NC2C1,0,GDB ChEMBL
362670,CC1Cc2cc(I)ccc2CC1C1CC1,1,GDB ChEMBL
45915,CCC(C(=O)COC)C(C[NH2+]C)NC,0,GDB ChEMBL
225231,NC(=O)C(=O)CN1CCC1,1,GDB ChEMBL
242925,CC#CC1(O)CC=C(CCC)C1,1,GDB ChEMBL
7370,CC(O)CCC1CC(C)C2CCC12,1,GDB ChEMBL
182504,CC1CC=CCC2C1CC[NH+]2C,0,GDB ChEMBL
268123,C#CC=C(C)CCCC(C)OCC,1,GDB ChEMBL
5308,NC1=[NH+]CCCCCC(O)(C=O)C[NH+]=C(N)N1,0,GDB ChEMBL
26446,CC(CO)CN=C(N)NS(=O)(=O)CCO,1,GDB ChEMBL
360866,CCN1C(=N)C([NH3+])C(C)(OC)CCN(C)C1=O,0,GDB ChEMBL
24484,C[NH2+]CC(C[NH3+])C(N)(CO)CC#N,0,GDB ChEMBL
251908,CCCC(O)C1C=CC(CC)C1,1,GDB ChEMBL
111868,O=C([O-])C1NC2COC3C1C[NH2+]C23,0,GDB ChEMBL
377935,CCOC1CC=C(CC(N)=O)C1,1,GDB ChEMBL
317720,Nc1c2ncc(O)c1CNC(=O)COC(=O)N2,1,GDB ChEMBL
26823,CC[NH2+]CC1C=CC(C)(O)C1(C#N)CC,0,GDB ChEMBL
27777,CCCCC1C2CC3C(C[NH3+])C3CC12,0,GDB ChEMBL
2094,CC(CO)C([NH3+])C(O)Cc1nccc(O)c1Br,0,GDB ChEMBL
225383,N#CCCN=CN1C(=O)CC(O)C1C=NO,0,GDB ChEMBL
314127,CC1=CC2[NH2+]C3CC(C3)NC(=O)C2C1,0,GDB ChEMBL
215346,C[NH2+]C1CC2C(C(C)(C)C)CC1C2(C)CO,0,GDB ChEMBL
17539,CC(C)C[NH2+]CCOc1noc2c(N)nsc12,0,GDB ChEMBL
309689,CCCC1C2C=CCC1(C)CCC2C,0,GDB ChEMBL
184291,CCc1cc(OC(C)CNC(C)=O)ccc1Cl,1,GDB ChEMBL
321448,Cc1cc(C#N)cn1CC1CC1,1,GDB ChEMBL
77482,C=CC1CC(C)([NH3+])C1OC(=O)NC,0,GDB ChEMBL
375728,NC(=O)C(O)C(N)C(=O)NC(=O)CO,1,GDB ChEMBL
29440,N=c1cc(C[NH2+]CCC(=O)[O-])nc(N)s1,0,GDB ChEMBL
382196,CCC1C(C#N)C12CCC[NH2+]2,0,GDB ChEMBL
275591,C#Cc1c(C#CC)cnc(CC)c1C[NH2+]C,0,GDB ChEMBL
341868,C#CC(C=N[O-])(C[NH2+]C(C)CC[NH2+]C)OC,0,GDB ChEMBL
358156,C=Cc1ccc2c(c1)NCCCC2,1,GDB ChEMBL
184236,COC1(C)CC[NH2+]CC(O)C1,0,GDB ChEMBL
277992,CC(C)Cn1cc(C(N)=[NH2+])c(=N)cn1,0,GDB ChEMBL
332668,CCCC12CC(CC[NH3+])C=CCC1C2C#N,0,GDB ChEMBL
275668,C#CCC1CC2(C)CCCC1C2CCCC,0,GDB ChEMBL
127865,CC(CC(=O)[O-])c1c(N)cnn1C,0,GDB ChEMBL
99825,C[NH+]=C(N)OC1CCN(Cc2ncon2)C1=O,0,GDB ChEMBL
252607,COC(CC1CCCCO1)C(C)CCC(C)O,0,GDB ChEMBL
72001,CC1CCC([NH3+])c2ncc(N3CC3)cc2C1,0,GDB ChEMBL
311032,CC(=O)NC1=NCC(=O)OC1,1,GDB ChEMBL
148955,O=C([O-])COC1C2CC(CO)[NH2+]C21,0,GDB ChEMBL
363783,CC[NH+]=C(N)NCCC1=NCCO1,0,GDB ChEMBL
259656,CNC1CC([NH3+])C2(CC2CO)OC1=O,0,GDB ChEMBL
252630,Nc1cc(C=O)nc(NC=O)n1,1,GDB ChEMBL
118699,Oc1cc(F)ccn1,1,GDB ChEMBL
334724,CCNC(=O)OC1(C)C(C)C1O,1,GDB ChEMBL
181354,CCNc1cc(Br)c(C(C)C)c(C2CC2)n1,1,GDB ChEMBL
290559,CCCC=C1CC(C)CCC1CO,1,GDB ChEMBL
259136,N#CC1(c2nccc(O)c2Cl)CC1,1,GDB ChEMBL
284769,[NH3+]CCCNC(=O)c1cnn[n-]1,0,GDB ChEMBL
117379,CCCC1C(C)CCC2CC1CCCC2CC,0,GDB ChEMBL
5008,C#Cc1c(C)cc(F)c(N)c1C1CCC1,1,GDB ChEMBL
320273,CC(=O)N(C(C)=O)C1C=C(C)CC[NH2+]CC1,0,GDB ChEMBL
236751,COCC1(O)C[NH2+]CC1C[NH3+],0,GDB ChEMBL
122672,CC(C)n1ccc(C(O)C(F)(F)F)c1O,1,GDB ChEMBL
170099,Cc1cc(C[NH3+])c2c(C(=[NH2+])N(C)C)[nH]nc2n1,0,GDB ChEMBL
330379,CCOC(C)(CC(CC)CO)C(O)C=O,0,GDB ChEMBL
84507,CC[NH+](C)CC([NH3+])CC1CC([NH2+]C)CN1C,0,GDB ChEMBL
271025,C[NH2+]CC1(C)CC=CC=CC1,0,GDB ChEMBL
215846,O=C([O-])C(O)C1C2C[NH2+]CC21,1,GDB ChEMBL
7417,CC1=CC2CC2C(C)[NH+](C)C(CO)C1,0,GDB ChEMBL
208439,CCC1(C)C(C)C12CCCC[NH+]2C(C)C,0,GDB ChEMBL
29447,CC=Cc1cc(O)c(CC)c(Cl)n1,1,GDB ChEMBL
304151,NC(=O)N1CC12C(=O)NC(CO)CC2O,0,GDB ChEMBL
18890,Cc1cc(I)cc(C(C)(C)OCC(C)(C)C)c1,1,GDB ChEMBL
385970,C#CCCC1=CC2CC(C1=O)C(C)[NH+]2CC,0,GDB ChEMBL
211008,CCC1=C(C)CC=CC(=O)NCC=C1,0,GDB ChEMBL
274211,CC[NH+](C)CC(C1CC1)C1[NH2+]CC1C,0,GDB ChEMBL
288610,CC(C)CC12CC(CC1=O)C2,1,GDB ChEMBL
2966,CCC1C2CC(C)C1(C[NH3+])CCC2CC(C)C,0,GDB ChEMBL
86738,COCC1OC(N)=[NH+]CC(N)C(O)C1C,0,GDB ChEMBL
17092,CC(=O)c1cc(C(F)(F)F)ccc1C,1,GDB ChEMBL
198781,O=C1CS(=O)(=O)CC2CCCN12,1,GDB ChEMBL
124853,CC1(O)C(=O)NCC=C1CS(N)(=O)=O,0,GDB ChEMBL
301415,CC#CCNC(=O)c1nncnc1NC,1,GDB ChEMBL
191686,CCCc1c[nH]c(C)c1C,1,GDB ChEMBL
306284,CC(CO)C(NC(N)=O)C1NC1C#N,0,GDB ChEMBL
258223,CC1=CCOC2C([NH3+])CCC1C2O,0,GDB ChEMBL
230761,CCC1C(CC(C)OC)C2C=CC[NH+]2C1C,0,GDB ChEMBL
388230,CC1CCCC(C(F)(F)F)CC1=O,1,GDB ChEMBL
109208,CCCC(=O)N1C=CCOCC1=O,1,GDB ChEMBL
218313,C#CCCC(Cc1c(C)cccc1F)C(C)C,1,GDB ChEMBL
223543,C[NH2+]C1C(C(C)C)C1(C)C(F)(F)F,0,GDB ChEMBL
41039,Cc1c(CC#N)ccc(=[NH2+])n1CCCC(=O)[O-],0,GDB ChEMBL
382130,O=C1NCC2CC3OCC2C13,0,GDB ChEMBL
277688,CC(C)[NH2+]C1C(OC(C)C)C(C)OC12CC2,0,GDB ChEMBL
62593,CCC1CCCC1(C)CCC(CC)(CC)CC,1,GDB ChEMBL
81084,Cc1[nH]cnc1C(O)C(=O)NCC[NH3+],1,GDB ChEMBL
167330,CCC[NH2+]CC1=CCC(C)C1O,0,GDB ChEMBL
111495,CCCC(C)(C#CC(C)C)[NH2+]C(C)C1CC1,0,GDB ChEMBL
5269,CCC(O)C1C(C)C(C)C1C,1,GDB ChEMBL
377326,CCC1COC2C[NH2+]C3CC=C(C)C(C3)C12,0,GDB ChEMBL
254928,Nc1cc2c(=O)[nH]ncc2c(O)c1O,1,GDB ChEMBL
289800,C#Cc1cc2c(Br)cccc2c(N)c1C,1,GDB ChEMBL
378092,CCC1CC(C)CC2C(=O)C(C)C([NH+](C)C)C12,0,GDB ChEMBL
247162,C#CC1COC(C)(C)CCC1C(C)CC(C)C,0,GDB ChEMBL
79255,CC[NH2+]CC(OC(C)C#N)C(=O)[O-],1,GDB ChEMBL
6487,C#CC1C=C(C)CCC2CC([NH3+])CC12C,0,GDB ChEMBL
321776,CCC1C2C=CC1(C)CC(C[NH2+]C)C2C,0,GDB ChEMBL
28242,C[NH2+]C(C)C1CCC([NH3+])C(C[NH+](C)C)C1(C)C,0,GDB ChEMBL
6113,CC1CC2CCC(CCO2)C12CC2,0,GDB ChEMBL
153308,CC(COC(=O)CN)NC(=O)Oc1ccsc1,1,GDB ChEMBL
259683,CCCC1(C)CC2C3C=CC(C4CC34)C2C1,1,GDB ChEMBL
341133,CS(=O)(=O)C1CC2(C(N)=O)NCC1OC2=O,0,GDB ChEMBL
153727,C#CC1C(C#C)C(CCC(F)(F)F)C1CC,0,GDB ChEMBL
235718,C[NH2+]CC(C)(O)C(=O)Nc1cnnnn1,0,GDB ChEMBL
170265,CC1CC(C(F)(F)F)CC2(CC2)C[NH2+]C1C,0,GDB ChEMBL
124770,O=C1NC2CNC1C1CC(O)C2S(=O)(=O)N1,0,GDB ChEMBL
374212,CC1(CC(=O)CNC(N)=[NH2+])CCC1,0,GDB ChEMBL
225809,O=C(NCCCCO)NCS(=O)(=O)[O-],0,GDB ChEMBL
45979,COCC1(C)NC(=O)C2CC1[NH2+]C2C,0,GDB ChEMBL
76821,CC(C)[NH2+]CC1CCC(C)C(C)CC1C,0,GDB ChEMBL
143462,COC1CC1(C#N)[N-]S(=O)(=O)CCO,0,GDB ChEMBL
51873,CC1(OCC(N)=O)OC(C[NH3+])C2OC(=O)NC21,0,GDB ChEMBL
261458,Cc1ccnc(CC[NH3+])c1Cl,0,GDB ChEMBL
124332,C[NH2+]CCC1CC(C#N)C(=O)N2CC2CN1,0,GDB ChEMBL
135812,Cc1ccnc(C2=CC3(CC3)CC2(C)C)c1,1,GDB ChEMBL
291528,CC1NC(=O)OC2COCC13OC23,0,GDB ChEMBL
222553,NC1(C2COC(=O)C(O)C2[NH3+])CNS(=O)(=O)C1,0,GDB ChEMBL
195540,Cc1ccc(CCCC(C)(C)C(C)C)c(I)c1,1,GDB ChEMBL
65600,CC(NC1C2C1(O)CCS2(=O)=O)C(N)=O,0,GDB ChEMBL
76929,CC1=CCC(C#N)C1C(F)(F)F,1,GDB ChEMBL
342352,CN1CCC(O)C1(C#N)C(C)(O)CO,0,GDB ChEMBL
233889,CC1CC1C[NH2+]C1CCC1NCC#N,0,GDB ChEMBL
227495,CCC1(C(C)S(C)(=O)=O)CC(C[NH2+]C)C1,0,GDB ChEMBL
395592,C#CC(O)c1c(F)cc(F)c(C(F)(F)F)c1C,1,GDB ChEMBL
358555,CC1(CO)OC(CO)C([NH3+])C1CC[NH3+],0,GDB ChEMBL
119782,C=C(NS(C)(=O)=O)C(C#N)CC(=O)[O-],0,GDB ChEMBL
106665,C#CCCC1(CCC)CC(CC)CC1O,0,GDB ChEMBL
205944,C[NH2+]C1C2COCCC2C2CN2C1C,0,GDB ChEMBL
328918,CC1CC(CN)[NH+](C(C)CO)C1,0,GDB ChEMBL
18903,Cn1cc2c(n1)NCC(C([NH3+])C(C)(C)C)O2,0,GDB ChEMBL
375174,Cn1c(C(N)=O)c([O-])c(O)c1C(N)=O,0,GDB ChEMBL
108181,CC(C)CNC(C#N)C(C)C1CC1,1,GDB ChEMBL
95491,Cc1cc[nH]c1CCC1CC1,1,GDB ChEMBL
280899,CCC1CCC(C)C1[NH2+]C1CC1,0,GDB ChEMBL
57294,COC(C)C12C=C(C)CC1[NH2+]C2,0,GDB ChEMBL
215367,CCOCCC(C)(O)CCC#CCOC,1,GDB ChEMBL
395632,CCN(C)C1C[NH2+]C1C(C)C,0,GDB ChEMBL
261415,CNC1C(NS(C)(=O)=O)C1(N)C[NH3+],0,GDB ChEMBL
288645,C[NH2+]CC1([NH3+])CC2CC(C1)C2C(C)C(C)O,0,GDB ChEMBL
197230,CC1OCC(C)N(C)c2cc(O)cc(=O)cc21,0,GDB ChEMBL
53705,CCCC1CC2C(C[NH2+]C)OC1C21CCC1,0,GDB ChEMBL
103934,CCCC(=O)OCc1[nH+]c[nH]c1N,0,GDB ChEMBL
170136,N=C1N(C=O)CCN1c1cccc(F)n1,1,GDB ChEMBL
288439,NC(=O)NC1C(=O)OC(CCO)OC1CCO,0,GDB ChEMBL
332658,NC(=O)Oc1ccsc1C(=O)[O-],1,GDB ChEMBL
380560,CC([NH3+])CCc1ncoc1CC(=O)[O-],0,GDB ChEMBL
287337,C#CC1=CCOC(CC)C1,1,GDB ChEMBL
323972,CCC12CCCC[NH2+]CC1CC(C)[NH2+]2,0,GDB ChEMBL
173889,C#CC(CCC)c1cc(C)cnc1C=O,1,GDB ChEMBL
50234,Cc1ccc(C(=O)CC(O)CO)n1C,1,GDB ChEMBL
333107,NC(=O)Nc1noc(C2CC2)c1[O-],0,GDB ChEMBL
43569,CC[NH+](C)CC1OC2OCC3CC([NH3+])CC1C32,0,GDB ChEMBL
383910,COCc1nc(=N)ncc(C[NH3+])c(C)cc[nH]1,0,GDB ChEMBL
22595,CCc1csc(C(C(=O)CO)c2cccs2)n1,1,GDB ChEMBL
376658,COC1C2C[NH2+]C1C(C)C1CCC2CC1C[NH3+],0,GDB ChEMBL
249450,COCc1ccc(Br)c(Br)c1,1,GDB ChEMBL
347952,CC1(O)C2OCC(O2)C1(O)C(=O)[O-],0,GDB ChEMBL
18860,CCCCC1=CCC2CN2CC[NH2+]C1,0,GDB ChEMBL
367788,C#CC[NH+]1CCCC2(CCCCC2)CC1C,0,GDB ChEMBL
74323,C=C(C)C1(C(C)CC)C=CCCC1,1,GDB ChEMBL
391821,N#CC12CC1OCC(=O)[N-]2,0,GDB ChEMBL
25250,O=CNc1csc(CCC(O)CO)c1O,0,GDB ChEMBL
289398,N=C1NC(C(N)=O)C2C(O)C2N1C(N)=O,0,GDB ChEMBL
99081,CC(C)C1(CC2CC2)CC2CC2C1,1,GDB ChEMBL
354612,C1#CCCc2ccccc2CC=CC1,1,GDB ChEMBL
45080,CC(CO)C[NH2+]CC1CC1(C)[NH3+],0,GDB ChEMBL
234273,CNC(=O)c1nc(C)n2cnc(C[NH3+])nc12,0,GDB ChEMBL
393584,CCC1C2CC(C#N)CN12,0,GDB ChEMBL
29633,CCOc1cc2c(NC)c(C)cn2nc1F,0,GDB ChEMBL
31052,C#CC1CNS(=O)(=O)CCC1O,1,GDB ChEMBL
308313,C[NH+]1CC2C=CCC(CCO)C(O)CC1C2,0,GDB ChEMBL
130610,Cc1c(C[NH3+])cccc1N1CCC(C(C)C)C1,1,GDB ChEMBL
17339,C#CC(CCC)OC(C)(C)C,1,GDB ChEMBL
17582,CC1(C(N)=O)CNC(=O)CCS1(=O)=O,0,GDB ChEMBL
222816,CC1OC(C[NH3+])C2NC1C(O)C2O,0,GDB ChEMBL
47735,CCC1CNC(=O)C=CC2(CC2)C[NH2+]1,0,GDB ChEMBL
50090,CCC1CCC(O)(CO)C(=O)N1,0,GDB ChEMBL
234250,COC(CO)(C(N)=O)C(=O)OC(C)(C)C#N,1,GDB ChEMBL
167310,CCCCC(N)=[NH+]c1cc(N)c(CO)c(Cl)c1,0,GDB ChEMBL
131909,CC(C)C1C2CN1c1ccc(F)cc12,1,GDB ChEMBL
26310,[NH3+]Cc1c(C(=O)[O-])sc(CC(O)CO)c1CO,0,GDB ChEMBL
77076,CC(C)(C[NH2+]CCO)c1cc(I)cc(C[NH3+])c1,0,GDB ChEMBL
339950,CCC12CCC(CC[NH2+]C)N1C2,0,GDB ChEMBL
386513,CCCC1(C)C=CC(CC)CC(OCC)C1,0,GDB ChEMBL
380326,CCC1([NH3+])C(=N)NC(=O)C1O,0,GDB ChEMBL
254869,CCCC(=O)c1cnc(N)c(C)ccsc1O,0,GDB ChEMBL
27014,C#CC#CCc1c(Br)cccc1C(C)=O,1,GDB ChEMBL
104374,Cc1cc(C)c(CC(C#N)C(C)(C)O)c(I)c1,1,GDB ChEMBL
244515,CCC1C2CCCCC2C2(C)CCCCC12C,0,GDB ChEMBL
161758,C#CCC1(CO)C[NH2+]C(C)CC(N)C1C#N,0,GDB ChEMBL
386173,CCOC1C2C=CCCC=C(C)CC21,0,GDB ChEMBL
62543,CC#CC[NH2+]CC(N)C(O)C[NH3+],0,GDB ChEMBL
300921,CCCC12CCC(C(C)CC)C1(C)CO2,0,GDB ChEMBL
12864,COCC1=CC(=O)C(C)C(C)C1,1,GDB ChEMBL
81112,N#CCC(CC[NH3+])NC=O,0,GDB ChEMBL
146059,CCN1C2C(O)CC3(OC(=O)[N-]C3=O)C21,0,GDB ChEMBL
304865,CCCC1CC2OC23C(C)CC[NH2+]C13,0,GDB ChEMBL
194249,CCn1ncc2cc(CC(=O)[O-])cnc21,1,GDB ChEMBL
375551,CC1CC2CC=C3CCCCC3(C)C2C1C,0,GDB ChEMBL
190468,N#CC(C=O)CC1COC(=[NH2+])NCCN1C=O,0,GDB ChEMBL
194296,N=C1OC(CO)C1CNC(N)=[NH2+],0,GDB ChEMBL
334145,CCOC1CC(C)N(C)c2ncnn2C1,1,GDB ChEMBL
86712,CCCC1C2CC(C)C1CC=C2CC,0,GDB ChEMBL
314958,C[NH2+]CC1(O)CC1S(=O)(=O)NC1COC(=O)C1,0,GDB ChEMBL
280641,C#CC1Cc2c(C)cc(CC)c(F)c2C1,1,GDB ChEMBL
252625,C#CCCC(C)C1CCC(CC)(CC)C1OC,0,GDB ChEMBL
288471,CC=C(C1CC1)C(CC)C(C)(C)C,1,GDB ChEMBL
139833,CC1[NH2+]CC2C(C(=O)[O-])C(CS(=O)(=O)[O-])C12,0,GDB ChEMBL
228865,CC1CC(O)C(C(N)C[NH3+])OC1S(N)(=O)=O,0,GDB ChEMBL
258318,CCC(C)CC1CC(CO)(CO)[NH+]=C1N,0,GDB ChEMBL
177201,C#CC1NC(CC)C[NH+]2CCC(C)NCC12,0,GDB ChEMBL
317588,CC(C)Oc1nc(O)c(CNC(=O)C[NH3+])[nH]1,0,GDB ChEMBL
297270,CC[NH+]=C(CNC(C)=O)NC1CC(CO)C1,0,GDB ChEMBL
61490,CCCCC1(C)CCC(c2ccc(I)cc2)C1,1,GDB ChEMBL
143481,C[NH2+]C1C2CC(OC)C(=O)C21,0,GDB ChEMBL
216187,[NH3+]CCN1C=[NH+]CC1CO,0,GDB ChEMBL
362999,CC#CCC1(OC(=O)CNC)COC1,1,GDB ChEMBL
378914,CCC1(C[NH2+]C)CC(=O)CC1C,0,GDB ChEMBL
382626,CCCC1CC=CCCCC=CC1,1,GDB ChEMBL
314168,CCCC1OC2CC1CCC2CC,1,GDB ChEMBL
37649,C#CCC(=[NH2+])NC1CCCCOC1C(C)CO,0,GDB ChEMBL
248884,COC1CC(O)C1(NC(N)=[NH2+])C(N)C(=O)[O-],0,GDB ChEMBL
244549,NC(=O)CNS(=O)(=O)c1scnc1C=O,1,GDB ChEMBL
234220,O=C1CCCC=CC2CC(=CCO2)C1,1,GDB ChEMBL
391675,CC(C)(O)C1CC2CC(O)CCC23CC13,0,GDB ChEMBL
194764,N=C(COC(N)=O)NC(=O)C(=O)CO,1,GDB ChEMBL
67386,O=CC1OCCNC(=O)C1O,1,GDB ChEMBL
194513,C#CC1CCC(OC)C1(C)CCC(C)(C)C,0,GDB ChEMBL
59637,CC1C[NH2+]C2CC(O)CC([NH3+])C12,0,GDB ChEMBL
379409,CCCCC1CN(CC(C)[NH3+])CC1[NH2+]C,0,GDB ChEMBL
84904,O=C1CC2CC(O)C3C[NH2+]C2C3O1,0,GDB ChEMBL
180947,CC[NH+]1CCCC(C)(C)C1C(=N)N(C)C=O,0,GDB ChEMBL
395607,CCC1OCC=C(C)C(C)(CC)C1CO,0,GDB ChEMBL
370242,CCC(CCc1ccc(I)c(I)c1C)C(C)C,1,GDB ChEMBL
160990,CC1(O)CCNS(=O)(=O)OCCNC1=O,0,GDB ChEMBL
22841,C[NH2+]CC1CC2C(C(N)=O)N12,0,GDB ChEMBL
79296,CC1CCN(CC[NH3+])C2C[NH2+]C12,0,GDB ChEMBL
186682,CC1OC(=O)C(N)C([NH3+])CC1CO,0,GDB ChEMBL
343278,CNC1CC=CCC(C)(C#N)OC1=O,1,GDB ChEMBL
218582,CNC(CO)(CC(C)C)C(C#N)NC=O,0,GDB ChEMBL
351323,O=C1C(CCO)C2C3[NH2+]CCOC1C32,0,GDB ChEMBL
39739,CCCCCC(C)Cc1ccn[nH]1,1,GDB ChEMBL
112386,CCC1(OC)C[NH2+]CC(C)(C)C[NH2+]C1,0,GDB ChEMBL
71470,CC1=CC(C)(CCC2CCCC2)CC(C)C1,0,GDB ChEMBL
274588,CC(CO)CN(C)C(C#N)CNS(C)(=O)=O,1,GDB ChEMBL
227738,C[NH2+]C1CN=C(N)C1(O)CO,0,GDB ChEMBL
78656,CNC1=[NH+]Cc2cn(C)nc2CN1C(N)=[NH2+],0,GDB ChEMBL
245813,CCC(=O)CCNc1nonc1NC(N)=NC,1,GDB ChEMBL
86745,CC(=O)OC1CC1(O)C(=O)CO,0,GDB ChEMBL
332364,C1=C2CCC(CCOCC1)C2,1,GDB ChEMBL
345462,CC[NH+](C)CC12CCC(CC(C)([NH3+])C1O)C2,0,GDB ChEMBL
277742,N#CCCCCC1([NH3+])CCOC1,0,GDB ChEMBL
144525,O=C1NC2C3CC(O1)C(O3)C2O,0,GDB ChEMBL
44664,C#CCCCC(C[NH3+])(CCn1cccc1)OC,0,GDB ChEMBL
66171,CC(C)(NC=[NH2+])C(O)c1ccccc1NC=O,0,GDB ChEMBL
202833,CCC1C(=O)CCC2=CC(O)C(C)N2C1=O,0,GDB ChEMBL
341156,CC1=CCC[NH2+]Cc2ccoc2C1,0,GDB ChEMBL
122947,C#Cc1ccc(C2CCCC3CC32)cc1Cl,1,GDB ChEMBL
256005,C#CCC1CCCC([NH2+]C)CC(C)C(C)C1C,0,GDB ChEMBL
338920,CCN1CC[NH2+]C(C)C(CC)(OC)COCC1,0,GDB ChEMBL
66750,Cc1cc(Cc2cc[nH]c2C(C)C)no1,1,GDB ChEMBL
235620,CC1CC2C=CC1C(=O)O2,0,GDB ChEMBL
240781,CCC1C([NH3+])C(C)C(CC[NH3+])N1C=O,0,GDB ChEMBL
198623,N#CC(O)C1NC(=O)CNCCNC(=O)C1N,1,GDB ChEMBL
35465,CCCCCC1C=C2C(C)CCC2C1,1,GDB ChEMBL
132855,COCC1C2CC1C([NH3+])c1ccc(Br)cc12,0,GDB ChEMBL
59604,CCC1Cc2ncccc2C([NH3+])C(C)CO1,0,GDB ChEMBL
44670,C[NH2+]CC(c1csc(C(=O)[O-])n1)C([NH3+])C(=O)[O-],0,GDB ChEMBL
351295,CNC(=O)C1(C)CC(C(O)C#N)N1C,0,GDB ChEMBL
156077,C[NH2+]C1C(=O)C2Cc3c(C)cncc3C1(C)C2,0,GDB ChEMBL
215296,C[NH2+]C1C(=NO)CC(C)C12C(=O)OCC2O,0,GDB ChEMBL
289998,CCC(C(N)=O)C1C(O)C(C=O)C1O,0,GDB ChEMBL
132466,C[NH2+]C1C(C[NH3+])C1(O)C(=O)[O-],0,GDB ChEMBL
354478,CCNC(C=O)C(=CS(N)(=O)=O)CO,0,GDB ChEMBL
137057,CC1CCC(=O)NC(=N)CO1,1,GDB ChEMBL
24547,CN=C1OCC(O)C(=O)OC1CC([NH3+])C(C)O,0,GDB ChEMBL
300141,CCC1(CC)CC2C[NH+](C)CC(C)=CC2[NH2+]1,0,GDB ChEMBL
162533,NC(=O)Nc1cc(O)c([O-])n(CCO)c1=O,0,GDB ChEMBL
389502,C[NH2+]CC(C)(C)Cc1c(CCO)noc1N,0,GDB ChEMBL
38157,CC1CC12Cc1c(F)ccc3c1C2(C)CC3,0,GDB ChEMBL
115866,CCc1c(C)nc(OCC2CO2)c(Br)c1C,1,GDB ChEMBL
186631,[NH3+]CC1NC(=O)C2OC2C1Nc1ncns1,0,GDB ChEMBL
227922,CC1C(=O)N(C(=N)N)C(=O)C1O,1,GDB ChEMBL
103438,NC(=O)C(O)C(O)C1C(=O)NCC1O,1,GDB ChEMBL
195530,CC1CC(CC2C[NH2+]C(C)C2)CC[NH+](C)C1,0,GDB ChEMBL
294216,CC(O)COCC1(C#N)CN1,1,GDB ChEMBL
228464,COC(=O)C1=CC(C)CC2CC1(O)C[NH2+]2,0,GDB ChEMBL
350721,CCOCCc1cc(Br)c2c[nH]cc2n1,1,GDB ChEMBL
391822,CC(C)[NH2+]C1(CN(C)C)CC1C,0,GDB ChEMBL
332445,CC1([NH3+])Cc2cc(Cl)cc(Cl)c2C1,1,GDB ChEMBL
18942,CC(O)C(=O)CC(=O)NC(=N)NC=O,1,GDB ChEMBL
174799,CC(=O)C1CC(C)(Oc2cnc(C)cn2)C1,1,GDB ChEMBL
29725,CC(O)C([NH3+])C(O)CC1C=CS(=O)(=O)N1,0,GDB ChEMBL
332343,CC(CC1([NH3+])CC1)C1NC1C(=O)[O-],0,GDB ChEMBL
111603,CC#CC(CS(C)(=O)=O)[NH2+]C,0,GDB ChEMBL
161957,CCC1CCC=CC#CCOC1,1,GDB ChEMBL
104734,N#CC1(C(N)=O)C2COC(=O)N21,0,GDB ChEMBL
391612,Cc1nc[nH]c1COC(C)CCC(C)(C)O,1,GDB ChEMBL
179339,CC1COC2(C[NH3+])CC2N1C,0,GDB ChEMBL
319210,CCC1(C)CC(C(C)C)C=CC1CC(C)C,0,GDB ChEMBL
217669,C=CC1=C(C=C)CCC(CC)CC1,0,GDB ChEMBL
340454,O=S1(=O)CCNC2C(CC1)C1OC2C(O)C1O,0,GDB ChEMBL
273689,CC12C(C[NH2+]C1C(=O)[O-])CC([NH3+])C(C#N)C2O,0,GDB ChEMBL
66668,C#CCc1cc(C)c(O)c(OC)c1C(F)(F)F,1,GDB ChEMBL
324285,N#CC(CS(N)(=O)=O)N1CC1C(=O)[O-],0,GDB ChEMBL
11688,NC(=O)NCC(=O)COCCO,1,GDB ChEMBL
302457,CC(C)CCC1C[NH2+]CCc2nocc2C1=O,0,GDB ChEMBL
163842,CCC(O)C1[NH2+]C(C)C2C(CCO)C12,0,GDB ChEMBL
252322,CC1NC2C(C[NH3+])C2C1[NH+](C)C,0,GDB ChEMBL
29909,CN(C)C(C)(CNC(=O)OCC(N)=[NH2+])C(N)=O,0,GDB ChEMBL
39706,COC1C(=O)N2C(C(=O)[O-])C2C1(N)C[NH3+],0,GDB ChEMBL
118123,CC1C(OCCC(=O)[O-])C(=[NH2+])NC1C([NH3+])CO,0,GDB ChEMBL
366564,CC(=O)C1CC2C(C1O)N2C(C)=O,0,GDB ChEMBL
83499,COCC1(C)C(C)C2CC(O)C1C2,1,GDB ChEMBL
183465,CC(C)(CCCC#CCCO)C(=O)C(=O)[O-],0,GDB ChEMBL
135385,CC(NS(=O)(=O)C1CC1C(=O)[O-])C(O)CO,0,GDB ChEMBL
85815,CCN(CC)Cc1ncc(Br)cc1OC,1,GDB ChEMBL
271797,N=C1CC(NC(N)=[NH2+])C2(CC2CC(=O)[O-])O1,0,GDB ChEMBL
255321,C#CC(C)C(C#N)C([NH3+])CC(C[NH2+]C)C(=O)[O-],0,GDB ChEMBL
53696,CCCCC1(C)CC2C=CCC1C2C,0,GDB ChEMBL
201372,CC#CC1=CC(=O)N2CCC2C(C)C1,0,GDB ChEMBL
133979,O=C([O-])C1(C(=O)[O-])CC(O)C(CO)O1,0,GDB ChEMBL
332666,N#CC[N-]C(=O)c1cnc(=O)on1,0,GDB ChEMBL
299985,CC1([NH3+])CC([NH3+])C(CC#N)C1CC(N)=O,0,GDB ChEMBL
287375,CCC1CCC(C)(C)C#CCC(C)C[NH2+]1,0,GDB ChEMBL
122738,CCCn1c(C)cc2cc(C)c(=O)cc(C)c21,1,GDB ChEMBL
235968,N=C1NC2c3c(F)cccc3CCCC12O,0,GDB ChEMBL
227789,NS(=O)(=O)CN1CC(CO)OC1=O,0,GDB ChEMBL
98521,CC1CC2CC=CCC([NH3+])C2C1,0,GDB ChEMBL
5840,CCCC1C(CC2CC2)[NH+]1C,0,GDB ChEMBL
323323,CC1=CC(C2OC(=O)N3CC23)C(C)C1,0,GDB ChEMBL
345777,CCNC1(C(N)=O)CN=C(N)NC(=O)OC1,0,GDB ChEMBL
316452,CC1=CC[NH+](C2CCC(C[NH3+])CC2)C12CC2,0,GDB ChEMBL
278135,C#CC(C)(CO)C(=O)CCC,1,GDB ChEMBL
359114,CC(O)C(O)C([NH3+])(CO)CS(N)(=O)=O,0,GDB ChEMBL
24531,CC1COC(=N)C1NCC[NH3+],0,GDB ChEMBL
348479,NC(=O)C1C(O)C(CO)[NH2+]CC12CN2,0,GDB ChEMBL
150098,C#CC(C)C1(CC2CC[NH+](C)CC2)CCCC1,0,GDB ChEMBL
106646,CC1C=CCC2CCOC3CCCC3(C)C12,0,GDB ChEMBL
304287,CC(C)CC1CC([NH3+])CC2(C)CCC1C2,0,GDB ChEMBL
76920,COCC1(NC(=O)CO)COCC1C(N)=[NH2+],0,GDB ChEMBL
125636,N#CC(O)C(=O)NCCNC=O,1,GDB ChEMBL
47786,Clc1ccc2c(c1)CCC1CCC1C2,1,GDB ChEMBL
76764,CC(C)CC1=CC=CCc2ccc(F)cc21,1,GDB ChEMBL
143472,CCOCCC1(C)C[NH2+]CC1(C)[NH3+],0,GDB ChEMBL
63111,NC(=O)C1(C=O)C(C(=O)[O-])C1C(=O)[O-],0,GDB ChEMBL
246991,CCCCC1(C)CCCC1CCC(C)(C)CC,1,GDB ChEMBL
204474,C#CCCc1c(CC)ccc(N)c1N,1,GDB ChEMBL
225849,CCC#CC1(CC)CCC=CCC1,1,GDB ChEMBL
50975,CC(O)C1C=C(NC(N)=O)C[NH+]1C,0,GDB ChEMBL
55518,C#CC([NH3+])C(c1cccnc1O)C(N)CC#N,0,GDB ChEMBL
190001,CCC(=NCCCC(C)(C)O)OC=O,1,GDB ChEMBL
254987,CC1(OC(N)=O)C(=NO)CCC1O,1,GDB ChEMBL
112444,COCCC(CC=O)C1(C)CC2CCC(C1)O2,0,GDB ChEMBL
76759,CC1CC2COC(CC[NH3+])C3C(N)C3[NH+]2C1,0,GDB ChEMBL
91176,CCC#CCC(CCC)Cc1[nH]ccc1C,0,GDB ChEMBL
332370,CC1CNC(=O)C2(C[NH3+])COCC12O,0,GDB ChEMBL
297027,C#CCC(C)(C)COC(=O)NC,1,GDB ChEMBL
209431,CCC(=N)OCC(CC(=O)[O-])C(O)CO,0,GDB ChEMBL
231137,OCC1=Cc2oc3ccc(Br)cc3c2NC1,1,GDB ChEMBL
147376,CCC1C2=CCC=CCC1C(C)(C)C2,1,GDB ChEMBL
180999,CC1C(O)CC2CC(N)C1[NH+]2C,0,GDB ChEMBL
165972,C[NH2+]C(C)C(C)N(C(=O)C1CN1)C(C)CO,0,GDB ChEMBL
155070,C#CC([NH3+])C1C(C(C)COC)CCC1(C)C,0,GDB ChEMBL
157078,C[NH2+]CC1CC(C)(O)C2CCN12,0,GDB ChEMBL
203261,CC[NH+]1CC2Cc3c(F)cc(F)cc3C2C1,0,GDB ChEMBL
133032,CCC1CC[NH2+]CC2(CC(C=O)[NH2+]C)CC12,0,GDB ChEMBL
73855,COCCC1CC(C)CCCC12CCCCC2,1,GDB ChEMBL
79591,CC1CCC2(C[NH2+]C2)C1[NH3+],0,GDB ChEMBL
126821,CCc1cc(C2(C)CC(C)(C)CCC[NH2+]2)c[nH]1,0,GDB ChEMBL
199436,C#Cc1cc(OCCc2cccc(C)c2)c[nH]1,1,GDB ChEMBL
338635,COCC(C[NH3+])OC(=O)NCC(=O)NC=N,0,GDB ChEMBL
344292,CC(C)CC(O)Cc1scnc1O,1,GDB ChEMBL
204424,CCCC(O)C1C(=O)C2CC[NH2+]C2C2CC21,0,GDB ChEMBL
177840,C[NH2+]CCCOC(=O)C(=O)[O-],0,GDB ChEMBL
39929,CC1CC(=[NH2+])NCC1C(C[NH3+])OC(N)=O,0,GDB ChEMBL
44106,CN1C2CC(C)(CO)C(CC[NH3+])C21,0,GDB ChEMBL
3782,CCOCc1nc(N)c(C)c(=NC)[nH]1,1,GDB ChEMBL
74316,CC(O)CC([NH2+]CC1CCOC1)C(N)=O,0,GDB ChEMBL
265499,COC(CO)C(O)CS(C)(=O)=O,1,GDB ChEMBL
6018,CCC(=O)Nc1ocnc1C(C)O,1,GDB ChEMBL
113480,CCC1(C(C)C(C)[NH2+]C)CC1,0,GDB ChEMBL
279123,CCCC12CC(C)(CC1CC)C(C=O)C[NH+]2C,0,GDB ChEMBL
200698,O=CC1CCC[NH2+]C1C1CO1,0,GDB ChEMBL
18363,CC1C(=O)N(C)C(c2cnsc2)C2CCN12,0,GDB ChEMBL
374939,C#CCOc1cc(OCC)c(Cl)c(Cl)c1C=O,1,GDB ChEMBL
31322,C[NH2+]C(C(=O)[O-])C(N)(COC)C(C)[NH3+],0,GDB ChEMBL
119937,CCC1[NH2+]C2CC1NC(=[NH2+])NC(N)=[NH+]CC2O,0,GDB ChEMBL
25138,CCC1(NC(C[NH3+])C(=O)[O-])CNC1C#N,0,GDB ChEMBL
37591,C#CCOC1CC1C(O)C[NH3+],0,GDB ChEMBL
207376,CCC(C)C1[NH2+]CC1C(C)(CC)C(C)C,0,GDB ChEMBL
214871,[NH3+]CCC(=O)OC1OCCC1(O)CO,0,GDB ChEMBL
277835,CC1CC2CCCC(C)C(C)CC2[NH+](C)C1,0,GDB ChEMBL
358453,CC12CCC([NH3+])CC(CC1(C)CCCO)[NH2+]C2,0,GDB ChEMBL
398836,CNC(=O)C1NC2(C)CC2C1=O,0,GDB ChEMBL
244553,CC(C)C12CCCOC1C2[NH3+],0,GDB ChEMBL
222169,COC1C(C(=O)[O-])C(O)C2OC21CO,0,GDB ChEMBL
337789,C#Cc1noc2c1CC(C)(CCCC)C2,0,GDB ChEMBL
340456,CCOC1CC2(C=C1CO)CC(C)C2,0,GDB ChEMBL
33536,CCC1C(O)C2OC(=O)C(O)C1C2C,0,GDB ChEMBL
305486,CCCC=CC1CC(C)C=CC[NH2+]1,0,GDB ChEMBL
35446,CCOC1C(C)[NH2+]C(C(=O)[O-])C(O)C1(O)C[NH3+],0,GDB ChEMBL
38179,NCC1(CC([NH3+])C(N)=O)C(CO)N1C(N)=[NH2+],0,GDB ChEMBL
277130,CCCC(CC)C1C2CCC(C)C[NH+]21,0,GDB ChEMBL
204179,CCC[NH2+]C1C(C)C1(C)N,0,GDB ChEMBL
57285,CNC(=O)C([NH3+])C(O)CC1(CO)COC(=N)N1,0,GDB ChEMBL
186732,CCn1nc(NC)nc1NCC1CC1,1,GDB ChEMBL
352801,[NH3+]CCC1CNS(=O)(=O)CC[NH2+]C1,0,GDB ChEMBL
21585,C#CC1CC(O)C([NH+](C)C)C1C1CC1,0,GDB ChEMBL
16772,CCCC(CC(C)C)C(C)CC(C)C,0,GDB ChEMBL
199029,COCC1CC(NC(=O)C(C#N)NC=[NH2+])C[NH2+]1,0,GDB ChEMBL
85669,CC1=NC2CC(CC(C)CC[NH3+])CC2O1,0,GDB ChEMBL
72025,CC(CC1(C)C=CCC1C)C(C[NH3+])CO,0,GDB ChEMBL
127001,CCC1C[NH+]=C2NC(C)c3cccc(I)c3C21,0,GDB ChEMBL
337432,NC(=O)C(=O)N1CCC1,1,GDB ChEMBL
136156,CCC[NH2+]CC[NH2+]CCC,0,GDB ChEMBL
254907,CCCC#Cc1cc(CC[NH2+]C)sc1C,0,GDB ChEMBL
315273,CC1CNCC(C#N)N1C,1,GDB ChEMBL
117331,CC1[NH2+]CC2CC1(O)C2,0,GDB ChEMBL
12843,C[NH2+]Cc1ccc(Br)c(C)c1C1C[NH2+]CC1O,0,GDB ChEMBL
259590,CCC(O)C1OCCC(C)(C)C1O,0,GDB ChEMBL
70765,CC1C[NH+](C(C)(C)C)CCNC(=O)CC1(C)C,0,GDB ChEMBL
134446,CCCCC1[NH2+]CC(C[NH3+])CC=C1C[NH2+]C,0,GDB ChEMBL
266447,CCC1C2CC([NH3+])CCOC(C)CC12C,0,GDB ChEMBL
277842,CCOC1C(O)C(C)OC1C(O)C(=O)[O-],0,GDB ChEMBL
395116,CCC(C(C)CO)[NH+](CC)CC,1,GDB ChEMBL
359055,Cc1cc(N)cc(C)c1CC(C)[NH2+]C(C)CO,0,GDB ChEMBL
132255,CCC1(C)C(C)CC2C(C)=CCC1C2(C)C,0,GDB ChEMBL
369892,C#CC(CCO)C(=O)OCC,1,GDB ChEMBL
383013,CCCc1c(Cl)c2c(c3c1CCC3)CCC2,1,GDB ChEMBL
388301,O=C(CCO)C(=O)OCCn1cncn1,1,GDB ChEMBL
278838,C#CC12C[NH+](CC)C3CC1C2C3,0,GDB ChEMBL
38554,CCNC(=O)C(=O)Nc1c(N)nc(O)nc1I,1,GDB ChEMBL
270989,CCCC1(CC)CC(C)(C)CCCC1C,0,GDB ChEMBL
343967,Cn1c(=NCC=O)[nH][c-](C#N)c1=O,0,GDB ChEMBL
190477,CCC1CC1C1CCCC=CC[NH2+]C1C=O,0,GDB ChEMBL
109734,CC(C)c1ccc(Cl)c2c1CCC=C2,1,GDB ChEMBL
125628,CC(=O)NC(C#N)C1NC1CO,1,GDB ChEMBL
141987,[NH3+]C1CC([NH3+])C(O)C2NC2C1O,0,GDB ChEMBL
15574,CCNc1nccc(Cl)c1C#CS(C)(=O)=O,1,GDB ChEMBL
390121,CNC(=O)C([NH3+])CC1(OC)C2CCC1(C)C[NH2+]2,0,GDB ChEMBL
337425,NC(=[NH2+])NCCC(=O)NC=O,1,GDB ChEMBL
304615,CCCCC(C)(CC)CCCC(C)[NH2+]C(C)C,0,GDB ChEMBL
77787,CCC(=O)C(C)Cn1ncnn1,1,GDB ChEMBL
395608,CCC1CC2(CC)CC1[NH2+]C2CC,0,GDB ChEMBL
290173,C[NH+](C)CC(O)C1CC(=O)C(O)C(O)C(O)C1,0,GDB ChEMBL
255991,CC1(O)C2NC(C(CO)OC2=O)C1O,0,GDB ChEMBL
331693,NC(=O)C12CC(O)CC1C2C([NH3+])C(=O)[O-],0,GDB ChEMBL
312247,[NH3+]C(CO)(CC(=O)[O-])C1=CNCCNC1=O,0,GDB ChEMBL
200563,Cc1cc(Br)c(C#CC2CC2C)c(Br)c1,1,GDB ChEMBL
263234,C#CCC(N(C=O)CC#C)C(C)(C)C(N)=[NH2+],0,GDB ChEMBL
363567,CN(C)c1nc(N)c(O)n1C,1,GDB ChEMBL
394366,CCC1CC(C)=CCCO1,1,GDB ChEMBL
95927,CC1Cc2ncc(cn2)CC2=CCC1CC2,0,GDB ChEMBL
366011,C[NH+]1C2CC3(CO)CCC2CC13,0,GDB ChEMBL
112384,CCCC1CC1(O)CCC(C)C,1,GDB ChEMBL
395974,CCCCCC=C1CCCCC1C,1,GDB ChEMBL
336638,CC1OCCNC2=NC1CC(=O)N2,0,GDB ChEMBL
373998,CC1CC(C)(CCCCCO)CC(=O)CO1,0,GDB ChEMBL
114353,CC1(c2csc(CCCC=O)n2)CC1,1,GDB ChEMBL
240801,C=Cc1ccc(F)c(C(=C)C)c1O,1,GDB ChEMBL
13901,COC(C)CC(C#N)C(C[NH3+])C1C[NH2+]CC1[NH3+],0,GDB ChEMBL
307983,COCC(C(O)CO)N1CC1CO,0,GDB ChEMBL
174292,N#Cc1cnc2nc(=NCC=O)scc2c1,0,GDB ChEMBL
5011,N#CCc1cccc(CO)nc1=O,0,GDB ChEMBL
391589,C#CC(CO)CCC1=C(CC)CC[NH2+]CC1,0,GDB ChEMBL
6551,CNC(C#N)C=CC=CCCCO,1,GDB ChEMBL
120846,CC([NH3+])C(=O)NCCC(C)([NH3+])S(=O)(=O)[O-],1,GDB ChEMBL
213985,Fc1ccc2c(c1)CC1(C=C2)CCC2CC21,1,GDB ChEMBL
268114,Nc1cc[nH+]c(N)c1OCC=O,0,GDB ChEMBL
179466,C#CC(C#C)CCCCC(C)(C)C(C)C,1,GDB ChEMBL
127292,CNC(=O)C(O)C(C)C1(N)C[NH2+]C1,0,GDB ChEMBL
358420,NC(=O)c1nc(-c2nnn[n-]2)ncc1F,0,GDB ChEMBL
321824,CCC1CC2[NH2+]CC=CC2C1CC,0,GDB ChEMBL
283397,CCc1c(I)ccc2c1C1CCCC1C2,1,GDB ChEMBL
266218,C#CCC1C=C(C)CC(O)C1,1,GDB ChEMBL
227960,Cc1ncc(O)cn(C)c(=O)c(C)c(C)n1,0,GDB ChEMBL
338908,CC(C)C(=O)NC(=O)C[N-]C(=O)C(O)C#N,0,GDB ChEMBL
312853,CC(=O)CC(O)C[NH+]1CCC(COC=N)C1,0,GDB ChEMBL
152014,COc1nc(Cl)c(C)cc1N(C)C,1,GDB ChEMBL
379890,CCC(OS(N)(=O)=O)C(O)C(=O)OC,1,GDB ChEMBL
249512,CCC(C)CC(=O)NC(=N)CO,1,GDB ChEMBL
375750,CC(C)CCCC1=CCCCCC12CCC2,1,GDB ChEMBL
206806,CC1(O)CC2C(C1O)N2C(=[NH2+])NCC#N,0,GDB ChEMBL
37663,CC(=O)NC1CNC2CS(=O)(=O)NC1C2[NH3+],0,GDB ChEMBL
194429,CC(O)C(C)C1(O)CC(CO)C1,0,GDB ChEMBL
389486,C#CCCC1=CCC(C)C1[NH3+],0,GDB ChEMBL
172331,CCCC1C(C)CCOC1C(C)(O)C#N,0,GDB ChEMBL
218554,C=Cc1c(F)cccc1C1CC1C,1,GDB ChEMBL
314921,CNC(=O)C([NH3+])CCCc1conn1,0,GDB ChEMBL
280770,CC1CC(O)C2C(C[NH2+]1)N2C=O,0,GDB ChEMBL
181653,CCCOC1(C)C[NH+](CCC)C1CC,0,GDB ChEMBL
92878,CC1(CC(N)=[NH2+])OCCCC(=O)NC(=O)C1=O,0,GDB ChEMBL
366537,NC(=[NH2+])NC(=O)NC1C(O)C1C[NH3+],0,GDB ChEMBL
48047,CCC(CO)N(C)CC(O)S(N)(=O)=O,0,GDB ChEMBL
3828,COC(=O)N(C(=N)C[NH3+])c1nccs1,0,GDB ChEMBL
368189,CCC(C)C(c1cccc(Br)c1Br)C(F)(F)F,1,GDB ChEMBL
362835,CC1(C(=O)[O-])CC([NH3+])C1CS(N)(=O)=O,0,GDB ChEMBL
176512,COC12COC(CNC1=O)OC2,1,GDB ChEMBL
115905,CCCOC1CC1C1CN1C,0,GDB ChEMBL
156013,CCC(CO)C1CC(CC(C)C)OC1C,0,GDB ChEMBL
119954,CCCC(O)c1nnsc1NC(=O)OC,1,GDB ChEMBL
281627,C#CCC1CCC2CC[NH2+]C12,0,GDB ChEMBL
338251,CCC([NH2+]C)C(C(C)(C)O)C(C)(C)C=O,0,GDB ChEMBL
372658,CCNC1C(C#N)[N-]C(=O)C([NH3+])C1(C)O,0,GDB ChEMBL
257979,[NH2+]=C1NC(C[NH3+])CC(O)C([NH3+])COCO1,0,GDB ChEMBL
29457,CCc1n[nH]c2c1cc(C)c1[nH]c(=O)oc12,1,GDB ChEMBL
375516,CCCC1Cc2ccccc2C2CC12,1,GDB ChEMBL
235685,C#CC1(OC)CCC(C)C(CCCO)CC1C,0,GDB ChEMBL
9798,CC1=CCNC(=O)CCC2(CCC2)C1=O,1,GDB ChEMBL
203757,CC([NH3+])c1c(N)c(C#N)c2[nH]ccc2c1[O-],1,GDB ChEMBL
391644,NC1C(C[NH3+])NS(=O)(=O)CCC([NH3+])C1O,0,GDB ChEMBL
87112,NS(=O)(=O)C1C2C3C(O)CCN3C(=O)N21,0,GDB ChEMBL
252342,CS(=O)(=O)N1C2C3NCC(O)C(OC3=O)C21,0,GDB ChEMBL
99132,CC(=O)N1C2CC(O)(C(=O)[O-])CC21,0,GDB ChEMBL
333642,CC(O)C(C(N)=O)C(C#N)NC(N)=[NH2+],0,GDB ChEMBL
140816,C#Cc1ncc(CC(CO)[NH2+]C)cn1,0,GDB ChEMBL
159896,CCN(CC)C(=O)c1ncno1,1,GDB ChEMBL
194767,C#CC(N(CC)C1CCC1)C(F)(F)F,1,GDB ChEMBL
179117,CC(C1C[NH2+]C1)n1ccc(CS(C)(=O)=O)n1,0,GDB ChEMBL
368232,CCCC1C([NH3+])C12CCC(O)C2C#N,0,GDB ChEMBL
230401,O=C(CC1CN1)Nc1ccsc1,1,GDB ChEMBL
374208,C#CC(C)NC(=O)c1nc(C#N)cc(=N)[nH]1,1,GDB ChEMBL
369885,CCC(O)C1CC2C(C3CCN2C3(C)C)[NH+]1C,0,GDB ChEMBL
151240,CC1NCC(C(N)=O)N(C)CC(O)C1[NH3+],0,GDB ChEMBL
81541,CCOC1CNC=NC(C#N)(CC[NH3+])C(O)C1,0,GDB ChEMBL
156721,CCC1(C)CC2COCC(=O)CN2CC[NH+]1C,0,GDB ChEMBL
195563,[NH3+]CC1NC2(CC1C(=O)[O-])C([NH3+])C2O,0,GDB ChEMBL
391811,CNCC(C#N)NC1CC1(C)COC,1,GDB ChEMBL
148734,C#CC(C)(CCC)C(C)(C)OCC(C)C,0,GDB ChEMBL
117380,CC(O)(CCO)CC1=CCC=CCC1O,0,GDB ChEMBL
235617,CC(O)(C#N)C(O)CNS(C)(=O)=O,1,GDB ChEMBL
292310,CC1OC23CNS(=O)(=O)C2C3(C(N)=O)C1O,0,GDB ChEMBL
274624,CN1CC(O)(C(N)=O)C(=O)C2CC1CO2,0,GDB ChEMBL
318795,OC1CC2CCC3[NH2+]CCC2C13,0,GDB ChEMBL
369859,CC1CCCC2(C)C(C)CC[NH2+]CCC2C1C,0,GDB ChEMBL
214719,NC=[NH+]C(CO)C(O)C(N)C(N)=O,0,GDB ChEMBL
336643,CC(CCCC#N)C1(C)CNC(=[NH2+])N1,0,GDB ChEMBL
182246,C#CC(COC=O)C(C(C)CC)[NH+]1CCCC1,0,GDB ChEMBL
252619,CCCCC(C(CO)CC#N)C1(O)CC1,0,GDB ChEMBL
15530,N#CCC1NC1C(O)C(O)C(O)C(N)=O,0,GDB ChEMBL
255507,CCCC1(C)CC=CC(C)=CC1C(C)=O,0,GDB ChEMBL
376631,COC(C(N)=[NH2+])C1NC(C(=O)[O-])CC1[NH3+],0,GDB ChEMBL
67609,CCOC1(C(=N)N)OC(CO)CC1(O)C(=O)[O-],0,GDB ChEMBL
54775,C#CC1(CCOC(C)C)CO1,1,GDB ChEMBL
274190,CCN1CCC(C)C23C4C[NH2+]C2(C1)C3OC4,0,GDB ChEMBL
388405,CCCC1CC2C3COCC(C2C1)C(C)(O)C3,0,GDB ChEMBL
115988,CC(=O)N(C)C1C([NH3+])C(O)C(O)C1C[NH3+],0,GDB ChEMBL
20144,CCCC(C)(C)C1CC=C(C)CC1,1,GDB ChEMBL
161807,CCCC(C)CN(CCC)C(=O)C1=NCCN1,1,GDB ChEMBL
112745,CC(O)C1(C)CCC(C)(C)C(CCCCO)[NH2+]1,0,GDB ChEMBL
379395,C[NH2+]CC1(C(C)[NH3+])CNC(=O)C(O)C1C,0,GDB ChEMBL
309180,NC(=O)NC(CO)C1COCO1,1,GDB ChEMBL
38715,CC12CN(CCS(=O)(=O)C1CO)C2C(N)=O,0,GDB ChEMBL
284369,CCC12CCCC1C([NH3+])CCCC(OC)CC2,0,GDB ChEMBL
247505,Cc1nc(C(C)OCC[NH3+])no1,0,GDB ChEMBL
132820,CCC=CCc1cn(CC#N)cn1,1,GDB ChEMBL
83026,OCC[NH2+]CCc1n[n-]c(O)n1,0,GDB ChEMBL
323954,NCC(=O)Oc1cc(N)c(=O)[nH]c1CO,1,GDB ChEMBL
61672,COc1cc(Br)c(C2C(C)C2C)c(C)n1,0,GDB ChEMBL
181509,CN1C(=O)CC=C1C(F)(F)F,1,GDB ChEMBL
26368,CC1(NC(N)=[NH2+])CNCC([NH3+])C1O,0,GDB ChEMBL
87512,CC1(C)OC2CCCC1C[NH2+]CC(=O)C2(C)C,0,GDB ChEMBL
90290,O=COc1cc(F)cc(F)c1NCCCO,1,GDB ChEMBL
188476,Cn1cc(C(C[NH3+])C(N)C#N)nn1,0,GDB ChEMBL
240826,CCC([NH2+]C)C1CCC(C)C1=O,0,GDB ChEMBL
77344,CCC1[NH2+]CC(O)C23CC12C(C[NH3+])C(=O)O3,0,GDB ChEMBL
143479,CCN(C=O)CCNC(=O)OC(=N)C(N)=O,1,GDB ChEMBL
206945,Clc1ccc(N2C=NC3(CC2)CC3)nc1,0,GDB ChEMBL
101900,CC1CC(CO)NC(=[NH2+])O1,0,GDB ChEMBL
393544,[NH3+]CC1C2CC1NC(=O)C(=O)N2,0,GDB ChEMBL
73846,COC(C)C(C)C1(C)OCC([NH+](C)C)CC1O,0,GDB ChEMBL
372642,CN1CC2(C#N)CN=C(CC(=O)NC1=O)N2,1,GDB ChEMBL
186569,C[NH2+]CCCCC1(C)C(=N)OC(C)C1[NH3+],0,GDB ChEMBL
80308,C#Cc1ncc(C2(C)C3CCCC32)cc1F,0,GDB ChEMBL
50916,C#CC[NH+]1Cc2scnc2C2CC(C)CC2C1,0,GDB ChEMBL
341154,CCOC(C)C(C)C1C([NH2+]C)C1(O)C=O,0,GDB ChEMBL
35674,CC[NH2+]CCOC1(C)C(N)C1[NH2+]C(C)C,0,GDB ChEMBL
78339,Cn1cc2c(n1)OCC(C(=O)[O-])=C2,1,GDB ChEMBL
354753,CCC(C=O)C12COC(=O)NC1C(OC)CO2,0,GDB ChEMBL
223313,CCN(C(C)=N)C(=O)[C-](C=O)C(C)=O,0,GDB ChEMBL
350702,CCCC(c1cc(Br)ccc1C)C(CC)OC,1,GDB ChEMBL
151812,Cc1cnc2n(c(N)cc(O)c1)CCO2,0,GDB ChEMBL
290131,C#CCC(C)C1[NH+](C)C2CC(C2)OC1(C)C,0,GDB ChEMBL
382095,C[NH2+]C(CO)C12C=CC(C)(O)CCN(C1)C2,0,GDB ChEMBL
312868,CCC1C2CN1CC(=O)OCC(=O)N2,1,GDB ChEMBL
31814,CCCCC1(C2CC2C(C)CC)CCCC1,0,GDB ChEMBL
115268,O=C1C=CC(CC2=NCCO2)N1,1,GDB ChEMBL
286984,C=CCC(C)=CCC(C)=CC(=O)[O-],0,GDB ChEMBL
24493,CC(C)C1CCCC12Cc1cccc(Br)c1C2,1,GDB ChEMBL
294443,C#CCCCC(C)CCC1(C)CCCC(C)C1,0,GDB ChEMBL
160344,N#Cc1cc2c(cn1)CCC2[NH3+],0,GDB ChEMBL
61684,CCC1CC2C([NH3+])C2CC1OC,0,GDB ChEMBL
316473,CCCC1C(C)C2C=C(C)CC1(C)CC2C,0,GDB ChEMBL
60943,CC12NC(=O)CCCOC1C2O,0,GDB ChEMBL
8646,Cn1cc(C([NH3+])CNCC[NH3+])c(CO)c1C#N,0,GDB ChEMBL
54827,CCOC1(CCOC)C[NH2+]CC1CNCC#N,0,GDB ChEMBL
274064,C#Cc1ccc2cc(Br)c(N)c(C)c2c1CC,1,GDB ChEMBL
375448,Cn1nnc2c1C(CO)CNC(=O)N2,0,GDB ChEMBL
195268,C=C(C1=CCOC1CC[NH3+])C(C)C,0,GDB ChEMBL
378876,CC1CC2CC2[NH+](CCCO)C1CC=NO,0,GDB ChEMBL
136023,NC(C(=O)[O-])C1C([NH3+])C(O)C(CO)N1CCO,0,GDB ChEMBL
174206,CC(C)(C)C1CN(CC#N)C(=O)C=C1N,1,GDB ChEMBL
249599,CC(C)CC[NH+]=C(N)NC(=O)C(C#N)=N[O-],0,GDB ChEMBL
67588,CCC([NH3+])C1CN1C(=O)C1CO1,0,GDB ChEMBL
42550,C#CC(C)(O)C1(C)c2c(Br)cccc2CC1C,0,GDB ChEMBL
240770,CCNc1c(N)nsc1CNC(=O)CO,0,GDB ChEMBL
71287,COC(=O)NC(C)C(C)[NH3+],1,GDB ChEMBL
132211,CC[NH2+]C12CCCC1(NC(N)=O)C2,0,GDB ChEMBL
314963,C#CC1CC[NH+]=C(N)CCCc2ccc1cn2,0,GDB ChEMBL
26867,CCCC(C=O)C1CC1C(=O)[O-],0,GDB ChEMBL
323157,CC1(C)[NH2+]C2CC1C1Nc3cccnc3C21C,0,GDB ChEMBL
362073,CC(CC(N)C[NH2+]C1CC1)[NH2+]CC(C)(C)C,0,GDB ChEMBL
254850,CN1CC[NH+]=C1C(N)C(N)(C#N)C(=O)[O-],0,GDB ChEMBL
29696,CC1C([NH3+])C(=O)NCCC1C1(C)CO1,0,GDB ChEMBL
168422,CC1CCCC1(C)CCO,1,GDB ChEMBL
119946,CN(CC(=O)N(C)C(=O)CO)C(N)=[NH2+],1,GDB ChEMBL
198779,CC1C2CN(C)C(C#N)(C2)CC1C(C)(C)C,0,GDB ChEMBL
360863,NS(=O)(=O)C1CC([NH3+])CC(O)C(CO)O1,0,GDB ChEMBL
228827,C#CCCNC(=O)C(C)NC=O,1,GDB ChEMBL
355406,CC1OC(CO)=NC1CNc1cnc(N)cn1,0,GDB ChEMBL
177847,O=C1[N-]S(=O)(=O)C2CC2NC1CO,0,GDB ChEMBL
222568,Cc1cccc2c1CC(C)C2[NH+](C)C,0,GDB ChEMBL
15537,CCC[NH+](C)CC1CN1S(C)(=O)=O,0,GDB ChEMBL
44138,C[NH2+]C1C(C=O)C1C[NH+]=C(N)N,0,GDB ChEMBL
362220,COC1C([NH3+])CN(C)C1(C#N)C(C)(C)C#N,0,GDB ChEMBL
20481,Cc1nc(C)c(CC2=CCCC2)cc1O,1,GDB ChEMBL
263314,C#CC1([NH3+])C=CCC(C)CC1CC[NH2+]C,0,GDB ChEMBL
234931,NS(=O)(=O)C1OC2CCN3C(=O)OC1C23,0,GDB ChEMBL
108184,COC1C[NH+]=C(N)C1C,0,GDB ChEMBL
358603,C[NH2+]C1C(C)C(C[NH3+])C(C)(O)C1[NH+]=C(N)N,0,GDB ChEMBL
263544,Cc1c(N)nn(C2C[NH2+]CC2C)c1C,0,GDB ChEMBL
101484,CC(CC=O)C(C#N)C1COC(=O)N1,0,GDB ChEMBL
256153,CCC1(CC)C2=CCCCCC2CCC1C,0,GDB ChEMBL
259413,Cc1cccc(O)cc2cc(n1)C(=[NH2+])N(C)C2,0,GDB ChEMBL
119931,CC[NH2+]CC(C)C([NH3+])CC1OC1C,0,GDB ChEMBL
106648,CC12CCC(O)COC(C)(CC1)C[NH2+]2,0,GDB ChEMBL
160865,[NH3+]CC1OCC(O)(CO)C1O,0,GDB ChEMBL
398816,CCC(CCOCC(N)C[NH3+])C(=O)[O-],0,GDB ChEMBL
289422,N#CC(N)c1ncnn1CCO,1,GDB ChEMBL
48507,CC1CC2C3C4CC[NH+](C)C4C2C13,0,GDB ChEMBL
23989,N=C(N)c1ncsc1NC(=O)C(=O)[O-],0,GDB ChEMBL
23479,C#CC(CC)C(C)=O,1,GDB ChEMBL
58137,CN(CC#N)CC(C)(C)C,1,GDB ChEMBL
215691,C=C(C)C(C#N)C(C)CC(F)(F)F,1,GDB ChEMBL
222066,COCC(N=C(N)C(=O)[O-])C(O)CC#N,0,GDB ChEMBL
87006,CC1CCC23CC1C(C2)[NH+](C)C3,0,GDB ChEMBL
126838,CCC1=C(C)CCC2C(CO)C2CNC1=O,0,GDB ChEMBL
277980,N#CC12[N-]C(=O)NC(C[NH3+])C1C2O,0,GDB ChEMBL
219521,O=C1CCC(=O)n2nnc(NCCO)c2N1,0,GDB ChEMBL
140351,CCCCCC1(C)C=CC2(C)CCC(C)C12,0,GDB ChEMBL
317584,CC(OC1CCC(CCO)C1)C(=O)NCC[NH3+],0,GDB ChEMBL
105132,CCCC1(C)C=CC=CCCCC(C)=C1,0,GDB ChEMBL
392477,N#CCC1C2(O)CNC(=O)C12CO,0,GDB ChEMBL
18797,N#CC(N)C1C([NH3+])C(CO)CC(=O)N1C(=N)N,0,GDB ChEMBL
249531,[NH3+]CC1CCOC2CN1C2,0,GDB ChEMBL
166438,CCN1CC(C[NH2+]C)C(C2COC2)C1C#N,0,GDB ChEMBL
375588,CCC1=[NH+]C(C#N)CCN1,0,GDB ChEMBL
354587,Cn1c(C2CC[NH2+]CC2)cc(F)nc1=N,0,GDB ChEMBL
332447,CCC1(C)C(=O)CC2CC1C2,1,GDB ChEMBL
314908,CCC(C)C12CCC1C[NH+](C)C2,0,GDB ChEMBL
334698,CCCC1C2C(=CC1(C)C)CCCC2C,0,GDB ChEMBL
358426,COC1CCCCC12CC2[NH3+],0,GDB ChEMBL
244602,CCC1C(C)(C)CC(CC)(CC)CC1(C)C,1,GDB ChEMBL
257971,Cc1ccc(C2(CC(C)C)CC2)c(F)c1O,1,GDB ChEMBL
365832,CCC(=O)C1C(=O)OCC2C(C(N)=[NH2+])C[NH2+]C12,0,GDB ChEMBL
271579,CC(CC1([NH3+])CC[NH2+]C1)C(C)Nc1cncs1,0,GDB ChEMBL
133314,CC(c1ccnc(Cl)c1Cl)C1CC1,1,GDB ChEMBL
297222,NC(=O)C1[NH2+]CC1C1CNC(=O)O1,0,GDB ChEMBL
156231,CCC1CS(=O)(=O)C1(CCOC)NCCO,0,GDB ChEMBL
342612,CCC(O)C1(C[NH2+]C)CC(OC)C[NH+]1C(C)C,0,GDB ChEMBL
97104,N#CC(C(=O)[O-])C1(O)C(O)C1OC(N)=O,0,GDB ChEMBL
73240,CNC(=O)CCCC1C(O)C1(N)C[NH3+],0,GDB ChEMBL
281800,CC([NH3+])Cn1cc2c(N)nc(N)nc2n1,0,GDB ChEMBL
66199,CCCCC1=CC=CCCC(OC)C1(C)C,0,GDB ChEMBL
314107,O=C([O-])C12COC1C(O)C[NH2+]2,1,GDB ChEMBL
235981,C[NH+]1CC(C)(C)CC2C=CC1C2,0,GDB ChEMBL
398808,Nc1ncc(Cl)c2c1NC1(CCO2)CC1,0,GDB ChEMBL
38717,COCC1OC(=O)CCOC(C(C)C)OC1C,1,GDB ChEMBL
255457,O=CC1OCCCC2C[NH2+]C1C2,0,GDB ChEMBL
23576,CC[NH2+]CC(N)C(CC(C)[NH2+]C)OCC(=O)[O-],0,GDB ChEMBL
378082,CCCC#CC#CCC#CC[NH2+]CC(C)C,0,GDB ChEMBL
340526,C[NH2+]C1CC1C1C=CC(C)[NH+](C)C1,0,GDB ChEMBL
110214,CCC1([NH3+])CCCC2[NH2+]CCC21,0,GDB ChEMBL
300533,CCC1(C)CCC(C)C12COC2,0,GDB ChEMBL
18799,COC(=O)C1C=CC(O)C(N)C(C#N)C1O,0,GDB ChEMBL
348870,N=C(N)c1n[nH]cc1NC1CC1,1,GDB ChEMBL
228326,C#CC1CC(CC(C)C(F)(F)F)CC(C)(O)C1,0,GDB ChEMBL
89328,CCCCC(OC)C([NH3+])C1(O)C(N)=[NH+]CC1C,0,GDB ChEMBL
34150,C[NH2+]CCC(C#N)(NC(N)=O)C(N)C(N)=[NH2+],0,GDB ChEMBL
312896,[NH3+]CCC1CC(C2=CCCCC2)C1,0,GDB ChEMBL
348842,CC(=O)COc1cc2cncc(Br)c2cc1O,1,GDB ChEMBL
119646,[NH3+]CC1C2(C(=O)[O-])NC(=O)C([NH3+])C12O,0,GDB ChEMBL
155122,CC#CCCC(=O)C1CC1OC,1,GDB ChEMBL
24050,CCC([NH3+])C(=O)NC1(C)CC([NH2+]C)C1NC,0,GDB ChEMBL
325864,COC(C)C(N)C([NH3+])C(C)O,0,GDB ChEMBL
375884,C[NH2+]Cc1[nH]c(C)c2c1CC(O)C(COC)C2,0,GDB ChEMBL
308735,CC#CCC1(CCC(C)[NH2+]CC)C[NH2+]C1,0,GDB ChEMBL
322836,CC([NH3+])C#CCNC(=[NH2+])CC1CCCC1,0,GDB ChEMBL
248604,CC12CCCC(O)C(C1)C(C1CC1)C2,0,GDB ChEMBL
3811,CNC(=O)C1(C(N)=[NH2+])C[NH2+]CC1O,0,GDB ChEMBL
170236,CC1CC(=O)C2CC(C)C(CO2)[NH2+]1,0,GDB ChEMBL
78641,CC1(N)Cc2c(ccnc2N)OC1=O,1,GDB ChEMBL
169418,CCCNc1cnc(OC)c(Cl)c1Cl,1,GDB ChEMBL
51005,Cc1ccc(C2(C#N)CCCCCN2)c(F)c1,1,GDB ChEMBL
70320,CC1CCC(C)(c2cc(F)ccc2F)C1,1,GDB ChEMBL
4890,Brc1ccc2c(c1)C(C1CC=CC1)CC2,1,GDB ChEMBL
274863,C#CCc1cc(Cl)ccc1C12CCC(CC1)C2,1,GDB ChEMBL
289258,CC(CCC(=O)[O-])N1CC1C(O)CO,0,GDB ChEMBL
89654,CC1(C(=O)[O-])C=CC(CO)(NC(N)=[NH2+])CO1,0,GDB ChEMBL
71709,CNc1cc(C(N)=O)c(C)n1C=O,1,GDB ChEMBL
45985,CC12C(C#N)C1S(=O)(=O)NC2C(O)CO,0,GDB ChEMBL
392299,CC(C)c1ccc(OCC[NH3+])c(Cl)n1,0,GDB ChEMBL
212094,CC(C)(C)C1CC2CCC2C1,1,GDB ChEMBL
266441,CCC1CC(C)C(C(C)C)C2(C)CCCCC12,0,GDB ChEMBL
61268,CC(COS(N)(=O)=O)CC(N)=[NH2+],0,GDB ChEMBL
338105,CC1(O)CCC2CCC(O)C2([C-](C#N)C#N)C1,0,GDB ChEMBL
120896,O=CN1CCOCC1C(=O)[O-],0,GDB ChEMBL
220140,CCc1c(O)cc(I)c(O)c1C1CC1,1,GDB ChEMBL
338594,CC(C)Cc1cccc(O)nc(CO)co1,0,GDB ChEMBL
116070,CC(C)=CC1CCCC(C)[NH2+]C1C,0,GDB ChEMBL
121760,C[NH2+]CC1CC([NH3+])C2C(CC(F)(F)F)C12,0,GDB ChEMBL
257494,CCn1nc(C)cc1Oc1cc(CO)ccn1,1,GDB ChEMBL
384269,CCC(C)C1NC(=[NH2+])OC(C#N)C1=NO,0,GDB ChEMBL
151706,CCN1CC2NC(C=O)CC1C2C#N,0,GDB ChEMBL
217029,C[NH2+]CC1(CC#N)C=CCC=C1C,0,GDB ChEMBL
228866,Cc1cc2c(s1)C(C)(O)C(=O)C=CCC2,1,GDB ChEMBL
391447,CCC12CCC(=O)CC1C(C)=CC2O,0,GDB ChEMBL
22798,CCCC(C)=CC(C)=CC(C)(C)C,1,GDB ChEMBL
308672,CC1[NH2+]CCC2CC3C1C3C2O,0,GDB ChEMBL
170125,COC12CCC(C)N(C(C)=O)CCC(C1)C2,0,GDB ChEMBL
249601,Nc1noc([O-])c1NCCCCO,0,GDB ChEMBL
116011,CCCNC(=O)CCS(=O)(=O)C(N)=O,1,GDB ChEMBL
177858,C#CC1C(C)OCCCC([NH3+])C2CC12,0,GDB ChEMBL
118734,Cc1c(O)cc(I)c(I)c1CCCCO,1,GDB ChEMBL
29736,C=C1CCC(=C)C1(C[NH3+])OCCC,0,GDB ChEMBL
113567,CC1CC2(CCC2)c2ccc(I)cc21,1,GDB ChEMBL
343206,CCC[NH+]=C1NCCC1NS(C)(=O)=O,0,GDB ChEMBL
79258,C#CCC(O)CC([NH3+])CC[NH2+]C,0,GDB ChEMBL
18809,CCCCc1ccc(C)c2c1C(C)=CC2C,1,GDB ChEMBL
283241,CC(CCCC#N)Cc1ncccc1I,1,GDB ChEMBL
34399,NC(=O)C12CNC(C(=O)OC1)C2CO,0,GDB ChEMBL
3766,CCc1cc(C)c2cc(Cl)cnc2c1C,1,GDB ChEMBL
271593,OCCCC1OCC=CCC1C1C[NH2+]1,0,GDB ChEMBL
190501,O=C1NC(C(O)C(=O)[O-])C(CCCO)O1,0,GDB ChEMBL
255453,CCC1(CC2CCCCC=CC2C=O)CC1,1,GDB ChEMBL
76373,CCn1ccc(C2(OC)CC(C#N)C2N)n1,0,GDB ChEMBL
225403,C[NH+]1CC(CCO)C(O)C([NH3+])C2CC21,0,GDB ChEMBL
101065,C#CC1CC([NH3+])CCO1,0,GDB ChEMBL
137439,CCCN=C(C=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
51040,C#CC1(CO)CNC(=O)N1C,0,GDB ChEMBL
19622,CC1CCC(C#N)C(C)C1[NH3+],0,GDB ChEMBL
249801,CN1CCOCC1Cc1sc(N)nc1O,0,GDB ChEMBL
203632,C1#CCCC2CCC(CCCCC1)C2,0,GDB ChEMBL
37294,CC12CC1c1ccc(F)cc1C21CC=CC1,0,GDB ChEMBL
89335,CC1(C(=O)[O-])CCC2C([NH2+]CC=O)C21,0,GDB ChEMBL
50290,CCNc1ncc(I)c(N)n1,1,GDB ChEMBL
95515,CC(=O)C1(C)CC(C#N)=CCC1C,1,GDB ChEMBL
222205,CCc1nc2c(cc1N)OCO2,1,GDB ChEMBL
316130,CCCCCC1CC2C(CC)C2(C)CC1C,0,GDB ChEMBL
391690,CC(C[NH3+])Oc1cn(C)c(C[NH3+])n1,0,GDB ChEMBL
81440,CN1C(=O)C2NCC3C1C2NS3(=O)=O,0,GDB ChEMBL
221895,[NH2+]=C1C=C(CO)C(C[NH3+])CCN1,0,GDB ChEMBL
375584,CC12C(=O)NC3C(CO)CS(=O)(=O)N1C32,0,GDB ChEMBL
120865,NCC(=[NH2+])Nc1cc(F)cc(N)c1CNC=O,0,GDB ChEMBL
298050,[NH3+]CC12CC(O)(C1)c1cc(F)ccc12,0,GDB ChEMBL
152509,CNc1csc(CCCCC2=NCC(=O)N2)c1,1,GDB ChEMBL
247217,NCC([NH2+]CC(=O)[O-])C(O)CO,0,GDB ChEMBL
301153,CC1C(O)CC(O)CC(CN)[NH+]1C,0,GDB ChEMBL
362372,CC[NH2+]C1C(O)CC2OC2C1N,0,GDB ChEMBL
62586,[NH3+]C1CCC[NH2+]C2C(O)C12,0,GDB ChEMBL
146012,O=COC1CC1Nc1ccncn1,1,GDB ChEMBL
221674,COC1C2C[NH2+]CC1C2CC(N)=O,0,GDB ChEMBL
83139,NC(=O)N1C(=O)NC(=O)[N-]C2(CCC2)C1=O,0,GDB ChEMBL
191378,C=CC(C)CC(O)C1CC1CCC,1,GDB ChEMBL
130871,CC#Cc1cccn(C)c(C(C)=O)ncn1,0,GDB ChEMBL
84870,CCNC(=O)Cc1nc2c(s1)C(=O)C=C2,1,GDB ChEMBL
149329,CC(C)C(=NO)C1CC(=O)OC1C,1,GDB ChEMBL
18922,COCC12CCN1C(=O)C1=C(CCCC1)C2,0,GDB ChEMBL
398922,CCC(C)(C)Nc1n[nH]c(C(N)=[NH2+])c1C(=O)[O-],0,GDB ChEMBL
370300,Nc1c(F)nc(O)c2c1NC(=O)NC2,0,GDB ChEMBL
164665,CNC(=O)OC1C(O)CCNC(=O)C1(O)C[NH3+],0,GDB ChEMBL
168400,Fc1ccc(CCC2CC2)c(F)c1F,1,GDB ChEMBL
234886,CCCC(CC)C1(O)C(N)C1[NH3+],0,GDB ChEMBL
141815,CCCC1CC(CO)C1,1,GDB ChEMBL
180817,C[NH2+]CCCC1CC=CC2CC21,0,GDB ChEMBL
43918,COCCC1C(C)(C)C(O)C1(O)CO,0,GDB ChEMBL
161937,C#CCC1[NH2+]CC(C)C1C(=O)NC,0,GDB ChEMBL
119254,CC(CC=O)C(NC(N)=[NH2+])C1NC(=O)CC1O,0,GDB ChEMBL
181632,N=C(N)N1C(=O)C(N)C2OCC([NH3+])C21,0,GDB ChEMBL
305965,CC1OCC2(C)C(CC1C#N)NC(=O)CN2C,0,GDB ChEMBL
375837,CC(C)Cn1cncc1[NH+]=CN(C)C,0,GDB ChEMBL
33294,C[NH2+]CC(=N)OC(C[NH3+])CC[NH3+],0,GDB ChEMBL
246984,CC[NH2+]C1(C(C)C)CC(CCOC(C)C)C1,0,GDB ChEMBL
375509,N#CC1(CO)CN(C(N)=O)C(=O)[N-]1,0,GDB ChEMBL
64606,CC1CC2(C)C([NH2+]1)C2C(N)=O,0,GDB ChEMBL
125587,N#CCc1ccc(Cl)c(C2([NH3+])CCC2)c1,0,GDB ChEMBL
191375,C[NH2+]CC(N)C(N)CS(=O)(=O)[O-],0,GDB ChEMBL
312195,CCC(C)CC12CCC(CC(O)C1)C2,0,GDB ChEMBL
109720,CC1OC(=O)C(N)C(C)N2CC12,1,GDB ChEMBL
230512,CCn1nnc(NC)cc1=O,0,GDB ChEMBL
277996,CNC(=O)N1C2CC3OC3C21CO,0,GDB ChEMBL
75451,CCC(CCC1CC(C)C(C)C1C)C(F)(F)F,1,GDB ChEMBL
74290,Cc1nc(F)nc2c1CNC(=O)C=C2,1,GDB ChEMBL
75065,C[NH2+]CC(C)(CS(=O)(=O)[O-])C(N)=[NH2+],0,GDB ChEMBL
23652,N=C1OC(=O)C(NCCO)C1C(O)C([NH3+])CO,0,GDB ChEMBL
87688,NC(=O)NC1C(=O)COC(=O)C1=NO,0,GDB ChEMBL
85647,COC1(CC(=O)[O-])CC1,1,GDB ChEMBL
85824,CCCCC(CCC1CCCCCC1)C(C)C,1,GDB ChEMBL
174262,C#CC(C)C1=Cc2c(F)cccc2CC1,0,GDB ChEMBL
90276,CC1CC2C(C(O)C1O)N2C,0,GDB ChEMBL
294219,C#CCCC1C(CC)CC2CC[NH2+]CC1(C)C2,0,GDB ChEMBL
21524,CCCC1(OC)C[NH2+]C2CC21C#N,0,GDB ChEMBL
322905,CC1CCC2CC=CCC(C)OC2C(C)C1,0,GDB ChEMBL
273665,CCCC(=O)C(O)(CO)COCC(N)=[NH2+],0,GDB ChEMBL
149442,COC(C)CC1CC[NH+]1C,0,GDB ChEMBL
385947,C#CC(O)CC1(C)C(CC)C1CCCC,0,GDB ChEMBL
26845,CCC1C=CCCC(C)C2CCCC12,0,GDB ChEMBL
87085,Cc1cnc(Cl)c2c1CC(C#N)NCC2,0,GDB ChEMBL
340089,N=C1OC(=O)NC1CO,1,GDB ChEMBL
303865,C#Cc1cnc(N)cc1-c1ncco1,1,GDB ChEMBL
247576,CC1OC1C[NH+]1C(C)COCC1C,0,GDB ChEMBL
351123,CC=CC(C)C1C=CCCCCC1,1,GDB ChEMBL
292930,COC(C[NH3+])CC(C)[NH+]=CN,0,GDB ChEMBL
275639,COC(C)CC#CC([NH3+])CO,0,GDB ChEMBL
355010,O=C1OC2(CO)C3NC(=O)C2C13,0,GDB ChEMBL
85868,CCc1cn2c(c1C(=O)C(=O)NC)OCC2,1,GDB ChEMBL
681,CC#Cc1ccccc1CCC,1,GDB ChEMBL
378129,C#CC1CCC(CC[NH+](C)C)C2CC12,0,GDB ChEMBL
107845,CC1C=CC(C)C2CC3CC3CCCCC12,0,GDB ChEMBL
140147,CC#CC1C[NH+](C)CCC=C1CO,0,GDB ChEMBL
345449,CN1C(=O)NC2C(N)C21C#N,0,GDB ChEMBL
370257,O=C1CN(c2ccnn(CCO)c2=O)C(=O)N1,1,GDB ChEMBL
280297,COc1c(CN(C)C)sc2c1C(=O)CC2,1,GDB ChEMBL
249852,CCOC(=N)CC(C(N)=[NH2+])C(O)C[NH3+],0,GDB ChEMBL
344307,CC1=C(C[NH2+]CCN)CCC1,0,GDB ChEMBL
104917,CCCOC1C(C(C)[NH3+])C1C1CC1,0,GDB ChEMBL
70927,CCC1(O)C2C=CC1C1C[NH2+]CC12,0,GDB ChEMBL
157041,N=C(NC=O)C1CCCC[NH2+]1,0,GDB ChEMBL
294793,NC(=O)N(C=O)CC(O)C(C[NH3+])CO,0,GDB ChEMBL
1929,CC[NH+]1CCC2CCC(C1)C1CCC21,0,GDB ChEMBL
169468,Clc1cnc2c(c1)C[NH2+]C2,0,GDB ChEMBL
346532,C#CC1CCCC1(CC)c1c(C)cccc1I,1,GDB ChEMBL
247548,CCn1cccc(CO)cc(O)cc1,0,GDB ChEMBL
216486,C#CC1C(C)C=CC1[NH2+]CC,0,GDB ChEMBL
368447,COC(=O)C(CO)(NC=N)C(N)=O,0,GDB ChEMBL
255115,CCn1c(CO)c(N)n2cc(C)[nH+]c12,0,GDB ChEMBL
40036,CC(C(=O)[O-])C1([NH3+])C(N)C1CC[NH3+],0,GDB ChEMBL
366604,NC1=[NH+]CC(N)C2NC(=O)C(N1)C2O,0,GDB ChEMBL
101519,CC(=O)CNC(N)=NCC#N,1,GDB ChEMBL
94707,C#CC(CC)(C[NH2+]CCC)NCC=O,0,GDB ChEMBL
164706,CC1=CCC([NH+](C)C)C2(C=O)CC(O)C1C2,0,GDB ChEMBL
358600,[NH3+]C1(C(=O)[O-])C2CCC([NH2+]C2)C1n1cncn1,0,GDB ChEMBL
254946,[NH3+]C1C2CN(C=O)C3c4ccncc4CC123,0,GDB ChEMBL
375873,COCC(C)(C)C1C(C[NH3+])COC1C(C)C,0,GDB ChEMBL
2961,CC1(C2CC[NH2+]C2)C=CC(=O)NCC2CC21,0,GDB ChEMBL
112594,C[NH+]=C(N)C(N)(CCCCO)CNC(N)=O,0,GDB ChEMBL
207660,C#Cc1cc(CC)c(N)c(C2C[NH2+]C2)c1F,0,GDB ChEMBL
75813,Cc1cnc(Cl)cc1CC(C=O)NC=O,1,GDB ChEMBL
177191,CC1(C2CCC3CCCC32C)CCCCC1,0,GDB ChEMBL
100688,C#CC12NCC(C(=O)[O-])CC1OC(=O)CC2[NH3+],0,GDB ChEMBL
170149,CC1OC(=O)C2CC2[NH2+]CC1O,0,GDB ChEMBL
99124,C[NH+]1CC=C(C2CC3CC3C2)C1,0,GDB ChEMBL
358218,NC(=O)COCc1ccsc1,1,GDB ChEMBL
118170,COC(C)Cc1ccncc1N,1,GDB ChEMBL
191570,COC1C(=O)NC(N)=NC1(C(C)C)C(C)O,0,GDB ChEMBL
355328,CC1CC2(C)C[NH2+]C(CCO)CC2C1C,0,GDB ChEMBL
197477,CC[NH+]1CC(C)NC(=[NH2+])COC(OC)C1(C)C,0,GDB ChEMBL
201662,CCOC1CN(CC[NH3+])C2CNC(=O)C12[NH2+]C,0,GDB ChEMBL
10629,CN(C=[NH2+])CC1(C)CCOCCCCOCC1,0,GDB ChEMBL
122720,CNC(NC)=[NH+]CC(=O)[O-],1,GDB ChEMBL
93080,C[NH2+]C1C(C)C2[NH+](C)CC(C(N)=O)C12O,0,GDB ChEMBL
195384,Cc1cc2c3c(c1)CC(C)C3=CCC2,1,GDB ChEMBL
300708,CCCC1CC2(C)CCC(C)(CC)C1C2CC,0,GDB ChEMBL
319775,NC(=O)C1CC(NC=[NH2+])C[NH2+]1,0,GDB ChEMBL
59570,CCC(C)N1C(=O)CC(C)C1C,1,GDB ChEMBL
389428,O=C1CCCCC1(O)CCO,1,GDB ChEMBL
92302,C#CCc1cccc(CC(C#C)C(C)=O)c1O,0,GDB ChEMBL
205900,COC1(C#N)C(N)C1NC(C)C(N)=O,0,GDB ChEMBL
180836,COC1CCCC1(C)C12CCCC1CC(C)[NH2+]2,0,GDB ChEMBL
312535,CC(C)C1CCC2C(C)C(C)C(CCO)C12C,0,GDB ChEMBL
183463,CCC(O)C1C=CC(C(C)C[NH3+])=C1,0,GDB ChEMBL
50995,NC1=NC(C(=O)[O-])CC12CCC(CO)O2,0,GDB ChEMBL
124251,C[NH2+]C1C(=O)[N-]C(C#N)C(N)C(C(N)=O)C1O,0,GDB ChEMBL
242987,Cc1cc(C2CC2)c(O)cn1,1,GDB ChEMBL
41286,COCC(O)C(=O)C1CC1C#N,1,GDB ChEMBL
36192,CCCOC(C)C#CCC[NH3+],0,GDB ChEMBL
263256,NC(=O)C1OC2CC([NH3+])C(O)C1C2O,0,GDB ChEMBL
66188,CCCC[NH2+]c1cn(CC(N)=O)c(=O)[nH]1,0,GDB ChEMBL
230259,CCC(CCOc1cnc(C)s1)NC(C)=O,1,GDB ChEMBL
249637,CCCCCC12C[NH+](C1)C(C)CC2(C)[NH3+],0,GDB ChEMBL
374909,CN(C)C(=O)C(O)C1CN1,0,GDB ChEMBL
17461,[NH3+]CCC1(C2CO2)CCNC1=O,0,GDB ChEMBL
204363,CC#Cc1c(N)cc(CC)c(CC)c1Br,1,GDB ChEMBL
177846,CCCCc1ccc(CC)c(C)c1F,1,GDB ChEMBL
284016,C#CC(CC1(CCO)CC1)C(C[NH3+])C(=O)[O-],0,GDB ChEMBL
290315,CC([NH3+])C1C2CCC(NC(N)=O)C(O)C1[NH2+]C2,0,GDB ChEMBL
253580,COC12OC(=O)C(CC1(C)C)C(C)C2CC[NH3+],0,GDB ChEMBL
380237,CC(C)(O)C1CNC(COC(N)=[NH2+])CC(=O)N1,0,GDB ChEMBL
391691,C[NH+](C)Cc1cc[nH]c1NC(=O)C[NH3+],0,GDB ChEMBL
286268,C#Cc1cc(Br)c(CCCC)c(CC(C)C)c1,1,GDB ChEMBL
305231,O=C1OCCN2C3COC(CO)C1C32,0,GDB ChEMBL
180837,NC1=[NH+]C(CNC2=NCCO2)CC1,0,GDB ChEMBL
331165,CCN=C1CC(C(=O)[O-])CNS(=O)(=O)O1,0,GDB ChEMBL
288585,COCc1ccn(C2CC2)c1N,1,GDB ChEMBL
379742,CC(C)(C)C(=NO)C1CC=CC1,0,GDB ChEMBL
306317,O=C1NCCC(=NCCO)O1,1,GDB ChEMBL
151259,CCc1nc(NC(C#N)C(=O)C(C)OC)no1,1,GDB ChEMBL
289812,CC(C)C1CC=C2CC=CCC2=CC1,0,GDB ChEMBL
358083,CCCCN1C2C(C)CC3COCC321,0,GDB ChEMBL
182073,CC(=O)CNC(=O)NC(C(N)=O)C(O)C=O,1,GDB ChEMBL
155054,CC(C)N(CCO)c1csc(O)n1,1,GDB ChEMBL
266478,CC#CCc1cc(Cl)c2ccoc2c1,1,GDB ChEMBL
330919,N=c1[nH]ccc2c(N)noc12,1,GDB ChEMBL
120664,C[NH2+]CC1C=CC(O)C([NH3+])C1,0,GDB ChEMBL
209454,C[NH2+]Cc1cc(O)ccc(N(C)CCO)c1=O,0,GDB ChEMBL
132499,CCC#CCC[NH2+]C(C)(C)C[NH3+],0,GDB ChEMBL
147530,CNC(=O)C(CC(C)C)c1ccc(C)s1,1,GDB ChEMBL
70865,C#CCC(C#C)CC(CCCC)CCC(C)C,0,GDB ChEMBL
97108,CC1C2CCCC(O)C1C([NH3+])C(C[NH3+])(CO)C2,0,GDB ChEMBL
330393,CC(=O)CNC=[NH+]Cc1c(Br)cc(C)[nH]c1=O,0,GDB ChEMBL
250560,CN1CC#CC[NH+](C)CC2CC21,0,GDB ChEMBL
334611,CCC1(C#CCO)C=CCO1,1,GDB ChEMBL
362841,CC1CCN2C(CC#N)COCC(O)C12C#N,0,GDB ChEMBL
330915,C[NH2+]CC1(C)CC(C)c2c(F)ccc(C)c21,0,GDB ChEMBL
41041,CCC1OC(=O)NC(=O)C2OC12,1,GDB ChEMBL
305374,COC1(C)CCCN(CCCO)CC(=O)O1,0,GDB ChEMBL
291864,N#CC1CN(C(=O)C2CO2)C1,1,GDB ChEMBL
173709,C=C1CC(C)C2CC(C)CCCC12,0,GDB ChEMBL
314907,CC1=C(c2ccccc2)C2(C)C=CCC1C2,0,GDB ChEMBL
107811,CC1CCCC2(COC2)C2CCOC12,0,GDB ChEMBL
122661,CCC(OC)C(C)C1(C)CC(O)C2CCC1C2,0,GDB ChEMBL
63124,Cc1cc2cccc(N)c2cc1I,1,GDB ChEMBL
204664,CCOCC1(O)C2CC1C2,1,GDB ChEMBL
325908,CC(C(O)C[NH3+])C(CC[NH3+])OC=O,0,GDB ChEMBL
375459,COCC(OC)C(C=O)CC(=O)C(C)O,0,GDB ChEMBL
119981,CC(C)([NH3+])CNC(=O)N(C=N)C=N,0,GDB ChEMBL
337094,COCCC1CCCC12[NH2+]CC1OC12C[NH3+],0,GDB ChEMBL
66681,C#CC1CCCC2C(C)CCC1C2(C)CCC,0,GDB ChEMBL
387193,CCCOC(C1CCC(C)C(C)O1)C(C)(C)C,0,GDB ChEMBL
163841,C#CC1C2C[NH2+]CCC(CC)C1C(CCC)C2,0,GDB ChEMBL
366526,CC1([NH3+])CC(O)C(O)C(C(O)CO)CNC1=O,0,GDB ChEMBL
204662,CCC(C)CC(C)C1OC1CC(=[NH2+])NC,0,GDB ChEMBL
37608,CC1COC2(C)C1[N-]C(=O)C2(N)C#N,0,GDB ChEMBL
254985,CC([NH3+])C(O)C(C)OC(=O)C(N)C(C)O,0,GDB ChEMBL
75816,C#CC1C([NH3+])C1(CC#N)CCCC,0,GDB ChEMBL
392535,NC(=O)C1NC(=O)C2(C[NH3+])OC1CC2O,0,GDB ChEMBL
252749,CCC(C[NH2+]C)(C[NH2+]C)C1(C)C=CC(=O)O1,0,GDB ChEMBL
387273,CCC(C)C(C(C)C)C1OCC1[NH3+],0,GDB ChEMBL
298180,CC1C2C(=O)OCC(C)C(O)(CCN2C)C1O,0,GDB ChEMBL
221717,CCC([NH2+]C1(CC)CC=CC1)C(C)(C)C,0,GDB ChEMBL
132844,CNC(=O)C1=CC[NH+](C)C2CC(C2)C1=NO,0,GDB ChEMBL
109550,N=C1OCC(CC(=O)[O-])n2ccnc21,0,GDB ChEMBL
354344,CC#CCC(=O)C(CC[NH2+]C)[NH+]=C(C)N,0,GDB ChEMBL
179497,CC(O)C(C)C(C)CCC[NH3+],0,GDB ChEMBL
263992,CCC(C)CCCC1(C)CC(C)C2CC21,1,GDB ChEMBL
278247,CCC12CCN(C)C1=CC(=O)C2O,0,GDB ChEMBL
210972,Cc1c(O)cccc1C1CC1,1,GDB ChEMBL
87131,CCC(C)CC[NH+](C)C1C=CC2C=CCC21,0,GDB ChEMBL
23992,CC#CCOCCOCCC,1,GDB ChEMBL
376024,CCCCCCC1C2C=CCC21C,1,GDB ChEMBL
141759,CC1OC12CCC2[NH2+]CCO,0,GDB ChEMBL
156032,COC1C2C3[NH2+]C(c4c(Cl)cc(C)cc43)C12,0,GDB ChEMBL
349643,COC(=O)NC1C(=O)OC1C=O,1,GDB ChEMBL
380568,CCC1CCNCC2[NH2+]C1C2CO,0,GDB ChEMBL
340446,CCCC1(C(C)C)CC(C)(C)CC(CC)C1=O,1,GDB ChEMBL
40024,CCC[NH2+]C1C=C(C)CC(C)(C(C)C)C1=O,0,GDB ChEMBL
354832,COCC(C=O)C=C1CC[NH2+]C1C,0,GDB ChEMBL
11013,[NH3+]C1C2CNC(=O)C(O)C1C2,0,GDB ChEMBL
48519,Clc1cc(C2COC2)cnc1Cl,1,GDB ChEMBL
114355,C[NH2+]CC1CC2(C(N)=O)[NH2+]C(C)C1C2(C)C#N,0,GDB ChEMBL
280751,CC1OC2CC(NC(N)=O)(CO2)CC([NH3+])C1O,0,GDB ChEMBL
289947,[O-]c1cc(CCc2ccccc2Br)sn1,0,GDB ChEMBL
237994,CNS(=O)(=O)OC(CO)C(C)C(N)=O,0,GDB ChEMBL
309842,CC(=O)C(C(C)O)C(O)C(=O)[O-],0,GDB ChEMBL
261418,CNC1=NC(C#N)C(O)C(CO)N1,0,GDB ChEMBL
379880,CC1=CC[NH2+]C(C=O)CC=C(C)C1,0,GDB ChEMBL
191665,C#CC1N2C(=O)C([NH3+])CC12CC,0,GDB ChEMBL
94631,C[NH2+]CC1COC(C#N)C(OCCC[NH3+])C1C,0,GDB ChEMBL
239085,O=C1C(O)CC2C[NH2+]CCC12,0,GDB ChEMBL
162476,Cc1cnc(C(=O)OCC[NH3+])coc(C)cn1,0,GDB ChEMBL
266222,C#CCC[NH+](C(C)C)C1CC(S(C)(=O)=O)C1,0,GDB ChEMBL
64292,C#CCC(C)(O)CC1(CC)CC1,1,GDB ChEMBL
71649,CC1=CCC2COCC(C2)C1O,0,GDB ChEMBL
285609,C#CCC1(C)CC(C)CC(C)C(CC)CC[NH2+]1,0,GDB ChEMBL
148741,C#CC1C[NH+](CC(C)=O)CC1CC[NH+](C)CC,0,GDB ChEMBL
325902,CC(C)C(C)(C#N)C(C)O,1,GDB ChEMBL
375466,CCCCCC1C2(C)CCC1(C)C1CCC2C1,0,GDB ChEMBL
34249,CC(C)CC[NH+]1CC=CC1CC1(C)CC1,0,GDB ChEMBL
235178,N#CC(N)C(O)C1CCNS(=O)(=O)OC1,0,GDB ChEMBL
244293,[NH3+]Cc1ccc2c(c1F)C1C[NH2+]CC(CC2)C1,0,GDB ChEMBL
113465,CCCC1(C([NH3+])CC(C)C)CO1,1,GDB ChEMBL
214447,NC(=O)NCC(CCCO)C(N)=O,1,GDB ChEMBL
174265,CC(OC(N)=O)C1NC(C(=O)[O-])C1O,0,GDB ChEMBL
38738,C[NH+](C)CCC1CC(=O)C1,0,GDB ChEMBL
29643,CC(=O)NCC1(C(=O)[O-])CC2CC(C2)C1[NH3+],0,GDB ChEMBL
274200,CCCCC1C=CCCC(CC)CC1,1,GDB ChEMBL
5022,CS(=O)(=O)CC1CCCCN=C(CO)O1,0,GDB ChEMBL
387044,C=C(C)Cc1cccc(CCC)c1,1,GDB ChEMBL
111915,CCc1ncc(NC=[NH2+])c(=O)n1CC(N)C#N,0,GDB ChEMBL
9962,CC[NH+]1CC2CCOCCC3CC1C32CC,0,GDB ChEMBL
43961,NC1=[NH+]CCCC1CCO,0,GDB ChEMBL
72031,C#Cc1ccc2c(c1Cl)CCC1(C)CCC2C1,0,GDB ChEMBL
254971,COC1C=CC23CCCCC2[NH2+]CC13,0,GDB ChEMBL
362807,CCC1CC=C(C)CCC2C(C)C(C)CC12,0,GDB ChEMBL
152042,CS(=O)(=O)NC1C2COC1C(NC=O)C2O,0,GDB ChEMBL
235488,CCC1N(C(=O)OC)C1(C)S(N)(=O)=O,0,GDB ChEMBL
21891,CC1CC2OC2CC1[NH2+]C1CCOC1,0,GDB ChEMBL
79288,CCC1CCC2CC3C(=O)OC4C=C1C2C43,0,GDB ChEMBL
22058,CCC(C(C)=O)C1(C#N)C(C)C1(O)CO,0,GDB ChEMBL
363553,CC1CC2CC2C1C1CCCC[NH2+]1,0,GDB ChEMBL
18923,Cc1cc(O)c2c(Cl)c(C)cc(NC=O)c2n1,1,GDB ChEMBL
355819,CCC1CCC(C)CCN=CO1,1,GDB ChEMBL
75067,CC(O)CNC1CNC(=O)C1=NO,1,GDB ChEMBL
276098,COC1(C)C(C)[NH2+]C(CO)C1CC[NH3+],0,GDB ChEMBL
271823,C#CCC(CC)CCC1CCCC1,1,GDB ChEMBL
107704,CC1C=CC=Cc2cc(n(C)c2)C[NH+]1C,0,GDB ChEMBL
44323,N#CC1C2CN1CC2CC(O)CC(N)=O,0,GDB ChEMBL
368171,O=C1NC2CC3C(CCC34CC24)O1,0,GDB ChEMBL
310135,CCOC1COC(C(=O)[O-])C1([NH3+])C(N)=O,0,GDB ChEMBL
112807,CC1C2[NH2+]CC(C2=O)C1C(N)=O,0,GDB ChEMBL
283266,NC1=[NH+]CC(NC=O)C1CS(N)(=O)=O,0,GDB ChEMBL
35315,CC(C)(O)COc1ccnn1C(=O)C(N)=O,0,GDB ChEMBL
76384,CCCOC(c1cc(F)cc(C[NH3+])n1)C(C)O,0,GDB ChEMBL
37593,CCC12CCC(OC)C(C[NH3+])C(C1)C2,0,GDB ChEMBL
64332,CNC(C#N)C(C(N)=O)C1OC1C[NH3+],0,GDB ChEMBL
382501,CCCOC1CC2(CCC=C1C)CC2,1,GDB ChEMBL
11750,CC1CC2CC(C#N)CC([NH2+]2)C1O,0,GDB ChEMBL
363000,N#CC1CCC(CC(CO)C2CCC2)[NH2+]C1,0,GDB ChEMBL
27788,CCn1nnc(CCC(=O)[O-])n1,1,GDB ChEMBL
124498,C#CC1C=C(C)C2CCC([NH2+]C)CC12,0,GDB ChEMBL
156484,O=C1CNC(C#CCO)(CO)CS(=O)(=O)[N-]1,0,GDB ChEMBL
49102,C#CCC(C)CC(CCCC)CC1CC[NH2+]C1,0,GDB ChEMBL
170143,CCCCC1CC2CCC[NH+]12,0,GDB ChEMBL
157691,C#CC[NH2+]CC(C)(O)C[NH3+],0,GDB ChEMBL
94638,CC1C=CC2CC1CC1[NH2+]CCCCCC21,0,GDB ChEMBL
277900,CCCC1C=CC2CC1(C)CCC2C,0,GDB ChEMBL
29462,CC[NH+]=C(NC)C(CC(C)[NH+](C)C)NC,0,GDB ChEMBL
28219,[NH3+]CCc1c(Cl)cccc1C(C[NH3+])C[NH3+],0,GDB ChEMBL
187209,CS(=O)(=O)NC1CC(=O)CN2C(CO)C12,0,GDB ChEMBL
156750,C#CC(C)CCCCC1CNC(=O)C(C)(C)C1,0,GDB ChEMBL
64085,CNc1c(C)ccc(Br)c1Br,1,GDB ChEMBL
34190,C#CC1Cc2ccc(C)c(CC)c2C(C)(C)C1,0,GDB ChEMBL
218291,C[NH2+]C1CNC(=O)C(O)C(O)C1N,0,GDB ChEMBL
280649,CC1CCN=C(S(N)(=O)=O)NC1=O,0,GDB ChEMBL
97711,C#Cc1cc(C)cc(CC)c1CCC(C)C#C,1,GDB ChEMBL
177906,C#CCOC(C#N)CC(C)c1nn(C)cc1C,0,GDB ChEMBL
9806,CC1C2CC(NC2=O)C(O)C1[NH3+],0,GDB ChEMBL
85661,CC(C)CC(C)(C)C1CCC2(CC=CC2)C1,0,GDB ChEMBL
115868,CC([NH3+])C1CC(COCC(=O)[O-])C1,0,GDB ChEMBL
269354,CC(CNC(=[NH2+])C(C)C#N)[NH+]=C(N)N,0,GDB ChEMBL
322829,Cc1ccc(C)c2nc(C)c3nccc3c2n1,0,GDB ChEMBL
104700,CS(=O)(=O)[N-]c1c(C(=O)[O-])noc1N,0,GDB ChEMBL
332377,Nc1c(CC[NH3+])c(O)cn2nc(O)cc12,0,GDB ChEMBL
178008,C[NH2+]C(CO)C(C)CNC=O,0,GDB ChEMBL
146078,N#CC=C(CNC(N)=O)COC=O,1,GDB ChEMBL
179154,CN(CCCC[NH3+])C(=O)C[NH3+],0,GDB ChEMBL
115222,CC(C)(CCO)C1=CC(=O)NC2CC1C2,0,GDB ChEMBL
204787,CC(=NO)C1(CNC=O)CC(C)C[NH+](C)C1,0,GDB ChEMBL
175523,CC1C[NH2+]CCc2nc(Cl)nc(O)c21,0,GDB ChEMBL
124777,CC1C2C(CC([NH3+])C2O)C[NH+]1C,0,GDB ChEMBL
307575,CC(=O)N1C=NC(CCO)C(C#N)(CO)CC1,0,GDB ChEMBL
77515,C#CCC1CC2C(CC[NH+](C)C)CC(C)C2[NH2+]1,0,GDB ChEMBL
196763,CCC1C2C3CC(C)C(C12)C3[NH+]1CCCC1,0,GDB ChEMBL
260560,CC(=O)NC(=O)NC(=O)CC[NH3+],1,GDB ChEMBL
312254,C=CCC[NH+]1CCCC12CC(C)C2,0,GDB ChEMBL
180003,COCC(=[NH2+])NCC1CC=CC=CC1,0,GDB ChEMBL
322869,CC1CC1COC1C(C)NC(=O)C1C,0,GDB ChEMBL
228768,CN1CCC2C(O)C([NH3+])C1(C)C2(O)CO,0,GDB ChEMBL
50902,CC1OC(=[NH2+])NC(C(O)C(O)CO)C1NC=O,0,GDB ChEMBL
214001,CCCCC1C(C)CC=CC1CCC,0,GDB ChEMBL
222561,CCC1CCC(CC[NH3+])C[NH2+]C(C)(C)C1,0,GDB ChEMBL
378931,CCc1nc2c(c3c1CCC3)NC(=O)NC2,0,GDB ChEMBL
75799,C#CCC1CN1C(C)CC(C)C,1,GDB ChEMBL
260173,C#CC(=C)C1(C)CCC(CC)CC1,1,GDB ChEMBL
218794,CCC1C2CC(CC1(C)O)C1C(C)[NH2+]CCC21,0,GDB ChEMBL
182936,N=C(N)N(C(=N)N)C(=O)C1(O)COC1,1,GDB ChEMBL
389656,O=CC1NC2C[NH2+]CC1COC2CO,0,GDB ChEMBL
345729,NC(N)=[NH+]C1C(O)C[NH2+]C1(CO)CO,0,GDB ChEMBL
203639,CCCC12CCC(C)[NH+]3CC1C2C3,0,GDB ChEMBL
275655,CCC1CCC(CC)C1([NH3+])CO,0,GDB ChEMBL
354748,COC(=O)C1C(C#N)NC1C[NH3+],0,GDB ChEMBL
240387,C[NH2+]CC1OCC=CC1C#N,0,GDB ChEMBL
358896,CC1([NH3+])CC(C(O)CO)OC(S(N)(=O)=O)C1,0,GDB ChEMBL
349933,Cc1cc2c(cc1C(C)C1CC1)CCC2C,1,GDB ChEMBL
126583,[NH3+]C1C2C[NH+](CC(=O)[O-])CCC(N=CO2)C1O,0,GDB ChEMBL
64320,C#CC(C)(C#C)Oc1ccccc1,1,GDB ChEMBL
207723,C=C(C(C)C)C1(C#N)CC(CO)C1,0,GDB ChEMBL
370391,CC1=CC(O)CC(C(C)C)=C(C(N)=O)CC1,0,GDB ChEMBL
323292,C[NH2+]Cc1cnc(C(C)C[NH3+])c(NC(N)=O)n1,0,GDB ChEMBL
9845,Clc1cnc(Cl)c(Cc2cc[nH]c2)c1,1,GDB ChEMBL
269171,C#CC1[NH2+]C(C)C(C=C)C1CCC,0,GDB ChEMBL
347881,[NH3+]CC1C2([NH3+])CNC(=O)NC(C(=O)[O-])C12O,0,GDB ChEMBL
228814,[NH3+]CC(O)C1(CCC([NH3+])CO)OC(=O)[N-]C1=O,0,GDB ChEMBL
76070,CC#CC(=CCCC)C(CC)CC,1,GDB ChEMBL
183445,CC(=O)c1c(N2CCNC(=O)C2)nsc1N,1,GDB ChEMBL
126926,CCN1CC(S(C)(=O)=O)C2(O)CC2C1C,0,GDB ChEMBL
165948,CC1CC(O)C2COCCC2C1C=O,0,GDB ChEMBL
362992,COC(=O)NC(C)C1([NH3+])CC(C)CC1C,0,GDB ChEMBL
53711,CCCCC1(C)C=C(C)C=CC(C(C)[NH3+])C1,0,GDB ChEMBL
218566,CN(C(=N)C(N)=[NH2+])C(=O)CNc1ncccn1,0,GDB ChEMBL
386540,CCc1c(OC=NC)ccc(Cl)c1CC(C)C,1,GDB ChEMBL
368517,N=C(N)NC(=O)C(N)CCNC=[NH2+],0,GDB ChEMBL
372099,CCc1cc(O)cn1CC,1,GDB ChEMBL
151710,CCC(C)OC1C2CCCC1[NH2+]CC2,0,GDB ChEMBL
206977,CCC1(CO)CCC(C)C2CC21,0,GDB ChEMBL
210389,CC[NH+]1CC(O)C(O)(c2cncs2)C12CC2,0,GDB ChEMBL
153704,C=C(CC)CC(C)CC#CCCC,1,GDB ChEMBL
216192,C#CC(C#C)[NH+](CCC)C(C)(C#C)CC(C)C,0,GDB ChEMBL
6081,CCNc1c([N+](=O)[O-])cc(O)n1C,1,GDB ChEMBL
132485,CC1OC2CC2C1[NH2+]CC1CNC(=O)N1C,0,GDB ChEMBL
132693,CC[NH+](C)CC1(O)CC1NC1CC[NH+](C)C1,0,GDB ChEMBL
17531,Nc1nc2c(s1)C(=O)CC(O)C2,1,GDB ChEMBL
134461,CC1=CC(C)C(=O)OCC(N)=[NH+]CC1,0,GDB ChEMBL
267877,NC(=O)C1CC(CS(=O)(=O)[O-])C1C(=O)[O-],0,GDB ChEMBL
274979,CC(=NO)C(=N)N1CC(C(=O)[O-])NC1=O,0,GDB ChEMBL
234248,CCCN1C(=N)C(O)C(C)(OCC)C1=O,0,GDB ChEMBL
203140,CC1(C)CC2CCCN2C=[NH+]1,0,GDB ChEMBL
4941,C#Cc1nc(OC(=O)CC)nc(C(N)=O)c1N,1,GDB ChEMBL
9939,CC(=O)OC1C(C)OC2C([NH3+])C12,0,GDB ChEMBL
238201,CCC1C2CC(C)(C)C(CC)(C2)C1CCOC,0,GDB ChEMBL
390140,CCOC1OCC(O)C1CO,1,GDB ChEMBL
169397,CC1C[NH2+]C2CCCC(C)([NH3+])C(CC2)C1,0,GDB ChEMBL
305264,C#CC1(C#C)C(CC)[NH+](CCCC)CC1(C)C,0,GDB ChEMBL
61305,CC(CO)(C1CN1)C([NH3+])C(N)=O,0,GDB ChEMBL
353244,CCCN=COc1ccc(Br)cc1,1,GDB ChEMBL
348466,O=CCc1ccc(Cl)cc1C1C[NH2+]C1,0,GDB ChEMBL
76416,COc1cc(C(N)=[NH2+])[n-]c(=[NH2+])cc(C)cc[nH+]1,0,GDB ChEMBL
310784,CC[NH+]1CC2C=CC1C(C)CC2,0,GDB ChEMBL
160332,CCC1CCC2C(C)=CCCC2C1,1,GDB ChEMBL
314135,CC1CC2(CC[NH2+]C2)COC1C1CC1,0,GDB ChEMBL
111525,O=C([O-])COCCCO,1,GDB ChEMBL
129594,C[NH2+]C(C)CCCCCN1CC1S(=O)(=O)[O-],0,GDB ChEMBL
193248,NC(=[NH2+])NC1CC([NH3+])C2(CO)OC12,0,GDB ChEMBL
284312,CC([NH3+])C(C)CC(CO)C(O)C1CC([NH3+])CO1,0,GDB ChEMBL
155797,CC12CC1C=C1c3ccc(Cl)cc3CCC12,0,GDB ChEMBL
358167,Cc1ccccc1OC(C)(C)CCC(C)C,1,GDB ChEMBL
103421,CC1C2CC(CO)[NH+]1C1CC21,0,GDB ChEMBL
122830,CNC1C[NH2+]CC12CC([NH3+])C(C(C)CC#N)C2,0,GDB ChEMBL
334793,CCOCC[NH+](CC)CC(=N[O-])C1CO1,0,GDB ChEMBL
181543,C#Cc1c[nH]c2c(CCC=O)cc(Cl)c([O-])c12,0,GDB ChEMBL
251880,CCNC(=O)N1C2C3NC3C21,0,GDB ChEMBL
114414,CS(=O)(=O)NC1C2OC(C(=O)[O-])CC12[NH3+],0,GDB ChEMBL
147423,C[NH2+]C(CO)CCC[NH+]=C(N)CC(=O)[O-],0,GDB ChEMBL
216561,Cc1cc(Br)c(C[NH3+])c(C)c1C,1,GDB ChEMBL
247628,[NH2+]=C1NCC(NCC[NH3+])C(C2=NCCN2)O1,0,GDB ChEMBL
252635,CC[NH+]1CCC(CCCC(C)C)CCCC1C,0,GDB ChEMBL
206851,CC#CC([NH3+])Cn1ccc(NC)c1,0,GDB ChEMBL
312506,CCCCC1C(C)CC(C)(C)C1CCC,1,GDB ChEMBL
351436,CN=C(N)C(C#N)(CN)C(=O)NC,0,GDB ChEMBL
276180,Fc1ccc2c(c1C(F)(F)F)CCC21CC1,1,GDB ChEMBL
132539,OCC(O)C1C2C[NH2+]C1C(O)C2,0,GDB ChEMBL
382227,C[NH+](C)CCn1ccc2c1CC(=NO)C(=O)O2,0,GDB ChEMBL
259612,CCC1C2CCCC(C)(C)OC(C)C12C,0,GDB ChEMBL
44313,CC(C)C1CC2(C)CCCC(O)C1[NH2+]C2,0,GDB ChEMBL
234521,COC(=O)C1C([NH+]=C(N)N)C2C(=N)OC1C2[NH3+],0,GDB ChEMBL
34916,CC1=CC2(CC#N)CC[NH+](CC1=O)C2,0,GDB ChEMBL
339010,CCc1ccc(F)c(C=O)c1C,1,GDB ChEMBL
77772,C1COCC(NC2C[NH2+]C2)COC1,0,GDB ChEMBL
380250,C[NH2+]C1C(N)C1(C)OCC(O)C[NH3+],0,GDB ChEMBL
48116,C[NH2+]CC12CC([NH3+])C(O)C(O)C1(C)CO2,0,GDB ChEMBL
91175,C#CC1(C)CC(=O)OC(C[NH3+])C(C)C1,0,GDB ChEMBL
391489,N#CC1CC(N)(C(=O)[O-])C[NH2+]CCC1O,0,GDB ChEMBL
12824,CC1CC2CCC(CC2)[NH+]1CC1CCCCC1,0,GDB ChEMBL
205801,CC(C)(C)C1C(O)C=C2C=CCCC21,0,GDB ChEMBL
247354,C[NH2+]C(C)C12CC(C)C1CCC2O,0,GDB ChEMBL
305465,CC1C2CC(C(O)CO2)C1(C)O,0,GDB ChEMBL
290518,CC1CC2CC(C(N)=O)C1C2C,0,GDB ChEMBL
116001,CNc1nc2c(C)ncc2c2ncnccc12,0,GDB ChEMBL
124871,CC(=O)C(C)C1C[NH+]=CN1,0,GDB ChEMBL
331695,CC(CO)OCC(N)=[NH+]CC1CC2CCC1C2,0,GDB ChEMBL
256182,C#CC1=CC(CC(C)(C)C#N)CCCC1,0,GDB ChEMBL
44092,CC[NH2+]CC1CC([NH3+])CC(C)C(C)C1[NH3+],0,GDB ChEMBL
19414,C[NH+]1CC2(O)CNC2(C)CC1CO,0,GDB ChEMBL
321808,COC1C[NH2+]C2C(C[NH3+])C2C1,0,GDB ChEMBL
334488,CC[NH+](C)CC(C)NC=[NH+]C,0,GDB ChEMBL
38493,CC1N(CC2CC2)C(=O)CC1(C)[NH+](C)C,0,GDB ChEMBL
162937,CC1NC(C(N)=O)C(O)(CO)C1[NH3+],0,GDB ChEMBL
362349,C[NH2+]CC(=O)NCc1cnc(C=O)[nH]1,1,GDB ChEMBL
240408,CC1(CO)OC(=O)C2N=C(N)NC(=O)C21N,0,GDB ChEMBL
396768,CC1=CCC2CC(C)C1CC2(C)CC(C)C,0,GDB ChEMBL
352827,CC1CC2C=C1CCC1CCC[NH+]2C1,0,GDB ChEMBL
371702,CC[NH+]1CC2OCC3(CC)C2C13,0,GDB ChEMBL
319829,Cc1nccc(C(C)(C)OC(N)=O)n1,1,GDB ChEMBL
133978,COC(C)(CNC=O)C(O)CO,1,GDB ChEMBL
111480,CNC(=O)C(C)NCC(=O)C[NH2+]C,0,GDB ChEMBL
48068,C#Cc1c(Br)ccc(CCC(C)CCC)c1C,1,GDB ChEMBL
205950,C[NH+]1CCC2(CCCOCCC2=O)C1,0,GDB ChEMBL
181373,CC1OCCC1(C)CCO,1,GDB ChEMBL
230375,CN(C)c1c(Cl)ccc(Cl)c1Cl,1,GDB ChEMBL
230467,C#CCCC1(CCCC)CC2CCC(C)C2C1,0,GDB ChEMBL
137080,NC(=[NH2+])C1CCC[NH+]=C2NC(CO)C(O)C1N2,0,GDB ChEMBL
338624,C[NH2+]C1C=CC2CCC1CC2C,0,GDB ChEMBL
148814,CCOCC(C[NH3+])C1OCC1[NH3+],0,GDB ChEMBL
33181,C[NH2+]C(CC#CCC1CC1C)CC[NH3+],0,GDB ChEMBL
309194,CN=COC(=O)C(N)CC[NH3+],1,GDB ChEMBL
99411,CC1C=C(C(N)(C#N)CCO)C([NH3+])CN1C,0,GDB ChEMBL
211134,CC12CCC3OC(=O)NCCC1(C=O)C32,0,GDB ChEMBL
35460,Cc1ccc(I)cc1C#CC1CC1,1,GDB ChEMBL
299979,COCC12CC1C(C)(C)C(=O)O2,0,GDB ChEMBL
110226,O=C1OC2CC(O)C(C2)C1(O)CCCO,0,GDB ChEMBL
29460,CC(CO)N(C)C(=O)C1CC1O,1,GDB ChEMBL
74341,CC12CCC#CCC[NH+](CC(O)C1)C2,0,GDB ChEMBL
165254,NC1=[NH+]CC(C2CCCC2)O1,0,GDB ChEMBL
235492,CC1(C[NH3+])OC2CC(C)(C(=O)[O-])C1C2C(=O)[O-],0,GDB ChEMBL
257982,[NH3+]C1C=CC2OCCCC12,0,GDB ChEMBL
386169,CC[NH2+]C(CC#N)CCC#CCC#N,0,GDB ChEMBL
386431,C#CC12C(O)C1CCC[NH+]2C,0,GDB ChEMBL
162943,NS(=O)(=O)C12CNC(=O)COC1C2CO,0,GDB ChEMBL
199451,CCC(C)Nc1nc(=O)cc(N)cnc1=O,0,GDB ChEMBL
31340,CC1=CCCC=CCC2CC(CC1)C1CC21,0,GDB ChEMBL
172721,C[NH2+]CCCn1ccc(O)ccc(C)c(C)c1,0,GDB ChEMBL
24064,CC#CCCC[NH+]1CCC(CC)=CC1C=O,0,GDB ChEMBL
365831,CCC(C)C([NH3+])C(N)=O,1,GDB ChEMBL
4934,C#CC[NH2+]C1CCC2C(CC)CCC12,0,GDB ChEMBL
252519,C#CC1=CC(CO)(C2CC2)[NH+](C)C(CC)C1,0,GDB ChEMBL
275612,CN1CC2(C)N(CCC23C([NH3+])C3CO)C1=O,0,GDB ChEMBL
16071,C[NH2+]Cc1cnc(N2CC2)n(C(N)=O)c1=O,0,GDB ChEMBL
47345,N#CCCCC1OC1c1ccc(Cl)cn1,1,GDB ChEMBL
195456,O=C1NC2COC3C2CC(O)C13,0,GDB ChEMBL
259148,CS(=O)(=O)N1C2C(O)C([NH3+])CC21C(N)=O,0,GDB ChEMBL
108128,CC(C(=O)[O-])C(O)C(N)C1CN1C(N)=[NH2+],0,GDB ChEMBL
157717,CCC1CC2CCCCC(C)(C1)C2,1,GDB ChEMBL
22040,CC1=CCC(C)C(CC(C)C)C=C(C)C=C1,0,GDB ChEMBL
18367,N#CC(CN)NC(=O)C(O)C1CO1,1,GDB ChEMBL
356482,CCc1csc(N)[nH+]ccc(=O)c([O-])n1,0,GDB ChEMBL
342335,NC(=O)C(Nc1csnc1N)C(=O)[O-],1,GDB ChEMBL
139776,CC1CCC[NH+]2CC2C(C)C1,0,GDB ChEMBL
142362,C[NH+]1CCCCC2CC(=O)C=C21,0,GDB ChEMBL
156168,CCc1cc(=[NH2+])ccc(NCCO)c1N,0,GDB ChEMBL
278233,CC1(CO)CC2NC(=[NH2+])OC2CN(CC[NH3+])C1,0,GDB ChEMBL
271523,C[NH+](C)CC1OCC(CO)(CCO)CC1[NH3+],0,GDB ChEMBL
67385,C[NH2+]CC1OCC2C(C)C=CC12,0,GDB ChEMBL
161088,CCCCCC1Cc2cc(I)cc(C)c2C1C,1,GDB ChEMBL
274150,O=C1C2CC(O)C(CC3[NH2+]CCC3C1CO)N2,0,GDB ChEMBL
207693,CC1(C)C(C#N)C2C=CC1(CO)C(O)C2,0,GDB ChEMBL
26804,CCC(C)(C)c1cc(C)c(F)c(NC)c1,1,GDB ChEMBL
303871,CC1OC(=Nc2nccs2)C(O)C1[NH3+],0,GDB ChEMBL
77319,CCN(C)C(C)C(=O)OC1COC1,1,GDB ChEMBL
147248,C#CC1C(O)C2C3CCC[NH+]1CC32,0,GDB ChEMBL
382564,C[NH2+]C1CC2CC2(C(C)C)C1,0,GDB ChEMBL
191379,CCCC1CC=CCC2[NH2+]C12,0,GDB ChEMBL
70301,N#CC1(N2CC2C(=O)[O-])CC1,0,GDB ChEMBL
304356,CC(O)C1(NC(=O)C[NH3+])CC1([NH3+])C(=O)[O-],0,GDB ChEMBL
291883,C#Cc1ccc2c(c1C)NCC(C)CC2CC,1,GDB ChEMBL
312874,CCc1cc2c(c(C)c1C)C=CC(O)CC2,1,GDB ChEMBL
85713,CCC12C(=O)N(C)C(=O)C(CNC1=[NH+]C)C2O,0,GDB ChEMBL
62012,CC1NCC(C[NH3+])(C(=O)[O-])CC([NH3+])C1C#N,0,GDB ChEMBL
195227,CCC(C#CC#CC[NH+](C)C)OC,0,GDB ChEMBL
276086,O=C1Cc2cccn2C1,1,GDB ChEMBL
173948,CC1=CC(N)(COCC[NH+](C)C)CNC1=[NH2+],0,GDB ChEMBL
110206,C#CC1OCC2CC1(C)CC2([NH3+])C(=O)[O-],0,GDB ChEMBL
72365,CCCC(C)C=CCC1(CC)CC1,1,GDB ChEMBL
112814,CCc1cc(Br)c(Br)c(CCCC#N)c1,1,GDB ChEMBL
271490,CCC1COC2CC3CC[NH+](C)C3CCC12,0,GDB ChEMBL
50095,C1CCCC2(CC3CC3)CCC(CC1)CC2,0,GDB ChEMBL
255472,C#CC1(C)N=C(OCC)C[NH+](CC)CC1CC,0,GDB ChEMBL
199076,CCCCC(C)C(C)(C)C(C)C,1,GDB ChEMBL
162917,CC1CC=CC([NH3+])CC12CCC[NH2+]CCC2,0,GDB ChEMBL
252285,CCCC1(O)CC(C(C)(C)CC)C1,1,GDB ChEMBL
227793,CC1(CC(=O)[O-])NCC(CN)NC1=[NH2+],0,GDB ChEMBL
185292,CC1CC2CC1C(C)(C(C)[NH+](C)C)CC2[NH3+],0,GDB ChEMBL
261383,[NH2+]=C1NC2CC(NC2=O)C1(C[NH3+])CO,0,GDB ChEMBL
380561,CC1CC1(C)C1CC(C(=O)[O-])CO1,0,GDB ChEMBL
238556,CC(=O)NC1(C(O)CC(N)=O)CC(=NO)C1,0,GDB ChEMBL
349618,Cc1ccc(=N)nc(NC(N)=O)c1N,0,GDB ChEMBL
126413,COC(=O)C1C(O)CN2CC([NH3+])C1(C)C2,0,GDB ChEMBL
125566,CCC1(CC)CCCCCCCC(C)C(C)C1,0,GDB ChEMBL
362561,CC[NH+](C)C1CC([NH3+])CC2(CN2)C(O)C1,0,GDB ChEMBL
260682,OC1C=CC([NH+]2CCC2)CC(O)C1,0,GDB ChEMBL
4987,C#CC[NH2+]C(C)C1(CO)OC1C#C,0,GDB ChEMBL
289275,CN=CN1C(=N)OCC(Nc2nccs2)C1=O,0,GDB ChEMBL
164656,CCC1=CCOCC=C1CCO,0,GDB ChEMBL
389607,C[NH2+]CC1CC(C#N)(C([NH3+])C(C)CO)C1,0,GDB ChEMBL
236681,CN(C(N)=O)C12CC1([NH3+])CNC2=O,0,GDB ChEMBL
193813,CCC(COC=O)[NH+]=C(NC)NC,0,GDB ChEMBL
290170,CCOCC12CCC([NH+]3CCCC3C)C1N2,0,GDB ChEMBL
338892,Cc1[nH+]c(N)c(CCO)n1CCOC=O,0,GDB ChEMBL
288725,C#CC1(O)CNC(=O)CC(C(=O)[O-])CC1(C)O,0,GDB ChEMBL
309634,CCCCCC1C=C2CCCCC2C2CC12,0,GDB ChEMBL
16508,COC(=O)C1C2OC(C(N)=O)C1(O)CC2O,0,GDB ChEMBL
76074,CS(=O)(=O)NC1CC12C(=O)NC(=O)C2N,0,GDB ChEMBL
72434,C=CC1(CC)CC2CCC(C)C1C2,0,GDB ChEMBL
37116,C=CC(C=O)NC(=O)CNC(N)=O,1,GDB ChEMBL
240427,C=C1C(O)CC2(C)CC(C)C1[NH+]2C,0,GDB ChEMBL
339121,CCOc1c(C)cc(Cl)c(CC(C)(C)C)c1C,1,GDB ChEMBL
177272,CC1(C)CC(OCC2CC[NH2+]2)C1,1,GDB ChEMBL
99859,CS(=O)(=O)[N-]c1noc2c1CCC2CO,0,GDB ChEMBL
130183,CCCCN1CC2(O)CC(N)=[NH+]C2C(O)C1=O,0,GDB ChEMBL
280673,OC1C2C[NH2+]C3COC1C(C3)O2,0,GDB ChEMBL
190851,[NH3+]C1C=CCc2cccc(c2Br)NCC1,0,GDB ChEMBL
228512,NC(=O)OC(C[NH3+])C1OC1C(C[NH3+])CO,0,GDB ChEMBL
338350,CCC(=O)C(O)C1(O)CCCCC1OC(C)C,0,GDB ChEMBL
130831,CCCCC1([NH2+]C)CC1n1cccc1,0,GDB ChEMBL
358598,NC(=[NH2+])CCN(C=O)C1COC1=O,0,GDB ChEMBL
338970,C#CC1([NH3+])C(CO)CCC12CC[NH+](C)CC2,0,GDB ChEMBL
127176,C[NH+]1CC2CC(C1)[NH+]=CN2,0,GDB ChEMBL
322839,COC1C=CC(=O)C2N(C)CC[NH2+]C12C,0,GDB ChEMBL
11737,N#CCn1cncc1C(N)C[NH3+],0,GDB ChEMBL
345711,CC1(CC2CC2[NH3+])CC(O)C(=O)N1,0,GDB ChEMBL
372560,CCC12CC(C(N)=O)(C1)N(C)CCO2,0,GDB ChEMBL
263267,CCCC(=[NH2+])NCC(O)(C#N)CO,0,GDB ChEMBL
333896,O=C([O-])C1CC2(O)COC2C(=O)CN1,0,GDB ChEMBL
180008,COCC(C)([N-]S(=O)(=O)C#N)C(N)=O,0,GDB ChEMBL
342372,CC(=O)C(O)Cn1ccnn1,1,GDB ChEMBL
150149,NC(=O)C1C2CC(CO)NC(=O)N21,0,GDB ChEMBL
337130,CC(C)n1nccc1C1CC1,1,GDB ChEMBL
347926,CC(C)(C#N)OC(=N)c1ccc(Cl)c(O)c1O,1,GDB ChEMBL
173706,CC[NH2+]CCCOc1c(O)nc(C)c(Cl)c1C,0,GDB ChEMBL
284674,CCC1CC2CC1(C)OC(C)CNC(C)C2=O,0,GDB ChEMBL
136529,Nc1cnc(N)c(F)c1S(N)(=O)=O,1,GDB ChEMBL
21444,CC1CC(=O)OC2C3C4CC4C2N13,0,GDB ChEMBL
318080,C[NH2+]C(CC(C)(C)O)C1OC(=O)C1(C)CO,0,GDB ChEMBL
283994,CC1([C-](C#N)C#N)C(O)CC[NH2+]C1CNC=O,0,GDB ChEMBL
363213,CCCN=C(C)OC(=O)C(=O)C(C)C,1,GDB ChEMBL
95942,C#Cc1cc(C(=O)[O-])cc2c(CC)nsc12,0,GDB ChEMBL
109154,NC(=O)c1cnc(C(=O)[O-])c(N)c1,0,GDB ChEMBL
256017,NC(=[NH2+])N1C(C[NH3+])CC2(CO2)C1C(=O)[O-],0,GDB ChEMBL
29922,CC(O)C(C#N)(C#N)C(CO)NCC[NH3+],0,GDB ChEMBL
294198,C=CC1(C[NH3+])OC(=O)C(C)C1OC,0,GDB ChEMBL
340101,CC(CCS(=O)(=O)C(=N)N)C(=O)[O-],0,GDB ChEMBL
380573,CC1=CCC[NH+]2CCCC2CC=CC1,0,GDB ChEMBL
348854,C#CCC1(CCCC(C)C)CCC1,1,GDB ChEMBL
383755,C#CC1C=CCC[NH+](CCN)C1,0,GDB ChEMBL
283223,C#CC1(C)CC(CC)(CC(C)C)CC1[NH2+]CC,0,GDB ChEMBL
34147,NC(CO)C(=[NH2+])NC1CC1,0,GDB ChEMBL
68612,Nc1cc(Cl)c2c(c1)CC(C1C[NH2+]1)C2,0,GDB ChEMBL
320330,CC12CCC(OCC([NH3+])C1)C1CC12,0,GDB ChEMBL
50068,CC1C([NH3+])CC(O)C([NH3+])COCCNC1C[NH3+],0,GDB ChEMBL
289294,CCc1ccc(Br)cc1C1(C)CCC(C)(C)O1,1,GDB ChEMBL
366927,CCCC1CC[NH2+]C1C1CC2C=CC1[NH+]2C,0,GDB ChEMBL
285770,CCCCCCCC#CCOC1CC(C)C1,1,GDB ChEMBL
379220,COC(=O)C(C[NH3+])OC(C)C1C[NH2+]C1,0,GDB ChEMBL
41043,CCC(C)(C)CC1CC[NH+](C)CC1C,0,GDB ChEMBL
279266,CCCC(C)C1(C#N)CC([NH3+])CC1(C)O,0,GDB ChEMBL
280837,CCC1CCCCC2=CC1[NH2+]CC1CC1C2,0,GDB ChEMBL
13828,C#CC1=CCCC=CC1CCCCC,0,GDB ChEMBL
5009,COC1(C(=O)CCO)CC1C#N,1,GDB ChEMBL
3001,COC(C)Cc1c(CC(C)C)ccc(C)c1Cl,1,GDB ChEMBL
130577,C#CC(C[NH3+])(CO)N1CCN(C(=O)CN)C1=O,0,GDB ChEMBL
193320,CC(=O)C(c1cnc(C)nc1C)C(C)C,1,GDB ChEMBL
169422,Cc1ccccc1C#CC1CC1(C)O,1,GDB ChEMBL
219568,CCC1C=C(C([NH3+])CCOC)C[NH2+]1,0,GDB ChEMBL
37659,CCC12C=CC[NH2+]CC(CCC(C)C1)C2,0,GDB ChEMBL
359110,N#CC(O)(C=O)CC(=O)NC(=N)N,1,GDB ChEMBL
34175,COCCC(N)(C#N)C1(C)C[NH+](C)C(C)C1C,0,GDB ChEMBL
244509,CC(=O)Oc1cc2[nH]ncc2nc1N,1,GDB ChEMBL
118153,Cc1cc(Cl)c2c(C#N)c(C)ncc2c1Cl,1,GDB ChEMBL
391305,C#CC(CC)OC(=O)C1(N)CC1CO,1,GDB ChEMBL
162887,CC1CC2CC([NH3+])C1(O)C(O)C[NH+]2C,0,GDB ChEMBL
256137,CC(NS(C)(=O)=O)C(C)(O)C[NH3+],0,GDB ChEMBL
42280,CC(C#N)NCC12CCOC(CC(=O)C1)O2,0,GDB ChEMBL
304493,O=CNC(=O)OC(CO)C(O)C(=O)[O-],0,GDB ChEMBL
66148,C[NH+]1CC2C(O)C([NH3+])COCC2(NC(N)=O)C1,0,GDB ChEMBL
122735,Nc1cccc(C[NH2+]CC2CCC[NH2+]C2)c1,0,GDB ChEMBL
120520,N#CC1(N)C(N)C1NCC(=O)[O-],0,GDB ChEMBL
94742,CC(C=O)N1C(=O)COC(=O)C1=O,1,GDB ChEMBL
204546,CC(CO)c1cn(CC=O)cn1,0,GDB ChEMBL
36006,COc1ccn2c1C(C)C([NH3+])C(O)C2,0,GDB ChEMBL
243333,CC1C(CC(C)(C)C)CC(C2CC2)C1C,0,GDB ChEMBL
78292,C#CCCCC1C(C(C)CC)C(C)CC1(C)C,0,GDB ChEMBL
130873,CC1(C)CNC1(CO)C(F)(F)F,0,GDB ChEMBL
159886,Cc1cc2c(cc1Br)C(C)CC(C)(C)C2O,1,GDB ChEMBL
310740,C#CC1[NH2+]CCOC(CC)C(C=O)NC1=N,0,GDB ChEMBL
338569,CCC1C2CC(C)(C1CCO)C1(O)CCC2C1,0,GDB ChEMBL
289854,C(=Cc1cnco1)C[NH2+]CC1CC1,0,GDB ChEMBL
37176,Cc1[nH]c2c(C)c(I)c(N)cc2[nH+]1,0,GDB ChEMBL
289287,Cn1cc(NCCO)c(N)n1,1,GDB ChEMBL
76055,CC1(C)CC2CCC=CCCC(C2)C1,1,GDB ChEMBL
288630,CN1C2=[NH+]C(C)(C)C[NH2+]CCC1CN2,0,GDB ChEMBL
259682,CCC1C(CO)OC(=O)N1C(=O)C(=O)[O-],0,GDB ChEMBL
269161,C[NH2+]CC(CC(=O)[O-])C1N=C(N)OC1C,0,GDB ChEMBL
379891,CCC(C)C1C[NH2+]CCCOC=NC1CCO,0,GDB ChEMBL
372723,C#CC12CC(C)C(C[NH3+])CCCC1O2,0,GDB ChEMBL
245496,CCCC1C2CCC(CC(C)C)CC(C)C12,0,GDB ChEMBL
173713,O=C1NCC23CCC(OC12)C3O,0,GDB ChEMBL
225820,Cc1cc(C2CC2)c2c(F)ccc(C)c2c1,1,GDB ChEMBL
28191,COCCC1[NH2+]C(CO)C2(O)C(O)C12,0,GDB ChEMBL
78676,CC(O)C12CC1CN(C(=O)C[NH3+])C2=N,0,GDB ChEMBL
361627,CC#Cc1ccc(CO)c(Cl)c1C#N,1,GDB ChEMBL
54057,C#CC1CC[NH+]2CCCCCCC(C)(C)C1C2,0,GDB ChEMBL
13849,CC1([NH3+])CNC(C[NH3+])C(OC(N)=O)C1C(N)=O,0,GDB ChEMBL
305778,Cc1oc(N)nc1COC(N)=O,1,GDB ChEMBL
281855,CCC1Cc2cc(C)c(I)cc2C2CCCC12,0,GDB ChEMBL
357657,C=CC1CC(C(C)OC)C[NH2+]C1C,0,GDB ChEMBL
45685,CC(O)C[NH+]1CC2CC1C(C)CO2,0,GDB ChEMBL
119256,CCC1(CCO)C2C(N)=CC(=O)N(C)C21,0,GDB ChEMBL
311002,CC(C)C1C#CCOC(=O)CC[NH2+]1,1,GDB ChEMBL
214897,CC1CCCOC2CCC1C21CC1[NH3+],0,GDB ChEMBL
286832,N#C[C-]1C(=O)OC(C([NH3+])CO)C1(N)C[NH3+],0,GDB ChEMBL
16787,COC(=O)NCCC(=O)C(C#N)=N[O-],0,GDB ChEMBL
106587,CCC1CC(O)C(C[NH3+])C=C1COC,0,GDB ChEMBL
109782,CCC#CCCCC(C)C(C)C(C)C,1,GDB ChEMBL
10980,CN=C(NC=O)NC1CC1,1,GDB ChEMBL
280422,CN1C(CS(N)(=O)=O)C2CC1C1OC1C2=O,0,GDB ChEMBL
223281,Nc1nc(-c2nc(CC(=O)[O-])no2)cs1,1,GDB ChEMBL
116016,CC1C(C)C2NC(=O)OC2C(O)C1[NH3+],0,GDB ChEMBL
122839,NC1=[NH+]CC(O)C2C([NH2+]CC(=O)[O-])C12,0,GDB ChEMBL
253621,COC(=O)C1OC(C)(C(=O)NC(C)=O)CC1=O,0,GDB ChEMBL
283396,CC1(C)CC2CCC(C1)C(C)(C)CCC2(C)C,0,GDB ChEMBL
1980,CC[NH+]1CCC(C)(O)CC1C(C)C(C)O,0,GDB ChEMBL
65586,CC1CCCC2(C[NH+](C)C)C=CC(C=O)C12,0,GDB ChEMBL
118101,C#CC(C)(C(C)CC)C(C)CCCC,0,GDB ChEMBL
258341,Nc1cc2nn(CC(=O)[O-])nnc-2n1,0,GDB ChEMBL
280771,N#CC(COC(=O)C(=O)CCCO)OC(N)=O,1,GDB ChEMBL
281173,C#CCc1ccc(-c2ccsc2)c(CC)c1,1,GDB ChEMBL
118678,O=C([O-])C1NC2(C(=O)[O-])CC2C1O,0,GDB ChEMBL
332476,CCCC=CC1[NH2+]C(C)C(N)C1O,0,GDB ChEMBL
160823,N=C1NC(=O)CC1(CO)C(=O)[O-],0,GDB ChEMBL
99866,NC(=O)NC(=O)[C-](C=O)C(=O)CO,0,GDB ChEMBL
292562,CCn1cnc(OC)c1NC,1,GDB ChEMBL
353212,CC1(C#N)CC2OCCNC21,0,GDB ChEMBL
8711,Cc1nc(O)sc1C(N)=O,1,GDB ChEMBL
286841,CN(Cc1cc[nH]n1)C(N)=[NH2+],0,GDB ChEMBL
27963,CCc1cc(CC(O)C#N)nc(O)n1,1,GDB ChEMBL
171321,CCC1C(=O)NC1C(=O)[O-],0,GDB ChEMBL
194276,CCc1c(C)c(C)nc(N)c(=N)c1C(=O)NC,0,GDB ChEMBL
309152,COC(C#CC[NH+]=C(N)C(C)C)CC[NH3+],0,GDB ChEMBL
309839,OCC[NH2+]C1C2CC3C2CC31,0,GDB ChEMBL
116078,COC(C(N)=O)C(C)OC(N)=O,1,GDB ChEMBL
29666,COC(=O)N1C2C(C(C)O)NS(=O)(=O)C21,0,GDB ChEMBL
182916,NS(=O)(=O)CCC(C=O)(C=O)C=O,1,GDB ChEMBL
335503,CC(Cn1cnc(=N)nn1)C(=O)[O-],0,GDB ChEMBL
288561,COC(=O)NCC1CN2CC12,0,GDB ChEMBL
377791,C=C1CN(C)C2(C(N)=O)COC1C2,1,GDB ChEMBL
332332,CC(=O)OCC1(C(C)C)OC1C,1,GDB ChEMBL
362699,C=C1CC=C(C)CC1OCC(C)O,1,GDB ChEMBL
298961,NC1CNC(=[NH2+])OC(CO)C1O,0,GDB ChEMBL
389661,CC(O)C(C)CC1(C)C(C)CC2CCCC21C,0,GDB ChEMBL
235706,C[NH2+]C1C(=O)CCCC(O)C2CC12,0,GDB ChEMBL
147935,CC1CC#CCCc2cccc(c2I)O1,1,GDB ChEMBL
392525,CC(C)(C[NH3+])CC1CC[NH2+]1,0,GDB ChEMBL
198643,CC#CC(CCC1CC1)[NH2+]CC,0,GDB ChEMBL
334114,C#CCCc1c(O)c(C#C)cc(Cl)c1CC#C,0,GDB ChEMBL
26791,CC1COCC2C(C)[NH2+]CC12,0,GDB ChEMBL
300710,CC12CCC3(C)CC1CCCC3C2,0,GDB ChEMBL
253605,CCC(O)CC1=CCC[NH+]2CCC(C)(O)C12,0,GDB ChEMBL
339088,Cc1cc(O)n(C(C)(C)C)c1,0,GDB ChEMBL
160812,CC1NCC(O)C(C#N)[N-]C(=O)NC1=O,0,GDB ChEMBL
203554,N#CC(O)C(CC(=O)[O-])NC=O,0,GDB ChEMBL
235578,CC(=O)C1(O)C(O)C1NC(N)=[NH2+],0,GDB ChEMBL
356867,CCN1CC(C)(C)[NH2+]C(CCCO)COC1=[NH2+],0,GDB ChEMBL
115945,C#CCC1CC2CC1OCC(C)([NH2+]CCC)C2,0,GDB ChEMBL
228455,CCCC1[NH2+]C2(C)CCC(O)C1C(O)C2,0,GDB ChEMBL
344304,CC1CCC[NH+]2CCCCC1C2,0,GDB ChEMBL
240778,COC(CC1COC(=O)CC1[NH3+])C(C)[NH3+],0,GDB ChEMBL
23531,N#CC1(N(CCOC(N)=O)C(N)=O)CC1,1,GDB ChEMBL
290109,C#CC(C)C1(C)CC(C(F)(F)F)CCC1C,0,GDB ChEMBL
222817,CC1CCC(CCC(C)(C)CCC(C)(C)C)C1,1,GDB ChEMBL
176460,CC(=O)CCCNC(=[NH2+])CO,0,GDB ChEMBL
204504,C#CC(=NC(C)C)OCC(C)(C)O,1,GDB ChEMBL
292660,C#Cc1cn[nH]c1C(CC)CC(C)C,0,GDB ChEMBL
79377,CCCC1CCC2(C(=O)[O-])CC3CCCC3C12,0,GDB ChEMBL
262531,CCC1(C)C([NH2+]C)C12C[NH2+]CCOC2,0,GDB ChEMBL
214886,[NH3+]C12CCOCCCN(C1)C(=O)CC2,0,GDB ChEMBL
362054,CCC(C)(C)CCCc1cc(N)cc(OC)c1,1,GDB ChEMBL
106002,C[NH+]1CC2CC(C(N)C1)C(O)C(C)(O)C2,0,GDB ChEMBL
38622,CCCC#CCOC1(CC)CC1,1,GDB ChEMBL
265517,C#CC1CN=C(N(C)C(=O)C2CC2)NC=N1,0,GDB ChEMBL
151283,CC1CC2CCCC(C)(C)CCOC1C2,1,GDB ChEMBL
184687,CCC1C([NH3+])CNC(=O)C1C(O)C#N,0,GDB ChEMBL
358822,CNC(=O)C(Cn1cc([O-])nn1)C(N)=O,0,GDB ChEMBL
43950,CCC1CC2(C)CC(C)C(C2C)[NH+]1C,0,GDB ChEMBL
120892,CCCCC(C)C1CC2CC(C)(O1)C2[NH3+],0,GDB ChEMBL
61827,CCC(CC)CCc1c(Br)cccc1Br,1,GDB ChEMBL
243752,CC(C(C)(C)C)C12CCN(C)C1C(C#N)CO2,0,GDB ChEMBL
181556,CCC(=O)C(CC1CC(CO)NC(=[NH2+])O1)[NH2+]C,0,GDB ChEMBL
59612,CC1=CC=CC(CCO)(OCC(C)C)CC1,1,GDB ChEMBL
295904,CC1=CC2CC(C)(C3CC3C)C1CC[NH2+]2,0,GDB ChEMBL
21558,CCC(Cc1c[nH+]c(C)c(=N)[nH]1)C(=O)C(C)C,0,GDB ChEMBL
280804,CC1(O)CC=C(CO)C[NH2+]C(C)(C(N)=O)C1,0,GDB ChEMBL
255544,CCc1c(I)cc(C)c2c1OCC2C1CC1,1,GDB ChEMBL
280765,CCC1(C)C(C)CC2C=CCCC1C2,0,GDB ChEMBL
179141,CC1OC1C(O)C(C(N)=[NH2+])C(N)C(N)=O,0,GDB ChEMBL
217718,O=C([O-])C1C(O)CN2C(CC(O)CO)C12,0,GDB ChEMBL
258706,Cc1nc(N)cc([N+](=O)[O-])c1NC(N)=[NH2+],0,GDB ChEMBL
287364,O=C1OCC(C(=O)[O-])C(O)C(CO)O1,0,GDB ChEMBL
298208,C#CCC1COC2CC(CCCC)CCCC12,0,GDB ChEMBL
305292,CCCC1(C)C(C)C(C(CC)C[NH3+])C1C,0,GDB ChEMBL
70987,N#CCN1CC(CO)(C(N)=O)C1,1,GDB ChEMBL
157689,C#CC1CC2CC2c2c(C)ccc(Cl)c21,1,GDB ChEMBL
100733,C#CC(C(N)=O)C(C)[NH3+],0,GDB ChEMBL
215338,CC1CC[NH2+]CC(N)C2CC2(O)CC1,0,GDB ChEMBL
194395,C#CC1CCC(C(C)=O)C(C(=O)[O-])CC1,0,GDB ChEMBL
38484,[NH3+]C1C2NC(=O)C(CO)NC12,0,GDB ChEMBL
121721,CCC12NC(=O)COC(=O)C1C(O)C2C,0,GDB ChEMBL
59699,CC12CC(C1)[NH+]1CCOCC12,0,GDB ChEMBL
313755,CCC1CCC2CCC(CC(C)C)C12,0,GDB ChEMBL
41179,CCCCC1=C2C[NH+](CC)CC2CC1,0,GDB ChEMBL
84511,Cc1[nH]c2ccccc2c(=O)c1CCNC=O,1,GDB ChEMBL
114753,OCCCc1cnc(CO)o1,1,GDB ChEMBL
229463,C[NH2+]C(CCC[NH3+])C(CO)(CC(C)C)OC,0,GDB ChEMBL
225068,CCCC1(C#N)C2CCC1(C)C[NH2+]2,0,GDB ChEMBL
7411,CCC(=O)NCC(C)CNc1nnns1,1,GDB ChEMBL
353590,CCC1CCC2(CC=CC[NH2+]2)C1,0,GDB ChEMBL
11407,CC1(C)C=CCCC=CCC1C[NH3+],0,GDB ChEMBL
17063,COC1(CC(C)CO)C(O)C(C)CC1C(C)O,0,GDB ChEMBL
343991,CC(C)C[NH2+]C(CO)C(=O)C1(O)C[NH+]=C(N)C1,0,GDB ChEMBL
6557,CCCN(CC#N)c1coc(C#N)c1CNC,1,GDB ChEMBL
382220,O=CNCC(O)C(=O)C[NH2+]CCC(=O)[O-],1,GDB ChEMBL
340109,CN(C=O)C(=O)NCCC[NH3+],1,GDB ChEMBL
151795,CC(=N)N(CC(C#N)NC=O)C(N)=O,1,GDB ChEMBL
13815,C#CC[NH+](CC)CC1CCC1(C=NO)CC,0,GDB ChEMBL
360997,CC(=O)NCCC(C#N)n1cnnn1,1,GDB ChEMBL
260698,CCC(NC(=O)C1NC1CO)C(=O)[O-],0,GDB ChEMBL
313707,CN(C)S(=O)(=O)c1cnc(O)c(N)n1,1,GDB ChEMBL
93437,CCCC1C(C=O)C2C=CCC(O)C1C[NH2+]2,0,GDB ChEMBL
177135,Cc1cnn(C)c1C(C(C)C)C(C)C#N,1,GDB ChEMBL
31344,N#CC1CCOCCOCCC1[NH3+],0,GDB ChEMBL
390479,CC(C)C1CC(=O)C(C)C2CCCC12,1,GDB ChEMBL
7830,CNC(=O)CN(C=O)C1(C#N)CC1N,0,GDB ChEMBL
149343,CCc1[nH]ncc1C(C)O,1,GDB ChEMBL
57286,CN1CC#CS(=O)(=O)CCC(=O)NCC1,0,GDB ChEMBL
161361,NC(=O)C([NH3+])C1C(CCO)OC2OC(N)=NC21,0,GDB ChEMBL
33243,CC[NH+]1CCC2C3C=C(C)C2C1C3,0,GDB ChEMBL
241082,N#CCNC(=O)NC(=O)n1nc([O-])cc1CN,0,GDB ChEMBL
29200,CCc1ccc2c(c1)C1CC2C12CC[NH2+]C2,0,GDB ChEMBL
361132,C[NH+](C)Cc1c(Cl)ccc2ccccc12,0,GDB ChEMBL
338631,c1cnc2c(c1)C1OCC2O1,1,GDB ChEMBL
239984,C#CCC1(C)CC(C)=CCC(C)C1,0,GDB ChEMBL
77048,CC(=N)N1C(=O)C(O)C1C[NH3+],0,GDB ChEMBL
330968,C#CCC1(C(=O)C(=O)NC)COCC(C)C1O,0,GDB ChEMBL
34258,NC(=O)C1[NH+]=C(N)C(CO)C2CC12,0,GDB ChEMBL
186621,Cc1oc(C)c(OCCO)c1C[NH3+],0,GDB ChEMBL
300017,CS(=O)(=O)Nc1c(O)[nH]c2c1C(=O)OC2,0,GDB ChEMBL
338346,CC(=O)CC(C#N)(C#N)C(C)O,1,GDB ChEMBL
72423,[NH3+]CC1C=CC(CO)CN1,0,GDB ChEMBL
92873,CCCC1(C)COCC(N)C2[NH2+]CC=CC21,0,GDB ChEMBL
115387,N#CCN1C(=O)CCC1(C[NH3+])C(N)=O,1,GDB ChEMBL
302582,Cn1nccc1C(NC=[NH2+])C(CCO)NC=O,0,GDB ChEMBL
125585,CC1CCCNC(=O)n2c(nc(N)c2N)CO1,0,GDB ChEMBL
45987,C[NH2+]C12COCC(C[NH3+])C1CC[NH2+]CC(N)C2,0,GDB ChEMBL
320318,N#CC1C2NC(C(N)=O)C1OC(C(N)=O)C2O,0,GDB ChEMBL
40917,C[NH+]=C1CC(=O)N(C)C(C(C)(C)C)CCN1C,0,GDB ChEMBL
325854,CC(=O)CCCC(C)Cc1cc(C)ccc1I,1,GDB ChEMBL
349624,CCCc1cnc(C(NC)C(C)[NH2+]C)cc1Cl,0,GDB ChEMBL
45022,C#CC(C[NH2+]CC(C)C#N)COC(N)=O,0,GDB ChEMBL
48771,CCCC1C(C)CN1CC#N,1,GDB ChEMBL
93462,CCC1=CCCCC2(CC)CC[NH2+]C2CC1,0,GDB ChEMBL
174179,CCCCC1CC(=O)CC[NH+]1C(C)(C)C(C)O,0,GDB ChEMBL
340503,CC(CO)(CO)C1(C[NH3+])OC(=N)NC1C(N)=O,0,GDB ChEMBL
48002,NC=[NH+]C(CC[NH2+]CC=O)C(=O)[O-],0,GDB ChEMBL
181388,CCc1cc(C)c(C2(C)CC2)cc1Cl,1,GDB ChEMBL
137097,CCCC1CC2CC(COC)C3C1C23,0,GDB ChEMBL
228896,COC1CC=CC[NH+]2CC3CCC(C3)C2C1,0,GDB ChEMBL
23566,C#CC(c1ccc(CCC)cc1C)C(N)C#N,1,GDB ChEMBL
353600,CCC1CC[NH2+]C2C(CO)C12,0,GDB ChEMBL
109735,CC(C)CCC1CCC(=O)CC(C)C1C,0,GDB ChEMBL
99705,C#Cc1cccc(N(CC)C(C)(C)CC)c1C,1,GDB ChEMBL
26949,[NH3+]C(C(=O)[O-])C1NC(=O)CC2([NH3+])C(O)C12O,0,GDB ChEMBL
1950,CN1C(=[NH2+])CCC(C=O)C1CCC(N)=O,0,GDB ChEMBL
385391,CC1=CCC(C(C)(C)O)C(C2CO2)C(=O)N1,0,GDB ChEMBL
259609,CC1CC2CCC(C1)C([NH3+])C[NH2+]2,0,GDB ChEMBL
203766,COC(=O)C(NC(N)=O)c1cnns1,1,GDB ChEMBL
219562,[NH3+]CC(NCc1nnnc(O)n1)C(=O)[O-],0,GDB ChEMBL
87552,CC#CCC(C)(O)C1CCC(C)(OC)CC1,1,GDB ChEMBL
35471,CCC([NH3+])CN(CC)C(C)(C[NH3+])CC(C)CO,0,GDB ChEMBL
340552,CC1C2OC(=O)CC(CO)(C2O)C1(C)O,0,GDB ChEMBL
263210,C[NH+]1CC(O)C2(C(=O)[O-])CC1CC21C[NH2+]C1,0,GDB ChEMBL
215345,CCC1(C)CC(CC2CCCC2[NH2+]C)C1,0,GDB ChEMBL
375860,[NH3+]CCC#CC1C2COCC12,0,GDB ChEMBL
297030,CC#CCC[NH+](C)CC1C(CC)C1C(C)C,0,GDB ChEMBL
102124,[NH3+]CC(CO)OC(=O)C(CO)CO,0,GDB ChEMBL
345747,OCCc1cc(F)ccc1F,1,GDB ChEMBL
260521,COc1nonc1NCC([NH3+])C(CO)OC,1,GDB ChEMBL
295874,C[NH2+]C1CCC=C(C)CC1,0,GDB ChEMBL
257406,C#Cc1cccc(C2CC2[NH+]2CCCC2)n1,0,GDB ChEMBL
361642,C#CCC(C)(C)OCC1([NH3+])CCC=CCC1,0,GDB ChEMBL
138400,C[NH2+]C(C)(C)C(C)(CO)C1(O)CCC(C)CC1,0,GDB ChEMBL
302275,C#CCCC(C#C)c1cc(Br)c(C)cc1OC,0,GDB ChEMBL
31281,CCCC1=CCCC2C1CCC2(C)C,0,GDB ChEMBL
280697,C[NH+](C)CCCCC#CC([NH3+])CC1CC1,0,GDB ChEMBL
210239,CC1=NC(C#N)COCCC(CO)O1,1,GDB ChEMBL
388251,CCC1(C)C(C[NH2+]C)CCC(C=NO)C1O,0,GDB ChEMBL
263458,C#CC1(c2cccc(C)c2C[NH3+])CC(C)C[NH2+]1,0,GDB ChEMBL
263243,CCC1CC([NH2+]C)C(CC2CC2)C1C,0,GDB ChEMBL
48761,CC[NH+](C)C1CC(C(C)C)CC2[NH2+]C(C)CC21,0,GDB ChEMBL
128274,C#CC1(OCC)CC(=O)NC=C1C=O,0,GDB ChEMBL
38207,CCC1CCCC1C1=Cc2cccnc2C1,0,GDB ChEMBL
44672,CCCC1CCCC12CC(C)C2,0,GDB ChEMBL
230710,NC(=O)C1CC1(O)C([NH3+])COCCO,0,GDB ChEMBL
155195,C#CC1[NH+]=C(CCCC)N2C(C)C(C)CC12,0,GDB ChEMBL
45962,NC(=O)N(C=O)C1COC1CC[NH3+],0,GDB ChEMBL
165233,CC(=O)OC1C2CC([NH3+])C1C(N)=[NH+]2,0,GDB ChEMBL
174025,CC1CCCc2ccc(Br)c(N)c2N1CC#N,1,GDB ChEMBL
85835,NC1(CO)C(=O)OC2C([NH3+])CC1C2O,0,GDB ChEMBL
113570,C#CC#Cc1ccc(C#N)c(F)c1F,1,GDB ChEMBL
26012,CCOC(C(C[NH3+])OC)S(N)(=O)=O,0,GDB ChEMBL
179118,CC1CCCC#CCC[NH2+]1,0,GDB ChEMBL
99638,COC1C(C#N)=CCCC1C,1,GDB ChEMBL
229480,CCCCC1CCC2(CCCC(O)CCC2)C1,0,GDB ChEMBL
294220,CC(C)C(C#N)C1CCCC1,1,GDB ChEMBL
277682,[NH3+]C1CCOC1C(=O)OCCS(=O)(=O)[O-],0,GDB ChEMBL
358256,CC(C1=CCCC1)C1COCC(C[NH3+])N1C,0,GDB ChEMBL
60646,C=CC1CC(C)CCC(O)C2CC12,0,GDB ChEMBL
163382,NC(=O)C[NH2+]CC1CC2OCOC1CNC2=O,0,GDB ChEMBL
346553,COCC1=C(CC(C)C)C(=[NH2+])NC1,0,GDB ChEMBL
174191,NC(=O)OC1CS(=O)(=O)CC(C(N)=O)C1=O,1,GDB ChEMBL
203310,COCCCOCCOc1ncnnn1,0,GDB ChEMBL
160803,C#CCCC(CC)C(C(C)C)C(C)(C)C,0,GDB ChEMBL
330070,COC1CC2C(=O)OC1C2C(C)C#N,0,GDB ChEMBL
346815,C#CC12COCCC1C([NH3+])CCC(C(C)C)C2,0,GDB ChEMBL
69612,C[NH2+]C1C2CC(CC3(C)CCCC3C2)C1C,0,GDB ChEMBL
384801,CC1NC(S(=O)(=O)CC(N)=O)COC1CO,0,GDB ChEMBL
288427,C#CC(C)C(C)(CC)C(CC)C(CC)CCC,0,GDB ChEMBL
225339,NC(=O)N1CCC1C(=O)CO,1,GDB ChEMBL
150558,CCCCC(CC)CCC(C)C(C)(C)C,1,GDB ChEMBL
276271,CN=C1NC(=O)C2OCC[NH2+]CC12,0,GDB ChEMBL
227909,CC1N(C(N)=O)CC(CC(=O)[O-])S1(=O)=O,0,GDB ChEMBL
309849,CC[NH2+]CC(C)(O)COC(C)CC=O,0,GDB ChEMBL
221706,CCCC(C)CC1C[NH+]2CC12,0,GDB ChEMBL
322941,CC1(O)C(=O)OC1CNS(C)(=O)=O,1,GDB ChEMBL
340416,COc1c(C)cc(C)cc1CC(N)(C[NH3+])C[NH3+],0,GDB ChEMBL
394371,Cc1nn2cccc2nc1C(C)O,0,GDB ChEMBL
114995,CCCc1cccccccc(C)c1,0,GDB ChEMBL
184632,CC1=CCC2(C)CCC(C(N)=O)C([NH2+]2)C1C,0,GDB ChEMBL
99690,NC(=O)C(=N[O-])C1OC(=O)CC1(O)CO,0,GDB ChEMBL
375581,C[NH2+]C1C2C(C)(CC[NH3+])[NH2+]C(C(=O)[O-])C12O,0,GDB ChEMBL
161932,CCC1CC(O)C2(C)CC(OC)C[NH+]12,0,GDB ChEMBL
334670,CC1OC(=O)C(C(=O)[O-])C(O)C1O,0,GDB ChEMBL
172349,COCC(CO)NC(=O)C1=CCNS1(=O)=O,0,GDB ChEMBL
251874,CC1C[NH2+]C2(C(C)O)C(CCC(N)=O)C12,0,GDB ChEMBL
334595,C#CC1CCC(O)COC1,1,GDB ChEMBL
208597,CC(=O)NC1C2NC1S(=O)(=O)CC2O,0,GDB ChEMBL
236680,CNC(=O)c1cnn(C2CC2)c1N,1,GDB ChEMBL
283415,CC12C(CO)NC=[NH+]C1C(=O)NC2CCO,0,GDB ChEMBL
289824,CC1CCC2CC(=O)NCC1(O)C(C)([NH3+])C2,0,GDB ChEMBL
185966,CCOCC1(S(N)(=O)=O)C(O)C1C[NH2+]C,0,GDB ChEMBL
306008,C#CC(Cc1cccc(Br)c1Br)OCC,1,GDB ChEMBL
141944,CC1(O)CC2CC(C(N)=O)CC([NH2+]2)C1O,0,GDB ChEMBL
277073,CC([NH3+])C(=O)N1C=C2C(C)CC2(C[NH3+])C1,0,GDB ChEMBL
47189,CCCc1cc(F)cc2c1CC(C)C(C)CC2,1,GDB ChEMBL
275564,C#Cc1cccc(CC)c1NC,1,GDB ChEMBL
348867,CCC(C)OC1CC=C(CO)C1,0,GDB ChEMBL
173117,COc1ncc(CC(=O)CC(C)C(=O)[O-])s1,0,GDB ChEMBL
113579,CCC1c2cccc(NC)c2Cc2ncsc21,1,GDB ChEMBL
152539,CC(O)CCC1(CO)CN1,1,GDB ChEMBL
146032,C#CCCC1CC=Cc2c(F)cccc21,1,GDB ChEMBL
99405,c1cncc(CN2CC2)c1,1,GDB ChEMBL
383301,C[NH2+]C1CC2C=CC1(C)C2O,0,GDB ChEMBL
248204,C=CC1(C(C)C)C(C)C1CCCC,0,GDB ChEMBL
54083,C=CC1=CC=CC(OCCCC)C1,1,GDB ChEMBL
243917,CC(N)=NC(C#N)(C#N)CN(C)C(N)=[NH2+],0,GDB ChEMBL
202808,C#CC(C#N)CC12C[NH2+]C(CO)C(CN1C)C2,0,GDB ChEMBL
161781,CC[NH2+]CCC1Cc2c(O)cc(C)nc2N1,0,GDB ChEMBL
285767,CC(CC(C)(C)C)[NH+]1CC2CC2C1,0,GDB ChEMBL
112084,CC1CN(Cc2c[nH]cc2N)C(=O)NC(=N)O1,1,GDB ChEMBL
20130,CC1CCC2CC3CCC(C3)[NH+]12,0,GDB ChEMBL
95907,CC(O)C(O)C(C)OC1CCCCC1,1,GDB ChEMBL
100990,CCCN(C(=O)S(C)(=O)=O)C1CC1C(=O)[O-],0,GDB ChEMBL
359164,CCCCN=C(N)N1CC(C)=C(C)C1=O,1,GDB ChEMBL
143813,N#CCCCCCc1nccs1,1,GDB ChEMBL
127019,CN(CC(COC(N)=O)=N[O-])C(N)=O,0,GDB ChEMBL
31339,CC1OCC2C[NH2+]C1CCC2OS(N)(=O)=O,0,GDB ChEMBL
345456,CC1OC2C3(O)CCC1C23C(N)=O,0,GDB ChEMBL
194221,CC1(C(CC#N)C(N)=O)CNC(=O)C1=NO,0,GDB ChEMBL
27002,CCC1C[NH+]2CC(O)COC1(C)C(C)C2,0,GDB ChEMBL
209680,C#CC(CO)(CO)NC(=O)CC(C)[NH2+]C,0,GDB ChEMBL
304031,CCC1C(OC(N)=O)C1(C)O,0,GDB ChEMBL
203483,CC1C(CO)[NH2+]CC2CC[NH2+]C1C(O)CO2,0,GDB ChEMBL
340163,CCC1C(=O)[N-]S(=O)(=O)CC1(O)CC(N)=[NH2+],0,GDB ChEMBL
391651,C#CC([NH2+]C)C(C)n1cnc(OC)c1,0,GDB ChEMBL
51851,Cc1[nH]c(C(=O)[O-])c2c1OCC2,0,GDB ChEMBL
160328,CC1CCCC2C3CC([NH3+])CCC(C)(C3)CC12,0,GDB ChEMBL
18649,C#CCC1CC=CC2C[NH+](C)CC2C=C1C,0,GDB ChEMBL
217386,COC(=O)CCC([NH3+])CN,1,GDB ChEMBL
380378,C#Cc1cc(Br)ccc1C1CC2CC1C2,1,GDB ChEMBL
210957,CCc1c[nH]c(=O)c(C[NH3+])c1[N+](=O)[O-],0,GDB ChEMBL
222206,Nc1c(CO)ccc(=O)[nH]c1=O,0,GDB ChEMBL
379160,CCC(=O)C1(C)CCC(C(C)C#N)CC1CC,0,GDB ChEMBL
190374,CCC1OC1(C)CC(C)O,1,GDB ChEMBL
333680,N#CC1OC2OC(=O)C(N)C2C1CCCC[NH3+],0,GDB ChEMBL
260567,CC12COC(C([NH3+])C1O)C2C(=O)[O-],0,GDB ChEMBL
31092,CC(C)c1ncc(C23CCC(CC2)C(=O)C3)s1,0,GDB ChEMBL
193283,CC([NH2+]C1CC(C)(O)C2(C)C([NH3+])C12)C(=O)[O-],0,GDB ChEMBL
278219,[NH3+]CCC12C(O)CC(C(=O)[O-])C1(O)C2[NH3+],0,GDB ChEMBL
240518,CC(O)CC12CCC([NH2+]1)C(C)C2,0,GDB ChEMBL
252592,CCCC1=CC2CC1C[NH+]2C,0,GDB ChEMBL
267920,CN(C)C(=O)CC(CCS(C)(=O)=O)NC=O,1,GDB ChEMBL
378943,CCC1CCC2COCCC3C1C23,0,GDB ChEMBL
212595,CN1CCN(C(C(=O)[O-])C(C=O)C=O)C1=[NH2+],0,GDB ChEMBL
157040,CCCC[NH+]1C(C)C2CCC1(C)CC2,0,GDB ChEMBL
372638,CC1(O)CC(O)C2C3COC(=O)C3N2C1,0,GDB ChEMBL
41156,CNC(NC(=N)CO)=[NH+]CC(=O)[O-],0,GDB ChEMBL
374339,NC(=O)C1(O)C[NH+]2C(C(=O)[O-])CCCC21,0,GDB ChEMBL
26356,C#CC(C1CCCC1CC)C(CC)(CC)OC,0,GDB ChEMBL
68446,NC1=[NH+]C(CS(=O)(=O)NCCO)CCO1,0,GDB ChEMBL
92311,CCOC1C2C[NH2+]CC(C)(O)C1(OC)CC2C,0,GDB ChEMBL
225191,CC1(C)CN=C2CN(CCNC(=O)O2)CC1[NH3+],0,GDB ChEMBL
39797,N#Cc1cc(O)c(N)c(C[NH3+])c1I,0,GDB ChEMBL
351324,Cc1cccc2c(C=O)cc(C(C)C)c(N)c12,1,GDB ChEMBL
172312,CCc1cc(Br)cnc1C1(C)CN1C,0,GDB ChEMBL
274900,CC(C)COCC#CC(C)(C)C,1,GDB ChEMBL
395138,C#CC(CCO)CNC(C)=[NH2+],0,GDB ChEMBL
81612,C#CCC1CC1c1cc(C)[nH]c(=O)c1,1,GDB ChEMBL
277821,C#CC(=O)CC[NH2+]Cc1ccc(N)c(Cl)c1[O-],1,GDB ChEMBL
275490,c1cc2c(cn1)CC1=NCCCN12,1,GDB ChEMBL
36025,CCC1C(C)C2CCC=C(C)CC1(C)C2,0,GDB ChEMBL
349478,COCC([NH+]=C(N)N)C1=C(C)CC([NH3+])C1,0,GDB ChEMBL
108688,O=C([O-])C(CO)COCc1nc[nH]n1,0,GDB ChEMBL
151762,CC1=CC2CC[NH+](C)CC1C2CC(C)C,0,GDB ChEMBL
331136,NS(=O)(=O)OCC1(C(=O)[O-])C[NH2+]C1,1,GDB ChEMBL
266206,CC1(C)CNC(=O)COCC=CC[NH2+]1,0,GDB ChEMBL
375891,CC(=[NH2+])N1CCC=C(C)C1,0,GDB ChEMBL
11679,CC#CC1C(C(C)c2cccnc2)C1(C)C,0,GDB ChEMBL
140802,CCC1C(C)C(CO)NC=[NH+]C1C(C)(C)C[NH3+],0,GDB ChEMBL
20111,CN1C(=N)NC(CO)=NC(CO)C(C)(C)C1=O,0,GDB ChEMBL
255531,C[NH2+]C12CCN(C)C1C(=O)C2CO,0,GDB ChEMBL
395657,CC(C(=O)[O-])C1Cc2c(C[NH3+])c(O)nn21,0,GDB ChEMBL
9726,C[NH2+]C(CC(C)C(N)=[NH2+])C(C)O,0,GDB ChEMBL
31373,CC1=CC(=NO)C(=O)OCC[NH+](CCO)C1,0,GDB ChEMBL
68463,COC(C=O)C1CC=CC1,1,GDB ChEMBL
173987,CC(O)C1OC2CC[NH2+]C1C2N,0,GDB ChEMBL
190831,NC(=[NH2+])NCC1(CC(=O)[O-])C(N)C1(O)C[NH3+],0,GDB ChEMBL
217687,O=C1COC(=O)C2C3C(O)CC1N23,0,GDB ChEMBL
358499,CC1C(CCO)C=CC2=CCC[NH2+]C21,0,GDB ChEMBL
132865,C#CC1CCC(C)[NH+]1CC1CC1(C)[NH3+],0,GDB ChEMBL
390529,CC(C)N1CC(C)(C)C2CC(C1=[NH2+])C(=O)O2,0,GDB ChEMBL
207354,C[NH2+]C1(C)CC(=O)NC2=NCC([NH3+])C21,0,GDB ChEMBL
68448,CN1C(=O)OC2C(OS(N)(=O)=O)CC21,1,GDB ChEMBL
46880,CCOC1(CC)CCc2c(Br)ccc(C)c2C1,1,GDB ChEMBL
340435,CCC1CCC(C=O)CN1C(C)(C#N)C#N,1,GDB ChEMBL
284316,C[NH2+]CC1C=CCCC(C)(C)CN(C)C1=[NH2+],0,GDB ChEMBL
203574,C#CC1CCCCC2CC(CC)C1(C)CC2C,0,GDB ChEMBL
113492,CN1C(=O)C(O)CC1(C[NH3+])C[NH3+],0,GDB ChEMBL
104398,CCC12C(C)OC(=O)N1C2CC(=O)NC,0,GDB ChEMBL
48070,CC[NH+]1CCCC2C(C)C(C)C1C2C,0,GDB ChEMBL
218834,CCCC1CC1[NH2+]CC=C(C)C#N,0,GDB ChEMBL
317345,CC1CC2(C[NH+]1C)C(N)C2O,0,GDB ChEMBL
29497,C#CCC(C)C1CC2C[NH+]1C2,0,GDB ChEMBL
24252,CC(C=O)C(C)C(O)C(=O)NC(=N)NC(N)=[NH2+],0,GDB ChEMBL
11397,CN1CCOC(=O)Oc2ncncc2NC1=O,1,GDB ChEMBL
351370,CCCN(C(=[NH2+])COCC#N)C(CC)CO,0,GDB ChEMBL
281654,CC(=O)C[NH2+]Cc1ccsc1C1CC1O,0,GDB ChEMBL
239151,CC1(C)C2CC3(O)CC=C(COC(=O)C21)C3,0,GDB ChEMBL
181009,CCC1CC=CCCC(C)CC(C)C1,0,GDB ChEMBL
82150,C#CC(CC)C(CC)C(C)CCCC,0,GDB ChEMBL
326446,CNC(=[NH2+])NCCC([NH3+])C#CC(=O)N(C)C,0,GDB ChEMBL
371704,COC(C#N)C(O)CCC[NH3+],0,GDB ChEMBL
112614,CCc1cc(CCC2(C)CC2)ccc1I,1,GDB ChEMBL
120354,C#CC(O)(C(N)=O)C(N)(CC[NH2+]C)C(N)=O,0,GDB ChEMBL
45927,C#CCC1(C)C(OCC)CC(CCOC)C1C,0,GDB ChEMBL
191677,CCCC(C)C(C)c1cc(C)cc(I)c1,1,GDB ChEMBL
124523,NC(=[NH2+])NCC1C(O)C1OS(N)(=O)=O,0,GDB ChEMBL
192555,C#CC(CCC)NC(=[NH2+])N1CC1,0,GDB ChEMBL
148904,CC[NH2+]CCC12C(C[NH2+]C1(C)C(N)=O)N2C,0,GDB ChEMBL
184675,CC1C=CCC2(C)CC1C2c1ccccc1,0,GDB ChEMBL
33875,CCC1C2COC1C(C(C)O)O2,0,GDB ChEMBL
17273,CC1C([NH3+])CN(C)C1C[NH3+],0,GDB ChEMBL
255101,CCC1=CC(=NO)C2(CNC(C)=O)CC1C2,0,GDB ChEMBL
182298,O=C1CCC2C=CC3(CC3)C2N1,0,GDB ChEMBL
386471,CC#CC(CC(N)C(=O)OC(C)=N)C(=O)[O-],0,GDB ChEMBL
76450,CC(O)C1C2CCCCC2C2CC([NH3+])C1C2C,0,GDB ChEMBL
358191,CCCc1nc(C)c2c(F)c(F)cnc2c1C,0,GDB ChEMBL
346504,CC1C2CC([NH2+]CC[NH2+]2)C(C)C1C,0,GDB ChEMBL
368393,CCC(OC)C(C)C1C([NH3+])C1(C)C,0,GDB ChEMBL
48477,CC1CC2CC(OC(C)C)(C1)CC2[NH3+],0,GDB ChEMBL
395599,N=C(N)N(C=O)CC(CC[NH3+])OCC[NH3+],0,GDB ChEMBL
37124,CC#CC([NH2+]C)c1sccc1C,0,GDB ChEMBL
208414,CCC1OC(C[NH3+])C(C)C1C[NH3+],0,GDB ChEMBL
231091,Cc1cnc(O)c2c(occ1C(N)=[NH2+])CCN2,0,GDB ChEMBL
352233,[NH3+]CC1CC(CO)C2CC2C1O,0,GDB ChEMBL
352584,CCC1OC(=O)C(C#N)C(C)C1C,0,GDB ChEMBL
367827,CN1CC1CCCNC=O,1,GDB ChEMBL
174901,CC1CCC(C(C)C)CC(=N)OC(=O)CO1,0,GDB ChEMBL
98533,CNC(=O)C([NH3+])C1C2OC1C1OC12,0,GDB ChEMBL
278876,O=CN1CCNS(=O)(=O)CC(O)C1,1,GDB ChEMBL
296291,CC1NC2C(N)(C[NH3+])C2(N)CNC1=O,0,GDB ChEMBL
181394,CC(N=C1NC(C)C(CNC(N)=[NH2+])O1)C(N)=O,0,GDB ChEMBL
366575,CCC(O)C1CC1C1C2CCCC1C(C)C2,0,GDB ChEMBL
222135,CC(NS(C)(=O)=O)C(C)(O)CO,1,GDB ChEMBL
38934,CNc1c(C)c(C(N)=O)c(COC)c(F)c1O,0,GDB ChEMBL
387315,CCC1C=CC2(CC(N)=O)CC2[NH2+]CC1,0,GDB ChEMBL
284388,C#CCC1CC(CC)CCC1C(C)(C)C,0,GDB ChEMBL
118701,CCCCC(C)C1(C)CCC(N)(C#N)CC1O,0,GDB ChEMBL
87522,CCC1C(C)C(=O)OC2CC21,0,GDB ChEMBL
48092,NC(N)=[NH+]c1cc(F)ccn1,0,GDB ChEMBL
3986,Cc1sc2cc1C(=O)OC(C)(C)CC[NH2+]C2,1,GDB ChEMBL
256190,CCCC(=O)N(C(C)=N)C1=CCC[NH+](C)C1,0,GDB ChEMBL
361635,CC[NH2+]C1(CC2CC2)COCCC1(C)C,0,GDB ChEMBL
225076,Cc1cc2c(c(C)c1F)C(C)C(C)(C)CC2,0,GDB ChEMBL
124517,CC(O)C1[NH2+]C(C(=O)[O-])C2NC21,0,GDB ChEMBL
277391,C[NH2+]C1C=CCCCCC1(C)C,0,GDB ChEMBL
352569,C[NH2+]C1(CO)CC1C(C)O,0,GDB ChEMBL
217039,CCOCC1CC1(CC)C(C)(C)CC(=O)[O-],0,GDB ChEMBL
309628,CC(CC1C2CC[NH2+]CC21)C1CCC1,0,GDB ChEMBL
299184,[NH3+]C12CN(C=O)C(CO)C1C2(O)CC(=O)[O-],0,GDB ChEMBL
134765,CCCCC1C2C=CC(CC2)C2CC12,0,GDB ChEMBL
185944,CCC(=NO)C1CCC(=O)O1,1,GDB ChEMBL
307479,CCCOC1C([NH2+]C)CC1(OC)C(C)O,0,GDB ChEMBL
367657,CC1=CC(C)(C)C=CCC(CCO)C1,1,GDB ChEMBL
112773,CCC1=CC2C(CCC#N)=CC1N2C,0,GDB ChEMBL
109152,N#CC1=C(C(=O)[O-])C(=O)NC1,0,GDB ChEMBL
181392,CCCCC1C(C)[NH+]2C(C)C1(CC)CC2(C)C,0,GDB ChEMBL
156778,C#CCCC(C)C1CCCC1(O)CC(C)(C)[NH3+],0,GDB ChEMBL
161773,CC[NH2+]CC(=O)C1(CC)CNC(C(F)(F)F)C1,0,GDB ChEMBL
303928,CC(C)C1CC(C(CC#N)C(C)(C)C)[NH2+]1,0,GDB ChEMBL
372714,N=C(OCCO)N(C=O)CC(=O)[O-],1,GDB ChEMBL
135823,CC1CC([NH3+])COS(=O)(=O)NCC(=O)O1,0,GDB ChEMBL
141950,Cc1cncc(C2=CC(=N)OCC2)c1,1,GDB ChEMBL
198795,C#CCC(=CC)C(C)C(=O)CCC,0,GDB ChEMBL
245554,CC1CCC=CC12CCC(C)(C)OC2,0,GDB ChEMBL
41593,NC(C[NH3+])C(=O)NC1C(O)C1O,0,GDB ChEMBL
277930,[NH3+]CC1CC(C(=O)[O-])C(O)S(=O)(=O)N1,0,GDB ChEMBL
79528,CC1CC(CS(N)(=O)=O)CC(C#N)(C[NH3+])C1,0,GDB ChEMBL
191344,COCC(C#N)(NCC#N)C(C)(O)C(C)OC,1,GDB ChEMBL
89119,CC(C)(O)c1cc(Cl)ccc1-n1nccc1[O-],0,GDB ChEMBL
62812,CCC1N=C(OCC(N)=O)CCOC1=O,0,GDB ChEMBL
386627,CC(C)C(=O)c1ncn2c(C#N)c(N)ccc12,1,GDB ChEMBL
385350,COCC1C(O)C(C[NH3+])CNC1(C#N)CO,0,GDB ChEMBL
95888,CC(O)CN1C(C)C1(C)C#N,0,GDB ChEMBL
318398,CN1Cc2c(I)nc(N)c(OCC[NH3+])c2C1=O,0,GDB ChEMBL
355176,Cc1nc(C(=O)CO)ncc1C(=O)[O-],1,GDB ChEMBL
68457,CCNc1c(Br)ccc(C)c1C,1,GDB ChEMBL
201445,CC(C)[NH2+]C1CC(C(N)=[NH2+])(C(=O)[O-])NCC1=O,0,GDB ChEMBL
375721,CC[NH2+]C12CCC1C1CC(C)C2CC[NH+]1C,0,GDB ChEMBL
190117,CC1COc2cc(O)nc(I)c2CC1CC#N,0,GDB ChEMBL
174164,C[NH2+]C(C=O)CC1COC(=N)CC(=O)O1,0,GDB ChEMBL
148346,C[NH+](CC1(N)COC1)C1CC1,0,GDB ChEMBL
142947,CC1OC2C([NH+](C)C)C2(C(=O)[O-])CC1[NH3+],0,GDB ChEMBL
112579,CCN1CC2CCC#CCCCCC1=[NH+]C2,0,GDB ChEMBL
104453,CC1C(CC#N)C2C(O)C1C(O)C2C[NH+](C)C,0,GDB ChEMBL
339004,NC(=O)NCC1C=C(CO)C(=O)CO1,0,GDB ChEMBL
20547,CN1CC2C(O)C(O)C3NC3C2C1=O,0,GDB ChEMBL
301400,CC1=CCC(CC2CCCO2)C1,1,GDB ChEMBL
246402,C[NH2+]Cc1c(CO)cnc2c1OCOCC2,0,GDB ChEMBL
27955,CCC1C2CCCC1C1(CC=CC=CC1)C2,0,GDB ChEMBL
144648,CC(C)COCCCC1CCC(C)([NH3+])C1,0,GDB ChEMBL
194394,CC1CC2(O)CC2C(O)C(CO)OC1C,0,GDB ChEMBL
318768,CC(C)C1C2C3CCCC(CC3)C12,1,GDB ChEMBL
352670,CC12OC(=O)CCCC3OC(=O)C1C32,0,GDB ChEMBL
137436,CCCC1CCC(CC(C)C)CC(C)C1,0,GDB ChEMBL
115583,CCC1CC2C(O)C1C(C)[NH+]2C,0,GDB ChEMBL
299215,C#CC1CC(C#C)C2C[NH2+]CCC2C1CCC,0,GDB ChEMBL
120419,CC1C([NH3+])C2NC(CO)C(=O)[N-]S(=O)(=O)C12,0,GDB ChEMBL
20082,CCC1[NH2+]C2C(C)CC1(C)CC(C)C2C,0,GDB ChEMBL
197200,CCC1C(C(=O)[O-])NS(=O)(=O)C(OC)C2CC12,0,GDB ChEMBL
181402,CC(O)COC1C[NH2+]C1CN(C)C(N)=O,0,GDB ChEMBL
104909,CCN1C2CC(C)(O)C(C(=O)[O-])C([NH2+]C)C21,0,GDB ChEMBL
330761,CC1C[NH+]2CC3CCC(C[NH3+])C3(C)C2CN1,0,GDB ChEMBL
152023,CNC(=O)CC1(C)NC1C(N)=[NH2+],0,GDB ChEMBL
47356,CCCC1(CC)CCC(C)(C)C1C(O)C(C)C,0,GDB ChEMBL
50339,CC#CC1OC2(CC2)C([NH3+])C1C(=O)[O-],0,GDB ChEMBL
338830,CC1=CC(C)(Cc2cc(C)ccc2C)CC1,1,GDB ChEMBL
160075,C=CCC1CCOC(OC)C1(C)C,0,GDB ChEMBL
50072,CC1CC2(C)CC(=O)NC3C1C32,0,GDB ChEMBL
320444,CC1CCCC1(C#N)C1CC1C[NH+](C)C,0,GDB ChEMBL
50892,C#CC1(CC)CC(=O)N(CC#N)CC1=O,1,GDB ChEMBL
274372,N=C(NCc1cnccn1)C(N)=O,1,GDB ChEMBL
266219,CCC[NH2+]C(C)(C)C(=CN)C(=O)[O-],0,GDB ChEMBL
330557,N=C1NCC(N)C(NC(N)=[NH2+])C(=O)N1,0,GDB ChEMBL
300243,[NH2+]=C1CCCN1CCC(F)(F)F,0,GDB ChEMBL
190256,N#C[C-](Cc1cc(Cl)c(O)cc1Cl)C(=O)C=O,0,GDB ChEMBL
279274,CNc1c(C)cncc1F,1,GDB ChEMBL
370348,C[NH+](CCO)CC(O)C(C[NH3+])C1(O)COC1,0,GDB ChEMBL
117303,CNC1C(C#N)(NC(C)=O)C1(N)C([NH3+])CO,0,GDB ChEMBL
246432,NC(=O)C1NC(CO)(C(=O)[O-])C2C(O)C12O,0,GDB ChEMBL
317988,CCC(C=C(C)C)[NH2+]C(C)C(C)C,0,GDB ChEMBL
124258,COC1CC[NH2+]CC2CC1C2(C)[NH3+],0,GDB ChEMBL
24532,CC1CC2(CO)C(C)CCC2[NH2+]1,0,GDB ChEMBL
337153,N=C1CN(CCO)C(=O)O1,1,GDB ChEMBL
201666,CCC1C(C)CC(C)C[NH+](C)CC(N)CC1O,0,GDB ChEMBL
228299,CC#CCC1CN(CC)C2(CC[NH2+]C2)CO1,0,GDB ChEMBL
75827,CC#CCS(=O)(=O)[N-]C(=O)CN,0,GDB ChEMBL
204437,CC1CCC23CCCC2[NH+]2CCCC2C3(C)C1,0,GDB ChEMBL
385498,COCCNc1nc(OC(N)=O)cs1,1,GDB ChEMBL
340531,CNC1(C(CO)OC(C)=O)C(O)C1(C)[NH3+],0,GDB ChEMBL
149340,CC(C)COCC(=O)C(C)[NH2+]CC1CC1,0,GDB ChEMBL
354466,CCc1cc2c3c(cn(CC)c3c1)C=CC=C2,1,GDB ChEMBL
45734,CC(C=O)[NH2+]CCCc1cc(N)nc(=N)cn1,0,GDB ChEMBL
39787,N#CC(NC(N)=[NH2+])C(C[NH3+])OCCCO,0,GDB ChEMBL
296317,NC(=O)C12COC(C(C(=O)[O-])N1)C2O,0,GDB ChEMBL
312498,CCS(=O)(=O)NCCCN(C)C=[NH2+],0,GDB ChEMBL
62568,C#CCc1c(C)cc(CC)c2c1CC(C)C2C,1,GDB ChEMBL
279951,CC1[NH2+]C2CN(CC#N)CC1C2(C)CO,0,GDB ChEMBL
374903,C#Cc1c(Br)c(Br)cc(CC)c1CO,1,GDB ChEMBL
374874,C=CCC1C=CC(C)C(C)C1CC,0,GDB ChEMBL
252068,N#CC1OCC(O)C(CC(N)=O)O1,1,GDB ChEMBL
248652,NC(=[NH2+])C([NH+]=C(N)N)C1CC(O)C[NH2+]1,0,GDB ChEMBL
172739,CC(C[NH3+])CC1CC2CCC(C)(C2)C1,0,GDB ChEMBL
344347,CS(N)(=O)=O,1,GDB ChEMBL
258346,CN(C)C(=O)C1Cn2cc(N)cc2N1,0,GDB ChEMBL
97211,N#CC1(C(N)=O)NCC1C[NH3+],0,GDB ChEMBL
339113,Brc1cccc(C2C3C4C=CC(C4)C23)c1,0,GDB ChEMBL
118728,C#CCC(O)(CC(C#C)CC)CC1CCOC1,1,GDB ChEMBL
372581,CC#CCC1CC1(CCCC)C1CCCC1,1,GDB ChEMBL
61876,O=C1CNCC(O)C2CC12,1,GDB ChEMBL
259635,CCC1(NC(=O)OC)C(N)C1(O)C#N,0,GDB ChEMBL
230700,C=CCC1C=CCCC[NH+]1C1CC1,0,GDB ChEMBL
38552,C#CCc1c(F)cc(C#C)cc1CC(F)(F)F,1,GDB ChEMBL
226236,C[NH2+]C(CC[NH3+])C1C(CO)C1(O)C(C)C,0,GDB ChEMBL
163363,C#CC(OC)C1CCC(C)(CC(C)C)O1,0,GDB ChEMBL
1445,CNC1=[NH+]C(C(N)C(=O)OC)C(O)C(CO)N1,0,GDB ChEMBL
120403,NC(=O)CCC1NS(=O)(=O)C2C(CO)NC12,0,GDB ChEMBL
152640,CC(C)CC(=O)NC=N,1,GDB ChEMBL
62580,CCC[NH+]=C(NC(C=O)C(O)CO)C1CN1,0,GDB ChEMBL
393563,COC(C(C)O)C12OC(=O)NC1C2[NH3+],0,GDB ChEMBL
193249,C[NH2+]C1C2NC(=O)C(O)C(C[NH3+])NC21,0,GDB ChEMBL
365783,Cc1ncc2ncc(CCC#N)nn12,0,GDB ChEMBL
42268,CCC(C)C1CC=C(C[NH3+])C1,0,GDB ChEMBL
156091,Cc1c(Cl)ccc2oc(OCC(C)C)c(N)c12,1,GDB ChEMBL
312521,CC(CCCc1c[nH]c(=[NH2+])c(Br)c1)C([NH3+])CO,0,GDB ChEMBL
45992,Cc1cc(N)c(Br)c(Br)c1C[NH3+],1,GDB ChEMBL
85009,CCCC(C)(CC[NH3+])C1CC(C)CN(C)C=[NH+]1,0,GDB ChEMBL
177996,O=C(C[NH+]=C1NCCN1)[N-]C(=O)c1csnn1,0,GDB ChEMBL
332689,NC(=O)OC(C(=O)[O-])C1(C(N)=O)C(O)C1O,0,GDB ChEMBL
181143,CCc1c(C)c(CO)n(CC)c1C(N)=O,1,GDB ChEMBL
383044,CNC(=[NH2+])NCCOCC(C)=O,0,GDB ChEMBL
157712,C[NH2+]C1CC(O)C2C3CCCC3=CC1C2C,0,GDB ChEMBL
228831,[NH3+]C1CC2(CNC(=O)C2)C1CC(O)CO,0,GDB ChEMBL
61870,CCCC1C(C)CC(C)CC2CC2CC1C,0,GDB ChEMBL
179440,Cc1cc(O)cc2c1NC1(CO2)CC(=O)C1,1,GDB ChEMBL
235207,CCC1(CC2=CCCC(C)C2)CCCC1,1,GDB ChEMBL
136559,C#CC(C)[NH2+]CC(N)(CC[NH3+])CC[NH3+],0,GDB ChEMBL
53846,C#CCC1(C)CC1CCOC,0,GDB ChEMBL
190521,CN=C(C)OC1CC(=N)N(C(C)=O)C1,0,GDB ChEMBL
377014,CCCC1(CC)C(C)C(C)(C)CC1(C)O,0,GDB ChEMBL
97126,CCCC1[NH2+]CC(CC)C2CC12,0,GDB ChEMBL
311298,COC1CCC2(C)CC(C)(CCC(C)[NH2+]2)C1C,0,GDB ChEMBL
75427,COC(=N)NC(CNC(N)=O)C(=O)CO,0,GDB ChEMBL
24020,C[NH+]1CC(Cc2cccs2)C2(C)CC2C1,0,GDB ChEMBL
274159,CNC12C(C(N)=O)C(O)CC1([NH3+])C2COC,0,GDB ChEMBL
116617,C#CC1CCC2(C)C(C)CCC2C(C)C1,0,GDB ChEMBL
75005,Cc1nn(C)nc1CN1CCCC1=O,1,GDB ChEMBL
179149,[NH3+]CC1OCC1C1CCCOC(=O)C1,0,GDB ChEMBL
61777,CC1=CCC2(CCOCCC(O)CC2)C1,0,GDB ChEMBL
176447,CC1C(C(=O)[O-])C=C2C(O)C([NH3+])CC21,0,GDB ChEMBL
81778,C[NH+](C)C(C(=O)[O-])C(O)CS(N)(=O)=O,0,GDB ChEMBL
163409,C[NH2+]CCOc1cn[nH]c(=O)n1,1,GDB ChEMBL
191669,C#CCC1(CC[NH3+])CN(CC)C(=O)N1,0,GDB ChEMBL
149382,CN1C(=O)C(CO)(CC#N)C1C=O,0,GDB ChEMBL
61739,C#CC(C#C)C1=CC[NH+](C)CCC(CC)=C1,0,GDB ChEMBL
175563,CC1(O)CC(O)C2(NC(N)=[NH2+])CC12CC[NH3+],0,GDB ChEMBL
186602,CCCCC#CC1(C)NC1C=O,0,GDB ChEMBL
217096,C=CC(N)C1CC(C)C(C=C)[NH+]1C,0,GDB ChEMBL
384235,CCC1OC1C1CC2CCCC(C)(C2)C1,1,GDB ChEMBL
89114,C[NH+]1C2CCC1C1CCC3(C)CC13C2,0,GDB ChEMBL
68467,Nc1ncc(C(CN2CCNC2=O)=N[O-])s1,0,GDB ChEMBL
17616,NC(N)=[NH+]C(CO)C(CO)[NH+]=C(N)N,0,GDB ChEMBL
47218,C#CCNC(=O)CNc1ncnc(O)n1,1,GDB ChEMBL
247484,CCCC12CC[NH+](C)CC(C[NH2+]1)C(O)C2,0,GDB ChEMBL
281852,Cc1nc(C2CN(CC#N)C2)cn1C(C)C,1,GDB ChEMBL
250656,CCCC([NH3+])C1C(C)OC1C,0,GDB ChEMBL
181663,CCC1[NH2+]C1(C)CCCCCC(C)=O,0,GDB ChEMBL
128330,NC(N)=[NH+]C1C(=O)C2CC2C1O,0,GDB ChEMBL
112401,O=CC1=CCC(=O)NCC1O,1,GDB ChEMBL
330561,CC1CCNC2(CC(=O)C(=O)C2)C(=O)N1,0,GDB ChEMBL
380571,C#CC([NH2+]C)C(CN(C)C)NC1CC1C,0,GDB ChEMBL
336078,CC1N=C(C(C)([NH3+])CCO)NC1=O,0,GDB ChEMBL
64324,CC1OC2C[NH2+]C1C(CO)C2C,0,GDB ChEMBL
210435,C[NH2+]C(C)CNC(=N)C1(OC)C(=O)NCC1O,0,GDB ChEMBL
151737,CCOC(=O)c1n[nH]c([O-])c1N1CCC1,0,GDB ChEMBL
347034,COCC1Oc2c(C(C)O)cnn2CC1O,0,GDB ChEMBL
324077,CC1CCC2[NH2+]C1C(C(=O)[O-])C2O,0,GDB ChEMBL
191557,CCC1CC2COCC1C(C)(O)C2[NH2+]C,0,GDB ChEMBL
156026,C#CC(C#C)C1(C)CC(C)CCC(=O)C1CC,0,GDB ChEMBL
208269,CCC(C)(C)C1CCC12CCC[NH+]=C(N)N2,0,GDB ChEMBL
209818,[NH3+]CCCC(O)C12OCC(C1[NH3+])C2[NH3+],0,GDB ChEMBL
147884,CN(C)C1C([NH3+])C1C([NH3+])C(=O)[O-],0,GDB ChEMBL
337160,CC[NH2+]C(COCC)C1C(OC)=NCC1(C)[NH3+],0,GDB ChEMBL
202788,CC1C2OCC23CCC(C3)[NH+]1C,0,GDB ChEMBL
95179,CCCC1C(C)CCC2[NH2+]CC21,0,GDB ChEMBL
255473,CCCC1([NH3+])CC=C(C)C(C)(C(C)CC)C1,0,GDB ChEMBL
137434,O=CN1CC(O)C2[NH2+]CCC2C1,0,GDB ChEMBL
320470,COCC1(CC[NH3+])[NH2+]C2(CCCC2)C1C,0,GDB ChEMBL
353578,N#CC(C[NH3+])C(CC(=O)[O-])S(N)(=O)=O,0,GDB ChEMBL
263864,Cc1cc(C2CCC(C(C)C)CC2)ccc1I,1,GDB ChEMBL
160811,O=C(NCCO)C1=CC2[NH2+]CC(O)C3C1C23,0,GDB ChEMBL
377954,COCC1NC(S(N)(=O)=O)C1C(=O)[O-],0,GDB ChEMBL
194293,CCC(CO)C(=[NH2+])NCCCO,0,GDB ChEMBL
140167,CC1=CC(C)C2CC=CC(C1)C(C)C(=O)O2,0,GDB ChEMBL
122965,CC1CC2C=C(CO)CCCC(C)(C2)[NH+]1C,0,GDB ChEMBL
247504,C=C1CCC[NH2+]CCCC(CC)C1,0,GDB ChEMBL
332405,COCC(CCNS(=O)(=O)C=O)OC(C)C,0,GDB ChEMBL
290549,CCCOC1CC(=O)C(C2CC2)C1,1,GDB ChEMBL
225006,N#Cc1c(O)ncc(F)c1C(=O)NC=N,1,GDB ChEMBL
38884,C[NH2+]CCCC=C(C)CC(C)(C)C,0,GDB ChEMBL
307489,C#CC[NH2+]C1CCC2(O)CC(C)=CCC12,0,GDB ChEMBL
194245,CCc1ccnc(F)c1C(C[NH3+])C[NH3+],0,GDB ChEMBL
351167,CCCC1CCC[NH+]2CC3C(C)C(C3C)C12,0,GDB ChEMBL
169403,CCC1N(C(=O)OC)CC(CO)CS1(=O)=O,0,GDB ChEMBL
119408,CC[NH+]1CC(C2CC(=O)C(O)C2)C1,0,GDB ChEMBL
142500,CCCC(O)COc1cn(C)c(CN(C)C)n1,1,GDB ChEMBL
92866,CC1(C(=O)[O-])C2CC1O2,0,GDB ChEMBL
133986,N#CCC12CC1OC(=O)[N-]C2=O,0,GDB ChEMBL
177156,[NH3+]CC1(CO)CC([NH3+])CC([NH3+])C(C(=O)[O-])C1O,0,GDB ChEMBL
306005,COc1cc[nH]ccc2c(n1)CCC2C(=O)[O-],0,GDB ChEMBL
398719,CCC1CC2CCC1C21C=CC(OC)CC1,0,GDB ChEMBL
34445,CS(=O)(=O)N1CC(O)CC(N)C1=O,1,GDB ChEMBL
238139,C#CC1(C)CCc2cc(C)cc(Cl)c21,1,GDB ChEMBL
182288,N#CC1NCC(=O)OC1C(O)CO,1,GDB ChEMBL
5307,CC1CN2C(C)CCC3[NH2+]CC(O1)C32,0,GDB ChEMBL
385646,CCC1(C#N)C2CC([NH3+])C([NH2+]C)CC21,0,GDB ChEMBL
372105,CCC12CCC([NH2+]C3CC(O)CC1C3)C2OC,0,GDB ChEMBL
140153,CCc1c(Cl)cnc2c1CCN1CC21,1,GDB ChEMBL
221357,NC=[NH+]CC(C(=O)NCC(O)CO)C1CN1,0,GDB ChEMBL
389089,CNc1c(C)cc(N2C(C)C2C[NH3+])cc1F,0,GDB ChEMBL
3837,C#CC(=O)NCCN1CCCC1=O,1,GDB ChEMBL
240441,CCC([NH3+])C(C)(C(=O)[O-])C(=O)NC,0,GDB ChEMBL
170311,Cc1oncc1C(=N)NC1CCCC(=NO)C1,1,GDB ChEMBL
163861,Cc1[nH]c2cc1CC(CO)C(C)(O)CCCC2,0,GDB ChEMBL
119999,COC(C(N)C(O)C[NH3+])C1([NH3+])CC1C(=O)[O-],0,GDB ChEMBL
24039,CC1CCN(C)C(=O)NC(=N)O1,1,GDB ChEMBL
292527,NC(=[NH2+])CC1C(=O)OC1C([NH3+])CO,0,GDB ChEMBL
140830,CC1C2CCC(=O)OC1C1OC21,0,GDB ChEMBL
354441,CCOCC(O)C(CC=O)n1cc(O)c(C)n1,0,GDB ChEMBL
332444,C=CC1(C#N)CC(CO)C(C)CN1,0,GDB ChEMBL
358164,C[NH2+]C1COC(=O)C2CN2C1,0,GDB ChEMBL
204151,C#CCCC(C#C)CCCC(C)C,1,GDB ChEMBL
84255,CN(C=O)CC#N,1,GDB ChEMBL
38744,O=C1C=CC(CO)CS(=O)(=O)[N-]1,0,GDB ChEMBL
246437,CC1COCC(C(C)[NH3+])C1,0,GDB ChEMBL
225374,C#CC1[NH2+]CC(C(=O)[O-])CCC(CO)C1O,0,GDB ChEMBL
398837,CC(C)CC1(C2CCC=CC2C)CCC1,0,GDB ChEMBL
277924,O=C1CCC(=O)OC(OC(=O)C=N[O-])CN1,0,GDB ChEMBL
112095,CCCC[NH2+]Cc1ccc(C(F)(F)F)cc1Cl,0,GDB ChEMBL
299949,CCC1CC(C)(c2ccc(Cl)c(Cl)c2)C1,1,GDB ChEMBL
254961,C#CCC(C)n1cc(C([NH3+])CCO)cc1C,0,GDB ChEMBL
292978,CCC1c2ccc(C)c(F)c2C2C[NH2+]C1C2,0,GDB ChEMBL
191410,CS(=O)(=O)[N-]C(=O)OC1OCC(O)C1C[NH3+],0,GDB ChEMBL
82186,CC1CC2CC3(O1)C(CO)C3[NH+]2C,0,GDB ChEMBL
201074,CCCN1C(=[NH2+])NC2C(=NO)C(O)C21,0,GDB ChEMBL
119246,Cc1cc(C(N)=O)c(C)nc1I,1,GDB ChEMBL
147913,C=C(C)Cc1c(C)ccn1CC[NH3+],0,GDB ChEMBL
61964,Cc1sc(C)c(CCO)c1C,1,GDB ChEMBL
386430,CC1CCC2CC1C([NH3+])C(C)[NH+]2C,0,GDB ChEMBL
355300,CC(C)C1=C(CO)C[NH+](C)CCC1,0,GDB ChEMBL
133344,CC12C([NH3+])C(=O)NCC(=O)OC1C2O,0,GDB ChEMBL
110229,CCCC1(C2C3(C)CCC2(C)CC3)CCCC1,0,GDB ChEMBL
13888,CCC1CC(C)(C)CC2(CCC1C)CC2,0,GDB ChEMBL
311651,O=C([O-])C1=CCOC2CC2C1=O,1,GDB ChEMBL
5352,C[NH2+]C1C2CCC3CC(C2)C1O3,0,GDB ChEMBL
48730,C#CC(=O)NCCS(=O)(=O)N(C)C(N)=O,1,GDB ChEMBL
214769,CC1CC2C3CCCC(C3CC[NH3+])C2(C)[NH+]1C,0,GDB ChEMBL
9941,CCC1C[NH2+]CC[NH2+]CC=CCC1C1CC1,0,GDB ChEMBL
28963,CC[NH+]=C(CO)NCCC(C)CC[NH3+],0,GDB ChEMBL
50950,C[NH2+]CC(C#N)(N1CC1)C(C)(C)CC(C)C,0,GDB ChEMBL
313739,CCOC1CCC2(C)C(C)C1C1CC12,0,GDB ChEMBL
179481,CCOC(C)(C)CCN(C)c1ccc(F)cn1,1,GDB ChEMBL
383823,CC(=O)N(C=O)C1CC[NH2+]C1,0,GDB ChEMBL
323983,CNC(=O)NC(=O)OC1(C)CC(C#N)[N-]C1=O,0,GDB ChEMBL
207691,CCC1(C)C2CCC(C)=CCCC21C,0,GDB ChEMBL
366025,C#CC1(CC(=O)[O-])OC1(CC)CCC#N,0,GDB ChEMBL
309807,CC(=O)CC(O)C(=O)OCc1csnn1,1,GDB ChEMBL
367644,CNC(=O)C1CN(C)C(=O)OC12CCOC2=O,0,GDB ChEMBL
292251,N#CC1(C2(O)CC(N)C([NH3+])C2)CC1,0,GDB ChEMBL
193264,C#CC12COCC1c1cc(F)ccc1C2O,0,GDB ChEMBL
95905,CCC1OC1C(=O)NC1(C)CCC1,1,GDB ChEMBL
148218,NC1=[NH+]CC(O)C2C(C(=O)[O-])C12,0,GDB ChEMBL
70838,CN=C1CC(=O)NCC(OC(C)=O)O1,0,GDB ChEMBL
126942,CCC[NH2+]C1C2C3CCC(C(C)C)(CC3)C12,0,GDB ChEMBL
33343,CCNC(=O)Cc1n[nH]c2c[nH]c(=O)nc12,1,GDB ChEMBL
94691,CCCOCc1sccc1CC(C)[NH3+],0,GDB ChEMBL
355769,CC1(CO)OCC2[NH+]=C(N)NC(C(=O)[O-])C21,0,GDB ChEMBL
284795,C[NH2+]C1C2=CCC([NH3+])C2C1(C)CC(=O)[O-],0,GDB ChEMBL
77846,CCC1(CC(F)(F)F)CC(O)C(C[NH+](C)C)C1,0,GDB ChEMBL
18871,NC(=O)C1CC(O)C(O)C(CO)N1,0,GDB ChEMBL
71457,CC1(O)CC(C#N)N2CC1C2,0,GDB ChEMBL
372478,C[NH2+]CC(N)C(C[NH3+])C(C)NCC[NH3+],0,GDB ChEMBL
42604,Fc1cccc2c1NCc1sncc1C2,1,GDB ChEMBL
298183,CC[NH2+]CC1C=CCC[NH+]2CC=C1CC2C,0,GDB ChEMBL
57268,C[NH2+]C(CC#CCCCC[NH3+])C1(C)CCC1,0,GDB ChEMBL
274953,CCCC1CCCCC12C1C=CC2C2CC21,0,GDB ChEMBL
222575,C#CCc1cc(C)c2c(c1CC)CCC(C)C2,1,GDB ChEMBL
184141,CC1NCC(C)(C#N)N(C(N)=[NH2+])CC1O,0,GDB ChEMBL
157081,CC(=O)NCc1nc[nH]n1,1,GDB ChEMBL
393568,COC1CCC2(CC1)C1CC=CC(C)CC12,0,GDB ChEMBL
354764,CCCOC12CC(C)C(O)C1(C)C2C#N,0,GDB ChEMBL
276181,CC1=CC2C(O)CC(CCC(=O)[O-])C2C1,0,GDB ChEMBL
380333,CCCC(C)C12C[NH2+]CCC=C(C1)C(=O)O2,0,GDB ChEMBL
225167,CCCCCC(C)(C)CC(C#N)C(C)C,1,GDB ChEMBL
124197,N#CCOc1cc(O)nc(O)c1Cl,1,GDB ChEMBL
243767,CC(C)CC1C(O)CC2(CC2)C1(C)C,1,GDB ChEMBL
383778,CC=CC[NH+]=C(N)C1CC[NH2+]C1C,0,GDB ChEMBL
376019,CCN(CC)C(CC(=N[O-])C1CO1)C(N)=[NH2+],0,GDB ChEMBL
289233,CCC(C)C(=O)COC=O,1,GDB ChEMBL
229429,CC([NH3+])C1C[NH2+]CC(O)C(CO)C1,0,GDB ChEMBL
348434,COC1C(=O)c2c(C)n[nH]c2CCC1(C)C,0,GDB ChEMBL
315235,CCC12CC(C3[NH2+]CCC31)C(C(=O)[O-])C2C,0,GDB ChEMBL
151142,COC(CO)C(O)C([NH3+])C1CC1S(N)(=O)=O,0,GDB ChEMBL
9984,COC(=O)COc1nnsc1C(=N)N,0,GDB ChEMBL
21518,C#CC1(O)CC[NH2+]CC1N,0,GDB ChEMBL
106987,OC1CC#CCCCC=CC1,1,GDB ChEMBL
141772,CC1(CCC([NH3+])C2CC2)CC1,0,GDB ChEMBL
318521,CC1CC[NH2+]CCN2C(=O)C(C=N[O-])N=C12,0,GDB ChEMBL
324068,C#CC1(C)[NH2+]CC(CCC)C1N,0,GDB ChEMBL
127208,COc1cc(Cl)c2c(c1)C([NH3+])C1C2N1C,0,GDB ChEMBL
310980,CC1CC1NC(N)=[NH2+],0,GDB ChEMBL
333049,C#CCC1CC(C)(C(CC)CC)CC1C,0,GDB ChEMBL
321426,C#CC(C#C)C1OCC[NH2+]CC(C=O)C1(C)C,0,GDB ChEMBL
280795,O=C1NC2C3C=CC(OC1C3)C2O,0,GDB ChEMBL
186755,Cc1c[nH]c(=O)c2ncc(Cl)cc12,1,GDB ChEMBL
236665,CCC1(CC2CC2)CC=CC1C(C)C,1,GDB ChEMBL
125548,CCCC1CCCC2(C)OC2CC1,0,GDB ChEMBL
228811,C=CCC12CC(CC1O)CC2CC,0,GDB ChEMBL
300459,CC1=Cc2cccc(C)c2C(C)C1C,1,GDB ChEMBL
149306,NC(=O)NCC1CC(CS(=O)(=O)[O-])[NH2+]1,0,GDB ChEMBL
363521,CN(C)C1(C)C(O)C12CCC[NH+]=C(N)N2,0,GDB ChEMBL
303304,Cn1cccc1C(N)C[NH+](C)C,1,GDB ChEMBL
214398,CC1CCCC2(C(=O)[O-])OC2C1,0,GDB ChEMBL
112617,COC(=O)CC([NH3+])C1C2OC(C)(C)C(O)C21,0,GDB ChEMBL
299551,CN1CC(CO)([NH+](C)C)C1C(O)C(N)=O,0,GDB ChEMBL
361151,CC1NC(=O)C(O)C([NH3+])CC1N(C=N)C(N)=O,0,GDB ChEMBL
51092,CNC1(C#N)CNC(=O)C([NH3+])CCC(C)NC1,0,GDB ChEMBL
391487,C=CC(O)C1(C)CC2CC2CC1C,1,GDB ChEMBL
155083,CN(C(=O)C1(O)CC1)c1cnc(O)nc1O,1,GDB ChEMBL
31362,Cc1ccncc1CCCN(C)C(=N)NC=O,1,GDB ChEMBL
302266,CCC#CCC1=CCC(C)C1[NH2+]CC,0,GDB ChEMBL
229434,O=C1CC[NH2+]CCC=CCC12COC2,0,GDB ChEMBL
319842,CCC1CC2C(C)=CC3C(C[NH2+]1)C23,0,GDB ChEMBL
199447,C=C(CC)C1CC1C[NH+](C)C1CC1,0,GDB ChEMBL
187240,C#CC(C)(C)C(O)(CCCCC)CCC(C)C,1,GDB ChEMBL
209703,C#CCC([NH3+])C1CC1C(C)CC(=O)[O-],0,GDB ChEMBL
85058,CCC(=NC(C)C#N)OCC(C)O,1,GDB ChEMBL
29486,COC(=O)C1CN(C)C=[NH+]CC(N)(C[NH3+])C1,0,GDB ChEMBL
358509,C#CC(C)([NH2+]C)C(C)CC(N)=O,0,GDB ChEMBL
119629,C#Cc1cc(N)c2c(c1F)C(O)CCC2,1,GDB ChEMBL
149332,CC#CC1CC(C)(C)C[NH+]1CCCOC,0,GDB ChEMBL
200978,COc1c[nH]cc1C(=O)CO,1,GDB ChEMBL
165221,CN=C1NC(=O)OCC(O)CCC([NH2+]C)C1C,0,GDB ChEMBL
161970,CC(C1C=CCC(O)C=C1)C([NH3+])C(N)=O,0,GDB ChEMBL
368485,CCC12C(C)OCC1([NH3+])C1CCCC[NH2+]C12,0,GDB ChEMBL
358580,CCCCC1CC=CC#CCCC1,1,GDB ChEMBL
307938,CC[NH+]1CCOC(C)(CC(=O)C#N)CC1,0,GDB ChEMBL
55502,O=C([O-])C[NH2+]C12CS(=O)(=O)NC1CC2O,0,GDB ChEMBL
29463,CCC1([NH2+]C)CC(c2c[nH+]ccc2N)C1,0,GDB ChEMBL
292672,COc1ccnc(C2NCC2=O)n1,0,GDB ChEMBL
74343,Cc1cc(Cl)c2c(c1)N=C(CC=O)OC2,1,GDB ChEMBL
254942,C[NH2+]C1CCC(C)N(C)C(CO)C1C(=O)C=O,0,GDB ChEMBL
34895,CC(=O)C(=O)C(=O)Nc1ccon1,1,GDB ChEMBL
328854,[NH3+]CC(=O)N1C2C=CC(O)C1C2C(=O)[O-],0,GDB ChEMBL
77265,COc1nc(C(C)C[NH3+])cn1C,0,GDB ChEMBL
28989,CC1CCC(OC2CC(C)(O)C2)CC1,1,GDB ChEMBL
136148,CCC1COCCC(C)=CC(C)C1C,0,GDB ChEMBL
221709,N#CCN(C=O)C(=N)NCC[NH3+],1,GDB ChEMBL
118496,CCCCCc1c(CC)cc(=[NH2+])cc(C)c1C,0,GDB ChEMBL
21463,CCC[NH2+]CC(O)CC([NH3+])C1CCCC1[NH3+],0,GDB ChEMBL
391437,CCC[NH2+]CC1(C#N)COC(=N)C1,0,GDB ChEMBL
372733,C#CC1(C)c2ncc(F)cc2NCCC1C#N,0,GDB ChEMBL
91209,CNCC(C#N)C(O)(CO)C1C[NH2+]CCC1=O,0,GDB ChEMBL
133012,CCC#CC1C2CCC[NH2+]C(CO)C12,0,GDB ChEMBL
398904,C#CCC1(CC2CC[NH2+]C2)CCCC1,0,GDB ChEMBL
28285,Cc1c(Cl)cc(CC(C)C)c2c1CCC2C,1,GDB ChEMBL
201450,CC(O)Cc1c(N(C)C)c(N)nn1C,1,GDB ChEMBL
24481,C[NH2+]CCN=CN1C=NCCC(O)C1,0,GDB ChEMBL
386625,CC1CC(C)C2(C)CC2NC1=O,1,GDB ChEMBL
308098,CNC1C(=[NH2+])NC1C(CCO)NS(C)(=O)=O,0,GDB ChEMBL
119281,CCC1(C(=O)[O-])C([NH3+])C1C(O)C#N,0,GDB ChEMBL
124837,CCC1(C(N)=O)C2CC[NH+]1C(C)C2,0,GDB ChEMBL
2329,CC(=O)NC(=O)COC(=O)CN,1,GDB ChEMBL
232097,CC1CC2CC2C[NH2+]1,1,GDB ChEMBL
204854,C#CCC1CCC([NH2+]CC)C1(C#C)CCCO,0,GDB ChEMBL
121136,CC(=O)NC(C(C)=O)C12CC(CC1O)C2O,0,GDB ChEMBL
50880,O=C(CO)C1CC12CC[NH2+]CCC2O,0,GDB ChEMBL
77359,NC12C[NH2+]C1C(O)COC(C(=O)[O-])C2,0,GDB ChEMBL
252594,O=C(NC1CC1C1(CO)CN1)C1CC1,0,GDB ChEMBL
101886,CCC1C(=N)OCCNC(=O)C1S(N)(=O)=O,0,GDB ChEMBL
262581,NC1=NC(C(=O)[O-])C(=O)NC1,0,GDB ChEMBL
333104,CCCCC1(C)CC2C[NH+](CCC[NH2+]1)C2,0,GDB ChEMBL
26931,CNC(=[NH2+])N(C)CC(=O)CC(N)=[NH2+],0,GDB ChEMBL
111867,CC(C(N)=O)C1(C)C[NH2+]C1,0,GDB ChEMBL
122732,CC[NH2+]C(CN)C(O)CC(=O)NC,0,GDB ChEMBL
122879,NC1C(=O)OCC[NH+]2CCC12,0,GDB ChEMBL
215427,C#CC1C2CCC1C1(C)CC(C)CC21C,0,GDB ChEMBL
159681,CCC(C)C1CC(CO)C2CN12,0,GDB ChEMBL
396073,COCC(C[NH3+])n1ncc(Cl)c(CO)c1=O,0,GDB ChEMBL
361117,C#CC[NH+](C)C1(C)COC(C)CC1(C)OC,0,GDB ChEMBL
151696,CC1[NH2+]CC(CC#N)C(C(C)C2CC2)C1C,0,GDB ChEMBL
61731,COCC1(C#N)CNC(=O)C=CC1=NO,0,GDB ChEMBL
271326,CCC(C)C1CC(C)C(CC)CC1(C)C,0,GDB ChEMBL
17467,O=C([O-])c1cnsn1,0,GDB ChEMBL
133358,CCC(C)(C)c1cnc(Cl)cc1C(C)OC,1,GDB ChEMBL
391807,CCC(O)C1(C)OC1C(O)COC,1,GDB ChEMBL
317294,C#CC(=C)CC(CC(F)(F)F)[NH2+]C,0,GDB ChEMBL
33315,CCC1CC[NH+](CC)C2C=CCC2C1,0,GDB ChEMBL
311646,COc1cc(CC(C[NH3+])C(C)[NH3+])c(N)[nH+]c1N,0,GDB ChEMBL
146020,C[NH2+]C(C)C12CC1CC(O)C2O,0,GDB ChEMBL
277811,C#CCC1(C)CCC(c2cc(C)cc(I)c2)C1,1,GDB ChEMBL
398858,C[NH+]=C(NCCO)N(C)C(=N)N(C=O)C(C)=O,0,GDB ChEMBL
305834,CCC(C=CNC(C)=O)NC(N)=O,0,GDB ChEMBL
316264,CCCCC1CC(C)CC(C)CC1C,1,GDB ChEMBL
18940,C#CCCC1(C)CC(CC)C2C[NH+]21,0,GDB ChEMBL
340485,CN(CC1([NH3+])CC1(C)O)C1COC1,1,GDB ChEMBL
346871,CN(C(=O)C[NH3+])c1nnn(C)n1,1,GDB ChEMBL
59594,CCCC(=O)C(CC)CCNC(=O)CC(C)C,1,GDB ChEMBL
383976,CC(CO)C1CCCC2CC21,1,GDB ChEMBL
27772,CN1CC([NH3+])C1(CO)C(N)=O,0,GDB ChEMBL
76471,CCC1C=C(C)C2(CC(O)C2)C[NH+]1C(C)C,0,GDB ChEMBL
297248,CCNC=[NH+]C1CCC(C(N)=O)C1=O,0,GDB ChEMBL
383336,CC1(C)C2CC=CCC1[NH2+]C2,0,GDB ChEMBL
225334,Cc1cc(C(C)C)n(C)c1C1CC(C)CC1C,1,GDB ChEMBL
3948,CC1CN1CC1OC(=O)NCC(CO)O1,1,GDB ChEMBL
340563,CCC(C)(CC(C)C)C1CC1C(C)(C)C,0,GDB ChEMBL
101521,CN=C1OCC(C)C[NH+]=C(N)NC(=O)C1(C)C,0,GDB ChEMBL
199036,NC(=O)CC1CCC([NH3+])CO1,0,GDB ChEMBL
53051,CC(C)c1c(C#N)cc(Br)c(C[NH3+])c1N,0,GDB ChEMBL
174695,COCCC1=CC(C)CCC=C1C(C)(C)C,0,GDB ChEMBL
151238,CC1(C)C2CC(O)(CCCO)CC(O)C21,1,GDB ChEMBL
326474,N#CC1=NCC=CC(O)CC(=O)N1CC[NH3+],0,GDB ChEMBL
312513,CC1CN(c2ncc(O)cn2)CC1[NH3+],0,GDB ChEMBL
296342,O=C1[N-]C(c2ncon2)C(=O)N1,0,GDB ChEMBL
3795,CC1=CC(C)C2CC[NH2+]CC12,0,GDB ChEMBL
122820,NS(=O)(=O)CNCCCCCC(=O)[O-],0,GDB ChEMBL
34383,CCOC1CC2(CC([NH3+])C2)C1,0,GDB ChEMBL
116376,COC1CC2([NH3+])CNC(=O)C(C2)O1,0,GDB ChEMBL
341340,[NH3+]CC12N=C(CCCOC1=O)NC2=O,0,GDB ChEMBL
300478,C#Cc1ccc2scc(CCCC(C)C)c2c1,1,GDB ChEMBL
6025,C#CC1CC(C)OC(C)C(C)C[NH2+]C1C,0,GDB ChEMBL
148768,NC(=O)CNC1C2C1(O)C(O)CS2(=O)=O,0,GDB ChEMBL
368430,C[NH+](C)CCC1NC2(C)C=CC1C(O)C2O,0,GDB ChEMBL
362181,CC1CC[NH2+]C(Cn2nnc(N)n2)C1,0,GDB ChEMBL
15542,CN(C)C(=[NH2+])C(C)(C[NH3+])CNS(C)(=O)=O,0,GDB ChEMBL
44621,CC([NH3+])CC1CCC(O)C[NH2+]C1,0,GDB ChEMBL
361008,CCN=C1OC2CC(=NO)CC2N1C(N)=O,0,GDB ChEMBL
339954,C[NH+]=C(N)OC(C)C(=O)CO,0,GDB ChEMBL
116002,CCc1sc(C(C)CC)nc1C,1,GDB ChEMBL
227595,CCCCCCC1(C(C)C)CC1CC,1,GDB ChEMBL
311046,O=C([O-])Cc1nc([O-])n[nH]c1=O,0,GDB ChEMBL
93434,CNC1C(C#N)[N-]C(=O)C(O)C([NH3+])C1C(N)=O,0,GDB ChEMBL
243918,CCC1(COCC#N)[NH+]=C(N)NC1CN(C)C,0,GDB ChEMBL
304292,CCCC1C(C)C(C)C2C=C(C)C1(C)C2,0,GDB ChEMBL
345806,CC(C)CC1OC2C[NH2+]CC21,0,GDB ChEMBL
67339,CCC1[NH2+]CC2(CC1[NH3+])CC2C(C)O,0,GDB ChEMBL
61723,C[NH2+]C1CC2(Cc3c[nH]cc3C2)C1,0,GDB ChEMBL
89089,CC(C[NH3+])c1csc(N)c1,0,GDB ChEMBL
363171,NC(=O)N1CC(O)(C(=O)CO)C1,1,GDB ChEMBL
24737,CC(C(N)=[NH2+])C1CCCO1,0,GDB ChEMBL
259602,NCC(=O)OCC(CC[NH3+])OC=O,0,GDB ChEMBL
299770,C=C1C(C)C(OC)CC[NH2+]C1(C)C,0,GDB ChEMBL
379229,CCC1OC2C3NCC[NH+](C)C1C32,0,GDB ChEMBL
125624,CCCCC1CCC2=CCC(CC)C2CC1,0,GDB ChEMBL
104663,CC(=[NH2+])NC1CCCCC=CCOC1,0,GDB ChEMBL
148239,OC1CC23CC[NH2+]C(C2)C1O3,0,GDB ChEMBL
338570,O=C1NC(=O)C23CC2COC13,0,GDB ChEMBL
289944,CC1NCC(N)(C#N)C(CO)C1O,0,GDB ChEMBL
6035,CC1(C)CNC2CC(CO)N=C2OC1,1,GDB ChEMBL
228823,C[NH2+]C1CC2C(C(CO)CCO)CCC[NH+]2C1,0,GDB ChEMBL
226250,NC(=O)C1NC(=[NH2+])NCC2(O)CC(O)C12,0,GDB ChEMBL
215848,COCC1(O)CC(C)=CC12CCC2,1,GDB ChEMBL
127870,CC1CC(C(C)C)C(C2CC2)[NH2+]1,0,GDB ChEMBL
127744,Brc1cccc2c1CC1C=CC(C2)C1,1,GDB ChEMBL
140832,C=C1COC(=O)NC12CC[NH2+]CC2,0,GDB ChEMBL
22577,C=CC1C2CC3CC(C2)CC1(C)C3,1,GDB ChEMBL
173157,CCCC1C#CC[NH+](C)CCCCC=C1C,0,GDB ChEMBL
375474,C[NH+]1CCC2C=CCCC3(C)CC23C1,0,GDB ChEMBL
12801,N#CC1C(C(=O)[O-])NCC2(C(=O)[O-])OC12,0,GDB ChEMBL
124795,C[NH2+]C12CCC(C3OCC(=O)N(C)C31)C2CO,0,GDB ChEMBL
225027,CS(=O)(=O)NC(CO)C1C([NH3+])C1CO,0,GDB ChEMBL
298976,Cc1ccc2c(n1)OC(C)CNS(=O)(=O)O2,1,GDB ChEMBL
81448,CCn1cc(N)cc(CO)cc(O)[nH]c1=O,0,GDB ChEMBL
34844,COC(Cc1[nH]c(C)c[nH+]1)C(C)(O)CC#N,0,GDB ChEMBL
1996,C[NH2+]CC1=CCOC2CC3CC(C12)C3(C)C,0,GDB ChEMBL
247389,CCCC(C)C1CC=CC1[NH2+]C,0,GDB ChEMBL
47761,CCCCCOc1c(C)ncnc1C(F)(F)F,1,GDB ChEMBL
177347,CCC1CCCC2CC(C[NH3+])C(C)C3C1C23,0,GDB ChEMBL
38581,CCCCCc1cc(Cl)c(CCC)cc1Cl,1,GDB ChEMBL
325737,COC(=O)C1C2CC[NH+](C)C1C(OC)C[NH2+]C2,0,GDB ChEMBL
298052,CCN=C(C)OC1C(C)CCOC1C[NH2+]C,0,GDB ChEMBL
393918,Cn1nc(N)c(CS(N)(=O)=O)c1C#N,0,GDB ChEMBL
149403,C[NH2+]CC1(CO)CCC(C(=O)NC(=N)N)C1,0,GDB ChEMBL
36038,CC1[NH2+]CC2C1C2C([NH3+])C(=O)[O-],0,GDB ChEMBL
141812,N#Cc1csc(N2CCC([NH3+])C2)n1,0,GDB ChEMBL
34948,NC1C(=O)OC2C=CC1([NH3+])C(CCO)C2,0,GDB ChEMBL
92841,N#CC1CC2N=CN(C(=O)C[NH3+])C2C1,0,GDB ChEMBL
171289,CC(=O)OC1CC12OC(C)CC2C,0,GDB ChEMBL
6076,CCC1(C)CCC([NH2+]C)C2CC21,1,GDB ChEMBL
23592,C[NH2+]C(CCc1nocc1N(C)C)CC(C)=O,0,GDB ChEMBL
21897,CC(=O)NCC1[NH2+]CC2C([NH3+])C12N,0,GDB ChEMBL
271623,CCC(C)CC1CC([NH3+])CC2CCC1[NH2+]2,0,GDB ChEMBL
385420,C=CCC(C)C(C)CC(C)C1CC1,0,GDB ChEMBL
285127,N=C1NCC(CO)NC(=O)C1=O,0,GDB ChEMBL
343250,CN1C(=O)CNC2(C(=O)[O-])CC12,0,GDB ChEMBL
288640,CC1C(C)C12CCCC[NH+]1CCC(C1)C2[NH3+],0,GDB ChEMBL
235626,NC1C=CC(C2CC2)OC1=O,1,GDB ChEMBL
289780,CN(C)C(=O)OC1CC2(CO)N=C(N)OC12,0,GDB ChEMBL
40898,NC(=O)C1C2NS(=O)(=O)CC1C1(CO1)C2O,0,GDB ChEMBL
275597,CC1NC(=O)C(N)C(OC(N)=O)C1O,1,GDB ChEMBL
33541,CNC(=O)CCC(=O)C(=O)CO,1,GDB ChEMBL
270039,O=C1NC=NCC1C(F)(F)F,0,GDB ChEMBL
72028,COCCN(C)C1C([NH3+])CC1O,0,GDB ChEMBL
259147,CC1OCC1(CC[NH3+])NC(=O)C[NH3+],0,GDB ChEMBL
255143,O=CCNC(=O)Cn1cnnn1,1,GDB ChEMBL
11019,CCC1OC(C(=O)CO)=NC1C(N)=O,0,GDB ChEMBL
58457,O=C1NC(C(O)C(=O)[O-])C(=O)CO1,0,GDB ChEMBL
148886,NC(=O)C1COC(=NCC=O)N1,1,GDB ChEMBL
201052,CC1CC(O)C2CCCN3C1C23,0,GDB ChEMBL
386534,CCCC1(CO)CC(C2(C)CCCC2)NC1=[NH2+],0,GDB ChEMBL
350664,CC1CCC2C3c4cccc(Cl)c4CC123,0,GDB ChEMBL
303300,CC1=CC(C(N)C#N)CC1C[NH3+],0,GDB ChEMBL
132443,C#CC1C(OCC)C(C)CC1C1(O)CCCC1,0,GDB ChEMBL
314969,CC1C2CCc3c(I)cccc3C1[NH2+]C2,0,GDB ChEMBL
39723,C1CC(CC23CCC(CC2)C[NH2+]3)C1,0,GDB ChEMBL
9991,CC1([NH3+])CC([NH3+])C2OC1OC2C(=O)[O-],0,GDB ChEMBL
156014,CC(O)C(=N[O-])C1C(C(N)=O)[NH2+]C(C)C1O,0,GDB ChEMBL
104913,[NH3+]CCC(O)C1C2C=CC1C(O)C2[NH3+],0,GDB ChEMBL
305566,CN1C(=O)NC2C(CCS(=O)(=O)[O-])C21C,0,GDB ChEMBL
29758,CCCCC1C(C2CCCC2)C(C)CC1(C)C,0,GDB ChEMBL
24714,C#Cc1ccc(F)c(C=CCC)c1,1,GDB ChEMBL
215284,C#CCC(C)(C)C(C)CCC=CC,0,GDB ChEMBL
383975,N#CC1(N)C2NC1C(C(=O)[O-])CC2O,0,GDB ChEMBL
193206,CC(C)C1CCC(O)C2CCC12,1,GDB ChEMBL
334719,Cc1c(CO)ccn1C1CC1,1,GDB ChEMBL
285752,C[NH+]1CCC=C(C2CCCC2)C1,0,GDB ChEMBL
115392,C[NH2+]C1Cc2c(Cl)ccc(C3CC3)c2C1,0,GDB ChEMBL
252841,CC(C)C12CC([NH3+])(CCC1OCCO)C2,0,GDB ChEMBL
215676,CCC[NH+](C)CC(CC)(OC)C(C)C,0,GDB ChEMBL
274363,CCC1([NH3+])CCCC(C)(C)C1,1,GDB ChEMBL
65594,COCCC(COC)COC,1,GDB ChEMBL
363248,C#CC(C#C)CC(C)(C)C1CCC(CC)CC1,1,GDB ChEMBL
363828,C[NH+](CCCO)CC1CN=C(C[NH3+])N1,0,GDB ChEMBL
304139,CCC(=N)N(C)C(=O)COC=O,1,GDB ChEMBL
181595,C[NH+]1CC2CC(C[NH3+])CC21,0,GDB ChEMBL
292546,CC(O)C1NC(=[NH2+])NC(C)(C(C)O)CNC1=O,0,GDB ChEMBL
51404,CC(C)C(C)(C=O)C(C)CCO,0,GDB ChEMBL
144575,COC1C(=O)OC(CO)(C(N)=O)C1N,0,GDB ChEMBL
118345,CCCC(C[NH+]=CNCC(C)C)NC=O,0,GDB ChEMBL
311317,CC1=C2CN3C(=O)N(C)CC3C(=O)N2CC1,0,GDB ChEMBL
320299,CS(=O)(=O)N1C2C(O)C(O)CC21C(N)=O,0,GDB ChEMBL
362018,CC(C1CC1(C#N)CO)N1CC1,1,GDB ChEMBL
266485,[NH3+]C1C2OC(=O)C1(O)CC2OCCO,0,GDB ChEMBL
304601,CC1C(C)C1(C)c1cccs1,0,GDB ChEMBL
129376,CN1C2C=C(NC(N)=[NH2+])C1C([NH3+])(C(=O)[O-])C2,0,GDB ChEMBL
190069,CC1=CCC(C)(C=O)C=CCCCC(C)C1,0,GDB ChEMBL
279116,C#CCCC1CC(C)=CC(CC)([NH+](C)C)C1,0,GDB ChEMBL
64361,C#CC[NH2+]C1CCC(=O)C(C)C1C,0,GDB ChEMBL
360858,CC1CCCC(C)(C=O)C1,1,GDB ChEMBL
277090,CCCOCc1cccc(=[NH2+])c(C(O)CO)c1,0,GDB ChEMBL
45087,CC(C[NH3+])C([NH3+])CC(C#CC[NH3+])C[NH+](C)C,0,GDB ChEMBL
292722,CCC1CN(C)CC(N)=[NH+]1,0,GDB ChEMBL
209844,CC([NH3+])CC(O)CC(C)(C)CC1CCO1,0,GDB ChEMBL
51850,CCC(C)C1C2CCC(C)(C)CC(C)[NH+]21,0,GDB ChEMBL
75021,CCOCCC1(O)CCC(C)C1C[NH2+]CCN,0,GDB ChEMBL
362225,CCC1CC(C)C2(C)C[NH+]1CCO2,0,GDB ChEMBL
274906,CCC([NH3+])C1C=CC2CCCCC1CC2C,0,GDB ChEMBL
186061,CCC1C(C)C[NH+]1C1CC([NH3+])CC1O,0,GDB ChEMBL
119424,CC1CCCCC=CC2C[NH+]1C2C,0,GDB ChEMBL
68615,CC1(O)CNC(=N)C1(OCC(N)=O)C(=O)[O-],0,GDB ChEMBL
147274,Cc1ccc(C)c(C(=O)CC2(C)CC2)c1C,1,GDB ChEMBL
190532,CC1(S(=O)(=O)[O-])C(O)C[NH2+]C1C(=O)[O-],0,GDB ChEMBL
137443,CCC1C=CCC2CC[NH2+]CC12,0,GDB ChEMBL
283394,C#CC=C1C[NH2+]C1CC(C)C(=O)[O-],0,GDB ChEMBL
211145,CC([NH3+])CCC12CC1(C)C(C)N(C)C2=O,0,GDB ChEMBL
129543,COC1C2NC1C(=O)N(S(C)(=O)=O)C2=O,0,GDB ChEMBL
61547,CN(C(=N)C1(CO)NCC([NH3+])CC1O)C(N)=O,0,GDB ChEMBL
77042,CC1=CC=CC2CC(O)CC1C2,0,GDB ChEMBL
358589,NC(=O)C1C2NC(=O)C1N(C(N)=O)C2=O,0,GDB ChEMBL
372727,CC12C=CCCC(C(=O)N1)C2O,0,GDB ChEMBL
222887,CCC(CCCO)C1C(C)C1CC(C)(C)O,0,GDB ChEMBL
260150,N=CN(C(N)=O)C1CCOC1CO,0,GDB ChEMBL
195396,CC1=CCC([NH3+])C(C(F)(F)F)CCC=C1,0,GDB ChEMBL
119622,CC([NH3+])c1c(O)ncc2ncccc12,0,GDB ChEMBL
292338,CC1CC[NH2+]CC12CNCCO2,0,GDB ChEMBL
71426,CCOC(CO)COC=O,1,GDB ChEMBL
23963,CCC1CCC(C2CC=CC2C)[NH+]1C,0,GDB ChEMBL
115878,C#CCC(C)C1C=CCC1(C)CC(C)CC,0,GDB ChEMBL
218546,NC(=O)CC12CCOC1C2S(=O)(=O)CCO,0,GDB ChEMBL
392530,CCCC1OC(=N)C(O)C(O)C1NC(N)=O,0,GDB ChEMBL
386434,CCC1CC(C(C)O)CC1(O)C(F)(F)F,1,GDB ChEMBL
390110,CC(CO)OC(=N)CC([NH3+])C(C)C[NH3+],0,GDB ChEMBL
108142,CCC[NH2+]C1C2CC2CC2C1C2(C)C,0,GDB ChEMBL
259625,CCNc1nc(Cl)c(CO)c(C(C)CC)c1C,1,GDB ChEMBL
321406,CCC(C[NH3+])C1CC2CC1CC2C,0,GDB ChEMBL
85858,CN1C(=N)NCCN2C(CC1=O)CS2(=O)=O,0,GDB ChEMBL
118122,CCN(CC(O)C(C)[NH3+])C(C)=[NH2+],0,GDB ChEMBL
31345,NC(=[NH2+])C1CC2CC2C1NC(=O)C[NH3+],0,GDB ChEMBL
338331,CCC12CCC(O)C3C[NH+](C)C1C32C,0,GDB ChEMBL
149429,C[NH2+]C(CC1(C)CCC(C)C(OC)C1)C(C)C,0,GDB ChEMBL
63106,CC1C2COC1(C)CC(CCCC(F)(F)F)C2,0,GDB ChEMBL
177047,CC(CN(C)C(N)=O)C1CO1,1,GDB ChEMBL
118346,CC1C2C([NH3+])CC1[NH+](C)C2C,0,GDB ChEMBL
99107,CCCOC1CCCCCC(CCC)NC1=O,1,GDB ChEMBL
143185,COCc1ccncc(O)c2cc(c1)NC2=N,0,GDB ChEMBL
148777,CCc1c(F)cc(C(C)C)c(F)c1C(C)CC,1,GDB ChEMBL
234232,CCC12OC(=O)N(C)CC1([NH3+])C2C(O)CO,0,GDB ChEMBL
35343,O=C([O-])C1CCCN1C(=O)Nc1noc([O-])n1,0,GDB ChEMBL
230446,C#CC1(C)NC(=O)C(OC)C2(CO)CCC12,0,GDB ChEMBL
40364,C#CC(C)(CC)Cc1cc(C)c(C)c(C)c1Cl,0,GDB ChEMBL
65596,Cc1ccccc(=[NH2+])c1Cc1ccc(O)cc1,0,GDB ChEMBL
204428,CN(C(=O)C=O)c1ccnc(CCO)n1,1,GDB ChEMBL
22848,Cc1c(C(N)=O)cc(NC(C)C)c(O)c1F,1,GDB ChEMBL
127291,C#CCCC(CC)(C[NH2+]C)C1CC(C)CC1C,0,GDB ChEMBL
380286,C#CC1C[NH2+]C(CC(C)(C[NH3+])OC)C1(C)CC,0,GDB ChEMBL
51041,CC(C)CC1C[NH+]=C(N)C#CC=CC(=O)O1,0,GDB ChEMBL
321814,C#Cc1c(COCC)cc(Cl)cc1OCCC,1,GDB ChEMBL
349958,COC1C2C[NH2+]C21CCO,0,GDB ChEMBL
50360,CC(C#N)C12CCC1NCC(=O)O2,0,GDB ChEMBL
235632,COC(C[NH3+])C1OC1CNS(C)(=O)=O,0,GDB ChEMBL
34303,CCNC(=O)CC(C#N)(CN)N(C=[NH2+])CC,0,GDB ChEMBL
186768,CC1OC2C(=O)NC1C(O)C1OC21,0,GDB ChEMBL
156171,COCCC(O)(COC)CC(C)S(C)(=O)=O,1,GDB ChEMBL
86722,NC(N)=[NH+]C(C[NH3+])CCC1(C(=O)[O-])CC[NH2+]1,0,GDB ChEMBL
239376,CCC1CC(C)C2C(O)C=C(CO1)C2CC,0,GDB ChEMBL
62764,[NH3+]CCC1=CC(=O)OCOC1,0,GDB ChEMBL
367801,COC(=O)C[N-]S(=O)(=O)C1=NCCN1,0,GDB ChEMBL
303368,C#CCN1C2CCCC=C(C)CCC21,0,GDB ChEMBL
133315,CCOCC1(C[NH3+])CC1(CC)CC,1,GDB ChEMBL
210449,CC=CC1CCC[NH2+]CC(C)(C)C1,0,GDB ChEMBL
77367,CCC1=CCCCCCC1(C)C(C)C,1,GDB ChEMBL
118865,CNC(=[NH+]C(C)C)C(CS(C)(=O)=O)C1CO1,0,GDB ChEMBL
31039,CCc1conc1OC(=O)NC,1,GDB ChEMBL
115247,CC(C(=O)[O-])N(C=O)CC1CN1C(N)=[NH2+],0,GDB ChEMBL
337807,C#CC1(C)OC(CC)CN=C1N,0,GDB ChEMBL
215342,C[NH+]=C(N)N(C=[NH2+])CC(C)(N)CCC[NH2+]C,0,GDB ChEMBL
392282,C#CCC1(O)CCC2(C)CC(C1CO)[NH+](C)C2,0,GDB ChEMBL
210235,CCC1CCCCC2CCC2(C)C1,0,GDB ChEMBL
259328,CCC(C)CCC12CCC(CO1)[NH2+]C2CC,0,GDB ChEMBL
398728,CC1(CO)NC(=[NH2+])CCC1CS(N)(=O)=O,0,GDB ChEMBL
320285,C[NH2+]C(C)c1cc(Br)cc2c1NC(C)C2,0,GDB ChEMBL
179338,C[NH2+]CC(O)CC(=O)OC=N,1,GDB ChEMBL
254198,CNC(=O)c1c[nH]c(=O)n1C,1,GDB ChEMBL
17307,CCC1(C)C2C(C)Cc3cccn3C21,0,GDB ChEMBL
160342,CC1C(O)CC(NC(=O)C(=O)[O-])CNC1C#N,0,GDB ChEMBL
81157,CC(=O)OC12CC[NH2+]C(CC1)C2=O,0,GDB ChEMBL
348475,CCCC1C2OC2C([NH+](C)C)C(C)(O)C1C,0,GDB ChEMBL
320736,CCOC(=O)C(=N)N1CC1C#N,1,GDB ChEMBL
377815,O=C1NCC(O)c2c[nH]nc2C1=N[O-],0,GDB ChEMBL
96077,COC12CCC(CC#N)CC(C)C1C2(C)C,0,GDB ChEMBL
17601,CC1=C(CO)C=CC(C(C)C)[NH+](C)C1,0,GDB ChEMBL
48775,[NH3+]C1CC(CO)NC1(CO)C(=O)[O-],0,GDB ChEMBL
201722,N#CCc1nc(C2OC2CC(=O)[O-])cs1,1,GDB ChEMBL
15992,NS(=O)(=O)OC1CC([NH3+])CNC(C[NH3+])C1O,0,GDB ChEMBL
13754,CCC(=O)NC(=N)C1CN1,1,GDB ChEMBL
25267,N=c1[nH]ncc2c(O)nc(C(N)=O)nc12,0,GDB ChEMBL
208320,N#CCc1cnoc1NC(N)=O,1,GDB ChEMBL
117320,CC1C[NH+]=C(N)OCCC(CO)O1,0,GDB ChEMBL
173848,CCC1C=C(C(N)=O)C2(C)C(C)CC[NH+]12,0,GDB ChEMBL
129806,C#CC(C=O)(OC)C(O)CC,1,GDB ChEMBL
81472,COC(=O)C1CC(c2ccc[nH]2)N1,1,GDB ChEMBL
23503,Nc1cc(Cl)c(Cl)c(N)c1NCC1CC1,1,GDB ChEMBL
354114,C1=CC(CC2CC2)CCCCCCC1,1,GDB ChEMBL
244357,CNc1ncc(S(C)(=O)=O)c(N)n1,1,GDB ChEMBL
21877,CNC(C#N)C1C=C(C)C(C)C(O)C1C[NH3+],0,GDB ChEMBL
4998,NC(=[NH2+])NCC1CNS(=O)(=O)CC1O,0,GDB ChEMBL
306363,CCC(O)C1C(S(N)(=O)=O)N1C(N)=O,0,GDB ChEMBL
161779,C[NH2+]CC1(N)CCC(O)CC2C[NH2+]C1C2(C)C,0,GDB ChEMBL
303327,CC#CCC1([NH+](C)CC)CCC1,0,GDB ChEMBL
207661,CC1C2CCC(C2)C(C)C2CCC1C2,0,GDB ChEMBL
174866,N=C1NC(=O)C(N)C2C(=O)OC12CO,0,GDB ChEMBL
334160,N#CCC1C=C(C2CC2)CCC2CC[NH+]1C2,0,GDB ChEMBL
126997,Cc1cc(Cl)c(C)c(C(C)C2CO2)c1,1,GDB ChEMBL
226284,CCS(=O)(=O)NC1CC(N)(C#N)CC1[NH3+],0,GDB ChEMBL
129797,CC1C(N2CCOC2=O)C(CO)S1(=O)=O,0,GDB ChEMBL
271059,CCOC1C(O)C1C(CC=O)C[NH2+]C,0,GDB ChEMBL
362343,C[NH2+]CC1OCCC12C(=N)OC2(C)C(N)=O,0,GDB ChEMBL
163889,CCCCOC12CCC(C(CC)C1[NH3+])C2(C)C,0,GDB ChEMBL
324069,CC1COC(=O)NC(=N)N1C=O,1,GDB ChEMBL
243896,CCCCCC1N=COC1=O,1,GDB ChEMBL
194524,CCCC(CC)(CC)Cc1ccccc1,1,GDB ChEMBL
194458,C#CC1CCC[NH+](C)C(CCCC(C)[NH3+])C1N,0,GDB ChEMBL
76796,C#Cc1cc(Cl)c(=NC(C)C)n(C)c1CCC,1,GDB ChEMBL
101474,Cc1cc2c(cn1)C1(CC1)C(C(C)C)=C2,0,GDB ChEMBL
92902,NC(=[NH2+])CC1COCCCCC(C(=O)[O-])C1[NH3+],0,GDB ChEMBL
312842,CC1CC2(C)CC3CCCC(CCC2C1C)C3,0,GDB ChEMBL
36049,CCC(O)C(C)Nc1[nH]c(=[NH2+])cc[nH+]1,0,GDB ChEMBL
38895,CCC1CCC[NH+](CC(C)C)C1(C)C,0,GDB ChEMBL
307614,CC1COC2CCC1C2[NH+]1CCCC1,0,GDB ChEMBL
204441,CCCC1C2CC3C(O)C2[NH2+]C31,0,GDB ChEMBL
305164,C#CC[NH2+]C(CC)CCC1=CCCCC=C1,0,GDB ChEMBL
140835,C#CC(C)(CO)CC(O)Cc1cnccc1Cl,0,GDB ChEMBL
232051,CC1(C)[NH2+]CC(CO)C1CC=O,0,GDB ChEMBL
151072,COCC(C)C1(O)CC1[NH3+],0,GDB ChEMBL
122917,CCC1C(CO)C2CC([NH3+])C1O2,0,GDB ChEMBL
316475,CC1CC2(C(=O)O1)C(C(N)=O)N(C)C(=O)N2C,0,GDB ChEMBL
37269,CCCC1([NH3+])CC[NH+](C)C(C)C1OCCC[NH3+],0,GDB ChEMBL
120347,Cn1nc(NCC(N)=O)c(C#N)c1N,1,GDB ChEMBL
62107,COC1C2COC1C1CC1NC2=O,0,GDB ChEMBL
107815,CN(C=O)C(CCO)C1(C)CCC1,1,GDB ChEMBL
319204,C#CC1(O)CNC1C(N)=O,1,GDB ChEMBL
255518,COCC1(C(C)C)CC(C)(C)C=C1C,0,GDB ChEMBL
279072,NC(=[NH+]CC(=O)[O-])C(NCC[NH3+])C(O)CC[NH3+],0,GDB ChEMBL
247588,COCCC1(C)COC1CO,0,GDB ChEMBL
390120,N#CC1CC(=O)N2C(=O)NCC2CO1,1,GDB ChEMBL
26876,Cn1ccnc1C1C2CCCC1CC(C)([NH3+])C2,0,GDB ChEMBL
278864,CCN(C)CC(C=O)([NH2+]C)C(C)C,0,GDB ChEMBL
194722,CC12CCCC1C1=CCCCCC2C1,0,GDB ChEMBL
46043,C[NH2+]CCC(=O)Nc1cncnn1,1,GDB ChEMBL
374937,CC12NC(=O)C(C(O)CO)NC1C2[NH3+],0,GDB ChEMBL
244443,CC1[NH2+]C(CC#N)C(NCC#N)C1O,0,GDB ChEMBL
160016,NC(=O)NC1CCOC(=O)NC=NC1,0,GDB ChEMBL
101496,CNC(C[NH3+])C1CC(C(N)=O)N1,0,GDB ChEMBL
186710,C#CC(CCCC(C)C[NH3+])C(CC)CC(C)C,0,GDB ChEMBL
85848,CC1CC1(C(=O)[O-])C(C(N)=O)C(=O)[O-],0,GDB ChEMBL
365690,COC1(C)CCC(C)CC2CC(C)OC2(C)C1,0,GDB ChEMBL
47982,CNC(=O)C1[NH2+]C2CC2C2OC12,0,GDB ChEMBL
173141,CC1(CC2C=CC(O)CCC2)CC([NH3+])C1,0,GDB ChEMBL
160034,CCCOC(C#N)(CO)C(=O)CC1OCCO1,0,GDB ChEMBL
305217,Cc1nc2c(I)ccc(N)c2c2c1CCC2,1,GDB ChEMBL
6061,CC(O)(C[NH3+])C(NC(N)=O)C1CC1,0,GDB ChEMBL
397088,CCC(CC)CCC1CNC2CC2[NH2+]1,0,GDB ChEMBL
288696,CCc1cn(CCO)nc1N(C)C(C)C,1,GDB ChEMBL
310805,COC1CC(O)C2(OCCC2C)C1O,0,GDB ChEMBL
48188,NC(=O)C12CC([NH3+])C(O)C1(C(=O)[O-])C2[NH3+],0,GDB ChEMBL
292511,N#CCNC1CC([NH3+])C(N)C(=O)NC1C(N)=O,0,GDB ChEMBL
255469,CC1(C)CN(C2=NCC(C[NH3+])O2)CC(=O)O1,0,GDB ChEMBL
89709,COc1cc(I)c2c(n1)C(C)CC(=O)O2,0,GDB ChEMBL
89337,[NH2+]=CN(CCCO)C(CO)CO,0,GDB ChEMBL
386496,CCCC1CC2(C)CC1([NH2+]CCO)C2N,0,GDB ChEMBL
112752,C#CC1CCC(C)c2cccc(Br)c2C1C,0,GDB ChEMBL
50274,CC1CC2OC(=O)C1(O)C2(C)CC([NH3+])CO,0,GDB ChEMBL
301523,CS(=O)(=O)NCC1OCC([NH3+])C2NC2C1O,0,GDB ChEMBL
280692,CCOC1C(C[NH3+])OC2C(OC)OC(=O)C12,0,GDB ChEMBL
11249,CCOC1CC(C)C(C(C)C#N)C(O)(C[NH3+])C1,0,GDB ChEMBL
319299,CNc1ccc(N)c(CCN(C=O)C(C)=O)n1,1,GDB ChEMBL
139816,CN(C)CC(=O)NC1(CO)CNC=CC1=O,0,GDB ChEMBL
104389,Cn1cnc(CC(C#N)C=O)n1,1,GDB ChEMBL
29800,CC[NH+]1CCCCC1(C)CC,0,GDB ChEMBL
377800,CCC1(CC(C)C(=O)[O-])NC(=[NH+]C)C1CO,0,GDB ChEMBL
50308,C[NH2+]C1C2C(C)CN3C1CCCC23,0,GDB ChEMBL
68514,CCC(C)(CC(F)(F)F)C(C)CC1CCCC1,0,GDB ChEMBL
289291,CC1(NCC#N)CC[NH2+]C1CS(C)(=O)=O,0,GDB ChEMBL
284773,CC12CCC3(C)C(=O)CC(O)C(C[NH2+]1)C23,0,GDB ChEMBL
130580,CCCC1(C(O)C([NH3+])C(=O)[O-])OC(=N)C1O,0,GDB ChEMBL
197195,CC(C)Cc1cc2c[nH+]c(N)c(Cl)c2[nH]1,0,GDB ChEMBL
3777,CCOCc1cc(CC2CCCC2)ccc1Cl,1,GDB ChEMBL
75414,C[NH+](CC1NCC(=O)C1CCC=O)C(C)(C)C,0,GDB ChEMBL
307520,COCC(O)CC1=CCCC1,1,GDB ChEMBL
112638,CC(C)CCNc1c(N)ccc(I)c1N,1,GDB ChEMBL
358194,Nc1ccc(=O)ccc(O)cc[nH+]c1,0,GDB ChEMBL
20541,CC1=C(C)CC(CO)(C(N)=[NH2+])C1,0,GDB ChEMBL
147940,C#CCCC[NH+]=C(N)N1CC(CC[NH3+])[NH+]=C1N,0,GDB ChEMBL
43943,C#CCC1CC(CCC)C2CC(C)(CC)CC12,0,GDB ChEMBL
2080,Cc1cncc2c1CCC2C,1,GDB ChEMBL
81502,CC[NH2+]CCC1CS(=O)(=O)N1,1,GDB ChEMBL
28190,Cc1cccc(CC(F)(F)F)c1O,1,GDB ChEMBL
177884,CC12CCC(O)C(C1)C1CC2C(C)(C)[NH2+]1,0,GDB ChEMBL
191676,CC[NH2+]C(C)C[NH+]=C(N)CC[NH2+]C,0,GDB ChEMBL
203789,CCC(CC1CC1)[NH+]1CC=CC1,0,GDB ChEMBL
382200,CC1CC(C)(C([NH3+])C(C)(C)O)OC1CC(=O)[O-],0,GDB ChEMBL
200574,CCN1CC2(CCCC[NH2+]2)C1,0,GDB ChEMBL
351139,O=C1CC(O)C2NCCC3CCC[NH+]3C12CO,0,GDB ChEMBL
372130,CCCC12C=CCC(CC(C)(C)[NH2+]1)[NH+](C)C2,0,GDB ChEMBL
75837,CCC(C)(C1C([NH3+])CNC1C[NH3+])[NH+](C)C,0,GDB ChEMBL
6523,CC(CC1CN1CCO)C(C)[NH+](C)C,0,GDB ChEMBL
345493,CS(=O)(=O)c1nn(CCCO)cc1CC#N,1,GDB ChEMBL
378090,CCC1(C(C)=O)CCCC(C)C[NH+]1C(C)C,0,GDB ChEMBL
127504,C=C(C)C1C=C(C(=O)CC)CCC1,1,GDB ChEMBL
223309,CNc1c(N)ncc(Br)c1C(O)(C[NH3+])C(C)C,0,GDB ChEMBL
3005,CCCC1C(C(O)CC)C1(C)C(C)CC,0,GDB ChEMBL
75844,C=C(C)C(CO)C1(C(C)C)COC1,0,GDB ChEMBL
130825,C[NH2+]C1C2CCCN(CCOC)C21,0,GDB ChEMBL
130617,C#CC(C#C)(CCc1ccno1)COC,0,GDB ChEMBL
22608,CC1NC(=O)C(C)C1OCC(C)(C#N)C#N,1,GDB ChEMBL
275475,N#CCc1ncsc1OCC(O)CNC(N)=O,1,GDB ChEMBL
227520,C#CCC1(CCCCCCC)CC[NH2+]1,0,GDB ChEMBL
306276,N#CCc1csc2c1CNCC(=O)NC2CO,0,GDB ChEMBL
324063,COCC1CC2OC(C)C2[NH2+]1,0,GDB ChEMBL
375493,CC1C[NH+](C)CC2=CC=CC(C2)O1,0,GDB ChEMBL
47342,Brc1c2c(cc3c1C1CC(C1)N3)CCO2,0,GDB ChEMBL
200714,CC([NH3+])C1CC(C(N)=O)C(CO)(C(N)=O)O1,0,GDB ChEMBL
17328,C[NH+](CCCC#N)C1C(O)C=CC1(C)C,0,GDB ChEMBL
395178,C#Cc1ccc(NC(=[NH2+])CCCCC)c(C)c1,0,GDB ChEMBL
72014,CC(CCO)CCC12CC[NH+](C)C(C)(CC1)C2,0,GDB ChEMBL
296316,COC(CC(C)[NH3+])C1CC1[NH3+],0,GDB ChEMBL
141751,Cc1c(Cl)c(N)nc(OC(C)C[NH3+])c1CC[NH3+],0,GDB ChEMBL
368444,CCCC(CC)(CC)CCC1CCCCCC1,1,GDB ChEMBL
79246,C[NH+]=C(C)N1CC(N)C(CO)C1,0,GDB ChEMBL
292232,CC(C#N)NCC(C)C(N)=O,1,GDB ChEMBL
85866,C#Cc1c(C)c(C#N)nc2c[nH]c(=O)cc12,1,GDB ChEMBL
110246,CCC(O)C(O)CC([NH3+])CC[NH3+],0,GDB ChEMBL
331145,CC(O)CC1NC1c1ccsc1,0,GDB ChEMBL
330804,O=C([O-])C(CCO)Nc1cn[nH]n1,0,GDB ChEMBL
300185,[NH3+]CCC1C(O)C2C(=O)NC1C2O,0,GDB ChEMBL
381487,[NH2+]=C1NCCCC(C[NH3+])C2(O)CC(C2)N1,0,GDB ChEMBL
217699,COCC12CC1C(=O)N(C(=N)CCO)C2,1,GDB ChEMBL
120687,CC([NH3+])C(O)C1CC(O)C[NH+]1C(C)C,0,GDB ChEMBL
10606,CC[NH+]1CCCCC=C2Cc3ocnc3C21,0,GDB ChEMBL
331199,C=C(CC)C(=O)OCCCCC[NH3+],0,GDB ChEMBL
93753,CC1C2NC(=O)C(S(N)(=O)=O)C1OC2=O,0,GDB ChEMBL
302621,COC1C2C[NH2+]C(CC1(C)C)C2C,0,GDB ChEMBL
236025,CCOC(CC)CC(=O)C(=O)C(C)(CC)CC,1,GDB ChEMBL
284346,COC1(CC(C)O)CCCOC1,1,GDB ChEMBL
305216,CC1(C)OC2(C)CCNC(C1O)C2C#N,0,GDB ChEMBL
208338,CCN=C1OCC2(O)C(=O)NCC2N1CCO,0,GDB ChEMBL
225032,O=C1NCC2(O)C3[NH2+]CCCC1C32,0,GDB ChEMBL
238015,CS(=O)(=O)[N-]c1cncn2ncnc12,0,GDB ChEMBL
95890,CC(=O)OC(C(N)=[NH2+])C(=O)NC(N)=O,0,GDB ChEMBL
116066,COCC1C([NH3+])CC([NH3+])C1CC(C)(C)O,0,GDB ChEMBL
394288,Cc1cc2c(NC(N)=[NH2+])c(C)cn2nn1,0,GDB ChEMBL
276047,C#CCC1C2C(CC)CCCC[NH+]12,0,GDB ChEMBL
48149,C#CC(C#CC)CC(=O)NC,0,GDB ChEMBL
66151,C#Cc1c(C(=O)[O-])[nH]c(C(=O)[O-])c1C[NH3+],0,GDB ChEMBL
192542,C[NH2+]C(CO)COC(=O)c1cnsn1,1,GDB ChEMBL
203458,C[NH2+]CC1CCC2(O)C1CC(CO)C2(C)C#N,0,GDB ChEMBL
73288,C[NH2+]C1CNC(=O)C2(C)COC3C(OC)C132,0,GDB ChEMBL
258262,C#CC(C)Cc1cn2c(C)cc(Cl)cc2c1C,1,GDB ChEMBL
264976,Nc1c[nH]c2c1COCC[NH2+]CC(C(=O)[O-])C2,0,GDB ChEMBL
115405,C[NH2+]C1(C(C)C)C=CC(=O)NCC1,0,GDB ChEMBL
261448,CC1CC(CC=O)CC1CCCC(F)(F)F,0,GDB ChEMBL
277649,CCC(CO)C(=O)N1C=CCNC1=O,1,GDB ChEMBL
386543,C=C1CCN(CCC)C(=O)C2OC12,1,GDB ChEMBL
305841,C#CCC1Cc2c(C)c(CC)c(C)c(Cl)c2C1,1,GDB ChEMBL
230428,N#CC1(C(O)C(N)=O)CCC(=O)C1,0,GDB ChEMBL
227621,CCN1CC#CC2CC(C2)CC(C)([NH3+])C1,0,GDB ChEMBL
287016,CC1(C(O)(C#N)C(=O)[O-])CNC(N)=N1,0,GDB ChEMBL
372681,NCC([NH3+])(CO)CCc1cc[nH]c1,0,GDB ChEMBL
161418,C=Cc1ncc(N(C)CC)cc1Br,1,GDB ChEMBL
115189,CC(C)C[NH2+]C1CCC2(O)C=CCC1C2,0,GDB ChEMBL
210730,CC(C)c1cc(C(C)C)c2cccc(Cl)c2c1,1,GDB ChEMBL
394295,CC1CC(=O)NCC(S(=O)(=O)[O-])O1,0,GDB ChEMBL
392232,C[NH+]=C(N)COc1c(O)ccc(I)c1NC=O,0,GDB ChEMBL
210744,O=C1NC2C3CCC2C1C3CO,0,GDB ChEMBL
279062,CC1CC2CN3C(C)C(=O)OC1C23,0,GDB ChEMBL
77769,CC12CC(C(=O)[O-])(CC1C=O)OC2CO,0,GDB ChEMBL
249598,CCC[NH+](CCC(=O)CC)CCC(C)(C)O,0,GDB ChEMBL
95483,Nc1nc(N)c(S(=O)(=O)[O-])c(O)c1Cl,0,GDB ChEMBL
350925,CC(C[NH3+])C(NC(N)=O)C1COC1(C)C,0,GDB ChEMBL
143172,Cn1c(N)nc2c1NC(CC(=O)[O-])CO2,0,GDB ChEMBL
173854,CC1CC2OC1(C)C([NH3+])C2CO,0,GDB ChEMBL
277118,CCCC1C2CCOC(CC)C12,0,GDB ChEMBL
201480,CC(O)C(O)C([NH+]=C(N)N)C1CCNC(N)=[NH+]1,0,GDB ChEMBL
256129,CCC#CCCCC1(C(C)CCC)CCC1,0,GDB ChEMBL
152569,Cc1ccc(F)c(Cc2csnn2)c1O,1,GDB ChEMBL
390494,CC(O)C1C2C1C(C)[NH+](C)C2C,0,GDB ChEMBL
7416,C=C(C)C1CC(C)C2CC1CC2[NH3+],0,GDB ChEMBL
276298,CCOC1CC=CC1C(O)(CC)CC(N)=[NH2+],0,GDB ChEMBL
17101,COCC1C2CCOC21C(=O)[O-],0,GDB ChEMBL
358134,CN1CC2(CC(=O)[O-])CCC(C)(C1=O)[NH+]2C,0,GDB ChEMBL
104378,COCCN1C2C3CC3C21,0,GDB ChEMBL
177136,CC1(C)C2CC3C[NH+](CCCC31)C2,0,GDB ChEMBL
377343,CCC1C(O)C(C)CC(=O)N1C,0,GDB ChEMBL
50334,COC1OCC(O)C(NC=O)C1C[NH3+],0,GDB ChEMBL
87544,CC12OC1C(O)C1CCCC2C1,1,GDB ChEMBL
345693,CC1COC(C#N)(C(C=O)N(C)C)C(=O)[N-]1,0,GDB ChEMBL
274618,CC1(C)OC(=O)CNC(C2CC2O)C1O,0,GDB ChEMBL
175557,C#Cc1cc(F)c(CC)c(COC(C)(C)C)n1,1,GDB ChEMBL
116414,CCCC1CC(=O)N2C(C)C12,0,GDB ChEMBL
320431,C#CCc1c(C)cccc1CC#CC,1,GDB ChEMBL
252539,C#CCC(CC)(OC)c1cccc(NC)c1Cl,1,GDB ChEMBL
281167,CCC(C)(C)[NH3+],1,GDB ChEMBL
379427,CCC(C)(C)C1CCC[NH+](C2CC2)C1,0,GDB ChEMBL
80333,Cc1cc(C)c(OCC#N)c(Cl)n1,1,GDB ChEMBL
12783,CC([NH3+])C1C(C(N)=O)CC2OC(=O)C1NC2=O,0,GDB ChEMBL
385602,CC#CC1C(C)C1CCCCC,1,GDB ChEMBL
368536,C#CCC(=O)N(C)CC[NH2+]CC,1,GDB ChEMBL
354826,CCC(Cc1cc(C)c(Cl)c(CC[NH3+])c1)[NH2+]C,0,GDB ChEMBL
156729,C#CC(CC)c1cc(CC)c(CCC)cc1Br,1,GDB ChEMBL
188107,Cc1cc(C2CC(C)C3C(C)C23)ccc1Cl,0,GDB ChEMBL
392275,CCC(C)c1cc(C(=O)C2CC2)n(C)c1O,1,GDB ChEMBL
121507,CCC(C[NH+]1CCC1)C(C)[NH3+],0,GDB ChEMBL
275554,CNC(=O)C(=O)N(C=O)C=O,1,GDB ChEMBL
378933,CNC(N)=[NH+]C1C(=O)NC2CC2(C)CC1O,0,GDB ChEMBL
391441,NC(=O)NC=NCCNc1ncncn1,1,GDB ChEMBL
301493,NC(=[NH2+])c1cn(C(C[NH3+])C(N)=O)cn1,0,GDB ChEMBL
179176,CC1C(O)C(=O)C(CC(=O)[O-])CS1(=O)=O,0,GDB ChEMBL
331140,CCOCC1(C#N)C(=O)[N-]CC1O,0,GDB ChEMBL
228471,CC(=O)C1CCC2(CC2)C1,1,GDB ChEMBL
262540,CCC1CCC2CC(C3CCCC3)CC2(C)O1,1,GDB ChEMBL
243365,CCC(O)c1cnn(C2CC2)c1C,1,GDB ChEMBL
27965,NC(=O)NC1CCCN(C(N)=O)C1=O,1,GDB ChEMBL
115218,C[NH+]1CCC(C(CC#N)CCC=O)CC1(C)C,0,GDB ChEMBL
372533,CC1CC2C=CCC(CCCOC2)C1,0,GDB ChEMBL
246374,CC(CNC(=O)C[NH3+])C(C)N(C)C(=O)NC=N,0,GDB ChEMBL
148819,CC1(C#N)NCCC(N)C(=O)OC1=N,0,GDB ChEMBL
116352,CCCCCC(CCC)Nc1ncnc(Cl)n1,1,GDB ChEMBL
362364,C#CC1CCC2(C)CN(C)CC(=O)C2[NH2+]1,0,GDB ChEMBL
97194,CC(N=C1CN=CNC(=O)O1)C(=O)[O-],0,GDB ChEMBL
102173,[NH3+]CC(=O)NCc1cnnnn1,0,GDB ChEMBL
17333,CC1CC2[NH2+]CC3C2C=CCCC13,0,GDB ChEMBL
277642,CCCC12CC=CCC[NH2+]C1C(C)C(C)C2,0,GDB ChEMBL
64115,CCC([NH3+])CCNc1[nH]ncc1C[NH2+]C,0,GDB ChEMBL
170296,CCC1(C(=O)CC(N)=O)C(O)CN2CC21,0,GDB ChEMBL
106627,C[NH2+]C1CCC([NH3+])(CO)C(N)C1O,0,GDB ChEMBL
379127,C#CC1CC[NH+]2C(C1)C1CCCC1(C)C2CC,0,GDB ChEMBL
23467,[NH3+]CC1CCC2(COC2)O1,0,GDB ChEMBL
338821,CC#Cc1c(F)c(C#N)nn2cccc12,1,GDB ChEMBL
359138,CC1(C(N)=O)NCCCOC2CCC[NH2+]C21,0,GDB ChEMBL
396109,C#CC(CC(C)c1cccc(C)c1Br)C(C)C,1,GDB ChEMBL
117457,[O-]c1ccc2nc(O)sc2c1Cl,0,GDB ChEMBL
92336,[NH3+]CC1OC(C(=O)[O-])C2CC([NH3+])C1O2,0,GDB ChEMBL
349621,N#CCc1cc(C(=O)[O-])on1,1,GDB ChEMBL
118489,CC([NH3+])c1c(Cl)ccc2c1OCCC([NH3+])C2C,0,GDB ChEMBL
102172,NC(=[NH2+])C1NC(=[NH2+])OCC1C(=O)[O-],0,GDB ChEMBL
142331,COCC(O)C(CO)COC(N)=O,1,GDB ChEMBL
203231,CCCc1ccoc1CCCO,1,GDB ChEMBL
354425,C=C1CC2(CCC2)CC(CC)C1O,1,GDB ChEMBL
143147,CC#CC1(OC(CC)C[NH2+]CC)COC1,0,GDB ChEMBL
278232,CCN(C(=O)OC)C(=O)C(=O)c1ccn(C)n1,1,GDB ChEMBL
94675,CC#Cc1ccc(I)c(N)c1C[NH2+]C,0,GDB ChEMBL
387327,CC(C)C1Cc2cc(Cl)ccc2NC1=[NH2+],0,GDB ChEMBL
398977,CC(C)c1cc(Br)c(NCC#N)cc1C(C)C,1,GDB ChEMBL
38145,C#CC(O)(CCC(N)=O)C(CC)[NH2+]C,0,GDB ChEMBL
678,N#CC1OCC(O)CC1(C=O)NCC(N)=O,0,GDB ChEMBL
265545,CCCC(=NO)C(C)[NH+](CC)CC#CCCO,0,GDB ChEMBL
307502,O=C1NCCC2OCC3CN3CC2O1,1,GDB ChEMBL
296408,CCC1C2C3CC[NH+](C3)C1C(=O)CC2[NH2+]C,0,GDB ChEMBL
243919,CCCC(C)C(C)(CC)CC1CC(C)C(C)C1,0,GDB ChEMBL
72419,COc1n[nH]c(=O)c(OC(C)=O)c1O,1,GDB ChEMBL
153300,CC[NH2+]C12CC[NH+](CC1)C(C)C2,0,GDB ChEMBL
162897,Cc1cc(C(C)(C)C)cc2c1C1CC1C2,1,GDB ChEMBL
174053,CC(C)C1C2C(C)(C#N)NCCCCC12C,0,GDB ChEMBL
82189,COC(=O)c1cc(CN(C)C)no1,1,GDB ChEMBL
155808,C[NH+]=C(N)Nc1coc2ccccc12,0,GDB ChEMBL
111526,CC#Cc1cc(C(CC)[NH2+]C)c(I)cc1C,0,GDB ChEMBL
181723,O=C1CC(O)C(=O)CC=CCO1,1,GDB ChEMBL
76045,CCCN1CC2(C)CCCC([NH3+])(CC)C1CO2,0,GDB ChEMBL
69630,Cn1c(N)cc(C[NH3+])nc1=O,0,GDB ChEMBL
115061,CCN(C)C1=[NH+]C(C#N)C(C)C1,0,GDB ChEMBL
298210,C#CC(C#N)(OC)c1ccc2c(c1)OCO2,1,GDB ChEMBL
334451,Cc1cc(C([NH3+])C2CCC(C)(C)C2)[nH]c1C,0,GDB ChEMBL
186646,CC(=O)N(C)CCCC(F)(F)F,1,GDB ChEMBL
121943,C#CC1N(CCC)C1(C)C1CCCC(C)C1,0,GDB ChEMBL
135773,CCC(C(O)C1CC1)C(C[NH3+])C(C)(C)C,0,GDB ChEMBL
34955,OCCCCCCNc1cnc(Cl)nn1,1,GDB ChEMBL
337097,CN1CC([NH3+])C2(CC1=O)OCOC2CCO,0,GDB ChEMBL
137085,CNc1nccc(OCC2([NH2+]C)CC2)c1I,1,GDB ChEMBL
369835,CC(O)C(NC(N)=O)C1C(C)C1[NH3+],0,GDB ChEMBL
34317,CNC(=O)CNC(C#N)CNC(N)=[NH2+],0,GDB ChEMBL
153251,CC1C2c3ccc(Br)cc3CC2(C)CC1(C)C,1,GDB ChEMBL
205924,N#CC1C[NH2+]CCC2CNC1CO2,0,GDB ChEMBL
194403,COCC([NH3+])c1cc(Cl)cc(CNC(N)=[NH2+])n1,0,GDB ChEMBL
378887,C#CCCCc1cccc(C(C)CCCC)c1,1,GDB ChEMBL
337804,CCCC1C(CC)C1CC,1,GDB ChEMBL
354155,CCCC1(O)CC(C)(C)C1,1,GDB ChEMBL
108710,C#Cc1ccc2c(c1)C(CC)NS2(=O)=O,0,GDB ChEMBL
76367,CC1([NH3+])COC(CO)C(=O)NC(C[NH3+])C1,0,GDB ChEMBL
275494,COCCC(C)(C)CCC1([NH3+])CCC=C1C,0,GDB ChEMBL
97129,CCCC1=CCCCC(CO)=C1,0,GDB ChEMBL
126930,CC1(O)CC2C=CC1(C([NH3+])CO)C(=O)N2,0,GDB ChEMBL
362382,CC(O)C[NH2+]C1C2CC[NH2+]CC21,0,GDB ChEMBL
127152,Cn1cnc2sc(N)c(OCC(=O)[O-])c(=N)c21,0,GDB ChEMBL
206789,O=C1OC2(C[NH2+]C2)CN1CCO,0,GDB ChEMBL
337968,CC(NC(N)=[NH2+])C(=O)N(CCO)C(=N)C=O,0,GDB ChEMBL
197084,C#CC1(O)C(CCCO)CC[NH2+]C1(C)CCC,0,GDB ChEMBL
341901,CCC(C)OC1(C)C(=O)C2CCC1N(C)C2,0,GDB ChEMBL
230704,COCC12NS(=O)(=O)C3C1NC(=O)C32,0,GDB ChEMBL
110225,COC1CC(CCO)CC1[NH2+]CC(C)(C)O,0,GDB ChEMBL
144544,CC1C2CC(NC(=O)C2=O)C(C=NO)C1O,0,GDB ChEMBL
203252,CCCCCC(=O)C(C)C[NH2+]CC(C)O,0,GDB ChEMBL
200545,CC1OCC(OS(N)(=O)=O)C1C,1,GDB ChEMBL
37332,Nc1cc(O)nc(S(N)(=O)=O)c1Br,1,GDB ChEMBL
252049,C[NH+]1CC2(C=O)CC3CC2CC31,0,GDB ChEMBL
104711,CC1CC2CC3OC3C(C)[NH+]2CCC1C[NH3+],0,GDB ChEMBL
392472,C#CCC1(C(C)C)C[NH2+]C1,0,GDB ChEMBL
190496,CC(O)C1C(C#N)C(OS(N)(=O)=O)CN1C,1,GDB ChEMBL
189767,CC1=CCCCCCCC2CC2C1,1,GDB ChEMBL
50876,CC1C=CC2CC([NH3+])CC1C2O,0,GDB ChEMBL
308258,Fc1cccc2c1N1CC=CC(CC2)C1,1,GDB ChEMBL
258267,Cc1cc(CC2CC(C(C)(C)C)C2)c(C)[nH]1,1,GDB ChEMBL
34390,CC1C=CC2OC(CC[NH3+])CC2C1O,0,GDB ChEMBL
53012,C=CCCC1C(O)C1(CC)C[NH2+]C,0,GDB ChEMBL
212556,CCC(C#N)NCCC1=CC(=N)OCC1,1,GDB ChEMBL
381504,O=c1ccc(F)cn1C1CCC1,1,GDB ChEMBL
365738,COCC1N=C2C([N-]C(=O)N2C(N)=O)C1O,0,GDB ChEMBL
330127,C=C1NC(=O)C(CC[NH2+]C)CS1(=O)=O,0,GDB ChEMBL
184284,CC1(C(=O)CO)CC2=C(CCC2)C1,1,GDB ChEMBL
152496,CCC1CC1N1CC1CCNC(N)=O,0,GDB ChEMBL
190048,CC(C)CC1C(C(=O)[O-])[NH2+]C1C(C)C#N,0,GDB ChEMBL
141846,CCNC1C([NH3+])C(C(=O)[O-])CC1(O)C[NH3+],0,GDB ChEMBL
39777,CS(=O)(=O)CC(F)(F)F,1,GDB ChEMBL
68466,CCC1(C)CC1C1CC[NH2+]C1C1CCCC1,0,GDB ChEMBL
260718,C#CCNC(=[NH2+])N(C)Cc1csc(CCC)n1,0,GDB ChEMBL
334720,CC(=O)OC1C(O)CC1C[NH3+],0,GDB ChEMBL
301480,CCC#CC#CCCCCCC,1,GDB ChEMBL
197459,N#CC1CN(C(=O)C(=O)[O-])S(=O)(=O)C1,0,GDB ChEMBL
371731,CCCOCC(O)CC(O)CC(=O)NC,1,GDB ChEMBL
269194,CCCCC1CC(O)C([NH2+]C)CO1,0,GDB ChEMBL
136728,CC(C)CC(O)C([NH3+])C(CS(=O)(=O)[O-])C1CO1,0,GDB ChEMBL
184098,CC#CC(CCOC)(C[NH2+]C)NC,0,GDB ChEMBL
215726,C#CC1CC(C)C([NH3+])C1OC,1,GDB ChEMBL
190379,COC(C[NH3+])C1COC(C)O1,0,GDB ChEMBL
222861,CCC(O)CC1C(=O)N(C)C1CC[NH3+],0,GDB ChEMBL
59218,CCCC1C([NH3+])C2C[NH2+]CC1C2O,0,GDB ChEMBL
337200,CN=C1OCCN1C(N)=O,1,GDB ChEMBL
94893,Cc1cccc2c1C(CC1(C)CC1)C=C2,1,GDB ChEMBL
337947,[NH3+]CC(=O)NC1CC(O)c2nscc21,0,GDB ChEMBL
132979,C#CC1(C)C[NH+](CCC[NH3+])CCC1OCCC,0,GDB ChEMBL
141840,CC(O)C1OC2CNC1(CO)CC([NH3+])C2,0,GDB ChEMBL
17514,COCC1(C[NH3+])CC([NH3+])C1,0,GDB ChEMBL
114347,CC1C([NH3+])C(O)C(C(=O)[O-])NS1(=O)=O,0,GDB ChEMBL
305807,CC(=NO)C1CC2Nc3ncncc3C2C1,0,GDB ChEMBL
26343,CC(NC1CC1)=[NH+]CCCCO,0,GDB ChEMBL
106605,C#Cc1c(C)cc(N)[nH+]c1C,0,GDB ChEMBL
24249,C[NH+]=C(N)OC1CC1C(C)[NH3+],0,GDB ChEMBL
358118,CC1=CC2CC(COC(=O)C1C[NH3+])C2,0,GDB ChEMBL
348629,CCCC1CCCC2(CCC2C[NH3+])[NH2+]1,0,GDB ChEMBL
317303,CC(=N)OC(=O)N(C)CCO,1,GDB ChEMBL
358162,CC#CCC(CC)C(C)COC,1,GDB ChEMBL
260564,CCc1cccncc(C)c(CC)[nH]1,0,GDB ChEMBL
51380,CC1CC(C)C(C(C)(CC(F)(F)F)C(C)C)C1,0,GDB ChEMBL
24776,C[NH2+]CC([NH+]=C(N)CN)C(=O)[O-],0,GDB ChEMBL
324254,CC[NH2+]C1C(O)C12COC2,0,GDB ChEMBL
79336,CC(C)CC1NS(=O)(=O)OCC(=O)OC1CO,1,GDB ChEMBL
20133,CS(=O)(=O)C1CC2C(=O)NC(C2O)C1O,0,GDB ChEMBL
388245,COCCC1CC(C=O)C1,1,GDB ChEMBL
359162,COC(C)C1[NH2+]C(C2CC2)C(C(C)C)C1C,0,GDB ChEMBL
76837,CCN(C)C(=O)OC(CO)C(=O)[O-],1,GDB ChEMBL
125623,C#CC1COC(=O)C=CC1=O,1,GDB ChEMBL
267368,CCCCCC=CCC(C)C1CC1,1,GDB ChEMBL
341864,CC1=CCC2CN(C(=O)C(F)(F)F)C12,1,GDB ChEMBL
113590,CC1=CC=CCCCCCC1C(C)(C)C,0,GDB ChEMBL
132973,C[NH2+]CC(=O)NC(C)C([NH3+])C(=O)[O-],1,GDB ChEMBL
73304,C#CC1(C2CC[NH2+]C2)OCC1c1cscn1,0,GDB ChEMBL
222796,CC(=O)OCC1CC1(C#N)NCC#N,1,GDB ChEMBL
309685,CC(O)C1CC2CC(C)C(C)(C2)C1(C)C,0,GDB ChEMBL
336066,CC1(C(=O)[O-])NCC(=O)OC12CC2,0,GDB ChEMBL
29682,CN1CC2CNC(=O)C3C(O2)C31,0,GDB ChEMBL
141802,C#Cc1cccc(C)c1CC(C)CC(C)C#C,0,GDB ChEMBL
166416,C#CC1(C)C[NH+](C)CCC(CCCCOC)O1,0,GDB ChEMBL
303316,COc1cnc(C)nc1N(C)C(N)=[NH2+],0,GDB ChEMBL
266434,CC#CC(C(C)CC#N)n1cnc(N)c1,0,GDB ChEMBL
109488,N#CC1(CC[NH3+])C(CCC(N)=[NH2+])N1C(N)=O,0,GDB ChEMBL
338154,COC(=[NH2+])NC(C)C(C[NH3+])(CO)CC#N,0,GDB ChEMBL
17296,NC(=O)C([NH3+])CC(O)C1([NH3+])CC1(O)C(=O)[O-],0,GDB ChEMBL
311326,CC1=C(C(=O)OC(C)C)CN(C)C(=[NH2+])N1C,0,GDB ChEMBL
380382,CCC(O)C(O)CC(N)C#N,1,GDB ChEMBL
205763,CCCC1C2CNC(=O)OC1C[NH2+]2,0,GDB ChEMBL
387086,CCCCCC(N)C(C)(C#N)C([NH3+])CC,0,GDB ChEMBL
391341,CC(N)(C[NH2+]CCO)C1CC=CCO1,0,GDB ChEMBL
70324,CCC1C[NH2+]C(C)C(CO)CCC1CC(C)C,0,GDB ChEMBL
240430,N#C[C-]1C#CCCCNC(=O)C1=O,0,GDB ChEMBL
47352,[NH3+]C1C2CNC(=O)NCC1C2,0,GDB ChEMBL
251868,OCC1CC2[NH2+]CC3CC32C1,0,GDB ChEMBL
354755,C=C(C)C#Cc1ccncc1CC,1,GDB ChEMBL
1923,COc1c(C)cc(N)c(CC2([NH3+])CC2)c1O,0,GDB ChEMBL
238165,CNc1c(C)c(C#N)cc2c(F)cccc12,1,GDB ChEMBL
305468,CC[NH+]1CCC#CC2(CCCC1)CCC2O,0,GDB ChEMBL
47234,N=C1CC=CCCC(O)CNC(=O)N1,1,GDB ChEMBL
318115,Cc1nc(NC(=O)C(=O)[O-])cn1CCOC=O,0,GDB ChEMBL
344389,CCC1C2CCC13CCC[NH+]2C3C,0,GDB ChEMBL
4795,COC1CCN(C2(C[NH3+])COC2)C1,0,GDB ChEMBL
353567,C[NH2+]CC(C1C[NH2+]CCC1C)n1cc(C)cn1,0,GDB ChEMBL
81531,N#CC1COC1=NCc1ccco1,1,GDB ChEMBL
112426,CCC1C2CCc3cc(Cl)c(C)c(c32)C1(C)C,0,GDB ChEMBL
41084,CCC(C#N)NC=NC(CO)CO,0,GDB ChEMBL
380629,COCC[NH+]1CC=CC12CC(O)C2,0,GDB ChEMBL
150532,C#CC(=O)Nc1nccs1,1,GDB ChEMBL
41627,CCC1(N)C([NH2+]C)C(O)C(=O)N2CC21,0,GDB ChEMBL
18899,O=CNCCC1(O)CCOC1=O,1,GDB ChEMBL
256197,[NH3+]CCCC1CN1C(=O)[N-]S(=O)(=O)CC[NH3+],0,GDB ChEMBL
379123,CCS(=O)(=O)c1nscc1NCCO,1,GDB ChEMBL
80504,CCC1CCCC2CCC3CC(C)C(C)(C3)C12,0,GDB ChEMBL
18657,NC(=O)C1(N)C=CC(CCO)NC(=[NH2+])NC1,0,GDB ChEMBL
375491,CC1(O)CCC(CC2CC2C[NH3+])CC1,0,GDB ChEMBL
13753,CN1C2C(CCS1(=O)=O)CC([NH3+])C2O,0,GDB ChEMBL
115942,CC1C(O)C2OC1C21CC([NH3+])C(=O)N1,0,GDB ChEMBL
11427,CC1CC2=CCC1CCCCC=C2,0,GDB ChEMBL
141694,C#Cc1cc(CC(CC)(CC)CC)cnc1C,1,GDB ChEMBL
172773,CC1=CC([NH3+])C2C1OC(CO)C2O,0,GDB ChEMBL
198854,CC1C2C=CC(C2)C(CCC(F)(F)F)C1C,0,GDB ChEMBL
31754,CCCc1c(Cl)cc2[nH]cc(C)c2c1Cl,1,GDB ChEMBL
106598,CCC1COCC2C1C(O)C(C)[NH+]2C,0,GDB ChEMBL
393924,Nc1nc2c(cc1I)CCOC2=O,1,GDB ChEMBL
228289,CCc1c(O)cc(C)c(OC(C)CCO)c1I,1,GDB ChEMBL
361123,COCC1=CC(=O)CC1(C)O,1,GDB ChEMBL
50079,COCC1C2CC(O)C(C2)C1C,1,GDB ChEMBL
391650,C#CCC(CO)C1CCC=C1C,1,GDB ChEMBL
163891,CC(=NO)C(C)(C)C(CCO)NS(C)(=O)=O,0,GDB ChEMBL
142907,C#CC1(COC)CS(=O)(=O)N1C(=O)CC[NH3+],0,GDB ChEMBL
204500,CC1C=C2CCC2C1c1cccc(Br)c1,0,GDB ChEMBL
77051,CCC12CCCC1Cc1cc(Cl)ccc12,0,GDB ChEMBL
112493,COC1C2C[NH2+]C1C1CC2C2C=CCC21C,0,GDB ChEMBL
204820,CNC(=[NH2+])C1(O)CNC(=O)C1,0,GDB ChEMBL
3804,CC1C(O)CC2CC(C#N)[NH+]=C(N)C21,0,GDB ChEMBL
66762,CC1C[NH2+]C2C(O)CCC13OC23,0,GDB ChEMBL
228797,CC1Oc2cc(n[n-]2)C(=O)NC2C[NH2+]C1C2,0,GDB ChEMBL
144545,Cn1cc(O)cc(C2CC2)cnc(N)c1,0,GDB ChEMBL
298223,CC1CCCC1Cc1cc(Cl)c(Cl)c(Cl)c1,1,GDB ChEMBL
304165,CC(N)C1CCC(C)(C)[NH+]1C,0,GDB ChEMBL
77828,O=C1CCN=C(CO)NC(=O)OCC(O)CO1,0,GDB ChEMBL
289389,C#CC1(c2cccc(Br)c2CCC#N)CC1,1,GDB ChEMBL
112510,CC(C(O)CS(N)(=O)=O)C1CNC(=[NH2+])N1,0,GDB ChEMBL
372621,C#CC1C(O)C(CC)C2C(C)=CCC12C,0,GDB ChEMBL
95932,CC1CC2(C[NH2+]CC(=O)[O-])CCN3C1C32,0,GDB ChEMBL
101505,COC1(CO)CC[NH2+]C(C)C1,1,GDB ChEMBL
56666,C#CCC(C)(C)c1cc(F)c(N)cc1C,1,GDB ChEMBL
274873,C[NH2+]C1CC(O)CC2C1c1cccn1C2C,0,GDB ChEMBL
108165,CCCC1(C)CC(C)C(CC)[NH2+]1,0,GDB ChEMBL
275486,C=CCC1C(O)CC2C(C[NH2+]C)N12,0,GDB ChEMBL
259459,CC(O)CC1CCC(C)(C)C1C,1,GDB ChEMBL
285769,C#CCCCC1(OCC)C(=O)CCC=C1C,0,GDB ChEMBL
379868,C#CC12C=Cc3cccc(F)c3CC1O2,0,GDB ChEMBL
307922,CCC(C[NH3+])C1=C(C)CC(C)C1,0,GDB ChEMBL
31800,[NH3+]CC(CO)OCC([NH3+])C(O)C[NH3+],0,GDB ChEMBL
386445,O=C([O-])C(=O)N1CC2CC2C1,1,GDB ChEMBL
379356,C[NH2+]CC12COCCCC(C)C1(C)O2,0,GDB ChEMBL
375727,C#CC(CCOC)C(C)CCC,1,GDB ChEMBL
160825,Cc1cc(F)c2c3c(sc2c1)NCC(C)N3,1,GDB ChEMBL
181728,CCCCc1nc(CC)nn1C,1,GDB ChEMBL
75022,CC1C(O)C2C(C[NH3+])C[NH+]1C2(C)C,0,GDB ChEMBL
379837,CCC(=NO)c1cscc1N(C)CCO,1,GDB ChEMBL
301462,CC(=NCS(=O)(=O)[O-])OCCNC(=O)C[NH3+],0,GDB ChEMBL
358877,CC12C(=O)OC3C(O)C1CCC32,1,GDB ChEMBL
204570,C#CC(C(C)[NH3+])C(C)(C)OC,1,GDB ChEMBL
150155,C#CC(C)[NH+]1CCCOCC2CC21,0,GDB ChEMBL
276300,N#CC(CO)C1=CCC(=O)C1,0,GDB ChEMBL
192601,CC1CC2(C)CCCCC(C1C)C2C#N,0,GDB ChEMBL
62057,CS(=O)(=O)NC1C(O)C1([NH3+])CC(O)CO,0,GDB ChEMBL
70327,C#CC1(C[NH3+])CCc2cc(C)ccc2C1C,0,GDB ChEMBL
22560,C#CC1CC2CCC2(C)C[NH+]1C,0,GDB ChEMBL
255404,CC(C([NH3+])CCO)C(C#N)C[NH+]=CN,0,GDB ChEMBL
225212,[NH3+]C1C2CC(O2)C(CO)CC1C(=O)[O-],0,GDB ChEMBL
330056,NC(=O)N(Cc1nc[nH]n1)CC(O)CO,1,GDB ChEMBL
6092,CNc1nc(N(C)C)nn2cc(N)nc12,1,GDB ChEMBL
114996,CCc1cc(O)cc(F)c1,1,GDB ChEMBL
153218,C[NH+]1CC2(C)C=CCOC(=O)C2C12CC2,0,GDB ChEMBL
322916,CCC(O)C1=CCC(C)C(CO)CCC=C1,0,GDB ChEMBL
157476,CN(C)C1COC(CO)C1(N)C#N,0,GDB ChEMBL
320455,CCC1(C)CC2CCC(O)C1CC2,0,GDB ChEMBL
186008,C[NH2+]C(C)C1CCCC2(C)CC1(C)C[NH2+]2,0,GDB ChEMBL
235666,CCC1(C)C(O)CC2CCC(C)=CC21,0,GDB ChEMBL
339213,C#Cc1ccc(O)c(F)c1CC,1,GDB ChEMBL
239981,NC(=O)NC(=O)C(=O)OC1C(O)CC1O,1,GDB ChEMBL
93151,CC1=CC(C)C2CCCC(C)C1C(C)(C)C2,0,GDB ChEMBL
77287,CCC(C)C1CC1C(C)CC(C)([NH3+])CC,0,GDB ChEMBL
315293,CC1(O)CC(C#N)C(O)C([NH3+])C(O)C1CCO,0,GDB ChEMBL
243766,CC(O)CC(C(N)=[NH2+])C(C)(C)NC(N)=[NH2+],0,GDB ChEMBL
23460,C=C1CCc2cc(C)c(Cl)c(C)c21,1,GDB ChEMBL
132523,CCCCCC1NCC(COCC[NH3+])NC1=O,0,GDB ChEMBL
17509,N#CCNC(=O)C1C(N)C(O)C(O)C1([NH3+])CO,0,GDB ChEMBL
7770,CCCCC([NH3+])(CC)C[NH+]=C(C)NC(C)C,0,GDB ChEMBL
336635,CCC(O)CC1(C)CN1C(C)CC#N,0,GDB ChEMBL
34287,COC1C(O)COC1CC(C)CC(C)C,0,GDB ChEMBL
238168,CC(C)C1[NH2+]C(C)(C)c2cccc3c2C1CC3,0,GDB ChEMBL
351399,CNC(=O)C1CC=CC12C(O)C2C[NH3+],0,GDB ChEMBL
255089,CCCCc1nnn2c(OC)c(O)nc2c1F,0,GDB ChEMBL
110199,CCCC1CC(C(C)[NH3+])CC1(CC)C[NH3+],0,GDB ChEMBL
141866,O=C1CC2C3CC3CN2C1=O,1,GDB ChEMBL
244308,CC1(O)C[NH2+]C2CCCCC(C1)C2[NH+]=C(N)N,0,GDB ChEMBL
85853,Cc1ncc2c(c1O)C1CCCC(O)CC1C2,0,GDB ChEMBL
334681,Cc1cccc2c1C13CCC2C1C3,1,GDB ChEMBL
38749,C[NH+]=C1CCC(CCCO)C(C(C)(C)C)CN1,0,GDB ChEMBL
341889,CCC1=CCCOC(C)CC=CC1,1,GDB ChEMBL
121461,N#Cc1nc(Br)cc(CO)n1,1,GDB ChEMBL
379419,CCC1C(C)CC2CCCCCC21,0,GDB ChEMBL
298258,Cc1cc2c(Cl)c(C#N)ccc2c(C)n1,1,GDB ChEMBL
44681,COC1COC1(C)C(N)=[NH+]CCCO,0,GDB ChEMBL
200753,COCC(C#N)CC1OC(CO)CC1[NH3+],0,GDB ChEMBL
141904,CC(=O)NC(C)COC(N)=O,1,GDB ChEMBL
80461,CCCC12C([NH2+]CC)CC(O)C1C2O,0,GDB ChEMBL
394369,CC1OCC(O)C2CC(C)(O)CCC1C2=O,0,GDB ChEMBL
152516,CC(O)C1OC(C#N)C(C(C)(C)C[NH3+])CC1C,0,GDB ChEMBL
48086,NC(=[NH2+])NCCC1=CCc2ncsc21,0,GDB ChEMBL
47670,COC(N)=NC(C#N)(C#N)C(CO)CO,0,GDB ChEMBL
75408,CC[NH+](C)C1C(N)=NC(C)COC12CC2,0,GDB ChEMBL
362384,C#CC1CC2OC(OCC[NH3+])C(N1)C2C(N)=O,0,GDB ChEMBL
262278,C#CC(C)c1cc(O)cc(F)c1C[NH+](C)C,0,GDB ChEMBL
375122,CC1C2OCC1(c1ccccc1)C1(CC1)O2,0,GDB ChEMBL
104383,C#CC1(CC)CC1(CC)c1ccc(F)cc1,0,GDB ChEMBL
155169,CC=CC1C(C)C2CCCC1(C)C2,0,GDB ChEMBL
10575,CCOCCCC1(C)C[NH+]2CCC1CC2CC,0,GDB ChEMBL
5892,CN1C2CCC3OCC(=O)NC(C32)S1(=O)=O,0,GDB ChEMBL
125622,N#CCC1=CCC(O)C[NH2+]C1,0,GDB ChEMBL
112043,CC1CC([NH3+])C(O)(C(=O)[O-])C[NH+]=C(N)O1,0,GDB ChEMBL
59167,N=C(CNS(=O)(=O)CCO)NC(=O)CO,1,GDB ChEMBL
17077,C#CC1(CCC)CCC([NH3+])CC(C)C1O,0,GDB ChEMBL
341308,CC1CC(C)C(CO)C(O)C1,1,GDB ChEMBL
358876,CC1C[NH2+]CC(C)(CO)OC1C,1,GDB ChEMBL
165206,Cc1cc2c(cc1Br)CN(C)C2C[NH3+],1,GDB ChEMBL
9684,CC1=CCC=CC=CCC1CCCO,0,GDB ChEMBL
277903,CC[NH+]1CC(C=O)N2CCCCOCC2(C)C1,0,GDB ChEMBL
320480,CCC1(O)COCC(=N)N(CC[NH3+])C1=O,0,GDB ChEMBL
375538,C#CC(CCCCC)CCC12CCC(CC1)C2,1,GDB ChEMBL
140348,Cc1n[nH]c([O-])c1C(=O)N1CC(C=O)NC1=N,0,GDB ChEMBL
188109,COC(=O)C1(C(C)(C)C)COC2CC[NH2+]CC21,0,GDB ChEMBL
236632,NC1=[NH+]C2(C(=O)[O-])CS(=O)(=O)NC2C1,0,GDB ChEMBL
338303,CCc1c(N)c(Cl)c(Cl)c2c1NC(C)COC2,1,GDB ChEMBL
188530,N#Cc1cc(=O)nc(COC(=O)CC[NH3+])[n-]1,0,GDB ChEMBL
27970,CCC1C[NH+]1C(C)C1CC=CCCCC1C,0,GDB ChEMBL
23655,CN1CC(=O)C(C(O)C#CCO)C1,1,GDB ChEMBL
312823,COC(C)c1c(O)ncn1CCO,0,GDB ChEMBL
217050,C#CCOC(=O)C(CC)CC,1,GDB ChEMBL
284847,C[NH2+]CC(C[NH3+])OC(C)C1(C)CC(C[NH3+])C1,0,GDB ChEMBL
184697,O=C([O-])CC1C2CN2C(=O)[N-]S1(=O)=O,0,GDB ChEMBL
182287,CN1CC(O)CC(=O)OCS1(=O)=O,1,GDB ChEMBL
316445,CCC(C[NH3+])CC1C2CCCC1C2(C)C,0,GDB ChEMBL
254888,NC(=O)C1([NH3+])C(CC(=O)[O-])C1(CO)CCO,0,GDB ChEMBL
243340,Cc1nocc1C(=O)C(=O)CO,1,GDB ChEMBL
132555,CCCC(C#N)CC1=CC(CO)C(C)(C)C1,0,GDB ChEMBL
398832,C#CC1=NCC(C[NH3+])C([NH2+]C)COC(=O)N1C,0,GDB ChEMBL
370309,CC1CC2C3OC3C(CC2[NH+](C)C)[NH2+]1,0,GDB ChEMBL
109164,[NH3+]C1C23NC(=O)CC12C(C(=O)[O-])NC3=O,0,GDB ChEMBL
240816,COC1C(C[NH3+])OCC(CO)C1O,0,GDB ChEMBL
315277,C#CC(CC)C1CCc2c(C)nc(OC)n21,0,GDB ChEMBL
156207,Cc1cc(Cl)c2c(c1C)C(C)CC2CC(C)C,0,GDB ChEMBL
36167,CC1CCCCC2=CCC(C)(O)C21,0,GDB ChEMBL
376952,CCC(CC#N)(C(C)O)C(F)(F)F,1,GDB ChEMBL
174912,CC#CCC(OCC(=N)OC(C)=O)C(C)C,1,GDB ChEMBL
284327,CCNc1c([O-])coc1NC(N)=O,0,GDB ChEMBL
188071,C[NH+]1CCC(C)(C)C2(C=CC=C2)C1,0,GDB ChEMBL
190382,CC(CO)NS(=O)(=O)OCCCO,0,GDB ChEMBL
76836,C[NH2+]CC(C)CC(NCCN)=[NH+]CC(N)C[NH3+],0,GDB ChEMBL
284862,C#CCC(CO)C1CC1CCC(C)C,0,GDB ChEMBL
265508,C#CC1C(=O)N(C)CC2C(C[NH3+])OC1C2O,0,GDB ChEMBL
44370,CC(=O)C(O)C(O)C1CC1,1,GDB ChEMBL
176408,O=C1OCC2CC1CC2O,1,GDB ChEMBL
372791,C#Cc1ccc2cc(N)cn2c1,1,GDB ChEMBL
9975,O=C([O-])C1C(CO)C[NH2+]C2C(O)C21,0,GDB ChEMBL
148392,CC1(C)CC(C(=O)[O-])C(CCO)C1([NH3+])C[NH3+],0,GDB ChEMBL
296025,C#CC1(C(C)C)CC(O)CCC1(C)CCC,0,GDB ChEMBL
330067,C[NH2+]C(C(N)=O)C1(O)C=CCC1C(=O)[O-],0,GDB ChEMBL
251031,CC(=NCC(O)C(=O)[O-])NC(=O)N1CC1,0,GDB ChEMBL
358895,CCCCC1CC=C(C)CCC2C(C)C2C1,0,GDB ChEMBL
240363,COC1Cn2nc(OCCO)c(N)c2C1=O,0,GDB ChEMBL
95592,CCC1(CO)C=CC[NH2+]CCN1C=O,0,GDB ChEMBL
173982,CC1(C)CC2CC3(O)CC1[NH+]2C3,0,GDB ChEMBL
280483,CCCC[NH+](C)CCC1(C)CCC(C)(C)CC1,0,GDB ChEMBL
34800,Nc1cc2cc(c1Cl)CCCC=CC#C2,1,GDB ChEMBL
304293,CC1([NH3+])C(CS(N)(=O)=O)C2NCCOC(=O)C21,0,GDB ChEMBL
93742,Ic1ccccc1CC#CCC1CCCC1,1,GDB ChEMBL
212535,CC1=CC2(C)CC(O)CC(C)CC(C1)O2,0,GDB ChEMBL
136049,CC12NC(N)=[NH+]CC3C(C(=O)[O-])[NH2+]C1C32,0,GDB ChEMBL
331716,CCC(C1CC=CCCC1)C1CC[NH2+]1,0,GDB ChEMBL
290565,C#CC1C=CC(COC)N(C(=O)CO)CC1,0,GDB ChEMBL
179483,CC1=CCCC2CCOC(C)(C1)C2O,0,GDB ChEMBL
160999,Cc1[nH]nnc1NC(=O)C[NH2+]CCO,1,GDB ChEMBL
375505,CNc1nc(F)cc2c1CC(C)C2=NO,1,GDB ChEMBL
246996,CC(C)C1(C(=O)[O-])COCC(=NO)C1,0,GDB ChEMBL
359056,C#CCC1C(C)=CC[NH2+]CCC1(C)C,0,GDB ChEMBL
333659,CCCC(C)C1C2CCCC21C[NH+](C)C,0,GDB ChEMBL
236712,CCC1=CC(CCCC(C)CC)C(C)(C)C1,0,GDB ChEMBL
260588,C#CCC(CCCC#CCCOC)C(N)=O,1,GDB ChEMBL
358485,CC1CC2(O)COC1C(=O)C2,0,GDB ChEMBL
148787,N#CC1C2CCCC1OCO2,1,GDB ChEMBL
98513,C#CC1CCC(CC)(CCC)[NH2+]1,0,GDB ChEMBL
22862,CCC([NH3+])C(CCCC(=O)[O-])NC(=[NH2+])OC,0,GDB ChEMBL
19671,CCC1C(C(C)O)C(=O)C2(C)C([NH2+]C)C12,0,GDB ChEMBL
398196,CC1C2CCN3C(C(=O)N2)C13,0,GDB ChEMBL
157394,CC#CC(CCCC)C(O)C(C)C(C)C,0,GDB ChEMBL
308110,C[NH2+]CCC1COCCC(=O)NC=NCC1[NH3+],0,GDB ChEMBL
75472,CC(CC[NH3+])c1noc(C(=O)[O-])n1,0,GDB ChEMBL
115930,C[NH2+]CC1CC=CCC2(CC1)CC2,0,GDB ChEMBL
70972,CC(C)NC(=O)Oc1cc(I)c(C#N)cn1,1,GDB ChEMBL
31396,C#Cc1cc(I)cc(NC)n1,1,GDB ChEMBL
64047,COC1C(=O)NC2C(NC(N)=[NH2+])C12,0,GDB ChEMBL
334789,COC(C)CC12CCC(C)(C)C1[NH+](C)C2,0,GDB ChEMBL
9716,CC(C)CC1NC2C(C#N)OC(=O)C2C1C[NH3+],0,GDB ChEMBL
301151,CCC(C)C1(C)CCCC2CC2C1O,0,GDB ChEMBL
174830,CC#Cc1nnn(CC(=O)[O-])n1,1,GDB ChEMBL
131659,C#CCCC#CC(CCC)C(C)(C)C,1,GDB ChEMBL
62820,CCC1(O)C(CO)CCNC1C#N,0,GDB ChEMBL
116025,CCN1C(=O)C(C#CCO)N=C1C,0,GDB ChEMBL
289950,CCC(C)C1C2CCCC1CCC2,1,GDB ChEMBL
194741,O=C1CC2NC(CCO)C2O1,0,GDB ChEMBL
116654,CC#CC(C)[NH2+]CCC1COC2CC12,0,GDB ChEMBL
277812,CC1CC2C3CC(O)C2C(C[NH2+]1)C3,0,GDB ChEMBL
7414,COCCC(C)(CC(C)C)N1CC=CC1=[NH2+],0,GDB ChEMBL
71286,CNC(=[NH2+])NCCS(=O)(=O)N(C)CC(=O)[O-],1,GDB ChEMBL
197074,N#CC1(N)C2C([NH3+])CNC(=O)OC21C(N)=O,0,GDB ChEMBL
66735,C#CC1[NH2+]CCOC1CC,0,GDB ChEMBL
362383,O=C1NC2C[NH2+]C3CCC2C13,0,GDB ChEMBL
190525,O=CC(C=O)CCOC(=O)N1CC1,1,GDB ChEMBL
65566,C#CC1(c2c(Cl)cc(CC)cc2Cl)CC1,1,GDB ChEMBL
285753,CCCC1(C(N)=O)CCCC1,1,GDB ChEMBL
35440,NC(=O)C12NC3COC1C2OC3,0,GDB ChEMBL
214743,C#CCC(CC)CC(C)C1(C)CCC1,0,GDB ChEMBL
331492,C[NH2+]C(C)C1NC(=O)CC12CC2,0,GDB ChEMBL
130888,C#CC(C(C)C)C(C)[NH+](C)C(CC)CN(C)C,0,GDB ChEMBL
140155,CC1NC(=O)C2OCC12CO,0,GDB ChEMBL
142952,C#CC1(O)CN(C)CC(=O)NCCC1=NO,0,GDB ChEMBL
227939,C[NH+]1CCCC2NC2CC1,0,GDB ChEMBL
190352,CC1CC2(C)CCC(OC2)C2CCCOCC12,0,GDB ChEMBL
62807,N#Cc1c([O-])c(Cl)coc1=O,0,GDB ChEMBL
225833,C#CC(CO)c1cccc(F)c1CC(F)(F)F,1,GDB ChEMBL
41080,CC1(O)CCC2C(NC(C[NH3+])CO)C21,0,GDB ChEMBL
203185,CC(=O)N(C(N)=O)C(=O)[C-](C#N)CC(N)=O,0,GDB ChEMBL
103453,CC[NH+]=C(CNC(=O)OC)NCCO,0,GDB ChEMBL
143513,CC1C[NH2+]C(CC(=O)[O-])C2C([NH3+])C2O1,0,GDB ChEMBL
291511,CC1=CC2Cc3ccc(C)c(F)c3C2C1,0,GDB ChEMBL
39769,CCC(C)(C#N)N1CCCCC1COC,1,GDB ChEMBL
127666,CC[NH+](C)Cc1c[nH]c2cccc(F)c12,0,GDB ChEMBL
47817,N=C(CC(N)=[NH2+])NC(=O)C(C=O)CCO,0,GDB ChEMBL
9782,CC1(O)CCC(=O)OC2OC(=O)CCC[NH2+]C21,0,GDB ChEMBL
202015,CC#CCC(C)C(CC)C(C)C[NH3+],0,GDB ChEMBL
5234,CS(=O)(=O)[C-]1C(=O)N(C(=N)N)C1C#N,0,GDB ChEMBL
81013,CCOCC(C#N)[NH+]=C(N)NC,0,GDB ChEMBL
163425,COc1cc(C)nc(C)c1Br,1,GDB ChEMBL
340107,CC(=O)N(C=O)CC([NH3+])CC1C=C(C)C[NH2+]1,0,GDB ChEMBL
61770,COC1CC(O)C(NC(N)=[NH2+])C(O)C(C#N)O1,0,GDB ChEMBL
398948,CCC[NH2+]CC1CC2C(C(C)C)CCC2(C)C1,0,GDB ChEMBL
284342,CC(C(C(N)=O)C(=O)[O-])n1nc(CO)oc1=O,0,GDB ChEMBL
216159,CCC1(CC(C)C(C)[NH3+])CCCC1CC(C)C,0,GDB ChEMBL
112354,CC1(C)OC1(C[NH3+])C(=O)[O-],1,GDB ChEMBL
312885,C#CCC1=CCC[NH+](CCC(C)=O)CC1,0,GDB ChEMBL
6060,O=CCCC1C=CC(=NO)CC[NH2+]CCO1,0,GDB ChEMBL
172746,CCC1OC2C3NC1C2NC3=O,0,GDB ChEMBL
258731,CC(C)C1CC1C=C1CC[NH+](C)C1,0,GDB ChEMBL
307468,CC(C)OC1(C)C[NH2+]C(C)C2CC2C1,0,GDB ChEMBL
142001,CC(O)C1CCC(CO)OCC(=O)C1C(N)=O,0,GDB ChEMBL
281822,CC1C(=O)N(S(C)(=O)=O)CC2CC21O,0,GDB ChEMBL
279298,CCC1=CC2(N)CC(C)C(C(N)=O)C2[NH2+]C1,0,GDB ChEMBL
396774,C#CC(C#N)C(CO)NC(=O)OC,0,GDB ChEMBL
37660,CCOCC1C([NH3+])CNC1(C)C(C)C#N,0,GDB ChEMBL
378615,CC(=O)N(C)Cc1nc([O-])nc(N)c(N)c1=N,0,GDB ChEMBL
315276,COC(=O)c1oc(C#N)cc1[N+](=O)[O-],1,GDB ChEMBL
353543,c1ncn2c1CC1NCCN=C1OCCC2,0,GDB ChEMBL
28266,CNc1cc(NC(=O)CO)sn1,0,GDB ChEMBL
228426,CCCN1CC([NH3+])CC(C)C([NH2+]C)C1,0,GDB ChEMBL
317178,NC(=O)c1cc(F)c([O-])c(=O)o1,0,GDB ChEMBL
2113,CCC=CCC(=CCCC=O)CO,0,GDB ChEMBL
39699,COCC#CC#CCC(C)(C)CC[NH+](C)C,0,GDB ChEMBL
191338,CCn1c(C#N)c(CCCCO)oc1=O,1,GDB ChEMBL
391789,CC1(C)CC([NH3+])CC1(C)C,0,GDB ChEMBL
193188,CC1CCC(C)C2(C)C(C)CCC[NH+]12,0,GDB ChEMBL
194744,CC(COC(C)C1NC(=O)OC1=N)CC(N)=O,1,GDB ChEMBL
127155,CCS(=O)(=O)N1C(=N)C(O)C(O)C1=N,1,GDB ChEMBL
136166,CCCCCCC(CO)(C[NH2+]CCC)C(C)C,0,GDB ChEMBL
194710,CCC1COC2C(C)C(C)[NH2+]C12,0,GDB ChEMBL
104924,CCCC([NH3+])c1ccn(CC(C)C)c1,0,GDB ChEMBL
319852,C#CC1=CC2c3ccccc3CCCC2C1,1,GDB ChEMBL
228305,COC1(C)CC12CCC[NH+]2C,0,GDB ChEMBL
317170,CC(OC(=[NH2+])NCCO)C1COCO1,0,GDB ChEMBL
203652,CCCCCCN(C=[NH2+])C=C(C)C,0,GDB ChEMBL
28148,NC(CO)C(=O)OC1CCOC1,1,GDB ChEMBL
44591,CC1=C(C)CC(c2nccn2C)CC1,1,GDB ChEMBL
389046,C#CC1(C(C)C)CCCC1CC(C)CCCC,0,GDB ChEMBL
122841,CCCCC1C(C(C)O)C(C)(C)C2CCC[NH+]12,0,GDB ChEMBL
333687,CCC1COC(=O)OCCCC(O)C[NH+]=C1N,0,GDB ChEMBL
356850,CC([NH3+])C1CN=C(NS(C)(=O)=O)C1,0,GDB ChEMBL
227500,COC(=O)Cn1nnc(C(N)CO)n1,1,GDB ChEMBL
28234,CC(=O)C(C#N)C1C=CCCC1,1,GDB ChEMBL
62525,COCC1C2CCc3conc3N1C2,0,GDB ChEMBL
377984,CCC([NH3+])C(OC(=O)NC)C(O)C(=O)[O-],0,GDB ChEMBL
389641,CCC[NH2+]C1CC1C1C(OC)C1(C)[NH3+],0,GDB ChEMBL
132492,C[NH2+]CC1CC(C)=CC2C=CCN1C(C)C2,0,GDB ChEMBL
273978,COC(C[NH3+])C1CC(N)=[NH+]CC(C([NH3+])CO)O1,0,GDB ChEMBL
206816,Cc1csccc2sccc2c(C2CC2)c1,0,GDB ChEMBL
147918,CC(O)C1OC(=O)C(=O)C1OC(N)=O,0,GDB ChEMBL
351306,CCC1(CC)CCC(=O)CCC[NH2+]C1,0,GDB ChEMBL
285603,NC1=[NH+]C(C(=O)[O-])CC(C(=O)[O-])C1,0,GDB ChEMBL
294815,C#CCCCCC1=CC2OC2C1C(C)CC,0,GDB ChEMBL
276323,OC1CC=CCCC=CCCC1,1,GDB ChEMBL
41271,CC1(C)C2CN(C(N)=O)C(=O)C1N2CCO,0,GDB ChEMBL
53065,CCN1C2C(=O)C(CO)C(OC)C21,0,GDB ChEMBL
99650,Nc1c(F)cnc(O)c1O,1,GDB ChEMBL
1496,O=CNC1=CC(=O)C(OCC(=O)[O-])CC1,0,GDB ChEMBL
33306,C#CC1C2CC(C(=O)O2)C1C[NH3+],0,GDB ChEMBL
313775,CC(CO)NC(=O)c1c(N)nn(C(N)=O)c1[O-],0,GDB ChEMBL
48525,CNC1CNC(=O)N(C=O)C(=O)C(C)OC1=O,1,GDB ChEMBL
186661,COC1CC2CCC(C2)C1,1,GDB ChEMBL
206843,COc1nc(C(C)C)c(C)c2c1C(=O)CN2,1,GDB ChEMBL
85062,CCOC1CCC2C(C)CC3C1C23,0,GDB ChEMBL
91232,C[NH2+]CCC1Cc2nn(C(C)C(C)O)nc2C1,0,GDB ChEMBL
321387,C[NH+]1CC(CO)C(N)(CS(N)(=O)=O)C1,0,GDB ChEMBL
273440,CC=C1CC(=O)CC2CCC[NH2+]C12,0,GDB ChEMBL
151219,CC(C)N1CCCC2CCOC2(C)CCC1=[NH2+],0,GDB ChEMBL
25253,Cc1c(C)c2c(c(N(C)C)c1F)C(C)CCN2,1,GDB ChEMBL
368456,CCC1CCC(C(C)C[NH3+])C(C)C1,0,GDB ChEMBL
234396,CC1CCN(C(C)C#N)C(C)C1,1,GDB ChEMBL
340093,N=C1C(C[NH3+])NC(=O)OCC(CO)CN1C=O,0,GDB ChEMBL
342571,C[NH2+]CC(c1cccs1)C1OCC1CC#N,0,GDB ChEMBL
375432,CCCCCC1CC(C)C(C)C1C,1,GDB ChEMBL
242643,NS(=O)(=O)CCC(O)c1cncoc1=O,0,GDB ChEMBL
179120,C1=CCC2C3CCCCCCCC(C3)C2C1,0,GDB ChEMBL
346531,CC1CC12COCC#Cc1cccc(c1)C2,1,GDB ChEMBL
240020,C[NH2+]C1(CO)C(C)CC=CC1NC(C)=O,0,GDB ChEMBL
44348,C#CCc1c(Cl)cc(CC(C)(C)C)c(C)c1C,1,GDB ChEMBL
151828,CCNc1ccc(C(C)=NO)nc1F,1,GDB ChEMBL
281019,CC1CC2OCOC(=N)C2C2CNCC(=O)N12,0,GDB ChEMBL
261365,CCC1CCOC2CCC1(C)C2,0,GDB ChEMBL
112819,CC(C)N(C)C(=O)C1(C)CC(O)C1,1,GDB ChEMBL
376676,COC1C(=O)NC(=N)OC1OCC(=O)[O-],0,GDB ChEMBL
284712,CC(C)CCCC1CC(C)C2CCC12,1,GDB ChEMBL
354636,CC1CNS(=O)(=O)CC([NH3+])CN1,1,GDB ChEMBL
210715,N=C1Nc2cc(nc(N)n2)COCCO1,1,GDB ChEMBL
295907,CN1C(=N)NC2CNC(=O)C2NC1=O,0,GDB ChEMBL
115756,O=C(CC1(O)COC1)NCc1csnn1,1,GDB ChEMBL
21459,CC1COC(CC2[NH2+]CCCC2(C)CCO)C1,0,GDB ChEMBL
235173,COCCN(C=N)C(=O)CO,1,GDB ChEMBL
175742,COC(=O)C12NC(=O)C(OCOC1CO)C2N,0,GDB ChEMBL
151837,COC1CNC=[NH+]C1C(N)=O,0,GDB ChEMBL
195279,CCC([NH3+])CC1=CC(C)CC(C(C)CC)C1,0,GDB ChEMBL
17548,C#CC1=CCC2CCC(C)C2(C)CC1,0,GDB ChEMBL
31404,CS(=O)(=O)NCC1OC(C(N)=O)C1N,0,GDB ChEMBL
181518,CC(NC(N)=[NH2+])=[NH+]C(C)CO,0,GDB ChEMBL
317718,CCC(C)CC(C)(O)CC1CO1,1,GDB ChEMBL
148367,COC1(C[NH3+])CCOC(=O)C(C)C1,1,GDB ChEMBL
57250,O=C1CC2CC2NC(=Nc2cnccn2)N1,0,GDB ChEMBL
305189,O=S1(=O)CC(OCC(O)CO)CCCN1,1,GDB ChEMBL
253585,[NH3+]Cc1cc(=O)[nH]cncncc1CC(=O)[O-],0,GDB ChEMBL
133370,CCC1(C)CC=C2C3CCC[NH+]3CCCC21,0,GDB ChEMBL
301183,N=C(N)N(C=O)C1C[NH2+]C1CO,0,GDB ChEMBL
99093,CCOC(CC[NH3+])C1C=C(CO)C2C([NH3+])C12,0,GDB ChEMBL
204668,CC[NH2+]CC(C)(CC(C)(C)[NH3+])NC1COC1,0,GDB ChEMBL
35011,CCCCC1C[NH2+]C2C(OC)C([NH3+])C12CC,0,GDB ChEMBL
301479,CCCC(C)CC1C(C)CCC1C,1,GDB ChEMBL
33147,CC1(C)CCC(CC2(C(F)(F)F)CC2)O1,1,GDB ChEMBL
389432,CCCOC1CCC2(C)[NH2+]C1CC2O,0,GDB ChEMBL
254238,N=CNC(=O)N1CC=CCC1,1,GDB ChEMBL
78282,C[NH2+]C1(CO)C=CC(=O)CC1,0,GDB ChEMBL
25208,CC1(C(=O)[O-])OC1C(=O)CNC(N)=[NH2+],0,GDB ChEMBL
31029,[NH3+]C1(C(=O)[O-])CC=CC=CC[NH2+]CCNC1,0,GDB ChEMBL
308105,CCC(=O)C1C2=C(CCC2)C[NH2+]C1COC,0,GDB ChEMBL
346527,CCC1=C2CC(CC)NC(=O)C2CC1,0,GDB ChEMBL
113524,C#CC(=C)N(CC(C)[NH3+])C(=O)C[NH3+],0,GDB ChEMBL
273403,CC1=CCCCc2ccc(I)c(c2)C=C1,1,GDB ChEMBL
308176,C=C(C)C1CCC=CC2CCCC21,1,GDB ChEMBL
243933,N#Cc1cc(N)c2c(N)ccc(F)c2n1,1,GDB ChEMBL
185945,CC(=O)CCC(=O)NC1CC1,1,GDB ChEMBL
130432,CC1=CC(CC2CC2)C2(CCCC2)C1,1,GDB ChEMBL
172332,CCC1C2C3CC1N(C)C(=O)OC32,0,GDB ChEMBL
244461,C#CC[NH2+]C1CCN(C(C)(C)C#N)C(C)C1C,0,GDB ChEMBL
308010,CCC(C)C1C2COCCN21,0,GDB ChEMBL
29742,CCN(C)C(NCC(N)=O)=[NH+]C,0,GDB ChEMBL
382077,NC=[NH+]CCC(=[NH2+])NC(CO)C(=O)[O-],0,GDB ChEMBL
53323,COC(=O)NC(=N)CC1CN(C)C(=O)C(C)N1,0,GDB ChEMBL
22002,C#CC1C2[NH2+]CCC(OC)C(C)C1C(O)C2C,0,GDB ChEMBL
99097,O=C([O-])C(C(=O)[O-])N1C=NCC1=O,0,GDB ChEMBL
222866,CCN1CC(=O)N(c2cc(C)ccc2N)C1=N,1,GDB ChEMBL
147421,COc1ccc(C)c(C2NC2C#N)c1,0,GDB ChEMBL
397028,C=C(CC#N)C(C)C(C#CC)[NH2+]C,0,GDB ChEMBL
388255,CC(O)C(CNC1C(=N)OC1C)C(=O)[O-],0,GDB ChEMBL
344378,CCCC1CC2(CC(C)CC2O)C(C)O1,0,GDB ChEMBL
285114,N#CC1C2CN3C(=O)CC(=O)C3C(O)C1O2,0,GDB ChEMBL
374055,CC1C2=CCCC(=O)OC(C2)C[NH+]1C,0,GDB ChEMBL
64312,C#CC1(C)[NH2+]C(C)C(C)(CCO)C1C(C)CC,0,GDB ChEMBL
234365,CCOC(N)=NC1(CCNC=O)COC1,0,GDB ChEMBL
386691,CC1[NH2+]C(C(=O)[O-])C(CO)C1=NO,0,GDB ChEMBL
270041,COC1C[NH2+]C(C)C12C1CCOCC12,0,GDB ChEMBL
181698,CC1COC2(C[NH2+]1)C(C)C2C(N)=O,0,GDB ChEMBL
156086,CC(C)CCC(C)NC(C#N)C(N)C[NH3+],0,GDB ChEMBL
341912,CC(C)C([NH3+])C[NH+](C1CC1)C1(C)CC1,0,GDB ChEMBL
119655,CS(=O)(=O)C1C(C(=O)[O-])NC2(CC#N)CC12,0,GDB ChEMBL
380238,CC(C)(C)NC(C#N)C(O)C=O,1,GDB ChEMBL
142499,CNC1=[NH+]C(CO)(C(=O)C(C)(C)C)CCCC1,0,GDB ChEMBL
149995,COC12C[NH2+]C(C(C(=O)[O-])C1)C2C(N)=O,1,GDB ChEMBL
280792,CC(c1cc(F)cc(F)c1)C(C)(C)CCCO,1,GDB ChEMBL
157445,CCCCC12CC1C1CCC(CC2CC)[NH2+]1,0,GDB ChEMBL
97101,CC1=C(C#N)C(=O)NC2CC(C2)N1,0,GDB ChEMBL
84882,O=C([O-])C1[NH2+]CC2OCC3C(O)C213,0,GDB ChEMBL
174680,C#Cc1nc2noc(C)c(CC([NH3+])CC)c-2n1,0,GDB ChEMBL
322872,CCCC(O)C(N)(C#N)CS(N)(=O)=O,0,GDB ChEMBL
252739,CNC1=[NH+]C(C)CNC1C(=O)[O-],0,GDB ChEMBL
53013,CCC1=CC(C)(CC(C)C)CCCC1,0,GDB ChEMBL
307571,COC1CC(=O)NC(=O)O1,1,GDB ChEMBL
93143,CC(C)CC1CC2CNC(C=O)C1C(=O)N2,0,GDB ChEMBL
177107,C[NH2+]C1(C)C(O)CC2NC(=O)N(C)C21,0,GDB ChEMBL
285615,[NH2+]=CNC1C=Cc2cccc(F)c2C1,0,GDB ChEMBL
5230,CN=C1OC(OC)CC1(C)OC(=O)CC[NH2+]C,0,GDB ChEMBL
249803,CCC1=CCCCCOCCS(=O)(=O)C=C1,0,GDB ChEMBL
239105,COC(C)(C)C(=O)CC(=[NH2+])NC1CC1,0,GDB ChEMBL
182515,COC1CC(C(N)=O)CC1[NH3+],1,GDB ChEMBL
348407,CCOC(=N)N(C=O)CCS(N)(=O)=O,1,GDB ChEMBL
351352,CCCC(O)C(CC)c1ccc(O)c(C)c1Br,1,GDB ChEMBL
127030,CCCC1(O)COCCC(C[NH3+])C1OC,0,GDB ChEMBL
3961,CCNC1=Cc2cc(O)c3c4c([nH]c1c24)C=C3,0,GDB ChEMBL
170301,CCC1C=C(C)C(C2CC2)O1,1,GDB ChEMBL
307594,CC1CC2C3C=CC(C3)CC2[NH+](C)C1,0,GDB ChEMBL
143778,C#CCC(CC)C[NH2+]C(C#C)(C#C)CC(C)C,0,GDB ChEMBL
388260,CCCCC1(C=O)CCCC1,1,GDB ChEMBL
124568,N#CC(C#CC(=O)[O-])C(O)CC(=O)[O-],0,GDB ChEMBL
38888,CC1=Cc2c(Br)ccc(C)c2OC1C[NH3+],0,GDB ChEMBL
24510,CC[NH2+]C(C)CC1COc2c(ccnc2Br)C1,0,GDB ChEMBL
358953,CC1NCC(O)(C(O)C(N)=O)C(C[NH3+])NC1=O,0,GDB ChEMBL
130230,C[NH2+]CC(O)C[NH2+]CC1(NC=O)CCC1,0,GDB ChEMBL
187193,Cn1cnc(NCCC(N)=O)n1,1,GDB ChEMBL
129578,C=CCC=C1C=C(C)CC1CCC,1,GDB ChEMBL
208413,N#CCCCC(C([NH3+])C(N)=O)S(=O)(=O)[O-],0,GDB ChEMBL
22028,CCOC1C(NC=O)C1C(N)=O,0,GDB ChEMBL
25183,C=CC(=C)C(=O)C1C[NH2+]C(CC)C1,0,GDB ChEMBL
211116,CC1C=C(CC[NH3+])c2cc(O)cnc2O1,0,GDB ChEMBL
254864,C#CC1CC(C[NH3+])(COC)C1C(C)CCC,0,GDB ChEMBL
200975,COCCC1(C(C)(C)[NH3+])CN(C)C1,0,GDB ChEMBL
338000,CC(C)OCCCC1C([NH3+])CC2(C)CC12,0,GDB ChEMBL
280752,CC#CC[NH+](C(C)C)C(CC)C(C)(C)CC,0,GDB ChEMBL
115938,C[NH2+]CCC12CC(CC1=O)C2,0,GDB ChEMBL
316448,Nc1cc(O)nc2c1S(=O)(=O)NCCO2,1,GDB ChEMBL
209873,C#CCCC(=O)NCC#C,1,GDB ChEMBL
354004,CCC(=O)C1(C2(OC)CNC(=O)NC2)CC1,0,GDB ChEMBL
345427,CC(C)OC(=O)CC1CCCC(=NO)C1C,1,GDB ChEMBL
160986,CC1NC(=O)[N-]S(=O)(=O)CC1C[NH3+],0,GDB ChEMBL
286134,COC(=O)C(O)C(C=O)C(N)=[NH2+],0,GDB ChEMBL
41266,COCC#CCN1CCC1=O,1,GDB ChEMBL
207358,Cc1cc(C(C)(C)C)n(C)n1,1,GDB ChEMBL
391302,C#CCNC(=[NH2+])C(CC)CCC,0,GDB ChEMBL
331471,COc1ccc2ncnc(=O)c(=O)n2c1C,0,GDB ChEMBL
143790,CC1=CCC(=O)NC(=N)N1,0,GDB ChEMBL
83514,CCCC1CC2[NH2+]CC1(C)C2C,0,GDB ChEMBL
120869,O=CC1(C(=O)C2CC2)CCCOC1,1,GDB ChEMBL
89684,N#CC(CC([NH3+])CO)C1CCCC1([NH3+])CC[NH3+],0,GDB ChEMBL
377274,CN1CCCCC1(C[NH3+])C[NH3+],0,GDB ChEMBL
31075,C[NH2+]C(C)C1CCC[NH2+]C2C(C(C)O)CCC12,0,GDB ChEMBL
280643,C#Cc1ccc(CC)cccncn1,0,GDB ChEMBL
41181,CC1COCCN=CN1C(=O)C(C[NH3+])CO,0,GDB ChEMBL
166450,C#CC1CC(C)CC(C)(C(=O)N(C)C)N1C=N,0,GDB ChEMBL
36203,CC([NH3+])CC12CC([NH3+])(C(=O)N1CCO)C2C,0,GDB ChEMBL
307968,CC([NH2+]CC(N)C(=O)[O-])C1CN1,0,GDB ChEMBL
301215,CCC1(C#N)CC[NH+]=C(N)OC1(C)C(=O)CO,0,GDB ChEMBL
47415,CC#CC(=O)C1(COC)CC1,1,GDB ChEMBL
165920,CC1CCC(=O)c2cccc(I)c2CC1,1,GDB ChEMBL
260120,CC1=CC2NC(=O)C1OC2C,0,GDB ChEMBL
288123,CC12COC(CCO)C1OC(=O)NC2=O,0,GDB ChEMBL
89123,CC[NH2+]CC1CC(CC)C2NC12,0,GDB ChEMBL
36201,COC1CC2([NH3+])CCC2C([NH+](C)C)C1C,0,GDB ChEMBL
99646,CCCCC#CC#CC1CO1,1,GDB ChEMBL
301476,CCCCCC(C)(CCC)c1cnccc1Cl,1,GDB ChEMBL
306009,CC1=CCCCCC(C2CC2)C=C1,0,GDB ChEMBL
302609,C[NH+]=C(N)CC(O)CC(C)(C)C(C)=O,0,GDB ChEMBL
44643,[NH3+]C(CO)C(CO)NC=O,1,GDB ChEMBL
235199,CNC(=O)OC(C[NH3+])CC(N)=[NH2+],0,GDB ChEMBL
242662,CCC12CCCC(C)=CCC1C2,0,GDB ChEMBL
130415,C#CC1(C=C)C2C(CC)CCCN21,0,GDB ChEMBL
281023,C[NH2+]C(C)C(C)(OC(C[NH3+])C(C)O)C(N)=[NH2+],0,GDB ChEMBL
20123,CC12CCC3c4cc(Cl)ccc4C1C32,0,GDB ChEMBL
160808,CC1(C)C=C(CCCC(N)=O)C2CCC21O,0,GDB ChEMBL
104408,CCCC(C)c1cccc2c(C)cc(Cl)cc12,1,GDB ChEMBL
81556,CC(C)C1(CC[NH2+]C2CC2)CC([NH3+])C1,0,GDB ChEMBL
376705,CC(CC1CC1)CC1CCC(C)OC1,1,GDB ChEMBL
127158,CN(C)Cc1ncncn1,1,GDB ChEMBL
75417,CC1C(=O)OCC(C=O)C1O,0,GDB ChEMBL
179505,CC(O)(CO)C1CC=CC1,1,GDB ChEMBL
256186,C#CC(O)CCOCC,1,GDB ChEMBL
119633,CN1C(=N)NC(C)(C)CCC1=O,1,GDB ChEMBL
306259,O=CN1C(=O)OC2(CC2)C1CO,1,GDB ChEMBL
337062,CC1C2CCC(C)(C)C([NH2+]2)C(C)(C)CC[NH+]1C,0,GDB ChEMBL
330072,CC1CCC(C2C3C[NH+](C2C)C2CC32)CC1,0,GDB ChEMBL
143799,CC(=O)OC1=NCC(CN(C(N)=[NH2+])C(C)C)C1,0,GDB ChEMBL
28362,CC(C)CCCCC1CC2CC(C)[NH+](C1)C2C,0,GDB ChEMBL
62064,CCCCc1c(Br)cnc(Br)c1N,1,GDB ChEMBL
31272,COCCNc1c(Cl)c(N)c(Cl)[nH]c1=O,1,GDB ChEMBL
383701,CC(C(N)=O)C(C#N)C=O,1,GDB ChEMBL
298235,C#CC(O)CC(C[NH3+])N(CC)CC#N,0,GDB ChEMBL
208451,CCC#CCCC(O)C(C#N)CC(N)=O,1,GDB ChEMBL
300170,CC1CC(c2cccs2)C2(C)CC[NH+]1C(C)C2,0,GDB ChEMBL
222570,CN1C(=O)C2CNC(=O)OC(C#N)C(N2)C1=O,0,GDB ChEMBL
335506,C#CCCC1C(C)=CCC2CCC1C21CC1,0,GDB ChEMBL
174040,O=CNC(C(=O)[O-])C1=CNC(=O)C1,0,GDB ChEMBL
313325,OCC1OC(c2ccoc2)C2CN2CC1O,0,GDB ChEMBL
340160,CCCC1CC(C)C2CCC(CC)C2(CC)C1,0,GDB ChEMBL
305821,CC1C2OC(N)=NC(C2O)C1([NH3+])C(=O)[O-],0,GDB ChEMBL
278202,C[NH2+]C1CCC2([NH3+])CCNCC12C(N)=O,0,GDB ChEMBL
119842,CCC1C2CC(CO)CC1(CC)C[NH+]2C,0,GDB ChEMBL
308210,CCCC(CC)C(C)C(C)(C)[NH3+],0,GDB ChEMBL
89099,CC1(O)C2C1(C(N)=O)C(O)CNS2(=O)=O,0,GDB ChEMBL
48480,CC[NH2+]C12CN(C)CCC1C1OC2(C)CC1O,0,GDB ChEMBL
203524,CCc1nnn(CCS(N)(=O)=O)n1,1,GDB ChEMBL
31762,CC([NH3+])C1CCC(CO)(CO)OC1C#N,0,GDB ChEMBL
100693,N#CC(C1=CCCC1)C(O)C(N)C[NH3+],0,GDB ChEMBL
317573,CCC1C2CCC(O)CCC1C(C)(C)C(O)C2,0,GDB ChEMBL
304428,C[NH2+]C1CCC[NH+]2C(C)C(O)C3CC132,0,GDB ChEMBL
34843,CCC(CC(C[NH3+])C[NH3+])S(N)(=O)=O,0,GDB ChEMBL
115871,C[NH+]1CCNC(C(C)(C)O)C[NH2+]C(C)(C)C1,0,GDB ChEMBL
332421,C[NH+](C)CC1N=CNC1=O,0,GDB ChEMBL
245819,CC1=CC(=O)CC[NH+](C)CCC=C1,0,GDB ChEMBL
308309,CCOCC(C[NH3+])C(C)[NH2+]C1COC1,0,GDB ChEMBL
307526,O=CC1CC2(CC2)CNC1=O,1,GDB ChEMBL
59565,CCCC1CC1C1CC(C)C(C)O1,1,GDB ChEMBL
152483,Cc1ccc(CCO)c(N)c1I,1,GDB ChEMBL
199088,COCCN1C2CC(C[NH3+])C21,0,GDB ChEMBL
50860,CC(C)CC1(C#N)CCCC([NH3+])CCC1,0,GDB ChEMBL
361789,CCc1nsc(C)c1CCCCC(C)=O,1,GDB ChEMBL
235607,CC(OCC(=N)NC(N)=O)C(O)C[NH3+],0,GDB ChEMBL
26014,O=CCNC(=O)OC(CNC=O)CC(=O)[O-],1,GDB ChEMBL
112765,COCC12NC(=O)OC1C(=O)N(C(N)=O)C2C,0,GDB ChEMBL
125630,COC(=O)C1OC(CO)C(O)C(C)C1C#N,0,GDB ChEMBL
259318,CCC(CC(C)[NH2+]CCOC)N1CC[NH+]=C1C,0,GDB ChEMBL
76728,[NH3+]C12CCCCCC(CC1)C2,0,GDB ChEMBL
305466,C#CC(CC(C)CC)C1CC1,1,GDB ChEMBL
298917,COC1CCCC(O)CCc2c1cc(C)n2C,1,GDB ChEMBL
266193,C(CC1COC1)CC1CC2CC2C[NH2+]1,0,GDB ChEMBL
236671,N#CC1N=CNC(=O)C(O)CC1O,0,GDB ChEMBL
345379,CC1CC1(C(=O)[O-])N(C(N)=[NH2+])C(N)=[NH2+],0,GDB ChEMBL
195427,CC[NH2+]C(CC)CCC1CC(C)(O)C1C,0,GDB ChEMBL
161375,CC1(C)CCC(CC2(C)CCC2)CC1,1,GDB ChEMBL
277757,C#CC1c2c(cnn2C)CCOC1C,0,GDB ChEMBL
250667,CCC1(O)CC(CCNC(C)(C)C#N)C1,1,GDB ChEMBL
119806,O=C1NCC(O)C2OCC1C2=O,1,GDB ChEMBL
296591,CN1CC2C3C[NH+]2CCC1CC3O,0,GDB ChEMBL
330733,O=C([O-])C(=O)N1CCC1c1ccsc1,1,GDB ChEMBL
62592,CC1CC2CCC[NH+](C1)C2C,0,GDB ChEMBL
71303,CC1C(CC(=O)[O-])N2C(=O)NCC2S1(=O)=O,0,GDB ChEMBL
242920,CCCC(CC([NH3+])Cc1nn[n-]n1)[NH2+]CCO,0,GDB ChEMBL
76425,CN1C(=O)OCOC(=O)C(N)C1=O,1,GDB ChEMBL
255995,N#CC12OC1CC(=O)OC2CO,0,GDB ChEMBL
77072,CCc1ncc(CCOC=O)c(CC)c1F,1,GDB ChEMBL
117348,CN(C)CC(=O)OC(=N)C1CC1,1,GDB ChEMBL
181621,Cc1ccn2c1C(=NO)CN(C)CC(O)C2,1,GDB ChEMBL
181409,CC([NH3+])C1OC(CO)COCC1O,0,GDB ChEMBL
345822,C#Cc1cc(=O)cc(O)c(CCC)c1OCC,1,GDB ChEMBL
300451,CNC(=O)C(C=O)CC(C)NC=O,1,GDB ChEMBL
254216,CC(O)CNc1nc(N)n(C)n1,1,GDB ChEMBL
169088,CC[NH2+]C(C)c1cc(C)cc(CC(=O)[O-])c1C,0,GDB ChEMBL
93459,CNC(=O)c1c(C)nnn1C,1,GDB ChEMBL
314122,CC1C(=O)N(C)C(=O)c2csnc2N1CCO,0,GDB ChEMBL
379387,C#CC(C(C)=O)C(C)[NH2+]C,0,GDB ChEMBL
374347,CCn1c(OCCC#N)cc(C)c1O,0,GDB ChEMBL
202811,CCC12OC1C(C(=O)[O-])OC2=O,0,GDB ChEMBL
197040,CCOCCCC(O)c1occ(NC)c1C,1,GDB ChEMBL
18389,CC12C(CCO)NC(=O)C1N2C(N)=O,0,GDB ChEMBL
185984,CNC(CC[NH3+])C[NH2+]C(C)C,0,GDB ChEMBL
115003,COC1(C)C2C13C(=O)NCC3NS2(=O)=O,0,GDB ChEMBL
337784,CCCCC12CCC(CC1(C)O)C(C)C2,0,GDB ChEMBL
225013,CC(C#N)C1(C(N)=O)CC(O)C=CCN1,0,GDB ChEMBL
191703,CCC1C(=O)OC1C(O)C1CC1,1,GDB ChEMBL
266470,NC1=[NH+]CC(O)(CC(=O)N2CC([NH3+])C2)CO1,0,GDB ChEMBL
173116,COCC(C)C1C(C(N)=O)N1C,0,GDB ChEMBL
127719,CNC(=O)C1[NH2+]C2CC1C1OC2C1=NO,0,GDB ChEMBL
225457,Cc1ccc(I)c2c(C3CC3)cccc12,1,GDB ChEMBL
322894,CCCC(C)C(C)C(C)OC(CC)CCCO,1,GDB ChEMBL
98868,CC#Cc1cc2cc(N)ncc2[nH]1,1,GDB ChEMBL
210750,CC1(C(N)C(N)=O)C(N)C1(CN)NC(N)=[NH2+],0,GDB ChEMBL
136489,CC1=CCCc2cccc(C)c21,1,GDB ChEMBL
16487,C#CCC(C)C1NC1(C[NH3+])CO,0,GDB ChEMBL
162522,CC(C)[NH2+]CC(OC(N)=O)S(N)(=O)=O,0,GDB ChEMBL
245802,C=CC1CC2C([NH3+])C2CC(CO)[NH2+]1,0,GDB ChEMBL
296642,CC#CCC(C#N)Oc1ccc(CC)cc1,1,GDB ChEMBL
111932,CN1CC2([NH3+])C(O)C2NCCC1=O,0,GDB ChEMBL
157754,CN1C(=N)NC(C=O)C(C)(CO)S1(=O)=O,0,GDB ChEMBL
112837,CC1[NH2+]C2CC(=O)NCC(O)(C(=O)[O-])C12,0,GDB ChEMBL
311028,C=C1CCC2C(OCCC)CCC12,1,GDB ChEMBL
260186,COC1CC2=CC3(C)[NH2+]CC3C2(C)C1,0,GDB ChEMBL
59211,CCc1c(C(=O)[O-])nnc(O)c1C(N)=[NH2+],0,GDB ChEMBL
379164,CCC12CC3OC3C1CC(C(=O)[O-])[NH2+]C2C,0,GDB ChEMBL
230254,CN1CC2C(N)=[NH+]CC(=O)C1C2S(C)(=O)=O,0,GDB ChEMBL
234879,C=C1C[NH+](C)C(C)(C)CC2(CC2)C1,0,GDB ChEMBL
104912,CNCC(NC(C)=[NH2+])C(=O)OCC(N)=[NH+]C,0,GDB ChEMBL
103943,COC(=O)C1CC(NC(C)=O)S1(=O)=O,0,GDB ChEMBL
338364,[NH3+]CC1C=CC(O)(CC(=O)[O-])C1,0,GDB ChEMBL
157446,C#CCC(C[NH3+])C(C)(C[NH3+])C(C)([NH3+])CCO,0,GDB ChEMBL
77516,CCc1ccc(C)cc2n(cn1)C=CCC2,0,GDB ChEMBL
106637,NC(=O)C1OC1CCC([NH3+])CO,0,GDB ChEMBL
101921,CNC(=O)Oc1cc(C=O)sc1C(=N)N,1,GDB ChEMBL
28321,CC1C=CC2CCC(C1C)[NH+]2C,0,GDB ChEMBL
90331,CC1CC2C(C)CC([NH3+])C2O1,0,GDB ChEMBL
355350,CC1=CCC[NH+]2CC(C)COCC(C)C2C1,0,GDB ChEMBL
33340,CC#CCc1cc(C)c(Br)c(C(F)(F)F)c1,1,GDB ChEMBL
8754,CC1C(Oc2cccnc2)COC1OC(N)=O,0,GDB ChEMBL
203222,CCC1(OC)C2C#CCCCCCC1OC2,0,GDB ChEMBL
204177,COCC(C)N1C(=N)OS(=O)(=O)[N-]C1=O,0,GDB ChEMBL
321937,CC12C3NS(=O)(=O)C1C2C(C(=O)[O-])NC3=O,0,GDB ChEMBL
386432,COC1C2CCC1[NH+]1CC(CC#N)C2C1C,0,GDB ChEMBL
362231,CCOC(C)CC1C2CCCC1CC2,0,GDB ChEMBL
332488,CC(=O)C1C(C#N)C1C(N)=O,1,GDB ChEMBL
184095,[NH3+]C1(C2CC(CO)C(=O)O2)C(O)C1O,0,GDB ChEMBL
354961,N#CC1(CN)NC(C(=O)[O-])C1C(=O)[O-],0,GDB ChEMBL
237974,C#CCCC1CC#CCCCCC1C,0,GDB ChEMBL
77252,C[NH+]1CCC([NH3+])CCC2(C)CC1CC2NC=[NH2+],0,GDB ChEMBL
331189,CC1C=CC2C(CCC1)CC(O)C2C(C)[NH3+],0,GDB ChEMBL
207910,C[NH2+]C1C=CCC(C)C(O)C1C,0,GDB ChEMBL
392294,O=C([O-])CS(=O)(=O)NC1COC1CO,1,GDB ChEMBL
84543,CC12CCOC3c4cc(Br)ccc4N1C32,0,GDB ChEMBL
302611,CC1C2CCC(C[NH3+])CC2CC12CC2,0,GDB ChEMBL
277611,[NH3+]CC1CC1Oc1cnc2c(c1)NCCN2,0,GDB ChEMBL
296075,COc1c(N)c(C(N)=O)c(F)c2c1OCO2,1,GDB ChEMBL
361021,CCCC1(C)C=Cc2cc(I)cc(C)c2C1,1,GDB ChEMBL
108678,CCC1CCCC(C2CCCC2)CC1,1,GDB ChEMBL
222141,CC(=O)Cn1c2c(c3[nH]ccc31)C(=O)N(C)C2,0,GDB ChEMBL
288521,NC(=O)C[NH+]=CN1CCC1CO,1,GDB ChEMBL
262560,C#CCCC1CCC=C1COCCC1CC1,0,GDB ChEMBL
68637,CCCC(O)C1CC([NH3+])C1(C)CC(N)=O,0,GDB ChEMBL
271557,CCC1CCCC2C3C=CCC=CC(C3)C12,0,GDB ChEMBL
29964,CC1C[NH2+]C2C(O)C1C(=O)OC21CC1,0,GDB ChEMBL
263511,CCC1C2(C)CC(C2)C1(O)C1C[NH2+]CCO1,0,GDB ChEMBL
380600,COC12CC(OC1C(=O)[O-])C2[NH3+],0,GDB ChEMBL
390111,COC1CC2[NH2+]C(CO)CC([NH3+])(C1)C2N,0,GDB ChEMBL
357672,CNC(=O)C1(C(=O)C(=N)N)CC[NH2+]C1C,0,GDB ChEMBL
84536,CCOCC1(O)CC2CCC(C1)C2(C)C,1,GDB ChEMBL
338507,CC12CC(OC1=N)C(=O)[N-]C(C#N)C2(O)CO,0,GDB ChEMBL
365763,C#CC(C[NH+]1CCC1)C1CC1,0,GDB ChEMBL
255437,N#CC(NC(N)=O)C(O)CNC=[NH2+],0,GDB ChEMBL
76060,CCC(C)(C)C1C(C)=CCCCC12COC2,0,GDB ChEMBL
392542,[NH2+]=CNCC(CO)CCCO,0,GDB ChEMBL
75409,C[NH+](CCN)C1CC(C)(C2CC2)C1,0,GDB ChEMBL
117316,CC([NH3+])C(C)(C(N)=O)C1CC=CC1C[NH3+],0,GDB ChEMBL
95536,CCC1C(CC[NH3+])C1n1ccc(O)n1,0,GDB ChEMBL
359197,C[NH2+]C(CO)CC(=O)CC=O,1,GDB ChEMBL
814,CCc1cncn1CCC#N,1,GDB ChEMBL
239999,COC(C)(C)C[NH2+]C1CCC1C,0,GDB ChEMBL
217358,CCC1C([NH+](C)C)C2OC(C)(C)C1C2C,0,GDB ChEMBL
160858,C#CC1(C)CC(O)C(CO)=CC1CCC,0,GDB ChEMBL
124279,CC1C2[NH2+]C(CC2C2CCO2)CN1C,0,GDB ChEMBL
292196,CC1CC=C(C(=O)[O-])C(O)S(=O)(=O)NC1,0,GDB ChEMBL
300699,NC(C[NH3+])C1(C(=O)[O-])NC(=O)C2OC21,0,GDB ChEMBL
141807,CC1=CC2OC(C)C2C(=O)NC(CC[NH3+])C1,0,GDB ChEMBL
1944,N#CC1C(O)C1C([NH3+])CCNC=O,0,GDB ChEMBL
216471,CNC1=[NH+]C(CC[NH3+])(COCCO)CCOC1,0,GDB ChEMBL
120009,CC1CC(C)C2OCC(N)C2[NH+]=C(N)N1,0,GDB ChEMBL
130449,C[NH2+]C12COCC1N(CC(=O)[O-])C(=[NH2+])C2,0,GDB ChEMBL
366003,CC(O)C(C[NH3+])(NC(=O)C(N)=O)C(=O)[O-],0,GDB ChEMBL
239332,CCC(C(C)C)C(C)(C)CC,1,GDB ChEMBL
136105,CC#CC(C(C)C)[NH+]1CCC1,0,GDB ChEMBL
352601,CCCC(C)(C(C)C)C1C(C)CC2CCC1C2,0,GDB ChEMBL
134457,CCC1CCCC2(C)C(=O)C=C(C1)C2C,0,GDB ChEMBL
210385,CC1(C)CCC2(CC=CCOC2)C1,1,GDB ChEMBL
394307,CCC1CC=C(C)CC1=O,1,GDB ChEMBL
332333,CC12CCC([NH3+])C(=O)NC(=N)OC1C2[NH3+],0,GDB ChEMBL
257523,NC(=[NH2+])N(C(N)=O)C1CC1C[NH3+],0,GDB ChEMBL
330772,COC1C[NH2+]CC(C)C(C)C(C)O1,0,GDB ChEMBL
240810,CCNC(=O)C1(OC)COC1C(N)=O,0,GDB ChEMBL
11217,CC#CC1C2CCC(OC)CC12,1,GDB ChEMBL
103529,CC(C)CCCN1C=[NH+]CC1,0,GDB ChEMBL
156009,NC(=O)C(C(O)C(=O)[O-])C(O)C([NH3+])CO,0,GDB ChEMBL
223982,C#Cc1c(C2C[NH2+]C2)cc(CO)c(O)c1F,0,GDB ChEMBL
310791,CC(O)C1C(C#N)OC(C)C([NH3+])C1CC(=O)[O-],0,GDB ChEMBL
103467,COC(=O)CC1CCC2(C1)C(C)C2O,0,GDB ChEMBL
387345,CC(=O)N1C2CC(C)C([NH3+])C21C,0,GDB ChEMBL
96095,NS(=O)(=O)CC1[NH2+]CC1CCO,0,GDB ChEMBL
174045,CC1CN(C)C(N)=[NH+]C1C(=O)O[C-](C#N)C#N,0,GDB ChEMBL
263156,CCOC1CCN(CC)C1=[NH2+],0,GDB ChEMBL
115258,CCCc1c(C)cc(I)nc1C,1,GDB ChEMBL
47195,C#CC1(O)C(O)C(O)C(O)C1[N-]S(C)(=O)=O,0,GDB ChEMBL
210237,Cc1cn2nnc3cccc1c32,0,GDB ChEMBL
281995,[NH2+]=C1C=CCC(CCCCC2CC2)O1,0,GDB ChEMBL
142951,CC(C)CC[NH+]=C(N)CN,0,GDB ChEMBL
59205,OCC12CCC(C1)[NH+]1CC2C1,0,GDB ChEMBL
375151,CCC1CC(C)C2C[NH2+]C(C)CCC12,0,GDB ChEMBL
35431,CC1(C)CCC2(CC2)CC2CCCC2C1,0,GDB ChEMBL
177306,CCC1OC(=O)NCC12C(=O)OCC2=NO,0,GDB ChEMBL
396763,CC(O)CNC(=O)C1[N-]S(=O)(=O)C1O,0,GDB ChEMBL
270096,C[NH2+]CC1CC(OS(N)(=O)=O)C1(N)CO,0,GDB ChEMBL
257409,Nc1nc(N)n(CC(O)C[NH3+])c(=O)n1,0,GDB ChEMBL
314140,CCN1CCOCc2ncc(cn2)C([NH3+])C1,0,GDB ChEMBL
340487,CN1C(N)=NC(C#N)C(C#N)CS1(=O)=O,0,GDB ChEMBL
239134,CC#CCC(N)(C#N)C(N)=O,1,GDB ChEMBL
185906,NC(=O)Cn1cnc(O)c1C1CC[NH2+]1,0,GDB ChEMBL
66731,CC(=O)N(C)C(C(C)O)C1(C)COC1,0,GDB ChEMBL
28973,CCCN1CCC2C(C)[NH2+]C2C1,0,GDB ChEMBL
382557,N=C1CCC(=[NH2+])NCCOC(=O)CC([NH3+])CO1,0,GDB ChEMBL
296411,CCC1OC(=O)NCC(C)[NH2+]CC1(C)N(C)C,0,GDB ChEMBL
289431,COC(=O)C(O)C1OC(C[NH3+])C2OC(=[NH2+])NC21,0,GDB ChEMBL
337799,CCC12OC1C([NH2+]C)C(C)C2O,0,GDB ChEMBL
355761,C=C1CC(COC)(OC)CCC1C,1,GDB ChEMBL
208258,CCNC(=O)Nc1c([N+](=O)[O-])n[nH]c1N,1,GDB ChEMBL
152006,CN1CC2C=CCC2(C)c2ncc(Cl)cc21,0,GDB ChEMBL
203557,C#Cc1c(N(C)C)nc(N)c(Cl)c1CO,1,GDB ChEMBL
61773,CCCC[NH+]=C1CC(C)=CCN1,0,GDB ChEMBL
161008,CNS(=O)(=O)c1cnc(O)c(C#N)n1,1,GDB ChEMBL
13827,Cc1onc2c1C(=O)OCC=CCO2,1,GDB ChEMBL
174671,Cc1nn(CC[NH3+])c(C#N)c1CO,0,GDB ChEMBL
214016,C#CC1(O)CCC2(CC(C)C)CC1(C)CCO2,0,GDB ChEMBL
197087,CC1(CC(N)=O)CC(C2CCCC2O)C1,0,GDB ChEMBL
288487,CN1CC(C(=O)[O-])C(O)(C[NH3+])C1=O,0,GDB ChEMBL
227940,C[NH+]1CCC2(C)CCC3C(C=O)C32C1,0,GDB ChEMBL
193236,N=c1c(C(N)=[NH2+])c[nH]nc1C(=O)[O-],0,GDB ChEMBL
285779,CCC12COCC1[NH2+]CC2OC(C)(C)C,0,GDB ChEMBL
257535,CC(=N[O-])c1conc1NC(N)=[NH2+],0,GDB ChEMBL
338936,CCC(=O)NC1C(=N)OC(=O)C1(N)C(N)C[NH3+],0,GDB ChEMBL
310766,CCCC([NH3+])(CO)C1CO1,1,GDB ChEMBL
21511,CC1CC(O)C2CN2C(C)C1,0,GDB ChEMBL
38737,CN1C(=O)C(O)C2CC1C2(C)C,1,GDB ChEMBL
349656,COCCC12CC[NH2+]CC(C(C)C1[NH3+])C2O,0,GDB ChEMBL
70129,CC1(C(=O)[O-])C2NC(=O)C1C1OC12,0,GDB ChEMBL
84594,C#CS(=O)(=O)N(C)C(C(=O)[O-])C(=O)N(C)C,0,GDB ChEMBL
321850,CNC(=[NH+]CC=C(C)CC#N)OC,0,GDB ChEMBL
143452,C#Cc1c(Cl)ccc(C=O)c1Cl,1,GDB ChEMBL
174701,CCc1cc2c(N)c(F)cnn2c1,1,GDB ChEMBL
276322,C=C(C)CCN1CCCCCC1=[NH2+],0,GDB ChEMBL
195182,[NH3+]C1CCC(CO)C2C([NH3+])CNC12,0,GDB ChEMBL
26002,CCOC(=O)CN(C)CCC1[NH2+]C1C,0,GDB ChEMBL
60625,NC(=[NH2+])NC1CC(N)C[NH+]=CNC1CO,0,GDB ChEMBL
28991,CCC1CC(C)C1Cc1ccc(Br)cc1,1,GDB ChEMBL
354964,CCc1c(CC(C)O)sc2c1C(C)CCC2,1,GDB ChEMBL
317946,CCCCC([NH3+])C1CS(=O)(=O)N1,1,GDB ChEMBL
254213,C#CC1=CC2C(CCCC1)CC(C)C21CC1,0,GDB ChEMBL
79387,C[NH+]=C(N)N(C)C(N)=[NH2+],0,GDB ChEMBL
194277,CCCCCc1nc(N)n(C)c1C=O,1,GDB ChEMBL
216154,C#CC12C[NH2+]CCCOC1C=C(C)C2,0,GDB ChEMBL
41324,CC(C)CC1CCC(C)(C)CCCCCC1C,0,GDB ChEMBL
90280,CC1CC(=O)NC(N)=N1,1,GDB ChEMBL
40386,CC(C)(CCCO)C1[NH2+]CC=C1C(F)(F)F,0,GDB ChEMBL
153269,CNC(=O)C1CN(C)C(=O)O1,1,GDB ChEMBL
341301,C#CCCn1c(C)nc2cc(F)c(F)c(F)c21,1,GDB ChEMBL
125661,C1CCC2=C(C1)CCOCC2,1,GDB ChEMBL
81027,[NH2+]=C1N(CC(=O)[O-])CC1(CO)C(=O)[O-],0,GDB ChEMBL
368196,CCC1CCOc2c(C)coc2C[NH2+]1,0,GDB ChEMBL
170278,C#CC=C(C=CC[NH2+]C)C(C)CC,0,GDB ChEMBL
147239,C#CC1CC(C)=CCC=CCC=C(C)C1,0,GDB ChEMBL
29003,CC1=CC2C=CC1(C)C2CCCC(C)C,0,GDB ChEMBL
316141,CC1C2C3CCC(C32)N1C(N)=O,1,GDB ChEMBL
316145,COCc1[nH]nc(NC(=[NH2+])N(C)C)c1C(C)O,0,GDB ChEMBL
184904,CC1(C2=CS(=O)(=O)CCC2=O)CCNC1=O,0,GDB ChEMBL
28254,CC(O)C[NH2+]CC1=CCC(O)C1,0,GDB ChEMBL
397100,C#CC1([NH3+])C(C)(C)C12NC(=O)NCCC2C,0,GDB ChEMBL
156550,Cn1nnc(C#N)c1C(=O)NCCO,1,GDB ChEMBL
370273,O=C1CC(O)C2OC2C(O)C1,1,GDB ChEMBL
251932,C#Cc1c(C)cc2cc(F)c(F)cc2c1C=O,1,GDB ChEMBL
251026,CCC12CC(C[NH3+])C(C1)NC1CCC2NC1=O,0,GDB ChEMBL
119244,CCCC1(C)C2CC(C)CC1(C)C(C)C2,0,GDB ChEMBL
217049,O=C1NC(C(O)CO)CC=CC1C1CCO1,0,GDB ChEMBL
243947,CC1CNC2C(=O)OCC([NH+](C)C)C2(O)C1,0,GDB ChEMBL
377781,N#CC12C3OCC1(CO)C(=O)NCC([NH3+])C32,0,GDB ChEMBL
291912,N#CC1C(=N)N(C(=N)N)C(=O)CC1OC(N)=O,0,GDB ChEMBL
200953,CCOc1c[nH]c(=[NH2+])nc1C(=O)[O-],1,GDB ChEMBL
363564,[O-]c1cc2cnc(O)n2nc1O,0,GDB ChEMBL
328908,CCOC(=O)NCCNC=[NH+]CCO,0,GDB ChEMBL
55516,CCCCOC1(C(=O)[O-])OC(=N)CC1C,0,GDB ChEMBL
290294,NC(C(O)C([NH3+])CCC[NH3+])C1(N)C[NH2+]C1,0,GDB ChEMBL
264937,C#CC1CCCc2ccc(F)c(CC)c2CC1,0,GDB ChEMBL
281046,CCC1CC12CC1CCCCC1C[NH2+]2,0,GDB ChEMBL
112804,C#CC1CC(NC(C=O)C[NH2+]C)C(CC)[NH+]1C,0,GDB ChEMBL
274071,CCC1CC2CCC1C1(CC1)C2C(F)(F)F,0,GDB ChEMBL
252706,O=C1CC2C3CC3C(O)C2O1,1,GDB ChEMBL
308255,CC1COCCOC(C)C2CC(CC2=O)C1C,0,GDB ChEMBL
65629,CCC(C)(C)C(C)C(C)(C)C[NH3+],0,GDB ChEMBL
261360,C[NH+]1CC(CC=O)C1CO,0,GDB ChEMBL
316462,CC(=O)C1C(C)c2ccccc2C1(C)C,1,GDB ChEMBL
80457,NC1CC(=O)NC2CNC1C([NH3+])C2,0,GDB ChEMBL
64627,CCC(CC)CCc1cc(Br)cc(Br)c1C#N,1,GDB ChEMBL
316164,CC(=O)OC1(C)CC2NC(=[NH2+])OC1C2[NH3+],0,GDB ChEMBL
356503,CC1C([NH3+])COC1CO,0,GDB ChEMBL
339097,CN1CC2[NH2+]C(CC2S(=O)(=O)[O-])C1C(=O)[O-],0,GDB ChEMBL
339227,O=C1CC(Cc2scc(CO)c2O)CO1,1,GDB ChEMBL
305945,CCCCC1(C)OCC(C[NH3+])OC1=NCCC,0,GDB ChEMBL
24513,NC(N)=[NH+]CCC(=N[O-])C(=O)OCCCO,0,GDB ChEMBL
146049,CC(C)(C)C(O)C1=CC=CCC=CC1,0,GDB ChEMBL
35010,CC#CC1(CC)COC(COC)C(C)(C)C1,0,GDB ChEMBL
178053,CC(=O)C1C=C(C)CCC=C1C,0,GDB ChEMBL
333122,C[NH+]1CCCCC(C)(CC2CC(C)([NH3+])C2)C1,0,GDB ChEMBL
120855,CC(=O)c1onc2c1CN(C)C1CC21,1,GDB ChEMBL
228492,CC1CC(O)CC(=O)C1N=C(N)CO,0,GDB ChEMBL
273945,CC1C2N(C)C(=O)C1(C)CC2([NH3+])CC[NH3+],0,GDB ChEMBL
377945,N#CC1(C(N)=[NH2+])C(O)C1NC(N)=O,0,GDB ChEMBL
243959,CC1CCC(COc2ncnc(N)n2)C1C#N,1,GDB ChEMBL
184093,COC1CC(C)CNC(=[NH2+])NC2CC1([NH3+])C2,0,GDB ChEMBL
25989,CCC1[NH2+]C2C(C#N)C2C1O,0,GDB ChEMBL
136085,CC(C)Cc1ccocccc2c1CCC2C,0,GDB ChEMBL
247635,COc1coc(C)c1C(C)NC(C)C(F)(F)F,1,GDB ChEMBL
383926,CCCC12OCCC1CC1C(C)C(C)CC12C,0,GDB ChEMBL
275547,CCCC([NH2+]C)C(CC)C(C)C#N,0,GDB ChEMBL
300694,CC(=O)NC1C(N)C[NH2+]C(C)CCC1[NH3+],0,GDB ChEMBL
134423,N#CCNCCCCOC1CNC(=O)CC1[NH3+],0,GDB ChEMBL
335499,C[NH2+]C1(C)CC2(OCCOC)CC1C2,0,GDB ChEMBL
133170,COCCC1([NH3+])C(O)C([NH3+])C(O)C1NC(N)=O,0,GDB ChEMBL
24709,CCOC1(C)C(C(N)=O)[N-]S(=O)(=O)C1OC,0,GDB ChEMBL
140883,COC(=N)NC1C(=O)NC(=O)C(N)C1O,0,GDB ChEMBL
174305,CC1(O)CC2COC(=O)C1(CN)[NH+]=C(N)N2,0,GDB ChEMBL
174007,CC1=C(C[NH+](C)C)C(C(O)CC#N)NC1=O,0,GDB ChEMBL
33848,NC(=O)C1CCS(=O)(=O)NC=CCC1O,0,GDB ChEMBL
362223,COCC1CC2C[NH+](C)C3C(O)CC23C1,0,GDB ChEMBL
25202,CCC1CCC([NH3+])C(C)N(C=[NH2+])C1CCCO,0,GDB ChEMBL
173145,CCC1=CC(O)C(COC(N)=O)[NH2+]C1,0,GDB ChEMBL
391648,CC1CCCCC(C)(C)C2CC=C(C1)C2,1,GDB ChEMBL
35322,CCCCC(C)(C)C1CC(C)=CC(C)(C)C1,0,GDB ChEMBL
144642,[NH3+]C1C2CNC3(CC3C1O)C(=O)O2,0,GDB ChEMBL
299939,COC1C2C(C)CC1C(C)(C)C2[NH+](C)C,0,GDB ChEMBL
389376,CCC(=O)C1C(C)CC2C(C)C21COC,0,GDB ChEMBL
381498,CC(O)C(=O)NC1C(O)CC(CO)C1O,0,GDB ChEMBL
149344,CC12CC3CC1N(CC#N)C3C2,1,GDB ChEMBL
73286,CC(C)C(O)C12C=CCC(CC[NH3+])(CO1)C2,0,GDB ChEMBL
241149,CCOC1(C)C[NH2+]CC(C)CC(=O)CC1C,0,GDB ChEMBL
346525,CCCc1c(Br)cc(N(C)C)cc1[NH+]=C(C)N,0,GDB ChEMBL
334119,CC1CC2(C[NH2+]1)COC2,0,GDB ChEMBL
127678,CCCCCC1CC(C)CC(C)C1C(C)(C)C,0,GDB ChEMBL
310328,OCCc1cccc2c(I)cccc12,1,GDB ChEMBL
141695,CC1(C)CNC(NC(N)=[NH2+])=[NH+]1,0,GDB ChEMBL
73280,CCC1C2CC(C#CC([NH3+])CO)(C2)C[NH+]1C,0,GDB ChEMBL
34420,NS(=O)(=O)C1OC12CC(O)CNC2=O,0,GDB ChEMBL
180805,CS(=O)(=O)CC[NH2+]C(CO)CO,0,GDB ChEMBL
124314,CC(=O)NCC1OC2C3CC3C3C1C23,0,GDB ChEMBL
398202,CCCC(C=O)C(=O)COCC,1,GDB ChEMBL
112799,CC1(CCC(O)CO)CC2C(=O)NC1C2(C)C,0,GDB ChEMBL
193187,CC1OCC2(C(=O)[O-])N=C(N)OC1C2[NH3+],0,GDB ChEMBL
281040,CC1CC2CCOC(CO1)C2=O,0,GDB ChEMBL
352674,CC1CC1C1(C(O)CO)CC1,1,GDB ChEMBL
212577,CC(C)C(C)c1cccc(F)c1C1CC1,1,GDB ChEMBL
343225,CC(CC(N)c1nc(N)no1)C(N)=O,0,GDB ChEMBL
220129,CCOCCC1(C(C)=O)CCCC=C1CC,0,GDB ChEMBL
22829,CNC1C(OC)C(C(=O)[O-])NS1(=O)=O,0,GDB ChEMBL
204324,N#CC1(O)CN=C(N)NC1=O,0,GDB ChEMBL
7420,Cc1cc(C(=O)C(F)(F)F)c(O)c(CC=O)n1,1,GDB ChEMBL
217720,COCC1OC2C(=O)CCN(C)CC12C,0,GDB ChEMBL
94621,CNc1nc(C(N)=O)cn1C(C)=O,1,GDB ChEMBL
116033,Cc1cc2cc3c(cc2s1)CCC3,1,GDB ChEMBL
117449,Cc1cc(C2CC2)nn1C(C)(C)CC(C)C,1,GDB ChEMBL
68618,C#CC1c2[nH]ccc2CCC(C[NH3+])CC1(C)C,0,GDB ChEMBL
344254,C[NH2+]C1CC(C)C(O)CC(C(C)C(C)CO)C1,0,GDB ChEMBL
346533,C#CC1CC(CC(C)(C)C)CCC(C)C1CC,0,GDB ChEMBL
170449,CC[NH2+]C1C2CC1(C(=O)NC)C(=O)C2CO,0,GDB ChEMBL
39996,CCC1(O)C(=O)C(C#N)(CO)NC1C,0,GDB ChEMBL
368445,CC1CC2CCCC(C3C=CCC13)C2C[NH3+],0,GDB ChEMBL
111486,CCC1=CC(C)C[NH+](CC)C1,0,GDB ChEMBL
383036,CC1(C(=O)[O-])CNC(=O)N(C(N)=O)C1CO,0,GDB ChEMBL
361160,CCC1C(=NO)C(C)(O)C(O)C1NC(N)=O,0,GDB ChEMBL
333652,CCCC#CC(N)C(=O)Nc1ccon1,1,GDB ChEMBL
13121,C#CC(CCCC)CCC1C=CCCC=C1,1,GDB ChEMBL
288575,CC=CCC[NH2+]CC1(C[NH2+]C)CC1,0,GDB ChEMBL
375147,N=C(N)NC(=O)c1ncon1,1,GDB ChEMBL
200954,CCCC1(C)CCC1c1ccccc1I,1,GDB ChEMBL
290569,COCCS(=O)(=O)C1C(CO)[NH2+]C2CCOC21,0,GDB ChEMBL
50942,CCC1C(C)C2C(CC(C)C)C(C)C1C2(C)C,0,GDB ChEMBL
263424,CCC(CC)C12CN(C1)c1cccc(F)c12,1,GDB ChEMBL
225816,COCCOC(=O)C(CC(N)=O)C(=O)[O-],1,GDB ChEMBL
148551,Cc1cnc(C#CCO)s1,1,GDB ChEMBL
21497,CCC1OCCCCC2CC1CC2=O,0,GDB ChEMBL
270102,CC12CC1[NH2+]C(CO)CC(=O)N2,0,GDB ChEMBL
203533,C[NH2+]CC(CO)N1Cc2c(C)sc(=N)n2C1=O,0,GDB ChEMBL
309144,C#CCC(C(=O)OC)C(C)(C)C(F)(F)F,1,GDB ChEMBL
218584,COC(=O)C1N=CNS(=O)(=O)CCC1[NH3+],0,GDB ChEMBL
131655,C#CCOC(C)C(CO)[NH2+]C,1,GDB ChEMBL
48091,CCC1C(O)C=CC1(C)C(C)C,1,GDB ChEMBL
242618,C=CC(CC#CC1CC1)C(C)CC,1,GDB ChEMBL
365814,COCC(C)C(=O)CC(C)=NO,1,GDB ChEMBL
155128,CC1CC2C(=O)C13CCC2C3O,0,GDB ChEMBL
259438,CC[NH+](C)C1C(C)C(O)C1N,0,GDB ChEMBL
177243,C#CCCC(C#C)CCc1ccc(C)c(C)c1,0,GDB ChEMBL
221700,C#CC1CCC(C)(CCCO)CC1OC(C)C,0,GDB ChEMBL
131894,CNC(C(N)=O)C(=O)S(=O)(=O)CCO,0,GDB ChEMBL
132281,CC1C(O)CCC2(C)C(C)CCC12,1,GDB ChEMBL
163854,CN1CC2[NH2+]CC(O)C(C1=O)C2(C)C=O,0,GDB ChEMBL
89141,C#CC(C)OCc1ncco1,1,GDB ChEMBL
70810,CC(CCC1CC1)C1=CCC(O)CC1,1,GDB ChEMBL
15516,CCC1CCN2C(C)=[NH+]CC3(CCC3)CC12,0,GDB ChEMBL
147591,NC1CNC(=[NH2+])C(O)CNC1=O,0,GDB ChEMBL
345491,C#CC1=CC(OC)C(C)C1O,0,GDB ChEMBL
47764,CN(C=O)CC1COC2CN(C2)CC1O,1,GDB ChEMBL
86689,C#CC(CC)NC(=O)CC[NH3+],1,GDB ChEMBL
30319,CC(=O)NCC(=O)n1ncc(C)c1N,1,GDB ChEMBL
84558,CCC1(C)CC2CCC=C(C)CC2C1(C)C,0,GDB ChEMBL
305366,CC1(C)CC2=CCCC(O)C(C)(C)C1C2,0,GDB ChEMBL
297233,C#CCCc1ccc(N)cc1C,1,GDB ChEMBL
130252,CCC([NH2+]C1CC1)C(C)(C)COC,0,GDB ChEMBL
339041,C#CC(c1cnn[nH]1)N(C)c1cccnc1,1,GDB ChEMBL
221408,CC(O)C(=O)NC1C(C)C(N)C1(N)C#N,0,GDB ChEMBL
161816,N=c1nconc1CNCCCO,0,GDB ChEMBL
345840,CCC1CC2CCC(C)CC2C2CC=CC12,0,GDB ChEMBL
125690,C[NH2+]CC1CC(O)C=CC(C(=O)C#N)N1,0,GDB ChEMBL
209862,C#CC(CCC(C)(C)C)C(C)CC1CCCC1,1,GDB ChEMBL
345395,C1CC(C[NH2+]C2CC2)C[NH2+]1,0,GDB ChEMBL
374017,CCOC1(CNC(N)=[NH2+])CNC(=O)C1[NH2+]C,0,GDB ChEMBL
141749,CC(C)CC1CC(OC(C)C)C[NH+]=CN1,0,GDB ChEMBL
120549,COC(C#N)(CNC(N)=[NH2+])C1C([NH3+])CC1[NH3+],0,GDB ChEMBL
256034,CC#CCC(C)CC(C#CCC)OCC,1,GDB ChEMBL
53725,C#CC=C(C[NH3+])Cc1ccncc1,0,GDB ChEMBL
61910,CCc1ccc(I)c(CC2CC2)c1,1,GDB ChEMBL
80325,CCC1(O)CC1OCCCC(=O)[O-],1,GDB ChEMBL
199456,CCC(C)C1C2CC3(CC3)CC21,0,GDB ChEMBL
877,C#CCC[NH+](C)CC1CC2(O)CCC1C2,0,GDB ChEMBL
260690,[NH2+]=C1CC(C=O)CC(C(=O)[O-])N1,0,GDB ChEMBL
113537,CCC1C(C)C(C(=O)OC)CC2CC21C,0,GDB ChEMBL
355410,CCCC1C2CCCC#CCC1C(C)CC2,0,GDB ChEMBL
247586,COCC#CCC1=CCCCCC1C,0,GDB ChEMBL
116641,Cc1cc(Cl)ccc1C1C(CC=O)C[NH2+]C1C,0,GDB ChEMBL
305098,CC(C)C(C(=O)[O-])C([NH3+])C(CC[NH3+])CCC[NH3+],0,GDB ChEMBL
367810,Cc1ncc(COC(=O)C(=O)N2CC2)nn1,1,GDB ChEMBL
210234,COC(C(=O)[O-])C1NCC(=N)OCC1[NH3+],0,GDB ChEMBL
76432,CC(C)(C)Cc1cc(C[NH3+])cc2cc[nH]c12,1,GDB ChEMBL
90292,CN(C=O)C1CC1CCC(N)=O,1,GDB ChEMBL
325259,NS(=O)(=O)C(OC1CCC1)C1CCC[NH2+]1,0,GDB ChEMBL
200605,CC1CCC2[NH+]=C(N)NC12,0,GDB ChEMBL
211132,CC1CCCC2CC1C1(C)CCC2(C)C1,0,GDB ChEMBL
151281,Cc1cc2c(I)cc1CCC(C)CCCC2C,1,GDB ChEMBL
338602,CC(Cc1nc(=O)cc([N+](=O)[O-])s1)C(=O)[O-],0,GDB ChEMBL
96035,CNC(=O)C1COC2(C)CC(O)C([NH3+])C12,0,GDB ChEMBL
1484,CCc1cccc(COC(C)C)c1CC(C)C,1,GDB ChEMBL
77840,CC1(C=O)CCN(Cc2cc(Br)ccn2)C1,1,GDB ChEMBL
31100,C#CC(C)C(=O)CC[NH+]1CCC1,0,GDB ChEMBL
381508,CC(Cc1coc([N+](=O)[O-])c1)OC(=O)CN,1,GDB ChEMBL
345789,C[NH2+]C(CN1CC1C#N)C(O)CO,0,GDB ChEMBL
44995,Cc1c(F)cnc(CC(O)CO)c1C[NH3+],0,GDB ChEMBL
180026,CC1([NH3+])CC1NCCC(N)=O,0,GDB ChEMBL
214695,CCC1NC1c1cc(CO)c(Cl)cc1OC,0,GDB ChEMBL
393575,C#CCCCC1(C)C(C)C([NH2+]CC)C1C,0,GDB ChEMBL
201414,CC1CNC(=N)NC(=O)C1(N)C[NH3+],0,GDB ChEMBL
323322,C[NH+]1CC2CC1C2OC(N)=O,0,GDB ChEMBL
99592,[NH3+]CC1COC2C(O)C(=O)OC12,0,GDB ChEMBL
53876,CCN1CCc2c1cc(Cl)c(C(C)C)c2N,1,GDB ChEMBL
1095,O=C([O-])c1csc2c(O)nc(O)nc12,0,GDB ChEMBL
70997,CC=CC12CCCC1[NH+](C)CCC2,0,GDB ChEMBL
280447,CCC(C)(O)C1(C[NH2+]C)C[NH2+]C1,0,GDB ChEMBL
263448,COC(=N)c1cc(C(C)O)c(CC[NH3+])[nH]1,0,GDB ChEMBL
246363,CC#CC1(C(C)(CCC)C(C)C)CCC1,0,GDB ChEMBL
25196,CCC1C2CC(CO)(CC2=O)C1C,0,GDB ChEMBL
358445,CC=C1C2CC(CC)C1(C)CC2C,0,GDB ChEMBL
209667,CC#CCc1cc(I)ccc1C(C)(C)CC,1,GDB ChEMBL
340533,COC(C)CC1C2C=CC1C2,0,GDB ChEMBL
332344,COCCNC(=NCC#N)C(C)(O)C(N)C#N,0,GDB ChEMBL
76405,CC1C2N(C)CC(C(=O)[O-])=CC12[NH3+],0,GDB ChEMBL
150501,CC1C(CC(=O)[O-])CC2OC21C[NH3+],0,GDB ChEMBL
3763,COc1cn(C)c(=O)nc1[O-],0,GDB ChEMBL
13910,C#CC1(C(C)OCCC[NH3+])CO1,0,GDB ChEMBL
112757,CCC(CCn1nc(NC)c(C)c1O)[NH+](C)C,0,GDB ChEMBL
360969,CCCCC1C[NH+](CC)Cc2c(C)[nH]c(C)c21,0,GDB ChEMBL
386211,C#CC(C#C)C1OC(C)C(COC)O1,0,GDB ChEMBL
217157,C#CC1C(C(=O)[O-])C[NH+]=C(NCCC)C1(C)[NH3+],0,GDB ChEMBL
273999,CN(C)c1cnnc2c(F)cc(F)cc12,1,GDB ChEMBL
102169,CC1CC2(CO)CC(=O)OCC2[NH2+]C1(C)C,0,GDB ChEMBL
337778,CCOC(C)(C)c1cc(C#N)c(C)c(C)c1Cl,1,GDB ChEMBL
76957,Fc1cccc2c1C1CC(CC=CC2)C1,1,GDB ChEMBL
121712,Cc1cc(F)c2c(c1)C1CC2CC1C,1,GDB ChEMBL
190139,CNC1(C)C(OC)C(=O)C2CC21C#N,0,GDB ChEMBL
136457,OCC1[NH2+]CCCC2CCNC1=N2,0,GDB ChEMBL
300188,CCC1CC(O)CC(O)(C(C)C)CC[NH2+]1,0,GDB ChEMBL
208565,CC[NH2+]C1COC(=N)C1O,0,GDB ChEMBL
335479,CNC(=O)NC(=N)OC(CO)C(=N)OC(C)C,1,GDB ChEMBL
385916,C=CC(C(C)[NH+]1CCCC1)N1CC1,0,GDB ChEMBL
227277,CNc1c(F)c(C)c(C)c(C)c1OC,1,GDB ChEMBL
116401,NC(=O)n1c(N)nc(N)cc1=O,0,GDB ChEMBL
288137,CC=Cc1ccn(CC2C[NH2+]C2)c1,0,GDB ChEMBL
185282,CC1C2CC(C(O)CO2)C(O)C1[NH3+],0,GDB ChEMBL
363524,[NH3+]CCCCC1C2CC[NH+]12,0,GDB ChEMBL
322922,CCOC(CO)CC1(NC=O)CC1,1,GDB ChEMBL
277549,CC(C)C1CC2CC(O)C([NH3+])C2C1,0,GDB ChEMBL
122675,CCN1CC(C)(C(C)[NH2+]C(C)C)OCC1C,0,GDB ChEMBL
363259,CC(C#N)C1=CCCNC(=O)NC1,0,GDB ChEMBL
226266,COC1CC([NH3+])C2C(O)C[NH2+]C12,0,GDB ChEMBL
287038,O=C(OC(C(=O)[O-])c1cc[nH]c1)C1C[NH2+]C1,0,GDB ChEMBL
278261,CCCC#CCC1CC(C)(C)CC1C(C)C,1,GDB ChEMBL
165595,CCC(C)NC(=O)COC(N)=O,1,GDB ChEMBL
184111,CCCCC1(C)C2C=CCC(C2)C1C,0,GDB ChEMBL
396730,CC1COC(C=C2CCCC2)C1[NH3+],0,GDB ChEMBL
150548,NC(=O)OCC1([NH3+])CC1C(N)=O,1,GDB ChEMBL
296635,CN(C(=N)S(=O)(=O)N(C)C)c1ccccn1,1,GDB ChEMBL
319346,CC(C)C(C)(C)Oc1cccc(Cl)c1,1,GDB ChEMBL
282198,C[NH+](C)C1CC2CC1C(C)(O)C2O,0,GDB ChEMBL
323319,CCN(C(C)=O)C1=NC2C(O)CC[NH2+]C2C1C,0,GDB ChEMBL
835,CC1CC(O)C2(C#N)CN2C1C,0,GDB ChEMBL
190044,CCN1C2CC(C(C)C)CC21c1cccs1,0,GDB ChEMBL
192619,C[NH2+]C1CCC=CC2CCCC=C2CCC1,0,GDB ChEMBL
182492,C#CCC(=O)C1CCC(=O)N1,1,GDB ChEMBL
310295,Cn1nc(N)c2c1C1C[NH+](CCO2)C1,0,GDB ChEMBL
29451,CC1C=CC2C(O)C2OCC[NH+]1C,0,GDB ChEMBL
337166,CC(C)(C)C1(COCCC(=O)[O-])CC1,1,GDB ChEMBL
300660,CC1=CCC(C)C[NH2+]CC(CC2CC2)C1,0,GDB ChEMBL
305507,CCC1=CC=C(C)CCC=CC1C(F)(F)F,0,GDB ChEMBL
296301,[NH3+]CCC(O)C1CC2CCCC3C2C13,0,GDB ChEMBL
210977,[NH3+]Cc1ccc(O)nc1C[NH3+],0,GDB ChEMBL
16475,CCC(O)(CCOC)C(=O)c1nn[n-]n1,0,GDB ChEMBL
105991,C#CCC(C)C(C(C)C)C1CCCC(CC)C1,1,GDB ChEMBL
261190,CC(C)(C)C1C[NH2+]CCC(C2CO2)N1,0,GDB ChEMBL
129809,CC1CC[NH+]2CC(C2)CC2(CCCC2)[NH2+]1,0,GDB ChEMBL
355361,CC1CC2=CC(C(=O)[O-])C([NH3+])C2C1,0,GDB ChEMBL
323985,Cc1ncc(=NC2CC[NH2+]CC2)[nH]n1,0,GDB ChEMBL
204454,C1=[NH+]CCC2C[NH2+]CCC(CCO2)N1,0,GDB ChEMBL
372631,O=C1NCC2(O)C3CC(O)CN1C32,0,GDB ChEMBL
357618,CCCC12CC(C[NH2+]Cc3[nH]ccc3O1)C2,0,GDB ChEMBL
86681,CC#CC1CC2(COC2)CC1=O,1,GDB ChEMBL
351174,CC(C)CCc1c(C(=O)[O-])scc(Br)c1=N,0,GDB ChEMBL
255122,CCC([NH3+])C1NC(=O)C2C1N2C,0,GDB ChEMBL
375537,Cc1cnc(C#N)c(C)c1C1CC1,1,GDB ChEMBL
232120,CCC(C)CC1C=C(C)CC=CC[NH2+]1,0,GDB ChEMBL
7391,[NH3+]CC1OC(C(=O)[O-])C2CS(=O)(=O)NC12,0,GDB ChEMBL
161392,COCC1OC(C(O)CO)C(O)C1[NH3+],0,GDB ChEMBL
383982,CCC1(CCC(C)C)CC(C(C)C)CO1,1,GDB ChEMBL
274394,NC(=O)COC1(CO)C(O)C1O,0,GDB ChEMBL
203779,[NH3+]C1(C(=O)[O-])C2CC1C(=O)N2,0,GDB ChEMBL
84200,CCC1C(O)CC2(O)CC([NH+](C)C)CC12[NH3+],0,GDB ChEMBL
77734,CC(CC(N)=O)C(O)c1nn[n-]n1,0,GDB ChEMBL
274192,Cc1cc[nH]c(=NCC[NH3+])[nH+]1,0,GDB ChEMBL
36027,Cc1c(F)ccc2c1C1CC3CC3C2C1C,0,GDB ChEMBL
304853,O=C1NCCCC1Nc1noc([O-])n1,0,GDB ChEMBL
353561,CN1C(=O)C2OCC1CC2(CO)C(C)(C)C,0,GDB ChEMBL
202532,CC(C(N)=O)C(=O)CC1OCCC(=O)O1,1,GDB ChEMBL
157102,CC1C(C)C1C1CC(N)C(=O)O1,0,GDB ChEMBL
34165,CCC1CCC=CCC2C1=CCC2C,0,GDB ChEMBL
249535,CC12CCC1Oc1cc(O)c(Br)cc1N2,0,GDB ChEMBL
136488,CCC1(OS(N)(=O)=O)CC1C(N)=O,0,GDB ChEMBL
380387,C#CCNC(=[NH2+])C(C)C(N)=O,0,GDB ChEMBL
388427,CCC1CC(C)CC(C)C1(C)CC,1,GDB ChEMBL
260118,C[NH2+]C1COC2CC1(O)C(=O)N(C)C2C,0,GDB ChEMBL
120343,CCC1C(=O)N(CC)C2C(O)C3CC3OC12,0,GDB ChEMBL
390106,CC=C(C(=O)N(C)C)C([NH3+])C1CC1,1,GDB ChEMBL
271078,CC(=O)NCC1(C)OC(=O)C(O)C1=O,1,GDB ChEMBL
298218,CCCC([NH3+])C1CC(C)(O)C(O)C(OC)O1,0,GDB ChEMBL
274235,C#CCCC1CCC(C)CC(C[NH2+]C)C1C,0,GDB ChEMBL
131891,COC1CC2CC(O)C3CC(=O)OC(C1)C23,0,GDB ChEMBL
277577,CCCc1c(OCCOC(N)=O)noc1N,1,GDB ChEMBL
105960,[NH3+]C12CNC(=O)C13CC=CCOC23,0,GDB ChEMBL
81415,CCN(C(N)=O)C(N)=NC1(C=N[O-])COC1,0,GDB ChEMBL
203303,NC(=O)C1(CC2(O)CC2)CCCO1,1,GDB ChEMBL
305210,[NH3+]CCCN1C=[NH+]CCC(O)CC2CCC1C2,0,GDB ChEMBL
314903,CC(=O)C[NH2+]C1(C(C)(C)O)CCC(CO)C1,0,GDB ChEMBL
177267,CC1[NH2+]CCC2(C#N)COC(=O)C12O,0,GDB ChEMBL
377802,C#CCC(C)C1CC(C)C2OCCC12C,0,GDB ChEMBL
104445,C#CCC1C(C)C[NH2+]CC(C)(C)COC1(C)C,0,GDB ChEMBL
338090,OC1CC2CC3CC(C[NH2+]2)C1C3,0,GDB ChEMBL
261222,CC#CCCN1CC1C#N,1,GDB ChEMBL
302627,C=CCC1CC2CC(C1)C(C)(C)C2,0,GDB ChEMBL
18894,O=C1C2CCC3C1CCCN3C2,1,GDB ChEMBL
149319,CC(C)[NH+]1CC=CC2CCC=C(CCC2)C1,0,GDB ChEMBL
101902,COC1C[NH2+]C(CN)CC2(CO2)C(C#N)C1,0,GDB ChEMBL
157458,CC1OC(C)C1([NH3+])CCCC(=O)[O-],0,GDB ChEMBL
391779,CCC1CC=C(C)CC#CCC(C)C1,0,GDB ChEMBL
104407,C=CC1CC1C(=NO)c1ccccc1,1,GDB ChEMBL
109617,CC(O)C(C=O)C(C)C(N)=O,1,GDB ChEMBL
228493,CCc1cc(C[NH3+])c(Cl)c(CC2CC2)n1,0,GDB ChEMBL
233905,Cc1cc(C)c2c3c1CCC3C(C)C2,1,GDB ChEMBL
264003,[NH2+]=C1NC(C2NC2C(=O)[O-])CCO1,0,GDB ChEMBL
105968,[NH3+]CC1CCOCOC(=O)N1,1,GDB ChEMBL
136030,C[NH2+]C1CC(=O)C(C)(O)C1,0,GDB ChEMBL
229426,CCC(C)(O)C1CC(C)C(C(C)C)OC1C,0,GDB ChEMBL
330755,CCCNC(=[NH2+])c1occc1NCC,0,GDB ChEMBL
316287,C#Cc1ccc(C)[nH]cc(C(=O)CC)c(C)c1,0,GDB ChEMBL
387098,C#CC(C(CC=C)OCC)N1CC1,1,GDB ChEMBL
350897,CCCc1cc2c(cc(=O)c1)C(C)CCC2,0,GDB ChEMBL
147278,CC#CC(C)([NH2+]CC)C1CC1,0,GDB ChEMBL
104938,CC1CCC2CCC[NH+]3C2C(C1)C(C)(C)C3C,0,GDB ChEMBL
58501,CC(O)c1ccnc(NC(=O)C=O)c1,1,GDB ChEMBL
126981,CC1(C#N)C(=O)NC(=O)CC=CC1=NO,0,GDB ChEMBL
291862,C=CC1CC1C(O)(CC)CCCC,1,GDB ChEMBL
184650,CCOCC(C#N)c1nc(C)c(OC)nc1N,0,GDB ChEMBL
376026,COCc1cnc2c(c1Br)CCCCC(C)C2,1,GDB ChEMBL
255521,CCC12OC(=O)NCC(O)C1NC2C=O,0,GDB ChEMBL
20766,CCCC1OC(C)c2c1ccc(F)c2C,1,GDB ChEMBL
354446,COC1(C=O)CC1(CCO)C[NH+](C)C,0,GDB ChEMBL
58508,COC1C[NH2+]CC(CC(=O)[O-])C(C)([NH3+])C1,0,GDB ChEMBL
291486,C[NH2+]Cc1csc(C[NH2+]C2CCC(=O)C2C)c1,0,GDB ChEMBL
78302,CC1=NC(COCC2CCC2)C(=O)N1C=N,0,GDB ChEMBL
187210,COC(=O)C(C)Oc1occc1[N+](=O)[O-],0,GDB ChEMBL
242944,O=C1CC(=NO)C2OCCNC1C(O)C2O,0,GDB ChEMBL
173835,CC1(C)Cc2cccc(Br)c2C2CC21,1,GDB ChEMBL
163888,COC(=O)CC1(CO)CN1C=O,1,GDB ChEMBL
342360,CCN1CC(=O)C2(C1)CC2(O)COC(C)=O,0,GDB ChEMBL
383779,C#CC12OCCC1N(C(=O)CC)CCC2C,0,GDB ChEMBL
29744,CC(=O)NCc1nnc(=O)sc1CCO,0,GDB ChEMBL
36211,COC1(C)CC(C)CC2=CCCCCC21,1,GDB ChEMBL
182089,COc1cncn(CC(N)=O)cc(O)cc1O,0,GDB ChEMBL
223974,CC[NH+]1CC(c2cn[nH]c2)C1,0,GDB ChEMBL
32029,CC(C)Oc1cc(C2CCCC2C)ncc1I,1,GDB ChEMBL
385381,CC(C)CC([NH3+])(CO)C1CC1,1,GDB ChEMBL
102116,C1CCC(CCCC2CC3CCC[NH2+]C3C2)C1,0,GDB ChEMBL
195438,C#CCCC1C(=O)C(C)CC1C,1,GDB ChEMBL
257421,CC[NH2+]CCC1NC1C(C)O,0,GDB ChEMBL
47383,CC12CC(CCCCC3CC31)C[NH2+]2,0,GDB ChEMBL
377809,CC#CCCc1c(F)ccc(CC)c1F,1,GDB ChEMBL
117425,O=c1[nH]cc(I)c([O-])c1C1CC1,1,GDB ChEMBL
206956,CC1CC2[NH+](C)C3C=CCC2(C)C13,0,GDB ChEMBL
275476,Cc1n[nH]c2c1C(=N)N(C)C2=O,1,GDB ChEMBL
188502,N#Cc1cc(F)cnc1N=C1CCN1,1,GDB ChEMBL
162544,CCC1[NH2+]C2(C(N)=O)CC1C(O)C2C[NH3+],0,GDB ChEMBL
314100,N#CC1CC1CNC=O,1,GDB ChEMBL
50326,CC12CC(CO)C1NC(N)=[NH+]CC2C(=O)[O-],0,GDB ChEMBL
79614,CC1(c2cnccc2C=O)CC1,1,GDB ChEMBL
246400,COC12CCCC(N)(C([NH2+]CCO)C1)C2C[NH3+],0,GDB ChEMBL
337118,C[NH2+]C12CC(NS(C)(=O)=O)C(C1)C(O)C2O,0,GDB ChEMBL
109165,CNC(=O)CC(CC#N)NS(C)(=O)=O,1,GDB ChEMBL
195558,CCC12CCC=C(C=O)C[NH+](C)C(C1)C2,0,GDB ChEMBL
334613,C[NH+](C)C1C(O)C2OC(C(=O)[O-])C1O2,0,GDB ChEMBL
23534,CC1CC2C[NH2+]CCC2C2CC1CO2,0,GDB ChEMBL
394376,CCOC(CC(C)CC)C(C)(C)COC,1,GDB ChEMBL
23632,CCC(=O)C1=CS(=O)(=O)[N-]C(=O)OC1CO,0,GDB ChEMBL
197492,C[NH2+]C1(C)CN(CCC#N)CC=CC1N,0,GDB ChEMBL
42249,C[NH2+]C1C2CC(O)C(c3cccc(O)c32)C1N,0,GDB ChEMBL
12781,COC(C)(C)C(=N[O-])C(C)(OC(C)=O)C1CC1,0,GDB ChEMBL
323321,COC(C)C1C(C)(O)C1(C)O,1,GDB ChEMBL
140355,[NH3+]CCC12C=CC(CC1O)C2CCO,0,GDB ChEMBL
298087,C[NH+]1CC(O)C2OCCC(O)C21,0,GDB ChEMBL
33889,CC(N)(C[NH3+])C(=O)OC(C#N)CNC(N)=[NH2+],0,GDB ChEMBL
306281,C1=CC2C[NH+]3CCCCCC3(C1)C2,0,GDB ChEMBL
120538,CC(O)(CCO)c1cc(=O)[nH][c-]1C=O,0,GDB ChEMBL
261201,C[NH2+]C1CC2C([NH3+])CC1C21CC1,0,GDB ChEMBL
242628,NC(=[NH2+])NC1CNS(=O)(=O)CCC(N)=[NH+]C1,0,GDB ChEMBL
22597,CC12C3CCC1c1ccc(F)cc1C2C3,1,GDB ChEMBL
242650,NS(=O)(=O)c1cc[nH]c1C(=O)[O-],0,GDB ChEMBL
29202,CCC1CCC2COc3cccc4c3N2C1C4,0,GDB ChEMBL
345844,CC1C=CCN1C(CCCO)C(F)(F)F,1,GDB ChEMBL
58956,COC(C)(CC#N)C(=O)CNC=O,1,GDB ChEMBL
142898,CCCC([NH3+])C(C)C1(C)C2C(O)C[NH+](C)C21,0,GDB ChEMBL
288528,CC(C#N)C1CCOCC1,1,GDB ChEMBL
273687,CC1=CCc2c(O)cccc2C(C)=C1,1,GDB ChEMBL
118689,CCCC1Cc2c(Cl)cccc2C2CC12,1,GDB ChEMBL
264979,CCC(N)(C[NH3+])C(F)(F)F,0,GDB ChEMBL
210981,CC(O)C1C2CC3CC21CC[NH2+]3,0,GDB ChEMBL
21841,CN1CC(=O)Cc2cccncocc2C1,0,GDB ChEMBL
296638,COc1ccc(C)c2c(I)c(C)ncc12,1,GDB ChEMBL
155065,CC1CCC=C2C(=O)NC3C(C[NH3+])C(C1)C23,0,GDB ChEMBL
9819,C1CCC2(CC3CC3)[NH2+]CCCC2C1,0,GDB ChEMBL
197214,CCC1C2C=CCC(C)[NH+](C)CC21,0,GDB ChEMBL
230429,NS(=O)(=O)OC1C(O)CC2CNC(=O)C21,0,GDB ChEMBL
4850,CCN(C=N)C(=O)C(N)CC#N,1,GDB ChEMBL
204169,CCC(CO)(CC(C)[NH3+])[NH+](C)C,0,GDB ChEMBL
134434,CCC1C2=CC(C)C1(C(=O)[O-])CCC=CC2,0,GDB ChEMBL
345418,CC1C2CCC3(C#N)CCCC3C1CC[NH2+]2,0,GDB ChEMBL
185939,N#CC12CC([NH3+])CC1C(=O)N1CC12,0,GDB ChEMBL
713,CC(=O)N1CC2(O)CC(=O)C3CC32C1,0,GDB ChEMBL
2120,O=C1c2ccnc(F)c2CCOCC1O,1,GDB ChEMBL
210194,C=CCCCC(C)CCC(C)C=C,1,GDB ChEMBL
386223,CCCCOC1CC(OC)CC1[NH3+],0,GDB ChEMBL
58929,CCCC#CC[NH+](C)CC1CN1,0,GDB ChEMBL
99438,CCN=C1NS(=O)(=O)CCC(=O)C1NC,1,GDB ChEMBL
379739,COC1CC2CCC(C(C)O)[NH+]2C1,0,GDB ChEMBL
342369,[NH3+]C(C(=O)[O-])c1cc(Br)c([O-])cn1,0,GDB ChEMBL
76748,CC(C)c1cc(=O)n(C)cc1I,1,GDB ChEMBL
148766,CCCC12COCC(C(=O)[O-])C1(C[NH3+])C2,0,GDB ChEMBL
316151,C=C(C)CC(C)(C=CC=CC)OC,1,GDB ChEMBL
337376,CCCC1CC(C)=CC2[NH2+]CC(C)C12,0,GDB ChEMBL
22032,CN1C(=O)OCC(CCC[NH3+])C2=C1COC2,0,GDB ChEMBL
385400,CC1C2CC([NH3+])(CO)C1C(=O)O2,0,GDB ChEMBL
139784,COC1CC(C2CC2)=CC1Cc1ccoc1,0,GDB ChEMBL
18355,CC1C2C3OCC(CCC[NH+]1C)C32O,0,GDB ChEMBL
194773,Nc1ccc(N)c(CO)c1F,1,GDB ChEMBL
34297,N#C[C-]1C(=O)N2C(C#N)C2CNC(=O)C1N,0,GDB ChEMBL
69617,C[NH+]1CC2CC(O)C1c1cc(O)cc(N)c12,0,GDB ChEMBL
392481,C#CC1CC2(CCCC2)CCCC1(C)C,1,GDB ChEMBL
112056,CCCCC1C2C(O)C(OC)C(O)C1S2(=O)=O,0,GDB ChEMBL
115992,C=CC(=CCCC)C(C)(C)CCC,1,GDB ChEMBL
248272,CC1C(O)C(O)C2(O)CN(CC(=O)[O-])C12,0,GDB ChEMBL
206995,C=C1CC([NH2+]CCCCC2CC2)C1,0,GDB ChEMBL
62843,CN1CC(NS(=O)(=O)C(=N)N)CCC1CO,0,GDB ChEMBL
319334,CCCCN(CC)c1cc2n(c1)CC2,1,GDB ChEMBL
210193,C#CCC(C)(C#C)CCc1cc(F)ccc1C,0,GDB ChEMBL
383671,CCCOC1C(C)N(C)C1CO,0,GDB ChEMBL
281677,CCCCC1C=C(C=O)C(C(=O)CC)C[NH2+]1,0,GDB ChEMBL
340123,CCC1N2CC(O)CC[NH2+]CC1(N)C2,0,GDB ChEMBL
324272,CC1CC2C(OC3C(O)C23)C(=O)NC1C[NH3+],0,GDB ChEMBL
398203,C#CCC1CCC(CC)CCCC1C(C)(C)C,0,GDB ChEMBL
354470,O=Cn1cnc2cnccc21,1,GDB ChEMBL
76803,CC1(C[NH3+])C2C(C(N)=O)NC(N)=[NH+]C21CO,0,GDB ChEMBL
98516,Cc1ncc(C23CC(C2)OC3C)cc1F,0,GDB ChEMBL
338642,CC1N(CCO)C(=O)C2C(O)C(O)C21[NH3+],0,GDB ChEMBL
390489,NC(=O)CNC12CS(=O)(=O)NC1C2O,0,GDB ChEMBL
234872,CC#CCNc1cc(Cl)ccc1C,1,GDB ChEMBL
48706,CCCc1cc(=O)ccc(-c2ccccc2)n1,1,GDB ChEMBL
234914,C#CC(O)(C#C)CC(C)OCC(O)C[NH3+],0,GDB ChEMBL
310763,CCC(C)(C[NH3+])C(=O)Nc1ccnnc1,1,GDB ChEMBL
115769,CCc1cc(C)cc(C2CC2)c1CC,1,GDB ChEMBL
257522,COC(C)C(CN)[NH+]=CNCC(C#N)CN,0,GDB ChEMBL
286283,CC1CCCCC2(C)CCC1C(C)C2,0,GDB ChEMBL
394244,CCc1ccc(O)c(O)c1I,1,GDB ChEMBL
1964,C[NH2+]C(CC1C(O)CC(C)CC1(C)[NH3+])C(N)=O,0,GDB ChEMBL
98656,CC1=CC2CC1C1CCC(C1)[NH+]2C,0,GDB ChEMBL
201089,C#CCC(C)Cc1cc(C)c(O)cc1C,1,GDB ChEMBL
215478,CCC1(C)CCCC(C)(CCC[NH3+])C[NH2+]1,0,GDB ChEMBL
48030,CC1(C)CC=CC1CCCO,0,GDB ChEMBL
342572,Cc1cc2c(c(F)c1N)OCO2,1,GDB ChEMBL
48748,N=C1NC(=O)NC2=NCC=CC(=O)N12,1,GDB ChEMBL
181641,Cc1cc(O)cc2[nH]c3c(C)ccc3c2c1O,0,GDB ChEMBL
136566,NCC[NH2+]CCCC[NH3+],0,GDB ChEMBL
153723,CC1OCCC1CC(O)c1cc(=O)ncn1C,1,GDB ChEMBL
305076,C[NH2+]C1C(O)C(O)C1NCC(N)=O,0,GDB ChEMBL
296095,CCC1CC2CCCC(C)(C2)C(CC)C1,0,GDB ChEMBL
132233,CCC[NH+](C)C(C)CC,0,GDB ChEMBL
234209,CCCn1c(C#N)nc2sc3c(c21)C[NH2+]C3,0,GDB ChEMBL
4958,CC12NC(C(CO)OC1=O)C2S(C)(=O)=O,0,GDB ChEMBL
104422,[NH3+]C1c2ccc(Br)cc2CC2C3CC3CC12,0,GDB ChEMBL
151686,Fc1cc(F)c2c(c1)CCC1C=CC2C1,1,GDB ChEMBL
68477,C[NH+]1CCC2C(=O)OCC3C2C31C,0,GDB ChEMBL
214885,C=Cc1c(C)cccc1CCCC,1,GDB ChEMBL
219563,CCCCCCC(C)C#CC(C)CC,0,GDB ChEMBL
119290,Cc1c(N)cc(F)c2c1C=N[N-]S2(=O)=O,0,GDB ChEMBL
169477,C#CC(=O)C(C)CCCCO,1,GDB ChEMBL
398771,Fc1ccccc1C1CC2C=CC3C2C13,1,GDB ChEMBL
83150,CNC(=O)c1c(CCC[NH3+])sc2nncn12,0,GDB ChEMBL
352616,Cc1c[nH]nc1CC(=O)NC(=O)CCO,1,GDB ChEMBL
48475,O=C([O-])C1NC(=O)C2(C3CN3)OC12,0,GDB ChEMBL
122692,NC(=[NH2+])CC(C[NH3+])C(=O)NC=O,0,GDB ChEMBL
28315,N=C(N)N1C(=O)C2C(CO)[NH2+]CC21,0,GDB ChEMBL
305087,CCCC1C2CCCC(C)C12,1,GDB ChEMBL
358228,C#Cc1c(C)cc(CC)ccc(C)sc1C=O,0,GDB ChEMBL
196735,CCCC(=O)NC1(C)CC[NH2+]CC(=N)OC1,0,GDB ChEMBL
217678,COC(C)CC(C)C1CC(O)C1,1,GDB ChEMBL
13802,CCC1CC(C)N(C(=O)CO)C1C,0,GDB ChEMBL
267879,COC1CC2(O)CN3C(C(N)=O)CC1C32,0,GDB ChEMBL
43565,COC(=O)C1C(OC)CN1C=O,1,GDB ChEMBL
384300,CCc1nc(N)c(CC=O)c(=O)[nH]1,1,GDB ChEMBL
61000,CNC(COC)(C(N)=O)C([NH3+])C(O)C(O)C[NH3+],0,GDB ChEMBL
29629,CC1CC(=O)CC12C=CCC[NH2+]C2,0,GDB ChEMBL
205807,O=C([O-])C(=O)COC(=O)c1cnc[nH]1,0,GDB ChEMBL
148385,CCC#CCC[NH2+]C1CCC(O)C1,0,GDB ChEMBL
118441,CCC(=O)C1=CCCC2COC(OC2)C1O,1,GDB ChEMBL
389605,C[NH2+]C1CCC=C1n1cc(C[NH3+])c(OC)c1,0,GDB ChEMBL
80446,CC(=O)N1CCC=CC(CC#N)CC1,1,GDB ChEMBL
192550,CC1CNC(=O)C(C)NC(=O)C1=O,1,GDB ChEMBL
225814,N=C1OC(=O)CC(NC(N)=[NH2+])C(O)C1O,0,GDB ChEMBL
40229,C[NH2+]CC(C)NC1C(CO)OCC1(C)[NH3+],0,GDB ChEMBL
340151,C#CC(C)n1nccc1NC(C)C,1,GDB ChEMBL
298032,CC(C)([NH3+])CCCC1(CC2CCCO2)CC1,0,GDB ChEMBL
70784,N#CC1CC(O)C2(C(N)=O)C(C(=O)[O-])N12,0,GDB ChEMBL
118823,CC1[NH2+]CC2(C[NH+](C)C)CC1C2(C)C(N)=[NH2+],0,GDB ChEMBL
363021,CCC(CC)CC1CCC(C)=CC(C)(C)C1,1,GDB ChEMBL
24047,N#CC1C(C(=O)[O-])C1C(O)C(N)=O,0,GDB ChEMBL
384244,C#CCC(C)CC1(CC)CCOC(CCC)C1,0,GDB ChEMBL
47811,C#CC1(COC)CCCC1[NH2+]C,0,GDB ChEMBL
64609,C=CCc1[nH]c(C#N)cc1C(N)=[NH2+],0,GDB ChEMBL
398843,CCc1ncc(N)c(C)cn(C)cc1O,0,GDB ChEMBL
132698,CC1=C2C=CCCC2(O)c2ccc(Cl)cc21,0,GDB ChEMBL
243397,CC12c3cc(F)ccc3NC1C1C[NH+]2C1,0,GDB ChEMBL
66173,CC(=O)C1(O)CNC(C#N)C1O,0,GDB ChEMBL
149974,CC1(C)NC12CCCNC(=O)C2,0,GDB ChEMBL
354339,C#CC1=CC(C(C)CCC)C(C)(CC)C1,0,GDB ChEMBL
147589,CC1CC(C)C2(CS(N)(=O)=O)NC(=O)NC12,0,GDB ChEMBL
195351,NS(=O)(=O)CC(=O)N1C2COC(=O)C21,1,GDB ChEMBL
89105,C#CCC(CCC)C1(C(F)(F)F)CC1,0,GDB ChEMBL
61489,Cc1c2c(nn1CCO)OC(C=O)C2,1,GDB ChEMBL
128336,COC(C)C1=CNCCC1=O,1,GDB ChEMBL
129794,CC(=O)C1=CC(O)CCCCCCC1,1,GDB ChEMBL
278204,Cc1ccc(=O)n(CC(C)([NH3+])C(N)=O)n1,1,GDB ChEMBL
258329,Cc1noc(C)c1C1CC[NH2+]C1,0,GDB ChEMBL
112627,CCN(C(=O)NC(N)=O)C1C(=O)NCC1[NH2+]C,0,GDB ChEMBL
118702,COC1C(=O)C(C(N)=O)C(O)(C(C)=O)C1C,0,GDB ChEMBL
330331,CC([NH3+])CNC(=O)c1ncn[n-]1,0,GDB ChEMBL
54052,CCCCOCC1(C(C)CC)CC1,1,GDB ChEMBL
254209,NC(=O)NCC([NH3+])Cc1c[nH]c(C(O)CO)n1,0,GDB ChEMBL
33284,O=C(NC1C[NH2+]C1)c1cc(O)n[nH]1,0,GDB ChEMBL
247608,O=C1NCC2CC(O)C(O)C1OCO2,0,GDB ChEMBL
352593,COC(C)C1[NH2+]CC1(CO)N1CC1,0,GDB ChEMBL
258199,CC([NH3+])C1NC(=O)OC(C(C)O)C1NCC[NH3+],0,GDB ChEMBL
372712,CNC(=[NH2+])Nc1cc(=O)cc(N)nc1CC[NH3+],0,GDB ChEMBL
174793,COC(C)(C)C1=CC(=O)C(O)C1,0,GDB ChEMBL
358263,C[NH2+]CC(O)C(C)[NH2+]C(CC[NH3+])CCC(N)=O,0,GDB ChEMBL
179128,CCCC12C=C(CO)CC(CC)CC1O2,0,GDB ChEMBL
227794,CC1CC=C(Cc2cc(Br)cc(Br)c2)C1,1,GDB ChEMBL
75400,N=C1CC(CC(=O)[O-])C(=[NH2+])N1,0,GDB ChEMBL
29239,C#CC(C)(C#C)CC(C)[NH2+]CC,0,GDB ChEMBL
49122,C#CC(C#C)C1C[NH+](C)C(CC)C1C(O)C[NH3+],0,GDB ChEMBL
83497,CC(CO)NC1C(=O)OCC[NH+]=C1N,0,GDB ChEMBL
383037,C#CC1C(=NCC(=O)[O-])NC1CO,0,GDB ChEMBL
174892,CCC12CC=CC(C[NH+]3CCCC31)C2,0,GDB ChEMBL
284414,C[NH2+]C1C(O)C1CNC(N)=O,0,GDB ChEMBL
276034,CCC[NH2+]CC1CCC(NC)=[NH+]1,0,GDB ChEMBL
274905,CC[NH+]1CCC2C(O)C3C=CCCC3C2C1,0,GDB ChEMBL
348685,N#CC(C(=O)[O-])c1ccc(N)s1,0,GDB ChEMBL
390136,COc1c(CCO)noc1[N+](=O)[O-],0,GDB ChEMBL
179170,NC(=O)NC(C=O)CS(N)(=O)=O,1,GDB ChEMBL
185306,NC1CNC(=[NH2+])NCC1OCCO,0,GDB ChEMBL
157719,Nc1cc(=O)ccc(=[NH2+])cc1C[NH2+]CC(=O)[O-],0,GDB ChEMBL
56673,CC(=[NH2+])NCC1CC(O)C=C1C[NH3+],0,GDB ChEMBL
169400,CC1CCC=CCCCC(C)[NH2+]1,0,GDB ChEMBL
316136,CC(C[NH3+])C(O)C12C[NH2+]C1C(O)CC(=O)O2,0,GDB ChEMBL
132332,C#CC#CCC1CCC[NH2+]1,0,GDB ChEMBL
18653,NC1=NC23CC2[NH2+]C(C(=O)[O-])C3O1,0,GDB ChEMBL
26441,CC1OC(=N)N2CC(O)C(O)C(O)C12,0,GDB ChEMBL
308299,Cc1nc[nH]c(=O)c1[O-],0,GDB ChEMBL
289456,C[NH2+]CCC1C(C)NC(C#N)C(C(N)=[NH2+])C1O,0,GDB ChEMBL
95916,CCCc1c(C)cc2c(c1F)CC(C)(C)C2,1,GDB ChEMBL
99619,CC1[NH2+]CC(O)C1C(=O)NCc1cccs1,0,GDB ChEMBL
58977,CN(C)c1ncc(Cl)c(N)n1,1,GDB ChEMBL
200969,C[NH2+]CCCN1C(C=O)C1C(C=O)C(C)O,0,GDB ChEMBL
184655,CCCC1(C)CC2(CCCC1CC)CC2,0,GDB ChEMBL
113597,CC1=CC2c3cc(Cl)ccc3CC23CC13,0,GDB ChEMBL
64626,C#CC1CCC(CC)C(C(C)(C)CC(C)[NH3+])C1,0,GDB ChEMBL
391610,O=C1NCC2OC1C1[NH2+]C(CO)C(O)C1O2,0,GDB ChEMBL
160832,NC(=O)c1nc(=O)c(C=O)cs1,0,GDB ChEMBL
78624,CCC1C(C)COCC1OC,0,GDB ChEMBL
204621,CCOC(=O)NC12CCC(C[NH3+])=CC(C1)C2,0,GDB ChEMBL
73845,CN(CCc1nc(N)nn1C)C(N)=[NH2+],0,GDB ChEMBL
235959,CC([NH3+])CN1CC2OC(=O)C1C2(C)C[NH3+],0,GDB ChEMBL
243935,CCC(C(C)C)C(C)C([NH3+])CC1CCC1,0,GDB ChEMBL
205957,[NH3+]CC1CNC(=O)CNC(=O)N1,0,GDB ChEMBL
179294,[NH3+]CCCCn1cnc(CCO)c1,0,GDB ChEMBL
395143,CC1(O)CC(OCC(=O)[O-])C2NC21,0,GDB ChEMBL
40260,C#CC(C(=O)[O-])C1CC[NH2+]C1C(C)O,1,GDB ChEMBL
117361,NC(=[NH2+])NC1(CS(N)(=O)=O)C(N)CC1O,0,GDB ChEMBL
21900,CC1C(C)N1C(CO)C(N)=O,0,GDB ChEMBL
380339,COc1nc(O)cccc(C)oc1CC(=O)[O-],0,GDB ChEMBL
18655,CC[NH2+]C(C)(C)CC(C)(CO)CC(C)(C)C,0,GDB ChEMBL
94739,C#CCN1CC2[NH2+]CCC2C1C(C)[NH3+],0,GDB ChEMBL
395925,CCC(C)C1CCC12CCC=CCC2,0,GDB ChEMBL
22820,N#CC1CC2OC(=O)C2C(=N)N1,0,GDB ChEMBL
356808,CC(C)[NH2+]C(C)C1C2CCC21,0,GDB ChEMBL
251074,CCCC(C)CCCc1cccc(C(=O)[O-])n1,0,GDB ChEMBL
257989,[NH3+]C1C2CC(C1C(=O)[O-])S(=O)(=O)N2,0,GDB ChEMBL
379676,NS(=O)(=O)CC1CC(C(=O)[O-])C1[NH3+],1,GDB ChEMBL
112410,CC(CCCO)C1OC1C#N,1,GDB ChEMBL
358805,CCc1ccc2c(c1)C(C)C1C(C)C21,1,GDB ChEMBL
225346,CNC(=O)C(O)C1(C(N)=[NH2+])CC1N,0,GDB ChEMBL
120701,CC1CC2CCCCC3(CC3)CC1(C)C2,0,GDB ChEMBL
35436,NC(=[NH2+])N1C2C(O)C(C(=O)[O-])OCC21C=O,0,GDB ChEMBL
233901,COCCCC1C(C)[NH2+]C(C)C2CC12C,0,GDB ChEMBL
195361,C[NH2+]C(C=O)CC(O)C(=O)COCCCOC,0,GDB ChEMBL
184661,CCC1OC2(CC2)C(CO)N(C)C1C=NO,0,GDB ChEMBL
136681,CC(CO)C1C[NH2+]C2CC1OC2S(N)(=O)=O,0,GDB ChEMBL
98518,C#CC(=O)c1ccc(Br)cc1C(C)C1CC1,1,GDB ChEMBL
141933,CCC(O)C(C)(C)[NH2+]CC(C)(C)O,0,GDB ChEMBL
273972,CCCC1CCC(C)(C)[NH2+]CCCC1C,0,GDB ChEMBL
77264,COC1C(=O)OC(C)CC1C[NH3+],0,GDB ChEMBL
221722,COC1CN(C2C(C#N)C2C[NH3+])C1,0,GDB ChEMBL
203276,CC(C)(C[NH3+])C1COC1,0,GDB ChEMBL
210757,Cc1cc(F)c2c(c1F)C(C(C)O)CC2,1,GDB ChEMBL
147993,CC[NH2+]C1CCCC2C(CC)C12,1,GDB ChEMBL
276329,CNCC1[NH2+]CC1CC1CC1,0,GDB ChEMBL
235180,CC1CCN2C(CS(N)(=O)=O)C12,0,GDB ChEMBL
339099,CC1NCC2C(=O)NC1CNS2(=O)=O,0,GDB ChEMBL
309158,C=CCC(OC)C(O)C(O)C(=O)[O-],1,GDB ChEMBL
109714,C#CC(OCC)c1cc(N)c(C)c(O)c1,1,GDB ChEMBL
111484,CC[NH+](C)C12C(=O)NCCC1(C)C2(C)C,0,GDB ChEMBL
22065,CC#CC(C(N)=O)S(=O)(=O)NC,0,GDB ChEMBL
308169,CCC1OC2CC(N)=[NH+]C1C(O)C2O,0,GDB ChEMBL
196504,CC1C=CC#CCCCC=CC1,1,GDB ChEMBL
315171,NC(=[NH2+])NC12COCCC1C2O,0,GDB ChEMBL
256134,CCN(C)C12C(=O)OC3C(CC1[NH3+])C32O,0,GDB ChEMBL
61759,CC(O)C1[NH2+]C(C(=O)[O-])C1C[NH3+],0,GDB ChEMBL
116394,CC1CC2[NH2+]C2CC(C[NH3+])C1O,0,GDB ChEMBL
208399,C#CCC1OCCN(C(=O)C(C)O)C1=O,1,GDB ChEMBL
366479,CC=CC#CC(O)CNC(=O)NC,1,GDB ChEMBL
345779,CC1COCCC1(C)C,1,GDB ChEMBL
48173,CN1CCCc2c(C[NH3+])c(C#N)cc(Br)c21,1,GDB ChEMBL
41332,O=C1NC2CC3OC1C2CC3O,0,GDB ChEMBL
184114,CCC[NH+]1CCC2CCC1C(C[NH3+])C2(C)O,0,GDB ChEMBL
215727,COC1CCC1(OCC1CC1)C(C)C,1,GDB ChEMBL
28222,C#CC1C(OCCC[NH3+])C1C(C)C,0,GDB ChEMBL
258685,COC(C(C)O)C1C[NH2+]CC([NH3+])C1,0,GDB ChEMBL
7771,N#CCC(=O)N1CCCC2CC(O)CC1C2=O,0,GDB ChEMBL
116037,CCC1(C)CC2CCCOC2C1,0,GDB ChEMBL
230485,C#Cc1cc(Cl)cc(C(CC)C(C)C)c1C#C,1,GDB ChEMBL
174014,CCOc1c(I)cc(N)cc1CCCCC#N,1,GDB ChEMBL
227511,CC1CCc2cc(O)cc(Br)c2N1,1,GDB ChEMBL
286286,CC([NH3+])C#CC1CCCOC1,0,GDB ChEMBL
259382,CC(C)C1CN(C)CC(=O)CC[NH2+]1,0,GDB ChEMBL
189746,COC1C2NS(=O)(=O)C1C(C(N)=O)C2O,0,GDB ChEMBL
5325,N=C(N)N(CC[NH2+]CC(N)=O)C(=O)C=O,1,GDB ChEMBL
165261,N=C(NC(=O)C1N=C(N)C(O)C1O)OCCO,0,GDB ChEMBL
341289,Cc1cc(Cl)cnc1C1(C)CC(C)(C)[NH2+]1,0,GDB ChEMBL
180856,Cc1cc2ccc1C#CC1CCC(=CC2)C1,0,GDB ChEMBL
273412,CCC(C)c1cc(Cl)cnc1C,1,GDB ChEMBL
156161,CCOC(=O)NC(=N)C(O)CCC[NH2+]CCN,0,GDB ChEMBL
284877,C[NH2+]C1Cc2cnc(NC=O)cc2C1,0,GDB ChEMBL
288140,CC(C)CC1CN(C(=O)CCO)C(C(C)C)=N1,0,GDB ChEMBL
170429,COCc1cc(S(N)(=O)=O)c(=O)[nH]n1,1,GDB ChEMBL
285556,CC1CC2C(C[NH3+])C(C)CC(C(F)(F)F)C2O1,0,GDB ChEMBL
288721,CCN1CC(=NCCO)NC(=O)CC1=O,0,GDB ChEMBL
155815,CC1=CCCCC2C=C(C)CC2CC1,0,GDB ChEMBL
214900,CC[NH2+]CC(N(C)C)C(C)(C#N)CC[NH3+],0,GDB ChEMBL
337812,CC1CC[NH2+]C(C)C1(CC[NH3+])C1CC1,0,GDB ChEMBL
81401,CC1(CC(=O)[O-])OC(=[NH2+])NCC1O,0,GDB ChEMBL
305529,CC1CCN2CC2C2(C)COC(C)C12,0,GDB ChEMBL
358457,C#CC1CC(C)CC2C(C)C1C1CCC[NH+]21,0,GDB ChEMBL
222911,C#CCC([NH2+]CC)C(C#C)CC1CC1,0,GDB ChEMBL
347964,CN1CC2(O)C([NH2+]CC2(C)N)C(O)CC1=O,0,GDB ChEMBL
281944,CC#Cc1cc2c(n1C)CCC(C)(C)C2,1,GDB ChEMBL
331705,CC(=[NH2+])NC1CCC(=O)C=C(C(C)C)C1,0,GDB ChEMBL
375449,N#CCC(C(N)=O)N(C=O)C(=O)NC=N,1,GDB ChEMBL
126980,C#CC(C)(CC)c1ccc(C2CCCC2)cc1,1,GDB ChEMBL
226268,CCC#CC(=O)NCC(C)(O)C[NH2+]CCN,0,GDB ChEMBL
337998,COC(=O)C(OS(N)(=O)=O)C1CC1OC,1,GDB ChEMBL
305540,CC1C=CC2CC2C=CC1CC1CCC[NH2+]1,0,GDB ChEMBL
320490,COC1OC(=O)C2OC(C[NH3+])C(O)C12,0,GDB ChEMBL
308016,N#CC(N)CNC1=NCC(C(=O)[O-])O1,0,GDB ChEMBL
153286,N#CC(NCC([NH3+])CO)C(N)=[NH2+],0,GDB ChEMBL
151249,NC(=O)C1CC2CNC(N)=[NH+]C(CO1)C2,0,GDB ChEMBL
26049,Cc1sc(CO)cc1N(C)C(=O)C[NH3+],0,GDB ChEMBL
262345,C[NH2+]Cc1c[nH]c(=O)c(C(CO)OCC[NH3+])c1,0,GDB ChEMBL
121998,N#CCCOCC(N)C[NH3+],0,GDB ChEMBL
290100,Cc1scnc1OCC(C)C[NH3+],1,GDB ChEMBL
398964,CCC1C(C)C(C)C2CCCC1[NH+]2C,0,GDB ChEMBL
28163,Cc1ccc(S(=O)(=O)[O-])cc1O,1,GDB ChEMBL
144505,Cc1cc(F)cc(C2C=CCC(C)C2)c1,1,GDB ChEMBL
190467,CC[NH2+]C1CCC2OC(C[NH3+])C1O2,0,GDB ChEMBL
124792,CC1CC(CO)C2(C)CCC=CC12,0,GDB ChEMBL
151691,CC1C2CCCC(C2)C2CCCCC2(C)C1C,0,GDB ChEMBL
21855,CC1CCC=CC2C1C(C[NH3+])OCC21CC1,0,GDB ChEMBL
122856,COCC1COC(=O)CC(CO)OCCCO1,1,GDB ChEMBL
355801,Cn1ccc(O)nc2c(nc1)CCN2,0,GDB ChEMBL
141839,COC1CC(C)COC2CC12,0,GDB ChEMBL
194401,COC1C(=O)CCN(CCO)C1=O,1,GDB ChEMBL
304391,C#CC(CC(F)(F)F)[NH+](C)CCC1CC1,0,GDB ChEMBL
136534,CC(C(=O)N1CC1)N1CC1,1,GDB ChEMBL
149422,CC1CCC(C(=O)[O-])C[NH2+]1,1,GDB ChEMBL
148395,C1=[NH+]C2(CC2)CN1CCc1cccs1,0,GDB ChEMBL
194493,CC12CC([NH3+])CC(CO1)C2C(=O)[O-],0,GDB ChEMBL
361193,C#CC1C=C(C(C)CCCCC)C(C)(C)C1,0,GDB ChEMBL
2367,C#Cc1cc(CO)c(C[NH3+])c(CCC)c1Br,1,GDB ChEMBL
140119,Cc1cccc(C2(CO)CC2)c1,1,GDB ChEMBL
340120,C#CC1CC1(C#C)c1cccc(CC)c1Cl,0,GDB ChEMBL
137451,COC(=O)CNC1C2C([NH3+])C(C)OC12C,0,GDB ChEMBL
81405,CCC1CC2CCC1C=C2C1CCOCC1,0,GDB ChEMBL
110222,C[NH2+]CCC1(C(N)=O)CC(=NO)CC(=O)O1,0,GDB ChEMBL
352870,C#Cc1c(Cl)cccc1C(C)C(C)(C)CC,1,GDB ChEMBL
95501,CC(C)CC(C[NH2+]C(C)C)c1cccc(F)c1,0,GDB ChEMBL
394895,CCn1c(OS(N)(=O)=O)cccc1=O,1,GDB ChEMBL
131923,CC1=CCc2c(C)cccc2C=C1,1,GDB ChEMBL
254919,CC([NH3+])C1(CN(C=O)CC(=O)[O-])COC(=O)N1,0,GDB ChEMBL
210213,C#CCc1ccc2c(c1)NCC1(C)CCC2C1,1,GDB ChEMBL
237986,CC(=O)C(NC(N)=O)C(O)C(O)C(O)C(C)O,0,GDB ChEMBL
352645,CC(C)C1[NH2+]C(C)C2CCCC2(C)C1=O,0,GDB ChEMBL
92293,[NH3+]C1C2CNC3C(NC(=O)CO2)C13,0,GDB ChEMBL
175862,CC(=O)Nc1c[nH]nc1[O-],0,GDB ChEMBL
207288,CCOC1CC(C)=CC1=O,1,GDB ChEMBL
18633,C[NH2+]CCC1C2CC3C1CC23,0,GDB ChEMBL
132546,CCCc1cccc(CC(C)(C)C)c1OC,1,GDB ChEMBL
147559,CC1(CNc2ncncc2O)CO1,1,GDB ChEMBL
356523,Cc1ncc(C#N)c(C#N)c1C,1,GDB ChEMBL
107659,CCC1([NH3+])C(O)C(C)C1(COC)N(C)C,0,GDB ChEMBL
136124,CCCC1(C)CC(CC)C[NH+]1C,0,GDB ChEMBL
129614,C#CCCOC(C)(CNC(=O)NC)C(C)=O,1,GDB ChEMBL
149351,CCCNS(=O)(=O)CC(=O)c1ccc(C)s1,1,GDB ChEMBL
155146,CCCC(C)C1=CC=CCCCCC1,1,GDB ChEMBL
395602,CCCCCC1CC2CC2C1CC,1,GDB ChEMBL
368198,[NH3+]CCC1OC(=O)N2CC2C1O,0,GDB ChEMBL
302294,CC1C(O)CNC(=O)C(O)C([NH3+])COC1CO,0,GDB ChEMBL
297012,C#CC(C)(O)CC#Cc1cccc(C)c1Br,1,GDB ChEMBL
116610,CC(=O)CCCC(CO)CC#CCCO,0,GDB ChEMBL
290323,C[NH+]1CC(CO)CN2C(C1)C2C(=O)[O-],0,GDB ChEMBL
315164,CC1NC(N)=[NH+]CC(N)(C([NH3+])C(=O)[O-])C1O,0,GDB ChEMBL
297023,CC(C)C(=[NH2+])NCC(C)(C)OCC(F)(F)F,1,GDB ChEMBL
202518,CCCC1(CCC)C=CC(OC)C1=O,1,GDB ChEMBL
231116,CC(O)C1(C(N)=O)CCNC(=[NH2+])N1,0,GDB ChEMBL
358601,COc1coc2ccc(N)nc(=O)c12,0,GDB ChEMBL
210294,C[NH2+]CC1(C=O)C2CC2CCC1[NH+](C)C,0,GDB ChEMBL
338307,CCCCC1(C)C(O)C2CC1[NH+]1CCC(=O)C21,0,GDB ChEMBL
134450,COCC(C)Nc1cccc2c1C(=N)NC2=O,1,GDB ChEMBL
298072,CCCC12CC(C)(C)C(C(C)[NH2+]1)C2C[NH3+],0,GDB ChEMBL
386205,CC1(CS(=O)(=O)[O-])COCCOC1C(N)=O,0,GDB ChEMBL
342401,CN(C)C1C(O)CC(=O)C1C(N)=[NH2+],0,GDB ChEMBL
24527,CCCC1(CO)CC(O)C(=O)O1,1,GDB ChEMBL
249874,CCC1CC2C[NH+](C)C3C(O1)C23,0,GDB ChEMBL
98645,Cn1c[nH+]c2c1NCC(C)(O)C(=O)NC2,0,GDB ChEMBL
259137,CC1CC(C[NH3+])C(C)C(C)[NH2+]1,0,GDB ChEMBL
186731,CCCn1cnc(NCCC(=O)N(C)C=O)n1,1,GDB ChEMBL
291860,CCCCCC1CCC=C(C2(C)CC2C)C1,0,GDB ChEMBL
191551,NC(=O)C1NC2C([NH3+])C1C2NCCO,0,GDB ChEMBL
70151,C#CCC(C#N)C(CCCC)n1cccc1,1,GDB ChEMBL
349997,[NH3+]CC1(NCC(=O)[O-])C2OCOC21,0,GDB ChEMBL
227777,Cc1c(I)cccc1C1CC2([NH3+])CC([NH3+])C1C2,0,GDB ChEMBL
120546,CCC(C1CC2(C)CN1CCO2)S(C)(=O)=O,0,GDB ChEMBL
119871,C=CCC(C)C1C(C#N)C1CCC,1,GDB ChEMBL
194535,O=C(CCO)CCOCC1CC1,1,GDB ChEMBL
115763,C[NH2+]C1C([NH+]=C(N)N)C(O)C1C(=O)[O-],0,GDB ChEMBL
42271,NC(=[NH2+])C(CCC(O)CC(=O)[O-])=NO,0,GDB ChEMBL
203756,CC(=O)Cc1c[nH]c(=O)n1CC(N)=O,1,GDB ChEMBL
97078,CCC1[NH2+]C(C)C2C(CC(C)C)C12,0,GDB ChEMBL
300501,Cc1ccc2cc(F)cc(F)c2c1C(C)(C)C,1,GDB ChEMBL
247555,C[NH2+]Cc1c(Cl)cnc(=N)n1CCC(O)CO,0,GDB ChEMBL
362658,CC(CO)C(C)N=C1NCC(O)CO1,1,GDB ChEMBL
157384,CCCC12C=C(C)CC(CCC1)CC2C,0,GDB ChEMBL
157071,CCC[NH2+]C1C(C)CC2([NH3+])C(C(=O)[O-])C12,0,GDB ChEMBL
174060,CC1C(=O)OC(C2COC2)C1(O)C(=O)[O-],0,GDB ChEMBL
97777,N#CC1CCN(C(N)=O)CC(=NO)C1=O,0,GDB ChEMBL
20730,CC1C[NH2+]C2CC2CC(O)CC(C[NH3+])O1,0,GDB ChEMBL
306404,CC1CCCC(C)C2(C)CCC=CC2C1C,0,GDB ChEMBL
345833,C#Cc1cc(Br)cc2c1CC1CC=CC21,0,GDB ChEMBL
39808,CCC(C)C(C)(C)OCC[NH3+],1,GDB ChEMBL
304882,CCC1(CC)CC2CC(C)(C)C(C[NH2+]C)C2C1,0,GDB ChEMBL
199429,C#CCc1c(Cl)ccc(CC)c1CC,1,GDB ChEMBL
272525,C=CC(C)C1(C(C)[NH2+]C)CCCC1,0,GDB ChEMBL
365762,COC1CC(=O)OC2COCC(O)(C2)C([NH3+])C1,0,GDB ChEMBL
64050,CC1CCC(O)CC[NH+](C)CC(N)C1[NH3+],0,GDB ChEMBL
392257,CC1COC(C#N)C1(O)CC(O)CC[NH3+],0,GDB ChEMBL
395121,CC1(C)CC2CC=CC3CCCC[NH2+]C1C32,0,GDB ChEMBL
265532,CN(C(=O)C(N)=O)c1csc([N-]S(C)(=O)=O)n1,0,GDB ChEMBL
202031,N#Cc1cnc2cnc(N)nc2cncs1,0,GDB ChEMBL
95229,CCC(=O)NC1CC1OC1(C)CC=CC1,1,GDB ChEMBL
147279,CCCC(C#N)(CN)CC(O)S(N)(=O)=O,0,GDB ChEMBL
337777,CCCCC1CCCC(CC)(C(C)(C)C)C1[NH3+],0,GDB ChEMBL
195195,CC1CC=C2CCCCCCC2(C)C(C)C1,0,GDB ChEMBL
122956,C[NH2+]CCC([NH3+])(CO)CC1C[NH2+]CCO1,0,GDB ChEMBL
131675,CC1(Cc2cnc[nH]2)CC(O)C1,1,GDB ChEMBL
384806,CC#CCC1(CC)CCC=CCCC1,0,GDB ChEMBL
337775,N=CNC(=O)CNc1ncncc1N,1,GDB ChEMBL
177327,C#CC1CC(=O)C2CC(O)CN12,0,GDB ChEMBL
277614,CCC(C)C1CC(CC)(OC=O)C[NH+]1C,0,GDB ChEMBL
96094,C#CC(=O)NCC1CCCCNC(C=O)C1=O,0,GDB ChEMBL
83486,CC1C2=CCNC(=O)C(O)C2NS1(=O)=O,0,GDB ChEMBL
266487,CCc1ccc2c3c1C(C)C(CC)C3C=C2,0,GDB ChEMBL
280461,NC(=O)NC(=O)c1cc(N)cc(NCCO)n1,1,GDB ChEMBL
75015,CCC(=O)C(C)(C)C[NH+]1CC(C)C1,1,GDB ChEMBL
218577,CC1CCC2(CNCC(=O)NC2=O)O1,0,GDB ChEMBL
375521,C=C1CC2CC([NH3+])CCC2(C)C1C,0,GDB ChEMBL
252639,CN=C(NC)NC(=O)COC1(C)CN(C)C1,1,GDB ChEMBL
264926,CCN1C(=N)CC(C#N)C(N)CC1=O,0,GDB ChEMBL
300954,C#CC1C(CCCC)CCC1C(C)(C)CCC,0,GDB ChEMBL
398959,CC1(C2C=CC[NH2+]CC2)COC1,0,GDB ChEMBL
163856,CCC12CCOCC(C=C(CO)C1)O2,0,GDB ChEMBL
305079,C[NH2+]CCC1CC1C1COC1,0,GDB ChEMBL
278018,Cc1cc2c(C3CC3)n(C)c(=O)c(C)c2o1,1,GDB ChEMBL
23988,CCC1[NH2+]C(CN)CC12CO2,0,GDB ChEMBL
317564,CCC12C=CC(CC1C)C2C(C)OC,0,GDB ChEMBL
34412,CCS(=O)(=O)N1CC(N(C)C(=O)CO)C1=N,0,GDB ChEMBL
38610,CC(C)C1CCC(O)C(O)C[NH2+]1,0,GDB ChEMBL
300935,CC1(O)CC([NH3+])(CO)C(N)C2C(=O)OCC21,0,GDB ChEMBL
190263,C#CC(=O)N1CCC(C(C)=O)NC1=N,1,GDB ChEMBL
135381,C[NH2+]C1CC2CCN(C1)CC2c1[nH]c(C)c[nH+]1,0,GDB ChEMBL
354825,CC[NH+](CCC(CO)CC(C)(C)[NH3+])C(C)C,0,GDB ChEMBL
250613,CCC(C)(C[NH3+])Cc1cc[nH]c1,0,GDB ChEMBL
11699,CCOCCC(C)C([NH3+])C#CC[NH3+],0,GDB ChEMBL
35314,CCC1C([NH2+]C)C(C)CCCC12CCCCC2,0,GDB ChEMBL
19428,CC[NH+]1CC2CC1CC(C(C)(C)C)C2C,0,GDB ChEMBL
157727,CCC1(O)CC(O)C2OCC1([NH3+])C2C(=O)[O-],0,GDB ChEMBL
70316,CC(COC(N)=[NH2+])CN(C=[NH2+])C(C)CC(=O)[O-],0,GDB ChEMBL
330539,C#CC1C2CC(C)C(OC)(C2)C1O,0,GDB ChEMBL
143834,CC1CCC([NH3+])C(CC[NH3+])CC12CO2,0,GDB ChEMBL
278256,CN(C)C(=O)C(CC#N)NCS(=O)(=O)[O-],0,GDB ChEMBL
314899,N#CCN1C(=O)C(O)C1C[NH3+],0,GDB ChEMBL
275645,CCC(C)C1CC(O)C(CC)OC(C)(C)O1,1,GDB ChEMBL
94687,C[NH+]1C2C(O)CC1(C)CC2C[NH3+],0,GDB ChEMBL
303376,CC1C=CC2CCC(=O)CC(CCO)CC12,0,GDB ChEMBL
136169,Fc1ccccc1C1=CCC2CC1C2,1,GDB ChEMBL
252302,N#CC1C2NC(C(N)=O)C([NH3+])CCC12O,0,GDB ChEMBL
182865,CCCNC(=[NH+]CC)C1(C#N)CCC1,0,GDB ChEMBL
208590,CC1COCCN(CCC=O)C(=O)C(=O)N1,1,GDB ChEMBL
10589,CC1NS(=O)(=O)C1(CC[NH2+]CCO)C(=O)[O-],0,GDB ChEMBL
93453,Cc1nc(CNC(N)=O)c(C2CNC(=[NH2+])O2)s1,0,GDB ChEMBL
358495,Cc1ncc(N)c2c1OC1COCC(C1)[NH2+]C2,0,GDB ChEMBL
109577,N#CC(CC(=O)[O-])C1NC(C(N)=O)C(O)C1[NH3+],0,GDB ChEMBL
276299,COCC1NCC(=O)C1N1CC1,0,GDB ChEMBL
228353,C#CCC(C)c1c(C)c(Cl)cc2c1CC(C)O2,1,GDB ChEMBL
221400,CCC(C)(O)C12COC3C(=O)NC1C32,0,GDB ChEMBL
118497,CCC(C#N)(CC)C(C)NC(C)c1ncco1,1,GDB ChEMBL
175566,CNC(=O)N1CC(=O)C(=O)[CH-]C1=O,0,GDB ChEMBL
233448,CC1CCC(O)C2[NH2+]CC1C2=O,0,GDB ChEMBL
358847,CC1(OCc2cscn2)CC([NH3+])C1,0,GDB ChEMBL
256001,O=CCNCc1cc(C=O)cn1CC(F)(F)F,1,GDB ChEMBL
186674,CC(C)CC(C)C1C(C)(C)C12CCCC2,0,GDB ChEMBL
35432,Cc1cc(Br)cc(CCC2(C)CC2)c1,1,GDB ChEMBL
339081,CNC(=O)C1CCCC23C(=NO)COC2C13,0,GDB ChEMBL
298205,CCC#CC1=CCC(=O)C(CC)N(C)CC1,0,GDB ChEMBL
206968,C#CCCc1cc(F)cc(F)c1C(F)(F)F,1,GDB ChEMBL
10568,CC1CC2C3CNC(=O)C3OC(=O)C12,0,GDB ChEMBL
89148,C#CCC1(C#N)COCCN1,1,GDB ChEMBL
177081,COC1C2NC(=O)C([NH3+])(C2O)C1C(N)C(N)=O,0,GDB ChEMBL
359144,CC(=O)OCC(O)COCC1([NH3+])C(O)C1O,0,GDB ChEMBL
111897,CNCC(N)(C#N)C(CO)CO,1,GDB ChEMBL
353560,CC1([NH3+])CC[NH2+]C(CCOCCO)C1(O)CO,0,GDB ChEMBL
234434,CNC1=[NH+]CC2(CC2)C(=O)NCC1O,0,GDB ChEMBL
1961,C#CC(C#C)(C#C)C(CC)c1ccccc1Cl,0,GDB ChEMBL
40005,CCC1CC2CC=CCC2CCC1C,0,GDB ChEMBL
130445,CCOCC1CC2CC2C1NC(N)=O,1,GDB ChEMBL
151225,CCCC1OC2CCC1C2C,1,GDB ChEMBL
392483,CC1CC(C)[NH+]2CCC3C(CC1O)C32,0,GDB ChEMBL
299600,NC(CC([NH3+])CO)CS(N)(=O)=O,0,GDB ChEMBL
398849,CCC1CC(C)(C)OC1(C)CCCC(C)C[NH3+],0,GDB ChEMBL
71309,CC(C)(C)CCC1(CC2CC2)CCCCC1,1,GDB ChEMBL
163377,CCNS(=O)(=O)CC1NC(=O)OC1=N,1,GDB ChEMBL
209706,C#CC(C)OC1(COCC)CCC([NH3+])C1,0,GDB ChEMBL
71423,CC(=O)N1CCC(O)C(=O)C1C,1,GDB ChEMBL
320786,COC1C(C)[NH2+]C(C(C)O)C1N,0,GDB ChEMBL
21472,NC12C(=O)NCC1(O)C(C(=O)[O-])C2[NH3+],0,GDB ChEMBL
177060,CCCC1CC2CC(C)(C(C)C)CC2CC1C,0,GDB ChEMBL
276134,CC1(C2CC(O)C(C[NH3+])C2)CC1,0,GDB ChEMBL
60948,Cc1ncc(I)cc1C#CC1(C)CC1,1,GDB ChEMBL
150128,N#CCC(OC(N)=[NH2+])C(=O)[O-],1,GDB ChEMBL
157482,C#CCC(=CCCCC[NH3+])C(C)C,0,GDB ChEMBL
374201,CC1=CCC(C(C)CO)C1=O,1,GDB ChEMBL
271705,C1CCC2=C(C1)CCOCC2,1,GDB ChEMBL
148832,C#CC[NH2+]CC(C)C1(C)COCCNC(=O)O1,0,GDB ChEMBL
22033,CC(O)C1OCC(=NO)C1(C#N)CNC(N)=O,0,GDB ChEMBL
114379,CCC=CC(C)(O)C(=O)C1C[NH2+]C1,0,GDB ChEMBL
337122,O=C1CNC2(CS(=O)(=O)C2)C2NC(=O)C1C2O,0,GDB ChEMBL
104931,CC1COCC(Cn2cnnn2)[NH2+]1,0,GDB ChEMBL
371716,Cc1nc(F)cc2c1cc(CO)n2C(C)(C)C,1,GDB ChEMBL
87144,NC1C(=O)OCC(O)CC2C(CO)OCC12,0,GDB ChEMBL
380555,CCC1(O)CCC(C)C2C[NH+](CC2C)C1,0,GDB ChEMBL
29477,CC([NH3+])CC(C[NH3+])C(OC(N)=O)C1CC1O,0,GDB ChEMBL
127646,CC([NH+]=C(N)N)C1[NH2+]CC2(O)COC(=O)C12,0,GDB ChEMBL
216569,CC(C)N(C)C(=[NH2+])C1CC(O)C(=O)N1,0,GDB ChEMBL
50971,CC1C=C(CCCC(C)(C)C)CC1=O,0,GDB ChEMBL
211166,CC[NH+]1CCC(C2CC2C)C2C=C(CC2)C1,0,GDB ChEMBL
144627,CC(C)CCCC1C(C)(C)CCCCC1(C)C,0,GDB ChEMBL
302599,COCC(C)C1C2CCC1O2,1,GDB ChEMBL
45702,CNC1=NC(C=O)C(O)C(=O)OC1C,0,GDB ChEMBL
272546,CC(NC(=O)C[NH3+])C1=CCC2OCC12,0,GDB ChEMBL
380388,CC12CCCCC1OCC2O,1,GDB ChEMBL
105092,CC(C)c1cccc2c1C(C)COC2,1,GDB ChEMBL
38711,CC(C)[NH+](C)C1(C(C=O)C=O)CC1,0,GDB ChEMBL
378131,C#CC1(C)OC(C[NH3+])C(=O)NCCOC1CC,0,GDB ChEMBL
385490,COCC(O)C1NCC1(C#N)C(N)=[NH2+],0,GDB ChEMBL
319310,CCC(C)C1NC1C(F)(F)F,1,GDB ChEMBL
173143,COC(=O)C(C[NH3+])CCOC=N,1,GDB ChEMBL
394296,C#CCCC(C)(C#N)CC(C)=O,1,GDB ChEMBL
319159,CCC(C(N)=O)C1OC(C)C1[NH3+],0,GDB ChEMBL
218848,CC#CCCC1(C#N)CC2CC2C1,1,GDB ChEMBL
394261,COC1C(CCC2CO2)CC(O)C1C,0,GDB ChEMBL
193746,CCCCC(C)CC1(C)CO1,1,GDB ChEMBL
115891,CCC#CCCCCC(C)(C)CC[NH+](C)C,0,GDB ChEMBL
104975,CNc1nc(O)cnc1C#N,1,GDB ChEMBL
53026,CCNC=[NH+]c1c(N)c(Cl)cn(C)c1=O,0,GDB ChEMBL
51840,CC1C2CC(O)C(CCS(=O)(=O)[O-])C(=O)N12,0,GDB ChEMBL
286854,CC1=C2CC=CC2CC2CCC(C)[NH+]2CC1,0,GDB ChEMBL
305809,CCC1C2C[NH2+]C(C)C1OCO2,0,GDB ChEMBL
116631,C[NH2+]CC1OC2(C)CC(OC)C3C1C32,0,GDB ChEMBL
378121,CCCC(C)(C)Cc1c(NC)ccc(Cl)c1C,1,GDB ChEMBL
48027,CCC1CN(C)C(C#N)C1N,1,GDB ChEMBL
104480,CC1CC[NH+](C)C2COC(C)C(O)C12,0,GDB ChEMBL
341136,C#CCC(CC)CC[NH2+]C(CC)CC(C)(C)O,0,GDB ChEMBL
114756,CNC1(C(C[NH3+])C(N)=O)CC(O)CC1[NH3+],0,GDB ChEMBL
151093,CNC=[NH+]CCN1CCCNC1=O,0,GDB ChEMBL
317184,O=C(NC1CC1)Oc1ccccc1,1,GDB ChEMBL
93394,CC1(C)CC2[NH2+]CC(N)(CO)CC(O1)C2O,0,GDB ChEMBL
380566,COC(C)COC(C)CC(C)(C)C1COC1,0,GDB ChEMBL
303363,N#Cc1cn(CCS(N)(=O)=O)c(O)n1,1,GDB ChEMBL
302606,C#CC1CCC(OC)CC1=O,1,GDB ChEMBL
194754,CCc1ccc2c(c1)CC(C)(C)C2C,1,GDB ChEMBL
115758,CCCOC1C(C)C[NH2+]CC1C1CC1CO,0,GDB ChEMBL
222166,O=C(CO)NCC(=O)C(=O)CCO,0,GDB ChEMBL
285714,C[NH+]1CC2(COC2)OC2CC1C2,0,GDB ChEMBL
83511,CN(C1CC1)C(C)(C)C#N,1,GDB ChEMBL
83118,CCC(OC)c1cccnc(=O)c1O,0,GDB ChEMBL
55529,CCC1=CC2CC(CC)C[NH2+]C(C1)C2,0,GDB ChEMBL
47981,CC#CCCC1(C)C[NH2+]CCCC(C)C1,0,GDB ChEMBL
26371,CC12OC1C1CCC2NC(=O)C1[NH3+],0,GDB ChEMBL
359052,CCC1CC2C1CCC1CCC[NH+]2C1,0,GDB ChEMBL
161815,CC1CC2(C[NH3+])COC2C1O,0,GDB ChEMBL
363190,CCCC1(C)CC(C[NH2+]CC)CC(O)C(C)C1,0,GDB ChEMBL
332414,CC1(C)CC2(O)CN(C1C(N)=O)C2CO,0,GDB ChEMBL
112759,Cc1cccc(CCC#CC2CC2)c1,1,GDB ChEMBL
267370,CCCC1(CC)CC(C)CC=C1C,1,GDB ChEMBL
205766,C#CC1(C)Cc2ccccc2CC2C[NH2+]CC21,0,GDB ChEMBL
248860,CCCC[NH2+]C1C(C)CC(CC)C1O,0,GDB ChEMBL
246946,CC#CC(C)(CCC(C)=O)C(C)C(F)(F)F,0,GDB ChEMBL
6051,C#CC1CCC(C(=O)CC)C1,1,GDB ChEMBL
19355,CN1C(=O)C2C(O)C1C(O)C2(C)CO,0,GDB ChEMBL
396086,Clc1cncc2c1OCCC2[NH2+]C1CC1,0,GDB ChEMBL
354817,CCC(N)(C#N)C1CCC[NH+]1C,0,GDB ChEMBL
202842,CC1CC2NC(=O)C([NH3+])C2N1C=O,0,GDB ChEMBL
378924,CC1CN(C(N)=[NH2+])C(CN)(CN)C[NH2+]1,0,GDB ChEMBL
215411,COCC1OC2(CC(C)C2)CC1(C)C#N,0,GDB ChEMBL
339272,Cn1c(OC2CC[NH2+]C2)nc2c1C(=O)CN2,0,GDB ChEMBL
354043,C[NH2+]CC(O)C1COC(CO)CC(O)C(=O)N1,0,GDB ChEMBL
29807,CCOC1C23C=CC1(CC2)C3=O,0,GDB ChEMBL
215672,CC(C)NC(=O)Nc1[nH]ccc1C(=O)[O-],0,GDB ChEMBL
45700,COC1C(C(O)C[NH3+])C1(CO)NC(N)=[NH2+],0,GDB ChEMBL
112405,CCC(CC)OCC1OC(N)=[NH+]C(C)CC1=O,0,GDB ChEMBL
397913,CCC(=O)C1=CC(C)[NH2+]C1,1,GDB ChEMBL
5035,CC1=C(C(C)C)C(=O)CCCC1,0,GDB ChEMBL
179470,Cc1cc(N2CCC(C(C)C)CNC2=O)c[nH]1,1,GDB ChEMBL
33157,COC(=O)N(C(N)=O)C(=O)C(C)O,1,GDB ChEMBL
182878,CC([NH3+])CC1(C[NH3+])CC(O)C(C)O1,0,GDB ChEMBL
124896,CC1C=CC(O)CC(C([NH3+])CCO)CC1,0,GDB ChEMBL
149426,O=C(CO)OC1C23CNC(=O)C12CNC3=O,0,GDB ChEMBL
193801,Nc1nonc1CC1CC(CC(=O)[O-])C1,0,GDB ChEMBL
21889,Cn1cc(N)cnc2scnc2cc1C(N)=O,0,GDB ChEMBL
66702,CCC1CC2CC1[NH2+]CC(C)C2C=O,0,GDB ChEMBL
147230,CCC1CC(C(C)(C)O)C(C)C1=O,1,GDB ChEMBL
194503,C#CCCC(=O)C1CN(C)C1=O,1,GDB ChEMBL
70831,CC(O)CNC(=[NH2+])C(=[NH2+])NCCO,0,GDB ChEMBL
288711,CC(C)C1=C(C(N)=O)CCC1O,0,GDB ChEMBL
277114,CC1OCC1(CC[NH3+])COCC(N)=O,0,GDB ChEMBL
243889,COCCc1n[nH]c(C)c1C,1,GDB ChEMBL
304042,CC(=O)NC1CN2CC12C[NH3+],0,GDB ChEMBL
41316,CN1C(=O)C2(N)C(=N)NC(=N)OCC2C1CO,0,GDB ChEMBL
369285,CC#CC1CC=CC[NH+](C)C(C)(C)C1,0,GDB ChEMBL
58450,CN(C(N)=O)C(=O)C(C)(C)CO,1,GDB ChEMBL
21550,O=C([O-])CC1[NH2+]CC2C(C3C[NH2+]3)C12,0,GDB ChEMBL
174674,COC(CO)C1OS(=O)(=O)NCC(C)C1[NH3+],0,GDB ChEMBL
5854,CNC(=O)Oc1nc(CC#N)oc(=O)c1C[NH3+],0,GDB ChEMBL
195564,CC#CC1(CC[NH3+])CC2CC2C1,0,GDB ChEMBL
140890,CCc1cc(C([NH3+])CCOC)no1,1,GDB ChEMBL
94668,CNC(=O)NC(=O)[C-](C=O)C(=O)NC(C)=[NH2+],0,GDB ChEMBL
378589,CCC[NH2+]CC(C)n1cc[nH]c1=O,0,GDB ChEMBL
177288,CNC(C#N)COC1CC1(C)[NH3+],0,GDB ChEMBL
97216,CCCC(C)(CC)CC(C)(CCO)C(C)C#N,0,GDB ChEMBL
84869,O=C1CCCOCC12C(O)C2CO,0,GDB ChEMBL
207337,CCCC1=CCC([NH+](C)C2COC2)C(O)C1,0,GDB ChEMBL
181117,CCC(C)C12CCC(C#N)(CC1)N(C)C2C,0,GDB ChEMBL
210375,CNC(=O)c1nc(=O)[nH]nc1[O-],0,GDB ChEMBL
259659,CN(C(=N)C1(O)CCC[NH2+]C1)C(N)=[NH2+],0,GDB ChEMBL
38900,CN=COc1c(F)cc(C(C)=O)cc1F,1,GDB ChEMBL
94728,CC1CN(CC(=O)OCCO)CC1O,1,GDB ChEMBL
17535,CC1NC(=O)OC1(C)CC(CO)C(O)C=O,0,GDB ChEMBL
106018,COC(C[NH3+])c1c(O)ncnc1N(C)C,0,GDB ChEMBL
345719,C#CC(O)(C(C)C)C(CC)(C[NH3+])C[NH3+],0,GDB ChEMBL
23910,C#CCOc1c(N)c(=O)[nH]c(=O)n1C,1,GDB ChEMBL
124520,CCCOCC(C)(C)C#N,1,GDB ChEMBL
281819,C#CC1(C[NH+](C)CCC)CC(C)(OC)CC1C,0,GDB ChEMBL
115581,CCC1(C)C2CC3C1CC[NH+]3C2,0,GDB ChEMBL
338342,C=CCC(=CCCC)C(C)C(C)C,1,GDB ChEMBL
35300,C[NH2+]C1C(N)C1OCCOC,0,GDB ChEMBL
66144,CCCCC1C2CC3CCCC(C3)C12,0,GDB ChEMBL
236682,CCc1cn(C)c2c1C1C[NH+](C)C2CC1OC,0,GDB ChEMBL
280633,CCC1C=C(C2(C)C[NH+](C)C2)CCCC1,0,GDB ChEMBL
24229,CCC1OC(C(C)C)C2C(C[NH3+])C12,0,GDB ChEMBL
330932,CN(C(N)=O)C(CCCO)C1CO1,1,GDB ChEMBL
342608,CC#Cc1c(Br)cc2c(c1C)C=CCC2,1,GDB ChEMBL
142495,[NH3+]C1C(O)C2NC(=O)C1C2CCO,0,GDB ChEMBL
367627,CC[NH2+]C12CC(OC)CC=CC1C2C,0,GDB ChEMBL
262595,CCC(CO)NC(=O)C(O)(CO)C(=[NH2+])N(C)C,0,GDB ChEMBL
311659,CC1CC2CC(=O)CCCC=CC(=O)NC12,0,GDB ChEMBL
24048,C#Cc1nc(N)nc(CNC)c1Br,1,GDB ChEMBL
358273,Clc1ccc2c(c1)C1CC(C2)C2CC2C1,0,GDB ChEMBL
195283,CCCOc1c(I)c([O-])cc2ncnc(O)c12,0,GDB ChEMBL
331517,C[NH+]1CCCCC2C(C#N)CC3C2C31,0,GDB ChEMBL
255403,NC(=O)COCC1Nc2n[nH]cc2C1CCO,0,GDB ChEMBL
277127,C#CC1CCC=CCC(C(C)CC)C1,0,GDB ChEMBL
118376,Fc1cc(F)c2c(c1)CC1NC21,0,GDB ChEMBL
45670,C#CCCCCC1C=C(C)CC1C(F)(F)F,0,GDB ChEMBL
173839,N#CCCNC(=[NH2+])c1c(N)cc(=O)oc1[O-],0,GDB ChEMBL
85875,COC(=O)C1CC2CN2C=[NH+]C1C,0,GDB ChEMBL
235913,CCCCOCC1([NH2+]C)C2CCC(C)(C2)C1C,0,GDB ChEMBL
107841,CCC1CCC2(C)C1=CCC(C)C2CC,0,GDB ChEMBL
68501,C#CCCC(=O)NC(=N)C(C)[NH3+],0,GDB ChEMBL
150531,C[NH2+]C1(C)CC2CC([NH3+])CCC1CN2,0,GDB ChEMBL
291870,CCOCCCC1CC(C)C1C(C)C,0,GDB ChEMBL
372688,Cc1ccc(N)c(C(N)=[NH2+])c(=O)c1N,0,GDB ChEMBL
200769,CNC(=O)CNC=[NH+]C1COC1,0,GDB ChEMBL
216586,CC1(O)C(=O)NCC2[NH2+]C(CO)C(N)C21,0,GDB ChEMBL
84914,CC1CCCC1(C)C1C=CCCC1[NH3+],0,GDB ChEMBL
165654,CCC1C(C)CC2C(C)C1CN2C=O,0,GDB ChEMBL
127630,Cc1c(NCCO)c(O)n2c1C(=O)C(C)(C)C2,0,GDB ChEMBL
35276,N=C(CC(=O)[O-])NC(=O)OCC=O,1,GDB ChEMBL
372095,CC1CC2CC2CC(C#N)NC2COC1C2,0,GDB ChEMBL
288606,CC[NH+]1CCC(C)(OC(C#N)(C#N)C(C)=O)C1,0,GDB ChEMBL
94870,[NH3+]CC1(O)C2CC([NH3+])C1C(CC(=O)[O-])C(=O)O2,0,GDB ChEMBL
277832,CC1=CCC2CN=C(N)N2C1=O,1,GDB ChEMBL
38714,CC1COCC=CC1(CC#N)C(F)(F)F,0,GDB ChEMBL
68645,CC[NH+](C)CC(C)C[NH+](C)C,0,GDB ChEMBL
217134,CC(C)n1nnc([O-])c1C(N)=O,0,GDB ChEMBL
345408,CCOCCC1(C)CC(=O)CC(=NO)C1,0,GDB ChEMBL
77062,CC(O)C1C2C(=O)NC3CS(=O)(=O)N1C32,0,GDB ChEMBL
78312,OCCC1=CCCOC1,1,GDB ChEMBL
84577,CCC1CC2CC(C)C1C(C(C)C)CC2(C)C,0,GDB ChEMBL
53889,CCC1C(C)(C)CC2CCC3CCCC1(C)C32,0,GDB ChEMBL
103926,CCCC(CCO)CCCC1([NH3+])CC1,0,GDB ChEMBL
344309,CCNC(=O)C1OC(=N)C1S(N)(=O)=O,0,GDB ChEMBL
320292,CC1CC2OCCCCCC2C2COCC12,0,GDB ChEMBL
345792,C#CCN1CC1C([NH2+]C)c1nccs1,0,GDB ChEMBL
377979,[NH3+]C1CC(O)C(=O)NC(=O)C2C([NH3+])CNC12,0,GDB ChEMBL
34849,CCC1CC(C[NH3+])CC2C1[NH+]2C,0,GDB ChEMBL
377819,Cc1c(Cl)n[nH]c(=O)c1NCC(=O)[O-],1,GDB ChEMBL
23956,NC(=[NH2+])C1CC1NS(=O)(=O)CC(N)=O,0,GDB ChEMBL
337121,O=C[C-]1NC(=O)OC(CO)C(O)C1=O,0,GDB ChEMBL
67389,CCNC1(C#N)CC([NH3+])C2CCCC(CO)C21,0,GDB ChEMBL
307561,Cc1ccc(F)cc1OCCO,1,GDB ChEMBL
204691,COC1C2C(C(N)=O)[NH2+]CC12O,0,GDB ChEMBL
352183,NC(CC(=O)OCC(=O)[O-])C1(C[NH3+])CC1[NH3+],0,GDB ChEMBL
156039,CC1CC2(CC2)c2cc(F)cc(F)c21,1,GDB ChEMBL
134483,CC1=CC(C)C(C)C[NH2+]CC1,0,GDB ChEMBL
72428,C#CCC(C)(O)C(CCCC)C([NH3+])C(C)CO,0,GDB ChEMBL
350952,N#CC1(CO)CC(C(N)=[NH2+])NCC1C(N)=O,0,GDB ChEMBL
338600,CCCC(C)C1C([NH3+])C1CC,0,GDB ChEMBL
111923,CC1(C2OCCC2[NH3+])C[NH2+]CCC1O,0,GDB ChEMBL
296032,C1#Cc2ccc(cc2)CCC2=CCC(C1)C2,0,GDB ChEMBL
300560,CCc1c(N2C(C)C2C)cnc2[nH]ccc12,1,GDB ChEMBL
36053,N#CC1C([NH3+])C1COC1CC1,0,GDB ChEMBL
275692,CC(=O)C1C(O)C2CCN1C2C=O,0,GDB ChEMBL
352822,CC(=O)C1CN1C(=O)C1CC1,1,GDB ChEMBL
218364,CNc1nc(C2CCCC2)c(N)cc1OC,1,GDB ChEMBL
385398,CC12CCCC(CC=CCC1C1CCC1)C2,0,GDB ChEMBL
283458,CC1C=CC=CCC2(C)CCCC2CC[NH2+]1,0,GDB ChEMBL
346816,C1=CCCCCCCC=CC1,1,GDB ChEMBL
339932,CC([NH3+])CC1C2NC(=O)C1S(=O)(=O)[N-]C2=O,0,GDB ChEMBL
236003,NC(=[NH2+])CCOC(C(=O)[O-])c1cscn1,0,GDB ChEMBL
257461,CCC12OC1C(O)C([NH2+]C)C2O,0,GDB ChEMBL
119947,CC(C)C([NH3+])C1OC(=O)C=CC1O,0,GDB ChEMBL
99578,COCC1CC2(C)C=CCC(=O)C2C[NH2+]1,0,GDB ChEMBL
161967,C[NH2+]Cc1cc(O)c(C)c(=O)nc1N,0,GDB ChEMBL
26048,Fc1ccc(F)c2cocc12,0,GDB ChEMBL
21709,CC[NH+]1CCC2C(O)C21C,0,GDB ChEMBL
83508,CC(C)C1CC2CC[NH2+]C1CC2,0,GDB ChEMBL
245493,C#Cc1cc(F)cc(C(=O)NCCC)c1C=O,1,GDB ChEMBL
349683,CCC1(C)C(C)CC2(OC)CC(C)CC21,0,GDB ChEMBL
115903,Cc1cncc(OCC=O)c1O,1,GDB ChEMBL
369277,CC(=N)Nc1nccc(F)n1,1,GDB ChEMBL
846,N#CC1(C(=O)[O-])N=C(N)COC1CO,0,GDB ChEMBL
109184,CC1CC2CCC(CC2)O1,1,GDB ChEMBL
239092,NS(=O)(=O)OCC1CC2CC2C1O,1,GDB ChEMBL
87041,CCc1nc(C)c(F)cc1C,1,GDB ChEMBL
238026,OCCCC1C2CC3C1CC23,0,GDB ChEMBL
44116,COC(=O)C(C)N1CC1C[NH3+],0,GDB ChEMBL
29205,CC1C2Cc3c(Cl)cc(Cl)c(Cl)c3CC12,0,GDB ChEMBL
174870,CCCCC1(CC)CC(C)CN(C)C(=O)N1,1,GDB ChEMBL
66759,CC[NH+]1CC(O)(C(C)(C)C)C2CC(=O)CC21,0,GDB ChEMBL
134790,CN1CCOC2(C)C1CC2(O)CO,0,GDB ChEMBL
389647,CC(CO)N1C(=O)CC(C)(C)N=C1N,1,GDB ChEMBL
330405,COC1CC2COC1(C=O)C(CO)N2CCO,0,GDB ChEMBL
248225,C[NH2+]C(CC#CC1CC1)C(CO)CO,0,GDB ChEMBL
389073,CCC1CC(C)(C)C(CC(C)CO)C=C1C,0,GDB ChEMBL
113586,CCOC1OC(=O)CCC(C)C1C=O,0,GDB ChEMBL
323131,Cc1ccc2n1C(C)CCC1C(CCO)N21,0,GDB ChEMBL
29434,C#CCC1(C(=O)Cc2ccccc2)NC1C,0,GDB ChEMBL
222161,CC1CC2C3CCCC([NH2+]C4C[NH2+]CC14)C32,0,GDB ChEMBL
274843,CCN1CC(CC(N)=O)(N=COCC[NH3+])C1,0,GDB ChEMBL
225241,CC1=CC(C)[NH+](CC2CC2C)CC1,0,GDB ChEMBL
290114,CCOCC([NH3+])C1(C)CCC=CC1O,0,GDB ChEMBL
177239,CC(=O)NC12CCC1OC2=O,1,GDB ChEMBL
37312,Cc1noc2c1NC(C(=O)NC(N)=O)CC2[NH3+],0,GDB ChEMBL
177130,COCC1CCCC1=NO,1,GDB ChEMBL
163837,CCCC1CC2OC(C)CC2(C)CC1C,0,GDB ChEMBL
243330,CCOCCC12CC1CCCC(C)C(=O)N2,0,GDB ChEMBL
129408,CC#Cc1nn(C)c(NC(N)=O)c1[O-],0,GDB ChEMBL
31358,[NH3+]C1COCC2C(C(=O)[O-])C3C(O)CN3C12,0,GDB ChEMBL
99801,C#CC1CCCC(CC)(C(=O)CCC)CC1C,0,GDB ChEMBL
191536,CCc1sccc1CC#N,1,GDB ChEMBL
338930,C[NH2+]CC1CC2CC2(C[NH+](C)C)N1,0,GDB ChEMBL
31035,CNC(C=O)COC(=[NH2+])NC(C)C(=O)[O-],1,GDB ChEMBL
275507,CCCOCC1C2C[NH2+]C21,0,GDB ChEMBL
79282,CCC(C)(O)CC1(CC)CCC1,1,GDB ChEMBL
304325,CCC(=O)NC(=O)COC(C)C(N)C[NH3+],0,GDB ChEMBL
330511,C=CC(C)(CO)C1C=CC=CCC1,0,GDB ChEMBL
288537,O=C([O-])C1CC2(CO)CNC2=N1,0,GDB ChEMBL
10611,C#CC(c1c(C)cc(C)cc1C)C(C)(C)CC,0,GDB ChEMBL
221704,CCC12C[NH2+]C(C1)C(O)CC[NH2+]C2C(C)(C)O,0,GDB ChEMBL
204297,CCOC1C[NH+]2CC=CC([NH3+])C1C2,0,GDB ChEMBL
47803,N#CC(N)(C(=O)[O-])C1C[NH+]=C(N)O1,0,GDB ChEMBL
348567,CC1CC2CCC[NH+](C)C2C1C,0,GDB ChEMBL
149328,CCCCCC1C=CC(C#N)CCC1,1,GDB ChEMBL
345697,C[NH2+]C1C2C(O)C(N)C(=O)OC12C,0,GDB ChEMBL
233418,CCCCC(C)(CO)C(CO)OC=O,1,GDB ChEMBL
33326,CCn1nc(NC)c(N)c1N,1,GDB ChEMBL
79310,CC1NC(C#N)C(O)C(O)C1CO,0,GDB ChEMBL
358131,CC(C(=O)NC(N)=O)N(C)C=[NH2+],1,GDB ChEMBL
4798,CCC1C2C=CCC1C(C)[NH2+]C2,0,GDB ChEMBL
11230,Cc1cnc(C2CC3C(O)CCN23)cc1O,0,GDB ChEMBL
147283,CCNC(=O)N1CCC(CC(C)[NH3+])NC(=O)C1,0,GDB ChEMBL
147561,CCOCC1CC(C)[NH2+]1,1,GDB ChEMBL
48129,CC[NH2+]C1CNC(=O)C1C1(C#N)CC1O,0,GDB ChEMBL
191350,CCc1cccc(N)c1CCC(C)C(F)(F)F,1,GDB ChEMBL
165672,CC1CCC2CCCCCC(CC1)C2,0,GDB ChEMBL
307512,CC1OC2(C(=O)[O-])CNC(C2)C(=O)OC1CO,0,GDB ChEMBL
269313,[NH3+]CCC(O)Cc1c[nH]cn1,0,GDB ChEMBL
148339,C[NH2+]C1CC2C([NH3+])C1C2(C#N)C(=O)[O-],0,GDB ChEMBL
33840,CC1CC[NH+](CC2CC2)CC=CC(C)(C)C1,0,GDB ChEMBL
6816,CC1CN1C(CCO)C([NH3+])CS(N)(=O)=O,0,GDB ChEMBL
141778,COC1CC1C(OC)C(C)CO,1,GDB ChEMBL
45669,CC1CC2C(O)C(=O)NC2C1C(=O)[O-],0,GDB ChEMBL
157417,CCC(O)(CC1CC[NH+](C)C1)C(C)(C)C[NH2+]C,0,GDB ChEMBL
383815,CCNC(=O)N1C2C=CC1C(=O)C2,1,GDB ChEMBL
115260,C1C[NH2+]C(C2OC3CCCCC32)C1,0,GDB ChEMBL
385356,CC1CCCC2C(O)CC(C)(C(C)[NH3+])C12,0,GDB ChEMBL
265496,CC1COCCC(C[NH3+])C(N)=[NH+]1,0,GDB ChEMBL
40935,CCC12CN(CCO)C(CO1)CO2,1,GDB ChEMBL
378116,C#Cc1ccc(F)c2c1CC(C)C1CC2C1,0,GDB ChEMBL
173995,[NH2+]=C1CCN1CCN1CCC([NH3+])C1,0,GDB ChEMBL
181348,CCC1CC2NC1C1[NH2+]CC(O)C21,0,GDB ChEMBL
66167,CC#CC[NH+]1CC2(CCC(C)(C)CC2C)C1,0,GDB ChEMBL
212597,N#CC1CC2(O)C(O)C(O)C1C2C(N)=O,0,GDB ChEMBL
25207,C[NH2+]C1C(CC(=O)[O-])=CCC([NH3+])C1O,0,GDB ChEMBL
144630,Cc1nccc(S(C)(=O)=O)n1,1,GDB ChEMBL
305839,CCCOc1nc(CC(CCC)[NH2+]C)c(C)[nH]1,0,GDB ChEMBL
22482,C#CC1(OC)Cc2ccsc2C1CC,1,GDB ChEMBL
386539,C[NH+]1CC2(O)C(CC(=O)[O-])C1C1(N)CNC12,0,GDB ChEMBL
59182,CC([NH3+])C1OC(=O)CCC(O)C(C)C1O,0,GDB ChEMBL
99803,CC1CCCC2C1N2C(N)=O,1,GDB ChEMBL
129547,CCC1CC(=O)n2cccc2N1C,0,GDB ChEMBL
210217,Cc1ccc(CC2(CC(C)C)CC2)nc1Br,1,GDB ChEMBL
84216,C[NH2+]C1(C)CCOC2(C)CCC([NH3+])CC12,0,GDB ChEMBL
135797,N#CC1C(O)(C(=O)[O-])C1(C[NH3+])C(O)C(N)=O,0,GDB ChEMBL
347954,Cc1nc(N)c(NC(=O)NC(=N)N)s1,1,GDB ChEMBL
181424,CC1C(C)[NH+]2CC3C[NH+]1CC3C2,0,GDB ChEMBL
201431,[NH2+]=C1NCCC(C2CCO2)CN1,0,GDB ChEMBL
379352,CNc1nsc(CCO)c1C(=O)[O-],0,GDB ChEMBL
38166,CCC[NH2+]Cc1cn(C(C)CO)nc1O,0,GDB ChEMBL
21742,CNC(=O)CC1(C)NC1(CO)CNC(N)=[NH2+],0,GDB ChEMBL
394901,COC(C)CN1CC1C(N)=O,1,GDB ChEMBL
121495,CC1(CO)CCCOC1C(=O)CS(C)(=O)=O,0,GDB ChEMBL
103458,CC(=[NH+]CCC(=O)[O-])N1CC1,0,GDB ChEMBL
338517,CC(=O)OC1C(O)C(C)C2(O)CC2C1O,0,GDB ChEMBL
336070,C[NH2+]CC1CC(C)C2(C)CC(C)=CC12,0,GDB ChEMBL
349942,C#CC(C)(COCCC)C1(CC[NH3+])CC1,0,GDB ChEMBL
226240,CCC1CC(C(C)n2cccc2)C=CC1C,1,GDB ChEMBL
8698,CCC(O)CC#CCC(C)[NH3+],0,GDB ChEMBL
81740,O=C1OC(CO)CC2OCC(CO)[NH2+]CC12O,0,GDB ChEMBL
66752,Cn1cc(O)c2nc(N)c(N)cc21,0,GDB ChEMBL
102179,CC1CNC(=[NH2+])CCOC1C,0,GDB ChEMBL
367609,CC1(C(N)=O)C2NC1C1OC12,0,GDB ChEMBL
183482,CC(C)[NH2+]CC1CC2(O)C=CC1C2(C)C,0,GDB ChEMBL
200942,CN1C(CCS(N)(=O)=O)C(N)C2[NH2+]CC1C2O,0,GDB ChEMBL
274377,C[NH+]1CCCCCC2CC1C1OC2C1(C)C,0,GDB ChEMBL
163892,CCC(C)(CC)CC1=CCCC(C)C1,1,GDB ChEMBL
202020,CC(=O)CCC(NS(C)(=O)=O)C(C#N)C=O,1,GDB ChEMBL
89378,CCC[NH+](C(C)CO)C1CC(C)CC1C,0,GDB ChEMBL
253565,CC(=O)Cc1nc(C)co1,1,GDB ChEMBL
389429,CC(O)C1C2CCC=CC2CC1(C)O,1,GDB ChEMBL
328873,CN(C1C2C(O)CCC21S(C)(=O)=O)S(C)(=O)=O,0,GDB ChEMBL
48708,CC(C)n1c(N)nc2c1OCC(C[NH3+])CN2,0,GDB ChEMBL
806,Nc1cocc1C1CCc2cccc(Br)c2C1,1,GDB ChEMBL
396748,CN1C(=O)C(O)C23CCNS(=O)(=O)C2C13,0,GDB ChEMBL
185952,CC([NH3+])C1OC(C)C2CCC(=O)N2C1C[NH3+],0,GDB ChEMBL
153705,CC[NH2+]CCCC(=[NH+]CC=O)N(C)C,0,GDB ChEMBL
59177,CC1C2NC3CC(COC3=O)[NH+](C)C12CO,0,GDB ChEMBL
191335,NC1C2CC(O)C(CC[NH2+]2)C1O,0,GDB ChEMBL
304303,COCC[NH2+]C1C(O)CC1(OC)C(C)[NH3+],0,GDB ChEMBL
55494,CNC(C(=O)OC)C(O)S(N)(=O)=O,0,GDB ChEMBL
41151,C=CNC(=O)N(C(N)=O)C(=O)CN,1,GDB ChEMBL
376011,Cc1cccc(I)c1C1CC(C)CC(C)[NH2+]1,0,GDB ChEMBL
3800,CCS(=O)(=O)[N-]C12C(=O)OC(C1O)C2C[NH3+],0,GDB ChEMBL
382580,C#Cc1ccc(C)c(C)ccc(C)cc1CC,0,GDB ChEMBL
112566,COC1C[NH2+]C(C)C12C=CCC2C[NH3+],0,GDB ChEMBL
25176,NC(=O)C(O)C1C2C([NH3+])CCS(=O)(=O)N21,0,GDB ChEMBL
136031,C#CC1(C#C)Cc2cc(F)cc(C)c2C1C,0,GDB ChEMBL
314955,CCC1C2C=CC1C(O)C2O,0,GDB ChEMBL
374046,CNC(C#N)C(=O)C(O)C(O)CO,1,GDB ChEMBL
361780,CCOC(=O)N1C=CCC1=N,1,GDB ChEMBL
365685,C#CCCCC1=CC(=O)NC1(C[NH3+])C[NH3+],0,GDB ChEMBL
318749,CN1C(=O)C2(C)CC3CC31CO2,0,GDB ChEMBL
277828,N#CC1CC2CC(CCOC1=O)C2,1,GDB ChEMBL
121719,CCC[NH2+]C1CCC2(C)C3OCC1C32,0,GDB ChEMBL
217654,CCCCc1ncc2ncc(CC)c-2n1CC,0,GDB ChEMBL
203776,COC(C)CC(C(=O)CO)N1C2C[NH2+]CC21,0,GDB ChEMBL
83539,CC1C=C(C2CC2)CC1C1C(C)CC[NH+]1C,0,GDB ChEMBL
366879,C[NH+]=C1CC(CC(C)=O)C(CO)N1,0,GDB ChEMBL
321976,CC(=O)Nc1c(CC=O)ccc(N)c1Br,1,GDB ChEMBL
133961,CC1CC(=[NH+]CCCCO)N1,0,GDB ChEMBL
81760,C#CC(O)CCC(C)CC(C)O,1,GDB ChEMBL
23550,CC1CC2CC(C[NH3+])CCCCCC2C1(C)C,0,GDB ChEMBL
203588,C[NH2+]C1CC2CCC([NH3+])C2CC1O,0,GDB ChEMBL
218547,N=C1NC(=O)C2(N)C3[NH2+]CC(C(=O)[O-])CC132,0,GDB ChEMBL
300101,CC1CC1(C[NH3+])C1=CCCCCC1,0,GDB ChEMBL
207367,[NH2+]=c1[nH]ccc2c1NC(=O)OCCC2,0,GDB ChEMBL
20136,CC(C=O)C1COC(C(=O)[O-])C1,0,GDB ChEMBL
292211,[NH3+]C1(CCNC=O)COC1,1,GDB ChEMBL
81100,CC(=[NH2+])N(C(C)C(=O)[O-])C1C(N)C1O,0,GDB ChEMBL
280854,CCC1(N)C(=O)OCC(NC=[NH2+])C1C(C)O,0,GDB ChEMBL
13179,CCCCCOC(C)C(=N[O-])C1CCCO1,0,GDB ChEMBL
120362,CCC(=O)NC=C1CC(C[NH3+])C1O,0,GDB ChEMBL
358511,COC(N)=NCC12CC1C(C(N)=O)C(C)[NH2+]2,0,GDB ChEMBL
222546,CC1CC1(C(N)=O)C(C)(CC#N)CCO,0,GDB ChEMBL
308190,CCc1cn(C)c(CC(C=O)OC)c1CC,1,GDB ChEMBL
383723,COC(C)C(=O)NC(=N)C(O)(C[NH3+])CO,0,GDB ChEMBL
254905,CC1OC(=O)C2(C(N)=O)C([NH3+])C(O)C12,0,GDB ChEMBL
193804,CC1C2C=CCCC([NH+](C)C)CC1C1CC21,0,GDB ChEMBL
281847,C#CCOCCCC(=O)C1C[NH+]=CN1,0,GDB ChEMBL
179150,C=CCN(C(=O)C#N)C1(C)COC1,1,GDB ChEMBL
380295,CC1(C)C[NH2+]C2CC(NCCC[NH3+])CC1C2O,0,GDB ChEMBL
240457,CC1CC[NH+]2CC3CC(C3)C12,0,GDB ChEMBL
115425,CCOC12C(=O)C(=O)NC1C2C#N,0,GDB ChEMBL
316103,CCc1conc1C1CCC1,1,GDB ChEMBL
161054,C[NH2+]C1CCC2C(O)C(C1)C1OC21,0,GDB ChEMBL
355807,CC(C=O)(C=O)CC1CC1,1,GDB ChEMBL
304465,Cc1cncnc1S(=O)(=O)NCC#N,1,GDB ChEMBL
354782,CN(CCC[NH3+])C1COC1,1,GDB ChEMBL
347878,CC(O)C(CC(O)C[NH3+])NCC(N)=[NH2+],0,GDB ChEMBL
91191,CCC(Cc1cccc(Cl)c1C)C(C)C(C)C,1,GDB ChEMBL
346545,CC1CC(C2OC2C(O)C[NH3+])S(=O)(=O)N1C,0,GDB ChEMBL
263443,C[NH2+]C(CO)Cc1cnoc1CC(=O)NC=O,0,GDB ChEMBL
338811,C#CC(OCC)C1C[NH2+]CC1C,0,GDB ChEMBL
355184,CCC(C)(C)c1c(C(C)(C)C)ncc(F)c1C,1,GDB ChEMBL
172346,NC(=[NH2+])OCCC(O)C(NC=[NH2+])C(=O)[O-],0,GDB ChEMBL
173722,CC1=CC2C(CO)[NH2+]CCOC2C1,0,GDB ChEMBL
334458,CCC1[NH2+]CCC(C(N)=O)C2NC12,0,GDB ChEMBL
174000,NC(=[NH2+])C1(C(=O)[O-])C(O)COC2CC21,0,GDB ChEMBL
112441,CN1C(=O)C2NS(=O)(=O)C3C1C23C,0,GDB ChEMBL
377948,CCN1CCC2(C3C4CCC([NH2+]4)C32)C1C#N,0,GDB ChEMBL
271835,N#CC(=O)[N-]C1CC[NH2+]C1,1,GDB ChEMBL
79602,CCC=CC=C1CCCC(C)C1C,1,GDB ChEMBL
48504,CNC(=[NH2+])NC(C)C(CC#N)C(C)=NO,0,GDB ChEMBL
112063,CC1CC2(CCC2)C2CC1C[NH2+]2,0,GDB ChEMBL
391323,CCCC1CC(C)(CC)OCC(C)(C)CC1=O,0,GDB ChEMBL
252613,OCCCC1(O)C2COCC1[NH+]1CCC(C1)N2,0,GDB ChEMBL
47515,C=Cc1cc(OC)c(F)c(N)c1O,1,GDB ChEMBL
398906,COc1[nH]ncc1OCC(=O)[O-],1,GDB ChEMBL
281657,CCC1OC(=O)NC(=N)CC1=NO,1,GDB ChEMBL
261407,C=C(C)C1C2CCC1(C)CCC2C,0,GDB ChEMBL
298933,CCCCc1nc(F)c(O)c(C)c1CC,1,GDB ChEMBL
203613,CCC1([NH3+])CCCCCC([NH2+]CC(C)C)CC1,0,GDB ChEMBL
49119,CC(=O)NC(=O)C(=O)C(O)C[NH+](C)C,1,GDB ChEMBL
334403,C#CCCc1ccc(CC)c(C(C)(C)C)c1Cl,1,GDB ChEMBL
348464,CC1=C2CCCCCOCC2CC1,0,GDB ChEMBL
129558,O=C1NC2C(C(=O)CCO)C2C1O,0,GDB ChEMBL
386210,CC(=O)c1ccsc1CO,1,GDB ChEMBL
355380,CCOC12CCCC1C1CCCCCC2[NH+]1C,0,GDB ChEMBL
116019,CN(C)C(=[NH2+])C12CC(C(=O)[O-])NC(=O)C1O2,0,GDB ChEMBL
259485,N=CN(C=N)C(=N)CCC([NH3+])C(=O)[O-],0,GDB ChEMBL
82140,C#CCCC1([NH3+])C(C[NH3+])C1OCCO,0,GDB ChEMBL
8793,C=CCC1CC(C)C2=CC(=O)CC21,0,GDB ChEMBL
203326,CC12C(=O)NC(C(=O)[O-])(CC1C(N)=O)C2O,0,GDB ChEMBL
238012,CC1=CC(C2CC2)[NH+](CCO)C1C,0,GDB ChEMBL
337838,CC(C)C1C2CC1C(=O)N2,1,GDB ChEMBL
85847,CN1C(=O)[C-]2C(O)C(CCO)C1CS2(=O)=O,0,GDB ChEMBL
284376,CCCN=C(Cc1cnc(O)c(O)c1Br)OC,0,GDB ChEMBL
299705,CC1([NH3+])C2C3CN(CCO3)C21,0,GDB ChEMBL
141736,CCC(C)C1CCC(O)CC([NH3+])C1CC,0,GDB ChEMBL
366917,CCc1cnc(O)nc1C(=O)OCCC[NH3+],1,GDB ChEMBL
2108,CCc1ccc(NC(C)=O)c(=N)c(=O)c(C)n1,0,GDB ChEMBL
17511,CCC[NH+]1CC2CC(O)(C(C)C)C2C1C,0,GDB ChEMBL
137054,NC(=[NH2+])C1CCC2COC(=O)N(C=N1)C(=O)C2,0,GDB ChEMBL
385357,CC1CCCC(C)(C)CC1CCN(C)C=O,1,GDB ChEMBL
212569,CC(C)CC1CCC(CO)C1,1,GDB ChEMBL
279110,CN1CC(O)CCC1(CO)C(N)=[NH2+],0,GDB ChEMBL
300230,CCC1CC(=N)OC(CC)C1(C)C(=O)[O-],0,GDB ChEMBL
221928,C#CCCC1CC(CC)CC([NH2+]C(C)C)C1=O,0,GDB ChEMBL
293850,N#CCCCOCc1nnsc1NC(N)=O,1,GDB ChEMBL
204566,C#CCC1CCCC(c2cc(C)ccc2Br)C1,1,GDB ChEMBL
170454,[NH3+]C(COC=O)CC(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
655,C#CCCC1CC(C)=CCC1(O)CC,1,GDB ChEMBL
72409,CC1CC(N(C)C)C(=O)O1,1,GDB ChEMBL
244571,Cc1c(Br)cc(C2CC2)c(C)c1C(F)(F)F,1,GDB ChEMBL
104608,COCCCC1CC12[NH+](C)CCCC2(C)C,0,GDB ChEMBL
191737,CCC1([NH2+]C)CNC(=O)CC1(O)C[NH3+],0,GDB ChEMBL
40399,NC1C(=O)OCC23C(O)C[NH2+]C2C13,0,GDB ChEMBL
26459,NC(=O)n1cc(C=O)c(CC(=O)[O-])c1,1,GDB ChEMBL
382575,CCCC1CC(C)CCC1C1C[NH2+]C1,0,GDB ChEMBL
247199,Cc1[nH]nc2c1NCCC[NH+](C1CC1)CC2,0,GDB ChEMBL
187188,CC1CC(CC2OC2(C)C)C[NH+](C(C)C)C1,0,GDB ChEMBL
31772,CCCC(=O)C(=O)CCCO,1,GDB ChEMBL
276124,C=CC(C)C1CC(C[NH3+])CC1(C)O,0,GDB ChEMBL
144528,C[NH2+]C1C(O)(CO)C(O)C(OC)C1(O)C(N)=O,0,GDB ChEMBL
176461,N#CCc1c(OC(N)=O)ccc[nH]cnc1N,0,GDB ChEMBL
222605,CC1=CC2Cc3cc(Cl)c(N)cc3C2C1,0,GDB ChEMBL
275539,C#CCCC1c2cc(N)ccc2CC1C=O,0,GDB ChEMBL
227619,CCC12CCCCCC(C(C)C1)C2(C)C,0,GDB ChEMBL
312232,CCCC1(C2=CCC([NH2+]CC)C2)CC1,0,GDB ChEMBL
34847,C#CCOc1nc(NCC)c2ncnn2c1N,1,GDB ChEMBL
251421,CCC1C(C[NH3+])CC1[NH2+]C,0,GDB ChEMBL
236565,CC1CC2[NH+](C)C3CC(CC3C(N)=O)C2(O)C1,0,GDB ChEMBL
157366,C#CCNC1=NC(C)(C)C([NH2+]C)C(=O)N1,0,GDB ChEMBL
195575,CC(C)(O)C(=O)NCCc1coc([O-])nc1=O,0,GDB ChEMBL
77514,CC(=O)NC(CC(N)C[NH3+])S(N)(=O)=O,0,GDB ChEMBL
67623,C[NH2+]CC(=O)[N-]S(=O)(=O)CC#N,0,GDB ChEMBL
398193,N#CC(=CCO)C(=O)COC1CC1,1,GDB ChEMBL
201479,COC1C(C)C12CCCCC(C)C2,1,GDB ChEMBL
341203,CNC(=O)Nc1cccc(N)c[nH]c(O)n1,0,GDB ChEMBL
240769,CC1COc2c1ncc1c2CC([NH3+])C(O)C1,0,GDB ChEMBL
76040,CC([NH3+])C[NH2+]C1CC=CC1C,0,GDB ChEMBL
355192,C=CC(CN1CC1C[NH3+])C(O)CC,0,GDB ChEMBL
299552,CN1C(=O)C(C[NH3+])(CC(=O)[O-])C=CCS1(=O)=O,0,GDB ChEMBL
280739,NC(=O)c1ncc(Cl)nc1N,1,GDB ChEMBL
391616,CC(=O)COc1cc(F)cc(O)n1,1,GDB ChEMBL
112607,NC(=O)C1([NH3+])CC(C(=O)[O-])N2CC21,0,GDB ChEMBL
174015,CC(C(N)=O)N1C(C)C12CCCOC2,0,GDB ChEMBL
104948,NC(=O)NC1C2CC3[NH2+]CC(O2)C31,0,GDB ChEMBL
352191,CC1[NH2+]C2CC3CCOC3C1CCCC2(C)C,0,GDB ChEMBL
181605,CCC(CC1CO1)[NH+]=C(N)N,0,GDB ChEMBL
382977,NC(=O)CNCCS(=O)(=O)CC1CC1O,0,GDB ChEMBL
134000,N#CC1CC([NH3+])C(O)C(S(N)(=O)=O)O1,0,GDB ChEMBL
78645,COC1CC2(CCO)CN2C1C=O,0,GDB ChEMBL
236694,CN1CC(=O)CC(O)C(C(O)C(C#N)CO)C1,0,GDB ChEMBL
297278,CCN1CC2(C1)[NH2+]CCC2OC,0,GDB ChEMBL
200749,CCCC1CCC(C)(O)C(CO)(CO)C1,0,GDB ChEMBL
72016,CCC(C)CC(C)OC(C)(C)CC(C)=O,1,GDB ChEMBL
322862,CNC(=O)c1c(O)nc(F)c([O-])c1C#N,0,GDB ChEMBL
253596,C#CC1C=CCCCC1(C)O,1,GDB ChEMBL
363192,C=CCC1C=C(CCC[NH3+])C=C1C,0,GDB ChEMBL
59622,Cc1cc(N)sc1C1CC1,1,GDB ChEMBL
227737,CCCC#CC1=CC[NH2+]CC(OC)C1,0,GDB ChEMBL
333646,O=CC(=CNCC(=O)[O-])CC1CC1,0,GDB ChEMBL
283221,Cc1cc2c(s1)CC1CCOC1C2,0,GDB ChEMBL
383322,CC1CC2=CCCC=CCCC1C2,0,GDB ChEMBL
112897,CC1CC2C(=O)NC3(C)CC(C)C(C1)C23,0,GDB ChEMBL
392529,CCC1CC2OCC(C)(C)C2(CCC[NH3+])C1O,0,GDB ChEMBL
121747,CC1CNC(=O)C2OS(=O)(=O)NC2C1O,1,GDB ChEMBL
380627,CCCc1cc(O)nc(-n2cccc2)n1,1,GDB ChEMBL
4993,CNC(=O)NCC(O)(C(C)C)C1(C)COC1,0,GDB ChEMBL
182086,C#CCC(O)C(C=O)[NH+](C)CC,0,GDB ChEMBL
304027,C#CC1(O)C(CO)OC(=O)C(N)C1C[NH3+],0,GDB ChEMBL
60632,COC1(C#N)COCC(=O)C(CCCO)C1O,0,GDB ChEMBL
104929,COCC(CNC=O)(NC(=O)CO)C(=N)OC,1,GDB ChEMBL
362395,COC1CC2(C=CCC2O)CC(O)C1C,0,GDB ChEMBL
358304,C=CC1=CCC(=O)CC([NH+](C)C)C1,0,GDB ChEMBL
358193,CC12Cc3cccnc3CC1N(C=N)C2=O,0,GDB ChEMBL
379892,Fc1ccc2c(c1)C=C1C=CC3CC13C2,0,GDB ChEMBL
88187,NC1C(=O)NCCOC1c1cnc(CO)s1,0,GDB ChEMBL
20094,NC(=O)OC1CCC[NH+]=C(N)CC1,0,GDB ChEMBL
12852,CCC1CC=CC2C(=O)NC(=NC1)C2OC,0,GDB ChEMBL
21867,CC1(C)[NH2+]CCC1CO,1,GDB ChEMBL
355122,N#CCC(=N[O-])c1nccc(N)n1,0,GDB ChEMBL
331729,CC(=[NH2+])N(C)CCS(C)(=O)=O,0,GDB ChEMBL
185271,Cc1ccn(CCC(C)(C)C)c1N,1,GDB ChEMBL
230260,CCC1(C)COC(C(C#N)C[NH3+])C1C,0,GDB ChEMBL
354086,C#CCCC1(C)CC2C(C)CC(C)C2C1,0,GDB ChEMBL
115058,CCC(C)C1CCC(C(C)C)C(CC(C)C)C1,1,GDB ChEMBL
292302,COc1cn2c(=O)c(N)ccc2cc1C#N,1,GDB ChEMBL
251425,C[NH+]1CCC(C2COCC2[NH3+])C(C(O)C#N)C1,0,GDB ChEMBL
325893,[NH3+]C1CCC2(C1)CC(CO)CC(O)C2O,0,GDB ChEMBL
64641,N#CCC1CC2NC1C(O)(C(N)=O)C2=O,0,GDB ChEMBL
81417,C#CC1(CO)C(=[NH2+])N(C)CC1(O)CC(C)OC,0,GDB ChEMBL
111551,CCC1CCC2OC2(C)C[NH2+]1,0,GDB ChEMBL
61717,CC(C)(C)C[NH+]1C2CCC1CC2,0,GDB ChEMBL
236657,COCC1(CO)C(OC(N)=O)C1C(N)C[NH3+],0,GDB ChEMBL
76770,NS(=O)(=O)CC1CC([NH3+])C1C1CNC(=O)O1,0,GDB ChEMBL
285575,CC1C2CNC(=O)C3OC2CC31,0,GDB ChEMBL
354761,CC1CNCC(=[NH2+])NCC(=O)NC(C(C)C)C1,0,GDB ChEMBL
40019,C#Cc1c(C)ccc2c1NC(C(C)C)C[NH2+]C2,0,GDB ChEMBL
159900,[NH3+]C(CO)(CCC(=O)[O-])C(=O)[O-],1,GDB ChEMBL
216564,COC1(C)C(N)=[NH+]CC1C,0,GDB ChEMBL
394938,CN1C(=O)NC(=O)C1(C(N)=O)C1(C)CN1,0,GDB ChEMBL
117388,CC[NH+](C)CC1(C)C=C(CO)CC([NH2+]C)C1,0,GDB ChEMBL
94654,CCC1(N)C2C(=O)OC(CC[NH3+])C21C#N,0,GDB ChEMBL
305951,CC12CC(NC1(CC#N)CC(=O)[O-])C(=O)N2,0,GDB ChEMBL
50066,CC1CCCCC(=O)C[NH2+]1,0,GDB ChEMBL
98579,C#CC1=CCc2ccc(C#C)c(Cl)c2CC1,0,GDB ChEMBL
370303,N=C(NCC(=O)NC(N)=O)C(=O)[O-],1,GDB ChEMBL
248616,C#CCC1CCC(CC)C([NH3+])C1,0,GDB ChEMBL
136078,CC1[NH+]=C(N)CC(C(=O)[O-])C12CO2,0,GDB ChEMBL
11235,CC#Cc1cc(CC(=O)[O-])sc1C,1,GDB ChEMBL
109765,CC1NC(N)=[NH+]C1CN(CC#N)C(C[NH3+])CO,0,GDB ChEMBL
176473,C#CCC[NH+](C)C(C)C#CC,0,GDB ChEMBL
35492,CC1(C(N)=O)CCCCC1,1,GDB ChEMBL
126406,CC(=O)Nc1cc(F)c(N)c2c1[NH+]=C(N)NC2,0,GDB ChEMBL
132708,CC1CC(OC(=O)C2COCC2O)C(O)C[NH2+]1,0,GDB ChEMBL
398798,Cc1cc(C)cc(C([NH3+])C(C)(C)NCC#N)c1,0,GDB ChEMBL
161111,C#CCC(C)CC(CCC)CC1CC1[NH3+],0,GDB ChEMBL
304868,CC(=O)NC(C(N)=O)C1(O)C([NH3+])CC1O,0,GDB ChEMBL
173700,CS(=O)(=O)NC(=N)C1=CC(=O)OCCN1,0,GDB ChEMBL
389613,COC1C2C[NH2+]C1C1(CO1)C2C(=O)[O-],0,GDB ChEMBL
177340,NS(=O)(=O)C1OC2C[NH2+]C(CC2O)C1CO,0,GDB ChEMBL
127710,COC(C#N)CC1(COCCO)CC1[NH3+],0,GDB ChEMBL
160976,O=C1CC2CC(=O)OC2CN1,1,GDB ChEMBL
34457,CCCCCOC(CCC(C)C)C(CC)OC,1,GDB ChEMBL
101548,CCC1[NH2+]Cc2c(Cl)cccc21,0,GDB ChEMBL
372684,COC1C2NC(N)=[NH+]C1C(CNC(N)=[NH2+])C2O,0,GDB ChEMBL
103392,O=CC(O)(CO)CNC(=O)CCCO,1,GDB ChEMBL
161939,CC1C(N)=[NH+]C(CC(C[NH3+])CO)C1C,0,GDB ChEMBL
277724,C#CCNCC(CC)(CO)C(N)=[NH+]CC,0,GDB ChEMBL
227730,O=C(CCCn1ncnn1)NCCO,1,GDB ChEMBL
312230,COCC(OC=O)C(O)C(=O)[O-],1,GDB ChEMBL
151233,CCn1nccc1COC(C)=N,1,GDB ChEMBL
210241,COC1C(C)C1(N)C[NH+]=C(N)N,0,GDB ChEMBL
40402,N=C(N)NC(=O)C1C(N)=[NH+]CC1O,0,GDB ChEMBL
222094,CC(C[NH3+])C(CO)C(O)C1CN1,0,GDB ChEMBL
173726,CC1=CCCCCC(O)C[NH+]2CC1C2,0,GDB ChEMBL
380587,CCC(=O)OC(=N)Cc1[nH]ccc1C(C)(C)O,1,GDB ChEMBL
377784,C=CCC(CC)CC(CC)C(=C)C,1,GDB ChEMBL
122009,CC(=O)Oc1cn(CC(C)C(=O)CO)c(O)n1,1,GDB ChEMBL
382174,CC1CC=CCCC1[NH2+]CCC(F)(F)F,0,GDB ChEMBL
273457,CCC[NH2+]C1CC(C)C1(C)C[NH3+],0,GDB ChEMBL
73819,CC12CCCC[NH+](CC1)C2CCCCCC[NH3+],0,GDB ChEMBL
197070,CC1CC2OC1C1(C)CCC[NH2+]C21,0,GDB ChEMBL
382226,CC(CN1CC2(O)COC(=O)C1C2)=NO,1,GDB ChEMBL
372667,C#CC(C(=O)OCC)N(C)C,1,GDB ChEMBL
376027,C#CC(C)(c1ncc(C)cc1F)C(C)C,1,GDB ChEMBL
99580,CC1COC2C[NH2+]CC=CCN1C2C,0,GDB ChEMBL
24019,CC#Cc1cc(N)c(C)c(Br)c1,1,GDB ChEMBL
89336,CCC(O)C(O)C1(C(=O)[O-])CC(N)C[NH2+]1,0,GDB ChEMBL
204510,CN1CCCC(C=NO)N=C(CO)OC1=O,0,GDB ChEMBL
318087,CCCC(c1c(I)cc(C)cc1CC)C(C)C,1,GDB ChEMBL
186014,CCC(C(C)C(C)C(C)[NH3+])C1OC1(C)C,0,GDB ChEMBL
93727,CCc1ccc2c(c1)CC(=O)C1C=CCC21,0,GDB ChEMBL
367658,CC1[NH2+]CC(CNC(N)=O)CC1NC=O,0,GDB ChEMBL
204517,COc1cccoccc(C[NH3+])c1NCCO,0,GDB ChEMBL
96091,CC1NC2C(=O)NCC2(CO)C2OC12,0,GDB ChEMBL
194223,OC1CC=CC2CC2C=CC1,0,GDB ChEMBL
218365,FC(F)(F)C1C2CC(CC[NH2+]2)CCC12CC2,0,GDB ChEMBL
43940,CCC(C)([NH3+])C1(C)COC(C)(C)C(C)C1,0,GDB ChEMBL
349484,COCC(O)c1ncc(C(N)=O)o1,1,GDB ChEMBL
383741,O=C1C2CC=CCCCC2C2NC2C1CO,0,GDB ChEMBL
30358,CC(CO)C(C)(C)[NH3+],1,GDB ChEMBL
86730,CCC(CC)CC1C[NH2+]C(CCC#N)C1(C)C,0,GDB ChEMBL
67595,Cn1cccc1C1C=CC2[NH2+]CC2CC1O,0,GDB ChEMBL
248606,C[NH+](CCO)C12CC3C(C1)C3C2,0,GDB ChEMBL
156073,CC1NCCC#CCOC1=O,1,GDB ChEMBL
368404,CCCC(O)C=C1C(=O)CNC1C,1,GDB ChEMBL
157063,CC(C)C(O)COCCO,1,GDB ChEMBL
31821,Cc1c(Br)cc(C2CCC2)c(Br)c1C,1,GDB ChEMBL
389621,CC1(C)NC(=O)CC2(C(N)=O)CC1CO2,0,GDB ChEMBL
318410,CC1CC2CC(C)C(C)(C2)C1[NH+]1CCC1,0,GDB ChEMBL
354003,Cc1cc(F)c2c(c1-c1ccccc1)NCC2,1,GDB ChEMBL
124269,CCC1CC(CC(C)[NH3+])=CC1C,0,GDB ChEMBL
321372,CCCCC1CCC2(C)C=CCC(C1)C2,0,GDB ChEMBL
294247,COC(C)CC([NH3+])C1OC(C)(C[NH3+])CC1OC,0,GDB ChEMBL
26829,C#CC#CCNCC(=O)NCC(C)(C)[NH3+],0,GDB ChEMBL
75815,CC(CO)CCN1CC1C(C)O,1,GDB ChEMBL
269326,C#CCc1cc(F)c2c(c1F)CCC2,1,GDB ChEMBL
200774,Cc1ncc(CC[NH3+])cc1I,0,GDB ChEMBL
285136,N#Cc1cc2nn[nH]c2c(C(=O)CO)c1N,1,GDB ChEMBL
347910,CC(O)C1C2OC(=O)CNC2C1[NH+](C)C,0,GDB ChEMBL
160009,CCCC(C)(CO)CC1(C)Cc2sccc2O1,0,GDB ChEMBL
229475,CN1CC2(CO2)C2C1C(=O)[N-]S2(=O)=O,0,GDB ChEMBL
354066,CC1(C)CC(C(N)=O)=CCC1O,1,GDB ChEMBL
337792,CNC(C(N)=O)C1(O)C(C)C1[NH2+]C,0,GDB ChEMBL
95874,Nc1c(Br)ccc(C2CC2)c1N,1,GDB ChEMBL
215268,NC(=[NH2+])N1CC(C[NH3+])C(NC=O)C1,0,GDB ChEMBL
277771,C[NH2+]C1C([C-](C#N)C#N)=CN(C=O)CC1O,0,GDB ChEMBL
195356,CCC(O)C1[NH2+]C2CC2C1C,0,GDB ChEMBL
398807,CC12CC3CC1CC(C)(C)[NH+]3C2,0,GDB ChEMBL
354749,CC1CC2CC2C(CO)C1CCO,0,GDB ChEMBL
136159,C#CC1CCN(C=O)CCCC1(CC)CCO,0,GDB ChEMBL
135815,CCN1CC=C2C3C(=O)OCCC3[NH2+]CC21,0,GDB ChEMBL
39730,CCC(C(N)=O)C1(C)CN1C1=NCCO1,0,GDB ChEMBL
69579,[NH3+]CC1(C=CC(=O)[O-])C=CCC=C1,0,GDB ChEMBL
354063,CC(C)C(CC(=O)CO)[NH2+]C1CN(C)C1,0,GDB ChEMBL
33879,O=C1OCCC(O)CC1CO,1,GDB ChEMBL
112538,COC1C(N)C[NH2+]CC2CC2C1C[NH3+],0,GDB ChEMBL
16533,C[NH2+]C1CC2COC(=O)C1O2,0,GDB ChEMBL
358834,Cc1cc(F)cc2c1C1CC(C2)C1(C)C,0,GDB ChEMBL
335472,C[NH2+]C1CC2OC1C1(C(=O)[O-])[NH2+]CCCOC21,0,GDB ChEMBL
314949,C#CC1C(C2=CCC(C)C2CCC)C[NH+]1C,0,GDB ChEMBL
142923,COCCCC1CC=CC(=NO)CC[NH2+]C1,0,GDB ChEMBL
362202,C#CC1C2CCC(C(C)CC[NH+]1CC)C(O)C2,0,GDB ChEMBL
340451,CCc1cc2cccc(C(C)(C)C)c2cc1I,1,GDB ChEMBL
65641,OC1CC[NH+]2CCCCC13CC23,0,GDB ChEMBL
308112,Brc1ccc2c(c1)CC=CCC1CCC21,1,GDB ChEMBL
375518,C[NH+](CCO)CCC(N)S(=O)(=O)[O-],0,GDB ChEMBL
358471,COc1ncc(C)n1C(C)(C)CC(=O)CO,0,GDB ChEMBL
189992,CC1CC2(O)C[NH+](C(C)C)CC=C2C1[NH3+],0,GDB ChEMBL
200612,CC(C[NH3+])OCC1NCCCN(C(N)=[NH2+])C1=N,0,GDB ChEMBL
79482,[NH3+]CC1NC2C(=O)NCC1NC2C(O)CO,0,GDB ChEMBL
7402,CC1=CC2OC(CC1)COCCC2(C)C,0,GDB ChEMBL
83033,CCCC1CCCC2C=CCCC2C1,0,GDB ChEMBL
236523,O=C1NC(CO)C2CC(C3OC13)S(=O)(=O)N2,0,GDB ChEMBL
15552,CCCCC1(C)CC(C)([NH2+]C)CC1(C)CCC,0,GDB ChEMBL
395165,Cc1ccn(CC2(C)CC(=O)N3CC32)c1,0,GDB ChEMBL
261321,CC(C)CC1C(C)C(C)C2CCCC21,0,GDB ChEMBL
73318,C#CCCn1cc(CC#N)cc1[N+](=O)[O-],1,GDB ChEMBL
153244,CC(=O)OC1c2[nH]c(=O)cnc2NCC1CO,0,GDB ChEMBL
302264,CNC1(CC(N)=O)COCCN(C(N)=[NH2+])C1,0,GDB ChEMBL
274658,Cc1nc(N2CC(N3CCC3)C2)no1,1,GDB ChEMBL
122907,O=CC(C=O)c1ccccc1,1,GDB ChEMBL
159903,COC1COCC2(CCNC2=O)CCC(C)O1,0,GDB ChEMBL
252308,CC[NH2+]Cc1ccnc(CCNC=O)n1,0,GDB ChEMBL
281692,O=C([O-])c1ccc(C#CS(=O)(=O)[O-])nc1,0,GDB ChEMBL
95881,Oc1ccc2c(c1)CCC(O)C1COC2=N1,1,GDB ChEMBL
292181,Nc1nc(O)cn1CC([NH3+])(CCO)C(=O)[O-],0,GDB ChEMBL
21747,CNC(=O)C1CC2COC21,0,GDB ChEMBL
354613,CC(O)CN=C(CC[NH3+])NC=O,0,GDB ChEMBL
231132,C[NH2+]C1C(O)C(O)C2(CC(N)=O)OC12,0,GDB ChEMBL
323976,CCn1nnc2ncc(O)nc21,1,GDB ChEMBL
214891,COC1C2CC(C[NH+](C)C)C(NCC[NH2+]2)C1C,0,GDB ChEMBL
344283,OCC1OC2COC(C1O)C2O,1,GDB ChEMBL
328823,C[NH2+]CC#CCCC(C)(C)C(O)C(C)C,0,GDB ChEMBL
357601,CCC1CC2CC(=O)CC1C=C(C)C2,0,GDB ChEMBL
304406,CC(C)C1C(=N)NC(=O)CC(O)C1C#N,0,GDB ChEMBL
383034,COC1CC(O)C(=O)NCCS(=O)(=O)C1=O,1,GDB ChEMBL
72015,CC1CCC23CNC(=O)C2C13,0,GDB ChEMBL
246811,O=C([O-])C12CC1(C1CO1)CNC2=O,0,GDB ChEMBL
386569,C[NH2+]CCC#CC(O)C(C)(C)C(N)=O,0,GDB ChEMBL
196479,C[NH+]1CCC2C1C1(C)CCCC2(C)CC1,0,GDB ChEMBL
93760,NC1=[NH+]C(CO)C2CC([NH3+])C(O)C12,0,GDB ChEMBL
38173,C#CCCC(COC)C(C)C,1,GDB ChEMBL
106012,CCC(CC)C(C)c1ccc(F)cc1,1,GDB ChEMBL
375473,CCC[NH2+]CCOc1cc(C)cc(Cl)n1,1,GDB ChEMBL
84456,CNC(C[NH2+]CCC[NH3+])C1(CO)NCCC1[NH3+],0,GDB ChEMBL
383781,CC(C)C1CCC=C(C2CO2)C[NH2+]1,0,GDB ChEMBL
102277,COC1CC(=O)NCC2(C)CC([NH3+])CC12,0,GDB ChEMBL
76991,O=C1NC2C3NS(=O)(=O)C(CCC3CO)C2N1,0,GDB ChEMBL
339074,CC1=CCCC2(CCC1)CC1C=CCC2C1,0,GDB ChEMBL
97163,CCCCC#CC(C)(C)C[NH3+],0,GDB ChEMBL
302469,CNC(=O)C(O)C(N)CS(N)(=O)=O,0,GDB ChEMBL
22870,CC1C(C[NH+](C)C2CC2)CCC12CC2,0,GDB ChEMBL
18802,CCC(N)(c1ccncc1Cl)C(C)[NH2+]C,0,GDB ChEMBL
238580,C[NH2+]C12CCC3C1CN(C(C)=O)C32,0,GDB ChEMBL
116089,Cc1cc2oc(C#N)cc2cc1I,1,GDB ChEMBL
284350,CC(C)C1[NH2+]CC1N(C)C,0,GDB ChEMBL
31369,COCC12C=CC(CCCCC1)[NH2+]2,0,GDB ChEMBL
323146,CCC(C(=O)[O-])C1(C)C(=N)OCC1=O,0,GDB ChEMBL
209846,Fc1ccc2cccc(F)c2c1,1,GDB ChEMBL
115248,CC1C2C=CCCC(C)(C)C1[NH2+]C2,0,GDB ChEMBL
284707,CCC12CCCC1[NH+](C)CCC2,0,GDB ChEMBL
278004,C#CCc1ccc(Cl)c(Cl)c1CC,1,GDB ChEMBL
302615,C1CC2C3CCC([NH2+]3)C2C[NH2+]1,0,GDB ChEMBL
23998,N#CC1[N-]C(=O)N2C(=O)C3OCOC3C([NH3+])C12,0,GDB ChEMBL
93451,CN(CS(N)(=O)=O)C(=[NH2+])NCCO,0,GDB ChEMBL
31286,CC(C(=N)N(C=O)C(=O)CN)c1ccon1,1,GDB ChEMBL
271787,CCC1CC(C)[NH2+]C2Cc3ccc(F)cc3C12,0,GDB ChEMBL
351393,CCC1=[NH+]CC(N)(COCC(C)C)CCN1C,0,GDB ChEMBL
277948,Cc1ccc(I)cc1CC1N(C)C1(C)C,1,GDB ChEMBL
269214,CC(=O)NC1CC[NH2+]C2CC12C,0,GDB ChEMBL
87049,CC1(C)CCNC(=O)C(N)C(=O)N1,1,GDB ChEMBL
322859,Cc1cc2c(cc1F)C=C(C(C)C)C=CC2,1,GDB ChEMBL
298063,CCCC(C)[NH+]=C1NCCN2CC(=O)NCC12,0,GDB ChEMBL
271077,CC1C(=O)C(C(N)=O)N(C)CC2(CO)OC12,0,GDB ChEMBL
380589,CCCCC1(CC)CCCC2CC1CC2C#N,0,GDB ChEMBL
177992,CC(C)N1CC([NH3+])C2CCOC(C#N)C1(C)C2,0,GDB ChEMBL
302311,C#CC(C)C(CC)C[NH+](C)CC,0,GDB ChEMBL
188482,CC(=N)OC(C(=O)[O-])C([NH3+])(CO)CC(=O)[O-],0,GDB ChEMBL
29188,CC(C)C1(CC2CC2)CCC(C)(C)C1,1,GDB ChEMBL
46922,CC1CC1S(=O)(=O)NCc1cncs1,1,GDB ChEMBL
248853,NC(=O)NC(=O)OCCCOC=O,1,GDB ChEMBL
259091,CNC(=O)C(O)C(C)c1noc(C)n1,1,GDB ChEMBL
161821,CCCOc1ccnc(=N)c(C(C)(C)[NH3+])c1C,0,GDB ChEMBL
118155,CCCOC1CC1[NH2+]C1CCC1,0,GDB ChEMBL
334689,CCC1C([NH3+])C2C([NH3+])C1CC2(C)C[NH+](C)C,0,GDB ChEMBL
24011,C#CCNC(C[NH2+]CC)COc1cc[nH]n1,0,GDB ChEMBL
372106,CCc1ccoc(=N)c1C1CCC([NH2+]C)C1,0,GDB ChEMBL
386507,CCOCC([NH3+])CCC(CC#N)[NH2+]C,0,GDB ChEMBL
314138,CCC(=O)C1(C)C2C=CCOC1C[NH2+]2,0,GDB ChEMBL
75476,NC(=[NH2+])C#CC(=O)NC(CO)C(O)CO,0,GDB ChEMBL
87527,CC1CC2C[NH+](C)C2C1O,0,GDB ChEMBL
12805,CCCC(=CC1(C[NH2+]C)CC1)CC,0,GDB ChEMBL
201709,C#CCC(CCCOCC(C)C)C1=[NH+]CCN1,0,GDB ChEMBL
240475,CC1CC2=NCC(N)C3CCCC[NH2+]C3C1O2,0,GDB ChEMBL
95171,N#CC1C(C=O)CN1CCC(N)=O,1,GDB ChEMBL
151121,C[NH+]=C(N)CC1CCC(C)C=CCC[NH2+]1,0,GDB ChEMBL
66678,CC1C2CC(O)C3(C)C[NH+]2CC13,0,GDB ChEMBL
362824,CCc1nc(=NCCC(N)=O)c(C)no1,0,GDB ChEMBL
181519,CN(CC#N)CCCn1ncc(N)n1,1,GDB ChEMBL
321823,CCC([NH3+])C(OC)C([NH3+])CO,0,GDB ChEMBL
177226,Cc1ccc(C[NH+]=CNCC(C)[NH3+])c(C[NH3+])c1,0,GDB ChEMBL
372076,CC1=CC(=O)C2[NH2+]CCOCC12,0,GDB ChEMBL
114818,CC(OC1COC1)c1ccn(C)n1,1,GDB ChEMBL
389057,COC1(C)CN(C)C(C(N)=O)C(N)(C[NH3+])C1O,0,GDB ChEMBL
24269,CCC(CC)C(O)CC1(C)OCCO1,1,GDB ChEMBL
115183,CC1CC2OC(C)C(C)[NH2+]C2CNCC[NH2+]1,0,GDB ChEMBL
191577,CC(O)C(c1cc(O)ncn1)N(C)C=[NH2+],0,GDB ChEMBL
348615,C#CC(CC)C1CCCCCC1CCC(C)C,0,GDB ChEMBL
251404,CC12CC(C(CO)O1)C(O)C2C[NH3+],0,GDB ChEMBL
195386,CCC1C2CC[NH2+]CCC(C[NH+]1C)NC2CO,0,GDB ChEMBL
1076,C1CCC2(CC1)C1C[NH2+]CC12,0,GDB ChEMBL
21718,N=C1NS(=O)(=O)CCCC([NH3+])CO1,0,GDB ChEMBL
77856,C#CC(CC)(CCc1ccco1)OCC(C)C,1,GDB ChEMBL
109534,CCCC1(C)C([NH3+])C1CC[NH3+],0,GDB ChEMBL
45998,C=CC1CC=CCC=C1CCCC,1,GDB ChEMBL
369324,CCC(=O)N(C=N)C(CC(C)O)C(=O)[O-],0,GDB ChEMBL
203465,C#CCCC(CO)CC(C)c1cccc(C)c1,0,GDB ChEMBL
4806,CCC(=O)N1CC1CC(C)C,1,GDB ChEMBL
397963,CCC(O)C(NC=O)C(=O)CC(N)=[NH2+],0,GDB ChEMBL
29914,CC1CCCOC(=O)CC=CCC(O)C1,1,GDB ChEMBL
374313,N#CC1CC2C(CCN1)C(=O)C1OC12,0,GDB ChEMBL
1042,CCC1CCC(CC)C2C=CC=CC1C2C,0,GDB ChEMBL
300964,CCC(CC(C)C)NC(=O)C1CO1,1,GDB ChEMBL
23549,CC1C(=O)N(CCC#N)C(CO)(C(C)[NH3+])C1[NH3+],0,GDB ChEMBL
42222,[NH3+]CCOC1C(O)C([NH3+])C2CC21O,0,GDB ChEMBL
330781,CC(=[NH2+])NC1C(N)C1(C(=O)[O-])C(O)C(N)=O,0,GDB ChEMBL
17334,CC1CCC([NH3+])CC(O)CC1,0,GDB ChEMBL
111570,C#CC1C(C)[NH2+]C(C)CC1OC(=O)CC,0,GDB ChEMBL
67614,CC(C)C1CCC(C(C)(C)C)C(C)CCOC1,0,GDB ChEMBL
30330,C#CC1OC(=O)C(=O)NCC2[NH2+]CCC1C2C,0,GDB ChEMBL
300127,CCC(C)=CC(CC)CC(C)CC,1,GDB ChEMBL
337827,COC(CC(O)C(C)C=O)C(C)C(C)O,1,GDB ChEMBL
231163,Cc1ccc(OC(C#N)CO)c(Cl)c1O,1,GDB ChEMBL
339125,CCCC1C[NH2+]CC(O)C(C#N)C(CC=O)O1,0,GDB ChEMBL
135834,C[NH2+]C1CCCCC(O)C2(OC)C(O)C12C,0,GDB ChEMBL
191738,CCOC1C=C(CS(N)(=O)=O)C(=O)O1,0,GDB ChEMBL
397058,CCC12C[NH+](C)C1C1CCC2C1,0,GDB ChEMBL
44553,Cc1nc(=O)[nH]c([O-])c1OCC1CC1,0,GDB ChEMBL
341873,CCC(=O)n1c(CO)ncc(C)c1=O,1,GDB ChEMBL
242627,C=C(C#N)NS(=O)(=O)CCCC(N)=O,1,GDB ChEMBL
132325,CN=C1C(C=O)OCCCN1C(C)CC[NH2+]C,0,GDB ChEMBL
266255,CC1=CC2C(C)(C)CCCC2(C)CC1C,0,GDB ChEMBL
320783,COC1CCC2(CC1)OCC1(C=C2C)CC1,0,GDB ChEMBL
179439,CC(C)N1C(=O)CNC(=[NH2+])NCCS1(=O)=O,1,GDB ChEMBL
207933,C[NH2+]CCn1cnc([NH+]=C(N)N)n1,0,GDB ChEMBL
28271,N#CC(CO)C(C#N)CO,1,GDB ChEMBL
70945,C#CC1=CC(C)(CCCCC)CCC([NH3+])C1,0,GDB ChEMBL
195390,CC1[NH2+]CC1C(=O)NCC[NH3+],0,GDB ChEMBL
156528,[NH2+]=C1NCC([NH3+])(CCCO)CO1,0,GDB ChEMBL
38216,CC1CC2(C)CC(CCC(O)CC2=O)C1C,0,GDB ChEMBL
374341,CC1(C#N)NCC(=O)NC2C([NH3+])CC21,0,GDB ChEMBL
318040,Brc1ccc(Br)c2c1CCCCC2,1,GDB ChEMBL
201416,CCCC(=O)C(C)CC1CC2CN2CC[NH2+]1,0,GDB ChEMBL
172359,CNC(=O)C1CN=C(C)OCCC(=O)C1[NH2+]C,0,GDB ChEMBL
197216,COC(C)CC1CCC2(C)CCC[NH+]2C1,0,GDB ChEMBL
201116,CCN1CCn2nc(OCC[NH3+])cc21,0,GDB ChEMBL
120860,COCCN=CNc1sncc1C(N)=[NH2+],0,GDB ChEMBL
342339,CCOC(=O)CNCc1nc(O)ns1,1,GDB ChEMBL
80499,CCCC1C(CC)(CC)CCC(C)[NH2+]C1(C)C,0,GDB ChEMBL
363017,O=CCCc1cc(Cl)ccn1,1,GDB ChEMBL
366561,CCC(=O)CCCNC(N)=[NH2+],1,GDB ChEMBL
836,CNC(=O)CCOCCOC=N,1,GDB ChEMBL
184914,CNC(C#N)C12CC(=O)C(O)C(OC1=O)C2O,0,GDB ChEMBL
193339,COCC1CC(C)CC23CCC2CCCC13,0,GDB ChEMBL
309808,C[NH+]=C(N)N1C=C(CCCO)C(=NO)CC1,0,GDB ChEMBL
235673,C#CC1C2CCCC1C(C)CCO2,0,GDB ChEMBL
338490,Cc1ccc(C2CC2)o1,1,GDB ChEMBL
268116,NC(N)=[NH+]CC(O)C([NH3+])CNC(=O)CO,0,GDB ChEMBL
346821,CC(O)C1NC1(CC(N)C#N)C(N)=O,0,GDB ChEMBL
66662,CCOc1c(OCCCO)n[nH]c1C,1,GDB ChEMBL
346983,CCCC1CC(C)C(CCC)(CC(F)(F)F)C1,0,GDB ChEMBL
311694,CC(C)(C)OC1CC1OC1CCOCC1,1,GDB ChEMBL
290299,C[NH+]1CC2C(O)CCC3C(C2C1)C3(C)C,0,GDB ChEMBL
300936,CCc1c(F)c(CC(C)C)cc(F)c1C(C)C,1,GDB ChEMBL
23475,CC1=CC(C)NC(=O)CC1,1,GDB ChEMBL
184237,C#CC[NH2+]C(CC#C)C1CC1C,0,GDB ChEMBL
195517,CC1C(CS(N)(=O)=O)C(O)C(O)C1([NH3+])C(=O)[O-],0,GDB ChEMBL
165977,CC1CC2OCCC1(C)C2C1CC1,0,GDB ChEMBL
40865,Cc1cnc2c(c1C)CC1(C)CCC(C)C1C2,0,GDB ChEMBL
151791,CCC1CC(=O)CC2(OC)CC12C#N,0,GDB ChEMBL
104396,CCCc1nc(F)cc(C)c1CC#CCO,1,GDB ChEMBL
366009,CC(O)CCOC(=N)CCO,1,GDB ChEMBL
201446,CC1CN1C1(C)CC[NH2+]CC1CO,0,GDB ChEMBL
205782,CC1[NH2+]CC2C3CC([NH3+])C(OC3=O)C12CC#N,0,GDB ChEMBL
4792,NC(=O)OCC([NH3+])C(C[NH3+])CO,0,GDB ChEMBL
61003,CC1CCCCC2(C)CC(C)CC(C)C2C1,0,GDB ChEMBL
274030,CCC(=O)CC1(CCN(C)C)[NH2+]CCCC1C,0,GDB ChEMBL
288466,CCCC=C(C)CCC1(C)CC1C,0,GDB ChEMBL
265522,C#CCC(C)(C)C1CCC2(CC1)CC2,1,GDB ChEMBL
83061,CC1CCCN1C(=N)C(N)=O,1,GDB ChEMBL
385953,N#CC1(C(N)=O)CC([NH3+])C(O)CC1N,0,GDB ChEMBL
202046,COC(C)(C(=N)NC(C)=O)C(C)C(O)C[NH3+],0,GDB ChEMBL
350889,CCc1cc2c(C)cc(N)cc2cc1I,1,GDB ChEMBL
6801,N=C(N)NC(=O)c1ccnc(N)n1,1,GDB ChEMBL
255333,CC(C(=O)[O-])C1=CCOC12CC2,0,GDB ChEMBL
81094,CC([NH3+])Cc1cnc2c(c1Br)CNC2,0,GDB ChEMBL
389354,C[NH2+]C1CCNCC(C#N)(CC#N)C1,0,GDB ChEMBL
390114,COC(=O)C1CN2C(C#N)C12,0,GDB ChEMBL
217090,C[NH2+]CC1CCC[NH2+]Cc2ccc(cc2I)C1,0,GDB ChEMBL
140272,[NH3+]C1C(O)CNC(=O)NC(=O)OCC1O,0,GDB ChEMBL
67383,CCCCCC(CCC)C(C)(C)C,1,GDB ChEMBL
29241,CCc1ccncoccc1C#N,0,GDB ChEMBL
83482,C#Cc1ccc(N2C(=[NH2+])C3CCC2C3)cc1Br,0,GDB ChEMBL
54053,CC1C[NH2+]C(C)CC(C#N)(C=O)[N-]C(=O)N1,0,GDB ChEMBL
299151,O=C1CC(C2(O)CC2C(=O)[O-])CN1,1,GDB ChEMBL
94898,CC1C(O)C2CCN1CC(=O)C2O,0,GDB ChEMBL
382198,CC(O)C1CC2C3CC(C3)C2C1,0,GDB ChEMBL
162504,[NH3+]CC(=O)NC1CNS(=O)(=O)C2OC12,0,GDB ChEMBL
13859,CNC(CO)=[NH+]C(C)C(=O)[O-],0,GDB ChEMBL
160862,CCC(C)CC(CC(C)(C)C)C1CC1,1,GDB ChEMBL
266194,COC1CC12C=CCC[NH+]1CCC(C[NH2+]2)C1,0,GDB ChEMBL
137446,C#CC1(CCCC)Cc2cccc(Br)c2C[NH2+]1,0,GDB ChEMBL
234942,C#CC1CCCC(CO)CCCC=C1CC,0,GDB ChEMBL
114770,CC1=CCC2(CC2)CC1C#N,1,GDB ChEMBL
89357,C[NH2+]CC(O)C(OC(N)=O)C(C)C[NH3+],0,GDB ChEMBL
340130,CCOc1nc(C(C)(C)O)c(C(C)=O)s1,1,GDB ChEMBL
247528,CC1COC(=O)NC(C(O)C(=O)[O-])C1(O)CO,0,GDB ChEMBL
50857,[NH2+]=C1NC(CO)C(O)C(C([NH3+])(CO)C(=O)[O-])O1,0,GDB ChEMBL
278111,CNC(=O)NC(C)C(O)c1n[n-]c(=O)o1,0,GDB ChEMBL
258279,CC(C)[NH2+]C1C=CCCC=C1,0,GDB ChEMBL
84967,C[NH+](C)C1CC2OC1C(O)CC2C#N,0,GDB ChEMBL
127671,CCCC(COCC)C1(C=O)CC1,0,GDB ChEMBL
196529,CC[NH2+]CCN(C)CC1(C[NH+](C)C)CC1,0,GDB ChEMBL
196725,CC1(CO)CC2(C(=O)[O-])[NH2+]C1C2NS(C)(=O)=O,0,GDB ChEMBL
31080,COC(C)C1COCC(O)C1,1,GDB ChEMBL
393932,CC(C)CCc1cc2[nH]ncc2c(F)n1,1,GDB ChEMBL
216540,CC(CC(=O)[O-])[NH2+]C1C(O)C2OC1S2(=O)=O,0,GDB ChEMBL
99707,[NH3+]C12CCC(=O)NCC1(O)C2,0,GDB ChEMBL
358629,N#CCC1CC(=O)CCCCOC1=N,1,GDB ChEMBL
6864,CN(CC#N)C(=O)N(C)C(=O)C(=N)N,1,GDB ChEMBL
147408,CC(C)[NH+]1CCC(CC2CCCC2)C1,0,GDB ChEMBL
170087,CC([NH3+])C[NH+]=C(NC(C)C)c1ccn(C)c1,0,GDB ChEMBL
299966,C[NH+]1CCCCC2=C(C3(C[NH3+])CC3)CC1C2,0,GDB ChEMBL
235930,CC1OCC2C(N)CN2C(=N)NC1=O,0,GDB ChEMBL
334788,C#CCC(CCC#N)[NH2+]C,0,GDB ChEMBL
388296,CC1CC2OC(=O)C2NCC(C)(C[NH3+])C1O,0,GDB ChEMBL
157084,CCC1(C)CC2CC(C)C[NH2+]C(C2)CC1C,0,GDB ChEMBL
132431,C#Cc1cc(C)c(C)c2c1C=CC(CC)C2,0,GDB ChEMBL
151153,CC(C)NS(=O)(=O)OCCC#N,0,GDB ChEMBL
383761,C[NH2+]CC1CCOCCC(C)(C)CNC(=O)C1,0,GDB ChEMBL
368417,C[NH2+]C1(CO)CNC(CO)(COC)CNC1=O,0,GDB ChEMBL
85658,CC(C)n1cnc(CCN2CC2)c1,1,GDB ChEMBL
79341,[NH3+]CCC[NH2+]CCS(=O)(=O)NCC[NH3+],0,GDB ChEMBL
222775,CCCC1=[NH+]C2CCC(CN1)C(CCC)OC2,0,GDB ChEMBL
119854,C#CC1OC(=O)NC(C(C)C)C1=O,0,GDB ChEMBL
177876,CCCC12C(C)C1[NH2+]C(CO)C2O,0,GDB ChEMBL
349521,OCC=CCC(O)Cc1ccco1,1,GDB ChEMBL
119269,O=C(Nc1cnn[n-]1)Nc1nccs1,0,GDB ChEMBL
155796,CNC(N)=[NH+]C(CC#N)CN(C)C,0,GDB ChEMBL
284805,C[NH2+]C1(C)C(C)CCCNC1CO,0,GDB ChEMBL
75878,[NH3+]Cc1c(O)c(O)c2c(c1Br)CCCOC2,0,GDB ChEMBL
385622,CCC(CN)NC(=[NH2+])CNC,0,GDB ChEMBL
171297,COC1CCOCC1(Nc1cnsn1)C(=O)[O-],0,GDB ChEMBL
246433,CC1CC2NC(=O)CC1C1OC21,1,GDB ChEMBL
290137,CC1CCC2(C[NH2+]1)CC(C)C(C)CC(C)(C)C2,0,GDB ChEMBL
271491,CC1CC2CCC=CC(CCO)[NH+]1C2,0,GDB ChEMBL
354598,NC(=O)c1c(N)[nH]c2c(N)ncnc12,1,GDB ChEMBL
132246,CC([NH3+])C12NC(=O)N(C)CCC1C2O,0,GDB ChEMBL
152040,CCOC1C2CC3CC(C2O)C1C3,1,GDB ChEMBL
203831,COC(=O)C12C[NH2+]CC1C(O)C2,0,GDB ChEMBL
123028,CCC1CC2C=CC1C(C)C2CC[NH3+],0,GDB ChEMBL
234454,C#CCC(O)Cc1cc(NC)ncc1O,1,GDB ChEMBL
61644,CCC1(C=O)C(C(C)C)N1C(=O)C(=O)[O-],0,GDB ChEMBL
22625,CC1CCC2(CO)CC=CCC12,0,GDB ChEMBL
51347,CCC1OC(=O)C2N(C(N)=[NH2+])C12C(=O)[O-],0,GDB ChEMBL
35480,CC(=[NH2+])NCC(O)C1CC[NH+]1C,0,GDB ChEMBL
239330,CC(C)[NH+](C)C1(C(C)(C)CCCO)COC1,0,GDB ChEMBL
115194,CNC(=O)C(C)(CC(=O)C(O)(C#N)CO)OC,0,GDB ChEMBL
286325,CC(=O)N1C(=N)NC(=O)CN(C)C1=O,1,GDB ChEMBL
384232,CC1CC2=CC1CCC[NH+](C)CCC[NH2+]C2,0,GDB ChEMBL
379391,CCC(O)C1(C#N)NC(C)CC1(N)C(F)(F)F,0,GDB ChEMBL
5014,CC1CCC=CCC1(C[NH+](C)C)C1CCC1,0,GDB ChEMBL
227294,CCCC(C)[NH+]1C2C=CC1C(C)CC2,0,GDB ChEMBL
44694,CCC1NC1C(OC(N)=O)C(C#N)CO,0,GDB ChEMBL
319355,NC1=[NH+]CC(O)CCCN1,0,GDB ChEMBL
392499,CCC1CCCN(C(=O)C(C)(C)C(C)CO)C1,1,GDB ChEMBL
389468,[NH3+]CC1C(O)C(C(=O)[O-])NC1(CO)CO,0,GDB ChEMBL
42282,CCCC(C)C1(C[NH3+])NC(=O)C1(C)OC,0,GDB ChEMBL
121117,COC(C)C(O)C1OC(=O)C1N,1,GDB ChEMBL
99700,CC(=O)NC(=O)NCC[NH3+],0,GDB ChEMBL
280663,O=C1CNC2COCC(O1)C2O,1,GDB ChEMBL
13876,CCC1CCCC2C[NH+](C1)CC2CC,0,GDB ChEMBL
247553,CCC1CC2C(C)CC1C2(C)O,1,GDB ChEMBL
264986,N=C(CC(=O)[O-])NC(=O)CCC(N)=O,1,GDB ChEMBL
243792,CCCOC(C(C)[NH3+])S(=O)(=O)N(C)CC,1,GDB ChEMBL
274366,CC1([NH3+])C2CCC1c1cccc(Cl)c1C2,0,GDB ChEMBL
21854,Cc1nccc(O)ncnc(C=O)c1O,0,GDB ChEMBL
176476,NC(=O)NC1C(=O)NC2CC21,1,GDB ChEMBL
224026,C[NH2+]C(C)C1C=CC2OCC1C2[NH3+],0,GDB ChEMBL
246828,CCC(OC=O)C(=O)NCc1cnn(C)c1[O-],0,GDB ChEMBL
214452,CCC(=O)c1c(Cl)cc(Cl)cc1-c1c[nH]cn1,1,GDB ChEMBL
277587,CC(=[NH2+])N(C)C(=N)OC(C)C(N)=O,0,GDB ChEMBL
29707,CC1CCC2CC2C2C(C(=O)[O-])[NH+]12,0,GDB ChEMBL
866,Cc1ncn2c1C(CN1CC1)C(CCO)C2,0,GDB ChEMBL
39798,[NH3+]C1CN2CC3NC(=O)C2C13,0,GDB ChEMBL
127625,CC[NH2+]C1C2CC(OC)(CC2C)C1C,0,GDB ChEMBL
49126,[NH3+]CCc1cnc(C2CC(CO)C2)o1,0,GDB ChEMBL
366931,C[NH2+]C1Cc2ncsc2C1C(C[NH3+])(CO)OC,0,GDB ChEMBL
252650,CCC1C2C[NH2+]C(C)C(C)C[NH+](C)C12,0,GDB ChEMBL
299713,C=Cc1nc(O)c(C(N)=[NH2+])cc1N,0,GDB ChEMBL
196459,CCCCCCC1C2C[NH2+]C12,0,GDB ChEMBL
93779,CCC1(C(O)CO)CN(C)C1=O,0,GDB ChEMBL
122927,CCC(C)C(C)(COC)C(C)CC(C)(C)[NH2+]C,0,GDB ChEMBL
387198,C#CC(C)(C)C(CCC)CC(C)CCCCC,0,GDB ChEMBL
155192,C#CC1[NH+]2C(C)CCCC2CCC1(C#N)CC,0,GDB ChEMBL
120848,CC[NH2+]CCCC1[NH2+]CC2CC(C(C)C)C1O2,0,GDB ChEMBL
62004,COCCCCC(O)CC(CNC=O)C(N)=O,1,GDB ChEMBL
121475,CC(=O)Nc1cc([N+](=O)[O-])on1,1,GDB ChEMBL
398182,CC1[NH2+]C2C(O)C1C(=O)C2C(C)N(C)C,0,GDB ChEMBL
217332,C#CC1=CC2(CCCC)CC(C)C(C1)C2,0,GDB ChEMBL
228849,CCC1(C)C2CC=CC2[NH+](C)C1C,0,GDB ChEMBL
18805,N#CCCNCC(C[NH3+])C(O)C([NH3+])C(N)CO,0,GDB ChEMBL
122843,O=C([O-])C1CC(CO)C2C(O)C12,0,GDB ChEMBL
221149,CCC1CCC(CC2CC2)CC=C1C,0,GDB ChEMBL
336035,CCCc1cccc(C)c1C(C)(O)C(F)(F)F,1,GDB ChEMBL
104632,CCNC(=O)N1C(C)C1C([NH3+])CC(C)C,0,GDB ChEMBL
308722,CNC(=[NH2+])CNC(C(C)=O)C(N)=O,0,GDB ChEMBL
125549,C[NH2+]CCC(C#N)C(C)(CO)N1CC1C,0,GDB ChEMBL
336603,C#CCC1C(CC)C(C)CC2C(C)CCC21C,0,GDB ChEMBL
109514,CCOc1c(I)nc2c(c1C)CCC2,1,GDB ChEMBL
96103,C#Cc1cccc(F)c1C1=CCCC1C#C,1,GDB ChEMBL
284786,CC[NH2+]C1C=C2CC(O)CC2C1C,0,GDB ChEMBL
391296,O=C([O-])c1nsc(NCCO)n1,0,GDB ChEMBL
372654,CCN1CC1CCC(C)CC[NH3+],0,GDB ChEMBL
113530,CC1C2CC=CCCC(C2)C1C,0,GDB ChEMBL
92331,CC1C2C(C=CC3CC32)C([NH3+])CCC[NH+]1C,0,GDB ChEMBL
302585,CCCCC1C(=O)C2(C)C(O)CCC2CC1C,0,GDB ChEMBL
99462,N=C1CCOc2c(ccc(F)c2F)O1,1,GDB ChEMBL
122962,N#CCC1C(=O)NCC2C([NH3+])C3(CC3)CN12,0,GDB ChEMBL
28156,COC(COc1c(N)ncn1C)C(O)C#N,1,GDB ChEMBL
209880,CC(=O)N1CC2CC(=NO)C1C21OC1C#N,1,GDB ChEMBL
250670,CC(C)C([NH3+])(C[NH3+])CCC1(CO)CNC(=O)C1,0,GDB ChEMBL
143174,Cc1cc(OCCO)co1,1,GDB ChEMBL
278237,NC(=[NH2+])NC12CC(CC1O)NC2=O,0,GDB ChEMBL
201174,CC1C(=O)C2(CC(O)CNC(=O)O2)CC1O,1,GDB ChEMBL
366051,CCC1OC(=N)N2C(N)=[NH+]CCC12,0,GDB ChEMBL
137400,CC1(C[NH3+])OCCOCC1C1CC1,0,GDB ChEMBL
383785,CC[NH+]1CC(C2OC(C)(C)CCC2O)C1,0,GDB ChEMBL
76789,CC(=NCC(C#N)C(=O)[O-])NS(C)(=O)=O,0,GDB ChEMBL
293847,CCCC12COCCC(CO)(COC1)O2,0,GDB ChEMBL
225343,C[NH2+]C(C=O)CCOC(=O)CC1CC(=O)C1,0,GDB ChEMBL
332388,C#CC1CC2CC2[NH+](C)C(C)C1,0,GDB ChEMBL
112443,COC1C2OCC1C([NH3+])CCNC2=O,0,GDB ChEMBL
137450,CCCCCC12CC(C=CC1C(C)C)C2,0,GDB ChEMBL
226256,C#CC1C(=O)NC2=C1CC(OC)CC2,0,GDB ChEMBL
1107,NCC(=O)NC(=O)C(N)C([NH3+])CO,1,GDB ChEMBL
173155,CCc1ccnc(-c2c[nH]cn2)c1,1,GDB ChEMBL
187203,O=Cc1nc2[nH]ncc2c(CCCO)c1Cl,1,GDB ChEMBL
21997,CCC(=O)CCC(C)(C#N)C1COC1,1,GDB ChEMBL
288668,COC1(CCC(N)=[NH2+])C(O)C1(O)C(=O)[O-],0,GDB ChEMBL
47413,CC(C)N=C1OCCn2ccnc21,1,GDB ChEMBL
46899,CN1CCNC(=O)CN(C=N)C1=O,1,GDB ChEMBL
283991,C1=CCC([NH+]2CCNCC2)CC1,0,GDB ChEMBL
148394,[NH3+]C1CC2CC(OCCO)C([NH3+])C1NC(=O)N2,0,GDB ChEMBL
325909,CC1CC(C(=O)[O-])CC(C)C(C)(C#N)O1,0,GDB ChEMBL
259351,CCC1C(C)[NH+](C2CCCC2)CC1(C)C,0,GDB ChEMBL
277790,COC1(C)C(=O)OC(C#N)C1OCC(=O)[O-],0,GDB ChEMBL
292281,CCC1CC(C)=CC1n1cc(C)c(C)n1,1,GDB ChEMBL
345731,CC(=O)CCN(CCO)CC[NH+]=C(N)N,0,GDB ChEMBL
280482,C#CC(C[NH2+]C1CC1)NCCC,0,GDB ChEMBL
387215,C#CC1(C)CCC2CC(=O)OC(C)C2C[NH2+]1,0,GDB ChEMBL
287308,O=C1CNC2CC2(C(=O)[O-])C1,0,GDB ChEMBL
18907,CN=C(C)OCCC(C=O)CC(N)=O,0,GDB ChEMBL
341892,CC1C(CC=O)CC1Cc1cccc(O)c1,0,GDB ChEMBL
288614,CCCC1C2COC(CC(C)C(CC)C2)C1C,0,GDB ChEMBL
87040,COC(=O)N(C)C(=N)C(N)C(N)C(N)=O,0,GDB ChEMBL
334651,[NH3+]C1CCN(C=O)C2CC12,0,GDB ChEMBL
320416,CCC1Cc2nc(N)cn2C1C,0,GDB ChEMBL
393925,CC1CN1C(=O)C(C#N)NC(N)=[NH2+],0,GDB ChEMBL
147854,CC[NH2+]CC1(C)CCC(C)C(C(C)[NH3+])C1,0,GDB ChEMBL
160798,C#Cc1ccc2c(C(C)C)cc(Cl)c(Cl)c2c1,1,GDB ChEMBL
173710,CC1C=CC(OC=O)C(CO)NC1=O,0,GDB ChEMBL
9758,COC(=O)CNC1C2NC(=O)C(O)C12N,0,GDB ChEMBL
179174,C#CC(C#C)C#Cc1ccc(Cl)cc1,0,GDB ChEMBL
274086,CC1=CC([NH2+]C2CCC2)CC(C)CC1(C)C,0,GDB ChEMBL
71992,C#CC1C2CC(Cc3ccc(Cl)cc3)CC12,1,GDB ChEMBL
152505,CC1CC(O)C2C1C(=O)N1CC21,0,GDB ChEMBL
121716,C#CC1CC2CCCC(C)(C[NH2+]1)C2(C)C,0,GDB ChEMBL
11744,CCC12CC([NH3+])C(C)C(C(=O)[O-])CC1N2,0,GDB ChEMBL
398768,C[NH+]=C(N)COC1(CO)CC(=O)C(=O)C1,0,GDB ChEMBL
275691,C=C(C)CC(CC)CC#CC1CC1,0,GDB ChEMBL
289283,CC1OCC(CO)C(NC(N)=[NH2+])C(=N)NC1=O,0,GDB ChEMBL
117326,CC1(O)C(=O)NC2COC1C2,1,GDB ChEMBL
178014,C#CC1C=CCOC1(C)Oc1ccccn1,0,GDB ChEMBL
82169,COCC1CCC(N2CC2C#N)CO1,1,GDB ChEMBL
90309,CN1CC(O)(CO)C(C(=O)[O-])NC1=O,0,GDB ChEMBL
77843,CCC1(C)CCC[NH+]2CC(=O)N(C)CC21,0,GDB ChEMBL
334155,C#CCC(C#N)C1C(CO)N1CCO,0,GDB ChEMBL
71447,CCN(CC(CO)(COC)C(N)=[NH2+])C(N)=O,0,GDB ChEMBL
33195,C#CCC(=O)OCC(C)COC,1,GDB ChEMBL
70057,Cc1noc(N(C)C(=O)OCCO)n1,1,GDB ChEMBL
194528,CC1=C(C)CC2C(CC[NH+]2C)C1,0,GDB ChEMBL
31809,COc1cc(C=O)n(C)c1C,1,GDB ChEMBL
11394,O=C1CC[NH+]2CC(O)C(C2)N=CN1,0,GDB ChEMBL
342377,CCc1cc(N)cc(N)c1,1,GDB ChEMBL
127735,COC1C(C)C=C(C)C(O)C1(C)C,1,GDB ChEMBL
194409,[NH3+]CC1CC([NH3+])C2(O)CC(C(=O)[O-])[NH2+]C12,0,GDB ChEMBL
377283,COCC12C(O)CC([NH3+])C1C2[NH3+],0,GDB ChEMBL
385351,C[NH2+]CC1(C)C2C1(O)C(=O)[N-]S2(=O)=O,0,GDB ChEMBL
247224,CCC1C2CC3CCC1(C)C(C3)C2,1,GDB ChEMBL
153736,CCC1=CNC(=O)N2CC=C(COC1=O)C2,0,GDB ChEMBL
309672,CC1NCC(N)(C#N)COC12CC2,1,GDB ChEMBL
317195,CCC(=[NH2+])NCC(O)CO,0,GDB ChEMBL
372789,CC([NH3+])CC1(C[NH2+]C(C)C)CCC(C[NH3+])OC1,0,GDB ChEMBL
240460,NC(=O)C(O)CC(O)C(O)C([NH3+])C(N)=O,1,GDB ChEMBL
330519,CC(OS(N)(=O)=O)C([NH3+])CC=CCO,0,GDB ChEMBL
266211,CCCc1cnc2nc(O)cc-2c(C[NH2+]C)c1,0,GDB ChEMBL
215701,C#CC(C)(C(=O)CCC)C1=CCCC1O,0,GDB ChEMBL
21902,CN1C(=O)NC(=N)C1CO,1,GDB ChEMBL
120710,CC1[NH2+]C2C3C[NH2+]C(C(=O)[O-])CC1C32,0,GDB ChEMBL
115765,CC1C2OCC2N(C)C1C[NH3+],0,GDB ChEMBL
177207,CC1C2CCC1c1c2ccc(Cl)c1Cl,1,GDB ChEMBL
372564,COC(=O)CN(C=O)C(=O)C(N)=O,1,GDB ChEMBL
278897,C#CCC1[NH2+]C(CC)CC(O)C2CC12,0,GDB ChEMBL
223494,C[NH2+]C1COC(C)C(C)C1(O)CS(N)(=O)=O,0,GDB ChEMBL
119926,COC(=O)C(CO)(CCO)CS(N)(=O)=O,0,GDB ChEMBL
277100,[NH3+]C1CCC2(COCCO)NC2C1,0,GDB ChEMBL
126902,N#CC1OCC2C1C2C(C[NH3+])C(=O)[O-],0,GDB ChEMBL
111909,N=C1OC(C(=O)[O-])C(=O)N1C(N)=O,0,GDB ChEMBL
156172,CCC(O)C(C)C1CC([NH3+])CC(C[NH3+])C1,0,GDB ChEMBL
306266,CN1CC1(C)C(CC[NH3+])C(N)=O,0,GDB ChEMBL
90336,COC1CC(CO)(CO)CC(=NO)CC1(C)C,0,GDB ChEMBL
153272,CNC(=O)Cc1ncnc(C(C)C#N)n1,1,GDB ChEMBL
354027,CC#CC([NH3+])C1(C)OCC(CC)CC1C,0,GDB ChEMBL
379731,COC1C=CC(C2CC2)C1[NH3+],0,GDB ChEMBL
222070,CC1(O)CC([NH3+])CCC2CC21,0,GDB ChEMBL
169053,CC(C)(O)C1CCCCC12COC2,0,GDB ChEMBL
56687,CC1C2CC3CC(C[NH+]1C3)N2,0,GDB ChEMBL
126370,N#CC1CCc2c(C3CC3)ccc(I)c21,1,GDB ChEMBL
234439,C#CC12C=CC([NH2+]C(CO)C(C)OC)C1C2,0,GDB ChEMBL
273388,CC1CCC(C2(C)CCCCCC(C)C2)CC1,0,GDB ChEMBL
112548,[NH3+]CC1=[NH+]CCCN1CC(=O)[O-],0,GDB ChEMBL
87655,CC(O)C1(CCO)C2[NH+]3CCCC(C3)C21O,0,GDB ChEMBL
363816,CCc1n[nH]nc1C(=O)NC,1,GDB ChEMBL
246963,CN=C(C(=O)C#N)N1CCCCC1=O,0,GDB ChEMBL
375849,O=C1CCC2[NH2+]CC(C1)C21CCCC1,0,GDB ChEMBL
389095,CCCC1CC=CC2C(O)CC(CC)C2C1,0,GDB ChEMBL
270049,C#CCCCCCC1(CC=C)CC1,1,GDB ChEMBL
94899,CNC(=O)Oc1c([O-])c(N)n[nH]c1=O,0,GDB ChEMBL
82129,CCC(O)c1c(Cl)ncc(Cl)c1CCO,1,GDB ChEMBL
114780,COC(C)CCC(C)CC([NH3+])C(N)=O,0,GDB ChEMBL
224006,COC(N)=[NH+]CC(C)C(O)C[NH3+],0,GDB ChEMBL
337103,CCCCCC(C)c1c(C)ccn1C,1,GDB ChEMBL
177874,CC1CCC[NH+]1Cc1cnc(Cl)nc1,0,GDB ChEMBL
318375,COC1C2CCNC(C(C)=O)=NC(C)(C2)C1C,0,GDB ChEMBL
38764,CC(=O)N1CC([NH3+])(C(C)(C)C(C)C)C1,0,GDB ChEMBL
8796,NC(=O)C1CC(O)CC(=O)[N-]S1(=O)=O,0,GDB ChEMBL
375908,CC1CC2CC(C)(C)C1C[NH2+]2,0,GDB ChEMBL
186004,C#CCCC1(C)C(C[NH+](C)C)C1(C)[NH2+]C,0,GDB ChEMBL
199418,CC1CC1C1CNC(C#N)C1,0,GDB ChEMBL
203269,CCOC1CC2=CCC3(CC3)C2CC1CC,0,GDB ChEMBL
307899,C#CCC1CC=C(CCC)C1,1,GDB ChEMBL
65954,CCOC(C#CCC(C)CC[NH+](C)C)CC,0,GDB ChEMBL
136149,CC1OCC2C3CC(C)(C(=O)[O-])CC3[NH+](C)C12,0,GDB ChEMBL
276167,N=C(NC(=O)CC(=O)[O-])C1CN1,1,GDB ChEMBL
271050,COCCC1CC=C(C)C1CCC=O,0,GDB ChEMBL
41655,CCOc1ccc(NCC(C)C)c(CCO)n1,1,GDB ChEMBL
92337,C#CCC(C(=O)[O-])C1C=C(C)C2(C)CC12,0,GDB ChEMBL
394278,CC1CCC2C3CC=CC[NH2+]C(CCC3)C12,0,GDB ChEMBL
276272,CCCC1(C)CC2CC1C(C)(C)C2,1,GDB ChEMBL
392278,C#CCCC1(C(C[NH3+])OC)CC1C(C)(C)C,0,GDB ChEMBL
182531,Cc1nn(C(CC[NH+](C)C)C(O)C[NH3+])c(=O)[nH]1,0,GDB ChEMBL
387338,CN1CC(=O)C2(CC=C(CCO)C2)C1,0,GDB ChEMBL
50296,CC(CC[NH3+])C1C(O)C[NH2+]C1(CN)C(N)CO,0,GDB ChEMBL
317751,C=CC1(C=C)C[NH+](CCC)CCO1,0,GDB ChEMBL
19658,CCCC1CC1CC1(C)CCCC1,1,GDB ChEMBL
48218,CCCC(C1CC1)C1CCC=C1CC,0,GDB ChEMBL
135813,[NH3+]C1C2NS(=O)(=O)C1OC2CC(=O)[O-],0,GDB ChEMBL
72363,Cc1nc(C(C)OCCC2CC2)n(C)n1,1,GDB ChEMBL
148187,CNC(=N)C(=O)NC(=O)C(C#N)CC[NH3+],1,GDB ChEMBL
204848,CC1C(O)c2ccc(O)c(C=O)c2CN1C,1,GDB ChEMBL
334447,N#CC(N)CC(C#N)CS(N)(=O)=O,1,GDB ChEMBL
163390,CC(CO)CC1[NH2+]CC2COC1OC2,0,GDB ChEMBL
39714,C=C(C)CC1[NH2+]C(CC)C(C)C1C,0,GDB ChEMBL
228457,CCOC1CCN2C(=O)CCC12C([NH3+])C(=O)[O-],0,GDB ChEMBL
338967,[NH3+]CC1OCC2C3NC(=O)CC123,0,GDB ChEMBL
218335,COCC(=O)C1(C)OCCC(C)C1O,0,GDB ChEMBL
86700,NC(=[NH2+])N1CCOC(=O)C(=O)OC(C(=O)[O-])C1,0,GDB ChEMBL
12776,CC(NC1COC(=O)C1)c1nonc1N,1,GDB ChEMBL
296287,CCC[NH2+]C12CCCCCC(C(C)C)(CC1)C2,0,GDB ChEMBL
50082,CC[NH2+]C(CO)C1CC1CCO,0,GDB ChEMBL
245538,COCC(C)OC(N)=[NH+]CCc1[nH]c(C)c[nH+]1,0,GDB ChEMBL
227563,CNc1c(O)n(C)c2[nH]cnc12,0,GDB ChEMBL
345416,CC(C)(C)OC1=[NH+]CCCCN1,0,GDB ChEMBL
61697,CC1=CC(=O)C(C)C(C)(O)CCC(CO)C1,0,GDB ChEMBL
47228,N=C(N)NC(=O)C(N)CC(CO)NC=[NH2+],0,GDB ChEMBL
13868,CCC(C)(C)CC1CN(C)CC2[NH2+]C1C2C,0,GDB ChEMBL
21998,COc1c(CO)c(F)cc2oc(N)cc12,0,GDB ChEMBL
195524,CC(NS(=O)(=O)C1(CC#N)CC(O)C1)C(N)=O,0,GDB ChEMBL
375724,CN1C(=O)C(N)C([NH3+])C(C)(O)C1C(O)C(=O)[O-],0,GDB ChEMBL
195474,CC1(NCC(CO)[NH2+]CCO)CNC(=O)C1=O,0,GDB ChEMBL
217390,Cn1c2ncnc-2cc2cc(F)cnc21,1,GDB ChEMBL
273861,Cn1c(=N)nc(O)c2cccnc21,1,GDB ChEMBL
42610,CCC1CCCC(O)CCC(=O)CC[NH2+]1,0,GDB ChEMBL
61708,CC1C([NH3+])COC2(CCCC2)CC1C1CC1,0,GDB ChEMBL
153359,CC[NH2+]C(C1CCC1)C(C)(C)C,0,GDB ChEMBL
71249,CC1CCCC(CO)C(O)Cc2c[nH+]c([nH]2)C1,0,GDB ChEMBL
5218,C[NH2+]C1C2CC(C(C)CCC2C)C1(C)C,0,GDB ChEMBL
170237,CCCC#CC(CC[NH3+])Cc1[nH]cnc1N,0,GDB ChEMBL
299943,O=C1CN(CCO)C(=O)C1O,1,GDB ChEMBL
304395,C#CC(O)C1(C[NH+](C)C)CC([NH2+]C)CO1,0,GDB ChEMBL
37121,CC#CC1C(C)CC2CC[NH2+]C21,0,GDB ChEMBL
222175,CCC([NH2+]C)C1CCCCC(C)CCC1(C)C,0,GDB ChEMBL
389603,COC1CN(C(=N)N)C(=O)C1C,1,GDB ChEMBL
184642,CCCC1(C)CCC2(C)C(C)[NH2+]CC12,0,GDB ChEMBL
301487,CCC1COC2(C)CCC([NH3+])C12,0,GDB ChEMBL
118860,C=CCN1C2C([NH3+])CCC(C)(O)C21,0,GDB ChEMBL
187212,CC1COC2C[NH+](C)C(C1)C2C,0,GDB ChEMBL
210960,O=c1[nH]cnc2c1C[NH2+]CCO2,0,GDB ChEMBL
230217,[NH3+]CCC1(CCC(=O)[O-])NS(=O)(=O)C1O,0,GDB ChEMBL
24299,CN1CC(O)C=CC(=O)C(OC(N)=O)C1=O,0,GDB ChEMBL
223526,CC1CCN2C(C(N)=[NH2+])C2(C(=O)[O-])C1C,0,GDB ChEMBL
4912,Oc1cc(Cl)cc2c1CCO2,1,GDB ChEMBL
293802,CC(C)(O)Cc1cc2c(cc1Br)CCC2,1,GDB ChEMBL
97717,CCC1OC2CC(O)C([NH3+])C(O2)C1O,0,GDB ChEMBL
127922,CC(C)C1C(C)CCCC2C[NH+](C)CC1C2=O,0,GDB ChEMBL
343946,Cc1cc(F)ncc1C1CN=C2OCCCN21,0,GDB ChEMBL
151734,NC(=O)C1CC(O)CN=C(CO)N1,0,GDB ChEMBL
247597,CCOC(C=O)CC(C)C#N,1,GDB ChEMBL
263439,C[NH2+]C(C)c1c(C)cnc2c(Cl)c(Cl)ccc12,0,GDB ChEMBL
396734,CC(C)OC(C)C1C[NH2+]CCCC(C)C1(C)C,0,GDB ChEMBL
159699,O=C1NCC2CCN3C4C[NH2+]CC4OCC123,0,GDB ChEMBL
234930,COC(=O)CC(N)=[NH+]C(C)CO,0,GDB ChEMBL
66133,C[NH2+]C1CS(=O)(=O)NC(C(N)=O)C1O,0,GDB ChEMBL
225431,COc1cc(NCC2CC2)cc(Br)c1C,1,GDB ChEMBL
347036,CC1CC1N1CC(CC[NH3+])CC1(C)C#N,0,GDB ChEMBL
354030,CCNC(=O)C1(O)CC(NCC(N)=[NH2+])CC1O,0,GDB ChEMBL
391463,CC(=O)C1C=CCNC(=O)N1C(=N)N,1,GDB ChEMBL
56610,CN1CC(CS(N)(=O)=O)(C(C)([NH3+])C(=O)[O-])C1,0,GDB ChEMBL
274970,CCC(=CCNC(N)=[NH+]C)C(=O)[O-],0,GDB ChEMBL
191539,CCC(C)C1CC(C(C)CC)C(C)(C(C)C)C1,0,GDB ChEMBL
316260,O=C([O-])C1C2[NH2+]CC13CC2C[NH2+]3,0,GDB ChEMBL
78608,[NH3+]CCC1NS(=O)(=O)C2C(O)C(C(=O)[O-])C12,0,GDB ChEMBL
377271,CCNC(=O)c1nc(O)no1,1,GDB ChEMBL
5207,C[NH2+]C1CC(=O)CCC(C)(O)C2OC2C1,0,GDB ChEMBL
11200,CNC(=O)COC1OC(=O)CC1[NH3+],1,GDB ChEMBL
109722,C#CCC1C2CCCCC1(C)CC2,1,GDB ChEMBL
205750,C#CC(C(=O)NCC)N(C)c1csc(C)c1C,0,GDB ChEMBL
43906,CCCC(C)(C)Cc1ccc(Br)c(CC)c1,1,GDB ChEMBL
49142,NC(=O)C(N)C1OC(=O)C2NCC2(O)C1O,0,GDB ChEMBL
104397,[NH3+]C1C(O)C1C1CCCCCO1,0,GDB ChEMBL
370296,CN1CC2OC(=O)NCC#CCC2=CC1=O,0,GDB ChEMBL
44070,Brc1ccnc2c1CC13COCC1(C2)C3,0,GDB ChEMBL
277911,C[NH2+]C1C(C(C)[NH3+])C12CCCOC2,0,GDB ChEMBL
237990,CC1CC([NH3+])C(C)(C2CNC(=O)OC2C[NH3+])C1,0,GDB ChEMBL
49160,CC[NH+](C)CC(O)C#CC(=[NH2+])NCC#N,0,GDB ChEMBL
41116,O=C([O-])C1C(CO)C2[NH2+]CC21,0,GDB ChEMBL
274096,CCC1C2C(OC(C)=O)CC[NH2+]C12C,0,GDB ChEMBL
7757,CC1CC(C=O)(CO)CC1=O,1,GDB ChEMBL
136495,CC1(C)C(O)CCOC2CC21,0,GDB ChEMBL
333067,CCOC1CCC2(C)C(C([NH3+])CC)C12,0,GDB ChEMBL
38753,C1=C2CCCC(CC1)Cc1cccc(c1)C2,0,GDB ChEMBL
345754,CNC(=O)CC(O)C(=N)OC,1,GDB ChEMBL
5287,CC[NH+]=C(N)C(C(N)=O)C(CC#N)NC(C)=[NH2+],0,GDB ChEMBL
70064,C#CC1=CC(C)(C)CC(C)CN(CC)C1=O,0,GDB ChEMBL
27914,C[NH2+]Cc1ccncc1OCC(C)[NH3+],0,GDB ChEMBL
48006,[NH3+]CCCC1OC2CCCC(CO2)C1CO,0,GDB ChEMBL
131616,CCC(C)CCc1ccc(C)c(C)c1I,1,GDB ChEMBL
223275,CC1CC2CCCC13CCOC3C2,0,GDB ChEMBL
161833,CNC(=O)Cc1n[n-]c(=O)o1,0,GDB ChEMBL
385446,CC1(O)C(O)C([NH3+])C(CS(N)(=O)=O)C1(C)CO,0,GDB ChEMBL
372172,CCCC1[NH2+]C2C(C(=O)[O-])C12,0,GDB ChEMBL
292261,CC(C)CC(=O)CC1CC=CC1,1,GDB ChEMBL
247631,C=CC1C2C[NH2+]CCC(C2=O)C1C,0,GDB ChEMBL
251450,CCC1=CC(C(C)(C)O)C(=NO)C1N(C)C,0,GDB ChEMBL
399005,C#CC1CCCCNC=C1C(=O)[O-],1,GDB ChEMBL
263464,CCCCc1[nH]c(C#N)cc1C,1,GDB ChEMBL
190299,CC[NH2+]C(C)(CO)C(=O)C=CCO,0,GDB ChEMBL
332351,CC(=O)C(=O)C(C)[NH2+]CCO,0,GDB ChEMBL
318357,CC1CC1C1C=CC(N)C(=O)O1,1,GDB ChEMBL
29452,C#Cc1ccc(C)c(CCCCCC)c1Cl,1,GDB ChEMBL
382515,CC1NC2(C(=O)[O-])C([NH3+])C(NC1=O)C2O,0,GDB ChEMBL
186695,CCC1CC([NH2+]C)C2C[NH2+]C(CO1)C2,0,GDB ChEMBL
148845,[NH3+]CC1(NC2CCOC2=O)CC1O,0,GDB ChEMBL
170095,CCOC1(C[NH3+])CNC(=[NH2+])C1C#N,0,GDB ChEMBL
79619,CCC1(CC(C)CCC[NH3+])COCC1O,0,GDB ChEMBL
29693,CC(C)(O)C1CCCc2ncc([nH]2)COCC1,0,GDB ChEMBL
354625,C=C(C)C(C)C1=CC[NH2+]CCC1O,0,GDB ChEMBL
33533,COCC(N)C1CC(C(=O)[O-])CC([NH3+])C(N)=[NH+]1,0,GDB ChEMBL
142568,[NH3+]CC1C=C(NC(=O)CO)CC1,0,GDB ChEMBL
101906,Cc1n[nH]c(C(F)(F)F)c1C1NC1C#N,0,GDB ChEMBL
389037,CCOC1C[NH2+]CC2(CC)CC1C2,0,GDB ChEMBL
102299,CC(C)(C)C1C#CC=CCCCC1,0,GDB ChEMBL
180811,CC1C2NS(=O)(=O)C1C2[NH2+]CCO,0,GDB ChEMBL
115561,CC(C)(C)CCCCCC[NH3+],0,GDB ChEMBL
277831,OCCCC1OCC=CCOCC1O,1,GDB ChEMBL
265238,CNC(N)=[NH+]C(C#N)CCOC=O,0,GDB ChEMBL
194430,CC1CCN(CCS(N)(=O)=O)S1(=O)=O,1,GDB ChEMBL
18909,CCCN1C2CCC(C)COCC21C,0,GDB ChEMBL
34963,CC(=O)NC1(C)C2C1(O)CNS2(=O)=O,0,GDB ChEMBL
153267,CCCc1nc(C)no1,1,GDB ChEMBL
62106,Cc1cc(CC(C[NH+]=C(N)N)C(C)O)cs1,0,GDB ChEMBL
148944,CC1(CNC=[NH+]CC(=O)NCCO)CC1,0,GDB ChEMBL
273640,CCC1CCCC=CC2CCC2C1C,0,GDB ChEMBL
299712,CC1=CC2(CCC(C)CC2)COC(C)C1,0,GDB ChEMBL
58928,CCN(C(=N)CC[NH2+]C)C(=O)c1ncon1,0,GDB ChEMBL
227549,CCCC1CCC(C#N)NC1,1,GDB ChEMBL
227597,CC(C)C1c2cc(N)ccc2C2CCC(C)C21,0,GDB ChEMBL
382971,C#CC1C=C(C)C(CC)CC[NH+](C)C1C#C,0,GDB ChEMBL
391453,CCC(CC)(CCO)CCCOC(C)=O,1,GDB ChEMBL
127910,C#CC(C[NH2+]C)C(C)(C)c1ccccc1,0,GDB ChEMBL
74320,COC1CC2NCC1OC2=O,1,GDB ChEMBL
354109,N#CCOCC1CN=C(NC(=O)CO)N1,1,GDB ChEMBL
269337,CNC1(C[NH3+])C2CC([NH3+])C1(C(=O)[O-])C2OC,0,GDB ChEMBL
284017,C=CC#CCc1cc(N)cc(Br)c1,1,GDB ChEMBL
372662,CC1=NC(C)CN(C)c2ccc(O)c(C)c2O1,1,GDB ChEMBL
190242,C[NH2+]C1C2C(=O)OCCC2C1S(C)(=O)=O,0,GDB ChEMBL
223557,C[NH2+]C(CCO)CC(F)(F)F,1,GDB ChEMBL
191302,Cc1sc(CC#N)nc1C1NC(CO)CC1[NH3+],0,GDB ChEMBL
50279,C#CC1C2C=CCC12c1cccc(I)c1,0,GDB ChEMBL
257978,CNc1cc(N)nc(=NCC(=O)[O-])cn1,0,GDB ChEMBL
204847,C[NH2+]C1CC(CC2(C)CCCO2)CCN(C)C1,0,GDB ChEMBL
157715,CC(O)C1=NCC(C(CC#N)C([NH3+])C(N)=O)O1,0,GDB ChEMBL
349640,CC1(c2ccc(Br)nc2)CCCC([NH3+])CCC1,0,GDB ChEMBL
279089,C#CC1CC(CC)(CCCC(C)C)C[NH2+]1,0,GDB ChEMBL
13116,[NH2+]=C1NC(C(=O)[O-])C2(CC(=O)[O-])C(C=O)N12,0,GDB ChEMBL
280754,CCCc1nc(F)cc(CCCC[NH3+])n1,0,GDB ChEMBL
45709,CC(O)C1C(=O)OCC12C(N)C2[NH3+],0,GDB ChEMBL
253589,COC1CC(C(C)=O)C1(C)O,1,GDB ChEMBL
45003,COC(=O)CNS(=O)(=O)OC(C)(C#N)CO,0,GDB ChEMBL
148345,CCC1CC[NH2+]CC2NC1(CO)C(C)OC2=O,0,GDB ChEMBL
244535,CC1C2CCCOC3CC3C1[NH2+]CC2CO,0,GDB ChEMBL
64678,CC(C)[NH2+]CC(O)CCOc1cc(N)sn1,0,GDB ChEMBL
121075,C[NH2+]CCc1cc(C(C)CCO)c(C)c(C)n1,0,GDB ChEMBL
310267,CCC1C2[NH+](C)CC(OC)C12CO,0,GDB ChEMBL
386695,Nc1cccc(Br)c1C12CC(C1)OC2=O,1,GDB ChEMBL
277095,CC1CC2CCCC1C2C(C)(C)C(C)C,0,GDB ChEMBL
112501,C[NH2+]C1CN(C)CC12CN1CCN(C2)C(C)C1,0,GDB ChEMBL
125579,CC1CCCC2CCCC3(C2)CC13,0,GDB ChEMBL
335508,CCNc1nc(Cl)c(N)nc1C,1,GDB ChEMBL
42541,C#CC(C)(C)CC1(CC[NH3+])CC(C)CC[NH+]1C,0,GDB ChEMBL
140878,C[NH2+]C(CC(=O)[O-])c1cn[nH]n1,0,GDB ChEMBL
143840,CCC1CC[NH+]=C(NC)C1O,0,GDB ChEMBL
81634,CN=C1OC(C)CNC(=O)C(O)C1(N)C(=O)[O-],0,GDB ChEMBL
76362,CCCC1C(C)CCCCC(CC)CC1(C)C,0,GDB ChEMBL
47395,C#Cc1nnc(C)c2[nH]nc(OCC)c12,1,GDB ChEMBL
301466,CC(C)C([NH3+])(CN)C1Cc2cc(Br)ccc2N1,0,GDB ChEMBL
389448,CCCNc1c(Br)cc2c(Br)cccc2c1C,1,GDB ChEMBL
28322,CC(=O)NCCC#CC#Cc1cnco1,1,GDB ChEMBL
259595,C#Cc1c(C)cc(C(=O)CO)c(C)c1F,1,GDB ChEMBL
211165,COC(C)CC(Cc1cccc(C)n1)C(C)C,1,GDB ChEMBL
292734,C[NH2+]CC1CC([NH3+])CC1C,0,GDB ChEMBL
246966,CC1C2C[NH2+]C1C([NH3+])C2CC[NH3+],0,GDB ChEMBL
68473,C#CC1CCN(C)C(=[NH2+])N1,0,GDB ChEMBL
44328,CCCC1CC2CCC(O)CC2(C)C1C,0,GDB ChEMBL
366013,CCC1(C)C2CCC3(CCO3)C1C[NH+]2C,0,GDB ChEMBL
375882,N#CC1CCC2(CCOC2)N1,1,GDB ChEMBL
257958,C[NH2+]CC1(C[NH3+])CC2OC(=O)C1(O)C2O,0,GDB ChEMBL
201051,CCCCC(C)CCC1C(C)C1C,1,GDB ChEMBL
105098,CC1(C)CC=C(CCC[NH3+])C=CC[NH2+]1,0,GDB ChEMBL
124750,Cc1c(Cl)cc(CC2(C)CCCC2)cc1Cl,1,GDB ChEMBL
317591,NC=[NH+]CC(O)C(F)(F)F,0,GDB ChEMBL
71310,NC(=[NH2+])C(NC(N)=O)C(=O)C(O)CCO,0,GDB ChEMBL
354420,NC(=O)C1OC(CO)C2[NH2+]CC2C1O,0,GDB ChEMBL
4963,CC12C(C(N)=O)[NH2+]CC1C21COC(=[NH2+])N1,0,GDB ChEMBL
375564,CCC[NH+]1CC(C)(C2(C)C=CCO2)C1,0,GDB ChEMBL
172372,CC[NH2+]CCC1[NH2+]CCC1C1CO1,0,GDB ChEMBL
337835,CCCC1(CC(C)C)CCC([NH3+])C2C1N2C,0,GDB ChEMBL
203248,C#CCC1(C)Cc2c(ccc(Cl)c2Cl)CC1C,0,GDB ChEMBL
368479,CC(=O)c1nc(N)cncnc(N)nc1CO,0,GDB ChEMBL
385430,[NH3+]C1(C(=O)[O-])C=CC(=O)OCCCC1,0,GDB ChEMBL
240488,C[NH2+]CCN1CC2(O)C(O)C2C([NH3+])C1C,0,GDB ChEMBL
249443,CCC1C(C)CC(C2(C)CCCCCC2)C1C,0,GDB ChEMBL
249564,N=C1CNC(=O)OC(Cc2cccs2)CCO1,1,GDB ChEMBL
296370,CC(Cc1coc2cc(Cl)c(C)cc12)=NO,1,GDB ChEMBL
12845,CCOC(=[NH2+])NC(C)CC(N)(C#N)CN,0,GDB ChEMBL
51012,C[NH+](C)CCOC(=O)c1cc(=O)nc(N)s1,1,GDB ChEMBL
214424,CCC(O)(C(=O)[O-])C(N)C(=[NH2+])NC,0,GDB ChEMBL
35743,CC(C)CC=CC1C(C)(C)C1(C)C,1,GDB ChEMBL
26554,NC(=[NH2+])NCC1COc2[nH]nc(O)c2O1,0,GDB ChEMBL
146033,CC[NH+]1CCC2(OC)CC(C)=CC1C2,0,GDB ChEMBL
214000,CCCCCC1CCC(C)CC(C(C)C)C1C,0,GDB ChEMBL
190364,CCc1c(CO)csc1C(N)=[NH2+],0,GDB ChEMBL
304386,Nc1cc(C2=[NH+]CCN2)cs1,0,GDB ChEMBL
7376,CC1=CC(C)(C(N)=O)CC1,1,GDB ChEMBL
393956,CC(=O)N(C=O)CC(C)CCC#CC(C)[NH3+],0,GDB ChEMBL
126962,C[NH2+]C1C(=O)C2CC(C)CC1(O)C2C#N,0,GDB ChEMBL
98881,CCC1C=C(C)CC[NH+](C)C12CCC2,0,GDB ChEMBL
228488,C[NH2+]C1C(CC[NH3+])C2CCC(C(C)O)NC21,0,GDB ChEMBL
179171,CNC(C#N)C1NC(=O)C([NH3+])C2OC2C1O,0,GDB ChEMBL
126378,COC(=O)[N-]c1nc(O)c(N)c(=O)s1,0,GDB ChEMBL
217410,CC(O)C1CC2CC(C)(C)CC1CC2C,0,GDB ChEMBL
186704,O=C([O-])CC(=O)Nc1nn[n-]n1,0,GDB ChEMBL
61752,O=COCCCC(O)CC(=O)[O-],1,GDB ChEMBL
366789,CC(=O)C[NH2+]CCCc1cc(C)c(N)c(I)c1,0,GDB ChEMBL
350291,CCCOC(=N)n1cncc1OC,0,GDB ChEMBL
128278,CNC(=O)C(C[NH2+]C)COC=O,1,GDB ChEMBL
228443,CCC1(C)C([NH3+])C2C(C(=O)[O-])C2C1C[NH3+],0,GDB ChEMBL
383286,NC(=O)NC(CC1(O)C([NH3+])C1O)C(=O)[O-],0,GDB ChEMBL
27753,CC(C)CC1C2C=CCCCC(C)C21,0,GDB ChEMBL
363140,COC1C2C(C)OC(C(=O)[O-])C12O,0,GDB ChEMBL
150507,CC(O)CC1C2C3CC(O)C(C32)[NH+]1C,0,GDB ChEMBL
121126,CC1C=CCC(O)CC2C(=O)OC12,0,GDB ChEMBL
51364,CC1(C)CCCC(=O)C(O)C2CN2C1,0,GDB ChEMBL
11026,CCC(C)c1cc(C(C)O)c(C)cc1F,1,GDB ChEMBL
397071,C#CCC1C(C)CCC2CC=CCC21,0,GDB ChEMBL
250529,CC(=O)CCN1CC(N(C)C)C2C[NH2+]C(C)C21,0,GDB ChEMBL
340136,[NH3+]CC1[c-]2oc(=O)cc2C2CCC1[NH2+]2,0,GDB ChEMBL
348710,O=C([O-])CC1(C2C(O)C2O)COCOC1,0,GDB ChEMBL
24770,CNC(C#N)C1NC(C)C(O)COC2CC21,0,GDB ChEMBL
85683,CC1=CCc2ccc(Cl)c3c2C2C(C1)C2C3,0,GDB ChEMBL
56629,Clc1cc(C2CNC=[NH+]2)cc2occc12,0,GDB ChEMBL
264005,Nc1ncnc(=O)cc1CO,0,GDB ChEMBL
239157,CCC#CCCC(CC(C)C)C1(C)CC1,0,GDB ChEMBL
378870,NS(=O)(=O)OC1C(O)C(O)C(C[NH3+])C1C[NH3+],0,GDB ChEMBL
377931,CC1CNC(=O)CC2C1C2C(C)([NH3+])CC[NH3+],0,GDB ChEMBL
104969,C#CCC12CC(C)C(O1)C(C)C2CCCCC,0,GDB ChEMBL
251834,CC[NH+]1CC2(N)C(C)C2(CC)C1C,0,GDB ChEMBL
45967,CC#CCNC(=[NH2+])COC(C)=O,0,GDB ChEMBL
305593,C=C(C=O)c1ccc(C2CC2)nc1,1,GDB ChEMBL
122997,OCC1[NH2+]C2CCN3CCC1C23,0,GDB ChEMBL
141756,CC(=O)Oc1cn(C2(CO)CC([NH3+])C2)cn1,0,GDB ChEMBL
331708,CC(C)C[NH+]1CC(C2=CC(C)[NH+](C)C2)C1,0,GDB ChEMBL
146040,C#CC1(CCC)C(=O)NCC(C)C(C)CC1C,0,GDB ChEMBL
193237,CC#CC(CC[NH3+])C[NH+](C)C,0,GDB ChEMBL
67572,CC1C(=O)NCCC2(O)C(=O)OC12,0,GDB ChEMBL
33189,CN1C2COC3(C)C(O)C2CC13,0,GDB ChEMBL
334104,CN(CC1([NH3+])CC1O)C(N)=O,0,GDB ChEMBL
109468,CCn1nc(N)c(NC(=O)C(C)OC=O)c1C,1,GDB ChEMBL
13131,CCCC1CC(C)C(CCC[NH+](C)CC)C1=O,0,GDB ChEMBL
205947,CC1(O)CCCOCC1C[NH3+],0,GDB ChEMBL
127634,C#CC(C[NH3+])C1(O)CCC(C)CC1,0,GDB ChEMBL
173188,COCC1C2=CC(O)CC2CC(O)C1C,0,GDB ChEMBL
101530,CCC1=CCN(C2CC(C)CC23CO3)C1=O,0,GDB ChEMBL
104945,CC1CC2C[NH+](C)C1C1CCOC1O2,0,GDB ChEMBL
32004,NC(=[NH2+])C(CO)(C(N)=O)C(O)C(N)=O,0,GDB ChEMBL
119696,OCC1CC2C=CCC[NH+](C2)C1,0,GDB ChEMBL
169042,C#CCC1CCC(C)(C)OC(C)(C)CC1,0,GDB ChEMBL
222162,Cn1c(CC(=O)[O-])cnc1CCN=CNC=[NH2+],0,GDB ChEMBL
378941,CCC(C#N)=C(C=O)CC(O)CO,0,GDB ChEMBL
289961,OCc1csc(CC2CC[NH2+]CC2)n1,0,GDB ChEMBL
361188,CC[NH+](C)CC(OC)C(C)[NH+](C)CC(C)O,0,GDB ChEMBL
9818,CC(O)CC1CC(=O)OC2C(C#N)OCC2O1,0,GDB ChEMBL
358281,CN1c2nc(C#N)ncc2C2OC(C[NH3+])C21,0,GDB ChEMBL
394242,CCC1CC2(CC(C)C)C=CC(O2)C1[NH3+],0,GDB ChEMBL
157512,CC(=O)NCC1C(N)=NC2(C#N)C(N)CNC12,0,GDB ChEMBL
135842,CCCC(CO)(CCC)[NH+]1CC1,0,GDB ChEMBL
180832,CN=C1NC(C#N)(CCO)C(CO)O1,0,GDB ChEMBL
16529,COC(=O)c1cc2nc(O)cn2nn1,0,GDB ChEMBL
304622,CC(C)C1(CCCCC2CCC2)CC1,1,GDB ChEMBL
386542,Cc1ccccc1CCC#CC(C)C1CC1,1,GDB ChEMBL
344358,CC(=O)N1C(N)=NC2CC1C1C(CO)[NH2+]C21,0,GDB ChEMBL
50981,CC([NH3+])COC1CCN(C(N)=[NH2+])C1C(O)CO,0,GDB ChEMBL
292540,CCCC1CC2[NH2+]C2CCO1,0,GDB ChEMBL
234509,CC12CCCCOC3CN1C2C3O,0,GDB ChEMBL
87513,NC(=O)C([NH+]=C(N)N)C1C(O)C=CC1O,0,GDB ChEMBL
201979,CN(C(N)=[NH2+])C1(C(=O)[O-])C(N)C1O,0,GDB ChEMBL
38780,CCc1cc2c(C)c(C=O)nc(NC)c2[nH]1,1,GDB ChEMBL
129848,O=CN1CCNC(c2ccn[nH]2)CC1,0,GDB ChEMBL
184271,CC1=CCC2C(C)CCCC2(C)C1C,0,GDB ChEMBL
59216,C[NH2+]CC(=O)NCC(N)(CO)C(=N)OC=O,0,GDB ChEMBL
322925,CN(C)C1C[NH+]=C(N)C1C[NH3+],0,GDB ChEMBL
345392,CCCC(O)(C#CCCO)CS(=O)(=O)[O-],0,GDB ChEMBL
130628,CNC(=O)C1(C(=O)[O-])NC1C(N)=O,0,GDB ChEMBL
334752,CC[NH2+]C(CC([NH3+])C1OC(=N)NC1=N)C(=O)[O-],0,GDB ChEMBL
61867,CN1C(=O)C2(C[NH3+])OCC1C2(C)O,0,GDB ChEMBL
251405,COC1CCC(C)C(C)(C)[NH2+]CC(=NO)C1,0,GDB ChEMBL
268160,NC(=[NH2+])C1NC(=O)OCC(O)C([NH3+])C1O,0,GDB ChEMBL
76711,Cc1cnc(N)csc(=N)n(CCO)c(=O)n1,0,GDB ChEMBL
301498,[NH3+]CCOCCC1CNS(=O)(=O)O1,0,GDB ChEMBL
238177,CS(=O)(=O)NC(CC(=O)[O-])=NCC(N)C[NH3+],0,GDB ChEMBL
255388,CC(=O)N1CC(=[NH2+])NCC(N)C1C[NH3+],0,GDB ChEMBL
221956,C#CCc1cccoc(CCC)cc(C=O)c1,0,GDB ChEMBL
277116,CC(C)CC1(C)CCC#CCCCC1C,0,GDB ChEMBL
199487,CC(=O)N1C2CC(C2)C1C(O)(C[NH3+])CO,0,GDB ChEMBL
210171,CCCCC1CC=C2CC(C)C(O)C21,0,GDB ChEMBL
292269,CNC(=O)C1C(O)C1(N)C(=O)OC,0,GDB ChEMBL
130405,C[NH2+]C1C(O)CC2(CO)OC2C1O,0,GDB ChEMBL
303870,CCC1CC2CC(C)=CC(C3CC3)C1C[NH2+]2,0,GDB ChEMBL
339226,CC1C[NH+]=CN2CC(O)C(O)C(O)C12,0,GDB ChEMBL
102278,O=C1NCCC2OCCC2(O)CO1,0,GDB ChEMBL
151105,CCC(C)CC1(C)CCCCC1(C)C(C)O,0,GDB ChEMBL
378137,OC1C[NH2+]CC2C(O)C2OC1,0,GDB ChEMBL
212566,CCOC1CC(=O)N2CC12C1COC1,0,GDB ChEMBL
362638,C[NH2+]CC1NC(C(=O)[O-])C(O)C(O)CCC1[NH3+],0,GDB ChEMBL
232116,CC1CC(=N)N2C(=O)C(O)CC2(CO)C(=O)N1,0,GDB ChEMBL
81755,CCN(C(N)=[NH2+])C1C(=O)CC1O,0,GDB ChEMBL
236735,NC(=O)C(O)C1C=CC(C[NH3+])N1,0,GDB ChEMBL
353269,COC(C[NH3+])C1C2CC(C#N)NC1C2,0,GDB ChEMBL
104673,CCC(C)C1CCCC1C1(C)CC1,1,GDB ChEMBL
38218,CCC(O)(c1cnc(N)cn1)C(C)(C)[NH3+],0,GDB ChEMBL
186651,C#CC1CC2CCOCC(C[NH2+]C2)C1,0,GDB ChEMBL
101028,CCOc1nc(O)oc1CCCCC[NH+](C)C,0,GDB ChEMBL
186749,CC1=CCCC2C(C)CCOC2C1,0,GDB ChEMBL
384249,CNC(C1CO1)C(C#N)C(C)[NH3+],0,GDB ChEMBL
358103,CCCC1(C)CC2CC(CCC2O)C1C,0,GDB ChEMBL
94909,CC(=O)NCc1cc(O)nc(C(=O)NC=O)c1,1,GDB ChEMBL
368220,CCC1=CC2CCCc3ccc(Cl)c(c32)C1,0,GDB ChEMBL
201438,CCC(C(=O)NCC(O)C(C)O)C(C)O,1,GDB ChEMBL
382516,CN1CC(C#N)=CCC2[NH2+]CCC21,0,GDB ChEMBL
119289,C#CCCC1(C[NH+]=C(N)N)CC1,0,GDB ChEMBL
67854,CCN1C(=N)C(O)C2C[NH+]=C1NCCOC2,0,GDB ChEMBL
295895,C#CCC1CC(C(C)(CO)CCC)CC1(C)C,0,GDB ChEMBL
243899,C[NH2+]CC(CCO)C(N)=[NH2+],0,GDB ChEMBL
195328,C[NH+](C)CC=CC1(C[NH+](C)C)CO1,0,GDB ChEMBL
65602,Cc1ccc(O)c(CCCCCC[NH3+])cc1=O,0,GDB ChEMBL
89393,C#Cc1nc2c(cc(NC)ccs1)CCCN2,0,GDB ChEMBL
40352,CC(C)CC(CO)OCCC1([NH3+])C(N)C1N,0,GDB ChEMBL
203871,CC(C[NH+]1CC1C)C(C)C1CC1,0,GDB ChEMBL
34314,CCN1Cc2cc(O)c(N)cc2C1C(C)[NH2+]C,0,GDB ChEMBL
162875,N#CCC1C(O)CCOC2CC[NH2+]C2CC1O,0,GDB ChEMBL
338881,CC12CC[NH+]3C(CO)C4C(C1)C4C32,0,GDB ChEMBL
378256,Cc1ncc(N(C)C)nc1C[NH3+],0,GDB ChEMBL
47250,CCN1CC2CC3C(C)CC([NH2+]2)C31,0,GDB ChEMBL
181365,CC#Cc1cc([O-])c(Cl)cc1Cl,1,GDB ChEMBL
3944,O=C([O-])C1C2CCS(=O)(=O)C1C1=CC[NH2+]C12,0,GDB ChEMBL
34181,CCCCC(C)(C)OC(C)=O,1,GDB ChEMBL
317364,CCCC(CCOC)C(C)C,1,GDB ChEMBL
210183,CC1=CCCC(=O)OC(C[NH3+])C12CC2,0,GDB ChEMBL
319143,CC(C)C[NH+](C)CCN,1,GDB ChEMBL
85818,CC1CC(C)([NH3+])C(O)CC1[NH3+],0,GDB ChEMBL
26922,CN(C(=O)CO)C1CC2(CC=CC2)C1,1,GDB ChEMBL
120721,CCC[NH+]1CC2NC2(COCC[NH3+])C1(C)C,0,GDB ChEMBL
94662,CC(C)C12NC1CC([NH3+])C2C(=O)[O-],0,GDB ChEMBL
60653,CC1C2CC[NH+]1C1CC1C(O)C2,0,GDB ChEMBL
366888,C[NH2+]C(CNC(=O)OC)CC(N)=[NH2+],0,GDB ChEMBL
117411,CCC(=O)C12C[NH+](C)CC(OC(C)CO1)C2C,0,GDB ChEMBL
307897,CC[NH2+]Cc1ncc(O)c(C2CC2[NH3+])c1O,0,GDB ChEMBL
119862,CCCCCC12C=CC(CC)(C1)C2,0,GDB ChEMBL
93775,C#CCNC(=O)c1cnn(C)c1,1,GDB ChEMBL
267890,CC1=CC(=O)C2(C1)CC(O)C(CN(C)C)[NH2+]2,0,GDB ChEMBL
358891,CCCCC#CC#CCCO,1,GDB ChEMBL
133182,CCC[NH2+]CC1Cc2cc3c(n21)CCOC3,0,GDB ChEMBL
392523,CCNc1cc(CC[NH+]=C(N)N)nnn1,0,GDB ChEMBL
377027,Cc1cc(O)nn1C1CC2COC(C1)O2,1,GDB ChEMBL
140796,NC(=O)COc1nc(N)nc(F)n1,1,GDB ChEMBL
333668,NC(C[NH3+])C(O)C1(O)COC(CC(=O)[O-])C1[NH3+],0,GDB ChEMBL
201455,CCNC(=O)c1cncc2cc(C)nc-2n1,0,GDB ChEMBL
39715,CCc1c([O-])c(C#CC2C[NH2+]C2)n[nH]c1=O,0,GDB ChEMBL
157107,CNC1C[NH2+]CC1(NC(N)=[NH2+])C(O)CO,0,GDB ChEMBL
138387,CC(=O)N1CC2CC(C)CC([NH2+]2)C(=O)CC1=O,0,GDB ChEMBL
155832,C#CC1CCC[NH2+]CC(C(C)C)C(CC)CC1,0,GDB ChEMBL
112856,COC(C(O)CS(=O)(=O)[O-])C(O)C(O)C[NH3+],0,GDB ChEMBL
184880,CNC1(C(C)=O)C(=O)NC(C[NH+](C)C)C1O,0,GDB ChEMBL
313733,N=CN1C(=O)C2CC([NH3+])CC1C2CO,0,GDB ChEMBL
348694,CCC1C(O)CS(=O)(=O)C1C(N)=O,0,GDB ChEMBL
38781,CCC(=O)C(CS(C)(=O)=O)CS(=O)(=O)[O-],0,GDB ChEMBL
104634,CC1CC2C[NH+]1C1(C)CCCC2CC1,0,GDB ChEMBL
61877,N#CC1[N-]C(=O)CC2C(O)C12C[NH3+],0,GDB ChEMBL
338365,CN1CC=CCCC2CC(C1)[NH2+]2,0,GDB ChEMBL
280644,C[NH+](C)C1C2C=CC1NC(C=O)C2,0,GDB ChEMBL
169060,CC1CCC2C1CCCC21CO1,1,GDB ChEMBL
296987,NC(=[NH2+])CC(=O)OC1OC2CC[NH2+]C1C2,0,GDB ChEMBL
349480,CC(OCCn1ncnn1)C(=O)[O-],1,GDB ChEMBL
228463,CC1C(O)C12C[NH+](C)CCCO2,0,GDB ChEMBL
105125,CC(C)(O)CNC=O,1,GDB ChEMBL
127887,OCC1=CC2CCCC(C1)[NH2+]2,0,GDB ChEMBL
339001,CCCc1ccc(C(C)(C)CCC)c(Br)c1,1,GDB ChEMBL
257968,CCC1c2ccc(Cl)cc2C2CCCC12,1,GDB ChEMBL
65963,CC1C2C(C[NH+](C)C)CC(C)(C1[NH3+])C2O,0,GDB ChEMBL
96086,C#CCC1(C#N)CNC(C#N)CC1C,0,GDB ChEMBL
208433,CCC(O)(C1CC1)C1C[NH2+]C(C)C1,0,GDB ChEMBL
39985,[NH3+]Cc1cc(CCC2CCC3[NH2+]C3C2)no1,0,GDB ChEMBL
48212,NC(=O)OCC[NH2+]CC1CC1C(=O)[O-],1,GDB ChEMBL
157428,COC12CCC(C(=O)C1)C(O)C2O,1,GDB ChEMBL
188469,CNC(N)=[NH+]CC1CNC(=O)N1CC(O)C=O,0,GDB ChEMBL
263538,C#CC1C2C(CO)C(C)CCN12,0,GDB ChEMBL
109499,CCCC1OCCOC12CCC2,0,GDB ChEMBL
184067,CC(=O)OCC12CNC(C)(CN1C)C2=O,0,GDB ChEMBL
341292,CN1CC(O)CC(=O)CC2CC21,1,GDB ChEMBL
316304,CCCC1C([NH3+])CC(N)(C[NH2+]CC)C1C(=O)[O-],0,GDB ChEMBL
64084,CCC1C(C#N)CNC1C[NH3+],0,GDB ChEMBL
241137,CC([NH3+])C1CC[NH2+]C(CO)C1,0,GDB ChEMBL
236653,CCN(CC=O)C1C2CCC(C)C(O2)C1[NH2+]C,0,GDB ChEMBL
134767,CCNC(C(=[NH2+])NC)c1nccc(C[NH3+])c1N,0,GDB ChEMBL
375179,CCN(c1csc(N)n1)C(C#N)C#N,1,GDB ChEMBL
115762,C[NH2+]C1C=C(C)C2CC3CCCC=CC3C12,0,GDB ChEMBL
301193,CC(=O)CCC1N(c2nccs2)C1(C)C,1,GDB ChEMBL
355352,C=C1C(=O)C(C#N)NC1CCOC,0,GDB ChEMBL
210211,O=C(NCCO)C(O)c1cn[nH]n1,1,GDB ChEMBL
279134,CCc1nncc(CCNC(N)=[NH2+])c1I,0,GDB ChEMBL
155148,CC12CC1(C)C1CC2C[NH+](C2CC2)C1,0,GDB ChEMBL
114998,CCCC1CNC(=O)c2c(Cl)cc(C[NH3+])nc21,0,GDB ChEMBL
335471,C#CC1C=Cc2nccc(Cl)c2C1,0,GDB ChEMBL
254889,COC(C(O)CC[NH3+])C([NH3+])C(O)CO,0,GDB ChEMBL
98895,CNC(=O)C1=NC(C(=O)OC)C(C)CC(=O)N1,0,GDB ChEMBL
8759,CC1CC2[NH2+]CCC23C(=O)CC2OCCN1C23,0,GDB ChEMBL
256192,CCCC1=CCCCCC(CC(C)C)=C1,0,GDB ChEMBL
44626,C[NH+](CCN)CCC1CCCC(NC=O)CC1,0,GDB ChEMBL
125615,COC1CC2CC=CC(C)(C2)C1,1,GDB ChEMBL
383669,C#CCC(C)C12C[NH2+]C(CCN1)C2OCCC,0,GDB ChEMBL
220177,CC1(C)CCc2ccccc2C2CC21O,0,GDB ChEMBL
177232,C#CC1[NH2+]C(C2CC2C)c2cccc(Cl)c21,0,GDB ChEMBL
102135,CC1=[NH+]CC(O)C(C)CC(CC#N)N1,0,GDB ChEMBL
317194,[NH3+]C1CC(O)C2(O)C(=O)NC(=O)NCC12,0,GDB ChEMBL
160011,C[NH2+]C(C)COc1ncsc1CC[NH3+],0,GDB ChEMBL
334483,C=CC1CCCCCC(C)(CC)C1,1,GDB ChEMBL
31027,CC1OC(C)C(O)C2COC1C2,0,GDB ChEMBL
238042,CC1=CCC2C(C=C1)CC1CCC2[NH2+]1,0,GDB ChEMBL
33516,C[NH2+]CCc1ccc(C)o1,1,GDB ChEMBL
51872,C#CC(C)(C)OC1Cc2cc(Br)cc(Br)c2C1,1,GDB ChEMBL
181414,CCC(CC)OC1CCC2CCCC1(C)C2C,0,GDB ChEMBL
147851,CC1=CCNC(=[NH2+])NC(CO)C1,0,GDB ChEMBL
176531,CCCC1=CC(CCC)C(O)C1C(F)(F)F,0,GDB ChEMBL
301528,CCc1cn(CC)c(C2CC2C(N)=[NH2+])c1O,0,GDB ChEMBL
118484,CCCC1CC2C3C(C)CC(C)[NH+]3CC2(C)[NH2+]1,0,GDB ChEMBL
61710,C#Cc1c(O)cc(Br)c2c1C(C(C)CO)CO2,0,GDB ChEMBL
386190,CCC1CCCC2(C)CCC(C)(CC)C12,0,GDB ChEMBL
61321,C#CC1C(C)C1C(C)(C)CCCC,0,GDB ChEMBL
232050,Nc1cc(C(=O)CN2CCNC2=O)ccn1,1,GDB ChEMBL
354072,C=CC1CC(=C)CCC1(C)COC,0,GDB ChEMBL
76501,CCC(C)CC1C=CC2(C)OCCC12C,0,GDB ChEMBL
218559,CCC1(C)CCC2CCC1C(C(C)C)C2,0,GDB ChEMBL
119949,O=CC1=Cc2nn(CC(=O)[O-])cc2NC1,0,GDB ChEMBL
150161,CC1([NH3+])C=C(CO)C(O)C1,0,GDB ChEMBL
362360,CCCN=C(N)NC(=O)C(N)S(N)(=O)=O,0,GDB ChEMBL
316476,[NH3+]CC1Cc2cc(F)ncc2O1,0,GDB ChEMBL
338405,COC(=O)c1cc2c(nc1O)COC(CO)O2,0,GDB ChEMBL
177294,OC1C=C(CC2CC2)CCCC1,1,GDB ChEMBL
38495,CCc1ccc2c(c1C)C1(C)CC1C2,1,GDB ChEMBL
191532,C[NH+]=C(N)C1COC(=O)C(C)CN1,0,GDB ChEMBL
277694,CCC(C)C1(CO)C=CCC1,1,GDB ChEMBL
168430,CCC(C)CC1(C)CCC2(CCCCC2)[NH2+]1,0,GDB ChEMBL
296071,CCC1CCCCc2ccc3c(c21)C=CC3,1,GDB ChEMBL
76801,N=C(C(=O)[O-])N(C=O)C(=O)c1ccon1,0,GDB ChEMBL
377270,CCC(=O)Nc1[nH]c(C(C)[NH2+]C)nc1N,0,GDB ChEMBL
372221,CNC1CC(C(C)C=O)CCOC1=O,0,GDB ChEMBL
232075,N#CCCCC(O)C(=O)COC(N)=O,1,GDB ChEMBL
340553,CCC1C=CCCC([NH3+])(C(O)C(F)(F)F)C1,0,GDB ChEMBL
354856,NC(=O)NC(=O)C(CC(O)CNC=O)=N[O-],0,GDB ChEMBL
298925,CCC(C(C)[NH2+]C)C(C)(C)CCC1C[NH2+]1,0,GDB ChEMBL
225336,CC1[NH2+]C(C)C2C[NH2+]CCC1CC2N,0,GDB ChEMBL
347962,Cc1[nH]cc2ncc(N)cc12,1,GDB ChEMBL
244577,CCN(C(=O)NC)C(=O)C12NC1CNC2=[NH2+],0,GDB ChEMBL
34161,CNc1noc(CCOC)n1,1,GDB ChEMBL
352675,COCc1oc(N)nc1NC(N)=O,1,GDB ChEMBL
114991,ON=C1CC2COC1(c1ccccc1)OC2,0,GDB ChEMBL
330516,N#CC(CC(O)C[NH3+])OS(N)(=O)=O,0,GDB ChEMBL
174156,C#CC1NCC2CC(C)C(C(C)C(C)[NH2+]2)C1O,0,GDB ChEMBL
129778,CCn1cc(O)nc1COC,1,GDB ChEMBL
232048,N#CC(=O)n1c(O)nc(N)c1C(N)=O,0,GDB ChEMBL
132829,CC[NH2+]C1CCC2(OCC)CC12,0,GDB ChEMBL
94670,CCC1CC2C(=O)CC(C)(C)CCC1C2C,0,GDB ChEMBL
397964,Nc1ccnc(-c2nn[n-]n2)c1,0,GDB ChEMBL
199052,CC(CC=O)(CCO)OC1CC1,1,GDB ChEMBL
28334,COC1=NC(C)CN(C)C(=O)COC(=N)N1,0,GDB ChEMBL
6519,CC12CCC1(C[NH3+])C[NH2+]C2C(=O)[O-],0,GDB ChEMBL
337066,CCc1nccc2cnc(F)c(CC(C)C)c12,1,GDB ChEMBL
153711,[NH3+]CC1C=C2COCC(CCS(=O)(=O)N1)C2,0,GDB ChEMBL
216456,CCOC1CC2N(C1)C2(C)C,0,GDB ChEMBL
127172,CC(C)C1CCOC2CCC2[NH2+]C1,0,GDB ChEMBL
109481,NC(=O)c1c[nH]c(=O)c2nc(C3CC3)nn12,1,GDB ChEMBL
354804,CC(=O)NCC1(O)C(N)C([NH3+])C(O)C(O)C1O,0,GDB ChEMBL
239115,CC1CCCCC[NH+](C)C1CC(C)(C)CC=O,0,GDB ChEMBL
304095,CS(=O)(=O)[N-]c1cc2nonc2c(N)n1,0,GDB ChEMBL
360964,CCCC1(C(C)C)C=CC([NH3+])C=C1,0,GDB ChEMBL
274101,[NH3+]C1CC[NH2+]C2CC1OCC2O,0,GDB ChEMBL
240424,CC1CC(CCO)C2CC1C1=CC(=O)CC12,0,GDB ChEMBL
144634,CC[NH+](C)C(CO)CCN(C)C=O,1,GDB ChEMBL
380347,C#CC(C#C)N1CCCC(=O)C1,1,GDB ChEMBL
125570,CCc1ccc(C(CCO)C(F)(F)F)c(C)c1,1,GDB ChEMBL
391671,CCCCCc1c(C)cc(F)cc1F,1,GDB ChEMBL
391743,COC(CO)C1(O)C(C(C)[NH3+])C1(C)[NH3+],0,GDB ChEMBL
247480,N=C1NC(=O)CC2(C(N)=O)C(O)C2N1,0,GDB ChEMBL
345707,Cc1nc(-c2nn[n-]n2)sc1CC(=O)[O-],0,GDB ChEMBL
74279,C#CC1(C(=O)OC)C[NH2+]CCC(=[NH2+])N(CC)C1,0,GDB ChEMBL
384305,Cc1cccc(C2CN2C)c1,1,GDB ChEMBL
217170,CCCC(C)NC(=N)S(C)(=O)=O,1,GDB ChEMBL
180028,CC1CCC2(C)C3CCC(C)(O)CC([NH2+]C3)C12,0,GDB ChEMBL
240400,COc1cc(N)cc(S(N)(=O)=O)c1CO,1,GDB ChEMBL
102310,CCCc1cnc(Br)c(C(C)C)c1,1,GDB ChEMBL
296612,OCC1CC2CC(C3CC3)C(CC[NH2+]1)C2O,0,GDB ChEMBL
12784,NC(=O)C1CC2(O)COC1C2O,0,GDB ChEMBL
38782,CC1C(O)C12CC1C[NH2+]CC1C2,0,GDB ChEMBL
65912,CC1CC(C)C(O)C2(C(N)=O)CC2C1=O,0,GDB ChEMBL
137118,CCCc1cc(C[NH2+]C)n(C(C)C)c1,1,GDB ChEMBL
383319,CCC1CC([NH3+])C(C)C1CC#N,0,GDB ChEMBL
35448,CC(C)C(=O)N(C)C(=N)CO,1,GDB ChEMBL
336011,CNC1=C(C)C(=O)c2ccc(C)cc21,1,GDB ChEMBL
383792,CC1CCCCN2CC12CO,0,GDB ChEMBL
77721,OCC(O)C1C#CCCc2cc(on2)CN1,0,GDB ChEMBL
345522,C[NH2+]C1C2CCCC(O)C1OC(C)C([NH3+])CO2,0,GDB ChEMBL
173892,C#CC1CCCc2cc(F)c(F)c(C(C)C)c21,1,GDB ChEMBL
372116,CC(=O)OC1CC[NH2+]C(C=O)C1C,0,GDB ChEMBL
225405,CC#CC[NH+]1CCC=C(C)CCCC1,0,GDB ChEMBL
161038,C=CC([NH3+])C#CC(C)C(O)CCO,0,GDB ChEMBL
124296,Cc1c(O)c(O)c(C2CC2)c(C[NH3+])c1F,0,GDB ChEMBL
351396,[NH3+]C1CC2(O)C(C(=O)[O-])OCC2(O)C1O,0,GDB ChEMBL
22596,CC1CCc2cccc(N)c2O1,1,GDB ChEMBL
115384,CC1CCCC(C#N)C(C)(C(C)C)C1,1,GDB ChEMBL
127535,COC(=O)C1OCC(NC(N)=O)C1O,1,GDB ChEMBL
198644,CNC(=O)OC1C[NH2+]CC2C([NH2+]C)C12,0,GDB ChEMBL
121978,CC(C)C1CC2(C(=O)[O-])CCOC1C2,0,GDB ChEMBL
292225,C#CC1C2c3ccccc3CC1(C)C2CC,0,GDB ChEMBL
311003,CC1CC2(CO1)CC1C(=O)OC(C)C1CC2C,0,GDB ChEMBL
330114,[NH3+]C1(CO)CS(=O)(=O)NC12CC2C(=O)[O-],0,GDB ChEMBL
321985,O=C([N-]S(=O)(=O)CCO)C1CN1,0,GDB ChEMBL
235557,NC1C[NH2+]C(CO)C12CCCS(=O)(=O)NC2,0,GDB ChEMBL
279257,Cc1cc(Br)c2c(c1)CCC(C)C=CC2,1,GDB ChEMBL
242933,CC1CCCC=C(CCC2(C)CC2)C1,1,GDB ChEMBL
188135,CC12NC(CCO)COC1C2C[NH3+],0,GDB ChEMBL
343273,CC(=NCCCO)N(C(N)=[NH2+])[C-](C#N)C#N,0,GDB ChEMBL
22575,C[NH2+]C1CC(=O)[N-]S(=O)(=O)OCC1O,0,GDB ChEMBL
47771,NS(=O)(=O)CC(O)C1CC(O)CO1,1,GDB ChEMBL
239976,CC1CN=C(N(C)C=O)O1,1,GDB ChEMBL
169417,CCC1CC2OCC23C[NH+]1C3,0,GDB ChEMBL
348458,N#CC1(O)C2NCCOC(=O)NC21,0,GDB ChEMBL
389348,C#CC1CC=C(C)C(OCC[NH3+])C1C,0,GDB ChEMBL
348649,CC(C)c1cc(Br)cc(-c2cccs2)c1,1,GDB ChEMBL
330899,CC1[NH2+]CC(N)C1C(O)(C(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
29480,CC(O)C(C(=O)[O-])C1CC1C,0,GDB ChEMBL
202024,CC[NH2+]C1C(O)CC2([NH3+])CC12OC,0,GDB ChEMBL
252746,CC1=CCCC(O)C2CCC1C2(C)C,0,GDB ChEMBL
27004,C#CCC1(C(C)CCC)CCOC1C(F)(F)F,0,GDB ChEMBL
139850,CC(C)(C)C(=O)C1OC(CO)C1C(N)=O,0,GDB ChEMBL
115759,N#CC1CC(O)C(Cc2cn[nH]n2)N1,0,GDB ChEMBL
89144,Cc1cc(O)c2cc1CCC[NH2+]CCCCC2,0,GDB ChEMBL
367643,C#CCC(CCC)C(F)(F)F,1,GDB ChEMBL
124513,C[NH2+]C1CC1NCCC(N)=O,0,GDB ChEMBL
26915,CC#CCCC(C)(O)C[NH3+],0,GDB ChEMBL
311014,CCCC([NH3+])CC1CCCC2(C)OC2C1,0,GDB ChEMBL
94905,CC#CCOC1CN(CC)C1,1,GDB ChEMBL
105992,COC(=O)N(CCO)C(=O)C(=O)OC=N,1,GDB ChEMBL
375124,CN1CC(C(=O)[O-])CC1C#N,0,GDB ChEMBL
138334,CC(C[NH2+]CCO)C(O)C(=O)S([NH-])(=O)=O,0,GDB ChEMBL
372788,[NH2+]=CNC(CC(=O)[O-])C1CC(=O)C(=O)N1,0,GDB ChEMBL
275543,CC(C)(C)OC1(C)CC1c1ccc(F)cc1,1,GDB ChEMBL
46910,N#CC1(N)CN(CC(=O)[O-])C1C(N)=[NH2+],0,GDB ChEMBL
380359,C#CC(C#C)C(CC[NH2+]CC(C)(C)C)C(C)C,0,GDB ChEMBL
222142,CC(O)C(O)CNCC(C#N)C(C)([NH3+])CO,0,GDB ChEMBL
87488,CNC(=O)CC1C(O)C(C#N)OC1C(O)C#N,0,GDB ChEMBL
66160,CC1=C(C)Cc2c(Cl)cc(O)cc2CC1,0,GDB ChEMBL
218329,CCCC12CCC=CCCCC(C1)C(C)C2,0,GDB ChEMBL
300481,CCCC1CC(C)C(C)C1c1cccc(Br)c1,0,GDB ChEMBL
291906,Nc1nccc2oc3cc(Cl)c(Cl)c(Cl)c3c12,1,GDB ChEMBL
230236,CCS(=O)(=O)c1ccnc(NC=O)n1,1,GDB ChEMBL
215490,COCC1C2CCC(N)C(=O)OC21,0,GDB ChEMBL
186779,CC1CC[NH2+]CCC2OC(C)(C)CC2C(C)C1,0,GDB ChEMBL
135840,C1=CC2CCCCC(C2)OC1,1,GDB ChEMBL
103388,CCC1(O)CC(C)C1NC(=O)CC(C)[NH2+]C,1,GDB ChEMBL
36153,CC(O)(C(N)=O)C1(CNC(N)=O)C(O)C1O,0,GDB ChEMBL
244504,COCC1(C(=O)OC)CN(C(=N)N)C(=O)O1,0,GDB ChEMBL
305236,C[NH2+]CC1OCCC2(C)CC12,0,GDB ChEMBL
178022,O=C1CC(C(=O)NCCS(=O)(=O)[O-])O1,0,GDB ChEMBL
152047,COC1C(C)C12CC([NH3+])CC2O,0,GDB ChEMBL
396072,CCC1C(C)=CC(O)(C(F)(F)F)C12CC2,1,GDB ChEMBL
202053,CNC(=[NH2+])NC(=N)NC(=O)OC,1,GDB ChEMBL
55489,Cc1cn(C2CCCC2)c2cc(=O)occ12,1,GDB ChEMBL
304626,C[NH+]=C1NCC(C)[NH+]=C(N)N1,0,GDB ChEMBL
107851,CC1CC(=O)NC2C=CC1(O)C2=O,0,GDB ChEMBL
139810,CCOC(CC#N)c1c(F)c(C)cc(F)c1F,1,GDB ChEMBL
362590,CC#CC#Cc1cc2c(C)cc(Cl)cc2[nH]1,1,GDB ChEMBL
324260,CC1C2CC[NH2+]C(CCC#N)C12,0,GDB ChEMBL
6853,CCCC#CC1C2C3CC=CCC(CC3)C12,0,GDB ChEMBL
19421,NC(=O)Nc1sc([O-])c(COCCCO)c1N,0,GDB ChEMBL
389421,C#CC(=O)NC1C(NC(N)=[NH2+])C1C(C)[NH3+],0,GDB ChEMBL
210252,NC(=[NH2+])C(O)COC1CC2CC1C(C(N)=O)[NH2+]2,0,GDB ChEMBL
40293,CC1OC(OS(N)(=O)=O)CC[NH2+]CC1O,0,GDB ChEMBL
231155,OCc1cnc2cc[nH]c2c1,1,GDB ChEMBL
23526,CCCC(C)C(C)(CC)C1CCCC1[NH3+],0,GDB ChEMBL
186767,CC12CC3CC(C(O)C1C[NH3+])C2C3,0,GDB ChEMBL
395943,CCCCCC1(C)CCC1[NH2+]C,0,GDB ChEMBL
129418,CC#Cc1cc(I)c(C2CC2)cc1CC,1,GDB ChEMBL
126595,NC(=[NH2+])C1CN2C(=O)C(CO)N=C12,0,GDB ChEMBL
39684,CC1C=CC=CCCCC2CC2C1,0,GDB ChEMBL
183446,CNC(=O)NC1C(N)C1(C[NH3+])C(C)(C)O,0,GDB ChEMBL
130469,CC(O)C[NH+]1CC=CCC1,0,GDB ChEMBL
24044,O=Cc1ccc(N2CC=CC=CC2)c(Br)c1,1,GDB ChEMBL
309640,N#CC(N)C1CC2COC1C2O,1,GDB ChEMBL
112904,C#CCC(O)C#CCC(CC)CCO,1,GDB ChEMBL
334167,C#CC12OC(CC1C[NH3+])C(C)(C)C[NH+](C)C2C,0,GDB ChEMBL
109523,CCC(C)C(C#N)C#CCC(C)CO,1,GDB ChEMBL
148340,CC1OCCCCC2(C#N)OC(=O)NC12,0,GDB ChEMBL
383316,CCCCOC1(C)CC(C)([NH3+])C(C)(CCC)C1,0,GDB ChEMBL
67828,CCCC1(C)C(C)CC(C)C2CCC(C)C[NH+]21,0,GDB ChEMBL
34920,CCOCC1(O)CCC(CC)COC1,0,GDB ChEMBL
205758,CC#Cc1onc(CCC[NH3+])c1CC#N,0,GDB ChEMBL
291885,C[NH2+]C(C(=O)[O-])C1OC(OC=N)C(C[NH3+])C1O,0,GDB ChEMBL
135807,CC1(C)OC1CCC1CC(C(=O)[O-])[NH2+]1,0,GDB ChEMBL
266224,CC(=O)OC1C2C(C)OC1(C=O)CN2C,0,GDB ChEMBL
293798,CC(C)[NH2+]C(C)(C)C1CCC(C)C([NH+](C)C)C1,0,GDB ChEMBL
217693,O=C1NCC(O)C1N1CS(=O)(=O)C1,0,GDB ChEMBL
202792,COC(=O)CC1C2CC2C(C)C2CC21,1,GDB ChEMBL
31817,[NH3+]C1C(=O)NC2C(=O)N3CC3(CO)C12,0,GDB ChEMBL
377772,O=C1NC(c2ccno2)CO1,1,GDB ChEMBL
394319,CCC1(CC(=O)NC)CC1,1,GDB ChEMBL
245559,CCNc1ccc2c(c1)CN(C=[NH+]C)C2C,0,GDB ChEMBL
338926,CN(C)c1cnc(N)c2cccn12,1,GDB ChEMBL
144501,C#CC(C)C1(CCC(F)(F)F)CCCC1CC,0,GDB ChEMBL
258032,CNS(=O)(=O)C1(C(C)(C)COC)CC1,0,GDB ChEMBL
27020,COC1(C)CC(N(C)C(N)=O)C[NH2+]C1CO,0,GDB ChEMBL
205790,CC1CC2NC(=N)N(C(N)=O)CC2OC1=O,0,GDB ChEMBL
124277,CCC(CO)OC(CO)CCOC,1,GDB ChEMBL
34866,CCN(C)C(=[NH2+])NCC1(N)CC1OC,0,GDB ChEMBL
35487,CC#CCCCC(CC)C[NH3+],0,GDB ChEMBL
53676,CCc1cc(Br)c(C(=N[O-])C(N)=O)cc1N,0,GDB ChEMBL
189984,NC(=O)OC1C(O)CCC2NS(=O)(=O)CC21,0,GDB ChEMBL
362573,CC[NH+](C)CC(C)C1C(C(C)O)C1(C)C,0,GDB ChEMBL
132177,Cc1cncc2c(C3CCCC3)n(C)c(C)c12,1,GDB ChEMBL
313329,CC(C)(CO)[NH2+]CC1NC1C=O,0,GDB ChEMBL
130227,CCc1[nH]nc(OCCNC(C)=[NH2+])c1C,0,GDB ChEMBL
334347,COCC(C)C(N)=[NH+]CC1NC(=O)C(C)C1C,0,GDB ChEMBL
162513,CC1CCC[NH+]2CC(C2)C(C[NH3+])N1,0,GDB ChEMBL
174204,CNc1nc(F)nc(C=O)c1CS(N)(=O)=O,0,GDB ChEMBL
61846,N#CC1C2C(O)CC(O)C([NH3+])(C(=O)[O-])C12,0,GDB ChEMBL
381485,CCC(O)CCN1CC2C1=NCC2[NH3+],0,GDB ChEMBL
133357,CCC(C)C1CCCCC=CC12CC2,0,GDB ChEMBL
136546,N#CC1(CO)CNC(=O)CS1(=O)=O,0,GDB ChEMBL
304358,CCC1CCC(C)=CCC1(C)C(C)C,0,GDB ChEMBL
132705,C#CCC1CCCC(C)C(C)CCOC1C,0,GDB ChEMBL
240515,C1CN=C2CNCC(COC1)O2,1,GDB ChEMBL
280295,COCCCC1(O)CN(C)C1=O,1,GDB ChEMBL
89325,NC(CS(N)(=O)=O)=Nc1ccccn1,0,GDB ChEMBL
93126,O=C([O-])C(=O)Cn1nncc1C(=O)[O-],0,GDB ChEMBL
274409,CCC1=CC(=O)NC(C)=CCC(C)(C)C1,0,GDB ChEMBL
206942,CC(C)CCOC(=O)c1conc(CO)c1=O,0,GDB ChEMBL
98907,CC1=CC(C)C(C[NH3+])CC1O,0,GDB ChEMBL
255363,CC1C(O)CC2C(c3ccc(Br)cc3)C12,1,GDB ChEMBL
4924,CNC(=[NH2+])[C-](C(=O)NC(C)(C)C)S(C)(=O)=O,0,GDB ChEMBL
340525,CC(C)NC(CC1(CO)CC[NH2+]C1)=[NH+]CC#N,0,GDB ChEMBL
20725,NC(=O)C(C[NH3+])C[NH2+]CCO,0,GDB ChEMBL
358212,CCC[NH+](CCC=O)C(C)C,1,GDB ChEMBL
304436,C1CC23CC4CC2CC[NH+](C3)C14,0,GDB ChEMBL
366545,Cc1c([N+](=O)[O-])cc(N)nc1NC(=O)C#N,1,GDB ChEMBL
147528,CCC1([NH3+])CC([NH+]=C(N)OC)CC1O,0,GDB ChEMBL
340103,CC(=O)CCC1CC(CO)=CC(C(C)C)C1,0,GDB ChEMBL
335525,CC1=CC2CCC=CCOC1C2,1,GDB ChEMBL
141762,C#CC(CCCCCC)CCC(C)(C)C(C)C,1,GDB ChEMBL
386416,CNC(=[NH2+])C1CC(OC)CN1,0,GDB ChEMBL
358413,O=C1NC(C(=O)[O-])C2CC(O2)C1O,0,GDB ChEMBL
261352,Cc1cccc2c1CC(CC1CC1)CC2C,1,GDB ChEMBL
256010,CC1CC(C(C[NH3+])C[NH3+])NC(=[NH2+])C[NH+](C)C1,0,GDB ChEMBL
26619,CC1CC2C(CCC2(C)C)[NH+]1C,0,GDB ChEMBL
339268,CNc1c(Br)c[nH+]c(CCC(C)(C)O)c1OC,0,GDB ChEMBL
150112,C#CC1(C#C)CC(CC)CC1c1ccncc1,0,GDB ChEMBL
240471,CCC1(CCC2CCCC(C)CC2)CCCC1,1,GDB ChEMBL
133205,CC#CCC(CC)C(C)=CCCC,1,GDB ChEMBL
284372,CCC1(C)C2CCC(O)C1CO2,0,GDB ChEMBL
190268,CC(=O)C(CN(CC#N)C1C[NH2+]C1)N(C)C,0,GDB ChEMBL
3793,CC1(C)CCCC2=CC=CCC=CC21,0,GDB ChEMBL
388269,CN(Cc1cnc(-n2nccn2)nn1)C(N)=O,0,GDB ChEMBL
130379,CCC(C)C(C(C)O)[NH+]1C(C)C(C)C1C,0,GDB ChEMBL
273409,N#Cc1ncc(F)c(O)n1,1,GDB ChEMBL
267366,CC[NH+]1C(C)CC2=CC(C)CCC21,0,GDB ChEMBL
81069,C#CC1CC(C)(O)CC(CCC)CC1(C)OC,0,GDB ChEMBL
170080,O=C1CNCCCC1(O)CO,0,GDB ChEMBL
273671,CCC1(C)C(C)C(C)CCC1C(C)C,1,GDB ChEMBL
325916,C=CCCCOC1CC2CCC1C2,1,GDB ChEMBL
3994,CNC(=O)OC(=N)C(C=O)(CO)COC(C)=O,1,GDB ChEMBL
311682,CCCC1OCC(C)C1C1=CCC([NH2+]C)C1,0,GDB ChEMBL
188113,CC1CCC2CNC(=O)OC(C)C2O1,0,GDB ChEMBL
398945,CC12CC(C#N)NCC1CC2(O)C(N)=O,0,GDB ChEMBL
236608,Cc1nsc(CCC(C)C#N)c1NCC(N)=O,0,GDB ChEMBL
97100,NC(=[NH2+])NC1CC(C(O)C(N)=O)C1(N)C[NH3+],0,GDB ChEMBL
228332,CCCCC1C(CCC)C=CC2OC21,0,GDB ChEMBL
175731,C#CC1CC(C)(c2ccccc2Cl)C1C,1,GDB ChEMBL
87699,CC1([NH+]2CC3CC[NH2+]CC32)CC1,0,GDB ChEMBL
215468,N#Cc1c(OC=NCCCO)cc(N)nc1O,1,GDB ChEMBL
115410,CC([NH3+])Cc1ocnc1C1CC1,1,GDB ChEMBL
204322,CCCC(C)(C)C(CC)OC(N)=O,1,GDB ChEMBL
152013,O=C1C=CCC(O)C(O)C1,1,GDB ChEMBL
280019,CC1(C2CC=C(CCc3cccs3)C2)CC1,1,GDB ChEMBL
75834,CCC1C[NH2+]C2CC(C1)C1OC21,0,GDB ChEMBL
170118,CC(C)=CC(=CNCC#N)C(=O)[O-],0,GDB ChEMBL
59215,CCC(N)C1[NH2+]CC1C(O)CS(=O)(=O)[O-],0,GDB ChEMBL
161359,CC(=O)N1CC2NC2(C)C1=O,1,GDB ChEMBL
284279,OCCNc1cc(C2CN2)on1,1,GDB ChEMBL
18319,CCCC1(C)CCC(C)COC(CC)(CC)C1,0,GDB ChEMBL
33260,CCC1=C(C)N(C)CCC(C)([NH3+])COC1=O,0,GDB ChEMBL
305276,COC(=O)NCCC(=O)[O-],1,GDB ChEMBL
287310,CC([NH3+])C(C([NH3+])C(=O)[O-])C1OC1C#N,0,GDB ChEMBL
18906,C#CCC1OC1C[NH+](C)C(C)C(C)C,0,GDB ChEMBL
114799,CC1C=CC2CCC1[NH+]2C,1,GDB ChEMBL
368476,CC(C)C=CCC1CC=CC=CC1,1,GDB ChEMBL
203811,NC1C(O)C1NC(=[NH2+])NC(CO)C(=O)[O-],0,GDB ChEMBL
4811,Cc1c(OC(=O)CN(C)C)cc(CO)oc1=O,1,GDB ChEMBL
46032,CCC(C)(C)CCCC#CCC(C)C,1,GDB ChEMBL
206937,CCn1cc(C=O)n(CCC2COC2)c1=O,1,GDB ChEMBL
221967,CC[NH2+]C1(C)CC(c2cccc(F)n2)C1,0,GDB ChEMBL
134739,CC1CC2(C)C3CCC[NH+]3C1CC2(O)CC[NH3+],0,GDB ChEMBL
31290,CN1CC[NH+]=C1CC1[NH2+]CC2CCOCC21,0,GDB ChEMBL
36198,COCCC(C)C(C)CC[NH3+],0,GDB ChEMBL
312215,CC1CC1C1(C)C(O)C[NH2+]C1C,0,GDB ChEMBL
227944,[NH3+]C1CNCC2(CC(=O)[O-])CN2S(=O)(=O)C1,0,GDB ChEMBL
265494,O=CCC1CC(CC(=O)[O-])C1,1,GDB ChEMBL
38723,CN1CCCC(=O)CCS(=O)(=O)NC1=N,1,GDB ChEMBL
95527,C#CCC(C)(C)C(CC(CC)OCC)C(C)C,0,GDB ChEMBL
115920,N=C(N)NC(=O)C1C2NC3CC3NC21,0,GDB ChEMBL
367668,C[NH2+]C1CC2([NH3+])C(OC1C)C2C(=O)[O-],0,GDB ChEMBL
298187,COc1c(O)ccc(C2(C)CC2)c1Br,1,GDB ChEMBL
337400,O=C1CC2OCC(O)C(N1)C2O,0,GDB ChEMBL
334377,CCC(CC)CC1(C)CC1[NH2+]C,0,GDB ChEMBL
225406,Clc1cc2c(c3c1COCCC3)C[NH2+]C2,0,GDB ChEMBL
255546,C[NH2+]C(C)C(N)(CC(N)=O)C(C)O,0,GDB ChEMBL
34366,CCOC1C(=O)N(C)CC1C,1,GDB ChEMBL
169391,CC1CCC=CCN2CCCC2=[NH+]1,0,GDB ChEMBL
161083,COCc1cnc(F)c2c1OC(C)(C[NH3+])CC2,0,GDB ChEMBL
51061,CN(C=[NH2+])C(=[NH2+])NC(CO)C(O)C[NH3+],0,GDB ChEMBL
34965,N=C1CC([NH3+])CC(CC(=O)[O-])O1,1,GDB ChEMBL
121093,Cc1ccc2ccc(C3CC3)c(C)c2c1F,1,GDB ChEMBL
165934,OCCCC1C2OC1C1=C2C[NH2+]C1,0,GDB ChEMBL
112062,NS(=O)(=O)OC1C([NH3+])CC2COC1C2,0,GDB ChEMBL
322912,N#CC1C(O)C(CO)NC(=O)NC1C([NH3+])CO,0,GDB ChEMBL
345421,CCC(N)C12CC(O)C(C)(C1)C(CCO)C[NH2+]2,0,GDB ChEMBL
382103,CCCC1CNC(=[NH2+])C(C)CC(C(F)(F)F)N1,0,GDB ChEMBL
161358,C#CCCc1cccc(C(C)CCCC)c1C,1,GDB ChEMBL
365692,CCC(O)(CC1CCC(=O)N1)C(C)=O,1,GDB ChEMBL
183480,NC(=[NH2+])N1C(C(O)CO)C1(CC=O)C(=O)[O-],0,GDB ChEMBL
120899,[NH3+]C1C(=O)NC2(C([NH3+])C(=O)[O-])COC1C2,0,GDB ChEMBL
24744,COCC(C[NH3+])n1c(N)nc(N)nc1=O,0,GDB ChEMBL
61771,CNS(=O)(=O)CC1OCCC1=O,1,GDB ChEMBL
118720,CC([NH+]=C(N)N)C(CO)CO,0,GDB ChEMBL
33255,C#CCc1cc(Br)c2c(N)cc(O)cc2c1,1,GDB ChEMBL
98618,C#CCc1c(C)c(CC)c(C)c(CC#C)c1C,1,GDB ChEMBL
47737,CC(C)C1(C)C[NH2+]CCO1,1,GDB ChEMBL
243929,CCC1(CC(CO)C(C)O)C2CCC(C2)C1[NH3+],0,GDB ChEMBL
382957,C#CC(CC=O)N(CCO)CC1CO1,1,GDB ChEMBL
179169,CC[NH2+]CC1CC(C(N)C[NH3+])O1,0,GDB ChEMBL
66154,Nc1cc(CC(O)C[NH3+])c(N)c(O)c1NC=O,0,GDB ChEMBL
184629,CNC(=O)NC(=O)NC(=N)NC(=O)OC,1,GDB ChEMBL
67844,C#CCC(CCCC#CC)C(C)(C)CC,0,GDB ChEMBL
34391,CCCC1CC[NH+]2C(C)(C)CCC2(CC)C1,0,GDB ChEMBL
300540,CNC1(CC[NH3+])C([NH2+]C2CC2)C1(C)O,0,GDB ChEMBL
222145,CC(CC(=O)NC(=O)C(=O)[O-])NC(N)=[NH2+],0,GDB ChEMBL
114402,CCc1nc(CC(O)C2CC(=O)N(C)C2)cs1,1,GDB ChEMBL
338319,CCC(=O)OC1(C)CCCCCC1[NH+](C)CC,0,GDB ChEMBL
201734,CNC(=O)C1(N)C(N)C1OC(N)=O,0,GDB ChEMBL
59666,NC1C[NH2+]C(C(=O)[O-])C(O)CN2CC12,0,GDB ChEMBL
155153,CC1c2cc(Br)ccc2NCC2C(C)C12,0,GDB ChEMBL
74334,C[NH+]1CCC2(C)C=CC=CC(CO)C12,0,GDB ChEMBL
103911,CC(=O)n1nc(N)c(C#N)c1CNC1CC1,1,GDB ChEMBL
98593,CC1=CCCC(C)(C)C12CCC[NH2+]CCO2,0,GDB ChEMBL
161955,C#CC1C(C)CC(O)C1(C#N)CCC,0,GDB ChEMBL
129836,C#CCCCCC[NH+](CCC)C1(C)CCC1,0,GDB ChEMBL
173911,CCC1[NH2+]CC2C1OCC([NH3+])C2(C)O,0,GDB ChEMBL
124315,CC1(C)CN(C2CC2)C1=O,1,GDB ChEMBL
228788,CC#CCC(CC)C1(C)CC=CC1O,0,GDB ChEMBL
78652,[NH3+]CC12CNC(CO1)CC2O,0,GDB ChEMBL
252111,CC1CC2=C3C(CN31)OC(CO)C2=O,0,GDB ChEMBL
349637,O=C1NCC(O)C1(O)CO,1,GDB ChEMBL
38544,C#CC(CO)[NH+](C)CCC(C)(C)CC=O,0,GDB ChEMBL
77844,C[NH2+]CC(N)C(C)C1([NH2+]C)C(O)C1O,0,GDB ChEMBL
345412,CCC1(O)C2[NH2+]C3CNCCOC3C21,0,GDB ChEMBL
165928,CCN(C)c1conc1C[NH3+],0,GDB ChEMBL
21554,CC1NC(=O)NC2CC12,0,GDB ChEMBL
267334,C#CC(CO)CCCC1CCCC1,1,GDB ChEMBL
343218,O=Cc1ccc(=O)cc(O)n1,1,GDB ChEMBL
18313,N#Cc1c(C(N)=O)n[n-]c1CC(N)=[NH2+],0,GDB ChEMBL
148908,CN1CC(C#N)CC2(C)C3C(O)C[NH2+]C32C1,0,GDB ChEMBL
87674,CCCC1C2CCC(CO2)C(C)C1O,0,GDB ChEMBL
79351,C#CC(CCCCC)C(=O)CC,1,GDB ChEMBL
344324,NC1=NC(C2C(C=O)CCNS2(=O)=O)CO1,0,GDB ChEMBL
255423,CC1C(=O)CC(=O)N2C(CO)C12,0,GDB ChEMBL
130409,COC1C=CCNC(N)=[NH+]CCC(=O)O1,0,GDB ChEMBL
210279,CCC1C[NH2+]C(C(=O)[O-])C(O)COCC(C)[NH2+]1,0,GDB ChEMBL
82157,C[NH2+]C(COC)C(N)=O,1,GDB ChEMBL
41628,CCCOC1C(=O)NCC1OC(C#N)CO,0,GDB ChEMBL
174169,N=c1[n-]nc(NCCCNC(N)=O)o1,0,GDB ChEMBL
255459,CC(O)C1OC(=O)NCCC[NH2+]C1(C)C,0,GDB ChEMBL
349667,O=[N+]([O-])c1c(NCCO)noc1[O-],0,GDB ChEMBL
112659,O=CCC1Cc2ccsc2CCO1,1,GDB ChEMBL
210394,CCc1cc(Br)c(C(C)CC)c(Br)c1Br,1,GDB ChEMBL
31076,C#CC(=O)c1cccc(C(CC)[NH2+]CC)c1F,0,GDB ChEMBL
204325,CCCCC1CC12CCC(N1CC1)C2,0,GDB ChEMBL
235548,CCCC1(C2(C#N)CCN2)CC1,1,GDB ChEMBL
132435,CNc1ncn2c(C)c(Cl)c(C=O)cc12,1,GDB ChEMBL
375475,CC(CC[NH3+])OCCC1CC2CCC1C2(C)C,0,GDB ChEMBL
375559,O=C1NCCCC2(O)C(O)C3C[NH2+]CC(N3)C12,0,GDB ChEMBL
385393,Cc1ccn2c1C(=O)C(N1CC1)CC(O)C2,1,GDB ChEMBL
274885,CS(=O)(=O)NC1C[NH2+]CC#CC(C[NH3+])OC1,0,GDB ChEMBL
372503,CC12C3OC(=O)C1(O)C2(NC(N)=[NH2+])CC3[NH3+],0,GDB ChEMBL
156791,COCC(O)CC1C2C[NH2+]CC1(O)C(O)C2[NH3+],0,GDB ChEMBL
71300,C=C1CCN(C(=O)CN2CC2)CC1,1,GDB ChEMBL
291535,CC1CC2CC(CC2[NH3+])C2CC(O)CC[NH+]12,0,GDB ChEMBL
353992,CC1CC(O)C(C[NH3+])C(=[NH2+])N1CCO,0,GDB ChEMBL
33302,CC(C#N)NC(CN(C)CC=O)C(N)=[NH2+],0,GDB ChEMBL
276058,CC(=O)C(C)C[NH2+]C1(C)CC1,1,GDB ChEMBL
234272,CCCC1=CCC(C[NH+](C)C)C2CC12C,0,GDB ChEMBL
47804,CCCC(=O)C1(C)CCC[NH+]1C,0,GDB ChEMBL
13144,Cc1cnc(N)nc(N(C)CC#N)c([O-])cs1,0,GDB ChEMBL
4728,Oc1ccc(F)cc1C1CC2[NH2+]CCC21,0,GDB ChEMBL
230523,C#CCn1cncc1C(N)=[NH2+],0,GDB ChEMBL
238027,CC12CC(CC1O)C(CO)[NH2+]2,0,GDB ChEMBL
85004,COCC(C)(C#N)NC(N)=[NH2+],0,GDB ChEMBL
69566,C#Cc1c(C)ccc2ccc(Br)c(C(C)C)c12,1,GDB ChEMBL
271140,C#CC1C2C(C)[NH+](C)CCCCCN12,0,GDB ChEMBL
249607,CC12CCCC13CCC2CC3=O,0,GDB ChEMBL
225417,CC([NH3+])C12CC1C1C(O)CCC[NH+]1C2,0,GDB ChEMBL
209870,COC1=NC(C)CC(C[NH3+])N1,0,GDB ChEMBL
284853,CC1CC(C)(O)CCC2C1CC[NH+]2C,0,GDB ChEMBL
379265,Cc1c(I)ccc2c1C1(CC1)[NH2+]CC2,0,GDB ChEMBL
362335,CN1CCC(C(CO)C(=O)[O-])[NH2+]CC(O)C1=[NH2+],0,GDB ChEMBL
174029,CC1C2C3CC3C3C(C)[NH+]2CCN13,0,GDB ChEMBL
9713,COCC(C)(C)NC(=[NH2+])C(O)CC(=O)[O-],0,GDB ChEMBL
79334,COC1CC2[NH2+]C1C(CO)C2N,0,GDB ChEMBL
296289,COC1CCCCC[NH2+]C2C1=CCC21CC1,0,GDB ChEMBL
333050,CNC(=[NH+]C)C1(NCCC(=O)[O-])CC1,0,GDB ChEMBL
247196,CC(C)CCC#CCCC1(C)CC=CC1,1,GDB ChEMBL
45976,C#CCOCCCCC(C)(CO)CCC,1,GDB ChEMBL
316152,CC(C#N)(C(=O)[O-])C(N)=NC(CO)CCO,0,GDB ChEMBL
27907,CC[NH2+]C(C(N)=O)C1NC2CCOC1C2=O,0,GDB ChEMBL
368425,CC1COc2nccc(c2F)COC(=O)N1,1,GDB ChEMBL
141857,CCOCC1C(CC)C2C(C)COC1C2CC,0,GDB ChEMBL
48497,CC1C[NH+](C)C2(C1)CC2CO,1,GDB ChEMBL
282207,CCC(CC[NH3+])C(CO)C1(C#N)CC(C)CN1,0,GDB ChEMBL
151120,C#CCCCC(CCC)C(C#C)C#C,0,GDB ChEMBL
186693,[NH3+]C1C(O)COC(=O)NC1C(=O)[O-],0,GDB ChEMBL
6506,CN(C=O)CC(=O)NCC(CO)NC(=[NH2+])CO,0,GDB ChEMBL
98608,Cc1c(C2CC2)nc(CCC(N)C#N)n1C,0,GDB ChEMBL
108689,CC1OC(CO)C(N(C)C)C([NH3+])C1O,0,GDB ChEMBL
53017,CCC([NH2+]C)C(=O)C1C(=O)NCCC1=NO,0,GDB ChEMBL
358615,CCC[NH+]1CCC2C(C)(C)C2(C)CC1,0,GDB ChEMBL
240809,Cc1nccc2c(cc(CO)o1)CC(C)[NH2+]C2,0,GDB ChEMBL
378280,CC1CCC(C)[NH+]1C(C)C1(CO)COC1,0,GDB ChEMBL
191666,CN1CC(CCCCC(C)(C)C)=CCC1=[NH2+],0,GDB ChEMBL
57293,CC1(C[NH2+]C2CCC(O)C2)CO1,0,GDB ChEMBL
115395,CC1C(NC(N)=O)C2CC[NH2+]C1C2(C#N)CO,0,GDB ChEMBL
322942,CC[NH2+]C(C)C1C2C=CC(O2)C1CC,0,GDB ChEMBL
395616,CC1C2N(C)C(=O)C([NH3+])C(CO)C12O,0,GDB ChEMBL
54123,CCC1CC2C[NH2+]C(C1C)C(C)(O)C2,0,GDB ChEMBL
99613,CC1CC(=O)C(CS(=O)(=O)[O-])C(=O)C1,0,GDB ChEMBL
186692,C#CCCC(C(=C)C#C)[NH+](C)CC,0,GDB ChEMBL
367661,CCC1OCC1[NH+]1CCC1,0,GDB ChEMBL
225342,CC1CC2C(C)CC1C1CC=CCC21,0,GDB ChEMBL
380597,CCc1cc(N)c(C(N)=O)s1,1,GDB ChEMBL
326425,CCC(=O)N(C)CC[NH+]=C(N)N,0,GDB ChEMBL
69629,C#CC1(C)NC(=NCC(F)(F)F)CN(C)C1=O,0,GDB ChEMBL
354866,CC1CC(C)C2(C)CCCCCC1CC2C,0,GDB ChEMBL
151711,CNC(C(N)C#N)C(OC(N)=O)C([NH3+])C(=O)[O-],1,GDB ChEMBL
68610,CNC(=O)C1OC(C)C23C(N)C[NH2+]C2CCC13,0,GDB ChEMBL
174046,[NH3+]C1CC([NH3+])C1C(O)CO,0,GDB ChEMBL
124184,CC(N)=[NH+]CCCOC1C(C)CC(C)(C)C1[NH3+],0,GDB ChEMBL
141806,C#CC(CCCC)CC(F)(F)F,1,GDB ChEMBL
151725,N#CCCC12CC(CC1CO)NC2=O,0,GDB ChEMBL
296304,Cc1ccc2cc(c(C[NH3+])ncn1)C1CC21,0,GDB ChEMBL
77790,CCC=CC1(C(N)=O)OCCCO1,1,GDB ChEMBL
35307,CC(C)C1Cc2c(Cl)cc(O)c(Cl)c2C1,1,GDB ChEMBL
238010,CC1[NH2+]C2CC1C(C)N(C)C2,0,GDB ChEMBL
53712,NC(=O)C1CC2C(O)C1NS2(=O)=O,0,GDB ChEMBL
387325,O=C1CC2(O)CC(CCO)[NH2+]CC3C1C32,0,GDB ChEMBL
32063,C[NH2+]Cc1c(C)csc1C,1,GDB ChEMBL
322935,[NH3+]C(CNC=O)C1OC1C(O)CO,0,GDB ChEMBL
103462,CNC(=O)C(N)C1(N)CNC(=O)OC1,0,GDB ChEMBL
120850,Cc1csc2c1N(C)C(=O)CNC2,1,GDB ChEMBL
267906,CCNC(=O)NC1C2OCCC12C,0,GDB ChEMBL
322946,CC#CC([NH+]=C(C)N)C(O)CC(C)CC,0,GDB ChEMBL
160388,CCC(C)(C)CCC(C)(C)CC1CC1,1,GDB ChEMBL
257468,C#CC1C(CCC)C2CC2C1OC,0,GDB ChEMBL
360834,C#Cc1c(C)cc(C(C)CCC)cc1Cl,1,GDB ChEMBL
112885,CCC1[NH2+]C2CC(C)C(=O)C2COC1CC,0,GDB ChEMBL
95902,CN=C1NC(=O)C(N)(CN)C(=O)N1,0,GDB ChEMBL
383728,NC(=[NH2+])NCC1C2CC([NH3+])CN12,0,GDB ChEMBL
354791,C[NH2+]CCNC(CO)C(=O)[O-],1,GDB ChEMBL
125546,CC1=CC2CC3(CO3)C[NH+](C)C2C(C)C1,0,GDB ChEMBL
304397,COCC[NH2+]CCOC,1,GDB ChEMBL
151729,CC1[NH2+]C2(C(N)=O)CC2C1(C)C,0,GDB ChEMBL
193231,C#CC1(C[NH3+])C(CC(C)C(F)(F)F)C[NH2+]C1C,0,GDB ChEMBL
130420,CC1CC23CCOCCC(C1)(C2)C3,0,GDB ChEMBL
378107,C#CC1(O)CC(C)Cc2ccc(I)cc21,1,GDB ChEMBL
299982,CCOCC1C(C)CC2CN21,1,GDB ChEMBL
26383,CCC1CCC=CCC1(C)C[NH2+]C,0,GDB ChEMBL
334372,CCCOCC(=O)N(C)C=O,1,GDB ChEMBL
287004,CN=C1OC2CC([NH3+])(C(N)=O)CC1C2(C)C,0,GDB ChEMBL
257420,CCCC(OC)C1OC(=N)CC1C(C)C,0,GDB ChEMBL
190828,CCc1cc(=O)[nH]c(CCC[NH3+])n1,0,GDB ChEMBL
246809,N#CC(N)C1CC(O)C(C(=O)[O-])O1,0,GDB ChEMBL
2133,CNc1cccnc1C,1,GDB ChEMBL
319349,Cc1ccn2c1C=CC([NH2+]CC(C)(C)O)C2,0,GDB ChEMBL
278215,Cc1cc(C(C)C)c(Cl)c2c1C1CC2C1,1,GDB ChEMBL
31278,O=C([O-])C1C2CC3C4CC(CN42)[NH+]31,0,GDB ChEMBL
28292,C[NH2+]C(CN)C1(O)CC2CC1(C)CC2O,0,GDB ChEMBL
309671,COC(=O)N(c1cc(O)cc(I)c1N)C(C)C,1,GDB ChEMBL
300689,CCCC1C(C)CC(C)CCCCC1C(C)C,0,GDB ChEMBL
155068,CCCCCC1(CC(C)C)CC(C)(C)C1,1,GDB ChEMBL
33563,CCC12CCC1(CC)COC2,0,GDB ChEMBL
274971,CCc1c(Cl)c(C)c(Cl)c(CC)c1CC,1,GDB ChEMBL
277598,C[NH2+]C1CNCC2C(=O)CC1(C)C2O,0,GDB ChEMBL
260128,CN1CC(=O)C(CO)NC2=NCC(C2)C1,0,GDB ChEMBL
338949,CC12[NH2+]CC(C(=O)[O-])OC1(C)C2CO,0,GDB ChEMBL
131641,C[NH2+]C1CC(=O)NC12C(N)C2C(O)CO,0,GDB ChEMBL
362184,CC1(C)C[NH2+]CC2(O)CCC1C2,0,GDB ChEMBL
330496,CC1=CCC(C)OC(=N)CC(C)CC1,1,GDB ChEMBL
317300,CC(O)CC[NH2+]CC(=O)Nc1c[nH]c(=O)[nH]1,1,GDB ChEMBL
104493,Cc1c(CC(C)C)nc(OCC#N)c(Br)c1Br,1,GDB ChEMBL
203618,NC(=O)CC[NH2+]C1COC(C(=O)C(N)=O)OC1,0,GDB ChEMBL
200740,CC1C2CC3C(CC1[NH+](C)C2)C3(C)C,0,GDB ChEMBL
258277,CCCC(C)([NH3+])C(C[NH2+]CC)NCC,0,GDB ChEMBL
328915,Cc1ccc2c(c1)N(C)C(=O)C1[NH2+]CC=C21,0,GDB ChEMBL
155156,CC1CC(=O)N2CCC12C#N,1,GDB ChEMBL
277137,C#CCC(C)(C)CC(CC[NH2+]C)[NH+](C)C,0,GDB ChEMBL
217350,C#CC1([NH+](C)C)C(C)CCC(C)(O)CC1O,0,GDB ChEMBL
358286,CCC1(O)CCC2CC(C[NH+](C)C)CC21CC,0,GDB ChEMBL
149424,NCC1CNC(=O)CCNC(N)=[NH+]1,0,GDB ChEMBL
1452,CC#CC1=CC(C)CCCC(C)(C)NC1=O,1,GDB ChEMBL
119955,CCCC1C(CC)=CCC1C[NH3+],0,GDB ChEMBL
214436,NC(=[NH2+])NCCCn1ncnn1,1,GDB ChEMBL
23628,N#CC(C(=O)[O-])c1[nH]ncc1C[NH3+],0,GDB ChEMBL
294762,CC1CCC2OCC3CC(O)C1C32,0,GDB ChEMBL
35678,CCC(CC)C[NH2+]C1CC(C)C2=CCCC21,0,GDB ChEMBL
308693,CC1=CC(CO)(C2CCC([NH3+])C2)C(C)C1,0,GDB ChEMBL
99444,C#CC(CO)(CC(C)CCOC(C)CC)[NH2+]C,0,GDB ChEMBL
265279,CCCCCC(C)CC1CC=CC1C,0,GDB ChEMBL
102288,CC12CC([NH3+])CC(CCCC3CC31)C2,0,GDB ChEMBL
305115,CC(C[NH3+])N=C1CCC2CC(O)C(C2)O1,0,GDB ChEMBL
28260,CC#Cc1c(C2CC2)ccc(O)c1Br,1,GDB ChEMBL
215681,C[NH2+]Cc1nn(C)cc1NC(=N)OCC(N)=[NH2+],0,GDB ChEMBL
64097,COC1(C[NH3+])CC(C)(C)OC1=O,0,GDB ChEMBL
203200,COC1(Cc2nnn[n-]2)CN(C(N)=[NH2+])C1,0,GDB ChEMBL
248250,Ic1cc2cc(c1)NCC#CCCC=C2,1,GDB ChEMBL
243921,CC[NH2+]CC1(C(C)C)OCCCC1(C)C,0,GDB ChEMBL
87129,CC1C([NH3+])C(CC#N)C(C(N)=O)N1C,0,GDB ChEMBL
203329,CC1CCC=Cc2cccc(Br)c21,1,GDB ChEMBL
174232,[NH3+]C1(C(=O)[O-])C2COC(C(O)CO)C21O,0,GDB ChEMBL
235634,CCC1(CC)C2CC[NH+]1C(C=O)C2,0,GDB ChEMBL
58984,c1cc2c(s1)CN1CC1C2,1,GDB ChEMBL
180948,CCCC(O)C(=N[O-])C(OC(N)=O)C(N)=O,0,GDB ChEMBL
244446,Cc1c(CC(C)(C)C(=O)CO)cn[nH]c1=O,0,GDB ChEMBL
3928,CCC(C)(C)OC(=O)CNC(=[NH2+])N1CCC1,1,GDB ChEMBL
328835,CCOC(CC)c1ccc[nH]1,1,GDB ChEMBL
247549,CCCC1C(C)CC(C(C)C)C1CC,0,GDB ChEMBL
240004,CCCNC(=[NH+]C)c1cc[nH]c1C(O)CC#N,0,GDB ChEMBL
105091,C[NH2+]CC(=O)c1cc(O)cc(C)c1Br,1,GDB ChEMBL
226243,CCC1C(C)C(C)CC12CCC[NH2+]2,0,GDB ChEMBL
57292,CC(N)=[NH+]C1CC2CC1(C#N)[N-]C2=O,0,GDB ChEMBL
190817,CC(O)C1OC(=O)C(N)CNS1(=O)=O,0,GDB ChEMBL
204160,C#CC1CC2C(CO)C2C[NH+](C)C(CC)C1,0,GDB ChEMBL
179138,CCC(C)C(CO)C(O)C[NH2+]C,0,GDB ChEMBL
284874,O=CC(C[NH2+]CC(CO)CCC(=O)[O-])=N[O-],0,GDB ChEMBL
101931,CCC(C)[NH+]1CC=CCC1CO,0,GDB ChEMBL
277910,CC(C)(C)NC1=NCC(=O)N1CCC[NH3+],1,GDB ChEMBL
215326,CC#CC#Cc1c(C[NH3+])cc(=O)[nH]c1C,0,GDB ChEMBL
62066,C#Cc1noc2cc(CC(C)C[NH2+]C)ccc12,0,GDB ChEMBL
50862,C[NH+]1CC2C3(C)CCOC3C1C(O)C21CC1,0,GDB ChEMBL
191315,CC#CCC(C)(C)[NH+]1C(C)CC([NH3+])CC1C,0,GDB ChEMBL
109195,O=C1CC(CO)C2(COC2)O1,0,GDB ChEMBL
358261,CN1CC2COC3(C)C[NH+](CC3CO)C(C2)C1,0,GDB ChEMBL
193787,N=C1NC(=O)C(NCC(=O)[O-])C1N,0,GDB ChEMBL
236033,C[NH2+]C1C(O)CC2(CO2)C1C,0,GDB ChEMBL
353249,Nc1c[nH]c(C(=O)OCC[NH2+]CCO)n1,0,GDB ChEMBL
3934,CCCC[NH2+]C12CC1CCOC2CC,0,GDB ChEMBL
5886,COC1C2NC(=O)CNC21C1(C)CC1,0,GDB ChEMBL
366922,C#CC1(C)NC2CC(=O)OC1(CC)CC2O,0,GDB ChEMBL
330032,NC(=O)COC1CCCO1,1,GDB ChEMBL
378596,CCc1ncnc(CC)n1,1,GDB ChEMBL
119992,CCN1CC#CCCc2ncc([nH]2)C1,0,GDB ChEMBL
286863,CC1C(O)C(O)C=CC2NC(=O)NC21,0,GDB ChEMBL
382522,CC(=O)c1cn(CC(O)C(C)C)nn1,1,GDB ChEMBL
274212,CC1(C[NH3+])CCNC(=O)C1,0,GDB ChEMBL
284363,COC(=O)C(O)CC1CC1(O)CC(=O)[O-],1,GDB ChEMBL
286822,NC(=[NH2+])C1NC2C(=O)OC1C2O,0,GDB ChEMBL
98612,CCC(CC(C)(C)C)C(C)C(C)C(C)[NH3+],0,GDB ChEMBL
383986,CC(C(O)C1C([NH3+])C1(C)O)N(C)C(N)=O,0,GDB ChEMBL
348855,CCC1CC(O)C2CC([NH3+])C3C1C23,0,GDB ChEMBL
99854,CCOCCC1CCC(=[NH2+])NC2CCC(C)C12,0,GDB ChEMBL
247204,CN(CC[NH3+])CC1(C[NH3+])COCOC1,0,GDB ChEMBL
54822,CCC(CC(F)(F)F)C(C)C1CCCC1,1,GDB ChEMBL
140139,CCCC1OCCC=C2CC(C)[NH2+]C21,0,GDB ChEMBL
103481,C#Cc1c(N)nc(C)c2cc(I)ccc12,1,GDB ChEMBL
197258,C#CC1CC([NH3+])Cc2c(Cl)ccc(Cl)c21,0,GDB ChEMBL
250525,NCC(CO)(Cc1cnc[nH]1)C(N)=[NH2+],0,GDB ChEMBL
66626,C#CC1CC=CCCC2CC(CC)C1C[NH2+]2,0,GDB ChEMBL
136137,CCC1CC2CC(C)=CC2CC(C)(C)C1,0,GDB ChEMBL
185985,CC1=CC2=CC(C)CC(CNC(=O)C=C1)C2,0,GDB ChEMBL
65582,CCC1CC2(C)[NH2+]C(C)C[NH+](CC2C)C1C,0,GDB ChEMBL
360850,CCC1OC(C[NH3+])(CCO)C2C[NH+](C)C12,0,GDB ChEMBL
359147,CC1C2CCC1C1C2C2CCCC[NH+]1CC2,0,GDB ChEMBL
144532,CC(Nc1cc(O)n[nH]1)C(=O)[O-],0,GDB ChEMBL
165219,OCC#CCCc1ncn2c1CCC2,1,GDB ChEMBL
64078,COC1C(C)NC(=O)C1OS(N)(=O)=O,0,GDB ChEMBL
394320,C[NH2+]CC1NC(=O)NC1C1CO1,0,GDB ChEMBL
251859,C[NH2+]C1CCC2CC1C(C)C(C(C)=O)C[NH2+]2,0,GDB ChEMBL
382133,CCOC(=O)c1c(CO)noc1CC(C)C,1,GDB ChEMBL
207399,C#CC(=O)N(C)CC([NH3+])CC1(O)COC(=N)C1,0,GDB ChEMBL
90313,Cc1sc([N+](=O)[O-])cc(=N)c1C(N)=O,0,GDB ChEMBL
35023,CN1C(C(N)=O)C(O)C2(O)CC12,0,GDB ChEMBL
127159,CCC1[NH2+]CCCCC(C)=C1C,0,GDB ChEMBL
91222,CNCC1CCC(CC=CC#N)[NH2+]1,1,GDB ChEMBL
358119,[NH3+]Cc1nc2c(c(=O)o1)C(=O)OCC2,1,GDB ChEMBL
22864,CCC1C2C=CC(C2C)C1CC(C)(C)[NH3+],0,GDB ChEMBL
172783,CC12CCCC1C[NH2+]C1COC2C1(CO)CO,0,GDB ChEMBL
174811,[NH3+]CC12CCCC1C1CC1COCC2,0,GDB ChEMBL
132520,C#CC(COC)Cc1cnc(Br)cc1Br,1,GDB ChEMBL
227912,CC1CC(C2(CC(=O)[O-])CC2)=CC1=NO,1,GDB ChEMBL
169369,CC1=CCCc2cc(c(I)cc2C)CCC1,1,GDB ChEMBL
384284,COCCN(C)C(C#N)CC1C[NH2+]C1,1,GDB ChEMBL
316327,C#CC1(CO)C=C(C#N)C(=O)NC(=N)N1,1,GDB ChEMBL
219559,CS(=O)(=O)NCC(C(=O)[O-])C([NH3+])CN,0,GDB ChEMBL
126908,Nc1cncc(Cl)c1C1CC(O)CCO1,1,GDB ChEMBL
98605,CC1(CCC[NH3+])NC(=O)C1CNC(=O)CO,0,GDB ChEMBL
74308,C#CCC(CC)(CC)c1ccccc1C(C)C,1,GDB ChEMBL
173114,NC(=[NH2+])NC1=NC(CO)C(=O)N1,0,GDB ChEMBL
17474,C#CC1=C(C)C[NH+]2CCCC(CCC1)CC2,0,GDB ChEMBL
119813,CC(C)(C)[NH2+]C1CC=CCCC1,0,GDB ChEMBL
107653,C[NH+](C)C1COC2CC([NH3+])CC1C([NH3+])C2,0,GDB ChEMBL
127290,CCC1CC(CC2CC2C)CC1OC,1,GDB ChEMBL
11237,C#CC(CCC)C(CCC)C(C#C)CCCC,0,GDB ChEMBL
137082,CC1c2nccc(F)c2C[NH+](C)CC1(C)C,0,GDB ChEMBL
10991,COC1C2CN(C=O)C(C(N)=O)C1(C)C2O,0,GDB ChEMBL
3769,[NH3+]C(C(=O)[O-])C1CS(=O)(=O)NC2CC(O)C21,0,GDB ChEMBL
363542,CC(C)(O)C1([NH3+])CS(=O)(=O)NC1CC[NH3+],0,GDB ChEMBL
354041,COC12CCC(CC[NH2+]C1)C2(C)C,0,GDB ChEMBL
47710,CC1[NH2+]C2(CO)CCC(O)C(C1C(=O)[O-])C2O,0,GDB ChEMBL
288449,COC(=O)Cn1nc(O)c(CO)c1C=O,1,GDB ChEMBL
29595,CC1=CC(=O)CCC1C(C)(C)O,1,GDB ChEMBL
341306,CNC(=O)C1C(O)C(O)C2CC21[NH3+],0,GDB ChEMBL
46019,C#Cc1cc2[nH]cnc2cc1NC=O,1,GDB ChEMBL
12768,C#CC1CC(C(OC(=O)CN)C(=O)[O-])C[NH+]1C,0,GDB ChEMBL
24000,CC1CCC2NC=[NH+]C2C1O,0,GDB ChEMBL
246392,CCCC1OCc2oc3ccc(Cl)cc3c21,1,GDB ChEMBL
353532,CC(C)S(=O)(=O)NCC(N)(C#N)C1CC[NH2+]1,0,GDB ChEMBL
337969,CCc1c(C)cc(F)c2c1C1CC1C=C2,1,GDB ChEMBL
359189,CC(=O)NCCOc1c(Br)nn[nH]c1=O,0,GDB ChEMBL
394364,NC(=O)OC1CC(=O)NC1C(N)=O,1,GDB ChEMBL
303898,CCN(C=O)C(C)(CC)CCN(C)CC[NH3+],0,GDB ChEMBL
62549,N#Cc1c(C(N)=[NH2+])c(CO)cc2cc(O)cn12,0,GDB ChEMBL
160069,C#CC1=CC[NH2+]CCC[NH2+]CC=CC1,0,GDB ChEMBL
111568,CC1[NH2+]C2C(C#N)CCC3OCCCC1C32,0,GDB ChEMBL
127150,C[NH2+]C1C(C)C1(C)C1C(=O)N(C)CC1[NH3+],0,GDB ChEMBL
338593,C#Cc1cc(I)c(N(CC)CC[NH3+])c(C)c1O,0,GDB ChEMBL
157106,CCCCCC1C2C=CCC(C2)C2CCC12,0,GDB ChEMBL
387283,CC1CC[NH2+]C1C1CC(C(C)(C)O)O1,0,GDB ChEMBL
29713,CC1CCOC2CC(C)(O)CC12,0,GDB ChEMBL
259340,CC(C)C(CC1C(O)C(C)CC1(C)C)NC=O,1,GDB ChEMBL
184679,N#Cc1nc2c([nH]cccc1C[NH3+])CCC2,0,GDB ChEMBL
193271,C[NH2+]C1CC2CNC1C(O)C2C,0,GDB ChEMBL
192585,C#CCCC(C)(CC)[NH+](C)C,0,GDB ChEMBL
277860,C#CC(CCCCCC)CC1CCC1,1,GDB ChEMBL
70355,CC(=N)NC(=O)CC(=O)C(O)CO,1,GDB ChEMBL
115907,CC1=C(C(F)(F)F)CCC[NH+](C)C1,0,GDB ChEMBL
394865,CCNC(=[NH2+])C1CS(=O)(=O)[N-]C(=O)N1,0,GDB ChEMBL
196535,N#CCC(NC(=O)OC=N)C(=O)[O-],0,GDB ChEMBL
129819,O=CN1CC(=O)CC(CO)(CO)C1=O,1,GDB ChEMBL
130201,NC(=O)C(O)CC1COCC1=O,1,GDB ChEMBL
294467,CCC1CCCOCCC(C)(CC)O1,1,GDB ChEMBL
356552,C#CC1=CC(CCCCC)OC1,1,GDB ChEMBL
203572,C[NH+]1C2COC3CC(C2)C1C3O,0,GDB ChEMBL
277588,CC1C2OCC[NH+]1CC1CC2C1,0,GDB ChEMBL
254966,CC1=CCc2cc(C)nc3c2C1CC3,0,GDB ChEMBL
339109,O=C([O-])C1C[NH2+]C2C1CN1CC21,0,GDB ChEMBL
286985,CCC1(CCc2ccccc2I)CC=CC1,0,GDB ChEMBL
95926,CCC1CC2CC(OC)CCC(C1)N(C=[NH2+])C2,0,GDB ChEMBL
392253,CCCC1C2C(CO)[NH2+]C2CN1C,0,GDB ChEMBL
140410,CC1=CCc2cc(C)c(C#N)c(Br)c2C1,1,GDB ChEMBL
208556,COCC(C(C)[NH3+])C(O)C(N)=O,0,GDB ChEMBL
19628,Cc1nc(C(=O)CCn2cc(N)nc2O)co1,1,GDB ChEMBL
283268,CCC1CC(C)C(C(C)CC2CC2)C1,0,GDB ChEMBL
398731,CCCC1CC2=C(C1)C1CC2C2CCCC12,0,GDB ChEMBL
285553,CC12CS(=O)(=O)NC1C2OCCO,0,GDB ChEMBL
109212,C[NH2+]C1CC(=O)N(CCc2cn[nH]c2)C1=N,0,GDB ChEMBL
194253,C#CC1(C)C(=[NH2+])NC(CC[NH+](C)C)CC1[NH2+]C,0,GDB ChEMBL
196756,CC(C)C1COC1C(N)=O,1,GDB ChEMBL
268113,[NH3+]CC1OCOC(=O)C([NH3+])C1C(=O)[O-],0,GDB ChEMBL
328872,CC1(CC(=O)[O-])C=C(CN(C=O)C=O)CO1,0,GDB ChEMBL
172762,[NH3+]CC1CN1C1CCCOC(=O)C1O,0,GDB ChEMBL
263161,CCC(O)C([NH3+])CC1C(C)C(CC)CC1(C)C,0,GDB ChEMBL
278005,CCCCC1C(CC)C2CC(CC2(C)C)[NH+]1C,0,GDB ChEMBL
391479,CC(C)COC1CC=CC2(CCC(=O)C2)C1,1,GDB ChEMBL
34214,CNS(=O)(=O)CCC(O)C1C(N)C1C(N)=[NH2+],0,GDB ChEMBL
93107,CCCCC1CCCC(C)(CCC(C)(C)C)C1,1,GDB ChEMBL
289281,CC1C=C(C(C)C)CC([NH3+])C1,0,GDB ChEMBL
87072,CCC(CC[NH3+])[NH2+]C1CC(C)([NH3+])C(C)(OC)C1,0,GDB ChEMBL
157485,CCCC1=CC=CCOC(C(C)C)C1,1,GDB ChEMBL
391605,CCC1C(=O)C(C)OC(C2CC2)C=CC1O,0,GDB ChEMBL
121137,CC1=CCC(C2CC2)C2CC1CC2O,0,GDB ChEMBL
153252,C#CC1CC2CCN(CC1[NH3+])CC2C(C)[NH2+]C,0,GDB ChEMBL
136097,CC1CNC(=O)c2nc(O)c(N)n21,0,GDB ChEMBL
354137,CC1C=CCCC(c2cc[nH]c2)[NH+]1CCN,0,GDB ChEMBL
380616,NC(=[NH2+])NC1COC2CCC(C2O)C1(O)CO,0,GDB ChEMBL
359153,COC1OCC(CO)C1(O)C(=O)[O-],0,GDB ChEMBL
284871,Brc1ccc2c(c1)CCC21CC1,1,GDB ChEMBL
101049,C#CCC(C)(C)C(O)C1CC1,1,GDB ChEMBL
259498,NC(=O)C1C(O)CC(O)C1[NH3+],0,GDB ChEMBL
319832,CC#CC1CC(C)(C)C(OCC)C1C,0,GDB ChEMBL
225841,COc1cc(O)c(C(=N[O-])C(=O)CO)cn1,0,GDB ChEMBL
297242,CC[NH2+]CC(C)(CCO)C([NH3+])CCC#N,0,GDB ChEMBL
365733,CC12CC(CC3=CCCCC[NH+](C3)C1)C2,0,GDB ChEMBL
338842,CCN1C(=O)CC2=C1CCC(C)=C2,1,GDB ChEMBL
226223,CN(C)c1nc(N)sc1CN1CCCNC1=[NH2+],0,GDB ChEMBL
251475,C[NH+]1CCC1COCCS(=O)(=O)NC(=N)N,1,GDB ChEMBL
231147,CC1CCOCCNC(C=O)c2nc1no2,1,GDB ChEMBL
26359,[NH3+]CC1C=CC(O)CCC2CCCC12,0,GDB ChEMBL
261471,CCC(C)(CC)C[NH+](C)CCC1([NH3+])CC1C,0,GDB ChEMBL
234519,CC(C)C1CCC2(C)CC1C(C)(C)C2,1,GDB ChEMBL
206954,CCC[NH2+]C(C#CC1CC1)CC,0,GDB ChEMBL
70117,COCC1C(=O)C2(OC)CCC1C2,1,GDB ChEMBL
22525,CC1OC=NCCNC1c1ccsc1C(N)=O,0,GDB ChEMBL
4838,CC(C)Nc1cc(Br)ncn1,1,GDB ChEMBL
87030,C[NH+]=C(N)C(CCC#N)C(N)=O,0,GDB ChEMBL
22586,[NH3+]CCCC(=O)NCC[NH2+]CC1CO1,0,GDB ChEMBL
10571,CC([NH3+])(C#CCO)CC(=O)[O-],1,GDB ChEMBL
244298,C#CCC1CC([NH3+])(CO)CCCC1[NH3+],0,GDB ChEMBL
81518,CN(C)CC1OCC(=O)O1,1,GDB ChEMBL
99812,CCCC1C(CCO)C(C(C)O)C1(C)O,0,GDB ChEMBL
197206,CCCCC1C[NH+](C2CCC2)C1,0,GDB ChEMBL
190421,Cc1ccc(C(C)CC(C)CC(C)C)cc1Br,1,GDB ChEMBL
292192,CC[NH2+]C1C2OC(C)C1C(C[NH3+])C2NCCO,0,GDB ChEMBL
396098,CC1NC(=O)C[NH+]=C(N)CC1C=O,0,GDB ChEMBL
353528,CC12CC(O)(CCCCCC1C[NH3+])C2,0,GDB ChEMBL
354033,CCCC(C)(O)C#CCC1CC[NH2+]1,0,GDB ChEMBL
275658,CC[NH+](CCOC)C(C)C(C[NH3+])n1cncn1,0,GDB ChEMBL
190087,CCCC(CCC(O)CC(O)C#N)[NH2+]C,0,GDB ChEMBL
272526,Nc1cc(Cl)c(N)nc1C(=[NH2+])NCCC[NH3+],0,GDB ChEMBL
119415,CC1(C)CC2C([NH3+])C1C1CC[NH2+]CCCN21,0,GDB ChEMBL
227893,CCC(CO)C1C=CC[NH+]1C,1,GDB ChEMBL
291519,CNC(=[NH2+])c1cnn(C)c1C(=O)[O-],0,GDB ChEMBL
6074,OC1C2CC3CC2C(O)C1O3,1,GDB ChEMBL
319191,CCC1(O)C([NH2+]C)C1C(C)=O,0,GDB ChEMBL
335515,CCc1c(C)c(C)c(C)c2c(C)cccc12,1,GDB ChEMBL
88116,C=CCCC1=CC=C(CCC)C1=O,1,GDB ChEMBL
140822,CC[NH+]=C(N)N(C)C(C)(CC#N)CC1CC1,0,GDB ChEMBL
40268,OCc1nc(C2CC2)ccc1Br,1,GDB ChEMBL
277853,CCC1(OC)CC(C#N)C2(CC2)C(OC)C1,1,GDB ChEMBL
358898,CC(=O)Cc1ccc2c(n1)NC(C=O)CCN2,1,GDB ChEMBL
203752,C#CCOC(CC)CC1([NH2+]C)CC1,0,GDB ChEMBL
277680,CCC1[NH2+][C-](C=O)C(=O)C1O,0,GDB ChEMBL
76085,CCC1(C(F)(F)F)NCC(C)(C)C1CO,0,GDB ChEMBL
175578,C#CC1C[NH2+]C1CCO,0,GDB ChEMBL
340121,CCC1C[NH2+]C2COCCCC12,0,GDB ChEMBL
12729,N#CCN(CCO)CC(N)S(N)(=O)=O,0,GDB ChEMBL
257475,CCC(C)CC1(O)C(OC)C1C1CC1,0,GDB ChEMBL
230205,Nc1cc(F)cc2c1CCOC2,1,GDB ChEMBL
35328,C#CC1C[NH+](C)C(C)(C)CC(C[NH3+])C1C,0,GDB ChEMBL
244588,CC1CCC2CC(Cc3cccs3)C12,0,GDB ChEMBL
191519,CN(CCC1(C)CC1)C(N)=[NH2+],0,GDB ChEMBL
223518,CC(=O)NC1CCC2(NC2C=O)C1O,0,GDB ChEMBL
149441,CNC=[NH+]C1(c2ccc(C)cc2)CC1,0,GDB ChEMBL
40921,[NH3+]C1CCOC2(C([NH3+])C2C(=O)[O-])C1O,0,GDB ChEMBL
174259,CC(O)CC1(C#N)CCN1,1,GDB ChEMBL
367650,CN(C(N)=[NH2+])C(C(=O)[O-])C(CO)[NH+]=CN,0,GDB ChEMBL
119989,CCC1C(CC)C1(C)CCCO,0,GDB ChEMBL
254913,CC(O)C1(CNC(N)=[NH2+])CN1C,0,GDB ChEMBL
40926,CN1C(=O)C2C=CC([NH3+])C(C1CO)C2(C)C,0,GDB ChEMBL
180993,C[NH2+]C(C)C(O)(COC)C1COCC1C,0,GDB ChEMBL
210408,CC1CC([NH3+])C(O)C(O)(CO)C1(N)C#N,0,GDB ChEMBL
338866,O=C([O-])CCCN=c1cc[nH]c(=O)cc1,0,GDB ChEMBL
136450,CNC(=O)C([NH3+])CC(=N)OC(=O)c1cnc[nH]1,0,GDB ChEMBL
391662,COCC1=C(C(=O)[O-])CS(=O)(=O)C1,0,GDB ChEMBL
151688,Cc1nc(C(C)C#N)no1,1,GDB ChEMBL
380267,CC1CCCC2(C#CC([NH3+])C1O)CO2,0,GDB ChEMBL
273818,CC[NH+](C)C1CC2C(C)=CC1(C)C2C(C)C,0,GDB ChEMBL
383727,CNC(=O)N(C(=N)N)C(=O)C(N)=O,1,GDB ChEMBL
164645,C[NH2+]C1C(O)C2CNC(C=O)CC(O)C1O2,0,GDB ChEMBL
37616,Cc1cc(F)c(CC(C)(C)[NH3+])c(F)c1C(C)C,0,GDB ChEMBL
114410,OC1CC=Cc2c3c(cc(F)c21)CCN3,1,GDB ChEMBL
195420,CC1[NH2+]CCCC2CCCC3CC3C21,0,GDB ChEMBL
353534,CC1NC(=O)COCC2[NH2+]CC12,0,GDB ChEMBL
228832,CC1COC=NC(CC(O)C[NH3+])C(=O)NC1=O,0,GDB ChEMBL
138412,OCCC1CNC=[NH+]C1CO,0,GDB ChEMBL
107825,CC(O)CC(O)CC(C)O,1,GDB ChEMBL
31409,CCCC(C)CC1C=C(C)CCC(=O)C[NH2+]1,0,GDB ChEMBL
134482,C[NH+]1CC(C2CC([NH3+])C2)C1,0,GDB ChEMBL
191324,CC(C)CCN(C)C(C)C#N,1,GDB ChEMBL
388258,COC(CO)C1CC(CCO)O1,1,GDB ChEMBL
257976,CC#CC[NH+](C)C1CCC1O,0,GDB ChEMBL
345480,CC1(C)C2C=CCC1CCCCCC2,0,GDB ChEMBL
11714,CC1C[NH+]=CNC(CCO)CN1,0,GDB ChEMBL
384843,COC1CC(C)C2(C#N)NS(=O)(=O)CC12,0,GDB ChEMBL
382552,CC1(C)Cc2ccc(Cl)c(CO)c2CCC1O,1,GDB ChEMBL
384247,CC(N)C(=O)N(C(=O)NC(=N)N)c1cnoc1,1,GDB ChEMBL
210251,N#CC1CC(C(=O)[O-])NC(N)=N1,0,GDB ChEMBL
41176,C#CC1NCC2C(CC)C2C(=O)C1O,0,GDB ChEMBL
143152,[NH3+]C1COC2CC2CC1O,0,GDB ChEMBL
186684,C#CCCC(C)(C)c1ccc(=O)nc(O)c1,0,GDB ChEMBL
356530,COCC(C)C1CC(=O)CC(C)C(C)C1O,0,GDB ChEMBL
21505,CCC(C)C1C2C=CCC1CC(C)(C)C2,1,GDB ChEMBL
181020,CC1CC2C(O)C3CC2(C[NH2+]3)C1,0,GDB ChEMBL
92287,CC1NC(C(=O)C(=O)[O-])COC1(C)C(=O)CO,0,GDB ChEMBL
203112,N#CC1C(C(=O)[O-])CNC(=[NH2+])C2CCC([NH3+])C21,0,GDB ChEMBL
355377,C#CCC(C)(C)C1CCC2CC(C)CC1[NH+]2C,0,GDB ChEMBL
215436,CC(CC[NH3+])C1CC2(C)CC(=O)OC1(C)C2[NH3+],0,GDB ChEMBL
197231,C#CCC(C[NH+](C)C)CC1(C)CC1CC,0,GDB ChEMBL
130396,C#CCC1C2CCC1C(C)(C)CC2CCCC,0,GDB ChEMBL
186022,C[NH2+]C1C=CC(OC(N)=O)C1,0,GDB ChEMBL
334329,CC1C2CC[NH2+]C1C(CC(N)=O)O2,0,GDB ChEMBL
390135,CCc1cc(C[NH3+])c2cc[nH]c2c1I,0,GDB ChEMBL
348660,O=C1CCCC2CN=C(C3CN3)OCCN12,0,GDB ChEMBL
228398,O=CC1CC2CC1[NH2+]CCO2,0,GDB ChEMBL
197462,CCC1C(C(C)C)C2(C)CC1(C)CC2CC#N,0,GDB ChEMBL
339115,CC(=O)N(C)C(=O)C1NC(C)C(O)C1=NO,0,GDB ChEMBL
304380,CCN(CCC(C)C)c1c(N)nn(CC)c1O,1,GDB ChEMBL
166451,C#CC1(O)CNC(CC(F)(F)F)C([NH3+])C1,0,GDB ChEMBL
240398,O=C1CC=CCCC(=O)OC1,1,GDB ChEMBL
203191,O=C([O-])CC[N-]S(=O)(=O)C(=O)C1CC[NH2+]1,0,GDB ChEMBL
31377,CN=C1N(CC(=O)[O-])CC1(C=O)C(=O)NC,0,GDB ChEMBL
186567,CCCOc1c(I)[nH]c(=O)c2c1NCC([NH3+])C2,0,GDB ChEMBL
317706,C#CC(C#C)[NH2+]C(C)(C)C1CCCCC1CC,0,GDB ChEMBL
266456,COC(Cc1csc(C)c1)CC(C)(C)O,1,GDB ChEMBL
118833,NC(=[NH2+])CC(CS(N)(=O)=O)NCC=O,0,GDB ChEMBL
284411,CCN1C(=N)CS(=O)(=O)[N-]C1=O,0,GDB ChEMBL
184890,C#CC(C)C(=O)C(O)C1CC2CCC1C(=O)N2,0,GDB ChEMBL
177260,CCC([NH3+])CNC(=O)CC(=N)OC(N)=O,0,GDB ChEMBL
136711,CCC(C#N)(CO)C1(C)C(=N)NC(=O)C1C[NH3+],0,GDB ChEMBL
369884,C#CCOCC(O)C(CC(C)C)N(C)C=[NH+]C,0,GDB ChEMBL
194523,C#CC1C(CC)CCC12CCCCC2,1,GDB ChEMBL
188080,CC1CC(CC2CC2)C12CC[NH2+]CC2,0,GDB ChEMBL
152626,O=C1CCCCc2[nH]ccnc(O)ncc2N1,0,GDB ChEMBL
181012,CCOC(C)C1CC(=O)C2CC21,1,GDB ChEMBL
122696,C#CCC(C)c1cccc(CCCCC)c1,1,GDB ChEMBL
300165,CNC(=O)CN1C(=O)NC(=O)C12C[NH2+]C2,0,GDB ChEMBL
114759,CCC1COC(c2cn(C)[cH-]c2=O)C1,0,GDB ChEMBL
55519,[NH3+]C1COCC[NH+]2CC(C1O)C1CC12,0,GDB ChEMBL
22063,C#CC1C2CCC=CC12CCCCC,0,GDB ChEMBL
251075,CC1NC(=O)C(=O)NCC1[NH3+],0,GDB ChEMBL
222832,CC1C2(C#N)CC(O)C1(C)C(=O)[N-]2,0,GDB ChEMBL
253609,CC1CCC([NH3+])C(O)C2CCC12,0,GDB ChEMBL
372159,CCC(NC(=O)C([NH3+])CO)C(=O)[O-],1,GDB ChEMBL
60609,O=C1OC2C(O)C[NH2+]C2C1Nc1ccsc1,0,GDB ChEMBL
319161,CC1C=C2CC(C)CCCC(C)C2C1,0,GDB ChEMBL
161770,COC1(C)CC=C(C)C1=O,1,GDB ChEMBL
353522,NC=[NH+]c1ccnc(N)c1,0,GDB ChEMBL
127641,C=C(CCO)C(C)C=CCCOC,0,GDB ChEMBL
86999,C[NH2+]C(C)C1CC(CO)=CC1(C)C=O,0,GDB ChEMBL
280498,Cc1ccc(C2C=CC(C(C)(C)C)C2)s1,1,GDB ChEMBL
126646,CC1C2C=CC=Cc3ccc(c(F)c3)CC12,1,GDB ChEMBL
374914,CS(=O)(=O)[N-]C(=O)c1cn[nH]c1,0,GDB ChEMBL
392715,CC12C[NH2+]C3C1CC(CCO)CC32,0,GDB ChEMBL
306334,CC1CCCC(C(C)C(C)(C)C[NH3+])C1C,0,GDB ChEMBL
2354,CCC1CC2CCC1CCC[NH2+]C2,0,GDB ChEMBL
192553,CNC(=O)C(C(O)CNC(N)=O)C(O)C(C)[NH3+],0,GDB ChEMBL
33514,CCC1C2CCC(C)=CC2C1C[NH2+]C,0,GDB ChEMBL
132521,CCN1C=CC(N2CC([NH3+])C2)C1=O,0,GDB ChEMBL
97727,CC(=O)NC1=CC(CN)[NH2+]CC(O)C1,0,GDB ChEMBL
308302,CCC1CN(S(=O)(=O)OCC(O)CCO)C1,0,GDB ChEMBL
77385,CC1CC(O)CC(=O)CN1,1,GDB ChEMBL
233484,Cc1cc(OC=N)nc(N)n1,1,GDB ChEMBL
38878,CC(=O)NC(C(N)=O)C(N)C(N)=O,1,GDB ChEMBL
147220,C[NH2+]CC1(CO)COCC(C(N)=[NH2+])C1,0,GDB ChEMBL
334380,C[NH2+]CCC1(C)CCC2OC2CC1O,0,GDB ChEMBL
262586,CC(C)C1NC(=[NH2+])CNC1=O,0,GDB ChEMBL
361180,CCC1CC(C(F)(F)F)C(CC)CC1C(C)C,0,GDB ChEMBL
350670,C[NH2+]C1CCN(C2CNCC[NH2+]C2)C1,0,GDB ChEMBL
284728,CCC1CCCC2C=C(C1)C(CC)C2,0,GDB ChEMBL
83538,CCC1[NH2+]CC=CCC1C(C#N)C=O,0,GDB ChEMBL
13867,CCCC(CO)CC(C)CC,1,GDB ChEMBL
276293,CC1C(O)C[NH+]2CC([NH3+])CCC12,0,GDB ChEMBL
78313,CCC(C)C1NC(=O)CC2C(C1C)C2(C)O,0,GDB ChEMBL
312879,CC1CCC2C3CC3C(C)C[NH+]2C1,0,GDB ChEMBL
13803,CNc1cc(C#N)c2cn(C)c(CO)c2c1F,1,GDB ChEMBL
286101,CC1CCC([NH3+])CC1C1OCC1O,0,GDB ChEMBL
143788,C[NH+]1C2C[NH2+]CC2C2C3CCCCC(C3)C21,0,GDB ChEMBL
362176,C#CC1(C)CCC(C)CC(C)CCCC1[NH2+]C,0,GDB ChEMBL
77257,CC(NS(=O)(=O)CC(N)=O)C(O)C[NH3+],0,GDB ChEMBL
194536,CCC(C)C([NH2+]C(C)C)C1CC1CC=O,0,GDB ChEMBL
24482,[NH3+]CCCCC12CCCOCC1CC2,0,GDB ChEMBL
280280,CC12C3C[NH+]4CCCOC(C(=O)C31)C42,0,GDB ChEMBL
195495,C[NH2+]CC1Cn2nccc2N1,0,GDB ChEMBL
24471,CCC[NH+](C)C1C2CC(O)C3CCCCC321,0,GDB ChEMBL
323299,O=C([O-])C1CCC2[NH2+]C3CC3C21,0,GDB ChEMBL
77393,N#CC12C(CCO)NC(=O)C1N2C(N)=[NH2+],0,GDB ChEMBL
77554,NC(=O)CCC1[NH2+]CC(C(=O)[O-])=C1N,0,GDB ChEMBL
172364,CCN=c1c(NCCO)nn(C)cc(N)c1=O,0,GDB ChEMBL
376699,CCC1CCC2CC1C(C)C(C)O2,0,GDB ChEMBL
162919,CCCC12CC1C(O)CO2,0,GDB ChEMBL
118381,Brc1ccc2c(c1)C1CCCCC3C2N13,0,GDB ChEMBL
334754,Cc1c(NC=O)n[nH]c1C1CCCC1,1,GDB ChEMBL
61549,C#CC12Cc3cc(Br)cc(O)c3C(=N)N1C2,0,GDB ChEMBL
236613,NC1=NC2C3CC(O1)(C(=O)N3)C2O,0,GDB ChEMBL
78329,CC12OCC1(O)C(NS(C)(=O)=O)C(O)C2C[NH3+],0,GDB ChEMBL
107655,COc1c(Br)cc(C)cc1C(C(C)C)C(C)C,1,GDB ChEMBL
379414,CC(C)CCCNc1cnsc1C[NH3+],0,GDB ChEMBL
334365,COC(C)(C(N)=O)C([NH3+])C1OCOC1C(=O)[O-],0,GDB ChEMBL
339283,CC(Cc1ccoc1)N1CC1C,1,GDB ChEMBL
208584,C=C1CCC2CC1CC2(C)C(C)C,0,GDB ChEMBL
246806,CC1C2CC3OC3C1NC(=O)C[NH2+]2,0,GDB ChEMBL
196736,C[NH2+]C1CCC2(O)CC2CC1O,0,GDB ChEMBL
230749,CC(=O)Oc1c[nH]c2cc(C)[nH+]cc12,0,GDB ChEMBL
362203,C#CC1(C[NH2+]C(C)C)CC(CC)=CCO1,0,GDB ChEMBL
366621,[NH3+]C12CCc3ccccc3OC1C2,0,GDB ChEMBL
311349,CCC(O)C1C(C)CCNC(=O)C1[NH3+],0,GDB ChEMBL
34936,CCCC12CC([NH3+])C(C(=O)[O-])(CC[NH+]=CN1)C2,0,GDB ChEMBL
204167,[NH3+]CCCOc1cnoc1,1,GDB ChEMBL
398164,COCC1(C([NH3+])C(C)O)CC(O)(C[NH3+])C(N)=N1,0,GDB ChEMBL
200992,CC1(CC2CC=CCCC2)CCCC1,1,GDB ChEMBL
119636,CC1OC2CC2(NC(N)=[NH2+])C(=O)NC1=O,0,GDB ChEMBL
171347,CN1C2C[NH2+]CC2CCC12CC2,0,GDB ChEMBL
44329,CC(=O)OC12CC1NC(=O)C2C(C)[NH3+],0,GDB ChEMBL
304427,COC(C)(C)c1c(Cl)cc(CO)cc1C(C)C,1,GDB ChEMBL
376977,C=C1C(CCC)=CCC1CCCC,1,GDB ChEMBL
7394,CCNC(=O)C(CC)[NH2+]C,1,GDB ChEMBL
272550,[NH3+]C1CC1C(=O)NC(=O)c1csnn1,1,GDB ChEMBL
203336,C[NH+]1C2CC(C)(C2=NO)C1C(=O)[O-],0,GDB ChEMBL
288650,NC(=[NH2+])CCCc1n[nH]cc1C(=O)[O-],0,GDB ChEMBL
87653,CC#Cc1c(C(C)(C)C)cc(C)c(F)c1O,1,GDB ChEMBL
97077,COCC(NC(=O)c1cc[nH]c(=O)n1)C(N)=O,1,GDB ChEMBL
386482,C#CC1=CCC(CC2CCCC2)C1,1,GDB ChEMBL
249556,COC(C)C[NH+]1CC(C(C)C)C1CCO,0,GDB ChEMBL
398791,CC1C(=O)C=CC(=O)OCC1C1CCCC1,0,GDB ChEMBL
387203,CCC(CC)[NH2+]CC(N)COC,0,GDB ChEMBL
177062,NC(=O)C1NCC(=O)NC(=O)C1O,1,GDB ChEMBL
102313,C[NH2+]C1C(C(C)O)N(C)C1C(O)C(=O)[O-],0,GDB ChEMBL
18933,NC1C(=O)OCC1OCCS(N)(=O)=O,1,GDB ChEMBL
275567,COCC(C)Nc1ncc(C#N)[n-]c(=O)c1=O,0,GDB ChEMBL
186043,C#CC(CC#N)N1CCC1CO,1,GDB ChEMBL
193788,CC[NH+]1CCCCC(C)C23CCCOC2C13,0,GDB ChEMBL
277554,CC1c2cc(Cl)ccc2C2CCC[NH2+]C12,0,GDB ChEMBL
29928,COCC1C2(C)CCC1(C)C(C)C2,0,GDB ChEMBL
276309,C#CCC(CC#C)C(C=C)C(C)C,0,GDB ChEMBL
40343,CC1C2NC(=O)NC3CC(C12)C(C)(C)C3,0,GDB ChEMBL
182511,CCC1CC2C3(C)CCCC(O3)C2(C)C1,0,GDB ChEMBL
120413,Ic1cc(I)c(CCN2CC3CC3C2)cn1,1,GDB ChEMBL
214756,CC(=O)OCC1(C[NH3+])OC1S(N)(=O)=O,0,GDB ChEMBL
348647,CC([NH2+]C1C(C)CC2CC1OC=N2)C(N)=O,0,GDB ChEMBL
175879,C[NH2+]C1C2C(C)OCC2C(C)CC1(C)C,0,GDB ChEMBL
40051,Cn1nc(N)nc(C2CNC(=O)O2)c1=O,1,GDB ChEMBL
288698,CC1(C#N)C(=O)NCC1C(=O)C[NH+]=C(N)N,0,GDB ChEMBL
95219,CC([NH3+])C(C#N)C(NC(C[NH3+])C[NH3+])C(C)(C)O,0,GDB ChEMBL
202786,Cn1nnc(S(C)(=O)=O)c1CC(=O)[O-],0,GDB ChEMBL
157042,C[NH2+]CCC(C)(C)CC1=CCC2(CCC2)C1,0,GDB ChEMBL
266438,[NH2+]=CNC(CO)CN1CCNCC1=O,0,GDB ChEMBL
316489,CC1OC(N)=[NH+]C2CCS(=O)(=O)NC21,0,GDB ChEMBL
292271,CC[NH2+]Cc1scc(CC([NH3+])CO)c1N,0,GDB ChEMBL
309641,CCCC1(C)CCC[NH+](C)CC(CC)C(C)C1,0,GDB ChEMBL
173900,Nc1cc(F)cc2c1C1CC2(C[NH3+])C1,0,GDB ChEMBL
55543,COC1(C(F)(F)F)COC(=O)C=C1C,0,GDB ChEMBL
44333,CNc1cc(C)c2[nH]c(=O)sc2c1N,1,GDB ChEMBL
122837,Cc1ccc(C2CC2(C)C)cc1,1,GDB ChEMBL
315220,CC(C)CC1C=CCC[NH2+]1,0,GDB ChEMBL
165954,C#CC(C)c1cnc(Cl)cc1Cl,1,GDB ChEMBL
323941,C=CCC(=O)N(C=O)CCS(N)(=O)=O,1,GDB ChEMBL
236546,CC(=O)CC1CC(NC=O)C1,1,GDB ChEMBL
389399,CCOC1(C)CC(C[NH2+]C)C1NC(C)=O,0,GDB ChEMBL
238007,C[NH+]=C(CC(C)C)N1CC=CC1,0,GDB ChEMBL
372771,CCCCC1(C(=O)CO)CCC1=NO,0,GDB ChEMBL
129556,CN1C(=O)CC2OCC(=O)C21,1,GDB ChEMBL
208245,CC(CC([NH3+])(CO)C(O)(CN)C(N)=O)C(N)=O,0,GDB ChEMBL
123051,CCOC1CC(CO)C([NH3+])C1O,0,GDB ChEMBL
300153,Cc1ncsc1C1C[NH+]=C(NC(C)(C)C)N1,0,GDB ChEMBL
277661,Cc1nc(N)c2cc(CCCC[NH3+])cc-2s1,0,GDB ChEMBL
217355,CCCCC1CC2CC=C(CC)C2C12CC2,0,GDB ChEMBL
354417,CC1=CC(C)(C(C)C)[NH2+]CC1,0,GDB ChEMBL
48187,CCCC(C)Nc1c(C#N)sc(=O)n1C,1,GDB ChEMBL
288624,C#CCC1CC2C(OCC)CC(C)[NH+](C)C2C1,0,GDB ChEMBL
398896,CCC1CCCC=CC(CC2CC2)C1,0,GDB ChEMBL
246980,CCc1ccc(C)c(CC(C)C)c(=[NH2+])c1C[NH3+],0,GDB ChEMBL
177169,CCNC(=O)N1CCCC(=O)NC1=N,1,GDB ChEMBL
215365,C[NH2+]C1C2CC(C)C(O2)C1OC,0,GDB ChEMBL
87704,CCc1ccc(Cl)nc1C1CCCCC1,1,GDB ChEMBL
322959,CC(N)(C(=O)N1CCNC1=O)C(O)C#N,1,GDB ChEMBL
278187,CCC1C[NH2+]C2CC1CC2CC1CCCC1,0,GDB ChEMBL
204367,CCCC1(C)C([NH3+])C(C)C(C)C1CC,0,GDB ChEMBL
147586,CCN1C=[NH+]C2C1C2(NC)C(=O)NCC[NH3+],0,GDB ChEMBL
92275,CCC(CC)n1ccnc1C(C)(C#N)CC,1,GDB ChEMBL
217700,CNc1cc(O)nc(C=O)c1C,1,GDB ChEMBL
370256,N#CC12CCCCN1CCNC2,1,GDB ChEMBL
130492,C#CC(CCCC)Nc1nc(CC(C)C)n[nH]1,1,GDB ChEMBL
349662,CNC(=O)CNCC(N)S(N)(=O)=O,0,GDB ChEMBL
71269,COCC(O)C(C#N)N1CC2CCCC(C1)[NH2+]2,0,GDB ChEMBL
278190,CC1(C([NH3+])CO)COC2CC21,0,GDB ChEMBL
129454,Cn1c(CO)c(C(N)=[NH2+])c2c1COC2=O,0,GDB ChEMBL
160392,C#CC1C2CCCC[NH+](C)C(C)C12,0,GDB ChEMBL
358930,CC1CC(CC[NH3+])NC(C2CCCCC2)=[NH+]1,0,GDB ChEMBL
336063,COc1ccncc1Br,1,GDB ChEMBL
127467,C=CC1CC2C=CC[NH+](CC)C2C1,0,GDB ChEMBL
207729,CCCCCC[NH2+]CCC,0,GDB ChEMBL
260553,CC(CC1CCN(C)C=[NH+]C1)NC(N)=O,0,GDB ChEMBL
282257,Cc1cc(F)c(C)nc1C(C)[NH2+]CCCO,0,GDB ChEMBL
216592,CC(CC1=CCCC1)C1CCCC1,1,GDB ChEMBL
58994,CNC(=O)C[NH2+]C1C=C(C)CC1,0,GDB ChEMBL
257492,CC(=O)Cc1cc2c(c(N)[nH+]1)CCO2,0,GDB ChEMBL
385945,C#CCc1c(F)cc2c(c1NC)CCCCC2,1,GDB ChEMBL
166427,CCCc1nc(CO)c2ccccn12,1,GDB ChEMBL
246420,CCC(C)S(=O)(=O)CNCC1CCC(=O)N1,0,GDB ChEMBL
258202,CC1C([NH3+])C1(OCC[NH3+])C(=O)[O-],0,GDB ChEMBL
257458,C=CC1=CCC2(C)CC(OC)CC12,0,GDB ChEMBL
143137,C=C1CC(=CCC[NH2+]CC)CC1C,0,GDB ChEMBL
273816,COCC1CC(=O)C=CNCC1CO,0,GDB ChEMBL
240401,C#CC(=CCC)c1ccc(Br)cc1,1,GDB ChEMBL
318144,CCCC(CO)C1(C(=O)[O-])C[NH+]=CN1,0,GDB ChEMBL
280811,CCC(NCCO)C(=O)OC,1,GDB ChEMBL
308198,CCCC(C)(C)c1ccc2cncc(C)c2c1,1,GDB ChEMBL
389044,CCS(=O)(=O)CN1C(=N)N(C(N)=O)CC1C,1,GDB ChEMBL
242954,CCOCC1NC(=O)OC1=NC,1,GDB ChEMBL
302468,COC1C(=O)NC23CCOC(=O)C2C13,0,GDB ChEMBL
232085,CCC1OCC(C)C1O,1,GDB ChEMBL
375541,OCC1C2C3CCC(C3)OCCN12,0,GDB ChEMBL
234225,NS(=O)(=O)c1n[nH]cc1OCC[NH3+],0,GDB ChEMBL
306323,CCC1CCOC(C=O)(CO)C1,0,GDB ChEMBL
252563,C#CCC(C)c1c(C)ccc(OC)c1Cl,1,GDB ChEMBL
129791,Cc1ccc(CC2C(C)C2C)c(F)c1F,1,GDB ChEMBL
217383,CCOC1CCCCC(=NO)C1,0,GDB ChEMBL
53708,CN1C(=O)C2OC2(C)C2C(CC[NH3+])C21,0,GDB ChEMBL
45008,CC(C)CC(C(C)O)C(C)O,1,GDB ChEMBL
358189,C#CCC[NH+](C)CC(O)(CC(C)C)C(F)(F)F,0,GDB ChEMBL
173751,CCCOc1cc(C(F)(F)F)c(C(N)C#N)[nH]1,0,GDB ChEMBL
341906,CCCOCC(C)Nc1cc[nH+]c(CC)c1Cl,0,GDB ChEMBL
8734,CCC([NH3+])C(C)C1C2C[NH2+]CC21,0,GDB ChEMBL
61833,C#CC1C2c3ccc(F)cc3C1C1CC12,0,GDB ChEMBL
137433,CC1NC(=O)CNS(=O)(=O)C2(CC(=O)[O-])NC12,0,GDB ChEMBL
110257,COCC(CNC=O)(COC(C)=O)C(C)C,1,GDB ChEMBL
135443,CC[NH2+]C12CC([NH3+])CC(C1)C(C)CC2(C)O,0,GDB ChEMBL
281674,CC1CC[NH+]2CCC(C)C(CC[NH2+]1)C2,0,GDB ChEMBL
79605,CCCCC1CC=CC12NC2C[NH3+],0,GDB ChEMBL
182519,CC1(Cc2cccc(I)c2)CC1,1,GDB ChEMBL
177155,O=C1CNC2CC(O)C1C2,1,GDB ChEMBL
223523,COCC(O)C[NH2+]CCCC(C)C,0,GDB ChEMBL
326463,CCC1(C)CC([NH3+])C(C2CCC[NH+]2C)C1,0,GDB ChEMBL
340144,CCC[NH+]1CC(C(N)=O)C1C(C)C(C)=O,0,GDB ChEMBL
150553,Cc1cc(C2=CC(C)C(O)C2(C)C)n(C)n1,0,GDB ChEMBL
341908,O=C1COc2ncccc21,1,GDB ChEMBL
343222,C#CCCC(CC)C(C)C(C(C)C)[NH+](C)CC,0,GDB ChEMBL
217042,OCCC1CC2CCC[NH+]12,0,GDB ChEMBL
118410,C=CCC(C)(O)C1C(=C)CCC1[NH3+],0,GDB ChEMBL
349452,NC(=O)CC1C(O)CNS(=O)(=O)C1O,0,GDB ChEMBL
259550,NC(=O)N1C(=O)C(N)CC1C(O)CO,0,GDB ChEMBL
189987,CCCOC1C(C)C2[NH2+]C1(C)CC2CC,0,GDB ChEMBL
26416,CC1CC2OC1CC2C([NH3+])CN,0,GDB ChEMBL
160320,CC1N=C(NC(=O)CCO)OCC1[NH+]=C(N)N,0,GDB ChEMBL
248903,CC(O)C[NH2+]CCCC=O,1,GDB ChEMBL
116372,CC(C)Cc1nocc1C=CC#N,1,GDB ChEMBL
17540,C#CC1CC2C[NH+](CCC)C1C1CCCC21C,0,GDB ChEMBL
137074,COCC(C=O)NC(=O)C(N)=O,1,GDB ChEMBL
6144,NC1=NCC2CC(C(O)C(=O)N2)S(=O)(=O)N1,0,GDB ChEMBL
84202,CCCC(=[NH2+])N1C2COCC21,0,GDB ChEMBL
392300,CC1C2NC(=O)C34CC2C(O)C3C14,0,GDB ChEMBL
103469,C#CCC(CC#C)CC1(CC)CCC(C)C1=O,1,GDB ChEMBL
112644,CCC1(O)C[NH+](C)CC12CC2C,0,GDB ChEMBL
391322,CCCCCC1=C(C(N)=O)CCCCC1C,0,GDB ChEMBL
179344,C[NH2+]C1CCC(C[NH3+])C1CS(N)(=O)=O,0,GDB ChEMBL
68522,CCC(c1cccc(Cl)c1)C1C2COC1C2,0,GDB ChEMBL
356848,O=C1CCNC2C(=O)OC2CO1,1,GDB ChEMBL
176454,C#CC1C(CC)CCC2[NH+](CCC)CCC12C,0,GDB ChEMBL
124881,COC1C(O)C([NH3+])(C(=O)[O-])C1NC(N)=O,0,GDB ChEMBL
305260,CC(C1CC1N1C(=O)CNC1=O)S(C)(=O)=O,0,GDB ChEMBL
81487,C#Cc1cc(CCC)nn1C(CO)CC(N)=[NH2+],0,GDB ChEMBL
123045,C#CCC1CCCCCCC1C,1,GDB ChEMBL
271362,CCC12C=CC(CC1C[NH3+])N(C)C2=O,0,GDB ChEMBL
225372,CC1=C(C#N)C(=O)N(C)CC1[NH3+],0,GDB ChEMBL
225175,CCCC(C)CC1C2CCCC1C2,1,GDB ChEMBL
398817,C=Cc1cccc2c1CCCC=C2,1,GDB ChEMBL
277447,C[NH2+]CC(C)(C)C1CCCC12C[NH2+]C2,0,GDB ChEMBL
338119,CC#Cc1scnc1CNCCOC(N)=O,1,GDB ChEMBL
208295,C[NH2+]CC(C)NC(C)COCC(=N)NC=O,0,GDB ChEMBL
177247,CC1=C(CC(O)C#N)CNC(=O)N1C,0,GDB ChEMBL
177310,C#CC(CO)C(=CC)CCCC[NH3+],0,GDB ChEMBL
392255,CCCC1CC(=O)NC(C)CCC1=O,1,GDB ChEMBL
163430,C[NH2+]CC(c1nc(C)no1)C(C)(C)[NH+]=C(N)N,0,GDB ChEMBL
246985,N#CC(=O)CNCCC(N)=O,1,GDB ChEMBL
127167,O=COCCN1C(=O)NC2CC1C2,0,GDB ChEMBL
54072,C#CC1CN(C)C(=O)COC1c1cc[nH]c1,0,GDB ChEMBL
225200,CC1CC(O)C2OCC1(C)[NH2+]CC(N)CC2O,0,GDB ChEMBL
308160,N=c1ncc(C(=O)[O-])c(N)nc1[O-],0,GDB ChEMBL
231138,CC1(C(O)C(N)=[NH2+])COC(=O)N1,0,GDB ChEMBL
20502,C[NH2+]C1CC(=O)C(O)C(CO)C1,0,GDB ChEMBL
40254,Cn1c(C(N)c2nccs2)ccc([O-])c1=O,0,GDB ChEMBL
272534,CC1OCCCCCCC1(C)CCC(C)(C)C,1,GDB ChEMBL
215433,NS(=O)(=O)C(O)C(CO)C(O)CCC[NH3+],0,GDB ChEMBL
151200,C[NH2+]C(C)C(CO)C1CN1C=O,0,GDB ChEMBL
271089,C#CCOc1ccccc1,1,GDB ChEMBL
386667,C[NH2+]C1C2COC1C1(C)CCC([NH3+])C21,0,GDB ChEMBL
65567,CCCN1CCC(C)(C)OC(C)CCC1C#N,0,GDB ChEMBL
370248,COC1C(=O)CC(CO)C1(C)C,1,GDB ChEMBL
24057,CC(O)C1CCCC1CC#N,1,GDB ChEMBL
263462,N=C(N)N1C(=O)[N-]C(C2CO2)C1=O,0,GDB ChEMBL
157510,Oc1ccc(Br)c(COc2ccccc2Br)c1,1,GDB ChEMBL
292944,[NH3+]CCOCCC1CC2([NH3+])CCCC2(CO)C1,0,GDB ChEMBL
387091,NC(=[NH2+])NC1C(N)C(=O)OC1C(N)=O,0,GDB ChEMBL
149302,CC(C)[NH2+]C1(CC[NH3+])CC1C,0,GDB ChEMBL
129412,Cc1c(Br)c(C(=O)CCO)nn(C)c1=O,1,GDB ChEMBL
71297,O=C1NC(=O)C2NS(=O)(=O)CCC2N1,0,GDB ChEMBL
389435,C[NH+]1CCC=C2CCC=CCC2CC1,0,GDB ChEMBL
358410,COC1(CO)C(=O)[N-]S(=O)(=O)C2C(C[NH3+])C21,0,GDB ChEMBL
265479,CC(C[NH3+])(NC(N)=O)C(=O)[O-],1,GDB ChEMBL
228884,OCC1CCC2CC[NH+]1C2,0,GDB ChEMBL
38217,CCC1CC2(CC2)CC(C2CCCC2)C1C,1,GDB ChEMBL
23610,C[NH+]1Cc2csc(c2)C([NH3+])C2(O)CC(C1)C2,0,GDB ChEMBL
345510,[NH3+]C1C2NC(=O)C1C(O)COC2=O,0,GDB ChEMBL
260711,CCOC(=O)[N-]C(C#N)(C#N)C#N,0,GDB ChEMBL
17041,NC1C(=O)OC2C([NH3+])C(O)CC12,0,GDB ChEMBL
380234,CC(C)C(C)(CC[NH3+])C1CNCC(=N)O1,0,GDB ChEMBL
190005,CC[NH+]1CC=CC2NC2CC1COC,0,GDB ChEMBL
185957,CCC1CCC([NH+]2CCCC3(C)CC23)C1C,0,GDB ChEMBL
181514,CC[NH+](C)C(C)(C)C(C)(C)COC,0,GDB ChEMBL
292319,O=C([O-])C1C2CCC([NH2+]2)C2COC21,0,GDB ChEMBL
39912,C#CC1CC2C(CC)CCC(C)(C(C)C)C2C1,0,GDB ChEMBL
255532,C#CC(N)(C[NH3+])C(=O)NC(=N)NCC(C)[NH3+],0,GDB ChEMBL
216525,O=C1CC(n2cnnc2)C2CC2N1,0,GDB ChEMBL
273988,CCCCC1(C)CC2CC3C1N3C2,0,GDB ChEMBL
189872,C#CC1CC2(CC)CC(CCCC2C)[NH2+]1,0,GDB ChEMBL
304046,CCCCOc1nc(C)c[nH]1,1,GDB ChEMBL
276052,CN(C)CCNC(=O)c1nnc([O-])nn1,0,GDB ChEMBL
79543,CC[NH+](C)CC1CCC(CCCCC(C)C)C1,0,GDB ChEMBL
307958,CCc1cc(NC)cn1C(C)C(F)(F)F,1,GDB ChEMBL
210706,CCCC1=CC(C(C)C[NH2+]CC)CC1,0,GDB ChEMBL
304038,CC#CC1C2CCC1OCC[NH2+]2,0,GDB ChEMBL
264014,[NH3+]CCC1CC2OCC(O2)C1[NH3+],0,GDB ChEMBL
54120,CCC1(CCO)CC=CC1,1,GDB ChEMBL
227644,CC(C[NH3+])CCCC(C)(O)C(C)[NH3+],0,GDB ChEMBL
148528,CCN=C(Nc1ncns1)C(C)C(N)C(N)=O,0,GDB ChEMBL
235953,Cc1ncc(CC2COCO2)s1,1,GDB ChEMBL
38772,CC1CN2C(=N1)NC(=O)C(=O)CC2CC#N,1,GDB ChEMBL
273947,O=C(c1ccc(I)cc1)C12C=CC(C1)C2,0,GDB ChEMBL
47362,C#CC1(C)CC=CC1C(C)CCCC,0,GDB ChEMBL
17032,CNC(=O)N1C=NCCC(=NO)C(O)C1=O,0,GDB ChEMBL
281839,CC1Cc2cncc(F)c2C2CC1C2,0,GDB ChEMBL
218802,CCCOc1n[nH]c(O)c1NC,1,GDB ChEMBL
45005,NC(=[NH2+])NCC(O)C([NH3+])C1OCC1CO,0,GDB ChEMBL
13150,CC1=CCC2CCCCCC12C(C)C,0,GDB ChEMBL
102114,C#CC1C2CC(C)CCCCC(C)(C)C12,0,GDB ChEMBL
28289,CNC(C)C(C#N)OCCO,1,GDB ChEMBL
31297,CN1CCCC1C(=N)N(C=N)S(C)(=O)=O,0,GDB ChEMBL
304066,Cc1cc(Br)cc(C)c1C(C(C)C)C(C)(C)C,1,GDB ChEMBL
215663,O=C1OCC2=NCCN2C1=O,1,GDB ChEMBL
310808,CC1CN(Cc2ccc(I)cc2)C1=O,1,GDB ChEMBL
214724,CCC1CCC(C2CCC2)[NH+]1C,0,GDB ChEMBL
61520,CC1=C(CC(F)(F)F)CCC(C(C)(C)C)C1,0,GDB ChEMBL
244493,N=C1NC(=O)C(N)C(OC(=O)CO)C1O,0,GDB ChEMBL
45037,CC(C[NH3+])CC(C)(O)C[NH3+],0,GDB ChEMBL
120684,CC1(OCCC(N)=O)CC(C[NH3+])OC1=N,0,GDB ChEMBL
116407,Cc1cc2cc(C)c(N)cc2cn1,1,GDB ChEMBL
235586,[NH3+]C(CC1NC(=O)C(CO)C1O)C(=O)[O-],1,GDB ChEMBL
339104,CC(O)C#CC(C[NH3+])OCCCC(C)O,0,GDB ChEMBL
288636,CCCC#Cc1cc(C=O)nc(CC)c1,1,GDB ChEMBL
126931,CC(=O)c1cc(F)n(CC(C)C)c(=O)c1,1,GDB ChEMBL
21874,C#Cc1cc(CC2([NH3+])CC2)cc(Br)c1NC,0,GDB ChEMBL
34759,O=C(CC=CC1CC1)OCCCO,1,GDB ChEMBL
201135,CC1OCc2c(I)cccc2NC1C1CC1,1,GDB ChEMBL
331703,CC(C)CC1=CCC(C)C1O,1,GDB ChEMBL
271786,CC1CC12CNc1c(Cl)ccc(Cl)c12,1,GDB ChEMBL
235171,CC1CCc2nc(Br)ccc21,1,GDB ChEMBL
334636,CCC1CCC2OCC2C#CC[NH+]1C,0,GDB ChEMBL
95598,CC1=CC([NH3+])C2CC(CCC2(C)O)[NH2+]C1,0,GDB ChEMBL
218323,CCCCn1cnc(C#N)c1C(F)(F)F,1,GDB ChEMBL
67870,COC1C(C[NH3+])C(C)CC1(C)[NH3+],0,GDB ChEMBL
28957,C#CC(C[NH+]=C(N)CCO)C(C#N)CC,0,GDB ChEMBL
6503,CCC(C)C1CC(C)CC(C)(C(C)C)C1(C)C,0,GDB ChEMBL
149389,CC1C=CC2CC1C(O)C1C[NH2+]C2C1,0,GDB ChEMBL
106626,CC1COC2(C[NH3+])CC(C2)[NH+]1C,0,GDB ChEMBL
55522,CCCCC(C(C)(C)C)C12C=CC(C[NH2+]1)C2,0,GDB ChEMBL
236714,CC(C)(C)OC1COCCC1(C)CC=O,0,GDB ChEMBL
242612,CC1NC(=[NH2+])COC(=O)CC(C(=O)[O-])[NH2+]C1C,0,GDB ChEMBL
112754,c1ccc(CC2C[NH2+]C2)nc1,0,GDB ChEMBL
26950,CCNC(=O)Nc1nc(CCO)ns1,1,GDB ChEMBL
53254,O=C1NC=CC2C(O)C(O)C(=O)N12,1,GDB ChEMBL
382207,CNC(=O)C1c2c(NC)cnn2CCC1[NH3+],0,GDB ChEMBL
363767,CC(NC(=N)c1ncsc1N)C(O)CO,0,GDB ChEMBL
144576,CN1C(=[NH2+])NCC2C1C2(C#N)C(N)=O,0,GDB ChEMBL
358441,CCC1C2C(CC#N)C=C(C)CC2C[NH+]1C,0,GDB ChEMBL
345482,CC1CN(C2CC(O)C2)C(=O)C1(C)C,1,GDB ChEMBL
142494,CC1C2C=CC(c3cc(Cl)cc(Cl)c3)C12,1,GDB ChEMBL
234238,NC(N)=[NH+]CC(Cc1cnc[nH]1)NC=O,0,GDB ChEMBL
354849,CCC1CC2C3CC1C2C[NH+](C)C3,0,GDB ChEMBL
319338,O=CCCc1cc(I)c(C=O)c2c1OCC2,1,GDB ChEMBL
34301,C#CCCOCCc1cc(C#C)cc(CC)c1,1,GDB ChEMBL
386676,[NH3+]C1CCC(=O)NCC([NH3+])C1c1cn[nH]n1,0,GDB ChEMBL
100994,C#CCCN(C)C(C)(C#C)C#N,1,GDB ChEMBL
332463,CCC(CCCO)NC(C)(C#N)C(=O)[O-],0,GDB ChEMBL
77282,CNC(=O)OC1C(C[NH3+])OC1C[NH3+],0,GDB ChEMBL
112435,COCC1CC2Cc3c(C)cccc3C1(C)C2,0,GDB ChEMBL
6114,NC(=[NH2+])CCCCCC[NH3+],0,GDB ChEMBL
258709,OCC1CCc2ccc3nn[nH]c3c2OC1,0,GDB ChEMBL
341896,C#CC(CC#N)C1C(C)[NH2+]CC(O)C(O)C1C,0,GDB ChEMBL
171285,CCC1CCC(C#CC(C[NH3+])C(C)[NH3+])CC1,0,GDB ChEMBL
248840,C#CC1CC(C)(C)C(CO)C1CC(C)OC,0,GDB ChEMBL
207937,CCOC1(c2cnccn2)CC(OC)C1,1,GDB ChEMBL
90278,C#CC1(O)CC(C)=CC1(C)C,1,GDB ChEMBL
215441,CC(C=O)C(O)C(CO)NC(N)=O,1,GDB ChEMBL
132817,COCCNC1=[NH+]CCN1C1(C)CC1,0,GDB ChEMBL
174047,CC(=O)N1CCN2CC(O)(CC1)C2,1,GDB ChEMBL
282220,CC(COC(=O)CC[NH3+])c1cc(N)[nH]n1,0,GDB ChEMBL
221918,NC1=NC23C(=O)NC(=O)CC2(O1)C3CO,0,GDB ChEMBL
297036,Cc1cc(O)c2c(c1)NC1CN2C1C(N)=O,0,GDB ChEMBL
207732,CC(C)CC(C)(C)Cc1ccc(C#N)cc1Br,1,GDB ChEMBL
196731,C1=CC2CN2CC[NH+]2CCCC1C2,0,GDB ChEMBL
169484,O=CC1OC(=O)C2C1N2CCCCO,0,GDB ChEMBL
222201,[NH3+]C(CC1(O)C(O)C1CO)C(=O)[O-],1,GDB ChEMBL
220131,CC1C2C(C(=O)OCC(N)=O)C([NH3+])CN12,0,GDB ChEMBL
366599,Cc1nc2c(c(O)c1CO)NCCO2,1,GDB ChEMBL
395949,C[NH2+]C12C(C)CCC1CCC(C)[NH+](C)C2CO,0,GDB ChEMBL
7379,CCC(C[NH3+])CC(NC)=[NH+]C,0,GDB ChEMBL
377794,CNC(=[NH+]C)C1(C(=O)[O-])CCNC1=O,0,GDB ChEMBL
85071,CN1CC(C#N)CCC1CO,1,GDB ChEMBL
240024,C[NH2+]CC(=N)N1CCC(C)([NH3+])C1=O,0,GDB ChEMBL
366747,C#CC(C(N)=O)C(O)C1COC(=N)N1CC#N,0,GDB ChEMBL
103924,CC12CC[NH2+]CC1CCC1OC12,0,GDB ChEMBL
375478,CC(CS(=O)(=O)[N-]c1cscn1)=NO,0,GDB ChEMBL
37333,CC[NH+]1CC(C(C[NH3+])CCO)C1,0,GDB ChEMBL
173186,C[NH+]=C(N)NC1C2NC(=O)NC21,0,GDB ChEMBL
127236,COC(=N)N1C(=O)CC(C)C(O)C1C,0,GDB ChEMBL
288514,CC=CCCC(C)=CC(C)[NH2+]CC,0,GDB ChEMBL
134462,COCc1cccocc(C)c(CC[NH3+])c1,0,GDB ChEMBL
76056,COC12CN(C)S(=O)(=O)CC(CO1)C2C(=O)[O-],0,GDB ChEMBL
342342,O=C([O-])C1C[NH2+]C(CO)CCNS(=O)(=O)C1,0,GDB ChEMBL
108147,CC1CCCC2C1CC1(C)CC2(C)CO1,0,GDB ChEMBL
122876,CC1CNS(=O)(=O)OCC(=O)N1C,1,GDB ChEMBL
358861,NC1CC([NH3+])CNS(=O)(=O)C1CO,0,GDB ChEMBL
144628,CC1=C2C[NH+](CCCCN1)CC(C)CC2=O,0,GDB ChEMBL
238600,CC(C)CCCCCC#Cc1ccccc1,1,GDB ChEMBL
201094,CCC1CCCCC2CCC(=N2)OCCC1,0,GDB ChEMBL
169058,CC1=CC2C(CC(C)C2C(C)[NH3+])C1O,0,GDB ChEMBL
205904,N#CC1C([NH3+])C1CC(O)CS(N)(=O)=O,0,GDB ChEMBL
3036,CNC(C)(C(O)C([NH3+])C(=O)[O-])C(C)([NH3+])CO,0,GDB ChEMBL
133176,CCc1ncc(C2CC2)c(C[NH3+])c1Br,0,GDB ChEMBL
222592,C#CC1C=CC([NH+](C)CC(N)=O)C1,0,GDB ChEMBL
143503,C=C1CC2C(O)C3C[NH+](C)C2CC13,0,GDB ChEMBL
112027,CC(=O)n1cnc(N)c1CO,1,GDB ChEMBL
199061,CCC([NH3+])COS(=O)(=O)[N-]C(=O)NC,0,GDB ChEMBL
17649,CCCC1CN1C=O,1,GDB ChEMBL
118130,C[NH2+]CC(=O)[N-]S(=O)(=O)C(C)OCC#N,0,GDB ChEMBL
12819,CCOC(=O)C1(C2[NH2+]C(C)C2C)CC1,0,GDB ChEMBL
248203,CCOC(C)(C)C1C([NH3+])C(C[NH3+])C(O)C1O,0,GDB ChEMBL
111554,CC(C)C1=CC=CCCC(C)(C)C1,0,GDB ChEMBL
383046,CNC(C#N)(CC(C)(C)C=O)C(N)=O,0,GDB ChEMBL
244590,CC#CC1[NH2+]CC2CCCC21,0,GDB ChEMBL
156532,CN(C)c1nn(C)c(=O)n(CC(N)=O)c1=O,1,GDB ChEMBL
385946,CC(=O)C(CNC(C#N)CO)NC=O,1,GDB ChEMBL
230723,COC12CC(=O)NC1=NC(C(N)=O)C2,0,GDB ChEMBL
288720,CC(O)CCC1CNC(CC(C)([NH3+])CCO)=[NH+]1,0,GDB ChEMBL
103885,CCCC1[NH2+]C(C(C)C)C([NH2+]C)C1CC,0,GDB ChEMBL
274210,CC(=O)N(C(=N)NC=O)S(C)(=O)=O,1,GDB ChEMBL
338546,COC1C=CC(C[NH3+])C1O,0,GDB ChEMBL
186564,C=CC(OCC1NCC1[NH3+])C(=O)[O-],0,GDB ChEMBL
277687,CNC(=[NH+]CCC#N)C1COC1,0,GDB ChEMBL
37314,CCN(CC(O)CO)C1C([NH3+])CNS1(=O)=O,0,GDB ChEMBL
24755,CCCC(C)C#CC1CCCCC1,1,GDB ChEMBL
161791,C[NH+]1C2COC(=O)CC1C2,0,GDB ChEMBL
292252,CCCC1CCC(CC)C=CCC(C)C1,0,GDB ChEMBL
323966,CS(=O)(=O)N1C=NC(C(=O)c2ncc[nH]2)CC1,1,GDB ChEMBL
230697,CCOC12C=C(CC)C(CC1)CC2,1,GDB ChEMBL
134455,COCC(=O)NC(=O)CC(=O)n1ncnc1C,1,GDB ChEMBL
342576,Nc1onc2c1CCNC2CC[NH2+]CC(=O)[O-],0,GDB ChEMBL
352672,CCC1C[NH2+]CCC(C2CCC([NH3+])C2(C)C)C1,0,GDB ChEMBL
235501,Cc1cc2c(cc1F)CC1(C2)CC(C)C1,1,GDB ChEMBL
227781,CN(CC(C)(CO)C(N)=O)c1csc(O)n1,1,GDB ChEMBL
288633,CC(NC(=O)Nc1cc(C=O)[nH]c1O)C(=O)[O-],0,GDB ChEMBL
171336,COc1nccc(CO)c1CO,1,GDB ChEMBL
121082,CC1CC(C)OC(=O)C(C2CO2)N1,1,GDB ChEMBL
312520,CC#CCc1cc(Cl)c2[nH]cc(CC)c2c1,1,GDB ChEMBL
204780,CCOc1nnc(C)c(C#N)c1C(C)=O,1,GDB ChEMBL
298092,CCc1cc(C)c(Br)c(C2CCCC2)c1,1,GDB ChEMBL
356501,CCC(C)C1CCOCC2(C)CC=C1C2,0,GDB ChEMBL
143133,CCNC(=[NH2+])Nc1nc(N)c(N)cc1N,0,GDB ChEMBL
283300,C#Cc1ccc(NC)cc1,1,GDB ChEMBL
76107,CC1([NH3+])C2CC(CO)C(O2)C1(O)CC(N)=O,0,GDB ChEMBL
34459,Cc1sccc1N1CCC1,1,GDB ChEMBL
189749,CN(CC(F)(F)F)C1CC(C)(O)C(O)C1(C)C,1,GDB ChEMBL
209429,CC[NH+]1CC=CC1C(=O)[O-],1,GDB ChEMBL
236685,CC1CC(O)COC12C1CCCCC12,0,GDB ChEMBL
235900,C[NH2+]CCOC1C(CC(N)=O)[NH2+]CC1(O)C=O,0,GDB ChEMBL
394314,CCNC(=[NH2+])CN(C)C(N)=O,0,GDB ChEMBL
38597,COCC1C2NS(=O)(=O)C1C(NC=O)C2O,0,GDB ChEMBL
279268,N#CC1CN1C1C(=O)OCC1C(=O)[O-],0,GDB ChEMBL
390535,NC(=O)c1cc(N)ncc1N1CC1,1,GDB ChEMBL
156193,C[NH2+]C(C)C1C[NH2+]C1CCOC,0,GDB ChEMBL
155057,CCC(O)(CNC(=O)CC[NH2+]C)C[NH2+]C,0,GDB ChEMBL
235992,CCOC(CO)C(=N[O-])C(=O)C(=O)[O-],0,GDB ChEMBL
302281,C#Cc1c(C)ccc(CC(C)C)c1C(O)CC,1,GDB ChEMBL
274209,CC(C)CC(O)CNc1n[nH]c(=O)c(Cl)n1,1,GDB ChEMBL
263227,CNCC[NH2+]CCC1C2OC(=N)OC12,0,GDB ChEMBL
51869,CC1=CC(C(C)(C)C)[NH+]2CCC1CC2C,0,GDB ChEMBL
271475,CCC1CN(C2(C)CC2)C(=O)O1,1,GDB ChEMBL
127142,C#CCC(N)(C#N)Cc1nc(C)ccc1F,1,GDB ChEMBL
391342,C[NH2+]CCC(=O)C1CN2CC(=N)OC1CC2C,0,GDB ChEMBL
87668,CC1CC2COC(C)C1C(C(F)(F)F)C2O,0,GDB ChEMBL
290534,CN1C(C[NH3+])C(N)(CC(N)=O)CCS1(=O)=O,0,GDB ChEMBL
203880,CN(CCO)C(=[NH2+])NC(=N)C=O,0,GDB ChEMBL
170309,CC(C)=CC1=CCCCCC(O)C1,1,GDB ChEMBL
188495,N#CCc1cc(-n2nccn2)c(O)nc1O,1,GDB ChEMBL
351150,CCCC1CCC(C(C)(C)C)CC1C(C)(C)C,1,GDB ChEMBL
156552,CC(=N[O-])C1(O)C[NH2+]C(C(N)=O)C1C(O)C#N,0,GDB ChEMBL
304118,CNc1c(I)cc2[nH]c(O)nc2c1C,1,GDB ChEMBL
244488,CC1(C)CNC2CCCCOCCC1OC2=O,0,GDB ChEMBL
115008,CC(C)CCC1(CC(F)(F)F)CC(C)C(C)C1,0,GDB ChEMBL
263501,CCCC(=O)Oc1nc(CO)cc(=N)nc1N,0,GDB ChEMBL
372692,CC1(CNC(N)=O)C[NH2+]C1,1,GDB ChEMBL
96045,CCC1=CCC(C)[NH+]2CC1C2,0,GDB ChEMBL
252562,CCN1C(=O)C2(OC)CC1C1C[NH2+]C1C2N,0,GDB ChEMBL
313722,CCC1(C)C2CCCCC1C1CC2C2CC21,0,GDB ChEMBL
215437,CCCC1C2CCCC3OC3C1[NH2+]C2,0,GDB ChEMBL
228794,CN=C(NC(N)=[NH2+])NC(=O)C(N)C[NH3+],0,GDB ChEMBL
95174,Nc1nc2c(C[NH3+])csc2c2cccnc12,0,GDB ChEMBL
290285,COC1CC2CC(OC)C1[NH2+]2,0,GDB ChEMBL
392273,CCN(C)c1nc(O)nc(=O)n1C(C)=O,1,GDB ChEMBL
190855,C[NH2+]CCc1nc(C)c(N)nc1Cl,0,GDB ChEMBL
66675,Cc1ccc(Cl)c2c1C(C(F)(F)F)CC2(C)C,1,GDB ChEMBL
195371,CCC1CCCC(C)C2CC(C(C)C)C1(C)C2,0,GDB ChEMBL
251838,CC(=O)NC1COC1c1cscn1,1,GDB ChEMBL
345388,CC(CCNC(N)=O)Nc1cc(N)co1,1,GDB ChEMBL
348863,NC(=[NH2+])NC1C(O)CC(=O)CC(C=O)C1O,0,GDB ChEMBL
38590,[NH3+]CCNCC(O)Cc1[nH]ncc1NC=O,0,GDB ChEMBL
242994,CCC(C)CC1(C)CC[NH2+]CC1(C)C(C)CC,0,GDB ChEMBL
245838,C[NH2+]CC1NC(N)=NC(C#N)C1C,0,GDB ChEMBL
265310,N=C1NC(=O)CC(C2(CO)CNC(=O)N2)CO1,0,GDB ChEMBL
203817,NC1=[NH+]CC2[NH2+]C(C(O)CC(=O)[O-])C(O)C2N1,0,GDB ChEMBL
321809,CC(=O)N1CC(=NO)C1COCCO,1,GDB ChEMBL
111882,CCCCC(C)C1=CCC(C)C(CC)C=C1,1,GDB ChEMBL
320791,CCC(Cc1ncnnn1)[NH2+]C,0,GDB ChEMBL
362864,CC1=CC2C3C[NH+]2C(CC(N)=O)C13,0,GDB ChEMBL
190345,[NH3+]CC1(C(O)CC2COCC[NH2+]2)CC1,0,GDB ChEMBL
289393,CCC1CCC2C1C1CC[NH+](C)C21,0,GDB ChEMBL
17489,CCCCC1(C)CCC2CC(C)C(O)C21CO,0,GDB ChEMBL
132278,C#CS(=O)(=O)NC1(CCCNC(C)=O)CC1,1,GDB ChEMBL
191523,CC1C[NH+](C)C2(CCC([NH3+])CC2)CC1(C)C,0,GDB ChEMBL
391498,C#CCC1CC=CC(C)(C(O)CCC)C1,0,GDB ChEMBL
369889,Fc1cccc2ccncc12,1,GDB ChEMBL
65936,NC1=[NH+]C2CNC(CO)C1COCC(O)C2,0,GDB ChEMBL
317361,C#CC1NCC12C(=O)OCCCN2C,0,GDB ChEMBL
19649,CCC[NH+]=CN1CC(=O)N(C)CC(C(=O)[O-])C1,0,GDB ChEMBL
277729,C[NH2+]CC1(O)C2OC1C(OC(N)=O)C2O,0,GDB ChEMBL
225471,CC1C[NH2+]C2C(=O)OC(C3CC3)=NCCC12,0,GDB ChEMBL
227784,COc1cc(=O)c(O)c(C)nc([O-])scc1N,0,GDB ChEMBL
4872,CC(C)C12CCC(CC3CCC(CC3)C1)[NH2+]C2,0,GDB ChEMBL
304026,C[NH2+]CC1C=C(C)C(C)C1,0,GDB ChEMBL
60957,OC1CCC(CC2CCCC2)C(C(F)(F)F)C1,1,GDB ChEMBL
199087,CCc1cc(F)ncc1CC1CCC1CC,1,GDB ChEMBL
395119,CC1CCC(C)C12C=CCCCC=C2,0,GDB ChEMBL
369902,CC1(C)C=CC(CCO)C1(C)C,1,GDB ChEMBL
47379,CC1CCC(O)CC2C(C)C[NH+]2C(C)C1,0,GDB ChEMBL
354427,COC1(CCC(C)C)CCCC1C(C)C,1,GDB ChEMBL
227248,COCCC1(C(=O)S(C)(=O)=O)C[NH2+]C1,0,GDB ChEMBL
39664,CC(CO)C1CNC(=O)N1,1,GDB ChEMBL
122901,CCC1CC1CC1C[NH2+]C1,0,GDB ChEMBL
210154,CN(C=O)C(CO)CC(O)C1CN1,0,GDB ChEMBL
362970,CC(C)CC(C=O)COC(=[NH2+])NCCO,0,GDB ChEMBL
341854,C#CC[NH2+]CCCC(C)=CC1CC1,0,GDB ChEMBL
8663,COCCC1CCC(O)CCOC1C(N)=O,0,GDB ChEMBL
140335,CCC(C)C1C2C(O)C3CCCC3C12,0,GDB ChEMBL
36052,C[NH2+]C1C2CCCC(=O)C21CO,0,GDB ChEMBL
194452,CCC1(N)C(C#N)NC=NC1(CO)C(=O)NC,0,GDB ChEMBL
136656,COCC1N(C(=N)N)C(=O)N2C3CCCC132,0,GDB ChEMBL
126608,CCC=CCCC1CC1C(C)CC,1,GDB ChEMBL
248629,C#CC(c1c(C)cc(Cl)c(Cl)c1Cl)C(F)(F)F,1,GDB ChEMBL
309846,CC(CC(=O)OCC(C)(O)C=O)c1ccoc1,1,GDB ChEMBL
228491,CC#CC1[NH2+]C2CC(C)(C)C1C(O)C2O,0,GDB ChEMBL
205796,C=CCC1CCC2(C)OC(C)CC12,0,GDB ChEMBL
4980,COC(C)(C)C1CCC2=CCCC21C,1,GDB ChEMBL
103465,CCCCCC1C(O)C(CC)C2CC12,1,GDB ChEMBL
278901,CC(=O)NCC(C)C(C)(C)[NH2+]Cc1ccc[nH]1,0,GDB ChEMBL
134006,CC1C[NH2+]C2(C(=O)[O-])CS(=O)(=O)CC2N1,0,GDB ChEMBL
84513,NC1=NC2CC(O)CNC(=O)C(O1)C2N,0,GDB ChEMBL
19664,CC12OC(=O)NC1=NC1CCCC(O)C([NH3+])C12,0,GDB ChEMBL
221147,C[NH2+]CCC(C(=O)[O-])C1C([NH3+])C1(C)O,0,GDB ChEMBL
234234,C#Cc1nccc(C)c1CC(C)(C)C([NH3+])C#C,0,GDB ChEMBL
112768,OCCOCCCOc1c(O)nc(O)nc1F,1,GDB ChEMBL
144609,CCC1C(C)=CC(C)CC(C)C1(C)CC,0,GDB ChEMBL
234513,CC(=O)C12CC(O)C(=O)NC1C2,0,GDB ChEMBL
127225,CC#CC(=O)Nc1onc([O-])c1C,0,GDB ChEMBL
16499,COc1cc2c(cc1Br)OCCC(C)(C)N2C,1,GDB ChEMBL
389367,C#CCC1(CC=C)CC[NH+](C)CC1,0,GDB ChEMBL
241146,CC(=O)OC1(CC(O)C2CC2)C=CCC1,1,GDB ChEMBL
43568,NS(=O)(=O)CC(O)CC1CC[NH2+]1,0,GDB ChEMBL
326434,C#CCCC1C[NH2+]C2CCC(C)C(C2)C1(C)[NH3+],0,GDB ChEMBL
238573,COCC#CC1(C=O)CCC=C1C,0,GDB ChEMBL
350269,CN=C(OC(=O)NC)C(N)CS(N)(=O)=O,1,GDB ChEMBL
32018,COc1nc(C)cnc(N)csc1C,0,GDB ChEMBL
264002,[NH3+]CCc1c(O)nn2c1OCC2,0,GDB ChEMBL
271334,CCCN1C=C(C=O)C(C)(C#CCO)C1,0,GDB ChEMBL
288667,N#CC(O)C(CO)NC1CCCC1(C[NH3+])C[NH3+],0,GDB ChEMBL
201663,COCC[NH+](C)CC1(COC)CC(C[NH3+])C1,0,GDB ChEMBL
314149,CC1CN1CC1OCC1C(N)=O,1,GDB ChEMBL
258724,CC1OCC(C2OC2CC[NH3+])C1[NH3+],0,GDB ChEMBL
354770,C#Cc1[nH]nc(OCCC[NH2+]C)c1COC=O,0,GDB ChEMBL
305338,Cc1c(F)cc(F)c2c1N(C)CC2C,1,GDB ChEMBL
203872,C#CCC1(C=O)CCC([NH2+]CCC)CC1C#C,0,GDB ChEMBL
29208,COC(=O)C1CCC1C(=O)CCO,1,GDB ChEMBL
6079,Nc1noc(CO)c1CC(=O)[O-],1,GDB ChEMBL
326440,CCC1CC([NH2+]C)C(C)O1,0,GDB ChEMBL
270995,C#CCCCCc1c(C)ccc(C)c1I,1,GDB ChEMBL
192605,CC1CC(O)(C(N)=O)C(S(N)(=O)=O)O1,0,GDB ChEMBL
238540,COC1C(O)CC2CC(C#N)C21C[NH3+],0,GDB ChEMBL
68456,NC(=O)OCCCS(=O)(=O)CCC(=O)[O-],1,GDB ChEMBL
174190,CCCC1[NH2+]C(CN)(C(C)(C)C)CC1C(C)C,0,GDB ChEMBL
186685,N#CC1CCC2(CC(NC(N)=[NH2+])C2)C1O,0,GDB ChEMBL
330058,NC12C(=O)NC(C(=O)[O-])CC1([NH3+])C2O,0,GDB ChEMBL
129786,C#Cc1c2c(cc(CC)c1OCC)CCC2,1,GDB ChEMBL
210725,CNC(C=O)C(O)c1csc(N)n1,1,GDB ChEMBL
136413,CCOc1cnc(F)c(F)c1CC(F)(F)F,1,GDB ChEMBL
175901,CCC(=NO)C(N)=NC(C)C(C)O,0,GDB ChEMBL
365707,C#CC1C=CC([NH3+])CN1CCC,0,GDB ChEMBL
354047,CCOC1C2(O)C3CC(C3)C12O,0,GDB ChEMBL
127485,Cc1scc(CC(N)=[NH2+])c1C(C)C[NH2+]CCO,0,GDB ChEMBL
281810,Cc1ccc(Br)c2c1NCC2,1,GDB ChEMBL
321392,NC(=[NH2+])C(CC[NH3+])N=C(N)NC=O,0,GDB ChEMBL
151766,O=C1CC2(C[NH2+]C2)CC2(COC(=O)N2)C1,0,GDB ChEMBL
263474,CC(=O)OC1COC2CC(C2=O)N(C)C1,0,GDB ChEMBL
203566,CCC1COC(C(O)COC)C(C)([NH3+])CC1C,0,GDB ChEMBL
9888,C[NH2+]CC1C(O)C2CN(C)C(=O)N12,0,GDB ChEMBL
130877,C[NH2+]CCC1CC2(C)CCCCC2C(C)C1[NH3+],0,GDB ChEMBL
330115,CN=CNC(=O)CNCC#N,1,GDB ChEMBL
127200,C1=CC2CCCC2C=CCCOCC1,1,GDB ChEMBL
304416,COCC1CCC(C)(C)C(C)(O)C(=O)NC1=N,0,GDB ChEMBL
195416,CC1CC2CC(C[NH+]2C)C(C)C(C)O1,0,GDB ChEMBL
274191,CC1CC2CCC1C(C)CC(C)(C)CC2,0,GDB ChEMBL
309172,CC1CCC2(CC(=O)C=CC2O)CC1O,1,GDB ChEMBL
31999,CCN(C)c1cnc[nH]c(=O)cnc(=O)n1C,0,GDB ChEMBL
76706,C#Cc1c(C)cc(CC)c(O)cc1=[NH2+],0,GDB ChEMBL
165913,CC12C3CC(=O)NC(C3)(C1O)C2O,0,GDB ChEMBL
284367,CC=CC=CC(C)(C#N)CC1CC1,1,GDB ChEMBL
203651,CCCOC(=O)CC([NH3+])CN(C=O)C=O,1,GDB ChEMBL
330338,CC1C2CCNC3CC12OC3=O,0,GDB ChEMBL
25220,CC(O)C1[NH2+]CC2(O)C(O)COC(=O)C12,0,GDB ChEMBL
181546,CC1(CCC(F)(F)F)CC2CC(C2)C1,0,GDB ChEMBL
336033,CC(C[NH3+])c1c[nH+]c2c(c(=N)c1)NC(CO)C2,0,GDB ChEMBL
112393,CCc1cc(Br)c(OC)cc1N,1,GDB ChEMBL
395146,CNC(=O)N1CCCC(C(C)(C)C)CC1=O,1,GDB ChEMBL
226265,CCC1CC(C)CCC=C(C)C2C1C2(C)C,0,GDB ChEMBL
126625,CN(C)C(=[NH2+])NC1=C(C#N)C(=O)CC1,0,GDB ChEMBL
231112,NC(CS(N)(=O)=O)C(CO)C1CC[NH2+]1,0,GDB ChEMBL
377750,CC(C)OC(=O)NC(=O)Cn1cnc(N)n1,1,GDB ChEMBL
204396,C#CCc1cnc2c(c1)C(=O)NC(C)(C)C2,1,GDB ChEMBL
61847,COCC1C2CC(C)CC(C#N)CC12O,0,GDB ChEMBL
355343,CCC12CC([NH3+])COC1C(O)C[NH+]=C(N)O2,0,GDB ChEMBL
347984,CC(CCO)C1(C)C(C)C1C,0,GDB ChEMBL
185281,CCC1=CCc2c1c(Br)cc1cn[nH]c21,1,GDB ChEMBL
283434,[NH3+]C1CCC=CCC([NH2+]C2CCC2)C1,0,GDB ChEMBL
140874,CCC(C)[NH2+]C12CC1N(CC)C1CCCC12,0,GDB ChEMBL
165642,CCC1(CO)[NH2+]C2C(=O)NCC1(O)C1CC21,0,GDB ChEMBL
148737,COC(=N)N(c1nc(C)cs1)C1CC1,1,GDB ChEMBL
85814,C#CC1(C)Cc2ccc(C)cc2C(C)(C)O1,1,GDB ChEMBL
165939,CC(O)(CO)C(CN)[NH+]=C(N)N,0,GDB ChEMBL
99661,N=C1NC(CO)(C(=O)[O-])C(CO)O1,0,GDB ChEMBL
98595,NC(=O)CCC([NH3+])C(O)CN=c1cccns1,0,GDB ChEMBL
358522,C#CCc1cc(C)ccc1CCC,1,GDB ChEMBL
120505,O=C([O-])C[NH2+]C1C(O)C2NC(=O)C1C2CCO,0,GDB ChEMBL
115434,CC12COC3(CCC(C[NH3+])CC3)C1NC2=O,0,GDB ChEMBL
316142,CC1=NC(CO)C(C)(O)CC(=O)C(C#N)N1C,0,GDB ChEMBL
40243,C#CC[NH+]1C2C=C(C)CC1CC2,0,GDB ChEMBL
50941,C[NH2+]C1CNC(C(O)C(=O)[O-])=NCC(C=O)C1,0,GDB ChEMBL
203558,CCC12OCC3C[NH+](C)C1C32,0,GDB ChEMBL
299554,CC[NH2+]C1C(=O)N(CC)C1CO,0,GDB ChEMBL
200739,C#CC(CC)c1cc(I)ccc1C1CC1,1,GDB ChEMBL
251412,CCC(O)CCC(O)C[NH3+],0,GDB ChEMBL
133165,NC1=[NH+]C(CCCCO)Cc2nocc2N1,0,GDB ChEMBL
265527,CC(C#CCC#N)C(=[NH2+])N(C)CCO,0,GDB ChEMBL
53316,CN1CCCOC2(C[NH2+]C2)C1C[NH3+],0,GDB ChEMBL
118674,[NH3+]C1C(O)C2NC3CC1C2OC3=O,0,GDB ChEMBL
179131,CC1(CC(C[NH3+])CCC(N)C#N)CC1,0,GDB ChEMBL
262354,COC1OC2CC(C)C1OC2=O,0,GDB ChEMBL
48207,CC[NH+]1CCCCC(=O)C2(C)CC2C1,0,GDB ChEMBL
358617,CC(O)C1NC2CC1(CCS(N)(=O)=O)OC2=O,0,GDB ChEMBL
368545,C#CC[NH+]1CC=CC(C)C(OC)C1C(C)C,0,GDB ChEMBL
136564,C#Cc1cc(C)cc(C(C)(C)CCC)c1CO,1,GDB ChEMBL
288917,C#CC#CC1CCc2ccc(CC)c(F)c21,0,GDB ChEMBL
161766,[NH3+]CC1CCC2CC1NC(=O)O2,0,GDB ChEMBL
115946,C#CCC1([NH+](C)C)CCN(C(C)=O)C(C)C1,0,GDB ChEMBL
346986,CC1CC(C)[NH+]2C(C)CC([NH3+])C12,0,GDB ChEMBL
386634,COC1CNC(C(O)CCO)C(O)C(C#N)O1,0,GDB ChEMBL
34339,CC1[NH2+]CC1COC(=O)C(O)C[NH3+],0,GDB ChEMBL
352219,CCC1([NH+]=CNC)CCOCC1,0,GDB ChEMBL
385396,C=C1CCCCCCC=CC1CC,1,GDB ChEMBL
280646,NC(=[NH2+])NCC(OC=O)C(O)CC[NH3+],0,GDB ChEMBL
44126,CCc1cccc(C)ccc2ccc(Br)cn12,0,GDB ChEMBL
337049,NC1CC2CCC2OC1=O,1,GDB ChEMBL
136467,CC1=CCNc2c(C)ccc(C)c21,1,GDB ChEMBL
33858,CNC1[C-](C(N)=O)S(=O)(=O)C(C)C(O)C1O,0,GDB ChEMBL
271596,CCCCC1Cc2c(CC)ccn21,0,GDB ChEMBL
33105,CC#Cc1cc(Br)c(C)cc1C,1,GDB ChEMBL
346999,CNC(C1CC([NH3+])C1)C(F)(F)F,0,GDB ChEMBL
322964,[NH3+]CC1OCOCCC1O,0,GDB ChEMBL
244679,CC1C=C2C(C1)C[NH+](C)C2C,0,GDB ChEMBL
88137,CC[NH+]1C(C)C(C)C2CC2C1C,0,GDB ChEMBL
388393,C#CC1C(C)(C)C1(CC)CC(OC)C(C)C,0,GDB ChEMBL
299734,CC1CC2=CC[NH+]1Cc1cc(cs1)CC=C2,0,GDB ChEMBL
331144,CCC(C)(CCC(F)(F)F)CC(F)(F)F,1,GDB ChEMBL
307898,CCCCC(=O)OC1C(C)C1OC,1,GDB ChEMBL
137053,CCCCOCc1nc(NC)sc1N,1,GDB ChEMBL
119410,CC12CN3CC([NH2+]CCO1)C2C3,0,GDB ChEMBL
354777,C[NH2+]C1CC(NCC=O)C(C)C=CC1OC,0,GDB ChEMBL
61842,CC(C)c1cccc(C2CC=CC2)c1Cl,1,GDB ChEMBL
203861,CC1C2CCC(O)C1C1C2C[NH+]1C,0,GDB ChEMBL
230225,CN(C)C(=O)NC1=CCC2CCOC12,0,GDB ChEMBL
340466,N=c1nc(C[NH3+])cc(OCC(=O)[O-])c(=O)s1,0,GDB ChEMBL
350277,C#CCC1CC1c1ccc(I)cc1C#C,0,GDB ChEMBL
273681,CCCCC(C)(C1CCC1)C(F)(F)F,0,GDB ChEMBL
6127,COCCC1CC([NH3+])CC([NH3+])C1,0,GDB ChEMBL
176475,CCC1CC2CN(C)C(C#N)C12,0,GDB ChEMBL
118116,CC(=O)c1cc(Br)c2cc(C(=O)[O-])nn2c1,0,GDB ChEMBL
244326,CC[NH2+]C1CNC(C(C)=O)(C(F)(F)F)CC1C,0,GDB ChEMBL
277394,CCOc1nn(CC(=O)[O-])c(=O)[nH]1,1,GDB ChEMBL
379218,COC1OC2C(N(C)C1C(N)=O)C2(O)CO,0,GDB ChEMBL
77026,O=c1ccc2c(CO)ncc(O)c2[nH]1,1,GDB ChEMBL
72376,C[NH2+]C1CC(OS(N)(=O)=O)C(O)CCC1N,0,GDB ChEMBL
362974,C#CC1(CCC#N)CC(CC)C[NH2+]C(C)(C)C1,0,GDB ChEMBL
176441,N#CC(N)CCC([NH3+])C(N)=O,1,GDB ChEMBL
378088,Cc1snc(CN(C)C)c1S(N)(=O)=O,1,GDB ChEMBL
225197,CN=C(CO)NC(C)C(=O)N1CC1,0,GDB ChEMBL
705,CC1CC2C(OC=O)CCC2[NH+]1C,0,GDB ChEMBL
141723,C#CCC(C)(C)c1cc(C)c(OC)cc1CO,1,GDB ChEMBL
317336,CC1CC(CC(C[NH3+])C[NH3+])CC2(CC2)C1,0,GDB ChEMBL
157411,C[NH2+]C1CCCC(C)(C2C(C)C2(C)C)C1,0,GDB ChEMBL
332429,CCC1CC2CCC(C)CC2C1CC1CC1,0,GDB ChEMBL
194731,Cc1cc(Br)c2c(c1)C([NH3+])C(C)(O)C2,0,GDB ChEMBL
208371,C=C1CC(CC[NH+](C)C)CC1C[NH3+],0,GDB ChEMBL
256025,CC1(C)CC(=O)OCC2(C[NH3+])COC1C(=O)N2,0,GDB ChEMBL
118459,COCC1(NCCO)C(CC#N)OCC1(C)[NH3+],0,GDB ChEMBL
142402,CCN(C=O)C=NC1COC(=O)C1,0,GDB ChEMBL
105073,CCC(C(=O)[O-])C([NH2+]CC(C)O)C(O)C[NH3+],0,GDB ChEMBL
388303,NC(=O)C1CNS(=O)(=O)C2C(O)C2CC1[NH3+],0,GDB ChEMBL
190267,CC(COC1(CC(N)=O)C([NH3+])C1O)NC=O,0,GDB ChEMBL
367759,CCC(O)C1CN(C)C1C(NC)=[NH+]C,0,GDB ChEMBL
88163,C#CC1(C(=[NH2+])NC(C)C(N)=O)COC1,0,GDB ChEMBL
318738,C=C(CC#CCC)CCC(F)(F)F,1,GDB ChEMBL
366605,Cc1cnc([NH+]=CN)cc1C[NH3+],0,GDB ChEMBL
17483,CC1CC=CCC(OC(C)CCO)O1,0,GDB ChEMBL
238006,N#Cc1ccnc[nH]cc(O)c1N,0,GDB ChEMBL
393983,C[NH2+]C1C(O)C(=O)N2CC12,0,GDB ChEMBL
20769,[NH3+]C1CC(C(=O)[O-])OC(=O)C=CC1CO,0,GDB ChEMBL
4757,CC1=NCCNC(=O)C2[NH+]=C(N)N1C(=N)C2O,0,GDB ChEMBL
394891,CCC(=O)C1=CC2[NH2+]CC2C1,0,GDB ChEMBL
391684,CCC1CCC(C)=CC#CC=C(C)C1,0,GDB ChEMBL
142506,CC1CC2C(=O)NC(C(C)O)C(C1)C2(C)[NH3+],0,GDB ChEMBL
155185,COc1cc(C)c(OCC(C)(C)C)cc1O,1,GDB ChEMBL
349455,CC12CC[NH+]3C4C3C1CCC42,0,GDB ChEMBL
239121,[NH3+]CCC(=O)Nc1cn[nH]c1,1,GDB ChEMBL
310129,CC1=CC(CO)C(CCCCCO)C1,0,GDB ChEMBL
157396,CC1(C(CO)C(N)=O)CO1,1,GDB ChEMBL
115613,CCC[NH2+]CCCc1[nH]c(=O)sc1N,0,GDB ChEMBL
310299,CCCCC(=[NH+]CCC=O)N(C)C1CCCC1,0,GDB ChEMBL
362008,C#CC(C#N)C(C#N)CC(C)C[NH3+],0,GDB ChEMBL
115213,CC1=CNCC(C)CC1=O,0,GDB ChEMBL
358594,CCC(C)C(C)CC1=CC(=O)CCC1,1,GDB ChEMBL
119969,NS(=O)(=O)OC1CCC([NH3+])C1,0,GDB ChEMBL
60967,COC1CC2C(C(O)C1C)N2C,0,GDB ChEMBL
147966,C#CCC(C#N)C1C(C)=CCC1(C)C,1,GDB ChEMBL
397079,CCC(O)C1C2NC(=O)C(CC)C21,0,GDB ChEMBL
308013,N=C1NC(=O)C(C(=[NH2+])NC(C[NH3+])CO)N1,0,GDB ChEMBL
366749,CNC(N)=[NH+]CCC(C=O)Nc1n[nH]cc1N,0,GDB ChEMBL
116375,C[NH+]1CC2C(C#N)C1C1CCOCC21,0,GDB ChEMBL
194257,C#CCC[NH2+]CCC(C)[NH3+],0,GDB ChEMBL
181618,CCC1CC(CC)N(C)C2C1C(C)[NH+](C)C2C,0,GDB ChEMBL
189990,C=C1C(CCCOC)NC(=[NH2+])N1C,0,GDB ChEMBL
182520,C[NH+]=C(N)NCCOC(C)C,0,GDB ChEMBL
214698,CCC1CC(C#N)(CC(N)C[NH3+])CO1,0,GDB ChEMBL
394928,COC1CC(O)C(=O)NC(C(N)=O)C1[NH3+],0,GDB ChEMBL
236579,COC1C(C(N)=O)CC23CNS(=O)(=O)C2C13,0,GDB ChEMBL
271004,CCCC1C(C)OCC2(O)C(C(C)=O)C12,0,GDB ChEMBL
222607,CNC(CC[NH3+])C(=O)NC(=N)NC=O,1,GDB ChEMBL
389091,C#Cc1cc(CC)c(Cl)cc1C1CC1,1,GDB ChEMBL
369349,CCC1C(=[NH2+])NCCC1C([NH3+])CO,0,GDB ChEMBL
259325,CN1C2CC(CO)C(O)C21,0,GDB ChEMBL
16493,C=CC1CC(C(CC)C[NH+](C)C)[NH2+]1,0,GDB ChEMBL
384850,O=C([O-])Cn1cc(OCCO)nn1,0,GDB ChEMBL
140099,Cc1cc(C)c(-c2ncnn2C)cc1F,1,GDB ChEMBL
181532,N#CC(=N)N1CC(C(=O)[O-])N(C(=O)CO)C1=N,0,GDB ChEMBL
16753,CCc1cscc1CC#N,1,GDB ChEMBL
348715,C[NH2+]C1COC(OC(C)=O)C=C(C)C1,0,GDB ChEMBL
121701,CN1CC2NC(=[NH2+])C2(C)C(O)C1=O,0,GDB ChEMBL
249428,CC(C)(C)NC(C[NH3+])c1c(N)cnc(O)c1Cl,0,GDB ChEMBL
341875,CC(CCn1nccn1)CNc1cccs1,1,GDB ChEMBL
381436,C#CCC1[NH+]=C(N)NCC(COC(C)=O)C1O,0,GDB ChEMBL
376698,CNCC(=O)OCc1sc(N)nc1N,1,GDB ChEMBL
273825,CCCC1[NH2+]CC1CC[NH3+],0,GDB ChEMBL
281054,[NH3+]C1CCCN(Cc2csncc2=O)C1,0,GDB ChEMBL
263498,CCCC1CC(=[NH+]CCCCC(C)C)N(C)C1,0,GDB ChEMBL
81734,CC1(c2ccc(Cl)cn2)COC1,0,GDB ChEMBL
210232,[NH2+]=C1NCCC(O)C(C(=O)[O-])CC1(O)CO,0,GDB ChEMBL
330364,C[NH+]=C(N)OC(CNC(N)=[NH2+])C(C)[NH2+]C,0,GDB ChEMBL
142404,CCC(C1CCCCC1C)C(C)(C#N)C(C)C,0,GDB ChEMBL
8757,C#CC1C2[NH2+]CC2C(CCO)C1[NH+](C)CC,0,GDB ChEMBL
387235,N#CCC1COC2(C(=O)[O-])C(=O)NC12,0,GDB ChEMBL
174922,[NH3+]CCNC1C([NH3+])CC([NH3+])C1O,0,GDB ChEMBL
330077,CCc1c(Cl)ccc(C)c1CC1CCC(C)C1,1,GDB ChEMBL
248674,CC[NH+](C)C1C=CC(CC(C)C(C)C)C1,0,GDB ChEMBL
210161,CC1CCc2c(Br)cccc2C2CC12,1,GDB ChEMBL
135404,OC1(C2=CCC([NH2+]CC3CCCC3)C2)CC1,0,GDB ChEMBL
121067,CN1CC2(C(C)(O)C=NO)CC(C2)NC1=O,0,GDB ChEMBL
179500,CC1COCC2C(C(O)C1)N2C,0,GDB ChEMBL
296294,CCC([NH3+])CC1(OC(C)CC)CC[NH+]=C1N,0,GDB ChEMBL
312570,CS(=O)(=O)NC1CC([NH3+])C2C(O)C12C(=O)[O-],0,GDB ChEMBL
124306,CNC(=O)C1OCC2CC1[NH2+]2,0,GDB ChEMBL
305854,N#CCN1CC(C=O)(C(N)=O)C(=O)CNC1=O,0,GDB ChEMBL
345785,C[NH+]=C(N)C(C)NCCOC,0,GDB ChEMBL
225187,N#CC1(N)C(N)C([NH3+])C1C(O)CC(=O)[O-],0,GDB ChEMBL
284807,CC(CCO)[NH2+]Cc1noc(=O)[nH]1,1,GDB ChEMBL
33865,COc1ccncoc(C(N)=O)c(N)c(=O)n1,0,GDB ChEMBL
236702,C#CCn1ncc(OC2CC[NH+](C)C2C)c1C,0,GDB ChEMBL
204599,C#CCCC1C(C)CC=CCCC1C(C)C,0,GDB ChEMBL
285561,CCC1CCC2(C)CCC=CC2C1C,1,GDB ChEMBL
221159,CN(C(N)=[NH2+])C1C[NH2+]CC(C)(C)CC1O,0,GDB ChEMBL
41154,CC(C)(C)[NH+]1CCNC2(CC2)C1,0,GDB ChEMBL
18659,[NH2+]=CN1CC=CCCCCCC1,0,GDB ChEMBL
382965,C[NH2+]CCCOCC(C)=O,1,GDB ChEMBL
272557,C#CC12CN(CCO1)C(C)C2[NH3+],0,GDB ChEMBL
325867,C=C1CCC2CCCCCC1CC2,0,GDB ChEMBL
43939,CC1CC2CC1CC1CC1c1ccccc12,0,GDB ChEMBL
132514,CC1OC2(C(C)C)C[NH2+]C(CC1O)C2,0,GDB ChEMBL
330950,CC1=CC2C(O)CC(C)[NH2+]CC(C)C2C1,0,GDB ChEMBL
333626,CC1CC(C)(CO)C(C(N)(C#N)C(=O)[O-])[NH2+]1,0,GDB ChEMBL
218333,N#CCNc1cc(N)n[nH]c1=O,1,GDB ChEMBL
366504,OCC1CC12C[NH+]1CCC(CC1)O2,0,GDB ChEMBL
381444,CC1CC(C(=O)CO)COC1Cc1cc[nH]c1,0,GDB ChEMBL
351377,CC(C)(C)C(=O)CC1COCC[NH2+]1,1,GDB ChEMBL
318348,Cc1cc(Cl)c2c(C(C)C=O)csc2c1,1,GDB ChEMBL
277923,N#CC1NC2CC(C(=O)[O-])C3C2N3C1CO,0,GDB ChEMBL
391697,C#CC(=C(C)CCCCC)C(C)C,1,GDB ChEMBL
366066,CCC1CC1CC(C)CC#N,1,GDB ChEMBL
9740,CCc1cc2sccc2c(Br)c1C,1,GDB ChEMBL
215457,CC(C#N)C1CC(=O)NC(=O)NC(=O)O1,1,GDB ChEMBL
384237,CCCN1C(CO)=NCC(O)C(O)CC1C=O,0,GDB ChEMBL
108182,CCC[NH+]1CC=CC2OC2C2CC2C1,0,GDB ChEMBL
278184,Cc1ccc(Cl)c2c1NCC1COCC1=C2,0,GDB ChEMBL
181572,CC(C)CC1(C#N)C(C)OC(CO)C1C[NH3+],0,GDB ChEMBL
130876,N#CC(O)C[NH+]=C(N)CC(=O)[O-],0,GDB ChEMBL
338314,NC1=[NH+]C2CCC[NH2+]C2C1C(=O)[O-],0,GDB ChEMBL
217036,N#CC1C(O)C(C(=O)[O-])C2C(C[NH3+])N12,0,GDB ChEMBL
251891,C=C(C)C(=O)C(C)(OC)C(=O)NC,1,GDB ChEMBL
309690,CC1C2COC(C2)C2C[NH2+]C1C2O,0,GDB ChEMBL
240467,CCC1CC(C)C(CC(C)C)C(C)(C)C1(C)C,0,GDB ChEMBL
155049,CC(CC(C)OC(N)=O)[NH2+]C1CCOC1,0,GDB ChEMBL
81540,CC1CC(CC(N)=O)[NH+]=CN1,0,GDB ChEMBL
229449,Cc1nc(Br)ccc1CC1(C)CC1,1,GDB ChEMBL
94702,N#CC1C(N)CN2C(=O)NCc3c[nH]nc3C12,0,GDB ChEMBL
330155,CC1(C)CC=CCC(O)C1,1,GDB ChEMBL
119973,CNS(=O)(=O)C(C)C([NH3+])CC(C)C[NH3+],0,GDB ChEMBL
277640,CN1CC12C=CC(=O)NCCCC2,0,GDB ChEMBL
46903,CCC(C#N)COC(=O)Nc1nc(C#N)no1,1,GDB ChEMBL
4781,CCC(C[NH3+])C(N)(C[NH3+])C(=O)NC,0,GDB ChEMBL
225239,CCc1cc(C)cc(Cl)c1C(C)C1(C)CC1,1,GDB ChEMBL
240437,CC1C=CC2(C)CC(C1)C2(C)[NH2+]CC(=O)[O-],0,GDB ChEMBL
179180,CCC[NH+]1C(C)CCOCCC2(C)CCC1C2,0,GDB ChEMBL
303371,CC1CCCC(C)C(C(C)C(C)C)C1,0,GDB ChEMBL
372526,C[NH2+]C(CO)C1OC(=[NH2+])NC1C,0,GDB ChEMBL
256007,CS(=O)(=O)NCCCC(N)=[NH2+],1,GDB ChEMBL
71472,CCC1[NH+](C2(C)CCCCC2)CC2CC21C,0,GDB ChEMBL
77019,Cc1cccncc(CCCCO)cnc1,0,GDB ChEMBL
247220,CC[NH+](CCC#CC1CN1)CC(C)C,0,GDB ChEMBL
101939,NC(=O)C1OC(C(=O)[O-])C(O)C2NC12,0,GDB ChEMBL
148780,Cc1c[nH]c(NCCC(=O)[O-])nc1=O,1,GDB ChEMBL
325754,COC1C2C=CC3C(CCC[NH2+]2)C31,0,GDB ChEMBL
113601,C[NH2+]CC1(C)CC([NH3+])C2CC2CC1C,0,GDB ChEMBL
85678,CC([NH3+])C[NH+]=C(N)NCCC(C)(O)C1CO1,0,GDB ChEMBL
107640,CC1(C)OCC2CCC=CC21,1,GDB ChEMBL
66698,Cc1c(CC#N)ccc(OCCC(N)=[NH2+])c1C,0,GDB ChEMBL
180815,CCCC1C(=O)C(O)C1(C)COC(C)=O,0,GDB ChEMBL
375533,CCCC1C=CC(O)C(C)C[NH2+]1,0,GDB ChEMBL
222179,CCc1cc(C)scnc(C(C)C)nc(=O)c1,0,GDB ChEMBL
358838,O=C1CC2C(O)CC3C2N3S(=O)(=O)CCO1,0,GDB ChEMBL
104637,C#CCCC1(CCCCC)CCCCC[NH+]1C,0,GDB ChEMBL
348827,COC(C)C(C)(C)C(C)COCCC#N,1,GDB ChEMBL
67388,CCC12CC(O)(C(=O)O1)C(C=O)NC2=O,0,GDB ChEMBL
211156,CC(O)C1CC2NC(=[NH2+])C1NC2=O,0,GDB ChEMBL
351322,CCCC1(C)C(CCO)CC2(C)CC21,0,GDB ChEMBL
394325,OC(c1ccc(F)cn1)c1ccccc1F,1,GDB ChEMBL
358591,CCC#CCC(CCC)C(=O)C1CC=CC1,0,GDB ChEMBL
305822,CC1(O)CC(O)C(=O)CC1NS(C)(=O)=O,1,GDB ChEMBL
61778,COCCNc1ncncn1,1,GDB ChEMBL
274105,N=C1NCc2nc(c[nH]2)NCC(=O)N1,0,GDB ChEMBL
215480,CCCC1CCCC1C(C)C(C)(CC)C(C)C,0,GDB ChEMBL
331501,C=CC1C(C)CC(C)[NH+]1CC(C)[NH3+],0,GDB ChEMBL
157700,C[NH2+]C1CC(O)C2(C(N)=O)C(=N)OC12,0,GDB ChEMBL
281152,COC(=O)C(=O)NC=O,1,GDB ChEMBL
111907,CC1(C)N=C(CC(=O)[O-])N(CC#N)C1CO,1,GDB ChEMBL
366478,N#CC1OC(=O)C(C(N)C(N)=[NH2+])C1O,0,GDB ChEMBL
203653,CC1COC(C2OCC[NH2+]CC2C(C)(C)O)=N1,0,GDB ChEMBL
92870,Nc1ccc2c(c1Br)C(=O)NCC2,1,GDB ChEMBL
372195,CC1CC2C(C)CCCC([NH2+]1)C1CC21,0,GDB ChEMBL
261338,CN=C1NC(=O)C(CCO)O1,0,GDB ChEMBL
127459,CC[NH+](C)C1CC(N)C([NH3+])C1C1CCOC1,0,GDB ChEMBL
348681,NC(=[NH2+])NC1C2CC1(CO)N(C=O)C(=O)O2,0,GDB ChEMBL
34921,OC1CCC2[NH2+]CC3CC1C2C3,0,GDB ChEMBL
289420,CC(O)C1OCOC(CO)C1O,1,GDB ChEMBL
204208,CC#CCCC1(CN(C)C=O)CC1,1,GDB ChEMBL
108185,CC1NC(C=O)=CC(=O)NCCC1(C)O,0,GDB ChEMBL
217703,C[NH2+]CCNC1CC1CO,1,GDB ChEMBL
305322,CCC1(NCC(F)(F)F)CNC(=[NH2+])C1,0,GDB ChEMBL
271810,CC(CC[NH3+])C1(C(N)=O)OC(=O)C1(C)CO,0,GDB ChEMBL
321825,CNCC1(CO)CN(C(C)=[NH2+])C(=[NH2+])N1,0,GDB ChEMBL
280865,CCCC(C)CN=COC,1,GDB ChEMBL
286322,CCc1cc(CO)ccc1C(C)CN1CC1,1,GDB ChEMBL
228897,CCC1CC[NH+]2CC1(CC)CC1CC12,0,GDB ChEMBL
276281,CC12CCCCC=CCC1C1CC2C1,0,GDB ChEMBL
352849,[NH3+]C1C2OC(=O)N(CC(=O)[O-])C12,1,GDB ChEMBL
230424,CC(C#N)CC(=N)OCCC1CCC[NH2+]1,1,GDB ChEMBL
22856,CC(=O)C12CC(NC(=O)CN1C)C2C#N,0,GDB ChEMBL
229460,CCCC1=CC2(CCCC2)CC1CC,1,GDB ChEMBL
827,CC#CC1CC(C)(OC)CCCN1C=O,0,GDB ChEMBL
370359,CCOCCCCC1OCC([NH2+]C)C(C)C1=O,0,GDB ChEMBL
338347,CC1=Cc2cc(F)c(F)cc2C=CCCC1,1,GDB ChEMBL
109220,C#CCC1CC(C)C(C)CCCC(C)C(C)C1,0,GDB ChEMBL
271865,CN=C(OC(=O)N(C)C)C(=N)NC(=O)OC,1,GDB ChEMBL
274890,COC(=O)C1CN1c1nnn(C)n1,1,GDB ChEMBL
80304,C[NH2+]C(C)C(C)C1CC=CC(C)CC1C,0,GDB ChEMBL
316414,CC(=O)CCNC(=O)CCC(=O)[O-],1,GDB ChEMBL
366610,NC(=O)c1nc(N)nc(=O)nc1[O-],0,GDB ChEMBL
29207,CC1CC2(C(=O)N1)C1C(C)CCN12,0,GDB ChEMBL
278214,O=C1CC(CO)C(O)CS(=O)(=O)C1,0,GDB ChEMBL
67369,COc1nc2c(cc1O)CCO2,1,GDB ChEMBL
382551,CC[NH2+]C1CC=C(C#CCO)C1,0,GDB ChEMBL
83019,[NH2+]=C(CCn1cnc(C=O)cc1=O)NCCO,0,GDB ChEMBL
247506,C[NH+]=C(C)NCCC(=O)N(C)C(=N)N,0,GDB ChEMBL
385453,CCCC1(O)COC(C(N)=O)C1C([NH3+])CN,0,GDB ChEMBL
345457,CC(OCC(=O)[O-])C(CO)OC(N)=O,0,GDB ChEMBL
284775,C#CC[NH2+]C(C)(CC)c1c(Cl)cccc1CC,0,GDB ChEMBL
89354,CCC(C(C)C)C1(CCC[NH2+]C)CC1C,0,GDB ChEMBL
20754,CCC1CCCCC(c2cnoc2)OC1=O,1,GDB ChEMBL
81475,CC(CCCC(C)(C)C)NC=O,1,GDB ChEMBL
84844,CCC([NH3+])(CC[NH3+])Cc1ccsc1NC,0,GDB ChEMBL
289292,O=CN1CCOCCCC(=O)C1,1,GDB ChEMBL
363785,C=CC1C2CC(CC)C1CCC2[NH3+],0,GDB ChEMBL
201698,C#CC1C2CCc3cc(F)cc(c32)C1(C)CC,0,GDB ChEMBL
349632,CC(CO)N(C(=N)C(=O)[O-])S(C)(=O)=O,0,GDB ChEMBL
61866,CC(=O)OCC1N2CC([NH3+])C(C2)CC1(C)[NH3+],0,GDB ChEMBL
22473,CN=C(N)NS(=O)(=O)CNCc1cccs1,1,GDB ChEMBL
120544,CCC(CCCCNC(N)=[NH2+])=NO,1,GDB ChEMBL
94861,COc1[nH]cc(C(C)C)nc(C)cc(N)c1C,0,GDB ChEMBL
376979,C#CC(C(N)=O)c1c(N)cc(CCCO)n1C,0,GDB ChEMBL
6537,CC1CC[NH+]2CC(O)C12CCC(N)=O,0,GDB ChEMBL
257455,CC1CC(=O)OCC(O)C(C[NH3+])CC[NH+](C)C1,0,GDB ChEMBL
28992,[NH3+]CCCCn1nncc1[O-],0,GDB ChEMBL
340100,CC[NH2+]CCCC12CC1C(O)C(CC)C[NH2+]2,0,GDB ChEMBL
314108,CC1CC2(C)CCCCC1C([NH2+]CCN)C2O,0,GDB ChEMBL
10634,CC1CCC=C(CC(=O)[O-])C2[NH2+]CC=CC12,0,GDB ChEMBL
309666,CC1CCC2CC2C(C)[NH+]1C,0,GDB ChEMBL
369304,CC(C[NH3+])C(=O)N1CCCC1=N,1,GDB ChEMBL
58468,CCC(O)CC1CC2CC1[NH2+]CC2C,0,GDB ChEMBL
350309,C#CC1=CCC(C)C(C(C)OC)C1O,0,GDB ChEMBL
199022,CCC#CCOCCC1(O)CC(C)(C)C1,1,GDB ChEMBL
366900,CCCC1CC[NH+](C2CC2C)C1,0,GDB ChEMBL
285124,CCC1CCC(C)CCCC(C(N)=O)C(=N)O1,0,GDB ChEMBL
107637,COCCC(C)(O)C(C)(C)[NH3+],1,GDB ChEMBL
391631,C=CCC=CC=CC(C)=CCCC,1,GDB ChEMBL
36161,C#Cc1ccc(C(C)=CC=C)cc1,1,GDB ChEMBL
155124,N#CCC12OCCNC1=NCC2C(O)C(N)=O,0,GDB ChEMBL
354102,C#CCCc1ccc(C)cc1N(C)C,1,GDB ChEMBL
128325,COCCC1(O)CC([NH3+])C=C1C,0,GDB ChEMBL
326419,CCC1(C)CCC(C)C([NH3+])CC1C1CCOC1,0,GDB ChEMBL
114381,COC(=O)NC1C2C([NH3+])(CNS2(=O)=O)C1(C)O,0,GDB ChEMBL
394287,CCOC(C)(C#N)CC([NH3+])c1cc(F)ccn1,0,GDB ChEMBL
125665,OCc1nc(COc2ncc(Br)cn2)no1,1,GDB ChEMBL
261430,C#CCC1CC(O)CC(CCCCCC)C1C,0,GDB ChEMBL
190327,CC#CCC[NH+]=C(COC)NCC(C)[NH3+],0,GDB ChEMBL
228818,CS(=O)(=O)NC1COC(=O)NCC1=O,0,GDB ChEMBL
190494,[NH3+]C(C(=O)[O-])C1C=CC2(CC2)NC1=O,1,GDB ChEMBL
222921,CCCn1cnn2c(=O)c(C(C)=O)cnc12,1,GDB ChEMBL
231090,CN1CC2CC3CC(=O)C(O)(C[NH2+]3)CC2C1=O,0,GDB ChEMBL
96058,CC(O)C1OC(C)C2NC(=O)OC21,0,GDB ChEMBL
292915,C[NH2+]CC(N)C(O)CCNC(=O)NC=N,0,GDB ChEMBL
151099,COC1CCC1(C(N)=O)N(C)C(N)=O,1,GDB ChEMBL
130392,C#Cc1cc2c(nc1C)C(C)C[NH2+]C2,0,GDB ChEMBL
368174,O=C([O-])C1C(=O)OCC2OC1CC2O,0,GDB ChEMBL
137387,CCC1(C2C[NH+](C)C2)CCCO1,0,GDB ChEMBL
255380,C#CCC(C)C(C)COC(=NC(C)C)C(=O)[O-],0,GDB ChEMBL
348705,CC(O)C1CC(C)N2CC2C1C,0,GDB ChEMBL
240510,CC12CC(C)(CCO)C([NH3+])C(CCNC1=O)N2,0,GDB ChEMBL
384271,OCC1CC2[NH2+]Cc3cc(F)cc1c32,0,GDB ChEMBL
358226,C#CC[NH2+]CC=CCC(C)=C(C)C,0,GDB ChEMBL
216553,NC(=O)OCCC[NH+]=C(N)N,0,GDB ChEMBL
296267,CCC#CC(CO)NC(N)=[NH+]CCO,0,GDB ChEMBL
247325,CC#CCC1C2OCCC[NH+]3CCCC3C12,0,GDB ChEMBL
98600,CCOCC(C)(CO)C1(OC)CC1,1,GDB ChEMBL
115994,CCC1(CC2CCCCN(C=O)C2=N)CC1,0,GDB ChEMBL
17519,CCCCC12CCC(CCC(C)C)(C1)C2,0,GDB ChEMBL
8781,CC1OC(C(N)=O)CNC1C(C)([NH3+])CC[NH3+],0,GDB ChEMBL
125541,C[NH2+]CCC1(C)OCCC1C(O)(C#N)C(=O)[O-],0,GDB ChEMBL
34294,C[NH+]=C(N)NCC[NH2+]CCO,0,GDB ChEMBL
252728,CCCC1OCC=CC=C(C)CC12CCC2,0,GDB ChEMBL
130351,CC1OCC(C(=O)[O-])CC1C[NH2+]C(CO)CO,0,GDB ChEMBL
284817,CC1CC1c1ccno1,1,GDB ChEMBL
290289,CC[NH2+]CC1C([NH3+])CC2OC21,0,GDB ChEMBL
126991,CC1CCCC2CCC(C1C)C2CO,0,GDB ChEMBL
368181,COC(=O)N(C)CC1=CC(=O)NC1=N,0,GDB ChEMBL
121532,CC(C)CCC1(CC(=O)[O-])OCOCC1O,0,GDB ChEMBL
121730,CC1CC2C(=O)c3cocc3CNC(=O)N2C1,1,GDB ChEMBL
79515,COC1CC(C(C)O)C2C(=O)NCCC2(O)C1,0,GDB ChEMBL
76734,CCC(CCC1C(C)C(C)CC1(O)C#N)OC,1,GDB ChEMBL
118354,Cc1ccc(Cl)c2c1C(C)C1CC(C1)N2,1,GDB ChEMBL
261417,C#CCC1C2C(C(C)CC)[NH2+]C(C)(C)C12,0,GDB ChEMBL
363249,CC1CC2([NH3+])C(NC1=O)C(O)C([NH3+])C2C(=O)[O-],0,GDB ChEMBL
89360,Cc1c(F)ccc(C(C)(C)[NH2+]C2CC2)c1F,0,GDB ChEMBL
169494,N=C(NC(=O)CO)c1nn[n-]n1,0,GDB ChEMBL
54056,C=CC1CC2CCCC(C#N)[NH+]2C1,0,GDB ChEMBL
70772,COC12CC[NH2+]C(C1)C(O)C2O,0,GDB ChEMBL
43572,CC(C)C(C)c1cccc(I)c1CC(F)(F)F,1,GDB ChEMBL
236557,N#Cc1coc(NC(=O)CNC(N)=[NH2+])n1,1,GDB ChEMBL
208601,N#CC1OCC2C[NH2+]CC1C2,0,GDB ChEMBL
338966,CCCC(C[NH3+])C1OC1C,0,GDB ChEMBL
322967,NC(=O)C1(C=O)C(=O)OCC1O,1,GDB ChEMBL
31793,CC1OCC[NH+]=CN2CCCC(O)C12,0,GDB ChEMBL
156546,CC(OCCC1CCN(C)CC1=O)C(F)(F)F,1,GDB ChEMBL
312878,C#Cc1cncc(F)c1C,1,GDB ChEMBL
321827,Cn1nnc(CNS(C)(=O)=O)c1NCC[NH3+],0,GDB ChEMBL
184466,CNC(=O)CC(O)C(C)NC(=O)OCCO,1,GDB ChEMBL
283289,NC(=[NH2+])NC(C=O)C1C(CO)N1C(N)=O,0,GDB ChEMBL
271526,O=C1OCCCC2CC(O)C12,1,GDB ChEMBL
311328,NC=[NH+]C1COc2c1cc(Cl)c1c2CCC1,0,GDB ChEMBL
363577,CCCCC1C=CC(C(C)C(C)CC)C1C,0,GDB ChEMBL
312556,COC(=O)C1C2CC3CC3C[NH2+]C21,0,GDB ChEMBL
255436,CC(OC(=O)CC#N)c1ccc(O)cn1,1,GDB ChEMBL
51885,NC(=O)NC1CC1(O)C(=O)NCCO,0,GDB ChEMBL
160987,CC1CC(O)(C[NH3+])C(O)C(C)C[NH2+]1,0,GDB ChEMBL
17110,CCCC(C([NH3+])CO)C1CN1,0,GDB ChEMBL
256032,CC[NH2+]C12CCC(=O)OC1C(CC(C)C)C2,0,GDB ChEMBL
197446,C[NH2+]CC(=O)Nc1nn[n-]c1C#N,0,GDB ChEMBL
104966,[NH3+]CCC(C1C([NH3+])C1C[NH3+])[NH+]1CCC1,0,GDB ChEMBL
257446,[NH3+]C1COc2cncc(c2)C#CC2CN2C1,0,GDB ChEMBL
240519,Cc1cc(C)c2c[nH]cc2n1,1,GDB ChEMBL
262311,C#CCOCC(C(=O)C=O)C(CO)[NH2+]C(C)C,0,GDB ChEMBL
338325,CC1CC=CC(CCO)=CC=CCC1,0,GDB ChEMBL
303341,CC([NH3+])(CC(O)C(=O)[O-])C(=O)[O-],1,GDB ChEMBL
156234,CC1C2CCCC3C2CC1(C)C3C,0,GDB ChEMBL
386692,CC1CC(C)C2CC(CC(F)(F)F)CC12,0,GDB ChEMBL
330023,[NH3+]C1C2CCCC1c1c(I)cccc12,0,GDB ChEMBL
288681,CC(=O)N(C(=N)N)C(=N)CS(C)(=O)=O,1,GDB ChEMBL
18324,CCOC1C([NH3+])CC([NH3+])C1C(O)(CO)C(N)=O,0,GDB ChEMBL
249508,CCC1C=CCC12CCCN2CC#N,0,GDB ChEMBL
84995,CCc1cc(CC(C)C)sc1CCC(F)(F)F,1,GDB ChEMBL
288574,COC1CNCC(=O)C2CCC1(CC(=O)[O-])C2,0,GDB ChEMBL
362021,CC1C(O)C2NC(=[NH2+])NC2C1O,0,GDB ChEMBL
301171,CN1C(C(N)=O)C([NH3+])C(O)CC(C)(N)C1C#N,0,GDB ChEMBL
392243,CCN(C)C(CC[NH3+])C1CC1[NH3+],0,GDB ChEMBL
389038,COC1C([NH3+])CCC1C1CCc2ccoc21,0,GDB ChEMBL
54103,CC1COC(=NCC(O)CO)C1[NH3+],0,GDB ChEMBL
60945,CCC[NH2+]CC1(C)CN(C=O)C(=O)CC(=O)N1,0,GDB ChEMBL
142967,C[NH2+]C1CN(S(=O)(=O)CC(C)=O)CC1C,0,GDB ChEMBL
34406,C#CCCCCC(C#C)C(C)C(C)CCC,0,GDB ChEMBL
48537,CCC1(C(N)CNC(N)=[NH2+])NC(=O)C1CO,0,GDB ChEMBL
263415,CCC12CC1C(C)(C(N)=O)CC(C(C)O)[NH2+]2,0,GDB ChEMBL
325247,CC(C)CC1C(C[NH3+])C(C)COC1(C)C,0,GDB ChEMBL
393931,C[NH2+]C1CC2CCCC3(C2)CC13,0,GDB ChEMBL
118684,[NH3+]C12COC(=O)NCCC1(O)C2O,0,GDB ChEMBL
62040,C#CC(C)c1ccc2c(c1Cl)CCCCN2,1,GDB ChEMBL
320323,O=C1NCC2N3CC(CC23CO)O1,0,GDB ChEMBL
339108,CC[NH2+]CC(N)C[NH2+]C,0,GDB ChEMBL
61260,C#CC(C#C)CC1OCCCC(C)C1(C)CC,0,GDB ChEMBL
338528,CC([NH3+])(CO)CC(O)CCCC#N,1,GDB ChEMBL
112873,CC[NH2+]CC1=CC=CC=CC(C)C1,0,GDB ChEMBL
203749,C[NH2+]C(C)C#CCC(CC(=N[O-])C(N)=O)OC,0,GDB ChEMBL
261437,[O-]c1cc(Cl)c2ncsc2c1Cl,0,GDB ChEMBL
35006,CC#CCOC(=O)C1(C)CCCC1O,1,GDB ChEMBL
308217,CN1C2COC(CNC(N)=[NH2+])C21,0,GDB ChEMBL
284364,C=CCC(=O)C(C)(CO)OS(N)(=O)=O,0,GDB ChEMBL
99416,CCC1CC(C)C2[NH2+]CC2C[NH+]1C,0,GDB ChEMBL
50948,[NH3+]Cc1csc2nc(O)cc(Cl)c12,0,GDB ChEMBL
118114,N#CC1C(O)C(O)C(C=O)N1C(N)=[NH2+],0,GDB ChEMBL
124825,C[NH+]=C(NCC(C)(C)CC#N)OCCO,0,GDB ChEMBL
380385,C#CCC(C[NH2+]C)c1cc(C#N)sc1COC,0,GDB ChEMBL
133139,COCC1C[NH2+]C(C(N)=O)C12C=CNS2(=O)=O,0,GDB ChEMBL
68482,CCC(OC)C(C#N)(CC)C1CCC(C)C1O,0,GDB ChEMBL
308006,N#CC12CCC(CCC[NH2+]CCC1(O)CO)N2,0,GDB ChEMBL
134487,CCCC(=[NH2+])NCc1cnc(Cl)c(Cl)c1CC,0,GDB ChEMBL
33900,[NH3+]CC12OC1C1CC(C(=O)N1)C2O,0,GDB ChEMBL
290286,CC(C)[NH2+]C1CC1CC([NH3+])(C[NH3+])CCC[NH3+],0,GDB ChEMBL
366021,C#CCOc1cc(C#C)cc(OC(C)(C)C)c1,1,GDB ChEMBL
262575,CC1CNC2C3C(C(=O)[O-])[NH2+]CC23N1,0,GDB ChEMBL
336625,NC(=[NH2+])N1CCC(O)C2COC2CC1,0,GDB ChEMBL
351128,NC(N)=[NH+]C1COCC2C(=O)OCC(=O)N2C1,0,GDB ChEMBL
75454,CCCC1(O)C(C(C)O)C[NH2+]CC1(C)CC,0,GDB ChEMBL
21852,CC1=C(CC[NH+](C)C)C[NH2+]CC1,0,GDB ChEMBL
155838,C[NH2+]C1C(=O)NC(C)CCC(=N)N(C=O)C1=O,1,GDB ChEMBL
112461,CC(=O)N1CC(C#N)(C2NC2(C)C)C1,0,GDB ChEMBL
377338,O=C1c2ccc(I)cc2CC2CCC12,1,GDB ChEMBL
363825,CC(C=O)[NH2+]CC1CC=CC1,0,GDB ChEMBL
140124,C#CC(C)[NH+]=C(CC(C)CO)NC,0,GDB ChEMBL
352834,CCC1OC(=O)CNC2CC21,1,GDB ChEMBL
160971,C[NH+]=C(C(C)C[NH+](C)C)N(C)CCC(C)C,0,GDB ChEMBL
363587,C#CC1CC2(CCCC(C)CCC2)CC1C#C,0,GDB ChEMBL
89376,CC[NH2+]C1C(NC(N)=O)C(O)C(N)C1C(N)=[NH2+],0,GDB ChEMBL
325721,CCC1=C(C)c2c(F)cccc2CC=C1C,1,GDB ChEMBL
140276,NC=Nc1ncnc(N)c1C(N)=O,0,GDB ChEMBL
10982,C#CCC1OC(=O)CNCCNC(=O)OC1=N,1,GDB ChEMBL
190118,CCC1C(C)CC(O)C(C)(CC)C(C)OC1C,0,GDB ChEMBL
374913,CC1CN(C)C2C(=O)COC2(CO)C(C)CO1,0,GDB ChEMBL
317611,Nc1nc(O)c2c3c1CCC3[NH2+]C2,0,GDB ChEMBL
91225,CN1CC(=O)C2OCC(O)C21,1,GDB ChEMBL
291905,COC1CC(=O)C2CC(CC(C)O)[NH2+]C12,0,GDB ChEMBL
191719,CN=C1OCC2OCCC1[NH+](C)CC(C)C2O,0,GDB ChEMBL
338402,CNC(=O)C1C(O)COC2CC21C(N)=O,0,GDB ChEMBL
207938,CC(CC1(CO)CCOCC1)(NC=[NH2+])C(N)=O,0,GDB ChEMBL
137384,CC1=CCC2CCCC1C(C(C)C)C2,0,GDB ChEMBL
50893,C1=C2C(NCc3ccncn3)=[NH+]CC2CN1,0,GDB ChEMBL
109610,CCN1c2nn(C)cc2NC(C)CC1(C)C,0,GDB ChEMBL
390527,CC[NH2+]CC1C([NH3+])CN(C(C)(C)C[NH2+]C)C1C,0,GDB ChEMBL
181180,C[NH2+]CC1C(C)[NH2+]C2(CC2CCO)C1C[NH3+],0,GDB ChEMBL
240378,C#CC(C)(C)CC(C#N)CC([NH3+])C1CC[NH2+]C1,0,GDB ChEMBL
204838,Cc1nc(N)c(CC(C)O)s1,1,GDB ChEMBL
227529,C[NH2+]C1CC(C)CCC[NH2+]C(C)C1,0,GDB ChEMBL
252051,CC1OC(C(=O)[O-])C(O)(C(N)C#N)CC1CO,0,GDB ChEMBL
289289,CC(=N)N(C(=O)C(N)CO)S(C)(=O)=O,1,GDB ChEMBL
382192,CCNC(C=O)(CO)CNS(C)(=O)=O,1,GDB ChEMBL
250603,CC([NH3+])(CS(N)(=O)=O)C1CC(O)C1,0,GDB ChEMBL
396065,CC(=O)OC12C(N)C(=O)NC(=O)C1(O)C2O,0,GDB ChEMBL
215890,C#CC1CCC(CCO)C1CC,1,GDB ChEMBL
112625,CC(NCC[NH3+])C1OS(=O)(=O)NC1CO,0,GDB ChEMBL
129404,[NH2+]=C1CC(C[NH3+])CC2CCCN12,0,GDB ChEMBL
138338,CCC1C2C=CCC=CC(CC2)C1C,0,GDB ChEMBL
35666,COC1C(c2ccc(Cl)cc2C)C1(C)C,1,GDB ChEMBL
127715,C#CC(C)[NH2+]C1CC(C)(C)[NH+](C)CCC1CC,0,GDB ChEMBL
382956,CCCC(O)CC1(OC)C=C(C)C(=N)OC1,0,GDB ChEMBL
271547,CCC1(C)C(CO)C(C(F)(F)F)N1C,0,GDB ChEMBL
387074,N=c1cc([O-])c(F)cn1CC(=O)[O-],0,GDB ChEMBL
69563,CC1C(COC(=[NH2+])NCC(N)=O)N1C,0,GDB ChEMBL
384838,CCC1CC(CO)C([NH3+])CC1(N)CC#N,0,GDB ChEMBL
66190,C#CC1CCC(O)C1C(CO)[NH+]1CC(O)C1,0,GDB ChEMBL
27012,CC1CC(N(C=O)C2CCC2)C1,1,GDB ChEMBL
395914,CCCCC12C(CC[NH+]1C)CC1(OC)CC12,0,GDB ChEMBL
392234,CC1[NH2+]C2(CO)C(C[NH3+])C2C1O,0,GDB ChEMBL
87521,CCC(O)C1C([NH3+])C1C1CO1,0,GDB ChEMBL
179997,CC1c2ccc(Cl)cc2C2COC3COC312,0,GDB ChEMBL
94719,CC1C2[NH2+]C3C(O)CC(=O)NCC3C12,0,GDB ChEMBL
23650,[NH3+]C(C1=CC[NH2+]C1CO)C(O)C(=O)[O-],0,GDB ChEMBL
368469,CCC1CC([NH3+])(C2CCC2)CC[NH2+]1,0,GDB ChEMBL
164644,Cc1c(Cl)cc(Cl)cc1CC(C)C1CCC1,1,GDB ChEMBL
389081,CCC1(OC)C(=O)NCC12C(O)C2O,0,GDB ChEMBL
260194,C#CC(O)(CC(=O)[O-])C1OC(=O)NC1C[NH3+],0,GDB ChEMBL
382161,CCCC(C)C(CCC1C[NH+](C)C1)OC,0,GDB ChEMBL
288660,CC1NC(=O)C(C(C)(C)CO)OCCC1[NH3+],0,GDB ChEMBL
288568,C[NH2+]C(C)(CC#N)CC1(C)CC[NH2+]C(CO)C1,0,GDB ChEMBL
319833,C#CCC(O)(C[NH+]=C(N)NC(C)C)C1CC1,0,GDB ChEMBL
13860,C#CC(C)C(CC[NH3+])CC1C[NH2+]C(C)C1,0,GDB ChEMBL
331169,CCC(C)Cc1cc(C)c(C(C)C[NH3+])c(Br)c1,0,GDB ChEMBL
366913,CCC[NH2+]CC1C(O)C1CC,0,GDB ChEMBL
333685,CC[NH+]1CCC2C(O)CCC3OCCC32CC1,0,GDB ChEMBL
34898,O=C1CC2CC2C1C(=O)NCCO,1,GDB ChEMBL
148402,NC(=O)C1C2CC1(C(N)=O)[NH+]1CCCCC21,0,GDB ChEMBL
48098,CC(CC(=O)C#N)C1CC[NH2+]C1,0,GDB ChEMBL
127687,C#CCC1(CC)CCCCC(C2CCCC2)C1,1,GDB ChEMBL
23599,C=CCCC=C(C)C1CC2CC2C1,1,GDB ChEMBL
173896,Cc1nc(C)c(C)cccco1,0,GDB ChEMBL
26397,CCN1CC2(C1)CN(C)C(=O)CN2,1,GDB ChEMBL
116399,CCCCC1CC2CC=C(C)C21CC(C)C,0,GDB ChEMBL
286263,Cc1csc(C(C)NC=[NH+]CC(C)(C)O)n1,0,GDB ChEMBL
190298,CCC(=O)NC1CS(=O)(=O)N2CC2C1[NH3+],0,GDB ChEMBL
319369,Cn1ncc(C#CCO)c1OC(N)=O,1,GDB ChEMBL
258326,C#CC(C)CCOC(CC[NH3+])C(C)C,0,GDB ChEMBL
312523,CCC1(CC)CC2CC(C(=O)N1)[NH+]2C(C)C,0,GDB ChEMBL
222113,C[NH+](C)Cc1ccn2c1CCC2,0,GDB ChEMBL
127229,CC1C(O)CC2[NH2+]CC3OCC1C23,0,GDB ChEMBL
354354,C[NH2+]CCCN(C)c1csccccc(C)c1,0,GDB ChEMBL
59239,CCCC([NH2+]C)C(OC(C)=O)C(N)S(=O)(=O)[O-],0,GDB ChEMBL
119670,COC(=O)CC(NC(N)=[NH2+])C1NCC1=NO,0,GDB ChEMBL
184243,C#CC1C(CCO)CC(C)C1CCC,0,GDB ChEMBL
103946,CC(=O)NC(C#N)C(N)CC(CO)NC=[NH2+],0,GDB ChEMBL
182107,CCC(CC(C)(O)C=O)OC,1,GDB ChEMBL
195533,CC1([NH3+])CC2C(=O)[N-]C1C2C#N,0,GDB ChEMBL
47551,CCC1CC=Cc2ccccc2CC1CC,0,GDB ChEMBL
134416,CN1C=NC2CC(NC2C#N)C1=O,0,GDB ChEMBL
202515,[NH3+]C(CNC1(C(=O)[O-])COC1=O)CC(=O)[O-],0,GDB ChEMBL
283997,CC1=CCCCC2C([NH3+])CCC12,0,GDB ChEMBL
13886,CCC(C)CCOC1CCC(CC)(C(C)C)C1,1,GDB ChEMBL
276148,CC12CC1C[NH+](CCO)C1CCCC12,0,GDB ChEMBL
38467,NC(=O)C1(O)CC([NH3+])C2OC2C1,0,GDB ChEMBL
80258,CCOC(=O)C(OC)C(CC(C)[NH2+]C)=N[O-],0,GDB ChEMBL
84566,NC(=O)c1c([N+](=O)[O-])cc(I)nc1O,1,GDB ChEMBL
379146,C=CCC1[NH2+]C2CC1CCC2C#N,0,GDB ChEMBL
336047,O=C(CO)NCCC1CC[NH2+]1,0,GDB ChEMBL
355383,CC12[NH2+]CC(C=C1CO)C(C(N)=O)C2N,0,GDB ChEMBL
271582,NC(=O)C(N)C(O)C1COC(N)=N1,1,GDB ChEMBL
299759,COC1OC(=O)N2C1C2C([NH3+])C(=O)[O-],0,GDB ChEMBL
385657,C#CC1=CCS(=O)(=O)N(C)CC1,1,GDB ChEMBL
300256,CCCC(C)OC1C2CCC1[NH2+]2,0,GDB ChEMBL
317574,CC([NH3+])CC(C)CC1C=CCN(C)S1(=O)=O,0,GDB ChEMBL
382554,CC1CCC=Cc2c(Cl)cccc21,1,GDB ChEMBL
331464,C[NH2+]C1C2COC1C(OC)C2[NH+](C)C,0,GDB ChEMBL
198794,CCC(O)CCCC1C2OC1C1CC12,0,GDB ChEMBL
332659,C#CCC1CCc2cc(C3CC3)cc(Br)c21,1,GDB ChEMBL
63130,CC1[NH2+]C2(CO)CC2(C(=O)[O-])C1C(N)C[NH3+],0,GDB ChEMBL
162497,CC=CCC(CC1CC1)CC1CC1,1,GDB ChEMBL
41061,CC1C2OC(CNC2=O)CC1(C)CO,0,GDB ChEMBL
338356,CNC(=O)NC(C[NH3+])=NCC(C)[NH3+],0,GDB ChEMBL
398727,CC(O)CCC1(O)CCCC1C(C)C,1,GDB ChEMBL
305539,COC1CC2[NH2+]CC=CC2C1C(=O)[O-],0,GDB ChEMBL
324058,C[NH2+]C(C1CO1)C(N)C(=O)[O-],0,GDB ChEMBL
61829,C#CCCCCC1=NCCC(CO)O1,0,GDB ChEMBL
104462,C#CC1CNC(=[NH2+])OC(C)C1=O,0,GDB ChEMBL
173137,CC1(CCCCCC2(C)CC2)CC1,1,GDB ChEMBL
262330,CCCCC1([NH3+])CC(C)(OC)C1,0,GDB ChEMBL
118850,CC1CCc2ccc(Cl)cc2CC=C1C#N,0,GDB ChEMBL
29446,C[NH2+]C1CC2CCC(C)C(O)C2C1,0,GDB ChEMBL
71700,CC1[NH2+]C2C(C(N)=O)CC3C1C32,0,GDB ChEMBL
235660,CC1(C)CC2CCCCC(C)(CCCC2)C1,0,GDB ChEMBL
259431,CC1CNc2cccc(I)c2C2C(CO)C12,0,GDB ChEMBL
235924,CNC(=[NH2+])CC(C)CO,0,GDB ChEMBL
175875,CCN(C)CC(C#N)CC(C)(O)C[NH2+]C,0,GDB ChEMBL
389362,CC1CC2CC=CC(C1=O)C(C(C)O)C2,0,GDB ChEMBL
34307,CN1CC2CC(O)C3OC23C1CS(N)(=O)=O,0,GDB ChEMBL
263283,O=C1NCCNc2c1sc1nccn21,1,GDB ChEMBL
247372,Cc1cc(C)cc(NC2(C)CC2(C)C)c1,1,GDB ChEMBL
345766,CC1=NC2(CC2)c2cccc(Cl)c2N1C,1,GDB ChEMBL
75449,COC1CN=C2C1NC(=[NH2+])N2C(C)C,0,GDB ChEMBL
109173,CC([NH3+])C(=O)NC1COCC23OCCC2C13,0,GDB ChEMBL
258021,CC12Cc3c(I)cccc3C(C1)C2,1,GDB ChEMBL
83037,CC1(C)C2c3ncncc3CN21,1,GDB ChEMBL
155130,CCC1(C)CCCC(C)C1C(C)C(C)C,1,GDB ChEMBL
304133,COC1C2(CO)CS(=O)(=O)NC12C([NH3+])C(C)O,0,GDB ChEMBL
338280,CN(C=O)c1nc(C(N)=O)cs1,1,GDB ChEMBL
300470,CC(CCC1COC(=O)N1CCO)C(=O)[O-],0,GDB ChEMBL
378274,O=C1NCCN2CCN=C(C2)O1,1,GDB ChEMBL
33254,CC1=[NH+]C2C(C)c3ccc(Br)cc3C2N1C,0,GDB ChEMBL
45004,COC1CC2CC1(C)CC2C,1,GDB ChEMBL
17332,C#CCC(C#N)(C#N)C(=O)[N-]CC=O,0,GDB ChEMBL
290302,CCC1C(O)C2C(C)C2[NH+]1C,0,GDB ChEMBL
137424,C[NH2+]C1CC1C(C[NH3+])(OC)C(C)CCC#N,0,GDB ChEMBL
227614,NC1=[NH+]C(CC(=O)[O-])C2CC12,0,GDB ChEMBL
97092,CCN1CCNC(=O)C2NC2S(=O)(=O)CC1,0,GDB ChEMBL
276133,CCNC12CC1C(C)(CCOC)OC2=N,0,GDB ChEMBL
214887,CCC1(CCO)NCCC(CO)CC1=O,0,GDB ChEMBL
377920,CC1([NH3+])CC(CO)OC2C(=O)OC1C2O,0,GDB ChEMBL
201463,CC[NH+](CCCO)CCC1(CC)OC1CO,0,GDB ChEMBL
210147,CC(CN(C)C(N)=[NH2+])C(=O)[O-],1,GDB ChEMBL
23668,C[NH2+]C(C)C12CCC1C(C)CC2(C)[NH3+],0,GDB ChEMBL
244496,C#CC([NH3+])CC(C#C)N1CC([NH2+]C)C1,0,GDB ChEMBL
125681,Cc1cc(C=O)c2c(c1O)C=C(CO)CC2,0,GDB ChEMBL
29224,CCC1(C=N[O-])OC(=O)N(C)CCNC1=O,0,GDB ChEMBL
395628,C#CCc1ccnn1CC[NH2+]C1CC1,0,GDB ChEMBL
201069,C#CCNS(=O)(=O)CC(CC)CS(N)(=O)=O,0,GDB ChEMBL
67387,[NH3+]C1COC2CC1NC(=O)C1OC1C2,0,GDB ChEMBL
233412,CC12C=CCC1C2c1cccc(Cl)c1,0,GDB ChEMBL
63125,CNC(=O)NCCS(=O)(=O)c1coc(C)c1,1,GDB ChEMBL
354597,CCOC1C[NH+]=C(N)N(C)C1C(C)C=NO,0,GDB ChEMBL
9911,CC(=O)OC1CC1OCCc1nonc1N,1,GDB ChEMBL
5904,C#CCCS(=O)(=O)[N-]C(=O)CC(N)=O,0,GDB ChEMBL
360987,CC#CC(C)(O)CCCC,1,GDB ChEMBL
290102,CCC(O)C1C(=O)NCC1[NH3+],0,GDB ChEMBL
265491,C1OCC2CC3C[NH+]2CC1O3,0,GDB ChEMBL
248601,NC(=[NH2+])CC1(CS(N)(=O)=O)C2C(=O)NC(=O)C21,0,GDB ChEMBL
222148,CC(O)C1CC(=O)CNCC1=O,1,GDB ChEMBL
284687,CNC(=[NH+]C)C(C)(N)CC(=O)OC,0,GDB ChEMBL
84913,CC1CC2C(CO)C1CC2(C)C,0,GDB ChEMBL
190806,CC1CCC2CC([NH3+])C1(C)CC2O,0,GDB ChEMBL
368192,C#Cc1c(C)cc(C)c(F)c1C(C)CC(C)C,0,GDB ChEMBL
372748,C#CCC1CC1CC(C)[NH2+]C,0,GDB ChEMBL
315200,C=C(C)C[NH2+]CC1C=CC(=O)CC1,0,GDB ChEMBL
24251,Cc1cc(Cl)cc2c1C(C)C1(CC(C)C1)O2,1,GDB ChEMBL
61793,CC1(C(N)=O)OC(=[NH2+])NCC1O,0,GDB ChEMBL
21532,CCOc1ccccc1C,1,GDB ChEMBL
338816,CCC1CCC=CC12CC2[NH2+]C,0,GDB ChEMBL
5906,CCC(C(C#N)(C#N)CC)C(C)([NH2+]C)C(N)=O,0,GDB ChEMBL
94711,C=CCC1C2CCC(CC2)C1(C)C,1,GDB ChEMBL
379384,Cn1nc2c(c1C(=O)[O-])NCC=CCO2,0,GDB ChEMBL
79384,Cc1cc(O)cnc1C1(C(C)C)COC1,0,GDB ChEMBL
318335,C[NH+](C)CC1NC(=N)S(=O)(=O)[N-]C1=O,0,GDB ChEMBL
21540,Cn1c(N)[nH+]c(CO)c1NC(N)=[NH2+],0,GDB ChEMBL
274948,[NH3+]Cc1ccc(C2CC2C2CO2)nc1,0,GDB ChEMBL
22630,CCCC(CCC)n1cc(C(C)C)nc1O,0,GDB ChEMBL
64363,CCC(C[NH2+]C(C)(C)CC)CC1CC(O)C1,0,GDB ChEMBL
251034,CCCCCCCC1(C)CCC2CC21,1,GDB ChEMBL
249407,C=CC12CC13CC(CO3)N(C)C2=O,0,GDB ChEMBL
156206,CCN1C2CCNC2(C#N)C1C(C)O,0,GDB ChEMBL
4910,CNc1cc(C)nc(O)c1Br,1,GDB ChEMBL
256036,O=C1CCNC(=O)C2C3OC3C(O)C12,0,GDB ChEMBL
389396,N#CCC1Cc2ccccc2C=CC2CC21,0,GDB ChEMBL
266216,COC1CNC(=O)C2C(C1[NH3+])N2C,0,GDB ChEMBL
40318,CCC1(CC(=O)[O-])CC([NH3+])CNC=[NH+]1,0,GDB ChEMBL
100999,Cc1sc(CCC(C)C)nc1OC(C)C,1,GDB ChEMBL
217065,CC1CCCC(O)C(=O)NC2CC1C2,1,GDB ChEMBL
132473,CC(CO)OC1C([NH3+])C1(CO)C(=O)[O-],0,GDB ChEMBL
119920,CC1(C)OC(=[NH2+])NC12CC1CC2CC[NH2+]1,0,GDB ChEMBL
345399,CCCCCC(C)COc1cc(O)coc1=N,0,GDB ChEMBL
390498,C#CCC(CC)c1cc(Br)cc(CCC)c1C,1,GDB ChEMBL
203879,Cc1cocncc(CC[NH3+])cn1,0,GDB ChEMBL
44689,CCNc1nsc(S(N)(=O)=O)c1NC,1,GDB ChEMBL
27978,CCC(CC1CC(C)C[NH+]1C)n1ccc(N)n1,0,GDB ChEMBL
256012,Cc1nc2nccc2c2nccc(C#N)nc12,0,GDB ChEMBL
197055,C[NH2+]C1CC2(C(N)=[NH2+])C(N)COC2C1C(=O)[O-],0,GDB ChEMBL
333850,CCC1C2CC(C)CC(C2C[NH3+])C1(C)C,0,GDB ChEMBL
317204,CC1CC(C[NH2+]CCO)S(=O)(=O)N1,0,GDB ChEMBL
230387,CC(C)NC(=O)CC#CC=O,1,GDB ChEMBL
246378,CCNC(=O)OC(C)C(C)(OC)C1OCCO1,1,GDB ChEMBL
311617,NC1(CNC(C(=O)[O-])C(O)CO)C([NH3+])C1O,0,GDB ChEMBL
234453,O=C1NC2CC3(CO3)C(O1)C2O,0,GDB ChEMBL
127173,C#CCc1ccnc(C(F)(F)F)c1F,1,GDB ChEMBL
326449,NC(=O)C(=O)NC(CCO)C(N)=O,1,GDB ChEMBL
9676,CC(C)C1C2CC(C[NH3+])C(C2)C2CCC[NH+]21,0,GDB ChEMBL
385387,CC(C)(C)[NH2+]C1CC1C#N,0,GDB ChEMBL
46939,C[NH2+]CC(CC(C)O)C1CCC([NH3+])C1,0,GDB ChEMBL
326433,Cc1noc(C2CC2)c1CC1OC1C,1,GDB ChEMBL
149432,Cn1ccc(C#CCNC=[NH+]C(C)(C)C)n1,0,GDB ChEMBL
317555,[NH3+]CC12CCC(OC1)C2c1ccc(F)cc1,0,GDB ChEMBL
176397,CC1(C#N)C(C=O)N1CC(N)=O,0,GDB ChEMBL
296992,C#Cc1c(Cl)ccc(Cl)c1C(C)(C)C,1,GDB ChEMBL
107670,CC1C=CC2CNC(=O)C1CCC21CC1[NH3+],0,GDB ChEMBL
80198,CC1(C[NH3+])[N-]C(=O)C(N)C(C#N)C1C[NH3+],0,GDB ChEMBL
310746,CNC(=O)NC(C)C(=O)C(=N)OCC#N,1,GDB ChEMBL
130652,O=CCCC1[NH2+]CC2CC2C1O,0,GDB ChEMBL
202516,CCN1C(=O)C(O)CC12CC2[NH3+],0,GDB ChEMBL
68646,CC(O)C(NC(N)=O)C([NH3+])C(O)C(=O)[O-],0,GDB ChEMBL
307860,C#CC(CC)C1CC(COC)[NH2+]1,0,GDB ChEMBL
184487,CC1CCCCCC2C1CC(C=O)C21CC1,0,GDB ChEMBL
113595,C[NH+]=C(N)NCC1(C)OC(=O)C(=O)N(C)C1=O,0,GDB ChEMBL
278177,CC(C)CC(C)COC12CC(C[NH+](C)C1)C2,0,GDB ChEMBL
289805,CC1(C)CN(c2c(O)ccc(O)c2C#N)C1,1,GDB ChEMBL
31320,CCC1(C)CCCCC1c1c(O)cccc1Cl,1,GDB ChEMBL
61987,CCCC1[NH2+]C2CC(CCC2C)C1C,0,GDB ChEMBL
136441,CC(CO)(C(=O)[O-])C1CCCC(C#N)OC1=N,0,GDB ChEMBL
358911,OC1CC[NH2+]C12CCC2,0,GDB ChEMBL
362617,CC(C#N)(C=O)NC1CC1CC(O)C(N)=O,0,GDB ChEMBL
249870,CC1CC2CCCC=CC1=CC1[NH2+]CCC21,0,GDB ChEMBL
252078,CC(O)C1C2CCC(C(N)=O)C1C2,0,GDB ChEMBL
394377,CCC(C)CC1CCCC(C)C=CC1C,0,GDB ChEMBL
361138,C#CCCc1oc(C)cc1N(C)C(C)=O,1,GDB ChEMBL
280866,N#CCOc1noc(C(=O)[O-])c1[O-],0,GDB ChEMBL
290547,CCOCC1(O)C=CC[NH+](C)CC(C[NH3+])C1,0,GDB ChEMBL
115175,CC1CC(C)(C)CC([NH3+])C(=O)NC(C)(C)C[NH2+]1,0,GDB ChEMBL
274241,CC1CC2[NH2+]C1C1CC(=O)CCC21,0,GDB ChEMBL
337069,CC1CCCC1C[NH2+]CC1CC1,0,GDB ChEMBL
209691,CC1CCN2C(=O)CC3OC(CC([NH3+])C1)C32,0,GDB ChEMBL
150086,CCC1C2CCC(C(O)C2)C2CC12,0,GDB ChEMBL
308156,CC1CC2([NH3+])C(C)NCC(=O)OC2C1[NH3+],0,GDB ChEMBL
177345,C#CC1c2ccc(C)cc2CC1C(C)CC#N,0,GDB ChEMBL
116010,C#CC(COC)C(N)C#N,1,GDB ChEMBL
136151,NC(=O)OC1(C(O)CCO)CC1C(=O)[O-],0,GDB ChEMBL
20086,COC(C)C1CCC(O)C=CCC1(C)C,0,GDB ChEMBL
99091,CCCCc1c(N)nc([O-])n(C)c1=O,0,GDB ChEMBL
215261,NC1Cn2ncc(C[NH3+])c2CN(CCO)C1=[NH2+],0,GDB ChEMBL
30318,CC1C(C)C1(C=O)CCO,0,GDB ChEMBL
252664,Nc1c(O)nc2[nH]nc(C[NH3+])c2c1NCCO,0,GDB ChEMBL
370332,C=CC(C[NH3+])CCOC1(C)COC1,0,GDB ChEMBL
391819,C[NH2+]C1CCC2CC=C(C)C(C1)C(C)CC2,0,GDB ChEMBL
115447,CC1(Nc2cccc(Br)n2)CC(CC[NH3+])C1,0,GDB ChEMBL
133332,CC1([NH3+])C[NH2+]CC2COCC2C1,0,GDB ChEMBL
45074,CC(=[NH2+])N1CC1(CNC(=O)C(N)=O)C(=O)[O-],0,GDB ChEMBL
32042,C#CCC(C)C1CC(C[NH2+]C)CC(C)C(C)C1,0,GDB ChEMBL
392730,COc1cc2n(c1N)CCC2,1,GDB ChEMBL
323180,COCC(CC(C)(C)C)OCc1ccns1,1,GDB ChEMBL
261419,CCC(CN1CCNC(=O)C(O)C1)=NO,1,GDB ChEMBL
65901,CC(O)C1C2C(C)CCC([NH3+])C12,0,GDB ChEMBL
159858,C#CC(C)(C)c1cc(I)c(CCC)c(C[NH3+])c1,0,GDB ChEMBL
284787,NC(=[NH2+])N1CCC1(C(N)=O)C(N)=O,0,GDB ChEMBL
8637,Cc1c(CCC[NH3+])c(O)cc2ccccc12,0,GDB ChEMBL
260164,CC1[NH2+]CCCNC=C1C(N)=O,0,GDB ChEMBL
274058,CCC(CC(C)O)C(C)CO,1,GDB ChEMBL
16547,C#CC1(O)CCC(C)C([C-](C#N)C#N)C(O)C1,0,GDB ChEMBL
255480,CCCN(CC1=NOS(=O)(=O)N1C)C(C)=O,0,GDB ChEMBL
114369,C#CC1=Cc2cc(Cl)ccc2CC2CCC12,0,GDB ChEMBL
366056,COC1C(CO)C12[NH2+]CCC2C[NH3+],0,GDB ChEMBL
333636,CC[NH+]1CCCCCC2OC2CCC1,0,GDB ChEMBL
242992,C[NH2+]CCC(N)=[NH2+],0,GDB ChEMBL
67593,CC(C)CN(C=O)C1CCC(C)C[NH2+]C1,0,GDB ChEMBL
286261,CNc1c(F)c(C)cc(F)c1F,1,GDB ChEMBL
391315,CCCN(C=O)CCC1(C)CC([NH+](C)C)C1,0,GDB ChEMBL
240452,Nc1cc2c(o1)CNC(CO)C(C[NH3+])OC2=O,0,GDB ChEMBL
391739,COCCN=CNC(=O)c1nncn1C,1,GDB ChEMBL
41109,Cc1cc(C(C)C2([NH3+])CCC2)cnc1Cl,0,GDB ChEMBL
93454,CC1OC2CC1OC(=O)C2(C=O)CO,0,GDB ChEMBL
284004,CCC([NH3+])CNC(=O)OC1(C)CC1S(=O)(=O)[O-],0,GDB ChEMBL
330133,CCc1cc(C)oc(=O)c1N,1,GDB ChEMBL
206810,CCc1ncc(C(C)(C)OC(C)C)nn1,1,GDB ChEMBL
35285,CCC1[NH2+]C(CC#N)CC1CC(C)(C)C,0,GDB ChEMBL
398208,N=C1[N-]C(=O)OC2COC(O1)C(O)C2O,0,GDB ChEMBL
153722,C#CCC(O)C1(C(C)C)C([NH3+])CCC1CC#N,0,GDB ChEMBL
314126,CCC12CCOCCOCC=C(CC1)CC2,1,GDB ChEMBL
202799,O=CC1C=CC(=O)OCC1,1,GDB ChEMBL
77848,CC(O)C1C(O)CC2(C)CNC(=O)C1N2,0,GDB ChEMBL
238545,CCC(CN=c1cc(C)c(Cl)n[nH]1)C(F)(F)F,0,GDB ChEMBL
181551,CCC(C)(CC)[NH2+]C1CC1C,0,GDB ChEMBL
330088,Cc1cc(C#CCCO)n[nH]1,1,GDB ChEMBL
280877,Cc1ccc(CC(=O)N(C)C)o1,1,GDB ChEMBL
305084,C#CC(C)([NH2+]CC)c1cc(F)c(F)cc1C,0,GDB ChEMBL
47373,CCC12CC(=O)C=CC(CC(C)C(O)C1)O2,0,GDB ChEMBL
392226,CCCC1[NH2+]C(CC(C)C)(C(C)O)CC1C,0,GDB ChEMBL
372171,CC1C=CCOCCCOC1,1,GDB ChEMBL
92314,NC(=[NH2+])C(O)C(O)C1CNC(=O)N1,0,GDB ChEMBL
368519,CCC1CC(C)CC2(C)COC1C2,0,GDB ChEMBL
33511,CCCC1CCC=CC=CCCC=C(C)C1,0,GDB ChEMBL
281809,O=C1CCCC#CC(O)CC(=O)N1,1,GDB ChEMBL
207396,C#CC1C[NH2+]C(CO)C(CCO)CC([NH3+])CO1,0,GDB ChEMBL
317547,CC#CC(CC)[NH+](C)C(C)C,0,GDB ChEMBL
144614,Cc1cc(Nc2ncn[nH]2)nc(N)n1,1,GDB ChEMBL
28365,C[NH+](C)CCCC1CC2CC(C)(C)C1(C)[NH+]2C,0,GDB ChEMBL
398725,CN(C(=O)NC(=N)N)C(=O)C1C([NH3+])CCC1[NH3+],0,GDB ChEMBL
312546,NC12CCOCCC1([NH3+])C2CO,0,GDB ChEMBL
61255,CC(N)C(=O)NC(=O)c1cn[n-]n1,0,GDB ChEMBL
235645,CCC(=O)NC(=N)Oc1cc(C[NH3+])ncn1,0,GDB ChEMBL
285580,CCC1CC2OCC1(C)C=CCC2[NH3+],0,GDB ChEMBL
49173,CC([NH3+])CC(C)(O)CC1CO1,1,GDB ChEMBL
295908,CC1CC2(CCC[NH2+]2)C(=O)OCc2cscc21,0,GDB ChEMBL
186590,CC1CCC(C23CC[NH2+]C2C3C[NH3+])C(O)C1,0,GDB ChEMBL
130209,CC(C)C(C)C(C)[NH+]1C2CCCCC21,0,GDB ChEMBL
173933,NC(=O)CCC(CC[NH3+])NC=[NH2+],0,GDB ChEMBL
339103,C#CC(C)c1cccc(CC)c1C#N,1,GDB ChEMBL
214026,C#CCC1(C)C=CC(=O)C1(CC(C)C)OC,1,GDB ChEMBL
370307,C#CCC1CC=C2c3cccc(C)c3CC21,1,GDB ChEMBL
316306,CC(C)CCCc1c(F)ccc(F)c1F,1,GDB ChEMBL
35690,NC(=[NH2+])CN(c1cc[nH+]cc1)C1CC1,0,GDB ChEMBL
98898,N#CC(CNC(N)=O)Cn1cnnn1,1,GDB ChEMBL
235671,CC(C[NH3+])CC1CC2C[NH+](C)C1(CO)C2,0,GDB ChEMBL
159742,N#CC1NCCC(=O)OC=NCC1O,0,GDB ChEMBL
345370,[NH3+]Cc1cc[nH]c(=O)c1NCc1ccno1,0,GDB ChEMBL
147231,CCC#CC1OC(=O)C(O)C1[NH3+],0,GDB ChEMBL
132462,CC(CCOC(N)=[NH2+])C(N)=O,0,GDB ChEMBL
169481,CC1COCC(O)c2cnc(NC(N)=O)n21,0,GDB ChEMBL
388417,CNC(=O)c1[nH]c(=O)c(Br)cc1N,1,GDB ChEMBL
182931,NC(=O)C1CC2(C[NH2+]1)C([NH3+])C2O,0,GDB ChEMBL
293833,CCCC(C(C#CCCO)=NO)C(C)(C)C,0,GDB ChEMBL
374912,CC(C1=CCC([NH3+])CC1)C(C1CC1)[NH+](C)C,0,GDB ChEMBL
209710,C1=CCc2cnccc2C=CC1,1,GDB ChEMBL
193215,CC1CC2OC1C(O)C2CO,0,GDB ChEMBL
207931,CC1OCC1CC[NH3+],0,GDB ChEMBL
351441,COC1(CO)CNC1C[NH3+],0,GDB ChEMBL
372508,C#CC(CC)(C[NH+](C)C)c1ccccc1Br,0,GDB ChEMBL
40344,CC#CCC([NH3+])C1C(C)C12CNC(=O)O2,0,GDB ChEMBL
127758,CCC1C[NH2+]CC(C#N)=C(C)C1,0,GDB ChEMBL
227535,CC(=[NH2+])N(C)C(C)C(=O)[O-],1,GDB ChEMBL
308158,Nc1ncc(C2CC=CC[NH2+]2)s1,0,GDB ChEMBL
190431,CCN1CC2NC(=O)C1C2(C[NH3+])NC(N)=O,0,GDB ChEMBL
304855,C[NH2+]C1CC2(O)CCC1C(=O)C1CC2CO1,0,GDB ChEMBL
220167,O=C1NCC2CCOC2CO1,1,GDB ChEMBL
76717,CNC(=O)CC12CC(C(=O)O1)C(O)CC2[NH3+],0,GDB ChEMBL
274253,C[NH2+]CC(Cc1cc(Cl)c(O)nc1C)C(N)=O,0,GDB ChEMBL
207303,CCOC1C(C)C2CCC(C)C(C2)CC1(C)C,0,GDB ChEMBL
53728,COCC1C[NH2+]C2CC1(CCC(C)(C)O)C2,0,GDB ChEMBL
185929,COCC(=O)NC(CO)(CO)CCC(N)=O,1,GDB ChEMBL
246796,CC1(C)C(=O)CC2OCC=C21,1,GDB ChEMBL
260183,C[NH2+]CC(=O)N(C)C(N)=Nc1ccc(C)n1C,0,GDB ChEMBL
262215,CCn1cccc1CC[NH+]1CC=CC1CO,0,GDB ChEMBL
274408,CCC1OC(COC)CCC2N=C1N(C)C2=O,0,GDB ChEMBL
260721,CC1=CC(=O)N(C2=NC3CC(=O)C(C3)N2)C1,0,GDB ChEMBL
18834,CC1CCC23C4CCC[NH+](C)C4CC2C3C1,0,GDB ChEMBL
305816,CCC1=CC(=O)C2(O)C1C2(C)C[NH2+]C(C)C,0,GDB ChEMBL
29204,CCCCCCC1C(C)C2CC(=O)CC2C1C,0,GDB ChEMBL
84565,CC1CC2(O)C3CC(O)C2[NH+]1C3,0,GDB ChEMBL
252103,CC(O)C(COC(N)=O)OC=O,1,GDB ChEMBL
38935,C#CC1(O)CC1(C(C)CCO)C(F)(F)F,0,GDB ChEMBL
47518,C#CC(O)C(=O)N1CC(CC)NC(=O)C(O)C1,1,GDB ChEMBL
310812,CCC1OCC2C(O)CCC12C,0,GDB ChEMBL
119422,C#CCCC1CCCCCC(C)(O)C1[NH3+],0,GDB ChEMBL
355290,CC(O)C1C(C#N)C1NC1CC1,1,GDB ChEMBL
61562,CCC(OC)C1CC2C(OC)CC(O1)C2(C)C,0,GDB ChEMBL
170299,COC1C(O)C=CC(=O)C1O,1,GDB ChEMBL
346541,CC1CC2(CO)CC1C[NH2+]2,0,GDB ChEMBL
297263,C#CC(C)(C)c1cccc(NCC)c1,1,GDB ChEMBL
289260,NS(=O)(=O)CC(O)C1C[NH2+]C1C(=O)[O-],0,GDB ChEMBL
92877,CCNC(C#N)CC1(O)C(C=O)C1CO,0,GDB ChEMBL
254963,CCCC1C=CCc2c1ccc(OC)c2C,0,GDB ChEMBL
173919,CCNC(=O)C1=CN(C(=[NH2+])NC)CC1,0,GDB ChEMBL
288913,Cn1ncnc1C(C)(C=O)C1CC(O)CC[NH2+]1,0,GDB ChEMBL
121953,CCC1CC=CCC(C)C2CC12,0,GDB ChEMBL
57325,C#CC(C[NH+]1CCCCC1(CO)CO)OC,0,GDB ChEMBL
203896,CC1C2C3CC(=O)CC(C)(CN1C(N)=[NH2+])C32,0,GDB ChEMBL
303868,C=CC1CC[NH2+]C(C)CC(O)C1O,0,GDB ChEMBL
12795,C#CC(O)(C#C)CC(C)=CCCC,1,GDB ChEMBL
277684,CCC12CCC(CC1)C1C(C2)OC(=N)C[NH+]1C,0,GDB ChEMBL
282248,CCC(C)C(C1CC1C)[NH+]1CC1,0,GDB ChEMBL
383750,CC1CCN=C2Nc3ccc(I)cc3CC2C1,0,GDB ChEMBL
380341,CC12OC(C(=O)[O-])C1CC([NH3+])C2O,0,GDB ChEMBL
182066,CC(=O)N(C)CC1CC(N)(C#N)C1,1,GDB ChEMBL
296655,CC1[NH+]=C(N)CC[NH2+]CC1O,0,GDB ChEMBL
318503,C=CCC1(C(C)CCC[NH3+])CCC1,0,GDB ChEMBL
228445,CCCC([NH2+]C)(C(N)=O)C1(C)CCC([NH3+])CC1,0,GDB ChEMBL
126366,Fc1cc2c(c(F)c1C(F)(F)F)CCC2,1,GDB ChEMBL
69632,CCC(C)C1CCCC2CC2C1,1,GDB ChEMBL
181008,Cc1cc(Br)cc(C2C3C=CC(C)C32)c1,0,GDB ChEMBL
17275,[NH3+]CCc1cc(=O)cccn1,1,GDB ChEMBL
249452,COCC(CNC(N)=[NH2+])C1CS(=O)(=O)CO1,0,GDB ChEMBL
171874,CCNc1nc(OC)c(S(N)(=O)=O)s1,1,GDB ChEMBL
257450,COCC12C=CC(C1)C(C)C(C)CC2,0,GDB ChEMBL
258300,COC(=[NH2+])NC1CC(CO)OC(C)(C)C1,0,GDB ChEMBL
225424,CCC(=O)C(C)C(C)(C)C(C(C)O)C1CC1,0,GDB ChEMBL
46938,CC1=C(C)c2c(Cl)cccc2C(C)C1,1,GDB ChEMBL
5887,C[NH+]1C2CCC3C2CC([NH3+])CC31,0,GDB ChEMBL
348656,CC(CO)CC(C)(c1cccc(Br)c1)C(C)C,1,GDB ChEMBL
222879,CCC(C)CC(COC)C(O)C1CC1,1,GDB ChEMBL
50111,C#Cc1cc(Cl)c2c(n1)NCC(C)(C)O2,1,GDB ChEMBL
46003,C[NH2+]CCN(C)C1C2COC(CC[NH3+])(C2)C1[NH3+],0,GDB ChEMBL
301458,N#Cc1ncc(S(N)(=O)=O)c(CC=O)c1F,1,GDB ChEMBL
228807,CN1C2C(OCC(=O)[O-])CNS(=O)(=O)C21,0,GDB ChEMBL
337152,CC1OCC2(C)CN(CC[NH3+])CCC2O1,0,GDB ChEMBL
26841,CCN1CC2(CC1=O)[NH2+]CCC2N,0,GDB ChEMBL
290566,CS(=O)(=O)NC1C(=N)OCC(O)C1O,1,GDB ChEMBL
240009,C[NH+]1CC(CO)C(C)([NH+](C)C)CC2CC21,0,GDB ChEMBL
156548,C#CC1(C2CC2)CC1c1ccccc1,1,GDB ChEMBL
161981,CCOC1C(C)C=CC1OC(=[NH2+])NC,0,GDB ChEMBL
175840,CC1CC(O)C(C(C(N)=[NH2+])N(C)C)C[NH2+]1,0,GDB ChEMBL
389084,CN1CC([NH3+])C(NCS(N)(=O)=O)C1=O,0,GDB ChEMBL
155158,CCC1(O)C([NH3+])C1(N)CNC(N)=[NH2+],0,GDB ChEMBL
302421,CC1=CCC(C[NH2+]CC2CC2)C12CC2,0,GDB ChEMBL
316308,Nc1cc(F)c2c(c1)C(CO)C=CC2,0,GDB ChEMBL
251839,CC(CC1CCCNC=[NH+]1)C(O)CCC(N)=O,0,GDB ChEMBL
336595,CC(=O)NCC1([NH3+])CCn2nccc2C1,0,GDB ChEMBL
112098,C#CC(O)CC(C)(C)c1cc(F)ccc1C,1,GDB ChEMBL
225376,CCc1nc(OC(=O)NCC(C)C)c(C)s1,1,GDB ChEMBL
76965,CC1(O)CC2C(O)CC(=O)C1C2O,0,GDB ChEMBL
130411,CN1CC2CC([NH3+])(C2)C1Cc1ccco1,0,GDB ChEMBL
391664,C#CC1C(C(C)C)CC(C)(CO)C1(C)CCC,0,GDB ChEMBL
155127,N#CC1C2C([NH3+])C(O)CC([NH3+])(C(=O)[O-])C12,0,GDB ChEMBL
151089,NC12C[NH2+]CC1(O)C(CO)OC2=O,0,GDB ChEMBL
169388,CC(=O)Nc1cc(CO)noc1=O,0,GDB ChEMBL
315207,CCc1c(C)c(CC(C)(C)[NH3+])c(F)c(C)c1F,0,GDB ChEMBL
18901,CC1(O)C[NH2+]C2(C)C(O)CNC(=O)C(N)C2C1,0,GDB ChEMBL
347002,CCNc1c(O)nccnc1=O,0,GDB ChEMBL
259704,CC(O)C(CCO)CS(=O)(=O)[O-],0,GDB ChEMBL
201411,N#CC1C(=O)[N-]C(C[NH3+])C1N,1,GDB ChEMBL
334620,CC(C#N)NCC1C(CO)C1(C)C,1,GDB ChEMBL
134799,COC(C)CC1CC(C[NH3+])C1,0,GDB ChEMBL
234418,CCCCC(C)(C)OC1C=CC2C[NH2+]C21,0,GDB ChEMBL
294182,C#CC1C=Cc2cc(CC)c(Cl)cc2O1,1,GDB ChEMBL
121976,CCc1c(CO)cnc2c1OCC2,0,GDB ChEMBL
352221,[NH3+]C1C2C(O)C(O)CNC(=O)OC12CO,0,GDB ChEMBL
22494,CCOCC12CC(C1)[NH+](C)C2,0,GDB ChEMBL
369322,N#CCNC(=O)C1NC(N)=[NH+]C12CC(O)C2,0,GDB ChEMBL
372109,CC(=O)c1cccnc1CN(C)C(C)C,1,GDB ChEMBL
200759,CC(=O)C(C)C[NH2+]C(C)C,1,GDB ChEMBL
259449,Cc1cn(C)c(C)c1C(C)C,1,GDB ChEMBL
118423,CCN1C(C)CC2C=CC(C2)C1C[NH3+],0,GDB ChEMBL
73822,CC1CC(C)(O)CCC[NH+]2CC(O)C(CO1)C2,0,GDB ChEMBL
240483,CNC(=O)C(=O)NCC1C2OCOC12,0,GDB ChEMBL
129823,CC1CC(CNC(N)=[NH2+])(C([NH3+])C(C)O)CO1,0,GDB ChEMBL
252560,COCC1CC(C)C2C=CC1C2,0,GDB ChEMBL
156769,CCC(O)CC1CCC2CC2C12CC2,1,GDB ChEMBL
238530,CC1CC23C[NH+]4CCCC2C3C1C4,0,GDB ChEMBL
333868,CC(C(N)=O)(C(=O)[O-])C1OCC1[NH3+],0,GDB ChEMBL
155101,CC(C)C(O)CC(C)(C[NH3+])CCC1CC1,0,GDB ChEMBL
72410,C=C1C=CC(C[NH3+])CC1C(C)(C)C,0,GDB ChEMBL
81542,N#CCC(O)C1=CNCCN=C(N)NC1=O,0,GDB ChEMBL
345365,N#CC1[N-]C(=O)C2(CCN3CC3C2)C1CO,0,GDB ChEMBL
107046,C#CC1=CCc2ncccc2C1CC,1,GDB ChEMBL
252305,CCC1CC(C)C(CC(C)C)C=C1C,0,GDB ChEMBL
382477,C[NH2+]CC1C(O)C(C)([NH3+])C1(C)NC(=O)OC,0,GDB ChEMBL
130190,CC1OC2CC1N1CC21C(=O)[O-],0,GDB ChEMBL
311660,CC([NH3+])COCC(O)C[NH3+],0,GDB ChEMBL
53683,COC1CC(=N)OC(CO)C(CO)C1(C)C,0,GDB ChEMBL
200717,O=C([O-])CC1=CC2CC1OC2=O,0,GDB ChEMBL
276149,CC(C)CCCCC1CC2C(O)CCC1C2C,0,GDB ChEMBL
305275,COC1C([NH3+])CCC(CO)[NH2+]C1CO,0,GDB ChEMBL
118352,CC(C)CCC1(C)C2C(CC[NH+]2C)C1(C)O,0,GDB ChEMBL
53044,CC(C)[NH+]1CC2(CC2)C1,0,GDB ChEMBL
47746,Cc1c(Cl)nc(=O)n(CC#N)c1C(F)(F)F,1,GDB ChEMBL
225219,CN=C1NC(=O)CCC2CN12,0,GDB ChEMBL
264015,COC1CC=CC(C)CC1,1,GDB ChEMBL
377300,CN1CCCC2C(C#N)C1C2C(F)(F)F,0,GDB ChEMBL
355146,[NH3+]C1C2CCNc3cc(Br)cc(Br)c3C1OC2,0,GDB ChEMBL
204690,CC(NC(=O)CO)C(CN)(C[NH3+])C[NH3+],0,GDB ChEMBL
143193,Clc1c2cccc1CCC=CC#CC2,1,GDB ChEMBL
252675,C#CC[NH2+]C1CCCC(C)C1C,0,GDB ChEMBL
208431,CC1CC1C1C=CCCC(O)C1C[NH3+],0,GDB ChEMBL
31799,O=C1COCC(CCCCO)NC12CCC2,0,GDB ChEMBL
197488,[NH3+]C12CCC(CC1O)C2C(=O)[O-],0,GDB ChEMBL
260586,C1=CCC=C2CCCCC2=CCC=C1,0,GDB ChEMBL
320435,CCC1C2CC(C)C(O)CCN12,0,GDB ChEMBL
152079,N=C(NC=O)OCCS(N)(=O)=O,1,GDB ChEMBL
32025,CCC1C2CC2C2(C(=O)[O-])OC12,0,GDB ChEMBL
284685,CCC1[NH2+]CCC1=CC([NH3+])C(N)=O,0,GDB ChEMBL
65942,CC(O)C1C2C(C2(O)C(=O)[O-])S(=O)(=O)N1C,0,GDB ChEMBL
127053,CCC1C[NH2+]C2C3OCC3N(C)C12,0,GDB ChEMBL
50263,[NH3+]CC1Nc2ncnc(Cl)c2OC1=O,1,GDB ChEMBL
217021,CC([NH3+])CC1C2C[NH2+]C1C(O)C2,0,GDB ChEMBL
358465,CCCC1C(C)C[NH+](C)CC12CC(=O)C2,0,GDB ChEMBL
34309,CCC1(C)OCOC1CO,1,GDB ChEMBL
257514,CC1CCCC2CC3(C)C(C[NH2+]2)C13,0,GDB ChEMBL
374915,COC1C(O)C[NH+]2CC1(C)C2,0,GDB ChEMBL
94838,C[NH2+]CC(=O)N(C=O)CCC#N,1,GDB ChEMBL
207314,CCCCOC1CC1C#CC(C)CO,0,GDB ChEMBL
318557,CC1=CC(CC2(CO)CC2)[NH+](C)CC=C1,0,GDB ChEMBL
99414,Cc1cc(I)ccn1,1,GDB ChEMBL
233465,CC1C2NC(C(N)=O)C[NH2+]C12,0,GDB ChEMBL
32028,CS(=O)(=O)c1cc(N)nc(CNC=O)n1,1,GDB ChEMBL
378932,CCC(OC)C12C[NH2+]C(C)(CC13CCCC3)C2,0,GDB ChEMBL
281205,CC(C)C(C)(C)CCC1OC1C(N)=O,1,GDB ChEMBL
358951,COC(=NCC1CC(C(N)=O)C1)NC(C)=O,0,GDB ChEMBL
255434,COC1(C)C(CCC(C)CCO)C1C(=O)[O-],0,GDB ChEMBL
250543,CCOC1C2C=C(CC)CC([NH2+]2)C1O,0,GDB ChEMBL
305295,COC(=[NH2+])N(C)C(CC(N)=[NH2+])C(C)C,0,GDB ChEMBL
333856,CCC(C(C)C)C(CC)C1CC=CC1C,0,GDB ChEMBL
66143,CC[NH+](C)C1CCC2CCC2C1,0,GDB ChEMBL
45993,CC(C(=O)[O-])c1c(Cl)ccc2occ(C=O)c12,0,GDB ChEMBL
233937,CC1=CC(CC(C)=NO)NC(=O)OC1C,0,GDB ChEMBL
196527,CC(C)CC1C[NH+]=CNC(C)CO1,0,GDB ChEMBL
121986,COCCNC(=[NH2+])C1OC(=O)CNCC1=O,0,GDB ChEMBL
140388,CCC1CCC(C)C2CC1CC21CCCC1,0,GDB ChEMBL
325265,CCC(CC)C1CCC1,1,GDB ChEMBL
70349,CC1CNC(=O)C([NH3+])C1CO,0,GDB ChEMBL
313299,O=C(Cc1cscn1)Nc1cn[nH]c1[O-],0,GDB ChEMBL
215456,CCC12CC1(O)CCC2C(C)CC[NH3+],0,GDB ChEMBL
277580,CCC1OC2CCC1C(C)C2,1,GDB ChEMBL
143815,Nc1cccc(CC=O)c1N,1,GDB ChEMBL
236630,CC(C)C12C=C(CCCO)C(CC1)C2,0,GDB ChEMBL
273444,CCC1CCC2(CCCCC2)CC1(C)C,1,GDB ChEMBL
62552,CCC1(C=O)CC(C(C#N)N(C)C(N)=O)C1,0,GDB ChEMBL
248638,NC(=O)Nc1cn2nnc(N)nc2n1,0,GDB ChEMBL
263168,CC#CC1CC1(C)C(C)OC(C)=O,0,GDB ChEMBL
103434,O=C1NC(CO)C(O)c2c(Cl)ccnc21,0,GDB ChEMBL
67345,CC(C)CCC1(CC#N)CCOC(C)(C)CC1,0,GDB ChEMBL
118663,[NH3+]CC(CO)c1cc(=O)[nH]cc1[N+](=O)[O-],0,GDB ChEMBL
119233,CCC1CC=CCCc2ccc(F)cc21,1,GDB ChEMBL
278170,C#CCCCCC(NC1CC(O)C1)=[NH+]C,0,GDB ChEMBL
221720,CC1CC2C[NH2+]C3CC1(C)OC23,0,GDB ChEMBL
9721,CC1C(C)C(CN)[NH+](C)C1C,0,GDB ChEMBL
225862,C#CCC1CCC2(C)C3CC([NH3+])CC(C3)C2C1,0,GDB ChEMBL
11738,N#CC1N2CC(O)CC2C1(N)CO,0,GDB ChEMBL
317367,CC(C)CC1C2C[NH2+]C1C1CC21,0,GDB ChEMBL
304176,C[NH2+]CCC#CC(C)C[NH2+]C,0,GDB ChEMBL
256196,NC(=O)CNC1C2C(O)CC([NH3+])C12O,0,GDB ChEMBL
227517,COCC1(C)COC(=NCC(O)CC[NH3+])N1C,0,GDB ChEMBL
120564,NS(=O)(=O)OCC1CC(O)C2OCOC12,1,GDB ChEMBL
149310,C#CC(CC(C)C1(C)CCC1)[NH+](C)C,0,GDB ChEMBL
134011,CC1C([NH3+])CCC([NH3+])C1C[NH2+]CCOCC#N,0,GDB ChEMBL
71666,CCCC1=CC(C)[NH+](CC)CC1,0,GDB ChEMBL
280786,CCC1CN(CC(C#N)C=O)CC(=N)O1,1,GDB ChEMBL
283451,CC(O)C(CCO)N=C(N)S(=O)(=O)[O-],0,GDB ChEMBL
223972,O=C1COC(CNC(=O)CO)(C(=O)[O-])C1,0,GDB ChEMBL
31774,O=CNC1C(O)CCOC(=O)NC1C(O)CO,0,GDB ChEMBL
314123,CC1=CC2CN2c2ccc(F)cc2C=C1,1,GDB ChEMBL
271144,O=C([O-])C[NH2+]CCC(O)CO,1,GDB ChEMBL
284662,CC12CC1CC(CO)CCC[NH2+]2,0,GDB ChEMBL
391786,CC(C)C(C)N(C)c1c(O)ncc(C=O)c1F,1,GDB ChEMBL
375469,Nc1nc(O)c2cnc(CO)nn12,0,GDB ChEMBL
355307,C#CCc1ccc2cc(CC)n(CCC)c2n1,1,GDB ChEMBL
222779,O=C1CC2OC(=O)C1C(O)C2CO,0,GDB ChEMBL
24045,CC#CC1c2c(F)cccc2CC1C,0,GDB ChEMBL
374230,NC(=[NH2+])N1CC2C(O)C1C1OC(=O)C21,0,GDB ChEMBL
70336,[NH3+]C1CCCc2nc(CO)nc(O)c21,0,GDB ChEMBL
263980,CC1CC2C3CC([NH3+])CC32C1O,0,GDB ChEMBL
18687,CC1CC2C[NH2+]C1C(CC[NH3+])N2,0,GDB ChEMBL
323980,COCC1CC([NH3+])C2C(C)N12,0,GDB ChEMBL
162474,COC1CC1C1OCC([NH3+])C1O,0,GDB ChEMBL
171276,CC(C)CC(C(C)C)C(C)(C)CCC(C)(C)C,1,GDB ChEMBL
9986,CC12OC1C([NH3+])C(=O)NCC2[NH3+],0,GDB ChEMBL
302283,N#CC(=O)[N-]C(C(N)=O)C([NH3+])CO,0,GDB ChEMBL
284869,CC1=CC2C(CNS2(=O)=O)N(CC(N)=O)C1,0,GDB ChEMBL
290166,C#CC(=O)OC(C(C)C)C1CC1,1,GDB ChEMBL
36183,[NH3+]C1CCC2C(NC(=O)C1)C2C1=NCCO1,0,GDB ChEMBL
338001,C#CC(=[NH2+])NC(C)c1ccc(N)nc1O,0,GDB ChEMBL
71663,NC1(C(=O)[O-])C(=[NH2+])NCCNC1=O,0,GDB ChEMBL
334331,C1#CC2CCOC2CCC[NH2+]C1,0,GDB ChEMBL
348412,C#CCC1C2(C)COC(C2)C1(C)C(C)C[NH2+]C,0,GDB ChEMBL
48770,C#CC(NC(N)=[NH2+])c1nn(C)c(COC)c1C,0,GDB ChEMBL
224023,CCCC1CC=CC1c1cc(Br)cc(Br)c1,1,GDB ChEMBL
302285,CC1CC(CO)[NH2+]CC(N)(CO)C1(C)O,0,GDB ChEMBL
320281,Cc1ccc2c(n1)NC(=O)CC(=N)OC2C#N,1,GDB ChEMBL
35003,CCC1=CC(C)=CC=CC=Cc2cccc1c2,0,GDB ChEMBL
309148,C#CCCCC1CC(C)CC(O)(C(N)=[NH+]C)C1,0,GDB ChEMBL
284704,COc1nc([O-])cc(=O)n1C(N)=O,0,GDB ChEMBL
366772,COC1(C)CN(C)c2c(C(=O)[O-])cc(Cl)nc21,0,GDB ChEMBL
267382,CCN1C2CC(OC)C(C[NH3+])C21,0,GDB ChEMBL
89081,Cc1cc(F)c2c(C=O)cn(C)c2c1F,1,GDB ChEMBL
277937,CC[NH+](CC)C1C(OC)C1(C)N,0,GDB ChEMBL
289419,C=CC(=O)OCC(C)CC[NH+]=CN,0,GDB ChEMBL
94745,C[NH2+]C(C)(C(C)=O)C1CC(=O)NC(C)C1O,0,GDB ChEMBL
34827,C[NH2+]C1(C(N)=O)CC(CS(=O)(=O)[O-])C1,0,GDB ChEMBL
157687,N=C(N)N1C(=N)OCC(=O)NC1=O,1,GDB ChEMBL
107638,CC1(C)C2CC(O)C(C(=O)[O-])C(CCO)C21,0,GDB ChEMBL
266455,CC1CC(O)C2(C)CC(CO)[NH+]1C(C)CN2C,0,GDB ChEMBL
169068,CC1CC2(C)C(C)[NH2+]C3CCCC1C32,0,GDB ChEMBL
13767,C#CC(CO)(CC1(CC)CCC1)[NH+]=C(N)N,0,GDB ChEMBL
247350,CC(C)(O)C(=N[O-])C(=O)N1CCC1,0,GDB ChEMBL
246953,C=CCC[NH+](C)CC#CCC(C)[NH3+],0,GDB ChEMBL
173954,NC12CC(=O)OCC(O)C1C2[NH3+],0,GDB ChEMBL
325245,CC1=CCOc2ncc(cc2F)C#CC1,1,GDB ChEMBL
274833,C#CC1NC1CC(=O)CC(CC)C[NH2+]C,0,GDB ChEMBL
228874,C#CC1(C)C(=O)NC(=NC)N1CC(F)(F)F,0,GDB ChEMBL
218592,NC1C[NH2+]CC1C(=O)Nc1c[nH]cn1,0,GDB ChEMBL
317196,CCC12CC(CC1[NH+](C)C)C1(C)CC[NH2+]C2C1,0,GDB ChEMBL
256011,CCCCC(C(C)C)C1CC1C1CC1,1,GDB ChEMBL
397979,COc1nccc(N(C)C(=N)C#N)c1Cl,1,GDB ChEMBL
119667,C[NH2+]CC1(C)C(N(C)C)C1(CO)CC#N,0,GDB ChEMBL
190335,CC1CCC2C1C2(C#N)CO,1,GDB ChEMBL
231109,CC1CCNC(=O)Nc2nc(no2)C(C#N)N1,0,GDB ChEMBL
340493,CCC(C)NS(=O)(=O)c1cccc(Cl)c1,1,GDB ChEMBL
208234,C[NH2+]CC1(C)CCC(C)C(C[NH3+])C(O)C1C,0,GDB ChEMBL
271838,CCC1(C)C2COC1C(C)CC(O)(CO)C2,0,GDB ChEMBL
320420,CNC(C#N)CC(=O)[N-]S(=O)(=O)CN,0,GDB ChEMBL
112827,C#CC(C#C)(CC(C)C)c1c(C)ccnc1Cl,0,GDB ChEMBL
244560,[NH3+]C(C#CC([NH3+])C(=O)[O-])CO,0,GDB ChEMBL
95182,C#Cc1c(C)cncc1C([NH3+])CC,0,GDB ChEMBL
267886,CCC1CC2CC(OC)CCC(CO2)CC1[NH3+],0,GDB ChEMBL
358316,N#CC(O)CC(=O)c1cncs1,1,GDB ChEMBL
276115,Cc1ncc2c(c1O)CC[NH2+]C2,0,GDB ChEMBL
176416,C#CC1CC2CCCCCC=CCC1C2C,0,GDB ChEMBL
263526,COC(=O)C(=O)CCC1CN1S(C)(=O)=O,1,GDB ChEMBL
220179,CCOCc1ccc(Br)cc1Br,1,GDB ChEMBL
316309,[NH3+]CC#CC(O)C1CCCOC1,1,GDB ChEMBL
337079,C[NH2+]CC1C=CC2CCOCC21,0,GDB ChEMBL
304274,CC1CCCCCCCC2(C)CC(C)(C)CC12,0,GDB ChEMBL
288601,CCCCC(c1c(I)cc(I)cc1I)N(C)C,1,GDB ChEMBL
269189,COCc1ccn(CCO)c1,1,GDB ChEMBL
290148,CC12CN=C(N)N1C(=O)CC2C1(O)CCC1,0,GDB ChEMBL
81608,CCN1C(=O)C2C(O)C1(C#N)C2O,0,GDB ChEMBL
390495,[NH3+]CCC1C=CC(C2CC2)C1,0,GDB ChEMBL
114776,COC1CC[NH2+]CC2OC12,0,GDB ChEMBL
246366,Nc1nc(C(CCO)=N[O-])cc2scnc12,0,GDB ChEMBL
175528,C[NH+]1CCC(C([NH3+])CC2CC(C[NH3+])C2)C1,0,GDB ChEMBL
313362,CN1CC([NH3+])C2CC1C(O)C2(O)CO,0,GDB ChEMBL
111890,CCc1cc(CC(C)(C)[NH3+])c(N)c(F)c1CC,0,GDB ChEMBL
307597,C#CCCN1C(=O)C=CC1(C#C)CCO,0,GDB ChEMBL
176453,CC#CCC1CC(C)C(C)O1,1,GDB ChEMBL
186543,COc1cc(C)ccc(CC=O)sc(C)n1,0,GDB ChEMBL
11751,CCC(CC)C1C2CCCCC1C1CCC12,0,GDB ChEMBL
33153,CCc1ccc(C(C)=O)c(=O)cc1C(C)CC,1,GDB ChEMBL
305118,CCC12CC(CC(C)CO)OC(=O)C1N2,0,GDB ChEMBL
380368,Brc1cnc2ccnn2c1C1CC[NH2+]CC1,0,GDB ChEMBL
221329,CC1(C)CN(CC2CO2)CC(=O)NC(N)=N1,1,GDB ChEMBL
156145,O=C1C=C(Cn2cccc2)CC1,1,GDB ChEMBL
72393,CS(=O)(=O)CC1(C#N)C[N-]C(=O)C1=NO,0,GDB ChEMBL
212596,C[NH+]1CC2CC3CC(CC31)O2,0,GDB ChEMBL
50991,C#CC(CC(N)=O)NCS(N)(=O)=O,0,GDB ChEMBL
189850,[NH3+]C1COC2CC(=O)OC1(CCO)C2,0,GDB ChEMBL
71994,CCN1C=[NH+]CC(N)CC1,0,GDB ChEMBL
17530,CCC([NH+]=C(N)N)C1(O)C[NH2+]C(COC)C1O,0,GDB ChEMBL
101010,CC1=CCCCC(C)C2(C)CCC(C)C12,0,GDB ChEMBL
283391,CCCc1cnc(C(=O)[O-])c(C)nc1=O,0,GDB ChEMBL
212545,Cc1oc(=O)c(C[NH3+])c(S(N)(=O)=O)c1N,0,GDB ChEMBL
184120,CCC1C=CC2CCC1[NH2+]CC2C,0,GDB ChEMBL
143847,CCCC(CO)C1(C)C=CCC(=[NH2+])NC1,0,GDB ChEMBL
354583,CCC1(O)CC(CCC(C)C)=CC1C#N,1,GDB ChEMBL
382135,CC(CC#N)CN(C)CCCS(=O)(=O)CO,0,GDB ChEMBL
316298,CC(CCc1nc(N)c(N)cc1C#N)=NO,1,GDB ChEMBL
122721,CCNS(=O)(=O)CC1(C[NH3+])CC(N)C([NH3+])C1,0,GDB ChEMBL
51083,CCCC1(C)CC(C)N1C(C)=O,0,GDB ChEMBL
173952,CCOC1(C(=O)NC)CC1([NH3+])C(O)CO,0,GDB ChEMBL
63491,CC1CCC2(CC[NH2+]C2)OC1,0,GDB ChEMBL
286848,CCC1C(O)C(C)C(CC)(C[NH2+]C)[NH+]1C(C)C,0,GDB ChEMBL
273998,C#CCC1C(C)C=CC([NH2+]C)CC1(C)O,0,GDB ChEMBL
127873,CC([NH3+])CC1=[NH+]CCCN1,0,GDB ChEMBL
204207,CCCCCC(C)C(C)C1C(C)C1C,0,GDB ChEMBL
79299,COC1CCC2C(O)C2C[NH2+]C1,0,GDB ChEMBL
321943,C#CC1CC(C(=O)[O-])(c2nc(C)cs2)O1,0,GDB ChEMBL
355028,Cc1cc(C(=O)CO)c[nH]c1=O,1,GDB ChEMBL
24512,CC1NC(=O)C2C(C)C12,1,GDB ChEMBL
126843,Cc1onc(N)c1C(O)CC(=O)[O-],1,GDB ChEMBL
389631,CC1(CC=O)CCCCC1,1,GDB ChEMBL
312213,C#CC(CC)C1CC2(C)CC[NH2+]C2C(C)[NH+]1C,0,GDB ChEMBL
349660,N=C(N)N(C(=O)CO)C(=O)C(N)=O,1,GDB ChEMBL
143521,COC1C[NH+]2CC3(C)CC2C2C1C23,0,GDB ChEMBL
215860,CC1(CC#N)CC1NC(N)=[NH2+],0,GDB ChEMBL
215847,CN1CC[NH+]=C(N)C1(C)C(N)=O,0,GDB ChEMBL
274010,CCCC1(O)CC2CCC1N(C)C(=O)CC2O,0,GDB ChEMBL
116081,CCN(C(=O)C#N)C(C)C#N,1,GDB ChEMBL
38556,C#CC[NH2+]C(C)(C)C1CC(C)CCCC(C)C1,0,GDB ChEMBL
30353,NC(=O)C1OC1(C[NH3+])C(O)C([NH3+])CO,0,GDB ChEMBL
82177,CC=C(CC[NH3+])C(N)(C#N)CCC,0,GDB ChEMBL
379886,CC(=O)NC1CC2C(=O)C=C(C)COC12,0,GDB ChEMBL
189871,C#CCC(c1cc(F)c(C)cc1CC)C(C)C,1,GDB ChEMBL
269324,CCC(=O)OC12CCC(CC(=O)O1)NC2,0,GDB ChEMBL
298962,COC(C#N)C(C)(C)Nc1ccc(N)[nH+]c1C,0,GDB ChEMBL
380379,CCOc1cnc(C(N)=O)cc(=O)c1C[NH2+]C,0,GDB ChEMBL
180833,COC(=O)N(C)C(CO)C1CC2C=CC1[NH2+]2,0,GDB ChEMBL
174933,CC[NH2+]CCN1CC2(C=CCOC2)C1,0,GDB ChEMBL
182267,CC1CC(C(C)(CC[NH3+])C(O)C[NH3+])C(N)C1[NH3+],0,GDB ChEMBL
184247,CC(C)OC1CC([NH3+])C2CC2C1,0,GDB ChEMBL
228499,CCC1(C)C2CC(C)(C)C1CC2=O,0,GDB ChEMBL
142515,COC1C[NH2+]CCCN(C)C1=O,0,GDB ChEMBL
83104,CN1CCCOC(=O)NC2(CC2)CC1=O,1,GDB ChEMBL
70830,CCc1c(Br)cc(Br)c(C2CCCCO2)c1C,1,GDB ChEMBL
81617,CCCNc1cnc(OC(C)=O)n1CC(N)=[NH2+],0,GDB ChEMBL
41031,CC1CC(O)C2(C#CC[NH+](C)C1)CCC2,0,GDB ChEMBL
41104,[NH3+]CC1CCC2(O)C(CO)C2C1,0,GDB ChEMBL
248226,O=C1CNC(CO)C1CCO,0,GDB ChEMBL
1952,CCC(=O)OCC#CC(O)C([NH3+])C(N)=O,0,GDB ChEMBL
381495,CCC1(C)C(=O)NC(CCC=O)C1OC,1,GDB ChEMBL
81025,CC1CCC2CC(=O)C1(C)NC(=O)N2,0,GDB ChEMBL
142954,CC(C)OCC(C(C)[NH3+])C(C)C1CC1,0,GDB ChEMBL
20748,CNc1nccc(OS(N)(=O)=O)c1C(C)O,1,GDB ChEMBL
109750,C[NH+]=C(C)NC(C(C)O)C(O)CCCO,0,GDB ChEMBL
300716,CN1C(=O)OC(CC(=O)[O-])C1=O,1,GDB ChEMBL
78293,CN1C(=[NH2+])C2C(O)C1C(OC(N)=O)C2C(=O)[O-],0,GDB ChEMBL
155760,CC1OC2CCC2OC(C)C1[NH3+],0,GDB ChEMBL
305615,C#CC(c1ccccc1F)C(C)CC,1,GDB ChEMBL
156216,O=C1CC[NH2+]CC2CCS(=O)(=O)[C-]2C(=O)N1,0,GDB ChEMBL
351189,O=CC1CC(=O)Nc2c(I)cccc21,1,GDB ChEMBL
340409,CCOc1nc(N)ncnccc(C)c1N,0,GDB ChEMBL
74358,[NH3+]CC(C(=O)[O-])C1COC(=O)N1,0,GDB ChEMBL
304150,O=CC1=NCC(O)C(O)C(O)CC(C(=O)[O-])N1,0,GDB ChEMBL
276341,CC[NH2+]Cc1cnn(C)c1C(=O)[O-],0,GDB ChEMBL
215424,C#CC1CC2[NH+](C)CC1CCC2(CC)CC[NH3+],0,GDB ChEMBL
160343,CC(=O)C1=CNC(C(N)=O)C(CO)C1,0,GDB ChEMBL
17449,C#CC1CCCC2(N1)C(=O)NCCC(O)C2[NH3+],0,GDB ChEMBL
73799,NC(C[NH3+])COC(CO)C([NH3+])C(O)C(=O)[O-],0,GDB ChEMBL
325873,[NH2+]=CNC(CCCO)C(=O)[O-],0,GDB ChEMBL
317331,CCCCC1CC(C)(C)CO1,1,GDB ChEMBL
310144,OC(Cc1ccc[nH]1)C(F)(F)F,1,GDB ChEMBL
334374,CC1CC23CC(C(=O)[O-])C1C2O3,0,GDB ChEMBL
397932,CC12CCC[NH2+]CCC1CC1C([NH3+])C12,0,GDB ChEMBL
182261,CC1=CC(C)CC1C(C)C1CCCC1,0,GDB ChEMBL
347912,C[NH2+]C1C(C)NC(=O)CC12N=C(N)NC2=O,0,GDB ChEMBL
366904,COCC1C(=O)CCC(O)C2CC12,0,GDB ChEMBL
362816,CCC12CC(O)(CC1O)C(C)CC(N)C[NH2+]2,0,GDB ChEMBL
22624,C[NH+](C)CCCc1snnc1OCCO,0,GDB ChEMBL
328922,CC1C(CO)CN(C)C(=O)N1C(C)(C)C,0,GDB ChEMBL
29681,Cc1ncnc2c(Cl)ccc(CO)c12,1,GDB ChEMBL
105962,CC(C)(C)Cc1ccc(Cl)c(Cl)c1C1CC1,1,GDB ChEMBL
359176,CC(C)C1[NH2+]CC2CC21C#N,0,GDB ChEMBL
256158,CCOC(=N)CC(O)C([NH3+])C1CC1[NH2+]C,0,GDB ChEMBL
282219,CCS(=O)(=O)N1CC(C)(C)NCCOC1=O,1,GDB ChEMBL
4834,CN1CC2C3NC(=O)CC3(O)C2([NH3+])C1,0,GDB ChEMBL
6819,CCCC[NH+]1CC(CCO)C1C,0,GDB ChEMBL
70991,COC(C(CO)CC(=O)[O-])S(=O)(=O)[O-],0,GDB ChEMBL
37182,Cc1cc(C)c2ccc(Cl)c(Cl)c2c1C,1,GDB ChEMBL
304333,COC1C(O)CC(=CC[NH3+])C1C[NH3+],0,GDB ChEMBL
218363,CCC1=CC(C)CC(=O)N1,1,GDB ChEMBL
294757,C#CC1CN(C(C#C)COC(C)C)CCC1=O,1,GDB ChEMBL
318385,CCCC1CC12CCC([NH3+])C2,0,GDB ChEMBL
157682,CCc1oc2cc(C)cc(C(C)C)c2c1OC,1,GDB ChEMBL
201415,CS(=O)(=O)NCC1(N)C([NH3+])CC(O)C1NC=O,0,GDB ChEMBL
184469,CC1COC2C(NC(=O)C(=O)[O-])C2C1C[NH3+],0,GDB ChEMBL
29614,C[NH2+]CC(N)C12CCOC(CC(=O)N1)OC2=O,0,GDB ChEMBL
9880,C1=CC(C2C[NH2+]C2)[NH2+]CCC1,0,GDB ChEMBL
281698,CC1CC2CC(C)(CC[NH2+]C2C)CC1C,0,GDB ChEMBL
347013,C=CC1C[NH+](C)CCC(C)C2CC12,0,GDB ChEMBL
385505,CC(O)C1CC2C(C(N)=O)N2S(=O)(=O)C1,0,GDB ChEMBL
117333,CCCC1(CC(C)OC)CCCCC1C(C)C,1,GDB ChEMBL
250666,CC1=C(CC(N)=[NH2+])C(=O)NC(=O)CN1C,0,GDB ChEMBL
179168,C#CCC([NH3+])(CC)CC[NH2+]C1CC(CO)C1,0,GDB ChEMBL
204669,CC#CCC1CC1CNC(N)=[NH2+],0,GDB ChEMBL
337080,CCC1=NCC(O)CN1C(=O)OC1COC1,0,GDB ChEMBL
293789,CNC1C(=O)CC(O)CC2OC21C[NH2+]C,0,GDB ChEMBL
354970,CCOCC[NH2+]CC=CC#CCO,0,GDB ChEMBL
292674,N#CC1=CC(C[NH3+])NC1C(N)=O,0,GDB ChEMBL
75014,CCC[NH+]1CC2CC([NH3+])CC2C1,0,GDB ChEMBL
209472,CCC(C)(C)CC#CCO,1,GDB ChEMBL
41106,CC[NH2+]C1C2CC(=O)C(CC)C21O,0,GDB ChEMBL
380288,CC[NH+](C)C1CC1(C)C1C[NH2+]C1,0,GDB ChEMBL
36063,N=c1cc(N)ncc2c1C(=O)NC2C(N)=O,0,GDB ChEMBL
271131,CCC(C)(C)C(C)c1c(C)cccc1I,1,GDB ChEMBL
240397,CC1CCC(C)[NH+](CC(N)=O)C1,1,GDB ChEMBL
149401,C#Cc1ccc(C(C)C)c(OC)c1CC,1,GDB ChEMBL
311348,CCC12CCCCC(C)(OC)C(C1)C2,0,GDB ChEMBL
391746,CNC(=O)C(OC)C1(C)NC(=O)C1C[NH3+],0,GDB ChEMBL
328938,CCCNc1nc(CC(N)=O)c2nccnn12,0,GDB ChEMBL
23506,CC(O)C1C(=O)C=CC(O)C1OC(N)=O,1,GDB ChEMBL
391744,N#CC1(C(N)=O)CCC1OC(=O)CCO,1,GDB ChEMBL
18898,CC#CC1=CC2CC(C1)N(C)C(=O)CN2C,0,GDB ChEMBL
353546,CC([NH3+])C1(C(=O)[O-])CN(C(N)=O)C1,0,GDB ChEMBL
352232,CCC(C(N)=O)C(O)C1CC1,1,GDB ChEMBL
175865,Cc1cccc2c1CC(=O)C2,1,GDB ChEMBL
263814,CC([NH2+]CCO)C(=O)NC=N,1,GDB ChEMBL
156732,CC1CCC23C[NH2+]C(C([NH3+])C2)C1C3,0,GDB ChEMBL
188133,CCC1Cc2nc(N)oc2C1CCCC[NH2+]C,0,GDB ChEMBL
84928,CCCC1C[NH+](C)CC=CC(O)CO1,0,GDB ChEMBL
33328,CC[NH+]=CN1CCC1c1cccc(F)c1,0,GDB ChEMBL
204845,C[NH2+]CC1CC2CC2(CO)C(O)C1C,0,GDB ChEMBL
40908,CCC1CC(C)C2CC=CCC=CC12,0,GDB ChEMBL
334662,CCC(C)C(CC)CCC1(C)CCCCCC1,1,GDB ChEMBL
39966,CCC1[NH2+]CCCC1C[NH3+],0,GDB ChEMBL
115186,CC(C)C1C(=NO)C=CC1C1CCC[NH+]1C,0,GDB ChEMBL
129842,[NH2+]=C1NC2C(=O)C(CO)OC(=O)CC(O)C2N1,0,GDB ChEMBL
210285,CNc1nc(CNc2cc[nH]c2C#N)cs1,1,GDB ChEMBL
19425,CNC(=O)CC(C)NC(=O)Nc1[nH]ncc1C,1,GDB ChEMBL
191685,C[NH2+]CCNC(C)C(C)=O,0,GDB ChEMBL
368183,CC[NH2+]C1C(O)C2CC(O)C1C2O,0,GDB ChEMBL
121954,CCC1C=CCC1(C)C1C(C)CCC1O,0,GDB ChEMBL
125642,CC1C=CCC2C(C)CC[NH+](C)C12,0,GDB ChEMBL
308316,CC1CC2C[NH+](C(C)C)C(CO)C(C)(O1)C2C,0,GDB ChEMBL
370354,CC1C2C(=O)OC3CCC1(C)[NH2+]C32,0,GDB ChEMBL
262246,Ic1ccc(NCC2COC2)cc1,1,GDB ChEMBL
201121,C[NH2+]CC1NC(C)C(=O)CS(=O)(=O)C12CC2,0,GDB ChEMBL
305998,CCN1C(C[NH3+])C1COC,0,GDB ChEMBL
124280,C#CC1C(=O)N(C(C)(C)C[NH3+])C(=O)C1CO,0,GDB ChEMBL
292718,CC(C)CCC(C)([NH3+])CCO,1,GDB ChEMBL
263518,CCC(O)C1CN1CC=O,1,GDB ChEMBL
265293,[NH2+]=CNC(CCO)Cn1ccnn1,0,GDB ChEMBL
273394,O=CN1CCn2nncc2C1,1,GDB ChEMBL
19634,[NH3+]CC(OCCC([NH3+])C(O)CCO)C([NH3+])CO,0,GDB ChEMBL
170134,[NH3+]CCC(O)COC(=O)Cc1c[nH]cn1,0,GDB ChEMBL
183464,CC[NH+]1C2CC(C2)C12CCC(=O)CC2,0,GDB ChEMBL
226234,CCC12CCC1c1ccc(I)cc1C2,0,GDB ChEMBL
33224,C=CCOC(N)=[NH+]CCOC(N)=O,0,GDB ChEMBL
392713,CCC=C1CCC(C(C)(C)OC)C1,1,GDB ChEMBL
383700,CCCC(CC(CC)CC)C1(C)CN1C,0,GDB ChEMBL
83512,CCC(C(=O)[O-])C1(C[NH3+])NC(=O)CC1NC=[NH2+],0,GDB ChEMBL
222843,Cc1ccccc1-c1cn(C)cc1C(C)(C)C,1,GDB ChEMBL
200610,CCNS(=O)(=O)CC1(O)CCC(C)C1C#N,0,GDB ChEMBL
80204,N#CC1C2NC(=O)C1C2NC(N)=[NH2+],0,GDB ChEMBL
394285,CCCc1c(C)cc(F)c2c1CCC(CC)C2,1,GDB ChEMBL
366629,CC1CC(C)([NH3+])CNC(=O)C(O)C1[NH+]=CN,0,GDB ChEMBL
230385,COCC1C(O)C(O)C2CNS(=O)(=O)C21,0,GDB ChEMBL
189983,CCC(Cc1cc(Br)ccc1Br)C(C)C,1,GDB ChEMBL
107671,CCC1CC(C)C2C[NH+]1C2,0,GDB ChEMBL
226255,CC(O)C#CC(O)C1CC1C(=O)[O-],0,GDB ChEMBL
174066,OCC1CC2(CC2)C2(CC2)C1,1,GDB ChEMBL
132273,CCN(C=O)C(C)C1CC1O,1,GDB ChEMBL
257486,C#Cc1nc(O)n(C)c1C(=O)OC(C)C,1,GDB ChEMBL
111609,Cc1onc(C(=O)[O-])c1S(=O)(=O)[O-],0,GDB ChEMBL
135824,[NH3+]CC(O)CC([NH3+])CC1COC1=O,0,GDB ChEMBL
185983,C=C1CC(C(C)=O)C2(C)CCC1C2,0,GDB ChEMBL
38916,C[NH+](C1CCC1)C1CC1CC1CO1,0,GDB ChEMBL
398810,COC(Cc1nsnc1CC(C)[NH3+])CC(C)O,0,GDB ChEMBL
363525,N#CC#Cc1ccc(F)nc1N,1,GDB ChEMBL
23493,CC(C)(C)CCCOCc1c[nH]cc1N,1,GDB ChEMBL
297244,Fc1cncc(C2CCC=CC3CN32)c1,0,GDB ChEMBL
315249,C[NH2+]C(C)(C)CC(C)(Cn1cnnn1)C(C)C,0,GDB ChEMBL
88166,CC(C)C1CC1[NH+](C)CC=O,0,GDB ChEMBL
123048,CC(=O)OCCN(C=[NH2+])CC(C)=NO,0,GDB ChEMBL
333052,Nc1cncc(Cl)c1C#CC[NH3+],0,GDB ChEMBL
376992,N#CC1COC(C#N)C(O)C([NH+]=C(N)N)CN1,0,GDB ChEMBL
75020,CC1CCC2CC=CCCC2C(C)[NH2+]1,0,GDB ChEMBL
185998,CC(C)CNc1cc[nH]n1,1,GDB ChEMBL
294491,CC1OC1C(C)C(CC#N)C(O)C(N)=O,0,GDB ChEMBL
301452,CC(=O)C1CC2CC(=CC(=O)N1)CC2(C)C,0,GDB ChEMBL
7396,NC(=O)NC1CC2C3OCC(OC1=O)C23O,0,GDB ChEMBL
378084,CC1C(=O)NC(=O)NCCNS1(=O)=O,1,GDB ChEMBL
189867,CC(=O)C1=CCOCCC1,1,GDB ChEMBL
271106,CC1CC[NH2+]Cc2c(O)ccnc2O1,0,GDB ChEMBL
391721,CC(=O)C1(CCCO)CO1,1,GDB ChEMBL
356860,C#CC1CC=CC(O)C(C)[NH+]1C,0,GDB ChEMBL
267369,Cc1c(N)cn(CC(=O)CCCC#N)c1C#N,1,GDB ChEMBL
36059,CC(C)C1([NH2+]CCC[NH3+])COC1,0,GDB ChEMBL
84997,C[NH2+]C(C)CC1(C(O)C#N)NC1C(=O)[O-],0,GDB ChEMBL
121975,CC(=O)CC(=CC=O)CC(O)CO,0,GDB ChEMBL
227898,CC(C)(C)C(=O)CCO,1,GDB ChEMBL
288157,C#Cc1c(C)[nH]c2cc(Br)ccc12,1,GDB ChEMBL
274042,CC1=CC=CC1c1ccccc1F,1,GDB ChEMBL
12746,CC1(C2C=C(C#N)C(=O)[N-]2)C[NH2+]C1,0,GDB ChEMBL
95228,C=CC([NH2+]C)C1C=C(C)CNC1=O,0,GDB ChEMBL
230480,C[NH2+]CCC1C(O)CC2NCC(=O)C2C1O,0,GDB ChEMBL
378626,CNC(N)=[NH+]CCN(C=N)C(=O)COC,0,GDB ChEMBL
277993,CC1(C)[NH2+]C2CCC1C1CCC(C1)OCC2O,0,GDB ChEMBL
256020,CC12C=Cc3cccc4c3C1C2CC4,0,GDB ChEMBL
80344,CC1CC2Cc3ccnn3C1CN2C(N)=O,0,GDB ChEMBL
122958,Cc1cc2c(c(I)c1C1CC1)OCC2=O,1,GDB ChEMBL
341355,CCC1(C)OCCCC(C)C1=O,0,GDB ChEMBL
61821,CC(=O)Nc1cc(=O)n(C)nc1Br,1,GDB ChEMBL
229482,CC1CC(=O)COC2C(=O)NCC1C2(C)C,0,GDB ChEMBL
356857,CC[NH2+]CCC1(C)CC1[NH3+],0,GDB ChEMBL
250527,CC1CCCCC[NH+](C)C1(C)C1CC=CC1,0,GDB ChEMBL
62002,CC1(O)CC(CO)C2[NH2+]CC(=O)C2C1,0,GDB ChEMBL
148233,N#Cc1ncc(Cl)cc1CCc1ccc[nH]1,1,GDB ChEMBL
172764,CCC(C)C1CCCCCCCOCCC1C,0,GDB ChEMBL
121104,C[NH+]1CCC(O)(CC[NH3+])C2OCC(C1)NC2=O,0,GDB ChEMBL
21577,CCC(C)(C)CC1CCC2CCCC1CC2C,0,GDB ChEMBL
30317,COc1cc(C)cc(CO)c1-n1nccn1,1,GDB ChEMBL
378291,CC(C)Cc1ccc(C2(C)C[NH2+]C2)s1,0,GDB ChEMBL
212586,CCOC1=NC(C(=O)CNC=O)CN1C(C)=O,1,GDB ChEMBL
141926,CC(C[NH3+])CC1C2(C)CCC1(C)CC2,0,GDB ChEMBL
209854,CC1CC([NH3+])C(C)(C)C[NH2+]C1C,0,GDB ChEMBL
325765,CCc1nc2cc(C3CC3)cnc2cc1N,1,GDB ChEMBL
276164,CN1C(=O)CN=C1NC(=O)CC(C#N)=N[O-],0,GDB ChEMBL
181737,CC12CC3C=CC(CCC1O2)C3C(=O)[O-],0,GDB ChEMBL
26062,N=c1cnc(=O)c(NC(=O)CC([NH3+])CO)c[nH]1,0,GDB ChEMBL
208278,O=C([O-])C[NH2+]Cc1cnn2cccc2n1,0,GDB ChEMBL
157681,CCC1C[NH2+]CCC2C(C)C2C1,0,GDB ChEMBL
338521,CC1C(=O)OCC([NH3+])CC1c1cccc(N)c1,0,GDB ChEMBL
127009,Cc1cc(Br)cc2c1C(C)CC(C)C2,1,GDB ChEMBL
26980,CCC(C)CC1(N)CC1[NH2+]C,0,GDB ChEMBL
141962,N#CCN1C(=N)NCC(C2COCO2)CC1=O,0,GDB ChEMBL
318793,CN1CCC1=[NH+]CC(O)CO,0,GDB ChEMBL
200595,CC(C[NH3+])C(=O)N(C)C(C)(C)C,1,GDB ChEMBL
301520,Cc1ccc(C(N)(C[NH3+])C(C)(C)C#N)cc1O,0,GDB ChEMBL
190825,CNC(C)(C)C(C#N)[NH+]=C(N)N,0,GDB ChEMBL
29248,CCC(C)(C)COC1CC2CCC1C2,1,GDB ChEMBL
386204,Cc1ccc(C2CCCC23CC3)c(Cl)c1C,1,GDB ChEMBL
259118,NC12CC([NH3+])CC1([NH3+])C2CO,0,GDB ChEMBL
147881,CCC[NH+]1CC(CC)(CCC(C)C)CCC1C,0,GDB ChEMBL
290280,CC1(CCCCC#CCC[NH3+])OC1CC[NH3+],0,GDB ChEMBL
263853,C#CC12CC(C)(O)CC1OCCN2C,0,GDB ChEMBL
150158,CCC(C)C1=CC(C)[NH+](C)C1,0,GDB ChEMBL
163372,CCC(=N)N1C(=N)CCCCCOC(C)C1=O,1,GDB ChEMBL
7836,CC1C2CC3(CC3)C1C(O)CC[NH2+]2,0,GDB ChEMBL
384825,CCCOCC(=O)Oc1nsnc1C#N,1,GDB ChEMBL
218552,C=CC1(C)C2CC(O)C1C(CO)[NH2+]2,0,GDB ChEMBL
161012,C#CC1(OC)CC([NH3+])C1NS(C)(=O)=O,0,GDB ChEMBL
41649,CC(O)CC1([NH3+])CNC(=O)COC1CCO,0,GDB ChEMBL
2976,CCCNC(C[NH3+])C1(N)C2OC1C(O)C2O,0,GDB ChEMBL
16730,COCC1(CO)C(=O)OC(C)C1C#N,0,GDB ChEMBL
349974,CC1CCC2C3C(=O)OC3C[NH+]2C1,0,GDB ChEMBL
44583,CCCC(C)(O)C(C(C)C)N1C(C)C1CO,0,GDB ChEMBL
350904,C[NH2+]C1(C)C(O)C(C)OC(=O)C1C(N)CC#N,0,GDB ChEMBL
388292,CCC1CC2(CC(C)C)CCC([NH3+])C1(C)OC2,0,GDB ChEMBL
389027,CNC(=O)CCC(CC1[NH2+]CC1OC)=NO,0,GDB ChEMBL
394942,CC(=O)NC(C)C1(C)CN1,0,GDB ChEMBL
387104,[NH3+]C1C(CO)OCC(NC=O)C1O,0,GDB ChEMBL
350645,CC1OC23CCCC(C2)[NH2+]C3C1O,0,GDB ChEMBL
338494,CC1OC2C([NH3+])CC(O)(C2C)C1O,0,GDB ChEMBL
93458,CN1Cc2ccc(cc2)Cc2ccc1cc2,1,GDB ChEMBL
378557,CCOCCN1CCc2sccc21,1,GDB ChEMBL
65591,CN1CC2([NH+]=C1N)C(C(=O)[O-])C2S(C)(=O)=O,0,GDB ChEMBL
24239,CCC(=O)NC(CN(C)CC1CC1O)=NC,1,GDB ChEMBL
362344,CC1CC2(CO)CC(=O)C(CC1O)C2(C)C,0,GDB ChEMBL
42542,Cc1cn2cccc2c(CCCO)c1I,1,GDB ChEMBL
148526,N#CC(CO)C(CCO)OC=O,1,GDB ChEMBL
17518,CCC1(CC(C)(C)C)CCC1,1,GDB ChEMBL
215301,CCN1C(=O)NCC2OCC21,1,GDB ChEMBL
97120,CC[NH2+]C(C=O)CC(C=O)C(O)C(N)=O,0,GDB ChEMBL
160055,COCC(=O)Cn1ccc(=O)nc1,1,GDB ChEMBL
33335,C[NH2+]CC1CCC(=O)C1,0,GDB ChEMBL
277396,CCCOC(C)(CCC)COC(C)(C)C,1,GDB ChEMBL
45667,CN1CC2(C)CC(C2)C(=O)C1=O,0,GDB ChEMBL
118347,C#CC1C(C)Cc2ccccc2C1C,0,GDB ChEMBL
294225,Cc1cc(N)cc(CC2(C)CCOC2)c1F,1,GDB ChEMBL
26057,CCC(CC)(CC#N)C(C)C,1,GDB ChEMBL
177042,CC1C(CCO)[NH+]2CCC(O)C1(C)N(C)CC2,0,GDB ChEMBL
51000,CCC1C2C(C)C(C)C1C1C=CC2C12CC2,0,GDB ChEMBL
90316,CCC(C#N)(CNC(C)CO)N1CC1,1,GDB ChEMBL
309656,CC(=O)C(=NCCCC(C)O)NCC(C)C,0,GDB ChEMBL
355396,CCC[NH2+]C1CCC1N,0,GDB ChEMBL
383743,CCCCCC1N=C(CCO)N(C)C(=O)C1O,0,GDB ChEMBL
308159,NC1(C[NH3+])C=CN(C(=O)CC(=O)[O-])C1=O,0,GDB ChEMBL
255418,CCC(CC[NH3+])C1(OC)C=CC=C1,0,GDB ChEMBL
79320,CC#CC1CC2CC(=CCC[NH+]1C)C(=O)O2,0,GDB ChEMBL
17633,CC(C)C1CC(c2ccccc2)(C(C)O)C1,1,GDB ChEMBL
340001,CC1NC(C=O)CC[NH2+]C1(C)C(=O)[O-],0,GDB ChEMBL
339019,CNC(C(N)C[NH2+]C)C(NC)C([NH3+])C(C)O,0,GDB ChEMBL
109721,COC1CC(O)C(C(N)=[NH2+])(C(N)=O)C1N,0,GDB ChEMBL
21672,C#CC([NH3+])CC1CC1C(C)NC(=O)OC,0,GDB ChEMBL
199018,N#CCN=C(N)NC(=O)C[NH3+],1,GDB ChEMBL
76988,CC1=CC2CC(C)C1CC2[NH2+]C1CC1,0,GDB ChEMBL
70085,N=C1NCC(=O)N1Cc1cnsn1,1,GDB ChEMBL
96048,CCC1c2c(cc(Cl)c(C)c2C)CC1C,1,GDB ChEMBL
382617,COCC1CC[NH+]2CC(O)C3(CC3)C12,0,GDB ChEMBL
185986,N#CC1C(CCCNC(N)=[NH2+])CS1(=O)=O,0,GDB ChEMBL
305324,CC1OC(C)C(CO)C2CC2C1O,0,GDB ChEMBL
274141,N#Cc1sccc1CCC1CC=CC1,1,GDB ChEMBL
117392,CC(CO)[NH2+]C12CC(O)(C1)C2,0,GDB ChEMBL
203469,CCOC12C=CCC1[NH2+]CCC2=O,0,GDB ChEMBL
354460,COCC12CC(CC1O)C1CC2C(=O)NC1=N,0,GDB ChEMBL
177101,CCCc1cc(CCNC=O)c(C)n1C,1,GDB ChEMBL
5005,CCOC1(COC)CC(NC=O)C1[NH3+],0,GDB ChEMBL
383735,CNC12CC(C)[NH+](C3CCCNC31)C2C(C)C,0,GDB ChEMBL
142542,[NH3+]C1C2CC(O2)C1NC(CO)C(=O)[O-],0,GDB ChEMBL
171833,CC1=CC2(C)CC(C1)C(C(N)=O)C2(C)C,0,GDB ChEMBL
20530,C#Cc1cnc(N)sc(O)cc(CCC)c1,0,GDB ChEMBL
58504,COCC(=O)C(=O)CN1CC2CC(C1)[NH2+]2,0,GDB ChEMBL
137382,Cc1[nH]c(=O)nc(OCCO)c1C,1,GDB ChEMBL
136087,C[NH2+]C1CNC(=O)C(O)C1N,0,GDB ChEMBL
291867,C#CC1CC1c1cc(Cl)cc2c1COC2C,0,GDB ChEMBL
163857,O=C([O-])CC12CC(C1)NC(=O)N2,0,GDB ChEMBL
256184,C#CC(C)C(C)OCC(C)CCCO,1,GDB ChEMBL
276141,CC1CCNC(C=O)C[NH+]2C(CO)CCC12,0,GDB ChEMBL
385965,CCCC1(C)C(CO)N2CC1([NH3+])C2,0,GDB ChEMBL
175543,C#CCC(C)[NH+]1CC2CC1(C)CC(C)N2C,0,GDB ChEMBL
358512,CCCC1(CO)[NH2+]CCC1(O)CO,0,GDB ChEMBL
207943,CCC([NH3+])C(=O)N(C)CC[NH3+],0,GDB ChEMBL
26412,CC1(C)OC2c3cc(Cl)ccc3C3C2C31,1,GDB ChEMBL
95151,COC(=O)NC1C(=N)OC1CO,1,GDB ChEMBL
263453,CC(=O)NCc1nn(CC(C)O)nc1N,0,GDB ChEMBL
382504,C[NH2+]C1(CN)C(N)COC(C(=O)[O-])C(O)C1O,0,GDB ChEMBL
389591,Nc1nc(N)c2c(F)nc(C=O)c(C=O)c2n1,0,GDB ChEMBL
366074,CCC(C)(O)C1CC(C)(C)CC=C1C(C)C,0,GDB ChEMBL
301507,COc1noc2c1CCCC(OC)CC2[NH3+],0,GDB ChEMBL
18379,CCC(O)C1C=C(C)CC[NH2+]1,0,GDB ChEMBL
12853,C#CCCC1C(C)CC(C)C1(C)C,1,GDB ChEMBL
241123,CC1CCCC(C)C2CCC(C)(C)C2C1,0,GDB ChEMBL
383984,CCOC(CO)=NC(CNC=O)C(=O)[O-],0,GDB ChEMBL
281624,COCC1C(C(=O)[O-])N1C(=O)S(N)(=O)=O,0,GDB ChEMBL
183444,C#CC(C#N)CC1=CCCOC1=O,0,GDB ChEMBL
244350,O=C1CC(OC2C[NH2+]C2)OCCO1,0,GDB ChEMBL
299166,CCCCc1c(C[NH3+])cc(Br)c2occ(C)c12,1,GDB ChEMBL
259561,COC1C=CCCC=C(CO)C1,0,GDB ChEMBL
23571,CC1OC(C2CC[NH2+]2)C(C#N)C1O,0,GDB ChEMBL
166440,CC1([NH2+]CCCC(N)=O)CCCOC1,0,GDB ChEMBL
310164,[NH3+]CC1C2OC(C(=O)[O-])C1(O)CC2O,0,GDB ChEMBL
142335,CC(=O)C[NH2+]C(C(C)O)C1CC(C)OC(=O)N1,0,GDB ChEMBL
221943,O=C1CCN2CC3CC1C2CO3,1,GDB ChEMBL
305159,CNC(=[NH2+])CC1(C)C(=O)OC(CO)C1=NO,0,GDB ChEMBL
313310,Cc1c(C(=O)[O-])nnn1C,0,GDB ChEMBL
282249,CCCOCC1(C)[NH2+]CCC1[NH3+],0,GDB ChEMBL
172353,N#Cc1ccnc2cc(N)[nH]c12,1,GDB ChEMBL
316301,CC(CCC#N)C1CC2OC(=O)C2N1,0,GDB ChEMBL
181416,CC(CC1[NH2+]CC(C#N)C1C)OC(N)=O,0,GDB ChEMBL
110245,CCCCC12C=C(C)C(CCC1)CC2,0,GDB ChEMBL
119234,COC(=O)N1CCC(C(N)=O)S1(=O)=O,1,GDB ChEMBL
198688,CCCC1C(CO)N(C)C2C3[NH2+]CC(C)C132,0,GDB ChEMBL
191724,CCC1(C)CCC=C2C(CO)C(=O)CC21,0,GDB ChEMBL
376964,CCCN(CC)c1c(I)cncc1I,1,GDB ChEMBL
61940,CCN=C(COS(N)(=O)=O)NC(N)=[NH2+],0,GDB ChEMBL
334478,CC(CNC(N)=[NH2+])N1C2CCC([NH3+])C21,0,GDB ChEMBL
234376,CC1CC2C1[NH+]=C(NCCO)N2C,0,GDB ChEMBL
75035,CCC[NH+]1C2CCC(CC1(C)CC#N)C2(C)C,0,GDB ChEMBL
133994,CCc1cc(I)c(I)cc1CC1CCCC1C,1,GDB ChEMBL
235689,CN1C(=O)CCc2cc(Br)c(O)cc21,1,GDB ChEMBL
371676,CCC1C[NH2+]C(CC(C)C)CC1(C)CC,0,GDB ChEMBL
26595,CCCC(CC)CC12CCCC1CC(C)CC2,1,GDB ChEMBL
225373,N#CCC(O)C1C=CCN1C(=O)C(=O)[O-],0,GDB ChEMBL
398194,C#CC(CC(CC)CC(C)C)C(F)(F)F,1,GDB ChEMBL
379140,C#CC(CC)OCC(CO)C(F)(F)F,1,GDB ChEMBL
77254,C=C(C1[NH2+]CCC1=NO)N(C)C(C)=O,0,GDB ChEMBL
376639,CC1OC(CO)C(CCOS(N)(=O)=O)O1,1,GDB ChEMBL
120854,COC1C(=O)NCC(N)(C(N)=O)C1(O)CO,0,GDB ChEMBL
152592,CCC1CC2C1NC(=O)N2C,1,GDB ChEMBL
77368,CCC1C[NH2+]C(C)CCC(C(C#N)CO)C1,0,GDB ChEMBL
273967,N#CC(O)C1C=CCN1C1CC=CCCC1,1,GDB ChEMBL
133308,COC(=O)C(C)N(C=N)C=N,0,GDB ChEMBL
119407,NC(=O)C1NCC2([NH3+])CC2C1O,0,GDB ChEMBL
389438,CCC1CC2OC1C=CC=CC2=O,1,GDB ChEMBL
262519,CN1CCCCc2c(CC(N)=O)noc21,1,GDB ChEMBL
45665,CC1CC=CCC(CC[NH3+])(C2CC2)C1,0,GDB ChEMBL
4892,CC12C=CC(CC3C(=O)OC31)NC(=O)O2,0,GDB ChEMBL
384842,CNC1(CC(C)C)C(=O)CNC1=O,0,GDB ChEMBL
300933,CC1=CCCC2(C)CC(C(C)C[NH3+])CC12,0,GDB ChEMBL
354322,C#CC(=N)N(CC)C(=O)CCC1CCC(C)O1,1,GDB ChEMBL
130398,CC12C3C=CC(C3)C13Cc1ncccc1C23,0,GDB ChEMBL
132286,CCC12CNC(=[NH2+])N(C)CC1C(OC)CC[NH2+]2,0,GDB ChEMBL
112641,O=C1C2COC(C2)CN1C1C2NCC[NH2+]C21,0,GDB ChEMBL
141984,CCC1CCC2CC3(CCCC3)CCC1(C)C2,0,GDB ChEMBL
240775,CCC1(C)CC2OC(C)(C)CC([NH2+]C)C1C2C,0,GDB ChEMBL
221344,CC(C)C1CCCC1(C)CC1CC[NH+](C)C1C,0,GDB ChEMBL
115027,Cc1nc(CC(C)C)ccc1Br,1,GDB ChEMBL
378109,[NH3+]CC[NH+]=C1NCC=CCN1,0,GDB ChEMBL
295903,C[NH2+]CC1CC(C(N)=[NH2+])CN1C,0,GDB ChEMBL
82152,C#CC(C)c1nccc(O)c1Cl,1,GDB ChEMBL
77300,N=C1NC(=O)CC(O)(C(=O)[O-])CO1,0,GDB ChEMBL
309815,Nc1cnc(COCCO)cn1,1,GDB ChEMBL
260735,CCCOC1(C(C)CC(C)O)C(C)C1C,0,GDB ChEMBL
161817,CC1CC2CC[NH2+]C(C1)C2O,0,GDB ChEMBL
198855,CC1C2CCC(CO)[NH+](C)C12,0,GDB ChEMBL
355806,CCC1(C)CCCC(C2CCC(O)C2)C1,0,GDB ChEMBL
191708,C#CCC1CCCCC(C)(C#C)C(C)C(=O)N1,0,GDB ChEMBL
282230,CCC1C=CCC=C(C[NH2+]C)C1,0,GDB ChEMBL
372543,CC(=O)CCC(=O)c1ccncc1C[NH+]=CN,0,GDB ChEMBL
343216,C#CCCC([NH3+])Cc1cc(F)c(C)c(C)c1F,0,GDB ChEMBL
285116,CNC(=O)CC(C)(C)C(C)=O,1,GDB ChEMBL
289238,CC[NH+]1CC(C)OCOC2CC(=O)NC2C1C,0,GDB ChEMBL
181125,NC(=O)CN(C(N)=O)C(=O)c1csc(=O)[nH]1,1,GDB ChEMBL
209695,C[NH2+]CC12C=C(CC1=O)C(=O)OCOC2C,0,GDB ChEMBL
182925,CC(O)(C(C[NH3+])C(N)=O)C(CO)C1COC1,0,GDB ChEMBL
61722,COC1CC(O)C(O)C(N(C)C=O)C(CO)O1,0,GDB ChEMBL
81623,[NH3+]C1C2OCCCCNS(=O)(=O)C12,0,GDB ChEMBL
85698,C#CC1(OC(C)CO)CCCC(C)CC1,1,GDB ChEMBL
338318,CC1(C#N)NCC(=O)OCC(O)C1OCC[NH3+],0,GDB ChEMBL
271566,CCC([NH3+])C1CC=CC1,0,GDB ChEMBL
298944,CC1(CS(=O)(=O)[O-])C(CC#N)NCC([NH3+])C1O,0,GDB ChEMBL
48109,O=C1[N-]S(=O)(=O)C2CC1C2C(=O)[O-],0,GDB ChEMBL
372485,CC1C=CC(COS(N)(=O)=O)C(C)C(=O)O1,0,GDB ChEMBL
184898,CCCC(C=O)Cc1cccc(F)c1C,1,GDB ChEMBL
334759,CCC1CCCC(C)([NH+](C)C)C(C)(C)CC1[NH3+],0,GDB ChEMBL
108744,CCC1C=CC2CCC(C)[NH+](CC)C12,0,GDB ChEMBL
165200,CC(O)C(C=O)CO,1,GDB ChEMBL
201729,CC[NH2+]CCN=C1C2CC(C2)N1S(C)(=O)=O,0,GDB ChEMBL
361118,CC1C[NH2+]C(CO)C1C1C(C)C[NH+](C)C1C,0,GDB ChEMBL
358923,CC1CC1[NH2+]C(C)(CN)CO,0,GDB ChEMBL
40456,CC(C)C(CC[NH3+])C(C)C1CC1C(F)(F)F,0,GDB ChEMBL
378146,CNC(N)=[NH+]C1(C#N)CCCCC1O,0,GDB ChEMBL
47381,CCC1C(C)=CC(C[NH+](C)C)C1(CC)CC,0,GDB ChEMBL
151739,COC1C(O)C2CS(=O)(=O)NC2C1O,0,GDB ChEMBL
196758,C[NH2+]C(C)C1CC(NC(=O)C(=O)[O-])=NCC1=O,0,GDB ChEMBL
342392,CN1C2CC(C2O)C1(CO)C(N)=O,0,GDB ChEMBL
198802,COC1(CCO)CC[NH2+]CC1COC(=O)CO,0,GDB ChEMBL
41108,CC=CNC(=O)c1ccccc1Br,1,GDB ChEMBL
294802,C[NH2+]CC#CCOC(C)C1CC1,0,GDB ChEMBL
392710,CCC1C2CCCC(CCC2)C12CC2,1,GDB ChEMBL
278875,CC1CC(C(=O)[O-])NS(=O)(=O)C(=O)O1,0,GDB ChEMBL
107683,CCCCC1C2CCC1(CCCC#N)C[NH+]2C,0,GDB ChEMBL
321993,CC1OC(c2n[n-]c(=O)o2)C(C(=O)[O-])CC1[NH3+],0,GDB ChEMBL
360860,C#CC1CC(N)(C(N)=O)C(=O)N1,0,GDB ChEMBL
362359,CC([NH3+])CCN(C)c1nnn(C(=O)N(C)C)n1,0,GDB ChEMBL
281622,C#CC(C)c1ccnc(C#CCCC)c1,1,GDB ChEMBL
238577,CCC1C(C=NO)=CN(C)C(C(=O)[O-])C1O,0,GDB ChEMBL
242973,C[NH+](CC1=CC2(C)CC1([NH3+])CO2)C1CC1,0,GDB ChEMBL
51367,CC1CC(O)C2OC12C(O)C(N)C[NH3+],0,GDB ChEMBL
80459,CCC1C2CC(O)CC1C2C,0,GDB ChEMBL
381450,C=C(C)C1CCC(C)CC1(C)CO,1,GDB ChEMBL
129455,CC(O)CC1(O)CNC(=O)C(O)C(C#N)NC1,0,GDB ChEMBL
203193,CCCCC1(C)CC1CCO,1,GDB ChEMBL
281857,CCCC1C=CCC([NH3+])C(C)[NH2+]1,0,GDB ChEMBL
93765,CC[NH2+]CC1CC2(C=C(C)CC(C)OC2)C1,0,GDB ChEMBL
352690,CC1CC2CC3CC2C[NH+](C)C3C1,0,GDB ChEMBL
362968,CN1C2CC[NH+](C)CCCC1(C)C[NH+](C)C2,0,GDB ChEMBL
242982,CC(C)C(C)N=CNc1cccc(F)c1,1,GDB ChEMBL
93121,CC([NH3+])C1CC(N)C(=O)NC(=O)C(C(C)O)O1,0,GDB ChEMBL
50323,C#CCC(C)C1CC2CC1[NH+](C)C2C,0,GDB ChEMBL
137423,[NH3+]C1C2NC(=O)COC12C(=O)[O-],0,GDB ChEMBL
199080,COC(=NCS(=O)(=O)CCCO)NCCO,0,GDB ChEMBL
277838,CN=C1OC(C)C(=O)NC(C=O)CN1CCO,0,GDB ChEMBL
143184,CC1C=CCC(CO)C(=O)NC1,1,GDB ChEMBL
100699,CCC(C[NH3+])CC1=C(C(C)C)CC(C)C1,0,GDB ChEMBL
87088,O=CC(=O)[C-](C(=O)C=O)N(CCO)C1CC1,0,GDB ChEMBL
277892,C[NH2+]CCC1OC(CO)C1(N)C#N,0,GDB ChEMBL
289241,CCc1c(C)c(C)c2ccc(F)c(F)c2c1F,1,GDB ChEMBL
246361,O=C1NCCCC2N3CCC123,0,GDB ChEMBL
76117,C#CC(C[NH2+]C)C(CCN(C)C=O)C1CC1,0,GDB ChEMBL
29749,CN1Cc2nccc(O)c2[NH+]=C(N)NC1=[NH2+],0,GDB ChEMBL
162550,O=C([O-])C(Cn1cnnn1)C(=O)[O-],0,GDB ChEMBL
169041,CC(=N[O-])c1ncc(NCCO)c(N)n1,0,GDB ChEMBL
235485,CNC(=O)Oc1ccc(N)c(Br)c1O,1,GDB ChEMBL
292239,C#Cc1ccc(CC(C)C)c(F)c1F,1,GDB ChEMBL
94665,CNC(=O)c1nnoc1C([NH3+])CC(=O)[O-],0,GDB ChEMBL
369290,C[NH+]=CN1CCCC(N)C1,0,GDB ChEMBL
146889,COC(C#N)(CCC=O)COCCO,0,GDB ChEMBL
253579,CCC1CCCCC12CC(C)C2,0,GDB ChEMBL
179303,COC(=O)C1C(=N)N(C=O)C1C,0,GDB ChEMBL
274230,CCOCC(C)C([NH2+]C)C1(C[NH3+])CN(C)C1,0,GDB ChEMBL
330550,O=C1OCS(=O)(=O)NC1CC(O)CO,1,GDB ChEMBL
129429,CC1=C(C)N(C(=O)C(O)CO)CCC1,1,GDB ChEMBL
59684,CCC(CC[NH+]1CCCCC1C)n1cccc1,0,GDB ChEMBL
374944,CC(=NC(C#N)C(N)C(=O)[O-])NC(N)=[NH2+],0,GDB ChEMBL
138374,Cc1cnc(NCC=O)c(NC(=O)CO)c1C,1,GDB ChEMBL
204319,CC(CO)CCOc1c(CC[NH3+])ccsc1=N,0,GDB ChEMBL
125674,C#CCCn1ncnc1CC(C)(C)[NH2+]C(C)C,0,GDB ChEMBL
141957,CC1CC2(C[NH2+]1)OC(CO)C(=O)NC2C,0,GDB ChEMBL
38595,CC(=O)N(C)C1C(NC=O)CN(C)C1C(N)=[NH2+],0,GDB ChEMBL
384794,NC1=[NH+]CCc2[nH]nc(c2CO)CC(=O)CN1,0,GDB ChEMBL
148556,CCC(C(N)=[NH2+])(C(C)C)C(N)C(C)C(=O)OC,0,GDB ChEMBL
350281,CC1CCC([NH3+])C(N)C[NH2+]1,0,GDB ChEMBL
196740,CCCCn1ccsc1=[NH2+],1,GDB ChEMBL
40331,C1CC2CC1OCC21C[NH2+]C1,0,GDB ChEMBL
249567,CC1C([NH3+])C2OC(=O)CC1C21[N-]C(=O)NC1=O,0,GDB ChEMBL
236619,Cc1cc2scnc2c2c1C=CC2=O,1,GDB ChEMBL
93444,C#CC1(C)C(=O)NCC1N(C(N)=[NH2+])C(N)=O,0,GDB ChEMBL
175677,CCC1CCCCC2(C)[NH2+]C(C)COC12,0,GDB ChEMBL
18813,C[NH2+]CC1(O)C(OC)C1(C#N)C=O,0,GDB ChEMBL
357620,C=CCCCC1CC2[NH2+]CC2C1C,0,GDB ChEMBL
34373,CC(O)C1C2OC(=O)NCC21[NH3+],0,GDB ChEMBL
362672,N#CCC(=O)N1CCC2OCC(NC(N)=[NH2+])C21,0,GDB ChEMBL
288129,CC1CC2CC[NH+](C3CCC1CC3)C(C)(C)C2,0,GDB ChEMBL
47994,CC1OC(C[NH2+]CCO)C2(C)CC12C,0,GDB ChEMBL
267363,CC(CO)C1OC2CC(C=O)[NH2+]CC1C2O,0,GDB ChEMBL
9717,CCN(C(N)=O)c1c(C)ncn1C,1,GDB ChEMBL
81725,CCc1cnc2nccn2c1,1,GDB ChEMBL
391486,CCCc1c(N)cc(C)c(I)c1NC,1,GDB ChEMBL
199458,C=CC1OCC([NH3+])CC1NC(N)=O,0,GDB ChEMBL
280300,Cc1cnc([N-]S(C)(=O)=O)s1,0,GDB ChEMBL
76936,COCC[NH+]=C(N)OC1C[NH2+]C1,0,GDB ChEMBL
288903,Cc1cc2c(cc1F)CC(O)CNC=[NH+]C2,0,GDB ChEMBL
294493,C=C1CCc2cc(C#N)cc(Cl)c21,1,GDB ChEMBL
146963,CCNc1c(C)nnc(COCC)c1I,1,GDB ChEMBL
312865,CC1C2CC(CN2CC(F)(F)F)C12CCCC2,0,GDB ChEMBL
370353,C1CC2[NH2+]C(C1)C1OC21,0,GDB ChEMBL
389409,CC(C)C1C2CC=CC2CC(=O)N1C(C)C,1,GDB ChEMBL
72389,NC=[NH+]C(CO)C(N)=O,0,GDB ChEMBL
354601,CCC1CC2CC2c2c(C)ccc(Br)c21,1,GDB ChEMBL
75070,CC1OC2CCOC(C2)OC1C[NH3+],0,GDB ChEMBL
235938,C[NH2+]CC(O)C1=CCCCC1,0,GDB ChEMBL
136726,COC1(C)CC2(CCC(=[NH2+])NC2C#N)CC1O,0,GDB ChEMBL
160965,C#CC1CC2C(C)CCCC=CC2[NH2+]1,0,GDB ChEMBL
210950,COc1ncn(C(=O)NC(C)C2CC2)c1N,1,GDB ChEMBL
15586,COC(=O)N(C)C12CN(C1)C2,1,GDB ChEMBL
107024,CC(=[NH2+])NC1C(CC#N)CC(C)OC1CC[NH3+],0,GDB ChEMBL
334042,CN=COCCCC(O)CC(C)[NH2+]CC(C)C,0,GDB ChEMBL
351369,CCC(C)CCC(CC)C[NH3+],0,GDB ChEMBL
296602,CC1C=CC=CC(C)CC(C)CCC1,0,GDB ChEMBL
148827,OCC1OCCCC=C1CCn1ccnn1,0,GDB ChEMBL
34773,C#CC#Cc1cc(Cl)c(Cl)cc1CC,1,GDB ChEMBL
102286,CN=C(OC(C)C(C)[NH3+])c1nc(C)cs1,0,GDB ChEMBL
26626,CCOC1C=CCC(C)C1(C)CC,1,GDB ChEMBL
284007,CCS(=O)(=O)NC1COCC(O)(CO)C1,1,GDB ChEMBL
43523,CC1[NH2+]CCCCC2CC3CC3CC=CC21,0,GDB ChEMBL
225845,CCNC(=O)CN1C(=[NH2+])CCC1C(C[NH3+])NC,0,GDB ChEMBL
272571,CC=CC(C)(C)C1CN1CCOC,0,GDB ChEMBL
190020,N#CC1NC1CCC(=O)[O-],0,GDB ChEMBL
319295,NC(=O)C1(NCCO)CNS(=O)(=O)C1,0,GDB ChEMBL
195212,C#CC1CC(C)(C)CC2CCC(C)[NH+]1C2(C)C,0,GDB ChEMBL
118429,CCC1(CC)Oc2ccc(C#N)c(C)c2O1,1,GDB ChEMBL
315233,CC1[NH+](C)CCOCC(O)C12CO2,0,GDB ChEMBL
379853,NC(=O)C1OC(=O)NC2CC21,0,GDB ChEMBL
281804,CCC1C(C)c2cnccc2C[NH+]1C,0,GDB ChEMBL
181577,C[NH2+]C1CC2(CO2)C(C#N)C1O,0,GDB ChEMBL
64075,CCCC1CC=C(C)C2(C)CCC(C)C12,0,GDB ChEMBL
251035,C#CC1COC(C([NH3+])C(=O)[O-])C1,1,GDB ChEMBL
76762,CNC(=[NH2+])CC(N=CNCC#N)C(C)C(N)=O,0,GDB ChEMBL
358291,OC1CCC[NH2+]CC1O,0,GDB ChEMBL
67579,CC[NH+](C)C1C2CC(C)(C=CC1C(=O)[O-])O2,0,GDB ChEMBL
41283,CN(C(N)=[NH2+])C1CCS(=O)(=O)NCC1N,0,GDB ChEMBL
360833,CC(=O)C1C(NC(N)=O)C1(C)[NH+](C)C,0,GDB ChEMBL
20108,CC([NH3+])C1C(C[NH3+])C1NCCCCS(N)(=O)=O,0,GDB ChEMBL
342338,CCC1OCCNC(=O)CNC(=O)O1,1,GDB ChEMBL
34306,CC1NC(=O)NC(C(N)=O)C(=N)OCC1C#N,0,GDB ChEMBL
321430,CN(C=O)C1CCCC(O)C1,1,GDB ChEMBL
277681,CN=C(NC(=O)C(C)[NH3+])C(N)C(=O)[O-],0,GDB ChEMBL
65886,CNCC(=[NH2+])N(C)CC1NC(=O)COCC1=O,0,GDB ChEMBL
186754,CC(=O)CCC12CCC(CC1)[NH2+]2,0,GDB ChEMBL
28186,NC(=O)C1N2CCN=C3OCC(C(=O)[O-])C312,0,GDB ChEMBL
85852,COC(C([NH3+])CCO)C(O)C(=O)NC=O,0,GDB ChEMBL
380343,CC1CC(C)(O)C1[NH+]1CCC(N)C1,0,GDB ChEMBL
16532,CCC1NC(=O)C(CC#N)=C1CCC1CC1,0,GDB ChEMBL
161099,CCCC1CC(C)(C)CCCCCCC1CC,0,GDB ChEMBL
319828,O=C([O-])CC(O)c1cnsc1,1,GDB ChEMBL
25108,NC(=[NH2+])c1c([O-])c(O)nc2nc(N)sc12,0,GDB ChEMBL
362028,CC(C)C1CCC2=CCC=CC21C,0,GDB ChEMBL
161035,CCCc1[nH]c2c(c1C)CCC2,1,GDB ChEMBL
244638,N=C1CC(C(N)=O)N1C1=NCCO1,0,GDB ChEMBL
2092,O=C(CO)COC(=O)Nc1ncns1,1,GDB ChEMBL
245852,C#CCC1CC=CCC(C)C(C)(C)O1,1,GDB ChEMBL
318518,CCC(O)C1CC2C=CCCCC21,0,GDB ChEMBL
43555,CC[NH2+]CCC(C)(C)C1CC1,0,GDB ChEMBL
49130,CCCCC1=CC(CC)CC(C)C1(C)C,0,GDB ChEMBL
392536,CC1CC(C[NH3+])CC(C)(C)C2CC1CC2C,0,GDB ChEMBL
17056,CC(C)CC1C(=O)CCC2CCCC(C)CC21,0,GDB ChEMBL
142528,CCC#CC1CC=CCC=CC1,1,GDB ChEMBL
209491,C#CC1C=CC[NH+]2CCCCCC=C1C2C,0,GDB ChEMBL
333101,[NH3+]C(CO)CNCCC1C[NH2+]1,0,GDB ChEMBL
352203,Cc1ccc2c3c1CCC31CC[NH2+]C(C)C1C2,0,GDB ChEMBL
377810,CC[NH2+]C(CCC1(CO)CN(C)C=[NH+]1)C(C)C,0,GDB ChEMBL
247225,CCC1CC=C(C2CC2)C12CCCC2,0,GDB ChEMBL
360839,N#Cc1cnc(CCc2cnccn2)nn1,0,GDB ChEMBL
79636,CC1C2CCC([NH3+])C1COC2=O,0,GDB ChEMBL
208393,CC1=CCCC1C(C)(CO)C1C[NH2+]C1,0,GDB ChEMBL
26430,C#CCC(CCC)C1C2C=CC1C1CCC21,0,GDB ChEMBL
274152,COC1CNc2cc(F)ncc2NCC1C,1,GDB ChEMBL
184921,CC(O)C1CCC2(CNC2)[NH2+]1,0,GDB ChEMBL
392279,NC(=O)CCN=CNc1cnsn1,1,GDB ChEMBL
59680,COC(=O)C1(CO)NC2C(=O)NC1C2NC=O,0,GDB ChEMBL
304051,N#CC1C(N)CN1c1ccncc1,1,GDB ChEMBL
281788,NC1=NC2(CCCS(=O)(=O)CC2)C(=O)N1,0,GDB ChEMBL
227568,CC(CC(C)C(C)C)C(=O)C1(C)CCCCC1,1,GDB ChEMBL
33217,N=C1NC(=O)C([NH3+])COC2CC12,0,GDB ChEMBL
95158,C[NH2+]CC1CC1C(C)C([NH2+]C)C1CC1,0,GDB ChEMBL
109483,[NH3+]CCCOC(=O)c1cnnsc1=O,0,GDB ChEMBL
348418,CC(C)CC1=CCC[NH+](CCO)CC1,0,GDB ChEMBL
26047,COCC1Cc2[nH]cnc2C=CC1C,0,GDB ChEMBL
61662,N=C(NC(=O)CO)C(N)C(=O)[O-],0,GDB ChEMBL
319330,CCCCC12CC=CC1CCC(C)C2,0,GDB ChEMBL
322921,CCC1C2CC(C2)OCC2CCC(O)CC21,0,GDB ChEMBL
182284,CC1C2OC(=O)CC1N1C(CO)C21,0,GDB ChEMBL
235974,CCCC1CC2CC(C)C(C1CC)C(C)(C)C2,0,GDB ChEMBL
254217,CC(C)C(C)Cc1ccc(Cl)cc1,1,GDB ChEMBL
66124,C#CC(C(C#C)C(C)(CC)CC[NH3+])C(C)(C)C,0,GDB ChEMBL
133196,CCC1(C)CC2CC(C1)C(O)C(C(C)C)C2,0,GDB ChEMBL
255106,CCCCCC1(c2ccc(I)cc2)CC1,1,GDB ChEMBL
132199,C[NH2+]C(CC(F)(F)F)C(C)C,0,GDB ChEMBL
275685,N#CC(C[NH3+])C(CCO)S(=O)(=O)[N-]C=O,0,GDB ChEMBL
381435,CCCC1C(C)C2CC1C(CO)[NH2+]2,0,GDB ChEMBL
222913,C1CC2C3CC2C2CCC3[NH+]2C1,0,GDB ChEMBL
61538,N#CC1CC[NH+]2CCCC3(C(=O)[O-])NC3C12,0,GDB ChEMBL
115030,N#CC1CC2=NCCC(OCC[NH3+])C(=O)N2C1,0,GDB ChEMBL
286868,Nc1cnc(CC([NH3+])CO)[n-]c(O)ncn1,0,GDB ChEMBL
208599,CCC1C(C)(CC)CCC2CC(C)CCC21C,0,GDB ChEMBL
7430,C#CC1(C)C([NH+]=C(N)N)C[NH+](C)CCC1(C)O,0,GDB ChEMBL
182237,CN1C(=N)N(C2(C)CC2)CC1=O,1,GDB ChEMBL
151754,CCCC12CC(CC1CC)[NH2+]CC(C)(C)C2,0,GDB ChEMBL
218576,CC1C(NC(=O)C(N)CC[NH3+])C1S(=O)(=O)[O-],0,GDB ChEMBL
349929,[NH3+]CC1C2C[NH2+]C1C1OCCC21,0,GDB ChEMBL
312854,CC1(C(=O)[O-])C(O)(C[NH3+])C1(CO)NC(N)=[NH2+],0,GDB ChEMBL
313370,C#CCC=CC(CCC(=C)C)OC,1,GDB ChEMBL
109555,CC[NH+](C)C1CCC2(C)CC1C1C=CCC12,0,GDB ChEMBL
215279,CCC1CC(C)C=CCCC1(C)CC,0,GDB ChEMBL
187214,CCC([NH3+])C(C)[NH2+]C1COCC1CCCC[NH3+],0,GDB ChEMBL
227745,N=C(NC(N)=[NH2+])Nc1ccc(CO)nn1,0,GDB ChEMBL
398924,C=C1CCC=CCC[NH+](CCC)C1,0,GDB ChEMBL
204471,CCc1cc2cc(C)ncnc2c2nccc12,0,GDB ChEMBL
132826,CC1=CC(CC[NH3+])Cc2cccc(Cl)c21,0,GDB ChEMBL
113548,N#CC1(CO)C(C(=O)[O-])N1C(N)=[NH2+],0,GDB ChEMBL
221673,CC12CCC(CCCCO1)CC2,1,GDB ChEMBL
79520,CCOC1(CCC[NH2+]C)CCC1S(N)(=O)=O,0,GDB ChEMBL
254224,CC(CO)C(CNC(=O)C(O)C(=O)[O-])=NO,0,GDB ChEMBL
366762,CC1(O)CC2(C)NC(=[NH2+])OC1C([NH3+])CC2CO,0,GDB ChEMBL
34901,CC1(O)CC2CC([NH2+]CCC[NH2+]2)C2OCCC21,0,GDB ChEMBL
115249,CC(=O)C(C)C1C=C(C)CC1O,0,GDB ChEMBL
165976,CCCC1[NH2+]CCC2CCC1C(C)(C)C2C=O,0,GDB ChEMBL
328950,CCC1C2CNCC(C1O)N(CCO)C2=[NH2+],0,GDB ChEMBL
248911,CC(NC(N)=O)C(C[NH3+])C1C(C)C1O,0,GDB ChEMBL
181366,CC[NH2+]CCC1=CC(C)C=C(C)CC1,0,GDB ChEMBL
142918,CC(C(N)=O)C1C2C(O)CS(=O)(=O)N21,0,GDB ChEMBL
85856,COCC12OC1C(C)C(C#N)[N-]C2=O,0,GDB ChEMBL
293818,CC(C)CC1CCC2C(C1)CC(C)C2C(C)C,0,GDB ChEMBL
80280,CC[NH2+]CCc1cc(I)cc(I)c1C,0,GDB ChEMBL
339078,COCCCC([NH3+])CCC1OCC(C)C1C,0,GDB ChEMBL
357630,O=C([O-])C(C(=O)[O-])C(O)CO,0,GDB ChEMBL
350654,CC1CC(=O)C(C)(C(N)=O)C2OCC2N1,0,GDB ChEMBL
119447,CC1C2CCC1C1C(O)C[NH2+]C21,0,GDB ChEMBL
73246,Brc1cc(C2CC2)c2cc(Br)ccc2c1,1,GDB ChEMBL
386559,COCC(C)([NH3+])COC(=NCC#N)NC(N)=[NH2+],0,GDB ChEMBL
173894,CC1=CC(O)(C(N)=NCC(=O)[O-])C2OC2C1,0,GDB ChEMBL
28269,NC(=O)OC1CC(=NO)CC(O)C1O,1,GDB ChEMBL
8743,C[NH2+]C1C=CCC(COC)C1=NO,0,GDB ChEMBL
251472,O=C([O-])CCOC12CCCCC1C(=O)C2,1,GDB ChEMBL
136535,CC1(C)NC1C(CS(N)(=O)=O)C([NH3+])C(N)=O,0,GDB ChEMBL
122659,NC(=O)CC1C(O)C2CN2C1C(N)=O,0,GDB ChEMBL
176526,CN1CC(CCO)(C([NH3+])COS(N)(=O)=O)C1,0,GDB ChEMBL
386408,CCCC1CCC(CC(C)(C)C)C2CCC1C2,1,GDB ChEMBL
299756,O=C1NCCC(=NO)C1CO,1,GDB ChEMBL
230444,CNC(=O)C1=CC(=N)N(CCOC)S1(=O)=O,0,GDB ChEMBL
44606,NC(=[NH2+])NCCc1cnoc(=O)c1O,0,GDB ChEMBL
259711,CNC(=[NH2+])OC(C)C[NH+]=C(N)N,0,GDB ChEMBL
259458,CC1(C)C(C2CC2)CCC1(O)CC(=O)[O-],0,GDB ChEMBL
38498,CC1CCCCC1C1CC=CC=CC1,1,GDB ChEMBL
330113,CC(=O)CCNC(=O)CC(C)=O,1,GDB ChEMBL
19606,CC(O)C1=CC(C[NH+](C)C(C)C)OC1,0,GDB ChEMBL
326429,CN(C)C(=O)C1(C)CC2CC1C1(CC1O)O2,0,GDB ChEMBL
358553,CS(=O)(=O)[N-]C1(C#N)C(O)C([NH3+])C1O,0,GDB ChEMBL
346883,CNC(=O)C(O)C1CC(=NO)CC1O,0,GDB ChEMBL
200944,N=COCCNc1nc(N)[nH+]c(N)n1,0,GDB ChEMBL
223263,COc1c(C[NH3+])cc2c(c1N)C(CO)C(C)C2,0,GDB ChEMBL
252530,CC[NH+]1CCC(O)C1C(C[NH3+])COC(N)=[NH2+],0,GDB ChEMBL
13772,Cc1cc2c(c(F)c1C)C(C1CC1)CCO2,1,GDB ChEMBL
50058,CC(O)C([N-]S(C)(=O)=O)C(=O)C#N,0,GDB ChEMBL
18824,CC(O)C1CC(C2(C)CC2)[NH+](C)C(C)C1C,0,GDB ChEMBL
139804,COC1(C)CC(O)C(C#N)([NH+]=C(N)N)C1C,0,GDB ChEMBL
146899,C[NH+]1CC(C(=O)[O-])C2C([NH3+])CC(C1)N2C(N)=O,0,GDB ChEMBL
32050,COC1C(C(N)=O)CNC(C(N)=[NH2+])C(N)C1O,0,GDB ChEMBL
149400,O=C([O-])CC1C2CN3C(CO2)C13,0,GDB ChEMBL
23433,[NH3+]C1CC[NH2+]CC(O)C1NCCO,0,GDB ChEMBL
222059,CCC1OCC2(C(N)C#N)C[NH2+]CC12,0,GDB ChEMBL
217099,CN1CC(C2CC2)CNC1=[NH2+],0,GDB ChEMBL
35008,CCC1(C(C)OC)C=CCC(C)C1O,0,GDB ChEMBL
333849,CC[NH+](CC)C(C)(C)CC1CC1C,0,GDB ChEMBL
391588,O=CCCC#CCOCC1C[NH2+]C1,0,GDB ChEMBL
176541,CCCC1(C)CC(C)C[NH+](C)C1,0,GDB ChEMBL
250592,CCCC(O)c1nc[nH]c1C,1,GDB ChEMBL
259541,CCC[NH+](C)C1(C)CC=CC12CC2,0,GDB ChEMBL
391427,CC(C)CCC1C=CCCCCCC1,1,GDB ChEMBL
179469,Cc1occ(C[NH2+]C2CC2)c1N,0,GDB ChEMBL
21887,Cc1cc(F)ccc1C12CCCC=C1CC2,1,GDB ChEMBL
280713,N=C1c2c(N)noc2CN1CC(N)=O,0,GDB ChEMBL
304308,CCn1cc(C2CC(C(N)=[NH2+])C2)cn1,0,GDB ChEMBL
240784,NC(=[NH2+])NC1C(O)CC2C(C(=O)[O-])[NH2+]C21,0,GDB ChEMBL
382205,CC(C)C1(C)CC2CC1CCC2[NH3+],0,GDB ChEMBL
339229,Cc1c(N)nc2c(nc1=O)C([NH3+])CNC(=O)C2,0,GDB ChEMBL
305101,CCOC(C)C1CC(C)(CC(O)CC)[NH+]1C,0,GDB ChEMBL
332720,CC1CCC2C=CCC=CCC2C1,1,GDB ChEMBL
200741,CCC1=CC2(CC[NH+](C)C2)COCC1C,0,GDB ChEMBL
301442,C[NH2+]C1C(=N)OC(=O)C(C#N)CC1C,0,GDB ChEMBL
386458,CC[NH2+]CCc1cccc(C)c1,0,GDB ChEMBL
109213,CCN1C(=O)C2C(O)C1C1OC2C1C[NH2+]C,0,GDB ChEMBL
39717,NC(=O)C(N)(C(N)=O)C1(CO)CCC[NH2+]1,0,GDB ChEMBL
28375,CC[NH+](C)CCc1oc(=O)nnc1OC,0,GDB ChEMBL
102142,CC1=CC=CCCC(CC(C)(C)C)C1C,0,GDB ChEMBL
244581,C#CCC1CC(C)(C)C2CCC(=O)C2C1(C)O,0,GDB ChEMBL
392726,NC(=O)C1NC(=O)OC1c1ncon1,1,GDB ChEMBL
172384,CC1CCC=CC=C1COCC([NH3+])C(C)C,0,GDB ChEMBL
70361,CCCCC#CC=CC(CC)CC,1,GDB ChEMBL
126853,O=CCC1CCC2CC[NH+]1C2,0,GDB ChEMBL
260168,CCCCC(C)C(C)(CC)CCC(C)C,1,GDB ChEMBL
122687,C#CC1=CC2C[NH+](CC2C)C(C)C1,0,GDB ChEMBL
348708,C#CC([NH3+])CC(C)C(N)=O,0,GDB ChEMBL
190133,CC(O)C1CC(O)C(C2(C#N)CNC2)[NH2+]1,0,GDB ChEMBL
115889,CC1(C(CO)CCC#N)CC1,1,GDB ChEMBL
368161,C#CC(CCC)(OC)C1(N)CN=C(C)NC1=O,0,GDB ChEMBL
227317,NC(=O)c1ccc(N)c(N)c1F,1,GDB ChEMBL
204314,C[NH2+]CCC(C)C1CC[NH+]2CC12,0,GDB ChEMBL
40432,C#CC(CC(O)CC#CC)C(C)CCC,1,GDB ChEMBL
124303,C[NH2+]C(COC(N)=[NH2+])CC(=O)[O-],0,GDB ChEMBL
351392,CCC1CC2CC(O2)C(O)(C(=O)[O-])C[NH2+]1,0,GDB ChEMBL
202493,O=C(CO)NCCN=C1CCC(=O)N1,0,GDB ChEMBL
133137,CC([NH3+])CC(C)([NH3+])C(OC(C)CO)C(=O)[O-],0,GDB ChEMBL
144520,NS(=O)(=O)OC1C(=[NH2+])NCCC1[NH3+],0,GDB ChEMBL
146908,N#CCNC(=O)C1OCC2(CO)OC12,0,GDB ChEMBL
288673,CC([NH3+])CNC(=O)C1OCC(C)O1,0,GDB ChEMBL
53663,N#CC(C#N)(CC1CNC(=O)N1)C(=N)N,1,GDB ChEMBL
180959,N#CCCC1C[NH2+]CCCOCC([NH3+])CCN1,0,GDB ChEMBL
59206,O=CNC(=O)N1CCCNC(C(=O)CCO)C1,1,GDB ChEMBL
259669,CCCNc1occ(NC(=O)CO)c1[O-],0,GDB ChEMBL
190444,CC[NH+]1CCCC2=C(C[NH2+]C2)C1,0,GDB ChEMBL
150116,C[NH2+]CCCC1N=COC1C,0,GDB ChEMBL
383103,CCC1=CC(C)(C)N2CCCC1(C#N)C2,0,GDB ChEMBL
393923,CCCCC12CC(=O)N3CCC1C32,0,GDB ChEMBL
333070,CC1CCC2CC(C)C1C2=O,1,GDB ChEMBL
16010,CC1CS(=O)(=O)N2C1C2C(C[NH3+])C(N)=O,0,GDB ChEMBL
304032,CCCC(C)C1=CCC(C)CCC1,1,GDB ChEMBL
357614,CN1CC(C#N)C2N(C)C2(CO)C1=O,0,GDB ChEMBL
104694,NC(=O)C([NH3+])COC(CCO)CCO,0,GDB ChEMBL
342619,C=CC(NC=[NH2+])C(=O)N(C)C(C)C,0,GDB ChEMBL
40877,CCN(C(=O)C1CCC1)C(C[NH3+])=NC,0,GDB ChEMBL
25992,CC(C[NH2+]CCO)C(O)CC(O)S(N)(=O)=O,0,GDB ChEMBL
395968,N#CC(C[NH3+])C1CCC(C#N)(C(O)CO)C1,0,GDB ChEMBL
297296,CCC1C(C=O)=CC(C(CO)[NH2+]C)C12CC2,0,GDB ChEMBL
319773,CCC(C)CC1CC(C)(C)C2CC(C)=CC12,0,GDB ChEMBL
274123,CC1CC(C[NH3+])(Cn2cccc2C(C)C)C1,0,GDB ChEMBL
190860,C#CC1Cc2ccc(Cl)cc2C1C(C)CC,0,GDB ChEMBL
252616,CCCn1ccc(C)c1CNC=O,1,GDB ChEMBL
314947,[NH3+]C1C2CC(=O)NC(=O)CNCC1(O)CO2,0,GDB ChEMBL
332664,C#CC(c1cc(C)c(CC)c(C)c1)C(F)(F)F,1,GDB ChEMBL
136493,CCc1cc(C#N)nc(O)c(OC)csc1C,0,GDB ChEMBL
230365,CNCC(C#N)N=C(N)N1CC1,0,GDB ChEMBL
354859,C[NH2+]CC1NC(=[NH+]CC(C)O)C2([NH3+])CCC1C2,0,GDB ChEMBL
109745,Cc1occ(CC(N)=O)c1NCC(N)=O,1,GDB ChEMBL
281691,C#CCCCC1(C)CCOC2CCCC(C)C21,0,GDB ChEMBL
223983,N#CC1C2CCCN2C2CC23OC(=O)NC13,0,GDB ChEMBL
42613,CC[NH+](C)CC1CC2C(C)CC([NH3+])C12,0,GDB ChEMBL
40006,C#Cc1ccc(F)c(CC2C3CCCC32)n1,0,GDB ChEMBL
299161,C[NH2+]C1(C)CCC=CC1C(C)O,0,GDB ChEMBL
20724,C#CCC12CC(=O)NC1(C)Cc1ncsc1C2,0,GDB ChEMBL
126401,CCCC1C(C(=O)[O-])[NH+](C)C2CC2(N)C1[NH3+],0,GDB ChEMBL
384798,CC#CC1(COC)C=CC[NH2+]1,0,GDB ChEMBL
338305,CC[NH2+]CCS(=O)(=O)C(CO)NC(N)=[NH2+],0,GDB ChEMBL
98530,Cc1ccc2c(C#CCO)coc2c1Br,1,GDB ChEMBL
238574,CC(CO)C1(C#N)C2C3C=CC(CCC3)C21,0,GDB ChEMBL
175725,CCC1CC(=O)OCC2C=CCC2(C)[NH2+]1,0,GDB ChEMBL
126347,CC1CCC2C3C=CC12CCC3O,0,GDB ChEMBL
110192,CCCCC1(C)C2C=CC1C(C)CC2C,1,GDB ChEMBL
366948,C#Cc1cc(Cl)c(C(C)CCC)c(Cl)n1,1,GDB ChEMBL
153349,CC1C2CCCC1(C)CC2C[NH3+],0,GDB ChEMBL
147432,N=C(NC=O)C(O)CCC(=O)[O-],1,GDB ChEMBL
227908,CN1CCOCC1C1CNC(=[NH2+])C(C[NH3+])O1,0,GDB ChEMBL
95627,CC1CCC(C)(OCC[NH3+])C(C(C)O)[NH2+]1,0,GDB ChEMBL
31073,CC1(NC(C[NH3+])C2CS(=O)(=O)[N-]C2=O)COC1,0,GDB ChEMBL
141870,C#CCC(C)(CCCOC)CC(C)C[NH3+],0,GDB ChEMBL
127689,CCC([NH3+])C1C2OC(=O)CC21C,0,GDB ChEMBL
244521,C1CC23CC[NH+]4CCC2C1C4C3,0,GDB ChEMBL
239971,C[NH2+]C1CC(O)C2C(=O)[N-]S(=O)(=O)C12,0,GDB ChEMBL
51378,CN(CC(O)C1NC1C#N)C(N)=O,0,GDB ChEMBL
108696,CCC1CC2C(C)(C)CCCC23C[NH+](C)C13,0,GDB ChEMBL
376650,CCc1ccc(O)c(C)c1,1,GDB ChEMBL
39924,CCCN1CC(CC[NH2+]C)C([NH3+])C1=O,0,GDB ChEMBL
331168,CNc1cc(C)[nH+]c(C)c1,0,GDB ChEMBL
283985,COCCNC(=O)c1c([O-])oc(N)c1C,0,GDB ChEMBL
115965,C#CC1OCC(n2cccn2)C1(C)C,0,GDB ChEMBL
274068,CCOC(CCOCC[NH3+])CC(C)O,0,GDB ChEMBL
284858,CC(C(N)=O)C(C)(C)C,1,GDB ChEMBL
18900,CCC1CC1C1C2CCCCC1CC(C)C2,0,GDB ChEMBL
227514,[NH3+]C(CO)C1OCCOC1CO,0,GDB ChEMBL
118478,CCC(C)CC1(C)C(C(C)=O)CC(C)C1[NH2+]C,0,GDB ChEMBL
201054,CC(C)CC12CCCCC1C1CC(C[NH3+])C2C1,0,GDB ChEMBL
138399,COCC#CC1(C(=O)[O-])CC(=NO)CC[NH2+]1,0,GDB ChEMBL
186668,COC1CCC(CN=C(N)C#N)(C(C)C)CC1,0,GDB ChEMBL
252655,COCCC1CC2CCCCCC21O,0,GDB ChEMBL
252286,COCCC1CC1OS(N)(=O)=O,1,GDB ChEMBL
371733,CCC1=CC2C(CC)C(C)CCC2(C)C1C,0,GDB ChEMBL
93117,[NH3+]CCCNC(CO)=Nc1nccnn1,0,GDB ChEMBL
342357,CC1CC2CCC1C1OC(CO)CC=CC21,0,GDB ChEMBL
196528,CC[NH+](C)C(C)(C)C(O)C(C)C(C)CO,0,GDB ChEMBL
382489,Cc1ncncc1CC(C)(C)C(=O)[O-],0,GDB ChEMBL
184300,CC(C)NC(=O)C12CC(CC([NH3+])C1O)C2,0,GDB ChEMBL
260579,CNC(C[NH3+])(CC#CC[NH3+])C(=O)OC,0,GDB ChEMBL
293821,CNC(=O)C1CC(O)(CC(C)C(N)=[NH2+])C1,0,GDB ChEMBL
164703,N#CC1(O)CC(O)CNC(C([NH3+])C(=O)[O-])C1O,0,GDB ChEMBL
350663,CC1(C(CC#N)C(O)C(=O)[O-])OCC[NH+]=C1N,0,GDB ChEMBL
99075,NC(=[NH2+])N1CC2CC1C(O)C2[NH3+],0,GDB ChEMBL
161046,[NH3+]C1COC(=O)CC1(O)CO,0,GDB ChEMBL
252632,O=S(=O)([O-])CC1C2C[NH2+]C(C2)C1O,0,GDB ChEMBL
254222,COC1CCC(O)C1C1(C)CO1,1,GDB ChEMBL
294436,CS(=O)(=O)NCC(N)C1(C#N)C(O)C1O,0,GDB ChEMBL
233427,CC#CC1CCCCC1(C)OC,1,GDB ChEMBL
331754,CCCCC1(C)CCC1C(C)C(C)CC,0,GDB ChEMBL
354638,CC(CC1CC1[NH3+])C[NH+]1CCC1,0,GDB ChEMBL
203159,N=C1NC(=O)C2([NH3+])CC(O)C(CO)C1C2,0,GDB ChEMBL
322857,NC(=O)C1NCC(=NO)C(O)(CCO)C1O,0,GDB ChEMBL
208231,CC(C)(C)CC1C(=O)C2CCOC2CC1CO,0,GDB ChEMBL
104410,CCOCCC(CC)c1ccc(F)cc1,1,GDB ChEMBL
354976,N#CC1(NC(N)=O)CC1O,1,GDB ChEMBL
69584,CCC1CCC2C3CCCC(C)C3CC12CC,0,GDB ChEMBL
15556,O=C1C=CC(O)C(O)C(CO)O1,1,GDB ChEMBL
360800,CC1NC2C(CO)CC(O)(C1=O)C21CCOC1,0,GDB ChEMBL
218350,CCC1CC1CC(C)C(C)CCC(C)C,0,GDB ChEMBL
379673,CCC12CC=CCCCC(C)C1C2,0,GDB ChEMBL
127041,CC(C)C(C)C[NH+](C)CC1CN1,0,GDB ChEMBL
355161,CCC1C2CC[NH+](C)CC1C1(C)CCC2C1C,0,GDB ChEMBL
262584,CC1CC2OC(CO)C1C2CO,0,GDB ChEMBL
210392,CC[NH+]=C1NCCC([NH3+])C1O,0,GDB ChEMBL
310308,CC[NH2+]CC1(N)C(C(N)=O)C1C([NH3+])C(N)=O,0,GDB ChEMBL
64048,CCCC12CC(CC1CC(C)C)C2,0,GDB ChEMBL
286871,CC1(CN)C(=O)OCCC2CC[NH+]1C2,0,GDB ChEMBL
173967,NC(=O)N1CC(C[NH3+])(OC2COC2)CC1=O,0,GDB ChEMBL
345700,CC1CCCCCC1(C1CCCC1)C(F)(F)F,0,GDB ChEMBL
365800,CNc1ncc(C2OCOC2=NCC(=O)[O-])s1,0,GDB ChEMBL
167302,CC(C)(C)[NH2+]C1(CC(O)C(C)(C)C)CC1,0,GDB ChEMBL
246431,C=C1C[NH2+]C2CC3CCC1(C)C2C3,0,GDB ChEMBL
204358,Nc1nc(Cl)cc(O)c1CNC=O,1,GDB ChEMBL
12721,O=C1OCCC12OCC1CC[NH2+]C2C1,0,GDB ChEMBL
331711,CC(O)(CO)C1CC(C(N)=O)S(=O)(=O)N1,0,GDB ChEMBL
395587,CCc1onc(CC(=O)[O-])c1[O-],0,GDB ChEMBL
333878,Cc1cc(CC(=O)C#N)cc(C)c1F,1,GDB ChEMBL
354456,C#CCC(CCCCC)CCCCCC(C)C,1,GDB ChEMBL
307950,C1=CC2=CCC(OCCCC1)C1[NH2+]CCC21,0,GDB ChEMBL
338487,Cc1nccc2c1C(C)CC2c1ccsc1,1,GDB ChEMBL
59575,CC(O)C(O)C1NC1C(O)C(N)=O,0,GDB ChEMBL
300214,CC1OCCC1C(O)C(C)(C)C,1,GDB ChEMBL
218568,COC12CC(C)(O)CC1CC(C)NC2=O,0,GDB ChEMBL
325249,[NH3+]C1C2CNC1(CC(=O)[O-])CC(=O)O2,0,GDB ChEMBL
4895,CC1CC2OC(OC2C)C2(C)C[NH2+]CCC12,0,GDB ChEMBL
18642,OCC[NH2+]CC1(CO)CCC(C(O)CO)CO1,0,GDB ChEMBL
104610,CC1=CCC2(C(O)CN(C)C2C#N)C1C,0,GDB ChEMBL
321420,C#CC1CCC(C#N)(C(CC)OCC(C)[NH3+])N1,0,GDB ChEMBL
115188,CCC(C)C([NH3+])c1scnc1C,0,GDB ChEMBL
157709,CC1[NH2+]C2CCC(C)(C2)C1O,0,GDB ChEMBL
351296,CCCC1C[NH2+]C1C(C)C[NH3+],0,GDB ChEMBL
139811,C#Cc1cc(O)c(Cl)c(N)c1CC1CN1,0,GDB ChEMBL
206855,C#CC1(Nc2ccc(C#CCC)cc2)CC1,1,GDB ChEMBL
182465,COCC1=CC(CC(N)=[NH2+])C(O)C1,0,GDB ChEMBL
240799,C[NH2+]C(C(N)=O)C(C)CC(N)=[NH2+],0,GDB ChEMBL
363154,C#Cc1cc(C2CC2CO)cc(C)c1CC,1,GDB ChEMBL
149933,CCc1c(C)cccc(C)cncc1C(C)C,0,GDB ChEMBL
98626,CCC1=CCCC(C[NH3+])CCCCC1CC,0,GDB ChEMBL
284885,N=C(NC(C=NO)=NCC(N)=O)OCCO,0,GDB ChEMBL
318078,C#Cc1c(Br)cc(Br)c(CC(F)(F)F)c1C#N,1,GDB ChEMBL
164682,CCOCC(C)([NH3+])CC[NH3+],0,GDB ChEMBL
263272,CCCC(C)C1(C)C(C)C[NH+](CCC)C1(C)C,0,GDB ChEMBL
124130,CC[NH2+]Cc1cn(C)c2nc(C(O)CO)sc12,0,GDB ChEMBL
81438,N#CC1C(C[NH3+])NC(CC(N)=O)C1N,0,GDB ChEMBL
35303,OCCCC1[NH2+]CC1O,0,GDB ChEMBL
200943,CC(O)CC[NH2+]C1CCC([NH3+])C(C)(C)C1,0,GDB ChEMBL
174827,COCC1OC2C3CC3C1C2CC[NH3+],0,GDB ChEMBL
180041,CC(C)CC1(O)CNC(=O)C1,1,GDB ChEMBL
39819,C#CC([NH3+])CC(CC)c1ccc(CC)cc1Br,0,GDB ChEMBL
350959,NC(=O)CNC(=O)c1cnon1,1,GDB ChEMBL
312244,CC1CC(n2ccc(O)n2)C2CCC[NH+]1CC2,0,GDB ChEMBL
161066,CC1C2CCC(C)(C2)C1Cc1ccccc1F,0,GDB ChEMBL
2122,CC([NH3+])CCC1N(C)C1(C)C(=O)[O-],0,GDB ChEMBL
101526,CCC12C([NH2+]C)C(=O)NC(=O)C1(C)C2O,0,GDB ChEMBL
242673,O=C([O-])c1c([O-])oc2c3c(c(I)cc12)OCO3,0,GDB ChEMBL
40235,O=C1NCCC=CCCO1,1,GDB ChEMBL
387077,CCCCC1C(OC)CCN1C1CC1C#N,0,GDB ChEMBL
276129,COCc1c(OC)c(=O)ccn1C,1,GDB ChEMBL
144568,CC12C3COC1c1cc(O)cc(Br)c1C2C[NH2+]3,0,GDB ChEMBL
81439,O=C1NC2CC3(CCC1C3=O)C2,1,GDB ChEMBL
280659,CC1C(=O)C2C(CO)[NH2+]C1C2O,0,GDB ChEMBL
367654,CC1[NH2+]CC[NH+]2CCC1C1CC1C2C,0,GDB ChEMBL
352651,CCC(NC1CNC1=[NH2+])C(=O)[O-],0,GDB ChEMBL
127264,Cc1ccnc2cnc(CCO)n12,1,GDB ChEMBL
77028,CC#CC(NC)C([NH3+])CCC,0,GDB ChEMBL
277610,CC#CCC1C=CC2C1CC1CC[NH+](C)C12,0,GDB ChEMBL
124317,COCC1(CC(N)=O)CO1,1,GDB ChEMBL
190829,C#CC(C)(CC(F)(F)F)Oc1cccnc1Br,1,GDB ChEMBL
191325,CNC(=O)C(C#N)C(=O)n1nccn1,0,GDB ChEMBL
259103,COCCC1CC1(C[NH3+])N1CC1C,0,GDB ChEMBL
208308,CCNC(=[NH2+])OCCOc1c(N)ncnc1F,0,GDB ChEMBL
321986,CC12CCCC1CC([NH3+])C1CC12,0,GDB ChEMBL
33523,CCC1(C)CCC[NH2+]C(CC2CCCC2C)C1,0,GDB ChEMBL
132531,CC1NC2C(=O)OC(C)C1CC2(C)C#N,1,GDB ChEMBL
97728,CC[NH2+]CCOCC(C)C,1,GDB ChEMBL
285080,Cc1cc(F)c(C2CC2)c(C(C)(C)[NH3+])c1C,0,GDB ChEMBL
96087,CCC1OC(C)(C)C2CCC(O)C(C)C12,0,GDB ChEMBL
84593,CC1NC(=[NH2+])CN(C)C(=O)COC1(CO)CO,0,GDB ChEMBL
64287,CC1C(O)CC(O)C1OCC#N,1,GDB ChEMBL
333085,CC#Cc1ccnc(CC)[nH]c(C)cn1,0,GDB ChEMBL
62070,NC(=O)C(C[NH3+])CC1[NH2+]CC1N,0,GDB ChEMBL
66688,CNC1C(C#N)OCOC(=O)NC(=O)C1CO,0,GDB ChEMBL
9802,CCC1OCC2C(C)C1[NH+]1CCC2(C)C1,0,GDB ChEMBL
181683,Cn1nc([O-])c(O)c1C(O)CO,0,GDB ChEMBL
245531,OC(CCC1CC1)C1CC1,1,GDB ChEMBL
339254,COC1(C)CC(O)CC1c1[nH]cnc1C,0,GDB ChEMBL
280459,CC1NC(=O)C2C(O)CC1C2C,0,GDB ChEMBL
286280,CCC1CCCC=C1C1(CC(F)(F)F)CC1,0,GDB ChEMBL
259319,C#CC(C[NH2+]C)Cc1cc(CO)ccc1CO,0,GDB ChEMBL
254875,OCCCC1C2NCC(O)C[NH2+]C1C2=NO,0,GDB ChEMBL
203543,CCC1CC2CC=CC(C(C)C1)C(C)(C)C2,0,GDB ChEMBL
379408,[NH3+]CC1NC(C(=O)[O-])C([NH3+])C2OC12,0,GDB ChEMBL
83027,CC1C2CCN3C1C=CC23,0,GDB ChEMBL
48466,CC1CCC2CCC1C21CC1,1,GDB ChEMBL
181719,CC[NH+]1CCC2OC(C)(C#N)CC(O)C21,0,GDB ChEMBL
51849,CC(=O)NC1(C#N)CC1(N)C(=O)[O-],0,GDB ChEMBL
141992,Nc1cnc(C2CC(=O)C2)cn1,1,GDB ChEMBL
317188,CCC1C(=O)N(CC)C1C=O,1,GDB ChEMBL
29636,CCCOC1CN2c3cc(C#N)sc3CC12,0,GDB ChEMBL
111469,C#CC1C([NH2+]C(C)CO)C(CC[NH3+])C1(C)C,0,GDB ChEMBL
382175,CCC1(CC(O)CO)C=CC(N)C(=O)O1,0,GDB ChEMBL
97779,C#CCC(C)C(Cc1cc(Cl)ccc1Cl)OC,1,GDB ChEMBL
354878,O=C1CC2C(CO)[NH2+]CC2C1O,0,GDB ChEMBL
380303,CC1(C#N)C(=O)[N-]C(C[NH3+])C(CO)NC1C[NH3+],0,GDB ChEMBL
62088,O=C1C(O)CC(O)C=CN1C(CO)CO,0,GDB ChEMBL
395591,C=CC1C2CCC1(C[NH3+])C(CC)C2,0,GDB ChEMBL
224038,CCn1cccc([N+](=O)[O-])c([O-])cnc1,0,GDB ChEMBL
296288,CCCCC(C)(C)C1=CCC(C)([NH+](C)C)C1,0,GDB ChEMBL
382470,CC#CC(CCC)N(C)C(N)=O,1,GDB ChEMBL
144513,NS(=O)(=O)OCC1COCC(=O)O1,1,GDB ChEMBL
132570,C#CCC(=[NH2+])NCCS(N)(=O)=O,0,GDB ChEMBL
358467,C=C(C)Cc1ccc(Cl)cc1C=O,1,GDB ChEMBL
49110,CCC#Cc1c(C)c(C2CC2)cc(Br)c1Br,1,GDB ChEMBL
363568,COC(CC#N)c1cnccc1[N+](=O)[O-],1,GDB ChEMBL
159695,C[NH2+]C1CC2(C)C(O)CC1C(C)C2C,0,GDB ChEMBL
318788,C1=CCCC2=C(C=CC1)c1ccccc1C2,0,GDB ChEMBL
243730,Nc1cc(=O)nc(C=O)c(CCCCO)c1N,0,GDB ChEMBL
280886,C=CC(C)C1CC1C(=O)NCCO,0,GDB ChEMBL
379247,CCC1[NH2+]CC1(C)C(C)([NH3+])CCOC,0,GDB ChEMBL
338274,CCC1(S(=O)(=O)NC)C2C[NH2+]C1C(=O)N2,0,GDB ChEMBL
105129,NC(=O)C1CNC(=O)C1(O)CO,0,GDB ChEMBL
238003,CCC1(c2cccc(Br)c2N)CC1,1,GDB ChEMBL
394280,CNC1(C#N)CNS(=O)(=O)C1,1,GDB ChEMBL
222083,COC1(C(N)=O)C(N)C1[NH+](C)C,0,GDB ChEMBL
351418,C#CCC1CN(C(=O)c2ccon2)C1,1,GDB ChEMBL
6493,CCc1ccc(C(=O)[O-])c(I)c1CC,1,GDB ChEMBL
223493,NC(=O)C(=O)C1=CC=CCC(CO)C1,0,GDB ChEMBL
78320,N#Cc1cc([O-])cnc1[N+](=O)[O-],0,GDB ChEMBL
39672,C=CC12CCCCC1C2COCC,1,GDB ChEMBL
258206,C#CC1COC(C)(C)C=CCCC([NH3+])C1,0,GDB ChEMBL
318556,N#CC1OC(=O)NC(C(N)=O)C1N,0,GDB ChEMBL
227510,COC(=O)C(N)CS(N)(=O)=O,1,GDB ChEMBL
92851,CCn1ccc2c1NCC(=O)N2C(C)(C)C,1,GDB ChEMBL
131918,CC(C[NH3+])C1C[NH2+]C(C(N)=O)C1N,0,GDB ChEMBL
255125,CC1CCC2CC(O)C(CC3OC2CC3O)[NH2+]1,0,GDB ChEMBL
318510,CC[NH2+]CCC(C(=O)CC)C1CC1(C)C,0,GDB ChEMBL
334135,CCCCC(=O)c1nc(CCO)co1,1,GDB ChEMBL
143518,COC(=NCCO)C1CC(=O)CC(N)=[NH+]1,0,GDB ChEMBL
34333,OCCc1cccc(I)c1C12CCCC1C2,1,GDB ChEMBL
252580,CCCC(CC)(CC)CC#CC[NH3+],0,GDB ChEMBL
331483,C#CC1C2CC(NC(=O)N2)C1C,0,GDB ChEMBL
366609,c1coc(CC23CCC(C2)C3)c1,1,GDB ChEMBL
105136,CCCC1CC(C)[c-]2[nH]c(cc2=O)C[NH+]1C,0,GDB ChEMBL
328885,CC(C)(C=O)Nc1ccnnc1C1CC1,1,GDB ChEMBL
347915,C#Cc1cc(C(C)C)c(C(C)CC)c(Cl)c1Cl,1,GDB ChEMBL
64306,COCCC1=CC2C3[NH2+]CCC(CCC1)C23,0,GDB ChEMBL
285076,N#CCCNCCNC(=O)CO,1,GDB ChEMBL
124312,C#CCC(C)(C[NH3+])OCC,0,GDB ChEMBL
339207,C[NH+]1CCC(=NO)C=Cc2c[nH]nc2CC1,0,GDB ChEMBL
163870,OC(COCC1CC1)Cc1cc[nH]c1,1,GDB ChEMBL
254975,CC1OCC[NH2+]C2CC=CC=C1C2,0,GDB ChEMBL
184522,CC(=O)N1CCC2OCC(O)C(C)(C)C21C#N,0,GDB ChEMBL
257443,C#CC1=CC(CCC)=CCC(C(C)(C)C)C1,0,GDB ChEMBL
190842,CCCC(=O)CC(C)c1cc(C)cc(F)c1C,1,GDB ChEMBL
207913,CCC(=O)OCCC(C)[NH3+],1,GDB ChEMBL
77025,CCC1C(C(C)O)C2CC2(C)C[NH+]1C,0,GDB ChEMBL
271118,CC1CC2C[NH2+]C(C)CC(C1)C(C)(C)OC2C,0,GDB ChEMBL
135444,CCOCC(C)C(CC1C[NH2+]1)C1CC1,0,GDB ChEMBL
104594,CC1CC2CCOC1C=CC[NH2+]2,0,GDB ChEMBL
152543,CC(O)(C=O)C(O)CC(C)(C)C1CCC[NH2+]1,0,GDB ChEMBL
114391,CCC1C=CC[NH2+]CC=CC1,0,GDB ChEMBL
37645,CCCCCC(C)C1CCN(C)C(=[NH2+])C(C)[NH2+]1,0,GDB ChEMBL
28981,C[NH2+]C1(COCCC2CC2)CC(O)C1,0,GDB ChEMBL
354414,NC(=O)CC(CCCO)OS(N)(=O)=O,1,GDB ChEMBL
387334,CC1CC2CC(C(C)[NH3+])C(C)(CC2O)O1,0,GDB ChEMBL
375155,N#C[C-]1C(=O)OC(C[NH3+])CC([NH3+])C1C#N,0,GDB ChEMBL
127911,CC1CCC2CC(O)(C2)C(CC[NH3+])C1(C)C,0,GDB ChEMBL
184690,COC1(CO)CNC(=O)NC1C(C#N)CO,0,GDB ChEMBL
252047,CCNC1c2nc(C)nn2CC1(C)CO,0,GDB ChEMBL
245481,CC1(C)[NH+]=C(N)CC(=O)NCCC1O,0,GDB ChEMBL
375870,NC(=O)C([NH3+])CC1(O)C(O)CC(O)C1C[NH3+],0,GDB ChEMBL
140263,C[NH2+]CC(N)C1(C(N)=[NH2+])CC1,0,GDB ChEMBL
96064,CC(C)CC1CC2OCC(C2C)C1[NH3+],0,GDB ChEMBL
201708,CC1CN(C)CC2(C(C#N)C[NH3+])CC2[NH2+]1,0,GDB ChEMBL
7360,C#CC1(CC(C)(C)OC)CC(C)(C)C(=O)N1,0,GDB ChEMBL
305967,CC1COCC(C)(C)[NH2+]C1CC(N)C[NH3+],0,GDB ChEMBL
3977,CC(CCO)NC(=O)N1CCC(C)(C)C1C,1,GDB ChEMBL
338573,[NH3+]C1CCCC1NC(=O)CCn1ncnc1O,0,GDB ChEMBL
331172,CCCc1cc(N(C)C)c(CCC)c(Cl)c1C,1,GDB ChEMBL
380249,CC1C[NH+](C(C)C)CC(C)C(C#N)N1,0,GDB ChEMBL
193252,CC12CCCCC1C1CC2NC1C#N,1,GDB ChEMBL
250579,C[NH2+]CC(N)(C(=O)[O-])C(N)C(N)=[NH2+],0,GDB ChEMBL
362232,N#CC12C(N)C1NC(C(=O)[O-])C2O,0,GDB ChEMBL
112475,CS(=O)(=O)C1CC2C(O)C(=O)N2C1,0,GDB ChEMBL
16472,CC1=CC2C(=O)OCC(C1)N2C=O,1,GDB ChEMBL
169509,CC(O)C[NH2+]C1CC2OCCC12,0,GDB ChEMBL
354349,COC1C2CN(C)C1C2=O,0,GDB ChEMBL
367614,CCc1c(C)cc(C(C)C)cc1Cl,1,GDB ChEMBL
61848,CC(C)OCC#CCC(=[NH2+])NCCO,0,GDB ChEMBL
203545,CCC[NH+](C)CCC1C=CC([NH3+])CN1,0,GDB ChEMBL
201166,CCOC1CCCCCC2CC21,1,GDB ChEMBL
259405,CC12C=CCC([NH3+])C(CC1)C2CCO,0,GDB ChEMBL
296611,CC1CC(C)(C)OC1C1CC1,1,GDB ChEMBL
153682,COCC1(CN)CC[NH2+]1,0,GDB ChEMBL
291481,CC(=[NH2+])N1CCCC(COC=O)C1C,0,GDB ChEMBL
31812,CCCN1CC(C)C[NH2+]CCCC(C)OC1=[NH2+],0,GDB ChEMBL
34908,C#CCn1cc(C(C)(C)C)c(CC)c1OC,1,GDB ChEMBL
6098,CC1[NH2+]C2CCCC1C=CC1(CC1)C2,0,GDB ChEMBL
260552,CCNC(C#N)CNC(C=O)C=O,1,GDB ChEMBL
2397,C[NH+]1CCC23CCC(O)C1C2O3,0,GDB ChEMBL
252040,CC1CCCC2(C=CCCC2)CCC1,0,GDB ChEMBL
137445,C[NH+]1CC23CC(CC=CC1C2)CO3,0,GDB ChEMBL
339246,CCC1CC2C[NH+]=C(CCCC[NH3+])NC1(C)C2,0,GDB ChEMBL
177841,N=C(NC(=O)OCC[NH3+])C1CC1C(=O)[O-],0,GDB ChEMBL
227747,C[NH2+]CCC1CC[NH2+]CC1C,0,GDB ChEMBL
221345,NCCN1CC(O)C[NH+]=C1N,0,GDB ChEMBL
309143,CC1OC(C)C2[NH2+]CCC3CC(O)CC1C32C,0,GDB ChEMBL
354796,O=C([O-])C12COCC3[NH2+]CCN1C32,0,GDB ChEMBL
48745,CCC1(O)CC2CC(C)(C1)C(C)CC2C,0,GDB ChEMBL
210440,C[NH2+]CC1(C)OC1C(=O)[O-],0,GDB ChEMBL
312505,CC1(O)C(O)C(CO)(C(=O)[O-])C1O,0,GDB ChEMBL
170396,CCCOC1CC(C[NH3+])C=C(C)CC1(C)[NH3+],0,GDB ChEMBL
344281,COC(=O)C(C)(CO)CO,1,GDB ChEMBL
143458,CC(O)(C(=O)[O-])C(C[NH3+])C(O)C1NC1CO,0,GDB ChEMBL
175688,CCCCC1C2C=CC(C2)C(CC)C1CC,0,GDB ChEMBL
328927,CC1(C)CC2(CN2C(N)=O)C(=O)O1,0,GDB ChEMBL
119428,C#CC1CCC(CCCC)CC(C)CC1(C)[NH3+],0,GDB ChEMBL
140295,CC1OC(=O)C2CC3([NH3+])CC(CCC12)OC3=N,0,GDB ChEMBL
182296,Cc1[n-]c(C([NH3+])C(=O)[O-])nc(=O)c1C,0,GDB ChEMBL
210167,CCC[NH2+]C1(CC)C(CO)OC(C)CC1(C)C,0,GDB ChEMBL
317363,CC#CCC1C(C)CCCC1CCC,1,GDB ChEMBL
223986,C#CCC(O)C1(C)C[NH+](C)C1C,0,GDB ChEMBL
362625,CC(=O)NCC(C=O)C1OC2CC(C)OC1C2,0,GDB ChEMBL
383787,CC(C)C12CCCCC(C1)[NH+](C)C(C)(C)CC2,0,GDB ChEMBL
134489,C=C(C)CCCC(C)(C)C(C)CC,1,GDB ChEMBL
294767,COCCC1=C(C)CC=C(C)C(=O)C1,0,GDB ChEMBL
189831,C[NH+]1CCNC(CO)(CC#N)C1,0,GDB ChEMBL
317986,CCCC1C2CC(C)(C)CC(C(C)C)C12,0,GDB ChEMBL
2964,C#CCC1CC1CC(O)CC,1,GDB ChEMBL
370291,C[NH2+]C1COC(=O)C1,1,GDB ChEMBL
66745,CCC1C(C)C(OC)CC1C(N)C(F)(F)F,0,GDB ChEMBL
15554,Cc1cc[nH]c1C(C)(C)O,1,GDB ChEMBL
4752,COC(COC=O)C([NH3+])CO,1,GDB ChEMBL
134770,CC1([NH3+])CN(C(=O)c2cn[nH]c2)C1=N,0,GDB ChEMBL
209891,C#CC1[NH+](C2CC2)CCC12CC2,0,GDB ChEMBL
207383,CC[NH2+]C1CC(=O)CC2CC(C1)C(C)(C)[NH2+]2,0,GDB ChEMBL
383819,CCOC(C)(C(C)OC)C1COCCCC1C,0,GDB ChEMBL
21720,CCC(O)Cc1ccc(F)c(F)c1C,1,GDB ChEMBL
288644,CC=C(CC[NH+](C)C)c1ccco1,0,GDB ChEMBL
289974,CC1C2CCC(C(=O)N2)N(C)C1C#CC[NH3+],0,GDB ChEMBL
119250,C[NH+]=C(N)NCCc1ccno1,0,GDB ChEMBL
115979,CC=CC#CC1(CCC[NH2+]C)CC1,0,GDB ChEMBL
318064,COC(=O)C1(C#N)CC1N,1,GDB ChEMBL
132232,CC1=CC2CCC(O)C=CCC(C)(C)C2C1,0,GDB ChEMBL
222204,CC1=CCCCOC1CCO,1,GDB ChEMBL
118385,N#CC1OC(C(C[NH3+])CO)CC1O,0,GDB ChEMBL
308265,CCC(C(C)C)C1C=CCCC1,1,GDB ChEMBL
143492,O=C1NCC2CCC1(CC1CCCC1)C2=NO,1,GDB ChEMBL
135777,C[NH2+]C(C)c1cc(N)ccc1F,0,GDB ChEMBL
152559,NC(=[NH2+])NCC(O)C1OCC1=NO,0,GDB ChEMBL
262267,CC1C2CC2CN2CCCCC1[NH+](C)CC2,0,GDB ChEMBL
26444,N#Cc1c(O)nc2n1CCC2,1,GDB ChEMBL
317581,CC#CC1CCCC1CC(C)OC,1,GDB ChEMBL
291492,Cc1c(C#N)cc(C2CC2)c(CO)c1F,1,GDB ChEMBL
375153,CNC1=[NH+]C(COC)C(C(C)=O)C1,0,GDB ChEMBL
305556,CC(O)c1nscc1N(CC(N)=O)C(C)(C)C,0,GDB ChEMBL
217346,C#CC(C)(C#C)CN(CCCC)CC(C)[NH2+]C,0,GDB ChEMBL
296353,CCC(C)CC1C2CCC(C(C)(C)C)C21,0,GDB ChEMBL
126897,CCCC(C)(C)C(CC)C1CC(C)CC1(C)C,0,GDB ChEMBL
176494,CCOCc1cncc(F)c1C,1,GDB ChEMBL
151260,C#CC(C)CC1(CC)CC(CCO)CC1[NH2+]C,0,GDB ChEMBL
215656,CNC1C(C#N)N(C)C2CC(O)CC12C[NH2+]C,0,GDB ChEMBL
371742,CCCC[NH+](CCC)CC1CCc2c[nH]cc21,0,GDB ChEMBL
274019,CCC12CNC(=O)C1OC(C)C[NH2+]C(C)(C)C2,0,GDB ChEMBL
350933,CC(O)C[NH+](C)CC(C=O)CO,0,GDB ChEMBL
165208,Cc1cn(C)c(NCC2C[NH+](C)C3CC23)[nH+]1,0,GDB ChEMBL
156542,CC#CCCCC#Cc1cccnc1I,1,GDB ChEMBL
126367,CN(C(=O)CC[NH3+])c1nc(O)nn1C,0,GDB ChEMBL
334427,C#Cc1cccc(CCC2CC(C)C2)c1O,1,GDB ChEMBL
398209,CC1CC2C=CCC1C(C)C2,1,GDB ChEMBL
9795,C[NH+]1CC2(C)C3C[NH2+]C2CC1C3,0,GDB ChEMBL
83007,COC(C(C)O)C1C([NH3+])CNS1(=O)=O,0,GDB ChEMBL
41622,CC(=O)NCC(O)C(=O)N(C)C(=N)C=O,1,GDB ChEMBL
209698,CC(=O)N(C)CC1(C(N)=O)CNC1C#N,0,GDB ChEMBL
111614,N#CC1CC1Cc1nc(CC(=O)[O-])co1,1,GDB ChEMBL
148785,CCOC(=O)CC1(C)CC(C=O)=CN1,0,GDB ChEMBL
55567,Brc1ccc2c(Br)c1C[NH2+]CC=CCC2,0,GDB ChEMBL
125678,CC1COC2c3cncc(F)c3C([NH+](C)C)C12,0,GDB ChEMBL
305212,CCCC1(OC(C)C[NH3+])CC1OC(=O)CC,0,GDB ChEMBL
306373,CCC(C)(OC)C(C)CC[NH3+],0,GDB ChEMBL
274934,C[NH2+]CC1(C2CCC[NH2+]2)CCC1(CO)CO,0,GDB ChEMBL
64107,CCC1=CCCC2C(C)C(C)CC12C,0,GDB ChEMBL
175553,COC1C(O)C(O)C2(CC[NH3+])C1C2(C)O,0,GDB ChEMBL
84257,N#CCCOC1CCCC(=O)OC(=N)C1=O,1,GDB ChEMBL
51819,COc1cccc2cc(C)c(I)cc12,1,GDB ChEMBL
169082,CC1CC2CC3CCC(O)C2[NH+]3C1,0,GDB ChEMBL
222902,CC(C)(C=O)C1OC(=O)NC2CC1OC2=O,0,GDB ChEMBL
7809,C=CCCCC1=CC[NH2+]CC(C)C1,0,GDB ChEMBL
37288,CC(C)C1CC(CCCO)C[NH2+]C(C)(C)C1,0,GDB ChEMBL
152552,COCCCC1C(C)C1C[NH3+],0,GDB ChEMBL
119293,CNC(C(=O)OC)C1(C)OCC(=O)O1,1,GDB ChEMBL
349482,COC(=[NH2+])NCCN1C(=O)CC([NH3+])C1C,0,GDB ChEMBL
59227,C#Cc1cc(Br)c(C2CCC2)cc1C#C,1,GDB ChEMBL
392516,C#CC1(C(CCCC)C(C)(C)CC)CCC1,0,GDB ChEMBL
193780,Cc1cc(CCC2(C)CC2)c(C)c(Cl)n1,1,GDB ChEMBL
273650,CN1CCOCc2ncc(c(Cl)n2)CC1,0,GDB ChEMBL
200603,N#CC1NCC1NS(=O)(=O)CC(N)=O,1,GDB ChEMBL
181357,CC(C)[NH2+]C1C(C)OCC(O)C1N,0,GDB ChEMBL
167321,CC1CCCC(C)(O)C#CC(C2CC2)C1,0,GDB ChEMBL
304296,CCCCCC1CC2CCC(C)(C(C)C)C1C2,0,GDB ChEMBL
265309,CCNC(=O)CN1CCC1=[NH2+],0,GDB ChEMBL
79556,[NH3+]CC1C(O)C2CC1S(=O)(=O)N2,0,GDB ChEMBL
283455,CCC[NH2+]CC(=O)CC1CC1,1,GDB ChEMBL
304363,NC(=[NH2+])N1CC(CC(N)=O)(C(CO)=N[O-])C1,0,GDB ChEMBL
121127,Nc1[nH+]c(CO)c2cn[nH]c2c1N,0,GDB ChEMBL
111586,C#CCCCC1(CCC)C(C)C1C,0,GDB ChEMBL
204505,CCCCN1CC(C#N)N=COCC1CO,0,GDB ChEMBL
291927,CCOCC#CC(C)(C[NH3+])CO,0,GDB ChEMBL
1085,CC1(C)CCN2CC(=O)CC21,1,GDB ChEMBL
398705,CC(O)CN1C2C([NH3+])C(C2CCO)S1(=O)=O,0,GDB ChEMBL
320486,C#CCC#Cc1cc2c(cc1F)CCN2,1,GDB ChEMBL
372755,Cc1cc(N)n2c1CCCC2CC(C)C,0,GDB ChEMBL
124876,CC1C(C(=O)C(N)=O)N1C(N)=[NH2+],0,GDB ChEMBL
311049,N#CC(C(N)=O)C1(NC=[NH2+])CC(O)C(O)C1,0,GDB ChEMBL
34250,[NH3+]CC1CCC([NH3+])CNS(=O)(=O)C1,0,GDB ChEMBL
276024,NC(=[NH2+])C1[NH+]=C(N)NCC1OC(N)=O,0,GDB ChEMBL
249830,CCc1cnc(C(=N[O-])C2COC2)c(F)c1O,0,GDB ChEMBL
128282,N#CCC(N)=NC(C=O)CS(N)(=O)=O,0,GDB ChEMBL
21436,CCCC1CCC(=O)COC1,1,GDB ChEMBL
116043,CC1OC2=NCCN2CCC1O,1,GDB ChEMBL
31081,CCCCCC1C2[NH2+]C3CCC=CCC3C12,0,GDB ChEMBL
300238,N#CC1[N-]C(=O)C2C([NH3+])C12CO,0,GDB ChEMBL
61306,CC#CC(C)(CC1CC1)CC(CC)C(C)C,0,GDB ChEMBL
358435,Cc1sc(S(N)(=O)=O)cc1N,1,GDB ChEMBL
161078,C#CC1CC2Cc3c(Cl)cccc3C1C2C,0,GDB ChEMBL
143510,CCCC(C)CC(CC)c1ccc(Br)c(C)c1,1,GDB ChEMBL
246827,C[NH2+]C(CN)C1(C)CCC1,0,GDB ChEMBL
75811,COC1CC2C3C1CCCC(C#N)N23,0,GDB ChEMBL
181377,C#CC1C=CCC(C)(COC)CC(C)C1,0,GDB ChEMBL
142493,CC(=O)NCC(NC=O)C(N)=O,1,GDB ChEMBL
271850,CCC1C[NH+](C)C(C)C1C(C)(O)C(C)O,0,GDB ChEMBL
375530,CNc1ccc2c(ccn2C)c1,1,GDB ChEMBL
292189,CCOC(N)=NC(C#CCC(=O)NC)C[NH3+],0,GDB ChEMBL
305803,CC1CC=CC([NH+]2CCC2)C1,0,GDB ChEMBL
194380,CCC(O)C1CCCC2CC(C)C1C(C)(C)[NH2+]2,0,GDB ChEMBL
240016,NC(=O)N(CC(O)CO)C1CNS1(=O)=O,0,GDB ChEMBL
307917,[NH3+]C1(CCO)C2NC(=O)OC1C(O)C2O,0,GDB ChEMBL
83554,NC(=O)C1NC2C[NH2+]C(C2)C1N,0,GDB ChEMBL
136547,CCCC(=CC=C(C)C(C)C)CC,1,GDB ChEMBL
184931,CNC(=O)OCCn1nc(N)nc1C#N,1,GDB ChEMBL
260561,COCc1nc(=[NH2+])[nH]cc1Cl,0,GDB ChEMBL
341175,C#Cc1cc(C(C)=NO)cc(Cl)c1C1(C)CC1,1,GDB ChEMBL
284419,COC(=O)NC1CCCC(C)=CCC1[NH3+],0,GDB ChEMBL
56680,C=C(C)C1C=CCC2CCCC21C,0,GDB ChEMBL
97179,CC1CC[NH+]2C(C)C(C)C(C1)C2CO,0,GDB ChEMBL
300168,CCC12CC(C)C(COC)[NH+](C1)C(C)C(O)C2,0,GDB ChEMBL
296996,CNC(=[NH2+])C1(CC([NH3+])C(=O)[O-])NCC1O,0,GDB ChEMBL
252053,CC1(C(=O)C(N)=O)COCC(O)CN1,0,GDB ChEMBL
29449,C#CC1C=CCCc2ccc(cc2)CC=C1,1,GDB ChEMBL
223976,CC1C(O)C2CC3CC[NH+]1C2C3,0,GDB ChEMBL
392467,[NH2+]=C1C=CC(C2CNC(=O)C2)N1,0,GDB ChEMBL
247390,OCC1C=CCCC2CC2[NH2+]C1,0,GDB ChEMBL
94700,COC(=O)[C-](C#N)C=O,0,GDB ChEMBL
83141,N=COC1C(C[NH3+])C1NC(=O)C1CCC[NH2+]1,0,GDB ChEMBL
65887,CCc1nsnc1N(CC)C(=O)CC(=O)NC,1,GDB ChEMBL
309617,CC1CC(C)(C)CC(C)C1O,1,GDB ChEMBL
245546,CC1NC1c1cc2c(C#N)noc2cc1Cl,0,GDB ChEMBL
70808,C#Cc1ccc(F)c(C(C)(CC)C(C)CC)c1,1,GDB ChEMBL
31324,CN(CC1C2COC(=O)C21)S(=O)(=O)CCO,1,GDB ChEMBL
203874,CN1C(=O)C(O)C2NS(=O)(=O)C3C2(N)C31C,0,GDB ChEMBL
231133,CC1CNC(=O)C2CC(=O)C1O2,0,GDB ChEMBL
3988,CC(O)C([NH3+])C(C)C1CCC(C)[NH+]1C,0,GDB ChEMBL
64073,COC(C#N)(CO)C(C(C)O)C(N)C(N)=O,0,GDB ChEMBL
369346,CC(CC#CCC#N)C(F)(F)F,1,GDB ChEMBL
378930,CNC1C(=O)CN(CC(=N)NC(C)=O)C1=O,1,GDB ChEMBL
174661,Cc1nc(C2(C#N)C3CCC2C3C[NH3+])no1,0,GDB ChEMBL
28297,NC1CC(=O)NC(C(=O)[O-])CC1[NH3+],0,GDB ChEMBL
101497,CC#CC[NH+]=C(N)NC1CC1CC#N,0,GDB ChEMBL
87489,CC1CC2CCOCCC2CC1C,0,GDB ChEMBL
88153,CC1C2CC3CC(C[NH3+])C2C[NH+]31,0,GDB ChEMBL
298094,CCCC1(CC)C(C)C2CCC[NH+]1C2,0,GDB ChEMBL
227246,CC1=CCC=CCOC1CC(C)C,1,GDB ChEMBL
319163,CC1([NH3+])CN=CN2c3ncc(Cl)cc3CCC21,0,GDB ChEMBL
111898,COC1CN(C(N)=O)C(=O)CC1S(=O)(=O)[O-],0,GDB ChEMBL
133143,CC1(O)CC2C[NH2+]C1C(=O)[N-]S2(=O)=O,0,GDB ChEMBL
95221,N#CC(C([NH3+])CC(=O)[O-])C1CCC(=[NH2+])N1,0,GDB ChEMBL
372693,N#CC(C#N)Nc1n[nH]c2c1C(C[NH3+])NC2,0,GDB ChEMBL
394345,CC1(CC2C=CCc3ccccc32)CCC1,1,GDB ChEMBL
294433,COC(=O)C1=CC(C)[NH2+]C12CC2,0,GDB ChEMBL
272547,CCCCC12CC3(CC3)CC1C1C=CC2C1,0,GDB ChEMBL
80346,CC1(C)C2CC([NH3+])C1C2c1ccccc1,0,GDB ChEMBL
304048,C#CCC=CC(COC)C(C)C=C,1,GDB ChEMBL
83121,CC(OCC[NH3+])C(C)C(O)c1sc(N)nc1N,0,GDB ChEMBL
122008,CN=C(CN(C)CC(C)O)Nc1ccncn1,1,GDB ChEMBL
271610,C#CC(C)(C)C([NH2+]CCC)C(=O)CC(=O)OC,0,GDB ChEMBL
170432,CCC1(C#N)CC2C[NH2+]CCC(C(O)C2)N1C,0,GDB ChEMBL
8647,CC1NC(=[NH2+])NC=[NH+]CCC(O)CNC1C#N,0,GDB ChEMBL
234894,CC[NH+](C)C1C(C)=CCC2CCOCC1C2,0,GDB ChEMBL
289978,CC1OC(=O)N2C(C#N)C2C1C[NH3+],0,GDB ChEMBL
360993,COC(C)C1CC(C[NH3+])CC2(C)CC1C2,0,GDB ChEMBL
388398,CCc1cc2c(cc1C)C1(C=CCC1)CC2,0,GDB ChEMBL
72374,CCCC1(OC)C[NH2+]C2CC21,0,GDB ChEMBL
6136,CC12CC3CCC4CC3C(C[NH+]41)C2,0,GDB ChEMBL
85645,O=CCOC(=O)Nc1nc[nH]c1C[NH2+]CCO,0,GDB ChEMBL
204801,CCC(CC[NH+]=CN)CC[NH2+]C,0,GDB ChEMBL
234852,CCC1C2CCC(C)C1COC2,0,GDB ChEMBL
296654,C=C(C)CC(C)C1CCCCC1=C,1,GDB ChEMBL
22484,C#CC1(C)OCC2[NH2+]CC21C(=O)[O-],0,GDB ChEMBL
127511,CC1(C(CC#N)C(O)CO)[NH2+]CCC1O,0,GDB ChEMBL
235582,C#CCc1cc(CCC)n(C)c1C,1,GDB ChEMBL
382976,N#CC1OC(=O)C2C([NH3+])C(O)CCOC12C[NH3+],0,GDB ChEMBL
61976,CC1C(C[NH3+])C2=CCOC2C1CCO,0,GDB ChEMBL
394328,CC(OCCC[NH3+])C(C(=O)[O-])n1cnnn1,0,GDB ChEMBL
365807,NC(=[NH2+])NCCN1CCC(N)C([NH3+])CCC1=[NH2+],0,GDB ChEMBL
303360,CCC1CC2(CCC3CC(C)CC32)CC[NH+]1C,0,GDB ChEMBL
61975,CCC(C[NH3+])C(C#N)NC=[NH+]C,0,GDB ChEMBL
227504,CC(CO)NC1C(N)(C[NH3+])C1(O)C(=O)[O-],0,GDB ChEMBL
362578,C[NH2+]CC(=O)CCC1COC1,0,GDB ChEMBL
197219,CN(C)C(=O)C1(CC=O)CNC(=O)O1,1,GDB ChEMBL
214901,Cc1oc2c(c1C#N)COC(C(C)C[NH3+])CC2,0,GDB ChEMBL
308707,C#CC(COC)CC(=O)CC(C)(O)C#C,0,GDB ChEMBL
290540,N=c1cc(CO)c(O)c(CC(=O)[O-])cnc1=O,0,GDB ChEMBL
80316,CC1CC2CN2C(=O)C(O)C1C=O,0,GDB ChEMBL
340158,Cc1cn(CC([NH3+])CCO)nn1,0,GDB ChEMBL
245879,O=C([O-])C1C2C3C[NH2+]C(C3O)C12,0,GDB ChEMBL
20712,CC1C2C(=O)NCC([NH3+])C(C(=O)[O-])N12,0,GDB ChEMBL
286870,CCC(C)(C)CC1(CCC(F)(F)F)CCC1,1,GDB ChEMBL
259634,CCC1CCCC2CC(C)(C1)C1CC21,0,GDB ChEMBL
156087,COC(=O)C1CC(=O)c2cc(C)nn21,1,GDB ChEMBL
392763,CCC(O)C1CCC(N)(CC)C1[NH+](CC)CC,0,GDB ChEMBL
64661,CN1CCC(O)(C(N)C(=[NH2+])NC(N)=[NH2+])CC1=O,0,GDB ChEMBL
118112,COC(=O)C1C2CC(O)C21C,0,GDB ChEMBL
91223,C1CC2C[NH2+]C3CC(C3)[NH+]2C1,0,GDB ChEMBL
378928,CC1CC(C)(CC([NH3+])C(C)C(F)(F)F)CC1C,0,GDB ChEMBL
115460,CCCc1c(C(C)C)cc2c(c1O)C(C)CC2,1,GDB ChEMBL
305564,Cn1ncc2c(Cl)cc(CC#N)nc21,1,GDB ChEMBL
132980,CC#CC(C([NH3+])CO)N1CC1,1,GDB ChEMBL
162535,CC(CNC(=N)C=O)C(=O)NCCNC(N)=O,1,GDB ChEMBL
138381,CCCOC1C([NH2+]C)C1(O)C=O,0,GDB ChEMBL
289992,CNC1C([NH2+]C)C1C(=O)OC,0,GDB ChEMBL
111929,CCC1=CCC=CCC2(CNC(=O)C2)C1,0,GDB ChEMBL
317180,CS(=O)(=O)CCN=C(C=O)Nc1nccs1,1,GDB ChEMBL
386162,CCc1c(CO)csc1NC1CC(C)(O)C1,0,GDB ChEMBL
66670,CCC(CC(F)(F)F)c1ccccc1F,1,GDB ChEMBL
33150,COC1C(C)CC(O)C2OC(C)C([NH3+])C12O,0,GDB ChEMBL
84234,Nc1c[nH]cc1CC([NH3+])C(=O)[O-],1,GDB ChEMBL
387301,CN(C=O)C(C)(C)C(O)(C(N)=O)C1CCC[NH2+]1,0,GDB ChEMBL
11428,CCNc1n[nH]cc1C(C[NH3+])NCC,0,GDB ChEMBL
356489,Cc1c(C(N)=O)n[nH]c1CO,1,GDB ChEMBL
301468,COCCC1(CCCCC=O)C[NH2+]C1,0,GDB ChEMBL
142513,CCC1C([NH2+]C)CC2OC(=O)C1C2[NH3+],0,GDB ChEMBL
121705,CCN1C(C[NH2+]C)C1c1nccs1,0,GDB ChEMBL
245497,CCCC(C)[NH2+]C1C2C(C)C=CC12C#N,0,GDB ChEMBL
342395,C#Cc1c(C(C)C)c(Cl)c(C)c2oc(C)cc12,1,GDB ChEMBL
358460,C#CCC[NH+](CCC=C)C(C)C=C,0,GDB ChEMBL
31372,CCOCC1(CC([NH3+])C(O)C[NH3+])CC1[NH3+],0,GDB ChEMBL
308109,CCn1ccc(C(C)(C)N(C)CC#N)c1C[NH3+],0,GDB ChEMBL
104704,CC1=CC(C)OC(C)C2C(C1)[NH2+]CCN2C,0,GDB ChEMBL
25232,CC(CO)[NH2+]CCOC(=O)n1nccnc1=O,1,GDB ChEMBL
316096,C=CC([NH2+]C)C(C1CC1)C(F)(F)F,0,GDB ChEMBL
378240,CC1CCC(O)C2(C#N)C(O)C=CC12,0,GDB ChEMBL
103413,COCC(CCO)OCC1NC1C,1,GDB ChEMBL
204340,CCCCCC[NH2+]Cc1cc(C)c(C)c(F)c1,0,GDB ChEMBL
196465,C#Cc1c(N)cc(C(C)C)cc1CN1CC1,1,GDB ChEMBL
284716,Cc1cc(C)c(C2(CC(C)C)CC2)c(F)c1,1,GDB ChEMBL
310994,COC(=O)NC1CC1(C)C(C)(O)C(=O)[O-],0,GDB ChEMBL
196522,CC1OC(=O)C1Nc1nn[n-]n1,0,GDB ChEMBL
157077,CNS(=O)(=O)C1CCOC1C,1,GDB ChEMBL
330383,C[NH+](C)CCC1(C)CC2CCCCC(CC2)C1,0,GDB ChEMBL
254266,C[NH2+]C(C)CNC1C(=O)C2COC1C2C#N,0,GDB ChEMBL
184865,CCC(C)C(C)(OC)C1(C[NH3+])CC1,0,GDB ChEMBL
28178,C[NH+]1CC(C)(CC[NH+]2CC=CCC2)C1,0,GDB ChEMBL
194711,CC1CC(C)(O)C(C(N)=[NH2+])C(O)C(C(C)O)[NH2+]1,0,GDB ChEMBL
312179,C[NH+]1C2COC(C2)C1CC(N)=O,0,GDB ChEMBL
84879,CS(=O)(=O)CC1C=CC[NH2+]CC1,0,GDB ChEMBL
300940,O=CN(C(=O)CCO)C1C=CNC1=O,0,GDB ChEMBL
319788,CC1CCC=C2CCC(C)(C1)C(C)C2,0,GDB ChEMBL
234379,CC(C)C(C(N)=[NH2+])C1CN1CC(N)=O,0,GDB ChEMBL
210222,C=CC(=O)NC=CNC(=O)N1CC1,0,GDB ChEMBL
375494,CC1CNS(=O)(=O)C2CCC(CC2O)[NH2+]C1,0,GDB ChEMBL
61818,CCC1CC(C(C)C)C2[NH2+]CCC12,0,GDB ChEMBL
330947,CNc1c(C(N)=[NH+]C)c(COC)nn1C,0,GDB ChEMBL
84552,CC1(C)CC2CCC1CC21CCCCCCC1,0,GDB ChEMBL
294483,C#CC1(C)COCCC(C)CC(CCC)C1,0,GDB ChEMBL
120503,CCC(CC(C)(C)CC)C1C(C)=CCC1C,0,GDB ChEMBL
195529,CC(O)CN1CC2(COC2)N=CNC1=[NH2+],0,GDB ChEMBL
188101,C[NH2+]C1CC(O)C(C=O)C1C,0,GDB ChEMBL
221093,C#CCc1cc(CCC)cc(CCC)c1F,1,GDB ChEMBL
242671,O=C1CC(=O)NC2CS(=O)(=O)NCC2N1,0,GDB ChEMBL
42278,CCC([NH3+])C1OC1C(C)(C)C,0,GDB ChEMBL
29719,CC1(CC2(C)CC3CC3C2)CCCCC1,1,GDB ChEMBL
28230,C[NH+](C)CC(O)CC1(N)C(=O)NCC1[NH3+],0,GDB ChEMBL
176507,CNC1C2CCCC2[NH2+]C1C(C)O,0,GDB ChEMBL
177111,COC(=O)c1nn(C)nc1NC(N)=O,1,GDB ChEMBL
230736,CC(NC1=NCC(C(C)[NH3+])NC(=O)N1)C(N)=O,0,GDB ChEMBL
279231,O=c1c2cc(O)c(F)cc2[nH][c-]1C(F)(F)F,0,GDB ChEMBL
33871,CN(C)C(CS(N)(=O)=O)C1CC(=O)CO1,0,GDB ChEMBL
196532,COc1cc[nH]c1OC(=[NH2+])NC(C)C[NH3+],0,GDB ChEMBL
253586,CCCCC1CCC1C(C)(C)CC(F)(F)F,0,GDB ChEMBL
255444,C1=CC2CCC(CCO2)[NH2+]C1,0,GDB ChEMBL
240005,CC1=CCCC2(CC1)C1CC(C)CC12,0,GDB ChEMBL
345420,CC1=CC(C[NH3+])(CO)C(CO)C1,0,GDB ChEMBL
270098,CCC1OCC(=O)NC1=O,1,GDB ChEMBL
195552,CCc1c(C2(C#N)CC2)ccc(I)c1C,1,GDB ChEMBL
26625,CCC1=CC(CCOC)N(CC)C(=[NH2+])C1C,0,GDB ChEMBL
234242,NC(=[NH2+])c1cc2ncsc2cn1,0,GDB ChEMBL
209494,C#CCC1CCCC(CC)(CC#C)C1,1,GDB ChEMBL
262299,CCc1cc(O)c2c(c1CO)COCCC2,1,GDB ChEMBL
391504,N=C1NCCOC(C=O)(CC(=O)[O-])CC(=O)N1,0,GDB ChEMBL
279969,O=C([O-])C1C(CO)[NH2+]C2(COC2)C1CO,0,GDB ChEMBL
22569,CCCCCC(C)C1CC2CC2(C)C1,1,GDB ChEMBL
66709,Cc1c(Br)ccc2c1CC1CC2C(C)C1=O,1,GDB ChEMBL
259589,CCC(C1CC1)C(CNC=O)C(C)(C)C,0,GDB ChEMBL
62008,CNC(=O)OCCCCC(=N)OC=O,1,GDB ChEMBL
189859,COCC(N)(C#N)C1OC(=O)CNC(=O)C1C,0,GDB ChEMBL
138383,CN1CC2COC(COS(=O)(=O)N2)C1=O,1,GDB ChEMBL
103877,C[NH+]=C(N)NC(=N)c1cn[nH]c1,0,GDB ChEMBL
117395,CC[NH2+]C(c1c[nH]nn1)c1ccccc1C,0,GDB ChEMBL
308014,CCC(C)NC1=[NH+]CC(C(N)=O)(C(C)C[NH3+])N1,0,GDB ChEMBL
28990,CCC1C([NH3+])C2CC(C)C(C)(C2)C12CCCO2,0,GDB ChEMBL
303917,C=CCC(CC)C1CCCC1=CC,0,GDB ChEMBL
88115,CC(C(=O)[O-])C(O)C(O)C12COCC1CCO2,0,GDB ChEMBL
142541,CC[NH+]1CC(C[NH3+])C(C)(OC)C2CC21,0,GDB ChEMBL
270090,[NH3+]C1CC(O)C2CC1OC2=O,0,GDB ChEMBL
275700,CN(C)c1cccc(OC=N)c1Cl,1,GDB ChEMBL
337826,CC(N)=[NH+]C1CCCCCC(=O)C1,0,GDB ChEMBL
66604,Cc1cnn2c(N)cc(F)cc12,1,GDB ChEMBL
238140,CC1(C)CC=CC[NH+]2C1CCCC2(C)C,0,GDB ChEMBL
277070,CCCC1C2CCC(C)C2C(C)(C)C1O,0,GDB ChEMBL
34320,CCc1ccc(CC(C)CC(C)C)c(C)c1C,1,GDB ChEMBL
278260,CCCC1(C(O)CC)C=C(C)CC1,1,GDB ChEMBL
378925,CCC1CC2([NH3+])C(C)CC(O)C2[NH2+]1,0,GDB ChEMBL
264034,CCNC(=NCC(=O)NC)S(=O)(=O)[O-],0,GDB ChEMBL
255468,CC1CS(=O)(=O)[N-]C(=O)NC1C=O,0,GDB ChEMBL
129851,CC1CCCCC2=CC1C1CC[NH2+]C21,0,GDB ChEMBL
182522,CN=C1C(C(=O)[O-])NC(=N)N1C(N)=O,0,GDB ChEMBL
76798,C#CC1C2c3cc(C)cc(F)c3C1C2C,0,GDB ChEMBL
339245,CN1C(=O)NCCC1CC(O)(C=NO)CO,0,GDB ChEMBL
187218,CC(=O)C(C)NC(=O)CCC(N)=O,1,GDB ChEMBL
75833,CNC(=O)C1OC(C(O)CO)C1N,0,GDB ChEMBL
8748,C#CC1(C#C)C(C)CCC(O)C(C)CC[NH+]1C,0,GDB ChEMBL
169459,CC(C)(C)C1C=CNC(=O)CCC1CCO,0,GDB ChEMBL
66738,NC1=NC(CS(N)(=O)=O)C(O)CCO1,0,GDB ChEMBL
366506,CCNC1C[NH2+]C2(C)CCCC=CC12,0,GDB ChEMBL
221340,CC1C(O)C(O)C(CO)C2CC12,0,GDB ChEMBL
358833,CNC(=O)OC1CC1n1cnnn1,1,GDB ChEMBL
79397,C1#CC2(CCCCCNc3c[nH]nc31)CO2,0,GDB ChEMBL
338255,Brc1c2c(cc3[nH]ncc13)NCC=CC2,1,GDB ChEMBL
383790,CC1(C)CC2=CCOC(=O)N3CCCCC231,0,GDB ChEMBL
66136,CN1CC1C(CCOS(N)(=O)=O)C(=O)[O-],0,GDB ChEMBL
393581,CCC[NH2+]Cc1cn(C2CCOC2)c(=[NH2+])[nH]1,0,GDB ChEMBL
246955,Cc1cc(C=O)c(=O)n(CC#N)c1,1,GDB ChEMBL
105105,CC1=CCC2CC([NH3+])C(C)C2(C)C1,0,GDB ChEMBL
360998,C[NH2+]Cc1cc(F)nc(C(C)C(C)C)c1,0,GDB ChEMBL
119924,CC1C(O)(C(=O)[O-])C1([NH3+])C(CO)OC(N)=O,0,GDB ChEMBL
65622,C#CC(C)C(C)(C#C)c1ccc(CCC)cc1,0,GDB ChEMBL
375569,CC(C)C1CC([NH3+])CC2C(C(N)=O)C12,0,GDB ChEMBL
383684,CC(CC[NH3+])C(C)C1CN=C(N(C)C)N1C=O,0,GDB ChEMBL
222533,CCC1=CC(OC)C(OCCO)C1[NH3+],0,GDB ChEMBL
102141,CN1CC(O)C2CC3[NH2+]C(C2)C31,0,GDB ChEMBL
288587,CC1(CO)C(NC(N)=O)CC(O)C2([NH3+])CC12,0,GDB ChEMBL
645,CCCC([NH3+])C1C2CCC(C)(C)[NH+](C2)C1C,0,GDB ChEMBL
263854,O=CN1CC2CC(=O)CCC([NH2+]CC1=O)C2O,0,GDB ChEMBL
288562,NC(=O)CC([NH3+])C1C2CN2C(=O)[N-]S1(=O)=O,0,GDB ChEMBL
348834,Cc1sc(OC(C)C(N)=O)nc(=N)c1C(N)=O,0,GDB ChEMBL
142944,CC(CC[NH3+])C1=NC(C(=O)[O-])CNC(=[NH2+])CO1,0,GDB ChEMBL
343995,[NH3+]C1(CCO)CC(O)C2CC1NC(=O)O2,0,GDB ChEMBL
159888,O=C1CCCC2CCCN=C2O1,1,GDB ChEMBL
214451,Cc1cccc(C(C)(C)CC=O)c1,1,GDB ChEMBL
370270,CCC1CC(C)(O)C(C)(CC[NH3+])CCC(C)O1,0,GDB ChEMBL
351311,CC(O)C(C(=O)[O-])C1C([NH3+])C1(O)C(=O)[O-],0,GDB ChEMBL
4756,C#CC(COC)CC1C=CCCC1,1,GDB ChEMBL
363540,CCC1(CC)CC2CC3CC[NH+](CC2C1)C3C,0,GDB ChEMBL
75444,CC1(O)C(O)C(=O)NC(C(N)=O)C(CO)C1O,0,GDB ChEMBL
346994,CCC1OC2C(C)C(C)[NH2+]C12C(=O)[O-],0,GDB ChEMBL
198857,CC1(CC[NH3+])COCC1C(O)c1cncnc1,0,GDB ChEMBL
394260,CC#Cc1cc(F)c2c(c1)CC1(C)CC21,1,GDB ChEMBL
307891,CCCC(C)C1([NH3+])CNC(C[NH+](C)CCC)C1,0,GDB ChEMBL
146035,CC1CCC23CC2C(C)(C)CC3[NH+](C)C1,0,GDB ChEMBL
360988,CC(=O)OC(CC(C)[NH3+])C1CC2CC1[NH+]=C2N,0,GDB ChEMBL
212606,CNc1ccc(OC)c(O)cnco1,0,GDB ChEMBL
300577,CCC1CCC(CO)C2C(C)N12,0,GDB ChEMBL
247613,CC1CC2(C(C)[NH2+]1)C1C[NH2+]CC12,0,GDB ChEMBL
63110,COC1COCC(O)C(CO)NC(=O)O1,1,GDB ChEMBL
201737,CCCC(C)(CC)C1C(CC)C1CC,0,GDB ChEMBL
48172,C#Cc1c(NCC)cc(F)c(CC)c1C,1,GDB ChEMBL
58969,C#CC(CC#N)CC1(C)CC(C)CC1[NH2+]CC,0,GDB ChEMBL
383281,C#CC1=CC(C)C(CC(C)C)CCC1,0,GDB ChEMBL
120679,CC1(C)C2CCC(c3ccccc3Br)C1C2,1,GDB ChEMBL
87528,C#CCC1CC2C[NH2+]C(C(C)C)CCC2C1C,0,GDB ChEMBL
397974,CCCCOCC(=[NH2+])N1CC(C)C(=O)C(O)C1,0,GDB ChEMBL
155168,CC1C2C[NH2+]C1C(CO)C2O,0,GDB ChEMBL
129580,C[NH2+]CCN1CCC(C)C([NH3+])(C(C)C(C)[NH3+])C1,0,GDB ChEMBL
216459,CCCCC(C)(CC(C)C)c1cc(CC)no1,1,GDB ChEMBL
208239,OC1C=CC#CCOCCC1,1,GDB ChEMBL
156118,C#CCNc1cc(C(C)(C#C)C#N)ccc1Cl,1,GDB ChEMBL
47774,COc1c(C)cc(C)c(F)c1OC(=N)C(C)O,0,GDB ChEMBL
257416,CC[NH2+]CCNC(CN)=[NH+]CC(N)=O,0,GDB ChEMBL
38611,C#CC1CC([NH3+])C(CO)NC1C[NH3+],0,GDB ChEMBL
161002,CN(CCC(=O)[O-])C(=O)NC1COC1,1,GDB ChEMBL
230419,CC(C)CC1CC2(C)CC3CC3CC2[NH2+]1,0,GDB ChEMBL
240001,C#CC1(O)CCCC(O)CC1OCC(O)CO,1,GDB ChEMBL
288627,Cc1cccnc1-c1c(C(C)(C)C)ncn1C,1,GDB ChEMBL
310813,CC1(C)CC([NH3+])CC2(C#N)CN1CCO2,0,GDB ChEMBL
243361,CNC(=O)C1[NH2+]CCC12NC2C[NH3+],0,GDB ChEMBL
280332,CCCC(C(C#N)CCO)N1CC1,1,GDB ChEMBL
195187,CC1CC2=CC=CC2C1[NH+]1CCC1,0,GDB ChEMBL
277869,CCC#CC1OCCC1C,1,GDB ChEMBL
141703,CC(OC(=O)NC1CC1O)C(O)CO,1,GDB ChEMBL
106619,CC1(C)C2Nc3c(F)ccc(F)c3C21,0,GDB ChEMBL
208602,C[NH+]1CCC(C)([NH3+])C2CC(N2)C1C(=O)[O-],0,GDB ChEMBL
288923,CCCC(C)(C(N)C[NH3+])C1CCC([NH3+])C1,0,GDB ChEMBL
136111,CCOC1c2cc(I)ccc2C([NH3+])C1OCC,0,GDB ChEMBL
382156,CCOCC1CC2(CC2)CC2C=CC1C2C,0,GDB ChEMBL
266472,CC1OCC2C1[NH2+]CC2(C)OCC(O)C(N)=O,0,GDB ChEMBL
77329,C=C1CC2(COC(CC)C2)CC1O,0,GDB ChEMBL
317562,CCOC1CC(C)[NH2+]CCC1C(C)O,0,GDB ChEMBL
180009,NC(=O)C1OC2(CO)C[NH2+]C1C2,0,GDB ChEMBL
283253,C[NH2+]CC1CC2OC2CCO1,0,GDB ChEMBL
15547,CC1CC2(O)CC(C)C(C2)C1O,0,GDB ChEMBL
130346,CC(=[NH2+])NC(C=O)CNS(C)(=O)=O,0,GDB ChEMBL
116398,COC(C)C(C)CCC1(C)C=C(C)C(C)C1,0,GDB ChEMBL
365822,[NH3+]C(CO)C1OC1(C(=O)[O-])C(=O)NC=O,0,GDB ChEMBL
45681,C#CCC(O)(CC)C(N)=O,1,GDB ChEMBL
325753,CNC(C#N)C1(OC)CNS(=O)(=O)C1CO,0,GDB ChEMBL
140383,C[NH2+]CC1NC(C#N)C2CC2C1O,0,GDB ChEMBL
112611,C#CCC(C)C1(C)C[NH2+]Cc2ccc(Br)cc21,0,GDB ChEMBL
261322,CCc1cc(Br)ncc1C(C)C1CC1(C)C,0,GDB ChEMBL
398999,C[NH+](C)CC1CC1C([NH3+])C1CO1,0,GDB ChEMBL
161929,CC1[NH2+]CCN=CN(CCO)C(=O)OC1C,0,GDB ChEMBL
58926,CCCC1C=C(CC(C)C)C=CC(C)C1,0,GDB ChEMBL
95628,Cc1cc(N)cc2nc(=O)c(N)cn12,0,GDB ChEMBL
330019,CC[NH2+]C1(CC)C(C=O)C1C(C)O,0,GDB ChEMBL
305318,CC(C)C1CCC2(CCC2)[NH2+]C1C,0,GDB ChEMBL
160010,CCCCCC(C)C1=CCC2CC1C2,0,GDB ChEMBL
62027,CCOC1C(C)CC2C1C2(C)C,1,GDB ChEMBL
66665,CCCCC1CC(C)C2C1=CCC2C,0,GDB ChEMBL
175535,CC(=O)CC12CC(C1)c1cccn1C2,1,GDB ChEMBL
243895,N=c1[nH]c(CC[NH3+])ncc1C(N)=O,0,GDB ChEMBL
336604,C1=CCC2CCCC(C1)C2CC1CC1,1,GDB ChEMBL
92282,CC([NH3+])CN=C(CO)Nc1ccsc1,0,GDB ChEMBL
353598,Cc1c(Cl)ccc2c1C1CC(O1)C2CCO,0,GDB ChEMBL
108127,CC#CCC1(CCC2CC2)CC1,1,GDB ChEMBL
379365,CCC(C)C1CCCCCC(C)(C)CC1CC,0,GDB ChEMBL
365785,CN(C(N)=O)C1(C)C(O)C1C([NH3+])C(N)=O,0,GDB ChEMBL
121958,CCCCCC1(CC)C(C)C1CC,0,GDB ChEMBL
195226,CN(Cc1cc(NC(=O)C[NH3+])no1)C(N)=O,1,GDB ChEMBL
142501,COC1C(C#N)C(O)C(O)C1(CO)OC(N)=O,0,GDB ChEMBL
190420,CC1CC2C[NH2+]C34CCC(OC1=O)C3C24O,0,GDB ChEMBL
253560,CC(=O)N1CC(O)C(CC#N)C1(C)C,0,GDB ChEMBL
277717,C[NH+](C)CC12CCCCCC1CC(O)C[NH2+]C2,0,GDB ChEMBL
249543,CNCC[NH2+]CCCC(C#CC(=O)[O-])=NO,0,GDB ChEMBL
186655,COC(C)C[NH2+]CC(N)(CO)C1C[NH2+]C1C,0,GDB ChEMBL
34986,C=C1CCCC(CC#CCCC)C1,1,GDB ChEMBL
19639,COC(=O)NCCC(=N)OC1CC(=NO)C1,1,GDB ChEMBL
5249,CCC1(OC)CCC1CCOC,1,GDB ChEMBL
307906,CCC1C(C)C1c1c(C)cccc1I,1,GDB ChEMBL
284719,CCNC(=[NH2+])CNC1COC(=O)NC(=O)C1,0,GDB ChEMBL
386580,CC(C#N)C1C2OCC1N(C)C(=O)C2C[NH3+],0,GDB ChEMBL
202021,CC(C#N)NC(C)C1CC=CC(O)C1,1,GDB ChEMBL
85642,CCC(=O)NC1CC2(O)C1=CC(O)C2C#N,0,GDB ChEMBL
204216,C#CC12c3cc(Cl)cc(Cl)c3CC1C2[NH3+],0,GDB ChEMBL
42270,C[NH+]=C(N)C(N)C[NH2+]CC(=O)[O-],0,GDB ChEMBL
279255,CC1C2NC(=O)CN1C1C([NH3+])CCC21,0,GDB ChEMBL
25990,CC1CC=CC(C(O)C(C)CO)[NH2+]1,0,GDB ChEMBL
68663,CCc1c(C)cc(C(C)(C)CC)c(I)c1I,1,GDB ChEMBL
87701,N#CC1(C(N)C(=O)OCC(=O)[O-])CNCCN1,0,GDB ChEMBL
148541,CN(CC1[NH2+]CC1(O)CC(=O)[O-])C(N)=[NH2+],0,GDB ChEMBL
300482,C#CC[NH2+]C1(CC)CCC1,1,GDB ChEMBL
234955,CNC1C(=O)OC(CCOC=O)C(O)C1C=O,0,GDB ChEMBL
152547,C#CCC(C)CC1(C)CC2CC(CC)C1C2,0,GDB ChEMBL
214034,CCC1(C)C2CCC(C)C(C2)C2(C)CCCC12,0,GDB ChEMBL
6042,CC#CC[NH+]1C2CCCC1CC(C)C2,0,GDB ChEMBL
190435,COC(C)C1C[NH+]2CCC1(C#N)OCC2C,0,GDB ChEMBL
304625,CN(C(=N)N)C(=O)C1(C=O)CC1,1,GDB ChEMBL
44618,CC(=O)OC1C(OCC(N)=O)C1(O)C=O,0,GDB ChEMBL
348652,CCC(O)CC(C)COC,1,GDB ChEMBL
124132,CC1N(C(=O)CO)CCCC1(C)[NH2+]C(C)(C)C,0,GDB ChEMBL
228777,CNC(=O)NCc1nc(N)n(C)n1,1,GDB ChEMBL
383770,CCNc1csc(NC(N)=[NH2+])n1,0,GDB ChEMBL
26309,CCOCC[NH2+]C1C2CC2C2C(C)C12,0,GDB ChEMBL
131864,CN1C2CC(C(=O)[O-])C(C[NH3+])C1C2O,0,GDB ChEMBL
331459,O=C([O-])C1CCCNC1=O,1,GDB ChEMBL
167336,C#CCCCCCC1=CC=CC=CC(C)C1,0,GDB ChEMBL
18384,O=CC1CC(O)CN(CC(=O)[O-])S1(=O)=O,0,GDB ChEMBL
175733,CCC1C2C(=O)CC(OC)(CC2C)C[NH+]1C,0,GDB ChEMBL
357647,CCc1nnn(CC(O)C[NH3+])n1,0,GDB ChEMBL
43971,C#CC1=CC=Cc2c(F)ccc(C)c2C1C,0,GDB ChEMBL
22509,C[NH2+]CCCC(=O)C12COC(C1)OC2,0,GDB ChEMBL
309814,OCC1CC[NH+]2CC(O)C(O)(C1)C2,0,GDB ChEMBL
234389,CNC(=O)CNC(=[NH2+])c1nccc(=O)[nH]1,0,GDB ChEMBL
263466,CNC1C([NH3+])CC1(C(=O)[O-])C(C)([NH3+])CC#N,0,GDB ChEMBL
115719,CC(C[NH2+]CCO)NC(C=O)C(C)CO,1,GDB ChEMBL
317768,CC1(C(=O)[O-])[NH2+]CC1(N)CO,0,GDB ChEMBL
278895,CNC(=O)C12CC(CO)C(O)(C(=O)[N-]1)C2C#N,0,GDB ChEMBL
151819,CCOC12CC(C(O)CC[NH3+])[NH+](C1)C2,0,GDB ChEMBL
85854,O=C([O-])CC(=O)OCC1CC1CS(=O)(=O)[O-],0,GDB ChEMBL
40285,CC(C)NC(=[NH2+])CCC1C[NH+]=CN1,0,GDB ChEMBL
308148,N#CC1C(CO)OCCCN=CN1C(=O)C[NH3+],0,GDB ChEMBL
208348,NC(=[NH2+])CC(N)COc1nc(N)cc(N)n1,0,GDB ChEMBL
159748,CC(C)C1(CC(F)(F)F)C[NH2+]C2CC2C1,0,GDB ChEMBL
333081,CCOC(=O)c1nsc2c1C(N)C(=O)N2,0,GDB ChEMBL
292695,C#Cc1cccc(CC)ccc(C)cc1C#C,0,GDB ChEMBL
136460,C[NH+]1CCC1COCC=O,1,GDB ChEMBL
195415,c1c[nH+]cc(=NCC2COC2)[nH]1,0,GDB ChEMBL
62117,CCC(CC)(CC)CCC1=CCCCC1C,1,GDB ChEMBL
232056,CC1CNC(=O)C2C1C2(CO)CS(=O)(=O)[O-],0,GDB ChEMBL
201481,CCC1CCC2CC(C1)C1CCCCC2C1,0,GDB ChEMBL
311649,O=C([O-])CC1CC(=O)C2COCC1N2,0,GDB ChEMBL
347947,C#CC1(C#C)CCC([NH3+])CCC(C)CC(C)O1,0,GDB ChEMBL
165227,CCOC1C2C[NH2+]C1C(C1CN1C(N)=[NH2+])C2,0,GDB ChEMBL
18822,CC(C)C(CO)C(O)C(=O)[O-],0,GDB ChEMBL
372647,CCCC12CC3CC1C(CO)C3O2,0,GDB ChEMBL
320274,CN(C)C1C(CO)C[NH2+]CC12CC(O)CO2,0,GDB ChEMBL
292520,CCC1CC(C)C(O)C(C)C1C1=NCCO1,0,GDB ChEMBL
24494,CC(C[NH3+])CC1(C)[NH2+]C(C)CC1C(C)C,0,GDB ChEMBL
75478,CCC(=O)n1c(CO)cc(Br)c(OC)c1=O,0,GDB ChEMBL
236022,C[NH2+]CCC(C)C1C(C)C1CO,0,GDB ChEMBL
361023,C#CCOCC1OCC2CN(C(N)=[NH2+])C1C2O,0,GDB ChEMBL
304644,C[NH+](C)C(CN)C1CCC1,1,GDB ChEMBL
390488,CNC(=O)C(O)C(=N)OCCC[NH3+],0,GDB ChEMBL
53657,CCC12C=CCC(C[NH2+]C)NC1C(=O)O2,0,GDB ChEMBL
227955,CCOC(=O)C1[C-]2C(=O)NC1S2(=O)=O,0,GDB ChEMBL
94696,NC(=[NH2+])C1NC(=O)CC(O)C2OC12,0,GDB ChEMBL
66703,C#CC1C(=O)OC(C)CC([NH3+])C(N)CC1[NH2+]C,0,GDB ChEMBL
352640,CC1[NH2+]C2C=CC(C2)C1O,0,GDB ChEMBL
311323,CC(=O)NC1(C)C2NC(=O)OC1(C[NH3+])C2O,0,GDB ChEMBL
101513,CC1([NH2+]CCC#N)CC(C#N)C2CC21,0,GDB ChEMBL
66149,C=CC1CC([NH3+])C[NH+]2CC3CC3C12,0,GDB ChEMBL
104441,Cc1c(Br)ccc(N)c1CCNS(C)(=O)=O,1,GDB ChEMBL
119952,COC(C(C[NH3+])NC(N)=O)S(N)(=O)=O,0,GDB ChEMBL
216164,CCOCC(N)=NCC(=O)C[NH+]=C(N)N,0,GDB ChEMBL
300679,COCCC1(O)CC(C)C2C(C1)C2(C)C,0,GDB ChEMBL
142516,COC1COC(CCCc2cnoc2)OC1,1,GDB ChEMBL
372517,CCc1cc(C=O)c(CCC#N)c(C(C)C)c1,1,GDB ChEMBL
300001,CCC(N)(CC[NH3+])C(=N)OC,0,GDB ChEMBL
289414,CCC1C(C(=O)NC(C)=O)C(C)[NH+]=C(N)N1C,0,GDB ChEMBL
387206,Cc1cc(CC2CNC(=O)O2)n[nH]1,1,GDB ChEMBL
131875,CCC1(C[NH3+])NC(=O)C(=O)N(C)C1=O,0,GDB ChEMBL
18354,CCN1C(=O)C(C(C)[NH3+])OC(C)(OC)C1CO,0,GDB ChEMBL
83039,CC1C(C[NH3+])C12C(O)COC2CC[NH3+],0,GDB ChEMBL
285573,CCC(C)[NH2+]C(C#CC(=O)[O-])C(=O)NC,0,GDB ChEMBL
194297,C#CCN(CC#N)C(=NCC)c1ncoc1C,1,GDB ChEMBL
346812,C#CCN(C=[NH2+])C(C#N)CC,0,GDB ChEMBL
302304,CNc1ccc2ncn(C(C)C(N)=[NH2+])c2c1Cl,0,GDB ChEMBL
9883,CCOC1C(C[NH3+])CC1[N-]C(=O)C#N,0,GDB ChEMBL
11214,CC(C[NH3+])NCC(C)C(C#N)[NH+]=C(N)N,0,GDB ChEMBL
34185,CCCN1CC=CC(C)([NH2+]CCC(C)=O)C1,0,GDB ChEMBL
358552,C=CC(O)CC1CC=CC(C)C1O,1,GDB ChEMBL
174885,CC#CCC[NH2+]C1CC(C)C1,1,GDB ChEMBL
35454,CN1C(C(O)C(=O)[O-])C1C(N)(C#N)C(N)=O,0,GDB ChEMBL
358277,CC[NH2+]Cc1cnc(O)nn1,0,GDB ChEMBL
387028,CCCC(CC)C1CC(C)C(C)C1(C)C,0,GDB ChEMBL
220172,CC(=O)OCC(NCC#N)C1COC(=N)CN1,0,GDB ChEMBL
391603,C=CN(C)C(=O)C(C)NC(=O)NC,1,GDB ChEMBL
331200,CC12CCCC(C=C1CC(N)=O)CCC2,0,GDB ChEMBL
25178,CCC(C#N)(CO)NCC#N,1,GDB ChEMBL
34993,O=S1(=O)CC2CCC(CC2)N1,1,GDB ChEMBL
383733,CNS(=O)(=O)C(N)=NCCC(N)=O,0,GDB ChEMBL
360981,CC([NH3+])C1=NC(CC[NH3+])CN1,0,GDB ChEMBL
271352,COCC1(CCC2CC2)C[NH2+]C1,0,GDB ChEMBL
293855,OC1CCCC[NH2+]C(C2=NCCO2)C1,0,GDB ChEMBL
294778,CC12CCCC3CC(C1)C(C3)O2,0,GDB ChEMBL
151169,C=C1CC(C(C)CC)CC(C)(O)C1,1,GDB ChEMBL
136513,CC1CC2C(CC[NH3+])N2CCO1,0,GDB ChEMBL
119652,CNC(=O)CNC(=O)c1cc(=O)sc(F)n1,0,GDB ChEMBL
99433,CC=CCC1CC=C(CC)CCC1,1,GDB ChEMBL
156156,CCN1CC(CCOC)([NH2+]C)C1,0,GDB ChEMBL
306392,Cc1cc(=O)cc(C(C)C)c(CC#N)n1,1,GDB ChEMBL
334569,CC1NC(=O)OC2CC2NC(=O)CC1[NH3+],0,GDB ChEMBL
186671,OCCc1c(Br)ccc2c1C1CCCN1C2,1,GDB ChEMBL
325700,CCc1c(F)ccc(CCC(C)CC)c1F,1,GDB ChEMBL
45691,CC(=O)C(CC1CC1)CC1CC1,1,GDB ChEMBL
85001,[NH3+]CCCc1ccc(I)c2[nH]ccc12,0,GDB ChEMBL
276082,C[NH2+]C(C)(C(=NO)C(C)C)C1CC1C(=O)[O-],0,GDB ChEMBL
176519,CC1C=CC(C)C(O)CC[NH2+]1,0,GDB ChEMBL
236021,CC1C2CC([NH2+]C2C=O)C1CO,0,GDB ChEMBL
263414,C[NH2+]C1CCn2c(N)c(COC)c(C)c2C1,0,GDB ChEMBL
349664,CCCCCC1(O)C(O)C(C)=CC1(C)CO,0,GDB ChEMBL
98550,CCCC1(CC(C)(C)O)OCC(OC)C1O,0,GDB ChEMBL
116095,CCC(CC(C)=O)(C(C)[NH2+]C)C1CC1C,0,GDB ChEMBL
17329,CC(O)CN(C)CC[NH2+]C1(C)CC1O,0,GDB ChEMBL
92335,CCOCC(N)C([NH3+])CC,0,GDB ChEMBL
114757,NC(=O)NC12COC(=O)CCC1C1CCC2C1,0,GDB ChEMBL
115863,COC(=O)C1C(N(C)C=[NH2+])C1(O)CC(N)=O,0,GDB ChEMBL
347966,COCC1(C(N)=O)CC2CCC(C#N)C1(O)C2,0,GDB ChEMBL
311303,C[NH2+]C1CCOC2(C1)C([NH3+])C2O,0,GDB ChEMBL
176493,Cc1ccc(S(=O)(=O)[O-])c(OC(=O)C#N)n1,0,GDB ChEMBL
78667,[NH3+]CC1CC2CC[NH2+]CC1(O)CC2,0,GDB ChEMBL
298029,CN1CC1CC1CCCCC1,1,GDB ChEMBL
132262,CC[NH+](Cc1c(C)cc(I)nc1C#N)C(C)C,0,GDB ChEMBL
361656,C#CC12CC(O)C(C#N)(C(=O)O1)C2C[NH3+],0,GDB ChEMBL
319786,COc1c(N)cc(C)ccc1=[NH2+],0,GDB ChEMBL
244467,CC1CCC2(C)CC=CC(C)C2NC1=O,0,GDB ChEMBL
330110,CCCCC([NH2+]CC)C12CC=CC1C2,0,GDB ChEMBL
356529,CCC1C[NH+]2CCCCC2(C)C1,0,GDB ChEMBL
225026,CS(=O)(=O)CCCc1nonc1C#CCO,1,GDB ChEMBL
336017,CC1COCCCNC(=[NH2+])C1,0,GDB ChEMBL
47813,CC1CC(C#CC(F)(F)F)CC(O)C1[NH3+],0,GDB ChEMBL
320271,CC=C(CCC1CCC1)C(O)C[NH3+],0,GDB ChEMBL
349953,CCOCc1[nH]nc(OC)c1C(C)O,1,GDB ChEMBL
398176,CCCCCc1cccccc(C)c[nH]1,0,GDB ChEMBL
59644,Cc1ccnc(CNCC[NH3+])c1C,1,GDB ChEMBL
79315,Cc1c(Cl)ccc(C(C)CC2CC2)c1Cl,1,GDB ChEMBL
349483,C#CC(O)C([NH3+])C1C[NH2+]C2CC(OC)C1(C)C2,0,GDB ChEMBL
263451,CCOCC1C([NH3+])C1(C)C[NH3+],0,GDB ChEMBL
208337,CC(C(N)=O)(C(=O)C(=N)N)C(O)CCO,0,GDB ChEMBL
384864,Nc1ccc2c(n1)N=C1OC(=O)C(O)C1N2,0,GDB ChEMBL
127141,C#Cc1c(C)cc(F)c2c1CC1(CCCC1)C2,1,GDB ChEMBL
224012,C[NH+]1CCC2CC(O)C(C1)C21CC[NH2+]1,0,GDB ChEMBL
345686,CC(C)C1C(CC(C)(C)C)COC1C,0,GDB ChEMBL
215706,C#CC1(O)CC(C[NH+](C)C)(C2CC2)C1,0,GDB ChEMBL
117377,COC(=O)[C-](C#N)C(=O)C(C)=O,0,GDB ChEMBL
186636,CCOC(CC)C12CC[NH2+]C1C(CC)NC2=O,0,GDB ChEMBL
317748,CCC1(CO)CC2CCC1C2C,1,GDB ChEMBL
191303,CCC12OC(=O)NC1C[NH2+]C2CC(C)O,0,GDB ChEMBL
294453,CC1C(NC(N)=[NH2+])C2C(CO)OC(=O)C12O,0,GDB ChEMBL
262593,[NH3+]C1CCC([NH3+])(Cc2cncnc2)C1O,0,GDB ChEMBL
284001,COC(C#CCN(C)C(C)=[NH2+])(C=O)CCO,0,GDB ChEMBL
21905,CCOC1C(=O)C(C)C1(O)C(=O)[O-],0,GDB ChEMBL
77850,C#CCN(C=O)C1CC(=CCC)C1,0,GDB ChEMBL
215716,CC(C)Cc1ncc2n1CC(C#N)C2,1,GDB ChEMBL
106655,CCOCC1(O)CCC(C([NH3+])C(C)O)C1,0,GDB ChEMBL
349615,C#CC(C)(O)C(C)([NH3+])CC(=O)[O-],1,GDB ChEMBL
132692,CCC1[NH+]2CCCC2C(C)(C#N)C(=O)C1(C)C,0,GDB ChEMBL
61869,CCC1CCCc2cccc(I)c2C1C,0,GDB ChEMBL
312819,CCC(C)(CC1CC1)C1=CCCCC1,0,GDB ChEMBL
392259,COc1nc(N)c(Br)c(=O)n1C,1,GDB ChEMBL
101485,O=C([O-])CC1=CCCC(=O)C=CCCC1,0,GDB ChEMBL
99468,CCCC([NH3+])CCC(N)=O,1,GDB ChEMBL
361610,CC1C2[NH2+]CC3COC2CC31C,0,GDB ChEMBL
61505,Cc1nnnn1C(=O)CCC[NH+]=C(N)N,1,GDB ChEMBL
291499,O=C1[N-]S(=O)(=O)C2C(N1)C2C(=O)[O-],0,GDB ChEMBL
293823,Fc1ccc2c(c1)CC#CCC1CC=C2C1,1,GDB ChEMBL
130882,CCC1OC(C)C2CCCC(C)C12,1,GDB ChEMBL
303875,CC(C[NH3+])C(CS(=O)(=O)[O-])N(C)C=O,0,GDB ChEMBL
382590,CC1C2C(N)C(=O)NC(=O)C12O,0,GDB ChEMBL
300677,CC(=O)OC(CO)C1(C=O)CC1C#N,0,GDB ChEMBL
239354,CN(C)c1ccc(CC23CCC(CC2)C3)cc1,1,GDB ChEMBL
98655,CCNc1ncc(C(C)C([NH3+])CC(O)C[NH3+])o1,0,GDB ChEMBL
111543,CNC(=[NH2+])C([NH+]=C(N)N)C1(N)CCN(C)C1=O,0,GDB ChEMBL
152060,C#Cc1ccc(CC(F)(F)F)c(CCCC)c1,1,GDB ChEMBL
25191,CCOc1ncc2c(c1Cl)CC(C#N)C2(C)C,0,GDB ChEMBL
347895,CCCNC(=[NH2+])C(CO)C(C)(C)NCC=O,0,GDB ChEMBL
70169,CCC(CO)([NH2+]C)C(=O)NCC(O)CC(=O)[O-],0,GDB ChEMBL
70790,C#CCC(C[NH3+])N(C)S(C)(=O)=O,0,GDB ChEMBL
275540,CC(C)C#Cc1ccc(F)nc1C1CC1,1,GDB ChEMBL
114746,Cn1nccc1NC1(C)CC1,1,GDB ChEMBL
24013,CCC(C)CC1OC(=O)NC(=N)C(O)C1O,1,GDB ChEMBL
169443,CC(C)N(C)c1cc(C(N)=O)oc(=O)c1,1,GDB ChEMBL
16481,CC1CNC(=[NH2+])OCC(C(C)C)O1,0,GDB ChEMBL
290293,CCCCC=CC(=O)C1COC1C,1,GDB ChEMBL
68662,CCCC1[NH+](CCN)CCC1(C)C(C)(C)CC,0,GDB ChEMBL
132843,CC([NH+]=C(N)N)C(O)C(N)C#N,0,GDB ChEMBL
235558,COC(C)C(=O)NC(C)=NC(CO)CC(C)[NH3+],0,GDB ChEMBL
380271,CCN1CC([NH2+]C)C(C)(C)C1,0,GDB ChEMBL
338395,CC=CC(=O)NC1C([NH3+])CC1C[NH3+],0,GDB ChEMBL
87123,CCCC=C1C=CCCC12CCC2,1,GDB ChEMBL
1921,CC(CO)N1C(C#N)C1C(O)CO,0,GDB ChEMBL
120010,CC1CCCCC2(O)CCC=CC12,1,GDB ChEMBL
348696,CC1C2CC3CC(C[NH+]31)O2,0,GDB ChEMBL
344383,CCC1CC2CC2c2cc(C)cc(Br)c21,1,GDB ChEMBL
72020,CCC(CO)OCC(C)(C)CC[NH+]=C(C)N,0,GDB ChEMBL
335484,CCC(C)C1C2NC(C)C[NH2+]C21,0,GDB ChEMBL
382543,C#CC(C)C(c1cc(CC)ccc1C)C(C)C,0,GDB ChEMBL
190018,CC1C2CC([NH3+])C(CC[NH2+]2)C1C,0,GDB ChEMBL
296089,CCC(C)C(C=O)[NH2+]C1CC(O)C1,0,GDB ChEMBL
393567,CC1(O)CC2NC2C1CC[NH3+],0,GDB ChEMBL
305211,Nc1cc2c(cn1)CC(=O)OCC2N1CC1,1,GDB ChEMBL
296334,CC1CC(CC[NH3+])[NH+](CC2CC2)C1C,0,GDB ChEMBL
133027,N#Cc1cn(C(C#N)CCOCC[NH3+])c(N)n1,0,GDB ChEMBL
330542,N=C(NC=O)OCC(CC(N)=[NH2+])C(N)=O,0,GDB ChEMBL
330084,CC([NH3+])C(=O)NC(C(O)CO)C(C)C(N)C[NH3+],0,GDB ChEMBL
11675,CC(C#N)NC(=O)c1ncn[n-]1,0,GDB ChEMBL
103886,Cc1cccc2c1CCC1C3=CCCC3C21,0,GDB ChEMBL
20735,CCCCCCC1CCC2CC2(C)C1,1,GDB ChEMBL
5893,CC1CC2(O)C(C)C2CCNC(=O)C1=O,0,GDB ChEMBL
81065,C#CCCC1(C(C)C)CC1CCCC,0,GDB ChEMBL
161382,CCOC(=O)C(C)(O)C(=O)C#N,1,GDB ChEMBL
312562,C#CC1C2CC(C)C(CCCC)C1C=C2C,0,GDB ChEMBL
366720,CC#CC1C(C)OCC(C)C1CCC,0,GDB ChEMBL
4899,C=C(C)C(=CCCC(C)(C)O)CO,0,GDB ChEMBL
13188,CCCCC(C)C12CC(CC)CC1(C)C2,0,GDB ChEMBL
299969,CN1C(=O)NC2CC3C(O)(CNS3(=O)=O)C21,0,GDB ChEMBL
164688,CC1C2CCCC([NH3+])C1[NH2+]C2,0,GDB ChEMBL
122005,CC1(C)C2C3C[NH2+]CC21C(=O)N3,0,GDB ChEMBL
23957,CCC1(C)[NH2+]CC(CO)C1C#N,0,GDB ChEMBL
341138,CN1CC2(COC(=O)C(O)(C(N)=O)CN2)C1,0,GDB ChEMBL
182294,CC1(O)C([NH3+])C1(OCC(O)CO)C(=O)[O-],1,GDB ChEMBL
248234,CC(=O)CN(C(C)=O)c1ccccc1C(C)O,1,GDB ChEMBL
25147,Cn1cc([NH+]=C(N)N)nc1N,0,GDB ChEMBL
121728,C[NH+]=C(N)NCCC(=O)CC=O,0,GDB ChEMBL
391328,CC1CNC2=CC(=O)CC(CCCO1)C2,0,GDB ChEMBL
394936,CNC(C)(C)C(C#N)NC(=O)CC[NH3+],1,GDB ChEMBL
303891,C#CC(CC(=O)CO)[NH2+]C,0,GDB ChEMBL
330924,[NH3+]CCC1OC(=O)NC1C[NH3+],0,GDB ChEMBL
376037,CNC(=O)N1CC(O)(C(N)=[NH2+])COC1=O,0,GDB ChEMBL
328820,C[NH2+]C1C(N)C1(O)C(C#N)OCC(N)=O,0,GDB ChEMBL
248212,CNc1cc(O)nc(N)c1C1C[NH2+]C(C)C1O,0,GDB ChEMBL
379141,CC(=O)c1nc(C(N)=O)c[nH]c1=N,1,GDB ChEMBL
130184,CCOC1(C)COCC1(C#N)C(=O)OC,1,GDB ChEMBL
372098,C#CC(=O)C(=O)OC1CCOC1C(CO)OC,0,GDB ChEMBL
369901,COC1CC(C)([NH+](C)C)C2CC[NH2+]C12,0,GDB ChEMBL
334665,CCCC(O)C(=N)N1C(=O)C([NH3+])CC1C,0,GDB ChEMBL
210718,CC1OC2CC(O)C(O2)C1NC(N)=[NH2+],0,GDB ChEMBL
59638,C#CC1=CN(CC)C(=O)CCCC1,0,GDB ChEMBL
111869,CCC(CCC1CCC1)OC,1,GDB ChEMBL
195312,C[NH2+]C(C)(C)c1n[nH]c(=O)cc1CNC(N)=[NH2+],0,GDB ChEMBL
247180,C#CCNC(=N)C(N)(CO)C(N)=O,1,GDB ChEMBL
325240,CC1CCCCC(C)C(C)c2cc1c(F)cn2,0,GDB ChEMBL
184928,CC#CCCC(C)(C)CC(C)CC,1,GDB ChEMBL
196768,CC1C(O)C23CC(CC[NH+]1C2)C[NH2+]3,0,GDB ChEMBL
303298,O=C1CC2CC(CO1)C1OC21,1,GDB ChEMBL
44105,COC1C(O)C1NC(CC=O)C(=O)[O-],0,GDB ChEMBL
16509,C#CCC(=O)C1(OCC)CC[NH+](C)C(C)C1C,0,GDB ChEMBL
151801,NC(N)=[NH+]C(CO)C1CS(=O)(=O)C1,0,GDB ChEMBL
38570,CCC1CC2CC1CCC([NH+]1CC1)C2,0,GDB ChEMBL
130423,C[NH+]=C(N)CCCOCCOS(N)(=O)=O,0,GDB ChEMBL
338337,C[NH2+]C(C)C#CC#CCC1CCCC1,0,GDB ChEMBL
96036,[NH3+]CC=C1C=CC2CC1CCCO2,0,GDB ChEMBL
51038,CNC(=O)CN1CC(O)C(CO)OS1(=O)=O,0,GDB ChEMBL
40930,CC(C)(C)[NH2+]CCCn1ccc(C(F)(F)F)c1,1,GDB ChEMBL
125647,CC(=O)N(C=O)C1(CNC=O)CC1,1,GDB ChEMBL
347874,C#CC1C(C)c2cc(I)cc(CC)c2C1CC,0,GDB ChEMBL
133140,NC(=[NH2+])N1CC(O)(CC[NH3+])C1,0,GDB ChEMBL
228474,O=CCNC(=O)C1(C(=O)[O-])OC1CO,0,GDB ChEMBL
276183,CC([NH3+])CCC1(C(N)=O)OC(=[NH2+])NCC1O,0,GDB ChEMBL
197090,CC1C[NH2+]CCN(CS(N)(=O)=O)CCO1,0,GDB ChEMBL
342368,CNC(=O)C(C(N)=[NH2+])C1OCC([NH2+]C)CC1O,0,GDB ChEMBL
177087,CCN1C2CC2C2OC(=O)C21,0,GDB ChEMBL
230382,CC#CCN(C)CC#CC1CC(C)C1,1,GDB ChEMBL
191271,CCOc1noc2c1CCC(=O)N2,1,GDB ChEMBL
375523,CC(C#N)C(O)(C(N)=[NH2+])C(=O)CCCO,0,GDB ChEMBL
23614,O=CN(CCC[NH2+]CCO)C1COC1,1,GDB ChEMBL
16056,CCC1CCN1Cc1ncccn1,1,GDB ChEMBL
151049,CCC1C[NH2+]C(COC)CC(OC=O)COC1,0,GDB ChEMBL
398952,CC1C2OC2C2=CC(C[NH+](C)C)CC21C,0,GDB ChEMBL
31287,CC1CCCCC#CCCC2CC12,1,GDB ChEMBL
129604,CCCn1cnc(C(=O)[O-])c1,0,GDB ChEMBL
217674,C#CCC1[NH2+]C2C(CC)COC2C1O,0,GDB ChEMBL
382537,CC1CC=CC(CCCc2ccno2)O1,1,GDB ChEMBL
41037,COCC12CC(C)(NC(=O)N1)C2(O)CC[NH3+],0,GDB ChEMBL
227755,NC(=O)CC1C2COC(C2=O)C(O)C1CO,0,GDB ChEMBL
233927,CCOC12C(=O)[N-]S(=O)(=O)C1C2O,0,GDB ChEMBL
230249,CCC#Cc1cc(F)cc(F)c1C(C)(C)C,1,GDB ChEMBL
359046,CC1(C)CC(CO)=CC2OC2C1,1,GDB ChEMBL
367664,CCCCC([NH3+])COCCO,0,GDB ChEMBL
330125,CCC1=CC2CCCC2(CO)C1,0,GDB ChEMBL
173934,CC[NH+](C)CC1(C)CC(=O)C=CC12COC2,0,GDB ChEMBL
333684,CCCC1CC=C(C)C1OC,1,GDB ChEMBL
209728,N=C(NC(=O)C[NH3+])NC1C(O)C1O,0,GDB ChEMBL
95923,CCCCCC1(C)C2CC(C)C1[NH+]2CC,0,GDB ChEMBL
202825,CC12C(=O)NCC(C1O)[NH+]1CCC12,0,GDB ChEMBL
215361,CC(O)CCC1CC1C(C)[NH3+],0,GDB ChEMBL
374878,CCC1CNC2CC[NH+]1C2,0,GDB ChEMBL
105110,O=C([O-])CCC12CCOCC1C2,0,GDB ChEMBL
67378,COCCCC1OC2(C)C(=O)CC(C)C12,0,GDB ChEMBL
24536,CCC1C[NH2+]C(C)C=C1C(C)C,0,GDB ChEMBL
31062,N=C1NC(=O)NCCOC1C(O)C[NH3+],0,GDB ChEMBL
127226,CC1CCC(C)C2CC(C1)C(C)[NH2+]2,0,GDB ChEMBL
263289,CCC1(C)CC(C=O)NC(=O)N1,0,GDB ChEMBL
345391,COCC1(C)C(CO)C1(C=NO)NC(N)=[NH2+],0,GDB ChEMBL
124839,CNC(C#N)C1(C(=O)[O-])OC1S(=O)(=O)NC,0,GDB ChEMBL
36178,O=C1OCC2NCC1C2=O,1,GDB ChEMBL
314173,Nc1csnc1CNC(=O)CO,1,GDB ChEMBL
204480,O=CC[NH+](CC1CC(O)C1)C1CC1,0,GDB ChEMBL
302263,CCC([NH3+])C(N)C(O)C1=NCCO1,0,GDB ChEMBL
305847,CC1c2cc(I)ccc2CCC1C1CCOC1,0,GDB ChEMBL
360995,CS(=O)(=O)C1C2NC2C(O)C1C(N)=O,0,GDB ChEMBL
366889,COCC1=CCC(C)[NH2+]C1C=O,0,GDB ChEMBL
315237,CCOCC(C)(C)N(CC(C)=O)C(C)=[NH2+],0,GDB ChEMBL
286147,CN1C(=N)C(O)C(O)C(NC(N)=[NH2+])C1=O,0,GDB ChEMBL
126374,C[NH2+]CC1[NH2+]C2CC1(C)CC2C,0,GDB ChEMBL
311026,N#CC(C(N)C(N)=[NH2+])N1CCCC1,0,GDB ChEMBL
167276,NC(=[NH2+])C1Cc2nocc2CN1,0,GDB ChEMBL
304040,COCC(O)CC(=O)[C-](C(N)=O)C(N)=O,0,GDB ChEMBL
255324,C#CC1([NH3+])CC2(CCC(CO)CC2)C1,0,GDB ChEMBL
325260,CCCC(c1cc(C)c(C)c(C)c1)C(F)(F)F,1,GDB ChEMBL
143529,NC(N)=[NH+]CC1C(O)C[NH2+]C1CO,0,GDB ChEMBL
57269,CCNC1C(C#N)NC2CCC1(O)C2C[NH2+]C,0,GDB ChEMBL
35724,CC1CCC(C(=O)[O-])(C(C)C=O)[NH2+]C1,0,GDB ChEMBL
275679,c1cc(C2=[NH+]CCN2)c[nH]1,0,GDB ChEMBL
20715,CCC(C)(C(C)O)C1NC(=O)OC1CO,0,GDB ChEMBL
118888,CCC1CC2CCC(C)C(CC1O)C2C(C)C,0,GDB ChEMBL
310311,CC1C(OC(N)=O)CN1S(C)(=O)=O,1,GDB ChEMBL
363139,CCc1cnccnc(N)ncn1,0,GDB ChEMBL
383756,C#Cc1cnc2cccc(N)cc(O)[nH]c2c1,0,GDB ChEMBL
367780,CC1CCC2CC=CC12C(=O)[O-],0,GDB ChEMBL
33155,O=CC1=CCCC=C(CCCC(=O)[O-])C1=O,0,GDB ChEMBL
350648,CCCC(C)C1C=CC(C)CC(C)C1,0,GDB ChEMBL
274617,CCCC1(CC(=O)C(CC)C(C)C)CCC1,1,GDB ChEMBL
114403,CNC(=O)NC1(C)C(O)CC2(CO2)C1CO,0,GDB ChEMBL
217141,NC(=O)C1N=C(CNC=O)OC1C(=O)[O-],0,GDB ChEMBL
170305,CC1CCC(C)(C)CC(C(C)C)[NH+](CC=O)C1,0,GDB ChEMBL
71690,CCC(NC)=[NH+]C(C)COC,0,GDB ChEMBL
338829,Cc1cc(N)nc(C(=O)NCS(N)(=O)=O)n1,1,GDB ChEMBL
132712,CCCC(C)OC1CCCC(=[NH2+])NC1,0,GDB ChEMBL
215390,Cc1c(F)cc(CC(C)(C)[NH3+])c(C)c1C,0,GDB ChEMBL
336013,CC(C)C1C(O)C1[NH2+]CC1CC1,0,GDB ChEMBL
130599,COCC(O)(CO)C1CC(C)CC([NH3+])C1O,0,GDB ChEMBL
337996,CCCCC1CC(C)C=CC2C1C2(C)C,0,GDB ChEMBL
17074,NC(=O)OCC12NC(=O)NC1(CO)C2[NH3+],0,GDB ChEMBL
133031,CCCC1CC(C)(C)C2CC1C(C)C2C,0,GDB ChEMBL
76793,C#CCC1=NC(C(N)=O)C(CO)O1,0,GDB ChEMBL
189834,CNc1cc(NCC2CC2)nc(F)c1O,1,GDB ChEMBL
398217,CC(=O)C1CCOCCN2CC(C[NH2+]C1)C2,0,GDB ChEMBL
367623,CCCc1cc(Cl)c(CC)cc1CC(F)(F)F,1,GDB ChEMBL
152610,NC(=O)C1NC12CCOC2=O,0,GDB ChEMBL
195382,CC1=CC=CCCCC=C1CC(=O)[O-],0,GDB ChEMBL
379193,CN1CCC(C[NH3+])N(C(CN)CNC=O)C1=[NH2+],0,GDB ChEMBL
255427,NC(=O)N(C(N)=O)C1CC1,1,GDB ChEMBL
140315,C=C1C(O)C(C)C([NH+](C)C)C1CC,0,GDB ChEMBL
310156,Cc1cnc(NCc2nc(N)cc(O)n2)o1,1,GDB ChEMBL
211125,N#CC12CCC(O)C1(CS(=O)(=O)[O-])C2C(=O)[O-],0,GDB ChEMBL
98575,COC(C(=O)[O-])(C(=O)[O-])C(O)C#N,0,GDB ChEMBL
99415,CCC(C(=O)[O-])C1(C=O)CNCC(=O)O1,0,GDB ChEMBL
208388,Cc1ccc(F)nc1OC(C)C,1,GDB ChEMBL
141791,CCC1[NH2+]C2(C)CCCC3=CCC1(C)C32,0,GDB ChEMBL
302479,NC1=[NH+]CC=CC2CCCN12,0,GDB ChEMBL
188472,NC(=O)OCCNC=O,1,GDB ChEMBL
286852,CC12CC1C(CNS(C)(=O)=O)N(CC[NH3+])C2,0,GDB ChEMBL
140304,CCCC([NH3+])C1CN(C(C)C)C=[NH+]1,0,GDB ChEMBL
62043,CC1C(C([NH3+])CCC(F)(F)F)OCC1(C)C#N,0,GDB ChEMBL
70066,C[NH+](C)Cc1ccc2c(F)cccc2c1C[NH3+],0,GDB ChEMBL
119908,CC12CC1C(c1ccccn1)C1CC12,0,GDB ChEMBL
17042,N#CC1CN(C=O)C(=N)N1CC[NH3+],0,GDB ChEMBL
5304,CNC(=O)C1CC([NH3+])C2(C)C(O)C12N,0,GDB ChEMBL
254258,C[NH+](C)C1CC(C2CCC(O)C2=O)C1,0,GDB ChEMBL
122826,CN1C2C(CC(=O)[O-])CC(O)CS(=O)(=O)C21,0,GDB ChEMBL
113556,CCC(C#N)C1(CC(C)C[NH3+])CO1,0,GDB ChEMBL
211005,CCC1C(C)C=CC(C2CC2)C12CC2,1,GDB ChEMBL
259521,C#CC([NH2+]CCCC)C1CC(CCC)CC1C,0,GDB ChEMBL
320303,CCC1C(C)CCC(C(C)C)CC1(CC)C[NH3+],0,GDB ChEMBL
333669,CNS(=O)(=O)CC1(O)C(=O)NCC1[NH3+],0,GDB ChEMBL
395109,N=CN(CCO)C(=O)C(N)C(N)=O,1,GDB ChEMBL
257479,CCC1CCCC2(COC)C=CC(C)[NH+]12,0,GDB ChEMBL
249462,CCOC1(C(C)C)CC1,1,GDB ChEMBL
50078,CCOC(CCCO)C1(O)CC1,1,GDB ChEMBL
26395,CCCC(C)[NH+]=C(CCCS(C)(=O)=O)N(C)C,0,GDB ChEMBL
340090,CCC#CC1(O)CCCOC1,1,GDB ChEMBL
121464,CCC1(C2=CCCC2)C[NH2+]C(C)C1,0,GDB ChEMBL
356527,[NH3+]C1C=CC2C(CC1)CC1C[NH2+]CCC[NH+]12,0,GDB ChEMBL
353537,CC1CC(C)C2OC(=O)OC12,1,GDB ChEMBL
294763,CC#CCCC1CC(C)CCO1,1,GDB ChEMBL
294797,CC=C1C2CC3C1CC2C3(C)CC,1,GDB ChEMBL
215861,C=Cc1nnsc1C(=O)NC(=N)N,1,GDB ChEMBL
247491,COCC1COCCOC1,1,GDB ChEMBL
26391,NC(=[NH2+])NC1C[NH2+]CC1C(=O)[O-],0,GDB ChEMBL
332448,Cc1c2c(cc(C)c(=[NH2+])c1C(C)[NH3+])CCCC2,0,GDB ChEMBL
175560,CNCC(N)(C#N)C(O)C(C)OC,1,GDB ChEMBL
85053,CC1OC(=N)C2NC(=O)C[NH+]=C(N)CC12,0,GDB ChEMBL
367615,C=CN1C=CCCC(CC)NC1=O,0,GDB ChEMBL
356823,COCCC1C2[NH2+]C(C)C(O)C12,0,GDB ChEMBL
270093,CNC(=O)C1[NH2+]C2C(C1O)C2N1CC1,0,GDB ChEMBL
115015,C#CCC([NH2+]CC(C)C(N)=O)C(C)CCC[NH3+],0,GDB ChEMBL
33859,C#CC1(C(N)=[NH2+])CC([NH3+])C(=O)N(CC)C1,0,GDB ChEMBL
275485,C#Cc1c(C)cc(C)c(C#C)c1CCC(C)C,1,GDB ChEMBL
350265,C#CC1(C(=O)NC)CCO1,1,GDB ChEMBL
315294,CCC([NH3+])CC1C(C(=O)[O-])N1C,0,GDB ChEMBL
97745,CCC(C)CCCCCC(C)(C)c1ncco1,1,GDB ChEMBL
359182,NC(=[NH2+])C1CC2OC1CC(O)C2[NH3+],0,GDB ChEMBL
338258,CCCCc1c(CC)nc(F)c2c[nH]nc12,1,GDB ChEMBL
47698,COC1CCCC(CO)C2CC2(CO)C1O,0,GDB ChEMBL
305842,CC1=CCC2C([NH3+])CNCC12OC(C)C,0,GDB ChEMBL
200952,CC([NH3+])CC[NH+](C)C1CC1C[NH3+],0,GDB ChEMBL
341365,[NH3+]CC1CCC(C#CCO)C1,0,GDB ChEMBL
148545,CCC(C#N)(NC(=O)CO)C1C[NH2+]CC(C)N1,0,GDB ChEMBL
50063,CC(C)c1[nH]nc(N)c1CC[NH3+],0,GDB ChEMBL
235679,NC(=O)C1OC2CCC[NH2+]C3C2C13,0,GDB ChEMBL
319785,CN1C(=O)CN=C1COC1CC(=O)OC1CO,0,GDB ChEMBL
256009,Cc1cc2c3c(c1)C(C)C1C(C=CCC2)C31,0,GDB ChEMBL
2099,CCCCC12C(C)CCCCC(C1O)[NH+]2C,0,GDB ChEMBL
29656,C#CC1C(C)CCC(O)C1O,0,GDB ChEMBL
383805,C[NH2+]CC1C=CC2(CO2)C1,0,GDB ChEMBL
314174,CCC1C(C)=CC(C[NH3+])C=CC1[NH2+]C,0,GDB ChEMBL
238541,CC(C=O)C1(Oc2cc(O)nc(N)n2)CC1,1,GDB ChEMBL
84506,[NH3+]C1(CCO)CCCCC1,1,GDB ChEMBL
69572,COC1OC2(C)C(=O)OC1C2O,0,GDB ChEMBL
177264,CC#CC1(C)C(C(=O)[O-])CC(CC#N)C1[NH3+],0,GDB ChEMBL
74304,CCC(C)OC(=O)NCCCOC(C)=O,1,GDB ChEMBL
312216,CNC(=O)CC1CC1C([NH3+])CC(C)(O)C#N,0,GDB ChEMBL
150503,OCC[NH2+]CCC1CC1O,0,GDB ChEMBL
22554,CC1=CC(=O)CC2C=CCCC1C2C(C)O,0,GDB ChEMBL
26826,CC1=C(C(=O)[O-])C(C)CC1,0,GDB ChEMBL
394374,CC(=CCNCC[NH3+])C[NH2+]CCO,0,GDB ChEMBL
23440,C#CC1(C)Cc2ccc(C)cc2N1CC,0,GDB ChEMBL
301208,CC1([NH3+])COCCC2(C)CC(C(N)=O)CC12,0,GDB ChEMBL
222915,CN1CCn2nncc2C1CCO,1,GDB ChEMBL
252318,CC12CC(CCCO)C(C=O)N1C2,0,GDB ChEMBL
32011,CCCOC1C=CCCCC(CC)C1(C)C,0,GDB ChEMBL
301200,CC[NH+](C)CC12OC1C(N)C(C(N)=[NH2+])C2O,0,GDB ChEMBL
148000,C=C1C(=O)NC(=O)OC1(C[NH3+])C[NH3+],0,GDB ChEMBL
60627,CC(=O)N1CCCC2=CCC3CC3C21,0,GDB ChEMBL
304609,Cn1cnc(CO)c1CCO,1,GDB ChEMBL
358623,CCC1C=C(CO)C(C)CC1C,1,GDB ChEMBL
148774,CCC(O)C1(O)C(=O)OCC(O)C1C(N)=[NH2+],0,GDB ChEMBL
317175,CC12CCC(CC1)C1CC1N1CCC2C1=O,0,GDB ChEMBL
391788,CC(=O)NC1=CC(CO)[NH2+]C1,0,GDB ChEMBL
246969,CC1CCC2C1C(O)C(C#N)(CCO)C2C[NH3+],0,GDB ChEMBL
283995,CCc1cn2c(n1)C(=O)CC1(CCC1)C2,1,GDB ChEMBL
226262,CC(C)(O)C1CC(C2(C)CCC[NH2+]2)C1=O,0,GDB ChEMBL
340498,C#Cc1cc(C)cc(NC(C)(C)C)n1,1,GDB ChEMBL
80510,CC1C2CC([NH3+])C(N)C1(O)C[NH2+]C2C(=O)[O-],0,GDB ChEMBL
372778,NC(=O)CCOc1ccon1,1,GDB ChEMBL
375183,CN(C)c1ncc(C[NH3+])nc1Cl,0,GDB ChEMBL
292248,CCC1CC(C#CCCC[NH3+])=CC1C,0,GDB ChEMBL
62063,COC1(CO)C(C)C1C,1,GDB ChEMBL
112415,C[NH2+]C1CCC2(C)CC=CC12,0,GDB ChEMBL
382475,CC(C=O)C1CC(C)C(C)n2cccc2C[NH2+]1,0,GDB ChEMBL
130245,NC(=O)C(C[NH3+])Nc1nc(C(=O)NC=O)cs1,1,GDB ChEMBL
33201,Cc1[nH]nc2c1CC(C)(NCC(F)(F)F)C2,0,GDB ChEMBL
18338,COCC(=O)Cc1ncc[nH]1,1,GDB ChEMBL
339107,CC(N)C(=O)OCC([NH3+])(CO)C(=O)[O-],1,GDB ChEMBL
322827,CNC(=[NH2+])N1C(CS(N)(=O)=O)=NCC1C,0,GDB ChEMBL
142403,CC(NC(=O)C[NH3+])C1OC(=O)NC1C(N)=O,0,GDB ChEMBL
247324,CNC(=O)C1(C)CN=C(N)O1,1,GDB ChEMBL
361136,CCCCCC1CC(C(C)C)C2C(C)C12C,0,GDB ChEMBL
101044,C[NH2+]C1CCC(C)(O)CC(C)C(O)C=C1C,0,GDB ChEMBL
355354,Cc1cc(N)c(C)c(O)n1,1,GDB ChEMBL
275648,C[NH+]=CN(C)Cc1cc(Cl)cc2ncsc12,0,GDB ChEMBL
230699,COC1C(CO)CC2C(CO)C21,1,GDB ChEMBL
202499,COC1C=C(C(N)=O)C(C(O)C[NH3+])C1,0,GDB ChEMBL
276283,COC(=O)CC(=CNC=O)C(N)=O,0,GDB ChEMBL
374883,CC(=O)Oc1c(C)nc(F)nc1CO,0,GDB ChEMBL
353963,NCC(=O)NC(=O)COS(N)(=O)=O,1,GDB ChEMBL
92886,Clc1c2ccc(c1Cl)C1CC1CCCCC2,1,GDB ChEMBL
77523,COC(=O)NC(C)C(=O)NC=N,1,GDB ChEMBL
368460,CC1C2OCOC(C(=O)N1C(N)=O)C2CO,0,GDB ChEMBL
374387,COCc1c([O-])nc(C)nc(=N)c1OCCO,0,GDB ChEMBL
247177,CC1=CCC([NH3+])(COC(C)C)C1,0,GDB ChEMBL
48756,CCCOC=NCc1cnc(C)nn1,0,GDB ChEMBL
114811,CCC1CC2C=C(C)C1CC[NH+]2CC,0,GDB ChEMBL
161085,NC1C[NH2+]C1CCOc1cnccn1,0,GDB ChEMBL
310141,CCN(C)C(C=O)C[NH2+]C(C)C1OC1CO,0,GDB ChEMBL
130632,C#CCC(N)C1([NH2+]C)CCCN(CC)C1,0,GDB ChEMBL
65938,OCC1OCC2[NH2+]CCC3C2C13,0,GDB ChEMBL
290158,CC1(N2CC(C=O)CC2=O)COC1,1,GDB ChEMBL
283414,CCCC[NH2+]C1(C)CCC2(C)CCC21,0,GDB ChEMBL
284855,CCCC[NH2+]CC1(CO)CN1,0,GDB ChEMBL
234240,CCC(C)CCC=C1C=C(C)CC1,1,GDB ChEMBL
18383,NC(=O)C(CO)C(=O)NC(=O)C(O)C(=O)[O-],0,GDB ChEMBL
170096,CCCC1C(C)CC2C[NH2+]C(C)(C2)CC1(C)C,0,GDB ChEMBL
104451,C#CC[NH+](C)CCCC=O,1,GDB ChEMBL
16486,[NH3+]C(CO)CCC12OCC[NH2+]C1CCNC2=O,0,GDB ChEMBL
56675,O=C([O-])C1C2CC3NC31C(=O)N2,0,GDB ChEMBL
140367,C[NH2+]CC(CN(C)C(=O)NC(C)C)S(N)(=O)=O,0,GDB ChEMBL
94835,COC1C(=[NH2+])NCC(=O)OCC(CO)C1C,0,GDB ChEMBL
119996,NC1C2[NH2+]CCC2C1(CCO)C(=O)[O-],0,GDB ChEMBL
382473,CC1=CCCCCC=CC=CCC=C1,0,GDB ChEMBL
49172,CC#CCOC(=O)[C-]1NS(=O)(=O)C=C1C#N,0,GDB ChEMBL
326487,C[NH2+]CC([NH3+])CCCC#CC1(C)CC1[NH3+],0,GDB ChEMBL
311680,N#CC(N)C(O)C(C[NH3+])COC=O,0,GDB ChEMBL
38197,CCC(=O)OC12CC1C([NH+](C)C)C(O)C2O,0,GDB ChEMBL
296585,C[NH2+]C(C)C1C[NH+]=C(N)C1C#N,0,GDB ChEMBL
175582,C[NH2+]CCC1(N)C([NH3+])C1(O)CN(C)C(N)=[NH2+],0,GDB ChEMBL
22819,N#C[c-]1[nH]c(=O)c2nccc(NC=[NH2+])c2c1=O,0,GDB ChEMBL
366507,C[NH2+]CC12OC(=O)C(O)C3NS(=O)(=O)C1C32,0,GDB ChEMBL
351179,Cc1cn2cc(F)c([O-])cc2c1CO,0,GDB ChEMBL
300441,CC1CC(CC#N)OC(C)C1=O,0,GDB ChEMBL
44127,COc1cnn(CC#N)c1N,1,GDB ChEMBL
53673,CCc1c(Cl)ccc2c1CC1CCC1C=C2,1,GDB ChEMBL
182934,O=CC1CCCS(=O)(=O)C=CC(=O)NCC1,0,GDB ChEMBL
61522,CCC1OC2CC(NC(=[NH2+])OC)CC1OC2=O,0,GDB ChEMBL
351315,COC1COCCC([NH+]=C(N)NC=[NH2+])C1O,0,GDB ChEMBL
127871,C[NH2+]C1C(O)C(C[NH3+])C1Cc1ccccn1,0,GDB ChEMBL
182938,NC(=O)NC1C(=O)NCCCC1=NO,0,GDB ChEMBL
122964,CNC(=O)C([NH3+])C1C(O)C(NC=O)C1(C)O,0,GDB ChEMBL
203565,CC1CCCCC1C1(C(F)(F)F)CCC1,1,GDB ChEMBL
61507,C[NH2+]C1C(=O)C2(CO2)C(C)CC1C,0,GDB ChEMBL
61960,CC=C1CC2CCCC=CC=C1C2,1,GDB ChEMBL
29819,C#CCC1(C(=O)[O-])CC(=O)N(C(N)=O)C1,0,GDB ChEMBL
132831,CCCc1ncc2c(cccs1)C(C)[NH2+]C2C,0,GDB ChEMBL
77725,CCNC(=O)OC1C2CC2C(=O)[N-]S1(=O)=O,0,GDB ChEMBL
157103,NCC([NH3+])C1C(O)CC(CO)C1O,0,GDB ChEMBL
50129,CCN1CC#CC(C)(O)COC(=N)C1=O,1,GDB ChEMBL
252682,CC1=CCC=CC(=O)C1C(C)C,1,GDB ChEMBL
278105,C#CCCCC[NH+]1CC2CCCCC1(CC)C2,0,GDB ChEMBL
383035,C#CC(O)(c1cccc(O)c1)C1NC1C,0,GDB ChEMBL
243905,CC1CN2CCC(=NO)CC2C(=O)C(=O)N1,0,GDB ChEMBL
285106,CC(=O)NC(CCS(=O)(=O)[O-])C(N)=O,1,GDB ChEMBL
62080,CC1(C[NH3+])C=C(CO)C(=O)NC1,0,GDB ChEMBL
214894,CN1C(C#N)CC(COC(N)=O)S1(=O)=O,0,GDB ChEMBL
140319,C[NH2+]CCCNC(=[NH2+])CC(N)=O,0,GDB ChEMBL
67358,CCCOC(CO)Cc1sc(N)nc1C,1,GDB ChEMBL
247183,CC[NH2+]C1C2(C)CCC12OC,0,GDB ChEMBL
138389,C[NH2+]CC1=CCCC(C)CC1(C)C,0,GDB ChEMBL
45679,CCC(C(N)=O)C1C([NH3+])C1C(=O)[O-],0,GDB ChEMBL
53060,N=C(N)c1nnc(NC2CCC(O)C2)s1,1,GDB ChEMBL
33325,CC#Cc1c(Cl)cc(C)nc1Cl,1,GDB ChEMBL
355017,[NH3+]CCNC1COCC2OCOC12,0,GDB ChEMBL
338295,N#CCNC1C([NH3+])C(O)CC(C#N)C1CC#N,0,GDB ChEMBL
156188,CCCCC(C)CC1(C)C2CC(=O)CC21C,0,GDB ChEMBL
349930,CC[NH+]=C(N)N(C)C(=N)OCC,0,GDB ChEMBL
113582,CNC(=O)NC(=O)C1(N)CC(C)C(=O)NC1=N,0,GDB ChEMBL
48751,[NH3+]C1CCCC2C=CC(O)C12,0,GDB ChEMBL
22541,C#CCC1CC(CC)C(C(C)C)C(CCC)C1,0,GDB ChEMBL
116076,C#CC(CC(O)CC[NH3+])c1ccco1,0,GDB ChEMBL
179160,NC(=O)CC1C[NH2+]C1CCO,0,GDB ChEMBL
385367,CCN(Cc1[nH]nc(CO)c1C(C)C)C(C)=O,1,GDB ChEMBL
195294,CC(O)C1OC2CN(C=O)CC1(CO)C2,0,GDB ChEMBL
230488,CCCC(CC1[NH2+]C(C)CC1=O)C(=O)[O-],0,GDB ChEMBL
383082,CC(=O)N1CC2OC(=O)C23CC(O)C(C)C13,0,GDB ChEMBL
176394,COC12CC[NH2+]C1C2C(=O)[O-],1,GDB ChEMBL
209878,O=C([O-])C1CC2CCCOC21,0,GDB ChEMBL
1487,C#CCCCC1CC=C(C)CCC1,0,GDB ChEMBL
221138,NC(=O)C(O)CC1CC1c1nn[n-]n1,0,GDB ChEMBL
142004,CN1CCC(S(N)(=O)=O)C1C#N,1,GDB ChEMBL
387027,C#CC(O)(C[NH2+]C)Cc1cccc(F)c1,0,GDB ChEMBL
222088,CC([NH3+])c1cccc(F)c1CC1CCCCC1,0,GDB ChEMBL
166398,Cn1nc(OC(=O)C2NCC2CO)cc1N,0,GDB ChEMBL
194485,CC(C)C1CCN=C2OC3CC3C2NC1=O,0,GDB ChEMBL
362053,NC(=O)NC1CC(N)C([NH+]=C(N)N)C(CO)C1,0,GDB ChEMBL
239159,COC(C(C)O)C(C[NH3+])NC=O,0,GDB ChEMBL
45027,CC(NC=O)C([NH3+])C(N)C(=O)[O-],1,GDB ChEMBL
260734,CC(=O)Nc1nc(C)[nH]c1C1COC(=O)N1C,0,GDB ChEMBL
379860,CCC1N=C(C2(O)CC2)OC1=O,1,GDB ChEMBL
115928,CCOCc1cnc2cc(C)[nH]c2c1Cl,1,GDB ChEMBL
143812,CCC1CC(C)C[NH+]2C(C1)C(OC)C2(C)C,0,GDB ChEMBL
80470,CC(=O)OCc1csc(N)c1[N+](=O)[O-],1,GDB ChEMBL
284888,C1=CC2CCCC(CCCc3cc1cs3)C2,1,GDB ChEMBL
285734,[NH3+]C1CC[NH+]2CC1(CO)C(O)C2C(=O)[O-],0,GDB ChEMBL
169441,Nc1ncn2nc3ncccc3c(I)c12,1,GDB ChEMBL
1043,CCC(CC)c1cn2nccc2c(C)c1Br,1,GDB ChEMBL
313352,C[NH+]=C(N)C(NCCOC)C(O)C=O,0,GDB ChEMBL
338929,CCOC1CCCCc2c(C)ccc(Cl)c2C1,1,GDB ChEMBL
375560,NC(=[NH2+])CC#CC([NH3+])CCC(=O)[O-],0,GDB ChEMBL
4981,NC(=[NH2+])N1CC(O)(CC2C(=O)OCC2[NH3+])C1,0,GDB ChEMBL
44543,CNc1cc2nonc2c(O)n1,0,GDB ChEMBL
4849,CC(=[NH2+])NCC(CC(=O)[O-])S(N)(=O)=O,0,GDB ChEMBL
330028,CC#CC(CN(C)C(N)=[NH2+])C(N)=[NH2+],0,GDB ChEMBL
284282,C[NH2+]C(C=O)CC(O)(CO)CC1CO1,0,GDB ChEMBL
6000,CN(C(=O)CN)S(=O)(=O)CC1(N)COC(=O)C1,0,GDB ChEMBL
34292,C[NH2+]CC(=O)NC(=O)C1COC(=O)NC(=O)C1,0,GDB ChEMBL
322854,CC#CC1CC1Cc1ccc(C)c(Br)c1,1,GDB ChEMBL
47187,C[NH2+]CC(O)C1NC(C(=O)[O-])C(O)C1O,0,GDB ChEMBL
114345,[NH3+]CC1NC(=O)C(C2CO2)NC1=O,0,GDB ChEMBL
339238,COc1cc(C[NH3+])c(Br)c(O)c1C1CC1C,0,GDB ChEMBL
44548,NC(=O)C1C2C=CC1C2O,0,GDB ChEMBL
308003,CC1[N-]C(=O)N(C=O)CCC(=O)C(=O)NC1=O,0,GDB ChEMBL
345698,CCC(C)(C)CC1CCC=CC=C1C,0,GDB ChEMBL
334407,C#CC(C[NH2+]C)(OCC#N)C(C)CC=NO,0,GDB ChEMBL
352178,CC1(C)CCC2C1CC1C(=O)NC(C)(C)C12,0,GDB ChEMBL
166456,CC1CC=CC2C[NH2+]C(C)C12,0,GDB ChEMBL
112866,CC(=[NH2+])Nc1ccc(N(C)CC=O)cn1,0,GDB ChEMBL
273643,CC(O)C(=O)C1C2CCCC([NH2+]2)C1C,0,GDB ChEMBL
186777,CCC1C2CC3[NH2+]CCCCC3C12C,0,GDB ChEMBL
345403,CCC1C([NH+]=C(N)CCC[NH3+])CN1C,0,GDB ChEMBL
40922,CNc1ccoc1C#CC[NH2+]C1CC1,0,GDB ChEMBL
205919,CCCC1C(CC)CC1CC(C)C,0,GDB ChEMBL
116655,COCC1(C)NC(=O)C2C1N2C,0,GDB ChEMBL
363183,CC1CC(O)CN1C1C(N)C([NH3+])C1N,0,GDB ChEMBL
141872,CCCC1C2CCC(C1CC)C1(CCCC1)C2,0,GDB ChEMBL
26589,CCC(CC)C([NH3+])CO,1,GDB ChEMBL
120568,CCC(C(C)C)C1C=C(C)CC1,1,GDB ChEMBL
322957,CC12CC(O)CC(C)(C3CC31)C1CC12,1,GDB ChEMBL
39725,Cc1cc(F)ccc1OC1CCC1,1,GDB ChEMBL
95555,CN1CC(C)(C)OCC1=[NH2+],0,GDB ChEMBL
163885,CC(CC[NH3+])Cc1n[nH]c2c1CC(C(N)=O)N2,0,GDB ChEMBL
50340,N=C1CC2CC[NH2+]C(CO)C(O)C2O1,0,GDB ChEMBL
373995,Cc1cn(C)nc1C(C)C[NH2+]C(C)CC(N)=[NH2+],0,GDB ChEMBL
234896,C#CC(CC)c1cc(N(C)C)c(F)c(O)c1F,1,GDB ChEMBL
79538,C[NH2+]CC(C)C1CCC(CC(C)C)OC1,0,GDB ChEMBL
164655,CC1CN=C(S(=O)(=O)[O-])NC(=O)CO1,0,GDB ChEMBL
308193,CCOC(=[NH2+])NCC1NC1C(N)=O,0,GDB ChEMBL
140402,CCC(O)(C[NH2+]C)C(O)C(O)C(N)C(O)C#N,0,GDB ChEMBL
325261,C#CC(CC(C)(C)OC)C(C)(C)C,1,GDB ChEMBL
305122,CCc1c(Cl)ccc(OC2(C)CCCO2)c1C,1,GDB ChEMBL
77737,COCC#CC(C)[NH2+]C(C)CC#CCO,0,GDB ChEMBL
143195,CC1C(CO)C2CC(=O)NCC2(C[NH3+])C1[NH3+],0,GDB ChEMBL
350944,NC(=[NH2+])NCC1NS(=O)(=O)OCC1O,0,GDB ChEMBL
65614,C[NH2+]CCC1C(C)[NH+]2CCC2C1(C)CC#N,0,GDB ChEMBL
51020,N=C(N)NC(=O)C1C2OCC(O)C21,1,GDB ChEMBL
271109,CCC(=O)C1CCN2C(CO)C12,0,GDB ChEMBL
375468,COC1C2CC[NH2+]C(CN2)C1OC,0,GDB ChEMBL
5896,CC(C)C#CCc1ccnc(N)c1Br,1,GDB ChEMBL
120514,CC1C(=O)C=C(CO)C1O,1,GDB ChEMBL
299763,C#CCC1(C2CC(O)C[NH2+]2)CC(C)C1,0,GDB ChEMBL
94732,N=C(NC=O)c1ccco1,1,GDB ChEMBL
95230,NC(=O)CN1CC([NH3+])(C(O)C(=O)[O-])C1,0,GDB ChEMBL
332716,CCC1C2C=CC(=O)OC1C(C[NH3+])(CO)O2,0,GDB ChEMBL
101004,COCC(=O)C1(CO)NC(=O)CC1(C)O,0,GDB ChEMBL
24030,C#CC1C(CC(CC)C(C)O)C1C(F)(F)F,0,GDB ChEMBL
365766,O=C([O-])c1ccc(O)nc1,1,GDB ChEMBL
216469,CC(=O)OC(C)(CO)CCO,1,GDB ChEMBL
336616,CC(O)(CC#N)CC1[NH2+]CCC1C(N)=[NH2+],0,GDB ChEMBL
12831,CC(=O)NC1=NC(C)C(c2nnn[n-]2)N1,0,GDB ChEMBL
151806,CC1COC23CC2C(CN(C)C3)[NH2+]1,0,GDB ChEMBL
337414,C[NH2+]C1C(O)C1C1CC(C[NH3+])C(=O)N1,0,GDB ChEMBL
140142,C#CC(C)(C)C(C)(C)N1CCC(C(C)C)C1=O,1,GDB ChEMBL
48727,C#Cc1c(C)c(O)c(C(C)[NH3+])c(N)c1F,0,GDB ChEMBL
41144,CC1(C(C)(CO)c2nccc(N)n2)CC1,1,GDB ChEMBL
27017,CC(=O)OC1C(C#N)OCC1(C)OS(N)(=O)=O,1,GDB ChEMBL
315269,C#CC(C#N)C(C)(C)N(CC)C1C[NH2+]C1,0,GDB ChEMBL
249504,CCC1NS(=O)(=O)CC1(CCC(C)C)OC,1,GDB ChEMBL
217407,CCCC1(C)CC(C)=CC(OC)C1CC,1,GDB ChEMBL
318572,[NH3+]C1CC2OC2(C(=O)[O-])C1NC=O,0,GDB ChEMBL
173879,CCC(OC(=O)CC#N)C(O)C#N,1,GDB ChEMBL
19353,CC(CC[NH3+])(C(N)=O)C(O)S(N)(=O)=O,0,GDB ChEMBL
12799,COC1CCC1CC(C)(C)C#N,1,GDB ChEMBL
375857,CCc1ccc(C(C)C)nc1,1,GDB ChEMBL
18875,CC([NH3+])C1CNC(C)C(C[NH3+])(CC(N)=O)C1,0,GDB ChEMBL
98878,COC(CC[NH3+])C(C)(C)NC=[NH2+],0,GDB ChEMBL
132494,CC1OC1C1COC(=O)CC(O)C1[NH3+],0,GDB ChEMBL
382600,Cc1nc[nH]c(=O)c1C([NH3+])C(=O)[O-],1,GDB ChEMBL
305613,CCCCN1CC[NH+]=CNC1=O,0,GDB ChEMBL
39731,CC1C(O)CC2C(OCC(=O)[O-])CC(O)CC12,0,GDB ChEMBL
31086,CNC(=O)C1COC2CC2C1,0,GDB ChEMBL
157516,CC#CC(C)[NH+]1CCC2CCC(C)C21,0,GDB ChEMBL
284887,COC(CC(C)O)C(=O)NC=NCC([NH3+])CO,0,GDB ChEMBL
252043,CC1CC2(N)C(=[NH2+])NC1CC2C[NH+](C)C,0,GDB ChEMBL
218578,CCNC1(C=O)C=CCC(C)CC=C1,0,GDB ChEMBL
36061,CC(C)NC(C[NH3+])(C(N)=O)C(O)CC#N,0,GDB ChEMBL
141826,COCC1CC(=O)OC2(CC2)C(C)(C)C1,0,GDB ChEMBL
51006,C[NH+]1C(CO)CC2OCC21,1,GDB ChEMBL
99587,CCC1C2CCCC1(C)CC(C[NH2+]C)C2,0,GDB ChEMBL
332458,C[NH+](C)C1C=CC(=O)C(C#N)C1,0,GDB ChEMBL
118718,[NH3+]C(CCC1CC(O)C2OC12)CC(F)(F)F,0,GDB ChEMBL
284333,CN1CC(=O)C(C)(C)C1,1,GDB ChEMBL
274936,CCCC1C(C)CC(C)CC(C)[NH+]1CC,0,GDB ChEMBL
156761,CC1CC2CCC3CC[NH+]1CC32,0,GDB ChEMBL
132860,CC(C)(CNC(=[NH2+])C#CCC=O)C(=O)[O-],0,GDB ChEMBL
6147,CN(CCO)CC(=O)S(=O)(=O)[N-]CCO,0,GDB ChEMBL
201467,CC(N)C(=O)Oc1nc(N)c(C[NH3+])c(F)c1O,0,GDB ChEMBL
267341,O=CCNC(=O)CNC1=[NH+]CCC(C(=O)[O-])N1,1,GDB ChEMBL
61798,N#CCNCC(C[NH3+])OS(N)(=O)=O,0,GDB ChEMBL
261384,CC(C)C1CCOCC2CC(C#N)CC2(C)C1,0,GDB ChEMBL
186591,O=C1NCCN2CC2c2c[nH]nc21,0,GDB ChEMBL
20717,C#CC1[NH2+]C(CCCC)CC(C)(C)C1C,0,GDB ChEMBL
177312,CCC1(C)NC(=O)Nc2c[nH]c(C)c2C1=O,1,GDB ChEMBL
314164,C[NH2+]CC1C(C)CC2CC=C(C=O)C21,0,GDB ChEMBL
366934,COCC1CCNC(N)=[NH+]c2cn(C)c(C)c21,0,GDB ChEMBL
345430,CNc1c(C#N)[nH]c2cccc(C)c12,1,GDB ChEMBL
228915,[NH3+]CCCOc1ccnc([N+](=O)[O-])n1,1,GDB ChEMBL
21510,COC1CCOC(=O)c2c[nH]nc21,0,GDB ChEMBL
38516,CCC1C(CO)C(C)CC2[NH+]1CC2(C)C,0,GDB ChEMBL
351397,CC#CC1(CC)CC(CCCC[NH3+])CO1,0,GDB ChEMBL
190385,C[NH+](C)CC1C(=O)NCC2(C#N)CC1N2,0,GDB ChEMBL
281197,CC(C)C1=CC2CC(CO)(C[NH2+]2)C1=O,0,GDB ChEMBL
355778,O=CNCCc1cocn1,1,GDB ChEMBL
22817,CC1(C)CCCC2CCCCC=C21,1,GDB ChEMBL
336634,CC(=O)NCC12CC(C1[NH3+])S(=O)(=O)N2,0,GDB ChEMBL
225464,CCNC(=O)C1(C)C(O)C1[NH2+]CC,0,GDB ChEMBL
304580,C#CCC(CC[NH2+]C)C(C#N)(CC)C(C)(C)C,0,GDB ChEMBL
85026,C[NH2+]CC(CO)NCCc1nc(C)csc1=O,0,GDB ChEMBL
234393,CC1C2C=CCC3C(C[NH+](C)C13)O2,0,GDB ChEMBL
251039,CC(C1CCO1)C(O)C(=O)[O-],0,GDB ChEMBL
379169,C#CC1(CC(C)CC(O)C(C)C)NC1C[NH3+],0,GDB ChEMBL
171832,C#CCC1(OCC(C)O)CC(C[NH2+]C)N(C)C1,0,GDB ChEMBL
118378,CCc1c(C)c(OC2CC2)cc(I)c1N,1,GDB ChEMBL
29739,COc1cc(C)c(=O)on1,0,GDB ChEMBL
188084,COCC(O)C([NH3+])C1OC(=N)CC(O)C1O,0,GDB ChEMBL
314139,CC(C)NC(=O)C[NH+]=C(N)Cc1cn[nH]c1,0,GDB ChEMBL
299951,CC[NH2+]C1CC2(C)CC(O)CC(CC)C12,0,GDB ChEMBL
181379,C=CC(C=O)C1=CCC(CCC)C1,0,GDB ChEMBL
326422,CC(N(C)CC([NH3+])C(=O)[O-])S(N)(=O)=O,1,GDB ChEMBL
16751,CC[NH2+]CCC(C)(CC)C1CC1C#N,0,GDB ChEMBL
265307,CCCC1C[NH+](C)CC1CCC,0,GDB ChEMBL
59171,N#CC1CNCCOC(=N)C(O)C1N,0,GDB ChEMBL
224044,CC#CCC1CCC1c1cc(C)cc(F)c1,1,GDB ChEMBL
170148,CC(=O)N1CS(=O)(=O)CC2C[NH2+]CCC21,0,GDB ChEMBL
47760,CC(C#N)CN(C)C(=O)C(=N)N,1,GDB ChEMBL
271527,N=C1NC(=O)c2ncoc2CN1C(N)=O,1,GDB ChEMBL
334467,N#CC(N)(CNC(N)=[NH2+])C1NCC1C[NH3+],0,GDB ChEMBL
336044,CCCCCC1CCC(C[NH2+]C)CC1CC#N,0,GDB ChEMBL
353948,C=C(C)C(C)(C)C(CC)CCCC,1,GDB ChEMBL
389077,CC(C#CC1CC1)CCC1CCC(C)CC1,1,GDB ChEMBL
344404,C[NH+]1CCC2c3[nH]ccc3OCC21,0,GDB ChEMBL
198658,CC(O)CCC1C=CC[NH2+]1,0,GDB ChEMBL
33556,CCc1cc(Br)c(C(C)C2CC2)cc1C,1,GDB ChEMBL
70770,CC1([NH3+])CC=C2C(=O)NC(CCO)C21C,0,GDB ChEMBL
390076,CCC(C)(CC)CC(C)C#N,1,GDB ChEMBL
37627,C#CCCCC(C)C(C=O)C(C)C,0,GDB ChEMBL
35469,C#Cc1nc(CC2CCOC2)[nH]c(=O)c1CC,1,GDB ChEMBL
352810,CC1C2C=C(CO)C1C(CC[NH3+])OC2,0,GDB ChEMBL
227512,CC(C)C1(O)CC(C)([NH3+])CC1(CO)C(F)(F)F,0,GDB ChEMBL
43551,CC1=CC=CCCC=CC1C(C)[NH3+],0,GDB ChEMBL
308657,CC1CC=C2C1CC1C(O)CCCC21,0,GDB ChEMBL
308667,CC(=O)OC12CC(CO)=CC([NH3+])(C1C)C2C,0,GDB ChEMBL
13162,[NH3+]CCC1NCC[NH2+]C1CCC[NH2+]CCCO,0,GDB ChEMBL
362868,C#CCNc1c(CC#C)ccc(C)c1Cl,1,GDB ChEMBL
288950,CN=C(CC(C)C(O)CC(C)COC)OC,1,GDB ChEMBL
131679,Nc1ccc(I)c2ccc(CC3CC3)cc12,1,GDB ChEMBL
112041,COCC#CC(=O)C#CCC(=O)[O-],1,GDB ChEMBL
115178,COC(=O)COC(=O)CC(O)CO,1,GDB ChEMBL
181014,CCCC1C(=O)NCC2(C)C(S(=O)(=O)[O-])N12,0,GDB ChEMBL
334699,O=C1CC(O)C2C[NH2+]CCC12,0,GDB ChEMBL
239098,CCS(=O)(=O)N1CC(C)NC1=O,1,GDB ChEMBL
76741,CCCC(c1sc(C)c(C)c1C(C)C)C(C)C,1,GDB ChEMBL
39760,C[NH2+]CCC12CC1C(CC(N)=O)CC(N)=[NH+]2,0,GDB ChEMBL
38910,CC(C)CC[NH2+]C1COC(=[NH2+])NC1C,0,GDB ChEMBL
173908,CC1OC2CN(C)C(=O)C12NC(N)=O,0,GDB ChEMBL
179429,CC1NCC(C(N)=[NH2+])C(C(O)C(N)=[NH2+])NC1=O,0,GDB ChEMBL
115879,Nc1ccc2c(c1I)OC(C[NH3+])C(C[NH3+])C2,0,GDB ChEMBL
296393,CCCC(C)C1CCC2(CC)CC(C)C1(C)C2,0,GDB ChEMBL
11374,C[NH+]1CCC(O)CC(=[NH2+])NC(CN)C(O)C1,0,GDB ChEMBL
202791,C#CC(=O)S(=O)(=O)CC(C(=O)[O-])N(C)C,0,GDB ChEMBL
105118,CC#Cc1cc(C)cc2c1C(C)CC2,1,GDB ChEMBL
363122,CC#CC(c1cc(CCC)ccn1)C(C)C,0,GDB ChEMBL
179299,CC1COCCCNC=[NH+]CC1C[NH3+],0,GDB ChEMBL
227889,CC1CCC(C)(C)C2C([NH3+])CC1C21CC1,0,GDB ChEMBL
86734,CCC1(CC)C[NH+]=C(N(C)CC(C)C)C1,0,GDB ChEMBL
148899,Cc1nccc(C2OCC2[NH3+])c1C(C)(C)C,0,GDB ChEMBL
366733,O=C([O-])CC12COC(C1)OC2,0,GDB ChEMBL
264918,CCCC1[NH2+]C2C3CCC2C1O3,0,GDB ChEMBL
202008,O=C1CNc2csnc2C(O)CN1,1,GDB ChEMBL
388274,C1#CC=CC[NH2+]CCCCC=C1,0,GDB ChEMBL
221111,CC[NH+](C)CC1(O)COC2C(CC2[NH2+]C)C1,0,GDB ChEMBL
291467,CC1OC1C([NH3+])CC(O)CCS(=O)(=O)[O-],0,GDB ChEMBL
265529,NC1=NC(CCCC(=O)OCCO)C([NH3+])CO1,0,GDB ChEMBL
278258,CNC(=O)OC1=NCC(=O)OCC1O,0,GDB ChEMBL
304463,CC[NH+]1CCC(C(C)C(C)C)CC1(C)C(C)C,0,GDB ChEMBL
153224,CC1(C(=O)[O-])CN2C(N)=[NH+]CC2C1C(N)=[NH2+],0,GDB ChEMBL
282191,CC(C#N)CC1C(C(=O)[O-])C1C(C)O,0,GDB ChEMBL
341872,CCC(C)[NH+](C)CC(C)(C)O,0,GDB ChEMBL
136500,CC1C2c3c(Cl)cccc3N(C1C)C2C,1,GDB ChEMBL
104655,CCC1C(=O)C(O)C2[NH2+]CC12,0,GDB ChEMBL
358222,CCC(C)COC(=O)C1NC1CC[NH3+],0,GDB ChEMBL
374901,Cc1cc(F)cc2c1C1CCC2CCC1C,1,GDB ChEMBL
151733,CCCC([NH3+])C(N)C(C)(O)CC1CCC(C)C1,0,GDB ChEMBL
383947,CC(O)c1ccc(N)c(F)c1,1,GDB ChEMBL
16496,C[NH+](C)CC#CC(C#N)(CO)C(O)C[NH3+],0,GDB ChEMBL
320759,C#CC(O)C[NH2+]CCNC(C)C(F)(F)F,0,GDB ChEMBL
71317,O=C1Oc2cccn2CC1Cc1cncnc1,1,GDB ChEMBL
240399,CC(C[NH3+])N1CC(NC(N)=[NH2+])=NC(CO)C1,0,GDB ChEMBL
112460,CC1=CCC2CC1C(CO)C2C(C)(C)C,0,GDB ChEMBL
282016,CN(C)C(=O)OCCCC(O)C#N,1,GDB ChEMBL
31389,CN1C(=N)NC(=O)C1C(O)C(O)C(N)=[NH2+],0,GDB ChEMBL
127897,CC1(C)CNC(=O)C2CCC21,1,GDB ChEMBL
372696,CC1(c2cccnc2Cl)C2CC=CCC21,0,GDB ChEMBL
203785,CC1OC1(C)C([NH3+])C(O)CC(=O)[O-],0,GDB ChEMBL
288688,CC(C[NH3+])NS(=O)(=O)OCC(N)=O,0,GDB ChEMBL
391637,CC(C(=O)[O-])C1(O)CC1(C)C,1,GDB ChEMBL
200966,C#Cc1c(F)cc(F)c(CC)c1N(C)C,1,GDB ChEMBL
215450,CC1OC(=O)C2(N)CC(C2)C1NC(N)=[NH2+],0,GDB ChEMBL
181346,C[NH2+]C1CC1C(O)C(O)CS(N)(=O)=O,0,GDB ChEMBL
310287,C[NH+]1CCC2COCCC21C(N)C[NH3+],0,GDB ChEMBL
299158,CC1CC2CC(c3ccccn3)(CO2)C1,0,GDB ChEMBL
76721,CCC(C)(C)C(C)CC(C=O)C1CCC(O)C1,1,GDB ChEMBL
295905,CCC1C2CCC3CCC(C)(C(C)C3)C1CC2,0,GDB ChEMBL
120686,CC1[NH2+]C2(CC1O)C(O)C2NS(C)(=O)=O,0,GDB ChEMBL
342624,CC1=CCCC2CC1C[NH2+]2,0,GDB ChEMBL
174289,C[NH+](CCC(=O)[O-])C1COC1(C)C(O)C[NH3+],0,GDB ChEMBL
263258,CCC1C[NH2+]C2CC1CC2C,0,GDB ChEMBL
113569,CC1C2CC=CCC(CNC(N)=O)C12,0,GDB ChEMBL
284395,CCC(C)C1C(C)=CC(C(C)C)C1(C)C,0,GDB ChEMBL
124824,C#CCC1C(CC(C)CC)C=C(C)C1(C)C,0,GDB ChEMBL
50119,CCCc1cc(F)c(C)c(CC)c1,1,GDB ChEMBL
89707,C#Cc1cc(O)cc(C(C)C(C)(C)C#C)c1,0,GDB ChEMBL
298963,[NH3+]C1C(O)C(=O)NC1C(O)C(O)CO,0,GDB ChEMBL
119449,CC(C)C1CC2(CO)CC2[NH2+]1,0,GDB ChEMBL
190082,NC(=O)C1=CC(O)CC1=NO,1,GDB ChEMBL
336015,COC1C(=N)NC(C(N)=O)C1(O)C(O)CCO,0,GDB ChEMBL
348873,C[NH2+]C(CO)C1CC2(CCOCC2)CC1C[NH3+],0,GDB ChEMBL
318532,CC#Cc1c(C)c(F)c(C)c2ccoc12,1,GDB ChEMBL
161109,C#Cc1c(OCC2CCCO2)n[nH]c1CC,1,GDB ChEMBL
41180,CC1C([NH3+])C(C)(C(=O)[O-])C1OS(N)(=O)=O,0,GDB ChEMBL
75817,CCCN1C(C)C1C(O)CC,1,GDB ChEMBL
39749,CC1=CC(C2CC2)C(C)C(=O)N(C)C1,1,GDB ChEMBL
309653,CC1C(=O)NCC=CC1CC[NH3+],0,GDB ChEMBL
377783,Cc1cc(N)cc(Cl)c1[NH+]=CNCCOC=O,0,GDB ChEMBL
343226,O=C1NCC[NH2+]CC2CC(CO)C12,0,GDB ChEMBL
372593,NC(N)=[NH+]CCN1CCOC1=O,0,GDB ChEMBL
219489,CC12CC(C(=N)O1)N(CC(=O)[O-])C(=O)CO2,0,GDB ChEMBL
94733,CCCc1c(CC[NH3+])cc2c(C)csc2c1F,0,GDB ChEMBL
81599,O=C1C[NH2+]CCCCC2(CCc3c[nH]nc32)N1,0,GDB ChEMBL
68664,NC1C(=O)NCC([NH3+])C1C(=O)[O-],0,GDB ChEMBL
24237,CC1C2C(NC(N)=[NH2+])C(C(N)=O)NC12C#N,0,GDB ChEMBL
230479,N=CN1C(=N)N(CC2CC2)CCC([NH3+])C1=O,0,GDB ChEMBL
116621,CC1C(CC[NH3+])NC2C[NH2+]C1C2O,0,GDB ChEMBL
334591,CC1=CC(C)C(C)CC=CC1,1,GDB ChEMBL
26563,C=C(C=CC)C1CCCCC1CC,1,GDB ChEMBL
127458,CC1CC(C(N)C(N)=O)C2CC1[NH2+]2,0,GDB ChEMBL
132519,CCCC(C)(C)CC1C2COC1C(C)C2,0,GDB ChEMBL
261339,[NH3+]CCNC1CS(=O)(=O)[N-]C1=O,0,GDB ChEMBL
244353,COC(C)C(C)C([NH3+])C(C)C,0,GDB ChEMBL
348839,CC1CC2CC2(C)C1c1ccccc1F,1,GDB ChEMBL
285066,C[NH2+]CC1=CC(=O)C(C(=O)[O-])=C1N,0,GDB ChEMBL
234219,CC(=O)NCCCOC=NCCCC=NO,1,GDB ChEMBL
286847,CC1CCOC2C3C[NH+](C)C(CC3C#N)C12,0,GDB ChEMBL
120735,CCC([NH3+])CC1(N(C)C(C)=O)CC1,0,GDB ChEMBL
17280,CS(=O)(=O)c1ncnc2c1C(=O)CCOC2=O,0,GDB ChEMBL
218537,C[NH2+]CC(O)C1OC1C(C[NH3+])NC(N)=O,0,GDB ChEMBL
189981,CC1CC2CC(C)OCC(O)C2C(C(C)[NH3+])C1,0,GDB ChEMBL
210218,NC1=NCCNCC(=O)N1C=O,1,GDB ChEMBL
387267,CC1CCNC(=O)C(O)C2CC2C1C,0,GDB ChEMBL
79595,C[NH2+]C1CNCC(C)C1C(C)C,0,GDB ChEMBL
328889,CC[NH2+]CC12CCC(CC)CC1CC2CC,0,GDB ChEMBL
230701,CC1=C2Cc3c(Cl)cccc3C2CCCC1,0,GDB ChEMBL
115408,CCC12CC(CCC[NH2+]1)OC(C(C)C)C2,0,GDB ChEMBL
249399,CC(C)OC(=N)N1CC1C(N)(CO)C(=O)[O-],0,GDB ChEMBL
273700,CC1CC2CCC1C2(C)CC1C=CCCC1,0,GDB ChEMBL
375881,CCCC(C)CC(C)(C)C(C)C(CC)CCC,0,GDB ChEMBL
104953,COC1C([NH3+])CC2CCC1[NH2+]2,0,GDB ChEMBL
308136,COC(=[NH2+])NCC([NH3+])CC(C#N)C[NH3+],0,GDB ChEMBL
220157,CC1CC(C)(C)C(C)([NH3+])C1,0,GDB ChEMBL
34845,CCCCC(c1ccc(I)cc1C)C(C)CC,1,GDB ChEMBL
143784,[NH3+]C1(C(O)C(=O)[O-])CCOC1,0,GDB ChEMBL
90291,N#CC1CS(=O)(=O)N(CC(=O)[O-])C2CN1C2,0,GDB ChEMBL
280895,CC1CCC([NH3+])CN(C=O)C1C(O)C1CO1,0,GDB ChEMBL
377332,CC#CC1C(OC(C)=O)CN1C,0,GDB ChEMBL
372489,C#CC(=[NH2+])NC(C[NH3+])C(C)C(=O)[O-],0,GDB ChEMBL
12811,COC1OC(C)C([NH2+]CCS(=O)(=O)[O-])C1N,0,GDB ChEMBL
258246,[NH3+]CC1OC1C1NC(=O)NC(=O)C1O,0,GDB ChEMBL
336018,CNC(=O)C1Cc2scnc2OC(COC)=N1,0,GDB ChEMBL
371674,CC(O)C([NH3+])C(C(=O)[O-])n1ccnn1,0,GDB ChEMBL
315272,C#CCC1C(CC)C(C)C2CCCCCC21,0,GDB ChEMBL
381484,C1CC2COC(C3CC3)C(C2)[NH2+]1,0,GDB ChEMBL
66636,CC([NH3+])CC[NH+]1CC(C)(C)C1,0,GDB ChEMBL
29602,CCC(C)CC(C)(C)C([NH3+])C1(O)CC=CC1,0,GDB ChEMBL
127748,CC1C=CC2=CCCCC(C)(C)CC(=O)C21,0,GDB ChEMBL
362339,CCC1=[NH+]CC(C)(C)CN1C,0,GDB ChEMBL
65929,CC(C1NC1C(CCO)C(=O)[O-])S(N)(=O)=O,0,GDB ChEMBL
77730,CCCCC1CC=C2C1=CCOC(=O)C2C,0,GDB ChEMBL
136133,CCc1c(CCO)ccc([N+](=O)[O-])c1F,1,GDB ChEMBL
126886,CCC1C2CCC(C)C2C1C(N)=O,0,GDB ChEMBL
277976,CN1C(=O)C2C(N=C1N)C2C(=O)[O-],0,GDB ChEMBL
3989,N#CCC1C(=O)N2C1CC([NH3+])C2C(F)(F)F,0,GDB ChEMBL
120723,Cc1ncc(I)c(C#N)n1,1,GDB ChEMBL
354971,CC1(C)CC(CO)C([NH3+])C1CO,0,GDB ChEMBL
263195,C[NH2+]CC1CC(O)C2C1N2C=O,0,GDB ChEMBL
5879,CC1(C(N)C(N)=O)C(O)C1C(N)=[NH2+],0,GDB ChEMBL
197058,CCC1C=CC(O)CC(C(C)C)CCC1,1,GDB ChEMBL
163864,CC1CNC(=[NH2+])N2CC(C2)C[NH+]1C,0,GDB ChEMBL
108675,CC[NH+]1CCC2(C1)C([NH3+])C1NCC[NH2+]CC12,0,GDB ChEMBL
220194,CCC(CO)Nc1cn[nH]n1,1,GDB ChEMBL
174829,CCNC(=O)CC(N)(C#N)CNC=O,1,GDB ChEMBL
392537,COC1C(CO)CC2(O)CN(C=O)C12C,0,GDB ChEMBL
161067,COCC1=CN(C)C(=O)C2(CC2)N1C(C)=O,0,GDB ChEMBL
351146,[NH2+]=C1CC(COC2CC=CC2)CN1,0,GDB ChEMBL
88141,C=CC(NC(=O)NCC)C(=C)C#N,1,GDB ChEMBL
307925,NC(=O)NC(=O)NC(=O)C(O)CO,1,GDB ChEMBL
266439,CCC1C(C)C2Cc3c(Cl)cccc3C2C1C,0,GDB ChEMBL
186040,COCC=CC1OC(C)C(C)C1C,1,GDB ChEMBL
159894,C#CCC#CC1CC1c1ccc(I)cc1,1,GDB ChEMBL
109171,CCC1CC#CCCC(C(N)=O)=CC1,0,GDB ChEMBL
148849,C#CC1[NH2+]CC(C=O)C(C(C)C(=O)[O-])C1CO,0,GDB ChEMBL
182874,CCCCNC1=CC(N)=[NH+]C(C)C1,0,GDB ChEMBL
374207,CC[NH+](C)CCCCCC1CCC(C)C[NH+]1C,0,GDB ChEMBL
16758,CC1C2CC(=O)C1(O)C1CNC(=O)C(CO2)C1,0,GDB ChEMBL
311346,CC1NC(=O)CC(=O)C(=O)C2=CCN(C)C21,0,GDB ChEMBL
385429,CC(=O)C(CC(=O)[O-])OC(=[NH2+])N1CC(O)C1,1,GDB ChEMBL
58983,CC1NC(=O)OC1(CC[NH3+])C(O)C#N,0,GDB ChEMBL
292667,CCC(CO)(Nc1cncnc1)C(N)=[NH2+],0,GDB ChEMBL
104607,CC1C(CO)C#CC=C2CCC1N(C)C2=O,0,GDB ChEMBL
88186,COC=NCC(=O)Nc1c(O)ncc(Cl)c1C,1,GDB ChEMBL
25172,CC1(C)C=C(CCCO)CC1,1,GDB ChEMBL
332653,CC(C#N)CCN1CC1C,1,GDB ChEMBL
70924,N=C1NC(=O)OCCC([NH3+])C1N,0,GDB ChEMBL
240516,CC1CC1(C)N(C)CC(F)(F)F,1,GDB ChEMBL
210701,CN1C(=O)CCNC(=O)OC2(C)CC12,1,GDB ChEMBL
141900,C#CC(C#C)Cc1c(C)ncc(Cl)c1COC,0,GDB ChEMBL
216172,C#CC1=CC2C(C1)CC(OC)C(CC)C2C,0,GDB ChEMBL
392261,CC(=O)NCCNC1=[NH+]C(C)CCC1(C)[NH3+],0,GDB ChEMBL
101015,CC1C([NH3+])CC(CC2CC2)N1C=O,0,GDB ChEMBL
314946,CCCCC1(C)C(C)C(C)CC2C(C)C[NH2+]C21,0,GDB ChEMBL
244448,CN1C(=[NH2+])CC([NH3+])C2CNC(=O)C21,0,GDB ChEMBL
142006,CCC1(O)CC(C)C(C)C1[NH2+]C,0,GDB ChEMBL
218572,CCC(CCc1ccc(I)c(C)c1)C(C)(C)C,1,GDB ChEMBL
21901,CCc1c(C[NH3+])ccc2c1C=CCC2,1,GDB ChEMBL
191500,CC#CC(C)C1(C)CCC(CCC[NH3+])C1,0,GDB ChEMBL
313318,COC=NCC(CN(C)C(N)=[NH2+])C1CC[NH2+]C1,0,GDB ChEMBL
68667,C#CC1(CC#CCc2ccccc2Cl)CC1,1,GDB ChEMBL
294469,N#Cc1cc(C=O)co1,1,GDB ChEMBL
293809,C#CCC([NH3+])C1C[NH2+]C2C(CC(=O)NC2C)C1,0,GDB ChEMBL
201719,C#CC(N)C1(C)CC(C)C[NH+]1C,0,GDB ChEMBL
65639,CN(C)c1cnoc1CC(CCO)OC(N)=O,0,GDB ChEMBL
87135,CC1C(O)CC(=O)N2C(C[NH3+])C12CS(=O)(=O)[O-],0,GDB ChEMBL
263226,N#C[C-](C#N)CC(CC[NH3+])Oc1nccnn1,0,GDB ChEMBL
394884,CC1CC2(NC2(C(N)=O)C(=O)[O-])C(O)C1[NH3+],0,GDB ChEMBL
174835,CCc1c(C)c[nH+]c(N(C)C(C)(C)C)c1CC,0,GDB ChEMBL
296652,CC1CCCC=CC(C)[NH2+]C1,0,GDB ChEMBL
304302,[NH3+]CC1NC(=O)C([NH3+])CC2C(O)C12,0,GDB ChEMBL
239390,CC1C[NH+](C)C2(C)CC(C[NH2+]1)C2,0,GDB ChEMBL
34762,C#CCC(O)(C(C)CCC(C)C)C1CCCC1,1,GDB ChEMBL
242629,C#CCC1C(C)CC(O)C2(CC)CC1C[NH+]2C,0,GDB ChEMBL
276288,CN1CC(C)(OCCS(N)(=O)=O)C1,1,GDB ChEMBL
272552,CCc1scc2ccc(F)c(C(=O)NC)c12,0,GDB ChEMBL
144622,C1=CCC2NCC[NH2+]C2CC1,0,GDB ChEMBL
104723,CCCCC12C=CCC3C(C1)C3C2,0,GDB ChEMBL
330387,CCCCC(C)C1CC2CCC(C1)C2CCC,0,GDB ChEMBL
313750,CS(=O)(=O)CCN1CCNC1=O,1,GDB ChEMBL
269312,COCCC(C)C1C2C(=O)N3CC3C21,0,GDB ChEMBL
203247,C#CC(C[NH3+])(CNC(N)=O)C([NH3+])CC(N)=O,0,GDB ChEMBL
236606,C=C1C[NH+](C)CCCC(=CC)C1C,0,GDB ChEMBL
282001,Cc1cc2c(cc1Cl)C1(CC[NH2+]C1(C)C)CC2,0,GDB ChEMBL
222583,C#CC(C[NH3+])(COC)NCCC(C)C,0,GDB ChEMBL
207976,Cc1cc2c(c(Cl)c1O)C1CC(C1)C2[NH3+],0,GDB ChEMBL
134795,[NH3+]C1CC([NH3+])C(O)C2(CO2)C1O,0,GDB ChEMBL
94727,CC1NC2C(=O)OC1C(O)C2C,0,GDB ChEMBL
338927,COc1cc(F)c2c(c1)C1(C)CCCC1C2C,0,GDB ChEMBL
338260,C#CCC1(C)CCC(=CCCC)C1,1,GDB ChEMBL
378588,COCC(O)CCN1CC[NH+]=C1N(C)C(N)=[NH2+],0,GDB ChEMBL
362798,Cn1nc(O)c(OC(N)=O)c1NC1(C)CC1,1,GDB ChEMBL
375693,Cc1c[nH]c2c1OCC(CC(C)C)C[NH+](C)C2,0,GDB ChEMBL
392293,COC(C)C(C(N)=[NH2+])C(O)S(N)(=O)=O,0,GDB ChEMBL
41294,CC1([NH3+])C(O)C2(CC(=O)[O-])CNS(=O)(=O)C12,0,GDB ChEMBL
314102,CNS(=O)(=O)CC(CO)C(C)[NH3+],0,GDB ChEMBL
395920,CC1CC=CC1(O)C1CNC(C#N)C1,0,GDB ChEMBL
4771,CNC(=O)C12CC(O)C([NH3+])C(N)(CO1)C2,0,GDB ChEMBL
151769,NC(=O)C12C[NH2+]C1CCC2OS(N)(=O)=O,0,GDB ChEMBL
19382,CCC(C)c1ccc(C)c(CC(C)(C)C)c1Br,1,GDB ChEMBL
304102,CCCCC1([NH+](C)C)CC(C)C([NH3+])C(N)C1O,0,GDB ChEMBL
110212,CCN1C2COC3C(C2)C31,0,GDB ChEMBL
269389,C[NH2+]CC1=CCC(C)C=C(C)CCC1,0,GDB ChEMBL
116368,COC(C)C(C)C1C2N1C(=O)CNS2(=O)=O,0,GDB ChEMBL
304851,CC1(C)C=CC2C(O)CC(CCC1)CC2O,0,GDB ChEMBL
157065,C[NH+](C)CC(CCC(F)(F)F)C1NC1C#N,0,GDB ChEMBL
346997,CC(C)CC1CCC2(C)CC2CNC1=O,0,GDB ChEMBL
34958,CC(C)N1C(C#N)COC2C(=O)CNCCC21,0,GDB ChEMBL
309173,CC1C(C(=O)[O-])C1(C)Nc1nccc(O)n1,0,GDB ChEMBL
367601,CCC([NH3+])CC(O)CC1(C)COC(C#N)C1,0,GDB ChEMBL
96072,C#CC([NH3+])CC(=O)NC(CC)(CC)C(O)CO,0,GDB ChEMBL
348455,CN(CCO)C12C[NH2+]C(C1)C2,0,GDB ChEMBL
276108,CC12CC(C#N)C(O)C(N=C(N)O1)C2O,0,GDB ChEMBL
94896,C#CCC1CC=CCC(CC)C1,0,GDB ChEMBL
19409,CCC1(C#N)OCCC1(C=O)CCNC(N)=O,0,GDB ChEMBL
47996,C#CCCC1(C#N)CC(OC)C1,1,GDB ChEMBL
391311,CC#CC1(CCCC)CC(C)=CC1C(C)C,0,GDB ChEMBL
2968,CCC(O)C1C(C(O)C(C)O)COC1(C)C,0,GDB ChEMBL
355120,COCCn1c(=N)[nH]cc(C[NH3+])c1=O,0,GDB ChEMBL
316459,C#CC(CC1(CC)C[NH+](C)C1)OCC(=O)[O-],0,GDB ChEMBL
92344,COC1(CNC(N)=[NH2+])C([NH3+])COC(=O)C1(C)N,0,GDB ChEMBL
309660,CCc1nc(N)nc(C)c1C[NH3+],0,GDB ChEMBL
281058,C#CC(CCC)C1(C)C(C)[NH2+]CC1OC(C)=O,0,GDB ChEMBL
275482,CC1=NCCC(C#N)(C(N)=O)CC(C)O1,0,GDB ChEMBL
207264,CCCC(O)CC=C1COCC1C,0,GDB ChEMBL
303339,C[NH2+]CC(O)C1(CCO)C2OCOC21,0,GDB ChEMBL
236580,COCC12C[NH+](CCO)C(C)(C1)C2OC,0,GDB ChEMBL
247482,Cc1c(O)c(C(=O)CO)cn2nc(C#N)cc12,1,GDB ChEMBL
181637,C#CCc1c(C)cc(C)c(C)c1C(C)C,1,GDB ChEMBL
303924,CC(=O)NC1CC(=O)C1OS(N)(=O)=O,0,GDB ChEMBL
341353,CC1(COCC(F)(F)F)CC(C(=O)[O-])[NH2+]1,0,GDB ChEMBL
205955,CCC1CC2CCC(CC(=NO)C2)C1,0,GDB ChEMBL
663,C=C1CCC1([NH3+])CC[NH+](C)CCO,0,GDB ChEMBL
334740,Nc1nc(C[NH3+])cc(S(N)(=O)=O)n1,0,GDB ChEMBL
351289,CC1=CCC(C2(C)CCCC2)C1,0,GDB ChEMBL
359130,CNC(=O)C1(O)C(CO)OC1S(N)(=O)=O,0,GDB ChEMBL
182926,COC(=O)N1CCNS(=O)(=O)C1,1,GDB ChEMBL
287015,CCc1cccccc2c(cc1)C1CCC2C1,0,GDB ChEMBL
196487,N#CC12CC1C[NH2+]C2C(O)C(N)=O,0,GDB ChEMBL
27927,CNS(=O)(=O)CCOC(=N)C1CC1,1,GDB ChEMBL
238586,CC(O)CC(CC1(O)CNC(=O)OC1)NC=O,0,GDB ChEMBL
271622,Cc1cc(Cl)cc(-c2cncc(NC=O)c2)c1,1,GDB ChEMBL
140781,NC(=[NH2+])C1C(O)C2COCC1(C(=O)[O-])O2,0,GDB ChEMBL
300972,O=C1CC(COC(=O)NC2CC=CC2)N1,1,GDB ChEMBL
321421,CCCCOCC1(CC)CC1(O)CC,1,GDB ChEMBL
39719,CC1CCOCC2CC2C2CCCCC1C2,0,GDB ChEMBL
363027,C[NH+]1CCCC(C)(O)C1C1CC1,0,GDB ChEMBL
18362,C#CC1C(C)C2CCCCC1(C)CC(CC)C2,0,GDB ChEMBL
382531,N=C1NC(CO)C(=O)NCCO1,1,GDB ChEMBL
38557,CCNC12C[NH2+]C(C)C1CCNC(=O)C2,0,GDB ChEMBL
272515,C=C(CC(C)COCC)C(C)CC,1,GDB ChEMBL
292547,CCCn1nc(C(=N)N(C)C(=O)NC)cc1N,1,GDB ChEMBL
235989,CC1CCCC(C(C)(C)C)C2(C)CCCC2C1,0,GDB ChEMBL
311662,CNC(=O)CC1(OC(N)=O)OCCC1CO,0,GDB ChEMBL
5248,Cc1sc(C2(C)CCOCC2)nc1C[NH3+],0,GDB ChEMBL
243374,Cc1c(Br)cc(Br)c(C)c1CCC1CC1,1,GDB ChEMBL
69577,CC1=CC2C[NH2+]C(C)(C)CCC2C1,0,GDB ChEMBL
174285,CCOC(=O)CC1([NH3+])CC1,1,GDB ChEMBL
66755,CC(O)C1C(=O)C2CC2[NH2+]C1C,0,GDB ChEMBL
29756,CC(=O)C1(CC(=O)[O-])CC=CC(N)=[NH+]C1,0,GDB ChEMBL
156018,C[NH2+]Cc1c(NCC(=O)[O-])oc([O-])c1[N+](=O)[O-],0,GDB ChEMBL
290283,CCC12CC(C1)c1c[nH]c(=O)cc1O2,1,GDB ChEMBL
277785,CC1=CCC2C=CCCCCCC1C2,0,GDB ChEMBL
319182,N=C1OCC12COC(=O)NCCCC2=NO,0,GDB ChEMBL
301475,COC1CC2CC1(C[NH3+])NCC2[NH+](C)C,0,GDB ChEMBL
71291,Oc1nccc(COC2CCCC2)c1Cl,1,GDB ChEMBL
228489,CCOCC(O)CC1CCC(OC(C)C)O1,1,GDB ChEMBL
16020,Cc1ncnc(O)ccc(CO)nc1N,0,GDB ChEMBL
73296,C#CCC(CC(C)(C)C)C1CC1C,0,GDB ChEMBL
47540,CC1C[NH+](C)CC(N)(C[NH2+]C2CC2)C1(C)C,0,GDB ChEMBL
135844,COc1c(O)n[nH]c1NC(=O)C[NH3+],0,GDB ChEMBL
362632,CC(=O)Nc1nnc2nc(C)c(N)cn12,1,GDB ChEMBL
93470,CC1=CC2OC(CC1)CC2CC[NH3+],0,GDB ChEMBL
318022,[NH2+]=CNCc1cncc(Br)c1,0,GDB ChEMBL
132725,[NH2+]=C1NC2(CO)CCC[NH2+]CC2CN1CC[NH3+],0,GDB ChEMBL
230694,N#Cc1cnccc2occc2ncc1N,0,GDB ChEMBL
354461,CC(=O)NC(=NC(C)C)C(C)(O)C[NH3+],0,GDB ChEMBL
69631,C[NH2+]CC(OC)C(=O)NCC#N,1,GDB ChEMBL
61957,C#CCC1CC(C)=CC1CC(C)[NH3+],0,GDB ChEMBL
207342,C#CCCCC(C(=O)CCC)(C(C)C)C(C)C,0,GDB ChEMBL
341866,CC1(C)Cc2cnc(O)cc2N2CCCC2C1,0,GDB ChEMBL
58959,CNc1cc(NC(=N)COC)c(Br)c[nH+]1,0,GDB ChEMBL
147581,CC[NH2+]C1CCCC(CO)CNC1,0,GDB ChEMBL
13805,C[NH+]1C2CC3CC1C1C3C12,0,GDB ChEMBL
309141,CCC1(C(C)C)CCCC(C)C(C)C1,1,GDB ChEMBL
69605,CCC1C(O)C1OC(=O)NCC#N,1,GDB ChEMBL
397070,CCc1cc(OC(C)CCCC(C)=O)c[nH]1,1,GDB ChEMBL
252847,CC1(C)C2CC3CC[NH+](C2)C1C[NH2+]3,0,GDB ChEMBL
22018,Clc1cnc2cccc3c2c1NC3,1,GDB ChEMBL
277800,C#CCC1C[NH+](C(C)C)CCCC1(C#N)OC,0,GDB ChEMBL
255097,CC1=CC(C)(C2CC2)[NH2+]CC1,0,GDB ChEMBL
9947,CN1CCCC(CC#N)OCOC(C#N)C1=O,0,GDB ChEMBL
190266,CC(C)(CO)OC(C[NH2+]CCO)c1cc[nH]c1,0,GDB ChEMBL
100991,CCOC(CO)COCC#N,1,GDB ChEMBL
273691,CCC12CC(O)CC1C2C[NH2+]C,0,GDB ChEMBL
358504,Nc1nsc(NCCCCO)n1,1,GDB ChEMBL
269311,[NH2+]=C1CC(C(O)CC[NH3+])CN1,0,GDB ChEMBL
266244,CC(C)(C)C1CCCC2CC=CC2C1,0,GDB ChEMBL
94624,C#CC1CCCCC(CC)CC(C)CC(C)C1,0,GDB ChEMBL
315188,CCC1(O)CCC(C#N)C(C)(O)C1NC(N)=O,0,GDB ChEMBL
108134,CNC(=O)COCC1([NH3+])CCC2COCC1C2,0,GDB ChEMBL
350934,C#CC(C)OC1CCCC1C,1,GDB ChEMBL
390466,CC[NH+]1CCCC(C2=CC=CCCC2)C1C,0,GDB ChEMBL
191269,CC1=CC23Cc4cc(Br)c(C)cc4C2C3C1,0,GDB ChEMBL
334481,CC(C)CC(C)CC(C)(C)C[NH3+],0,GDB ChEMBL
207409,CC1(C(=O)[O-])C2CC([NH3+])CC([NH3+])(CN2)C1O,0,GDB ChEMBL
2392,CCC(=O)C(=O)C(=O)OC(C)CNC(C)=O,1,GDB ChEMBL
229430,CC12[NH2+]C(CC1NS(C)(=O)=O)C(O)C2C(N)=O,0,GDB ChEMBL
217668,C=C(C)CC1(NC2C[NH2+]C2)COC1,0,GDB ChEMBL
163411,C#Cc1c(Cl)c(C)cc(CC)c1Cl,1,GDB ChEMBL
377807,C#CC(C=O)(CC)C(C)c1cc(C)cc(I)c1,0,GDB ChEMBL
354616,CCn1c(O)c(NCC(=O)[O-])c(C=O)c1OC,0,GDB ChEMBL
2366,CCOC(CO)C1CC(C)(C)C1,1,GDB ChEMBL
311329,Cc1cn(C(C)C)c2c1C(=O)C1(CC1)C2,1,GDB ChEMBL
337392,Cc1cc2n(n1)CC1CC[NH+](C)C21,0,GDB ChEMBL
261340,C#CCC1(CC#N)C[NH2+]Cc2ccc(F)cc21,0,GDB ChEMBL
201475,CCOC(C)C1(C(N)=[NH2+])CC1[NH3+],0,GDB ChEMBL
307949,C#CC(=O)Oc1ncc(NCCC)c(F)c1N,1,GDB ChEMBL
186627,CCC#CC1(c2c(C)cc(Br)cc2C)CC1,1,GDB ChEMBL
220137,CN(C(=O)C(=O)[O-])C1=NCC(O)CC1[NH3+],0,GDB ChEMBL
236593,Cc1cc(C(=O)[O-])c(N)o1,0,GDB ChEMBL
296271,O=C([O-])C1(CCCCO)CC1,0,GDB ChEMBL
134812,CCCC1CC2CC2CC1C,1,GDB ChEMBL
121970,CN1CCCCC(O)(C=O)C(O)CC1=O,0,GDB ChEMBL
103546,CC1c2ccc(F)cc2C(C)C1[NH+](C)C,0,GDB ChEMBL
1954,Cc1c(CC2CCO2)ccn1C,1,GDB ChEMBL
222823,C#CCC(CC=C)C1OCCCO1,1,GDB ChEMBL
6109,CCC(OCCO)C(C)C1CN(CC#N)C1,1,GDB ChEMBL
26013,CC1C([NH3+])CN1c1ccc(O)cc1N,0,GDB ChEMBL
227752,O=C([O-])C1[NH2+]C2CNC2C1CO,0,GDB ChEMBL
314172,Cc1cc2cc(c(C)c(C)ccn1)C=CC2,0,GDB ChEMBL
319798,CCCC1(C)CCCCC(C)C([NH3+])C[NH2+]1,0,GDB ChEMBL
28158,CC(O)CC1CC=CC(C(C)(C)C)C1C,0,GDB ChEMBL
229467,Nc1ncnc2c1OCC(=O)C2,1,GDB ChEMBL
156162,COCCC([NH3+])(CC(N)C[NH3+])CC([NH3+])C(C)O,0,GDB ChEMBL
374049,CCOC1CC2[NH2+]CC1(C)CC2C,0,GDB ChEMBL
337974,COC(CO)c1cc(=O)[nH]c(CC(=O)[O-])n1,1,GDB ChEMBL
182494,[NH2+]=C1NCCC(=O)OC2CCC(=NO)C2N1,0,GDB ChEMBL
330329,CCCOc1cscnc(C=O)c(N)cn1,0,GDB ChEMBL
320487,CC[NH+]1CC2C=CC(C)(C#N)C(C2)C1,0,GDB ChEMBL
44599,C#Cc1nccc2cc(F)cnc12,1,GDB ChEMBL
197215,[NH3+]CC1CC1c1ccc[nH]1,0,GDB ChEMBL
117367,CC1C2CC(C)(C(CN)[NH2+]2)C1O,0,GDB ChEMBL
349513,CC([NH3+])COC(=O)Cc1cncnc1[N+](=O)[O-],0,GDB ChEMBL
316461,CC(C)(C)C1CC2CCC2C1,1,GDB ChEMBL
165660,CCC([NH3+])C1(C)OC(CS(N)(=O)=O)C(O)C1O,0,GDB ChEMBL
74331,CCCC12CCC1OCCCC2CC,0,GDB ChEMBL
369278,CCCC(C#N)C1C(C)OC1C,1,GDB ChEMBL
365771,NC(=[NH2+])NCCC1CC(O)C1O,0,GDB ChEMBL
268120,C#CC[NH+]1CC2CCC1(C)C2,0,GDB ChEMBL
190126,CCCC[NH+](CCC)C(C)CO,1,GDB ChEMBL
112882,CC(=O)N(CCOC(C)(C)CO)C(=N)CO,1,GDB ChEMBL
116039,C[NH2+]CCC(N)c1coc(=O)nc1N,0,GDB ChEMBL
222836,COCC(O)C(C)C([NH3+])CC(O)C(C)C,0,GDB ChEMBL
120562,Cc1ccnc2cc(C)c(C)cc2cco1,0,GDB ChEMBL
185908,C#Cc1c(F)c(F)cc2cc(CCCC)oc12,1,GDB ChEMBL
9773,C[NH+]1CC2CCC3(CCO2)CC13,0,GDB ChEMBL
322893,CC(=O)COc1ccn(CCNC(N)=O)n1,1,GDB ChEMBL
396070,CCC1CCCC2C3CCCC(CC3)C2C1,0,GDB ChEMBL
80236,[NH3+]CCNC(=O)c1cncs1,0,GDB ChEMBL
102311,CCCC1OC2=[NH+]CCC(C)CC1CN2C,0,GDB ChEMBL
157463,COCC#CCC1CN1,1,GDB ChEMBL
191381,CC#CC(C)(O)Cc1ccc(N)cc1C,1,GDB ChEMBL
344261,C#CCC(O)C1CC[NH+]1C,0,GDB ChEMBL
317960,CCC(C)CC(C)(C)C1CCC2(CC2)C1,0,GDB ChEMBL
29785,CC1CC(C(O)CO)OC(C[NH3+])C1[NH3+],0,GDB ChEMBL
74327,NC(=O)Oc1c(OCCC[NH3+])cn[nH]c1=O,0,GDB ChEMBL
304174,N#CCC(N)C([NH+]=CN)C(N)=O,0,GDB ChEMBL
216148,CC(=O)C(CO)OCC1CC(NC=O)C1,1,GDB ChEMBL
252351,CCN1C(=O)C23OC2C2CC1C3O2,0,GDB ChEMBL
115023,C[NH2+]CC1OCC=CC2CC21C,0,GDB ChEMBL
44338,COc1cc(C)ccn(C)c(C)c(N)c1OC,0,GDB ChEMBL
288441,CCC([NH3+])CC1CC12COC2,0,GDB ChEMBL
225196,[NH3+]CC1C(O)C1OC(=O)C1CCS(=O)(=O)N1,0,GDB ChEMBL
201144,CC1CCC2CCC3CC2[NH+]1C3,0,GDB ChEMBL
157047,C#CC(CC)c1cccc(C)c1C#CC,1,GDB ChEMBL
112509,CC(=O)C1C2CCC1(C)C(O)(CO)C2,0,GDB ChEMBL
269210,C=CC1CC2CC[NH2+]C(CO1)C2C,0,GDB ChEMBL
341139,CN1CCC2(C=O)C(CC(=O)[O-])C2S1(=O)=O,0,GDB ChEMBL
248664,CCCC1C=CC2CC=CCC2(C)C1CC,0,GDB ChEMBL
121129,[NH3+]CC1CC=CC2C(O)CC([NH3+])C12,0,GDB ChEMBL
271330,O=Cc1sc2ncnn2c1OCCCCO,1,GDB ChEMBL
299703,CCCC1CC2CC=CCC2CC1C,0,GDB ChEMBL
190236,Nc1[nH+]ccc2[nH]c3c(c12)C[NH2+]C3,0,GDB ChEMBL
61293,CC(C)C(=O)COC(=O)NCCCC(=O)[O-],1,GDB ChEMBL
230742,CC1C[NH2+]C2CC3C1CCC3(O)C2,0,GDB ChEMBL
252876,CC[NH2+]C(CO)C(=O)C1CCC2CC1(C)CO2,0,GDB ChEMBL
38562,O=C1NC2C3OCC1CNS(=O)(=O)C23,0,GDB ChEMBL
199426,C#CC(C1CC=CC1)C1CCCCOC1C,0,GDB ChEMBL
384358,C#CC(C)C(COCC)OC,1,GDB ChEMBL
385983,CC#CCC1[NH2+]CC12CCC(=O)CC2,0,GDB ChEMBL
153757,CC(=O)c1c(F)cc(O)nc1O,1,GDB ChEMBL
155121,[NH3+]C1CC2CCCC(C[NH2+]C2)C(O)C1,0,GDB ChEMBL
318740,CC(=NO)C(=O)N1C(CO)C1CNC(N)=[NH2+],0,GDB ChEMBL
385480,COCC#Cc1ccnc(C(C)C)c1C,1,GDB ChEMBL
189739,CCc1cc(C(C)CC)c(C)[nH]1,1,GDB ChEMBL
185309,N#CC(C[NH3+])Cn1ncnn1,0,GDB ChEMBL
7763,C#CCCOC(C[NH+](C)C)c1[nH]cnc1C,0,GDB ChEMBL
144621,CC[NH2+]C1CC2C3C=CC2C1C3,0,GDB ChEMBL
114419,CC(C)(C)Nc1nc(C(O)C[NH3+])c(N)s1,0,GDB ChEMBL
70108,CCCCC([NH2+]C)(C(C)CC#N)C(C)(C)O,0,GDB ChEMBL
317600,C[NH+]1CCC2(C)NC(=O)C3CCCC(CC12)O3,0,GDB ChEMBL
246992,NC(=O)OCC(CO)n1nc(N)nc1O,0,GDB ChEMBL
385985,CC1NCC(O)CCC1=O,1,GDB ChEMBL
35720,CC(C)C1C([NH3+])C2CCCC2(C)C1C[NH3+],0,GDB ChEMBL
136044,CC1(CCS(N)(=O)=O)C(O)C1OC(N)=O,0,GDB ChEMBL
76685,CCCC=CC(=CC(F)(F)F)CO,0,GDB ChEMBL
338281,CCCC1(C)CC(CC)C(C)C(C(C)(C)C)C1,0,GDB ChEMBL
11731,N=C1CC(C[NH3+])(NC(=O)C2CC2)CO1,0,GDB ChEMBL
373999,COCc1cccc(C)c(C)scc1C(C)O,0,GDB ChEMBL
76507,COC1CCCC=CC1C1(C)CO1,1,GDB ChEMBL
71456,[NH3+]C1C2OC1C(C(=O)[O-])NC2CO,0,GDB ChEMBL
4737,N=C1OC(CC[NH3+])C(=O)NC1=O,0,GDB ChEMBL
8747,CC1OCC=C2CC[NH2+]C2C1C[NH3+],0,GDB ChEMBL
9956,C#CC(=O)C(CC)CCC(N)=O,1,GDB ChEMBL
367800,CCc1cc(N)c(N)c(CC)c1,1,GDB ChEMBL
374385,C#CC(=[NH2+])N(CC[NH2+]C)C(C)C(N)=O,0,GDB ChEMBL
221910,C[NH2+]CC1OC(=O)C2C(C(N)=O)OC1(C)C2[NH3+],0,GDB ChEMBL
309667,CCC(C[NH2+]C(C)(C)C)NC=O,0,GDB ChEMBL
156767,O=CC12CC1CCCOCCC[NH2+]2,0,GDB ChEMBL
259145,CCCc1cc(C)c(F)c(F)c1F,1,GDB ChEMBL
48214,N#CC(N)C(O)C([NH3+])CO,1,GDB ChEMBL
376035,COC1CCCCC2(C[NH3+])OCC12,0,GDB ChEMBL
384240,CCC(CO)C1CC1(C)C[NH3+],0,GDB ChEMBL
53043,C#CC1CC1(C(=O)[O-])C1(C)OCCO1,0,GDB ChEMBL
340549,CC1CC2CC1CC1C[NH2+]CCC12C,0,GDB ChEMBL
277761,CC(=O)NC(C=O)CC1(C)C[NH+]=C(N)N1C,0,GDB ChEMBL
254940,COC(C(C)C(=O)[O-])C1(C)[NH2+]C(C)CC1=O,0,GDB ChEMBL
391615,C#CCC[NH+](CCN)CCCC=C,0,GDB ChEMBL
30326,CNC(=O)CC1(OC)CCCC(C(N)=O)O1,1,GDB ChEMBL
216169,CC1(C)CC(=O)C(CCO)[NH2+]1,0,GDB ChEMBL
234920,C#CCN(CC(=O)CO)C(C)CC(C)C#N,1,GDB ChEMBL
296043,C#Cc1c(I)cccc1OC,1,GDB ChEMBL
76470,CCC1[NH2+]CC2CC1(N)C(OC)C2C,0,GDB ChEMBL
250593,C#CCC(C)C(CC)C(CC)CC,0,GDB ChEMBL
374329,CC1CC(=O)OCC2=CC(CC2O)C1=NO,0,GDB ChEMBL
184693,C#Cc1nc(Cl)cc(C)c1CCC(C)[NH3+],0,GDB ChEMBL
70932,CCC(C#N)C1COC1=O,1,GDB ChEMBL
303933,CNC(=O)NC(C(C)O)C([NH3+])CO,0,GDB ChEMBL
163383,CC[NH+]1CC23CC1CC(C)C2C3,0,GDB ChEMBL
39972,C#CC(C#C)Cc1c(Cl)cccc1NC(C)=O,0,GDB ChEMBL
303877,C#CCC[NH2+]Cc1c(C)cc(CC)c(F)c1F,0,GDB ChEMBL
150127,N#CCC1NCCCOC(=O)C1O,1,GDB ChEMBL
10561,CC1CC2([NH3+])CCNC(=O)C1([NH3+])C(O)C2,0,GDB ChEMBL
294766,CC([NH3+])CC(O)C1OC1(C)C,0,GDB ChEMBL
134758,CC1=C(C)C(=O)OC(CC(=O)[O-])CC([NH3+])C1,0,GDB ChEMBL
356878,N#CC1=CC(O)C(C(=O)[O-])C1,1,GDB ChEMBL
197066,C#CC1OC(=O)CC1[NH+](C)C,1,GDB ChEMBL
378581,Cc1cc2c(cc1I)NC(C)CCCCN2,1,GDB ChEMBL
372709,NC(=[NH2+])NC(=[NH2+])C1(CO)CC([NH3+])C(C(=O)[O-])C1,0,GDB ChEMBL
132319,CCCC1(C)CCC=CC1O,1,GDB ChEMBL
85705,CCC1(CCC2=CCCCC2C)CC1,1,GDB ChEMBL
348883,COC1CNC(=O)C(C)(O)C1C1CN1C,0,GDB ChEMBL
267372,Cc1cc(I)c2c(c1NC1CC1)COC2,1,GDB ChEMBL
3788,Cc1c(I)cc(NC(=O)CO)c2ncn(C)c12,1,GDB ChEMBL
33317,COC(=O)C(O)C([NH3+])Cc1c(OC)noc1N,0,GDB ChEMBL
80323,C[NH+]1CC(CNCC#N)(COC=O)C1,1,GDB ChEMBL
60927,CCOCC(C)(C[NH3+])C12CCC(OC1=O)C2O,0,GDB ChEMBL
246965,O=C1NCC(=O)C(C(=N[O-])c2nccs2)N1,0,GDB ChEMBL
26578,C[NH2+]C1CC(O)C2(C)C(=O)OC(CC2C)C1O,0,GDB ChEMBL
109614,[NH3+]CC1CC2CC2C1C1CCCO1,0,GDB ChEMBL
322870,C#CC1(N)CC2(OC)C[NH+](CC)C1C2(C)CO,0,GDB ChEMBL
185996,C[NH+](C)CC1CCNC1=O,0,GDB ChEMBL
4982,Cc1c(O)ccc(C(O)C=O)c1F,1,GDB ChEMBL
65926,CCCN1C(=[NH2+])CC(C)CC([NH3+])C1CCOC,0,GDB ChEMBL
166467,Cc1cc2n(c1C)CCC2C,1,GDB ChEMBL
194469,Cc1c(Cl)cccc1C1CC2CC1(C)C2,1,GDB ChEMBL
22004,CN(C=O)S(=O)(=O)OCC(=O)NCCO,0,GDB ChEMBL
31755,COCC1C(C)C2CC2N(C=O)C(C)C1O,0,GDB ChEMBL
136462,CC1CC2C(C)OCC1C21CC1,1,GDB ChEMBL
353268,CCC(=O)C12CC(C)(C)CC1CC[NH2+]CC2O,0,GDB ChEMBL
395906,C[NH2+]CCC(O)C1([NH3+])C2CC(C)C1N2,0,GDB ChEMBL
53046,NC(=O)C1C(O)C2OC1C1CC2CC(=[NH2+])N1,0,GDB ChEMBL
390525,CC1C[NH2+]CC2C(CCC2(C)C)C(=O)C1,0,GDB ChEMBL
61834,CC1OC(N)=NC2COC(C2O)C1O,0,GDB ChEMBL
300737,C[NH+]1CC2CC(O)C3OC2CC31,0,GDB ChEMBL
317322,CCC1([NH2+]C)C=Cc2c(C)cc(Cl)cc21,0,GDB ChEMBL
30365,C[NH2+]C1CNC(C(N)=O)C1(O)C[NH3+],0,GDB ChEMBL
62808,CCCC1CC2C(C)CCC[NH2+]C2C1(C)C,0,GDB ChEMBL
324047,CC(C)=C1C(C)CC(C)C1CC[NH3+],0,GDB ChEMBL
362600,CCC12C(C(C)C)C([NH2+]C)CN1C2CO,0,GDB ChEMBL
223516,NC(=[NH2+])NCCC1C[NH+]2CC12,0,GDB ChEMBL
166420,Nc1[nH+][n-]c(=[NH2+])n1CC(=O)NCC[NH3+],0,GDB ChEMBL
215485,Cc1ccc2cc1C#CCCCC([NH3+])C2,0,GDB ChEMBL
87061,CC1(C[NH3+])CCCCC(C(N)=[NH2+])C1O,0,GDB ChEMBL
319176,CCC12CCCC(C(C)C)COC1CC[NH+]2C,0,GDB ChEMBL
188137,CCCCNc1cc(Br)c(COC)c(=NC)s1,0,GDB ChEMBL
288961,CN(C)C(=O)c1c(C[NH3+])cc(=N)sc1Br,0,GDB ChEMBL
53706,C#CCCCC1CC2(C)CCC(C)C1C2(C)C,0,GDB ChEMBL
170120,NC(C(=O)[O-])C1C[NH2+]C2CC1(O)C2O,0,GDB ChEMBL
48096,CC(C)(O)C1CCCCO1,1,GDB ChEMBL
205794,COC1COC(=O)C1(O)CCCO,1,GDB ChEMBL
258691,CCCC1(C)CC(C)=CC1(C)C(F)(F)F,0,GDB ChEMBL
150101,CCOC1C(O)C(=O)N2CC12,1,GDB ChEMBL
44582,CCC(CC([NH3+])C1CC1)OCC(C)C,0,GDB ChEMBL
117375,C#CC(CC(C)=O)CC(=O)[O-],0,GDB ChEMBL
295912,CCN1CC2COCCC(N2)C1=O,1,GDB ChEMBL
366743,CCCC1CC(C)(CC#N)C(C)(C)C1C,0,GDB ChEMBL
234919,CCc1cc(C(C)(O)CC[NH2+]C(C)C)no1,0,GDB ChEMBL
195316,CCC1CCC2CCNC(=O)C23C(N)C[NH+]13,0,GDB ChEMBL
334024,CC1(c2ccc(C3CCCC3)cc2)CCC1,1,GDB ChEMBL
104925,CCN(C=O)C(N)=O,1,GDB ChEMBL
39782,COc1ccscnc(=O)n(C)c1,0,GDB ChEMBL
358213,COC(=O)C(O)(C#N)C(C)OC,0,GDB ChEMBL
34323,CC#CC1(C(CC)CC)COC1,0,GDB ChEMBL
180857,CCc1c(O)c(Br)cc(Br)c1O,1,GDB ChEMBL
156082,CCOc1c(O)c(Cl)cc2ncn(C)c(=O)c12,1,GDB ChEMBL
320464,O=C([O-])C1[NH2+]C2C3C(CO)NC1C23,0,GDB ChEMBL
120729,CC(C)C1(CO)CC(c2c[nH]cn2)C1,0,GDB ChEMBL
97169,C[NH+]1CC(O)C2CC(C1)C1CC21,0,GDB ChEMBL
184080,NC(=NC1C[NH2+]C1)c1c[nH]nc1C(=O)[O-],0,GDB ChEMBL
51397,COCCC1[NH+]=C(N)C2C(C)[NH2+]CC(CO)C12,0,GDB ChEMBL
277411,C#CCC1C(=O)OC2(C)CC1C([NH3+])C2O,0,GDB ChEMBL
243342,C#CC1(O)CC(C(C)O)[NH2+]CC1N,0,GDB ChEMBL
161767,NC(=O)C([NH3+])C1C2CC(CO2)C1CO,0,GDB ChEMBL
358414,C[NH2+]CCc1ncncc1Cl,0,GDB ChEMBL
120678,CNc1c(C)c(OC)nc(=[NH2+])n1CC1CC1,0,GDB ChEMBL
301440,CC(O)C1OC1(COC(N)=O)C(O)C(=O)[O-],0,GDB ChEMBL
160327,C[NH2+]C(CN)(C(=O)[O-])C(O)CO,0,GDB ChEMBL
202852,CCC(CC)CC#CCOC(C)(C)C,1,GDB ChEMBL
366766,CNC(N)=[NH+]C(CO)C(CC(O)C(C)O)NC,0,GDB ChEMBL
304062,CC1CC2CC2CCC2CC[NH+](C2)C(C)C1,0,GDB ChEMBL
305317,O=C1OCC2CC(O)C3CN3C12,0,GDB ChEMBL
66631,COC1CN(C(C)C2C(=O)CC2C)C1,1,GDB ChEMBL
156080,C[NH2+]CC([NH3+])CC1(C)OC(=O)C2(C[NH3+])OC12,0,GDB ChEMBL
325906,Cc1nc2c(n1C)OC(C(C)C)CC2,1,GDB ChEMBL
205746,C#Cc1csc(CCC)c1C(C)(C)C,1,GDB ChEMBL
391438,CCCCC=CCC=CC#CC[NH3+],0,GDB ChEMBL
288539,N#CC(OCC(=O)[O-])C(=N)NC(N)=[NH2+],0,GDB ChEMBL
151700,CC(=O)NC1C2C3CC3(C#N)C1C[NH+]2C,0,GDB ChEMBL
35425,C#CC[NH+](C)CC1CCC2(CC2)C1(C)C,0,GDB ChEMBL
349959,N#CC1(n2nc(N)nc2NC(N)=O)CC1,1,GDB ChEMBL
382559,CCC1(C(O)C(=O)[O-])C(O)C1NS(C)(=O)=O,0,GDB ChEMBL
258733,C[NH2+]C1CC2C3CC([NH2+]CCO3)C2(O)CC1N,0,GDB ChEMBL
135852,C#CC(CC)CC(CCOC)OCC,0,GDB ChEMBL
360961,CCC1=C(NC(C)=O)COCC1[NH3+],0,GDB ChEMBL
328968,Nc1nc(F)cc(CCO)c1F,1,GDB ChEMBL
84911,CC([NH2+]CCN)C(O)CCOCC(N)=O,0,GDB ChEMBL
365691,Clc1cc(Cl)c2nccc3c2c1C=CO3,1,GDB ChEMBL
76449,C#Cc1cnc(CC#N)n1C,1,GDB ChEMBL
354821,NC(=[NH2+])c1cc(N)c(C2C=CCC2)c(Br)c1,0,GDB ChEMBL
46022,CC(C)(O)CC1=CCCN2C(=O)CCC12,0,GDB ChEMBL
339938,COC1(C(=O)[O-])CC1([NH3+])c1nc(C)cs1,1,GDB ChEMBL
20527,COC1OC2COC(=O)CC1C2,1,GDB ChEMBL
79257,CCOC(C(N)=O)C(O)C(CO)NC(N)=[NH2+],0,GDB ChEMBL
248880,CCCC(C)CC1CCC#CCCCC[NH2+]1,0,GDB ChEMBL
116371,CNc1cncnc(=O)c1,0,GDB ChEMBL
66165,CC[NH+]1CC(C)(C[NH3+])CC1C(C)C,0,GDB ChEMBL
50965,CCOC(CO)(CO)COC,1,GDB ChEMBL
39817,CC(O)C1C(=O)NCC12NC2C[NH3+],0,GDB ChEMBL
355127,CCC1C=C(C)C(C(C)(C)O)CC1,0,GDB ChEMBL
208454,CCCC[NH2+]CC1CC1C=O,0,GDB ChEMBL
44574,CC1CCCC2CCC(C)C2(C)CCCC1C,0,GDB ChEMBL
338140,Nc1ccc(O)ncnccc1C1CC[NH2+]C1,0,GDB ChEMBL
305484,O=C([O-])CN1CC2[NH2+]C3C2C31,0,GDB ChEMBL
304624,CCOCC1(O)C([NH3+])CC(C)C1(CO)C(=O)[O-],0,GDB ChEMBL
4869,C#CCC1CCc2c(cnc(CC)c2NC)C1,0,GDB ChEMBL
243795,N=C1NCC2NC(=O)C(O)C2N1C=O,0,GDB ChEMBL
252709,CCCCC1C(C)CC(C)(C)C(C)CC1CC,0,GDB ChEMBL
33246,C#CCc1cc(F)cc(C(C)C(C#C)CC)c1,0,GDB ChEMBL
27943,CCC(C)[NH2+]Cc1oc(C)c2ccc(Cl)cc12,0,GDB ChEMBL
29019,CCc1c(I)nc2c(ccn2C)c1COC,1,GDB ChEMBL
33175,NC(=[NH2+])NCC(c1c[nH]cn1)N1CC1CO,0,GDB ChEMBL
70131,CCC(C)CC([NH3+])C(=NC)OC,0,GDB ChEMBL
348706,CNc1cc(CO)c(CC#N)c(C(C)=O)c1F,1,GDB ChEMBL
300485,CC1COC(C(N)(C#N)CO)C(O)C1,0,GDB ChEMBL
242676,CCN1CC(CC)(C(F)(F)F)C1,0,GDB ChEMBL
184292,OCC1OCC2CCC3C1N3C2,0,GDB ChEMBL
296647,CNC(=O)C(C(=O)[O-])C1CO1,1,GDB ChEMBL
323366,CCC(OC)C1CC1(C)CC(C)([NH3+])C[NH2+]C,0,GDB ChEMBL
99129,CC12C(O)C3CNC(=O)C1N2C3,0,GDB ChEMBL
391317,CNC(=O)NC(=O)C(=O)c1ccno1,1,GDB ChEMBL
361000,CCCc1c(I)c(CC[NH3+])c(C)c2sccc12,0,GDB ChEMBL
263494,CC1CC2C(O)CNC(=O)COC1(C=O)C2O,0,GDB ChEMBL
66616,COCCNC(=O)C1(C)CC(=O)O1,1,GDB ChEMBL
50316,CCC[NH2+]C(C)CC(C)C1CC(C)(C)C1,0,GDB ChEMBL
332453,CN1C(=O)C([NH3+])CC1C(N)=O,1,GDB ChEMBL
354743,CCC(OC)C1C[NH2+]CC2C(=O)CCCC2C1,0,GDB ChEMBL
358519,[NH3+]CC1NC2COC2C1C(=O)[O-],0,GDB ChEMBL
164636,CC(CC(C(=O)[O-])C([NH3+])CN)OC=N,0,GDB ChEMBL
304089,CCC1CCC(C(N)=O)=CCO1,0,GDB ChEMBL
343937,CCc1ccc(CC(C)C)c(C(C)(C)C)c1O,1,GDB ChEMBL
76397,CCC1(C(C)CCO)COC(=O)CN1,0,GDB ChEMBL
350695,N#CC1C2COC1C(O)C2NC(N)=[NH2+],0,GDB ChEMBL
223535,CCC1CC2C3CC2[NH+]1CC(=O)O3,0,GDB ChEMBL
298245,COC1C[NH+](C)C(C=O)C2C=CCCC1C2,0,GDB ChEMBL
68670,Cc1c(C=O)nn(C)c1NC(=O)N(C)C(=N)N,1,GDB ChEMBL
17559,Cn1ncc2c1C(=[NH2+])N(C=N)CCCCC2,0,GDB ChEMBL
23921,C#CC(OC)C(O)(CC)CC(C#CC)[NH2+]C,0,GDB ChEMBL
129409,FC(F)(F)C1C=CCC=CCCCC=CC1,1,GDB ChEMBL
230496,C#Cc1ccc2c(c1)C1C(CC)=CCC1C2,0,GDB ChEMBL
165224,NC(=[NH2+])CS(=O)(=O)NCCC(O)C[NH3+],0,GDB ChEMBL
207335,COC1C(C[NH3+])C1Nc1cc[nH]n1,0,GDB ChEMBL
141800,CC([NH3+])C(O)CN(C)C(N)=[NH+]CCO,0,GDB ChEMBL
58474,CC(C)CC1C2CCCCCCC1(C)CC2C,0,GDB ChEMBL
383690,COC1C=C(C)C=CCC1C,1,GDB ChEMBL
148799,CC1C[NH2+]CCC(C)OC2(C)CC2C(O)C1,0,GDB ChEMBL
382997,C#Cc1cc(F)nc(OC)c1,1,GDB ChEMBL
379406,N#CC(CC[NH3+])C1(N)CS(=O)(=O)NC1C(N)=O,0,GDB ChEMBL
372201,C=C1CCC(C)OC(=N)C1CCO,1,GDB ChEMBL
77341,COC(=O)C1C=C(C)C2(C)C1C2(C)C,1,GDB ChEMBL
337389,C#CC1OC2(C)CCCC1NC(C[NH3+])C2,0,GDB ChEMBL
134801,CC1=CC(C)C2C(C)C(C)CCC12C,0,GDB ChEMBL
129452,CN=c1ccc(C(N)=O)cn1CC#N,1,GDB ChEMBL
116015,CCC1C2CC(C)(CC(C)C2[NH+](C)C)C1C,0,GDB ChEMBL
67832,CCCC1CCOCC(CC)C2CCC=C12,0,GDB ChEMBL
171908,COCC(=O)OC(C=O)c1nc(C)no1,1,GDB ChEMBL
277651,CCc1ccc(Br)c(Br)c1CC(C)=NO,1,GDB ChEMBL
372781,C[NH2+]C1CC2CC1(C)OC2=O,0,GDB ChEMBL
380293,C[NH+]1CCC=CC1(CCCO)C(=O)C1CC1,0,GDB ChEMBL
151778,CC#CC(C#N)NC(N)=O,1,GDB ChEMBL
126395,CC(NC(N)=O)C(O)(C[NH3+])C(CO)NC=O,0,GDB ChEMBL
382959,CC1OCOCC1(CCC=O)C(O)C[NH+](C)C,0,GDB ChEMBL
208273,COC(C[NH3+])(C1=NCCO1)C1OC(=O)[N-]C1=O,0,GDB ChEMBL
47802,C[NH2+]C1CCN(C2CN(c3ccno3)C2)C1,0,GDB ChEMBL
280657,[NH3+]C1C(=O)NCC2CC13NC3C2O,0,GDB ChEMBL
323336,CC(=O)n1ccc2[nH]cnc21,1,GDB ChEMBL
151807,CCC1CC2C(C)C=CC([NH3+])CC2(C)C1,0,GDB ChEMBL
127531,CCCCC1CC2CCC(C(C)C)(CC2)C1C,0,GDB ChEMBL
176485,NC(C[NH3+])C(N)C(O)C1NC(=O)CC1O,0,GDB ChEMBL
112030,CC12C=C(c3ccccc3)C(C1)C2,1,GDB ChEMBL
246941,CCCc1cc(I)ccc1CC[NH+](CC)CC,0,GDB ChEMBL
214402,C[NH2+]C1CC1C(C(=O)[O-])C(N)C#N,0,GDB ChEMBL
203153,CC1C(C)C2OC2(C)C(C[NH3+])C1CCO,0,GDB ChEMBL
22834,C#CC1(CCC)CCC(CCC2CC2)CC1,1,GDB ChEMBL
15570,CCOc1c(N)cccc1S(=O)(=O)[O-],0,GDB ChEMBL
144624,CC1CC2=CCC1CCCOC2,0,GDB ChEMBL
323344,CC1=CCC2CC(=O)OCC1C2,1,GDB ChEMBL
336014,[NH3+]CC1C(O)C2C3N1C(=O)CC23O,0,GDB ChEMBL
177298,C#CC(c1cc(Br)cc(Br)c1)C1CCC1,1,GDB ChEMBL
34349,Cc1cc(C)c2c(n1)C[NH2+]C(C)(CCO)C2,0,GDB ChEMBL
140281,NC(=O)C1NC(C=O)COC1=O,1,GDB ChEMBL
223282,COCC1C=C(C(=O)[O-])C(CN)[NH2+]1,0,GDB ChEMBL
244528,C#CC1CCCOC1(C)C(C)CCNC(N)=[NH2+],0,GDB ChEMBL
393505,CC(C1CCC1)N(C)C=O,1,GDB ChEMBL
203152,CC(O)C1CC1CCC=O,1,GDB ChEMBL
263277,CC1(O)CC2=CCC(=O)OCC2C1,0,GDB ChEMBL
89688,CCc1c(C)ccc2c1C=C(C=O)CC2C,1,GDB ChEMBL
179121,C[NH+]=CNc1cc2c(cc1Br)C(C)CCC2C,0,GDB ChEMBL
81575,Cc1[nH]nc(COC(=O)C(C)O)c1C=O,1,GDB ChEMBL
202856,CC1C=CC#Cc2ccc(Br)c(c2)NC1,1,GDB ChEMBL
124310,C#Cc1ccc(N2CC(C)C2C)c(C)c1Cl,1,GDB ChEMBL
197242,CCc1cccc2c1C(C)(O)CCC2,1,GDB ChEMBL
101930,C[NH2+]CC(C)(C)C(C)CCC1([NH3+])CCCC1,0,GDB ChEMBL
378621,CC1CC(C(=O)[O-])=CC2(C)CC[NH2+]C12,0,GDB ChEMBL
307961,CCC1(C(C)C)CCCCCCCCCCC1,1,GDB ChEMBL
330355,CC1C(C)N1CCCC#N,1,GDB ChEMBL
195264,CC=C(C#N)CCN(CC)C(C)=O,1,GDB ChEMBL
181359,COCC([NH3+])C1CCCCNC(=[NH2+])C=C1C,0,GDB ChEMBL
118129,CCC(CC)CC1CC=CCCCC12CC2,0,GDB ChEMBL
67586,CC#CC(C#CC)(CC1CC1)C(F)(F)F,0,GDB ChEMBL
318409,C#CC1C2CCCC1(C)CC(CC)C2COC,0,GDB ChEMBL
292284,CCc1cc(N)c(Br)c(C#CC(C)C)c1,1,GDB ChEMBL
195502,CCCC(=O)OC(COC)C(=O)[O-],1,GDB ChEMBL
19652,CCCCC1CC2CCC1C1C3CCC(C3)C21,0,GDB ChEMBL
255524,O=C1NCC(CO)(CO)O1,1,GDB ChEMBL
374220,CC1(C=O)CCC2COC(=[NH2+])NC1CNC2=O,0,GDB ChEMBL
26373,C[NH+](C)C1CC2(C)CCC(C[NH2+]2)C12CC2,0,GDB ChEMBL
61836,CN=C(N)NC(=O)CCN(CC=O)C(=[NH2+])NC,0,GDB ChEMBL
26060,C[NH2+]C(C)C(C(=N)NC(=O)CO)C(=O)[O-],1,GDB ChEMBL
396103,CC1CC(O)C2C(=O)OCC13CN23,0,GDB ChEMBL
27804,CCCCC1CC=CC1C1CC1CCCC,1,GDB ChEMBL
194479,CN=C(C=O)Nc1cc(C)c(O)cc1C[NH2+]C,0,GDB ChEMBL
280741,COCC1CC(O)C2=NCCCCC1(C)O2,0,GDB ChEMBL
152581,CN1C2CC(NC(N)=[NH2+])C1C(O)C(CO)C2=O,0,GDB ChEMBL
132858,Cc1ncnc2c1CCCCC2,1,GDB ChEMBL
391803,CC1CC=C(c2ccccc2CC2CC2)C1,1,GDB ChEMBL
143183,NC(=[NH2+])C1C2OC(=O)C1(N)CC2O,0,GDB ChEMBL
103907,CCCCC#CC=CCC(F)(F)F,1,GDB ChEMBL
206996,CC1CN(CCC(O)C[NH3+])CCCC[NH2+]1,0,GDB ChEMBL
324324,Nc1cc(OC(CO)C(=O)[O-])ncn1,0,GDB ChEMBL
91159,COC1C2C[NH2+]C(C1C)C(O)(CC#N)C2,0,GDB ChEMBL
255443,CCCOC1CC2C(=O)CCCC12O,0,GDB ChEMBL
271329,CCNC(C#N)(CN1CCC1)C(N)C(=O)[O-],0,GDB ChEMBL
217376,CCC1CC=CC2(CCC2)C1C(O)CO,0,GDB ChEMBL
302584,CC1=CCCCC(C)CC(C)CCC1C,0,GDB ChEMBL
304430,C#CC1C2CCCCCCC(CCC1(C)C)[NH2+]2,0,GDB ChEMBL
4992,C#CCCN=CN1CCOC1=O,1,GDB ChEMBL
285768,Cc1c(F)cc2c(C=O)c(F)cnc2c1C=O,1,GDB ChEMBL
347902,Cc1nc(N(C)CCCO)sc1CO,1,GDB ChEMBL
382070,C#Cc1nc(C(C)C)c(Cl)cc1NC,1,GDB ChEMBL
251056,CCC(C)c1c(C)c(O)cc(C)c1Cl,1,GDB ChEMBL
392739,COC1OC(=O)C2(O)CC1C(C)(C(=O)[O-])C2,0,GDB ChEMBL
44601,CCOC1CC=CC(O)C(=O)CC1O,0,GDB ChEMBL
149965,CC1CC2(CC2)c2ccc(Cl)c(Cl)c21,1,GDB ChEMBL
120392,CC(C(=O)[O-])C1CC(N)=[NH+]CCCC1[NH+](C)C,0,GDB ChEMBL
355159,CNC(=O)C(=N[O-])c1nc(N)nc(Cl)c1O,0,GDB ChEMBL
333884,C[NH+]1CC2CC1C1CC=C(C1)CC(C)(C)C2,0,GDB ChEMBL
173917,O=S1(=O)CCC2C(O)C2OCC=CCCN1,0,GDB ChEMBL
45964,Cc1c(N(CC[NH3+])C(C)C)[nH+]c(N)n1C,0,GDB ChEMBL
228860,Cc1cccsc(Cc2ccccc2)ccn1,0,GDB ChEMBL
277686,CCC(CC=O)C(O)C1CN1,0,GDB ChEMBL
350267,CCC1(C)CC2CC1(C)CCCC2C[NH3+],0,GDB ChEMBL
83480,C#CCCCCC(C)(C)c1ccc(C)c(F)c1,1,GDB ChEMBL
396771,CC12NC(=O)CC([NH3+])C1C2C([NH3+])C(=O)[O-],0,GDB ChEMBL
346523,CC1(NC(=O)C[NH3+])C2[NH2+]CCNC21CO,0,GDB ChEMBL
243343,C=CC(CC)(CC(C)C)C1CCC1,1,GDB ChEMBL
288602,CCC(C)C1CCCCC2(C)CC1CC2CC,0,GDB ChEMBL
197191,CC(=O)NCC1C(O)C2C(CO)N2S1(=O)=O,0,GDB ChEMBL
300698,CC(=N)NC(=O)c1nc(C(=O)[O-])nc(O)c1C,0,GDB ChEMBL
278145,C[NH2+]CCC([NH3+])C(C)OS(N)(=O)=O,0,GDB ChEMBL
204139,C[NH+]1CCC2CC2(C)C1C(O)C(N)C[NH3+],0,GDB ChEMBL
292283,CC(C(O)CO)C1CS(=O)(=O)[N-]C(=O)CO1,0,GDB ChEMBL
186688,Cc1cc2c(c(N3CC3)n1)CC(=[NH2+])N(C)C2,0,GDB ChEMBL
250561,CC1CC12CCC1CC[NH2+]C2C1,0,GDB ChEMBL
189816,CCC1CCC(C(N)C[NH3+])[NH2+]1,0,GDB ChEMBL
354871,CCN(C=O)CC1[NH2+]CC1C(N)=[NH2+],0,GDB ChEMBL
24291,CCOC(=N)CC(C)Cc1n[nH]c(=O)cc1C,1,GDB ChEMBL
103409,C[NH2+]C(CC(C)(C)C)C1=CCCCCC1,0,GDB ChEMBL
235979,Cc1cc(I)cc2c1CC(C)(C)C(=O)CCN2,1,GDB ChEMBL
149951,CC1CC(=O)C[NH2+]C(C)C1CCCO,0,GDB ChEMBL
53042,COCC(OC)C1CC12CN(C)S(=O)(=O)C2,0,GDB ChEMBL
89092,COC(=O)C=C1NC(=O)C2CC12[NH3+],0,GDB ChEMBL
132538,CC(C=O)[NH+](C)C1CC=CC1,0,GDB ChEMBL
184699,Nc1cc(CC=O)cc2ccccc2ncs1,0,GDB ChEMBL
332707,CC(O)C(=O)N1CC(=O)C1CCC(=O)[O-],0,GDB ChEMBL
66707,C#CC1([NH2+]CC)CN(CC)C1,0,GDB ChEMBL
313372,C#CC1[NH2+]CC2CCCC(CC)(CC)CC21,0,GDB ChEMBL
191316,N#CC1CC(C#N)C2CC1C1C3CCC(O3)C21,0,GDB ChEMBL
221660,CCC1[NH2+]CC=CCC1(C)CO,0,GDB ChEMBL
235170,NC(=O)C1OC2CC(O)C1CO2,0,GDB ChEMBL
8746,CC(O)C1CCNC2CC(COC1)OC2=O,0,GDB ChEMBL
149408,CCCCC(C)(CC#CC(N)=[NH2+])COC,0,GDB ChEMBL
47673,C=CC1CC(C)C2OCC(CC)C12,0,GDB ChEMBL
236636,N#CC1(C(N)=O)CC(O)C(O)CC(O)C1O,0,GDB ChEMBL
77789,CCC1NC(=O)C2OC(C)C1C2(C)CO,0,GDB ChEMBL
223265,CC1C(CO)CC2(C)CC12[NH2+]CC(=O)[O-],0,GDB ChEMBL
80225,CC#CC#CCc1ncc(Cl)cc1C=O,1,GDB ChEMBL
195275,CC(CC(=O)[O-])C1CNC(C)(C#N)CC(=O)N1,0,GDB ChEMBL
38155,CC(C)C(CC1CC1)C1=CCCCC1,1,GDB ChEMBL
38921,CCC1C[NH2+]CC(C)C(C)[NH2+]C1CC,0,GDB ChEMBL
157045,CC(=O)C1CCOCC(O)(CC(C)C)C1,0,GDB ChEMBL
325735,NC(=O)CC1(C[NH3+])C(O)C2COC1C2O,0,GDB ChEMBL
386414,O=CCCNC(=O)Oc1cnc(O)nc1,1,GDB ChEMBL
359064,C[NH2+]CCC12CCC(C(N)=O)C[NH+](C1)C2,0,GDB ChEMBL
70867,CCC(C)C(C)C1OC(CC#N)CC1[NH3+],0,GDB ChEMBL
227741,CCC1(C(C(C)=O)C(C)C)COC1,0,GDB ChEMBL
298257,CCC1(CC(O)C(=O)[O-])CNS(=O)(=O)O1,0,GDB ChEMBL
105989,CC1C2NS(=O)(=O)CC2C(O)C1C(N)=O,0,GDB ChEMBL
194291,CC(C)C1CC23C[NH+](C)C(C)C2C3C1C,0,GDB ChEMBL
22526,Cc1c(C2(C)CCCC2)cc2cc[nH]c2c1Br,1,GDB ChEMBL
353983,CC1=CC(C2(C)CCC(=O)C2)CCC1,0,GDB ChEMBL
156131,NC1=[NH+]C(CO)CC(=O)C2NS(=O)(=O)CC12,0,GDB ChEMBL
290150,C1=CC2CC(CC1)CCC1(CCC[NH2+]2)CC1,0,GDB ChEMBL
152638,O=C([O-])C(CC1=[NH+]CCCN1)C1CO1,0,GDB ChEMBL
277572,CN1C(C(=O)[O-])C(C[NH3+])OS1(=O)=O,1,GDB ChEMBL
64325,NC1=[NH+]CC(C2OC2CO)N1,0,GDB ChEMBL
2123,CCc1cc(=O)c2c(C)c(Br)ccc2cc1C,1,GDB ChEMBL
132288,C[NH+]1CCCCC[NH2+]CCCC(N)(CC[NH3+])C1,0,GDB ChEMBL
358937,NC(=O)CC1N2C(N)=[NH+]CC12C(O)CO,0,GDB ChEMBL
269387,C#Cc1cc(C(C)CC(C)C(C)C)ccc1Br,1,GDB ChEMBL
334023,CC1C2=NCC(C[NH3+])CNC(=O)C1CCO2,0,GDB ChEMBL
372559,C#Cc1cccnc1CC1(C[NH3+])CN1,0,GDB ChEMBL
334100,COC1Cc2cc(O)cnc2C12OCC(C)O2,0,GDB ChEMBL
146055,CC(O)C1(CNC(N)=[NH2+])CC1,0,GDB ChEMBL
2962,C#CC(N)(C#N)CN(CC)CC([NH3+])C(C)O,0,GDB ChEMBL
345808,[NH3+]CCC1C(=O)OCC(O)C(O)C1O,0,GDB ChEMBL
81513,COC1CCC(O)C[NH+](C)C2C(C)C12,0,GDB ChEMBL
141730,CCOCc1cncnc1CC(C)(CC)OC,1,GDB ChEMBL
4852,O=C1Cc2c(F)cc(=O)sc2CCO1,0,GDB ChEMBL
336644,CCC(C)(N)C(=O)OC1CNC(=O)NC1=O,1,GDB ChEMBL
175877,Clc1cc2ccc1NC1CC1C=CC#C2,1,GDB ChEMBL
72040,O=CC1C2NCC(COC2=O)C1O,0,GDB ChEMBL
276326,CC[NH+](C)CCNc1nc(OC)n[nH]1,0,GDB ChEMBL
156744,CCCC1C=Cc2[nH]ccc2CCC1CC,0,GDB ChEMBL
296601,C#CCC(C)C(C)C1CC1CCC(F)(F)F,1,GDB ChEMBL
115586,N#CC1CC12C1CCC2C[NH+]2CCCC2C1,0,GDB ChEMBL
362190,CC(O)S(=O)(=O)CCNC(=O)CC#N,1,GDB ChEMBL
358455,CCCC12CC=C(C)C(C1)C(C)C2,0,GDB ChEMBL
17526,CCN1C2C[NH2+]CC1C2C[NH2+]C,0,GDB ChEMBL
122995,CCO,1,GDB ChEMBL
234857,CNC(=O)C(CO)(CC(C)O)[NH2+]C,0,GDB ChEMBL
243888,CC[NH+]1C2CC2C2(CO)CC12,0,GDB ChEMBL
184267,COC(=O)C(=O)CC(O)C(C)=O,1,GDB ChEMBL
251411,c1nc(CCC2CCCCC2)cs1,1,GDB ChEMBL
7794,[NH3+]C1CC2C[NH2+]CCC(N2)C1O,0,GDB ChEMBL
79507,[NH3+]C1CNC(=O)OCC2OC(=O)C12,0,GDB ChEMBL
310265,CC(C)CC1CC2(CCCC2)CC(C)(C)O1,1,GDB ChEMBL
107005,CC1OCC(=N)N2CC(=O)NC(CCCO)C12,0,GDB ChEMBL
308660,CCOC1=NCCCC(C(C)=O)C1(CO)OC,0,GDB ChEMBL
391718,N#Cc1ccc(NC=O)c(C2CC2)c1Br,1,GDB ChEMBL
254264,CC(C)CC(CO)CN1CC1,1,GDB ChEMBL
262534,CCN1C(CC[NH3+])C(OC)C1C([NH3+])CCO,0,GDB ChEMBL
98596,CCC1C2CC(O)C1(C(=O)[O-])O2,0,GDB ChEMBL
288652,CCCC(C)CCC1C2CCC2=CC[NH+]1C,0,GDB ChEMBL
227637,CC1[NH2+]C2(C)C(N)C(O)C1(CO)C2CC(N)=O,0,GDB ChEMBL
318373,CN=C1OCC(OC(=O)CC(N)=O)CCC1=O,1,GDB ChEMBL
278161,CC1C(C(=O)[O-])C2CN2C1C(N)=O,0,GDB ChEMBL
378094,C=CC1CC(C)CCC1C(=O)NC,1,GDB ChEMBL
65576,C#CC(C)C(=C)CCC1CCCC1,1,GDB ChEMBL
214039,CC1CCC2CC(C)CCC(C1)C2C,0,GDB ChEMBL
306396,COCC(C)(OC(CO)C1CN1)C(=O)[O-],0,GDB ChEMBL
87497,CN(C)CC1CC(C(=O)[O-])[NH2+]1,1,GDB ChEMBL
72408,CN1C(=O)C(C=O)N(C(=O)C(N)=O)C1=O,1,GDB ChEMBL
396106,N#CC1COC(=O)NCCC12CN2,0,GDB ChEMBL
21464,C#CC(O)C(=O)c1cccc(Br)c1C,1,GDB ChEMBL
353988,CCC#CC(CNCC[NH3+])OCC,0,GDB ChEMBL
260572,CNC(=O)C1NC=NC1C[NH3+],0,GDB ChEMBL
177040,CCC(C)(C)C(C)CC([NH3+])C(O)CO,0,GDB ChEMBL
298196,CCC(OC)C1CC[NH2+]CCC12CC2,0,GDB ChEMBL
254883,C#CC(=O)N1CC=C(C)CCC1=N,1,GDB ChEMBL
280869,C#CC(=O)CNS(=O)(=O)CCC[NH2+]C,1,GDB ChEMBL
299754,COC(=O)C1NCCNS(=O)(=O)C2C(O)C12,0,GDB ChEMBL
203744,Cc1cc2c3c(c1Br)C(=O)CN(C)C3CC2,1,GDB ChEMBL
298932,CN1C=[NH+]C(C(N)=O)C1,1,GDB ChEMBL
181364,C[NH2+]CCOC(C#N)C(=O)C(C)C(C)O,0,GDB ChEMBL
56644,CCC[NH2+]C1C=C2C(O)C3(CCOC3)C2C1,0,GDB ChEMBL
26913,CC1CCC=CC12CC2C[NH3+],0,GDB ChEMBL
281686,N#CC1OC(CO)C=C1CC[NH3+],0,GDB ChEMBL
85823,CCOC1CC([NH3+])C(C)C1C#CC(N)=O,0,GDB ChEMBL
352570,CC1CCC=CC2CCCC(C)(CC1)C2,0,GDB ChEMBL
97154,Cc1conc1OCC[NH3+],0,GDB ChEMBL
243923,C#CCCCOCCCn1cnnn1,1,GDB ChEMBL
28281,C=C(C(C)C)C1CC[NH2+]C(CC)C1,0,GDB ChEMBL
377824,COCC[NH+]=C1NCC(C)(C)N1,0,GDB ChEMBL
135780,CCC1C(C)CC(C)CC=C(C)C1C[NH3+],0,GDB ChEMBL
140849,CCC(C)C1(C)CC2CC1C(C(C)(C)C)[NH+]2C,0,GDB ChEMBL
105074,CC(O)C(C)C(O)C1OC1CCS(C)(=O)=O,1,GDB ChEMBL
300151,N#CC1CS(=O)(=O)NC2=C1C(=O)OC2,0,GDB ChEMBL
318034,Cc1ccc2c(c1)C1CCC3CC3C(C2)C1,0,GDB ChEMBL
296379,CCC(CO)C1(C=O)CC(=O)C(O)C1,0,GDB ChEMBL
251923,CCCCCC1C(C)C1C(C)[NH2+]C,0,GDB ChEMBL
353949,CC1C2CCC(C2)C[NH+]2CC1CC2C,0,GDB ChEMBL
84977,CNC(=N)NC(=O)C1(O)COC1,1,GDB ChEMBL
211137,C#CC1CCC2(C)CCCC(CC)C2C1C[NH3+],0,GDB ChEMBL
2364,N#CCCCN1CC=CC1=O,1,GDB ChEMBL
68636,CCCCC1CCC2C(C)CCC(C)C2C1,0,GDB ChEMBL
142890,C#CC1CC2(CO)CCC1(C(C[NH3+])CCC)C2,0,GDB ChEMBL
226214,COC(=O)C1C(C)NC2(COC2=N)C1O,0,GDB ChEMBL
242942,N=C1NC(=O)Nc2c[nH]cc2N1,0,GDB ChEMBL
354422,[NH3+]CCN1CCS(=O)(=O)NC=CCCC1=O,0,GDB ChEMBL
152061,CCS(=O)(=O)[N-]c1nc(NC)cs1,0,GDB ChEMBL
111470,COC1(C)C=CC([NH2+]C(C)CCO)C1O,0,GDB ChEMBL
99838,CNC(=O)N1CC(=NO)C(O)C1C[NH2+]C,0,GDB ChEMBL
202534,COCC12CC(NC1=O)C1(C)CC21,0,GDB ChEMBL
264919,CC#CC1C[NH+](C(CC)CC)C1,0,GDB ChEMBL
75808,Cc1ccc(OCCO)c(=N)c2c1OCC2,0,GDB ChEMBL
223527,CS(=O)(=O)CCN1CC1,1,GDB ChEMBL
45020,NC(N)=[NH+]CC#CC1CC1,0,GDB ChEMBL
18701,CCC1Cc2cccc3c2C1C1CC31,0,GDB ChEMBL
388389,Nc1cc2c(c3c1OCCOC3)C(O)CO2,1,GDB ChEMBL
214382,CC1CCC(C)C2CC(C1)CC2(C)C(C)C,0,GDB ChEMBL
377818,CC(=O)NC(=N)N(C=N)C=N,0,GDB ChEMBL
305327,CCOc1ccc(C#CC(C)(C)[NH3+])c(Br)c1,0,GDB ChEMBL
160830,C[NH2+]C1C(O)CCCC2CC2C1C=O,0,GDB ChEMBL
147552,N=CN(C=[NH2+])CC1CCC(N)C(=O)O1,0,GDB ChEMBL
334808,C#CC(CC=CC)CC(C)(C)CC,1,GDB ChEMBL
46001,CCCCC1(C)CC12C[NH2+]C2,0,GDB ChEMBL
87687,CCC(OC)(C1CC1)C1(C)CC=CC=CC1,0,GDB ChEMBL
174002,C[NH2+]C1C(O)C2[NH2+]C(CO)CC3C1C32,0,GDB ChEMBL
177901,CC[NH2+]C1CCC(C)C=C(C)C2(CC2)C1,0,GDB ChEMBL
163909,C#Cc1c(Cl)cc(NCC)cc1CC,1,GDB ChEMBL
299176,COC1CC(C)CC12C[NH2+]CC(C)([NH3+])C2,0,GDB ChEMBL
207657,CC(O)CCC(O)(C[NH3+])CN1CCNC1=[NH2+],0,GDB ChEMBL
290142,COCC12CC(C1)c1c(C)cc(Cl)cc12,0,GDB ChEMBL
300149,CCC1(C[NH3+])C(C(=O)[O-])N1C=O,0,GDB ChEMBL
48153,CC1OC(=O)CC2C(O)C2N(C)C1=O,0,GDB ChEMBL
135436,C#CC1NC(=O)CC(C)C(C#N)C1OC,0,GDB ChEMBL
363543,CC(C)C(C[NH3+])(CO)CC(=[NH2+])NC(N)=[NH2+],0,GDB ChEMBL
147546,CN(C)Cc1ccnc(C(=N)N)n1,1,GDB ChEMBL
77240,NC(=O)C12C[NH2+]C1CCC2CCC[NH3+],0,GDB ChEMBL
95901,C#CCc1ccc(NCC#N)c(C(=O)OC)c1,1,GDB ChEMBL
20109,C#CCCC(C)(CCC)C1(C#C)CC[NH2+]CC1,0,GDB ChEMBL
358442,C#CC1C(C)CCC(C)=CCC1C(C)(C)C,0,GDB ChEMBL
301505,N#CC(C(O)CO)C(O)CS(N)(=O)=O,0,GDB ChEMBL
99465,C#Cc1c(Br)ccc(C(C)C)c1Br,1,GDB ChEMBL
70921,CCC1C(C)(C)CC2CCC1(CC(C)C)CC2,0,GDB ChEMBL
310134,C#CCc1c(F)ccnc1C,1,GDB ChEMBL
18672,C=C(C=CC(CC)C(N)=[NH2+])COC,0,GDB ChEMBL
161030,C[NH2+]CC(C)(C)C[NH2+]C1C(=O)C(C)NCC1C,0,GDB ChEMBL
330538,CN(C1CC1C=O)S(C)(=O)=O,1,GDB ChEMBL
84953,C[NH2+]CC(NC(=N)C(=O)NC(N)=O)C(C)C[NH3+],0,GDB ChEMBL
317982,CCC1CCC1C(C)C1CCC(OC)C[NH2+]1,0,GDB ChEMBL
43962,Fc1cc(F)cc(CC23C=CC(C2)C3)c1,0,GDB ChEMBL
288736,CCC1([NH2+]CCCC[NH3+])CC1,0,GDB ChEMBL
57303,CCC12Cc3c(Br)cc(C)cc3C1C2,1,GDB ChEMBL
375694,CC[NH+]1CC(O)C2C1C2(CC#N)OC,0,GDB ChEMBL
81597,NC(=O)C1OCC2C(=O)CC(O)C21,0,GDB ChEMBL
305972,CC1(C(O)C(=O)C(N)=O)CN(C(=O)CO)C1,0,GDB ChEMBL
3938,CCCC(CC)(Cc1cccc(Cl)c1)C(C)C,1,GDB ChEMBL
110264,N#Cc1nc([O-])nc(=O)[n-]ccnc1C(=O)[O-],0,GDB ChEMBL
219539,CC1[NH2+]C(C)c2c(O)ccc(O)c21,0,GDB ChEMBL
71478,NC(=O)C1C2C[NH2+]C1CC([NH3+])CN2,0,GDB ChEMBL
149950,CCS(=O)(=O)N1C(CO)C2NC(=O)C1C2C,0,GDB ChEMBL
45070,CC#CCc1nc(C)cn1C,1,GDB ChEMBL
108175,CC(N=C(N)OC1C[NH2+]C1)C(N)=O,0,GDB ChEMBL
366896,Nc1ccc(CN(CC=O)CC=O)nc1,1,GDB ChEMBL
268151,CCCS(=O)(=O)[N-]C(=O)Nc1cc(=O)o[cH-]1,0,GDB ChEMBL
230284,CC(C(=O)[O-])N(C)c1nccs1,1,GDB ChEMBL
87695,CCC(C[NH3+])N=C(N)NC(=O)CNC(=O)NC,0,GDB ChEMBL
34262,C#CC(CC)CCC[NH2+]CC1(O)CC1,0,GDB ChEMBL
245528,CCC(C)(COC)CC1CC1C,1,GDB ChEMBL
142339,C[NH+](C)CC1CC(CCC#N)=CNS(=O)(=O)C1,0,GDB ChEMBL
361165,CCC(c1c[nH]nc1CC([NH3+])C(C)C)C(C)O,0,GDB ChEMBL
126362,CC(C=NO)C(N)=[NH+]CCCCC(O)CO,0,GDB ChEMBL
334638,CC1CC=C(C=O)CC1O,1,GDB ChEMBL
339045,CC[NH+]1CCC2CC(C1)NC(C)C2[NH3+],0,GDB ChEMBL
28268,COCc1cc(C)c2c(C(C)=O)cnn2c1,1,GDB ChEMBL
78295,CNC1(C#N)CC1(O)C(N)=O,1,GDB ChEMBL
289446,O=C([O-])C(O)CC1CS(=O)(=O)C1,1,GDB ChEMBL
168469,C[NH+](C)CC#CCC(=O)CC(O)(C#N)C#N,0,GDB ChEMBL
132892,CCCC1(C(C)CC)C=C(C)COC(C)C1,0,GDB ChEMBL
374943,CNc1c(CCC=O)nc(N)c(CO)c1C=O,0,GDB ChEMBL
79603,NC(=O)N1CC(Cn2cccn2)C1,1,GDB ChEMBL
149399,CC1=CCC2(CCC2)C(O)(CCC(C)C)C1,1,GDB ChEMBL
285700,C#CC1C(CC)C2C3CCCC[NH+](C)C1C32,0,GDB ChEMBL
340472,CCCC1CC(=O)OCC(C)(OC(N)=O)C1C,0,GDB ChEMBL
255967,NS(=O)(=O)CC1=NC(CO)CO1,1,GDB ChEMBL
140397,CCC(=O)NC(=N)NS(=O)(=O)CC1CO1,1,GDB ChEMBL
339070,CNC(=O)C([NH3+])CCNc1cc(C)on1,1,GDB ChEMBL
280319,CCC(NC(=O)CC(F)(F)F)C1CC1,1,GDB ChEMBL
74347,COCC(C)(CCO)C(C)C,1,GDB ChEMBL
260683,CC1C(C2=NCCO2)C2=CC(O)CC2[NH+]1C,0,GDB ChEMBL
124543,C[NH2+]CCC(O)C1(C)C=CC(C)=C1,0,GDB ChEMBL
161087,COC(C)C#CC1CCC=CC[NH+](C)C1,0,GDB ChEMBL
188526,[NH3+]C(CO)CC(=O)Nc1cnsn1,1,GDB ChEMBL
80288,CC#CC1(C(O)C(O)C[NH3+])CC(OC)C1,0,GDB ChEMBL
124739,CC1CCC(O)C2(CC[NH3+])CC(O)(C1)C2,0,GDB ChEMBL
148191,COCC12CC(C(O)CC(C)C1[NH3+])C(C)[NH2+]2,0,GDB ChEMBL
29481,CN(C)C1C=CCC=CCC1[NH3+],0,GDB ChEMBL
36219,CCCCCCC1=C(C)CCC=CC1,0,GDB ChEMBL
34193,CC1=CC(=O)N(S(C)(=O)=O)C1CC(O)C[NH3+],0,GDB ChEMBL
99609,CC12CCC(C)(CC(=O)C1)[NH2+]2,0,GDB ChEMBL
345685,CC1CCC=C2C=CCC([NH3+])CC21,0,GDB ChEMBL
276173,CCC1CC2NC(=[NH2+])CC(OCCO)C2(C)C1,0,GDB ChEMBL
61669,CCC12CC(C)CC1C(C)(C)CCC2C,0,GDB ChEMBL
280636,Cc1cc(CC#N)cn1C,1,GDB ChEMBL
209449,CC1=CC2CC(C(N)=O)C1(C)C2,1,GDB ChEMBL
3920,CC1CCCC2CC(O)C([NH3+])C(C)OC1C2,0,GDB ChEMBL
34177,CCC(OC)C1CC1(C)C,1,GDB ChEMBL
191697,Cc1cc(F)c(C)c2c1CC(NC=O)CCC2,1,GDB ChEMBL
392231,C#Cc1cc(CC)c2c(C)cn(CC)c2c1,1,GDB ChEMBL
151161,C1CC2CCC1[NH2+]CC1OC21,0,GDB ChEMBL
179173,CC(C)C1(C)OC1C([NH3+])C(C)(O)CCO,0,GDB ChEMBL
346825,CN1C2C(=O)NCC3C(C2[NH3+])C31,0,GDB ChEMBL
22607,CS(=O)(=O)NC1C(C=O)C1C(=O)[O-],0,GDB ChEMBL
175892,C#CCCN(C(N)=O)C(CC)C(N)C[NH3+],0,GDB ChEMBL
278140,C#CC(C(C)C)C1CCCOCCC1,0,GDB ChEMBL
112591,CC1CC2CC(C1)C1CC3(CCC3)CCC21,0,GDB ChEMBL
298201,COC(=O)CN(CS(=O)(=O)[O-])C(C)=[NH2+],0,GDB ChEMBL
301201,CCCCc1cc2c(F)cc(O)c3c2n1CC3,1,GDB ChEMBL
217717,CC=CC1=CCC(C)C1CCOC,0,GDB ChEMBL
239993,C#Cc1cc(C)c(CCCC(C)C)c(I)c1I,1,GDB ChEMBL
234999,COC1CC(=O)C(C(C)C(=O)[O-])=C(N)C1,0,GDB ChEMBL
59200,CN(C)C(=O)C1[NH2+]CC2(c3cc[nH]n3)CC12,0,GDB ChEMBL
155793,CC(C)CCc1c[nH]nn1,1,GDB ChEMBL
259644,CCC1Cn2cnc(O)c2C1([NH3+])COC,0,GDB ChEMBL
84481,CC(O)CCC(c1csc(N)n1)C(C)NC=O,1,GDB ChEMBL
298053,Cc1nc(Cl)c(C)c(CCCCOC=O)c1Cl,1,GDB ChEMBL
101068,CCCC1=CC(=O)NC(C)(C)CCC1OC,0,GDB ChEMBL
343258,CC(C)(C#N)NC1(C=O)CC1CCCCO,0,GDB ChEMBL
82137,C#CCC(=O)Nc1cnsn1,1,GDB ChEMBL
115429,CCOCC1[NH2+]C(C)C2OC(C[NH3+])CC12CC,0,GDB ChEMBL
72414,C#CC(C#C)(C#C)OC(=O)CC,1,GDB ChEMBL
239125,CNC(=[NH2+])Nc1cccc(C(=O)[O-])c1O,1,GDB ChEMBL
129599,COCC1(C)[NH2+]C(C)C[NH2+]CC1C,0,GDB ChEMBL
127684,C#CCC(C)n1cc(N)cc1C[NH3+],0,GDB ChEMBL
198650,CC1CC1CCC1=CCCCCC1,1,GDB ChEMBL
247226,CCC([NH3+])CNC1CC(=N)N(C=O)C1,0,GDB ChEMBL
374196,CNC(=O)C1CN(C=N)S(=O)(=O)C1,0,GDB ChEMBL
103900,CC1(C)C(=O)NCC2(O)CC(N)C[NH2+]C1C2,0,GDB ChEMBL
225813,CC1CCC(C)(C)Cc2ccc(F)cc21,1,GDB ChEMBL
111591,CCCOCCCC1CC(C(C)CC[NH3+])CO1,0,GDB ChEMBL
273812,CC1OC2(C)C(=O)C1CC2C(C)C(=O)[O-],0,GDB ChEMBL
308292,CC1[NH2+]C2CC1OCC(O)C2C,0,GDB ChEMBL
104685,C[NH2+]CCC1C([NH2+]C)CC2CC21,0,GDB ChEMBL
377813,CC[NH2+]C(C)c1ncccc1C(C)C([NH3+])CC,0,GDB ChEMBL
79372,CCC12CC(C)C[NH+]1C(C)c1ccnc(F)c12,0,GDB ChEMBL
190297,CN1C(=O)C=CCC2(NC=O)C(O)C12,0,GDB ChEMBL
352871,NC1=[NH+]CCN1c1nc(N)cc(CCO)c1N,0,GDB ChEMBL
386391,C[NH+]=C1NC(C)C(C)C(=O)N(C)CC1O,0,GDB ChEMBL
202824,CC(C)CC(C)c1cc(Br)cc(C(C)C)n1,1,GDB ChEMBL
308214,CCCC(C)=CC1(C(C)C)COC1,1,GDB ChEMBL
378263,CNC(C[NH+]=C(N)C(N)C(N)=O)C(N)=O,0,GDB ChEMBL
186708,C[NH2+]C1CC(O)C(C)(O)C1,0,GDB ChEMBL
61937,CC(C)C(O)CC(=O)CC(=[NH2+])N1CC1C,0,GDB ChEMBL
395595,O=C(NC1C[NH2+]C1)C1CC1,0,GDB ChEMBL
122886,NC(=[NH2+])NCC1(O)CC2OC(=O)C1C2O,0,GDB ChEMBL
62837,CC12COC1C1CNC(=O)C2([NH3+])C(O)C1,0,GDB ChEMBL
191704,CC(CO)C([NH3+])Cc1ncsc1N,0,GDB ChEMBL
37337,CCCCC1C(CC)C2CCC1(O)C2[NH+](C)C,0,GDB ChEMBL
220145,C#CCCNC(=O)CC=CC(C)C,1,GDB ChEMBL
340002,CCC(O)C1(O)C[NH+](CC)C2COC(C)(C)C21,0,GDB ChEMBL
374904,Cc1cc(NC2C3CC(O3)C2O)no1,0,GDB ChEMBL
310109,CN=C1COC(CCC[NH3+])OC(=O)N1,0,GDB ChEMBL
271476,CCC(C)Cc1cnc2c(F)cc(C)cc2c1,1,GDB ChEMBL
226245,CC(Nc1c(CCO)nnn1C)C(=O)[O-],0,GDB ChEMBL
36164,N#CC(CO)(CO)CCS(N)(=O)=O,1,GDB ChEMBL
35494,C#CC1C2Cc3cc(C)c(Cl)cc3CC12,1,GDB ChEMBL
59656,Cc1c(F)ccc2c1CC1CC2C1C,0,GDB ChEMBL
273678,C#CC(C([NH3+])CC)C(O)CC[NH3+],0,GDB ChEMBL
155788,CCCc1[nH]ccc(=O)c1C,1,GDB ChEMBL
331150,Cc1ccc2cc3c(C)ncc(C)n3c2c1O,1,GDB ChEMBL
360990,CC1CC=C2NC(=O)C(C(=O)N1)C2(N)C#N,0,GDB ChEMBL
179452,CC(CNC(N)=O)[NH+]1CCOC(C[NH3+])C(N)C1,0,GDB ChEMBL
11248,CCC=CC(C[NH3+])OCC1(C)CC1,0,GDB ChEMBL
288579,C#CCC1CC=C(C)C(CC)C(C)C1,0,GDB ChEMBL
118412,CN(C=O)C(=O)C(N)CNC=O,1,GDB ChEMBL
274870,N=C(Nc1cnc(O)nc1O)OCC[NH3+],0,GDB ChEMBL
292332,CC1CC2C[NH2+]CC(C)(CC2O)O1,0,GDB ChEMBL
124813,COc1cnc(C(C)C)n1C,1,GDB ChEMBL
239136,CCCCC1(C)CC2OCC3C2C31,0,GDB ChEMBL
258309,CN(C)C(=O)CNC(=[NH2+])COC=O,1,GDB ChEMBL
221723,O=C1CN=C2CC3CC3N12,0,GDB ChEMBL
334465,C#CC(C#C)N1CCC[NH2+]C(C=O)C(C)(C)C1,0,GDB ChEMBL
29788,CC1=C(C)COC(=O)CCC[NH2+]CC1,0,GDB ChEMBL
197435,CNC(N)=[NH+]CCCN=C(N)NC=O,0,GDB ChEMBL
21746,CCC1C2CCCC(C)C1(OC)C(CO)C2=O,0,GDB ChEMBL
155821,CC1CC2CC2C(OC(C)C)C1,1,GDB ChEMBL
182913,CCC(C[NH2+]C(C)C)CC1([NH3+])COC1,0,GDB ChEMBL
44566,C=CC(CC)C1[NH2+]C(C)C(C)C1C,0,GDB ChEMBL
108162,CCOC1C(C)C2CCC1C2C(C)(C)C,0,GDB ChEMBL
383295,NC(=O)C1CC(OC=O)C(=O)NC(=O)[N-]1,0,GDB ChEMBL
354605,Cc1ncn2c1C(C(=O)[O-])C2,0,GDB ChEMBL
177153,CCC(O)C1C(N)C(O)(C[NH+](C)C)C1[NH3+],0,GDB ChEMBL
230269,CCC1OC(C)C[NH2+]CC(N)C1O,0,GDB ChEMBL
338874,C[NH2+]CC(O)C1(N2CCC2)CC([NH3+])CC1C,0,GDB ChEMBL
92343,CC(C)S(=O)(=O)NC=NCCO,1,GDB ChEMBL
272569,CC1(C(O)C(O)C[NH3+])C(O)C1C(=O)[O-],0,GDB ChEMBL
37612,Cc1cc(C(N)C([NH3+])C2(O)CC2)on1,0,GDB ChEMBL
296024,CC(=N)NC(=O)CN(C)C(=N)NC(N)=O,1,GDB ChEMBL
350906,C1=CCCCC2CCC2CCC1,0,GDB ChEMBL
5341,CC([NH3+])c1[nH]c2c(F)c(N)cc(O)c2c1C[NH3+],0,GDB ChEMBL
377296,CCC(O)C(=O)C1(CO)CS(=O)(=O)C1,0,GDB ChEMBL
107676,CCC(C)C(C)C1CCCC(C)C(C)C1CC,0,GDB ChEMBL
117420,CC(C)(C)C1N=C(N)NC1=O,1,GDB ChEMBL
172350,CCC1([NH3+])C(O)CNC(=O)C12CC2,0,GDB ChEMBL
279222,CN1C(=O)CN2C1=NCC(N)CS2(=O)=O,0,GDB ChEMBL
251857,N#CCC1C(=O)NCC([NH3+])C1O,0,GDB ChEMBL
374326,C#CC1(COC)CC2CC2C1,1,GDB ChEMBL
337934,CS(=O)(=O)[N-]C(=O)C1C[NH+]=CN1,0,GDB ChEMBL
331514,CCCC(C)(C)CN(C)C1=[NH+]C(C)(C)CC1C,0,GDB ChEMBL
35677,Cc1cc2c(c(N(C)C)c1)C1CC2C(C)(C)C1,1,GDB ChEMBL
291889,CC(O)c1cc(O)c(N)c(C#N)c(=N)n1,0,GDB ChEMBL
115706,CCC12C=CC(CC(C)O1)C2C(C)CCO,0,GDB ChEMBL
381432,C#CCC1C(CCC)C2CC(C)C(CC)[NH+]1C2,0,GDB ChEMBL
26618,CNC1C([NH3+])CC2NC(=O)C1(O)C2O,0,GDB ChEMBL
61537,CC(C)Nc1c(N)c2c(cnn2C)n1CC#N,1,GDB ChEMBL
41072,CC1=Cc2nc(C)cc(OC3CC3)c2CC1,1,GDB ChEMBL
24046,CCOc1ccc(F)nc1-c1nn[n-]n1,0,GDB ChEMBL
372189,Cc1cncc(C#N)ccsc1,0,GDB ChEMBL
212561,CC1CN1S(=O)(=O)C1C(=O)OC(CO)C1O,0,GDB ChEMBL
341304,CCC1CCC([NH+](C)CC2CCCC2)C(O)C1,0,GDB ChEMBL
58456,C#CC(C)(C)C(O)C(O)Cc1ccccc1F,1,GDB ChEMBL
316457,CCCCC1(C)CC[NH+]1CC,0,GDB ChEMBL
96105,CN1C(=O)C2C=CCCC1CC2,1,GDB ChEMBL
61879,C#CC1C[NH+](C)CCC[NH2+]CCCC1(C)C#C,0,GDB ChEMBL
156553,CC1[NH2+]C2Cc3cc(Cl)cnc3C1C(O)C2,0,GDB ChEMBL
294451,CC(C)NC(=O)OC12COC(CO)C(C1)C2,0,GDB ChEMBL
202802,CCc1cc(C)c2c(c1F)C1CC1C2C,1,GDB ChEMBL
118739,CCN1C(C(N)=O)C(S(N)(=O)=O)C2C(O)C21,0,GDB ChEMBL
116354,C=CC1([NH3+])CCNC(C[NH+](C)C)C1,0,GDB ChEMBL
203285,CCN1C(C)C2[NH2+]CCCC3C2C31,0,GDB ChEMBL
330507,COCC1CC2C([NH3+])CC1(O)CC1OCCC12,0,GDB ChEMBL
228425,CC1C=CC2(c3ccc(Br)cc3)C(C)C12,0,GDB ChEMBL
225176,N=C1OCCN(C=O)C1CC[NH3+],0,GDB ChEMBL
161991,CC[NH+]=C1NC2CCOCC1CC2,0,GDB ChEMBL
7822,CC1OCC(O)C[NH2+]C1CC(C[NH3+])OC(N)=O,0,GDB ChEMBL
207260,CCC(=O)NCCN=COC(=O)CC(N)C#N,1,GDB ChEMBL
263450,C[NH+]=C(N)NC1C(O)C(N)C(=O)OCC1(C)N,0,GDB ChEMBL
272572,CCC(C)[NH+](C(C)C)C(C)C(C)C,0,GDB ChEMBL
61721,CC[NH+]1CC(C)(NCC#N)C2(CO2)C1,0,GDB ChEMBL
335459,Brc1c(C2CCC2)ccc2ccoc12,1,GDB ChEMBL
344372,CCCC(C)(C)[NH2+]CC(CC)CC(C)C,0,GDB ChEMBL
317565,COCC1[NH2+]CC(C)(C[NH3+])C2CC1C(C#N)N2,0,GDB ChEMBL
321845,C=CC12C=CCC1CNC(=O)C=C2,0,GDB ChEMBL
56636,CC1(O)CC1Nc1ccccc1F,1,GDB ChEMBL
15995,C[NH2+]C1C2CCOC1(C(=O)[O-])C(CC[NH3+])C2,0,GDB ChEMBL
8790,CC(C)c1cc(I)cc(O)c1CC1(O)CC1,1,GDB ChEMBL
99696,CC1C2CCC(C2)C(C)C(C)(O)C1CC(=O)[O-],0,GDB ChEMBL
212609,O=C1Nc2n[nH]c(CO)c2CC1O,0,GDB ChEMBL
217121,C[NH+](C)C1C(O)CC(=O)N2C(C[NH3+])C12C,0,GDB ChEMBL
309826,CCC1CC[NH2+]Cc2c(CO)nn(C)c2C1,0,GDB ChEMBL
292957,CCOC(C)C1[NH+]2CC(CC1(C)O)C2CC,0,GDB ChEMBL
76732,C[NH2+]CC1(C(N)=[NH2+])CS(=O)(=O)NC1C,0,GDB ChEMBL
305244,CC1=CC2CC(O)CC2C1C(F)(F)F,0,GDB ChEMBL
61990,CNc1cnc(NC=O)c2sc(COC)cc12,1,GDB ChEMBL
134419,CC1CS(=O)(=O)NCC(C(=O)[O-])N1,0,GDB ChEMBL
250559,COCCC1(O)CC(C)C(=N)NC1=O,0,GDB ChEMBL
121948,CCCCC1CCCCCC2CC1C2,0,GDB ChEMBL
249624,C#CCC(OCC)C1CC[NH+]2C(C1)C2(C)C,0,GDB ChEMBL
185917,CCN(C(=O)n1nncc1C=O)C(N)=NC,0,GDB ChEMBL
339249,CNc1[nH]cc(CC(O)CC[NH3+])[nH+]1,0,GDB ChEMBL
159729,CC1C2CC(C)(CC3CC3)[NH+]1CC2O,0,GDB ChEMBL
214750,CN1CCc2c(N)c(CC[NH3+])cc(F)c21,0,GDB ChEMBL
235955,CCCC(C)[NH2+]C1CN(C=O)CC1(O)CC,0,GDB ChEMBL
93400,CCC(O)C1NS(=O)(=O)C1C(CC)C(=O)[O-],0,GDB ChEMBL
75039,CCS(=O)(=O)NCC(N)(C[NH3+])C(N)C(=O)[O-],0,GDB ChEMBL
20474,CC(C)c1cnc([O-])cc(O)c1=O,0,GDB ChEMBL
162500,NS(=O)(=O)CC1CC([NH3+])C(O)C(O)CCO1,0,GDB ChEMBL
305232,C#CCC([NH2+]C)C(COC)NC=O,0,GDB ChEMBL
222884,CCC1C2COCC(O)CN12,1,GDB ChEMBL
221677,[NH3+]Cc1ncccc([O-])c(=O)[nH]cc1[N+](=O)[O-],0,GDB ChEMBL
195498,CC1([NH3+])CC([NH3+])COC1C(CO)CC[NH3+],0,GDB ChEMBL
339223,CC1(C)CC[NH2+]C1COCC(CCO)CCO,0,GDB ChEMBL
254214,N=COC1C[NH2+]C(C(=O)[O-])C1O,1,GDB ChEMBL
289970,NC(=[NH2+])C(c1ccccc1Cl)N1CCCC1,0,GDB ChEMBL
44990,CCN=c1nc(C#N)cccc1CCCCO,0,GDB ChEMBL
95480,CC(O)CC(O)(CO)C(N)=O,1,GDB ChEMBL
85707,CNC(=O)C(C[NH3+])Cc1ccc(C[NH3+])cc1Cl,1,GDB ChEMBL
255980,CCC(C)CC#CC#CC1(O)CCC1,1,GDB ChEMBL
275621,Nc1cc([N+](=O)[O-])c2nc(N)oc2c1,1,GDB ChEMBL
140372,C[NH+]1CC2CCC(C2)[NH2+]C2CC21,0,GDB ChEMBL
86702,C[NH2+]CC12CC(C)(O)C(N1)C(C#N)(C(N)=O)C2,0,GDB ChEMBL
77821,C#CC1OC(=O)C2NC(=O)CCCOC12C#N,0,GDB ChEMBL
209887,CCCC1CC2CC(C)C(O)C(CC2CC)[NH2+]1,0,GDB ChEMBL
162893,CC1CC(CO)(n2cc(N)c(C(N)=O)c2)C1,0,GDB ChEMBL
131915,C#CCNC(=O)CCOC,1,GDB ChEMBL
342590,CCC1CCC([NH3+])C#CCC(CC(C)C)C1,0,GDB ChEMBL
239141,COCC1NC2C(C[NH3+])CN(S(C)(=O)=O)C12,0,GDB ChEMBL
277097,CCOC1CCC(O)C1[NH2+]C(C)CC,0,GDB ChEMBL
323950,CCC(=O)c1c(Br)c(C)c(C)c2c1CCC2,1,GDB ChEMBL
111481,C#CC1C(O)CC[NH+](CC)CC1C(C)[NH2+]C,0,GDB ChEMBL
233939,O=C([O-])C1C(O)C2[NH2+]C1(CCO)C1OC21,0,GDB ChEMBL
148338,COC1CC2C(C)CC3CCC2C31,0,GDB ChEMBL
111921,CCC(C(C)C)C1(C)CCC=C(C)CC1,0,GDB ChEMBL
2992,CN(CC[NH3+])C1=CC(=O)OC1,0,GDB ChEMBL
64666,CC12C(=O)OC(CC[NH3+])C1N(C=O)C2=O,0,GDB ChEMBL
228396,CN(C)C1CC(O)C2(C#N)C1OCCC2(C)O,0,GDB ChEMBL
374033,CCC12CCC(C)CC1C2[NH2+]C,0,GDB ChEMBL
332456,C#CCC1CC2CC[NH2+]C1C2C(C)C,0,GDB ChEMBL
375445,CCCCCn1nc(Cl)cc2cnnc1-2,1,GDB ChEMBL
204535,CCc1cc(I)c(CC2CC2)c2c1CCC2,1,GDB ChEMBL
308721,CC(C(N)=O)S(=O)(=O)NCC(N)C#N,1,GDB ChEMBL
195244,CCCC1C2CCCC(=O)CC1O2,1,GDB ChEMBL
297272,CCC(C)(C)C1CCCCC1[NH2+]CCN,0,GDB ChEMBL
163862,CCc1ccnc2cc(NC)sc12,1,GDB ChEMBL
161060,OCCC1CC(C[NH+]2CCC2)C1,0,GDB ChEMBL
377937,CCC1C[NH2+]C(CC)C(C)(C)C1,0,GDB ChEMBL
127520,CCCCC(=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
391708,Cc1ccsc1C(CCO)S(C)(=O)=O,0,GDB ChEMBL
277700,CN(C)C(=O)NCC1=[NH+]CCC(CO)N1,0,GDB ChEMBL
209455,CCCCC1(C[NH3+])C(C)OC1C,0,GDB ChEMBL
301185,C[NH2+]CC(O)C1=C(C)NC(=O)C1COC=O,0,GDB ChEMBL
83513,CC1C2CNC(CC1(O)CCO)C(=O)N2,0,GDB ChEMBL
80484,CS(=O)(=O)C(CO)C(CO)NC(N)=O,0,GDB ChEMBL
234849,CN=C1N=CNC(=O)Nc2ccc(Cl)c(n2)N1,0,GDB ChEMBL
299607,CCc1cncn1CC(C)[NH3+],1,GDB ChEMBL
119900,COCCNC(=O)c1snnc1[O-],0,GDB ChEMBL
300937,CCCCC1C[NH+]=C(NC)CCC1(O)CCC,0,GDB ChEMBL
334619,NC(=[NH2+])C(N)C1C(O)C1CNC(=O)C[NH3+],0,GDB ChEMBL
43503,[NH3+]CCNC(=NC(CO)CO)NC=O,0,GDB ChEMBL
140824,COCc1c(F)c(C)c2c(c1OC)CC(C)C2,1,GDB ChEMBL
64300,[NH3+]C1CC2C(NC1C(=O)[O-])C2c1nn[n-]n1,0,GDB ChEMBL
112514,CN1CCC(C)(C#N)C1=O,1,GDB ChEMBL
87636,CC1(C)CCC[NH+](C2CC[NH+]=C(N)C(N)C2)C1,0,GDB ChEMBL
99136,CC(C#N)c1cc(C(F)(F)F)cc(Cl)c1Cl,1,GDB ChEMBL
51390,CC(=N)OC(=O)N1C(=O)C(CC[NH3+])CC1CO,0,GDB ChEMBL
258716,O=C[C-](C=O)C(=O)Cc1cccc(Cl)c1,0,GDB ChEMBL
358274,CC1N2CCOCC12CC1CC1,0,GDB ChEMBL
252687,C#Cc1c(N)c(F)c2c(c1CCC)CCO2,1,GDB ChEMBL
383291,CC1CC(O)C2(C1)C1CCCC12,0,GDB ChEMBL
1995,CN1CC(C(=O)[O-])S(=O)(=O)NC2C[NH+]=C1C2,0,GDB ChEMBL
240038,CC#CCN(C)C=[NH+]CC[NH2+]CC,0,GDB ChEMBL
12762,N=COC(CO)C(C[NH3+])NC(=O)C(=O)[O-],0,GDB ChEMBL
346511,NC(=O)NC(=O)C1OC(C[NH3+])C1(N)CO,0,GDB ChEMBL
217405,CC1CC([NH3+])C[NH2+]C1Cc1cn(C)nn1,0,GDB ChEMBL
215419,CC1C(O)CC(C)(O)C12C1CC([NH3+])CC12,0,GDB ChEMBL
244472,CNC(=O)N1C2COC3(C[NH3+])CNC(=O)C213,0,GDB ChEMBL
27748,CC1(C(N)=O)COC(C[NH3+])C1O,0,GDB ChEMBL
21693,CCC1CC(CCC(C)C)CC(C(C)[NH3+])C1C,0,GDB ChEMBL
239393,CCC([NH3+])CC[NH2+]CCOCC1C[NH2+]CCN1,0,GDB ChEMBL
175745,CCOC(=[NH2+])N(C)CC(=O)c1ccnoc1=O,0,GDB ChEMBL
296347,CC#CCC1=CC=CCC(CCO)C1,0,GDB ChEMBL
306349,CC(C)(O)CC(C[NH3+])OCCO,0,GDB ChEMBL
127674,COC1CCOCC12CCN(C)S(=O)(=O)C2,0,GDB ChEMBL
217026,N=CN(C=N)C(=O)C[NH+]=C(N)N,0,GDB ChEMBL
116612,CCc1ccc2c(c1Br)CC1CCC2CC1,1,GDB ChEMBL
387192,CCCC1OCC(C)C1(C)C1CC1,0,GDB ChEMBL
121477,C#CCN1CC(=NO)CC1COCC#N,1,GDB ChEMBL
26886,C#CC(C)C(C)C(C)[NH2+]CC,0,GDB ChEMBL
320765,C#CC1(C(=O)OC(C)C)CCC(C)CCC1C,0,GDB ChEMBL
130481,Clc1ccc(C[NH2+]C2CC2)cc1,0,GDB ChEMBL
377280,CC1C([NH3+])CCC1C[NH+]1CC1C,0,GDB ChEMBL
120889,N#CC(N)C1(N)CCOCC(O)C1NC(N)=O,0,GDB ChEMBL
346486,CCCCC1(C2CC=CC2)CCN(C=O)C1,0,GDB ChEMBL
279128,CC1(C)CN1C(=O)C[NH3+],1,GDB ChEMBL
81621,C#CCC(=C)CC(CCC)CCC,1,GDB ChEMBL
132495,NC(=O)N1C=NCC([NH3+])CC1=O,0,GDB ChEMBL
172348,CC1(C)CC(CO)C(O)CCC([NH3+])CO1,0,GDB ChEMBL
39755,CCN1CC(C)([NH3+])C2(C(=O)[O-])C(O)CC12,0,GDB ChEMBL
319205,CC1NS(=O)(=O)CCCC12CO2,1,GDB ChEMBL
396085,CC1(C)C=CCC=CC(=O)O1,1,GDB ChEMBL
277413,CC1CC2C(C)CC(CC2[NH3+])[NH2+]1,0,GDB ChEMBL
378106,NC(=O)CC(=O)C1NCC[NH+]=C(N)C1C(=O)[O-],0,GDB ChEMBL
275561,CN(C)C(=O)c1ccsc1CNC(N)=O,1,GDB ChEMBL
38868,C#CC[NH+]1CCCC=CC1C#CC,0,GDB ChEMBL
361835,C=CCC1=CCCC(O)CC1CC,0,GDB ChEMBL
124833,C#CCC(C)CCC1CCCC(OC)C1C,0,GDB ChEMBL
33226,C[NH2+]CC1COC2COC(OC2C)C1OC,0,GDB ChEMBL
218603,CC#Cc1cc(C(C)(C)C)c(F)cc1F,1,GDB ChEMBL
289975,N#CCC1COC(=[NH2+])NC(C=O)C1,0,GDB ChEMBL
381480,CCC12CNC(=O)N(C)CC1C[NH+](C(C)C)C2,0,GDB ChEMBL
136154,C#CCC(C)C1CC(C)(C)CCCCC1C,0,GDB ChEMBL
300674,CCN1C(=[NH2+])NCCC[NH+]=C1N,0,GDB ChEMBL
22007,C#CCCC(CC#C)OCC,1,GDB ChEMBL
356505,CCC1COC2CCC(C2)C2(CC=CC2)[NH2+]1,0,GDB ChEMBL
124538,CCC1CCC2C(CC)C1CCC2(C)C,0,GDB ChEMBL
133002,CC1OC(=O)CNC(=O)C1S(N)(=O)=O,0,GDB ChEMBL
1513,CCCc1c(N)sc2ccc3[nH]ncc3c12,1,GDB ChEMBL
198657,CCCOCC1CCNC(=O)O1,1,GDB ChEMBL
228385,CC#CC1C=CC2CC[NH2+]CCN2C1,0,GDB ChEMBL
301155,C=CC(N)C(C)(C#N)OCC[NH2+]C,0,GDB ChEMBL
258281,NC(=O)NC1CC2(O)C[NH2+]C(CO)C1C2O,0,GDB ChEMBL
386649,Cc1ncnc(OC(C)C)ncnc(C)n1,0,GDB ChEMBL
221894,COC(=O)C1[N-]S(=O)(=O)CC2OC21C[NH3+],0,GDB ChEMBL
165615,COC(C(N)=[NH2+])C(CNC(=O)C[NH3+])N(C)C,0,GDB ChEMBL
277421,C[NH2+]C1C(N)CC2[NH2+]CCC1(O)C2CCC[NH3+],0,GDB ChEMBL
275514,Cc1cc(C2C[NH2+]C2)cc(F)n1,0,GDB ChEMBL
90324,CC(C(O)C[NH3+])C1(O)C(NC=O)C1C(=O)[O-],0,GDB ChEMBL
139781,CN1C2CC(CC(CO)S1(=O)=O)C([NH3+])C2O,0,GDB ChEMBL
47360,CCNC(=[NH2+])NCC(CS(=O)(=O)CC)NC,0,GDB ChEMBL
120702,CNC12C[NH2+]CCCC([NH2+]C1)C2O,0,GDB ChEMBL
288960,CC[NH2+]Cc1scnc1N,0,GDB ChEMBL
380366,CC#Cc1ccc(Br)c2c(N)c(CC)sc12,1,GDB ChEMBL
136679,CCN1CCC(=O)C(CC(N)=[NH2+])C1,0,GDB ChEMBL
267925,CCCCCC1=C(C)CCC1C(C)C,1,GDB ChEMBL
68520,CCOC(C)(CO)C1OCc2cccc(Br)c21,0,GDB ChEMBL
159854,O=C1OC2C(=O)NC1C1C2CNS1(=O)=O,0,GDB ChEMBL
112760,C#CC([NH3+])CC1CCN(C(=N)N)C1=O,0,GDB ChEMBL
114791,CC(=O)NCCNc1c(N)[nH]c(=O)n1C(C)=O,1,GDB ChEMBL
53684,CC1C2CCOCC([NH3+])C1OC2,0,GDB ChEMBL
286991,C#CC(C)C(=O)NCC#CC,1,GDB ChEMBL
31990,NC(=O)NC(=O)C1(C[NH3+])CCNC1=O,0,GDB ChEMBL
120510,CC1COC(CO)C[NH2+]C1(C)CS(C)(=O)=O,0,GDB ChEMBL
356869,CC1OC2C(O)C(C(=O)[O-])OC2C([NH3+])C1CO,0,GDB ChEMBL
372775,CCC12CC(C)C(C)(C1)NC(C([NH3+])C(=O)[O-])=N2,0,GDB ChEMBL
320317,C#CCN=CN(C)c1cc(C=O)nc(N)c1F,0,GDB ChEMBL
149957,C#CCC(C)(OCC(=O)N(C)CC)C(N)=O,1,GDB ChEMBL
97184,C#CC1CC1[NH+](C)CCCCC,0,GDB ChEMBL
271519,CC1CCC2C(O)COC2(C)C1CCO,0,GDB ChEMBL
358892,CC1=CCCCCCCc2cc(C)cc1c2,1,GDB ChEMBL
348866,CC(O)C(C)C1C(C)CCN1C(N)=O,1,GDB ChEMBL
384855,OCC(O)C1CC(O)C(O)CO1,1,GDB ChEMBL
274830,CCCC1C(C(C)CC)CC(C)C1C(C)(C)C,0,GDB ChEMBL
261346,CC12CCC(CO)OC1(C#N)CCC2C[NH3+],0,GDB ChEMBL
274097,C#CCC1CC1(CCC)CCO,0,GDB ChEMBL
97710,COCCc1nsc(C=O)c1[N+](=O)[O-],0,GDB ChEMBL
174645,CC1CC(C)C2(C)CC(O)CCCC[NH+]12,0,GDB ChEMBL
33339,CC1OCCC(=N)N(C(C)C#N)C1=O,1,GDB ChEMBL
383331,O=C([O-])C(=O)Cc1ncc[nH]1,0,GDB ChEMBL
95203,COc1cc2c(C#N)n(C)cc2c(C)c1Cl,1,GDB ChEMBL
380284,CC(=O)OCC1CCC(=O)CNC(=O)C(N)=N1,0,GDB ChEMBL
37177,C=CC1C(C)CC=C(C)CC1CC,0,GDB ChEMBL
322910,C#CCC(C)C(C)C1OC(C)CC1CC,0,GDB ChEMBL
124776,C[NH2+]C1C=C(C)C(C)CC(=O)CCCC1,0,GDB ChEMBL
352701,CC1C=CCN2CC([NH2+]CC2C)C1C1CC1,0,GDB ChEMBL
156176,NC(N)=[NH+]CC(O)C1[NH2+]CC2C([NH3+])C21,0,GDB ChEMBL
89134,Cc1c(CO)ccc2c1CCC(C(C)C)=C2,1,GDB ChEMBL
3038,CC1C2NC(=O)OC12C(O)C(N)=O,0,GDB ChEMBL
368459,CC1OC2C=CC1C2(C)CC#N,0,GDB ChEMBL
308138,COC1(C2C(C)CCOC(C)C2[NH3+])CC1,0,GDB ChEMBL
45035,COC(=O)C12C[NH2+]CC1C([NH3+])C2,0,GDB ChEMBL
251069,CC1C2NCC([NH3+])CC(C(=O)[O-])OC12,0,GDB ChEMBL
304590,C#CCCCOC1C(C)C[NH+]2CC1C2CC,0,GDB ChEMBL
368435,COCC([NH3+])Cc1ccc(NC(C)=[NH2+])nc1Br,0,GDB ChEMBL
47544,COc1cnnc(N(CCO)CCO)n1,1,GDB ChEMBL
345495,[NH3+]C1C(=O)NC2COC3CC1C23,0,GDB ChEMBL
17437,CN(CC(=O)[O-])c1ncc[nH]c1=[NH2+],0,GDB ChEMBL
333863,CCCC(=O)C(=O)COC,1,GDB ChEMBL
287336,CC(=O)NC(=O)c1nc(CO)nc(O)c1I,1,GDB ChEMBL
70834,CC(C)CC1C=CCN1c1cccc(Cl)c1,1,GDB ChEMBL
260161,CS(=O)(=O)NC1C(=O)OC2C(C(N)C[NH3+])C12,0,GDB ChEMBL
273630,CC1CCCC1(C)CC1CCCC1,1,GDB ChEMBL
51001,CC1CC(C(N)=O)C(C(O)CS(N)(=O)=O)O1,0,GDB ChEMBL
159749,CCCCCCC1([NH3+])C=CC(C)C1CC,0,GDB ChEMBL
217727,C[NH+]1CC2CCC(=O)CC2C1,0,GDB ChEMBL
311353,CC1CCC(=O)C1C1(NC(N)=[NH2+])C[NH2+]C1,0,GDB ChEMBL
317347,NC(=O)C1NC=NC1C(=O)CO,0,GDB ChEMBL
9781,C#CC(CNC(C)C#N)[NH+]=C(N)CC,0,GDB ChEMBL
34900,C#CCC(C)C(C)C(CCC)CC1CCCC1,0,GDB ChEMBL
345469,N#CC1COC(C#N)C1NC(N)=O,1,GDB ChEMBL
4755,C#CC1(c2nccc(C)c2Br)CC(C)C(=O)N1,0,GDB ChEMBL
196753,CC1(C)CN2C(=O)CC3[NH2+]CC(OCC[NH2+]1)C32,0,GDB ChEMBL
262312,OC1C=C(Cc2ccccc2Br)CC1,1,GDB ChEMBL
204805,CCCCCc1c(O)nc2[nH]cnc2c1OC,0,GDB ChEMBL
98599,CC1[NH2+]CCC(O)CNc2nc(N)nc(O)c21,0,GDB ChEMBL
101483,CCCC1CCC(C)C(CCC)C1(C)C,0,GDB ChEMBL
298091,CCC1CCC(C(C)C)CCC(C(C)(C)C)C1,0,GDB ChEMBL
328824,NC(=O)C(CO)(C([NH3+])CO)C(O)C[NH3+],0,GDB ChEMBL
201062,CCC(C)C1CCC12CC([NH3+])CC2OC,0,GDB ChEMBL
46011,C[NH2+]C1C(C)C(O)CNC(=O)C(O)C(C)C1O,0,GDB ChEMBL
25179,C[NH2+]CC(C)C(O)(C#N)CNc1ncnn1C,0,GDB ChEMBL
233419,COC1CC(C)C(C)CC1(C)C,1,GDB ChEMBL
374170,CCCC1C(C)C1CO,1,GDB ChEMBL
81410,C#CC(C)C1(N)CC([NH2+]C)CCn2cncc21,0,GDB ChEMBL
207963,CC(C)n1cc(OC=N)c(CCCO)n1,1,GDB ChEMBL
230384,COC(CO)CC(=N)NC(C)=[NH2+],0,GDB ChEMBL
277769,CN1CC23CC(CC(=O)N2)C1C3[NH3+],0,GDB ChEMBL
1491,C[NH+](C)CCOC1(C=O)C(O)CCC1C(=O)[O-],0,GDB ChEMBL
375486,CC(C)CC12CCC1c1ccccc1N2,1,GDB ChEMBL
132707,CCN=C1C(O)C=CN1CCC[NH2+]C,0,GDB ChEMBL
7392,C#CC(C)C[NH2+]C1CCCC(C)(O)CC1C#N,0,GDB ChEMBL
202037,CC1CCC2NC(=[NH2+])CC2C1,0,GDB ChEMBL
318012,CCC1(CO)CCCC2C[NH2+]C(C(=O)[O-])C1N2,0,GDB ChEMBL
385652,NC(=O)C1C(=O)OC12CC([NH3+])C(O)C2O,0,GDB ChEMBL
379381,C[NH+]=C(N)C(CO)C(C)=O,0,GDB ChEMBL
44980,CCC1OCC(O)C2C([NH2+]C)C=CC12,0,GDB ChEMBL
342638,C#CCC(C1CCC1)C(C)(C)C,1,GDB ChEMBL
59629,CCC(CC)CCc1cc(F)c(F)c(C)c1C,1,GDB ChEMBL
183486,CC12COC(C(CNS(C)(=O)=O)O1)C2O,0,GDB ChEMBL
160856,CC(=[NH2+])NCC1NC(=[NH2+])C(C(O)CO)CC1N,0,GDB ChEMBL
349492,NC(=O)NCC(C(N)=O)n1cc(N)cn1,0,GDB ChEMBL
321374,CCOC(=O)C(N)C1(N)C(O)C(O)C1C#N,0,GDB ChEMBL
149398,CC1CCCC1C(C1CC1)C(C)(C)C,0,GDB ChEMBL
111901,CCC1CCn2c(cc(C)c2C)CCC1(C)C,0,GDB ChEMBL
191699,CC(=O)CC1CC[NH+](C)C1,1,GDB ChEMBL
118449,C#Cc1c(C#N)c(CC)cc(CC)c1CCO,1,GDB ChEMBL
205942,CC(CN)[NH+]1C(CO)CC2C=CC1(C)C2,0,GDB ChEMBL
306402,CCC1CC2CC1C([NH2+]C)CC2C,0,GDB ChEMBL
365784,CC(=[NH2+])NC(CC#N)CC(C)C,0,GDB ChEMBL
70308,CC1CN(CC=O)C(=O)NC(=N)NC1=O,1,GDB ChEMBL
29723,c1ccc(-c2ccsc2)nc1,1,GDB ChEMBL
50983,CC1CCCC2(C)CCCC2CC([NH3+])C(C)[NH2+]1,0,GDB ChEMBL
30355,C#CC(O)C([NH3+])CC=CC(C)CC,0,GDB ChEMBL
112788,Cc1c(Cl)ccc2c1CC1CC(C)C1C2C,0,GDB ChEMBL
28984,CC1CC2(C)CCCC=CC1CC2C,0,GDB ChEMBL
262244,N#CC1C2CC3CCC[NH+]3C12,0,GDB ChEMBL
58993,CCCC(C)C1CC1(CC)[NH+](C)C,0,GDB ChEMBL
289293,CC(O)C1OC2C[NH2+]CC2C1O,0,GDB ChEMBL
284261,CNC(=O)C1CCCS(=O)(=O)C1CC(N)=[NH2+],0,GDB ChEMBL
354967,CC([NH3+])(C(=O)N1CC1)C(OC(N)=O)C(=O)[O-],1,GDB ChEMBL
88180,Cc1cc(C(C)C)cc(=O)n2c(C)cnc12,0,GDB ChEMBL
70866,Cc1c(Br)c(C(C)C)cc2c1C(C)CC2,1,GDB ChEMBL
78610,CC1[NH2+]CCN=C(C[NH3+])NCC1O,0,GDB ChEMBL
132504,CC1[NH2+]CC(O)C([NH3+])C2OC2C1O,0,GDB ChEMBL
114374,CC1CCC(C)[NH+]1CCCCOCCOC=N,0,GDB ChEMBL
126874,CCCc1cc(C)c(Cl)cc1CCC,1,GDB ChEMBL
189876,Oc1ccc2c(n1)CCCC=CC2O,1,GDB ChEMBL
124775,N#CC12CC=CC(=O)NC(CN1C=O)C2,0,GDB ChEMBL
230732,C#CC1(CO)CC(C(C)C)C=CCO1,0,GDB ChEMBL
387286,CCCOc1c[nH]c(C)c1,1,GDB ChEMBL
222130,CCC1CC2OC(=N)CC1N1CC(=O)NCC21,0,GDB ChEMBL
226275,CC#CCC(C)OC(C)C[NH3+],0,GDB ChEMBL
372162,C[NH2+]C1COC2C(C=O)CN(C)C12,0,GDB ChEMBL
252612,COC(=O)C(N)CNC(N)=[NH+]C1(C)CC1,0,GDB ChEMBL
164700,C#CCN(C)C(=O)CC(O)CNC=[NH2+],0,GDB ChEMBL
187197,CC1CC1C(=O)N1CC12C=CC=C2,0,GDB ChEMBL
169073,CC1=CC(C)C2CC1C[NH+]2C,0,GDB ChEMBL
127921,CC(=[NH2+])N1CC(C)N(C(N)=[NH2+])C2(CC2)C1,0,GDB ChEMBL
102283,O=C1NC2CC1CC2=O,1,GDB ChEMBL
185922,C[NH2+]CC1CC(O)C=CNC1=O,0,GDB ChEMBL
126617,CCC12CCC(C)CC(CO1)[NH2+]C2,0,GDB ChEMBL
87673,CC1[NH2+]CC(CO)CC2(C#N)CC12C,0,GDB ChEMBL
140286,Cc1cnc(O)n1C(C=O)CCCO,1,GDB ChEMBL
122832,CC12COC1C(C=O)CCN(S(C)(=O)=O)C2,0,GDB ChEMBL
115254,CCC(O)C(C)NC(=O)S(N)(=O)=O,0,GDB ChEMBL
391685,CCC1(C)CC1C(O)CC[NH3+],0,GDB ChEMBL
11358,CC1CC([NH3+])C(=N)OC(C([NH3+])CC[NH3+])C1,0,GDB ChEMBL
190413,CC#CC1(C2CC2)CCC[NH2+]1,0,GDB ChEMBL
379684,CC[NH+]1CCC(C2=CC(C)C(O)C2C[NH3+])C1,0,GDB ChEMBL
391703,C#CCC(C)[NH2+]CC(N)CS(N)(=O)=O,0,GDB ChEMBL
142539,CC1CC2C(C(CC(=O)[O-])O1)N2C,0,GDB ChEMBL
266507,CC1CC(=O)C2C1CN(C1CC1)S2(=O)=O,0,GDB ChEMBL
124828,C[NH2+]C1CC([NH3+])CCNC1C,0,GDB ChEMBL
156011,CCN1CCC(C=O)C2(COC2)C1C=NO,0,GDB ChEMBL
189764,CCCCCC1(C)C2CC(CC)C1C(C)(C)C2,0,GDB ChEMBL
336626,CCC1CC(O)C([NH3+])CC=C1CCO,0,GDB ChEMBL
318135,[NH3+]CC(=CC(O)C([NH3+])CO)C(=O)[O-],1,GDB ChEMBL
53255,C1=CCCC=C2CCC(CC=CC1)C2,1,GDB ChEMBL
118483,CC(C)(NCC#N)C([NH3+])Cc1ccc(=[NH2+])[nH]c1,0,GDB ChEMBL
328917,CC1C2Cc3c(F)ccc(F)c3C12,1,GDB ChEMBL
283277,C[NH2+]C(C)C(C=O)C(O)C(C)O,0,GDB ChEMBL
66747,NC(CO)C([NH3+])C1CCC1,1,GDB ChEMBL
149412,CCCC1CC(C)(C(C)C)C(C(C)C)CC1C,0,GDB ChEMBL
290309,[NH3+]CCC1(O)COCOC1=NCC(=O)[O-],0,GDB ChEMBL
208389,C[NH2+]CC12CN(C=O)C(C1O)C(C)(C)CO2,0,GDB ChEMBL
277627,CC#CC1NC(=O)c2cc(Cl)ccc21,1,GDB ChEMBL
161073,[NH3+]CC1CC2C(O1)C(=O)NC1CC12,0,GDB ChEMBL
300515,CCC1CCC([NH3+])C2(COC2)N1,0,GDB ChEMBL
354818,CCCC(C)C1CC(C)CC=CC12CC2,0,GDB ChEMBL
155792,CC(C)COC12CC([NH3+])C(CC1C)C2,0,GDB ChEMBL
216466,C#CC(C1=CCCC1[NH+](C)CC)C1CCC1,0,GDB ChEMBL
280634,C#CCC1C#Cc2ccc(cc2)C=CC=C1,0,GDB ChEMBL
256008,Cc1ccc(CCC2CCC([NH3+])CC2(C)C)[nH]1,0,GDB ChEMBL
379713,CC1NC2CCC1N(C)C2=O,0,GDB ChEMBL
222917,CC1(O)CC1C(C(N)=O)C([NH3+])CO,0,GDB ChEMBL
383010,CC12CC3CC1[NH2+]C(CC#N)C2C3,0,GDB ChEMBL
143493,CCCCCOc1nn[nH]c(=O)c1N,0,GDB ChEMBL
218549,C#CCC(C)(C[NH2+]C)C1CC(CO)CC1C,0,GDB ChEMBL
238171,CNC(=O)n1cnc(C(N)=O)c1C(C)O,1,GDB ChEMBL
55493,CCC(C)(C)C1CCC2CC(NC1=O)C2O,0,GDB ChEMBL
177316,C[NH2+]CCC1(O)CC([NH3+])C(C)C12C[NH2+]C2,0,GDB ChEMBL
227790,CCn1ccc(Cc2c(C)onc([O-])c2=O)n1,0,GDB ChEMBL
308011,COC(=O)C(O)(C(O)CO)C(CO)C(N)=[NH2+],0,GDB ChEMBL
247629,CS(=O)(=O)c1nsc(N)c1C(=O)N1CCC1,1,GDB ChEMBL
34357,CC1CCCC2NC3CC3[NH2+]C12,0,GDB ChEMBL
190850,C[NH2+]C1(CC(O)CO)C(C)C1N,0,GDB ChEMBL
109156,CCC1C[NH2+]C(C=O)CCCC(C(O)C#N)N1,0,GDB ChEMBL
356847,CN(C(=O)C[NH3+])C1C(O)C([NH3+])C2(C)OC12,0,GDB ChEMBL
6040,C#CC(CCC)C(C)(C)S(=O)(=O)NC,0,GDB ChEMBL
236722,CC1CC=CCCC2C([NH3+])C2C1,0,GDB ChEMBL
361130,CCNC(=O)c1noc(C(C)N)n1,1,GDB ChEMBL
306406,CN(CC(O)C1OC1(C)C=O)C(N)=[NH2+],0,GDB ChEMBL
50885,CCC1=CC(C)(CC)CC(CC(C)C)CC1,0,GDB ChEMBL
383720,CCC1C[NH+](C)C2C1=CC(C[NH2+]C)OC2C,0,GDB ChEMBL
23979,CCC(C)CC1(C)CCCOc2cocc2O1,1,GDB ChEMBL
346875,CC(C#N)(C=CNC(=O)CO)C[NH3+],0,GDB ChEMBL
203234,COC1C(=O)NCCC2OCC2C1O,0,GDB ChEMBL
249807,N#CC1CCc2c(-c3ccccn3)noc21,1,GDB ChEMBL
272541,CCOC12CC(C)CC1C1OC2C[NH2+]CC1N,0,GDB ChEMBL
392479,CC1C[NH2+]C2CC(O)C(N)(C#N)C12,0,GDB ChEMBL
393966,Nc1cc(Cn2cnc(CO)c2)cc(O)c1O,1,GDB ChEMBL
255332,CCC1(C2CCCCC2)C2CCC1[NH2+]2,0,GDB ChEMBL
121479,C#Cc1ccc(CC)c(F)c1CC1CC1,1,GDB ChEMBL
130347,CC1(C[NH3+])C2OC2C([NH3+])C1C(=O)[O-],0,GDB ChEMBL
227508,CCC1=CC2C(C1)OC(=O)C2(N)COC,0,GDB ChEMBL
218366,CC1OC(CC(CO)NC(N)=[NH2+])OC1C[NH3+],0,GDB ChEMBL
355149,CNC(=O)C(OC(N)=[NH+]C)C(O)C(=O)[O-],0,GDB ChEMBL
260730,C#CC1(CCCC(F)(F)F)CC(C)CCC1C,0,GDB ChEMBL
345740,C#CC1CC(CC)C2C(C)CCCC12C,0,GDB ChEMBL
195561,C#Cc1c(C2CC2)ccc(C#CC)c1Br,1,GDB ChEMBL
355329,CN1CC2(C#N)C(=O)NCCOC(=O)C12,0,GDB ChEMBL
2155,Cc1cccc2c1C(C)C1CCC=C21,1,GDB ChEMBL
378622,CC(N)C1C(CC(N)=O)N1C(N)=[NH2+],0,GDB ChEMBL
219554,Cc1cc(F)c(F)cc1C1(C)CC1(C)C,1,GDB ChEMBL
351390,CC1(O)CC2(CC(C[NH3+])C2)C1,0,GDB ChEMBL
184496,C#CC[NH+](C)C(C)C1CCC(=O)OC1,0,GDB ChEMBL
274167,COC1CC(C(F)(F)F)COC(C)CC1(C)C,0,GDB ChEMBL
112365,CC1CC([NH3+])C2CC(CO2)O1,0,GDB ChEMBL
53057,COC1C(C)OC2CC(O)(CO)C[NH2+]C2C1C,0,GDB ChEMBL
108730,CC12NC1C1C(=O)N(CC[NH3+])CC1C2CO,0,GDB ChEMBL
338856,NC(=O)OC1CC(CO)(CO)N2CC12,0,GDB ChEMBL
212593,CC(C)CC1(C)Cc2nocc2N1CCC#N,0,GDB ChEMBL
337776,CN=c1cnc(CC[NH3+])c(C(N)=O)[nH]1,0,GDB ChEMBL
355126,C#CCC1CCc2cccc3c2C1([NH3+])CCC3,0,GDB ChEMBL
121492,CC1([NH3+])C=CCC2CC(O)CCC21,0,GDB ChEMBL
76993,COCC1CNC(=[NH2+])C(O)C1,0,GDB ChEMBL
283440,CC1[NH2+]CCC(O)C1(O)C[NH3+],0,GDB ChEMBL
33187,CC1C=C2CC(C)CCCC2C(C)(C)C1,0,GDB ChEMBL
136498,N#Cc1nnn(CC[NH3+])c1CCCO,0,GDB ChEMBL
385488,CCC1C(C(C)CC(C)(C)C)CCC1(C)CC,0,GDB ChEMBL
381433,Clc1ccc(C2=CC3C4CC(C4)C3C2)cc1,0,GDB ChEMBL
227503,CCCC(C1[NH2+]C(C)CCC1C)C(C)(C)CC,0,GDB ChEMBL
274052,C[NH+]=C(N)OC(CO)(CC[NH3+])CCCO,0,GDB ChEMBL
104618,CC1CC(CO)[NH+](C)CC1(C=O)CC=O,0,GDB ChEMBL
93737,[NH3+]C(CO)COCC([NH3+])Cn1cnnn1,0,GDB ChEMBL
345774,CC1(CC2C[NH2+]CCO2)CO1,0,GDB ChEMBL
258036,COC(C)(C=O)C(O)C1COC(=O)N1,0,GDB ChEMBL
124121,CC(=O)C1CCC[NH+]2CCOCCC(C)(C2)O1,0,GDB ChEMBL
277739,CC#Cc1c(I)c(O)cc(OC(C)C)c1I,1,GDB ChEMBL
123039,CCCOCC(C)C1(C)CO1,1,GDB ChEMBL
175909,CN1C2CC2C=CC2(C#N)C(=O)NCCC12,0,GDB ChEMBL
28377,CC1OC2COCCOC2C1[NH3+],0,GDB ChEMBL
389587,CCC1(N)C2C(OCC[NH3+])C3CCC[NH+]3C21,0,GDB ChEMBL
234859,C#Cc1ccc(C[NH3+])n1CCO,0,GDB ChEMBL
210944,CC#CC1(C(C)C(C)CCC)CCCC1,0,GDB ChEMBL
133183,CCC(C#N)CC1(C)CC1,1,GDB ChEMBL
234929,CNC1=[NH+]CC2CC(C1O)C(C)N2C(N)=[NH2+],0,GDB ChEMBL
257996,CC1(C)[NH2+]CCC2CC=CCC1C[NH2+]2,0,GDB ChEMBL
77070,CC1CCCC=CC1(O)Cc1ccccc1,1,GDB ChEMBL
286990,CCC1[NH2+]C(C)C(O)C1C#N,0,GDB ChEMBL
319358,CC(C(=O)[O-])C1C2CS(=O)(=O)CC(=O)N21,0,GDB ChEMBL
13863,CCC(CO)N(CCN)C(N)=[NH2+],0,GDB ChEMBL
13147,CC1CCC2=CCC(CC(C)(C)C)C2C1O,0,GDB ChEMBL
143149,CNc1cc(C(=O)NC=O)cc(N)c1F,1,GDB ChEMBL
118365,CCC1CC2C(C)CCCC1C2C1CCCC1,0,GDB ChEMBL
332454,[O-]c1nsnc1NCC(O)CO,0,GDB ChEMBL
202004,[NH3+]CCC1=CC(O)CC[NH2+]C1,0,GDB ChEMBL
273986,Cc1ccc2c(c1Cl)C13CCCC1C3C2,0,GDB ChEMBL
259360,CN=C(N)N(C)C(=O)CS(=O)(=O)[O-],0,GDB ChEMBL
344312,CC1[NH2+]CC2C1=CCCC(C)C(C#N)N2C,0,GDB ChEMBL
384813,CC1(CO)C(OC(N)=O)CC2C(C(=O)[O-])N21,0,GDB ChEMBL
346501,N#Cc1cccc(C(=O)C(O)CO)n1,1,GDB ChEMBL
135781,CCC1([NH2+]C)C2CN(CCO2)C1(C)C(N)C#N,0,GDB ChEMBL
221407,CCc1cc2c(cc1Cl)CC(C)(C)C(CC)C2,0,GDB ChEMBL
127618,CCCS(=O)(=O)N(C)C=O,1,GDB ChEMBL
165598,COC1OC(N)=NC(CO)(C(N)=O)C1O,0,GDB ChEMBL
87546,Cc1cscc(NC(=O)c2cccn2C)c1=[NH2+],0,GDB ChEMBL
265538,CCC(NS(C)(=O)=O)C1(O)C([NH3+])C1O,0,GDB ChEMBL
274203,CCC1C2[NH2+]CCC=CC(O)C1(C)CC2N,0,GDB ChEMBL
125605,CN1C(=O)CN2CC(=NO)C(O)(C2)C1C#N,0,GDB ChEMBL
289230,CCC(O)C(OC)C1CC(C)(O)C1C[NH3+],0,GDB ChEMBL
29450,CC(=O)NCC1CCC2(COC2)C(C)(C)[NH2+]1,0,GDB ChEMBL
195329,CCC1([NH3+])C2OC(=O)C1C(C([NH3+])C(=O)[O-])O2,0,GDB ChEMBL
237979,Cn1ncc2c1S(=O)(=O)[N-]C2=O,0,GDB ChEMBL
127705,CCC(=O)C(O)CCCO,1,GDB ChEMBL
389064,CC(C)OC(C)C1(C)CC1,1,GDB ChEMBL
71279,CC12CC3C([NH3+])CC1C3C(=O)O2,1,GDB ChEMBL
129845,O=C1NCC2C1OC1C(O)C[NH2+]C21,0,GDB ChEMBL
81134,C#CC(O)CC1=CCC(CC)C1,1,GDB ChEMBL
152579,C#CC1(C)CC(C(C)CCC)CCCCC1O,0,GDB ChEMBL
353921,CCC(C)CCC1CC(C#N)C1,1,GDB ChEMBL
112615,CC1CC2CCC(CCCC1(O)C(C)(C)C)C2,1,GDB ChEMBL
8712,NC(=[NH2+])C1CN(CCO)C(=O)C(NC(N)=O)=N1,0,GDB ChEMBL
276137,CCC(C(C)[NH3+])C12CC1NC(=O)C2[NH3+],0,GDB ChEMBL
191353,CC(C[NH3+])CC(C)C1C(=O)NC2(CC2)C1C,0,GDB ChEMBL
347007,CCC1(C(N)=[NH2+])CC([NH2+]C(C)C)CCN1,0,GDB ChEMBL
271532,Cc1c(I)cccc1C#CCC1COC1,1,GDB ChEMBL
342579,CC1=C(c2ccccc2)C2([NH3+])CCCC2C1,0,GDB ChEMBL
383808,CC#Cc1c(C)cc(C(C)C)cc1CC,1,GDB ChEMBL
61880,CC(C)C1(C)CCCC2CC21,1,GDB ChEMBL
300904,CCC(C#N)CC1C(CC(C)[NH3+])OCC1(C)C,0,GDB ChEMBL
93758,CC(O)C1=NC(C=O)CCCN1,0,GDB ChEMBL
31349,CC1CN=C(N)S(=O)(=O)[N-]C(=O)N1,0,GDB ChEMBL
316492,C#Cc1cc2cc(C)c(C)c(CC)c2cc1F,1,GDB ChEMBL
163844,CC1(C(=O)CO)CC(O)C1,1,GDB ChEMBL
148540,CC1CC1C(C1CCCC1)C1CC1C,0,GDB ChEMBL
157062,CC1=CC2NC2(C)CCOCCCCCC1,0,GDB ChEMBL
68504,CCN1CCN(C(C)C[NH3+])C(C)C1=O,0,GDB ChEMBL
268117,CNC(=O)NC=NC1COC1,0,GDB ChEMBL
280438,CC[NH2+]Cc1c(C)nc(=N)[nH]c1C#N,0,GDB ChEMBL
288560,NS(=O)(=O)OCC1CC(=O)NC(=O)O1,1,GDB ChEMBL
383086,C#CC(C)CCCc1ccc(Br)c2c1NCC2,1,GDB ChEMBL
362211,CC1(C#N)CC(C[NH3+])(C(=O)[O-])OC1CO,0,GDB ChEMBL
82127,CCC1[NH2+]CC2C(CC(=O)NC)OC12C,0,GDB ChEMBL
261398,CC1=CC(CC(=O)[O-])NS1(=O)=O,0,GDB ChEMBL
252579,Cc1ccc(Cl)c(C(C)C)c1C(=O)[O-],1,GDB ChEMBL
374938,CN=C1NC(C(C)(C)[NH3+])C(O)CN1C(N)=O,0,GDB ChEMBL
396776,OC1C=CC2(CCC1)CCC2,1,GDB ChEMBL
61783,COCC(O)C(C#N)[C-](C#N)S(C)(=O)=O,0,GDB ChEMBL
109475,CC(C)C(C)C[NH+]1CC(C)(C)C1,1,GDB ChEMBL
79575,COC1(C(C)O)C(N)C1([NH3+])CC(=O)[O-],0,GDB ChEMBL
142543,C[NH+]=C1CCC(CCO)N1,0,GDB ChEMBL
305525,CC1(C(N)=O)NC(=O)CNC1=O,1,GDB ChEMBL
259419,CC1Cc2cccc(N)ncnc(c2)O1,0,GDB ChEMBL
349450,CC(C([NH3+])CNC(N)=O)C1COC(=O)O1,0,GDB ChEMBL
70898,N=C(NCC(N)=O)NC(=O)Cn1nccn1,1,GDB ChEMBL
339038,Cc1cc(C(C)(C)O)c(C2CC2C)cc1Cl,1,GDB ChEMBL
384845,CCCOC1C=CCCC=C1,1,GDB ChEMBL
334070,C[NH2+]C1C(=O)C2(C)CCCC1CCC2,0,GDB ChEMBL
168449,CC(N)(C[NH3+])C1(CCCCO)C=CC(=O)N1,0,GDB ChEMBL
300154,[NH3+]C1C(O)C(CO)C2C[NH2+]CC12,0,GDB ChEMBL
84580,CC(O)CC1C2(O)C(=O)NCC2NS1(=O)=O,0,GDB ChEMBL
305072,CCCC([NH3+])C1(C)CCOCC1,0,GDB ChEMBL
382524,CNC(=[NH2+])C(NCC#N)C(C)O,0,GDB ChEMBL
342405,C[NH2+]C(C(=O)[O-])(C(=O)[O-])C1CC1(C)C,0,GDB ChEMBL
280990,CC(C)(C)[NH2+]CC1C=C2COCC2(O)C1,0,GDB ChEMBL
256015,C[NH2+]C1CC2C3(O)C([N-]S2(=O)=O)C(=O)OC13,0,GDB ChEMBL
15514,CCc1ncnc(C)sc(N)nc1O,0,GDB ChEMBL
48077,CCC1CC2CC(C)(C2)C[NH+]1C,0,GDB ChEMBL
271325,O=CC(=O)NC(=O)NCC1COC(=O)C1,1,GDB ChEMBL
217136,CC([NH3+])C1COC(C(=O)[O-])C1C#N,0,GDB ChEMBL
62791,CC(C1CC[NH+](C)C1)C1C(O)C1CO,0,GDB ChEMBL
263546,CCCC1[NH2+]CCC12CC1CC2C(O)C1CO,0,GDB ChEMBL
109746,COCCCC1C=C(C=O)C[NH2+]1,0,GDB ChEMBL
167286,CC(=O)NC1C[NH2+]CC1C=O,1,GDB ChEMBL
321428,CCCCCCC12CC(C)C([NH3+])(C1)C2,0,GDB ChEMBL
331148,CCC(C)[NH+](C)CC1(O)CC([NH3+])CNC1C,0,GDB ChEMBL
39938,Clc1cccc(Cl)c1C1C=CC2CC2C=C1,1,GDB ChEMBL
294208,CNC(N)=[NH+]C(CN)C1CC(=O)NC1C(=O)[O-],0,GDB ChEMBL
214435,CC([NH3+])C1C[NH2+]CC(C(CC[NH3+])CCO)C1,0,GDB ChEMBL
280428,CCC(C)C1C(C)C=C2C(O)CCC21C,0,GDB ChEMBL
259348,CCCC1(C)CC2(C(C=O)OC)CC1CC[NH2+]2,0,GDB ChEMBL
148743,C#CCOCc1cncc(Cl)c1C#C,1,GDB ChEMBL
349613,CCc1cnc(C2CC2)n1CC#CC[NH2+]C,0,GDB ChEMBL
379359,CCCc1cocc1OCC([NH3+])COC,0,GDB ChEMBL
140815,CCC1(CCC2CCCC=C2C)CC1,1,GDB ChEMBL
232053,C#CC(CC)[NH2+]C(C)C(NS(C)(=O)=O)C(C)O,0,GDB ChEMBL
339053,OC1CC1CCCCCC1CC1,1,GDB ChEMBL
380256,Cc1cc(=[NH2+])[nH]cc1C(N)=[NH2+],0,GDB ChEMBL
140110,CCC1CCC(O)C2[NH2+]C(C)CC2N1,0,GDB ChEMBL
305108,C[NH2+]Cc1cc2c(C3CC3)n[nH]c2s1,0,GDB ChEMBL
190810,COC1C(O)C2C1CC(=O)N2C,1,GDB ChEMBL
8753,Cc1ncc2n1CC1(COC1=O)C2,1,GDB ChEMBL
377917,CC(CC[NH3+])CNC(=O)c1csc(=O)o1,0,GDB ChEMBL
391758,C#CC(O)CC1(C)CCC(C)C1,1,GDB ChEMBL
298055,NC1C([NH3+])C(C(=O)[O-])NC(C[NH3+])C1NCCO,0,GDB ChEMBL
63147,CC(=O)C1CNC=[NH+]CC(O)C1,0,GDB ChEMBL
197192,O=CC(=O)N1CC(CO)C1,1,GDB ChEMBL
125643,COC(=O)CN1C(C)C1C=O,1,GDB ChEMBL
97761,C#CCCCc1c(C(C)C)ccc(Br)c1CC,1,GDB ChEMBL
30377,NC(N)=[NH+]CC(C(=O)[O-])N1CCNC1=[NH2+],0,GDB ChEMBL
23960,Cc1cccc(N)sc(C(N)=[NH2+])cn1,0,GDB ChEMBL
306336,N=C1CC(=O)OCC(CO)O1,1,GDB ChEMBL
398782,C#CCC1CCC(C)(CC(C)=O)C(=O)N1C,0,GDB ChEMBL
304849,CC1C2C=CC(CC(=O)[O-])OC12,0,GDB ChEMBL
288532,CCC1(Cc2c(C)ncn2C)CCC1,1,GDB ChEMBL
222191,CCC1CCC(CC)C([NH2+]C(C)C)C(C)(C)C1,0,GDB ChEMBL
113605,CCN1CC2C3C[NH2+]C(C3C)C(C)(N)C2C1=O,0,GDB ChEMBL
50927,COCC12C=C(C)CC[NH2+]C(C1)C2,0,GDB ChEMBL
99708,CC[NH+](CC)CC1CCC(O)(C(C)C#N)CC1,0,GDB ChEMBL
356507,C=C(C)CC(C)(OC(N)=O)C(N)=O,1,GDB ChEMBL
203202,C#CCN1CCCC2(CC2)C1=O,1,GDB ChEMBL
372165,Cc1n[nH]c(COCCC(C)C(C)[NH3+])n1,1,GDB ChEMBL
159875,C#CCCn1ccc(C(C)=O)c1,1,GDB ChEMBL
124782,CC(O)C12CC(O)CCC(C[NH2+]CCC1C)C2,0,GDB ChEMBL
222916,CC1CC[NH2+]CC2C(O)CCC12,0,GDB ChEMBL
277743,CCC1C([NH3+])CC2CC2C1CO,0,GDB ChEMBL
276264,O=C(c1oncc1-n1nccn1)N1CCC1,1,GDB ChEMBL
44082,NC(=O)CC1(N)CCC(O)C1[NH3+],0,GDB ChEMBL
161063,C#CC(C#N)C(N)C[NH2+]CCn1ccnn1,0,GDB ChEMBL
108161,CC([NH3+])C1C(O)C(NS(C)(=O)=O)C1(O)CO,0,GDB ChEMBL
64330,CC1C([NH3+])CCC[NH2+]CCC2C(O)C12,0,GDB ChEMBL
121485,CCC1CC=CCC#Cc2c(Br)cccc21,1,GDB ChEMBL
300207,CCC1NC(=O)C2C(CC(C)C)C1C[NH+]2CC,0,GDB ChEMBL
120522,COCC(N)=[NH+]CC1=CCCNC1=O,0,GDB ChEMBL
365712,CC(=O)C1C(C)NC2C(=O)OCCC21,0,GDB ChEMBL
354593,CCC(C)(CC)CC(C)CCC1CC(C)CO1,1,GDB ChEMBL
35427,CCC(=[NH+]C(C)C1CCC1)N(C)CC,0,GDB ChEMBL
127763,CCCC(=O)NCCCN(C)C=O,1,GDB ChEMBL
389462,CC12CC([NH3+])CC1C1OC(=O)NCC1[NH2+]2,0,GDB ChEMBL
334588,C#CC(C(CC)C[NH3+])C(C#N)(CC)C(F)(F)F,0,GDB ChEMBL
81431,Cc1noc(C(N)C[NH3+])n1,1,GDB ChEMBL
236015,NC(=O)COc1cnnnc1C1([NH3+])CC1,0,GDB ChEMBL
127517,CCCc1c(C)ncc2cc(Br)ccc12,1,GDB ChEMBL
304823,CC1CCC2CC(C)[NH+](C)CCC1CC[NH+]2C,0,GDB ChEMBL
196473,CC#CC1(C(C)CCCC)CCC1,1,GDB ChEMBL
344369,C#CCCOCC(CC[NH3+])CCC(C#C)CO,0,GDB ChEMBL
354140,CN1C2COC(=O)C(C2O)C(O)C1C(N)=[NH2+],0,GDB ChEMBL
126365,CNC(=O)COCC1(NC=O)CC[NH2+]C1C=O,0,GDB ChEMBL
337780,NC1C(CO)NCC(O)C([NH2+]C2CC2)C1O,0,GDB ChEMBL
31282,CNC(=[NH2+])C(O)CCS(N)(=O)=O,0,GDB ChEMBL
344387,C[NH2+]C(CN)C1(C)C(=[NH2+])NC(C)C(=O)NC1C,0,GDB ChEMBL
288531,CCC1(CCO)[NH+](CC(=O)[O-])C(C)CC1(C)O,0,GDB ChEMBL
221951,COC1CCc2cccc(C(C)(C)C)c21,1,GDB ChEMBL
271041,CC1=CCC#CCC([NH3+])C(C)CC1,0,GDB ChEMBL
228506,COC(C)(C#N)CS(C)(=O)=O,1,GDB ChEMBL
312190,CCCC(=O)C(=O)Cn1ccc(N)n1,1,GDB ChEMBL
5018,[NH3+]CC1NC2C(CC1O)OC(=O)C2O,0,GDB ChEMBL
269170,CCCC1CC(C)(C)C(C#N)N1,0,GDB ChEMBL
212560,CC(C)C1CC2(C)CCC=CCC=C1C2,0,GDB ChEMBL
194416,COCC1CC(CO)C1(C)[NH3+],0,GDB ChEMBL
77307,CC(C[NH3+])C([NH3+])C(O)C(N)C[NH3+],0,GDB ChEMBL
48156,O=COCC1CC2CC(=O)NCC1C2,1,GDB ChEMBL
181686,CCC1COCC[NH+]2CC1C1CCC12,0,GDB ChEMBL
314119,COCC1CCC(C#N)CC2CC12,0,GDB ChEMBL
81537,CC([NH3+])C(=O)NC12C[NH2+]CC1(O)C2CO,0,GDB ChEMBL
254922,CCC1C(C)C=C(C)C2CC(O)CC21C,0,GDB ChEMBL
304387,CC1(CCC2OCC(O)C2O)CC[NH2+]1,0,GDB ChEMBL
193286,CCc1ccc(C(N)(C[NH3+])CN(C)C)nc1,0,GDB ChEMBL
394367,[NH3+]C1C(O)CC2NC(=O)C3C2C13,0,GDB ChEMBL
107051,CCC(C)(CC)C(C)C(C)CCC(C)CC[NH3+],0,GDB ChEMBL
235168,CC([NH3+])C(=O)NCCCc1ccc(N)sc1=O,0,GDB ChEMBL
133938,CC([NH3+])CC(O)C1OC1C(O)C[NH3+],0,GDB ChEMBL
310319,CCC(O)C1[NH2+]CC1S(=O)(=O)NC,0,GDB ChEMBL
299995,CCC1CCC(C2CCCC2C)C(C(C)C)C1,0,GDB ChEMBL
249442,CN1Cc2coccc(=O)ccc(O)c2C1=O,0,GDB ChEMBL
126393,CC1(C(=O)C#N)CC[NH2+]CCC1O,0,GDB ChEMBL
298024,C=C(C=O)C1=CCN(CC(=O)[O-])C1,1,GDB ChEMBL
247607,CC1(C)CCC(C)(Cc2ccc(Cl)cn2)[NH2+]1,1,GDB ChEMBL
288518,CC(C)C1(O)CC(C(C)(C)C)C1,1,GDB ChEMBL
151803,C#CC(C)C([NH3+])CNC(CO)C(=O)N(C)C=N,0,GDB ChEMBL
115241,CN(C(N)=O)C(C)(C)C(O)CO,1,GDB ChEMBL
305843,CCCN1C(N)=NC(CO)CS1(=O)=O,0,GDB ChEMBL
33129,N=C(CCNC=O)OCC(=O)[O-],1,GDB ChEMBL
98528,CN(C)C(=O)CC([NH3+])Cc1nn[n-]n1,0,GDB ChEMBL
372132,CC1[NH2+]C2CCCC(O)CC23C=CCCC13,0,GDB ChEMBL
141970,CCC(=NC)NC(=O)NCCC#N,1,GDB ChEMBL
246987,CN1CC(O)COCC([NH3+])C1C[NH3+],0,GDB ChEMBL
122999,CCCOC1C2CCC2CC1C1CCC[NH2+]1,0,GDB ChEMBL
321795,CCC1(C(C)CO)C2[NH+](C)CCC21C,0,GDB ChEMBL
15549,CCCC1(C)CCCCC2=CCC(C)C21,0,GDB ChEMBL
9833,CC=CCNc1noc(C[NH3+])c1C,0,GDB ChEMBL
67867,CC#CC[NH+]=C(N)CCCCCC#CCO,0,GDB ChEMBL
2382,CCC#CC#CC([NH3+])CCCOC,1,GDB ChEMBL
370324,C#CC(O)(CC(F)(F)F)C(C(C)=O)C(C)CC,1,GDB ChEMBL
70083,CC(C)(C)C(=O)C[NH2+]Cc1ccsc1,1,GDB ChEMBL
365731,C#Cc1c(C)cc(CC2(C#C)CC2)cc1Cl,1,GDB ChEMBL
238021,COCCC1C=C(C)CN1C=O,1,GDB ChEMBL
247222,CCOCC(CO)NCc1snnc1C(C)O,1,GDB ChEMBL
312181,CC(C)OCC1(O)CC[NH2+]CCOC(=O)C1N,0,GDB ChEMBL
226228,O=C1OCC(=O)C2C3C1CCN23,0,GDB ChEMBL
246793,CCC1(CC)COC(=NC(C)C)C1C#N,0,GDB ChEMBL
146067,CC1C=CCC=CC(C(C)O)C(C)(C)C1,0,GDB ChEMBL
271531,C#CC(CC(C)O)C(=O)[O-],1,GDB ChEMBL
45041,C[NH2+]C1C2C(C)(O)CC(OC)C12C(C)[NH3+],0,GDB ChEMBL
163354,O=C1OCOC(CO)C1C1CN1,0,GDB ChEMBL
6500,C#CC[NH+](C)Cc1c(C#C)csc1CCO,0,GDB ChEMBL
189860,CC(O)C1CC(C[NH3+])N=C(N)N1C=O,0,GDB ChEMBL
48174,CCC1CC(O)C2CC23CCCC3C1,0,GDB ChEMBL
79485,NS(=O)(=O)CC1C2[NH2+]CC(O)C1C2C(=O)[O-],0,GDB ChEMBL
146016,N#CC1CC(C[NH3+])OC12CCC2,0,GDB ChEMBL
321812,[NH3+]CC1C2CCC(O)CC12CO,0,GDB ChEMBL
304603,O=C1NC(=Nc2ncns2)CN1CCO,0,GDB ChEMBL
171332,CCc1n[nH]c2c1C([NH2+]C)C(C(=O)[O-])N2,0,GDB ChEMBL
140257,NC1=NCC(C(=O)[O-])CC(=O)NC(=O)N1,0,GDB ChEMBL
374949,CCC(O)C1COC(N)=NC(C(=O)[O-])C(C)O1,0,GDB ChEMBL
251943,N#CCc1cc(F)c2cc[nH]c(=O)c2c1,1,GDB ChEMBL
46033,CCC1CC2C(=O)C3COC2C13,0,GDB ChEMBL
198799,Cc1cnc(C2CCCC2)c2cc(F)ccc12,1,GDB ChEMBL
305578,CCC12CC=C(CC(=O)NCC1C(=O)[O-])C2,0,GDB ChEMBL
98567,CC1CCC=CCC2CC(C)CC(C1)C2,0,GDB ChEMBL
265260,COCc1ccc(Cl)c2c1OC(C[NH3+])C2N,0,GDB ChEMBL
292288,CC(C(N)=O)n1nc(CC[NH3+])c(C#N)c1C[NH3+],0,GDB ChEMBL
33518,CC(CNC(=O)C[NH3+])Nc1nc(O)n[nH]1,1,GDB ChEMBL
274391,CCCC1CC(C)CC2C=CC(C2)C1,0,GDB ChEMBL
222920,C[NH2+]C(CO)C1C2OC1S(=O)(=O)NCCC2O,0,GDB ChEMBL
259390,CCC1(C)C=CC(C)CCC1O,1,GDB ChEMBL
367598,CCc1cc(C)c(C)c(C)ccc2cc1CC2,0,GDB ChEMBL
292180,CC1(O)CC2CC(CO)(C1)C(=O)OC1CC21,0,GDB ChEMBL
110197,C=CC1CC(O)CC2[NH2+]C1CC2C,0,GDB ChEMBL
228799,CC1=CC2CCCC(C)C2C1C(C)(C)C,0,GDB ChEMBL
112845,C[NH2+]C(C(C)C)C(CCC[NH3+])C(=N)OC,0,GDB ChEMBL
263438,C[NH2+]CC(C)C1OC(=O)C2C(OC)CC12O,0,GDB ChEMBL
273666,OC1COCC(O)C1,1,GDB ChEMBL
348581,CCC(O)C1CC(C(C)C)CC1C(C)(C)C,0,GDB ChEMBL
235224,N#CC1NC(C2COC2)CC([NH3+])C1O,0,GDB ChEMBL
79489,N=C(NC(=O)C[NH3+])NC1C2CC(O)C1O2,0,GDB ChEMBL
44614,CCc1cc(Cl)cc(Cl)c1C([NH3+])COC,0,GDB ChEMBL
2146,CC1=CCCC2C3C(=O)NCCC(C1)C23O,0,GDB ChEMBL
16476,C#CC1=CCN(C(=O)C(C)C)C1=C,0,GDB ChEMBL
269224,COC1C([NH3+])CC[NH2+]C12CC2,0,GDB ChEMBL
63149,CC#Cc1ccc(CC(C)O)c(Br)c1,1,GDB ChEMBL
260125,O=C([O-])c1cc([N+](=O)[O-])c(=O)ncn1,0,GDB ChEMBL
273801,C#CCC1CC[NH2+]C(C)CC2=CC1C(C)C2,0,GDB ChEMBL
115908,CNC(=O)c1c(OC)cc2c(C)c(=N)c(=O)c1-2,0,GDB ChEMBL
174061,CC(=O)Nc1ncnc(C=O)c1C=O,1,GDB ChEMBL
274116,CC1CC([NH3+])C2(CO2)C(O)C1,0,GDB ChEMBL
104404,CCC(C=C(C)C)=CC=CCOC,1,GDB ChEMBL
204554,C#CCCC1(C)C2CC(C=C2C)C1CC,0,GDB ChEMBL
61871,C#CC1Cc2c(CC(C)C)ccc3c2C1CC3,0,GDB ChEMBL
290500,COC(CO)C(=O)NC(=N)C=O,1,GDB ChEMBL
184879,C#CCCCC1=CNC(=O)CCC1[NH3+],0,GDB ChEMBL
136127,N#CC1CC(C=O)(c2ccc(F)cn2)N1,0,GDB ChEMBL
40021,CCC([NH3+])C1(C)C(OC)CN1C,0,GDB ChEMBL
135848,CC(C)C(=O)N(C)CC1CN1,1,GDB ChEMBL
59204,CCCCC1(OC)CC(C)(O)C2C(C)C21,0,GDB ChEMBL
207659,CC(C)OCCc1n[nH]nc1CCCC[NH3+],0,GDB ChEMBL
264934,CC12CC(O)CN1C2C1CNC(=O)C1[NH3+],0,GDB ChEMBL
137442,O=Cc1cccc2c(F)cc(F)c(O)c12,1,GDB ChEMBL
379862,CC1(C)OCC2OC(=O)CC[NH2+]C1C2C(=O)[O-],0,GDB ChEMBL
64293,CCCC1C2C(C(C)OC)C=CC12O,1,GDB ChEMBL
161047,C#CC(C)(C)c1ccc(Br)cc1CCC,1,GDB ChEMBL
243920,CNC(=O)N(C)C1C(O)C(O)C2OC21C,0,GDB ChEMBL
223552,CCCC1C[NH2+]C2(CC2)CC1COC,0,GDB ChEMBL
89708,CCC1CNC(=O)NC(S(N)(=O)=O)CO1,0,GDB ChEMBL
151827,CCC1=CC(O)CC(C)C2(C)CC(C)CC12,0,GDB ChEMBL
53281,CCC12C=Cc3cnc(C)cc3C1C2,0,GDB ChEMBL
222824,C#Cc1nccc2c1C1C(CC)C1C2,0,GDB ChEMBL
331478,COC(=O)C(CCc1ncc(C=O)[nH]1)N(C)C,0,GDB ChEMBL
113514,CCCCC1C2CC[NH+]1CC(N)=[NH+]C2,0,GDB ChEMBL
330531,NC(=O)NC1=NCC(O)C1,0,GDB ChEMBL
397031,CC1=CC(C=O)C(CO)COC1=O,1,GDB ChEMBL
22839,CCC1CC2CC(C)CCC(=O)CCC2C1O,0,GDB ChEMBL
2398,CN(CC(O)Cc1n[nH]c(=N)cc1N)C(N)=[NH2+],0,GDB ChEMBL
251915,N=C1NC(CO)(CC[NH3+])C2CCS(=O)(=O)N12,0,GDB ChEMBL
240414,CC1C2CCCC(C2)C(C)(C)C1C(N)=O,0,GDB ChEMBL
225174,C#CC1C(O)C12COCCN2C(=O)C[NH2+]C,0,GDB ChEMBL
355397,CCCC1=CCOCCC(C(N)=[NH+]CC)C1,0,GDB ChEMBL
150141,COC(=O)C(CC(=O)C(=O)[O-])CC(O)C#N,0,GDB ChEMBL
296657,C[NH2+]C1CC(N)=[NH+]CC2(CO)CCOC2C1C,0,GDB ChEMBL
79290,Cc1cc(C(=N)NC(=O)C2CN2)no1,1,GDB ChEMBL
224011,CC(N)(C#N)C1CC1[NH2+]CCC(=O)[O-],0,GDB ChEMBL
247383,O=C1NCC2C1CCS(=O)(=O)NC1C(O)C21,0,GDB ChEMBL
148170,CC([NH3+])C(C(=O)[O-])C(C(N)=O)C1CN1,0,GDB ChEMBL
338875,C[NH2+]CC1C2COC1C(O)C2,0,GDB ChEMBL
313343,CC[NH2+]CCC(=O)C1CCCC1(C)C(F)(F)F,0,GDB ChEMBL
320745,CC12CC(O)C(C3CC3)[NH+](C1)C2,0,GDB ChEMBL
228368,CC1CCCOC2C=C1C=CCCC2,0,GDB ChEMBL
94647,CCCC1CC2CC3CC12C[NH2+]3,0,GDB ChEMBL
201677,CC1CC(OC(C)(C)C)C(C)([NH3+])CCC[NH2+]1,0,GDB ChEMBL
33126,CC1C2CC3C(N13)C2(C)CC(N)=O,0,GDB ChEMBL
204373,CC1CC(c2ncn(C)n2)NCC(=O)O1,0,GDB ChEMBL
311626,CCOC1CC2NC(COC)C[NH2+]C1C2(C)O,0,GDB ChEMBL
83089,CN1CC(=O)OCC2C(C(=[NH2+])N2C)C1=O,0,GDB ChEMBL
95495,CC(=O)N1CC(=O)N(C)C(=N)C(N)COC1=O,0,GDB ChEMBL
28980,CCC1C([NH2+]C(C)(C)CO)CCC(CO)C1C,0,GDB ChEMBL
12730,C=CCC1CC=CC(C)C(C)[NH+]1C,0,GDB ChEMBL
324257,[NH2+]=CNC1CC(O)(CNC(=O)OCC[NH3+])C1,0,GDB ChEMBL
188082,CC(NC(=[NH2+])OCCO)C(N)=[NH2+],0,GDB ChEMBL
16505,CCC1(C)C(C(C)C)CCC1(C)C,1,GDB ChEMBL
204856,COc1c(I)c(C(=O)[O-])[nH]c(=O)c1N,0,GDB ChEMBL
159882,CC1CC2(O)CC(CCC(C)C2C(F)(F)F)[NH2+]1,0,GDB ChEMBL
263515,CCC(C)c1cccn1CC,1,GDB ChEMBL
276043,CC(C)[NH+]1CCC(C)(C[NH2+]CC(C)(C)C)C1C,0,GDB ChEMBL
120683,Cc1c(CCC#N)c(CC#N)cn1C(C)(C)C,1,GDB ChEMBL
323942,C#CC1=CCC(c2ccc(I)cc2)C1,1,GDB ChEMBL
41341,CCOC1(CC)CCC=C(CCC=O)C1,0,GDB ChEMBL
393554,C#CC(C(C)C[NH3+])C1C=CC(O)C1,0,GDB ChEMBL
33838,CCC1CC2C[NH2+]C1C2CC(C)CC(F)(F)F,0,GDB ChEMBL
69613,[NH3+]CC1CNC(=O)C(O)C1,0,GDB ChEMBL
202488,CC12CCOC(C(O)C1C[NH3+])C2O,0,GDB ChEMBL
273411,CN(CC[NH3+])C(=O)C(O)C(N)CNC=[NH2+],0,GDB ChEMBL
395152,O=CNC1=NCC(CCCO)N1C=O,1,GDB ChEMBL
346551,CNC(=O)CN=C(C#N)N(C=O)C(C)(C)CO,0,GDB ChEMBL
308241,CCC(C)CCC12CCC(CC1)C2C(F)(F)F,0,GDB ChEMBL
185995,C=Cc1c(C)cc2occc2c1O,1,GDB ChEMBL
119834,CC(O)C1OC1(CO)C([NH3+])C(=O)[O-],0,GDB ChEMBL
203474,C[NH2+]CC=C(C)C=CC1CC1(C)C,0,GDB ChEMBL
120826,C=CCC(CC)(CCC)OC(C)C,1,GDB ChEMBL
109225,COC1CC=C2C=CCC2CC(O)C1,0,GDB ChEMBL
70160,C[NH2+]CC12OC1CC1(CO)CC2C(C)[NH2+]1,0,GDB ChEMBL
221164,CNC(CO)(C(N)=O)C(N)C[NH3+],0,GDB ChEMBL
215684,CCC(C[NH3+])CC1([NH3+])CC[NH2+]C(C(N)=O)C1,0,GDB ChEMBL
120346,CC1CCC(C(C)[NH3+])(C([NH3+])CCNC(N)=O)C1,0,GDB ChEMBL
355812,CCC1CC(C)=C(C(C)C)C[NH+]1C,0,GDB ChEMBL
97786,CCCC1(C)C2CC(C)=CC1C(C)C2,0,GDB ChEMBL
375540,CCC1COCC(N)=[NH+]C1C,0,GDB ChEMBL
147595,C#CC(O)CC1CNC(=O)C2NC2C1[NH2+]C,0,GDB ChEMBL
96049,Cc1cc(F)nc(C)c1C1CC(C(C)C)C1,1,GDB ChEMBL
388442,NC1C(=O)OC(CO)C(CO)[NH2+]CC(O)C1N,0,GDB ChEMBL
318806,CCNC(=[NH2+])C1C(C)[NH2+]C2CN(C)CCC21,0,GDB ChEMBL
39701,CCC1C=CCC(CCCC=O)C1,1,GDB ChEMBL
250520,CCCCCC1C2CC(O)CCC1(C)C(C)C2,0,GDB ChEMBL
66748,CCC(O)C1CC1(C)CC,1,GDB ChEMBL
233886,C#CCC(CO)C1CC1,1,GDB ChEMBL
112532,NC1=[NH+]C2CCC(C2)CC(O)C1C[NH3+],0,GDB ChEMBL
130401,CC(Nc1nc(=O)ccnc1[O-])C(C)(C)CO,0,GDB ChEMBL
328936,C#Cc1c(CCC#CC)ccc(C)c1Br,1,GDB ChEMBL
108169,CCc1sc(CO)cc1C,1,GDB ChEMBL
136045,C#CCC(C[NH3+])C(CC)C[NH3+],0,GDB ChEMBL
271578,CC1OC(=O)CCC2CC([NH3+])C1C21CN1,0,GDB ChEMBL
240795,NC(=[NH2+])NC1C(O)CC(O)C([NH3+])C1O,0,GDB ChEMBL
227557,CNC1CNC(C(NC(=O)CO)C(C)O)C1=O,0,GDB ChEMBL
54809,COCC(=O)NC1CC1(C=O)CC#N,0,GDB ChEMBL
163840,N=c1nc(CCCOCC[NH3+])c([O-])n[nH]1,0,GDB ChEMBL
174844,CCCC(C)C1(C)CC2CCC1C(CC)C2O,0,GDB ChEMBL
278881,NC(=[NH2+])N1CCN=C1COC1CC1,0,GDB ChEMBL
296376,NCC1(CC(=O)[O-])[NH+]=CNC1CO,0,GDB ChEMBL
227937,COCC1(O)C(=O)NC(=O)C(O)C([NH3+])C1CO,0,GDB ChEMBL
375156,CCC1[NH2+]CCC(O)CCC([NH3+])CCC1(C)[NH3+],0,GDB ChEMBL
118150,CCCS(=O)(=O)NC1CC1[NH3+],0,GDB ChEMBL
345428,CC(C[NH3+])CC(=O)NC(C(C)O)S(=O)(=O)[O-],0,GDB ChEMBL
199484,CCCCC12C[NH+]3CCNC1(C3)C2,0,GDB ChEMBL
274652,CC(CO)CC(C)C1CC[NH2+]1,0,GDB ChEMBL
235919,C#CCCCC1(O)C[NH+]2CCCC1CC2(C)C,0,GDB ChEMBL
77073,CC(=CNC(=O)CCO)C1(C)CC1,0,GDB ChEMBL
322883,CC1CC[NH+](C)C2C3C=CCC(CC3)CC12,0,GDB ChEMBL
252301,CC1CCC2CCC1C(C)(CC1CC1)C2,0,GDB ChEMBL
320255,CC1=CC=C(CCC(C)C)C(C)NC1=O,0,GDB ChEMBL
140144,C#CC(O)C1(C[NH2+]C)OC(N)=NC1CO,0,GDB ChEMBL
263862,NC(=O)C1C2CN(C=[NH2+])C(CCO)C21,0,GDB ChEMBL
316435,CS(=O)(=O)N(CC[NH3+])C1CC(O)C2OC21,0,GDB ChEMBL
199455,CNC(=O)COCc1ncon1,1,GDB ChEMBL
51375,Cc1c[nH+]c(CCC(C)(C)[NH3+])[nH]1,0,GDB ChEMBL
350684,C#CC1[NH2+]C2CCCC2OC1C,0,GDB ChEMBL
347923,CCCCC1C(C)c2c(C)ccc(N)c2C1C,0,GDB ChEMBL
225042,CCC1C([NH3+])C2=CCCN1CCCCCC2,0,GDB ChEMBL
12739,CC(C)C(O)C1CC2C(C=O)N2C1=O,0,GDB ChEMBL
330567,C#CC(C)(C)Cc1c(N)c(C)c(Cl)c(O)c1Cl,0,GDB ChEMBL
283388,CN1CC2(CCO)OC(=O)C(N)(CO)C12,0,GDB ChEMBL
151835,CNC(=[NH2+])Cc1ccc(O)cc1,0,GDB ChEMBL
18807,CC1OC(=O)CC2CN2C(C)C1C=O,1,GDB ChEMBL
148538,CN1CC2[NH2+]CC(CC(N)=O)C=CC21C,0,GDB ChEMBL
277660,CCCC1C(C)CC(CC)C2CC(C)(C)CC12,0,GDB ChEMBL
107828,C#Cc1cccnc1OC,1,GDB ChEMBL
40049,C#CC1OC(C)C(C(=O)[O-])O1,1,GDB ChEMBL
156718,CC1CCC(C2(O)C(CO)C2C(=O)[O-])O1,0,GDB ChEMBL
313350,CC(C)(C)CCC(CC[NH3+])c1occc1C#N,0,GDB ChEMBL
288547,C#CC(=[NH2+])NC1CCCCOCC1,0,GDB ChEMBL
258017,CN=C(OS(N)(=O)=O)C1(C(N)=O)CC1,1,GDB ChEMBL
322856,CC12CC3CC4[NH2+]C3C1CCCC42,0,GDB ChEMBL
316255,COC1C2NC(C(N)=O)(C2=O)C1C(C)O,0,GDB ChEMBL
363222,C[NH2+]CC1(O)CCC(=N)OC1CCC(F)(F)F,0,GDB ChEMBL
352680,CC(=O)N(C1CCC1)C1(C=NO)CCOC1,1,GDB ChEMBL
259611,CCC1(CO)[NH2+]C(C)(C)C(C=O)C1COC,0,GDB ChEMBL
356811,C=CC=CNC(=[NH2+])N(C)CCCO,0,GDB ChEMBL
120673,CCc1c(N)cc(C#CC2CCC2)cc1F,1,GDB ChEMBL
312827,CS(=O)(=O)N1CC([NH3+])C2CC2CC1=O,0,GDB ChEMBL
292671,COC1(C(=O)[O-])CNC1=N,0,GDB ChEMBL
341907,CC1(CC2COCO2)CC(O)CCC[NH2+]1,0,GDB ChEMBL
279959,CNS(=O)(=O)C1C2CN(CCO)CC1C2[NH3+],0,GDB ChEMBL
378940,CC(=O)Nc1cc(N)nc(=O)n1CC#N,1,GDB ChEMBL
40319,CC1C(=O)NC2CC([NH3+])C(O)C2N(C=[NH2+])C1C,0,GDB ChEMBL
70134,CC(C[NH3+])C(=O)Nc1cnnc(=O)nc1,0,GDB ChEMBL
45997,COC1CCC2CCC=CCC([NH3+])C21,0,GDB ChEMBL
372678,CCc1c(C)cc(C2CC2)c(I)c1I,1,GDB ChEMBL
33507,[NH2+]=C1NC2C(O1)C2C(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
230741,CCN1C(C(C)C(=O)[O-])C1(C#N)C(=O)[O-],0,GDB ChEMBL
130375,CC1(C)C(=O)COC1C#N,1,GDB ChEMBL
34268,CC(C)S(=O)(=O)CC(=[NH2+])NCC1CC1,0,GDB ChEMBL
391688,[NH3+]CCNC1CC([NH3+])C(O)C12CO2,0,GDB ChEMBL
383716,CCCCC#CCCC1CC2C=CC1CC2,1,GDB ChEMBL
56618,CCC1CCC2C[NH+]2C2CC1CCCC2O,0,GDB ChEMBL
292975,CC1(CO)COC(=O)C1(O)CC#N,0,GDB ChEMBL
345756,C=CC1CC(CCC)C=CCCO1,1,GDB ChEMBL
353523,COC(=O)c1cc(O)c(N)c(Cl)c1O,1,GDB ChEMBL
95871,C#CCC(C)c1cc(C=O)cc(F)c1[O-],0,GDB ChEMBL
215467,CC([NH3+])C(C)c1cc(F)nc(O)c1F,0,GDB ChEMBL
375898,CC1CCCC2CC[NH+](C2C)C(C)(C)C1CO,0,GDB ChEMBL
61756,COC1(CO)CNC(=[NH2+])OC1CC[NH3+],0,GDB ChEMBL
26399,CC1CC(=O)OC2(C(N)C2[NH3+])C1O,0,GDB ChEMBL
395973,CC1CC(=O)OC12C([NH3+])CC2O,0,GDB ChEMBL
200600,CC1c2cc(F)c(F)c(F)c2C2CCCC12,1,GDB ChEMBL
8649,CNC=Nc1cc(OC)c(C)cc1O,1,GDB ChEMBL
251423,CC1C2COCC(CC[NH3+])N12,0,GDB ChEMBL
161074,CC1=CC(=O)C2C(C)CC1C2(C)CC(C)O,0,GDB ChEMBL
13189,COCC#CC1OC(=O)C(C)CCCC1C,0,GDB ChEMBL
372487,CCCC(C)[NH2+]C(C)c1c([O-])ccc(Br)c1Br,1,GDB ChEMBL
87503,CC1C(NC=O)=NCC(C#N)C2CCCN12,0,GDB ChEMBL
94617,CCOC1(C[NH3+])C(O)C1OC(N)=O,0,GDB ChEMBL
62022,C#CC(C1CCC1)[NH+](CC)CCCC,0,GDB ChEMBL
115246,N#CC1C(OCC(=O)[O-])C[NH2+]C2CC21N,0,GDB ChEMBL
165950,C#CCCc1c(C(F)(F)F)ccn1C(C)C,1,GDB ChEMBL
356826,CC1NC(C)C2CC(O)CC[NH2+]C2C1=O,0,GDB ChEMBL
21432,CCC(=O)C1C[NH2+]C(C(C)(C)O)C1CO,0,GDB ChEMBL
50322,CC(C#CC(O)CCCOS(N)(=O)=O)C=O,1,GDB ChEMBL
80251,CCNC(N)=[NH+]C(CN)(CN)CC(N)=O,0,GDB ChEMBL
355131,C[NH2+]C1CC(N)=[NH+]C(C=O)CC1O,0,GDB ChEMBL
38163,CC1(C)CC2CC2(C)C1c1ccccc1,1,GDB ChEMBL
97112,CN(C=O)C(C=O)C[NH2+]C1CC1,1,GDB ChEMBL
398173,NC(=O)COC1C(O)CC2NC21C[NH3+],0,GDB ChEMBL
391640,CCC[NH2+]CCOCC1OC1S(N)(=O)=O,0,GDB ChEMBL
219543,C#CC1CCOC2CNC(=O)C2(C)C1COC,0,GDB ChEMBL
207975,CN1CC(O)CC(O)(C(N)=[NH2+])C1=O,0,GDB ChEMBL
244453,CC1=C(C#N)C(O)(C(=O)[O-])CCNC(=[NH2+])N1,0,GDB ChEMBL
211160,CCC1=CCOC2CC(C)(C)CC2C1,0,GDB ChEMBL
275472,COC(=O)C(C)OS(N)(=O)=O,1,GDB ChEMBL
385597,OC1C2CCCCCCOC12,0,GDB ChEMBL
140156,[NH2+]=c1[nH]c(Cl)cc(CCCO)c1CC[NH3+],0,GDB ChEMBL
85860,COC1C(O)C2NC(=O)C1(O)C2[NH3+],0,GDB ChEMBL
277110,CCC1(CC(C)C(C)(C)C)CCCCOC1=N,0,GDB ChEMBL
53881,C#CCCC1(C(C)=O)C(C(=O)[O-])C1(C)C#N,0,GDB ChEMBL
278829,O=C([O-])C1[NH2+]CC(n2ncnn2)C1O,0,GDB ChEMBL
318758,CCC1CCC2CC(CN3CC3)C(C2)[NH2+]C1,0,GDB ChEMBL
349989,N=COCc1ccnn1CC(=O)[O-],1,GDB ChEMBL
112478,Nc1onc(COCC(=O)[O-])c1N,1,GDB ChEMBL
204376,CCCC(C)C1CC(O)C[NH+](C2CCCC2)C1,0,GDB ChEMBL
252094,CN=C1OC(C)C(=O)N1C(C)=N,1,GDB ChEMBL
99817,CC1Cc2cc(I)c(OC3CCC3)cc2C1,1,GDB ChEMBL
31989,CC(C[NH3+])C1C(CC#N)N1C(=O)C[NH3+],0,GDB ChEMBL
3960,CCCC(C)C1CC(C(C)CC)C(C)(C)C1O,0,GDB ChEMBL
225010,CC1=CCCC(O)C(C(C)C)CC1[NH3+],0,GDB ChEMBL
302592,Clc1nccc2c1OCCC2,1,GDB ChEMBL
192572,CC(N)C(C1CCOCC(C)(CO)C1)[NH+](C)C,0,GDB ChEMBL
24740,CC[NH2+]CCN=C(N)C(=O)NC(N)=O,0,GDB ChEMBL
203542,N#CC1(C(N)=O)C(=O)[N-]C2C(=O)OC21,0,GDB ChEMBL
280436,CCC(O)C1[NH2+]CCN2C(C(=O)[O-])C12C,0,GDB ChEMBL
357615,C[NH2+]CC(O)CC(=O)NC(CO)c1c[nH]nn1,1,GDB ChEMBL
42602,CCNC(=O)C1COC2CC21[NH3+],0,GDB ChEMBL
362691,CCCC1[NH2+]CC(C(C)C(C)C2CC2)C1C,0,GDB ChEMBL
151102,CCN1CCC[NH2+]CCNCc2coc1c2,0,GDB ChEMBL
263413,CCC1CCC(C)(COC)C(OC)O1,1,GDB ChEMBL
277912,CC1CC2CC(CC[NH3+])(CCCC(C)C2O)C1,0,GDB ChEMBL
287005,C[NH2+]CCc1c(Br)c(Br)c(Br)c2c1OCC2,0,GDB ChEMBL
95578,CCC1Cn2nnc(CCNC=O)c2N1C,0,GDB ChEMBL
336620,CN1CC(OC(=N)OCC(N)=O)C1,1,GDB ChEMBL
295866,C#CCCc1nc2ccsc2c(C[NH3+])c1Cl,0,GDB ChEMBL
243936,C[NH+](C)CC12CC3CC(CC3(C)O)C1C2,0,GDB ChEMBL
89115,CCC1C(C(O)CO)N1C1CC=CC1,0,GDB ChEMBL
132549,CC(C)C1C2C=Cc3c(Br)ccc(c32)N1C,1,GDB ChEMBL
180792,N=CNc1nccc(C=O)c1F,1,GDB ChEMBL
59220,CCCC(CC)C1=CC2CN2C1,1,GDB ChEMBL
247230,CCC1CCCC2CCCC=C(C2)C1CC,0,GDB ChEMBL
221363,CCNC(=[NH2+])C1CC(C)(C)[NH2+]C(CC)CO1,0,GDB ChEMBL
304142,COCC1(C)CC[NH+](C)CCC1(C)C(C)(C)C,0,GDB ChEMBL
140736,Cc1ccc2cc(I)c(C)cc2c1,1,GDB ChEMBL
121534,Cc1cc(I)c2cccc3c2c1CCC3,1,GDB ChEMBL
343215,C[NH+](C)CCC1(O)CC(C)(C)C1,0,GDB ChEMBL
346522,CCOC1CN=C(N)C1=NO,0,GDB ChEMBL
209852,CCN1CC(=N)NC(=O)C(O)C(C)C1(C)C#N,0,GDB ChEMBL
168454,CC(=O)[N-]S(=O)(=O)OCCc1cn(C)nn1,0,GDB ChEMBL
120399,Cn1cc(C=O)c(C#N)cc1=O,1,GDB ChEMBL
308697,Cc1cccc2c1CC1(C=C2)CC([NH3+])C1,0,GDB ChEMBL
218321,CC#CCC1CC12CC1CC[NH+](CC)C2C1,0,GDB ChEMBL
349503,CCC(C)(C)CC(C)C1CCCC1C,0,GDB ChEMBL
146041,[NH3+]CCC1CC(CC2=NCC([NH3+])C(=O)N2)C[NH2+]1,0,GDB ChEMBL
260576,C=CC1(CC2CCCC2)CC1CC,1,GDB ChEMBL
855,CC[NH2+]CCC1(C)C(CC)COC(C)OC1C,0,GDB ChEMBL
127278,N#CCc1[nH]ncc1CS(N)(=O)=O,1,GDB ChEMBL
383276,CCCCC[NH2+]CC1CC(=O)CC12C[NH2+]C2,0,GDB ChEMBL
318359,NC(=O)C1(C(=O)CO)CNC(=O)N1,0,GDB ChEMBL
253566,CC1(C(O)(C#N)CCO)COCC1C(=O)[O-],0,GDB ChEMBL
190442,CCC(C)Cc1ccc(Br)c(Br)c1,1,GDB ChEMBL
140266,CC1(O)CC(S(=O)(=O)[N-]C(=O)CO)C1,0,GDB ChEMBL
18947,CN(C)C(C(N)=O)C(O)c1c[nH]c(CC#N)n1,0,GDB ChEMBL
330549,COc1cc(N)c2cc(C)c3oncc3c2n1,0,GDB ChEMBL
313713,CC1C[NH2+]C2CC(O)C(C)C2O1,0,GDB ChEMBL
79554,CC(N)=[NH+]C1CC(=O)C(C(C#N)C(=O)[O-])C1,0,GDB ChEMBL
59671,CN1CCC2CCNC(C#N)(C1)C2(O)CC[NH3+],0,GDB ChEMBL
62103,C#CC1([NH+](C)C)CC(CO)CC(C)C1O,0,GDB ChEMBL
177269,CC1C(OC(N)=O)C(NC=O)CC2OC21,0,GDB ChEMBL
62054,CC1CC([NH3+])(CO)C=C1CCNC(=O)C[NH3+],0,GDB ChEMBL
286142,COc1ccc(N2CC2)c(I)c1,1,GDB ChEMBL
248278,COC1C(C#N)=CCC2CC(C)C1C(C)[NH2+]2,0,GDB ChEMBL
252566,CCCCCC1CC(C)C2CC1(C(C)C)C2,0,GDB ChEMBL
267881,NC(=O)C([NH3+])CCCCNCS(=O)(=O)[O-],0,GDB ChEMBL
201091,CC(C)C1CCC2(C)CCC3[NH2+]CCC3C1C2,0,GDB ChEMBL
225222,C#CCCC1CC2[NH2+]CCC2C1C,0,GDB ChEMBL
175703,CCC(C)CC1(O)C(O)C1(C)NCC[NH3+],0,GDB ChEMBL
395135,CC1NC(=O)OC2(CC2)C1O,1,GDB ChEMBL
334022,C#CC1OC2(C)CCC(C2)[NH+](C)C1CC,0,GDB ChEMBL
238588,CCC(C)([NH3+])C1(C#N)CCC1CC(=O)[O-],0,GDB ChEMBL
290562,CC1CC2(C(N)=[NH+]CCO)CCCC(O2)C1=O,0,GDB ChEMBL
269206,COCC1(O)C(=O)NC(C)C2CC21C,0,GDB ChEMBL
61786,CC(C)C(=O)NC(C(N)=O)c1cc[nH]c1,1,GDB ChEMBL
284663,C=C(CO)C(CCC(C)=O)N1CC1,1,GDB ChEMBL
366903,C[NH2+]CC(C)(O)C(=O)Oc1ncc(O)cn1,1,GDB ChEMBL
382081,CCCC1CC1C1C2C[NH2+]C1C(C)C2,0,GDB ChEMBL
309177,C#CC[NH+]=C(N)C1CN(C)C(=O)C1[NH+]=C(N)N,0,GDB ChEMBL
48474,COCCCC1CC(C2=CCCC(C)C2)C1,0,GDB ChEMBL
269370,N#CC1(C(=O)[O-])OCC(O)C1O,0,GDB ChEMBL
311632,CCC1([NH2+]C)C(C(=O)[O-])C1(O)C(=O)CO,0,GDB ChEMBL
121520,CCCC1(CC(C)C)C(OC)C(C=O)N1C,0,GDB ChEMBL
297014,CC(CCC#N)CC(C)(C)CC([NH3+])CC[NH3+],0,GDB ChEMBL
26432,C#CCC(C)CC(O)C(COC)C(C)C,0,GDB ChEMBL
283252,CC(C)C1CCCC(C)C(C(C)C)C(C)C1,0,GDB ChEMBL
182507,C#CC1C([NH3+])C(CO)NC1C(CO)OC(C)=O,0,GDB ChEMBL
286174,CCCC1C=CC2=C(C)CCC21C,0,GDB ChEMBL
132269,C[NH2+]C1COC2C(C)C(C)OC12,0,GDB ChEMBL
23501,CC(CCC#N)[NH2+]CC=O,1,GDB ChEMBL
333100,Nc1nc(O)cc(CNC=O)c1N,1,GDB ChEMBL
249401,C=C1CC(=C(C)C)CC1CCCC,1,GDB ChEMBL
310112,CCC1C2CCC(C2)OC1(C)CC(C)[NH3+],0,GDB ChEMBL
243321,CCC12CC(O)CC3CC1C2[NH+]3C,0,GDB ChEMBL
339243,C[NH2+]C1c2cc(N)c(Cl)nc2CC1(C)O,0,GDB ChEMBL
187190,CC(=O)NC1CC(=O)NC(=N)C1(C[NH3+])CO,0,GDB ChEMBL
338985,N#CC(=N)NCC1NC(=O)OC1CO,0,GDB ChEMBL
388437,Cc1cc(Cl)cc(Cl)c1CC(C)C,1,GDB ChEMBL
251931,CN(CCC#N)CCS(=O)(=O)[O-],0,GDB ChEMBL
174272,Cc1cc(C=O)c(Br)c(CO)c1[N+](=O)[O-],1,GDB ChEMBL
218562,CC(C)C=CCc1ccc(Cl)cc1,1,GDB ChEMBL
343954,COCCS(=O)(=O)CC(C)O,1,GDB ChEMBL
281783,CC1OC(C#N)CN(C(N)=[NH2+])CC1=O,0,GDB ChEMBL
81503,COC(=O)C(CO)C1(O)CC1C=O,0,GDB ChEMBL
28300,CCC([NH3+])CC12C[NH2+]CC1C(C)(O)CC2O,0,GDB ChEMBL
277878,CCCCCc1nc(C)c(I)c(I)c1CCC,1,GDB ChEMBL
360798,CCNC(=O)CCC1N=COC(C)C1(C)C=O,0,GDB ChEMBL
273814,CCC(=O)C1CC(C2CC2)C(CC)C(C)O1,0,GDB ChEMBL
150104,COC(=O)C(C)(C#CCC[NH3+])OCC#N,0,GDB ChEMBL
318079,CCCC1(C)CN(C(=[NH2+])NC)CC1OCC[NH3+],0,GDB ChEMBL
383818,CC(CO)C1C(O)C1C(=O)[O-],0,GDB ChEMBL
207709,CC1C(CO)OC(C)(C)C1C,0,GDB ChEMBL
273679,NC1CN(CC2CC2O)CC[NH2+]C1C(=O)[O-],0,GDB ChEMBL
334133,C#CC1(C2CCC(=O)O2)CC(CCC)[NH2+]1,0,GDB ChEMBL
64313,CCC(O)(CC[NH2+]C)C(C)(CC#N)C(C)O,0,GDB ChEMBL
148813,CC[NH2+]C(C)(C)CCC(C)(C)C,0,GDB ChEMBL
130856,C#CCCn1c(C)ccc1C(C)C,1,GDB ChEMBL
225442,N#CC1OC12C(=O)[N-]C(C[NH3+])C2O,1,GDB ChEMBL
362697,C[NH2+]CC1(C)C(C)CCC2CC([NH2+]C)CCC21,0,GDB ChEMBL
16028,C#CC[NH+]=C(N)C1C(COC)C1(C)CC,0,GDB ChEMBL
221117,C#Cc1c(C)cc(F)c2ccsc12,1,GDB ChEMBL
24712,COCC1(N)CC(C)(C(=O)[O-])C(O)C1[NH3+],0,GDB ChEMBL
126405,CC1C2CCCC1CC(C)(C=O)C2,1,GDB ChEMBL
249808,O=C([O-])C1CC2CC1C(O)C(O)CO2,0,GDB ChEMBL
263506,CC12CC[NH2+]CC(CC(=O)C(=O)CC1C#N)C2,0,GDB ChEMBL
129855,CCCC(CC)(C1COC1)[NH+]1CC=CCC1,0,GDB ChEMBL
50088,CCC(=O)c1scc(C#N)c1CO,1,GDB ChEMBL
12800,CCCc1ccccc2c(cnc1)CCC2=O,0,GDB ChEMBL
122908,N#CC1OC(=N)C1C(NC(N)=[NH2+])C(N)=O,0,GDB ChEMBL
344395,O=COC1C(O)C[NH2+]C(C(=O)[O-])C1O,1,GDB ChEMBL
398166,CC1(C)CC2CN1C(=O)CCCC1(CC1)O2,1,GDB ChEMBL
194231,CC[NH2+]C1C(C)CCC(C)(O)C[NH2+]CC1(C)C,0,GDB ChEMBL
152490,CC(=O)C(O)C(C#N)C(C)CC(N)=O,1,GDB ChEMBL
197062,CCS(=O)(=O)NC(=N)NC1CC1C[NH3+],0,GDB ChEMBL
39703,CC(O)C1CCN(C(CO)C(N)=[NH2+])C1,0,GDB ChEMBL
383333,C[NH2+]C1C(C)CC(C)([NH3+])C1(C)NC(C)C(N)=O,0,GDB ChEMBL
173918,CC1(N)C(=O)OCC12CC2,0,GDB ChEMBL
334358,CCC(C)(C)c1c(Cl)cc(C)cc1CC(C)C,1,GDB ChEMBL
117356,Cc1cc(C)c(NC=O)c(F)c1N,1,GDB ChEMBL
92298,C#Cc1cnc(N)cc(=O)n1,0,GDB ChEMBL
169508,COC1C(c2ccco2)C=CC[NH2+]C12CC2,0,GDB ChEMBL
330333,CCC1(C(=O)[O-])C(O)COC(C=N[O-])C1O,0,GDB ChEMBL
84204,N=c1cc2c(n[nH]1)NC(CO)CC2,1,GDB ChEMBL
133295,Cc1cc(N)nc(C2=C(CO)CNC2=O)c1,0,GDB ChEMBL
222207,CC[NH2+]C(CC)c1cnc(C)c(C[NH3+])c1Cl,0,GDB ChEMBL
140767,C=C(C)C(CC(C)OC)OCCO,1,GDB ChEMBL
124851,C#Cc1ccc(C)c(NC2C[NH2+]C2CO)c1,0,GDB ChEMBL
377273,CC1CC([NH3+])C2NCC(N1C)C2(C)C#N,0,GDB ChEMBL
72008,O=C1NC2COCCC1(O)C2=O,0,GDB ChEMBL
50130,CC12CC=CCC1C1CCCCCC(C1)C2,0,GDB ChEMBL
70051,CC(C)C1C(C)C(C)C2CCCCCC1(C)C2,0,GDB ChEMBL
304288,CCCCC(C)CC1C2C=CC1C2C,0,GDB ChEMBL
162506,CC1=C(CC2CCC2)CN(C)C1=O,0,GDB ChEMBL
136693,O=C([O-])COC1C2NC(C2=O)C(O)C1O,0,GDB ChEMBL
176452,CN1C(N)=NC(C#N)CC1C[NH3+],0,GDB ChEMBL
332340,CC1=CC(=NO)C(C#N)(CO)N(C(N)=[NH2+])C1,0,GDB ChEMBL
352812,CCC1C([NH3+])C(O)C(CS(N)(=O)=O)C1(C)[NH2+]C,0,GDB ChEMBL
193285,CCC1CC2C([NH2+]1)C2OCC[NH3+],0,GDB ChEMBL
80456,Cc1cc(I)cc2c1C1CC(C1)C2C[NH3+],0,GDB ChEMBL
383328,CC[NH+]1CCC(C)(C)NC(=O)C1,0,GDB ChEMBL
5858,C#CC1(CO)N2CCCC21C(N)=O,0,GDB ChEMBL
108159,CNc1cc2ccc1CCCOCC=CC2,1,GDB ChEMBL
349927,CC[NH+]1CC(C(C)[NH2+]C)C1CCCO,0,GDB ChEMBL
180796,COCC1CC2CC2(C)N2CC(=O)C(C2)[NH2+]1,0,GDB ChEMBL
304269,CCC1CC(O)C2(C)C(C#N)C12,0,GDB ChEMBL
38480,CC1C2OC2C2CC1[NH+](C)C2,0,GDB ChEMBL
292249,CCC(CCO)(C[NH2+]CC(C)O)C(=O)OC=N,0,GDB ChEMBL
89142,CCCOCCC(C)(CO)CC(C#N)CC#N,0,GDB ChEMBL
58960,C[NH2+]C1C(C)CC2C(C(=O)[O-])=CCC21O,0,GDB ChEMBL
42284,C=CC(=N)N1CCOCC(O)C1=O,1,GDB ChEMBL
177346,CCC(=O)OC(C)C1([NH+](C)C)CC1C=NO,0,GDB ChEMBL
359115,CCC1CCCC=CC1C(F)(F)F,1,GDB ChEMBL
214443,C#Cc1cc(-c2nc(C)ccc2C)ccc1F,1,GDB ChEMBL
391794,CC1C[NH+]=C2NC3CCC(C3CO)C21,0,GDB ChEMBL
292510,CCCOC1OCC2NC21CC(=O)[O-],0,GDB ChEMBL
338265,CCC1C2OC(C)OCCCC(C(=O)[O-])C12,0,GDB ChEMBL
208567,C#Cc1ccc(Cl)c(C2CC2(C)C)c1,1,GDB ChEMBL
261454,CCc1nc2c(c3c1C(=O)OCC3)CCO2,1,GDB ChEMBL
251455,CC(Cc1ncsc(=O)c1OCC[NH3+])NC=O,0,GDB ChEMBL
264012,CC([NH3+])C1CCC=CC[NH2+]C1C,0,GDB ChEMBL
77832,CNC(=[NH+]C)N(C)CC(=O)CC#N,0,GDB ChEMBL
31815,CC1CN(C2(CS(N)(=O)=O)COC2)C(=O)O1,0,GDB ChEMBL
185314,CCC1(C)CCC2(C)C(=O)C(C)CCC12,0,GDB ChEMBL
264935,C#CCC(Cc1c(C)cccc1Cl)CC(C)C,1,GDB ChEMBL
366555,COC(=O)C1NC2(C)C([NH3+])C2C1C[NH3+],0,GDB ChEMBL
344342,CCC(C)C1CC2(CC2)OC2CCC1CC2,1,GDB ChEMBL
358163,O=C([O-])C12OCC[NH2+]CC1C2O,0,GDB ChEMBL
370383,CC1C2CC(C3CCC[NH+]23)C12C=CCCC2,0,GDB ChEMBL
246380,CC(=O)NC=CC=C(CO)C(C)O,0,GDB ChEMBL
385406,C#CCc1cncc(C2([NH3+])CCC2)c1,0,GDB ChEMBL
398793,CC(O)(C#N)CCC(F)(F)F,1,GDB ChEMBL
263482,C#CCC1(C)OC1CCCCC,1,GDB ChEMBL
310280,C[NH2+]CCC(O)C(COC(N)=[NH2+])NC(C)=[NH2+],0,GDB ChEMBL
225031,C[NH2+]C1CN(CC(O)CCC#N)C1,0,GDB ChEMBL
115214,N=c1nc(N)[nH+]c(N2CCC([NH3+])C2)n1CCO,0,GDB ChEMBL
317989,COC1(CC([NH3+])C(CO)C(N)=O)CC1,0,GDB ChEMBL
331765,[NH3+]C1CC2(O)COC1CC2O,0,GDB ChEMBL
358581,NC(=O)C1OC(=[NH2+])NC2CC2C1=O,0,GDB ChEMBL
100731,Cc1ccc(CC(C[NH3+])C(O)CO)n(C)c1=O,0,GDB ChEMBL
26354,CCC1CC(O)CC(C2CC(C)C(C)(C)C2)C1,0,GDB ChEMBL
358148,COc1cnc(C(C)(C)[NH3+])cc1CNC(C)=O,0,GDB ChEMBL
241124,N#CCC#CC([NH3+])CCC(N)=O,1,GDB ChEMBL
262573,C=Cc1cc(N2CC2)cc(O)c1Cl,1,GDB ChEMBL
334713,CN1C(=N)NCC(C=O)C1=O,1,GDB ChEMBL
351190,NC1=NC2C(CC(=O)NCC([NH3+])C2(O)CO)O1,0,GDB ChEMBL
148878,CS(=O)(=O)C1C(=N)NC1C(=O)[O-],0,GDB ChEMBL
337828,CN1CC2C=C(CC(=O)[O-])C(C[NH2+]2)C1,0,GDB ChEMBL
37266,CCC(O)CC(CC)C1CC1,1,GDB ChEMBL
245489,CCC1NC(C#N)CC12OC2C(C)C,0,GDB ChEMBL
249507,N#CCCc1cc(=O)occ1[O-],0,GDB ChEMBL
243890,CC(=O)NCCC(=O)Nc1cnoc(=N)n1,0,GDB ChEMBL
211171,O=C1NCCc2onc([N+](=O)[O-])c21,1,GDB ChEMBL
385482,CC=C1C(C[NH2+]CCO)=CCC1C,0,GDB ChEMBL
377912,Cc1c(C#CC[NH3+])cc2c(c1O)C1CC1C2,0,GDB ChEMBL
103530,CCn1ncc2c1NCC2O,1,GDB ChEMBL
99836,O=C([O-])CCC1CC12CCC(=O)C2,0,GDB ChEMBL
304613,CCOC1CC(OC)CC1O,1,GDB ChEMBL
380611,CCC1=C(C)c2cc(Br)c(C)cc2NC1,1,GDB ChEMBL
296284,CCCn1nc(CC[NH3+])nc1C,0,GDB ChEMBL
85012,CCN1C(=O)c2sc(C)cc(=[NH2+])c2C2CC21,0,GDB ChEMBL
77271,C[NH+](C)CC1CC2C3CC=CC32C1O,0,GDB ChEMBL
209820,CC1=CC(C(=O)[O-])COCOC1,0,GDB ChEMBL
339960,C[NH2+]CC1NC(Cc2ccoc2)CC[NH2+]C1C,0,GDB ChEMBL
221360,NCC[NH2+]CC1COCC(C(=O)[O-])COC1,0,GDB ChEMBL
339234,CC1C2CC(CC[NH+](C)C(C)C2)C1[NH3+],0,GDB ChEMBL
112831,C#CC[NH2+]C1CC2CC2OCCC1=O,0,GDB ChEMBL
127714,CCCC1=CC(=[NH2+])NCC1,0,GDB ChEMBL
71987,CCC1CC2c3ccc(Cl)cc3N(C1)C2C,0,GDB ChEMBL
330046,CC1(C)CCC(=O)C=C(C(N)=O)CC[NH2+]1,0,GDB ChEMBL
234890,CC1NC(C(N)=O)C2OC1C2([NH3+])CO,0,GDB ChEMBL
46006,CC#CC(C)[NH2+]C1(CC)CCCC1,0,GDB ChEMBL
187206,NC(=O)CCCc1ncc([O-])n2nc(O)nc12,0,GDB ChEMBL
285094,NC(=O)OC1(C(=O)CO)CNC1=O,0,GDB ChEMBL
251951,CCCC(CCC)OCCC1(C)CCCC1C,1,GDB ChEMBL
369303,CC(=O)C1CS(=O)(=O)CC(=O)N1,1,GDB ChEMBL
358626,NC(=O)C12COCC1C2,1,GDB ChEMBL
136555,CNC(CO)C(C#N)OC(=O)C=O,1,GDB ChEMBL
380236,CC[NH2+]CCc1[nH]ncc1C(C)C,0,GDB ChEMBL
321983,COC1C2CC3C1C(O)C[NH+]3C2,0,GDB ChEMBL
115231,CCC1C2C(CC[NH3+])C(=O)N12,0,GDB ChEMBL
124322,COC(=O)CCCC1COC(C)O1,1,GDB ChEMBL
386199,CNC(=O)C(O)C1[c-]2oc(=O)cc2C1(C)C,0,GDB ChEMBL
227947,COC1CC2(OC(N)=O)CCC(C)(C2=O)C1O,1,GDB ChEMBL
161397,Cc1cnnn1C(=O)[N-]C(=O)OCC[NH3+],0,GDB ChEMBL
209836,CC(=O)NC1CC(C)COC1C(N)C(C)[NH3+],0,GDB ChEMBL
358954,C#CCC(OC(CC)C(CC)CC)C(C)C[NH3+],0,GDB ChEMBL
109738,O=C1CCNCC2N=C1OC2CO,0,GDB ChEMBL
318495,CCCC1CC2CC2OCC1=O,0,GDB ChEMBL
66648,C#CC(CC(CC)CCC)c1cccc(I)c1,1,GDB ChEMBL
305266,CNC(=[NH2+])C(CC(CO)C(N)=O)[NH+]=C(N)N,0,GDB ChEMBL
228341,CC1C(=O)NCC2C(=N)OC(C1[NH3+])C(O)C2O,0,GDB ChEMBL
254983,CN1C(=O)CC2C1C(O)C([NH3+])C2n1cnnc1,0,GDB ChEMBL
362833,C#CC(CC(CCC)C(F)(F)F)C(C)OC,1,GDB ChEMBL
387336,CC[NH2+]C1C(C)CC2C=CC1C1CC21,0,GDB ChEMBL
338343,CCCCOC1C(O)C2NC21,0,GDB ChEMBL
127686,CCC1C[NH+](C)C2CCC1(C)C1OC21C,0,GDB ChEMBL
379741,CC(C=CC(=O)[O-])=C1CCCOC1,0,GDB ChEMBL
217710,CCC([NH3+])(CC)c1c(N)cc(C)[nH+]c1N(C)C,0,GDB ChEMBL
104952,C#CC1=CC(C)(C)C(C)(CCC[NH2+]C)C1,0,GDB ChEMBL
174224,CCNc1ccccc(C(C)C)ncs1,0,GDB ChEMBL
44332,CC1(O)CC([NH3+])CC2C(C[NH3+])C2C1,0,GDB ChEMBL
271471,CCC1CC(C)CC2C(CC)C(C)CCC12,0,GDB ChEMBL
35298,CCCCC(C=O)C1(CC#N)CO1,1,GDB ChEMBL
119800,CCOCC1C2CC3C(C[NH2+]2)C13,0,GDB ChEMBL
398736,Nc1nc(S(=O)(=O)CCC=O)ncc1Cl,0,GDB ChEMBL
189812,C[NH2+]CC1C=CCCC(C)C1,0,GDB ChEMBL
307999,O=CC1CNC(=O)N(CC(=O)[O-])C1,1,GDB ChEMBL
318058,CC(C#N)S(=O)(=O)CC(O)CN(C)C,1,GDB ChEMBL
193267,CS(=O)(=O)CC1(C(=O)CO)CC[NH2+]C1,0,GDB ChEMBL
177030,CC(C)(C)C=O,1,GDB ChEMBL
163366,CNS(=O)(=O)c1cc(Cl)cc2cccn12,1,GDB ChEMBL
182140,CCC1CC1c1ccc(Br)cc1,1,GDB ChEMBL
354089,CCN(C=O)C(=O)C1NC1C[NH2+]C,0,GDB ChEMBL
345414,CN(C)C(=O)NCCCNc1nnns1,1,GDB ChEMBL
249579,CC(=O)CC1OC(=O)C1Cc1ccno1,1,GDB ChEMBL
104412,CCCC12CC(CO1)C1CC2C(C)(CC)C[NH2+]1,0,GDB ChEMBL
315222,C#CCCCc1cnc(C)c(C=O)c1Br,1,GDB ChEMBL
275619,Cc1ccc(Br)c2c1CCCC1=CCCC12,1,GDB ChEMBL
349616,CCCc1[nH]cc2ccc(CC(C)C)cc12,1,GDB ChEMBL
286171,COC1C(C)C2CC1(C(N)=O)C[NH2+]CCO2,0,GDB ChEMBL
84990,C[NH2+]C1CCOCC(=[NH2+])N(C)C1,0,GDB ChEMBL
354751,CCC([NH3+])c1ccc([NH+]=C(N)N)nc1,0,GDB ChEMBL
277746,O=C(CCC1CC1)COC1CC1,1,GDB ChEMBL
194488,CCC1OC1Cc1ccccc1,1,GDB ChEMBL
290512,CC1=CCC#CCCCCCC=CC(C)C1,1,GDB ChEMBL
133036,CC1C(C)N1C(CO)CC1CC1,1,GDB ChEMBL
379683,CC1CCOC(=O)OC(C)CC1,1,GDB ChEMBL
41175,CC[NH2+]C1C(C(C)C)C1C(C)C,0,GDB ChEMBL
358812,CC(C)C1(C)C(C)CCCC1C,1,GDB ChEMBL
241138,CNC(=O)NCc1oc(=O)nc(N)c1C(N)=O,0,GDB ChEMBL
29722,CC1CC(C)C2CC(OC(=O)N1)C2[NH3+],0,GDB ChEMBL
316425,CC12CC(N(CC#N)C1)C1(CC1)C2,1,GDB ChEMBL
124260,CCC1(CC)CCCC(CC2CCC2)C1,1,GDB ChEMBL
130630,Cc1cnc(C2C#CCCCCCC2)cn1,0,GDB ChEMBL
104911,CC1CC(C)C2C(O)C(O)CC12,0,GDB ChEMBL
122013,C#Cc1c(C2CCC2)cc(CC)c(N)c1O,1,GDB ChEMBL
338862,COC1CCCC2CC=CC21C,1,GDB ChEMBL
356541,C=C(C)C(OC)C(CCOC)[NH2+]C,0,GDB ChEMBL
183483,CCC1C=CC(C)CCOC1C,0,GDB ChEMBL
379902,CCC(O)c1c[c-](C=O)[nH+]c1NC,1,GDB ChEMBL
148536,C1CCC([NH+]2CCNCC2)CC1,0,GDB ChEMBL
50925,C#CC1C=CC=CCCC(CC)C1,0,GDB ChEMBL
174681,CC12CC3(C)C(O)CCC3C=CC1O2,0,GDB ChEMBL
234253,C[NH+]=C(N)Nc1noc(C)c1C=O,0,GDB ChEMBL
312228,CC[NH2+]CC(C)(C)N1CC(C)(CO)CCC1=[NH2+],0,GDB ChEMBL
27910,NC(=O)C(O)CC1CS(=O)(=O)N2CC12,0,GDB ChEMBL
849,CC[NH+]=C(c1c(CC)cc(N)n1C)N(C)CC,0,GDB ChEMBL
1495,O=C1NCC2C(CO)OCC(O)CN12,0,GDB ChEMBL
95215,COCC(=O)NC(C)CC([NH3+])CC(N)=O,1,GDB ChEMBL
296405,CC[NH+]=C1NCC(N2CC(O)C2)C(C)(C)O1,0,GDB ChEMBL
281633,CC1CC2CC(CO)[NH+]1C2C=O,0,GDB ChEMBL
84891,C#CC[NH+]1CC(C)CC(C)CCC(C)(CC)C1,0,GDB ChEMBL
76093,COC(=O)C1(C)CC(=O)N1,1,GDB ChEMBL
66757,CN(CC#N)S(=O)(=O)CC1(C)CCOC1,1,GDB ChEMBL
87014,CC1CCc2ccc(Br)cc2CC1,1,GDB ChEMBL
388415,CNC(=O)C1COC(C)C1(C)[NH3+],0,GDB ChEMBL
278891,CN(C)c1ccc(Br)nc1,1,GDB ChEMBL
151759,[NH3+]CC1C(CO)C2NC1C2(O)C(=O)[O-],0,GDB ChEMBL
50092,C#CCN(C)CC(=O)C(C#N)NC=NC,1,GDB ChEMBL
341856,CCC1CCCCC(C(C)(C)C)C1C(C)C,0,GDB ChEMBL
337823,CCC1OC2C(S(N)(=O)=O)C2(C(N)=O)C1O,0,GDB ChEMBL
117444,CCC(C)C(=O)C1C=CCC1,1,GDB ChEMBL
214727,O=C1NCC2C(CCC3CCOC3)C12,1,GDB ChEMBL
156074,CCC(C)C[NH2+]C(C)(C)C(C)C,0,GDB ChEMBL
124103,COCC(O)C1C(O)C1OCC(N)=O,0,GDB ChEMBL
166464,CC[NH2+]C1(C(=O)[O-])CS(=O)(=O)C(C)C1O,0,GDB ChEMBL
61311,CC[NH2+]C1CCNS(=O)(=O)C2OC2C1O,0,GDB ChEMBL
104937,CC1C=CC(=O)NCC(C)C1,1,GDB ChEMBL
175704,CC1=CCCCCC2C=CC(C)(C[NH2+]2)C1,0,GDB ChEMBL
363200,CC(CO)C(CC[NH3+])CC1CC1,0,GDB ChEMBL
354057,CCOCCC(O)c1cc(N)c(Cl)cc1C#N,1,GDB ChEMBL
34996,Cc1c(O)c(F)cc2sc(O)nc12,1,GDB ChEMBL
78305,CCC#CC1=C(CC(=O)[O-])C(=O)NC1=O,0,GDB ChEMBL
294240,CC(C#N)C(C(O)C[NH3+])C1OCCC1(C)O,0,GDB ChEMBL
109748,CCC(O)C1C2[NH2+]CC2(C)COC1(C)C,0,GDB ChEMBL
251921,NC(=O)C1C2C[NH2+]CC2OC1S(N)(=O)=O,0,GDB ChEMBL
234422,[NH3+]CC1CCOC2CC2CCC1O,0,GDB ChEMBL
114801,CCCC1C2CC=C(C)C(C2)C1C,0,GDB ChEMBL
41036,COC1C=CC2OC1C(C)[NH2+]CC2(C)C,0,GDB ChEMBL
115394,CC1(C)C2[NH2+]CCCC21CO,0,GDB ChEMBL
51049,CCS(=O)(=O)[N-]C(=O)C(C#N)(C=O)NC,0,GDB ChEMBL
6808,CNC(=[NH+]C(C)CC(C)C)C1CC1C(C)O,0,GDB ChEMBL
148207,Cc1ccc2c(c1)C1N=C2OCCCC1=O,0,GDB ChEMBL
335450,Cc1nc(Br)c(NCCO)cc1O,1,GDB ChEMBL
2086,CC1OC(=O)C(O)C2(CO)C=CC([NH3+])C12,0,GDB ChEMBL
161384,C=CCCCC(C=C)=C(C)CC[NH3+],0,GDB ChEMBL
232068,[NH3+]C(CO)C1CN(C=O)C(CC(=O)[O-])=N1,0,GDB ChEMBL
147392,C#CC(C[NH2+]C)Cc1c(C)ccc(Cl)c1NC,0,GDB ChEMBL
379248,CCCC(C#CCC(C)=O)CO,0,GDB ChEMBL
261464,CCCN(C)C(=O)S(C)(=O)=O,1,GDB ChEMBL
155126,CC1C2CC(C)(CC[NH+]1C)C2,0,GDB ChEMBL
331176,CC1C=CC2=CCCCC2(C)C1C,1,GDB ChEMBL
315206,C#CC(CCC)c1c(Br)ccc(CC)c1C,1,GDB ChEMBL
31332,O=C([O-])c1ncnc2ncnn2c1=O,0,GDB ChEMBL
278206,OCCCC(O)c1cn[nH]c1,1,GDB ChEMBL
153235,NC(=[NH2+])C#CCNC(=O)C[NH3+],0,GDB ChEMBL
5029,CC(C)(O)C(CCO)OC=O,1,GDB ChEMBL
229457,CC12CC3CC1OC3(C)C(=O)N2,0,GDB ChEMBL
341884,N#CC1N2C(=O)NCC([NH3+])C12C(=O)[O-],0,GDB ChEMBL
85008,[NH3+]C1CC[NH2+]CC2CCC1O2,0,GDB ChEMBL
392475,CCC1([NH2+]C)C=CC(OC(=O)CN)C2CC21,0,GDB ChEMBL
103939,[NH3+]C12CC(CO)OC(=O)C1NC2C(=O)[O-],0,GDB ChEMBL
22611,CC1(O)C(C(N)=O)COC1(CO)CCC[NH3+],0,GDB ChEMBL
16042,Cn1cc(CC[NH3+])cc1N1CCC1,0,GDB ChEMBL
245875,CC1CC(C([NH3+])C(=O)[O-])C2(C)C([NH3+])CC12,0,GDB ChEMBL
251007,CC1C([NH3+])C(=O)OC(C[NH3+])C1C(=O)[O-],0,GDB ChEMBL
16765,[NH3+]C(C(=O)[O-])C1C2C(=O)OC2CC1([NH3+])CO,0,GDB ChEMBL
42241,CCCC(CCC)CC(C)c1ccccc1Cl,1,GDB ChEMBL
208564,Cc1cc(Cl)c([O-])c(C[NH2+]C2CC2)c1,1,GDB ChEMBL
288141,CCCCC1C=CC2CCC(C2C)C1CC,0,GDB ChEMBL
130476,N=C1OC2C(O)C(O)CC(=O)NC2C1O,0,GDB ChEMBL
70766,N=C(N)NC(=O)CC1OC1C(=O)NC=O,1,GDB ChEMBL
235972,[NH3+]CC1(O)C(O)C2OC(=O)NC2C1OCCO,0,GDB ChEMBL
44109,CC1CC(O)(CC#N)CC([NH3+])C(C)NC1=O,0,GDB ChEMBL
277440,CC(=O)NC1C2C(CO)OC(=N)C(O)C12[NH3+],0,GDB ChEMBL
165596,CC1=CC(C[NH2+]Cc2nn[n-]n2)CC1,0,GDB ChEMBL
57276,NC(=O)OCC1CN1S(=O)(=O)CC[NH3+],1,GDB ChEMBL
127294,CC(=[NH2+])NC1CCCCC2C[NH2+]CCC21C,0,GDB ChEMBL
271590,C[NH+](C)CC12C=CC(=O)CCCC(=CC1)C2,0,GDB ChEMBL
28278,CCOCC1[NH2+]C2CCC(C(C)C)C21,0,GDB ChEMBL
204550,CCC1OC2C(CC3([NH3+])CCOC3)[NH2+]C1C2O,0,GDB ChEMBL
139782,C=Cc1cc(CC)cc(=O)n1CC,1,GDB ChEMBL
139842,C[NH2+]C1C2CC1OC(=O)CN2,0,GDB ChEMBL
334399,CCOC(=O)C(=N)NS(=O)(=O)CC,1,GDB ChEMBL
35692,COC(C)C1C2C3C[NH2+]C(C3)C21C(O)CO,0,GDB ChEMBL
112387,CNc1c(CC2(C)CC2)cn(C)c1C,1,GDB ChEMBL
358577,C#Cc1cc(N)c(O)c[nH+]1,0,GDB ChEMBL
265487,COC1CC2=CCC3CC(C3)N2C1=O,0,GDB ChEMBL
133039,CC(C)OC1CC2CCC2C1,1,GDB ChEMBL
151218,CC(=O)OC(C)C1C(O)C(O)C1NC(N)=O,0,GDB ChEMBL
234851,CC[NH2+]C1C(CO)C2N=C(N)OC1(C)CC2O,0,GDB ChEMBL
359070,CC(=O)CC(CS(=O)(=O)[O-])C(N)=[NH2+],0,GDB ChEMBL
389385,CC[NH+]1CC(C)C=CC1CC(=O)N(C)C,0,GDB ChEMBL
127889,CC(=O)N(C)C1C2(CO)NC(N)=[NH+]C12CO,0,GDB ChEMBL
11433,C=CC(=C)Cc1c(C)cccc1Cl,1,GDB ChEMBL
317707,COC(=O)NCC(O)C1CCC1(O)C=NO,1,GDB ChEMBL
308004,CC1CS(=O)(=O)CC(=O)N(C)CC12CCC2,0,GDB ChEMBL
200606,CCCC1C(CC)CC2C3CCCCCC132,0,GDB ChEMBL
249566,CNc1c[nH+]c(N)n1CC[NH3+],0,GDB ChEMBL
217110,C#CCC1(C)C(C)CCCC1C(C)[NH3+],0,GDB ChEMBL
360804,CC(=O)NCC(=[NH2+])N(C)Cc1cnns1,0,GDB ChEMBL
195457,CCC(C(=O)[O-])c1cccs1,1,GDB ChEMBL
60990,C[NH2+]C1C2CC(C)C1(C)CCC2C,0,GDB ChEMBL
337955,CC1C2CC2OCC1[NH+](C)C,0,GDB ChEMBL
277960,CC(C)(C)CC1=CC2CNC(=O)C=CC1C2,0,GDB ChEMBL
71000,CC1CC([NH3+])CC2(C)CCCC1O2,0,GDB ChEMBL
120884,CCC1C2CCC(CC2)C2(C)CC1[NH+](C)C2C,0,GDB ChEMBL
289811,CCC1(C)CC2CCCC1CC(C)C2,0,GDB ChEMBL
6482,CC1C2OC(=O)C(CC[NH3+])C12[NH3+],0,GDB ChEMBL
156041,CCC1CC(C)(C)OCCC(C)O1,0,GDB ChEMBL
378115,C[NH2+]CC1CC(O)(CO)C(C)(O)CC([NH3+])C1O,0,GDB ChEMBL
252620,Nc1cc(C=O)c(N)nc1Cl,1,GDB ChEMBL
93401,COCCC(C#N)C1NC(C(N)=O)=NC1C#N,0,GDB ChEMBL
365775,NS(=O)(=O)CC(=O)N1CC(=O)NCC(O)C1,1,GDB ChEMBL
177178,COC1C(C)CC2(C)C=CC1C2C(=O)[O-],0,GDB ChEMBL
112025,CCN1C(=[NH2+])CC(C(C)(C)C)[NH+]2CCC1C2,0,GDB ChEMBL
261236,Ic1cccc2c1OCCCC1CCC1N2,1,GDB ChEMBL
310124,CC(C)CC(C)c1cc(F)c2c(c1)CC(C)O2,1,GDB ChEMBL
204658,[NH3+]C1CCC2CC(O)C1C(=O)O2,0,GDB ChEMBL
61735,N=C(N)N1CCC2=C(C=O)C(CC1=O)OC2,0,GDB ChEMBL
194759,C#CC(O)(C(CC)[NH2+]C)C1([NH3+])CC1,0,GDB ChEMBL
75859,CC1(C)C2Nc3cc(Br)c(O)cc3C21,0,GDB ChEMBL
29775,CC1CCC2CCCC(C)(C)CCCC1C2C,0,GDB ChEMBL
198681,CC1C=CCC2C(CC[NH3+])C2C1,0,GDB ChEMBL
73826,CC(C#N)COC(=N)NC(=O)CC#N,1,GDB ChEMBL
195557,C=CCC=CC(CCC)OC1CC1,1,GDB ChEMBL
345728,CCCC1(CCOC)C[NH+]=C(CC)N1,0,GDB ChEMBL
112367,CCC(=O)N1CCC1C1CC=C(C)C1,0,GDB ChEMBL
61715,C[NH+](C)CC(O)C(O)(C=O)CC(N)=O,0,GDB ChEMBL
361187,CC(C)C1[NH2+]CCC(CO)N2C(=[NH2+])CC(=O)C12,0,GDB ChEMBL
274866,C#CCCCc1cc(F)c(F)c(C)c1CCC,1,GDB ChEMBL
361805,CCCCC1(C)C(C)CC(C)(CC)C1CC[NH3+],0,GDB ChEMBL
101038,[NH3+]C1C2=NCCN2C2Cc3ncc(F)cc3C12,0,GDB ChEMBL
249823,Cc1cc(CC(C)CCC(C)C)c(Cl)cc1Cl,1,GDB ChEMBL
267892,CC1CC(C)(C)CC2C3CCCC(CCC3)C12,0,GDB ChEMBL
150003,CCN=C(C(N)=[NH2+])N(C(=O)C[NH3+])C(C)C(N)=O,0,GDB ChEMBL
115293,CCOC(=N)C(=O)C(CC(N)=[NH2+])C(N)=O,0,GDB ChEMBL
34874,C#CC(C)(C#C)CCc1ccc(C)cc1CC,0,GDB ChEMBL
226253,CCCCCC(C)CC1CCCC(C)CC1C,1,GDB ChEMBL
54800,CC1CC(O)(c2ccc(C#N)nc2Cl)CC1C,1,GDB ChEMBL
231136,CCC(C)CC1CNC1C#N,1,GDB ChEMBL
54088,O=C1CCCCCNC2(CC2)C1=O,1,GDB ChEMBL
127533,C#Cc1c(CC)ccc(Br)c1CC1CC1,1,GDB ChEMBL
282018,O=C([O-])C1NC1CCC(CO)CO,0,GDB ChEMBL
385445,C#CC([NH3+])C1C(O)C(=O)NC(CCOC)C1O,0,GDB ChEMBL
316094,O=C([O-])C1C=CCC2(COC2)C1,0,GDB ChEMBL
284739,CC1(C#N)C(N)C2C(O)CCN21,0,GDB ChEMBL
89132,N#CCCC(=O)CC1COC1,1,GDB ChEMBL
178036,CNC(=O)N(C)Cc1cc[nH]c1,1,GDB ChEMBL
148004,CC[NH+](C)CC1(OC)CC=CC1,0,GDB ChEMBL
30369,NC(=O)CC1OC2C([NH3+])CC1(O)C2OCC[NH3+],0,GDB ChEMBL
3952,CC(CC(N)=O)CN(C(N)=[NH2+])C(N)=O,0,GDB ChEMBL
179486,C[NH2+]C1C(C)CC1OC,0,GDB ChEMBL
127670,COCC1([NH+]2CC(C)=CC2C)CC1,0,GDB ChEMBL
189837,Oc1c(F)ccc2cn[nH]c12,1,GDB ChEMBL
3984,CCC(C)CC1CCCCC1C,1,GDB ChEMBL
126959,CC1C[NH2+]C(C)(C)CC(C)C1,0,GDB ChEMBL
132453,CC(NC=[NH2+])C1(CCO)C[NH+](C)C1,0,GDB ChEMBL
176534,[NH3+]C1CC2(CO)NC(=O)C3C1C32,1,GDB ChEMBL
284897,COC(C(O)C(C)O)C1(N)CCOC1=O,0,GDB ChEMBL
201034,C[NH2+]C1C(OC)C(=O)OC(C)C1C(C)(N)C#N,0,GDB ChEMBL
217142,O=C(Cc1c[nH]nn1)N1CC2CC2C1,1,GDB ChEMBL
323317,C#CC1=CC(=O)CC1OC,0,GDB ChEMBL
247593,C#CC(O)C(C)C1OCCNC1C#N,0,GDB ChEMBL
129603,CCC(C)(OC)C1CC(=[NH2+])NCC1O,0,GDB ChEMBL
361762,CN1CC2[NH2+]CCCCC21,0,GDB ChEMBL
83071,CCC(C[NH2+]C)N=C(N)C(=O)C(=O)[O-],0,GDB ChEMBL
23431,CC(C)C1CC1OC1CCCC1,1,GDB ChEMBL
95225,C#CCC1CC2CC(O)C1(C)C2C(O)C(C)C,0,GDB ChEMBL
344401,CC1OCC(O)C2CC[NH+]2C1CS(N)(=O)=O,0,GDB ChEMBL
305856,CN1CC(=O)C2(CC#N)C(O)C12,0,GDB ChEMBL
112411,CCC[NH+]1CC2CC3(CC3C)C1CCC2C,0,GDB ChEMBL
24764,O=C([O-])CC1N=COC1=O,0,GDB ChEMBL
223978,NCCC(=[NH2+])NC(N)=[NH2+],0,GDB ChEMBL
383097,N=C(NC=[NH2+])Nc1cc(I)ccc1CC(=O)[O-],0,GDB ChEMBL
119853,CC1=CCCOCC(=O)N(CCO)C1,1,GDB ChEMBL
21545,CC1(C)CC1C[NH2+]CC1CC1,0,GDB ChEMBL
289245,CC12CCCC(OC1)OC2,1,GDB ChEMBL
34340,OCC1C2CCCC3CC1C(C2)[NH2+]3,0,GDB ChEMBL
170098,C#CCC1C[NH+](C)C2CC1C1(C)CC(=O)CC21,0,GDB ChEMBL
141844,CCC1CC(C)C2C3CCC(C3)[NH2+]C12,0,GDB ChEMBL
108734,CCC12CCC(=CCC([NH3+])C([NH2+]C)C1)CC2,0,GDB ChEMBL
356862,CN1C2COC(=O)C(N)(C(O)C2C#N)C1C[NH3+],0,GDB ChEMBL
116047,OCC1CC(CC(F)(F)F)C1,1,GDB ChEMBL
251433,CCCCC1C2CC(C)=CCC12C,1,GDB ChEMBL
129784,N#CCC(=O)Nc1noc(=O)c(N)n1,0,GDB ChEMBL
351308,CC1C(CCO)C[NH2+]CC2(O)CC2[NH+]1C,0,GDB ChEMBL
390513,CNC(=N)N(CC#N)C(=O)C[NH3+],1,GDB ChEMBL
162928,COC1C2CC[NH2+]C2CC1(C)O,0,GDB ChEMBL
243948,CC1(C)CC2CC(C[NH2+]1)OC2OC(N)=O,0,GDB ChEMBL
104497,O=C1OC(CO)C2CC[NH+]3CC1C23,0,GDB ChEMBL
305538,CC1CCOCCC2C(CO)C(C)(C)C12,0,GDB ChEMBL
127676,CCC([NH3+])C1C2C(OC)CCC12C,0,GDB ChEMBL
348614,Clc1cc2c3c(c1)CCC3C1CC1CC=C2,0,GDB ChEMBL
221368,CC1CCC(C)CC(C[NH3+])C1,0,GDB ChEMBL
249862,CC1(CC2C3C[NH2+]CC32)C=CCC1O,0,GDB ChEMBL
228812,COC1CCOC(OC(C)=O)C(O)C1[NH3+],0,GDB ChEMBL
235494,CC1(S(=O)(=O)NCCO)CC1,1,GDB ChEMBL
29946,CCC(C)(C1=CC2(CC2)[NH2+]C1)C1CCCC1,0,GDB ChEMBL
372568,CC12CCC(O)(C([NH3+])C(=O)N1)C2C[NH3+],0,GDB ChEMBL
173971,CC(=O)n1cnn2ccc(C)c2c1=O,1,GDB ChEMBL
135821,COC1C2CC1C(C(=O)[O-])[NH2+]2,0,GDB ChEMBL
394906,CCC#CC1C(=O)N2CCS(=O)(=O)CC12,0,GDB ChEMBL
201687,COC(=O)C(C)N(C)CC1(C(F)(F)F)CC1,1,GDB ChEMBL
179499,CC1CC12C1CC(O)C2[NH+](C)C1CO,0,GDB ChEMBL
379363,C[NH+]1CC(C[NH+]=C(N)N)C(OC(=N)NC=O)C1,0,GDB ChEMBL
20546,CC(CCC#N)OC(=O)CO,1,GDB ChEMBL
367666,OCC1CCN2C(CO)C2C1O,0,GDB ChEMBL
236000,CCC[NH2+]C1CCC(COCCC)C1,0,GDB ChEMBL
234450,C#CC1CC(C)CCC1(C)C(C)CC,1,GDB ChEMBL
363792,N=C1OC2CCC3NC(=O)CCN1C32,0,GDB ChEMBL
240449,CC(=O)NCc1sc(OCC(N)=[NH2+])nc1N,0,GDB ChEMBL
77834,CC1CCCCC#Cc2cc(Br)cc1c2,1,GDB ChEMBL
203213,[NH3+]CC1COCC(O)C(=O)NC1=O,0,GDB ChEMBL
77480,C#CCC1([NH3+])CC2(CC2)CC1C(=O)OC,0,GDB ChEMBL
99400,CC1CCCCOC(=O)C1NC=[NH2+],0,GDB ChEMBL
184281,C=C1C=CCCCC[NH2+]C1(C)CN,0,GDB ChEMBL
298901,C=CC(CO)NC(C(N)=[NH2+])C(N)=O,0,GDB ChEMBL
338917,Cc1ccoccc(C#CCC#N)cc1,0,GDB ChEMBL
29953,CCC(=O)[C-]1C(=O)CNCC=C1CO,0,GDB ChEMBL
263481,C#CC1C2C(C)CCC1(C)C(C)OC2C,0,GDB ChEMBL
210722,CCC1CCCCC2CC(C)C(C2)CC1(C)C,0,GDB ChEMBL
334667,CC[NH+]1CCC2C1CCOC(C)C(=O)N2C,0,GDB ChEMBL
100682,CC#CC(CCCC)CC1CN1CC,0,GDB ChEMBL
48045,CC(C1CC1)C1[NH2+]CCC2CC21,0,GDB ChEMBL
48161,Cc1cc(C=O)n(C(C)C(C=O)CC(C)C)n1,1,GDB ChEMBL
227523,COCC(=O)OC1CN(C=O)C1,1,GDB ChEMBL
112470,O=C1NC2CC1[NH+]1CCC(O)C21,0,GDB ChEMBL
382132,CC[NH2+]C1C(N)C=C(CC)C1CO,0,GDB ChEMBL
339971,CCC1CCCC(CC(C)C)(C(C)C)CC1C,0,GDB ChEMBL
360807,O=C1NCCS(=O)(=O)CCC2COCC12O,0,GDB ChEMBL
270076,CCc1ccc(F)cc1CC(=O)NC(C)C,1,GDB ChEMBL
20791,C=C(C)CC1(C)CC(CC)CC1C,0,GDB ChEMBL
209484,C=C1CC2(CO)CCCC2C1C#N,1,GDB ChEMBL
340102,[NH3+]C(Cn1cc[nH]c1=O)C1=CC(=O)NCC1,0,GDB ChEMBL
319831,C[NH2+]CC12CNC(C(N)=O)C(C([NH3+])C1O)C2N,0,GDB ChEMBL
107054,COC1CC1(O)C(=N)N1CC(=O)NC1=O,1,GDB ChEMBL
367649,CCCc1ccnc(CCC)c1,1,GDB ChEMBL
26601,CC#CC(C)c1cc(C(C)C)c(Cl)cn1,1,GDB ChEMBL
70773,C#Cc1ccc(C(=O)CC[NH2+]C2CC2)cn1,1,GDB ChEMBL
271378,CC#CC1C(C)C2CCCCC2C1C,0,GDB ChEMBL
393961,CCC(c1cc(C=O)nc(CO)n1)C(F)(F)F,0,GDB ChEMBL
322923,C1CCCC2CC3CCC(CC3)C2CCC1,0,GDB ChEMBL
259374,CC(=O)C#CC[NH2+]CC(=O)[O-],1,GDB ChEMBL
118377,CC1Oc2cccnc2C2(O)CC1C2,1,GDB ChEMBL
385496,CC(O)(C(=O)[O-])C1OC(=N)C(C[NH3+])NC1=O,0,GDB ChEMBL
304409,COCCCC1CC(C)=CCC=C1C(C)=O,0,GDB ChEMBL
285089,CCC1(CC(C)C(=O)[O-])C2N=C(N)OC21,0,GDB ChEMBL
354423,CC1CC=C2Cc3ccccc3CC=C2C1,0,GDB ChEMBL
241094,CCCCC1(CCC2C(C)C2C)CC1,1,GDB ChEMBL
16764,CCCCC([NH3+])C1CCC=C1C1CCC[NH2+]1,0,GDB ChEMBL
318399,CC[NH2+]CC(C)(CO)C(O)C[NH+]1CC(C)C1,0,GDB ChEMBL
206794,Cn1nc2c(N)nc(Cl)cc2c1S(N)(=O)=O,0,GDB ChEMBL
182274,C#CC(C#C)(C#C)OC(C)CC(C)CC,1,GDB ChEMBL
339079,C#CC(O)(CO)COCC(=O)[O-],1,GDB ChEMBL
99600,Nc1nc(CC2(CNC=[NH2+])CCOC2=O)cs1,0,GDB ChEMBL
304831,CC1OC(=O)NC(c2ncon2)C1O,1,GDB ChEMBL
47555,C#CC(C#C)(C#C)CC(C)C1(C)CC[NH+](C)C1,0,GDB ChEMBL
300116,CCC(C)N1CCCCc2c1ccc(Br)c2C,1,GDB ChEMBL
78279,N#CC(O)CNC1=NCCO1,1,GDB ChEMBL
281147,C#CC(C)CCC(O)CO,1,GDB ChEMBL
356551,Nc1c(F)c(C=O)c(N)c2ccccc12,1,GDB ChEMBL
33557,C#CC(CC(O)C1CN1)(OC(C)=O)C(N)=O,0,GDB ChEMBL
338845,CCC1C(c2ccc(I)cc2)[NH2+]C2COC21,0,GDB ChEMBL
289833,NC(=[NH2+])c1nc2c(c(=O)[nH]1)NC(=O)CCN2,0,GDB ChEMBL
71305,CCNC(=O)C(C)NC(=N)S(=O)(=O)CO,0,GDB ChEMBL
277657,C#CCc1ccc(COCC)cc1Br,1,GDB ChEMBL
29613,CC1([NH3+])C(C(=O)[O-])OC(C#N)C2NCCOC21,0,GDB ChEMBL
35702,Cc1ccnn1C(C[NH3+])CC(N)=[NH2+],0,GDB ChEMBL
203633,CC1=CCC2CC=CC=CC(C1)OC2,0,GDB ChEMBL
81635,CCC1(O)C(CO)[NH2+]C1COC,0,GDB ChEMBL
23968,O=C1C(O)CC2CC3C4CN1C2C34,0,GDB ChEMBL
276171,[O-]c1coc2cc(F)cc(C3CCC[NH2+]3)c12,0,GDB ChEMBL
242970,Cc1cc2c(c(CC(C)C)c1O)CCC2,1,GDB ChEMBL
322906,CNC(=O)C1C2[NH2+]C(C)C(O)C21O,0,GDB ChEMBL
201714,CC1C[NH+](C)C2C=CCCCC2(C)C1=O,0,GDB ChEMBL
44337,CC1C=CC(=O)CCNC(=[NH2+])NCC[NH2+]1,0,GDB ChEMBL
87151,CC1=CC2CCCC[NH+]2C1C,0,GDB ChEMBL
174914,[NH3+]CC1OCCC1Cn1nccn1,0,GDB ChEMBL
186600,C#CCCC(C)(CC)C(C)(CC)CC,0,GDB ChEMBL
76828,COC(=O)C1C(C(N)=O)NC2(C)C([NH3+])C12N,0,GDB ChEMBL
17585,CCc1scc(N)cc(O)cc2c1CC=C2,0,GDB ChEMBL
22562,C#CC1(COS(N)(=O)=O)CCC(=O)O1,1,GDB ChEMBL
225864,NC(=[NH2+])CC1(CO)C[NH2+]C1,0,GDB ChEMBL
31348,CC(CC1CC2CC[NH2+]C2C1)C(C)(C)C,0,GDB ChEMBL
131859,CCN(C(N)=[NH2+])C1CC1CS(=O)(=O)[O-],0,GDB ChEMBL
324329,CC(CO)CC1(O)CC([NH3+])CC12C[NH2+]C2,0,GDB ChEMBL
299731,N#Cc1c(C(=O)NCC[NH3+])n[nH]c1C[NH+]=CN,0,GDB ChEMBL
45931,CN(C=[NH2+])CCNCc1ccn(C)n1,0,GDB ChEMBL
354990,CCCc1cocc1Cn1ccnc1,1,GDB ChEMBL
87535,COC1CC2C3CC[NH+]2C1C3O,0,GDB ChEMBL
146070,CCC1CCC(CC(N)=O)=C1C,0,GDB ChEMBL
334044,CCc1ccoc1C(C)(C)C,1,GDB ChEMBL
26567,CC(N)C(C#N)N1C(=O)[N-]CC(O)C1=O,0,GDB ChEMBL
179313,C=C(CC)Cc1cc(N)cnc1Cl,1,GDB ChEMBL
165988,CC(O)COCCC(N)=[NH2+],0,GDB ChEMBL
23533,CC(O)C(O)C(O)C([NH+]=CN)C(=O)[O-],0,GDB ChEMBL
127214,CCC1C(CC[NH3+])C2CCCCC([NH3+])C1O2,0,GDB ChEMBL
260719,CC1OCCC(=O)NC2CCCC23[NH2+]CC13,0,GDB ChEMBL
51825,CS(=O)(=O)c1ccncncn(C(N)=O)c1,0,GDB ChEMBL
35273,CNC(C([NH3+])CC(=O)[O-])S(N)(=O)=O,0,GDB ChEMBL
48121,C#CC(=O)NC(=N)Cc1ccc(N)c(Cl)c1C,1,GDB ChEMBL
118364,CC1=CC(C#N)CC(=O)N(C)CC=C1,0,GDB ChEMBL
170435,C#CC1(CC[NH2+]CCCC)CCC(C)C(C)C1,0,GDB ChEMBL
48146,CC(C)CC1C(C(C)O)[NH+](C)C2(C)CC12,0,GDB ChEMBL
362346,O=CC(O)S(=O)(=O)NCCC(=O)[O-],0,GDB ChEMBL
43535,OCC(CO)Cc1c(O)cc(Cl)cc1O,1,GDB ChEMBL
305272,Cc1ccc(O)c(I)c1CC1CCNC=[NH+]C1,0,GDB ChEMBL
346510,CC1=CC2NC(=O)CC1OC2=O,0,GDB ChEMBL
170240,CC(O)CNc1sc(C[NH3+])cc1S(N)(=O)=O,0,GDB ChEMBL
313717,CCc1cn2c(C)c(CCO)cc2c(Cl)c1C,1,GDB ChEMBL
163859,CC1(O)CC2CC(CO)OCC1C2O,0,GDB ChEMBL
61511,CCOC(=N)NC(=O)NC12C[NH2+]C(C1)C(C)C2,0,GDB ChEMBL
199453,CC(=O)C1CNC(=O)N1C(C)C=O,1,GDB ChEMBL
83105,CC(=O)Nc1cocc(N)nc(CO)cn1,0,GDB ChEMBL
203806,CC(C(N)=O)N(C)C(=[NH2+])C1NC(=O)CC1C[NH3+],0,GDB ChEMBL
263430,N#CCNCC1=NCCO1,1,GDB ChEMBL
310990,CC1OC(=O)C(O)C(=N)NC1=O,1,GDB ChEMBL
384865,C#CC1[NH2+]C(C)(CCCC)CCCC1(C)CC,0,GDB ChEMBL
285547,CCC1([NH3+])CCC2C(C)CC(C)(C1)[NH+]2C(C)C,0,GDB ChEMBL
259650,CCCC1(C)CC2=C(CCC(C)CC2)C1,0,GDB ChEMBL
271817,CC(=N)N(C(=N)OCC[NH3+])C(=O)C(N)=O,0,GDB ChEMBL
83515,CCC1(C)[NH2+]C(C)C2C1C1CN2CCO1,0,GDB ChEMBL
292953,CN1C(=N)C2OC(CC(C[NH3+])C1=O)C(O)C2[NH3+],0,GDB ChEMBL
256133,C#CC1C[NH+](C)C(CC([NH3+])CC)(C(C)(C)O)C1,0,GDB ChEMBL
260195,C#CCC1C2CCC1C(C)(C(CC)CCC)C2,0,GDB ChEMBL
288482,CN1C2C(C(N)=O)CC1C1(C#N)CC21,0,GDB ChEMBL
109469,N#CC1CC2CCC([NH3+])CN1C2CO,0,GDB ChEMBL
148811,COC1C(C=O)C1NC(C)C#N,1,GDB ChEMBL
368442,CCOC1C(=O)CCCc2cc(Br)cc(C)c21,1,GDB ChEMBL
190073,O=C[C-]1NC(=O)Nc2ccsc2C1=O,0,GDB ChEMBL
234216,N=COC(=O)C(N)CCCC1C[NH2+]C1,0,GDB ChEMBL
147252,CC12C[NH+]3CCC(C3)NC1CO2,0,GDB ChEMBL
21503,CCN1C(=O)NC2=C(C(N)C([NH3+])CC2)C1C,0,GDB ChEMBL
104414,CCCCCC1=CCC(C)C2CC12,1,GDB ChEMBL
200568,C#CC[NH2+]C(C#C)CN(C)CC[NH2+]CC(N)=O,0,GDB ChEMBL
305138,NS(=O)(=O)CCOCc1cscn1,1,GDB ChEMBL
300171,CC12CCC[NH2+]C1(CO)C2,0,GDB ChEMBL
157408,CCC1(OC)CC([NH3+])C(C#N)C1NC,0,GDB ChEMBL
156065,CC12C=CCCC1Cc1c(I)ccnc1C2,1,GDB ChEMBL
104376,CCc1cc(C)nccc(C)n(C)c1,0,GDB ChEMBL
45953,CCC#CCC(C[NH3+])(OC)C(=O)[O-],1,GDB ChEMBL
309175,Cc1cc(F)c(C)c2c1C(CC(C)C)[NH+](C)C2,0,GDB ChEMBL
345404,CCCn1nc(OCCC[NH3+])sc1=O,1,GDB ChEMBL
33580,C[NH2+]C1CC([NH3+])CC2(O)CNC(=O)C12,0,GDB ChEMBL
304474,CN(CC(=O)[O-])C(=[NH2+])C(N)C1CNC(N)=[NH+]1,0,GDB ChEMBL
121063,NC1C(C([NH3+])CC2CCC[NH2+]2)C1([NH3+])CO,0,GDB ChEMBL
323134,C[NH2+]CC(C)CCC(=CN)C(C)=O,0,GDB ChEMBL
277840,CCCC1(C)C(=O)C(O)C1CCNC(N)=[NH2+],0,GDB ChEMBL
201426,[NH3+]C1(C(=O)[O-])CCCC=CC1CO,1,GDB ChEMBL
333108,CCc1cc(C2CC2OC)c(C(C)O)n1C,1,GDB ChEMBL
259696,CC1OC2(CO)CCS(=O)(=O)[N-]C(=O)C12,0,GDB ChEMBL
354567,C[NH2+]CCc1cc(C)on1,0,GDB ChEMBL
127527,C#CC(C)(OC)C(O)CCCC(=NO)C(=O)[O-],0,GDB ChEMBL
204811,C#CCC(C#N)(C(=O)NC(C)C)n1ccnc1,1,GDB ChEMBL
140317,CCCC12CC1C1CC1C2[NH+](C)CC,0,GDB ChEMBL
221139,O=C1C2CC1[NH+]1CCCC21,0,GDB ChEMBL
238143,O=C1C=CC2=CCCCCC(C2)O1,0,GDB ChEMBL
153301,CC1(C)OC(=O)CC2CNC(C(=[NH2+])N2)C1=O,0,GDB ChEMBL
318008,CC1OC(CC(N)=O)C(C[NH3+])NC1=[NH2+],0,GDB ChEMBL
304357,CC1OCCC([NH3+])C(C([NH3+])C(=O)[O-])O1,0,GDB ChEMBL
98876,Cc1cc(=O)cc(C2CCCCCC2)cc1N,1,GDB ChEMBL
307909,C[NH2+]CC1CC(C)(OC)C(CC(=O)[O-])C1C=O,0,GDB ChEMBL
89642,CCC1=CC2CCC[NH+](C)C2CC1C,0,GDB ChEMBL
50102,CC1CC2(C)C[NH2+]C1(CO)C2,0,GDB ChEMBL
153291,O=CCOC(CO)CC(=O)[O-],1,GDB ChEMBL
296384,CC1CC(S(=O)(=O)C(=N)N)CC(=O)N1,0,GDB ChEMBL
263805,N#CC1CC2CC(O)C(CO2)N1,0,GDB ChEMBL
31331,NC(=[NH2+])C(N)C1C(O)CNC(=O)C1N,0,GDB ChEMBL
255134,CC1C2C[NH2+]C1(C(=O)[O-])C2S(C)(=O)=O,0,GDB ChEMBL
177098,CCCC1CC=CN(C(C)=[NH2+])C1,0,GDB ChEMBL
385940,CC[NH2+]C1CC(C(C)=CC(=O)[O-])C1,0,GDB ChEMBL
91170,CCC1CC(O)C(CC)C1(C)C,1,GDB ChEMBL
271830,CC1(C([NH+]=C(N)N)C(=O)[O-])CC1O,0,GDB ChEMBL
307905,CC1CC2(CC3CC3)C[NH+](CC2N)C1C,0,GDB ChEMBL
194515,CC1CCC=C(C23CC[NH+](CC2)CC3)C1=O,0,GDB ChEMBL
26614,CCC12C(N)C[NH2+]C1CC2(O)CC(=O)[O-],0,GDB ChEMBL
161428,C[NH2+]CC1C=CCC(O)C=C1C1CCCC1,0,GDB ChEMBL
263831,C#CCC1(C)CC1c1c(F)cccc1F,0,GDB ChEMBL
132420,COC(=O)NC1CC2CNC(=[NH2+])OC(C)C1[NH2+]2,0,GDB ChEMBL
355374,N#CC1CC2CN(C1)C1C(O)C(O)C[NH2+]C21,0,GDB ChEMBL
375856,N#CC12[N-]C(=O)C1C(C(O)CO)OC2=O,0,GDB ChEMBL
300729,CC1=CC2(CCCCC(F)(F)F)CC2CC1,0,GDB ChEMBL
151096,C#CC(C[NH2+]C)CC1COC(C=O)C1(C)CC,0,GDB ChEMBL
41602,CN(CC=O)c1cc(O)c(Cl)cc1O,1,GDB ChEMBL
53685,CCC[NH+]1CC2C3C1CC(O)C23C,0,GDB ChEMBL
132237,CCC1N(c2nc(C)ns2)C1(C)CO,0,GDB ChEMBL
215732,CCCc1nonc1NC(C)=O,1,GDB ChEMBL
13134,CC(=O)Nc1c(Br)cc(CO)nc1N,1,GDB ChEMBL
240819,COC(C)C1C2C([NH3+])C1C1CCCC12,0,GDB ChEMBL
340115,N#CC1CC2C3CC(CC(=O)[O-])CC(O3)C12,0,GDB ChEMBL
296386,CC1C=CCC2C(C)C(C)CCC12,0,GDB ChEMBL
392262,C#CC1(C)C[NH+](C)CC1CO,0,GDB ChEMBL
13184,C#CC1(C(C)(C)OCCCCC(C)C)CC1,1,GDB ChEMBL
101942,[NH3+]CC(CCNC=O)C1OCCO1,0,GDB ChEMBL
304138,CCn1nc(NC(=O)C[NH3+])c(Cl)cc1=O,1,GDB ChEMBL
259632,CCCC1=C(C#N)CC(OC)C1CCCO,0,GDB ChEMBL
9720,CCC1C=C2C(C1)CN(C)C2C#N,0,GDB ChEMBL
85697,CCCC(=[NH2+])NCC(O)C(O)C(C#N)=N[O-],0,GDB ChEMBL
122892,CCCCC1OC(C)CCC1O,1,GDB ChEMBL
39980,CN1CC2[NH2+]C3C(OC2C3O)C1=O,0,GDB ChEMBL
280806,C[NH2+]C(C)(C)C12CC[NH2+]C(CC1)C(O)CC2C,0,GDB ChEMBL
112469,COC1CCN(C(=O)NC=O)C1=O,1,GDB ChEMBL
156490,CC#Cc1cc(I)c(OC)cc1C[NH3+],1,GDB ChEMBL
151211,Cc1cc2c(cc1Cl)CC1(C)CCCC=C21,1,GDB ChEMBL
33168,CCC(C[NH+]=C(N)N)C1(CCCO)CO1,0,GDB ChEMBL
301464,CC(C)C#CCC(C)[NH3+],1,GDB ChEMBL
398170,CCC(C)C1C(C)OC2(CCO)CC12,0,GDB ChEMBL
161930,C[NH+](C)Cc1cnc(F)c2ncccc12,0,GDB ChEMBL
222079,CCC1=CC([NH3+])(CC(=O)[O-])CC1,1,GDB ChEMBL
347931,CC[NH+]1CC(C)CC(C)=CC(C)C1(C)C,0,GDB ChEMBL
312545,CCN1CC2CC(C)C[NH+]2Cc2cc(C)sc21,0,GDB ChEMBL
223268,CCNc1c(C)ccc(I)c1OC,1,GDB ChEMBL
228879,CC1(C)COCC([NH3+])C(O)C(O)C(=O)NC1=O,0,GDB ChEMBL
291477,CC1CNC(=O)CC2(CNCC([NH3+])C2)N1,0,GDB ChEMBL
259520,CCCC1CC=C2CCCC2OCC1,0,GDB ChEMBL
324050,C[NH2+]C1CN(C2COCC(C)C2C=NO)C1,0,GDB ChEMBL
159889,CNc1cc(Br)nc2c1ccn2CC(=O)CO,1,GDB ChEMBL
61705,CC#Cc1ccc(Cl)c(Cl)c1C1CCCC1,1,GDB ChEMBL
71711,CCOCC(C)c1ccc(NC)c(Br)c1C=O,1,GDB ChEMBL
372483,[NH3+]C1CCCC(N2CCCCCC([NH3+])C2)C1,0,GDB ChEMBL
151838,CC1(C([NH3+])CC[NH3+])OC2CC1C2,0,GDB ChEMBL
152487,CCC(CC(C)C)(CC1CCCC1)C(C)(C)C,0,GDB ChEMBL
92325,CCCC1C2CCCCC2C2CCC(C)(C)C12,0,GDB ChEMBL
24752,C[NH+]1CCCC(O)C12CC2,0,GDB ChEMBL
38503,O=C([O-])C1CCNc2n[nH]c(n2)C[NH2+]C1,0,GDB ChEMBL
306364,CCCC12NC1S(=O)(=O)NCC(C)NC2=O,0,GDB ChEMBL
101486,C#CCC1CCC2=CCC(C(C)C)CC21C,0,GDB ChEMBL
95187,N#CC(N)C1CC2CC1OC2=O,0,GDB ChEMBL
29740,C#CCN1CC(N)(CO)C(CCOC)NC1=[NH2+],0,GDB ChEMBL
182903,C#CC1COC(=N)NC(=O)N1C,1,GDB ChEMBL
352846,CC1=CC(C)CC1C1(C)CCC(C)C1O,0,GDB ChEMBL
75857,C#CC1C2C[NH+](C(C)CC(O)CCC2C)C1C,0,GDB ChEMBL
6142,CCC[NH2+]CC1(C)CCCC1CC,0,GDB ChEMBL
122936,CNC(=O)C(=O)n1c(N)nccc1=O,0,GDB ChEMBL
316291,CCC1(C)CC2CCCCC1(C)C2C(C)[NH3+],0,GDB ChEMBL
339926,Cc1sccc1C(O)C(=O)OCCC=O,1,GDB ChEMBL
208346,CC(=O)CC1=CC(C)(C)OCC1,1,GDB ChEMBL
193259,CC#CCc1cccc(NCC)c1N,1,GDB ChEMBL
185333,[NH3+]CCC1(C[NH3+])CC1c1c[nH]cn1,0,GDB ChEMBL
259641,N#CC12CCC1C(=O)NCC2N,0,GDB ChEMBL
115432,CC(=O)Nc1nn(C)c2c1CC(C[NH3+])NC2=O,0,GDB ChEMBL
61801,CC1C2=CCC(C)(C2)[NH+]2CCC1(C)CC2,0,GDB ChEMBL
375574,CC1CC(N2CC3CC(C2)[NH2+]3)C1,0,GDB ChEMBL
163361,C1=CCC2C(OC1)C1C[NH+]2C1,0,GDB ChEMBL
8778,C#CC1CCCCC1(CCC)CC(C)CCC,0,GDB ChEMBL
322955,CC1(C)CC(O)CC(O)C(C(N)=O)[NH2+]1,0,GDB ChEMBL
112462,NC1CC(C([NH3+])C(O)CO)OC1=O,0,GDB ChEMBL
173957,C[NH2+]C(C)CNC(CO)C(=O)[O-],1,GDB ChEMBL
372520,CC(CCC=O)Nc1ncncn1,1,GDB ChEMBL
103533,O=C([O-])CC1CC(=NO)C(=O)O1,1,GDB ChEMBL
292904,CCC(C)C([NH3+])C1(C)CC(C)(CC)CCCO1,0,GDB ChEMBL
171277,FC(F)(F)Cc1c(I)cc(I)cc1C(F)(F)F,1,GDB ChEMBL
249553,CC1=CCCC(C)(O)C(N)=[NH+]CC1,0,GDB ChEMBL
385639,CCC1(O)C2([NH3+])CN(C)C(=O)NC21C(C)C,0,GDB ChEMBL
251865,C#CC12COCCC1OC(CCC)COC2=O,0,GDB ChEMBL
225360,CC(O)C1C(C2(C(=O)[O-])CO2)N1C,0,GDB ChEMBL
376056,CS(=O)(=O)[N-]C(=O)C(O)Cn1nccc1[O-],0,GDB ChEMBL
288456,CCOC1CC1COC(=O)CC,1,GDB ChEMBL
398795,C#CCC1CC(CN(C)C(=O)NC)C1,1,GDB ChEMBL
382158,C#CCC(C)(C)CC(=O)CCC(C)CC(C)C,1,GDB ChEMBL
149353,CCC(=[NH2+])N1CC2CCC1CC2,0,GDB ChEMBL
330498,N=C(N)N(CCNC=O)C(=O)C[NH3+],1,GDB ChEMBL
326470,CCCCc1ccc(O)c(I)c1C1CCCC1,1,GDB ChEMBL
68505,OCCC1CC1CC(F)(F)F,1,GDB ChEMBL
296303,CCC(C[NH3+])C1CC(C)=CCCO1,0,GDB ChEMBL
358867,CC1COC(OS(N)(=O)=O)C1[NH2+]CCO,0,GDB ChEMBL
324065,CCC(NC)=[NH+]CCNC(=O)CC[NH3+],0,GDB ChEMBL
375586,COC(=O)Cc1noc(C)n1,1,GDB ChEMBL
43915,O=C([O-])C1[NH2+]CC2CS(=O)(=O)NC2C2OC12,0,GDB ChEMBL
48120,CC1CC2(C)C(C)CC[NH+](C)CC(C)(C)C2O1,0,GDB ChEMBL
261181,CC(C=O)c1cc2cn(C)nc2cc1N,1,GDB ChEMBL
151247,CCCC1CCC(CC(C)(C)CCC)C1CC,0,GDB ChEMBL
55509,C#CCC1CC(C#N)CC12C[NH+](CC)C2,0,GDB ChEMBL
3765,CCOc1cn2c(n1)CNCC2,1,GDB ChEMBL
291871,CC[NH+](C)C1CCC(C2[NH2+]C2(C)C)CC1O,0,GDB ChEMBL
141755,CCC1CN(C=[NH+]C)C(C)C(CNC(N)=[NH2+])O1,0,GDB ChEMBL
112896,CCC(C)c1cc(C)c(C(C)[NH2+]C)ccc1=[NH2+],0,GDB ChEMBL
116346,C[NH2+]C1CC=CCN(C2CC2OC)C1,0,GDB ChEMBL
180843,CCC1C=CCC(C)C(O)C1C(C)C,0,GDB ChEMBL
10608,CC1C(C)C1(CO)C(C)[NH+](C)C,0,GDB ChEMBL
258707,C[NH2+]CC1(C(N)=O)OCC1(N)C[NH+]=C(N)N,0,GDB ChEMBL
250620,CN1CC(C2=[NH+]C(CO)CCN2)C1=O,0,GDB ChEMBL
38747,NC(N)=[NH+]C1C(=O)NC(C(O)CO)C1O,0,GDB ChEMBL
338513,CC(NC(N)=[NH2+])C(C)(CO)C(C)C(N)C#N,0,GDB ChEMBL
37146,O=C1CC2C(=O)NC=CC(O)CC2N1,0,GDB ChEMBL
314169,CNC(=[NH2+])C1(N(C)CCO)CC([NH3+])C1,0,GDB ChEMBL
9904,O=C1OC2CNC3COC2C13,0,GDB ChEMBL
277881,[NH3+]CC(O)C1(CO)C([NH3+])C1(O)C(=O)[O-],0,GDB ChEMBL
31766,CCC1[NH2+]CC2NCC(CC2C(C)C)C1O,0,GDB ChEMBL
1512,Nc1cnc(=O)c(C(=O)c2cscn2)cn1,0,GDB ChEMBL
132545,CCC1CC[NH2+]CCC2CC(=O)N(C1)C(C)C2,0,GDB ChEMBL
171328,C=CCCC1[NH2+]CC2CC1C2(C)C,0,GDB ChEMBL
345490,C#CC1=[NH+]C2CCC(CN1C)C(C)C2,0,GDB ChEMBL
150105,CC(CC[NH3+])CC1(O)C(O)C1O,0,GDB ChEMBL
369345,CC1CC(=[NH2+])NC=CN(C)C1=O,0,GDB ChEMBL
252890,CC(C[NH3+])C1CCC2CCC(CC2)C1,0,GDB ChEMBL
277387,CC(=O)CC1CCC(c2nnc(C)o2)C1,1,GDB ChEMBL
338634,C#CC(C#C)(C[NH2+]C)C(C)CC,0,GDB ChEMBL
142957,CC12C(O)CCNC1C([NH3+])(CC(=O)[O-])C2O,0,GDB ChEMBL
1508,C[NH2+]C(C)C12CCOC1=NCCC2C,0,GDB ChEMBL
28956,CN1CC(C#N)C(=N)NC1=O,1,GDB ChEMBL
294485,C#CCNC(C)C([NH3+])COCC([NH3+])CC,0,GDB ChEMBL
361758,CCCC1=CCn2c1cc1cc(C)ccc12,1,GDB ChEMBL
214905,CC(=O)c1c(N)cc(I)nc1NC1CCC1,1,GDB ChEMBL
201983,CCC(CC[NH2+]C)N(CC)C1=[NH+]CCCCC1,0,GDB ChEMBL
172731,CC(CC(C)(C)[NH3+])C(C)C(C)(C)[NH2+]CC(N)=O,0,GDB ChEMBL
142961,CC(CO)[NH+]=C(N)C1C(N)C[NH2+]C12CC2,0,GDB ChEMBL
342382,CC12COC3CC(O)(C1)C(C[NH3+])C32,0,GDB ChEMBL
342393,NC(C(=[NH2+])NCCO)C1CC1,0,GDB ChEMBL
366897,C#CC(CN1CC1)C(=C)CCCC,0,GDB ChEMBL
269321,CCCCC(C1CC=CC1)C1CC1C(C)C,0,GDB ChEMBL
358918,CC(C1CC1)C(O)C(O)(C(N)=O)C(C)[NH3+],0,GDB ChEMBL
250556,C[NH2+]CC(C=O)CC1C=CC(C(C)(C)C)O1,0,GDB ChEMBL
70931,C#CC(CC(C)C)c1ccc(C(C)CC)cc1,1,GDB ChEMBL
79588,CCC(C#N)C1CCC1,1,GDB ChEMBL
127727,CC=CC1CC=CCCCC=CC1,1,GDB ChEMBL
331699,N#CCC#CC[NH+]=C(N)N,0,GDB ChEMBL
353566,CC(C)OC(=O)C1CCCC1C,1,GDB ChEMBL
48159,CCC1(C2=CCC(=O)NC2CS(N)(=O)=O)CC1,0,GDB ChEMBL
222881,C1=CCC2CC3CC2[NH2+]CC3C1,0,GDB ChEMBL
19373,CCn1c(I)c(CCC#N)c(C)nc1=O,1,GDB ChEMBL
129377,CCNC(=O)C#CCC(CC)C([NH3+])CC,0,GDB ChEMBL
3760,NC(=O)Nc1c(O)nc(O)nc1F,1,GDB ChEMBL
341319,CC1COC2C(C([NH3+])C(=O)N1)C2S(=O)(=O)[O-],0,GDB ChEMBL
40444,NCC1CNC(=[NH+]CC(N)=O)N1,0,GDB ChEMBL
26933,COCC1[NH+]=CNCC1C(C=O)N(C)C(N)=O,0,GDB ChEMBL
86749,CCCCC1CCC(C(F)(F)F)CC1CCC,0,GDB ChEMBL
36056,CC1=C(C(C)O)C(=O)OCC1,1,GDB ChEMBL
252663,CNC(=O)C1C2CC(C(=[NH2+])N2)C1O,0,GDB ChEMBL
228346,C=CCCC1CC2CC2C1(C)CC,0,GDB ChEMBL
310154,C#CC(OCC)C1C(CO)OC(C)C1(C)C,0,GDB ChEMBL
139843,CC(=O)NCC1([NH3+])CC(CC(C)O)C1,0,GDB ChEMBL
301482,CC1C2CC(=O)OC1C1CC21,1,GDB ChEMBL
341860,COC1(CC(=O)[O-])C(O)C(N)(C(N)=[NH2+])C1O,0,GDB ChEMBL
190792,CC1CC=C(CC(N)=[NH2+])C(=O)N1C,0,GDB ChEMBL
358568,CN=C1NCCC=CC(O)C2C=CN1C2=O,0,GDB ChEMBL
107628,CCC1CC(O)C(C[NH3+])C(O)CC1C(=O)NC,0,GDB ChEMBL
155099,CC1([NH3+])CNC2CC(C1)NC(C(N)=O)C2O,0,GDB ChEMBL
391286,COCC1C=CC2(CC2)C(=O)N1,1,GDB ChEMBL
304081,CNC(=O)CC(OC)C(C)(NC=O)C(=O)C#N,0,GDB ChEMBL
143835,CCc1cn(C(C)CC)cc1O,1,GDB ChEMBL
83094,CCC12CCC(C)C(C)(C1)OC2,0,GDB ChEMBL
39910,C#CCC1(C)OCCC1C(C)CC(C)C,0,GDB ChEMBL
226232,CCOCC[NH+]=C1NC2C(=O)OC(C)C2(C)N1,0,GDB ChEMBL
70303,COC1C(C)NC2(CC[NH3+])C1C2(N)C#N,0,GDB ChEMBL
245545,N=C1C(C(O)C[NH3+])C2CC([NH3+])CCC(=O)N12,0,GDB ChEMBL
140318,CC(C)=CCc1ccc(F)c(F)c1,1,GDB ChEMBL
156771,C[NH+](C)C1CCC1C[NH3+],0,GDB ChEMBL
89700,CC12CS(=O)(=O)NC1C2C(C[NH3+])C(=O)[O-],0,GDB ChEMBL
195215,[NH3+]C1CC2(O)CNC(=O)C12,1,GDB ChEMBL
385933,COC1C([NH3+])C2CC(C)C1CNS2(=O)=O,0,GDB ChEMBL
40911,C#CC1(c2cncs2)OC(=O)C(NC)C1CC,0,GDB ChEMBL
201716,CCCC1NC(=N)NC(=O)N(C(C)C[NH3+])C1=O,0,GDB ChEMBL
309622,CC(C)Oc1nccnc(=O)c1C1CCC1,0,GDB ChEMBL
116051,[NH3+]CCC1NC(=O)C([NH3+])C1O,0,GDB ChEMBL
179159,[NH3+]CCC(O)C1=CCOC1,0,GDB ChEMBL
235223,CS(=O)(=O)CC1C(O)C1NS(C)(=O)=O,0,GDB ChEMBL
241118,CC(=O)C1CC(=O)C=CC(C(C)C)N1C,1,GDB ChEMBL
201076,COC(=O)NCC(C)N1CCC1=O,1,GDB ChEMBL
4928,C#CC1C([NH3+])C(NCC[NH3+])C(OC(N)=O)C1O,0,GDB ChEMBL
390506,CC(C)CC(CC#N)Cc1cc(Br)cnc1Br,1,GDB ChEMBL
273808,C[NH+]1CC2CCCC1(C1(C)CCC1)C2,0,GDB ChEMBL
271060,CC(O)C1C(O)C(C(O)C=NO)CC[NH+]1C,0,GDB ChEMBL
263834,NC(=O)OCCN(CCO)CC(=O)C(N)=O,1,GDB ChEMBL
279280,CCC1C(O)C2C=CC1(OC)CCO2,0,GDB ChEMBL
379738,CC[NH+]1CC=CCC2CCC(CO)(O2)C1C,0,GDB ChEMBL
288592,CC(O)C(O)C1NC(=O)C(C(N)=[NH2+])C1=O,0,GDB ChEMBL
197050,CC1CC1C[NH+]1CCC=CC1C,0,GDB ChEMBL
190472,CC(CCO)C(C)C1CC1C,0,GDB ChEMBL
281985,CN1C(=O)NC2CNC(C3=NCCO3)C(O)C21,0,GDB ChEMBL
395110,CC1=Cc2cc(F)ccc2C(O)C1C,1,GDB ChEMBL
177106,CC(CC(=[NH2+])NCCC(=O)[O-])OCC#N,0,GDB ChEMBL
385493,CNC(=O)NC1C(C)C(C)C(O)C(N)C1[NH2+]C,0,GDB ChEMBL
39983,CCCC1(O)C2C(C[NH3+])CNC21C#N,0,GDB ChEMBL
180995,CC1CC[NH2+]C(C)C(N)C1NC(N)=[NH2+],0,GDB ChEMBL
207330,C#CC(C)(C)C(C)(CC)c1c(C)cccc1Cl,0,GDB ChEMBL
99657,CN1C(=N)N(Cc2nn[n-]n2)C(C=O)C1=O,0,GDB ChEMBL
318342,N=C1NC(=O)OCC(C[NH3+])CC2(O)CN1C2,0,GDB ChEMBL
227892,CC(=O)c1cc(C(N)=O)n(C)n1,1,GDB ChEMBL
167281,NC(=[NH2+])CC1COC2CC(N1)C([NH3+])C2C(=O)[O-],0,GDB ChEMBL
292710,C#CC(C)CCC(C)(C)c1cc(C)ncc1Cl,1,GDB ChEMBL
308253,Fc1cccc2c1CC1CC2C=CC2CC21,0,GDB ChEMBL
61986,CC1CC2COC(C[NH3+])(C2)C(=O)N1,0,GDB ChEMBL
234267,CCc1cccc(CC(CC)C(C)(C)CO)c1,0,GDB ChEMBL
133993,COC(=O)C1OC12CC(O)C2,1,GDB ChEMBL
283429,CCCCC1CC(CC(F)(F)F)C2C(C)C12,0,GDB ChEMBL
217712,CC1(C)CC(C2CCC([NH3+])C2)C([NH3+])CO1,0,GDB ChEMBL
18327,NC(=O)C1CCOC(=O)C(N)C1(O)C(=O)[O-],0,GDB ChEMBL
215459,NC(C(=O)NCc1nc(CO)ns1)C(O)C[NH3+],0,GDB ChEMBL
184130,C#CCCCc1cc(C)c(Cl)c(CCCC)c1,1,GDB ChEMBL
244457,C#CCC1CC1C(C)CCCC,1,GDB ChEMBL
11678,CCC1C(CC(C)C)C(O)C([NH3+])(CC)C1C[NH3+],0,GDB ChEMBL
76468,C=C(CCC=O)C(=C)C(O)CCC,0,GDB ChEMBL
66705,CC(O)C([NH3+])C1C(C)[NH2+]C1C(=O)[O-],0,GDB ChEMBL
1476,CC1CC(C[NH3+])CC(C)(Cc2ccsc2)C1,0,GDB ChEMBL
204155,O=C1OCC(O)C2C1C1(CO1)C1CC[NH+]2C1,0,GDB ChEMBL
33248,C#CC([NH2+]C)C(CNC(=O)C[NH3+])C(C)C,0,GDB ChEMBL
383702,CCCN1CCCC1=O,1,GDB ChEMBL
319792,CCC1CC2C(=O)C1C1CC(C)CC21C,0,GDB ChEMBL
131914,COCC(C)(C=NO)C1=CC[NH+](C)CC=C1,0,GDB ChEMBL
38603,C#Cc1cc(OCC)n(CC)c1N,0,GDB ChEMBL
218596,COC1CNC(C2(C#N)NC2C=O)C1,0,GDB ChEMBL
337978,C#CCC(CC)C1OC(C)CC=C1C,0,GDB ChEMBL
228384,C#CC(C1=CCCC(C)CC1)C(C)(C)CC,0,GDB ChEMBL
378935,C[NH+](CC(=O)[O-])C1(C)C=CS(=O)(=O)NCC1,0,GDB ChEMBL
207403,CC1C2CC(O)[C-](C(=O)N(C)C2)S1(=O)=O,0,GDB ChEMBL
184124,CC1=C(N(C)C)CCC1=O,1,GDB ChEMBL
140298,O=C1CC2C3CCC3C(C1)C21CC1,0,GDB ChEMBL
136497,NC1=[NH+]CC(=O)N(C2C[NH2+]C2)S(=O)(=O)CC1,0,GDB ChEMBL
362696,Cc1ccc(C(C)C2CCCCC(O)C2)cc1,1,GDB ChEMBL
375461,CC1CC(O)(CC#N)C2CC1CCC2O,0,GDB ChEMBL
217723,CC[NH+](C)CCc1cncc(O)c1F,0,GDB ChEMBL
300249,CC1=CC2C(C1)C2C(C)(C)N(C)C(=O)C[NH3+],0,GDB ChEMBL
206849,C[NH2+]C(C)C1OC(=O)C(O)C1=O,0,GDB ChEMBL
344337,C[NH2+]C1COC(=O)C2C(C)OC(=O)C12,0,GDB ChEMBL
200980,CC1CC(C(N)=[NH2+])NC(=O)C(O)C1([NH3+])CO,0,GDB ChEMBL
368175,CC([NH2+]CCC1OC1C)C(N)=O,0,GDB ChEMBL
169051,CCC1[NH+]2CCC(N(C)CC2)C1(C)C[NH3+],0,GDB ChEMBL
318756,CC1(C(O)C[NH3+])CCC1CC#N,0,GDB ChEMBL
345433,N#CC1COC2=NC(CO)C(C(N)=O)CN2C1,0,GDB ChEMBL
365816,CC(O)C1CC(C)(C)[NH+](C)C1C#CC(N)=O,0,GDB ChEMBL
61844,CCC(C)(CC[NH3+])NC1=CC(=O)OC1,0,GDB ChEMBL
300008,CCC12C3CCC1C2c1ccc(Br)cc13,1,GDB ChEMBL
207909,CC(C#N)CC(C=O)(C=O)CO,1,GDB ChEMBL
22559,CN(C=O)C(C[NH3+])C1CCC(CC(N)=[NH2+])CC1,0,GDB ChEMBL
125557,CCC(C)C(C[NH3+])CC1CCC(C)C12CC2,0,GDB ChEMBL
234520,CCC1(C)CC(C)OCCC1C,0,GDB ChEMBL
180955,C[NH2+]CCCC(=O)CN1C(=[NH2+])NC=CC1C,0,GDB ChEMBL
230378,N#CC(CCO)NC(=N)COC1CC1,1,GDB ChEMBL
292704,CCC(C)C[NH+](CC)C1(CC)CCCCCC1,0,GDB ChEMBL
147926,CCCC(C)(CC1=CCC(C)C1)C(C)C,1,GDB ChEMBL
148203,Cc1cnc(F)c(C2CCC2)c1,1,GDB ChEMBL
345477,CC(C#CC1CC1)C(C)[NH+](C)C,0,GDB ChEMBL
201057,[NH3+]C1C2CC(O)C1CNC2=O,0,GDB ChEMBL
186593,CC12C=C(C#N)C(CNC(=O)CC1)C([NH3+])C2,0,GDB ChEMBL
232071,CC(O)CCOc1cnnc(N)c1C=O,1,GDB ChEMBL
233474,CC1CC=CCC[NH2+]C1CCO,0,GDB ChEMBL
247235,NC(=[NH2+])N1CCC(N)(C(=O)[O-])C1,0,GDB ChEMBL
132566,CCN(C=NC)C(=O)C(=O)[O-],1,GDB ChEMBL
344315,CNC(C#N)C(N)C(C)(O)C(C#N)C(=O)[O-],0,GDB ChEMBL
386395,CCC1CC2(C)C(C[NH3+])C2C(C)NC(=O)N1,0,GDB ChEMBL
207378,NC(=[NH2+])NC1CNC(=O)C2CC1C2[NH3+],0,GDB ChEMBL
288455,C[NH+]1CC(O)CCC(OCC[NH3+])(C(N)=[NH2+])C1,0,GDB ChEMBL
8770,CC1CCCC2CC(=O)C=CC12,1,GDB ChEMBL
104406,COC(=N)NC(C(N)=O)c1ncon1,1,GDB ChEMBL
388283,CC(C(=O)[O-])[NH+]1CC2CC1C1C(O)C21,0,GDB ChEMBL
317589,C[NH2+]CC1CC1(C)OC,0,GDB ChEMBL
301397,CCC(CCC=O)C(C#N)C(=O)CC(C)(C)C,1,GDB ChEMBL
140369,NC(=O)NC1C(=O)NCC1(O)C[NH3+],0,GDB ChEMBL
99607,CNCc1nsc(C=O)c1OC(C)=O,1,GDB ChEMBL
124895,C[NH2+]C1CCC1C1OCCCC1C,0,GDB ChEMBL
321449,NC(=O)NC1CC2C(O)C2S(=O)(=O)CC1O,0,GDB ChEMBL
323990,CCC1(C(=O)NC(C)=N)CCCOC1=O,1,GDB ChEMBL
378233,COC1C=C(NC(N)=[NH2+])C(=O)OCC1C,0,GDB ChEMBL
79557,COc1c(Br)cc2c(C)ccc(C)c2c1Br,1,GDB ChEMBL
78336,C#CCC(CO)[NH+]=C(NC)NC(=[NH2+])NCC,0,GDB ChEMBL
288642,CCC(C)C(CC1CC1O)CC(C)(C)C,1,GDB ChEMBL
237997,N#CCC1(CO)OCOC(C(N)=O)C1O,0,GDB ChEMBL
16781,CCCC1C=C(C)C2(C)CC(C)C(C)C12,0,GDB ChEMBL
225057,CCC1CC2C3CCCC2C3C1,0,GDB ChEMBL
124139,CC(COC(=O)N(C)C)=NO,1,GDB ChEMBL
160860,O=C([O-])COC1CC[NH2+]C1,0,GDB ChEMBL
368438,CN1CC=CCCC#CC1=O,1,GDB ChEMBL
292188,C#CC1N(C)C1(C#N)COCC,0,GDB ChEMBL
120411,C[NH2+]C1(CO)C2CN(C(C)C2=O)C(C)C1OC,0,GDB ChEMBL
132274,N#CC1(CN)OCC(C(=O)[O-])C1O,0,GDB ChEMBL
205915,CC[NH2+]CC1C=CC2OCCC12,0,GDB ChEMBL
241103,C[NH2+]C1C(C)C(CO)OC(C)C2CC21,0,GDB ChEMBL
338301,C#CCCCC(C)CCC(CC)C1CC1C,0,GDB ChEMBL
194397,C=C1C(C(C)CC)CC2(CC2)C1O,1,GDB ChEMBL
179438,CCCC#CC1CC(C(C)COC)C(C)[NH2+]1,0,GDB ChEMBL
45081,CC(O)C[NH2+]CCOCC1CC(C=O)O1,0,GDB ChEMBL
29786,CCCC(CCC)CCN=C(CO)OC,1,GDB ChEMBL
262557,CCCc1cc(CC#N)c(I)cc1I,1,GDB ChEMBL
385424,CNc1nc(C)nn1C,1,GDB ChEMBL
51863,CCCc1c(C)ccc(C2CC2)c1Br,1,GDB ChEMBL
217347,CC1OC(C(O)CO)C(O)C[NH+]=CNC1C=O,0,GDB ChEMBL
325714,C#CC1CC(CCC)C2(C)CC(C)CC12,0,GDB ChEMBL
284826,O=C([O-])CC1C2OCC2C2C[NH+]21,0,GDB ChEMBL
139822,CCCCNC(CO)=[NH+]C,0,GDB ChEMBL
171331,CNC1=CC(=O)OC1,1,GDB ChEMBL
203501,CC(O)CC(=O)C#CCO,1,GDB ChEMBL
308696,CC#CCCc1nc(C)nc(O)c1C(C)[NH3+],0,GDB ChEMBL
38199,C#CC(CC)c1ccc2c(c1)CCCCC2,1,GDB ChEMBL
116064,COC(C)(C(=O)[O-])C1(C[NH3+])OC(C)CC1CO,0,GDB ChEMBL
84866,CC1CC23C4C[NH+](CC42)C3CC1O,0,GDB ChEMBL
12859,CC1C2C=CCC3C1CCC[NH+]3C2,0,GDB ChEMBL
124118,COC1CC2C[NH2+]C3C2C=C(C)C13,0,GDB ChEMBL
22827,N#CCc1cc(Cl)ccc1C12COCC1C2,1,GDB ChEMBL
350720,COC(C[NH3+])C(C)N(C)C(=O)C1=NCCCN1,0,GDB ChEMBL
36166,COc1nc(O)nc(=O)n1CC([NH3+])CC(C)O,0,GDB ChEMBL
341189,CCOCC1OC(=O)C(CO)C1=O,1,GDB ChEMBL
284844,CCN(C)S(=O)(=O)CCC1OC1CCO,1,GDB ChEMBL
330756,CCC1C2CC(=O)NCC12C,0,GDB ChEMBL
290528,CC1C=CCC1NC(=O)N1CC(O)C1,1,GDB ChEMBL
317544,Cc1ccc(C2C=CCC23CCC3C)cc1,0,GDB ChEMBL
127662,CC(=O)NCC(O)Cc1coc(=N)nc1N,0,GDB ChEMBL
362157,CCCCC1CC2C(CC)CCC1(C)C2(C)C,0,GDB ChEMBL
366911,CNC1C(=O)CC(NC(N)=[NH2+])C1=O,0,GDB ChEMBL
208274,CN(C=O)c1cc(Nc2ccccc2F)[nH]n1,1,GDB ChEMBL
136685,CC(CO)NC(=O)C(N)=O,1,GDB ChEMBL
378881,CCC1[NH2+]C2C(C[NH+](C)C)C12,0,GDB ChEMBL
61938,COc1c(C)c(CNC=O)c(N)c(N)c1F,1,GDB ChEMBL
77020,CCC1COC2OC(C)=NC2CN(CC)C1=O,1,GDB ChEMBL
203645,C=C(CCC(N)=[NH2+])C(C)OC(C)=O,0,GDB ChEMBL
55517,CCNC1CNC(C#N)C1OS(N)(=O)=O,1,GDB ChEMBL
115712,CCOC(=O)NC(C(=N)N)S(N)(=O)=O,1,GDB ChEMBL
204308,N#Cc1ncc(C23CC[NH2+]C2CC3)cc1F,0,GDB ChEMBL
269349,CC12C[NH2+]CCC1C2(O)C(=O)N1CC1,0,GDB ChEMBL
300952,CC(c1cocn1)N(C)C,1,GDB ChEMBL
369328,CCc1cc(C[NH2+]C)c(Br)c(N(C)CC[NH3+])n1,0,GDB ChEMBL
382126,N=C1CN(Cc2oncc2C(N)=O)C(=O)N1,1,GDB ChEMBL
194228,NC(=O)C1([NH3+])C2CCCC(C2)CC12CO2,0,GDB ChEMBL
383071,C[NH2+]CCOc1cnnn1C(N)=O,1,GDB ChEMBL
39789,COCC(C=O)n1cc(C(C)=O)c(N)nc1=O,1,GDB ChEMBL
296395,CC1C2CC(=O)C(O)(C2O)C1OC(N)=O,0,GDB ChEMBL
151242,CC(C)C1C(=O)CCC2(CC[NH2+]CC2C)C1O,0,GDB ChEMBL
129787,CNc1ncc(Cl)nc1Cl,1,GDB ChEMBL
288103,N#Cc1cc2c(O)cc(O)cc2c(I)c1CO,0,GDB ChEMBL
201042,Cc1ncc(C(N)=O)[nH]c1=O,1,GDB ChEMBL
271837,CCc1c(F)cc(C)c(C)c1C(C)(C)C,1,GDB ChEMBL
163417,CNC(C[NH3+])C(C)NCc1cnc[nH]1,0,GDB ChEMBL
203804,N=CNC(=O)C(=O)NCCC[NH3+],1,GDB ChEMBL
331721,C#CC(C)CC1(C(O)CC)CC1,1,GDB ChEMBL
201437,CC12CCCCC1=CCCC1CC2C1,0,GDB ChEMBL
91193,C=CCNC(=O)NC(C)C[NH+]=CN,0,GDB ChEMBL
134804,O=[N+]([O-])c1c(F)cnc2cncnc12,0,GDB ChEMBL
234959,Cc1cc(Br)c(CO)c(=O)[nH]1,1,GDB ChEMBL
103390,[NH3+]CC(O)C1CC([NH3+])C2NC(=O)OC12,0,GDB ChEMBL
252678,C[NH2+]C1C(O)C(O)C([NH3+])C1(O)C(=O)[O-],0,GDB ChEMBL
186687,CC1(C)CCC1(C)Nc1ccc(F)cc1,1,GDB ChEMBL
105953,CCNC(=O)C1OC(C)CC[NH2+]CC(O)C1N,0,GDB ChEMBL
58462,CCc1nc[nH]c1C[NH3+],0,GDB ChEMBL
106608,CCCC(NC)C(N)=[NH+]CC,0,GDB ChEMBL
191374,Cc1ccc2c(c1)CC(c1cccc(F)c1)C2,1,GDB ChEMBL
131855,COCCC(=O)C1(C)CC(C)C2CC21,0,GDB ChEMBL
100741,CN(C)C(=O)c1[nH]ccc1NCC(N)=O,1,GDB ChEMBL
106021,C#CC1C(C)C2c3ccc(F)cc3CCC12,0,GDB ChEMBL
181630,NC(=O)N1CC2(O)CC1C2,1,GDB ChEMBL
157412,O=C([O-])C(O)C1OC2COCC2O1,0,GDB ChEMBL
45707,CC1CCc2c(ccc3cc(I)ccc23)C1[NH3+],0,GDB ChEMBL
334626,COC(=O)C1C2NS(=O)(=O)C3C2C3N1C,0,GDB ChEMBL
114405,CCn1cc(OC)cncc(O)cc(C)c1=O,0,GDB ChEMBL
358910,CC1[NH2+]CC2(CC2CO)C1=O,0,GDB ChEMBL
298959,COC1(C)C(C)C1c1cccc(C)n1,0,GDB ChEMBL
70905,CCC1C=CC(CO)C1C#N,0,GDB ChEMBL
342622,CC1=CCCC2CC1C(C(C)(C)O)[NH+]2C,0,GDB ChEMBL
44086,CCNS(=O)(=O)CNC(=O)C(C)[NH3+],1,GDB ChEMBL
277123,COC(Cc1c(C)cnc(C#N)c1C)C(N)=O,1,GDB ChEMBL
292929,CCC1=CCC2C(CC)C2[NH+](CC)CCC1,0,GDB ChEMBL
251853,CC=C(C=C1CC(C)[NH+](C)C1)CC,0,GDB ChEMBL
151151,CC12CC([NH3+])CC(CO)[NH+]3CCC1C32C,0,GDB ChEMBL
148866,Cc1cccc(N2CCC(C)CC2(C)C)c1Cl,1,GDB ChEMBL
39963,C1=CC2(c3ccccc3)CCC(C1)C2,1,GDB ChEMBL
294782,O=C1CC(=O)N2CC2Cn2c1cccc2=O,1,GDB ChEMBL
70098,C[NH2+]CC1(C(=N)N(C)C(C)=O)NC1CO,0,GDB ChEMBL
362205,O=CNC(=NCCCC(=O)[O-])C(=O)[O-],0,GDB ChEMBL
244325,C#CC(CC)(CC(C)C)c1ccc(Cl)cc1,1,GDB ChEMBL
311013,C[NH2+]C(CC1NC(=O)OC1C)C(C)C#N,0,GDB ChEMBL
129576,N#CC(O)C1C(CO)NC(=O)C1N,0,GDB ChEMBL
368209,C[NH2+]CC(O)C1NCC(C[NH+](C)C)C1=O,0,GDB ChEMBL
350674,CNC(=[NH2+])N(C)C(=O)CC(N)=O,0,GDB ChEMBL
372549,CC1OC(=O)NCC(O)C(C([NH3+])C(C)O)O1,0,GDB ChEMBL
58496,[NH3+]CCC12CCCC=CC(C[NH2+]1)C2,0,GDB ChEMBL
385470,CCC(C)(O)C[NH+]=C(N)N(C)C,0,GDB ChEMBL
174807,CCOCCC(C[NH3+])CO,1,GDB ChEMBL
133179,C#CC(C#C)C(C#N)C([NH2+]C)C(C)(C)O,0,GDB ChEMBL
363125,CC(C)C(C[NH3+])COC1(C)CC1,1,GDB ChEMBL
304267,CCC(=[NH2+])NC(=N)C(O)CC([NH3+])C(=O)[O-],0,GDB ChEMBL
227959,CS(=O)(=O)Cc1coccc(O)cnc1N,0,GDB ChEMBL
266261,CC1(C2CC(O)C2)CC=CC1,1,GDB ChEMBL
126818,COCCC1=CCCCCC(C)OC1,0,GDB ChEMBL
58939,CC12OC1C1CCN(C3CC[NH2+]C3)C2C1=O,0,GDB ChEMBL
240033,CCCCCC([NH3+])(C[NH3+])CCC(C)(C)CC,0,GDB ChEMBL
34436,C[NH+](C)C1C(O)C2CCCC2(C)CC1(C)C=O,0,GDB ChEMBL
69616,CS(=O)(=O)CC1[NH2+]CC(O)C1O,0,GDB ChEMBL
99799,COC(C)C(N)C1(C#N)C2CN1CCCO2,0,GDB ChEMBL
250608,NC1=NCC(=O)C2[NH2+]CC(O)C2O1,0,GDB ChEMBL
313771,CNc1nscc1C(CO)NC(N)=O,1,GDB ChEMBL
307936,CCC1CC(C)CC2CC(C)(CC)CC12,1,GDB ChEMBL
207276,CC[NH+]1C(C)C[NH2+]C(C)C2CC21,0,GDB ChEMBL
40004,CN1CC2CCC3[NH2+]C2CC31,0,GDB ChEMBL
203125,CCC1C(CCCC(C)(C)O)C1(C)CC,0,GDB ChEMBL
305511,CC(=O)CC1CC2(C)CC[NH2+]CC1CC2,0,GDB ChEMBL
6800,CNC1C(=NO)CC2C[NH+](C)C1C2CCOC,0,GDB ChEMBL
7772,C#CCCC=CC(=C)C(CC)CC,1,GDB ChEMBL
155816,CC1CCN(C=O)C(CO)(C(C)(C)O)C(=O)O1,0,GDB ChEMBL
252736,CC([NH3+])C1(C(=O)[O-])CC(O)C(C(N)C[NH3+])O1,0,GDB ChEMBL
238184,CC1(N)C(=O)NCC([NH3+])C1(O)CC[NH3+],0,GDB ChEMBL
193224,CCC1C(C)(CC)CC2CCCC(C2)C1(C)C,0,GDB ChEMBL
260185,C#CCc1cc(C)cc(NC(C)=O)c1O,1,GDB ChEMBL
107831,CCNC1C([NH3+])CC(C)(O)C1c1cc(C)on1,0,GDB ChEMBL
348462,COC1C2C(O)CC13CC[NH+]2C3C,0,GDB ChEMBL
136424,CCC(C)c1cccc2c(Cl)cc(Cl)c(C)c12,1,GDB ChEMBL
68519,CCC1(C)CCC2CNC(=O)C(C)(C1)O2,0,GDB ChEMBL
130341,CCC1CCc2c(F)cccc2N1,1,GDB ChEMBL
288130,OC1C2CC3C[NH2+]C(C2)C1C3,0,GDB ChEMBL
87475,CCCC1C2CC=C(C)C1C(CC)C1CC12,0,GDB ChEMBL
114986,CC1=CC(N(C)C)C([NH3+])CC(C)=C1,0,GDB ChEMBL
305981,CC1=CC(C)(C)C(=O)CC1C,1,GDB ChEMBL
7415,C[NH2+]C1C2CCC(=O)CCC(C)C1OC(N)=N2,0,GDB ChEMBL
133976,CCc1ccc(Br)c2c1C=CCCC2,1,GDB ChEMBL
35002,C[NH2+]C(CC[NH3+])COC(N)=O,0,GDB ChEMBL
134444,CN1C(=O)C2(C#N)OC(=O)C1C(O)C2O,0,GDB ChEMBL
76087,CNS(=O)(=O)Oc1c(C)cc(N)cc1C#N,1,GDB ChEMBL
3939,CC1OC2C[NH2+]CCC(C2[NH3+])C1O,0,GDB ChEMBL
181729,COS(=O)(=O)NCC(C)(C)C(=O)[O-],1,GDB ChEMBL
21706,CC[NH2+]C1C=CC(C)CC1O,0,GDB ChEMBL
361997,COC1CC2(NC(=O)CC2O)C(O)C1C,0,GDB ChEMBL
119440,CC1C(O)CC2C([NH3+])CCC12C,0,GDB ChEMBL
119664,CCC1[NH2+]CCC2(C)CCC(C)CC1OCO2,0,GDB ChEMBL
256188,NC(=O)N1C(=O)NCC(C=O)N=C1N,0,GDB ChEMBL
144516,COC1C(OCCO)CC2(C)NC12,0,GDB ChEMBL
392731,NC(=O)c1c[nH]c(=O)scnc(N)c1,0,GDB ChEMBL
309188,CC([NH3+])c1cc[nH]c1C(N)=O,0,GDB ChEMBL
53690,CCC(C)CCCC1(C)CC2CCCCC2C1,1,GDB ChEMBL
321405,O=CNc1nn(CC(=O)[O-])cc1[O-],0,GDB ChEMBL
296387,CCC1COCC(C)N2C(CC[NH3+])C12,0,GDB ChEMBL
169446,C[NH+](CC(=O)[O-])C1CC([NH3+])C1N,0,GDB ChEMBL
179459,Ic1cc2ccc1CCC1CCC(CO1)O2,1,GDB ChEMBL
252528,CC(CO)[NH2+]C1COC2CC12,0,GDB ChEMBL
254986,CC1C2OCC(C[NH3+])C1(C)CC2CO,0,GDB ChEMBL
366751,COC(C)C(O)C12NC1CNC2=O,0,GDB ChEMBL
354403,O=C([O-])C1CC2C(=O)C3CN2C13,0,GDB ChEMBL
1082,CC1(CC(C#N)C[NH3+])CC(O)C=CC[NH2+]1,0,GDB ChEMBL
367785,C=CCC(C)[NH2+]C(C)C1CC1CC,0,GDB ChEMBL
109727,[NH3+]CCC(=O)N1CCN(CC[NH3+])C1=O,0,GDB ChEMBL
72441,CC1(C)CC(C(=O)[O-])C#CCCC(=O)O1,0,GDB ChEMBL
207285,CCCC1CC1C1CC=CC=CC1,0,GDB ChEMBL
122827,CC(C)CC[NH2+]CC1CC(O)(C(C)C#N)C1,0,GDB ChEMBL
201494,CCC1CC=CCC2CC=CCC1C2,0,GDB ChEMBL
11000,C1=CCC(C2=NCCO2)C1,1,GDB ChEMBL
148169,Cc1cc(Br)ncc1C(C)(C)C,1,GDB ChEMBL
143162,CC([NH3+])C1N=C(N)NC(=O)C(N)C1O,0,GDB ChEMBL
356524,C#CC1(O)CC(C)(O)CC1C,1,GDB ChEMBL
200995,CC12CC([NH3+])C1C(C(O)C[NH3+])NC2=O,0,GDB ChEMBL
179451,CC1CCCC12Cc1cc(F)c(F)cc1C2,1,GDB ChEMBL
275702,CCC1CCC2C[NH2+]C(C)C2(O)C[NH2+]1,0,GDB ChEMBL
203555,Cc1ccccc[nH]c(C)n1,0,GDB ChEMBL
113547,CC1CC2(CC[NH2+]1)C1C[NH+](C)CC12,0,GDB ChEMBL
376648,O=C([O-])c1c(O)ncnc1O,0,GDB ChEMBL
389616,OCc1ocnc1CC1CC1,1,GDB ChEMBL
358437,CCCCc1c(Br)c(C)cc2c1COCCN2,1,GDB ChEMBL
153249,C#CCC(C)C([NH3+])CCC1(CO)CCC(C)C1,0,GDB ChEMBL
140865,CC(=O)N1C(CO)C2OC(C)C(O)(C2O)C1C,0,GDB ChEMBL
258725,CCC(C)C1CCC=CCC(C)C1,1,GDB ChEMBL
194400,CCNS(=O)(=O)CC(N)C[NH+]=C(N)OCC,0,GDB ChEMBL
125581,CC1(C(C(=O)[O-])C2CCCO2)CC1O,0,GDB ChEMBL
217686,C[NH2+]C1CCC2CCC(C2)C(=O)C1,0,GDB ChEMBL
11743,CCC1CCCN(C(N)=O)C1,1,GDB ChEMBL
385917,Cc1cn(CCC#N)c(C(N)=O)n1,1,GDB ChEMBL
181391,NS(=O)(=O)CC(O)C(=O)C1CC1,1,GDB ChEMBL
271027,C[NH2+]C1CNC(=O)C1(C)C(C=O)C(O)C(C)O,0,GDB ChEMBL
274251,CCCC(C1CNC(N)=[NH+]1)S(=O)(=O)NC,0,GDB ChEMBL
208224,Cc1c([O-])c(C(N)=O)nn1C1C[NH+](C)CC1O,0,GDB ChEMBL
298938,CC1(O)C(=O)N2CC2C1C[NH3+],0,GDB ChEMBL
272549,CC1=CCC2CC2c2c(Cl)ccc(C)c21,1,GDB ChEMBL
190260,C#CC=CCC(CC)CCCC#C,0,GDB ChEMBL
354016,C[NH2+]CCCc1ccc(C)o1,1,GDB ChEMBL
157473,CCC1C2C(=NO)C(NC(N)=O)C(O)C12,0,GDB ChEMBL
168470,CC1=CC2(CCC1)CC(C)CC[NH2+]C2C,0,GDB ChEMBL
230714,CCc1csc(C(C)(C)C(C)(C)CCCO)c1,0,GDB ChEMBL
330963,CC(C)(O)CC1=CCC(O)CC1,1,GDB ChEMBL
227635,Cc1c(C(C)CC=O)c(F)cc2c1C(C)CN2,0,GDB ChEMBL
103504,CC(C)(C)OC1CCC(=O)O1,1,GDB ChEMBL
228859,C#CCNC(=O)N(C)C1CCC(O)(CO)C1C,0,GDB ChEMBL
44376,CC1CCC2C(O)C(C[NH3+])CCC12,0,GDB ChEMBL
294229,COCCNC(C#N)(C#N)COC(N)=[NH2+],0,GDB ChEMBL
87089,CNC(=O)C1[NH2+]C2C(C1O)C2(N)C(=O)[O-],0,GDB ChEMBL
73878,C#CCNC1C(OC)C(C)(C)C1S(C)(=O)=O,0,GDB ChEMBL
292247,CCC12CCCC1(CCC(C)C)CCC2,0,GDB ChEMBL
208604,CCC1C(C[NH3+])CC2CC(C)[NH2+]C1C2,0,GDB ChEMBL
194770,COc1c(C)nc(O)n1C(=O)CC(=O)[O-],1,GDB ChEMBL
61484,CCC1(CC)CC(C)(C)c2c(Cl)ccc(C)c21,1,GDB ChEMBL
258029,CCC1CC2CC([NH3+])CC1(C)OC(C)C2,0,GDB ChEMBL
64079,CCC(C)CC1CC([NH3+])CC(CO)C(CC)O1,0,GDB ChEMBL
21697,CN(C(N)=O)C1CC2OC1C(O)C2=O,0,GDB ChEMBL
54130,CC(C)C(C)(C[NH3+])CC1NC1C[NH+](C)C,0,GDB ChEMBL
141881,O=S1(=O)CCC2OC2CCC(CO)CN1,1,GDB ChEMBL
286287,C#CC1NC(=O)CC2([NH3+])C(CO)C2C1O,0,GDB ChEMBL
44087,CCCC1CC2CC[NH2+]C(C)C1C=C(C)C2,0,GDB ChEMBL
147867,CN1CC2C=CC([NH3+])(C(O)C2)C1C(N)=O,0,GDB ChEMBL
265486,CCC1CC([NH3+])C(O)CC2CC(C)C12,0,GDB ChEMBL
194448,[NH3+]CCN1C(=O)OCOCCC([NH3+])C1C(=O)[O-],0,GDB ChEMBL
34987,C[NH2+]C1C2CC=C(c3ccc(F)cc3)C21,0,GDB ChEMBL
104491,C#CC(C)C(C)(CO)CCc1ccc(Cl)cc1,0,GDB ChEMBL
320788,C[NH2+]C(C(=O)[O-])C1NC1C[NH3+],0,GDB ChEMBL
42599,CC1C=CC(C[NH3+])(CCCC(N)=O)C([NH3+])C1,0,GDB ChEMBL
41590,CC(O)C1C2C[NH2+]CCN21,0,GDB ChEMBL
227263,CCN(C)C(=O)C(N)(C#N)C1CC1,1,GDB ChEMBL
164647,CC1[NH2+]C2CC1(C)C(=O)C=CC2O,0,GDB ChEMBL
300666,Cc1ccc(NC2CC3CC2C3C)cc1F,1,GDB ChEMBL
59610,CCCC(O)C[NH2+]CC1CC(C)C2C(O)C12,0,GDB ChEMBL
317213,CCOC1CC(=O)[N-]C(C#N)C1,0,GDB ChEMBL
56651,[NH3+]C1C2=NCCN2C(C(=O)[O-])C1O,0,GDB ChEMBL
356547,NC12C[NH2+]C(CC3OC31)C2C(=O)[O-],0,GDB ChEMBL
365824,CCCC(CC)OCC(=O)[O-],1,GDB ChEMBL
138394,CC1(C(N)=O)Cc2c[nH]nc2CO1,0,GDB ChEMBL
379184,O=Cc1ccc(OC(=O)C2CC2O)c(Cl)c1,1,GDB ChEMBL
216524,CCC(=O)OCC1NC1C(O)CC,0,GDB ChEMBL
254900,N#CCC(=O)N(C=O)C(=N)CC=O,1,GDB ChEMBL
261381,CC#CC=C(C)CC(CC)C(C)C,1,GDB ChEMBL
189853,CC(O)C1OCCCC2C3[NH2+]CC1C23,0,GDB ChEMBL
338959,C#CC1(CC)C[NH2+]C(C)CCC1C,0,GDB ChEMBL
218368,COCCN1C=CN(C)C(=O)CCS1(=O)=O,0,GDB ChEMBL
270091,C[NH+](C)C1COC(CO)C1CNC(N)=O,0,GDB ChEMBL
173916,C#CC(CC[NH2+]C)S(C)(=O)=O,0,GDB ChEMBL
147861,CC(CNS(C)(=O)=O)C(=O)C(=O)[O-],0,GDB ChEMBL
104963,COC12CC(O)C(C(=O)[O-])[NH2+]CC1C2[NH3+],0,GDB ChEMBL
164646,CC[NH2+]CC(C[NH3+])CC1C(CC)CC2CC21,0,GDB ChEMBL
374316,C#CC1CC(O)CC1=O,1,GDB ChEMBL
277084,CC1C=C2C=CCC2(C)C1COC(N)=O,0,GDB ChEMBL
40247,CC1=C2C=CCCCC2c2ccc(C)cc21,0,GDB ChEMBL
241088,C[NH2+]CCNC(=O)NC(=O)NCC(=O)CO,0,GDB ChEMBL
323981,NC1=[NH+]CCC2=CC(C1)C1CCC(=O)N1C2,0,GDB ChEMBL
153223,C#Cc1ccc(C)c(Cl)c1CC1CC1CC,1,GDB ChEMBL
305142,CC1CCC=C(Cc2ccccc2)C1,1,GDB ChEMBL
176532,C#CC1(O)C(O)C1C(C)[NH2+]CCCC,0,GDB ChEMBL
208233,CCCC1CNCC(C)(C)[NH+]1CCOC,0,GDB ChEMBL
287025,NC(=[NH2+])C1(CC(=O)[O-])C[NH2+]C(C(N)C(=O)[O-])C1,0,GDB ChEMBL
204603,CCNC(=O)NC(C[NH3+])C(N)C(=O)[O-],1,GDB ChEMBL
255495,CC1(C(=O)NC(=N)N)C2C(CO)OC(=O)N21,0,GDB ChEMBL
41142,Cc1cccc(NCC(N)=O)nc(N)oc1,0,GDB ChEMBL
185288,NC(CNC(=O)CO)C(O)S(N)(=O)=O,0,GDB ChEMBL
270999,COC1CC2(C[NH3+])OCC2C1[NH+](C)C,0,GDB ChEMBL
76681,CS(=O)(=O)NC1C2OCC1(C(N)=[NH2+])CO2,0,GDB ChEMBL
62581,CCC(CC(C)C(C)(C)C)C(C)C(C)C,1,GDB ChEMBL
149985,COCC1(C[NH+]=C(N)OC)COC1,0,GDB ChEMBL
113618,CNC(N)=[NH+]CCC1=C(C)COC1=O,0,GDB ChEMBL
304645,C[NH2+]C1C(O)C(C2(C)CCC[NH2+]C2)C2OC12,0,GDB ChEMBL
124772,NC(=O)C(CO)NC1C2CC(O2)C1[NH3+],0,GDB ChEMBL
219547,CC(O)C1OCC([NH3+])C(O)CC1O,1,GDB ChEMBL
256022,CC(C)N1c2c(N)ccn2CCC1C(=O)[O-],0,GDB ChEMBL
298185,N=C1OCC(=O)N1C(=O)C[NH+]=C(N)N,1,GDB ChEMBL
385627,CCCC1CC2C(CC)CC1(C)C2C,0,GDB ChEMBL
116068,CN1CCC2C(=O)OCC1C(=O)C2(C)C,0,GDB ChEMBL
228301,COC1CC2C=C(C)C1C=CC[NH2+]2,0,GDB ChEMBL
94637,C[NH+](C)CC1CC2C3CC1[NH2+]C23C,0,GDB ChEMBL
152499,C#CC1C(CC)C=CC(C)(C)[NH+]1CC,0,GDB ChEMBL
250535,CCC1(C(=O)[O-])C(O)COC12CC2[NH3+],0,GDB ChEMBL
204326,CC(O)C1CC2CC([NH3+])C2C(=O)N1,0,GDB ChEMBL
280680,CC1[NH2+]CCCC1(C(=N)OC(=O)C#N)C(N)=O,0,GDB ChEMBL
48083,CCC(Cc1cc(F)c(C)cc1C)CC(C)C,1,GDB ChEMBL
288169,Cn1ccc2c1CC1CC(C1)O2,1,GDB ChEMBL
299203,CCCC1CC12CCOCC2,1,GDB ChEMBL
239124,[NH2+]=C1CCC2C3C[NH2+]C(CCNC3=O)C2N1,0,GDB ChEMBL
328948,CNC(=O)C(O)C1(C)CC(O)C(=O)C1C(N)=O,0,GDB ChEMBL
255345,CCC(O)C1OCCC12C=C(C)CC2C,0,GDB ChEMBL
392297,C[NH+]=C(N)OCC(O)C(N)C([NH3+])C(C)O,0,GDB ChEMBL
328813,CCc1c(C(C)C)[nH]c2c(Cl)c(Cl)c(Cl)cc12,1,GDB ChEMBL
26427,CC(C#N)=CC1CC=CCCCC1,1,GDB ChEMBL
202038,CC12[NH2+]CC(C1C(N)=O)C([NH3+])C2(O)C(=O)[O-],0,GDB ChEMBL
361025,CCC1CC=C(C)CC(C)(C)C1,1,GDB ChEMBL
350259,NC(=O)OC1CC2C=CC1(C(N)=O)C2,1,GDB ChEMBL
102300,C#CCC(CC)(CC)Cc1cc(C)cc(C)c1,1,GDB ChEMBL
330760,C[NH2+]CC1(OC)CC(CO)C1,0,GDB ChEMBL
351403,Clc1ccc2c(c1)C1C3C4C=CC(C4)C13C2,0,GDB ChEMBL
132222,CN1c2cc(I)ccc2CCCCC12CC2,1,GDB ChEMBL
81041,O=C1NCC[NH2+]CC(C2CC2)OCO1,0,GDB ChEMBL
170268,C=CC1CC(C)([NH2+]C)C(C)CC1C,0,GDB ChEMBL
274207,C=CC1=CC(C[NH2+]C)CC(=O)C=C1,0,GDB ChEMBL
689,CCCC(C)(C)N(CC#N)C1(C[NH3+])CCCC1,0,GDB ChEMBL
124244,CCC(C)(CC#N)NCC(=O)N(C)C(=O)CN,1,GDB ChEMBL
48736,CCCC1CCC2COCC1C2,1,GDB ChEMBL
115210,N#Cc1ncc(NC(=O)N2CCCC2)nn1,1,GDB ChEMBL
338807,CCC(CCCC1([NH3+])C(C)C1C)OC,0,GDB ChEMBL
97111,C[NH2+]C1C2CC(C)(CO2)C1O,0,GDB ChEMBL
177241,CC1C2CC(C)(O)C1C(C#N)N2,0,GDB ChEMBL
283941,CCCC1(C(=O)[O-])NC(=O)C(CO)C[NH+]=C1N,0,GDB ChEMBL
90300,CCC1CCC2CC([NH2+]1)C1CC21,0,GDB ChEMBL
328863,CC1CC(C[NH3+])=CC2(CC2)NC1=O,0,GDB ChEMBL
278209,CCC12C3NC(=O)C1N2S(=O)(=O)CC3C#N,0,GDB ChEMBL
229421,CC1COCC[NH2+]C2C(C)C2C1,0,GDB ChEMBL
396141,[NH3+]C12C(=O)NCC(=O)NCC1C2CO,0,GDB ChEMBL
348635,CCCCC1(CCO)CC(CC#N)(OC)C[NH2+]1,0,GDB ChEMBL
274197,CC1C2C3CCC2(C)CC(C3)[NH+]1C,0,GDB ChEMBL
215280,CC(=O)NCC1Cc2c(C)noc2NC1(C)C,0,GDB ChEMBL
122972,CC1CC(=O)N1Cc1csc(C[NH3+])n1,0,GDB ChEMBL
123026,CCc1cc(Cl)c(C(C)CC(N)=[NH2+])nc1NC,0,GDB ChEMBL
62781,CC1CC(O)C(O)C(O)C(=O)N1C,1,GDB ChEMBL
243344,CCC1CC(C)(CCC(N)=[NH2+])C(O)C1C(C)C,0,GDB ChEMBL
127147,CCC1(C)CC(C(O)C[NH3+])C(=O)NC1=O,0,GDB ChEMBL
301168,CCCC1(CC2CC(C)C(C)C2C)CCCC1,0,GDB ChEMBL
4879,CC1C([NH3+])C(C)C2CCCC1C1CC21,0,GDB ChEMBL
314910,CC(C)NC1=[NH+]C(C(=O)[O-])(C(=O)[O-])C(C)CN1,0,GDB ChEMBL
235538,Cc1sc(C)c(C2(C)CC[NH2+]C2)c1C,0,GDB ChEMBL
41081,CN(C(=O)CO)C1=NCCN1C=O,1,GDB ChEMBL
340559,CC([NH3+])CC1C[NH+](C)CC(C)(O)C1,0,GDB ChEMBL
282011,CC(CC(O)CO)C1CC(=O)CO1,1,GDB ChEMBL
81630,O=CC1C2CC(C2)N1C(=O)C1CC1,1,GDB ChEMBL
141917,CC1OC2(C)CC1CC2C(N)=O,0,GDB ChEMBL
304071,CCNC(=O)C1C(O)C(C)C2OC21,0,GDB ChEMBL
389645,COC(=O)C1NC(C[NH3+])(C(=O)[O-])C1O,0,GDB ChEMBL
281060,CC(C)CC1(C)CCCCC(C)(C)CC(C)C1,0,GDB ChEMBL
386597,CC#CC1C(c2ccccc2F)C1(C)C,1,GDB ChEMBL
99461,N#CCN1C2CC3CC2CC31,1,GDB ChEMBL
129388,NC(=O)OC(C[NH3+])CC([NH3+])C(N)=O,0,GDB ChEMBL
20497,NC(=O)C1CC2C[NH+](CC3OCOC23)C1CO,0,GDB ChEMBL
379376,CN(C=Nc1c(C#N)cnc(N)c1O)C(N)=O,0,GDB ChEMBL
203110,CC1OC2CNC(=O)C2[NH+](C)C2(C)CC12,0,GDB ChEMBL
7378,COC(=O)c1occ(C(N)C#N)c1N,0,GDB ChEMBL
203136,CCCc1cc(Br)c(C(C)CC)cc1Br,1,GDB ChEMBL
695,CC1=CC2(c3ccccc3)CC(C)C1C2C,0,GDB ChEMBL
36168,COC1C(C)C2NC(=O)C(O)CC21OC,0,GDB ChEMBL
225190,COC(C=O)(CNC=O)Cc1nc(C)oc1C,1,GDB ChEMBL
344328,CCC1CCC1C(=O)NC(N)=NC,1,GDB ChEMBL
33116,N#CCNC1C(O)C1(N)C(N)=O,0,GDB ChEMBL
381466,CCC(CCC(=O)[O-])CC1CC2CC1[NH2+]2,0,GDB ChEMBL
184138,COC(=O)N1C2C(N)C1C2[NH3+],0,GDB ChEMBL
348625,Cc1nccnc1C1NC(=O)CC1O,0,GDB ChEMBL
112816,Cc1ccccc1C(C)CCCCCCC#N,1,GDB ChEMBL
177095,CC(CCC(N)=O)C(C)COC(N)=[NH2+],0,GDB ChEMBL
386687,CCCC1C(NCC[NH3+])C1(NC=O)C(N)=O,0,GDB ChEMBL
143466,CN(Cc1nc(CO)co1)C(=[NH2+])CCO,0,GDB ChEMBL
208379,C=C1CC(C)C=C(C)C(C[NH2+]C)C1,0,GDB ChEMBL
221900,CC1[NH2+]CC(S(=O)(=O)NCC[NH3+])C1O,0,GDB ChEMBL
254843,C#CC(=O)Nc1cc(C)cc(CCC)c1,1,GDB ChEMBL
33854,CC1CC2CC3CCC(O3)C2(C)C1,0,GDB ChEMBL
282017,Nc1c(Br)cc2cc1CNCC([NH3+])C=CC2,0,GDB ChEMBL
88127,N#CCC(O)C(O)(CO)C(=O)[O-],0,GDB ChEMBL
214421,C#CCc1cc(C#C)cc(C)c1C(C)O,1,GDB ChEMBL
92882,C#CCC1CCCNC1=O,1,GDB ChEMBL
111911,C=CC(CCC)c1cccc(Br)c1,1,GDB ChEMBL
351298,CCC1(CCCCC[NH3+])CN(C)CC[NH2+]1,0,GDB ChEMBL
221114,CCC1CC2[NH2+]CC2CC1O,0,GDB ChEMBL
103904,CCC[NH+](CC1CCC(=O)N1CC)C(C)(C)C,0,GDB ChEMBL
119382,CCC(=O)OC1(C#N)CC1,1,GDB ChEMBL
245828,C#CC1=CC([NH2+]CC)C(C)CC1(C)CC,0,GDB ChEMBL
12844,CC(O)CC12CC(O)CC(C1C#N)N(C)C2,0,GDB ChEMBL
243955,CC#CC1(O)CCCCOC1,1,GDB ChEMBL
97176,CNS(=O)(=O)C(=O)[N-]C(C#N)COC,0,GDB ChEMBL
60984,CCC1(CCCOC)CC(CC)(C[NH2+]C)C1,0,GDB ChEMBL
28946,CCC1CC(=O)CC(C)(CC(C)(C)C(C)C)C1,0,GDB ChEMBL
377967,NC(=O)C1CC2CCCOC2S(=O)(=O)N1,0,GDB ChEMBL
189786,O=C([O-])C(=O)NC=C(CO)C(=O)[O-],0,GDB ChEMBL
21678,CNC(=O)NC(CO)C(N)=[NH2+],0,GDB ChEMBL
116650,CCC1c2ccc(Br)c(N)c2CC1(C)C(C)C,1,GDB ChEMBL
157415,CCC1C(=O)N(C)CC2C(CO)C1C2CO,0,GDB ChEMBL
316463,COC(=O)C1(N)C(O)C1(O)C[NH3+],0,GDB ChEMBL
383806,O=CC1[NH2+]CCC2(CC2)CC2CCC1CC2,0,GDB ChEMBL
174288,CC1CC(O)C(C)(CN(C(N)=O)C(C)C)C1[NH3+],0,GDB ChEMBL
344361,CN(C)C(=O)c1c(CCC#N)nc(=N)sc1N,0,GDB ChEMBL
223985,CCC1(C#Cc2ccc(I)cc2)CC=CC1,0,GDB ChEMBL
313726,CC1=CCC([NH3+])CC1(C)CC#N,0,GDB ChEMBL
23947,NC1=NCCN2C(=O)COCCCC2C(=O)N1,1,GDB ChEMBL
222093,CC[NH2+]Cc1c(OC)c[nH]c1C#N,0,GDB ChEMBL
32046,CCCC1(C)CCCC(C)CC(C)CC1CC,0,GDB ChEMBL
277745,O=CC1CCOC(NCCO)=N1,1,GDB ChEMBL
152588,FC(F)(F)CCCCC(F)(F)F,1,GDB ChEMBL
148951,C=CC1(O)CNCC[NH+](CCC)C1,0,GDB ChEMBL
34813,C[NH2+]C1CCNC2(CC[NH3+])COCCN(C1)C2,0,GDB ChEMBL
203160,C#CC1(c2cccnc2)CC(C)(O)C1,1,GDB ChEMBL
132257,[NH3+]C1CC2NC(=O)C([NH3+])C3C1C23,0,GDB ChEMBL
222806,CC12[N-]C(=O)NC(=O)C(CC1O)C2=NO,0,GDB ChEMBL
95591,COCC([NH3+])CC1(CC(O)C(C)O)CO1,0,GDB ChEMBL
372100,CC(C)Cc1cc(I)c2c(c1)CCC2,1,GDB ChEMBL
314099,C[NH2+]CCC(CO)CNC=[NH2+],0,GDB ChEMBL
276319,CC1CC[NH+]2CCC=CC(O)C1CC2,0,GDB ChEMBL
82158,Cc1c(NC=O)nc2c(Cl)nccc2c1C#N,1,GDB ChEMBL
216520,C#CCCc1ccc2cc(C)ccc2c1C[NH3+],0,GDB ChEMBL
140138,CNC(=[NH2+])OCC(O)CC[NH3+],0,GDB ChEMBL
284019,CN1CC2(C)NC2(C)CC([NH+](C)C)CC1=O,0,GDB ChEMBL
215670,C#CCCc1cc(N)cc(Br)c1CO,1,GDB ChEMBL
328830,CCC(=O)OC1=NCC(CCC(C)=O)C1,1,GDB ChEMBL
61909,CC1(C)CC2CCC(C2)C2CCC(C2)C1,0,GDB ChEMBL
29601,CC(O)Cc1ncc(Br)c(=O)[nH]1,1,GDB ChEMBL
212542,NC(=[NH2+])CCC1OC(=O)CN2CC12,0,GDB ChEMBL
233411,CNC(=O)c1cc(NC)c(N)s1,1,GDB ChEMBL
92840,CCC12C=C(C)C(COC)C1C(C)OC2,0,GDB ChEMBL
383725,CC1CC2([NH3+])CCC(NC2=O)C(N)(C#N)C1O,0,GDB ChEMBL
203560,CCC1OC12CCCCC2C(F)(F)F,1,GDB ChEMBL
304137,N#CC[NH+]=C(N)C(N)CNC(N)=[NH2+],0,GDB ChEMBL
391625,C#CCC1=CC(C[NH+](C)C)C[NH+](CC)CC1,0,GDB ChEMBL
77009,NC(=O)C[NH2+]CC=Cn1cnnn1,0,GDB ChEMBL
183495,C#CC1(C(CNC(N)=[NH2+])NC)OCC1(C)C,0,GDB ChEMBL
1939,Cc1nc(CC[NH3+])c(CO)o1,0,GDB ChEMBL
382540,C[NH+]=CNC(CC[NH+](C)C)C(C)CC(=O)[O-],0,GDB ChEMBL
63150,CCC(CC(C)(C)C)C1C2CC=CCC1C2,1,GDB ChEMBL
182889,CCc1cc(O)c(I)nc1C,1,GDB ChEMBL
201665,CC#CC(C)CC(C)C[NH2+]C(C)C,0,GDB ChEMBL
215430,C[NH2+]CC(O)C(N)COc1[nH]cc(O)c1C#N,0,GDB ChEMBL
254920,CCC1CCC(C)CC2CCC(C1)C2CC,0,GDB ChEMBL
362631,COCC1NC(=O)C2C3C(NS2(=O)=O)C13O,0,GDB ChEMBL
29484,CCC12CCC(CC1C)C(OC)C(O)C2,0,GDB ChEMBL
72019,CCC1C2OC2C[NH+]1CC,0,GDB ChEMBL
378629,CC1CC2(CO)C(C1C(N)=O)C2(C)C(N)=[NH2+],0,GDB ChEMBL
17522,CCC1OCC(=NO)CC1OC,1,GDB ChEMBL
258213,C#CCC(C)C(C)=CC(C)(C)CC,1,GDB ChEMBL
325921,CC12[NH2+]CC(C(C(N)=O)NC1=O)C2C(N)=O,0,GDB ChEMBL
16747,CC(CO)CCN(C)C1=NC(C)C(=O)N1,1,GDB ChEMBL
343988,C#CC(C)=CCCc1sccc1C,1,GDB ChEMBL
211146,CCC(CC)n1cc(Cl)cc(N)c1=O,1,GDB ChEMBL
95924,C#CC1[NH2+]C2CC1N(CC)C2C,0,GDB ChEMBL
323999,CC[NH+]1C2C(C)CC(C)(C2O)C1C=O,0,GDB ChEMBL
1111,CCC1C(=O)OC1COCCO,0,GDB ChEMBL
84965,CCC(OC(C)=O)C(CC=NO)C(C)OC,1,GDB ChEMBL
36187,CCCc1c(N)ccc2cc(O)[nH]c12,1,GDB ChEMBL
302634,Cn1cc2[nH]c(=[NH2+])cc(C3CC3)c2c1C=O,0,GDB ChEMBL
155160,Cc1ncc(NCC(=O)NC(=N)N)nc1CO,1,GDB ChEMBL
93731,Cn1ncc2c1CCC(c1nccs1)CC2,0,GDB ChEMBL
133311,N#CC1C([NH3+])C(C(=O)[O-])C1CS(N)(=O)=O,0,GDB ChEMBL
331491,CCNC1C[NH2+]CCC[NH2+]C1,0,GDB ChEMBL
280282,CCc1c(C)c(N)c(O)c2c1C(CO)CCC2,0,GDB ChEMBL
205771,C#CCC(O)c1cc(I)cc(CO)c1C,1,GDB ChEMBL
284867,CC(=N)N1C(=O)CCC1=O,1,GDB ChEMBL
316326,C#CCCC(CC)CC1=C(C)CCC1,0,GDB ChEMBL
385495,CC[NH2+]CCC1C(C)C(=O)N1C,0,GDB ChEMBL
302297,C[NH2+]CC1C2CC(O)CC(C)C12,0,GDB ChEMBL
322933,CC12C(=O)NC(N)=NC1C2O,0,GDB ChEMBL
330521,C#CCCC(C)=CC(C=C)CCC,0,GDB ChEMBL
22027,C#CC1CC(C[NH3+])(CCC)OC(C)CC1C,0,GDB ChEMBL
307954,COC1C2CC1(C)C(NCCO)C(=O)O2,0,GDB ChEMBL
148820,CCC(CC)(CC(=O)[O-])Cc1csnc1[O-],0,GDB ChEMBL
358556,C#CCOc1cncc(C[NH2+]C)c1NCC#N,0,GDB ChEMBL
175536,CCC=C(C)N(CC)C(=O)C(C)O,0,GDB ChEMBL
218579,CC1(O)C(=O)OCC2CC(CO)C1(C=O)C[NH2+]2,0,GDB ChEMBL
235943,CC1OCOCC2C([NH2+]CCC[NH3+])C12,0,GDB ChEMBL
308102,C#CC12CCCc3ccc(Br)cc3C(CC1)C2,0,GDB ChEMBL
192604,CC1=CC2(COCO2)CN(CCO)C1=O,1,GDB ChEMBL
305226,CN(CC#N)C(C[NH3+])c1ncc(N)c(=O)n1C,0,GDB ChEMBL
240014,CCC1CCC(C2(O)CCC2)C1,1,GDB ChEMBL
377314,Cc1cc(C(C)OC2CC2)cc(C)c1Br,1,GDB ChEMBL
307914,N=C(CC[NH3+])NC(=O)OC1CC1,0,GDB ChEMBL
195425,N=C(N)S(=O)(=O)C1CN(C2CCCCC2)C1,0,GDB ChEMBL
361821,N#CC1(N(C=O)C=O)CC([NH3+])CC1O,0,GDB ChEMBL
10557,CC([NH3+])C1C=CC2[NH+](C)CC(C1)OC2(C)C,0,GDB ChEMBL
277943,CCc1cnn2c(O)nc(OC)nc12,1,GDB ChEMBL
254984,CCC1C=CCCCC2C(C)CC1C2[NH2+]C,0,GDB ChEMBL
322944,CC1=CC2(CO)CC1C1[NH2+]CCC12,0,GDB ChEMBL
29253,Cc1c(N)c(Cl)cc(NC2C[NH2+]C2)c1N,0,GDB ChEMBL
337933,COC(CO)C(=N)NC(=O)C(=O)[O-],0,GDB ChEMBL
20777,CCC[NH+](C)C(C)CC1OCC(C)(CCC)O1,0,GDB ChEMBL
28246,O=C([O-])C(=O)Nc1csc(=O)[nH]c1=O,0,GDB ChEMBL
152541,CC1CCCC2C3c4ccccc4CC1C23,0,GDB ChEMBL
343942,N#C[C-]1[NH+]=C(N)C2C(NC(CO)C2O)C1=O,0,GDB ChEMBL
64351,CC1(C)C2CCC1C(C(F)(F)F)C[NH2+]2,0,GDB ChEMBL
21699,NC(=O)c1nnsc1CNC(=O)CO,0,GDB ChEMBL
360802,C#CC1(C(N)=O)CC(C)=CC1O,0,GDB ChEMBL
20493,CN1C(=O)C(O)CNCC([NH3+])CS1(=O)=O,1,GDB ChEMBL
318341,C#Cc1cncc(CC2CC2C#C)c1,1,GDB ChEMBL
126653,CCCCC#CC1(C=O)COC2CCN1C2,1,GDB ChEMBL
389051,O=S1(=O)NCc2ccnn2CC(CO)O1,0,GDB ChEMBL
38579,COC(C)(CCCC#N)CC(C)(C)C1CC1,1,GDB ChEMBL
37115,CCCC(C=O)C1CCC[NH2+]1,0,GDB ChEMBL
363243,CC12CC(C(=O)[O-])([N-]C1=O)C2C#N,0,GDB ChEMBL
254863,NC(=O)CNc1cnc(=O)nc(N)n1,0,GDB ChEMBL
217374,NC1CNS(=O)(=O)C(CC(=O)[O-])C=CC1[NH3+],0,GDB ChEMBL
22519,C#Cc1cc(OCCC)c(F)c(N)c1C(C)C,1,GDB ChEMBL
306002,CCCC(C)C1(C)CCC([NH2+]C(C)C(C)C)C1,0,GDB ChEMBL
64665,CCC1CCC2C=C(C)CC(CC2)C1,0,GDB ChEMBL
147383,C[NH2+]C(C(N)=O)C1OCC1=NO,0,GDB ChEMBL
77875,C#Cc1cc(F)cc(C#C)c1C1CCC1,1,GDB ChEMBL
102279,O=C1C=CC2(C(=O)[O-])CC(CO)C2CN1,0,GDB ChEMBL
371729,C1=C(c2cc3ccccc3[nH]2)C2(CC1)CC2,1,GDB ChEMBL
287048,CC1(C)C[NH2+]CC[NH2+]CC1(C)C,0,GDB ChEMBL
291512,CCC(N)C(=O)[N-]C(=O)C#N,0,GDB ChEMBL
251842,CCCC(O)(C[NH2+]C(C)C)CC(C)C(C)(C)C,0,GDB ChEMBL
288919,Nc1ccc2c(c1I)CCCCCN2,1,GDB ChEMBL
221394,CN1C(=O)OC2CC21C(C[NH3+])CO,0,GDB ChEMBL
142338,C#CCOC1=NCC(=O)N(C)CC1(C)NCC,0,GDB ChEMBL
198791,COCC1NS(=O)(=O)C2CC1(C(N)=O)C2OC,0,GDB ChEMBL
209727,CNC1=[NH+]C(C(O)C2OCC([NH3+])C2O)CN1,0,GDB ChEMBL
258357,C[NH2+]CC(C)C1CC1C(C#N)C(C)(C)C,0,GDB ChEMBL
235560,N#CC1CNC(=[NH2+])N1C(N)=[NH2+],0,GDB ChEMBL
332418,CC[NH2+]C1C2CC(O)CC1C(C([NH3+])COC)O2,0,GDB ChEMBL
250569,CC12CCCC(C[NH3+])CC1C2O,0,GDB ChEMBL
119888,COC1C(CCO)CCCOCCN2CC12,0,GDB ChEMBL
40351,CCC(O)(COC)C1([NH3+])CNS(=O)(=O)C1,0,GDB ChEMBL
67636,CC1=CC(C)C(C(C)C)C(C)CCCCC1,0,GDB ChEMBL
355824,C#CC(CCC)C1CC2CC[NH2+]C1(C)C2,0,GDB ChEMBL
44986,CC(O)C(C)[NH2+]CC(O)CC[NH3+],0,GDB ChEMBL
305603,CS(=O)(=O)N1C2C(=O)C(=O)NC(CO)C21,0,GDB ChEMBL
380320,CC1=NCCN1C(=O)CC1CC1,1,GDB ChEMBL
49171,N#CCNC(=O)C1CNC1=O,1,GDB ChEMBL
61318,CC([NH3+])CNC(=O)n1cnnn1,1,GDB ChEMBL
398155,O=Cc1oc2cc(O)ccc2c1N1CCC1,1,GDB ChEMBL
304021,C#CC1CCC=CC2C(OC)CC1C2CC,0,GDB ChEMBL
141761,COc1cc(C)c(C(C)C)c(Cl)c1OC,1,GDB ChEMBL
273422,CNC1=NC(CC(C)O)C([NH3+])CCO1,0,GDB ChEMBL
189798,CCC1CC23CN2CC1OC3=O,0,GDB ChEMBL
300556,CNC(=O)N(C)C1(CO)CNS(=O)(=O)C1,0,GDB ChEMBL
105072,CC1CC([NH3+])C2(C(=O)[O-])OCC12,0,GDB ChEMBL
39764,CC1=CC(CC(F)(F)F)C(C(C)C)C1,0,GDB ChEMBL
252546,C#Cc1ccc(Cl)c2cc(C)c(Cl)cc12,1,GDB ChEMBL
382526,CCC(C(C)O)C1CCC(C)C(C)([NH3+])C1,0,GDB ChEMBL
96047,CCCN1C=C2C(=O)N(C)CC=C2C1,0,GDB ChEMBL
305144,CCC(=O)C(O)C1C=CC([NH2+]C(C)C)C1,0,GDB ChEMBL
302262,CC1=CC(C(C)(C)C[NH2+]C(C)(C)C)OC1,0,GDB ChEMBL
67612,N=C1NC(=N)C(N)C(O)C(C(=O)[O-])O1,0,GDB ChEMBL
204153,COC(C)C(C)C1C2[NH+]=C(N)NCC21O,0,GDB ChEMBL
265275,CC1CCCC2CC(C1)C2(C)C,0,GDB ChEMBL
130446,C1CCOC2CCC3CC2(CC1)C3,0,GDB ChEMBL
44080,CC1=CCC2(C)CC=CC2C1CCO,0,GDB ChEMBL
397946,C=C(CC)C(COC)CC1CCC1,1,GDB ChEMBL
382176,C#Cc1c(O)cccc1F,1,GDB ChEMBL
142945,COc1nsc2c1OCC([NH3+])CC(=O)N2,0,GDB ChEMBL
6840,NC(NCCN1CC1)=[NH+]CCO,0,GDB ChEMBL
120003,CCc1cccc(F)c1C(C)C1CC1,1,GDB ChEMBL
75460,N#CCC1NCC2OCCNC12,1,GDB ChEMBL
350256,CCC1C(O)C2OC2C1NS(C)(=O)=O,1,GDB ChEMBL
23964,CC12C[NH2+]CC1OC(=O)C21CCOC1,0,GDB ChEMBL
330161,O=C([O-])c1cc([N+](=O)[O-])cc[nH]c(O)c(O)n1,0,GDB ChEMBL
193255,CCC12Cc3ccsc3C1C2,1,GDB ChEMBL
110220,C#CC([NH3+])CC1(CCC[NH2+]C)CCC1,0,GDB ChEMBL
147863,CC1CC(CC[NH3+])C(CO)C1[NH3+],0,GDB ChEMBL
153211,C#CCc1c(Cl)cc(Cl)c2c1NCC2,1,GDB ChEMBL
374023,CCN1CC(C(C)C)Cc2ncc(CO)cc21,0,GDB ChEMBL
141825,CC1C(CO)[NH2+]CCC2C(N)=[NH+]C1C2C#N,0,GDB ChEMBL
61724,CCC(C(N)C#N)C(O)(C1=NCCO1)C(C)C,0,GDB ChEMBL
75812,CNC(=O)C(O)C1C(C)C(C)(O)CNS1(=O)=O,0,GDB ChEMBL
286331,CC1CC2CCCC(C)([NH2+]C2)C(C[NH3+])C(=O)O1,0,GDB ChEMBL
59617,CCCCC(=O)c1ccc(CC)cc1NC,1,GDB ChEMBL
302298,CNC1=[NH+]CC(=O)C(c2ccncc2)CC1,0,GDB ChEMBL
202039,CCC(C[NH3+])CC1C[NH2+]1,0,GDB ChEMBL
85702,CCCC12CC(C[NH3+])CC1C[NH+]2CC,0,GDB ChEMBL
385433,C=CC(C)C(C=CC)CC=C(C)C,0,GDB ChEMBL
156492,CCc1cc(N(C(=N)NC=O)C(C)=O)ncn1,1,GDB ChEMBL
338519,Cc1c(Cl)cc(N)[nH+]c1N,0,GDB ChEMBL
296350,CCc1cc(=O)oc(C)c1C1CC[NH+]1C,0,GDB ChEMBL
152628,C#CCCC(O)C(=O)NC=O,1,GDB ChEMBL
239083,COC1C(O)C2=CCOC2C1C[NH3+],0,GDB ChEMBL
399023,C[NH+]=C(N)N1CC(CC(C)=O)NC1=[NH2+],0,GDB ChEMBL
58463,CCn1cnc(Oc2cncnc2)c1,1,GDB ChEMBL
382509,COC1CC1(N)C(C)[NH2+]CCCC(F)(F)F,0,GDB ChEMBL
252347,CC([NH3+])C(C(O)C(=O)[O-])n1cnnc1,0,GDB ChEMBL
203622,CCC(c1ccc(Br)cc1)C1CCC1,1,GDB ChEMBL
140360,CS(=O)(=O)CCOC1CNC(=O)O1,1,GDB ChEMBL
79510,CCC1C(C)=CCC2CC1C(C)(C)C2,0,GDB ChEMBL
328962,CCCCC(C)C(=O)C1(O)CCC1,1,GDB ChEMBL
21748,CC1CCC(CCO)CS1(=O)=O,1,GDB ChEMBL
243382,CCOC(C[NH3+])C(C([NH3+])C(=O)[O-])S(N)(=O)=O,0,GDB ChEMBL
23613,C#CC1(CC(C)CCC)C[NH2+]C(C)C1,0,GDB ChEMBL
210289,CNC(C[NH3+])C([NH3+])C1(C)COC1,0,GDB ChEMBL
198678,CN(C)C(=O)C1CC([NH3+])CN1C=[NH2+],0,GDB ChEMBL
193772,C#CCC(C)([NH3+])C1(Cc2csc(C)n2)CC1,0,GDB ChEMBL
247598,O=c1cc(Cl)nc2n1CCN2CCO,1,GDB ChEMBL
338557,C[NH2+]C1CC2=NCCCCC1O2,0,GDB ChEMBL
191664,COC(=O)C1NCC2(c3coc(C)n3)OC12,0,GDB ChEMBL
48215,CC12CC(C[NH2+]CC1O)C1CC12,0,GDB ChEMBL
336040,COC1CC=C(C)C23CC[NH2+]CC(O)C2C13,0,GDB ChEMBL
392485,CCC1C2CC(C(N)=O)C(O2)C1O,0,GDB ChEMBL
289273,COC(=O)N1CCCCC(=NO)C(=O)C1,1,GDB ChEMBL
398943,C[NH2+]CC(N)C1(C(=O)[O-])CN1,0,GDB ChEMBL
103482,CC1CC(C)([NH3+])CNC2COC12,0,GDB ChEMBL
372227,CC(=O)NC1C2CN(C(N)=O)S(=O)(=O)C21,0,GDB ChEMBL
317959,CC1OC2(CO)C(C)CC1C2C#N,0,GDB ChEMBL
346877,CCC1=CC[NH2+]CC(C)(O)C1,0,GDB ChEMBL
358178,CC1OC2C[NH2+]CC1C2O,0,GDB ChEMBL
66699,C#Cc1c[nH]c(C)cc(C)c(C)cc1C[NH2+]C,0,GDB ChEMBL
277955,Cc1nc2c(o1)CC([NH3+])C(C)N(C)C2,0,GDB ChEMBL
377758,CC(C)(C)C1(O)C[NH+]2CCC1CC2,0,GDB ChEMBL
246761,N#CC1(N)CS(=O)(=O)NC(N)=NC1CC[NH3+],0,GDB ChEMBL
292664,CCC(C=O)C[NH+](C)C1CC1,0,GDB ChEMBL
61278,Cc1c([O-])c(F)nc([N+](=O)[O-])c1S(C)(=O)=O,0,GDB ChEMBL
349940,C#CC1CCC([NH2+]C)CC1(CC)OC(C)(C)C,0,GDB ChEMBL
322010,C#CCN1CC([NH3+])CCC2CC21,0,GDB ChEMBL
201095,C#CCNC1(C[NH2+]C)COc2cc(F)ccc21,0,GDB ChEMBL
210135,NC(=O)NC(=O)CNS(=O)(=O)CC[NH3+],1,GDB ChEMBL
385403,CCCNc1nc(F)c(F)c(C)c1CC,1,GDB ChEMBL
321969,CC1CNC(C2CN2C)C(O)C(=O)N1,0,GDB ChEMBL
316117,C1=CCC2CC3CC(C[NH2+]3)C2=CCCCC1,0,GDB ChEMBL
332356,CNc1c(C)c(=O)cc(N)c2cc(C)ncc12,0,GDB ChEMBL
115176,CCC1OC(C(=O)[O-])CS(=O)(=O)C1NC,0,GDB ChEMBL
337845,CC1=CC23CC(CO)[NH2+]C2(CC1)C3C[NH3+],0,GDB ChEMBL
178023,CN1CC(=O)C2(C=CC(=O)CC2CO)C1,0,GDB ChEMBL
108684,COC(C(=O)[N-]C(C)C#N)S(N)(=O)=O,0,GDB ChEMBL
119839,NC(=[NH2+])CC(O)C1OCC([NH3+])C1O,0,GDB ChEMBL
3014,C1CC[NH+](C2CC3CC32)CC1,0,GDB ChEMBL
386565,C[NH2+]C(CCOC)CC1(N)CCC1C(N)=[NH2+],0,GDB ChEMBL
230421,CCCCC1[NH2+]CC2(C)C1[NH2+]C1CCC(C)C12,0,GDB ChEMBL
166430,CCC(CO)NCC(=N)OCCOC,1,GDB ChEMBL
293806,O=C([O-])C(O)(CO)CCOCCO,0,GDB ChEMBL
169421,CC1[NH2+]C2C=C(CC(N)=O)C(C1O)C2O,0,GDB ChEMBL
218565,CC1c2cccc(Br)c2CC2CC1C2,1,GDB ChEMBL
87499,CC1CC(CC(=O)[O-])C(O)C(C)(N)C1[NH3+],0,GDB ChEMBL
211122,CCC1(CO)OC(OC)CC1C,0,GDB ChEMBL
325283,COCC(N)(C(N)=[NH2+])C1[NH2+]CCCC1C(N)=O,0,GDB ChEMBL
34200,Cc1ccc(C(=O)N(C)C=O)cc1Br,1,GDB ChEMBL
112483,CNC(=O)C1C([NH3+])C(O)C2(C)OC(=O)NC12,0,GDB ChEMBL
343284,COc1c(NC=[NH2+])ccc(CC[NH3+])c1I,0,GDB ChEMBL
67355,C#Cc1c(CCCC)cc2c(c1C)OCC2,1,GDB ChEMBL
126414,C#CC1CCCC(C)C1CC(C)(C)C[NH3+],0,GDB ChEMBL
274969,COC(=O)CCn1nnc2c(C#N)[nH]cc21,1,GDB ChEMBL
122877,CC1CC2[NH2+]C(CCCC1[NH3+])CC1CCC2C1,0,GDB ChEMBL
201124,CCCOCCNc1c(C=O)coc1CCC,1,GDB ChEMBL
9959,O=C1CCNc2nncc(Br)c2S(=O)(=O)[N-]1,0,GDB ChEMBL
251434,CCC(C#N)c1ccc(N)c(C)c1C,1,GDB ChEMBL
207671,CCC1CC(C)CC2CC(=O)CC(C[NH2+]1)C2,0,GDB ChEMBL
378571,C=C(C#N)S(=O)(=O)[N-]c1cc(C)on1,0,GDB ChEMBL
288729,COC(C)(CO)C(N)C(N)=[NH2+],0,GDB ChEMBL
174915,CC1CC1C1CC(O)C(CO)C12CC2,0,GDB ChEMBL
221725,CCC1CCC(C)=CC2CCCC1C2,0,GDB ChEMBL
137104,COCCC1(N)C(C)(C[NH3+])C1(N)C(N)=O,0,GDB ChEMBL
114390,CC[NH+]1CC2CC13CCC2C(O)C3,0,GDB ChEMBL
186724,NC(=O)CC1C2[NH2+]C(C(=O)[O-])C1(O)C2C[NH3+],0,GDB ChEMBL
398876,CCC[NH+](CC)C1CCNCCC([NH3+])CC1C,0,GDB ChEMBL
323365,CC(CC[NH3+])CCC1C[NH2+]1,0,GDB ChEMBL
21492,C#CC#CC1CCN(CC)C(=O)C2(CC2)C1,0,GDB ChEMBL
340486,COC1(C(N)=O)C2C[NH+]3CCCC3C21,0,GDB ChEMBL
385444,CCC(C#N)C1(C)CC[NH+]2C(CO)C(O)CC21,0,GDB ChEMBL
29955,C=C1CC(NC(=O)CO)(C(=O)[O-])C1,0,GDB ChEMBL
379697,CCCCC12CC3CC1C2[NH+]3C,0,GDB ChEMBL
362609,CC(C)C1CCCC(C)(C)C2CC2C1,0,GDB ChEMBL
71675,CCCCCC1=CC2(CN2)C(C)[NH+](C)C1,0,GDB ChEMBL
380296,CC12CC1Cc1cc(Cl)cc3c1C2CC3,1,GDB ChEMBL
319200,N=C1NC(=O)C2C3COC(CN3)CN12,0,GDB ChEMBL
187255,CC(=CC[NH+](C)CCC=O)C(N)=O,1,GDB ChEMBL
69596,CC1C[NH2+]C2CC(CO)C1C(CC1CC1)C2,0,GDB ChEMBL
80472,CC1C(C#N)NS(=O)(=O)OC1C(=O)[O-],0,GDB ChEMBL
342385,CC1CCC2C(C)C(O)C1C2C,1,GDB ChEMBL
23602,C[NH2+]CCN1CC(C#N)N(CC(C)[NH2+]C)C1=[NH2+],0,GDB ChEMBL
208410,NC(N)=[NH+]c1cc(N)c(Br)c2c1CCC2,0,GDB ChEMBL
174301,CC1CC(C(C)(C)C)C2CCC(O)C(C)(C)C12,0,GDB ChEMBL
374198,C#CCC(C#N)CC(C)C(C)C,1,GDB ChEMBL
115423,CC1=C(C)CC(OC2CCC2)C1,1,GDB ChEMBL
360841,CCCOC(C)C=O,1,GDB ChEMBL
342578,CCC(C)(C)NC(C)=O,1,GDB ChEMBL
338537,Cc1ccc(C)c2c(Br)cccc12,1,GDB ChEMBL
318794,CCCN=CNc1nc(N)c(=O)n(C)n1,1,GDB ChEMBL
6078,C#CC(C)([NH3+])C1C(=O)NCC1C([NH3+])CC(N)=O,0,GDB ChEMBL
53278,COC1C(C)C2CC([NH2+]CC23CC3)C1C#N,0,GDB ChEMBL
246760,CC1OCCCCOC1c1cc(C#N)cs1,1,GDB ChEMBL
317716,COC1C2C3CC[NH+](C(C)C3)C12,0,GDB ChEMBL
16525,C#CC1C(O)CC(O)C(C)C1NC(N)=[NH2+],0,GDB ChEMBL
77811,CC1CC2(C)CCCCCC1C2(C)C,0,GDB ChEMBL
160329,CC(CCC#CCC1CC1C)C[NH+](C)C,0,GDB ChEMBL
248633,C#CC#CCC[NH+](C)CCC,0,GDB ChEMBL
332449,N#CCC1OC1(C(N)=O)C(O)C(O)CO,0,GDB ChEMBL
277867,CNC(=O)OC12CCC(OC1)C2[NH3+],0,GDB ChEMBL
17479,C[NH+]1CCC2C3C(C[NH3+])CC1C23,0,GDB ChEMBL
73258,C[NH2+]CCCC1C2OC(=O)C1c1ocnc12,0,GDB ChEMBL
129396,Cc1c(C#N)ncc(Br)c1O,1,GDB ChEMBL
115753,CC(C)C1(O)CC1(C=O)C(=O)NC(N)=O,1,GDB ChEMBL
311045,CC(=O)N1C(C)C(O)C(C(C)C(N)=O)C1C[NH3+],0,GDB ChEMBL
20520,CC1=CCC2CCCC(C)CC1(C)[NH2+]2,0,GDB ChEMBL
91169,CC(C)CC1CC(C#CC#N)NC1=O,0,GDB ChEMBL
95928,CC(C(N)=O)C(O)C(O)(C(N)CO)C([NH3+])CO,0,GDB ChEMBL
35731,C#CC1C=Cc2c(C)c(F)cc(CC)c21,0,GDB ChEMBL
35304,CNc1cc(Br)ccc1OC,1,GDB ChEMBL
358283,N=C(CC[NH2+]Cc1ccsc1)NC=O,0,GDB ChEMBL
97757,CCN1C(=O)OCC1CS(=O)(=O)NCC=O,1,GDB ChEMBL
124252,C#CC1=CCC[NH+]2CCC3(CC3)CC2CC1,0,GDB ChEMBL
194270,C[NH2+]C(C)C1C(C)C2OCC1C2C,0,GDB ChEMBL
390515,CCN1CC23OCC=C(C)C2C3C1=O,0,GDB ChEMBL
97174,C#CCOC=NC(C)CC(C)C([NH3+])C(O)C[NH3+],0,GDB ChEMBL
317579,Cc1nc(=O)c(=O)nc(C(=O)NC(=N)N)[n-]1,0,GDB ChEMBL
159711,CCCC1CC1C1CC1C(C)O,1,GDB ChEMBL
251905,CCCn1c(N2CC2C)nc2c1ccn2C,1,GDB ChEMBL
28982,COC1C(CO)[NH2+]CC12CCC2,0,GDB ChEMBL
179295,CCC1CC2COC(C)CC2(CCO)O1,0,GDB ChEMBL
75823,CCC1CC2(C(=O)[O-])CC1OC(C)=NC2CC,0,GDB ChEMBL
199495,CCNC(=[NH2+])OCC(O)CC1C[NH2+]C1,0,GDB ChEMBL
225078,COC1(C=O)C2CC3CC[NH2+]CC3C1[NH+](C)C2,0,GDB ChEMBL
11253,CC1CCC2CC=CC[NH+]1C2,0,GDB ChEMBL
346872,O=C1[N-]S(=O)(=O)CC2COC(=O)C1N2,0,GDB ChEMBL
77739,CCC1CCC2(C)C(C1)N2C(C)C[NH2+]C,0,GDB ChEMBL
187200,COCCNc1cc(CS(C)(=O)=O)c(N)o1,1,GDB ChEMBL
6812,N#CC1CC1(CO)CO,1,GDB ChEMBL
310316,[NH3+]CC1CC2[NH2+]CC3OCCC2C13,0,GDB ChEMBL
222078,C[NH2+]C1C(O)CN2C(C)C12COC(C)=O,0,GDB ChEMBL
156180,CC(=[NH2+])NC12COC1C(C)[NH2+]C2CC(=O)[O-],0,GDB ChEMBL
297288,COCC1CC(C=O)=CN1,1,GDB ChEMBL
362860,CC(CO)Nc1c(C[NH3+])nnc(Cl)c1O,0,GDB ChEMBL
85826,NC(=O)C12NS(=O)(=O)CC([NH3+])CC1C2O,0,GDB ChEMBL
240000,CCCCCC1(C)C2C(CC)CCC21C,0,GDB ChEMBL
350004,CC1CC(O)C2(NC2C(N)=O)C1=O,0,GDB ChEMBL
46925,CN(CC1COCO1)C(C#N)C#N,1,GDB ChEMBL
103916,CC1[NH2+]C2CCOC(CC2CO)C1O,0,GDB ChEMBL
370344,CCC1CC12CC(C)C([NH3+])C(C[NH2+]C)O2,0,GDB ChEMBL
173702,CCC(C)c1ncncc1Br,1,GDB ChEMBL
277782,C=CCc1ccc(O)c(I)c1CC,1,GDB ChEMBL
110251,NC(=O)C([NH3+])COC1CCC2C(O)C12,0,GDB ChEMBL
277077,CN1C(=O)C(=O)N2CC3COC4CC1C2C34,0,GDB ChEMBL
240463,CC1CCC2CC(C)([NH2+]1)C1COC2C1CC[NH3+],0,GDB ChEMBL
260153,Cn1cc2[nH]nnc2c(C#N)c1=O,1,GDB ChEMBL
249448,CCC(O)(Cc1cc(C)c(C)cc1C)C(C)O,1,GDB ChEMBL
24296,CCC(C)N1CCCC(N)(CO)C1(C)C(N)=[NH2+],0,GDB ChEMBL
240773,N#CCCC(CO)[NH+]=C(N)NC(N)=[NH2+],0,GDB ChEMBL
259448,C[NH2+]C(C)CC1(N)C([NH3+])CCCC(C)C1O,0,GDB ChEMBL
195211,CCC([NH2+]C)C12COC(C)C1C2,0,GDB ChEMBL
250574,CC1CC(O)C2C3OC3CC(=O)N12,0,GDB ChEMBL
194387,C[NH+](CCO)CCCC12CC(CC[NH2+]1)C2,0,GDB ChEMBL
274373,C#CCC1C=CCCC[NH2+]C1C1CC1,0,GDB ChEMBL
173943,CC[NH2+]CC1NC2CS(=O)(=O)NC12C(=O)[O-],0,GDB ChEMBL
240788,CCC(C)C(C#N)N(C)C,1,GDB ChEMBL
299714,CCOCC(CCOC)C(=O)C#N,0,GDB ChEMBL
156066,CC1(CO)COC2C(C#N)CC1C2[NH3+],0,GDB ChEMBL
311352,C#Cc1c(N)c(Cl)c(Cl)c(NC)c1OC(C)=O,1,GDB ChEMBL
182524,CCC(C(C)NC=[NH+]C)C(O)C(=O)NC(N)=O,0,GDB ChEMBL
50237,CCOC1c2c(ncc(F)c2C)OC1CC,1,GDB ChEMBL
1088,CCC1(C(=O)[O-])CS(=O)(=O)C(C)CNC1C,0,GDB ChEMBL
243354,CC(C(=N)NS(C)(=O)=O)C(O)CO,1,GDB ChEMBL
101883,CC#Cc1nc(C(CC)[NH2+]C(C)C)cs1,0,GDB ChEMBL
261333,[NH3+]C1C2C[NH2+]C2CC(O)C1C(=O)[O-],0,GDB ChEMBL
65568,NC(=O)C1OC1CNC(=O)C(O)CO,1,GDB ChEMBL
353954,O=C1NC(=O)N2CC2CO1,1,GDB ChEMBL
115204,OC12C3CC=CC1C2c1cccc(Br)c13,0,GDB ChEMBL
148954,CC1CC([NH3+])C2(OC(=O)C(C)(C)C)CC12,0,GDB ChEMBL
140094,CC(CCO)CCC(O)CC1(O)CCC1[NH3+],0,GDB ChEMBL
140742,CC1CCC(C)c2cccc(c2F)NC(C)C1,1,GDB ChEMBL
142343,CCC[NH+]1CC2CC(C1)C2(C)C(CN)[NH2+]C,0,GDB ChEMBL
318151,CC1CCCC2c3cc(I)ccc3C(C)C12,1,GDB ChEMBL
197489,CCC1(C)CCCCC2C(C)CC1CC2(C)C,0,GDB ChEMBL
323149,CC1=NCC(C(=O)N(C)C)(C(C)[NH3+])C(=O)O1,0,GDB ChEMBL
312825,CCNC(C#N)CCC(C)CCO,1,GDB ChEMBL
95607,CCOC(=O)NCC=O,1,GDB ChEMBL
201056,CCCC1CC=C(C)CC=C(C)C1O,0,GDB ChEMBL
116384,CC(C)CC1CCCCC(O)(CC(C)C)C1,1,GDB ChEMBL
45044,O=C([O-])C(O)(CS(=O)(=O)[O-])C1=NCCO1,0,GDB ChEMBL
334040,C=CC12CC1[NH2+]CC(C)C2CCO,0,GDB ChEMBL
288512,C#Cc1c(C2CC2)cc2ccoc2c1NC,1,GDB ChEMBL
130881,CNS(=O)(=O)C1C2CNC(=O)NCC1O2,0,GDB ChEMBL
210380,Brc1cccc2c1CCCC#CC=C2,1,GDB ChEMBL
289954,CC(O)C(C)C1C2C=CCCCC21,0,GDB ChEMBL
234523,CC=Cc1cc(Br)nc(N(C)C)c1,1,GDB ChEMBL
333886,COC(=O)C1CC(C)(CO)[NH2+]C(C)CO1,0,GDB ChEMBL
258285,CC1(CC[NH2+]Cc2cccnc2)CC1,0,GDB ChEMBL
75440,Clc1cnc2c(n1)C[NH2+]CC2,0,GDB ChEMBL
191346,CCCNc1cn(C)c(=O)c(F)c1N,1,GDB ChEMBL
291919,CCCCCN1CC2(CO2)C1,1,GDB ChEMBL
306016,CCC1([NH3+])C(CC[NH3+])OC(=O)C1(N)CO,0,GDB ChEMBL
375887,C#CC1(CC)C2CC(CO)[NH+]1C2,0,GDB ChEMBL
251898,O=C1NCCC(C(O)C(=O)[O-])O1,0,GDB ChEMBL
61901,CCC(=O)NCS(=O)(=O)NC,1,GDB ChEMBL
358199,N#CC1(O)COC(=O)NC1C[NH3+],0,GDB ChEMBL
24242,CCC1CC(C)CCC=C1CC(N)=O,0,GDB ChEMBL
252333,CC(C)C1CCCC2(C)C1CC1CCC(C)C12,0,GDB ChEMBL
276269,COc1c(C2C[NH2+]C2)nc(N)c(F)c1C,0,GDB ChEMBL
233945,CC1=CCCC2(C)CCC(C(C)C)C(C1)C2,0,GDB ChEMBL
227633,CC1C2OC2C(C(CO)C(N)=O)N1C(N)=[NH2+],0,GDB ChEMBL
236540,COC12C(=O)OC3CC[NH2+]C1(C)C32,0,GDB ChEMBL
246415,CCCC1C2C=CCC=CC2C2CCCC12,0,GDB ChEMBL
34748,O=CCCC1COC(=O)C1CO,0,GDB ChEMBL
61838,O=CC[NH2+]CCCC1CC1,1,GDB ChEMBL
89076,CCCCC=CCCC1C=CCC1,1,GDB ChEMBL
354455,CC1N=C(NC(=O)OCCO)NCC1N,1,GDB ChEMBL
252692,C#Cc1c2c(nn1C)CCOC2,1,GDB ChEMBL
103534,C#CC1(CC(C[NH3+])C(=O)[O-])C[NH+](CCC)C1,0,GDB ChEMBL
119381,COC(=O)C1OCC(O)C([NH3+])C(=N)OC1C[NH3+],0,GDB ChEMBL
874,CCC1C(O)C=C2CC=CCCCC21,0,GDB ChEMBL
195566,C#CCCC1CCC(C[NH2+]C)CCCC1CC,0,GDB ChEMBL
234455,Cc1cc2n(CC(=O)[O-])c(=O)nc(F)n2c1O,0,GDB ChEMBL
105138,CC(=O)OC1C(C#N)C=CCC1O,1,GDB ChEMBL
225366,CCCCC1CC2OCC1C2CC1(C)CC1,0,GDB ChEMBL
160973,CCCNC=CC(=[NH2+])N(CC)CC,0,GDB ChEMBL
275598,C#CC1(COCC)OCC2CC1C[NH+](CC)C2,0,GDB ChEMBL
235707,CC1CCCC2COC(C)(C)CC1(O)C[NH2+]2,0,GDB ChEMBL
288914,CN(C)C(=O)Nc1nc(CO)n[nH]c1=O,1,GDB ChEMBL
261331,CCCc1c(C)cc(=O)c(CC)cc1O,1,GDB ChEMBL
65910,CS(=O)(=O)[N-]c1cncc(NCCO)n1,0,GDB ChEMBL
286163,NC(=O)c1nonc1C[NH+]=C(N)N,0,GDB ChEMBL
350697,NC1=[NH+]C(CO)CC([NH3+])C2OC(=O)C1C2O,0,GDB ChEMBL
119223,CC1NC(=O)OC2C(C(=O)[O-])[NH2+]C1C2O,0,GDB ChEMBL
355339,CC(C)(C#N)NCCCC[NH+]=C(N)N,1,GDB ChEMBL
266265,C#CC1(C)OC(COC)C=C1C[NH+](C)C,0,GDB ChEMBL
276062,CC(CCC[NH2+]CC(N)=O)OC(N)=O,0,GDB ChEMBL
215464,CC[NH2+]C1C(O)CC(C)(O)CC12CC2,0,GDB ChEMBL
17487,CCOCCC1(C)CC2OCCC1C[NH2+]C2C,0,GDB ChEMBL
317167,C#Cc1cc(I)c(C)c(CCC(C)C)c1,1,GDB ChEMBL
375517,CC1=CC2CC2(c2ccc(C)cc2)CC=C1,1,GDB ChEMBL
23494,O=C1NCC2CC1(CO)O2,1,GDB ChEMBL
217058,CCOCC1(C#N)CN=CN1C,1,GDB ChEMBL
355182,CC1CC(C(C)(C)C)C2CC(=O)C=CC12,0,GDB ChEMBL
384291,CCC[NH2+]CC(=O)[C-](C#N)C#N,0,GDB ChEMBL
141838,[NH3+]CC1OC2CCC1NC2,0,GDB ChEMBL
197449,C#CCC([NH3+])(CC(C)C)CC(C)[NH3+],0,GDB ChEMBL
116411,CCC1NC(=O)COc2cnoc(=N)c2C1[NH3+],0,GDB ChEMBL
17664,C#CC[NH+]1CC=CCCC2(CC[NH3+])C(O)C12,0,GDB ChEMBL
115778,CC12CC3CCC1OCCC2C3,0,GDB ChEMBL
372743,CC(=[NH2+])N1CC(C(N)=O)C1,0,GDB ChEMBL
230407,CC1(C[NH+]=CNCC#N)CC(=O)NCCC1[NH3+],0,GDB ChEMBL
201404,NC(=O)C1CCC(C2CO2)NC1=O,1,GDB ChEMBL
29640,C[NH+](C)CCC(O)CC1=CCC[NH2+]C1,0,GDB ChEMBL
29008,CC1C=CC(N(C)C(=O)C[NH3+])C1,1,GDB ChEMBL
13787,C[NH2+]CC1NC(=O)C1(O)C(=O)[O-],0,GDB ChEMBL
268152,C=C(NC(=[NH2+])OCCC#N)C(=O)[O-],0,GDB ChEMBL
159879,CC1=CCN2CC3CC([NH3+])C2CC13,0,GDB ChEMBL
183451,C#CCC1C(OC)C2C[NH2+]C(C)C2C12CC2,0,GDB ChEMBL
93410,C#CC(=O)N1CC(NCCOC)=[NH+]C(CO)C1,0,GDB ChEMBL
292942,COC1CC2CN3C(C1)C3C2O,0,GDB ChEMBL
190478,C#CC(CO)C([NH3+])CCOC(=N)NC(C)=O,0,GDB ChEMBL
59687,Cc1nsc(=O)c(NC(=O)NCC#N)n1,0,GDB ChEMBL
349943,C#CCNc1c(F)cc(C#C)c2c1CCCN2,1,GDB ChEMBL
13163,CCC(=O)C1=C(C)NC2CC1C(C)(C)C2,0,GDB ChEMBL
264023,[NH2+]=C1Cc2cc(I)ccc2C2CCOC2CN1,0,GDB ChEMBL
351313,COc1nc(Cl)cc2c(O)nc(N)nc12,1,GDB ChEMBL
132556,C#CC12CC(C(=O)OC)(CN1)C2[NH2+]C,0,GDB ChEMBL
359150,CC1CCCCC2([NH2+]1)C1CCC2O1,0,GDB ChEMBL
101916,CC1CC23CCCCC2C[NH2+]C1C3,0,GDB ChEMBL
204636,Cc1nccc(NC(=O)OCC[NH3+])c1N,0,GDB ChEMBL
245807,C=CC1CCCC=CCC=C1CC,1,GDB ChEMBL
354049,CC(C)CC1(C(=O)[O-])CN1,0,GDB ChEMBL
71459,Cn1nc(N)c(N)c1NC(=O)OCCC(N)=[NH2+],0,GDB ChEMBL
124210,CC1CC2CC1=CCCCC(C)(C)C2=O,1,GDB ChEMBL
79569,CCOCC1(CCOC)CC(C)=C(C)C1,1,GDB ChEMBL
149393,C#CCc1cc(Br)cc2c1NCC1CC21,1,GDB ChEMBL
285740,CC1=CCC2c3cccc(F)c3CC2C=C1,0,GDB ChEMBL
301451,CC1CC1[NH2+]C1CCCC1=O,0,GDB ChEMBL
355162,CC1CC2CC=CC=CC[NH2+]C(C1)C2,0,GDB ChEMBL
181128,CC1C2CCCC(CC1(C)C)OCC2,0,GDB ChEMBL
190249,NS(=O)(=O)OC(CO)C([NH3+])C(O)CO,0,GDB ChEMBL
217706,Cc1cnc(CCCC2CCC[NH2+]2)c(Br)c1C,0,GDB ChEMBL
79361,C#CC1(C)Cc2cc(Cl)cnc2C1[NH3+],0,GDB ChEMBL
132249,C1CCC2(C3CCC(C1)CC3)C1CCC2CC1,0,GDB ChEMBL
105990,CCC(C)[NH+]1C(C)CCC1CO,0,GDB ChEMBL
47249,COC1CC(C)CC1C1CC1,1,GDB ChEMBL
355795,COC(C)C1C2CC[NH2+]CC(O)C21[NH3+],0,GDB ChEMBL
376684,C#CC(C)(C#C)CNc1cc(C)c(F)c(C)c1,1,GDB ChEMBL
60961,CC1CC=CC(O)(C(F)(F)F)C=CC1,1,GDB ChEMBL
140407,C#CC(C)([NH3+])c1ccc(F)c(C)c1C,0,GDB ChEMBL
33506,CS(=O)(=O)c1cc(I)c([O-])cn1,0,GDB ChEMBL
235231,C[NH2+]C(C)C(C[NH3+])C(=O)[O-],0,GDB ChEMBL
118482,CCOC1C[NH2+]C2(CCCCCCCC2)C1=O,0,GDB ChEMBL
7777,CC1=Cc2[nH]cc3c(N)c(Cl)cc(c23)C(C)=C1,0,GDB ChEMBL
309684,C[NH2+]CC12CC1C(C(=O)COC)C(=O)O2,0,GDB ChEMBL
320735,COC(C)C(C(=O)[O-])C(=O)[O-],1,GDB ChEMBL
265262,CCc1c(O)c(C)c(Cl)c(Cl)c1C(F)(F)F,1,GDB ChEMBL
331193,CC([NH3+])c1ccc(F)nc1F,0,GDB ChEMBL
161832,CC1CC2(C(N)=O)C(C)OCC2(O)C([NH3+])C1C,0,GDB ChEMBL
181405,C[NH2+]C1(Cc2cc(Cl)ncn2)CC1,0,GDB ChEMBL
118711,CC(C)CCC(C)C1(C)CCCCCOCC1,0,GDB ChEMBL
147542,CC#CC([NH3+])(CC)CC(=O)[O-],1,GDB ChEMBL
358597,O=C1C(CCO)CC1[NH2+]C1CCC1,0,GDB ChEMBL
380321,Nc1cnn(C2CCC2)c(=O)c1,1,GDB ChEMBL
140887,C#CC(CCNC=[NH2+])C(CCC(C)O)C(N)=O,0,GDB ChEMBL
75847,CC1(O)C#CCC2C=CC([NH2+]C1)C2C(=O)[O-],0,GDB ChEMBL
33850,CC1C2CCC(c3cc(Cl)cc(Cl)c3)C12,1,GDB ChEMBL
140278,CCCCC1C2CCCCC2C1(C)C,1,GDB ChEMBL
198654,CC1=CC(c2ccnc(F)c2)COC1,0,GDB ChEMBL
268147,CCC1CC(C)[NH2+]C(C2CC2)C1,0,GDB ChEMBL
83031,CCN1C(C(=O)[O-])CS1(=O)=O,0,GDB ChEMBL
292938,CCNc1cc(F)cc(N)c1O,1,GDB ChEMBL
334751,N#CC1CC([NH3+])C(C(O)CCO)O1,0,GDB ChEMBL
177220,CC(C)C(Cc1ccc(N)c(Br)c1Br)[NH+](C)C,0,GDB ChEMBL
234891,Cc1cc(C(=O)CCC(N)=[NH2+])c(Br)c(N)n1,1,GDB ChEMBL
276330,CCC1(CC)CCOC2C[NH+]1C2,0,GDB ChEMBL
184676,N#CCC(O)CNC(=[NH2+])NCC(O)C(O)C[NH3+],0,GDB ChEMBL
56672,CN1C(=O)NCC(C([NH3+])c2c[nH]cn2)C1=O,0,GDB ChEMBL
299772,C#CC(O)CC1CC2CC(COC2=O)CC1C,0,GDB ChEMBL
173185,CC(O)C(O)C(C)(C(=O)[O-])N1CCCC1=O,0,GDB ChEMBL
95202,C#CC1CC2Cc3cccc(Cl)c3C3C1C23,0,GDB ChEMBL
132854,CC(C#N)NC(CS(=O)(=O)[O-])C(O)C[NH3+],0,GDB ChEMBL
358817,CC1=CC2CC1(C(C)C)CO2,0,GDB ChEMBL
363251,CC(O)Cc1cc(N(C)C(C)C=O)c(F)cn1,1,GDB ChEMBL
275551,COCCC(N)=Nc1nc(CO)c(C)s1,0,GDB ChEMBL
391628,CCC1COCC2(COC(N)=O)CC[NH+]12,0,GDB ChEMBL
48515,CCc1nc(O)cc2c1CC(C)(C)CCO2,0,GDB ChEMBL
161780,CC([NH3+])CNCc1c(N)c[nH]c1C#N,0,GDB ChEMBL
131904,CC[NH+]1CC2CC1CN2C,1,GDB ChEMBL
292330,N#CC1CCOCCCC12CNCC(=O)N2,0,GDB ChEMBL
44544,CC(C)C[NH+](C)CCC1(C)CO1,0,GDB ChEMBL
36162,O=C1OCCCC(O)C1NCc1cn[nH]n1,1,GDB ChEMBL
137406,Cn1c(C2CNC(=[NH2+])N2CCC#N)c[nH+]c1N,0,GDB ChEMBL
132536,O=S(=O)([O-])CC(=[NH+]CCO)N1CC[NH2+]CC1,0,GDB ChEMBL
300455,Cc1noc(=O)cc1C1([NH3+])CC(C)(O)C1,0,GDB ChEMBL
99849,CC1CC(C)(C)C[NH+]2CC3CC3C2C1C,0,GDB ChEMBL
104403,[NH3+]CC1CC2(CO)C(=O)[N-]S(=O)(=O)C12,0,GDB ChEMBL
283424,CC1CC[NH2+]C1(C)CCO,0,GDB ChEMBL
341919,CCC12CCCCC=CC1(C(=O)[O-])C2,0,GDB ChEMBL
59592,CCC1CC(C(C)O)[NH2+]C2CCCC12,0,GDB ChEMBL
66661,CCc1c(F)ccc(CC(C)(C)C)c1[NH+]=CN,0,GDB ChEMBL
40015,CCC1CC2OCC3(CCC[NH3+])C2C13CO,0,GDB ChEMBL
22551,C[NH+]1CCOC(=O)C(CO)C1,1,GDB ChEMBL
363829,N=C1CC(CO)C(O)CO1,1,GDB ChEMBL
269332,CCCC1C=C(C)CCC1CC(C)C,0,GDB ChEMBL
383765,NC(=O)OCC(O)(C(=O)[O-])C([NH3+])CCO,0,GDB ChEMBL
234936,CC1=CCOCCc2cc(Br)c(Br)cc2C1,1,GDB ChEMBL
4824,CCCC1CCC(=O)C(C)(CO)CC(C=O)C1,0,GDB ChEMBL
37610,[NH3+]CCNCCNC(=O)C1(O)CC1,0,GDB ChEMBL
240513,CCCNc1ccc(CC[NH3+])c2sc(O)cc12,0,GDB ChEMBL
195468,C[NH2+]C1(C2CCCO2)CC1,0,GDB ChEMBL
217379,CC1C2CCC1c1c2ccc2c1CCCC2,1,GDB ChEMBL
366780,CC1(CO)C2CCCN3C(C2)C31,0,GDB ChEMBL
34188,CCC(C[NH2+]C)NCCC=O,0,GDB ChEMBL
252680,CC[NH2+]CC1OCCC1(C#N)NC,0,GDB ChEMBL
46055,CC1CC(C)(C)[NH+]2CC(C(C)CO)C(O1)C2C,0,GDB ChEMBL
337990,CCCC(CC12CCCC1C2)C(C)O,1,GDB ChEMBL
127014,N#CC1CS(=O)(=O)N2C1C2(CO)C(N)=O,0,GDB ChEMBL
16744,C[NH2+]CC1(C)C(CC=O)COC1C,0,GDB ChEMBL
386454,COC1CC(COc2ccn[nH]2)C(O)C1C,0,GDB ChEMBL
202527,CC([NH3+])Cc1nonc1N,0,GDB ChEMBL
17310,CCN(CC1(CNCC[NH3+])CO1)C(N)=[NH2+],0,GDB ChEMBL
34408,CC12C3CCC1C2C(=O)NC3C[NH3+],0,GDB ChEMBL
358251,CCC1(CC)C[NH2+]CCC2(CC)CCCC2C1,0,GDB ChEMBL
77825,CCC1CC[NH2+]CC1C(C)C,0,GDB ChEMBL
341180,CNS(=O)(=O)C(=O)C(C)NCCO,0,GDB ChEMBL
223267,CC1[NH2+]CCCCC2C(C)C2C1C,0,GDB ChEMBL
361775,[NH3+]C1C(CO)CC2(CCC[NH2+]2)C2OC12,0,GDB ChEMBL
200949,CC1[NH2+]CC(=NO)C=CCCC1CO,0,GDB ChEMBL
308167,COCC(CO)Cn1nnc(C(=O)CCO)n1,1,GDB ChEMBL
386154,CC(C)([NH3+])CC1C(O)CNS1(=O)=O,0,GDB ChEMBL
289977,C#CC1CCC2C[NH+]1C(CCC)C(C)C2C,0,GDB ChEMBL
305458,CC(=N)OCC1CC(=O)C(=O)OC1CC(N)=O,0,GDB ChEMBL
112427,N#CCc1nn(CC(=O)[O-])c(=O)c(I)c1N,1,GDB ChEMBL
67370,CC12CC[NH+](CCC3CC1C3)C2,0,GDB ChEMBL
111556,NC(=O)C1(O)CC2(C[NH3+])C(=O)OCC1CC2[NH3+],0,GDB ChEMBL
196708,COC1C[NH2+]CC(C)C([NH3+])CC2[NH+]=CN(C)C21,0,GDB ChEMBL
218319,CC(C)C1C(C)CC2CCCC2C1C(C)C,0,GDB ChEMBL
134751,CC1CC1C(C[NH3+])CC(N)=O,0,GDB ChEMBL
353276,O=Cc1cc2c(cc1Br)CCC=CC2,1,GDB ChEMBL
316329,O=C1CC2CC=CCC(C[NH2+]2)OC1=O,0,GDB ChEMBL
330900,CCC1C(O)C1(N=CNC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
352174,CCCC([NH3+])C1(C)CCCC[NH+]=C(N)C1C[NH3+],0,GDB ChEMBL
87132,N#C[C-](C#N)NC(=N)C(C[NH3+])CO,0,GDB ChEMBL
186718,CC(=O)C12CC(O)C(C)[NH+](C1)C2,0,GDB ChEMBL
300437,CC1(O)C(C(=O)[O-])CC23CNS(=O)(=O)C2C13,0,GDB ChEMBL
35333,O=C([O-])C1COCCC2(CCCC2)[NH2+]1,0,GDB ChEMBL
375126,C[NH+]1CC2CCC1C1(N)CCC2(C)CC1,0,GDB ChEMBL
398875,C#CC1=CCC=CCCC1,1,GDB ChEMBL
81543,C[NH2+]C(CC[NH3+])CC(=O)[O-],0,GDB ChEMBL
208609,CCCOCC1(C)CCC(CC)C[NH+](CC)C1,0,GDB ChEMBL
122919,CN=C1NC2(CC(=O)[O-])C(N)C2(COC)O1,0,GDB ChEMBL
38464,O=C([O-])C1C=CC(C=NO)N2C(=O)NCC12,0,GDB ChEMBL
335468,CC(C)CCC(C)C1(C)CC2CC1CCC2C,0,GDB ChEMBL
208412,CNC=[NH+]CCCCOCC(C)(C)C,0,GDB ChEMBL
302656,CC(C)c1c(Cl)cc(O)cc1C(C)CCC#N,1,GDB ChEMBL
103497,CC1CCC2CCC[NH2+]C3C(C(=O)O1)C23C,0,GDB ChEMBL
340140,CCC1NC(=O)CC2([NH3+])C(O)CCOC12,0,GDB ChEMBL
313743,C=CC1C(C)CC=C(C)C1CCC,0,GDB ChEMBL
121703,CCC1(O)C[NH2+]C(CN)C12COC2,0,GDB ChEMBL
308298,Cc1ccc(Br)cc1C1C(C)C1C,1,GDB ChEMBL
320432,CC1=C(C)CC(OCCCCCCC[NH3+])C1,0,GDB ChEMBL
258256,CC12C3=CC[NH2+]C1C(=O)CCCC2CC3O,0,GDB ChEMBL
85712,CC1C(CO)CC2OCC2[NH+](C)C1C,0,GDB ChEMBL
308220,CCC(=O)Nc1cc(CC)n2nc(I)ncc12,0,GDB ChEMBL
142968,CC1CCCC([NH3+])(C2CC2)C1,0,GDB ChEMBL
152555,C[NH2+]C(CCO)C1OC(=[NH2+])NC2C(O)CNC21,0,GDB ChEMBL
35697,CC(=O)OC(CCCOC=N)CC(N)=O,1,GDB ChEMBL
152508,C[NH2+]C1CC(O)CC2OC(N)=NC2C(C=O)C1,0,GDB ChEMBL
376063,CC[NH2+]C1CCCC(C)(CC[NH3+])NC(=O)C1,0,GDB ChEMBL
375877,CCC(CC1OC1(C)CCC[NH+](C)C)[NH2+]C,0,GDB ChEMBL
178060,N#Cc1cnc2cncnn12,1,GDB ChEMBL
118470,CN1C(CCOCCO)C1S(N)(=O)=O,0,GDB ChEMBL
221949,C#CC(C#C)C1(C)CC=C(C)CCC1C,0,GDB ChEMBL
140800,CCCC1OC2(CC)CC1C(C)(C)CC2C,0,GDB ChEMBL
122689,CC1C=CCCC1C([NH3+])CO,1,GDB ChEMBL
105069,NC(=[NH2+])NC1CN(C=CC(=O)[O-])C1,0,GDB ChEMBL
227951,Brc1ccc2c(c1)C=CC=C(C1CC1)C2,1,GDB ChEMBL
96089,CNC(=O)C(CC(C)C)C1(CO)CCO1,0,GDB ChEMBL
389617,Cc1c[nH]c2c(I)c(CC(C)CC=O)ccc12,1,GDB ChEMBL
286836,CCC([NH3+])C(C)CC1OCOC1CC(O)C#N,0,GDB ChEMBL
226221,[NH3+]CC1(C(O)C(=O)[O-])C[NH2+]CC(O)C1CO,0,GDB ChEMBL
120530,CC12CCCCC1C1CC(=O)C2[NH2+]CC1CO,0,GDB ChEMBL
8642,C#CCC1CCC(C(CC)[NH2+]C)C1(C)CCO,0,GDB ChEMBL
238172,CCC1CC(O)C2C1C(C)S(=O)(=O)N2CC,0,GDB ChEMBL
239394,CCC(=O)NC1C(C)C1C,1,GDB ChEMBL
245513,CCOC1C(N)(C[NH3+])C1(C)NS(C)(=O)=O,0,GDB ChEMBL
161917,CC(O)C1CC2COC(CC(CC[NH3+])C[NH2+]1)C2,0,GDB ChEMBL
45686,CC(C)CC1CC2C(N=CN2C(N)=O)C(=O)N1,0,GDB ChEMBL
53275,CCCC(C[NH3+])C(C)=C1CC=CC1,0,GDB ChEMBL
197187,CCc1c(Cl)ccc(C)c1CN(C=N)C=O,1,GDB ChEMBL
75407,CCC1C2C=C(C)C(=O)OC(C)C21,0,GDB ChEMBL
376055,C#CCc1cc2ccc(Br)c(C)c2n1C(C)C,1,GDB ChEMBL
275502,NC1C(N)C1(C[NH3+])NC(=O)C[NH3+],0,GDB ChEMBL
348676,CC1=CC2(C)C(CO)C(C)CC2C1C[NH3+],0,GDB ChEMBL
235990,CCOCC1CC2C=C(C)C1C2C,1,GDB ChEMBL
161755,NC(=O)NCC1(C(N)=O)[NH+]=C(N)NC2CC21,0,GDB ChEMBL
169093,Cc1cc(C)c(Cl)c(N2CCc3scnc32)c1,1,GDB ChEMBL
258740,CCc1cncc(NC(C)C[NH2+]CCC#N)c1,0,GDB ChEMBL
48204,CC1CC2=CCC=CCCCCC2C1,0,GDB ChEMBL
345500,CCC1C[NH2+]CCCCCOC1,0,GDB ChEMBL
174302,CCCOCC1(C)NC1C(=O)COCC,0,GDB ChEMBL
340148,COCC1C2CNC3C[NH+](C3)CC21,0,GDB ChEMBL
44950,CCC1OCC2(C(C)[NH2+]C)OC12,0,GDB ChEMBL
302635,CC1CN=C(C(O)CO)N1,1,GDB ChEMBL
294764,CCC1(C)CCC(O)C(C)C1,1,GDB ChEMBL
60631,COC(CCC(C)=O)(C(N)=O)C(N)=O,0,GDB ChEMBL
99865,O=C([O-])C(CO)C(=O)n1nccn1,0,GDB ChEMBL
61288,Nc1c(CO)ncc(C=O)c1O,1,GDB ChEMBL
223989,CNC(=O)c1nc(=N)[n-]nc1COC,0,GDB ChEMBL
34732,CC1CN1CC(O)C(O)C[NH3+],0,GDB ChEMBL
23940,CCC(O)(CO)C1(O)C(=O)[N-]C(C#N)CC1O,0,GDB ChEMBL
258211,NS(=O)(=O)CCOCC(O)CC[NH3+],0,GDB ChEMBL
69587,CCC1CC2(CC(C)(C)C)CC1C(C)O2,0,GDB ChEMBL
345725,CC(CO)CC(CCO)C1CCC1,0,GDB ChEMBL
296088,O=C1OC2CC3CC2CC13O,1,GDB ChEMBL
188485,CN(CC[NH+](C)CCCO)Cc1cnnnn1,0,GDB ChEMBL
200737,Oc1cc(Cl)ccc1C1=CC=CC1,1,GDB ChEMBL
242664,[NH3+]CCN1C(CO)C12C=CNC(=O)C2,0,GDB ChEMBL
274115,CC1CC2CCC1C([NH2+]CC(N)=O)C2C,0,GDB ChEMBL
111886,CCc1cc(CO)cc(Cl)c1OC,1,GDB ChEMBL
312818,CC1CCc2[nH]ncc2C1C,1,GDB ChEMBL
285134,CC1CCC(C)C2CC([NH2+]1)C1CC21,0,GDB ChEMBL
181685,CC1(C)CC2(CO)C[NH2+]CCCC1[NH2+]C2(C)C,0,GDB ChEMBL
216519,CC1[NH+](C)C(C)(C(C#N)CO)CCC1(C)O,0,GDB ChEMBL
302488,Cc1ccc(I)c(C#CC#CC2CC2)c1,1,GDB ChEMBL
323160,Nc1ccc2c(c1O)C=CCCC2O,1,GDB ChEMBL
389394,CCOCc1sccc1C1CC1,1,GDB ChEMBL
354799,CC1=CC2CC[NH2+]C2C1=O,0,GDB ChEMBL
296648,N=C1CNC(=O)Cc2sccc2N1,1,GDB ChEMBL
355286,C[NH2+]C(CC#N)C(OC)C1C(C)CC1(C)C,0,GDB ChEMBL
395603,CCC1NC(CO)C(=O)N2CC2C1NC=O,0,GDB ChEMBL
300202,N#CC(C(N)=O)N1CC1C(O)C(C=O)CO,0,GDB ChEMBL
159901,CCNC(=O)CCCCCC1CN1CC=O,0,GDB ChEMBL
222186,CCS(=O)(=O)NCC(C[NH3+])C([NH3+])C1COC1=O,0,GDB ChEMBL
363830,CC1CC(C=O)(CC#N)C[NH2+]1,0,GDB ChEMBL
172321,CCCC(=[NH2+])N(C)C(CCCO)CNC=O,0,GDB ChEMBL
224014,CC1=CCN(S(C)(=O)=O)C1C(C)(O)C(N)=O,0,GDB ChEMBL
151149,CC1OC(NCC#N)=NC(C[NH3+])CC1O,0,GDB ChEMBL
2389,CC(O)(CCO)C1OC(=O)NC2COC21,0,GDB ChEMBL
246932,CC1OC(N)=[NH+]C2CC(C#N)(C1O)C2CO,0,GDB ChEMBL
125542,CC(C)(C)C1CC2C(C)(C)C(C1)C2(C)C,0,GDB ChEMBL
281028,CCC1(C)C(NC(N)=[NH2+])C1(COC)S(=O)(=O)[O-],0,GDB ChEMBL
316165,NC(=[NH2+])CNC(=O)C1(CC(=O)[O-])CO1,0,GDB ChEMBL
214915,CC=C(C#N)C(CCC)NC1CC1,1,GDB ChEMBL
13141,C#CC(C(N)=O)C1CC=CC1,1,GDB ChEMBL
358276,N#CC1CNC=[NH+]C1C(=O)[O-],0,GDB ChEMBL
140255,C#CC(=O)N1CCC=CC([NH2+]C)CCC1=O,0,GDB ChEMBL
173861,CCC1CCCC2CCCC1C(CC(C)C)C2,0,GDB ChEMBL
374014,C#CC(C(C)O)C(C)(CO)C1CC[NH+]1C,0,GDB ChEMBL
153317,NC(=O)Oc1cc(=O)nccc1N,0,GDB ChEMBL
182500,CCNc1c(CC(C)C)cc(CC)c(Br)c1Br,1,GDB ChEMBL
45975,CCN(C)C1C2C(N)=[NH+]CC21O,0,GDB ChEMBL
387308,C#CCC1(C)C=CCCC(CC)[NH2+]C1,0,GDB ChEMBL
203644,CCCCc1c(Br)ccc(C=O)c1C,1,GDB ChEMBL
317152,[NH3+]C1C=C(CO)CC1C(=O)[O-],1,GDB ChEMBL
291471,O=C1NC(=O)N2C3COCC1C32,0,GDB ChEMBL
362001,C[NH+]1CC2COC3CC2C(O)C31,0,GDB ChEMBL
397965,CC(C)(O)C#CCC1C=CC=CC(=O)CC1,0,GDB ChEMBL
280497,NC(=[NH2+])CC([NH3+])Cc1cncc(F)c1,0,GDB ChEMBL
317192,CC1COC2CC3C[NH+]1C2C3O,0,GDB ChEMBL
105106,CCOCCC1(OCC)C=CCCCCC1,1,GDB ChEMBL
315268,C#CCC(C)(C)C1C2C[NH2+]CCCC1C(C)C2,0,GDB ChEMBL
170150,CC1(OC(CO)CO)CC(C#N)C1,1,GDB ChEMBL
102328,O=C1CC[NH+]2CC(c3cc[nH]c3)CC1C2CO,0,GDB ChEMBL
181110,CCC1CCC(C)C(C[NH2+]C)(C(C)[NH3+])C1,0,GDB ChEMBL
708,CC1CC=CC1C([NH3+])C1CCOC1,0,GDB ChEMBL
250533,CC1C(C)C12C=CCC[NH+]1CCCC12,0,GDB ChEMBL
47697,CC1=CC=CC(C)C(C)C(=O)CCCCC1,0,GDB ChEMBL
219517,COC(=O)n1ncc(CC([NH3+])C(C)(C)O)c1C,0,GDB ChEMBL
56637,CC(C=O)C(=O)NCC(N)=O,1,GDB ChEMBL
34976,CCC(=O)N1CCC(O)C1C,1,GDB ChEMBL
395654,CCC(OC)C1=CC(C(C)CC)CC1,1,GDB ChEMBL
230740,CC1(c2cc[nH]c(=[NH2+])n2)CC1,1,GDB ChEMBL
299178,CN1C(=O)CN=C1c1ncc(C(C)(C)CO)s1,0,GDB ChEMBL
12873,CC#CC(C(=O)C(N)=O)N(C)C(=O)OCC,0,GDB ChEMBL
227546,COC(C)(C)C1C([NH3+])CC(C)(C)C1CC(C)C,0,GDB ChEMBL
47986,CCC1CC(C)C2NC(=O)CC([NH3+])C2(O)C1,0,GDB ChEMBL
215462,Nc1ccc2[nH]ncc2c1,1,GDB ChEMBL
259327,[NH2+]=C1NCCN1C1C(=O)NC=CC1O,0,GDB ChEMBL
362982,CCCCC1C2C=CCC(C)C1CC2,0,GDB ChEMBL
266437,CCOC(C)C1(C)CC(NC(C)=[NH2+])C1,0,GDB ChEMBL
51876,CCC(CC)CCCC1(C)CCC(C)C1,1,GDB ChEMBL
381443,C#CC(C)(CC)C(=O)CCCCO,1,GDB ChEMBL
127025,CCNC1C(=O)NC(=O)OC1C=O,0,GDB ChEMBL
79521,[NH3+]CCCN=C1OC(CO)(C(=O)[O-])C1O,0,GDB ChEMBL
382092,[NH3+]C1CN2C(CCO)C2CC1O,0,GDB ChEMBL
35994,NC(=O)C1C=C(CO)CC(C[NH3+])C[NH2+]1,0,GDB ChEMBL
4719,CCCC(=O)CC1(CO)C(O)CC1C#N,0,GDB ChEMBL
350707,CC1C([NH3+])C1C1CC[NH+](C)C1C,0,GDB ChEMBL
126579,CN(C=O)CCS(N)(=O)=O,1,GDB ChEMBL
279140,C#CCC(C)CCC1C=C(C)C[NH+]1C,0,GDB ChEMBL
26015,CC1CC1NC(=O)C1Cc2nsnc2C1,1,GDB ChEMBL
116624,CCCOc1c(Cl)cc[nH]c1=O,1,GDB ChEMBL
302610,COCC12COC(CC(C)C(O)CCCO1)C2,0,GDB ChEMBL
354639,Cc1cc(C)c(C#N)c(C)cnco1,0,GDB ChEMBL
296998,CC([NH2+]C1CC1(N)S(N)(=O)=O)C(=O)[O-],0,GDB ChEMBL
11393,C#CCC1C2CCC(CC)C(C(C)C2)C1[NH2+]C,0,GDB ChEMBL
93087,CCC1(C(O)C[NH3+])CC1(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
28245,C[NH2+]CC(CCC(N)=[NH2+])Nc1coc(C)n1,0,GDB ChEMBL
126602,N=C(N)NC(=O)OC1(C[NH3+])CNC1,0,GDB ChEMBL
217101,CN1CC(C)(C#N)C=C2CC([NH3+])C(O)C21,0,GDB ChEMBL
160373,CC1(C)CC2(O)CC=CC1C(C)(C)C2,0,GDB ChEMBL
76399,CC1OCCNC(=O)C2NC2C1=O,0,GDB ChEMBL
312510,CCCC(=O)CC(C)(O)CC(C)C1CC1,1,GDB ChEMBL
203439,CCCC12CC(=O)CC(=O)N3CCCC1C32,0,GDB ChEMBL
221711,CC[NH+](C)CC([NH3+])CC1CC1,0,GDB ChEMBL
292504,CNC(=O)NC1C([NH3+])C1(O)C(O)CO,0,GDB ChEMBL
130827,NC(=[NH2+])NC1(C(N)=O)CCC1,0,GDB ChEMBL
150140,CC(C)C1COC(=O)C=CC1([NH3+])CCC[NH3+],0,GDB ChEMBL
323172,C[NH2+]CC1C(=N)OC(=O)N1C(N)=O,0,GDB ChEMBL
28339,CC(O)C([NH3+])CC1NC(=O)[N-]S1(=O)=O,0,GDB ChEMBL
383698,CC(=O)NC1C(=O)C(O)(CO)C2CCC12,0,GDB ChEMBL
223509,O=C1C[NH2+]C(CCO)C1,0,GDB ChEMBL
95173,Ic1cccc(C2OCCC23CCC3)c1,0,GDB ChEMBL
37318,CCC12C(O)CCCCC1C2C,1,GDB ChEMBL
32030,C#CCC1CCC2(C)CC1(C)CC2CC[NH2+]C,0,GDB ChEMBL
25174,[NH3+]CC12CCC1C(CO)[NH2+]C2,0,GDB ChEMBL
267900,COC(C(N)=O)C1C(O)C1C[NH3+],0,GDB ChEMBL
345446,CCC(=O)C(C(C)CO)C1CC1C,0,GDB ChEMBL
379215,CCC1([NH3+])C2CCC1C(=O)N2,0,GDB ChEMBL
170293,CC(NCC[NH3+])(C(N)=O)c1cn[nH]c1,0,GDB ChEMBL
171335,C[NH+]1CC=CC#CC=CCC1,0,GDB ChEMBL
122823,C#CCC(N)(C[NH3+])c1ccnn1CC(=O)OC,0,GDB ChEMBL
249828,CC1CC(CO)OC1C(N)=[NH2+],0,GDB ChEMBL
83058,CC1(C(N)=O)C=CCC=CC2OCC[NH2+]C21,0,GDB ChEMBL
77877,C[NH2+]C1CCC=C(C(C)=O)C1C#N,0,GDB ChEMBL
174668,CC12CCC[NH2+]CCC1CC1CCC12,0,GDB ChEMBL
362570,C#CC(C)C(C)c1cnc(Cl)cc1Cl,0,GDB ChEMBL
379166,CCCCC1C2(C)CCC1(C)C(C)C2C,0,GDB ChEMBL
319153,C#CC[NH2+]C(C(C)C[NH2+]C)C1(C)COC1,0,GDB ChEMBL
65961,COCC12CC([NH3+])C(O)C1C2,0,GDB ChEMBL
27985,CC(C)CC12CC(C#N)(C1)C(O)CC[NH+]2C,0,GDB ChEMBL
243383,CNC(C)=[NH+]C1CC(C[NH3+])NC1CO,0,GDB ChEMBL
6135,C#CC(=O)C1CCc2cc(C#C)cc(F)c2C1,1,GDB ChEMBL
300661,CCCCC([NH3+])C1CC(C(C)(C)C)C1C,0,GDB ChEMBL
282227,C[NH2+]C1(CC(N)=O)CCC2CC21,1,GDB ChEMBL
300422,CC1OC2(CCC(=O)NCC2C#N)C1[NH3+],0,GDB ChEMBL
140773,COC1C[NH2+]CC(N)(CC([NH3+])C(N)=O)CO1,0,GDB ChEMBL
271508,C#CCCOc1c(I)ccc(C)c1C#C,1,GDB ChEMBL
112756,C#CCN(CC(=O)CS(N)(=O)=O)C(=O)C1CN1,1,GDB ChEMBL
119221,CCC1C(C)C2CC3CCCC2C31,0,GDB ChEMBL
363208,CC[NH+]=C(NC)NCc1nc(Br)ccc1OC,0,GDB ChEMBL
349635,CNC(=O)N(C)CC(C=NO)CC(O)C=O,1,GDB ChEMBL
34768,N#Cc1cc(C#N)nc(F)n1,1,GDB ChEMBL
184643,CC1CNC(=O)OC(C(C)[NH3+])C(O)C(C#N)O1,0,GDB ChEMBL
160380,CCN(CC#CCCC1CC1)CC(F)(F)F,1,GDB ChEMBL
49143,CCCC1CCCCCCO1,1,GDB ChEMBL
374180,CN1C2C([NH3+])CCCC21C(N)=O,0,GDB ChEMBL
139798,CC[NH+]1CC(C=O)=CC2(CC2C(C)(C)O)C1,0,GDB ChEMBL
375868,CN1C(=[NH2+])NC(N)=[NH+]CC1CO,0,GDB ChEMBL
194749,CCC(C)C1=CCCc2ccc(I)cc21,1,GDB ChEMBL
18346,C#Cc1ccc(C)n2ccc(NC(C)=O)c12,1,GDB ChEMBL
107702,CCc1nocc1C(O)(C#N)CC[NH3+],0,GDB ChEMBL
287347,CCC1OC(=O)C2CC(C3C[NH2+]C3)C1CN2,0,GDB ChEMBL
119990,CCC1CCCC2CCC(C)C2C1,1,GDB ChEMBL
326417,CC(C)(CO)NC(=N)NC(=O)C[NH3+],1,GDB ChEMBL
5273,OC1C2C=CCCC3[NH2+]CC1C3O2,0,GDB ChEMBL
330402,COCC12CC(C1)C(C)(CO)C2,0,GDB ChEMBL
274187,CNC1C(=N)N2CC2C(C(O)CO)OC1=O,0,GDB ChEMBL
221122,CCC1([NH+](C)C)CC(C)(C)C(C)C1OC,0,GDB ChEMBL
350311,C#CC1[NH2+]CC2CCCC(C)OCOC21C,0,GDB ChEMBL
341140,C1COC2CC3C[NH+](C1)CCC32,0,GDB ChEMBL
389652,CCC1CC=CC(C)CC(C)C12CC2,0,GDB ChEMBL
392302,COC1CC2(CCOC(C)C2O)C1,0,GDB ChEMBL
343929,[NH3+]C(C(=O)[O-])C1CS(=O)(=O)NCCO1,0,GDB ChEMBL
11424,CC1OC2C([NH3+])C2CC1CO,0,GDB ChEMBL
340534,C#CC1C=CCCCC[NH+]2CCCC2C=C1,0,GDB ChEMBL
260748,CCC(C)C(C)C1CC2CCCC2(C)C1,0,GDB ChEMBL
280875,C[NH2+]CC1C(=O)NC2C(=N)OC(C(C)CO)C12,0,GDB ChEMBL
44998,CC1C2CCCC1C([NH3+])CC[NH+](C(C)(C)C)C2,0,GDB ChEMBL
204804,CCCC1C(C)C=C(CC(C)C)C1(C)CC,0,GDB ChEMBL
217128,CCC1C(C)=CCOC1OC,0,GDB ChEMBL
175888,CCCC1(CC)C[NH2+]CC(C)N(C=O)C1CO,0,GDB ChEMBL
147532,O=CNC(=NC1C[NH2+]C1)C(O)CCCCO,0,GDB ChEMBL
120531,CC1C(C)C1CCC(O)CC#N,1,GDB ChEMBL
354590,CC[NH2+]C(C)C1(CC(=O)CC)CCCC1CC,0,GDB ChEMBL
87098,C#CC1CC(CC)[NH+](CC(C)C)C(C(C)O)C1,0,GDB ChEMBL
288106,CC(C)C(=O)OC1(C)CC1,1,GDB ChEMBL
188478,CC(=O)Nc1cc(N)cc2ccnc(=[NH2+])n12,0,GDB ChEMBL
127023,C#Cc1c(C)coc1CC(=O)N(C)C,1,GDB ChEMBL
354436,Cc1cnc(C)c(N)sc(O)cc1NCCO,0,GDB ChEMBL
375431,CNC(=O)OCCC(O)S(N)(=O)=O,0,GDB ChEMBL
321411,CCn1c(N)[nH+]ccc1=NC1CC(O)C1,0,GDB ChEMBL
80312,CC1(C)C(=O)NC(CNCc2nn[n-]n2)C1[NH3+],0,GDB ChEMBL
290139,CC#CCC(C[NH2+]C)(OC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
354152,COC(CC#N)(C(C)C)C(C)O,1,GDB ChEMBL
176549,CC1C2CC(CC[NH2+]2)C2CC2C1O,0,GDB ChEMBL
241112,C[NH2+]C1(C)CCc2ncnc(C)c2C1,0,GDB ChEMBL
59600,CCC(CC#CC1CC[NH2+]1)C(C)(C)O,0,GDB ChEMBL
351202,CCNC(=O)OCCC(=O)CO,1,GDB ChEMBL
77774,OCCCOC1CN(Cc2cnon2)C1,1,GDB ChEMBL
307569,C[NH2+]C1C2(C)OCC3CC(O)CCC312,0,GDB ChEMBL
16524,CC1CCC2[NH2+]CC1C1C=CCC21C,0,GDB ChEMBL
9937,Cc1cccc(Cl)c1C1(C)CC1,1,GDB ChEMBL
391639,CCCC(O)C([NH3+])C1=CCC(O)C1,0,GDB ChEMBL
293839,Cc1nc(CCCC2CCC(C)CC2)sc1C,1,GDB ChEMBL
106623,CNC(=O)C(O)c1nc(C[NH3+])c(C#N)n1C,0,GDB ChEMBL
99659,C[NH2+]CC1C(C)CC(C#N)(C(=O)[O-])C1(C)N,0,GDB ChEMBL
330930,CCCC1(C)C([NH3+])CC2C(C)C(C)CC21,0,GDB ChEMBL
314959,NS(=O)(=O)OC(C(=O)[O-])C1NC1CC[NH3+],0,GDB ChEMBL
321836,COCC12C(O)C(O)CC1C2(C)O,0,GDB ChEMBL
207726,C#CC(C#C)CC(C)(C)CCCC(C)C(C)C,0,GDB ChEMBL
99074,Cc1conc1CC(O)(CO)CC[NH3+],1,GDB ChEMBL
152003,COC12CCC[NH+](CCN)CC1C2,0,GDB ChEMBL
297013,CCCC1CC1CC1COC(C)(CO)C1,0,GDB ChEMBL
290511,C[NH2+]C1CC2CC1CC2C[NH3+],0,GDB ChEMBL
372561,CC#CCC1CCC(C)(C)C1CCC,0,GDB ChEMBL
121731,N=C(N)NC(=O)C(C([NH3+])CO)C1C(O)C1O,0,GDB ChEMBL
169085,CC1CC([NH3+])CC2C1C(C)C[NH+]2C,0,GDB ChEMBL
112828,Brc1cccc2c1oc1c3c(ccc12)CCN3,1,GDB ChEMBL
115301,[NH3+]CCC(O)C1(N2CC2)COC1,0,GDB ChEMBL
305557,CCCCC1CC(C(F)(F)F)=CC(C)C1C,0,GDB ChEMBL
4785,COC1CC(O)CCC2([NH2+]CCCC2O)C1=O,0,GDB ChEMBL
225379,Cc1ccc2c(ccc(C=O)c(O)c1)C[NH2+]C2,0,GDB ChEMBL
136028,C=CCCCC1C2CC(CC)CC12,1,GDB ChEMBL
380554,CCC1(CC(O)C(C)C)[NH2+]CC(C)CC1(C)C,0,GDB ChEMBL
389397,CCC1CCC2CCC3(CCC[NH+]3C)C2[NH2+]1,0,GDB ChEMBL
346822,CN1C(=O)CC(O)C1C=O,1,GDB ChEMBL
256157,COCC(O)CC1(CC(=O)[O-])CO1,1,GDB ChEMBL
274403,CC([NH3+])(CCC(=O)[O-])C(=O)Nc1ncno1,1,GDB ChEMBL
382599,CCC1CC(C)(C)C(OC)C(=O)NC=C1C,0,GDB ChEMBL
132511,CC1C=CC2(CC2)C[NH+](C)C1,0,GDB ChEMBL
119934,CCCC1C2C=C(C#N)C1C(C1CC1)C[NH2+]2,0,GDB ChEMBL
356495,CC(C[NH3+])CC1CCCC(C)(C(C)O)C1,0,GDB ChEMBL
339947,CCCC1C2C(O)C(CC(C)C)CC12C,0,GDB ChEMBL
372540,COCC([NH3+])CCC[NH2+]Cc1nnn[n-]1,0,GDB ChEMBL
307933,CCCCC(C)C1CC(C)CC2CC21,0,GDB ChEMBL
98607,CCCC1C=CCCCC(C)=C1,1,GDB ChEMBL
206950,CC(C=O)C1C(O)CC2CC1C2(C)C,1,GDB ChEMBL
333901,CC(C)C1NC(=O)c2c1nc[nH]c2=N,0,GDB ChEMBL
122840,C#CC1(C(F)(F)F)CC(C)C[NH2+]C1CC(C)C,0,GDB ChEMBL
94910,CC(CO)Nc1cn(C)cc1O,1,GDB ChEMBL
274827,CC1CC2(C[NH2+]1)C(CC#N)CC([NH3+])CN2C=O,0,GDB ChEMBL
31412,CCCCC12CCCC(C)(CC1)C2C(C)C,0,GDB ChEMBL
99628,C#CC1C(N)CN=C2NC(=O)CN21,0,GDB ChEMBL
308321,CC(=O)NC(C)CC1OC1C=O,1,GDB ChEMBL
292186,CC1OC2=NC(C)(C)CCC1CCNC(=[NH2+])N2,0,GDB ChEMBL
71270,Cc1cc[nH]c1C(C(C)C)[NH+](C)C(C)C(C)C,0,GDB ChEMBL
305204,C[NH2+]C1C(O)CC(O)(CS(N)(=O)=O)C1O,0,GDB ChEMBL
362810,C=CCN=C(N)c1cc(O)ncn1,1,GDB ChEMBL
80281,CC(=CC#N)C1(CC[NH3+])CC([NH3+])C1,0,GDB ChEMBL
40234,Cc1cc2c(cn1)CC(C=O)C(C(=O)CO)N2,0,GDB ChEMBL
50989,CC1C=CCC(OCCO)OCC1,0,GDB ChEMBL
17106,CCC[NH2+]CC1OC(C)C2(CO)CC12,0,GDB ChEMBL
372152,C[N-]S(=O)(=O)c1onc(C)c1CO,0,GDB ChEMBL
123007,CN(C)CC1(CO)[NH2+]CC(CO)COC1(C)C,0,GDB ChEMBL
121766,C[NH2+]C1C2CC(NS(=O)(=O)C2)C1O,0,GDB ChEMBL
50091,Cn1ccc(C(C)(C)CN(CC=O)C(N)=[NH2+])n1,0,GDB ChEMBL
348668,CN1C2CC(O)C3C[NH2+]C2CC31,0,GDB ChEMBL
362642,CCOC(C)(CC[NH3+])C1N=C(CO)NC1C#N,0,GDB ChEMBL
217684,CCCNc1noc(N)c1CO,1,GDB ChEMBL
53079,NC(=[NH2+])N(CC(N)=O)CC(O)CO,1,GDB ChEMBL
304577,CC1OCCC12CC(C(=O)[O-])C2O,0,GDB ChEMBL
387068,CC1=CCC2C=CC1c1ccccc1CC2,0,GDB ChEMBL
304317,N#CC(O)C(OC(N)=O)C(=O)NC=O,1,GDB ChEMBL
12828,CCCC[NH+]1C(C)CCCC1C#CC1CC1,0,GDB ChEMBL
251064,NC(=O)Oc1cc(O)cc2cn[nH]c12,1,GDB ChEMBL
198668,COCC[NH+](C)C1(C)CC1O,0,GDB ChEMBL
136688,CCOC1CCC([NH3+])CCCNc2ncsc21,0,GDB ChEMBL
212568,CC1C2C[NH+]3CCCC3C3C1CC23,0,GDB ChEMBL
193766,CNC(=O)n1ccnc1CC(C)(OC)C(=O)[O-],0,GDB ChEMBL
155078,Cc1cc(NC=O)ccoc(=O)c2cc1OC2,0,GDB ChEMBL
31089,CCCC1CC(C)(C)CC([NH3+])C=CC1C,0,GDB ChEMBL
323327,C#CC1COC(C(C(=O)[O-])c2cnc(C)s2)O1,0,GDB ChEMBL
18341,CC1C(C[NH3+])CC2([NH3+])CC(O)CCC12,0,GDB ChEMBL
201123,CCCC1(CC#CCC(F)(F)F)CCCC1,1,GDB ChEMBL
177255,CC12[NH2+]C(C(=O)NC3CCCC31)C2O,0,GDB ChEMBL
48056,[NH3+]C(CC1=CC[NH2+]C1)C1CC1,0,GDB ChEMBL
225857,N#CCCC(=O)NC(CO)C(=N)NC(N)=O,1,GDB ChEMBL
23973,CCCCCOC12CC1C(O)C(CC)C2C,1,GDB ChEMBL
261188,CC(C=O)C(=O)OC1(C)CC1,1,GDB ChEMBL
341293,CC1CCC=CCC2(CC2)C[NH2+]1,0,GDB ChEMBL
76494,C#Cc1ccn(CC)c1CCC(=O)C(F)(F)F,1,GDB ChEMBL
284688,[NH3+]CC(C[NH3+])COC(=O)Cc1nn[n-]n1,0,GDB ChEMBL
33192,CCNC1=[NH+]C(C)COC1,0,GDB ChEMBL
334653,NC(=[NH2+])NC1COC(C(N)=O)C1O,0,GDB ChEMBL
165671,CC1=C2CCC(CC2)[NH+](C2CC2)CC#CC1,0,GDB ChEMBL
334144,CCCCCC1C(OC)OCC2CC21,0,GDB ChEMBL
301455,CC(CC1C[NH2+]1)NS(=O)(=O)CC([NH3+])C(C)O,0,GDB ChEMBL
279070,CC(C1(C)CC1)C1(CCO)CCNC1=O,0,GDB ChEMBL
347016,COC1OCC(C(N)=O)C1(CO)OC(N)=O,0,GDB ChEMBL
141918,NC(=O)CCC(OCC(=O)[O-])c1cnc(N)s1,0,GDB ChEMBL
320478,CC1C2CC3C[NH2+]C(C3)C2C[NH+]1C,0,GDB ChEMBL
382079,CCC(C)CC1CC(C)C2(O)CCCCC12C,0,GDB ChEMBL
5917,CC(C)C1C=CC(C#N)CCC1O,1,GDB ChEMBL
338110,CC12CC3CCCC=CCC3C1O2,0,GDB ChEMBL
21729,CC[NH2+]C1(C(C)[NH3+])CC=CC1,0,GDB ChEMBL
130337,COC1C(C)C(C)CC2CCCCC2(C)C1C,0,GDB ChEMBL
216532,N#CCOc1cc(=[NH2+])[nH]c(CO)c1Cl,1,GDB ChEMBL
321829,CCC1C=C(C(=[NH2+])N2CCCC2CO)C[NH2+]1,0,GDB ChEMBL
48152,CS(=O)(=O)NCC12OC1(CO)CNC2=O,0,GDB ChEMBL
240422,C[NH+]1CC2CC([NH3+])C(N)(C(=O)[O-])C21,0,GDB ChEMBL
348603,CC(C)N(CC#N)C(C#N)C(=O)[O-],1,GDB ChEMBL
398973,CC1CC(C(=O)[O-])C[NH+](C)CC2CNC(=O)N12,0,GDB ChEMBL
354633,N#CC1OC12CC1C(=O)NC2C1O,0,GDB ChEMBL
334468,CC[NH2+]CC(N)COCCC#N,0,GDB ChEMBL
204837,[NH3+]C1C(CC(=O)[O-])OCC1C1CC1O,0,GDB ChEMBL
215674,N#C[C-]1C(=O)OC2C[NH2+]C(C1C(N)=O)C2O,0,GDB ChEMBL
377317,N=C(N)NC(=O)C1OC1(CO)C(=O)[O-],0,GDB ChEMBL
148759,[NH3+]CCC(O)CCC1(C[NH2+]CCO)CC1,0,GDB ChEMBL
257469,CC12OC(=O)C3OC3C1NC(=O)C2C[NH3+],0,GDB ChEMBL
15531,C#CCC1C(O)(CC)CC(O)C1(CO)C(C)C,0,GDB ChEMBL
305817,CNC(=O)CC1CCC1[NH3+],1,GDB ChEMBL
156236,C=CCOCC=C(CC)CCC[NH3+],0,GDB ChEMBL
337113,CCC(O)C(O)C12CNC(=O)C1C([NH3+])C2,0,GDB ChEMBL
331507,CCC1(C)CC2C3CCC[NH+](C3)C1C2C,0,GDB ChEMBL
102344,CC(=O)N1CC2(C#N)C(=O)NC(C)C12,0,GDB ChEMBL
117432,CC12CC1C=C1Cc3cc(F)ccc3C=C12,0,GDB ChEMBL
168411,N#CCn1c(N)cc2c(C[NH3+])n[nH]c(=O)c21,0,GDB ChEMBL
303318,CCC(=O)C(O)C(Cc1cc(C)[nH]n1)C(C)O,0,GDB ChEMBL
81042,C#CCC(CC(C)(C(=O)COC)C(C)C)OC,0,GDB ChEMBL
92318,CCC1[NH2+]CC2CC2C1OCC1CC1,0,GDB ChEMBL
139825,CC(O)C(=CC(C)C(N)=O)C(=O)[O-],1,GDB ChEMBL
227945,C#CC1CCCC(C)(C)CC(C)C1CC,0,GDB ChEMBL
252633,C#CC1CCCC1c1cnc(C(C)O)c(F)c1,0,GDB ChEMBL
127691,Cc1ncc(C(=O)C2=NCCO2)s1,1,GDB ChEMBL
320775,CNc1csc(C(C)CCC2(CO)CC2)n1,0,GDB ChEMBL
255421,CCC1(C)CC(C(C)C)C2(C(C)C)CC[NH+]1C2,0,GDB ChEMBL
271506,NC(=O)CC1([NH3+])CCC([NH3+])C1O,0,GDB ChEMBL
115864,CC1c2c(Cl)cccc2C2C=CC3C1C23,1,GDB ChEMBL
249405,Nc1nc([O-])c(CC(=O)[O-])c(=O)o1,0,GDB ChEMBL
191407,CCCC1C=C(COC)CC(C)C=C1C,0,GDB ChEMBL
95944,O=C1CNC(=O)C2C(O)C2S(=O)(=O)[N-]1,0,GDB ChEMBL
337950,CC[NH+](CCO)C(C(C)N)C(C)O,0,GDB ChEMBL
5331,C1CCOC2CN=C3OCC([NH2+]C1)C32,0,GDB ChEMBL
5298,CCC1(O)CCC(CC)(CO)C1,1,GDB ChEMBL
316278,CCC1C[NH+]2CC1C(O)C(C)(C(C)C)C2,0,GDB ChEMBL
38745,CCCN=C(OCC)c1csc(C)c(F)c1=O,0,GDB ChEMBL
186659,COCCN(C)c1cc(F)cc(F)c1N,1,GDB ChEMBL
276080,CCOCCNc1c[nH]nc1CO,1,GDB ChEMBL
284738,COC1(C)C(=O)NC(N)=NC2(C[NH2+]C2)C1C,0,GDB ChEMBL
278840,NC(=O)N1CC2NC(=O)C1C(O)C2=O,0,GDB ChEMBL
175702,CCC(C)(C)Cc1ccc(C)c(C)c1,1,GDB ChEMBL
217698,CC1(C)CCCc2ccc(Br)c(N)c21,1,GDB ChEMBL
395959,C=CC(C=CC)C1(O)CCOC1=O,0,GDB ChEMBL
320467,CN1C(=O)CC([NH3+])CC(=O)OCC1C(C)(C)O,1,GDB ChEMBL
379176,CC(=O)NC(=O)C(O)CCO,1,GDB ChEMBL
276327,CC1=CC(C)(CO)C(O)CCC1,0,GDB ChEMBL
151183,CCc1cc(N)nc(C#CC(=O)[O-])c1I,1,GDB ChEMBL
398184,C#CC1(O)C2COC1CCC(CC)C2,0,GDB ChEMBL
244475,Cc1nnc(C2CCC(=O)[N-]S(=O)(=O)C2)o1,0,GDB ChEMBL
173675,CC(C)C1(C)CC2(C)CC(O)C=CC1C2,0,GDB ChEMBL
46905,CCC1(CC(F)(F)F)CC2CCC(C)C1C2,0,GDB ChEMBL
201985,N#CC(CCC(N)=O)=N[O-],1,GDB ChEMBL
43944,CC1C(CO)NC(=O)NC1C(=O)[O-],0,GDB ChEMBL
263229,C#CC1C(C[NH+](C)C)CC(=C)C1C,0,GDB ChEMBL
281820,NC1=NC(Cc2conc2C(=O)[O-])CO1,0,GDB ChEMBL
174195,CC(C)C(CCCC(C)(C)C1CC1)C(C)C,1,GDB ChEMBL
4862,CCC1CC2(OC)C[NH+](C)CC(O)C12C,0,GDB ChEMBL
102161,CN1CC(CO)=CC(O)CCC1(C)C#N,0,GDB ChEMBL
378289,C1=CCCC[NH2+]CCC2CCC(=C1)C2,0,GDB ChEMBL
71315,CN=C1NC(=O)OC1C(O)C[NH3+],0,GDB ChEMBL
234870,C#CC(CC12CCC(C)(CC1=O)C2)[NH2+]CC,0,GDB ChEMBL
179312,CC([NH3+])C12CC(O)CNC1(C#N)C2CO,0,GDB ChEMBL
25262,NC1=[NH+]C(CO)C2C(=O)NCC(N1)C(N)C2O,0,GDB ChEMBL
123001,N#CC1(CS(N)(=O)=O)CC(C[NH3+])C(=O)OC=N1,0,GDB ChEMBL
301488,C=CCc1nc(CC)c(C)cc1I,1,GDB ChEMBL
204461,CCC[NH+]1Cc2sccc2OC(C)(C(C)O)C1,0,GDB ChEMBL
48073,CNc1cnn(C(C)CO)c1,1,GDB ChEMBL
161941,C#CC(C)c1nccc(CC)c1Br,1,GDB ChEMBL
169430,N#Cc1ncc([O-])c(CCO)n1,0,GDB ChEMBL
204555,COC(C(N)C#N)C(C)([NH3+])CO,1,GDB ChEMBL
25214,CCC1C(C(C)C)OCCC(=N)N1C(C)=O,1,GDB ChEMBL
318528,C#Cc1c(C)cccn(C)ccc1CC,0,GDB ChEMBL
115284,[NH3+]CC12CC(=O)NC1C([NH3+])C(O)C2O,0,GDB ChEMBL
280853,COCC1(C(N)=O)CC1(N)C(C#N)C[NH3+],0,GDB ChEMBL
7377,CCC(C)CCn1ccc(C(C)C[NH3+])c1N,0,GDB ChEMBL
264013,CCN=C1OCC1Nc1ccc(F)cn1,1,GDB ChEMBL
184282,CCC1C(C)C(CN(C)C)[NH+]1C1CC1,0,GDB ChEMBL
202473,CCc1[nH]cc2cccc(Br)c12,1,GDB ChEMBL
260712,CCCNC(=O)CCC1COC1,1,GDB ChEMBL
38890,CCC1CC(=O)OCCC1C(CO)C(C)(C)O,0,GDB ChEMBL
332374,COC1CNC2C[NH2+]CC1C2COCC(C)[NH3+],0,GDB ChEMBL
175842,CN(C)C(=O)CC1Cc2coc([O-])c2C1,0,GDB ChEMBL
5315,CC1CC[NH+]2C3CCCC(C3)CC2CC1(C)C,0,GDB ChEMBL
222873,CNC(=O)C(C#N)OCC[NH2+]CCO,0,GDB ChEMBL
11754,CNC(C#N)C1CC2NC(=O)C(C1=NO)C2O,0,GDB ChEMBL
11206,CC#CC1CC#CCNC(=O)NC1,0,GDB ChEMBL
139819,COCC1C2(C)CC(=O)CC12O,0,GDB ChEMBL
240413,CC[NH2+]CC(CO)(CO)C(CCC=O)C[NH2+]C,0,GDB ChEMBL
111542,CN1CC(OC=O)COC1=O,1,GDB ChEMBL
399021,CCC1C=CC2=CCCCCC=CCC2C1,0,GDB ChEMBL
210733,C[NH2+]CC1c2cc(C)ccc2C2OC12C[NH3+],0,GDB ChEMBL
259344,CCC1[NH2+]C(CO)C(CC[NH3+])CC1(O)COC,0,GDB ChEMBL
9737,CCCCC1C(C)OCC2(C[NH+]=CN2)C1C,0,GDB ChEMBL
99669,C[NH2+]CC1CC2CC([NH3+])C1C2C,0,GDB ChEMBL
333638,C=Cc1cccc2ncnc(F)c12,1,GDB ChEMBL
300110,C#CCC1CC2OC(C)(C)C1CCCC2CC,0,GDB ChEMBL
189748,[NH3+]C1CC2OC1C1CC[NH2+]C21,0,GDB ChEMBL
55554,CCC12CCC(CC1)C1CCCC2C1,0,GDB ChEMBL
71436,C[NH+]1CC(O)C(C=O)C1C(O)C1COC(=[NH2+])N1,0,GDB ChEMBL
91212,Cc1csc(C2(O)CC(C#N)C2)n1,1,GDB ChEMBL
181345,NC(=O)C(O)C1OCC[NH2+]C2COC1C2C=O,0,GDB ChEMBL
34960,COC1(C(C)O)C(C(=O)[O-])C(O)CC1([NH3+])CO,0,GDB ChEMBL
249506,CCN(C)C1C([NH3+])CC1C[NH3+],0,GDB ChEMBL
280477,CC1(C#N)[N-]C(=O)C(C[NH3+])(CO)C1O,0,GDB ChEMBL
375864,CNC(=O)C(C)C(=O)OCCC(C)=O,1,GDB ChEMBL
390131,CNC1(C[NH3+])COC(=O)C1,0,GDB ChEMBL
188461,C[NH2+]CC(C)(C[NH3+])CS(N)(=O)=O,0,GDB ChEMBL
360968,CCCCC[NH2+]CC(O)C1CC1,0,GDB ChEMBL
170145,CC1CC(C)[NH+]2C3CC3CC2(C)C1,0,GDB ChEMBL
127891,CCNC(=O)Oc1cc(Cl)sc(=O)c1,0,GDB ChEMBL
358289,[NH3+]CC1C=CCC1CCO,0,GDB ChEMBL
161393,CCC1CC2C=CC(O)CCC1C2CC=O,0,GDB ChEMBL
239126,CC(C)(O)CC1(NC(N)=[NH2+])CC1O,0,GDB ChEMBL
305591,CCC1CC2C(CC([NH3+])C2C)[NH2+]1,0,GDB ChEMBL
8643,C#CCC1CC(Cc2cccc(C)c2Br)C1,1,GDB ChEMBL
325285,CCC(NC)(C1C[NH2+]C1)C([NH3+])c1ccsc1,0,GDB ChEMBL
392779,C#CCC(C)(C)C(C)CC1CCCC1C(C)C,0,GDB ChEMBL
169410,CCN1C2C(=O)C(=O)NCC(O)C21,0,GDB ChEMBL
302578,CCCC1OC(C)(C)C(=O)NC1C(CC)OC,0,GDB ChEMBL
201407,C#CC1CC1C(=O)N(C)CC(C)C(N)=[NH2+],0,GDB ChEMBL
141971,CN=C1OC2CC=CC2(C)N1CC(=O)[O-],0,GDB ChEMBL
362673,CC1([NH3+])CC(O)CC12Cc1nncn1C2,0,GDB ChEMBL
204818,CC1=CC2(CC[NH2+]CC2)C(C[NH3+])OC1,0,GDB ChEMBL
67329,C#CCNc1nsnc1OCC[NH3+],1,GDB ChEMBL
318171,CCNc1cc[nH+]cc1COCC,0,GDB ChEMBL
338389,Nc1cc(Cl)cc(C2(O)CCC2)n1,1,GDB ChEMBL
225243,N#Cc1c(Br)cnc(Br)c1CCN1CCCC1,1,GDB ChEMBL
196538,COC1C=CC2COCCC2C1,0,GDB ChEMBL
207676,COC1(C)C[NH+](C)CC2CNCC([NH3+])C21,0,GDB ChEMBL
382614,CCCc1nc(N)c(CC#N)ccnc[nH]1,0,GDB ChEMBL
230455,C#CC1C=C(C)CCC(CC)C1C(C)(C)C,0,GDB ChEMBL
324314,CCC[NH2+]CC1CC(C)CC=CC1CCC,0,GDB ChEMBL
112801,NS(=O)(=O)OC1C([NH3+])CCC12OC2C(=O)[O-],0,GDB ChEMBL
70903,COC(C[NH3+])CC12CC(C)=CC(C#N)(C1)C2,0,GDB ChEMBL
29005,CC1Cc2ccc(O)cc2C(O)CN1C(N)=O,1,GDB ChEMBL
328858,CC#CC#CC(C#N)CCC,1,GDB ChEMBL
366510,CC1(C[NH3+])NC(=O)C(=O)OC12CC2,0,GDB ChEMBL
194449,CC(C#N)[NH+]=CNCC[NH+]=C(N)N,0,GDB ChEMBL
288544,C1[NH2+]CC2C[NH+]3CC1C2C3,0,GDB ChEMBL
265498,N=C1NCCC2C(CC(C[NH3+])C2O)NC(=O)N1,0,GDB ChEMBL
280337,C[NH2+]CCC1C[NH2+]C2C(=O)COC(=O)NC12,0,GDB ChEMBL
34725,CC(O)C1=CNC(=O)C(N(C)S(C)(=O)=O)C1,0,GDB ChEMBL
81765,C#CC1C[NH2+]CCC(=O)C1,0,GDB ChEMBL
76807,NC12COC(=O)C(C1)CS(=O)(=O)[N-]C2=O,0,GDB ChEMBL
146906,[NH3+]C(CO)c1cc(CO)no1,0,GDB ChEMBL
210208,CCC(OC)C1CC1C(C)(C)C,1,GDB ChEMBL
362348,CCC(O)C(O)C[NH2+]C(CO)C1CO1,0,GDB ChEMBL
147563,COc1nn(CCC(=O)[O-])c(=O)c(=O)[nH]1,0,GDB ChEMBL
365830,CC12OCC(NC1=O)C2OS(N)(=O)=O,1,GDB ChEMBL
64650,C#CC1(n2cc(CO)nn2)C(CC)C1CC,0,GDB ChEMBL
27814,COCC(=O)N(C)C(CC#N)C(=O)[O-],0,GDB ChEMBL
12850,N#CC1OC(C(=O)[O-])C2(COC2)[N-]C1=O,0,GDB ChEMBL
100724,C#CC1CC(C)(O)CC[NH2+]1,0,GDB ChEMBL
244644,CCC1C[NH+]2CCC13OC(C)CC23,0,GDB ChEMBL
44691,CC1(C(N)=[NH2+])COC(=O)C(O)CN1,0,GDB ChEMBL
169078,CN1C(=O)C(n2cc(N)c(=N)cn2)CC1CO,0,GDB ChEMBL
53841,N=C(N)c1ncn2nccc2c1[N+](=O)[O-],0,GDB ChEMBL
376672,CC1[NH2+]CCC(C)([NH3+])C2OC(=O)N(C)C1C2O,0,GDB ChEMBL
50357,CCC1C(C(C)COC)C[NH+]1C,0,GDB ChEMBL
299594,O=C1NC2C3N4CCC23C(O)C14,0,GDB ChEMBL
380601,N#CCNCc1noc(C(N)=O)n1,1,GDB ChEMBL
319198,CN1C=C2C(=O)CCNC(=O)C2C1,1,GDB ChEMBL
134774,CCCC1CC(C)=CCCC#CC(C)C1,0,GDB ChEMBL
210378,CC1=CC2(C(N)=O)C3CC(O)CC1(C)C32,0,GDB ChEMBL
132846,CCCC(C#N)C1C[NH2+]C1C,0,GDB ChEMBL
160044,CCCC1CC2OC2(CC(F)(F)F)C1,0,GDB ChEMBL
160381,CCCC(CCC)C1CC(C)OC1C,0,GDB ChEMBL
274183,CC=Cc1ncc(C(C)C)cc1C,1,GDB ChEMBL
177898,[NH3+]CC1OCC(=O)N2C(C(O)CO)C12,0,GDB ChEMBL
207917,CC(C)c1ccc(CC#CCC2CC2)cc1,1,GDB ChEMBL
379895,CN1CC(=NO)C(C)(C)C[NH2+]C(CO)C1=O,0,GDB ChEMBL
239990,CC1[NH+](C)CCC12CCCCC2,0,GDB ChEMBL
247169,C=CC(OC)C1CC(C)C2CCC21,1,GDB ChEMBL
259122,CCNC(CN(C)C)=[NH+]CC#N,0,GDB ChEMBL
54784,C1CN2C3C[NH2+]CC2C1OC3,0,GDB ChEMBL
325701,CCc1cnc2c(c1F)C1CC1CCCN2,0,GDB ChEMBL
377026,CCC(c1cc(C)c(CO)c(F)c1F)C(C)C,1,GDB ChEMBL
271340,C#Cc1ccc(C2C=CC3CC32)cc1,1,GDB ChEMBL
191575,C#CC(C(=C)C)C(CC)C(O)CC,0,GDB ChEMBL
157508,Cc1ncc2c(c1CO)OCCCC2CO,0,GDB ChEMBL
328892,CC1(CO)COCC(O)C1,1,GDB ChEMBL
126985,CCCC12CC(CC(C)C)[NH+](C)C1(CC)C2,0,GDB ChEMBL
101869,CCC[NH+]1CC2(C=O)CC1C2,0,GDB ChEMBL
159842,CC(=O)OC1(CCC#CCO)C(O)C1(C)C,1,GDB ChEMBL
185289,C[NH2+]C(C(O)CO)C1[NH+]=C(N(C)C)NCC1N,0,GDB ChEMBL
355341,C[NH+]=CNC(CCC[NH2+]C)CNC(N)=O,0,GDB ChEMBL
230253,CCCC(CC(C[NH2+]C)C(C)C)C1CCOC1,0,GDB ChEMBL
286148,NC(CC[NH3+])c1ccon1,0,GDB ChEMBL
334037,NS(=O)(=O)CC1=NCCN1CCO,1,GDB ChEMBL
277643,CCC1C(O)C(=O)N2CC(C)(C#N)C(O)CC12,0,GDB ChEMBL
225468,CCOC(=O)CN(C)C(CC)S(=O)(=O)[O-],0,GDB ChEMBL
53269,CC(C(C)[NH+](C)C)N(C)C,0,GDB ChEMBL
358806,CCOC(=O)C1NC(C)C1[NH3+],0,GDB ChEMBL
151707,COCC12CCC3[NH2+]CC1C32,0,GDB ChEMBL
230447,CCC12CC(CC[NH+]1C)C1[NH2+]CCC12,0,GDB ChEMBL
340502,CCC(C)C1CC(C)C2(C)CC1CCCC2C,0,GDB ChEMBL
81527,CCC1CCCC2C=CC([NH3+])C(C)CC21C,0,GDB ChEMBL
31386,c1ccc(C2=NCCO2)cc1,1,GDB ChEMBL
93144,CCCN1CC([NH3+])C2OC2C([NH+]=CN)C1=O,0,GDB ChEMBL
4896,CC1CCC2CC1C(C[NH3+])O2,0,GDB ChEMBL
157457,N=C1COCC([NH3+])C(=O)N1,1,GDB ChEMBL
9862,CNS(=O)(=O)c1cn(C(C)C)cnc1=O,1,GDB ChEMBL
328879,C#CC(C#N)(C#N)N1CCOCC(C(N)=[NH2+])C1,0,GDB ChEMBL
140774,CCC1(CCC2C=CCCC2C)CC1,1,GDB ChEMBL
114359,CCN(C=[NH+]CC#N)CC[NH+](C)CC,0,GDB ChEMBL
140166,CCc1cc(I)c(C(C)C)nc1OC,1,GDB ChEMBL
262352,CNc1n[nH]cc1OCC(=O)[O-],1,GDB ChEMBL
151786,CC(C[NH3+])OC(=O)[N-]C(=O)NCC#N,0,GDB ChEMBL
294438,CC1CC(O)C(O)C(CO)S(=O)(=O)N1C,0,GDB ChEMBL
312531,C#Cc1cc(Cl)c(C)c(O)c1CO,1,GDB ChEMBL
126386,CC(C[NH3+])N1CC[NH2+]C2CC2CC1C,0,GDB ChEMBL
9925,CNS(=O)(=O)C(CNC(=O)C(C)[NH3+])C(C)[NH3+],0,GDB ChEMBL
274108,CCC1NC(COC)CC2=CC(C)(C)[NH2+]C21,0,GDB ChEMBL
234235,CC1=CC2CCCC(C)C1C2(C)CO,0,GDB ChEMBL
280616,Cc1nc(O)c(OC(N)=[NH2+])c(C(=O)CO)c1Cl,0,GDB ChEMBL
23542,CCC(C)C1COCC(C)(CC(C)[NH3+])C1,0,GDB ChEMBL
305314,[NH3+]C1CNC(C(=O)NC=O)CC1O,0,GDB ChEMBL
132465,CC1(O)C(C#N)CCC(O)C1O,1,GDB ChEMBL
6024,CC=Cc1cnccc1C[NH+](C)C,0,GDB ChEMBL
233948,Cc1nc(N2CC(O)C2)cccscc1O,0,GDB ChEMBL
286309,CCCCC1NC(=O)C2C(O)C12,0,GDB ChEMBL
24248,CCCC(C)C(C)(C)[NH2+]CCCCC#N,0,GDB ChEMBL
263495,CN1C2C(=O)OC3CC(C[NH3+])CC321,0,GDB ChEMBL
393583,CCOC(CC)C1=CC([NH3+])CC1,0,GDB ChEMBL
190047,CC12CC(NCCC#N)C(C1)C([NH3+])C[NH2+]2,0,GDB ChEMBL
345751,CNC(CC(=O)Nc1ccn[nH]c1=O)C(N)=[NH2+],0,GDB ChEMBL
156481,CC1(O)C(C(O)C[NH3+])C2C=CC1(C#N)C2,0,GDB ChEMBL
288715,CCC1=CC(C)CC(CCCC#N)CC1,1,GDB ChEMBL
305195,C[NH+]=C(N)CC(=O)[N-]S(=O)(=O)CC(N)C[NH3+],0,GDB ChEMBL
124512,CCOC1(C(NC=[NH2+])C(=O)OC)CC1,0,GDB ChEMBL
191714,CC1(C[NH3+])CCC2C1C1OCC[NH+]2C1CCO,0,GDB ChEMBL
63152,CCCCCCC(C)C(CCC)C(C)(C)C,1,GDB ChEMBL
10572,COCC1CC1c1c[nH]c(=[NH2+])cc1Br,0,GDB ChEMBL
370254,CCC1CC1C1CC2CCCCC2C1,1,GDB ChEMBL
59002,CC(=NO)C1C=CC(C(N)=[NH2+])(C(=O)[O-])C1O,0,GDB ChEMBL
77297,CNc1cc(O)c(OC)c(Br)c1C(C)=O,1,GDB ChEMBL
64302,[NH3+]C1C(C(=O)[O-])CC2NS(=O)(=O)CC21O,0,GDB ChEMBL
259616,CCOC(=O)[N-]S(=O)(=O)CC,0,GDB ChEMBL
47693,CCC1CCC(C)(C)CC(=O)C(C)(CC)OC1,0,GDB ChEMBL
255150,C#Cc1cc(Br)cc2c1C=CC(O)C2,1,GDB ChEMBL
334058,CCC#CC(C(=O)C[NH2+]C)C(=O)NC,0,GDB ChEMBL
239988,CC([NH3+])CC#CC#CCO,0,GDB ChEMBL
171882,C#CC1C2C=CCOc3ccc(cc3)C1C2,0,GDB ChEMBL
4831,CCOCCCCC(O)CO,1,GDB ChEMBL
335489,C#Cc1c(F)cncc1CO,1,GDB ChEMBL
677,Cc1n[nH]c(=O)c(OCC(C)[NH3+])n1,0,GDB ChEMBL
320260,CCc1ncc(Br)c(C[NH3+])c1N,0,GDB ChEMBL
39700,Cc1cc(F)cc2c1C(C1CC1C)C(C)C2,1,GDB ChEMBL
292534,CC(NS(=O)(=O)C1C([NH3+])C1(C)O)C(N)=O,0,GDB ChEMBL
311340,O=C1NCCC2CC13NC2C3O,0,GDB ChEMBL
372614,CC#CC(CCNC(=O)c1ccc[nH]1)=NO,0,GDB ChEMBL
259630,CCOc1cc2n(c1)C1CC(C2)[NH+](C)C1(C)C,0,GDB ChEMBL
353267,CN=C1NC(C)=CCN1C(=O)C(C)(C)O,1,GDB ChEMBL
67361,CN1CCCC[NH+]=C1N1CC1,0,GDB ChEMBL
389657,CC([NH3+])CC1=CC(C(N)=O)(C(N)=O)NC1=O,0,GDB ChEMBL
363755,N#CC1NC2C(O)C(=O)NC1C2O,0,GDB ChEMBL
344350,C[NH+](C)CCC(C[NH3+])C(O)COCC[NH3+],0,GDB ChEMBL
265311,CCCOC12C[NH2+]C(C1)C2OC,0,GDB ChEMBL
288738,CC1CC=CC12C[NH+]1CCC(O)C2C1,0,GDB ChEMBL
139834,C#CC[NH+]=CN(CC1CC1)C(C)(C)CC,0,GDB ChEMBL
144583,NC(=[NH2+])C1(CS(N)(=O)=O)COCC1O,0,GDB ChEMBL
252526,C#CC(C=O)(CC)C(=O)CC(=O)NC(C)C,0,GDB ChEMBL
236027,CCC1CC2(C)CC(CO)C1(CC(=O)OC)O2,0,GDB ChEMBL
60931,C[NH2+]CC1C(C(O)COC)C12COCC2O,0,GDB ChEMBL
160025,CCC(C#N)Cc1ncc(OC)c(OC)n1,1,GDB ChEMBL
61671,CCC12CCCCC(CC1)CC2C1CC1C,0,GDB ChEMBL
235179,CNC(=O)OC1C(O)CC(NS(C)(=O)=O)C1[NH3+],0,GDB ChEMBL
309619,CCS(=O)(=O)NC1CCOC(=N)NC1C=O,1,GDB ChEMBL
8744,NC(C(=O)[O-])C1NC(=[NH2+])OCC([NH3+])CC1O,0,GDB ChEMBL
160045,CCC1C(C)C2CCC1C2CC1CC1,0,GDB ChEMBL
226259,C#CCC(CC)Nc1ncnc(C[NH3+])c1CC,0,GDB ChEMBL
48720,CCC1[NH2+]C2CCOC(CO)C1C2,0,GDB ChEMBL
386519,CCC(=O)NC(=N)N(CC[NH3+])C(=O)OC,1,GDB ChEMBL
81463,CCC(=N)N(C)c1nc(C)cc(F)c1O,1,GDB ChEMBL
23462,C[NH2+]CC1C2CCC(C)(CC(C)C)C1C(=[NH2+])N2,0,GDB ChEMBL
136665,C[NH2+]CC(O)C1OCOC2C[NH2+]C1C2,0,GDB ChEMBL
46029,N=C1C(N)CN=C(N)N1C(=O)NCC(F)(F)F,0,GDB ChEMBL
353966,COC(=O)CN1C(=[NH2+])NC2C(C=O)C21,0,GDB ChEMBL
50358,CCCC(C(=[NH2+])NC)=C(C#N)CO,0,GDB ChEMBL
81779,CCc1c[nH]c(C)c1C(F)(F)F,1,GDB ChEMBL
287047,CNC(=O)C(=N[O-])C(OC(C)C)S(N)(=O)=O,0,GDB ChEMBL
64304,COC(=O)c1cnc(-c2ccccc2Cl)s1,1,GDB ChEMBL
130840,COC(CC(=N[O-])C(=O)NC=N)C(=O)[O-],0,GDB ChEMBL
126360,CC(=O)n1cnc2ccc(Br)cc21,1,GDB ChEMBL
60629,CC1C2CC=CC(CO)(CC2O)C1[NH3+],0,GDB ChEMBL
111506,CN1C(=O)C(O)C2N=C(N)C3[NH2+]CCC3C21,0,GDB ChEMBL
313348,CCOCc1c(Cl)c(O)nc2scnc12,0,GDB ChEMBL
352716,CC[NH+](CC1(C)CC1(O)CC)C(C)C,0,GDB ChEMBL
81506,C#CC(C)(C(C#N)=N[O-])C(CO)C(=O)OC,0,GDB ChEMBL
255539,C[NH2+]CCC(CS(=O)(=O)C1COC1)C(N)=O,0,GDB ChEMBL
31333,CC1CC2CS(=O)(=O)CCC(N2)C(=O)CO1,0,GDB ChEMBL
235591,C#CCCC1C=CCC(C)CC1O,0,GDB ChEMBL
214878,C[NH+]=C(N)NC1C(C=O)C1OCC(=O)[O-],0,GDB ChEMBL
287329,COC(=O)C1CC2NC2(C#N)CC(C)N1,0,GDB ChEMBL
136162,C#Cc1nc(O)n2c(Cl)cc(OC)c(C)c12,0,GDB ChEMBL
383927,Cc1scc(O)c1CC#N,1,GDB ChEMBL
340460,CC1(CS(=O)(=O)NCCO)CO1,1,GDB ChEMBL
124548,CC1C2CCNC(=O)CC1C2,0,GDB ChEMBL
363185,CC12C(O)C(O)C3(C)C4C(CC13)C42,1,GDB ChEMBL
173979,C#Cc1cc(Br)c(CCOCCC)cc1CC,1,GDB ChEMBL
231085,[NH3+]CCC[NH2+]C(C(=O)[O-])C1N=CNC(=O)C1O,0,GDB ChEMBL
124573,O=C([O-])c1c(O)ccnc1I,1,GDB ChEMBL
12732,CCC(=O)N1C(=O)C=CC(O)C2C(CO)C21,0,GDB ChEMBL
37183,C[NH+](C)C(CC[NH3+])C(O)C1(NC=O)CC1,0,GDB ChEMBL
366933,CC([NH3+])C1CC(CO)C(C(=O)[O-])O1,0,GDB ChEMBL
182260,CCN1C(C(=O)[O-])C(C)N(C)C(C)S1(=O)=O,0,GDB ChEMBL
211119,CC1CC(C)[NH2+]C(CO)C2(CCC(O)C2)C[NH2+]1,0,GDB ChEMBL
249845,C=CC1C(C)CCC(OC)C2CC12,1,GDB ChEMBL
362032,O=C1NCC(CO)(C(O)CO)CN1,0,GDB ChEMBL
208313,COC1(C([NH3+])C=CCC(C)C)CC1,0,GDB ChEMBL
234982,CCC(C)(C)n1cc2c(c1C(N)=O)CCCC2,1,GDB ChEMBL
130821,N#CC1C(=O)[N-]C2COC1(CO)C2[NH3+],0,GDB ChEMBL
125649,CN(CCO)C1CCC1[NH3+],1,GDB ChEMBL
11225,CCC1C2C(C(C)C)CC(C(C)C)C12,0,GDB ChEMBL
40369,[NH3+]CCC(O)c1cncs1,0,GDB ChEMBL
324278,CCCCCNc1cn[nH]c(=O)c(=O)n1,0,GDB ChEMBL
92865,NC(=O)Cc1cc(C(=O)[O-])ns1,0,GDB ChEMBL
47762,O=C1NCc2cc(S(=O)(=O)[O-])ccc2O1,1,GDB ChEMBL
121072,CCOCC(=O)NC(COCC)C(C)C,1,GDB ChEMBL
124793,CC(CCO)NC(=N)S(C)(=O)=O,1,GDB ChEMBL
340433,OC1Cc2cc(Br)cc3c2C1OCC=C3,1,GDB ChEMBL
124287,CN=C1OCCOCC(CC(C)=O)C1C(N)=O,0,GDB ChEMBL
121087,C#CC1=CC(C)CCC1OC,1,GDB ChEMBL
120871,O=C1CC[C-]1C(=O)c1ccc(O)cc1F,0,GDB ChEMBL
325868,COC1(CCC(N)=[NH2+])COC1,0,GDB ChEMBL
222196,CCC(O)C1CC2C(C)=CCC2C(CO)O1,0,GDB ChEMBL
83510,NC(=O)C(CO)OC1CC2C(=O)OC1C2O,0,GDB ChEMBL
156498,CC1C2CC=CC[NH2+]C(CO)C12,0,GDB ChEMBL
104472,CCC(=O)OCC#CC1(C)CC1,1,GDB ChEMBL
43905,CN1CC(CO)C1C(C#N)NC(N)=O,0,GDB ChEMBL
323312,CCC(C(=O)[O-])N1CC(=O)C1CC,0,GDB ChEMBL
385419,O=C1OCC2[NH2+]C(CO1)C(O)C2O,0,GDB ChEMBL
163391,CC1=CC2CC[NH+](CC[NH+]=CN1)CC2,0,GDB ChEMBL
28213,CC1[NH2+]CC2CC([NH3+])C1(CO)C2,0,GDB ChEMBL
58976,N#Cc1ncc(OC(N)=[NH2+])nc1N,0,GDB ChEMBL
37329,CC([NH3+])(C[NH3+])CC(CO)C1(C)CC[NH2+]CC1,0,GDB ChEMBL
89097,COC1C[NH2+]C2CCOC21,0,GDB ChEMBL
164660,CCC1CC(C)CC=C1C(CC)CC1CC1,0,GDB ChEMBL
288659,C[NH2+]CC1C2C(O)CC(OS(N)(=O)=O)C12,0,GDB ChEMBL
113485,C[NH2+]CC#CC(C#N)CO,0,GDB ChEMBL
354042,CCN1C(=O)C2CC2C1C1CCCC1,1,GDB ChEMBL
324075,CC(C)(C)CC1CCc2ncc(I)cc21,1,GDB ChEMBL
180807,C#CC1(Cc2cccnc2)C(C)CC(C)C1C,0,GDB ChEMBL
93420,CC(O)CCC(N=C(CO)OC=O)C(N)=O,0,GDB ChEMBL
239104,C[NH2+]C1C2CCCC(OC)C1CC2,0,GDB ChEMBL
362353,C[NH2+]CC1(C)CC2CCC(C2)C(O)C1C,0,GDB ChEMBL
258261,CN(C)c1cc(Br)c(CNC(N)=[NH2+])c(C#N)c1,0,GDB ChEMBL
384860,C[NH+]1CC2(O)CCOCC2(CC(F)(F)F)C1,0,GDB ChEMBL
352188,C[NH+]1CCCC(C)(C#N)CC1,0,GDB ChEMBL
284394,CCC(CC)C(C)COC(C)C1C=CCC1,1,GDB ChEMBL
246381,COCC1CC[NH+]=C(N)N1C=[NH2+],0,GDB ChEMBL
25141,N=C1NC(=O)C2C3CCCC(C3)CC12,0,GDB ChEMBL
66134,C#CCCc1cnc(C[NH2+]C)s1,0,GDB ChEMBL
277385,CC1Cc2cncc(c2)C#CCC2CC2C1,1,GDB ChEMBL
391591,CCCC(C)(CCC)N1C=[NH+]CCCCCC1,0,GDB ChEMBL
336020,CC1C(C)C2(C)CC(=O)C(CO)C[NH+]1C2,0,GDB ChEMBL
9699,N#CCCNc1ncc(N)nc1N1CCC1,1,GDB ChEMBL
235993,CCOCC(C)=CC[NH2+]C1CCC1,0,GDB ChEMBL
191672,CCCC1CC1Cc1ccc(Br)cc1,1,GDB ChEMBL
309155,CCc1n[nH]c(=O)c(C(C)(C)O)c1CC#N,1,GDB ChEMBL
321813,C[NH2+]C(C)C12C=CCC[NH+](CC1)C2,0,GDB ChEMBL
115717,C[NH2+]C1C(C#N)C(C=O)C(C[NH+](C)C)C1(C)C,0,GDB ChEMBL
307515,CCC(C)C1(OC)C2CC(C)C1C(OC)C[NH2+]2,0,GDB ChEMBL
281203,C#CCCC12COCCC[NH2+]CC1C[NH+](C)C2,0,GDB ChEMBL
238158,C#CCC(C)C1CC[NH+](C)CC1(O)COC,0,GDB ChEMBL
129441,CN(C(N)=O)C(=O)CC(=[NH2+])NCCCO,1,GDB ChEMBL
75835,CCC1CCC(CC(C)C(C)COC)C1,0,GDB ChEMBL
320769,COCC1CCC(CC[NH3+])C1OC,0,GDB ChEMBL
84562,O=C(OCCO)C1CNC=[NH+]1,1,GDB ChEMBL
39750,C[NH2+]CCOc1nc(C(C)OC(N)=O)sc1N,0,GDB ChEMBL
210723,CC1=CC(C(C)C)C(CC(C)C)C(C)C1,0,GDB ChEMBL
119948,CCCC(C)C1=CC(OC)C2OC12C,0,GDB ChEMBL
273960,N#CC1CC(C(O)C(=O)[O-])N1,0,GDB ChEMBL
372192,CC1CC(C)(C)C=CC2C[NH+](C)C(C)CC12,0,GDB ChEMBL
129853,CCN(C=O)C(=O)C1C([NH3+])CCC1(C)C,0,GDB ChEMBL
171861,CC(O)CNC(=O)C1C2CCC1C2,1,GDB ChEMBL
218835,CCc1cc2cccc(F)c2cn1,1,GDB ChEMBL
283970,CNCC1(C#N)OC1C(O)C([NH3+])CO,0,GDB ChEMBL
148237,CCCC1CN2C(=O)C(C)C12,0,GDB ChEMBL
392515,CC1OC(C)C(O)C(CO)OC1C,0,GDB ChEMBL
24517,CN(C(=O)C#N)c1ccc(Cl)c(CCCO)c1,1,GDB ChEMBL
398720,CC1C(O)C2(C[NH3+])COC(C(=O)[O-])C1(O)C2,0,GDB ChEMBL
358139,CCN1CC1C(C)C(O)C[NH3+],0,GDB ChEMBL
386502,CCCC(CO)(OC)C(CC)(CC)C1CC1,0,GDB ChEMBL
132696,CC1C=CC2C3CC[NH+](C)CC1C23,0,GDB ChEMBL
236626,CC1[NH2+]C(C(=O)N(C)C)C2CC12,0,GDB ChEMBL
188111,C[NH2+]CC1CC2CC(CC(=O)OC3CC23)N1,0,GDB ChEMBL
99571,CC1C(CC([NH3+])CO)C1OS(N)(=O)=O,1,GDB ChEMBL
80355,NC(=O)OC1CN=C(CO)NC1,0,GDB ChEMBL
288945,CC(O)CC[NH2+]CCCC(=N)OC(=O)CO,1,GDB ChEMBL
252716,C#CC(O)(CC([NH3+])CC1(C)CO1)C(C)(C)C,0,GDB ChEMBL
247185,C#CCNCC(=N)OC(C)CO,1,GDB ChEMBL
27975,CC1CCN(C(=[NH2+])CN)C1,1,GDB ChEMBL
31353,COC1C(O)CC2C3(O)CC(=O)NCC123,0,GDB ChEMBL
292535,NC(=O)C1C(O)(CO)C1(N)C(=O)[O-],0,GDB ChEMBL
197425,C[NH+]=C1NCC(OC(C)C)CC1CCO,0,GDB ChEMBL
372578,C[NH2+]CC1CC=C(C)CC1C1(C)CC1,0,GDB ChEMBL
204522,CC12OC1CCC1CCOCC(O)C12,0,GDB ChEMBL
95893,CC1CC2CCC1C(C)(CCC(F)(F)F)C2C,0,GDB ChEMBL
130616,Nc1ncc2c(C[NH3+])nc(O)nc2c1CO,0,GDB ChEMBL
80509,C[NH2+]CC(C#N)C(C)C1(C)CCCC[NH2+]1,0,GDB ChEMBL
265284,CC1OC(=O)C(O)CC1OC(N)=O,1,GDB ChEMBL
203567,C#CCOC(C#N)CCOC,1,GDB ChEMBL
16737,CNC(=O)C1COC2C[NH2+]CCC(C)(C)C1C2,0,GDB ChEMBL
221369,COCC1C(C)C=C(C)C2CC21,0,GDB ChEMBL
170404,CC1CC(CCCCO)OC(C)(C)C1[NH3+],0,GDB ChEMBL
121709,COC1CC(OC(C)C)OC1C,1,GDB ChEMBL
306267,C#CCC(CC)C(CO)Oc1cc(F)ncn1,0,GDB ChEMBL
173990,COCC12C(C)N=C(N)NC(=O)C1C2[NH3+],0,GDB ChEMBL
233956,CCNC(=O)COC(C)C(C)=NO,1,GDB ChEMBL
188519,C[NH+]1CC(C(O)(CCO)CCOC(N)=[NH2+])C1,0,GDB ChEMBL
308269,CC(=O)N1CC2C(C1)C1OC21,1,GDB ChEMBL
362376,C=CC1=[NH+]CC(CC(C)CCO)N1,0,GDB ChEMBL
354011,CC1=CC=CCc2ccc(C)c(c2C)CC1,1,GDB ChEMBL
319162,C[NH2+]C1(C(=O)[O-])C(O)COC1CCO,0,GDB ChEMBL
389094,CC1([NH3+])CCC(CCO)C(C)(O)C(=O)OC1,0,GDB ChEMBL
281675,CN=C1NC(=O)N(C)CC2CC([NH3+])C(O)C2O1,0,GDB ChEMBL
338853,CC1(C[NH3+])NC(=[NH2+])OCC(O)C(O)C1C(=O)[O-],0,GDB ChEMBL
15584,CCc1ccc(F)c(CC)c1C(C)[NH3+],0,GDB ChEMBL
132828,CCC([NH3+])C(C)(O)CC#CC(C)C(=O)NC,0,GDB ChEMBL
265475,CC1=CC2OCC(C(C)CCC1)C2O,0,GDB ChEMBL
31314,N=C1NC(C(N)=[NH2+])C(O)C(O)C(C[NH3+])O1,0,GDB ChEMBL
191414,Cc1cc2c(cc1F)CC1OC(C2)C1(C)C,0,GDB ChEMBL
227287,O=C1[CH-]C(=O)OC(Cc2nc(CO)no2)O1,0,GDB ChEMBL
169069,C[NH2+]CC1(C)OCC(C(=O)[O-])CC12CN2,0,GDB ChEMBL
255503,CC1(CO)CCCC(C2(C[NH3+])CC2)C1,0,GDB ChEMBL
26393,CC1CC2[NH2+]C(C)C1C(CO)C2C,0,GDB ChEMBL
220193,CCC1CC[NH2+]C(C(C)C)C2CC12,0,GDB ChEMBL
317156,Cn1cc(CC(=O)C#N)cc1C(N)=O,1,GDB ChEMBL
39674,CCC12CC(OC)(C[NH+](C)C1C)C2,0,GDB ChEMBL
75457,CC(N)=[NH+]c1cc(C[NH3+])ncc1CC(C)C,0,GDB ChEMBL
169358,OCC[NH2+]Cc1c[nH]c2cc[nH]c12,0,GDB ChEMBL
308195,COC1(C)CC2(C#N)C(=O)OC1CC2N,0,GDB ChEMBL
398955,CCCC1C(C)CC2C1C21CCCC1,0,GDB ChEMBL
378101,C#CC1(C(N)=O)C(CC)N1CCS(=O)(=O)[O-],0,GDB ChEMBL
208260,CC#Cc1cc(=O)[nH]nc1C#CCOC,1,GDB ChEMBL
86714,Cc1nc2c(nc(=O)n1)NCCCO2,0,GDB ChEMBL
354076,CC1CC2CCCC(C2)C1[NH3+],0,GDB ChEMBL
319170,CC12CCC3OC1CC(O)CC32,0,GDB ChEMBL
140302,CC1(C[NH3+])C2CC(O)C(CO)N21,0,GDB ChEMBL
53677,CCc1cc(CO)c(Br)c(C)c1CC[NH2+]C,0,GDB ChEMBL
75814,Cc1ccc(O)n1CC(C)[NH3+],0,GDB ChEMBL
328958,CCC(COC)C1(C)C[NH2+]C1,0,GDB ChEMBL
101884,CC1C([NH3+])COC(=O)N1C(N)=O,1,GDB ChEMBL
328843,CC(=O)c1ccnnc1N=CNC(N)=[NH2+],0,GDB ChEMBL
274146,CC=CC1CCCOC(=O)C2CN12,1,GDB ChEMBL
238033,CC1NC(=[NH2+])C(CO)C1=O,0,GDB ChEMBL
210276,CC#CC1NCc2cc(C[NH3+])cn2C1CO,0,GDB ChEMBL
44610,CC1CCCC2CCC(C2)C1=O,1,GDB ChEMBL
274364,N=C1OCCNC(CO)C1=O,0,GDB ChEMBL
75008,C[NH2+]CCc1nc(N)ncc1Cl,0,GDB ChEMBL
109741,CCCC(C#Cc1ccccc1C)C1CC1,1,GDB ChEMBL
356842,C[NH2+]CC(=O)N1C2CC1C2=O,0,GDB ChEMBL
134432,Nc1ncnc(=O)ccocc1CCCCO,0,GDB ChEMBL
83070,CC(C)C1(C)CCCC2(CCCC2)C1CC#N,1,GDB ChEMBL
300659,CNc1cnc(C)c(C(N)C(C)[NH3+])c1Br,0,GDB ChEMBL
195428,N=C1NC(CCC(=O)[O-])C(=O)COC1=O,0,GDB ChEMBL
41105,NC(=O)CNC1C[NH2+]C2(C1)CN(C(N)=O)C2,0,GDB ChEMBL
375558,CCCCC1CC2(C)C(C)C2[NH2+]1,0,GDB ChEMBL
112088,CC1C2CCc3c(Br)cc(Br)cc3C1CC2,1,GDB ChEMBL
181381,CC1(CC2CC=CCC2)CCCC1,1,GDB ChEMBL
45942,CCC(C)CC1CCC2(C)CCC1C2,0,GDB ChEMBL
289296,CC1CN(C(N)=[NH2+])C2(C#N)CC(=O)NC12C,0,GDB ChEMBL
160819,NC(=O)C1CC([NH3+])C2CC(CCO1)C2,0,GDB ChEMBL
18337,Cc1[nH]cc(CO)c1C(C)(C)CO,1,GDB ChEMBL
300473,N#CCN(C=[NH2+])Cc1ccc2nc[nH]c2c1F,0,GDB ChEMBL
240495,[NH3+]CCC=C1C=CCCCCCC1,0,GDB ChEMBL
271001,CC1(CCC(F)(F)F)C([NH3+])CC2CC21,0,GDB ChEMBL
209466,CCCC(C)Cn1c(C)ccc1C[NH2+]CC,0,GDB ChEMBL
121972,CC1(C)C[NH2+]C2CCC(CO)C21,0,GDB ChEMBL
209829,CC(C#CCO)C1CCOC1C,0,GDB ChEMBL
353280,O=COCC1(COC=O)CC1C(=O)[O-],0,GDB ChEMBL
319139,N=C(NC(N)=O)C(N)C(=O)N1CCCC1C[NH3+],0,GDB ChEMBL
248214,CC(C)C1C2C(C)CC1(C)CC2C,0,GDB ChEMBL
280016,CC1CCCC2(CC1)C(C)CC1CC[NH+](C)C12,0,GDB ChEMBL
350943,CCn1ccc2cc(C)c(=O)c(C(=N)N)nc21,0,GDB ChEMBL
236675,N#CCNC1=NC2C(=O)NC1C2O,0,GDB ChEMBL
318009,CCCCC(C)(CC[NH2+]C(C)C)CC(C)(C)C,0,GDB ChEMBL
118379,C#CC(C#C)C1CCCC1C[NH3+],0,GDB ChEMBL
283449,CN1C(=O)OC2C1C(C)(C)C(O)(C(=O)[O-])C2O,0,GDB ChEMBL
17586,COC1C2NS(=O)(=O)C1C(C[NH3+])C2O,0,GDB ChEMBL
199044,CC12OC(=O)CC(O)C(C(N)=O)C1(N)C2[NH3+],0,GDB ChEMBL
285757,N#CC1C(N)(C(N)=O)C1(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
277138,[NH2+]=C1NC2CC(O)C[NH2+]CC2O1,0,GDB ChEMBL
304407,CCC1CC2C=CC1CCC=CC2,0,GDB ChEMBL
79549,CNC(=O)C1NC(=[NH2+])CNC1C#N,0,GDB ChEMBL
266476,CNC(=O)NC(=O)C(C)C(N)C#N,1,GDB ChEMBL
375852,CC1=CS(=O)(=O)NC1C(C[NH3+])C(=O)OC(C)C,0,GDB ChEMBL
375460,C#Cc1cc(F)c(CC)c2c1CC[NH2+]C2,0,GDB ChEMBL
338630,NS(=O)(=O)C12C3CCN1C(CC(=O)[O-])COC32,0,GDB ChEMBL
396097,C#CC(CO)Oc1c(Cl)cccc1Cl,1,GDB ChEMBL
359166,C#CCC1C(CCO)CCC1CC(C)([NH3+])CC,0,GDB ChEMBL
393547,CCC(C[NH3+])OCC1CC1C,0,GDB ChEMBL
177223,CC1COC(C(O)C(=O)[O-])C1O,0,GDB ChEMBL
312250,C[NH+]1CCC(C)(C(N)=[NH2+])C1,0,GDB ChEMBL
225208,CCC(OC)C(CC(C)CO)C1CC1C,0,GDB ChEMBL
27920,NC(N)=[NH+]CC1CCNC(=O)C(N)C1[NH3+],0,GDB ChEMBL
851,COC1COC(=N)NC(=O)CN(C)CC1=NO,0,GDB ChEMBL
179125,Nc1nnc(OC(=O)CCOCC[NH3+])s1,1,GDB ChEMBL
216566,CC1CC2C(C)(C)C23C1CCC3(C)O,0,GDB ChEMBL
258204,CCC([NH3+])C[NH+](C)C(C)C,0,GDB ChEMBL
129380,NC(=O)CC1NC(=[NH2+])OC1C1CC(=O)C(O)C1,0,GDB ChEMBL
348429,C[NH+]1CC2C(=N)NC(=O)C(O)CC21,0,GDB ChEMBL
262332,O=C([O-])C1COC2C(CN3CC23)N1,0,GDB ChEMBL
47221,COCc1ccnc(N)sc(O)nc1O,0,GDB ChEMBL
87038,CC(CO)NC(=O)Cc1cc(N(C)C)n[nH]1,1,GDB ChEMBL
201673,CC(C(=O)[O-])C1OC1C([NH3+])C(O)C(=O)[O-],0,GDB ChEMBL
246385,NCC(=O)Oc1nc(N)nnc1CCO,1,GDB ChEMBL
86753,CC#CC(C)(C)C1CC(C)CC1[NH2+]C,0,GDB ChEMBL
28357,CC1C=CCCCC2C[NH+](C)C2CC(C)C1,0,GDB ChEMBL
347960,Cc1cc(Cl)c2c(c1O)C(=O)N1CC21,1,GDB ChEMBL
195302,CC#CC(C)C1C[NH+](CC)CC1O,0,GDB ChEMBL
100989,NC1=NCCCC(N)C(=O)N1C=O,1,GDB ChEMBL
284752,CCC(C)C(C)CCC(C)C(C)C,1,GDB ChEMBL
257501,CC1C=CC([NH3+])(CO)CC1,0,GDB ChEMBL
227582,CN(C)C(=O)OC1(C)CNC1=O,1,GDB ChEMBL
134753,CC1C([NH3+])CC(C(C)(C)C)CC1C1CC1,0,GDB ChEMBL
389418,CCCc1nc(Cl)c(Cl)c(C#N)c1NC,1,GDB ChEMBL
126609,CCC1(C)C2CC[NH2+]CC1C1([NH2+]C)CCCC21,0,GDB ChEMBL
201702,COC(C)(CO)C1(C(N)=[NH2+])C(N)CCCN1C,0,GDB ChEMBL
252281,CC(C)C1CCC(=O)CC1(C)C,1,GDB ChEMBL
134488,CC1C2NC(C(O)COC2=O)C1O,0,GDB ChEMBL
132874,COC1CC2(O)CC(O)C(O)C2C1=O,0,GDB ChEMBL
159740,Cc1ncn2nc(N)c(CC([NH3+])C(N)=O)nc12,0,GDB ChEMBL
372690,CC1C2CC2C2(c3ccsc3)CCC[NH+]1C2,0,GDB ChEMBL
76782,C#CC(C)(O)CC(CO)COCC1CCC1,1,GDB ChEMBL
29002,OCCCc1cc(Br)c2[nH]ncc2c1CCO,1,GDB ChEMBL
354474,C#CC1(NCC(C)O)C(CC)[NH2+]CC1C(C)[NH3+],0,GDB ChEMBL
271857,C#CC(C)[NH2+]CCCOCCO,0,GDB ChEMBL
341201,CCC1CCCCC2(C(C)C)C(C)CCC2C1,0,GDB ChEMBL
339937,CCC([NH3+])CN(C=O)S(=O)(=O)CC(C)C#N,0,GDB ChEMBL
338098,CC1OC(=O)NC(=N)CC2C=CC=CCC21,0,GDB ChEMBL
26802,CCCC(CC)c1cc(I)cc(C(F)(F)F)c1,1,GDB ChEMBL
331510,CC#CC1CC2(CCN(C(N)=O)CC2)C1,1,GDB ChEMBL
273956,C1CC2C3[NH2+]CC3CN2C1,0,GDB ChEMBL
296064,COCC12C=CCCC1CC2C(C)(C)C,0,GDB ChEMBL
210409,CCNC(=O)N1CC=CC1C(C)=NO,1,GDB ChEMBL
239119,CC([NH3+])C1C(C)([NH3+])C1(C)OCC(=O)[O-],0,GDB ChEMBL
283972,CC(=O)C(=O)NC(C)CS(N)(=O)=O,1,GDB ChEMBL
289806,CCc1ccc(Cl)c2c1CCN1CC21C,0,GDB ChEMBL
278218,CCC1(C)CCCC(C#N)(C(CCO)OC)C1,0,GDB ChEMBL
149357,CC(=O)Nc1cncc2nc(=O)cc(O)n12,0,GDB ChEMBL
389080,C[NH+]1CCCCC2CC([NH3+])(C2)C(C(=O)[O-])C1,0,GDB ChEMBL
302321,CN1CC(=O)N(C(=N)N)CC2(CO2)C1,1,GDB ChEMBL
338591,CNC(C#N)(CC([NH3+])C(C)NC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
70310,CC1(C2[NH2+]CCCC2NC(N)=O)CN1,0,GDB ChEMBL
236543,CC1=CC(C)(C)CC2(CCCCC2)C1,1,GDB ChEMBL
322900,COC(=O)c1cc(C(N)=[NH2+])c2ncncnc1-2,0,GDB ChEMBL
392505,CC1OC2OC(=O)NC(CO)CC1NC2C=O,0,GDB ChEMBL
59198,COC(C)CC(CC1CCC(C)(C)C1)C(C)C,1,GDB ChEMBL
296029,CCCC1CC=CCC1(C)CO,1,GDB ChEMBL
151098,CCOC1C2C=CCC1(C[NH3+])C2[NH2+]C,0,GDB ChEMBL
28273,CC(O)C1OC(C)C(C(N)=O)CC12CC2[NH3+],0,GDB ChEMBL
235991,C[NH+](C)CCc1cccc(Br)c1O,0,GDB ChEMBL
334621,CCC1CC(C(C)O)NC1=[NH2+],0,GDB ChEMBL
63117,CC#CC12CCNC(=O)CC([NH3+])(CC)C1O2,0,GDB ChEMBL
161021,N#CC(Cn1ccnc1)OS(N)(=O)=O,1,GDB ChEMBL
67626,OCC[NH2+]CCCC1Cn2ncnc21,0,GDB ChEMBL
105109,CC[NH+]1CCC(C(C)OC(=O)C(O)C[NH2+]C)C1,0,GDB ChEMBL
35479,CC[NH+](C)C1C=CC(C(O)C=O)C(=O)OC1,0,GDB ChEMBL
351196,C#CC[NH+]1CC2CC3CCC(CC1C2(C)C)[NH2+]3,0,GDB ChEMBL
376044,CCCC(C)OCC1=CC(C)C2C1C2(C)C,0,GDB ChEMBL
84500,CC1CC2C(O)C(C)C(O)C2[NH2+]1,0,GDB ChEMBL
261186,C=CC([NH3+])(CC(C#N)NC)C(C)C,0,GDB ChEMBL
222170,CC=CC=CC(C)(CCC)C(C)C,1,GDB ChEMBL
194256,NC(=[NH2+])CC1CCC[NH2+]C1,0,GDB ChEMBL
368497,COCC1CC(C)C2(CC(C#N)CC2=O)C1=O,0,GDB ChEMBL
321435,CC(O)C1C2(C(=O)[O-])CC1(CO)C(CN)[NH2+]2,0,GDB ChEMBL
13858,CNC(=[NH+]C)N1C=C(CO)CC1C,0,GDB ChEMBL
86684,CCCCC1CCC2C3C(C)C[NH+]1C23,0,GDB ChEMBL
309851,CNc1ccc(O)c(-c2ccoc2)c1C[NH3+],1,GDB ChEMBL
222908,CC(O)C(O)C1C(=N)OC(=O)CC1[NH3+],0,GDB ChEMBL
88128,CC1CC2(C)CC(C)[NH+](C)CC2(C)CC1=O,0,GDB ChEMBL
368448,CC1(O)C2NC(=O)C(O)C(CCO)NC21,0,GDB ChEMBL
199491,O=C1CC(=O)NC(=O)OC(=NCCO)CN1,1,GDB ChEMBL
98867,O=C1NCC=C1CCOCC1CCC1,1,GDB ChEMBL
210703,Cn1ncnc1C1(C(=O)[O-])COCC1[NH3+],0,GDB ChEMBL
53859,COC(=O)C1C2C(C)C[NH+]1C(C)C2CC(C)C,0,GDB ChEMBL
44951,O=C([O-])C1(O)C(=O)NC1CCO,0,GDB ChEMBL
235504,CCC(C(N)C1CCC[NH2+]1)C(C)([NH3+])C(C)OC,0,GDB ChEMBL
61714,C#Cc1cc[nH]c2ccccc2ncc1C,0,GDB ChEMBL
263432,COC(=O)Cc1cc(I)c(CO)c(=O)[nH]1,1,GDB ChEMBL
143487,CC[NH+]=C1NCCCC1[NH3+],0,GDB ChEMBL
351290,C=C(C=O)C=CCCC(CC)[NH2+]C,0,GDB ChEMBL
351188,C[NH+]1C2C(CC#N)CCC2CC1(C)C,0,GDB ChEMBL
372474,CNC(=O)C1NC(NC(N)=O)=NC1C(O)CO,0,GDB ChEMBL
276110,CCC1CC(O)CNC2=[NH+]C1CC2,0,GDB ChEMBL
389650,C#CC1CCCC=CC1CC,0,GDB ChEMBL
234262,C[NH2+]C(C)C(O)(C(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
6126,C=CCCCC(CCC=CC)OC,1,GDB ChEMBL
233936,CCCc1nc(O)cn1C1COC1,1,GDB ChEMBL
10559,C#CCCCCc1cccc(CCC)c1C#C,1,GDB ChEMBL
349460,CCCc1c(C)cc(Cl)c2c(C)sc(C)c12,1,GDB ChEMBL
160390,C#CC([NH3+])(COC)C(C)CCC[NH2+]C,0,GDB ChEMBL
228789,COC1(C)CCCC1(C[NH3+])CC(C)C(C)C,0,GDB ChEMBL
35466,CC(CO)CC(=O)c1[nH]ccc1CO,1,GDB ChEMBL
85855,CC(NC(=O)C[NH3+])(C(N)=[NH2+])C(N)=O,0,GDB ChEMBL
159713,C#CC#CCCc1ccc(Br)c(C)c1,1,GDB ChEMBL
270035,CCCC[NH+](C)CCOCCO,0,GDB ChEMBL
383954,CC1C2CC(C[NH2+]2)C2CC12c1ccccc1,0,GDB ChEMBL
348716,CC[NH2+]C(CC(C)=O)C(C)C(C)CC,0,GDB ChEMBL
338141,CC(=O)CC1=CC[NH2+]CCC1C1CC1,0,GDB ChEMBL
221950,CN1C(C)(C)C(=O)OCC1(C)C(N)=O,1,GDB ChEMBL
11211,CC(=O)OC1C(O)CS(=O)(=O)C2C1CN2C,0,GDB ChEMBL
235635,CC1(C(=O)[O-])C(=N)OC(=O)NCCC(=O)C1O,0,GDB ChEMBL
35732,C#Cc1cc(C)cc2c1C(CCC)CC(C)C2,0,GDB ChEMBL
330107,CC1C=CC2C3C(CC[NH+]2C)C3CC(=O)O1,0,GDB ChEMBL
21690,Cc1c2c(c(N)n1CC#N)OCC2,0,GDB ChEMBL
76392,CCC(C)(C)CC1=C(C)CCC(C)C1,1,GDB ChEMBL
302420,CCC12CC(C#N)CN1C2C[NH2+]C,0,GDB ChEMBL
389658,N#CC(C(O)CO)C(COC(N)=O)CC(=O)[O-],0,GDB ChEMBL
188493,CC([NH3+])C1CC(=O)OCC1(C)C1C[NH2+]1,0,GDB ChEMBL
64331,CCc1c(N)cc(F)c2c1C=CCO2,1,GDB ChEMBL
103923,CC1N(C)C(=O)NCC(C[NH3+])C(O)C1(O)C[NH3+],0,GDB ChEMBL
77302,CC1C=CC(CC2CC2)C[NH2+]1,0,GDB ChEMBL
136101,CC=CC(CC[NH3+])=C(C)CCCC,0,GDB ChEMBL
130363,CCCC12CCCCC=C1C(C)CC2,0,GDB ChEMBL
115461,CCCC1(CO)C=C(CO)C(C)C1,0,GDB ChEMBL
171906,c1cnc2c(n1)CC1NC1C2,0,GDB ChEMBL
254950,N#CCCc1ccc2cc(F)nnc2n1,1,GDB ChEMBL
310742,COCCC1C2CC2C2CC2C12CC2,0,GDB ChEMBL
212553,CC=CC(CC=C(C)C)CC(C)C,0,GDB ChEMBL
370316,CNC(=[NH2+])CC(N)C(C#N)C(C[NH3+])OC,0,GDB ChEMBL
46885,[NH3+]C12C3CCN(CC3)C1C2O,0,GDB ChEMBL
77724,OCCC1CCC=CC2OC12,1,GDB ChEMBL
203211,C#CC1(C#C)C[NH2+]CC1(C)N(C)C(C)=O,0,GDB ChEMBL
305219,Cc1nc2[nH]cnc2c(N(C)C)c1Cl,1,GDB ChEMBL
362650,CCOC1C(C)CC2CC21O,1,GDB ChEMBL
208372,C[NH2+]C12COC(=O)CCC1C2,0,GDB ChEMBL
46004,NC(=O)C12CC(=O)NC(=O)NC1C2,0,GDB ChEMBL
276296,CCCCC1C2C([NH2+]C)CCC(C)C12CC,0,GDB ChEMBL
95485,C#CC1C(C)C(O)C(C)(C(=O)OCCC)C1C,0,GDB ChEMBL
125658,COC1CNCC(C#N)C12CCS(=O)(=O)N2,0,GDB ChEMBL
173741,CC1CC([NH+](C)C)C1OCC[NH3+],0,GDB ChEMBL
70947,CC1(C)CC(C[NH3+])CC2CC=CC=CC21,0,GDB ChEMBL
70291,CC(=O)NC1(C#N)CC(C(N)=O)NC1C=O,0,GDB ChEMBL
48081,CC[NH2+]Cc1cccc(OC)c1OC,0,GDB ChEMBL
63143,C=C(C)C(C(C)O)C1CC1C(C)[NH3+],0,GDB ChEMBL
310138,CNC(C(N)=O)C(N)(CC[NH2+]C)C(N)=[NH2+],0,GDB ChEMBL
341917,CCC(=O)C1(C#N)CCC(O)C1C,0,GDB ChEMBL
331457,CC(C)c1[nH]nc(CO)c1C(=O)[O-],1,GDB ChEMBL
304294,CNC(=O)C(OCC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
263507,COc1cnc(N(C)C)c(F)c1,1,GDB ChEMBL
132179,CC1=CCC=CCC(C)(CCCO)C1C,0,GDB ChEMBL
253575,N#CC12CC1N1CCC2C1CO,0,GDB ChEMBL
54811,CC(c1cnsn1)C(NC1=[NH+]CCN1)C(=O)[O-],0,GDB ChEMBL
71312,NC(=O)Cn1nc(N)nc(C(=O)CCO)c1=O,0,GDB ChEMBL
250632,CC(O)C1CCCC(C)(O)C(C)(O)C1CC[NH3+],0,GDB ChEMBL
202820,CCC(O)C(O)C(=O)CS(N)(=O)=O,1,GDB ChEMBL
334446,C[NH2+]CCOCC(C#N)C(N)=O,0,GDB ChEMBL
363152,CCC1CC2CC2C2C1CC(C)[NH+]2C,0,GDB ChEMBL
324315,CC1CCC(O)C(=O)NC2C1C2S(N)(=O)=O,0,GDB ChEMBL
9885,[NH3+]CCC1NS(=O)(=O)CC([NH3+])C(CO)C1O,0,GDB ChEMBL
146008,CC(O)C(=O)NC(C)C1(C)COCC(=N)OC1,1,GDB ChEMBL
151823,CCC1C(C(O)C(N)=[NH2+])C(CC[NH2+]C)C[NH+]1C,0,GDB ChEMBL
328945,CCC[NH2+]C1(CCO)CC2CCC1C2,1,GDB ChEMBL
23500,CCOCC1C2CC=C(C)C21,1,GDB ChEMBL
261218,CN(C)C(COS(=O)(=O)N1CC1)C(N)=O,0,GDB ChEMBL
383730,[NH3+]CC12CC1C1CNC(=O)C2[NH2+]1,0,GDB ChEMBL
292203,CCCCCCC1CCC2C1C(C)CC2(C)C,1,GDB ChEMBL
202531,COc1ncnc(C#N)c1NC(C)=N,1,GDB ChEMBL
258231,CC1CC(CC(=O)[O-])C2CC2[NH2+]1,0,GDB ChEMBL
214409,CCCc1ccc(C2NCC(=O)NC2CC)[nH]1,0,GDB ChEMBL
180015,CCC(C)C1(CC)C[NH+]2CC1CC2C1CC1,0,GDB ChEMBL
75434,CNC(N)=[NH+]c1ncc(COC(N)=O)s1,0,GDB ChEMBL
284890,CC[NH2+]CC=CC(C)C=C(C)CO,0,GDB ChEMBL
302438,NC1C([NH3+])C12NC(C[NH3+])C(O)C2C(=O)[O-],0,GDB ChEMBL
351186,CCC(O)C([NH3+])C1C([NH3+])C1(CO)C(=O)[O-],0,GDB ChEMBL
40361,[NH3+]CC(O)C(=O)NCC(=O)NC1=NCCCO1,1,GDB ChEMBL
338863,CC1Cc2c(F)ccc3c2C2C(C3)C12,0,GDB ChEMBL
119915,CN1CCCC(N2CC2)CC1=O,1,GDB ChEMBL
173707,O=C1NC2CC(N1)C1OC2CC1O,0,GDB ChEMBL
288494,CC1(OCC(N)=O)C([NH3+])C1C[NH3+],0,GDB ChEMBL
77055,CCC1=CC2CC[NH2+]C1CC2,0,GDB ChEMBL
39940,COC(CC([NH3+])C(=O)[O-])C1(O)CC1(N)C[NH3+],0,GDB ChEMBL
376046,CC1=CC([NH3+])CCC(N)C(C)[NH+](C)CC1,0,GDB ChEMBL
139817,[NH3+]C1C[NH2+]C2C(CCOc3ccccn3)C12,0,GDB ChEMBL
289257,C#CC(C#N)C(C)[NH3+],1,GDB ChEMBL
312542,CCC1CCC([NH3+])C2(CC2)C1,0,GDB ChEMBL
191364,CCC[NH2+]CC(OC(C)=O)C(C)=O,0,GDB ChEMBL
398960,CC(CO)Nc1cc(NCCO)nnn1,0,GDB ChEMBL
206815,CCC1CNC(=O)C(C(N)=O)C(=O)[C-](C=O)[NH2+]1,0,GDB ChEMBL
265543,COC(C)CN1CC12CC=CC2,1,GDB ChEMBL
276102,CC(CC#N)C(C)C1CN1C,0,GDB ChEMBL
350910,O=C1CC2CCC[NH+]=C(Nc3conc3N1)N2,0,GDB ChEMBL
190241,CCN(C=O)CC12CC=CC1C2OC,0,GDB ChEMBL
316157,NC(=O)OCCC(O)C1NC1C(O)C[NH3+],0,GDB ChEMBL
249425,NC(=O)C1CN1S(=O)(=O)C1(C(=O)[O-])CC1,0,GDB ChEMBL
366591,CCC1(C=NO)CCCNC(=O)CNC1=[NH2+],0,GDB ChEMBL
344253,C#CC[NH2+]C1CC(C(C)=NO)C1,0,GDB ChEMBL
202844,CCC1(CO)COc2ncc(N)cc2OC1C,0,GDB ChEMBL
304029,COCCn1ccc(OCCC#N)n1,1,GDB ChEMBL
377339,[NH3+]C1CCC12CCC1CN2c2ccccc21,0,GDB ChEMBL
80450,[NH3+]C1Cc2c(Cl)cc(Cl)c(O)c2C12C[NH2+]C2,0,GDB ChEMBL
22012,CN=C(N)N1C(=N)C(c2ncc[nH]2)NC1=O,1,GDB ChEMBL
262565,CC1=CC(C=O)(CCO)OC(=O)NC1=O,0,GDB ChEMBL
340462,C#CCCCC12CCC(OCC)C(C)(CC1)C2,0,GDB ChEMBL
151699,CCC(=O)C1[NH2+]CC1CC[NH+]1CCC1,0,GDB ChEMBL
39692,CC(C)CCCC1CC=CC(C)C1,1,GDB ChEMBL
223324,NC(=O)C1CNC(=O)C2C(CC3CN32)OC1,0,GDB ChEMBL
292246,CCCCC1CC2(C(C)CC)CCCC2C1C,0,GDB ChEMBL
694,Fc1ccc2c(c1)C1C3C4CCC(C4)C13C2,0,GDB ChEMBL
64622,COC(=O)C1C2C(C)C(O)(C1O)C2C#N,0,GDB ChEMBL
111871,OCCC[NH2+]CC(CNC1C[NH2+]C1)=NO,0,GDB ChEMBL
227739,CCC[NH2+]C1C(N)C(=O)N2CC12,0,GDB ChEMBL
314114,CC(=O)C1C[NH+]2CC(C2)N1,0,GDB ChEMBL
22471,CC(C1CCCCC1)[NH+]1CCC1,0,GDB ChEMBL
97097,CC1CC(C)(C)C(C#N)C1[NH3+],0,GDB ChEMBL
314106,C=CC(O)C(C)C1C2CCC[NH2+]C21,0,GDB ChEMBL
382951,CCOC1(CCO)C=C(C)C=CCC1,0,GDB ChEMBL
309661,CC[NH+]1CC(CC2CCC2)=CCC(C)(C)C1,0,GDB ChEMBL
188134,CC1CC(=O)NCC(C[NH3+])C(N)C[NH2+]1,0,GDB ChEMBL
334799,COCC12C[NH2+]C1COC(=O)CC2[NH3+],0,GDB ChEMBL
204434,CC12CC([NH3+])CC1C(C#N)COC(N)=[NH+]2,0,GDB ChEMBL
382213,CCC1(CO)C([NH3+])C1CC[NH3+],0,GDB ChEMBL
337158,CC(C)(C)C1CCc2cc(F)ccc2C1,1,GDB ChEMBL
353986,CCC(C)(CC)C(C)C1=CCCC1,0,GDB ChEMBL
348607,CCCC1CC2(C)CC(CCC(F)(F)F)C1C2,0,GDB ChEMBL
368511,COCC(CO)C1OC2CC(O)C1(C#N)C2=O,0,GDB ChEMBL
318412,CC(C)CC(C)CCC(C)N1C(C)C1C,1,GDB ChEMBL
304450,C#CC1CCOC2CCCC(COC1)[NH2+]C2,0,GDB ChEMBL
223323,C[NH2+]C(C)C12CCCCC1C(O)C2[NH3+],0,GDB ChEMBL
130637,CC(=O)NCc1nsc2sc(C(N)=O)cc12,1,GDB ChEMBL
143467,CCCC1(OC)CCC(CC)(C2CCCO2)C1,0,GDB ChEMBL
29685,CC1(C)CC(C(O)C[NH3+])=CN(CCO)C1=O,0,GDB ChEMBL
91204,Nc1n[nH]c(C(=O)[O-])c1OS(N)(=O)=O,0,GDB ChEMBL
236644,C[NH2+]CC1CC(C)C2(C#N)NC12,0,GDB ChEMBL
171338,CCC12CCCCC1CC(CCO)C2,1,GDB ChEMBL
21443,C#CC([NH3+])CC#CCCCC,1,GDB ChEMBL
21879,CCC(C)C1CC1c1ccc(C)cc1I,1,GDB ChEMBL
87106,CC(C)C(CO)CCO,1,GDB ChEMBL
71978,COCC(=O)NCC(O)(C=O)C(=O)NC(N)=O,1,GDB ChEMBL
348423,CS(=O)(=O)C(C=O)C[NH2+]CCO,0,GDB ChEMBL
309797,C#CCC(O)CC(C#C)C1CCCC1C(C)C,0,GDB ChEMBL
149293,C#CC(O)C1CC(C=O)OCCN1C,1,GDB ChEMBL
384298,C[NH2+]C1(CC2CCOC2)C(N)C1O,0,GDB ChEMBL
24277,CNc1cc(CC#N)ccc1I,1,GDB ChEMBL
26797,CCC(=O)NC1CC=CC1,1,GDB ChEMBL
255535,CC1C(CC(=O)[O-])NC(=O)C(=NO)C1O,0,GDB ChEMBL
290101,CC(C)(CC1(C#N)CN=CN1)C(N)=O,0,GDB ChEMBL
244445,CC(C#N)COC(=O)N(C=O)CCO,1,GDB ChEMBL
300200,CCCOC=NCCC(CC)C(C)O,0,GDB ChEMBL
67333,CN=C1NC(=O)C(C(C)O)N1,0,GDB ChEMBL
209480,CC1C[NH2+]CC2C3CCC[NH2+]C1C32,0,GDB ChEMBL
353975,Cc1cc(C)c(CC2CO2)cn1,1,GDB ChEMBL
373992,C#CC1(O)CN(CCCC)C=NC1C#N,0,GDB ChEMBL
236733,CCc1cc(C2CC3C(C)C3C2)ccc1I,1,GDB ChEMBL
382563,CC(C)C1CC2CCC1CC21CO1,0,GDB ChEMBL
325713,CCC[NH+]1CC=CC(C)C(C)C2(C)CC12,0,GDB ChEMBL
375159,Cc1ncc(C#N)c(N)c1C(=O)[O-],0,GDB ChEMBL
130357,N=C1NC(=O)OC2CCC1C([NH3+])(CO)C2,0,GDB ChEMBL
363823,CCC1=CCC[NH+](CC#CC(C)C)C1,0,GDB ChEMBL
25153,CC1C2[NH2+]CC(C3CC=CCC32)N1C,0,GDB ChEMBL
207958,C#CC1(C)CC1(C)Cc1ccc(C)c(Cl)c1,1,GDB ChEMBL
334113,C[NH2+]CC1(C)C(C)CCCC12CO2,0,GDB ChEMBL
310793,CNc1cc(Cl)c(C(C)[NH2+]C)c(Cl)c1,0,GDB ChEMBL
116367,CC[NH2+]Cc1c(CC)ccc2c1C(C)(O)CC2,0,GDB ChEMBL
269205,[NH3+]CC1OCCC([NH3+])C2CCC(O)C3C1C23,0,GDB ChEMBL
72010,Cc1nc(N)cc(C#N)c1-n1ccc(CO)n1,1,GDB ChEMBL
322850,NC(=[NH2+])NCC12OC(=O)CC1NC(=O)C2O,0,GDB ChEMBL
255361,c1nc(C2CC2)cc2c1CCOC2,1,GDB ChEMBL
66741,COC1OC(C(N)=O)C2C1N2S(C)(=O)=O,0,GDB ChEMBL
294470,NC(=O)C1=NC2COC(=O)C2C(O)C(CO)N1,0,GDB ChEMBL
214908,CC1NCC(=O)OCC(C)(C=O)C1(O)C(N)=O,0,GDB ChEMBL
379876,NC(=O)C1Nc2n[nH]cc2C1O,0,GDB ChEMBL
255327,COCC(O)C1(C)CC(CC#N)CO1,0,GDB ChEMBL
147979,NCC1CCC(=[NH2+])N1,0,GDB ChEMBL
336049,C#CC[NH2+]CCNC(=O)N(C)c1cc[nH]c1,0,GDB ChEMBL
61322,CCCC(OC)C12CCC[NH2+]C1CC2,0,GDB ChEMBL
223286,CCCC1(C)CC(CCCC(C)C)=CC1C,0,GDB ChEMBL
235637,CC#CCN1CC1C,1,GDB ChEMBL
173699,NC(=O)CS(=O)(=O)NC1CCC1O,1,GDB ChEMBL
288131,CCC(C(C)C)C1C2CC2CCC1(C)C,0,GDB ChEMBL
367602,CCC(C)C1COCC12CCCC(C)CCC2,0,GDB ChEMBL
316485,CN(C(=O)CO)C1C2C(=O)OC(=N)C21N,0,GDB ChEMBL
204573,C#CC1(CCC(C)O)CCC(C[NH2+]C)O1,0,GDB ChEMBL
374371,Cc1n[nH]cc1CC1OCCC1(C)C(=O)C#N,0,GDB ChEMBL
283412,NC(=O)NC1C(O)C2[NH2+]CCC12,0,GDB ChEMBL
338107,NC(=[NH2+])C(COC(N)=O)C(C[NH3+])CO,0,GDB ChEMBL
341188,C#Cc1c(C)cc(N)cc1C#CC,1,GDB ChEMBL
206817,CCc1ccc(F)cc1N(C=O)CCC(N)=[NH2+],0,GDB ChEMBL
125571,CCC1CN(C=O)C(=NC)N1,1,GDB ChEMBL
326462,CC1(C)C2CCC3CC(CC3C(=O)[O-])C21,0,GDB ChEMBL
22570,[NH3+]C1CC2CC1C1OC(=O)CC21,0,GDB ChEMBL
115569,CC1C=CCc2cccc(c2Br)C#CC1,1,GDB ChEMBL
189854,COC(=O)C1C([NH3+])C2CC2C1(O)CO,0,GDB ChEMBL
378102,C[NH2+]CCCC1COC2C(=O)C1C2C,0,GDB ChEMBL
385937,CC1(C([NH3+])CCC[NH3+])CC(CO)CC(C#N)O1,0,GDB ChEMBL
368550,CCC1CC(C(COC)C(N)C#N)C1,1,GDB ChEMBL
346497,Cc1cc(I)c(I)cc1Cc1cccc(I)c1,1,GDB ChEMBL
47659,CC1C2C3CC[NH+]1CC(C3)C1CC12,0,GDB ChEMBL
271792,NS(=O)(=O)CCC1OC1CCCO,0,GDB ChEMBL
257471,CCC(CC)(CC1=CCCC1)CC(C)O,1,GDB ChEMBL
188468,CC1(C)C[NH2+]CC(C)(C)CC2(CC2)C1,0,GDB ChEMBL
289847,COC1OC2C(C[NH3+])C(=O)NC2C1O,0,GDB ChEMBL
116652,C[NH2+]C1CC(C(F)(F)F)C1O,0,GDB ChEMBL
175719,CNC(=O)C1OC(=O)CC1(C)NC(N)=O,0,GDB ChEMBL
190449,C#Cc1nc(F)c(O)cc1CC(=O)CC(C)C,1,GDB ChEMBL
115911,CCOC1(C2NC2C(C)(C)C)CC1,0,GDB ChEMBL
355351,COC(=O)C1C2COC1C1CC1[NH2+]2,0,GDB ChEMBL
334405,Brc1ccc2c(c1)C=CC1CCC2CC1,1,GDB ChEMBL
155189,Cc1c(N)ccc(C(C)C)c1C,1,GDB ChEMBL
201405,CCCC1CC(CC)C(CC(C)NC=O)C1C,0,GDB ChEMBL
261456,O=CC1(O)CCCCS(=O)(=O)NC1,1,GDB ChEMBL
243903,CCC1CCC=CCC(CO)C2OC1C2[NH3+],0,GDB ChEMBL
53322,CNc1ncnc(O)c1CNC(C)=O,1,GDB ChEMBL
77040,CN1CCCN(C=NCC#N)C1=O,1,GDB ChEMBL
362166,CCCC(C)(C[NH3+])n1cnc(NC)c1,0,GDB ChEMBL
142391,COCC(OC)C([NH3+])c1ncnc2c1CCC2,0,GDB ChEMBL
17562,C(#CC1CC1)C1=CCCCCC1,1,GDB ChEMBL
39967,CCc1ccc(C)c(C2=CC=CCC=C2)c1,1,GDB ChEMBL
76942,CCC1CCCN(C)C(=O)C(O)C[NH2+]1,0,GDB ChEMBL
382134,CC([NH3+])CCS(=O)(=O)N(C)C(N)=O,1,GDB ChEMBL
308736,CCC1=CC(O)CC2CC2[NH2+]C(C)C1,0,GDB ChEMBL
325251,COC1(C)C(=O)CCC1(O)CO,0,GDB ChEMBL
191515,C=CC1(C)C(C([NH3+])CCCC)N1C,0,GDB ChEMBL
191569,NC1CN(C(=O)C[NH3+])CC1[NH3+],0,GDB ChEMBL
325715,CC(=O)N(C)C(CCCC[NH3+])C(C)C[NH3+],0,GDB ChEMBL
81476,NC1C[NH2+]C(CC(O)C(=O)[O-])C1O,0,GDB ChEMBL
375714,CC12[NH2+]C(C(N)=O)C(O)C1C2O,0,GDB ChEMBL
134743,NC(N)=[NH+]C1CCC(=O)CNC1,0,GDB ChEMBL
367641,CC[NH2+]Cc1sc(C=O)nc1CO,0,GDB ChEMBL
132988,CN(C)c1cc(Cl)cc(N)n1,1,GDB ChEMBL
291520,CC1(CC(N)=O)CCOCCNC(=[NH2+])O1,0,GDB ChEMBL
186744,C[NH+]1CC2C3CC1C2CCO3,0,GDB ChEMBL
230493,CC12C=CC(C)(CC1)O2,1,GDB ChEMBL
363196,C[NH2+]CCC1CC=CC1C=C(C)C,0,GDB ChEMBL
323955,CCC[NH+]1C2C(CC)CCC1C1(CC1)C2C,0,GDB ChEMBL
345511,CCC1CCC(=O)C(CO)C(=O)CC1,0,GDB ChEMBL
398852,CNC(=O)N1CC(O)C1C#N,1,GDB ChEMBL
287049,CC1CNC2(C(O)C[NH3+])C(=O)OC(C)C12,0,GDB ChEMBL
307507,CCCc1c(Cl)c(C)c(CC)c(C)c1C(C)C,1,GDB ChEMBL
120874,C#CCC(C#C)C(C)Cc1cc(Cl)cc(Cl)c1,0,GDB ChEMBL
21730,CC(=O)NCC1OCCC1(C[NH3+])NC(C)=O,0,GDB ChEMBL
236692,C[NH2+]C1(C)CC(=O)OC1COC,0,GDB ChEMBL
174218,COC1CNC(=O)C2(O)COC12,1,GDB ChEMBL
391816,N#Cc1nncc(OCCNC=O)c1Cl,1,GDB ChEMBL
210739,CCc1cc(Br)c(C#CC2CC2)c(CC)c1,1,GDB ChEMBL
99422,C#CCC(C#C)Cc1ccn(CC)c1,0,GDB ChEMBL
346966,C#CC(C#C)(C#C)CC(C)(O)CC[NH2+]C,0,GDB ChEMBL
16718,CCC(O)(C(C)C[NH3+])C1COC(=N)NC(=O)N1,0,GDB ChEMBL
368190,COC1C[NH+](C)C2C(C(N)=[NH2+])C12,0,GDB ChEMBL
389070,CCC(C)C(C)(C[NH3+])c1cc(C[NH+](C)C)cs1,0,GDB ChEMBL
277919,CC(=O)NC(=O)NC(=O)CCNC(N)=O,1,GDB ChEMBL
279944,CCOCC1N=C(N)OC1(C#N)C(C[NH3+])CO,0,GDB ChEMBL
225014,CCCC1C(O)CC2(CO)CN12,1,GDB ChEMBL
216158,CC(C)(C)C1=CCC[NH2+]CCC(C#N)C1,0,GDB ChEMBL
13170,C#CCC(C)N1CCC1C=O,1,GDB ChEMBL
84539,Cc1nc(C(=O)n2ccnc2)oc1C,1,GDB ChEMBL
389666,CCCC1C2CC(C1[NH2+]CC=O)C(C(C)C)O2,0,GDB ChEMBL
127536,CC1=CC2Oc3c(O)cc(I)cc3CC2C1,0,GDB ChEMBL
185910,C1=CCC2[NH2+]CC=C2CCCCC1,0,GDB ChEMBL
291496,C#CCC1C2CC(OC)CC12CCC,0,GDB ChEMBL
279068,CCC1CC(=O)C=C(N)C1,1,GDB ChEMBL
112454,CCC1(C(=O)[O-])C(C2CC[NH2+]2)N1C,0,GDB ChEMBL
341144,CC1CC(CCC#N)CC1O,1,GDB ChEMBL
326431,COCC(CC(=O)C1(C)CCO1)C(=O)[O-],0,GDB ChEMBL
34331,CC1CC(C#N)NC(OC(C)C[NH3+])=N1,0,GDB ChEMBL
292974,C[NH2+]CC1OCCCOCC2([NH3+])CCC([NH3+])C12,0,GDB ChEMBL
312846,CCCCc1sc(N)nc(=N)c1C(=O)[O-],0,GDB ChEMBL
131878,C#CCC(C=CC)(CO)OCCC,1,GDB ChEMBL
133933,C[NH2+]CC1=CCCN(C(C)=O)CC12CCC2,0,GDB ChEMBL
69636,CCOCC(C)(O)CS(N)(=O)=O,1,GDB ChEMBL
246945,COC(CC=O)C(=N)NC(C)=O,1,GDB ChEMBL
358204,NC(=O)C([NH3+])C(C1CN1)C(O)C(=O)[O-],0,GDB ChEMBL
140143,CN1C=CC2CCCN2C1=O,1,GDB ChEMBL
59723,CCOCC#CCC1([NH2+]C)CCC1,0,GDB ChEMBL
303323,C#CCCc1c(C)cc(I)cc1-n1cccn1,1,GDB ChEMBL
17537,CNC(=O)C(CO)NS(=O)(=O)C1C([NH3+])C1O,0,GDB ChEMBL
173983,O=C1NCC23OCCC(O)C2S(=O)(=O)[N-]C13,0,GDB ChEMBL
249842,[NH3+]CC(O)C(C(=O)[O-])C(F)(F)F,1,GDB ChEMBL
97208,CCC(C)[NH2+]Cc1cncc(C2CC2)c1N,0,GDB ChEMBL
247602,NC(C[NH3+])C(O)COCCS(N)(=O)=O,0,GDB ChEMBL
309160,C[NH2+]CCC#CC1CC[NH+](C)C1,0,GDB ChEMBL
294217,Fc1cccc2c1C1CC=CC2C1,1,GDB ChEMBL
39987,CCCC1(C)C(=O)CC(C)=CCC2CC21,0,GDB ChEMBL
104369,CC(O)CC1(CO)CCC(C)C(=O)NC1C,0,GDB ChEMBL
384257,CC1CC1C(C)NCC#N,1,GDB ChEMBL
217165,CC(C)OC1(C2([NH3+])CCOCC2)CC1,0,GDB ChEMBL
396782,CCC([NH2+]C)C(OC)C(C)=O,0,GDB ChEMBL
32009,CC1CNC(=O)N1C1CC1,1,GDB ChEMBL
287332,COC(=O)[N-]S(=O)(=O)CC(C)O,0,GDB ChEMBL
33545,NC(=O)CN1CC2C(CO)OC3C2C31,0,GDB ChEMBL
85820,CC(NCC(N)=O)C1(C#N)CCNC(=O)O1,0,GDB ChEMBL
87097,CCC(CO)(CCC(C)(C)C)C(=O)CCC=O,1,GDB ChEMBL
287372,N#CC1C=C(C2CC2)CCC(=O)OC1,1,GDB ChEMBL
343940,CCC1CC2CC2CC1C(C)C[NH3+],0,GDB ChEMBL
104434,CCc1cc(Cl)c2c(n1)OC1CC21CC,0,GDB ChEMBL
67816,CC1C(C2CCC(=O)N2)C[NH+]1C,0,GDB ChEMBL
296361,CS(=O)(=O)[N-]C1=CCCNC(=O)C1=O,0,GDB ChEMBL
366633,Cc1ccc(Cl)nc1C1CC2CCC1C2,0,GDB ChEMBL
248245,[NH3+]CC(CC(CO)CCO)CC1CC1O,0,GDB ChEMBL
219551,Cc1scnc1Oc1c(Cl)cncc1Cl,1,GDB ChEMBL
323334,CC(O)CC12CCC([NH3+])(CC1)C2,0,GDB ChEMBL
126590,C#CC1C=CC=CCCCC1(C)CC,0,GDB ChEMBL
305124,CCNC(=[NH2+])C(=NCC([NH3+])CC(C)C)NC,0,GDB ChEMBL
359067,CCC1(C)CC=CCC1C[NH2+]C,0,GDB ChEMBL
353937,[NH3+]CC1Cc2nsnc2OCC(=O)N1,0,GDB ChEMBL
263541,NC(=O)C1OC(=O)C2(O)CC(N)C([NH3+])C12,0,GDB ChEMBL
259367,CC#CC1(CO)CC(O)C([NH3+])CC1CO,0,GDB ChEMBL
208366,CCC12CC(NC(C)=O)C(C)(C1)C(=O)N2,0,GDB ChEMBL
356555,CC[NH+](C)CCCc1cncc2c(C)ncn12,0,GDB ChEMBL
261182,N#CC(O)CN1CCC=CC1=O,1,GDB ChEMBL
109736,COc1cc(I)c(N)c(CC(C)(C)C)c1C,1,GDB ChEMBL
130815,C=C(C)C1[NH2+]CC(C[NH3+])CC1CO,0,GDB ChEMBL
85037,CCC1(C)CCCC(C)C(C)C1,1,GDB ChEMBL
263228,CCCC1CCC2C(CC)C1CC2C(C)(C)C,0,GDB ChEMBL
81790,CCC(C)CC1CC(C)=CC1CC,0,GDB ChEMBL
222598,O=C([O-])CC1(C#CC2CCCO2)C[NH2+]C1,0,GDB ChEMBL
174200,C#CCC(C1=CC[NH2+]CCCC=C1)C1CC1,0,GDB ChEMBL
216523,O=C1OCC(CCO)C2CC12,1,GDB ChEMBL
251409,COCC1OC1C(CS(N)(=O)=O)NC=O,0,GDB ChEMBL
2098,CCC(CO)OCC(C)=NO,1,GDB ChEMBL
206989,CC#CC1C=CCC2(C)CCCC[NH+]12,0,GDB ChEMBL
61498,CC(C)CC(C)c1cccc(F)c1,1,GDB ChEMBL
18948,CC1CC2CCCC2C1CCC1CCCC1,1,GDB ChEMBL
94604,NC(=O)NCC([NH3+])CC1NC1CCC[NH3+],0,GDB ChEMBL
39816,C1=CCC(OC2CCCCO2)C1,1,GDB ChEMBL
70885,C#CC[NH+](CC)C1CCC2CC21,0,GDB ChEMBL
376061,CCCC(CC[NH3+])C1(C(C)(C)C)CC[NH2+]1,0,GDB ChEMBL
136448,CC(C)NC(=[NH2+])OC(C)(C)C,1,GDB ChEMBL
191693,CC(c1cc(I)ccc1I)C1CCCC1,1,GDB ChEMBL
376681,O=C([O-])C1C2(O)C(CCO)C2NS1(=O)=O,0,GDB ChEMBL
286122,C[NH2+]CCc1cc(C)co1,1,GDB ChEMBL
351391,CCCNC(=[NH+]CC1CO1)OC,0,GDB ChEMBL
180025,CCC1CC(=O)N2CC3C1C32,0,GDB ChEMBL
382217,CC1=CC(C)CC1C1C[NH+](C)C1,0,GDB ChEMBL
2327,CC1NC(=O)C(OC(N)=[NH2+])C(O)C2(O)CC12,0,GDB ChEMBL
386499,CS(=O)(=O)N1CC2CC(C(=O)CO2)C1=O,1,GDB ChEMBL
159751,NC1=[NH+]CC(C2CC(=O)N(C=O)C2)N1,0,GDB ChEMBL
341169,Cn1cc2nc1OCCN(CC#N)CCO2,1,GDB ChEMBL
255107,C=CC[NH+]1CC2C3CC4C(C1)C4C32,0,GDB ChEMBL
280316,COCC(CO)[NH+]=C(N)C(C)(C)N(C)C,0,GDB ChEMBL
129449,CCCCNc1ccc(N)c2c(C)cc(C)n12,1,GDB ChEMBL
162553,CCC(C1COC1=O)C1[NH2+]C(C)CC1N,0,GDB ChEMBL
242945,CCCC1(COC)[NH2+]CC1(O)C=O,0,GDB ChEMBL
182523,NCC(=O)N1C(=O)C2CN2C1=O,0,GDB ChEMBL
188099,CC#CC1CC2CCC(C)N1C2C(F)(F)F,0,GDB ChEMBL
275622,NS(=O)(=O)CCCNC(=[NH2+])NCC[NH3+],0,GDB ChEMBL
47691,N=COC1(CCO)CCCN(C(N)=[NH2+])C1,0,GDB ChEMBL
44361,CN=C(N)N(C=O)C(CCO)c1ccon1,0,GDB ChEMBL
291929,CCc1cc(Cl)c(Cl)c2c1C1CC1COC2,1,GDB ChEMBL
142936,CC(C)C(CCO)[NH+]1CCCC1C,1,GDB ChEMBL
83032,COCC(C[NH3+])CNC(=O)N(C)C=O,0,GDB ChEMBL
304035,CN1CC(N)CCC1=[NH2+],0,GDB ChEMBL
70999,C=C1CC(C)C2C1C=CCC[NH+]2C,0,GDB ChEMBL
78622,CC#CC1CC2CC[NH+](CCC2O)C1,0,GDB ChEMBL
133995,CCc1nonc1N(C)CCS(N)(=O)=O,1,GDB ChEMBL
162492,CC1(CC[NH+]=C(N)N)CCN(CCO)C(=O)C1,0,GDB ChEMBL
130349,CC1CC(CC(=O)[O-])[NH2+]CC(C=O)N1,0,GDB ChEMBL
195194,CCCCc1cc(C[NH3+])c2cc(F)ccc2c1,0,GDB ChEMBL
255079,CC(=CC(C)C)C[NH2+]CCN(C)C,0,GDB ChEMBL
247559,CC1CCC[NH+](C)C(CCO)C1,0,GDB ChEMBL
377790,CNc1[nH]nc2c1CC(=O)NCCNS2(=O)=O,0,GDB ChEMBL
156782,N#CC1(N)C2C(=O)OC(CO)C21,0,GDB ChEMBL
190529,CC1=CCCC12CC1(CC[NH2+]CC1)C[NH+]2C,0,GDB ChEMBL
77353,CC1NC(=O)CN=C(N)N(C(=N)C(=O)[O-])C1=O,0,GDB ChEMBL
354330,COC1C(=O)NC2(C)C3C([NH3+])CC(O)C132,0,GDB ChEMBL
4940,CCC1COCCC2C(O)C2C1,0,GDB ChEMBL
284334,CCCC1(O)CC(C)C2CC1OC2CO,0,GDB ChEMBL
273964,NC(C[NH3+])C(CC(=O)[O-])c1cnn[nH]1,0,GDB ChEMBL
50958,CC(=O)CC1(C(C)CC(C)C)CC1,1,GDB ChEMBL
302483,COCC1(CO)CC(C(C)=O)=C(N)C(=O)O1,0,GDB ChEMBL
176445,CCOC(C)C1(CC)CCC2CC(C)CCC21,0,GDB ChEMBL
9928,C#CC(O)(C[NH3+])C1CC(C)(C)CC(O)C1[NH2+]C,0,GDB ChEMBL
286165,CCCC(C)CCC1CCC(C)(C)CC1(C)C,1,GDB ChEMBL
315169,CC1C[C-](C#N)C(=O)C(C(C)O)NC=[NH+]1,0,GDB ChEMBL
162541,CN=CN(C(=O)NCCOC)C(C)=NCC=O,0,GDB ChEMBL
354823,CN1CC2(C[NH3+])CC2(C)C1=O,0,GDB ChEMBL
11745,C#CCC1CC(C)CC2C[NH+](CC)CC2(O)C1,0,GDB ChEMBL
130857,CC(=[NH2+])NC1CC(=O)N(C)CC1N,0,GDB ChEMBL
251466,N#CCC(=O)CN1C(=O)C(CO)C2CC1CO2,0,GDB ChEMBL
288149,C#CCN=C(C)N1CC=CC=C(C#N)C1=O,0,GDB ChEMBL
86718,C#CC1(CC)C(CC)C1C(C)n1ccnc1,0,GDB ChEMBL
248201,CC1OC2OC(CO)CNC2C1O,1,GDB ChEMBL
353556,OC1CC2CC3OCC2C[NH2+]C13,0,GDB ChEMBL
98613,CC1(C)CCC(C[NH3+])C(NCC#N)=[NH+]1,0,GDB ChEMBL
312209,CC1=CC2C(C)c3cc(Cl)cc4c3C2C1C4,0,GDB ChEMBL
330139,O=C1C(CCCO)=CC2COCC(CO)N12,0,GDB ChEMBL
311675,CCC1C(=O)C(C)[NH+]2CCCC1C(C(C)C)C2,0,GDB ChEMBL
124830,CCc1ccc(COC(C)C[NH3+])c(CC)c1C,0,GDB ChEMBL
172768,C#CC(C)(C#C)Cc1cc(C)c(C)c(C[NH3+])c1,0,GDB ChEMBL
204593,COC(=O)c1cc(N2CC2)cc(I)c1OC,1,GDB ChEMBL
9897,C=CCCCC#CC#CCC(C)C,1,GDB ChEMBL
356832,C#CC1CCC2C[NH2+]C(CO)C2C1(C)CCC,0,GDB ChEMBL
261328,CN1CC([NH2+]CCc2cncs2)CC1=O,0,GDB ChEMBL
225863,COC(C)C1CC2C([NH3+])CC1N2S(C)(=O)=O,0,GDB ChEMBL
387269,CNC(=O)C1C(=O)N(C)CC1C,1,GDB ChEMBL
290558,CC(=N)NC(=O)C(C)C1CCC(=[NH2+])N1C,0,GDB ChEMBL
112877,CCC[NH2+]CCCC(CO)CC(C)O,0,GDB ChEMBL
81514,[NH3+]C1C2CCC1OC(=O)C(CO)N(C=O)C2,0,GDB ChEMBL
8657,CC(O)CC[NH+]=C(N)N(C)C(=[NH2+])CCCC=O,0,GDB ChEMBL
170285,COC(C)C1CCC(C=O)NC=[NH+]1,0,GDB ChEMBL
399014,O=C1NCCC(CS(=O)(=O)[O-])C1O,0,GDB ChEMBL
252850,CC([NH3+])C1OC(=O)C(=O)NCC(O)C1O,0,GDB ChEMBL
118431,CNC(=[NH2+])N(C)C(=O)CC1CN1C,0,GDB ChEMBL
234478,COCC1C(=O)C(C(N)=[NH2+])NC(C(=O)[O-])C1O,0,GDB ChEMBL
389441,CC1CC23CNC(=O)C2C(C)(C(C)C)CC3[NH2+]1,0,GDB ChEMBL
201049,COCc1ccc(C)nc2[nH]c(C)cn2cc1,0,GDB ChEMBL
198626,CC1C=C(CO)C2C[NH2+]C(C1)C2=O,0,GDB ChEMBL
349665,CC1CCC2(C)C3CCC1C2C[NH2+]3,0,GDB ChEMBL
97788,COC(=O)CC1[NH2+]CC2C(=NO)C=CC12O,0,GDB ChEMBL
95567,C#CC(O)C(CCC)N1CC1C,0,GDB ChEMBL
127207,CC1Cc2c(N)cc(Cl)c3c2C(CC3)C1,1,GDB ChEMBL
291469,CC1CC2[NH2+]C3CN(C)C2C13O,0,GDB ChEMBL
144603,CNC(CCO)=[NH+]C(CN)(C(=N)OC)C(=O)[O-],0,GDB ChEMBL
77315,CCCc1ccc(CCC(C)(C)O)c(Br)c1,1,GDB ChEMBL
208446,CC#CC1C=CC=CCCCC1CO,0,GDB ChEMBL
166458,C[NH2+]CCOC1CCC(C(N)(C#N)CO)C1[NH3+],0,GDB ChEMBL
382499,c1nncc(NCC2CC3CN2C3)n1,1,GDB ChEMBL
34763,C[NH2+]CC(=O)NC(=O)NC=O,1,GDB ChEMBL
397043,Cc1cc(NC=O)c(C2CC2)nc1C(C)C,1,GDB ChEMBL
280006,CC1(C)C2CCC1C1CCC=CCC12,0,GDB ChEMBL
130463,Cc1ccc2n1CCN2CC#N,1,GDB ChEMBL
160854,CC(O)C1C2OC(N)=NC2C2CNCC(=O)N21,0,GDB ChEMBL
294241,CC1CC(O)C([NH3+])C1NC=O,0,GDB ChEMBL
93435,CCS(=O)(=O)c1nsnc1C(=O)OC,1,GDB ChEMBL
18674,N=C1NC(=O)C2C(O)C(O)C2C(C(N)=O)N1,0,GDB ChEMBL
156002,C#CCC(=O)c1cc2cc(C)c(Cl)cn2c1,1,GDB ChEMBL
148775,CCn1nnc2nc(C)c(F)c([N+](=O)[O-])c21,1,GDB ChEMBL
377981,Fc1ccc(CC23CCC(CC2)CC3)cc1,1,GDB ChEMBL
227923,C[NH2+]CC(C)c1ccn(CCC[NH+]=C(C)N)n1,0,GDB ChEMBL
215666,CCC1=CC(O)C(C)C1CO,0,GDB ChEMBL
351356,CC1CNC(C(NC(N)=[NH2+])C(=O)[O-])CO1,0,GDB ChEMBL
152069,CC1=CCC2CC(C)C(C)CC2CC1,0,GDB ChEMBL
384233,CCOC(=N)Cc1c(O)cc(Br)cc1Br,1,GDB ChEMBL
174694,Fc1nccc2c1Cc1cnccc1CC2,1,GDB ChEMBL
143804,CC1=CC(C[NH+]2CCC2)COC1,0,GDB ChEMBL
83519,C[NH2+]CC12CC(C(C)(C)O)C(CC#N)N1C2,0,GDB ChEMBL
383930,CC(=O)CC1(C#N)CC(C)C1,1,GDB ChEMBL
70967,Cc1cc(Cl)ncc1C12CCCCC1CCC2,0,GDB ChEMBL
106588,CCCC(CO)C1(O)C[NH2+]C1,1,GDB ChEMBL
221405,Cc1c(N)c(O)c(Cl)c(C[NH3+])c1CC(C)(C)[NH3+],0,GDB ChEMBL
200987,CCC12COC(C=C(C)C1)C(O)C2C[NH3+],0,GDB ChEMBL
89139,COC(=O)N1C(=O)CNS(=O)(=O)C1C,0,GDB ChEMBL
300427,C#CCC(N)C1(C#N)CCC(CCC)C(C)N1,0,GDB ChEMBL
363134,CC(C)(C)CC1CCC2(C)OC2C[NH2+]1,0,GDB ChEMBL
191263,C=CCC1=CC([NH2+]CC)C(CO)C1,0,GDB ChEMBL
48526,CCOC(C)C1(CC)CC(C)C1,1,GDB ChEMBL
273639,C[NH2+]CCC([NH3+])C1C(C)N2CC1(C)C2,0,GDB ChEMBL
349980,CCNC(=O)CC(=NO)C(C)=CC#N,1,GDB ChEMBL
259666,CCc1c(CC(C)(C)C)cc(F)c(C)c1CC,1,GDB ChEMBL
261440,C#CCCc1cc(C(C)(C)CC)cc(C)c1F,1,GDB ChEMBL
324288,COC(C)C(C[NH3+])C1CCC1,0,GDB ChEMBL
99588,CCCCC(CCC)C1CC2CC2O1,1,GDB ChEMBL
180981,CCCC(CC[NH3+])NC=O,0,GDB ChEMBL
249638,CC1(C(N)=[NH+]CC(=O)[O-])NCC([NH3+])C1C[NH3+],0,GDB ChEMBL
143475,CCCCC1(CCC2(CC)CC2)CC=CC1,0,GDB ChEMBL
181554,CC1CC2C=CC(CO)C2[NH2+]1,0,GDB ChEMBL
254228,CCC(=O)NC1C(C=O)OCC2CC(C)C1[NH2+]2,0,GDB ChEMBL
26316,C#CC1COC(C)C12CCN(C)C2=O,0,GDB ChEMBL
156549,CN=C1OCCC(=O)NC(C)(C(C)C)C1O,0,GDB ChEMBL
263170,C[NH+]1CCC([NH3+])C2(COC2)C1,0,GDB ChEMBL
174941,CCOC(=O)N1C(=O)NC(=O)C2(O)CC1C2,1,GDB ChEMBL
383726,C=C1COCC(=O)C2(C)CCCC12,0,GDB ChEMBL
39919,CCCCN(C=O)C(=N)Nc1nc(N)n(C)n1,1,GDB ChEMBL
246404,Cc1cc(F)c2c(c1F)C1CC1C(C)C2,1,GDB ChEMBL
318153,C[NH2+]C1C(N)C1CC1OC1C(=O)[O-],0,GDB ChEMBL
228767,C=CC(C)C(C)(C)CCCC#CC,1,GDB ChEMBL
147963,CCc1cc(N)c(F)c(C2(C)CC2(C)C)c1,0,GDB ChEMBL
305804,CCCC1C([NH3+])C2CC(O)CC12,0,GDB ChEMBL
151811,CCC(=O)C1C2[NH2+]CCCC21O,0,GDB ChEMBL
351317,CC([NH3+])CN=C(N)N1C(=O)OC(CO)OC1=O,0,GDB ChEMBL
280592,NCC12CC1CC(CO)[NH2+]2,0,GDB ChEMBL
114819,CNC(=O)NC(N)=NCc1ncnn1C,1,GDB ChEMBL
100740,O=CC1[NH2+]CCC1CC(=O)[O-],1,GDB ChEMBL
208579,CC(=O)OCC(O)C(O)C(C)=O,1,GDB ChEMBL
53730,CCC[NH2+]CC(CC)NS(=O)(=O)CC(N)=O,0,GDB ChEMBL
86737,NCC(=O)N(C(N)=O)C(C[NH3+])C[NH3+],0,GDB ChEMBL
146074,CC(CO)N(C)C(=O)C(O)(C(C)O)C([NH3+])CO,0,GDB ChEMBL
263983,CC1(CC[NH+]2CC=CC2)CO1,0,GDB ChEMBL
215399,Cc1c(NCC(C)CCCO)nnn1C(N)=O,0,GDB ChEMBL
277808,CNC(=O)OCc1nccnc1C,1,GDB ChEMBL
358848,CC1COC(COC=O)CCC[NH+]1C,0,GDB ChEMBL
99608,CCN=C(NC(N)=O)c1cocn1,0,GDB ChEMBL
89128,C#CCC([NH3+])c1cccc(CCCC)cc1=O,0,GDB ChEMBL
81409,CCC1([NH2+]C)CCC[NH+]2CCC1(C)C2,0,GDB ChEMBL
34883,CC1CC(C)(C)C(C)C2CCCCC12,0,GDB ChEMBL
218594,CNC(=O)Oc1c(O)nc(N)n1S(C)(=O)=O,1,GDB ChEMBL
203317,CC(C)Oc1ccc2c(c1O)C(C[NH3+])OC2C,0,GDB ChEMBL
345814,CCC12CC1C([NH3+])C1Cc3cnccc3C12,0,GDB ChEMBL
42589,CC[NH2+]C1(C(C)C)C2CC=CCC21,0,GDB ChEMBL
201992,CCC1=[NH+]C(C)C(=O)CN1C,0,GDB ChEMBL
153255,NC1=NC(C(O)C(=O)[O-])COC(=[NH2+])NCCO1,0,GDB ChEMBL
53863,CC(C)(O)CCC(N)=[NH+]CC(C[NH3+])CC[NH3+],0,GDB ChEMBL
344365,CCCCC1C2C=CC(C)CC1CC2,0,GDB ChEMBL
361778,CC1CC2CC3C[NH2+]CC3CC(C2)C(C)(O)C1,0,GDB ChEMBL
66660,CCC(C)CN1CCCS(=O)(=O)COCC1,0,GDB ChEMBL
97782,Cn1cnc2c(I)c(O)ccc2cnc(N)c1,0,GDB ChEMBL
127741,CNC1C(=NO)CN(C(N)=[NH2+])C(CO)C1O,0,GDB ChEMBL
176392,CN(C)C(=O)NC(=O)OCCNC=[NH+]CC=O,0,GDB ChEMBL
163432,N#Cc1cccc(OC=N)c1N,1,GDB ChEMBL
316415,Cc1cc(N)cc(CC2CCO2)c1Cl,1,GDB ChEMBL
303879,Cc1cc(N)c(CC[NH3+])c(O)cncc(N)n1,0,GDB ChEMBL
120843,CC1CC23CC1C[NH+](C)C2C3,0,GDB ChEMBL
109625,CCCNc1cc(C)c(F)c(F)c1F,1,GDB ChEMBL
358949,CCC1(CN(C)C(=O)NC)CC1(C)CC#N,0,GDB ChEMBL
101947,C[NH2+]C(CCC1CCC2CCC1C2)C(C)C,0,GDB ChEMBL
372156,CC(C)CC1NCC(C[NH3+])NC1CC#N,0,GDB ChEMBL
379908,NC(=[NH2+])C(N)C1(C(=O)[O-])CCO1,0,GDB ChEMBL
397931,C#CCC(C)C(C(C)C)C1(C(C)CC)CC1,0,GDB ChEMBL
258693,CC#CCCCC(C(C)C)C(C)C(C)C,1,GDB ChEMBL
40936,CCCCCCCC1=CC=CC1C,0,GDB ChEMBL
175701,C[NH+]1CC=C(C2CCCC2)C1,0,GDB ChEMBL
279964,C=C1CCC2C3C[NH+](C)C2C(C)C13,0,GDB ChEMBL
169091,C[NH2+]CC12CNC(C(=O)N1)C(O)C2C(N)C#N,0,GDB ChEMBL
159712,N#CCCNC=[NH+]C1COC1=O,0,GDB ChEMBL
319784,C#CCC(CC)C(C)CC(CC)CC(C)C,0,GDB ChEMBL
242974,COC(CC(O)C[NH3+])C1(C(C)[NH3+])CO1,0,GDB ChEMBL
267909,CC1CC(C(CO)CC(C)[NH2+]CCO)C1,0,GDB ChEMBL
276090,COC(C(C)OS(N)(=O)=O)C(O)C(C)[NH3+],0,GDB ChEMBL
85063,CCC(C)(C#CC#N)CCCCCC(C)C,0,GDB ChEMBL
202041,CCC([NH3+])CN1C(=[NH2+])CC(CC#N)CC1(C)C,0,GDB ChEMBL
358593,CC1C(O)C2C(C[NH+]2C)C(C)(CO)C1O,0,GDB ChEMBL
310786,CCC1C(c2ncco2)N1CC#N,0,GDB ChEMBL
118124,CCCOCC1C=C2CCC=C2CC1,0,GDB ChEMBL
278888,CCn1ccc(C)cccc2c1CC(C=O)C2,0,GDB ChEMBL
255506,CN1CC(OCC2CC2)OC(=O)C1C=N[O-],0,GDB ChEMBL
377914,CC1CCCC(C[NH3+])C2C(O)C12,0,GDB ChEMBL
176444,C#CCc1c(C)cccc1C1(C)CC1,1,GDB ChEMBL
257555,C#CC(C(C)C)N(C(N)=O)C(=O)CC(C)C,1,GDB ChEMBL
113577,CC1=CC(C)(CCS(N)(=O)=O)C(O)C1O,0,GDB ChEMBL
216611,CC([NH3+])C1CC2C(O)CC(NC=O)C[NH+]2C1,0,GDB ChEMBL
33861,N=C1NC(=O)CC(C[NH3+])N1CCCO,0,GDB ChEMBL
380586,CNC1(C)C[NH2+]CCC1[NH3+],0,GDB ChEMBL
197019,CC(O)C(OC(N)=[NH2+])C(O)C(=O)CCO,0,GDB ChEMBL
200553,C[NH+](C)C1CC2(CCCCC1(C)C)CC2,0,GDB ChEMBL
283974,CC12C(C(=O)[O-])[NH2+]CC(C1CO)S2(=O)=O,0,GDB ChEMBL
159836,CC1=CC(CO)C(C)(C)C(C)C1,1,GDB ChEMBL
298084,CCCCC1(C[NH3+])[NH2+]CCC1C(=O)[O-],0,GDB ChEMBL
333928,NS(=O)(=O)COCCNC1CCC[NH2+]C1,0,GDB ChEMBL
9683,COC1(C=O)C=Cc2cc(Br)ccc2C1,1,GDB ChEMBL
318527,N#CCC1OC(=O)C1NCCO,0,GDB ChEMBL
391473,CC(=O)N1C(=N)CC(C)C=CC#CC1CO,0,GDB ChEMBL
304351,CCC1(C(=O)N2CC(=O)CC2=O)CO1,1,GDB ChEMBL
100734,CCCC1C2CC=CCC1C(C)CC2,0,GDB ChEMBL
157471,C#CCCC1C(CC)CC(C)=CCC1(C)C,0,GDB ChEMBL
354037,CCCC(=O)NC(=N)CC1CCC(=O)C(=O)N1,1,GDB ChEMBL
203147,C[NH+](CC(=O)[O-])C1(CO)CC=CC1C#N,0,GDB ChEMBL
160873,NC(=O)C1C(N)C(O)C([NH3+])C1O,0,GDB ChEMBL
255513,CC1CC2COCC1(C)C(C)C2,0,GDB ChEMBL
31095,C[NH+]1CC2CC([NH3+])CC(=O)NCC1(CN)C2,0,GDB ChEMBL
26942,COCC1C([NH3+])CCC1C1CC=CC1C#N,0,GDB ChEMBL
47805,NC(=O)C=CCNC(=O)CS(N)(=O)=O,1,GDB ChEMBL
166407,C#CC1NC(=O)C2NC1(CO)C([NH3+])CC2C[NH3+],0,GDB ChEMBL
277852,CC1(C[NH3+])CC(=O)NC2(C1)C(N)C2C#N,0,GDB ChEMBL
156120,C[NH2+]C1CCOC2CC1C=CC2O,0,GDB ChEMBL
227902,CCCCC(C)(C#N)n1ccc2ccn(C)c21,0,GDB ChEMBL
184526,CC12CCC3c4c(Cl)cc(Cl)cc4N(C1)C32,0,GDB ChEMBL
127502,C#CC1CCc2c(I)ccc(NC)c2C1CC,0,GDB ChEMBL
398760,CCC1CCCNC=C1C(=O)[O-],0,GDB ChEMBL
383973,CC([NH3+])CCC(C)OC(C)C[NH3+],0,GDB ChEMBL
302418,CC#CCC(C#N)(CO)Cc1ccon1,1,GDB ChEMBL
296037,C=CCN1CC2OCCC2C1C=O,0,GDB ChEMBL
275643,CCC(C)CCC1CCC(CC)CC1C(C)C,1,GDB ChEMBL
20528,C#CC1(O)CCC(C(CN)[NH2+]C)C1(C)C,0,GDB ChEMBL
133154,CN1CCc2nc(Cl)ccc21,1,GDB ChEMBL
206796,[NH3+]CC1OC1(CCC1CC1)C(=O)[O-],1,GDB ChEMBL
387279,CCCC(=O)OC1C(C=O)C(=O)CC1(C)C,1,GDB ChEMBL
150517,CCC12[NH2+]C(CC1C)C(CNCC[NH3+])CC2O,0,GDB ChEMBL
124555,COC1(C)CC2C(C)=CCC2(CC(C)C)C1,0,GDB ChEMBL
338608,COC1CCC=C(CS(=O)(=O)[O-])C1C,0,GDB ChEMBL
200702,O=C1CCS(=O)(=O)CCN=CN1,1,GDB ChEMBL
385451,CCCC#CC(=O)CCC[NH+](C)CC,1,GDB ChEMBL
299984,C[NH2+]CC(C#N)C(O)COS(N)(=O)=O,0,GDB ChEMBL
116594,CC1OC2C(CC3CCC3)OC(=O)C2C1C,0,GDB ChEMBL
47988,CC12C3C=CCC1C2c1c(Br)cccc13,0,GDB ChEMBL
87153,CC1CCC(C)(CC(CC#N)CCCO)C1C,0,GDB ChEMBL
133011,CC1[NH+](C)CCC1(C)CCC(F)(F)F,0,GDB ChEMBL
362038,CC1(C(C)(C)C2C3CCC2CC3)CCCCC1,0,GDB ChEMBL
209856,CC(C)C(=O)NC1CCC1([NH3+])C(C)(O)CO,0,GDB ChEMBL
218823,CNC(=O)NC1(C)C(=[NH2+])NCC(O)CNC1=O,0,GDB ChEMBL
32048,CCC([NH3+])CC1CC2([NH3+])C(O)CCC2N1CC,0,GDB ChEMBL
171900,CCC(C)(C(=O)[O-])C([NH3+])CN,1,GDB ChEMBL
201429,CC(N)C(=O)OCc1ccc[nH]c1=O,1,GDB ChEMBL
255961,CC(O)C[NH2+]C(CO)C1(C)CC=CC1=NO,0,GDB ChEMBL
221925,CCCC(CC[NH3+])C1(OC(N)=O)CCC([NH3+])C1,0,GDB ChEMBL
347981,NC(=O)OCC1OC(=O)C(N)C1O,1,GDB ChEMBL
254995,C[NH2+]C12C(C)CCS(=O)(=O)NCC1C2N,0,GDB ChEMBL
61809,CCCC(NC=O)C1C(C)C1[NH3+],0,GDB ChEMBL
109537,Cc1cc(F)c2c(c1)C(=O)CN(C=[NH2+])C2,1,GDB ChEMBL
203186,CCNC1(C#N)CCN(CC[NH2+]C)CCC1=O,1,GDB ChEMBL
334776,COC1CC[NH2+]C2CC2C(O)C1[NH3+],0,GDB ChEMBL
177890,CCCC1[NH+](C)CCN(C)CC12CC(C)C2,0,GDB ChEMBL
13152,C[NH+](C)C(C#CCC(N)=[NH2+])CO,0,GDB ChEMBL
337067,C[NH2+]C(C)(CC[NH+](C)C)CN(C)C(C)=O,0,GDB ChEMBL
152600,C[NH2+]C(CC(=O)[O-])c1csc(Br)cc1=N,0,GDB ChEMBL
318764,CC(O)C(C=O)C(=O)NC(=N)N,1,GDB ChEMBL
181127,C[NH+](CCO)CC(O)(C=O)C1CO1,0,GDB ChEMBL
194499,[NH3+]CCC1CC=CCC(O)C2[NH2+]C12,0,GDB ChEMBL
305544,CCNC1=[NH+]C(C=CCO)C(C)C1,0,GDB ChEMBL
47409,CCC1(C#N)CCCC(C)C1,1,GDB ChEMBL
244311,CS(=O)(=O)N1CC(=O)C2C(O)C=CNC(=O)C21,0,GDB ChEMBL
368212,Cc1c(I)n2ncnc2c2ccc(=O)n(C)c12,1,GDB ChEMBL
77778,CCC(C)C12CC(=O)C(N1)c1nccc(Cl)c12,0,GDB ChEMBL
257423,CCCC(CC)C(C)(COC)CC(F)(F)F,0,GDB ChEMBL
133346,COC1CC(=[NH2+])N2C(C(N)=O)C12,0,GDB ChEMBL
201485,O=C1CC([NH+]2CC=CC(O)CC2)CO1,0,GDB ChEMBL
179268,CCCC(C#N)C1CC(C[NH3+])C2CC1CC2C,0,GDB ChEMBL
251427,NC(=[NH2+])NC1CN=C2OC(=O)C(O)C21,0,GDB ChEMBL
75040,CCCOc1c2[nH]cnc2cn1C(C)CCC,0,GDB ChEMBL
333112,C#CC(CO)[NH2+]CC(C)OC1C[NH2+]C1,0,GDB ChEMBL
204843,CCCc1nnc(CC([NH3+])CO)cc1F,0,GDB ChEMBL
126338,N=COC(=O)C(N)CNC(=N)NC(=O)CO,1,GDB ChEMBL
40308,CNC(=[NH+]CC#N)C1CC1,0,GDB ChEMBL
140271,Cc1csc(CC2COC2=O)c1,1,GDB ChEMBL
273983,[NH3+]CCOCC1C2NC(=O)C1([NH3+])C2O,0,GDB ChEMBL
147378,CCC1C[NH+]2CC(O)CC1([NH2+]C)C2,0,GDB ChEMBL
39995,CC1C2C=CCC1(C)CC2C([NH3+])C(N)=O,0,GDB ChEMBL
384857,CC1=NC(C=O)CCCCO1,1,GDB ChEMBL
40426,CC[NH+]1CC2CC(C)CC(C)(C1)C2C(F)(F)F,0,GDB ChEMBL
77763,N=C1NC(=[NH2+])NC(=N)C1OCCC(O)CC[NH3+],0,GDB ChEMBL
265303,CN=c1sc(C(=O)[O-])c(COC)n1C,0,GDB ChEMBL
59566,C#Cc1c(C)ccc2c1C([NH2+]C)C(C)(C)CC2,0,GDB ChEMBL
259684,Cn1cnc(C2NC2(C#N)CC(F)(F)F)c1,0,GDB ChEMBL
259614,CCCC(C)CN(C(C)C#N)C(C)C(C)OC,1,GDB ChEMBL
324040,CC1C[NH2+]CCC=C(C(CCO)C(C)[NH3+])C1,0,GDB ChEMBL
129401,O=C1NC2C=CCC2C1=O,0,GDB ChEMBL
348643,CC1[NH2+]CC2(N)CC2CC1O,0,GDB ChEMBL
179177,CC1(CCO)[NH2+]CC2C(C=O)C21,0,GDB ChEMBL
346977,CNC(=O)C(NC(N)=O)C1(N)C(O)C1(C)O,0,GDB ChEMBL
368439,C#CC1C(C)(C)CC2CCCCCC21C,0,GDB ChEMBL
308681,COC1C(O)C(=N)OC(=O)N2CCC(C2)C1O,0,GDB ChEMBL
285559,CCCC1C#CC(CC)C=CCC(O)C1,0,GDB ChEMBL
372497,CNS(=O)(=O)C1CC1[NH2+]CCO,0,GDB ChEMBL
296035,CCCC(CN1CC1C)[NH2+]C,0,GDB ChEMBL
136152,CC12COC1C1CCC2(O)C([NH3+])C(=O)N1,0,GDB ChEMBL
311658,CC[NH+](C)CC1(C(C)=O)CC([NH2+]C)CN1C,0,GDB ChEMBL
336621,CCC[NH2+]C1CCC(C)=C1CC(C)C,0,GDB ChEMBL
66730,CC(O)CC(C)NC1CC(O)C(=O)OC1C#N,1,GDB ChEMBL
274111,COC1C=CC2(CO)CC(C)CC12,0,GDB ChEMBL
320733,COCC(O)Cc1sc(O)nc1N,0,GDB ChEMBL
351126,CC(O)C(O)C[NH2+]C1C2CCCC21,0,GDB ChEMBL
174273,CCCOCC(C)(C)C1C(C)CCC1C(C)[NH3+],0,GDB ChEMBL
112903,N=c1cc(S(N)(=O)=O)c([O-])ccn1,0,GDB ChEMBL
266474,Oc1ncnc2nc(Br)ccc12,1,GDB ChEMBL
6046,CC1NC(=O)C(CC2(O)CC2[NH3+])C(O)C1O,0,GDB ChEMBL
139795,N=CN(CC(=O)[O-])c1ncns1,1,GDB ChEMBL
385950,OCC1CC(O)C2COCC2C1,0,GDB ChEMBL
356809,CC#CC([NH3+])CC1C(C[NH3+])C1CO,0,GDB ChEMBL
367659,C#CC1(c2c[nH]nc2C)CC2CCCC(C2)C1,0,GDB ChEMBL
307907,CC[NH2+]CC1OCC[NH2+]C2CC1C1(C)CC21,0,GDB ChEMBL
382581,CC1CC(C(O)COS(N)(=O)=O)N1C=O,0,GDB ChEMBL
395156,Nc1ncc(Br)cc1NC(=O)S(N)(=O)=O,0,GDB ChEMBL
191729,C[NH2+]C1CCC2(C(C)C)CC1C2,0,GDB ChEMBL
189885,CCC1(O)C2C=CC1(C(N)=O)C=C2,0,GDB ChEMBL
284003,CC#CC[NH2+]C1CC(C(N)=O)C1CO,0,GDB ChEMBL
299156,C[NH2+]C(C)c1c(COC)n[nH]c1C,0,GDB ChEMBL
97735,CC1CCCC1(C)CC1(C)CCC[NH+](C)C1C,0,GDB ChEMBL
290313,COC1C2OC(C(O)C[NH3+])C1OC2=O,0,GDB ChEMBL
95176,CC(=N[O-])C(O)(CNC(N)=[NH2+])C(O)CO,0,GDB ChEMBL
214429,N=C(N)N1C(=O)C(O)C(=NO)C1C=O,0,GDB ChEMBL
225834,CCC(C)(CC)C1(C)CC(C)CC(CCO)C1,0,GDB ChEMBL
301515,CC1C(C)(C)Cc2cc(Br)ccc2C12CC2,1,GDB ChEMBL
257999,CC(C)(O)C(O)CCOS(N)(=O)=O,1,GDB ChEMBL
244338,C[NH2+]C(CO)C(CO)C(C)=NO,0,GDB ChEMBL
76411,[NH3+]C1C2C(=O)NC13CC2OC3=O,0,GDB ChEMBL
398901,C[NH2+]CCC[NH+](C)CCO,0,GDB ChEMBL
219504,CNS(=O)(=O)CCC(C(N)=O)C1CN1,0,GDB ChEMBL
94674,C[NH2+]C1CCCC2(C)COC(=N2)C1,0,GDB ChEMBL
79357,CC1C(C=O)=CN(C(=N)N)C(=O)C1O,0,GDB ChEMBL
263822,CNCC(=O)OC1C([NH3+])C1C[NH3+],0,GDB ChEMBL
353548,NS(=O)(=O)OCCCCO,1,GDB ChEMBL
151727,C[NH+](C)C1C(O)C1NC(N)=O,0,GDB ChEMBL
328832,CCCC(C)CCC1(C)CC([NH3+])C2CC21,0,GDB ChEMBL
318044,CC1CCN(C)C(=O)CCC2(C)OC(C)C12,0,GDB ChEMBL
288934,CC1CC([NH3+])C2(CC2C)N1CC(N)=O,0,GDB ChEMBL
338121,CC1CC2OC(=O)C(C)(C(C[NH3+])CO)NC2=N1,0,GDB ChEMBL
254252,C#CC1CCC([NH+](C)C)C1CO,0,GDB ChEMBL
363179,CC12CCC(COC1)CC2=O,1,GDB ChEMBL
49151,O=C1CCCc2cccc(I)c21,1,GDB ChEMBL
132500,CC1(C2(C[NH3+])CCCCCC2)C2COCC21,0,GDB ChEMBL
304134,C#CC1(C)[NH2+]CC2C(OC)C([NH3+])CC21,0,GDB ChEMBL
229427,COC1CC2CC([NH3+])C(NC(=O)O2)C1O,0,GDB ChEMBL
195360,C[NH2+]C1CC=CCC(O)C1C,0,GDB ChEMBL
227247,CCC1(C#CCCC(C)C)OC1C(N)=O,1,GDB ChEMBL
109593,[NH3+]C1C#CCCCC=CCC1,0,GDB ChEMBL
205785,CNc1cc(=O)n(C)c(C(C(N)=[NH2+])C(C)=O)n1,0,GDB ChEMBL
5332,O=C1CC(O)C(O)C(O)(C2CCOC2)C1,0,GDB ChEMBL
64349,CN(CC#N)C(=O)Nc1cnc(=O)[nH]n1,1,GDB ChEMBL
78349,Cc1nc(C(C)CC[NH2+]CC=O)cc(Cl)c1Cl,0,GDB ChEMBL
2984,COC1(C[NH+]2CCC(CO)C2)CC(C)(C)C1,0,GDB ChEMBL
232103,CCC1CCC(C)=CCC1(C)CC1CC1,0,GDB ChEMBL
230277,CCC1CCC23C[NH2+]C(C)C2C(O)C(O)C13C,0,GDB ChEMBL
310169,Cc1cc(C2CCCC2)c2nc(O)ncn12,0,GDB ChEMBL
262285,CCC(C)CC1(C(C)[NH3+])NC1C([NH3+])COC,0,GDB ChEMBL
284307,C[NH2+]Cc1cc(Cl)nc(C)n1,0,GDB ChEMBL
19405,C#CC(O)(CCO)C(CC(N)=O)NC(=O)CO,0,GDB ChEMBL
379112,C#CCC(C)C(CCC)CCCC,1,GDB ChEMBL
193266,COCCN=C1N(C)CCC1(O)C(N)=[NH2+],0,GDB ChEMBL
398794,CCc1c(F)cc(C2=CCCC2)c(C)c1F,1,GDB ChEMBL
234387,CC1CC(c2cccc(Cl)n2)=CCO1,1,GDB ChEMBL
337952,CCCS(=O)(=O)NC1CN=C2NC(C=O)C21,0,GDB ChEMBL
284715,N=C(COc1ccncn1)NC(N)=[NH2+],0,GDB ChEMBL
130829,COCCNC(=O)NCCOC=N,1,GDB ChEMBL
256189,CCCN(CCc1coc(=O)cc1Br)C(N)=[NH2+],0,GDB ChEMBL
280867,C#CCCN1CC(=O)CC2CC[NH2+]C2CC1=O,0,GDB ChEMBL
398732,CCNC(C)=[NH+]c1ncc2n1CCN(C)C2=O,0,GDB ChEMBL
279230,CCCC1CC=CC1(C)C1CC1[NH2+]C,0,GDB ChEMBL
62575,Cc1[nH]c(CC(O)CC2CC2)c(C)c1C,1,GDB ChEMBL
190068,CC(C)C1(C(C)C)OC2CC(O)C1C2(C)C,0,GDB ChEMBL
359065,CCCOC1CC2CC(C)[NH2+]CC2CC1(C)C,0,GDB ChEMBL
318119,CC1C2CNS(=O)(=O)C3C([NH+]1C)C23C(=O)[O-],0,GDB ChEMBL
291924,Cc1nc(N)sc(C(C)C)nc(O)nc1N,0,GDB ChEMBL
48136,CC1OCC(O)C2C[NH2+]CC(O1)C2[NH3+],0,GDB ChEMBL
98634,CC1COC(C(C)(C)C[NH3+])C1C,0,GDB ChEMBL
8786,CC1C=CC(C)C2CCCC2[NH2+]1,0,GDB ChEMBL
203429,CC(CO)C([NH3+])C(O)C(O)C(N)C[NH3+],0,GDB ChEMBL
230218,CCCOC12CC[NH2+]CC1C2,0,GDB ChEMBL
23518,CN(C)C(=O)CN(CC=O)Cc1cccnc1,1,GDB ChEMBL
288703,CCC(C#N)(CC[NH3+])S(=O)(=O)NCCO,0,GDB ChEMBL
136082,NS(=O)(=O)OCC1CC12OC(=O)CC2O,0,GDB ChEMBL
228328,C#CC1C2CC3(CC3)C1[NH+](C)C2CCCC,0,GDB ChEMBL
115876,C[NH2+]C1C2CC(CCC2[NH3+])C1CO,0,GDB ChEMBL
181701,CC(CC(O)C=O)[NH2+]CCc1cccc(O)c1,0,GDB ChEMBL
48075,CCC1CC(C2CCCCC2C)CC1C(C)C,0,GDB ChEMBL
280894,N#CC1OC(=O)C2NC(N)=NC12CO,0,GDB ChEMBL
304889,CCC1CCC(C)c2ccc(C)c(CC[NH3+])c21,0,GDB ChEMBL
348704,CN(C)C1CCC=C1C#N,1,GDB ChEMBL
255342,COC(C)C1=C(CC(=O)[O-])CCC(C)(C)C1,0,GDB ChEMBL
177887,CN1CC(=O)[N-]C(C#N)CC2COC(C[NH3+])C21,0,GDB ChEMBL
345821,CC(=O)OC1OC2C[NH2+]CC1(N)C([NH3+])C(O)C2,0,GDB ChEMBL
31049,CC1C(O)CC2(C(N)=[NH2+])C(NS(C)(=O)=O)C12O,0,GDB ChEMBL
82154,C#CC1C[NH+](C)CCCC(C)(C)C1CCC#N,0,GDB ChEMBL
48059,CC1=CCC(C)C(C(C)(C)C)C(C)CC1,0,GDB ChEMBL
48016,CCN1CC(O)CC(CO)N=C1CO,0,GDB ChEMBL
19623,CCC(C#CCCCOC)N1CC1C,1,GDB ChEMBL
280810,C#CCC(CCC=C)C(C)(C)CC,1,GDB ChEMBL
362815,C#CC(C)C(C)c1cc(Br)cc(C)c1C(C)C,1,GDB ChEMBL
336611,CCC1CC=CC(CC2CCC2)C1,1,GDB ChEMBL
247170,C#CC1CN(C=O)C(=N)NC1=O,1,GDB ChEMBL
190247,CC[NH+]=c1[nH]ccccc(C)c(C(=O)[O-])n1C,0,GDB ChEMBL
58500,CCC#CC(CO)(CCCOC)CC(C)[NH3+],0,GDB ChEMBL
138403,CCN(C)C1=[NH+]CCC=CC(O)C1,0,GDB ChEMBL
358245,N#CCC1COC(=O)N1,1,GDB ChEMBL
155102,NC(=[NH2+])C(CC[NH3+])N=C1NC(=O)COC1C[NH3+],0,GDB ChEMBL
121533,C=CC=CC(C)CC(O)C(C)CC,0,GDB ChEMBL
288685,CC1[NH2+]CC2CC(O)CC21CC([NH3+])CO,0,GDB ChEMBL
26840,CC(=O)NCCC=CC(O)C(N)=[NH2+],0,GDB ChEMBL
365736,CC1C=CS(=O)(=O)NC(N)=NCC(=O)N1C,0,GDB ChEMBL
175706,C=CN(C(N)=O)C1COCCC1O,1,GDB ChEMBL
184896,COc1c(C(C)C)[nH]cc(C(C)=O)c1=N,1,GDB ChEMBL
75461,CCC12CC[NH+]1CCC(C)C2,0,GDB ChEMBL
70850,C[NH2+]CC1(N(C)C=O)C(C)CC(O)C1CC#N,0,GDB ChEMBL
206987,C=C(CC)CC1CCC([NH+](C)C)C1,0,GDB ChEMBL
84438,CC(C[NH3+])n1nnnc(NC(N)=O)c1=O,0,GDB ChEMBL
330100,CC(CCC(=O)[O-])C(C)(C)CO,0,GDB ChEMBL
368495,COC1C(C)=CC(O)CC[NH2+]CC1O,0,GDB ChEMBL
222537,COCCC1(C(O)C(N)=[NH2+])C(O)C[NH2+]CC1O,0,GDB ChEMBL
35496,Cn1cncc1C#N,1,GDB ChEMBL
345813,C#CC1CC(C)(C)CC1CC1CCCC[NH2+]C1,0,GDB ChEMBL
170277,CC1C(=O)NC(C([NH3+])CO)C2CN12,0,GDB ChEMBL
208232,O=C1CN(C(=O)C2OC(=O)CCC2O)C1,1,GDB ChEMBL
395183,O=C1CNS(=O)(=O)CCC(C(=O)[O-])OC1,0,GDB ChEMBL
340104,CCCC(=O)N1CCC(C)C2(CCCCC2)C1,1,GDB ChEMBL
348722,C#CC1=C(C#N)CN(C(C)=O)C1C(N)=O,0,GDB ChEMBL
182102,CNC(CO)C(=O)OC1C(O)C1C=O,0,GDB ChEMBL
77872,CC([NH3+])c1ccc(Br)c(Br)c1C1CC1,0,GDB ChEMBL
18702,CC(CC1C[NH+](C)C1)C1(C)CC1,0,GDB ChEMBL
234259,CC(CO)CCC(C1CC1)C1(C)CC1,0,GDB ChEMBL
47259,CC1C=C(n2ccc3ccc(Br)cc32)CC1,0,GDB ChEMBL
197493,CC1=CC(O)(C[NH3+])CC(=O)NCC1O,0,GDB ChEMBL
203279,C#Cc1ccoc(=O)c1C,1,GDB ChEMBL
337786,NC(=[NH2+])NC=[NH+]CCC(=O)CO,0,GDB ChEMBL
331170,CCCC1C=CC2(CCC2)CC1C,1,GDB ChEMBL
75832,CCCc1cccc(C(C)(C=O)C(C)CC)c1,0,GDB ChEMBL
141958,C#CC1(C(C)([NH3+])CC(C)CCC)CCCCN1,0,GDB ChEMBL
177838,OCCCC[NH+]1CCC1CO,0,GDB ChEMBL
24745,CC(N)=[NH+]CC(N)(CC[NH3+])CC(=O)[O-],0,GDB ChEMBL
129579,CCc1nc2c(s1)CCC(=O)CCOC(=O)C2,1,GDB ChEMBL
330543,CCNc1nc(CS(C)(=O)=O)nc(N)c1N,1,GDB ChEMBL
58949,CC1C(C)C2[NH2+]C1C1NC(=O)NC12,0,GDB ChEMBL
208357,Cc1ccc(O)ncnc(N)n2c(N)[nH+]cc12,0,GDB ChEMBL
340512,CCOC(C=O)CNC(=O)C1CC(=O)C(=O)O1,1,GDB ChEMBL
272578,C[NH2+]C1C2OCC1(C(=O)[O-])C2OC,0,GDB ChEMBL
189825,CC(CCC1OC1C)OCC(=O)[O-],1,GDB ChEMBL
124320,Cc1c(OCC2CC2)cc(N)c2ncnn12,1,GDB ChEMBL
43576,C#CC(C)(C)C1CC(CC)CC(O)CC[NH+]1C,0,GDB ChEMBL
334672,C[NH2+]C1C2OCCN(C(C)=O)C12,0,GDB ChEMBL
99553,CC([NH2+]CCCC[NH3+])C1(C)C[NH+]=CN1,0,GDB ChEMBL
162882,CC(=O)Nc1nc(C[NH3+])cncnc(O)s1,0,GDB ChEMBL
376637,CCC(N1CCC(S(C)(=O)=O)C1)C1(C)CO1,1,GDB ChEMBL
175517,CCCCC1CC(CC)CC1(C)C(C)(C)C,0,GDB ChEMBL
11705,CC1CC(N)=[NH+]C(CCC(N)=O)C1=NO,0,GDB ChEMBL
368200,CCCOC1CCC(C)(C)CC1C(C)C,1,GDB ChEMBL
99103,CN1Cc2ccoc2C(O)C1,1,GDB ChEMBL
369874,C=C(C)CC(CC(C=O)=CC)OC,1,GDB ChEMBL
346992,Cc1cnc(COC(C)CO)c(Br)c1C,1,GDB ChEMBL
228362,COCCC(=O)C1(C)CCC[NH2+]1,0,GDB ChEMBL
361159,C1=C2CCC2Cc2ccccc2C1,1,GDB ChEMBL
257540,C#CC(CC(=O)[O-])S(=O)(=O)[N-]C(N)=O,0,GDB ChEMBL
114348,CC(C#N)C(=O)N1C=C(C#N)CC1,1,GDB ChEMBL
70807,O=CC#CCC(CCCCO)c1ccsc1,0,GDB ChEMBL
26810,CC1C(C=O)[NH2+]CC2COC1CNC(=O)O2,0,GDB ChEMBL
385625,CC[NH+]=C1C(O)CCN1CCC(C)C,0,GDB ChEMBL
203598,NCC([NH3+])C(CO)C(O)C([NH3+])CO,0,GDB ChEMBL
280306,CC(OCCO)C(=O)C1CC(=O)[N-]S1(=O)=O,0,GDB ChEMBL
93750,Cn1ccc(N2CCC(n3cnc(N)n3)C2)n1,1,GDB ChEMBL
184261,CC1C(O)CCCC1CC(C=O)CC(C)(C)O,1,GDB ChEMBL
81007,NC(=O)OC1C(=O)NC2(CO)CC1C2[NH3+],0,GDB ChEMBL
317961,C#CC1C(=O)NC2CC1(O)CC(C)=CC2[NH3+],0,GDB ChEMBL
352228,C[NH2+]C1C(=N)OC(C)C2CC1(C)CC2C,0,GDB ChEMBL
184513,CC1(C)C2CC(O)CC(C[NH3+])CCC([NH3+])C21,0,GDB ChEMBL
342348,CN1CCC(NS(=O)(=O)C(=O)[O-])C1,0,GDB ChEMBL
295870,C[NH2+]CC(O)C(C)=NO,0,GDB ChEMBL
352649,NC(=O)C1CC(C(=O)CO)N1,0,GDB ChEMBL
348677,CCCN(C)S(=O)(=O)C1(C)C(C[NH3+])C1(C)C,0,GDB ChEMBL
276143,CN1C(=O)C(C)(O)C(=NO)C2=C1COC2=O,0,GDB ChEMBL
186551,CC1C=CC23CNC(C(N)=O)C2(O3)C1O,0,GDB ChEMBL
370305,C#Cc1ccc(C)c(CC)c1Cl,1,GDB ChEMBL
235630,C[NH+]=CNC(C(=O)[O-])C([NH3+])CCO,0,GDB ChEMBL
394935,Fc1ccc2c(c1)CC1=NCC3CC3N12,0,GDB ChEMBL
190062,CCC(CC1CN1C)C1CC1,0,GDB ChEMBL
142349,C#CCC(C)CN1C(=O)NC(=N)NC(C)C1=O,1,GDB ChEMBL
47577,C#CCC1[NH2+]C(C=O)C(CCO)C1C,0,GDB ChEMBL
396135,CC1CC2C[NH+]=C(N)CCCC1C2,0,GDB ChEMBL
125689,COC12CC1S(=O)(=O)NC2C(O)C[NH3+],0,GDB ChEMBL
38612,COCCC1CC2CCCC1C1CC21,1,GDB ChEMBL
317148,CC1=C(C#CC#N)CCCCNC1=O,0,GDB ChEMBL
247211,C#Cc1c(N)c(NC)c(C(C)=O)c(Cl)c1CO,1,GDB ChEMBL
243355,CCN1C(C(C)OC)=NCC1C,1,GDB ChEMBL
161987,C#CC12CCCCCC[NH+](C)C(C)(CC1)CO2,0,GDB ChEMBL
294488,O=C([O-])C1[NH2+]C2CNS(=O)(=O)C3C2C13,0,GDB ChEMBL
133968,Cn1ccc(NC2CC(C)(C)C2)c1CCO,1,GDB ChEMBL
375536,C#CC1CC2CC(C1)CC(C(C)(C)CC[NH3+])C2,0,GDB ChEMBL
305107,C[NH2+]CCC1NC1CC(C)C,0,GDB ChEMBL
288447,C#CC(C=O)N=CNC(C)(C(N)=O)C(=O)[O-],0,GDB ChEMBL
67377,C[NH2+]C12C=CC(CC1(O)CCCC(C)C)C2,0,GDB ChEMBL
312240,COC1CC2(C)CCC1CNC(C#N)C2(C)O,0,GDB ChEMBL
230502,N#CS(=O)(=O)NCCOCC(N)=O,0,GDB ChEMBL
119939,CCCc1oc(C)cc1C([NH3+])C(C)(C)C,0,GDB ChEMBL
109486,CCCOc1c(N)c[nH]c1N(C)CC[NH3+],0,GDB ChEMBL
317582,N=C(N)c1nnn2c1COC(=O)CC2,1,GDB ChEMBL
119690,CC1NC(=O)C(O)C2OCC(S(N)(=O)=O)C12,0,GDB ChEMBL
275644,CS(=O)(=O)[N-]C1C(C#N)OC(=O)C1C=O,0,GDB ChEMBL
322951,CC1C2OCCCC1[NH+]1CCOC(=O)CC21,0,GDB ChEMBL
278887,COCC(C#N)[N-]C(=O)S(=O)(=O)[O-],0,GDB ChEMBL
68653,[NH3+]CCC([NH3+])C#CCCO,0,GDB ChEMBL
163906,CNC(=O)C1[NH2+]CC1(C)O,1,GDB ChEMBL
148760,C#CC(C#N)CC(CC)C1CC1,1,GDB ChEMBL
319178,NC(=O)CC1NCC(O)C([NH3+])C1(O)COC=O,0,GDB ChEMBL
338832,CCNC(C)(C(=O)Cc1cccs1)C(C)[NH2+]C,0,GDB ChEMBL
133313,CC1(CC2C[NH2+]C2)CCC(O)C1CCO,0,GDB ChEMBL
23987,CC12CCCC3(CC3C[NH2+]1)C2,0,GDB ChEMBL
307459,CC(OC(CO)C(N)=[NH2+])C(O)CCS(N)(=O)=O,0,GDB ChEMBL
209687,CN1C(=O)C(C([NH3+])CCO)OS1(=O)=O,0,GDB ChEMBL
207289,Cc1sc2cnc(O)cc2c1C1CC1,1,GDB ChEMBL
264994,CC(O)C([NH3+])C1=CS(=O)(=O)[N-]C1=O,0,GDB ChEMBL
376054,CC1OCC2(C)C(C)NC(C#N)CCC12,0,GDB ChEMBL
315210,CC1CC(O)C2C1[NH2+]C1C(C(=O)[O-])C12N,0,GDB ChEMBL
228786,CC1=CC2CS(=O)(=O)[C-](C(N)=O)C1OC2=O,0,GDB ChEMBL
50347,CC1CC=CCc2ccccc21,1,GDB ChEMBL
203821,C#CC[NH+](C)CCCNC(CO)C(C)(C)[NH2+]C,0,GDB ChEMBL
325901,[NH3+]C1CCNC(=O)CNc2cn[nH]c21,0,GDB ChEMBL
248615,COC(=[NH2+])NC(C)CNC(N)=[NH+]C(C)C=O,0,GDB ChEMBL
210388,CS(=O)(=O)CCCC(O)C(=O)[O-],1,GDB ChEMBL
258007,C[NH2+]CC1C(C)[NH2+]CC2CCCC1(C)O2,0,GDB ChEMBL
36040,CCCC1CCOCCC(C)CC(CO)CC1,0,GDB ChEMBL
287342,CCC1CC(C(C)C)(C(F)(F)F)CC1C,0,GDB ChEMBL
298954,COC1CCC#CCC(C)(C#N)[N-]C1=O,0,GDB ChEMBL
147923,CC1(OC=N)CN(C(N)=[NH2+])CC1[NH2+]CC(=O)[O-],0,GDB ChEMBL
339208,CC1(S(C)(=O)=O)C2OC(CO)C1NC2=O,0,GDB ChEMBL
168428,C[NH2+]CC1C2CN1C(C)C1C(=O)OC(C)C21,0,GDB ChEMBL
131688,CC1C(O)C[NH+](C)C2CC2C1O,0,GDB ChEMBL
136119,[NH2+]=C1NCCC2OCC(=O)NCC2O1,0,GDB ChEMBL
70072,C=CCC(=O)C1[NH2+]C2CC1CC2C,0,GDB ChEMBL
183449,C#CC(C(N)=O)C(C#N)OC,1,GDB ChEMBL
47387,CC12CC[NH2+]C(C(=O)[O-])CC1O2,1,GDB ChEMBL
343275,N#CC1(C[NH2+]CCCC(N)=O)CC1,0,GDB ChEMBL
374032,CC1CC(n2ncnn2)C(C)(C(N)=[NH2+])C(=O)N1,0,GDB ChEMBL
184064,Cc1cc(O)cc(C)c(C(C)(C)[NH3+])ccs1,0,GDB ChEMBL
33177,CC1C[NH2+]C2CC(NS(C)(=O)=O)C(O)C2N1,0,GDB ChEMBL
260550,O=C1CCCCCC1(O)CO,1,GDB ChEMBL
22558,CCCC(CC1CCC1)CC(C)(C)[NH2+]C,0,GDB ChEMBL
283267,N#CC1(CC(=O)[O-])OC(=O)CCCC1O,0,GDB ChEMBL
162913,CC1CCOCc2cc(C(N)=O)oc2C(C)O1,0,GDB ChEMBL
126626,CS(=O)(=O)NC1C(CO)C(C(=O)[O-])C2([NH3+])CC12,0,GDB ChEMBL
136432,CNC(=O)NCC(=O)C1[NH2+]CC1C,0,GDB ChEMBL
127728,COC(C)C(CO)n1cc(C)nn1,1,GDB ChEMBL
28192,Cc1ccc(F)c(CCCC(C)[NH3+])c1C(C)O,0,GDB ChEMBL
383762,CC(O)C1NC(=O)[N-]S(=O)(=O)C1C#N,0,GDB ChEMBL
155080,CC(C#N)C(C)(N)C(=N)OCC(=O)[O-],1,GDB ChEMBL
203786,CCC(C)C(O)C(=O)Cn1ncnc1N,1,GDB ChEMBL
389085,CC(CC[NH+](C)C)CC12CCCCC1(C)C2,0,GDB ChEMBL
169372,C[NH2+]CCC1NC1C(O)C(C)CO,0,GDB ChEMBL
122718,C#CCOCC1(C)C[NH2+]CC1C(N)=O,0,GDB ChEMBL
134492,CN=C1OCC1(N)C(O)CC([NH3+])C(N)=O,0,GDB ChEMBL
182099,CC(=NO)C1(C)OCC1N(C)C1CC[NH2+]C1,0,GDB ChEMBL
134806,CCC(CN)([NH2+]C)C(C)C(O)C[NH3+],0,GDB ChEMBL
84533,CCC1=CCC(C)C(C)CCC1,1,GDB ChEMBL
311671,COC1C(=O)N(C)C(CCC2CCO2)C1C,0,GDB ChEMBL
219538,C=C(C)C1Cc2nccn2C1C[NH3+],0,GDB ChEMBL
87094,CCC1C(O)CC2C1N2CC,0,GDB ChEMBL
175715,CCC1C=C(C)C2CC(C1C)[NH+](C)C2,0,GDB ChEMBL
46009,Cc1n[nH]c2cn(C)c(=O)cc12,1,GDB ChEMBL
97217,CNC(=O)OC1CC(O)CC(O)C([NH3+])C1N,0,GDB ChEMBL
375865,N#CC1C(C(O)CC(N)=[NH2+])C2CNC(=O)N12,0,GDB ChEMBL
18941,CC1CC2CC(C)C(CO)(C1)C2,0,GDB ChEMBL
155098,N#CCc1nc(NCCO)no1,1,GDB ChEMBL
39804,CCC(C)[NH+]=C1NC2C(O)C(=O)[C-]1C2C(N)=O,0,GDB ChEMBL
129818,CC12CN1C(CC(=O)[O-])C1OC12C[NH3+],0,GDB ChEMBL
317187,CCCC1(Cc2nc(Cl)ncc2N)CC1,1,GDB ChEMBL
311031,CC([NH3+])C1NCC2OCC1C2O,0,GDB ChEMBL
304289,C#CC(=O)C(O)C(C)OC,1,GDB ChEMBL
21513,Cc1cc(Cl)c(Cl)cc1CC(=O)C(C)C,1,GDB ChEMBL
127697,O=C1COCC2COC(=O)N12,1,GDB ChEMBL
386449,Cc1cc(Br)c(CC[NH2+]CC=O)c(Br)c1,0,GDB ChEMBL
204655,CC1NC(=O)Cn2c(c[nH]c2=NCCO)C1=O,1,GDB ChEMBL
36210,CC1CCC(C)(C)C2CCC1CC2,0,GDB ChEMBL
330092,NC(=O)C1(CO)C2CC1N(C=O)C2,1,GDB ChEMBL
165256,CC1N(C)C(=O)CC2([NH3+])C(C(N)=O)C12O,0,GDB ChEMBL
263872,C#CC1C(O)C(C#C)[NH+]2CCCC1C(C)C2,0,GDB ChEMBL
62019,CC(C[NH3+])C1CC2CCC1CC2,0,GDB ChEMBL
251803,COCC1(C=O)C2C[NH2+]CC1N2,0,GDB ChEMBL
396751,NC(=O)C1NC2C(=O)CC(O)C1C2(O)CO,0,GDB ChEMBL
10624,CC[NH2+]CC1=CCCCC1CO,0,GDB ChEMBL
185975,CC(C)=CC1CCCCC2(CC2)C1,1,GDB ChEMBL
211004,C#CCC1C=C(C#N)C(C)C1COC,0,GDB ChEMBL
53702,COC1OC2(C)CC2NC1CC(N)=O,0,GDB ChEMBL
119427,O=C([O-])CC(CCO)Oc1cnsc(=O)c1,0,GDB ChEMBL
19596,CC[NH+](C)C1C(C)=CCC1C,0,GDB ChEMBL
90321,NC(=O)OC(C(N)=O)C([NH3+])C(=O)[O-],1,GDB ChEMBL
18357,Brc1ccc2c(c1Br)C1[NH2+]CCC1C2,0,GDB ChEMBL
191264,C#CCCCC(O)(C#N)CCC,1,GDB ChEMBL
240839,Cc1c(F)c(C(C)O)cc(N)c1C(C)C,1,GDB ChEMBL
285100,Cc1c(F)cc2c3c1NC1CC(O2)C31[NH3+],0,GDB ChEMBL
92899,CC(COCC[NH3+])OC1C[NH2+]C1,0,GDB ChEMBL
200755,NC(=[NH2+])Nc1c(O)nc(O)nc1C=O,0,GDB ChEMBL
374192,CCCCC1C[NH2+]CC(O)C(C)(CC)C1(C)C,0,GDB ChEMBL
151721,NS(=O)(=O)CC1CN(C=O)CC(O)C1O,0,GDB ChEMBL
80481,CCc1ccc(O)cc1CCCOC,1,GDB ChEMBL
249542,CNC1C[NH2+]CCOCC1[NH3+],0,GDB ChEMBL
391820,CCCC(O)c1c[nH]cc1C(CC[NH3+])C(C)C,0,GDB ChEMBL
29811,CN=C1OC(C)(C)CC1COC,1,GDB ChEMBL
257546,COC(=O)C1C[NH2+]CCN=C(NC=[NH2+])C(C)C1,0,GDB ChEMBL
377000,CC1C(C#N)C[NH+](C)C1C,0,GDB ChEMBL
160367,Cc1cc2c(C#N)cnc(O)c2s1,1,GDB ChEMBL
280440,C=CCC1C2CC2C(CC)C2CC12,0,GDB ChEMBL
44089,CC(C)C(O)CCS(N)(=O)=O,1,GDB ChEMBL
9792,CCC1NS(=O)(=O)C2C(C#N)C2(O)C1C(=O)[O-],0,GDB ChEMBL
172777,CN1C(=O)C2CC2C1(CC[NH3+])CS(N)(=O)=O,0,GDB ChEMBL
271019,Cc1ccc(N(C)C)c(C2CCC2)c1F,1,GDB ChEMBL
345422,CC1[NH2+]C2(C)CC[NH+](CC2)C1C(O)C(=O)[O-],0,GDB ChEMBL
63132,[NH2+]=c1cc[nH+]c(CCO)cccc[nH]1,0,GDB ChEMBL
385957,CCCOC(C[NH3+])C(=O)[O-],1,GDB ChEMBL
136716,CCCNC(=[NH2+])NC(=[NH2+])CC1CO1,0,GDB ChEMBL
318061,C#CCCCOC(C)c1cc(N)c(CC)n1C,1,GDB ChEMBL
290157,[NH3+]CCC1CC(CC[NH3+])C2CC(C2)[NH2+]1,0,GDB ChEMBL
305503,COC1(C)C(O)C(CC(=O)[O-])C1(N)CC#N,0,GDB ChEMBL
243928,C[NH2+]CCN=CN1C(=O)COC(C)(C)CC1C,0,GDB ChEMBL
330502,CC(OC1C([NH3+])CC(OC(N)=[NH2+])C1O)C(=O)[O-],0,GDB ChEMBL
45714,C[NH2+]CC(C)(C)C1CCC2C[NH2+]C(C)C21,0,GDB ChEMBL
210985,O=C1NCC(C2CCNC2=O)O1,1,GDB ChEMBL
285067,CNc1nc2c3c(cnn2c1O)C(=O)NC3,0,GDB ChEMBL
34386,N=C1CCC(C(N)=[NH2+])C(CCO)C([NH3+])C(=O)N1,0,GDB ChEMBL
310771,CCC(C)C1CCc2c(Br)ccc(Br)c2C1C,0,GDB ChEMBL
91173,CCCCCC1=C(C)CC(C)C1C1CCC1,0,GDB ChEMBL
293799,CC1CC2CC[NH2+]C(C2)C1C[NH3+],0,GDB ChEMBL
374162,C[NH2+]CC(O)C(C#N)CNC=O,0,GDB ChEMBL
292331,NC(=O)c1ncn(C(=O)CCO)n1,1,GDB ChEMBL
355424,Cc1cccc2c1C1(C)C(C)C(C)C(N2)C1C,0,GDB ChEMBL
194254,[NH3+]C1CS(=O)(=O)[N-]C(=O)C2OCCOC12,0,GDB ChEMBL
153750,CC(C)C1CC2CCCC(C)(CCO1)C2,0,GDB ChEMBL
72420,C[NH2+]C(CCOC)c1c(C)[nH]c(=O)[c-]1C#N,0,GDB ChEMBL
160869,CC[NH2+]CCC1C2CCCCC1C1OC1C2,0,GDB ChEMBL
61954,[NH3+]C1COC2C(O)C2C(NC(=O)C(=O)[O-])C1,0,GDB ChEMBL
260178,CCc1c(C)cc(O)c2c1C(C)C=CC2,1,GDB ChEMBL
383988,COC(C)CNCc1nc(C(N)C(N)=O)no1,1,GDB ChEMBL
99640,[NH3+]CC1NCC2[NH2+]CCNC2COC(=O)C1O,0,GDB ChEMBL
38712,O=C(CC[NH+]=C1NCCCN1)C(O)CCO,0,GDB ChEMBL
307928,CCCOC1COC(=NCC)CC1CC(N)=[NH2+],0,GDB ChEMBL
44359,COCCc1c(C#N)cnc(=N)oc1=O,0,GDB ChEMBL
246413,CCc1c(I)cc(C2CC2CO)c(C)c1C,1,GDB ChEMBL
170307,NS(=O)(=O)OCC(O)C1C2COCCN21,0,GDB ChEMBL
148794,CCC(=O)CC[NH+]=C(N)OC,0,GDB ChEMBL
355004,CCOC1(CCC#N)C([NH3+])CC1[NH3+],0,GDB ChEMBL
43936,COc1c(C)c(CC2COC(N)=N2)coc1=O,0,GDB ChEMBL
61694,CC1=CC2CCC(O)(CCCC1)CC(C)O2,0,GDB ChEMBL
29793,CCC1CCCC(C)CC1C1(C)CC1O,0,GDB ChEMBL
359048,CC1(C(=O)[O-])OCC2C(O)C(C[NH3+])NC21C[NH3+],0,GDB ChEMBL
228300,CCOC(CCC#N)CC(CC)CCCC[NH3+],0,GDB ChEMBL
337846,NC1C(=O)OC2C(O)CC(C2CO)C1NC=O,0,GDB ChEMBL
392271,COCCCc1c(C)cc(C)nc1O,1,GDB ChEMBL
40026,CCC1OCCC(C)C2[NH+](C)CC12CC,0,GDB ChEMBL
303876,C#CC(c1cc(N)ncn1)C(C)([NH3+])CC,0,GDB ChEMBL
337063,C#CC1CC2CC2C(C=C)C[NH+]1C,0,GDB ChEMBL
657,CN(C)S(=O)(=O)CC(=CC[NH3+])C(N)=O,0,GDB ChEMBL
262235,CNC1C2[NH+]=C(N)C(C(O)CO)C1NC2=O,0,GDB ChEMBL
255527,C=CC1C[NH+]=C(N)C1(O)CC(N)=O,0,GDB ChEMBL
28166,CC1=CCC[NH2+]C1C(=O)[O-],1,GDB ChEMBL
56631,O=CC1CCNC(=O)NC(=O)C(=O)CN1,1,GDB ChEMBL
338986,C#CCC1C([NH3+])CS(=O)(=O)NC(C#N)C1O,0,GDB ChEMBL
109518,COCC1C2CCCC1CC(O)C2,1,GDB ChEMBL
316331,C[NH2+]CCC1(C(C#N)C(N)=O)CC1CO,0,GDB ChEMBL
99860,N#CC(COC=O)C(CC(=O)[O-])NC=O,0,GDB ChEMBL
319196,CCC(C)C1C2CC1C1CCC2C1(C)O,0,GDB ChEMBL
217721,CNCc1nccc(C=O)c1I,1,GDB ChEMBL
103406,C#CC(C(C)C)C(CC(C)(O)CC)N(C)C=O,0,GDB ChEMBL
276292,CC1CC[NH+](C)C1CO,1,GDB ChEMBL
307465,CC1CC(C)(C)C(CC([NH3+])CO)[NH2+]C12CC2,0,GDB ChEMBL
368537,CC1[NH2+]CCCC2N=C1OC2C,0,GDB ChEMBL
280638,NC(=O)C(C[NH3+])OCC[NH3+],0,GDB ChEMBL
208376,N#CC(N)C(CNC(N)=O)C(N)=O,1,GDB ChEMBL
50896,CC#CC1CCCC=CC1C(C)C,0,GDB ChEMBL
132676,CC1(O)C([NH3+])C1(CO)NS(C)(=O)=O,0,GDB ChEMBL
40058,CC1OCC(O)CC1OS(N)(=O)=O,1,GDB ChEMBL
84464,CCCc1ccc(I)c2c1CC(C)C(C)(C)C2,0,GDB ChEMBL
108121,Cn1nnc2c1c(CC[NH3+])nn2CCO,0,GDB ChEMBL
238162,CC1C([NH3+])C(O)C2CC1(C[NH3+])C(=O)N2,0,GDB ChEMBL
300463,[NH3+]CCC(Nc1n[n-]ncc1=O)C(=O)[O-],0,GDB ChEMBL
179146,CNC1=[NH+]CCCC([NH3+])CC(C)C(O)C(=N)N1,0,GDB ChEMBL
130421,CCC12CCC(CC1)CC(C)([NH+](C)C(C)C)C2,0,GDB ChEMBL
170076,CC1C2CC2C2CCCC([NH3+])(C2)C[NH+]1C,0,GDB ChEMBL
393972,CCc1cc(I)c(NC)cc1C1(C)CCCC1,1,GDB ChEMBL
279279,COC(=O)C1(NC2C=C(C)C[NH2+]C2)CC1,0,GDB ChEMBL
138354,CC1=CCCCCCC([NH3+])CC1,0,GDB ChEMBL
85863,CC1(C)CC(=O)C(C#N)O1,1,GDB ChEMBL
173742,CNC(=O)C(CO)[NH+]=C(N)CN,0,GDB ChEMBL
245522,CC(C)Cc1cc(CO)cnc1Br,1,GDB ChEMBL
156060,C#CC1C2COC1C(C[NH+](C)C)C2,0,GDB ChEMBL
248256,CCCC[NH2+]C(C)COC1=NCC(C)C1=O,0,GDB ChEMBL
211170,COC(C(=O)[O-])C(C[NH3+])c1nnn(C)n1,1,GDB ChEMBL
315289,CC1OCC=CC2(C)CC(O)C1O2,1,GDB ChEMBL
162507,NS(=O)(=O)OC1C(=O)OC2OCCCCC21,0,GDB ChEMBL
23558,N#CC1(C(C[NH3+])CO)COC(=O)C(O)CC1O,0,GDB ChEMBL
328827,C#CCCCC1(CC(C)CCC)CC1C,0,GDB ChEMBL
162489,CCOCC[NH2+]C1CS(=O)(=O)NC1C,0,GDB ChEMBL
221401,Cn1ccc2c1CC1CCC2OCC[NH+]1C,0,GDB ChEMBL
352574,N#CC(OCC[NH3+])C(O)CC(=O)[O-],0,GDB ChEMBL
300507,CC(C)(C=CCCCC[NH3+])CC#N,0,GDB ChEMBL
246393,CC#CCC1OC1(C)COC,1,GDB ChEMBL
51068,O=C1CC=CC(CO)CN1,1,GDB ChEMBL
235194,CC1CCC2(C(O)C[NH2+]C2C)C(C2CC2)C1,0,GDB ChEMBL
97714,CC(=[NH2+])NC(C=O)CN(C)C(=O)CO,0,GDB ChEMBL
289788,CC(CC[NH3+])C1([NH3+])CNC(=O)NC1C(N)=O,0,GDB ChEMBL
132533,CNC(=O)C(N)CNS(=O)(=O)OC,0,GDB ChEMBL
300554,O=C1NC(CO)CC2C1=CCC(O)C21CC1,0,GDB ChEMBL
240390,COC(=O)C1C=C2CCC3C2C3C1C,0,GDB ChEMBL
36011,CS(=O)(=O)CCC1C(CC#N)=CCN1C=O,0,GDB ChEMBL
223266,CCCC12C3CCC[NH+]4CCC(CC3)C1C42,0,GDB ChEMBL
362645,CCOC1(CC(C)(C)[NH3+])C=CCC1,0,GDB ChEMBL
169429,C=CC1(C)C2CC3[NH2+]CCC2CC31,0,GDB ChEMBL
294210,CN1C(=O)CNC2CC1C1NC21,0,GDB ChEMBL
360842,CCC1C(C)C[NH+]2C1CCC21CCCN(C)C1,0,GDB ChEMBL
174853,C#CC(=NCCC)NC(N)=[NH2+],0,GDB ChEMBL
215317,CCOC1(C(C)C)C=CCC1=O,1,GDB ChEMBL
127473,CCOc1c(C[NH3+])nc(O)n1C(C)C,0,GDB ChEMBL
318791,CCC1CC(C)C2C(CC(C)(C)C)C=CC12,0,GDB ChEMBL
318377,CC1OC(C(O)C(=O)[O-])C2C=CC1[NH2+]2,0,GDB ChEMBL
70171,C#CCCC(C)c1ccccc1F,1,GDB ChEMBL
271040,CC(=O)N(C=O)C(C)=O,1,GDB ChEMBL
330547,CCCCCC1(C)C=C(C)C(C)C(CC)C1,0,GDB ChEMBL
80296,CC1COC2CC3CC(C3)NC(=O)C12,0,GDB ChEMBL
332665,CC(C)C[NH2+]CC1C2CCC2(C)CN1C,0,GDB ChEMBL
366569,C1CC(C2C[NH2+]CC[NH2+]C2)C[NH2+]1,0,GDB ChEMBL
230271,CCn1cc2c(n1)C(O)C[NH2+]CC(C[NH3+])C2N,0,GDB ChEMBL
181387,COCC1C2CC(=O)OC(CO)C1O2,0,GDB ChEMBL
320453,COC1C(O)CC(=O)NC2C([NH3+])C21,0,GDB ChEMBL
70196,CCCC1(CC#N)C2CC(O)CC(O)C21,0,GDB ChEMBL
118688,CS(=O)(=O)[N-]C(=O)C1C[NH2+]CC1(CO)OC=O,0,GDB ChEMBL
333125,CCCCCOCC#CCO,1,GDB ChEMBL
252892,Cc1sc2nc1C(C)CCC(C)OCCCN2,1,GDB ChEMBL
107819,NC(=O)C1[NH2+]CC2OCCOC21,1,GDB ChEMBL
130215,CC1C(C)C12CCc1[nH]nc(C(=O)[O-])c1C2,0,GDB ChEMBL
159861,O=CNCCCCNC=O,1,GDB ChEMBL
283439,C#CCCCC1=CCCC(C)(C(C)C)C1,1,GDB ChEMBL
305063,[NH3+]C1C(O)CC2OC(=O)C(O2)C1O,0,GDB ChEMBL
389415,CC12CCCC(C1)c1ccc(F)cc12,1,GDB ChEMBL
54113,C[NH2+]C1CCCCN(C)C=C1C(=O)COC,0,GDB ChEMBL
190116,N#CCNC(=N)NC(=O)CC1(C[NH3+])COC1,1,GDB ChEMBL
171283,N#CCC(C(=O)[O-])c1nnc(Cl)cc1N,0,GDB ChEMBL
230754,CCC(C=O)C1=C(C)C(O)C(CCOC)C1,0,GDB ChEMBL
376058,CC(=O)NC12CC(C1)C2CO,0,GDB ChEMBL
160836,C#Cc1ccc(C[NH2+]CC)cc1I,0,GDB ChEMBL
291536,CC1[NH2+]C(CC=O)C(O)C1C,0,GDB ChEMBL
99704,CCC1(CC)CC(C)(CCCC(C)C)C1,1,GDB ChEMBL
140377,CC(C)NC1C[NH2+]CC2CC([NH3+])C1O2,0,GDB ChEMBL
304338,CC1=C2COC(C)C(CCCC1)C2,0,GDB ChEMBL
324261,COC(=O)CC(C=O)C(=N)OC(C)CO,1,GDB ChEMBL
130627,COCc1ccnc(C)c1C,1,GDB ChEMBL
130611,CC(C)(C)CC1(C)CC2CCC(C)(O)CC2C1,1,GDB ChEMBL
174906,CNc1nc(NCC(N)=[NH2+])nc(N)c1F,0,GDB ChEMBL
234994,C=CC1CC(O)C(CO)C1C(N)=O,0,GDB ChEMBL
146915,CC(C)C1OCCCC1N(C)CC#N,1,GDB ChEMBL
115714,CC1(C)CCC=CC(=O)OC2CCC(C1)O2,0,GDB ChEMBL
263473,CCC12CCC(C)(C1)C(C(C)OC)CC(O)C2,0,GDB ChEMBL
341361,CC(C)C[NH2+]C1C(CO)N(C)CC1C(F)(F)F,0,GDB ChEMBL
116088,C=CCC(C(C=C)CC)C(F)(F)F,1,GDB ChEMBL
6034,CC1(N)C(O)C12CC(CO)C(C(=O)[O-])[NH2+]2,0,GDB ChEMBL
278239,CCNC(=O)c1sc(C(N)=O)c(N)c(=[NH2+])c1[O-],0,GDB ChEMBL
255098,CC1=CC2c3c(Br)cccc3C3[NH2+]CC23C1,0,GDB ChEMBL
152035,N#CC1C2OC(=O)CC(O)(CC2[NH3+])C1O,0,GDB ChEMBL
114767,C#CCCC(C)C1OC1C(C)O,1,GDB ChEMBL
218585,N#CCCC1COCCCC1[NH3+],0,GDB ChEMBL
274047,CCOc1c(C(CC)(C[NH2+]C)NC)cnn1C,0,GDB ChEMBL
130583,C#CC1(C(F)(F)F)CCCCC1C(C)CCC,0,GDB ChEMBL
285092,C#CCC#CCC([NH3+])COCCC[NH3+],0,GDB ChEMBL
91184,CC1CCC(O)CC2CC(C)C(C1)C2O,0,GDB ChEMBL
77833,[NH3+]Cc1c(C2(C(=O)[O-])CCCC2)nn[nH]c1=O,0,GDB ChEMBL
201496,CCCC[NH+](C)CC(O)CC1CC(C)[NH2+]1,0,GDB ChEMBL
330494,CCCCC(C)(C)CC(=O)CCCC=O,1,GDB ChEMBL
254270,CC(C)(C)C(O)C(=O)C(=O)[O-],1,GDB ChEMBL
368457,CCS(=O)(=O)N1CCC23NC2CC(O)C3C1,0,GDB ChEMBL
368199,Cn1nnc(N2C(=O)CCC2=O)n1,1,GDB ChEMBL
155787,CCOCC1C2CCC1[NH+](CC(N)=O)C2CC,0,GDB ChEMBL
181656,CCCCC1C=CCC(CC=O)C1C,0,GDB ChEMBL
34905,CCOCCC1C(CCC(C)C)C1(C)[NH3+],0,GDB ChEMBL
119979,CCc1nc(C(CC)(CC)C[NH2+]CCN)cs1,0,GDB ChEMBL
116373,CC([NH3+])C(=O)NC(N)=NCC[NH3+],0,GDB ChEMBL
320272,CC1OCCN(C)C(=O)C2NC12,0,GDB ChEMBL
84563,CN(C(=N)NCC#N)S(=O)(=O)CC1CCO1,1,GDB ChEMBL
102306,CC1COC2C[NH2+]CC(OC(=O)CC2O)C1[NH3+],0,GDB ChEMBL
113581,CC(O)C1CC(O)C2CNC(=O)C2(C)[NH2+]1,0,GDB ChEMBL
13119,CCOc1cc(F)cc2c1C(C)(C)CC=C2,1,GDB ChEMBL
296047,CCC(C[NH3+])C1CCC2CC2C1,0,GDB ChEMBL
182521,CCC1CC(CC)[NH+]2CC(C)CC(C)C(C)C12,0,GDB ChEMBL
152566,CNc1cccc2c1C(=O)CC2(C)C,1,GDB ChEMBL
201068,COCC1(O)CC(C(C)C(C)O)[NH2+]C1C,0,GDB ChEMBL
361626,O=C1CC2C(O1)OC(CO)C1CN12,0,GDB ChEMBL
95526,CC12NS(=O)(=O)C(C)(C1O)C2CC([NH3+])C(=O)[O-],0,GDB ChEMBL
245548,CC1(C)CC(CC#N)[NH+]2CCC(C2)C(C)(C)O1,0,GDB ChEMBL
79379,CC1=CCC=CC2C(CC1)C[NH2+]C2C,0,GDB ChEMBL
314926,CC(C)CC#Cc1cc(Br)ccc1N,1,GDB ChEMBL
338002,CCCC1OCCC(C)C(C)(OC)C1[NH3+],0,GDB ChEMBL
217408,CC(=O)OCC1OCC([NH3+])C1S(N)(=O)=O,0,GDB ChEMBL
62541,CC[NH2+]C(C)C1(CC)CC1CCC(F)(F)F,0,GDB ChEMBL
254200,CCCC#CC1(C)CC(CC(C)C)C1,1,GDB ChEMBL
374362,CC1(C(=O)[O-])OC(=O)C(C)(C(N)=O)C(O)C1O,0,GDB ChEMBL
105998,CC(CO)CC(C)[NH+]=C(CN)NCCO,0,GDB ChEMBL
288492,CCc1noc(CC)c1C#N,1,GDB ChEMBL
4900,OCCCC1OCCC12CC2,1,GDB ChEMBL
113527,C#CC1=CC(CCC)C(C)(C)CCCC1,0,GDB ChEMBL
374364,C[NH2+]C(C=O)C(O)C1CC(C)OC(C)C1,0,GDB ChEMBL
394384,CNC1C(=O)OC2C(=O)C3CC(CCC[NH2+]3)C12,0,GDB ChEMBL
133149,CC(C)C1COCC(CO)C1=O,1,GDB ChEMBL
112347,C[NH2+]C1CCC(C)C(C)(O)C12CCCC2O,0,GDB ChEMBL
79306,CC1CCCC(C)C2C1CC([NH3+])CC2(C)C,0,GDB ChEMBL
315263,CNC(=[NH2+])CCC(=[NH+]C)N(C)CCO,0,GDB ChEMBL
259080,CCc1cc(Br)cc2c1C(CC1CC1)CC2,1,GDB ChEMBL
281188,[NH3+]CCCCC1CC(O)C12CCCO2,0,GDB ChEMBL
289831,CC1(O)CCOC2(CC[NH2+]C2)CC1,0,GDB ChEMBL
368458,CCCCCC1CCC(CC)CC(C)C[NH+]1C,0,GDB ChEMBL
271563,C#CCc1ccc(F)c(F)c1CC#C,1,GDB ChEMBL
208221,CC1CC=CC12CCC2c1ccnc(N)c1,0,GDB ChEMBL
170242,CN(C)c1cc(CCc2cccc(I)c2)cs1,1,GDB ChEMBL
8784,NC(=O)C1NC2C[NH+]=CNC2C1O,0,GDB ChEMBL
46916,CCCC(CC)C(CC)C1CC1C(C)CC,0,GDB ChEMBL
177054,CC[NH+]1C2CC(C(C)O)C3(C2)CC13,0,GDB ChEMBL
108130,C#CCC(O)CC(=O)CC,1,GDB ChEMBL
191398,C[NH2+]C1C(C)N2CCCCC12,0,GDB ChEMBL
126417,N=COC(CC(=O)[O-])C1N=C(N)NC1=O,0,GDB ChEMBL
148932,CC1=CCCCCC2CCC(C)(C)C1C2,0,GDB ChEMBL
386492,CC1C(C#N)C1(O)C1CC(O)C(=O)N1,0,GDB ChEMBL
307588,C=C1C=CCCCCC1(C#N)C[NH3+],0,GDB ChEMBL
392752,CCC(=O)Oc1ccc(CC)cc(=[NH2+])c1,0,GDB ChEMBL
116417,C=CCCNc1nocc1NCC,1,GDB ChEMBL
385503,N#CC1CC(O)CC1C([NH3+])CS(=O)(=O)[O-],0,GDB ChEMBL
120566,CCC1CCC2COCCC1C(C)C2,0,GDB ChEMBL
59164,CC1CN(C)C(=O)C2COC2(CO)CO1,0,GDB ChEMBL
109498,CCC(CC1(C)C(C)CCC1CC)C(F)(F)F,0,GDB ChEMBL
236660,C#Cc1cc(I)ccc1C(C#C)CC1CC1,0,GDB ChEMBL
383337,CC(O)C1C(=O)NCC2(N)CS(=O)(=O)NC12,0,GDB ChEMBL
290121,C#CC(CC=C)CCCCC1CC1,1,GDB ChEMBL
257991,CC1=CC2C[NH+](C)C(C)CC2[NH2+]C(C)(C)C1,0,GDB ChEMBL
366928,CCOC(CO)C(CC(O)CO)NC(C)=O,1,GDB ChEMBL
332708,C#CCC1C(=O)C=CCN1CC,0,GDB ChEMBL
75872,O=C1NC2=NCCC(=O)C2O1,0,GDB ChEMBL
62013,Cn1nc2c(c1O)OCCN2,1,GDB ChEMBL
41035,CC(=O)CNC(=O)C#CC1CC1,1,GDB ChEMBL
175700,CC1CC(C)[NH+]2CCCCC2(C)C1CCC[NH3+],0,GDB ChEMBL
289846,NC(=O)OC1C(CC[NH3+])C2OC(=O)OC1C2O,0,GDB ChEMBL
233895,CC1(C)CCC2(C)CCCC(O)CC2C1[NH3+],0,GDB ChEMBL
203514,NC(=O)C1OC(CC[NH3+])C(O)C1OC=O,0,GDB ChEMBL
284296,CNC12C[NH2+]CCC(CC(C)C1)C2O,0,GDB ChEMBL
330535,CC1C=CC2CC1CCCC1[NH2+]CCCC21,0,GDB ChEMBL
149953,CC1=CCC2CCCCCC(=CC1)C2,0,GDB ChEMBL
38505,CC(=O)NCC(O)C1([NH3+])CC1C(O)C(C)O,0,GDB ChEMBL
127716,Cc1nn(CC=O)c(=O)n1CC(=O)[O-],1,GDB ChEMBL
142508,CC1=CC(C)[NH2+]CC2CCCC(C(C)C)C12,0,GDB ChEMBL
35278,CCC12CC([NH3+])CC1C(C)=CCC2C#N,0,GDB ChEMBL
317969,[NH3+]CC1C([NH3+])C(O)CC1(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
353271,N#CCn1cc(C(=O)NC(=O)CO)nn1,1,GDB ChEMBL
395649,C#CCC(O)COCCc1ccc(Cl)c(Cl)c1,1,GDB ChEMBL
217086,CC(=O)C12OC1CCC1NC(=O)CC12,0,GDB ChEMBL
383077,Cc1ncc2cc1CCCC(CC=O)OCC2,1,GDB ChEMBL
315180,CC12NC(=O)OCC([NH3+])CC1(O)C2O,0,GDB ChEMBL
34248,CS(=O)(=O)N1CC(Cc2nc(C#N)no2)C1,1,GDB ChEMBL
89703,CCC(C(N)=[NH2+])S(C)(=O)=O,0,GDB ChEMBL
285749,CC(=O)N(C=O)CC(N)=[NH2+],0,GDB ChEMBL
339067,CCC1CC=CNC(=O)N1C,0,GDB ChEMBL
225411,COC(=O)C(=O)N1CCC(C#N)C1,1,GDB ChEMBL
5320,CCC1OCOC(=O)N(CC)C1=O,1,GDB ChEMBL
389053,Cc1nc2nc(O)ccc2s1,1,GDB ChEMBL
233475,CC1CC1C1(C)CCC2CCCC1C2,0,GDB ChEMBL
185913,[NH3+]C1C(O)CNCC(=O)OCC1(O)C(=O)[O-],0,GDB ChEMBL
305282,O=Cc1cc(Cl)c([O-])c(-c2nnco2)c1,0,GDB ChEMBL
2093,CCC12OCC3C1C(O)CC2N3C,0,GDB ChEMBL
127254,N#CC1(CO)CN(CC=O)CCN1CC(N)=O,0,GDB ChEMBL
208353,CC=C1C[NH+]2CCCC2C12CCC2,0,GDB ChEMBL
1062,CC#CCc1cc(NC)nc(F)c1F,1,GDB ChEMBL
231135,CC(C)C1CC(C[NH3+])C2(C)CC1CC2C,0,GDB ChEMBL
109471,CC(=O)NCC1=CCC(CCO)S(=O)(=O)N1,0,GDB ChEMBL
204477,C=CCC1C2CC(C)CC1OCO2,0,GDB ChEMBL
318529,COC(=O)C1C2CC1(O)C(=O)O2,1,GDB ChEMBL
209678,CCCCCCC1OCC=C1C,1,GDB ChEMBL
29965,C#CCNC1C(=N)OC2CC(C(=O)[O-])C(C)C21,0,GDB ChEMBL
218598,C[NH2+]C(C)(C)C1CC2CCCCC(C)(C)C1[NH2+]2,0,GDB ChEMBL
227513,COC1OC2CC([NH3+])C1OC2C,0,GDB ChEMBL
103921,CCC1CC[NH+]2CC(C)(C)C12,0,GDB ChEMBL
328952,COC(=O)CCNC(=[NH2+])Cc1noc(C)n1,0,GDB ChEMBL
143801,CCc1nc2c(cc1C(C)=O)C1OC1CC2,1,GDB ChEMBL
334061,COC1C2NCCC(O)CC21C#N,0,GDB ChEMBL
6859,[NH3+]CC1CC2C(C(=O)[O-])S(=O)(=O)N2C1,0,GDB ChEMBL
111496,CC(C)CC1=NCC=CCO1,1,GDB ChEMBL
183476,CC1CC2CCC=CC1CC2,1,GDB ChEMBL
321418,CC1[NH2+]CC2(C(=O)[O-])CC1C(O)C2O,0,GDB ChEMBL
309686,CC1C(O)C2CCC1C(C[NH3+])N2,0,GDB ChEMBL
307901,CNC1=NC2(COC)CC1NC2=O,0,GDB ChEMBL
126998,CN=C(CNC(=O)NC)Nc1ncns1,1,GDB ChEMBL
317973,NC(=O)CCC(O)C1(O)CC12CCCO2,0,GDB ChEMBL
352845,COC(=O)C1(CC(C)O)CN(C)CC1=NO,1,GDB ChEMBL
365696,C#CC(C)C1(CCCCCC)CC(C)C(C)C1,0,GDB ChEMBL
47739,CC#CCC1(C)CC(CC)CC1(C)CCC,0,GDB ChEMBL
395598,[NH3+]CCC1C([NH3+])CC(C(O)CCO)NS1(=O)=O,0,GDB ChEMBL
323152,CC(Cn1cc(N)cn1)C1(CC(=O)[O-])CO1,0,GDB ChEMBL
379885,CC1=CC2(C#N)NCCOCC2C1,1,GDB ChEMBL
227572,Cc1onc2c1C[NH2+]CCCC(C)O2,0,GDB ChEMBL
280879,C=CC(C#N)c1ccc(Cl)c(C)c1,1,GDB ChEMBL
261329,CC[NH+]1CC=CC2CC3CCCC3C21,0,GDB ChEMBL
285121,Nc1ncc(NC(CO)CO)c(=O)o1,0,GDB ChEMBL
382481,Cn1cnc(C2[NH2+]CC3C(CO)C23C)c1,0,GDB ChEMBL
152523,Cc1ccc2cc1C#CC1CC1CC=CC2,1,GDB ChEMBL
313741,C#CC(C)CCC[NH2+]C1CC(OC)C1,0,GDB ChEMBL
124243,CC1=CC(=O)OC2CC2C1,1,GDB ChEMBL
291503,Cc1cccccc(C(CO)CC(C)C)co1,0,GDB ChEMBL
39973,CC1C(CC(=O)[O-])C2[NH2+]C12,0,GDB ChEMBL
84846,CC1C[NH+]2C3CCCC1C2CC3C,0,GDB ChEMBL
380283,CCOCC1CC(C=O)[NH2+]1,1,GDB ChEMBL
267930,CC(NC(N)=[NH2+])C1CC=CCC1,0,GDB ChEMBL
16750,COc1cnc(NC=NC(C)CO)c(OC)n1,1,GDB ChEMBL
17094,CC([NH3+])C1CCC(C)C(CC[NH+](C)C)C(C)C1,0,GDB ChEMBL
132221,O=C1OC(C(=O)[O-])C1Nc1ncns1,1,GDB ChEMBL
244607,CCC(CC)c1c(C)cc(Cl)cc1C,1,GDB ChEMBL
204312,Cc1cc(C(C)(C)CCCC[NH3+])c(Cl)cc1Cl,0,GDB ChEMBL
179183,CC[NH+]1CC(CS(N)(=O)=O)C1C(C)CO,0,GDB ChEMBL
85021,COc1nc2c(s1)CCC(O)C(C[NH3+])(CO)C2,0,GDB ChEMBL
43930,CC1C2CCCC(O2)C1CC[NH3+],0,GDB ChEMBL
132699,CCCC1(CCC)C2CCC(CC2)[NH2+]C1(C)C,0,GDB ChEMBL
301471,CCC1CC(C2CC2)CC2CC[NH+]1CC2C,0,GDB ChEMBL
64093,CC1(C(=O)[O-])C([NH3+])C2C(O)C(=O)NC21,0,GDB ChEMBL
80219,CC1OC(=O)CC2C3C4C1C=CC43C[NH+]2C,0,GDB ChEMBL
64296,CCC1CC2[NH2+]CC3(OC13)C2O,0,GDB ChEMBL
38522,CC12CC(CCS(N)(=O)=O)(NC1=O)C(=O)O2,0,GDB ChEMBL
277140,Cc1ccc2c(c1)C1CCC=CC1CC2C,0,GDB ChEMBL
330159,CCOC12CNC1C(=[NH2+])N(CCCOC)C2,0,GDB ChEMBL
273407,CN1CC2(CC(N)=[NH2+])CC(C2)OC1=O,0,GDB ChEMBL
307910,CN(C(=[NH2+])CNCC#N)c1ccc(O)nc1,0,GDB ChEMBL
50087,CCCC(OCC)C1COC1,1,GDB ChEMBL
311656,CC1[NH2+]C(C(N)=O)CC12CC(N)C(=O)NC2=O,0,GDB ChEMBL
43972,CCCC#CC1C(CCC)C1(C)C,1,GDB ChEMBL
369882,CCCC1C(C)C(C)(C2CCCC2)CC1(C)C,0,GDB ChEMBL
143186,[NH2+]=C1CC([NH3+])CC(CC(=O)[O-])N1,0,GDB ChEMBL
69622,CCNC(=O)C(OC)C(COC=N)C(C)CO,0,GDB ChEMBL
38923,COC(=O)C(=O)C1(C)NCC1C#CCO,0,GDB ChEMBL
391775,CCC1C=C(C(C)(C)C)C=CCCC[NH2+]1,0,GDB ChEMBL
143153,CC1=CNCC(C(O)C(C)[NH3+])OC1=O,0,GDB ChEMBL
144522,COC(C)(C)C(=O)CCC1C[NH+](C)C1,0,GDB ChEMBL
228292,CCC(C)C1CC(O)C2C(C)CCC12,0,GDB ChEMBL
325256,CNC(=O)CC(C#N)OCCC1CCNC=[NH+]1,0,GDB ChEMBL
320479,CCC1CC2C3CC3C(C)C=CC2[NH+](C)C1,0,GDB ChEMBL
251836,CCC1COC(CO)C(O)C(C(C)[NH3+])C1(C)[NH3+],0,GDB ChEMBL
210417,NS(=O)(=O)CC1[NH2+]C(CO)CC2OC12,0,GDB ChEMBL
6036,O=C(CCO)C1CCOCC1,1,GDB ChEMBL
144582,CC1C(CO)CC([NH3+])C1OC=O,0,GDB ChEMBL
398186,C#CC1(C(C)CC(C)(C)C)C[NH2+]CC(CC)C1,0,GDB ChEMBL
129551,CC[NH2+]C1CC2=CCCCCC1C=C2,0,GDB ChEMBL
330562,C=CCC(CC)CC1CC1CCC,1,GDB ChEMBL
324019,C[NH2+]CCCNC(=O)Nc1cnsc1,1,GDB ChEMBL
262207,[NH3+]C1CC2(CC=CCCCC2)C1,0,GDB ChEMBL
340434,CC#CC(CC)C(C)CC(C)CCC(C)C,0,GDB ChEMBL
397050,CCC12CC(O)C(C(N)=O)C1O2,0,GDB ChEMBL
395113,COC1(C[NH3+])CC1(C)S(=O)(=O)NCCO,0,GDB ChEMBL
48071,CCOC(=O)C(C[NH3+])S(N)(=O)=O,1,GDB ChEMBL
289990,CC1C2Cc3ccccc3C3C=CCCC312,0,GDB ChEMBL
76472,CNC(=[NH2+])NC1(C)CC1,0,GDB ChEMBL
129445,CCCOC1C[NH+]=C(CC)NC(C)C(C)C1=O,0,GDB ChEMBL
264989,CCNC(=[NH2+])C(NC)C(CCCO)C([NH3+])CO,0,GDB ChEMBL
1102,CN=C1OC(C(N)=O)C(C[NH3+])N1C,0,GDB ChEMBL
330375,CCCc1ccc2c3c1OC1C(C2)C31,1,GDB ChEMBL
79292,C[NH2+]C1CC(C)CC([NH3+])C2CC12,0,GDB ChEMBL
84520,C[NH2+]C1C2CC(C)CC1(OC)C2[NH2+]C,0,GDB ChEMBL
288457,CC(=O)N1CC1C(O)C(NC=O)C(=O)[O-],0,GDB ChEMBL
138351,CCC([NH3+])C1CCCCC2C(=[NH2+])NCCN21,0,GDB ChEMBL
173852,CC1CCC2C[NH2+]C1C(C)c1ccsc1C2,0,GDB ChEMBL
352632,CCCC#Cc1c(C)c(Cl)cc(Cl)c1C,1,GDB ChEMBL
136522,C[NH2+]C1CC(C)C2CC=CCC([NH2+]2)C1CN,0,GDB ChEMBL
77483,CC([NH3+])C1C2(C#N)NC2C(O)C1(C)C(=O)[O-],0,GDB ChEMBL
263248,CCCN1C(=O)NCCC1C(N)S(=O)(=O)[O-],0,GDB ChEMBL
287340,CCOCC#CCCC=O,1,GDB ChEMBL
72392,CCC(C[NH2+]C)OC(N)=O,0,GDB ChEMBL
94900,C[NH2+]Cc1c(N)cnc2c1CCN2,0,GDB ChEMBL
130208,C#CC(c1cc[nH]c1)C1CCCC[NH2+]1,0,GDB ChEMBL
12748,CC(C)CC1CCC2(CC1)C(C)CC2C,1,GDB ChEMBL
366524,Cc1nn[nH]c1C(=O)NCC#N,1,GDB ChEMBL
165965,CCCC1CC2(C)CC2[NH+]1C1CC1,0,GDB ChEMBL
130868,C[NH+]=C1NCC2(C(N)=[NH2+])CC(C)C(O)CC2N1,0,GDB ChEMBL
227550,CC(=O)N(C=N)CCS(N)(=O)=O,1,GDB ChEMBL
341876,[NH3+]C(CO)C1NC(=O)C([NH3+])C1(O)C(=O)[O-],0,GDB ChEMBL
382548,O=CC1CNC(=O)C(C(=O)[O-])N1,0,GDB ChEMBL
44545,O=C1C[N-]C(=O)N1CC1[NH2+]CC1O,0,GDB ChEMBL
103468,C#CC(C)(C)C(O)(CCCCC)CC(C)(C)[NH3+],0,GDB ChEMBL
264969,CN(CC[NH3+])Cc1ccc(=O)oc1N,0,GDB ChEMBL
33237,CC(O)C1NC(=[NH2+])C1C(=O)NC(N)=O,0,GDB ChEMBL
255145,CC(CC(N)=O)(CC(=O)[O-])NC=O,0,GDB ChEMBL
65611,CCOC1C(CC)C(OC)C(C)(CC)C1C=O,0,GDB ChEMBL
24741,C[NH2+]CC(=O)c1cnccc1C,1,GDB ChEMBL
208217,COc1ncc(C[NH3+])nc1N,0,GDB ChEMBL
43556,CCCOc1n[nH]c2c(C[NH+](C)C)cnc-2n1,0,GDB ChEMBL
363253,CC1(C)NC(=O)C1C(=O)[O-],0,GDB ChEMBL
305208,CCCOCC1([NH+](C)C)CC(C=O)(CO)C1,0,GDB ChEMBL
65617,CN(C)S(=O)(=O)CCC([NH3+])C(N)=O,1,GDB ChEMBL
280009,COCC(C)(O)C1CCC[NH2+]1,0,GDB ChEMBL
146903,Cc1cc(Cl)cc2c1CC(C)CC(C)C(O)C2,0,GDB ChEMBL
280812,CNC1=[NH+]C(C)(C)CC1(CCO)C(N)=O,0,GDB ChEMBL
211104,CC1([NH3+])CNC1C(N)=O,0,GDB ChEMBL
330356,C#CCCC(C)(C)C(C#C)CCCCCCC,0,GDB ChEMBL
127525,CC(O)C[NH2+]CC(C)C1(C)CC(C)C([NH3+])CO1,0,GDB ChEMBL
99674,Cc1cc2n(c1)CC1C2CC2C[NH2+]C1C2C,0,GDB ChEMBL
50225,N#CC1CC1NC(=O)NC(=O)C(N)CO,1,GDB ChEMBL
355379,C#CCn1cncc1NC1=NC(C)CCO1,0,GDB ChEMBL
23557,CCC1c2ccc(Cl)cc2CC1(C)C(F)(F)F,0,GDB ChEMBL
11704,COC(=O)C1C2CNC(=[NH2+])N2C2CC12C,0,GDB ChEMBL
71276,C[NH+](C)C1(CC(N)=O)CCC2(CC2C#N)C1,0,GDB ChEMBL
79374,CNC(=O)C(=O)C12CN(C)C(CC1C#N)C2=O,0,GDB ChEMBL
115033,C#CCCN(C(C)=O)C1(C[NH3+])CC=CC1,0,GDB ChEMBL
389471,Cn1nc([N+](=O)[O-])cc1NC(C#N)CO,1,GDB ChEMBL
217719,CCOC1CC=CC2(CC2)C1,1,GDB ChEMBL
330354,C[NH2+]C1C(C)C1C(N)C(O)C(N)=O,0,GDB ChEMBL
132890,C#CC(O)(Cc1cscn1)CC(C)(C)C(C)C,1,GDB ChEMBL
350665,CCC1C(C)C2CC(C[NH2+]C)CCC(C)C1C2,0,GDB ChEMBL
385932,CCCCCC1(C)C2C=CC1C(C)=C2,0,GDB ChEMBL
196480,CC(O)C(C)(O)C(CC[NH3+])C(=O)N(C)CC[NH3+],0,GDB ChEMBL
48776,CN1C2C(NC(N)=[NH2+])C2(C)CS1(=O)=O,0,GDB ChEMBL
228857,CNC(=[NH2+])CC1CC(=O)C(C(C)C)C(OC)C1,0,GDB ChEMBL
374061,CC(C(N)=O)C1=NC(C(=O)[O-])C2(CCC2)N1,0,GDB ChEMBL
65640,C#CC#CC(C)c1ccc(NC)cc1C=O,0,GDB ChEMBL
135389,CCC(C)([NH3+])CC1CCn2cccc2NC1C,0,GDB ChEMBL
102159,CCCCCc1ccc(O)c(NC(N)=O)c1I,1,GDB ChEMBL
330398,CC1OC(N)=[NH+]C2CC([NH3+])CC(C)(O)C21,0,GDB ChEMBL
310777,CC1(C(N)=O)NCC(C(=O)[O-])C([NH3+])CC1[NH3+],0,GDB ChEMBL
181647,C#Cc1c(C)ccc(F)c1CC(C)(C)C#C,1,GDB ChEMBL
9830,CC1OC(=N)C2OC(=O)N(C)C3CC[NH2+]CC123,0,GDB ChEMBL
44573,CC1C(=O)C(C(F)(F)F)C2CCCC2N1C,0,GDB ChEMBL
318547,CCC[NH2+]CC(C)(C)OC(=O)NC=O,0,GDB ChEMBL
679,COc1nc(CC2CO2)nc2[nH]nc(N)c12,0,GDB ChEMBL
38224,CC12C3CCC(C3)c3cccc4c3C1C2C4,0,GDB ChEMBL
204452,CC1CC2OC1CC1C=CCCCC12,0,GDB ChEMBL
175830,C[NH2+]C1CC2CCC1(NCCO)C2,0,GDB ChEMBL
204408,CCOC(N)=NC(CCO)C[NH+]=CN,0,GDB ChEMBL
220161,CC(C#N)C(C)CC(N)=O,1,GDB ChEMBL
391468,CC1OC(=O)C(C(=O)[O-])NC1=N,0,GDB ChEMBL
338094,C#CC1Cc2cc(F)ccc2C[NH+]2CC2C1,0,GDB ChEMBL
201115,C[NH2+]C1(Cc2ccc(C)nc2C=O)CCCC1,0,GDB ChEMBL
133160,[NH3+]C1CC2CCC[NH+]2C2CC12,0,GDB ChEMBL
3975,O=C1NC(CCO)C2C3CCN2C13,0,GDB ChEMBL
240370,CC=CC1C([NH2+]C)CC2CC[NH2+]C21,0,GDB ChEMBL
120712,N=C1NC(CO)C2C(O)C(O)C(=O)N12,0,GDB ChEMBL
37658,CN1CC[NH+]=C1C(O)CC#N,1,GDB ChEMBL
338146,C#CC1(C)OCC2CCC(CCCC)CC21,0,GDB ChEMBL
16503,COC1(C)C(C)C[NH2+]C12CC2,0,GDB ChEMBL
291897,CCC1CC=C2CCCCC(C)C21,0,GDB ChEMBL
320758,CNc1c(C)oc2cc(C)nc(COC)c12,1,GDB ChEMBL
832,CNS(=O)(=O)C1C([NH3+])C1C(O)CCO,0,GDB ChEMBL
343230,CC1(CC=O)CCOC1,1,GDB ChEMBL
99856,C[NH+](C)CC12C=CCC(C1)C2,0,GDB ChEMBL
305069,CC(=O)N(C)CCCC[NH2+]C(C)(C)CN,1,GDB ChEMBL
361784,CC(=O)Cc1cncnc1CC(C)=O,1,GDB ChEMBL
358417,CCCC(C)(C)n1cnnn1,1,GDB ChEMBL
119257,COCC1C(O)C(=N)N1C(=O)C(C)C,0,GDB ChEMBL
376006,CNC(C[NH3+])C1(CO)CO1,0,GDB ChEMBL
355167,CCC(CC)[NH+](C)CC(C)(C)C,0,GDB ChEMBL
64342,CCC1CCC2CCCCC=C2C1,1,GDB ChEMBL
321395,CC12CC3CC1C2(CC(=O)[O-])C3O,0,GDB ChEMBL
136118,CCC1OC(=O)C(O)C(C#N)C1(C)N,0,GDB ChEMBL
374177,CC1(C)CNC(=O)NC(=N)N1C(=O)CC(N)=[NH2+],0,GDB ChEMBL
206797,CCC1NC(CO)C(=O)C1O,0,GDB ChEMBL
300435,CC1c2c(F)cccc2C(=O)CCC(O)C1C,0,GDB ChEMBL
318512,COCC12CC([NH3+])(C1)C(=O)N2,0,GDB ChEMBL
124166,CC1CCCCC2(C)C=CC(O)C(C1)C2,0,GDB ChEMBL
81534,CCCC(C)C1C2CC2CCCC1(C)C,0,GDB ChEMBL
259647,CC1=CCC2CCC(CC(=O)N2C)C1,0,GDB ChEMBL
186609,CC(CC#N)C(C)C1C(C(=O)[O-])N1C,0,GDB ChEMBL
81545,CC(C)C1CC2CC([NH3+])C(O2)C1C,0,GDB ChEMBL
136059,CC(O)C1C2COC1(C)C(O)CC[NH2+]2,0,GDB ChEMBL
309190,CCC(=O)c1c2c(c(C)n1CC)OCCC2C,0,GDB ChEMBL
85839,CC1CC(C(N)=O)C(C[NH3+])C2NC12,0,GDB ChEMBL
366535,C#CCC(O)C(=O)COC,1,GDB ChEMBL
67608,C=C(C)C1(COC(=O)CC)CN1C,0,GDB ChEMBL
359145,N#CCNC1C=CC(=O)NCC(O)C1,1,GDB ChEMBL
49144,CC1CC2OCCC(CC2O)C1C,0,GDB ChEMBL
172377,CC1C2C(=O)CNC(CO)C12,0,GDB ChEMBL
215455,CC1CC=CCC(C)(C)C(C)(C)CC=CC1,0,GDB ChEMBL
209725,C[NH2+]CC1CC(COC)C2[NH2+]C(C)C12,0,GDB ChEMBL
308711,[NH3+]C1CC12OC(=O)NC2C(O)C(O)CO,0,GDB ChEMBL
161799,CCC(=NC)N(CC)C(N)=O,1,GDB ChEMBL
215368,CC1COC2CN(CC(O)CO2)C(=O)C(=O)C1,1,GDB ChEMBL
257430,C#CCC(OC)C(C)C(C)(C#N)CC,0,GDB ChEMBL
103508,CC1OCC(C)(C)c2cccc(Cl)c2C1(C)C,1,GDB ChEMBL
42264,CCOC(=O)Nc1ncc(CC(C)=NO)nn1,1,GDB ChEMBL
115872,CC1C=CCC(C)(O)CCC1,1,GDB ChEMBL
103875,C#CC1CC2(CC)Cc3ccccc3C12C,0,GDB ChEMBL
148939,CC1CC2(C3CC3)C[NH+](C)C2CO1,0,GDB ChEMBL
303859,CCC(C)[NH2+]C1(CO)CC1COC,0,GDB ChEMBL
386476,C#CC1(O)CCOC(C(=[NH2+])NC)C1CCCC,0,GDB ChEMBL
201679,O=C1[N-]S(=O)(=O)C2CC(CO1)NC2=O,0,GDB ChEMBL
207002,C[NH2+]C1CCC2C=CCCC21C,0,GDB ChEMBL
107848,Cc1cc(C(CO)=N[O-])cc(O)c1C,0,GDB ChEMBL
4991,CC[NH+]=C(N)CCC1=CCCC(C)(C)C1,0,GDB ChEMBL
207694,CCC1=C2C(C)CC(NC(C)=O)C2CCC1,0,GDB ChEMBL
175899,CC(CO)C(=O)NC1C(C)C1(C)[NH+](C)C,0,GDB ChEMBL
173130,C#CC1(NC(CC)C[NH3+])CC1OC,0,GDB ChEMBL
394245,CC(OCCC[NH3+])C1CC1CO,0,GDB ChEMBL
54059,COC(C(C)O)C(O)C1CC1[NH3+],0,GDB ChEMBL
257980,Cc1cccc2c(C3CC3)c[nH]c12,1,GDB ChEMBL
182076,CCC1(C)C(O)C1OC(C)=O,1,GDB ChEMBL
225021,C#CC1CC12CCc1c(Cl)cc(C)cc12,1,GDB ChEMBL
169425,NC(=O)NC12CCNC1=NCC2OCCO,0,GDB ChEMBL
105090,COC(C(C)[NH3+])C1CC1C,0,GDB ChEMBL
249586,CCC(C)[NH2+]CC(C)(O)C=CC=O,0,GDB ChEMBL
255420,C[NH2+]CC1CC=CC=C(C#N)C(=O)N1,0,GDB ChEMBL
28997,CC1CC(CO)CN2C(C)C12,0,GDB ChEMBL
206853,C#CCCC1C(O)C2CCC1(C)C2(C)C,0,GDB ChEMBL
149334,O=C([O-])CCC1C2C(CO)OS(=O)(=O)N12,0,GDB ChEMBL
1117,CC[NH+](CC)CC(C#N)C1CO1,0,GDB ChEMBL
47660,O=C1CCC2C[NH2+]C(C(O)CO)C(N1)C2O,0,GDB ChEMBL
374873,CCCC1(C)OCCC(C)C1C1CC1,0,GDB ChEMBL
40863,CC(C)c1cn(CC[NH3+])c(NS(C)(=O)=O)n1,0,GDB ChEMBL
200964,CCCC1CC(CO)(C(C)(N)COC)[NH+]1C,0,GDB ChEMBL
227607,CCCCC1(CCC)CC=C(C)C1C,1,GDB ChEMBL
298182,C#CCCC12C(C)[NH2+]CC1C2(C)C,0,GDB ChEMBL
210988,CCC1C2C=CC(=O)OC1C(C[NH3+])=CCC2,0,GDB ChEMBL
230209,CC(C)(C)OCC[NH2+]C1CC[NH2+]CC1O,0,GDB ChEMBL
305509,C#CCC(C#CC)c1cccc(C)c1,1,GDB ChEMBL
298225,CC1CC2=CC(O)C3C(CN(C(N)=O)C1)C23,0,GDB ChEMBL
345820,C#CCCCC1CC(O)(CCCC)C1,1,GDB ChEMBL
201988,CCNC(=O)C(C)(CS(N)(=O)=O)C(C)=O,0,GDB ChEMBL
222128,CC(=O)C1C=CNC(=O)N1C,0,GDB ChEMBL
359178,COC1C(C)OC(S(N)(=O)=O)C1C(N)=O,0,GDB ChEMBL
104928,CC(=O)OCC1NCc2oc(NC(N)=[NH2+])cc21,0,GDB ChEMBL
27757,NC(N)=[NH+]C1(CO)CNC1=O,0,GDB ChEMBL
354459,C#CC(O)CCC1CCC(C)CC(C)C(=O)O1,0,GDB ChEMBL
24772,C#CCOC1CC(C)=CC2CCC(C2)C1,1,GDB ChEMBL
240472,CCc1cc([N+](=O)[O-])c(=O)on1,0,GDB ChEMBL
140329,CC(=O)CN1C(=O)CC2CC21C(=O)[O-],0,GDB ChEMBL
215479,CCC(=O)N1CC2CCC(=O)C3C1C23CO,0,GDB ChEMBL
111906,NC(=O)C1CNC(C(=O)OCCO)=N1,1,GDB ChEMBL
191723,C[NH2+]Cc1cc2cc(C(C)CCC[NH3+])oc2s1,0,GDB ChEMBL
129582,C#CC[NH2+]C(C)C1COC1C,0,GDB ChEMBL
325914,Cc1nc(=NCC(=O)[O-])[nH]cc1F,0,GDB ChEMBL
240039,C=C1C=C(COC)C2C1CC[NH+]2C,0,GDB ChEMBL
184518,CS(=O)(=O)CC1NC(=N)COC1=O,0,GDB ChEMBL
355799,CC1(C)Cn2ccnc2CN1,1,GDB ChEMBL
284301,Cc1nc(C=O)c(OCC#N)nc1N,1,GDB ChEMBL
6502,CC1C2[NH+](C)CC(O)C12C,0,GDB ChEMBL
344377,C=CC(=O)CC1(CC(=O)[O-])CCC1,1,GDB ChEMBL
109544,CCNC(=O)NC1CN2C(N)=[NH+]C3C2C13O,0,GDB ChEMBL
54081,CC1(C)CCc2c(F)ccc3cc(F)cc1c23,1,GDB ChEMBL
200707,CCCC([NH3+])CN(C)C(=[NH2+])NC,0,GDB ChEMBL
2143,C[NH2+]C1CC1CC1CC=CC1C,0,GDB ChEMBL
383784,CCC1CC2C(O)C(=O)CC2C1[NH2+]C,0,GDB ChEMBL
174911,C#CC1(CC)CCCCCC1=O,1,GDB ChEMBL
25999,C#CCC1(C)C2C=CC1N(C)C2=O,0,GDB ChEMBL
338553,CCC(CC(C)C)CC1CCC1(C)CC,0,GDB ChEMBL
398926,CCC1C(C)=CCC(C(C)NCC#N)C1C,0,GDB ChEMBL
380567,C#CCCNC(=O)N(C)CCN1CC1,1,GDB ChEMBL
103493,CCC[NH+]=C1NCC(C)(C)C1COS(N)(=O)=O,0,GDB ChEMBL
21691,CCC1COC2(C)C=CC(C1)C2,0,GDB ChEMBL
383924,CCNC(=[NH+]CC[NH2+]C)C(C)CC(=O)OCC,0,GDB ChEMBL
370355,C=CCCC(=O)N(C(C)=O)C(N)=O,1,GDB ChEMBL
16039,CCC(CC1CCC(=O)CC1)(OC)C(C)C#N,0,GDB ChEMBL
173740,C#Cc1ccc2c(c1Br)CCC2,1,GDB ChEMBL
221331,NS(=O)(=O)CC1(CO)C(O)C1C[NH3+],0,GDB ChEMBL
66191,CCCC(CC1Oc2nsnc2O1)OC,1,GDB ChEMBL
70170,CC1(C#CCO)CCS(=O)(=O)CC[NH+]=C(N)N1,0,GDB ChEMBL
314922,C[NH2+]CCOC1C(C#N)CC1COS(N)(=O)=O,0,GDB ChEMBL
181733,C#CC1(C)C(C)OC2CC(CCCCC)C1C2,0,GDB ChEMBL
15545,CNC1(CN)C(=O)N(C)CC1(CO)[NH+]=C(N)N,0,GDB ChEMBL
112543,Nc1nc(=O)cc(C(=O)[O-])c(N)[nH+]1,0,GDB ChEMBL
258259,CNC(=O)[N-]S(=O)(=O)C(O)CC(=O)[O-],0,GDB ChEMBL
195265,CC1CC(CNCC[NH3+])NS1(=O)=O,0,GDB ChEMBL
196712,CN1CC2(C(=O)[O-])C([NH3+])CC12,0,GDB ChEMBL
305078,CCC(C)(C)C(C)(O)CC(C)(C)C[NH2+]C(C)C,0,GDB ChEMBL
263855,COCCC[NH2+]CC1CO1,0,GDB ChEMBL
27817,CC1(CC[NH3+])OC2C(O)CC1C2O,0,GDB ChEMBL
12714,CCC1C(=O)[N-]S(=O)(=O)C(C)C1O,0,GDB ChEMBL
181172,CCC(CO)[NH2+]C(C(O)C#N)C1CCCC1C,0,GDB ChEMBL
216479,COC1CC2=C(CO1)Cc1cccc(Cl)c12,0,GDB ChEMBL
340421,C#CCC1C(=O)COC1CC,0,GDB ChEMBL
805,CC12C[NH2+]CCC1C1C(=O)CC=C1C2,0,GDB ChEMBL
383722,CCC(C)C1COC(C(N)=O)O1,1,GDB ChEMBL
195455,CC[NH2+]C(C(CCO)C(=O)C(C)=O)C(C)(C)C,0,GDB ChEMBL
279292,N#CC(N)COC1CC1,1,GDB ChEMBL
34382,CC(O)CC12OC1CC(CO)[NH2+]C2C,0,GDB ChEMBL
134785,O=C1CC23CCC(C2N1)N3CCO,0,GDB ChEMBL
143160,COC1(C(=N[O-])C(=O)[O-])OCC[NH2+]C1C,0,GDB ChEMBL
184492,C[NH2+]C1CC2(O)CC1C(C[NH+]=C(N)N)(OC)C2,0,GDB ChEMBL
122015,COC(=O)C1(CO)C([NH3+])C1C(C)[NH3+],0,GDB ChEMBL
37589,CC1CC(O)C2C(C[NH3+])C2(C)[NH2+]1,0,GDB ChEMBL
382215,CC[NH+](C)C1C=C2CC(C)(C)CC2C1,0,GDB ChEMBL
377310,C#CCC(C)C1CCC2(C)CC(C)C1C2CC,0,GDB ChEMBL
228404,[NH3+]CC1(CC2CC2)COC1CO,0,GDB ChEMBL
23939,C#CC=CCCCCCCC=CC,1,GDB ChEMBL
191514,CC1CC23CC(C[NH+](C)C)C1C2C3,0,GDB ChEMBL
190392,C#Cc1cc(C)c2c(c1)CC(CC)C2(C)C,1,GDB ChEMBL
203491,CCCNS(=O)(=O)C(=NCC)NCC,1,GDB ChEMBL
68611,N#CC(=N[O-])C1C(=O)CC([NH2+]CCO)C1=O,0,GDB ChEMBL
284742,N#CC(CO)C1COCC1C[NH3+],0,GDB ChEMBL
199470,CCC1CC2CC(O)(CCCCCO2)C1,1,GDB ChEMBL
203844,C#CCCOCCNC(N)=O,1,GDB ChEMBL
232119,CCC12C(C#N)NCC[NH+](C)C1C2C,0,GDB ChEMBL
24754,CN(C(=N)OCC[NH3+])C(=O)CCCO,0,GDB ChEMBL
119660,CCC1C2CCC[NH+]1CC1CCCC(C)C12,0,GDB ChEMBL
173924,C[NH2+]CC1(C(=O)[O-])C2COC1C2C,0,GDB ChEMBL
26313,C#CC1(C#C)Cc2c(Cl)ccc(Cl)c2CC1[NH3+],0,GDB ChEMBL
175583,NC(=O)C(O)C1OCCN=C2NC1C(CO)O2,0,GDB ChEMBL
362224,CCC1COC(CC2CO2)(C(=O)OC)C[NH2+]1,0,GDB ChEMBL
366035,Cc1cc2cc(c1Cl)CC#CC=CCC2,1,GDB ChEMBL
280472,CC1=CC2CCCC13OCC2C3O,0,GDB ChEMBL
363182,C[NH2+]C1C(C=O)C(C)C2CCCC21,0,GDB ChEMBL
17315,COc1ccc(F)c(CN(C)C)c1C[NH3+],1,GDB ChEMBL
22059,C#CCC(C)(CC)COC(C)(C)C[NH2+]C,0,GDB ChEMBL
341190,CC1(C)CC2OCC(NCC1=O)C2(C#N)C=O,0,GDB ChEMBL
112456,C=CC(=C)c1c(Cl)cccc1CC,1,GDB ChEMBL
307861,COC1C[NH+](C(C)C)CC12OCC2O,0,GDB ChEMBL
122934,CNc1[nH+]ccc(N)cc(CC#N)nc(=N)s1,0,GDB ChEMBL
258217,CCCC1(C(C)C)COCc2[nH]ccc2C1=O,0,GDB ChEMBL
202459,CC1CC(C)(CCCCNS(C)(=O)=O)C1,1,GDB ChEMBL
45083,C[NH+]1CCOCOCC(N(C=O)CC#N)CC1,0,GDB ChEMBL
235928,CC(CC1CC1)[NH2+]C1(CN)CCC1,0,GDB ChEMBL
15563,C[NH2+]CC1C2C3CC(C)C(C3)C12,0,GDB ChEMBL
147959,CC1CC(CO)CC2C=CCC12,0,GDB ChEMBL
148530,N=c1nnc(NCC([NH3+])CC(=O)[O-])cs1,0,GDB ChEMBL
185290,CC(O)C(C[NH3+])OCC1(C)OC1CC[NH3+],0,GDB ChEMBL
40903,NS(=O)(=O)CC([NH3+])CNC1C(O)C1O,1,GDB ChEMBL
148557,C#CC1CC(C)C2CCC(C)CC2C[NH+]1CC,0,GDB ChEMBL
115894,CCOC1CCC2C=CC3CC3C2C1,1,GDB ChEMBL
288508,CCC1(COC(C)C)CCC(C)(O)CC1,1,GDB ChEMBL
288928,CC12CCCCCCC(CC1)C2(C)C,0,GDB ChEMBL
244476,N=C(c1nccc(N)n1)N(C=O)CCO,1,GDB ChEMBL
148232,C=C1CC(C)(OC)C=CCC1C[NH3+],0,GDB ChEMBL
362795,CC1NC(=O)OC1(CO)C(N)=[NH2+],0,GDB ChEMBL
174178,CCC(C)CC(CC)CC1C(C)CCC1(C)C,0,GDB ChEMBL
214704,CCCOC(CC)C1(O)CC(=[NH2+])N(C)C1,0,GDB ChEMBL
184273,CNC(=O)C(CC[NH3+])OC,1,GDB ChEMBL
173909,CN(C=O)C(=O)NCC[NH3+],1,GDB ChEMBL
176418,C=C1C=C(C)C(C)(CC)C1C[NH2+]C,0,GDB ChEMBL
239360,Cc1cc(CC(C)C)c(Cl)cc1O,1,GDB ChEMBL
300234,CCc1c(F)ccc(C)c1Nc1cn(C)cn1,1,GDB ChEMBL
193806,CC1COC(=O)c2sccc2OC(=O)O1,1,GDB ChEMBL
93713,CC(O)C(OC(N)=O)C(N)C(N)C[NH3+],0,GDB ChEMBL
124109,Cc1nc(O)n2c1CC(O)CC2(C)C,0,GDB ChEMBL
248207,CCC(=NC)NC(=O)C[NH+]=C(N)N(C)C,0,GDB ChEMBL
192609,CNC(CO)(CO)C(C#N)CO,0,GDB ChEMBL
87663,CC1CC2CCC1(C(=O)[O-])CC1C(C[NH3+])N21,0,GDB ChEMBL
184260,CCCC1[NH2+]C2CC2(C)C1CC(C)CC,0,GDB ChEMBL
257552,NC(=O)C1C(CO)OC(=O)C1(O)c1ncco1,0,GDB ChEMBL
244530,CC(CCO)CC1(C)C(C)NCC[NH+]1C,0,GDB ChEMBL
97190,CC1C2CC([NH+]=C2N)C1C(N)=O,0,GDB ChEMBL
277109,CC(=NO)C1(C)OC1CC(=O)[O-],1,GDB ChEMBL
280291,CCCC1=CCC(=[NH2+])N(C)CCCC1,0,GDB ChEMBL
308323,C=C(C)C1CC1C1[NH2+]C2CCC1C2,0,GDB ChEMBL
344327,CNc1ncnn2cnc(N)c12,1,GDB ChEMBL
314151,Cc1cc(Cl)c2c(c1)cc1n2CC1C[NH3+],0,GDB ChEMBL
315172,CCc1n[nH]c(C)c1NC(C)=O,1,GDB ChEMBL
332474,Nc1onc2c1CCC(=O)N2,1,GDB ChEMBL
192549,Cc1cc(I)c2c(c1I)CCNC2=O,1,GDB ChEMBL
191562,[NH3+]C1CNC2CC3OC2OC(=O)C13,0,GDB ChEMBL
127624,Cc1ccc(C[NH2+]CC(C)O)nc1C#N,0,GDB ChEMBL
263405,CCc1c(Br)cc(CC2(C)CC2)cc1OC,1,GDB ChEMBL
44592,CC1C=C2C([NH3+])CCCC2C1CC[NH3+],0,GDB ChEMBL
35441,CC(C)OCc1ccc2c(c1)CC1CC2C1,1,GDB ChEMBL
144500,C#CC1(O)CC(O)C([NH3+])C(C[NH3+])C1CC,0,GDB ChEMBL
70926,CCCOC(=O)C(=O)CNC(=N)S(N)(=O)=O,0,GDB ChEMBL
394351,COc1noc(CN(C)C(C)=O)c1[O-],0,GDB ChEMBL
73254,CC#Cc1ccc(NC=O)nc1,1,GDB ChEMBL
161412,C#CCNC1(C([NH3+])CC(C)[NH3+])COC1,0,GDB ChEMBL
12836,[NH3+]CCc1n[nH]c2cc(O)nc(F)c12,0,GDB ChEMBL
95626,C[NH2+]C(C)C(C)C1C(COC)CC1([NH3+])CO,0,GDB ChEMBL
98581,OC1CCC2CN(C1)C1C(O)C[NH2+]C21,0,GDB ChEMBL
345479,CC12OCC1([NH3+])CC(OCC(=O)[O-])C2O,0,GDB ChEMBL
368157,C#CC(C#N)C(C#CC)CNC(=O)C1CC1,0,GDB ChEMBL
76072,CC1OC2C(=O)N(C(=N)N)C3CC1C23,0,GDB ChEMBL
126885,C#CC1=C(C)CC(C)(C[NH3+])C1CCCC,0,GDB ChEMBL
387249,CC(C)C1CC2CC1[NH+](C)CC2(C)C#N,0,GDB ChEMBL
148222,COCC12CC(CC(=O)c3ccnn31)C2,0,GDB ChEMBL
43557,NC(=O)C1OC1C1CC(O)C[NH2+]1,0,GDB ChEMBL
109479,[NH3+]C(CO)C1(O)C(C(=O)[O-])OC(C(=O)[O-])C1O,0,GDB ChEMBL
48072,CC1C(C)C12Cc1ccc(I)cc1C2,1,GDB ChEMBL
184504,CC1CC2CCC3(C)CC[NH+]1C23,0,GDB ChEMBL
251918,C[NH2+]C1(C)CC1Cc1cncc(C)c1,0,GDB ChEMBL
76427,CCC1C=CC(COC)(C(N)=O)[NH2+]1,0,GDB ChEMBL
37662,COC1CCC2C[NH2+]C(C)C1(C)C2,0,GDB ChEMBL
292316,C=CC1C2CC(CC[NH+]1C)CC2C,0,GDB ChEMBL
80238,C[NH2+]C1(CN(C)CC#N)CC(C)C1,0,GDB ChEMBL
71422,CCC(C[NH2+]C)C1C=CC2(C)C(O)C12,0,GDB ChEMBL
85829,CC(O)CNC(=O)C#CC(O)(C#N)CO,1,GDB ChEMBL
277560,C#CC1[NH2+]CCCC2(C3CCC2CC3)C1CC,0,GDB ChEMBL
281972,CCCCC1(C)CCCC(CC)CC([NH3+])C[NH2+]1,0,GDB ChEMBL
140352,C#CCOCC1=CCC(C)[NH+]2CC1C2,0,GDB ChEMBL
258278,CN1C(CCO)C2(C#N)C(=O)CC(O)C12,0,GDB ChEMBL
234446,CCC([NH+](C)CC)C12CCCCC(C)(C1)[NH2+]C2,0,GDB ChEMBL
322899,C[NH2+]Cc1cscc1COC,1,GDB ChEMBL
271502,CC(=O)OCCn1cc(O)cc1C,1,GDB ChEMBL
186549,C#CC(C=O)C(CC)CC1CC=CCCC1,0,GDB ChEMBL
134426,CCCC1C2C[NH2+]C1C2(C)OC(=O)CN,0,GDB ChEMBL
123052,C#CC1CCCC(OC)(C(C)(C)C(F)(F)F)C1,0,GDB ChEMBL
249877,NC(=O)CN1CCCOCC(O)C1=O,1,GDB ChEMBL
177333,C1CCN2C3COCC32CC1,0,GDB ChEMBL
389598,CNc1ncn(C2CCC(OC)OC2)c1C,1,GDB ChEMBL
209492,NC(=O)OCCOc1ccon1,1,GDB ChEMBL
26925,CCOC1CC=C(CC(C)(C)C)C=CCC1,0,GDB ChEMBL
228888,CC1C(O)CS(=O)(=O)C2CC(C(N)=O)[NH2+]C12,0,GDB ChEMBL
311023,CCCCC=CCC(CC)=C(C)C,1,GDB ChEMBL
6139,CC1(C)C2CC3C1N3C2C(=O)[O-],0,GDB ChEMBL
99678,Cc1ccc(Br)c(C2OC2C)c1N,1,GDB ChEMBL
354323,CN(CCS(N)(=O)=O)C1C(O)C1(C)[NH3+],0,GDB ChEMBL
5881,CC[NH2+]CC1(C(C)C(C)=O)CC1,0,GDB ChEMBL
204484,N#CC1CNC1(CO)C(N)=O,0,GDB ChEMBL
260532,CCC(N)=[NH+]CC(N)(C#N)CS(N)(=O)=O,0,GDB ChEMBL
380550,C#Cc1c(OCC)c(C)c(N)c(F)c1C(N)=[NH2+],0,GDB ChEMBL
339285,C[NH+]1CC2CC(O)C(O2)C1C(=O)[O-],0,GDB ChEMBL
358444,CC12Cc3ccccc3C=CCC1C2,1,GDB ChEMBL
391725,NC(=O)CCC1CC(=O)OC=N1,0,GDB ChEMBL
333917,CC1(O)CC=CC1(NCCC#N)C(=O)[O-],0,GDB ChEMBL
288946,CC(CC(=O)[O-])[NH2+]CC(C)(C)S(N)(=O)=O,0,GDB ChEMBL
29498,COC1C2OCCNC2(CO)C1C(N)=O,0,GDB ChEMBL
67606,COC(CO)C1(C)CCC1=O,1,GDB ChEMBL
222927,Oc1nc2c(s1)NCCC(c1cccnc1)C2,0,GDB ChEMBL
214753,CCCC(C)C1CC=CC12C=C(C)CC2,0,GDB ChEMBL
246371,C#CC(C)C1([NH3+])CN(CC(O)CC[NH3+])C1,0,GDB ChEMBL
338865,CC(=O)N(C)C12CS(=O)(=O)N(C)C1C2C,0,GDB ChEMBL
290156,COCC(C)=CC[NH2+]C1(C)CCC1,0,GDB ChEMBL
126854,C[NH+]=C(N)C(CCNC(=[NH2+])CC(=O)[O-])=NO,0,GDB ChEMBL
177878,CCN1C(=O)C([NH3+])C2C1C2(C)C,0,GDB ChEMBL
216136,C[NH2+]C(C=O)C1OC1C(O)C(O)CO,0,GDB ChEMBL
308234,CC(=O)CCC1NC(N)=[NH+]C1C,0,GDB ChEMBL
41065,CC1=CC(C)C2CCC[NH+]2CCCC(C)=C1,0,GDB ChEMBL
277795,CN(Cc1ncccc1O)C(C)(C#N)CC=O,1,GDB ChEMBL
277750,C=CC(=C(C)C(C)=O)C(C)(C)CC,0,GDB ChEMBL
360972,[NH3+]CCC#Cc1ccocnccn1,0,GDB ChEMBL
372532,CC1CC(C[NH3+])CC(O)C(C)(O)CCC1(C)O,0,GDB ChEMBL
204694,C#CC1[NH2+]C2CC(O)C1C2(C)C=C,0,GDB ChEMBL
1946,CCC(C)(O)C(=O)C(O)CC(C)(C)COC,0,GDB ChEMBL
126872,CCC[NH2+]C1Cc2nc(C)n3c2C2C(C3)C12,0,GDB ChEMBL
136167,C[NH+]1CCC2C(C1)OC1C(O)C21,0,GDB ChEMBL
358287,CN(C)C1C(O)C2CCNC(=[NH2+])C1(C(N)=O)N2,0,GDB ChEMBL
146064,CCCCC1(C)C2C3CCC(C3C)C21,0,GDB ChEMBL
181700,CCC(CC)C1C(C(C)C)CCC(C)C1(C)C,0,GDB ChEMBL
324265,C[NH2+]CC1C(CCO)NC(=O)C2OC21,0,GDB ChEMBL
119695,C[NH2+]C1(C(=O)[O-])C2CS(=O)(=O)NC21,0,GDB ChEMBL
255359,C#CCC1CC2(C)C(C[NH+](C)C)C2(C)C1,0,GDB ChEMBL
318506,CC(=CN(CCC#N)C(N)=O)C[NH3+],0,GDB ChEMBL
284410,COCCN1CC(C=O)C2(C(O)CO)CC12,0,GDB ChEMBL
120873,CN(C)CC1[NH2+]C2CCC1(C)C2O,0,GDB ChEMBL
148745,CC(O)C1C(N)C1([NH+]=C(N)N)C(=O)[O-],0,GDB ChEMBL
93472,CC#CCC[NH2+]CC=CC1CCC1,0,GDB ChEMBL
29778,CCC1C(=N)Nc2ncsc2C(=O)NC1C[NH3+],0,GDB ChEMBL
119975,CCC1c2ccccc2C(C(C)(C)C)C1CC,0,GDB ChEMBL
204457,[NH3+]CC1CCc2cc(O)nc(O)c2O1,0,GDB ChEMBL
246936,COCCC1C(=O)OC1c1ncc(Br)cn1,1,GDB ChEMBL
244464,CCCCC(OCC#N)C(O)(C=O)C=O,0,GDB ChEMBL
119230,CC1C2c3cccc(Cl)c3C(C)(C)C12C,1,GDB ChEMBL
345441,COC1C2NC(=O)C3N(CCN)C(N)=[NH+]C213,0,GDB ChEMBL
334669,CCC(=O)C(=O)[N-]C(=O)OCC=O,0,GDB ChEMBL
714,CCC1C(=O)N(C)C(=N)C(C)C1(C)C(=O)CO,0,GDB ChEMBL
31311,N=C(CC([NH3+])CO)NC(=O)C[NH3+],1,GDB ChEMBL
241108,N=C(N)N(C=O)CCCCO,1,GDB ChEMBL
263184,N#CC1CC(C(=[NH2+])NCCO)C(=O)O1,0,GDB ChEMBL
263239,CCC1=CC(C)(CC2CC2)CCC1,1,GDB ChEMBL
176419,CC1COC(C)C(C)(C[NH3+])OC(=O)CC1[NH3+],0,GDB ChEMBL
34717,CCC(CCCC=O)[NH+]=CN(C)CC,0,GDB ChEMBL
294753,C#CC1(O)CC(CCOC)(COC)C1,1,GDB ChEMBL
179331,O=C1CCCCOCc2cc(ncc2Br)NC1,1,GDB ChEMBL
147394,CC1CC=C(CCC(F)(F)F)CCCC1[NH3+],0,GDB ChEMBL
13171,C#CC1(C)C(CCC)C1CC(C)CC[NH3+],0,GDB ChEMBL
334722,CC(CO)[NH+]1CCCNC(=[NH2+])C1,0,GDB ChEMBL
182468,N#CC1NC2CCCC1NC2=O,0,GDB ChEMBL
171841,N#Cc1cc2n(n1)CCOCCC(=[NH2+])N2,0,GDB ChEMBL
362191,CN(Cc1[nH]nc(N)c1C#N)C(N)=[NH2+],0,GDB ChEMBL
45949,C#CC(C=C)C(C)=CCC(C)CC,1,GDB ChEMBL
76923,C[NH2+]C1(C)CCC2CC1NC(=N)NC2=O,0,GDB ChEMBL
177871,C#Cc1ccc(=[NH+]C)[nH]c1,0,GDB ChEMBL
93423,CC1(C)C=CC#CCc2ccc(cc2)C1,1,GDB ChEMBL
239402,CC1=CCC(=O)OC1C=CCCO,0,GDB ChEMBL
358137,CC1NC2(CO)C(C#N)[N-]C(=O)C2C1O,0,GDB ChEMBL
177148,CC1OC23C(=O)NCC2C1CC3O,0,GDB ChEMBL
8706,CCC1CC(c2cc(C)cc(Cl)c2)CC1CC,1,GDB ChEMBL
23959,CC1CCC(C)(C)C2CCCC2C(C(C)C)C1,0,GDB ChEMBL
194459,CCCC([NH3+])C(C)C(C)(O)C1CC1,0,GDB ChEMBL
34274,CCC1(C)C2CCC1(C)[NH+](C)C(C)C2C,0,GDB ChEMBL
208538,CCCCC(=O)C(C)CCC(C)CC(C)C,1,GDB ChEMBL
273429,CNc1c2c(c3sccc3c1Cl)CC(C)CC2,1,GDB ChEMBL
115594,CS(=O)(=O)Cc1ccccc1,1,GDB ChEMBL
115198,CCC[NH+](C)C1CCC(O)CC(C)C[NH+]=C1N,0,GDB ChEMBL
10570,CCCC(C)C(O)C#CCCCCO,1,GDB ChEMBL
112390,C#CCCCCC(C)Oc1cc(C)ccc1Br,1,GDB ChEMBL
146042,CC1(C)C2CC=C(C=O)C1C2,1,GDB ChEMBL
370271,CCC(C)(C)C1(CC)CCC(CC(C)C)CC1,1,GDB ChEMBL
160849,CCC(=O)N(CC[NH3+])C(=O)C(N)C([NH3+])CC[NH3+],0,GDB ChEMBL
254242,C#CC(O)(CO)Cn1c(NC(N)=[NH2+])c[nH+]c1N,0,GDB ChEMBL
269374,N#CC(=O)N1CCCc2c[nH]nc2C1,1,GDB ChEMBL
146890,CC1CCCC(N2CC2CO)C1C[NH3+],0,GDB ChEMBL
111893,COC(=O)C1NCC1C(O)C(O)C#N,0,GDB ChEMBL
206940,CCCCCCc1cnc(C(C)(C)C)cc1Br,1,GDB ChEMBL
265540,C#CC1(C(C)C)C(C(C)C)CCC[NH+]1CCC,0,GDB ChEMBL
84974,[NH3+]C1C2CCC(CS(=O)(=O)[O-])C1C(=O)N2,0,GDB ChEMBL
280642,CC1CCCC1C1CC(=O)NC1C,0,GDB ChEMBL
302332,CCC1(CC[NH2+]C)C(=NO)C(O)C1C(C)=O,0,GDB ChEMBL
302622,COC(=O)C(NCC(N)=O)C(=O)[O-],1,GDB ChEMBL
119288,CC1C=CCC2(C)CCCC(CC1)C2,1,GDB ChEMBL
79513,C=CCC(C)C(CC(C)C)=C(C)C,0,GDB ChEMBL
304424,CCCC1CN(C=NC)C1=O,1,GDB ChEMBL
181417,C#CCCC(C[NH+]1CCC1)OC,0,GDB ChEMBL
46864,CCC#CC([NH2+]CC)C(C[NH3+])C(C)(C)C,0,GDB ChEMBL
93102,CC1=CC2CCCC=CC2(C[NH2+]CCO)C1,0,GDB ChEMBL
66663,CC(C=O)C(C)(CCCO)C1C[NH2+]1,0,GDB ChEMBL
217133,CCC1CC2[NH2+]C1CC2C,0,GDB ChEMBL
280709,COC12C(C(=O)[O-])OC(C(N)=O)C1C2O,0,GDB ChEMBL
33851,CC(C)CC1CC2CC(C1)C(C)(C)C2,1,GDB ChEMBL
316284,CC1C[NH+]2CCCC(CCCC3COCC32)O1,0,GDB ChEMBL
132658,CC1=CC(C)C2(CO2)CC([NH3+])C1,0,GDB ChEMBL
347899,NC(=O)C(N)C(O)C1NC(=[NH2+])OCC1(O)C[NH3+],0,GDB ChEMBL
363806,C#CC(O)CCC[NH+](C)CC(O)C1CC1,0,GDB ChEMBL
398903,CC1CC1c1ncccc1C1CO1,0,GDB ChEMBL
5905,NC(=[NH2+])C12CNC(=O)CC(CN1)CC2O,0,GDB ChEMBL
210432,COCCCc1oc(N(C)C)nc1OC,1,GDB ChEMBL
94713,CC1C2CN3CCOC(O2)C13,0,GDB ChEMBL
24747,NC(=[NH2+])NC1=[NH+]C(C(=O)[O-])C(O)CN1,0,GDB ChEMBL
47702,CCCC(COC)Oc1c[nH]c(=N)nc1CO,1,GDB ChEMBL
343944,CC12CC3CCCCC[NH+]3CC1(C[NH3+])CCO2,0,GDB ChEMBL
345734,CC1CCC2CCC3C(C1)[NH+]3CC2,0,GDB ChEMBL
121068,N#CCCCC12C[NH2+]CC(OC1)C2O,0,GDB ChEMBL
33899,CC(=O)OC1CC2c3c(F)cccc3C1C2C,1,GDB ChEMBL
38161,CCC([NH3+])(CCCO)CCCC1CC1,0,GDB ChEMBL
192560,CCC1(C)CC2CC(C)C(O)C([NH3+])C2O1,0,GDB ChEMBL
269162,CCc1c(C(C)(C)OC)c(C)c(C)c(=O)n1C,1,GDB ChEMBL
298042,CC(C)c1cn[nH]c(=O)c1S(N)(=O)=O,1,GDB ChEMBL
294786,CC1CN(C(N)=[NH+]C(C)C)C2(C1)CC(O)C2,0,GDB ChEMBL
358295,C#CCCc1cc(F)c(CCCC)c(C)c1F,1,GDB ChEMBL
392240,CC(=O)NCCCc1cc(C=O)ncn1,1,GDB ChEMBL
244543,Cc1cc(C)c(C(C)(C)[NH2+]C2CC2)c(I)c1,0,GDB ChEMBL
132715,CCCCNC(C[NH3+])CC[NH3+],0,GDB ChEMBL
227254,Cc1cc(I)c2c3c(nccc13)NC=C2,0,GDB ChEMBL
238011,COCC1[NH+]=C(N)NCC1=NO,0,GDB ChEMBL
50261,Cc1c[nH+]cc(C(C)CC(C)C)c1N,0,GDB ChEMBL
139789,CC1(O)CCCCCCS(=O)(=O)NC1,1,GDB ChEMBL
9731,NS(=O)(=O)CNc1ncccn1,1,GDB ChEMBL
107629,CCC(=NO)C(O)C(O)CO,1,GDB ChEMBL
228906,CCC1CC2c3ccccc3C(C)(C1)C2CC,0,GDB ChEMBL
375149,C=C1CCC2CC(C)C1C2(C)CC,0,GDB ChEMBL
34426,C[NH2+]C(C(O)C(=O)[O-])C(C)S(=O)(=O)[O-],0,GDB ChEMBL
203791,CC1C[NH2+]C(C)CC[NH2+]C(C)C1,0,GDB ChEMBL
237969,CC1CNS(=O)(=O)CC2OC1C(O)C2O,0,GDB ChEMBL
284399,NC(=O)C1(C(=O)[O-])OC1C[NH+]=C(N)N,0,GDB ChEMBL
261433,OCCN1CC(C[NH+]2CCC2)C1,0,GDB ChEMBL
251940,CN1C(=O)C2C([NH3+])C21C(=O)[O-],0,GDB ChEMBL
218535,[NH3+]C1CCS(=O)(=O)NC2C([NH3+])C2NC1=O,0,GDB ChEMBL
177205,CCC(O)C(O)C1C(=O)NCCNS1(=O)=O,0,GDB ChEMBL
252309,CC[NH+]1CC(C#CC(O)CO)(CC)C1,0,GDB ChEMBL
194290,CN1CC(=O)CC(=NO)CC2NC(=O)CC21,0,GDB ChEMBL
66156,CC(=N)NC(=O)C(N)C(C)(C)C[NH3+],0,GDB ChEMBL
334035,C=CC1CNCC(=O)N1C1C[NH2+]C1,0,GDB ChEMBL
165638,Nc1ccccocc(CCO)c1O,0,GDB ChEMBL
204525,Cc1cc(Cl)cc2c1C(C)C1CCC21,1,GDB ChEMBL
152043,COC(C)C1(C)CCCCCC1C,1,GDB ChEMBL
234265,N=C1NS(=O)(=O)C2CC2C(CC(=O)[O-])O1,0,GDB ChEMBL
148205,CC1CCCCC1C1C([NH3+])C1O,0,GDB ChEMBL
108740,CC1(CC[NH3+])CN1C1CCOC1,0,GDB ChEMBL
398219,CC(C)C1OCCN2CCOC(C2)C(CO)O1,1,GDB ChEMBL
171837,COC(C)Cc1c(C)cc(C)nc1CC(=O)[O-],0,GDB ChEMBL
294207,CCCS(=O)(=O)N1CCCN=C1C(C)O,1,GDB ChEMBL
363824,CC1=CCC2CCCC(C1)C(C)(C)C2,0,GDB ChEMBL
79256,CC12CCCCCN(CCC#N)C(C1)C(=O)C2,0,GDB ChEMBL
98621,N#CC(CC(CC[NH3+])CC[NH3+])OS(N)(=O)=O,0,GDB ChEMBL
308705,C#CCC1COCC1CNC(=[NH2+])NCCCC,0,GDB ChEMBL
319314,CCc1ccc(I)cc1C1COC1C,1,GDB ChEMBL
129596,CC1(CO)NC=[NH+]C1C(=O)[O-],0,GDB ChEMBL
295900,CC(=O)Cn1ncc2c1N(CC(=O)[O-])CC2,1,GDB ChEMBL
288161,COCCc1c(Cl)ccc(Cl)c1NC(C)(C)C,1,GDB ChEMBL
218564,COC(=O)C1(C(=O)[O-])C([NH3+])CN2C(=O)OCC21,0,GDB ChEMBL
263183,C=CCCC1OC1C1C=CC[NH+]1C,0,GDB ChEMBL
203571,N=C1NC2c3ncsc3CNC(C(N)=O)C2O1,0,GDB ChEMBL
115209,CN1CC(C2OC2S(N)(=O)=O)NC1=O,0,GDB ChEMBL
108123,CC1C(O)CN(C=O)CC(O)C1[NH3+],0,GDB ChEMBL
312568,CCS(=O)(=O)c1c(C#N)nn(C)c1[O-],0,GDB ChEMBL
363529,CCC1C=CC2CC(C)(C[NH2+]1)CC2C,0,GDB ChEMBL
175900,C=CCC1CC1CC=C(C)CCC,0,GDB ChEMBL
203875,CCC1(C(=O)[O-])C2CC1(C)C2,0,GDB ChEMBL
21708,CC(O)C([NH3+])C(C)N=C(N)NS(C)(=O)=O,0,GDB ChEMBL
94747,COC(=O)C(N)CC1CC(O)(C[NH3+])C(N)=[NH+]1,0,GDB ChEMBL
284898,COCCCC1=CCCCC(C)=C1,0,GDB ChEMBL
97149,CCC1(C2C(O)CCC2NC=O)CC1,0,GDB ChEMBL
362961,CCC1C=C(C(=O)[O-])C(=NO)C1OC,0,GDB ChEMBL
338261,CC1(C)CCC2c3cccc(F)c3C3NC231,0,GDB ChEMBL
131911,CC1=C2CCNC(=O)C=CC1(C)OCC2,0,GDB ChEMBL
136510,N#Cc1c(CC[NH3+])c2c(sc1=O)CNC2=O,0,GDB ChEMBL
111582,N#Cc1nc(=O)[n-]nc1OCCO,0,GDB ChEMBL
297009,CC1C2(C)CCCC(CCC[NH3+])CC12C,0,GDB ChEMBL
82166,CCCC1C(=O)CCOC1C[NH2+]C,0,GDB ChEMBL
39992,COC1C2OC(C(=O)[O-])C(O)(C[NH3+])C12,0,GDB ChEMBL
129570,CCc1ccn(C(C)CC(=O)CO)c1,1,GDB ChEMBL
47374,CC1=CC[NH+](C)C(C)(C)CC1,0,GDB ChEMBL
363535,COC1C2CC(C)CC(O)(C2)C1(CN)[NH+](C)C,0,GDB ChEMBL
197048,CCC1CC2C=CC1C(C)(O)C2C#N,1,GDB ChEMBL
126905,CCC1(C)C(C)C2CC(OC)C1C2C,0,GDB ChEMBL
349609,CN1CC(C)(C)N(C(N)=O)C(CO)C1=O,1,GDB ChEMBL
320763,CC1OC(=O)C2CC2C1CO,1,GDB ChEMBL
21717,C#CCCCC(CCC)(CCCC)OC(C)C,1,GDB ChEMBL
59627,Nc1ccnc(=NCC(C[NH3+])CCO)c(O)c1,0,GDB ChEMBL
67327,N=CN(C=[NH2+])Cc1cc(O)c(F)c(O)c1,0,GDB ChEMBL
393914,CC1CC2CCCC2C2(C)CC(=O)C1C2,0,GDB ChEMBL
377287,CC1=CCc2ccnn2CC1,1,GDB ChEMBL
67815,CC1[NH2+]CCCC2C1[NH+](C)C(C)C2(C)O,0,GDB ChEMBL
83478,CCCC(C)CC(C)(O)C1CC1CC,1,GDB ChEMBL
9848,C[NH2+]C(C=O)C1CC(=O)NC(N)=NC1C,0,GDB ChEMBL
76744,CC(C)CC1C([NH3+])C(O)C(O)CCC1(N)C#N,0,GDB ChEMBL
394365,CCC1C2C[NH2+]C(C=O)CC12,0,GDB ChEMBL
212608,CC#CC(N)(C#N)C(C)C(O)C[NH2+]C,0,GDB ChEMBL
252596,C#CC(C)C(C)CC(C[NH2+]C(C)C)OC,0,GDB ChEMBL
337987,CC1CC2C[NH+]1C1CC(O)CC(C)(C)OC21,0,GDB ChEMBL
298254,CCN1C(=O)C(=O)C2NC2C1CO,0,GDB ChEMBL
398839,CCCOCc1[nH]c(C(C)[NH3+])c(C)c1CCC,0,GDB ChEMBL
197088,CC1=CCC2C3CCC(C2C1)[NH+](C)CC3C,0,GDB ChEMBL
22318,COC1(C)CCCOCC1,1,GDB ChEMBL
128315,NC(=O)NCC([NH3+])C(O)C1CO1,0,GDB ChEMBL
136058,CCOC(C(C)CC(C)CO)C(N)(C#N)C#N,0,GDB ChEMBL
103919,C#CC1C(C)CCCC12CO2,1,GDB ChEMBL
203452,CCC1COC(=O)C2OC2(C(=O)[O-])C1,0,GDB ChEMBL
207679,N=CNS(=O)(=O)CCC[NH2+]CCN,1,GDB ChEMBL
319782,CC#CCC(C#N)(C#N)OCCOC,1,GDB ChEMBL
70049,NC(=NCC[NH3+])OCC[NH3+],0,GDB ChEMBL
155779,COCC1CC([NH3+])C2C1N2C(N)=O,0,GDB ChEMBL
358211,CC1=CCC(C)CC(C)CC(O)C1[NH3+],0,GDB ChEMBL
75043,C[NH2+]C(C)C1(CCO)CN1C,0,GDB ChEMBL
135394,CC(O)CC(C=O)(C=O)C(=[NH2+])NCC(=O)[O-],0,GDB ChEMBL
1497,CCCCC(CC)CCC(C)(C)C(F)(F)F,1,GDB ChEMBL
21695,COC1CC(S(C)(=O)=O)CC1(C)O,1,GDB ChEMBL
243786,CCCc1conc1C1Cc2sccc2N1,0,GDB ChEMBL
201005,CCOC(C)C(CO)(CO)OC,1,GDB ChEMBL
361998,Brc1c2cccc1N=CNCCCCC2,1,GDB ChEMBL
230281,CC1(O)CCCOCC=C(CCO)C1[NH3+],0,GDB ChEMBL
263410,CCC12CC(C)C(C1)OC(=O)CCC2[NH3+],0,GDB ChEMBL
99822,CC(=O)N1C(=N)CCNC1=N,1,GDB ChEMBL
46927,CCC=C(C=O)COCC1CCC1,1,GDB ChEMBL
214449,CC(C)(C)OCCOC=O,1,GDB ChEMBL
391702,NC(=[NH2+])NC1C2NCC(C2=O)C1O,0,GDB ChEMBL
388453,COC1CCC1(N)C1(C#N)C(=O)NCC1O,0,GDB ChEMBL
201347,CC1=CCC2CC(C)C(CC[NH3+])C12,0,GDB ChEMBL
204427,CC(CO)C(CC1C[NH+]=C(N)N1)=NO,0,GDB ChEMBL
73817,CC1C(CO)[NH2+]C1CC(N)=O,0,GDB ChEMBL
48715,C=CN(CC(=O)NC)C1=NCCO1,1,GDB ChEMBL
64632,CNc1cc(I)cc(CC[NH2+]C)c1C(=O)C=O,0,GDB ChEMBL
172714,C#CC1CC(C)(C(C)OCC)CC[NH2+]1,0,GDB ChEMBL
274641,CCCCC1CC2CC(C)CC3CCCC1C32,0,GDB ChEMBL
155778,Cn1cc(NC(=O)C(N)C[NH3+])nn1,1,GDB ChEMBL
95210,CCCn1ncnc1CC(C)C,1,GDB ChEMBL
174847,C#CCCCCCCC(C)C(C)=NO,1,GDB ChEMBL
378905,CNC(C#N)C(C(N)=[NH2+])(C(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
382087,CCN1CCC(C=O)C1=[NH+]CCO,0,GDB ChEMBL
121085,C#CC(C1CCC[NH2+]CC1)C(C)(C)CC,0,GDB ChEMBL
320799,CCNc1c(O)cc(OC)n1C,1,GDB ChEMBL
293812,CCC(C[NH3+])Oc1[nH]nc(COC)c1CO,0,GDB ChEMBL
397096,CNC(=O)CC(O)(CO)C[NH+]=C(N)CCOC,0,GDB ChEMBL
337167,COC(=O)c1cc(=O)sc(NC(N)=O)n1,0,GDB ChEMBL
338861,C#CCCC(C(C)CC(C)C)C(C)(C)OCC,0,GDB ChEMBL
203155,CCC1CC(C#N)C(C[NH2+]C2CC2)CC1O,0,GDB ChEMBL
124842,COCC12COCC([NH3+])(COC1)C2C[NH+](C)C,0,GDB ChEMBL
194484,CC1([NH3+])CC2C([NH3+])C1OC2C(NC=O)C(=O)[O-],0,GDB ChEMBL
149331,CC1=CC2C(C[NH3+])C1C[NH+]2C,0,GDB ChEMBL
5339,CC1NC(=O)CC2=CCC(C)(C)C21,0,GDB ChEMBL
231150,CC(C)C1C[NH+]2CCOC1CC2,0,GDB ChEMBL
334762,CC(O)c1ccnc2nc(N)c3scnc3c12,1,GDB ChEMBL
119694,CC1C2CC3CC1C(=O)C(C2)C3C,0,GDB ChEMBL
44118,CC1C2=CCC3(C)C2C3c2cccc(O)c21,0,GDB ChEMBL
152589,CC#CC1CC2CC[NH+](C)CC12C,0,GDB ChEMBL
6086,COCCC#CC[NH2+]CCC(N)C[NH3+],0,GDB ChEMBL
125655,CC(CS(C)(=O)=O)C(O)C(N)=O,1,GDB ChEMBL
61985,CCC(CCN(C)C(C)=[NH2+])C1CCC1,0,GDB ChEMBL
31421,O=C(CC1CC1)N1CC=C2COC2C1,0,GDB ChEMBL
358308,C#Cc1ccn(CC2(C)CCC[NH2+]C2)n1,1,GDB ChEMBL
188518,C[NH+](C)C1CC=CCC([NH3+])C1,0,GDB ChEMBL
161081,C#CC1CC(C)C[NH+]1CC1(CC)COC1,0,GDB ChEMBL
5899,CC#CC1C(CC(CO)[NH2+]C)C1OC,0,GDB ChEMBL
76709,CC([NH3+])C1CN(C)C(=O)NC(=N)O1,0,GDB ChEMBL
112872,C#CCOC1CC([NH2+]C(C)CCCO)C1,1,GDB ChEMBL
350673,N#CC(CN)(CO)N=CN1CC(O)C([NH3+])C1=O,0,GDB ChEMBL
334596,COCC([NH3+])C(O)C1C=CC(O)C1[NH3+],0,GDB ChEMBL
328963,CCOC(C)(C)c1nc(O)cc(COC)c1Cl,1,GDB ChEMBL
274236,CNC(=O)OCC1C([NH3+])C1(C)O,0,GDB ChEMBL
315173,CCOC(=O)N1C(=O)C(N)C2C(O)CC1C2[NH3+],0,GDB ChEMBL
221927,CCC1C(C)CC2c3ccc(Cl)c(C)c3CC21,0,GDB ChEMBL
375545,N=CN1C(=O)OCC1C(O)C[NH3+],0,GDB ChEMBL
87121,CNC1C(=O)OCC2(C)[NH2+]CC12,0,GDB ChEMBL
258306,CCCC1(C)CC(C)CC(C(C)C)C1,1,GDB ChEMBL
116381,CC1CCCC(C)(C)C(C2(C)CC2)C1,0,GDB ChEMBL
151159,NC(N)=[NH+]CC(=O)N1CC1C[NH3+],0,GDB ChEMBL
317332,CC(C)C1(C)CCCC2C3CC(=O)CC3CC21,0,GDB ChEMBL
353214,CC(O)C(O)C([NH3+])C(=O)NC=N,1,GDB ChEMBL
140855,CC1[NH2+]CCC=CC=CC2OC2C1C,0,GDB ChEMBL
246938,CCCc1cc(Br)cc(Br)c1C1CC1C,1,GDB ChEMBL
95160,CCc1cnoc1Nc1ncccc1NC,1,GDB ChEMBL
121098,CCOC1CCOCC[NH2+]C1,0,GDB ChEMBL
202837,[NH3+]CC1Cn2nncc2NCCCCC(=O)O1,0,GDB ChEMBL
91208,C#CC(CC)C(CC[NH3+])[NH2+]C,0,GDB ChEMBL
4889,CC1NCC=CCCC2(CC2)CC1=O,1,GDB ChEMBL
15567,CCC([NH3+])c1nccc(Br)c1C#N,0,GDB ChEMBL
383708,C#CC1(C(N)=O)C(N)C12CCCC[NH2+]2,0,GDB ChEMBL
174913,CC[NH2+]C(CO)CCOC=[NH2+],0,GDB ChEMBL
81594,Cn1ccnc1C1COCC(CO)N1C(N)=O,0,GDB ChEMBL
348473,Nc1cc(F)ncc1S(N)(=O)=O,1,GDB ChEMBL
124845,N=C(NC(N)=O)c1cc[nH]c(=[NH2+])n1,0,GDB ChEMBL
338857,C[NH2+]C1C(=O)N2CC2(C)C1OS(N)(=O)=O,0,GDB ChEMBL
23641,C=CCCC1=CCCC(CC)CC1,1,GDB ChEMBL
296396,CC1(O)CCC2CCC(c3ccc(F)nc3)C21,1,GDB ChEMBL
240403,OC1CC2CC[NH+](CCN2)C1,0,GDB ChEMBL
251062,CC(C(N)=O)C1CC(C[NH3+])OC(=N)N1C(N)=O,0,GDB ChEMBL
389491,C=CC1(C=CC)CC2CCCC1C2,0,GDB ChEMBL
60679,CC1NC(=O)C2CCC(CO)C1[NH2+]C(C)C2N,0,GDB ChEMBL
345435,CCC1C(=O)CC23COC(CC12)C3,0,GDB ChEMBL
348875,CC[NH+]1CCC([NH3+])CC23CCCC2C13,0,GDB ChEMBL
236745,C#CC1C[NH2+]CC1C(CC)CCC,0,GDB ChEMBL
99088,CC1C2CCCC1C(C)(CCC(F)(F)F)CC2,0,GDB ChEMBL
184888,Cc1ncc(=N)n(CC(C)[NH+](C)C)c(=O)c1N,0,GDB ChEMBL
99618,CCCC(CC(C)C)c1cc(C)cc(F)c1F,1,GDB ChEMBL
24287,[NH3+]CCNC(=O)CCNc1nnsn1,0,GDB ChEMBL
247567,C[NH2+]CC(C)(O)CC(C)COC1CC1C,0,GDB ChEMBL
21700,CC(C(N)CC1[NH2+]CC(O)C1O)S(N)(=O)=O,0,GDB ChEMBL
181144,COc1nc(F)c(CO)c(=O)n1CCO,1,GDB ChEMBL
21710,OCCC(CCC1CCC[NH2+]1)n1cccn1,0,GDB ChEMBL
117407,Cc1cc(C2=CCCC2)c2cc(F)ccn12,1,GDB ChEMBL
139791,NC(=[NH2+])Oc1ccc(OCC(=O)[O-])nc1,0,GDB ChEMBL
110259,CNC(=O)C#CC(=O)OCCCS(=O)(=O)[O-],0,GDB ChEMBL
161425,CNC(=N)C(=O)C(=O)OC,1,GDB ChEMBL
287338,CC[NH2+]C1C2CC2C2CC[NH2+]C21,0,GDB ChEMBL
386636,CCc1[nH]c(C)cc1C1CCC(CC)CC1C,1,GDB ChEMBL
127201,C#CC1=CC(C(=O)[O-])C(=O)N1,0,GDB ChEMBL
190004,CCC1CC(C)(C)C(CC)C(C)C1CC,1,GDB ChEMBL
390468,CC1C=CC2CC1C([NH+](C)C)C2,0,GDB ChEMBL
104914,O=CNC(=O)OC1C=CCn2cncc2C1,1,GDB ChEMBL
26458,CC(=O)CC12CCC(C)C1NC(=O)CO2,1,GDB ChEMBL
190803,COC(C#N)C(N)C(=O)[O-],1,GDB ChEMBL
348406,CC1=CC2CC(CNC(=O)CC1)[NH2+]2,0,GDB ChEMBL
37144,CCCC(C)(CC)CC1CC(CC)CC1C,0,GDB ChEMBL
140134,NC1=[NH+]Cc2nc(Br)ccc2C2CC2N1,0,GDB ChEMBL
62766,[NH2+]=CNCCNc1ccc(F)cn1,1,GDB ChEMBL
184534,CC(CCO)CCCCC1C[NH2+]CCC1(C)C,0,GDB ChEMBL
384288,C#Cc1cccc(C2CC(C)CCC2C)c1C,1,GDB ChEMBL
4867,N#CCCNC(N)=[NH+]Cc1cnc(CC#N)o1,0,GDB ChEMBL
273862,N=C(N)c1noc(C(N)=O)c1CO,1,GDB ChEMBL
194505,C=CC1=CCC=C(C=C)C1CCC,0,GDB ChEMBL
302426,CCCC[NH2+]C12COC(C)CNC1(C)C2,0,GDB ChEMBL
371683,CCC1[NH+]2CCCC1(C)C(O)C2C,0,GDB ChEMBL
285075,[NH3+]C1CC2(CO)CC2C(O)C1O,0,GDB ChEMBL
209476,CCC(CC(C)[NH3+])Oc1ncc(N)c(C)c1Br,0,GDB ChEMBL
387343,COC(=O)C1C2CC(C=O)(C(N)=O)N1CC2=O,0,GDB ChEMBL
26572,CC1CC2C(C)[NH2+]CC2C1CC(N)=[NH2+],0,GDB ChEMBL
159891,C[NH2+]CC(CCCS(C)(=O)=O)N(C)C,0,GDB ChEMBL
378945,CC1CC(C(=O)[O-])N1C(N)=O,0,GDB ChEMBL
196521,CCCC1[NH2+]C(CC)C1COC,0,GDB ChEMBL
200730,Cc1onc2c1C(=N)NC(=O)NC2,1,GDB ChEMBL
41648,O=C([O-])c1cc(=O)oc(NC2CC2O)n1,0,GDB ChEMBL
233447,C#CC1CC1C1CCCC=CCCCC1C,0,GDB ChEMBL
143469,CC(C12CNC(=O)C1O2)S(C)(=O)=O,0,GDB ChEMBL
395644,[NH3+]CCOc1nn(CC(=O)[O-])c(=O)o1,0,GDB ChEMBL
309835,CC1C2=NCCN2C(=O)C12C1CCCCC12,0,GDB ChEMBL
147422,CC(=O)OCC1(N)C(=N)NC(=O)NCC1O,0,GDB ChEMBL
298233,C#CCCC1CC2CC(CC)C[NH2+]CCC12,0,GDB ChEMBL
202471,CC(C[NH3+])c1nocc1C[NH3+],0,GDB ChEMBL
273400,CC1C2CC(NC(N)=[NH2+])C(O)C2CC1(C)O,0,GDB ChEMBL
62805,CCC(O)C1CC1c1ccc(I)c(C)c1,1,GDB ChEMBL
214042,CN1CC(C#N)C1=[NH+]CCCOC(C)(C)C,0,GDB ChEMBL
238038,C#Cc1cc(C2CC2)c(CC)c(C)c1CC,1,GDB ChEMBL
274595,C[NH2+]CC1(O)C(O)C2C(C1O)N2C(N)=[NH2+],0,GDB ChEMBL
177301,Nc1ncc2c(n1)N(C1COC1=O)CCO2,1,GDB ChEMBL
29824,CCC1(COC)CC(C)[NH2+]C(C)C[NH2+]1,0,GDB ChEMBL
252715,CC(O)C1CC2(C)CCCC(C[NH2+]2)C1C,0,GDB ChEMBL
162518,C[NH2+]C(C)C1COCCOC(C=O)(C(N)=O)C1,0,GDB ChEMBL
233888,N#CC1OCC(NS(=O)(=O)CC(N)=O)CC1=O,0,GDB ChEMBL
188537,[NH3+]CC(=O)NC(C[NH3+])(CO)CS(=O)(=O)[O-],0,GDB ChEMBL
130592,CCCCCC(CC)C12CCC(C1)C2,0,GDB ChEMBL
131870,CCOC1CC2C(NC(C)C#N)C2(C)C1,0,GDB ChEMBL
188508,Cc1scc(C2CC[NH2+]C2)c1CNCC[NH3+],0,GDB ChEMBL
319148,C#CC1CC1(C#C)C[NH+]1CCCC1C,0,GDB ChEMBL
187202,C=C1COC(=O)C1(O)C[NH2+]CCO,0,GDB ChEMBL
309183,CC1CC(C)C2CC1C1C[NH2+]CC2C1,0,GDB ChEMBL
383709,C#CCCC1C2C=C(C)CCC1(C)C[NH2+]2,0,GDB ChEMBL
185328,C#CC(C=CCC)CC1CCCC1,1,GDB ChEMBL
27769,CNC(=O)C(C)(O)C1CC1[NH3+],0,GDB ChEMBL
277697,CCCC1([NH2+]C)COc2cccc(C)c21,0,GDB ChEMBL
46904,CC1C([NH3+])C2CNC(=O)C1C2C,0,GDB ChEMBL
13808,[NH2+]=C1NCCC2(O)CC(=O)C3NC(=O)C(N1)C32,0,GDB ChEMBL
17054,CCC1CCCC(C(C)(C)CC)C(C)C(C)C1,0,GDB ChEMBL
47348,NC1=[NH+]CC2NC(CCN1)C(O)C2=O,0,GDB ChEMBL
334370,Cc1cc(Cl)c(C2C3CCCC2C3)c(Cl)c1,1,GDB ChEMBL
234452,Cc1cc(N)c(C)c(F)c1C(C)(C)O,1,GDB ChEMBL
10957,CCCc1nc(NC(=O)OC)oc1N,1,GDB ChEMBL
307506,CC1CC(C)C(CCCc2ccccc2F)C1,1,GDB ChEMBL
204849,C=C(C#N)C1[NH+]=C(N)NCCC1O,0,GDB ChEMBL
318117,C#CC1(CC(=O)OC)CC(C)C[NH2+]CCC1[NH3+],0,GDB ChEMBL
112540,CC#CCOCC1([NH3+])CN(C)C1,1,GDB ChEMBL
17658,COC1OCCC12C(C)CC[NH2+]C2C,0,GDB ChEMBL
385972,CC1NC(=O)C2C3OC3CC12CO,0,GDB ChEMBL
326460,C#CC(c1cc(CC)ccn1)C(C)C1CC1,0,GDB ChEMBL
115413,NC(=O)C1OCCC(CO)C1NC=[NH2+],0,GDB ChEMBL
70762,N=C1NCCNCC(O)C(=O)N1,1,GDB ChEMBL
120732,NC(=O)OCC1C(C=NO)NC(=O)C1CO,0,GDB ChEMBL
281002,C#CC1CC(c2cc(C)cc(C)c2F)[NH+](C)C1,0,GDB ChEMBL
215304,CCC(OC)C1(C)CCC2(CCC2)CC1,1,GDB ChEMBL
130233,Cc1c(C#CC[NH3+])ncc2cc(O)ncc12,0,GDB ChEMBL
259555,CC1CCCCCC(C)C1C(C)(C)C(F)(F)F,0,GDB ChEMBL
245516,CCC12CCC(CC(=O)[O-])C1(C[NH3+])CC([NH3+])C2,0,GDB ChEMBL
384811,CCC1C(C2(C(=O)[O-])CN2)N1S(C)(=O)=O,0,GDB ChEMBL
174199,COC(C(C)C)C1(C#N)CCCC(O)C(O)C1,0,GDB ChEMBL
61657,CCC1[NH2+]C(C)C(O)C=CC1C,0,GDB ChEMBL
271049,CC1OC(C)(C)CC(C(N)C[NH3+])NCC1[NH3+],0,GDB ChEMBL
338290,COCC(N)(C(N)=[NH2+])C(C)(C)C(N)=O,0,GDB ChEMBL
345498,CCC1CC2CCCC1(C1CCOC1)C2O,0,GDB ChEMBL
284702,NC(=[NH2+])C(CO)C1CC(O)CC1[NH3+],0,GDB ChEMBL
385931,COC(C[NH3+])C1(CO)C(C)C1NC(N)=O,0,GDB ChEMBL
358915,CNC1(C(=O)OC)CCNC(=O)C1C=NO,0,GDB ChEMBL
172319,CC1(CC#N)C=CCC1CO,0,GDB ChEMBL
105143,O=C([O-])CC(=O)NC1CC2C=CCC1[NH2+]2,0,GDB ChEMBL
129390,CC1(C)CCC2C(c3ccccc3I)C21,1,GDB ChEMBL
296995,CC1CC2C(CC1C)C2C(O)CC(C)(C)C,1,GDB ChEMBL
384265,CC(O)C1COC2C(C)C[NH+](C)CCC12[NH3+],0,GDB ChEMBL
35324,CCOc1cnc(C#N)c(CS(N)(=O)=O)n1,0,GDB ChEMBL
105137,O=CNC(=O)c1cc(=O)[nH]c2c1C(=O)NCC2,1,GDB ChEMBL
93083,CC(C#N)NC(C#N)C(N)=O,1,GDB ChEMBL
366754,O=CC1CC2CC(=O)CCC2[NH2+]1,0,GDB ChEMBL
215359,CC[NH+]1CCC(O)C1C1C(=N)NC(=O)C1N,0,GDB ChEMBL
249481,Nc1nccn1C(=O)OCCS(N)(=O)=O,1,GDB ChEMBL
121091,CCC1CC(CO)=C(C)NC1=O,0,GDB ChEMBL
189795,C=CC(C#CCO)Cn1ccnc1,1,GDB ChEMBL
76822,CC1CC2OCC(CC[NH2+]1)C(C(O)CCO)O2,0,GDB ChEMBL
271373,CNC(C#N)CCc1nn(C)c(=O)n1C,1,GDB ChEMBL
252059,COCC1(N)C(C#N)C1C(O)C[NH3+],0,GDB ChEMBL
130465,CCC1(C)C2CCC3CCCC(C3)C1C(C)C2,0,GDB ChEMBL
263990,CCC1C(C)C2CC(CC(C)(C)C2)C1C,0,GDB ChEMBL
25144,CC1(O)CCC(C)(C)C2CCC(=O)C2C1,0,GDB ChEMBL
322844,CC1OCCC12C1CCN(C(N)=[NH2+])CC12O,0,GDB ChEMBL
122884,CC1C2C(O)C(C(C(O)CO)N2C)N1C=O,0,GDB ChEMBL
226269,C#Cc1c(Cl)[nH]c(=O)n(CC[NH3+])c1=O,0,GDB ChEMBL
389618,C#CC[NH2+]C1C=CC(CC)C1,0,GDB ChEMBL
148942,CCCC1(CC)[NH2+]C(C(C)C)CC(C[NH3+])C1C,0,GDB ChEMBL
18700,C#CCC1C(=O)OC(=N)C1CC(C)O,0,GDB ChEMBL
54824,COC1CCCC(C(C)O)C2(C)CC2C1,0,GDB ChEMBL
152012,O=C([O-])CC(O)C(O)C(C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
399011,CC(=N)NC(=O)C(O)CC#N,1,GDB ChEMBL
136041,CCC1CCCC2(CC)C(=O)CCC12,0,GDB ChEMBL
13810,C=C1CC(=O)C(C)CC1[NH+](C)CC,0,GDB ChEMBL
131863,CCc1ccc(F)c(OC)c1C,1,GDB ChEMBL
280269,N#CC(O)C1NC(=O)C([NH3+])C1O,0,GDB ChEMBL
215453,C#Cc1c(C(F)(F)F)cc(C)nc1F,1,GDB ChEMBL
126858,N#CCN(C=O)C(C=O)C1CC1,1,GDB ChEMBL
344289,C=CCc1cc(O)c(Cl)c(C[NH3+])n1,0,GDB ChEMBL
19389,CC(C)C1(C(O)C(O)C(=O)[O-])CO1,0,GDB ChEMBL
26369,C#CC(O)C1(C)CC(C)CCCC1C(F)(F)F,0,GDB ChEMBL
284295,NC1CC2C(O)C2(O)CC(=O)NCC1[NH3+],0,GDB ChEMBL
252356,C#Cc1cccc(C)c(C)n2c(c1)CCC2=O,0,GDB ChEMBL
6522,OCC1[NH2+]CCC2CC1CC1OC21,0,GDB ChEMBL
238524,CCC1CC2CCCC(C)(C(C)C2)C1[NH3+],0,GDB ChEMBL
161105,C#CCC1C(C)(CCC)CC(C)C1(C)CC,0,GDB ChEMBL
225332,CC(C)(CO)[NH2+]Cc1c[nH]c(CC#N)c1,0,GDB ChEMBL
216549,C=Cc1ccnc(C=CC(=C)C)c1,1,GDB ChEMBL
33242,NC(=[NH2+])C1C[NH2+]C(C(=O)[O-])C1(O)C(=O)[O-],0,GDB ChEMBL
365764,CC1=C(C)CC(COC(=O)C(C)N)[NH2+]C1,0,GDB ChEMBL
112864,C#CC1CCCC12CCC(CCC)[NH2+]C(C)C2,0,GDB ChEMBL
143168,NC(=O)NCc1c[nH]nc1O,1,GDB ChEMBL
227491,CNC(=O)C1C(O)C1C[NH+]=C(N)OC,0,GDB ChEMBL
157493,CC1CC2(CC2)C2CC[NH2+]C12,0,GDB ChEMBL
245839,CC(O)CC1C#CCNC(C[NH3+])CC(O)C1,0,GDB ChEMBL
391777,COC(=O)C1=C(C)C(C)(C)C=CCCC1C,0,GDB ChEMBL
356873,Cc1ccc(C[NH2+]C(C)(C)C)c(C(C)C)c1,0,GDB ChEMBL
118836,CNc1cc2c(cn1)OC(C)O2,1,GDB ChEMBL
108186,CC1=CCC2CC([NH3+])C(C2)C(O)C(C)C1,0,GDB ChEMBL
84497,CCC1CC(C)(C)[NH2+]CCN=C(CO)O1,0,GDB ChEMBL
203826,O=C1CC[NH2+]CC1C1(O)CC1,0,GDB ChEMBL
252878,COC1CC2(C[NH3+])CC(C)C(C)C1[NH+]2C,0,GDB ChEMBL
76959,CCC(C[NH2+]C)OCC(N)=O,0,GDB ChEMBL
2322,CN(C(N)=O)C(C#N)CC(C)(C)CO,1,GDB ChEMBL
167292,COCC(=[NH2+])NCCC=O,0,GDB ChEMBL
40377,CN1CC2(O)CC(OC2=N)C1=O,0,GDB ChEMBL
275510,C=CCCCC(O)C=CC(=O)NC,1,GDB ChEMBL
20524,COC(C1C[NH2+]CCO1)S(N)(=O)=O,0,GDB ChEMBL
266240,CC1C=CCC(C)(C)Oc2cncc(n2)N1,1,GDB ChEMBL
252582,COc1ncnc2c1CCC=C2C1CC[NH2+]1,0,GDB ChEMBL
387063,COC1OC2CC([NH3+])C1C2O,0,GDB ChEMBL
204682,CCCC#CC1(C)CCC(C)(C)CC1,1,GDB ChEMBL
322970,N#CC(N)C1(c2cccc(Cl)n2)CN1,0,GDB ChEMBL
252679,CN1C(=O)NCC1(C)C(N)=O,1,GDB ChEMBL
4769,CC1[NH2+]CCC=CC[NH+](C)C12CC2,0,GDB ChEMBL
123041,O=CC1C2NCCOC(=O)C2CNS1(=O)=O,0,GDB ChEMBL
277412,Cn1ccc(=O)nc(N)sc(CN)nc1=O,0,GDB ChEMBL
34989,CC(O)C1OC(=O)NC1C(=O)NC(N)=O,1,GDB ChEMBL
16770,Nc1nc(NCCCO)c(O)s1,1,GDB ChEMBL
386491,COC1C(C=O)[NH+]=C(N)NCC1(O)CC(N)=O,0,GDB ChEMBL
306390,CC1CCc2cnc(Cl)c(Cl)c2C1,1,GDB ChEMBL
138368,CC1NC(=O)C(N)C2(NC(N)=[NH2+])C(O)C12,0,GDB ChEMBL
339058,CC1CC2(CN(C(N)=[NH2+])C2)N=C(N)O1,0,GDB ChEMBL
191279,CCOC(=[NH2+])NCc1noc(C#N)n1,0,GDB ChEMBL
378593,CCCC(CC)C1C=CC(C)CC1,1,GDB ChEMBL
127701,C#CCCOC(C)C(C)(C)CCO,1,GDB ChEMBL
249424,CC(C)OC1CCn2nncc2CCO1,1,GDB ChEMBL
109521,C[NH+]=CN(CC(N)=O)C1(C)COC1,0,GDB ChEMBL
275610,CCCCC(C)C(C)C1CCC(C)(C)O1,1,GDB ChEMBL
194434,OCC1C[NH2+]C2CCC3CC1C2O3,0,GDB ChEMBL
44589,CC1=CCOc2ccccc2C(=N[O-])C1C,0,GDB ChEMBL
307513,[NH3+]CCC12NS(=O)(=O)C(C(=O)[O-])C1C2O,0,GDB ChEMBL
47744,C[NH2+]CCC(C)([NH3+])C1C[NH2+]C1,0,GDB ChEMBL
321960,N#CCCC(=O)NC(=N)C=CCO,1,GDB ChEMBL
199041,COC1CCC(=C(C)C(C)CO)C1,0,GDB ChEMBL
6852,CC1CC2C(=O)NCC(O)(CC#N)CC2[NH2+]1,0,GDB ChEMBL
276174,CC1c2ccc(F)cc2C2C1C2(C)[NH3+],0,GDB ChEMBL
351314,CC1=[NH+]C2(CCC2)C(C)CC(N)CN1C,0,GDB ChEMBL
260584,CC(=O)NC(=O)C1CC2OC1(C)C(O)CC2O,0,GDB ChEMBL
372178,C[NH2+]C1C(C)CC(C)C2CCCC21,0,GDB ChEMBL
234898,CCN1CCC23OC(N)=[NH+]CC2(C1=O)C3O,0,GDB ChEMBL
108683,Cc1ccc2c(F)cc(C=O)cc2c1,1,GDB ChEMBL
201163,NC(N)=[NH+]C1C(=O)NC(C[NH3+])(CO)C1N,0,GDB ChEMBL
114752,CC#CC1C(=O)N(C)C2C(C)C(C#N)CC12,0,GDB ChEMBL
177279,CC1COC2CCC(C)C3(CC3)C(C2)C1C,0,GDB ChEMBL
177161,CC#CCCCCC(C)(CC(C)C)C1C[NH2+]1,0,GDB ChEMBL
39705,CCCC1=CC(=O)CC1,1,GDB ChEMBL
294420,CCC1C2CC=CC(O)C(CNC2=O)C1O,0,GDB ChEMBL
320755,C#CC1CCC1c1ccc(C)cc1C,1,GDB ChEMBL
77285,N#CC1CC2NC(=O)CNCC12,0,GDB ChEMBL
362022,NC(N)=[NH+]C1(C2CCO2)CNC(=O)NC1,0,GDB ChEMBL
280721,C#CC1C(C#N)(C(C)C)C[NH+](CCC)C1(C)C,0,GDB ChEMBL
64335,CCCc1nccc2c(NC)c(C)c(=O)sc12,0,GDB ChEMBL
397052,CCOc1c(F)c[nH]c2nccc1-2,1,GDB ChEMBL
259341,CCCCC1C=C(C)C(C)=CCC1C,0,GDB ChEMBL
142407,CN1CC(O)C(OC=O)C1=O,1,GDB ChEMBL
198798,CCC(O)C(=O)[N-]C(C#N)S(N)(=O)=O,0,GDB ChEMBL
260182,CCn1ncc2nc(Cl)cc(C(C)C(C)C)c21,0,GDB ChEMBL
87543,C#CC1=CCC[NH+](C(C)C)CC=C1,0,GDB ChEMBL
119807,CCCCC1CCC2CC(C)[NH+]12,0,GDB ChEMBL
41643,CC#CC1(O)CCC(=O)CC=CC1C(C)C,0,GDB ChEMBL
190359,C#CCCC(C)CCCCO,1,GDB ChEMBL
365755,CC(C)[NH+](C)CCC1(C)CO1,0,GDB ChEMBL
132304,C#CC1CCCC=CCC[NH+](C)C1,0,GDB ChEMBL
13878,C#CC1C[NH2+]C1C(C)OC,0,GDB ChEMBL
142381,CC1CC(C)C(=O)N2CC(O)C2C1,1,GDB ChEMBL
252643,CN1CC2OCC(C2=O)C1=O,1,GDB ChEMBL
51004,CCC(CC[NH3+])C(O)C1NC1(C)C[NH3+],0,GDB ChEMBL
170258,CCNC(=[NH2+])NC(=[NH2+])CC(C)CC(C)=O,0,GDB ChEMBL
265531,C#CCC(C)(C)C(C(C)C)C(C)C,0,GDB ChEMBL
161363,COC1C2C[NH2+]C(C)(C1N)C2CC(C)C,0,GDB ChEMBL
99146,C#CC(C#C)NC(C)c1ccc(CC)cc1Br,1,GDB ChEMBL
76473,C[NH2+]CC1CC(=O)C(=O)Oc2nccn2C1,0,GDB ChEMBL
81125,CCC1CC(=O)NCC1C(C)([NH3+])CO,0,GDB ChEMBL
240512,CCCCC1CC=CC(OC)CC1,1,GDB ChEMBL
126368,CCCCC1C=CCCC(O)CC=C1,1,GDB ChEMBL
320440,CNC(=[NH2+])OCCCC(=O)NC1CCOC1=O,0,GDB ChEMBL
34296,CNC(=O)c1noc(COC(=O)CO)n1,1,GDB ChEMBL
38476,CC1CC(C2CC2)C2C(C)[NH2+]CC12,0,GDB ChEMBL
307495,Nc1nc(Br)c([N+](=O)[O-])c(CC[NH3+])n1,0,GDB ChEMBL
382490,COCCC1C=C2CCC(C)CC3C[NH+]1C23,0,GDB ChEMBL
183425,N=C(N)N1C(=O)C(N)C1CCC(=O)[O-],0,GDB ChEMBL
338808,C#CC1CC(CC2CCC2)C[NH2+]1,0,GDB ChEMBL
148848,CC(C)(O)Cc1ccc(O)c(OC=O)n1,1,GDB ChEMBL
140760,C#CCC1(C)C(O)CC1[NH2+]CCC(N)=O,0,GDB ChEMBL
34805,COCC1[NH2+]C2CC2C1OC,0,GDB ChEMBL
383278,CCCC1CCC2(C)C(C(C)C)CCC12,0,GDB ChEMBL
47257,CC1C(CCO)NC(=O)C1(C)O,1,GDB ChEMBL
203158,COc1c[nH]c(CO)cc(N)c(O)nc1C#N,0,GDB ChEMBL
112429,CCN=c1oc(=O)[nH][c-](C)c1=O,0,GDB ChEMBL
108728,C#CC1CCCc2cc(Cl)cc(N3CC3)c21,1,GDB ChEMBL
380266,C#CC[NH2+]C1C(CCC)C(=O)N2CC12,0,GDB ChEMBL
271084,CCc1c(Cl)c(C)cc2c1C(C)CC2(C)C,1,GDB ChEMBL
259346,Cc1cscc1OCC(=O)[O-],1,GDB ChEMBL
223536,CC(C)([NH3+])C(C(=O)[O-])C1CO1,1,GDB ChEMBL
301150,CCCOCC1[NH2+]CC2CCC21,0,GDB ChEMBL
203456,C#CCC1CC[NH2+]C1C(O)(CCC)C(C)[NH2+]C,0,GDB ChEMBL
349987,CC(C)C1CC2(CC3CC3)CCC1C2,0,GDB ChEMBL
376042,NS(=O)(=O)CC(NC=O)C1OC1C(=O)[O-],0,GDB ChEMBL
215444,C#Cc1nc(C)c(O)c(F)c1C(F)(F)F,1,GDB ChEMBL
302643,CC#Cc1ccc(I)c(CC(C)C)c1,1,GDB ChEMBL
160959,CC[NH2+]CC1(O)CCC1(C=O)NS(C)(=O)=O,0,GDB ChEMBL
121521,CC(C#N)OC(=O)CNC=O,1,GDB ChEMBL
318345,COC1CC2CC1CCC(C)C(C)CC2(C)O,0,GDB ChEMBL
278867,CCc1c[nH]c2c(C)c(C)c(F)c(N)c12,1,GDB ChEMBL
107001,CCC1CC(=NO)COC1C(C)c1ccco1,0,GDB ChEMBL
208387,CCCC1(C(F)(F)F)C=CCC=CCC1,0,GDB ChEMBL
258747,COCCC(C(N)=O)C(=O)OC=N,1,GDB ChEMBL
260568,COC(=O)C1(C#CC(O)C(C)[NH3+])C[NH2+]C1,0,GDB ChEMBL
33223,CC1COCC1CNS(=O)(=O)CC[NH3+],1,GDB ChEMBL
331715,C=CCC(CC)C(CC)CC(C)C,0,GDB ChEMBL
309665,N#CC1[NH+]=C(N)NCC1C[NH3+],0,GDB ChEMBL
339945,CCN(C(N)=NCCO)S(=O)(=O)CC[NH2+]C,1,GDB ChEMBL
186598,CCc1cc(C2CC2)c(C)c(N)c1F,1,GDB ChEMBL
262314,CCC(CC(C)O)C1CC1(C)C,1,GDB ChEMBL
378100,NC(=[NH2+])NCC1OC(=O)C(O)C(C[NH3+])O1,0,GDB ChEMBL
140152,CCNC(=[NH2+])c1sc(CC(C)=O)cc1CCO,0,GDB ChEMBL
28261,CCCC(CC)C([NH3+])C1(O)C[NH+](C)CC1(C)C,0,GDB ChEMBL
201436,[NH3+]C12CCCCC=C(CC1)CC2,0,GDB ChEMBL
305188,CNC(=O)C(C)C1(C)OCC(CNCC[NH3+])O1,0,GDB ChEMBL
127209,CC1OC(=[NH2+])NC(C[NH3+])C(N)C1CO,0,GDB ChEMBL
196489,CCC1C(C#N)CC2C=CCCC(C)CC21,0,GDB ChEMBL
352568,C[NH+]1CC=C2CC(CC1)C(=O)CC2O,0,GDB ChEMBL
204385,CC1C2OC3CC3CC(C2O)[NH+]1C,0,GDB ChEMBL
85668,C=C1CC2C(C)C1C1CC(C)[NH+]2C1,0,GDB ChEMBL
276035,CC1(C)CS(=O)(=O)N2CC(=O)NC(=O)C21CO,0,GDB ChEMBL
234511,C[NH2+]CCC1([NH3+])COC(C(C)NC(N)=[NH2+])C1,0,GDB ChEMBL
120733,C#Cc1nccc(Br)c1C#CC1CC1,1,GDB ChEMBL
116385,CC#CCC(C)(CC)C(CC)C(C)C,1,GDB ChEMBL
230442,N#CC1CC(=O)N2C(C1CO)C21CC[NH2+]C1,0,GDB ChEMBL
202469,CCC#CC(CC1CC1)C(C)(O)COC,0,GDB ChEMBL
351416,COCCCCc1nc(N)c(S(N)(=O)=O)[nH]1,0,GDB ChEMBL
388243,C#CC1C(C(C)n2ccnc2)N1C=O,0,GDB ChEMBL
203232,C[NH2+]CC12CC([NH3+])C(O)C(OC)C1O2,0,GDB ChEMBL
331714,CN(CC#CCC1CCOC1)C1=NCCO1,1,GDB ChEMBL
378293,CCC1C2C=CC(C2)C1(C)CC(C)(C)C,0,GDB ChEMBL
247532,CC1OC(=O)C2[NH2+]CC1C2C,0,GDB ChEMBL
355772,CCC1C(O)C(=O)NC(=O)N1c1nn[n-]n1,0,GDB ChEMBL
33285,C[NH2+]C1C(O)C(NC(N)=[NH2+])C2OC12,0,GDB ChEMBL
111561,CCC1(C)C(=O)CC2CC(C)C(C)CC21,0,GDB ChEMBL
274142,COC1(C[NH3+])C(O)C(=O)NC(=O)C1C(=O)[O-],0,GDB ChEMBL
34715,C#CCN1CC([NH3+])CC2CC21,0,GDB ChEMBL
182275,CC[NH2+]C1CN(S(=O)(=O)CC(=O)NC=O)C1,0,GDB ChEMBL
358832,CC1N=C(C(N)=NC(CO)CC(=O)[O-])OC1=O,0,GDB ChEMBL
290122,COCCc1c(C)cnc(N)c1C#N,1,GDB ChEMBL
16070,CCC1CC1N(C=O)C(N)=NC(C)(C)C,1,GDB ChEMBL
247503,Cc1cccc2c1C1CCOC1C2C,0,GDB ChEMBL
148894,CNS(=O)(=O)c1cc(=O)[nH]cc1Br,1,GDB ChEMBL
143454,Cc1noc(CCC=CC(C)C)n1,1,GDB ChEMBL
340439,C#CC=C(CC)CC(C=O)[NH2+]CC,0,GDB ChEMBL
88130,Cc1cn(C(C)(C)CC(C)C)nc1C[NH3+],0,GDB ChEMBL
258703,COC(=O)C(C)NC(N)=[NH+]c1cnn[nH]c1=O,0,GDB ChEMBL
140867,CC1C2CC(C#N)CC(O)CN12,0,GDB ChEMBL
317311,C#CCCc1cccc(I)c1O,1,GDB ChEMBL
186743,C#CCC(Cc1ccc(Cl)cc1C)C(O)C#C,0,GDB ChEMBL
249633,CCC1CCCCCC(C)=CC(=O)N1,0,GDB ChEMBL
19653,Cc1sc(C(N)=O)c(C#N)c1[NH+]=C(N)N,0,GDB ChEMBL
308226,CC(C)(O)CC1CC1CCCC#CC[NH3+],0,GDB ChEMBL
338567,CC#CC1COCCCC(C)(C)CC1=O,0,GDB ChEMBL
149999,CCC#CC#CC([NH+]1CCC1)C(C)(C)C,0,GDB ChEMBL
316272,CCOC(=O)C1C(C)CCC2(C=O)CC12,0,GDB ChEMBL
126344,CCN(C)C1(C#N)C2NC1C1OC12,0,GDB ChEMBL
156127,C#Cc1cc2c(cc1Cl)CCC1(CC1)C2[NH3+],0,GDB ChEMBL
379839,CCC1C=CC(=O)COCCO1,1,GDB ChEMBL
211120,CNC(C(C[NH3+])OC)C(O)C(N)=[NH2+],0,GDB ChEMBL
148507,CC(O)C(O)CC([NH3+])c1cnc(N)s1,0,GDB ChEMBL
358253,CC1CC(O)COC12CC([NH3+])CC(O)C2,0,GDB ChEMBL
281029,N#CC1CC2CC=CC[NH2+]CC(O)C1NC2,0,GDB ChEMBL
136537,CCN(CC12CC(CCCO1)C2)C(N)=O,1,GDB ChEMBL
22799,C#CCC1C2C(O)C([NH+](C)C2COC)C1(C)C,0,GDB ChEMBL
84224,CCC([NH3+])CN(CC(=O)[O-])c1ccno1,0,GDB ChEMBL
332427,CC#CCC1Cc2cccc(F)c2C1,1,GDB ChEMBL
29615,CC(C)Nc1c(C=O)nc([O-])[nH]c1=O,1,GDB ChEMBL
146894,CC1CC(C)C2CC(O)CC(C1)C(C)[NH2+]2,0,GDB ChEMBL
42244,CC(C)(CO)C1(C)CCOCC1,0,GDB ChEMBL
79581,CCCC1(CCC)C(C)CCC1C,1,GDB ChEMBL
126842,NC(=O)C1(O)CN=C(N)NC(=[NH2+])CC1CO,0,GDB ChEMBL
90330,Cc1c(O)c(O)c([O-])nc(=O)c1CC[NH3+],0,GDB ChEMBL
234958,CCC1C(=O)NC(C)C=C1CC(F)(F)F,0,GDB ChEMBL
174250,CC1CC2CCC(C)C(C2)CC(C)[NH2+]1,0,GDB ChEMBL
355143,CC1COC2c3cccc(I)c3NCC12,0,GDB ChEMBL
120386,CN(C=[NH2+])CCC[NH2+]C(CCO)C(=O)[O-],0,GDB ChEMBL
4770,CC1CC(NC(=O)C(N)=O)C(O)C1(C)C[NH3+],0,GDB ChEMBL
284011,CC([NH2+]C1CCN2CC12)C(=O)CO,0,GDB ChEMBL
53845,COCC1(CC2CC2)CC(C)(C)CC=C1C,0,GDB ChEMBL
28308,C#CC(C)C(CC)C(C)c1ccc(C)c(Br)c1,0,GDB ChEMBL
253622,CCC(CCC[NH3+])c1ccc(Br)c(C)c1,0,GDB ChEMBL
334768,CCCC(C)C12CC1CC(O)C([NH3+])CC2C,0,GDB ChEMBL
274620,CN1C2CC(=O)OC(C[NH3+])C21,0,GDB ChEMBL
210753,O=CC12CNC(=O)CCC1CC(=O)O2,0,GDB ChEMBL
130246,CC1CC2CCC(C)C3C(=O)NCC23C1,0,GDB ChEMBL
236020,COC(=O)C(CN)(CN)[NH+]=C(N)N,0,GDB ChEMBL
317966,CC(=O)n1cnc(C2COC(N)=N2)c1,0,GDB ChEMBL
28971,CCC(C)NC1C2[NH2+]CCC12CC(C)C,0,GDB ChEMBL
260704,NC1C(=O)OC2CC(=O)NC21,0,GDB ChEMBL
28366,CCC1(CC)C[NH2+]C(C(C)C)C1OC,0,GDB ChEMBL
136054,NC(=O)C(C[NH3+])CN1CC1,1,GDB ChEMBL
292542,CC1Oc2cccc(N)c2NCC1[NH3+],0,GDB ChEMBL
290112,OC1C=CCC2CC#CCCCC[NH+](C1)C2,0,GDB ChEMBL
5226,CC(C=O)C1OC(=N)CC(O)CNC1=O,1,GDB ChEMBL
299162,CCC[NH+]1C2CC(C)(CC2C)C2(C)CC12,0,GDB ChEMBL
351165,O=CC(O)C1NC(=O)CNCC1O,0,GDB ChEMBL
394349,CC(C)C(C)c1c(I)cccc1I,1,GDB ChEMBL
203239,CC1CN(C)C2(C[NH2+]C2)C1,0,GDB ChEMBL
230243,N#CC1(C#N)CCOC(=[NH2+])NC1,0,GDB ChEMBL
218836,NC(=O)C(CO)C(=O)N(C=O)C(N)=O,1,GDB ChEMBL
275522,C#CC12CC1C(O)c1cc(N)ccc1C2O,0,GDB ChEMBL
325923,CC#CCNc1c(CC)ncc(C)c1C,1,GDB ChEMBL
113474,CCCC(C)(C)C1=CC(C=O)[NH2+]CCC1C,0,GDB ChEMBL
379221,Cc1cc(F)c2c(c1)C(C)(C)C(O)C2=O,1,GDB ChEMBL
255438,CC(C)(O)Cc1nncnc1CCCO,1,GDB ChEMBL
201664,[NH3+]C1Cc2cccnc2CC(CO)C1,0,GDB ChEMBL
97206,COCC[NH+]1CC(C2OC(=O)C2C)C1,0,GDB ChEMBL
285073,CCc1ccc(Cl)cc1C(C)(C)n1cccc1,1,GDB ChEMBL
346979,C[NH+](C)CC1(Cc2ncon2)CC1[NH3+],0,GDB ChEMBL
26796,CCC(C)(C[NH2+]C1CC1)C1OCCO1,0,GDB ChEMBL
92313,CC(C)C1OCC2COCC(=O)NC(=O)C1O2,0,GDB ChEMBL
227615,C#CC(C)c1cc(C)c(Cl)c(C)c1C(O)CC,1,GDB ChEMBL
173931,CC1OCC2C([NH3+])C12NCC(N)=O,0,GDB ChEMBL
176440,CCC1(CC)CCC(C)C2CC(C(C)C)CC21,0,GDB ChEMBL
5266,CC1=CCC2C3CC(C[NH3+])CCC123,0,GDB ChEMBL
179493,COC1C2C[NH+](CC2C)C1C,0,GDB ChEMBL
94904,CCC1C(C)CCCC1C1C=CC(C)C1C,0,GDB ChEMBL
39969,CCOC(=O)C1COCC1c1cnoc1C#N,0,GDB ChEMBL
228349,O=C([O-])C(O)C[NH+]=C1NCCC1O,0,GDB ChEMBL
217149,CC1CCCC=C(C(C)(C)C2CC2)C1,1,GDB ChEMBL
395108,[NH3+]C(C1CO1)C(C(=O)[O-])C(O)CO,0,GDB ChEMBL
142347,CCCc1c(C)cc(I)c(I)c1N,1,GDB ChEMBL
177228,COC1CN(CC([NH3+])CNC(=O)CO)C1,0,GDB ChEMBL
36199,COCCN1CC2(OC)C3C(=O)C(O)C1C32,0,GDB ChEMBL
47772,CCCc1nc(C)n2c(C)ccc2c1F,0,GDB ChEMBL
275559,CCC(C)C1CCCC=CC(C)C1(C)O,1,GDB ChEMBL
252296,Cc1csc(C2C(C)[NH2+]C2C)n1,0,GDB ChEMBL
345695,CC#CC(O)(CC(C)O)C1C(CC)C1C[NH3+],0,GDB ChEMBL
319207,CC1=Cc2cc(C#N)cn2CCC1O,0,GDB ChEMBL
87500,C#CC(CC1OCOC1C)[NH2+]C,0,GDB ChEMBL
214432,N=C1OCC2OC(OCC2[NH3+])C1NCC(=O)[O-],0,GDB ChEMBL
282217,CC(C)CCCC1C=CCN1CC=O,1,GDB ChEMBL
65583,CNC(=O)N1CC(N)=[NH+]CC1CO,0,GDB ChEMBL
33519,Cc1conc1NC(=O)NC(=N)N,1,GDB ChEMBL
222081,Cc1c(Cl)cc(C(C)(C)CO)c(Cl)c1Cl,1,GDB ChEMBL
276123,CCCN1C(=O)C2(O)C(=O)OCC1(C=O)C2=O,0,GDB ChEMBL
392296,N#CCN1C2CC(CS(=O)(=O)[O-])C1CC2O,0,GDB ChEMBL
99551,Nc1cc(CC(=O)[O-])n2c(C[NH3+])c(N)nc2n1,0,GDB ChEMBL
217364,CCC1CCc2ccc(Br)c(C3CC3)c21,1,GDB ChEMBL
174309,CCCC1C(C)C2CC1(C)CC2C(C)C,0,GDB ChEMBL
318137,CC[NH+]1CCCC12CS(=O)(=O)CCC2C,0,GDB ChEMBL
225083,CC12C(=O)OCCCC1([NH3+])C2O,0,GDB ChEMBL
172723,CC(C)C1(C)CCC2CC(C)C1(C)C2,0,GDB ChEMBL
98519,C#CC(CCCC#N)CCCC(C)(C)C#N,1,GDB ChEMBL
330520,Cc1c(Cl)cc(C#N)c(C=O)c1Cl,1,GDB ChEMBL
127518,[NH3+]CCC1C2C(C(O)CO)NC(=O)N12,0,GDB ChEMBL
126631,NC(=O)C1(C[NH3+])NC(=O)OCC1O,0,GDB ChEMBL
305278,C#CCc1ccc(NCC)c(Cl)c1CO,1,GDB ChEMBL
171320,Nc1nn(C2CC2)cc1OCCCO,1,GDB ChEMBL
201371,CC(CS(N)(=O)=O)NC(=O)COC(N)=O,1,GDB ChEMBL
250674,O=C([O-])C1=CCOCCCCCS(=O)(=O)N1,0,GDB ChEMBL
317337,CN1C(=O)C(N)C1(CO)CO,0,GDB ChEMBL
259081,C#CC1NCC2=CCC(CC)CC2OC1=O,0,GDB ChEMBL
115921,CCCC([NH3+])C1(C(=O)NC)C(N)C1(O)C[NH3+],0,GDB ChEMBL
5841,C[NH2+]CC([NH3+])CCC#CCCC#N,0,GDB ChEMBL
284405,CC1CC2(C)C(C)[NH2+]C1C2CC(C)(C)C,0,GDB ChEMBL
141920,CC1CNc2cnc(Cl)c(NCCO)c2NC1,1,GDB ChEMBL
127474,CC(CO)C(c1ncsc1CC[NH3+])N(C)C=O,0,GDB ChEMBL
138339,CC(CC(C)(C)C)C1CC[NH2+]1,1,GDB ChEMBL
119833,CC([NH3+])C1C(CO)C(C(C)O)[NH2+]C12CC2,0,GDB ChEMBL
137092,CNC(=O)C1([NH2+]C)C2COCC21,0,GDB ChEMBL
103537,COCCCC1COC2C(N)C[NH2+]C2C(C)O1,0,GDB ChEMBL
33209,CC(COC1CCCC1)C(C)C[NH+](C)C,0,GDB ChEMBL
9736,Nc1csc(CCC(F)(F)F)c1C[NH3+],0,GDB ChEMBL
31307,Cc1ncn2c1C(C)OCCC(C(C)[NH3+])CC2,0,GDB ChEMBL
162895,CCOCC1(CCC#N)CCCC1=O,1,GDB ChEMBL
245539,CC[NH2+]CCc1nc2cc(N)c(N)nc2[nH]1,0,GDB ChEMBL
95503,C#CCC1CCCCC=CC=C(C)CCC1,0,GDB ChEMBL
194518,CCC(C[NH2+]C)C1CC(C)CCCCC1(C)C,0,GDB ChEMBL
79326,O=C([O-])C(=O)Cn1cc(CO)nn1,1,GDB ChEMBL
187181,CCC(CC(C)C1C=CCC1=O)C(C)(C)C,0,GDB ChEMBL
147219,Cc1ccc(CCc2cc(C=O)c[nH]2)cc1O,1,GDB ChEMBL
344266,COC(C)CC(=N)N(C(N)=O)C(=O)CO,1,GDB ChEMBL
210716,C1CC2OCC[NH2+]CC3C(C1)C23,0,GDB ChEMBL
84959,Nc1ncc(O)cc1Cn1ncnc1N,1,GDB ChEMBL
127683,CCOC1(C(C)(CC)C(C)C)C=C(C)CC1,0,GDB ChEMBL
381465,CC1CC2COCC1C(C(N)C#N)CCCO2,0,GDB ChEMBL
374217,CCC(C)c1cc2c(F)cccc2s1,1,GDB ChEMBL
336029,NC(=O)c1nc(I)nc(N)c1C(=O)C(=O)[O-],0,GDB ChEMBL
132442,CC[NH+]1CC(C(C)(C)C)CCC1CC(F)(F)F,0,GDB ChEMBL
340550,C=C(C)C1CC=C(C)C[NH2+]C(C)C1,0,GDB ChEMBL
266231,CCC(CC#CC#CCO)OC,1,GDB ChEMBL
221162,COCCC(C)[NH2+]C1CC2C=CC1(C)C2,0,GDB ChEMBL
345701,CC1=C(C(N)=O)C(C)(CO)C(C2CC2)[NH2+]C1,0,GDB ChEMBL
257436,CC1CCC2C=CC1CCCC2C,0,GDB ChEMBL
151809,[NH3+]C1c2cc(Br)c(O)cc2NC12CC2,0,GDB ChEMBL
222140,CCn1c(C)c(O)c2c(C=O)c(CO)sc21,0,GDB ChEMBL
334610,C#CC1CC(C)OC1(C)CC(C)C(CC)CO,0,GDB ChEMBL
137405,COCCC1(CO)N=C(N)OC1COCC[NH3+],0,GDB ChEMBL
190090,C#CC1CC(CCC)[NH2+]C1C(C)C,0,GDB ChEMBL
235650,CNC(C(O)C[NH3+])C(N)(CNC=O)C(N)=O,0,GDB ChEMBL
374922,CCc1c(CC(C)(C)CC)ccc(C)c1Cl,1,GDB ChEMBL
214433,[NH3+]C(CS(=O)(=O)[O-])C1C(=O)OCC1O,0,GDB ChEMBL
363560,C#CC1(O)C(CC(=[NH2+])NC)COC1C(N)=O,0,GDB ChEMBL
32058,CC(C#N)(C(=O)[O-])C1CC=CC1,0,GDB ChEMBL
103476,COC(=O)c1oc(CO)c(OC)c1N,0,GDB ChEMBL
33137,C#CCC(CC)CC(C)CNC(=O)C(C)C=O,1,GDB ChEMBL
84512,CC([NH3+])C1C=C2CCCC(C2)[NH2+]CC1(C)C,0,GDB ChEMBL
56643,CCCc1c(Cl)c(C)cc(C)c1C(C)(C)CC,1,GDB ChEMBL
151180,C#CC[NH+](CC)CCO,1,GDB ChEMBL
87028,Cc1c(F)c(C2CCC2)cc(F)c1CO,1,GDB ChEMBL
228430,CN1CCOC(CC(=O)[O-])C1(C)C#N,1,GDB ChEMBL
214879,N#CC1c2cncn2CCC1C[NH3+],0,GDB ChEMBL
43508,NS(=O)(=O)OCC1C2C(=O)NCCN12,1,GDB ChEMBL
208587,CN1CC(n2cc(N)c([O-])n2)C(=O)NC1=N,0,GDB ChEMBL
386174,CC(O)C1CC2OC2C1C[NH3+],0,GDB ChEMBL
383827,CC([NH3+])C1CC12OC(=O)NCC([NH3+])C2O,0,GDB ChEMBL
398814,CC1=C2C[NH2+]C2CCCOc2ncccc21,0,GDB ChEMBL
160331,CCCCC12C(C[NH3+])C1CCC2(C)C,0,GDB ChEMBL
114817,C#CC[NH+](CC)CC12CCC(C1=O)C(C)(C)C2,0,GDB ChEMBL
26965,CCOC1C=CC(C)(C)C1(CC)CC#N,0,GDB ChEMBL
352600,COC(C(=O)[O-])C1([NH3+])C(O)C1C[NH3+],0,GDB ChEMBL
222080,CNc1cc(Br)c(C(C)C)c2c1C1CN2C1,1,GDB ChEMBL
204369,CCOC(C)(C)CC1OCC(=O)O1,1,GDB ChEMBL
156755,CN(C)C(=O)C(=O)C1=CCOC(C)(C)C1,0,GDB ChEMBL
200956,COC12CCC(C)C1C(CC[NH3+])[NH2+]C2,0,GDB ChEMBL
134435,Cc1cc(CC2CCOC(C)C2O)ncc1Cl,1,GDB ChEMBL
319185,C1CC2CC3CC(C1)C(CCO3)C2,0,GDB ChEMBL
396096,C[NH2+]CC(C[NH3+])(COC=O)CC(C)C[NH3+],0,GDB ChEMBL
38578,CC1CCCCN2C3C(C)[NH2+]C1C32,0,GDB ChEMBL
289782,C#CCCc1cc(CC)cc(I)c1C,1,GDB ChEMBL
280598,CC(O)(CCO)C(C=O)C1CC1,1,GDB ChEMBL
320456,CC12CC13C(=O)NC2CC3C[NH3+],0,GDB ChEMBL
284708,CC(CC(N)=O)NC1(C)C2[NH2+]CCC21O,0,GDB ChEMBL
179133,CCC(C)C1(C)CC2CC(C)OCCC1C2C,0,GDB ChEMBL
361822,Cc1nc(OC2CC2)c([O-])c(=O)[nH]1,0,GDB ChEMBL
81154,CCC1CC=CC1CC(C)C(F)(F)F,0,GDB ChEMBL
89321,CC12CCCC3C(COCC31)C2,0,GDB ChEMBL
127937,CCCOC(CO)C1OC(=N)C=C1C,0,GDB ChEMBL
77534,C[NH2+]C(CO)C1N=C(N)OC1CO,0,GDB ChEMBL
117350,C=CCC1=CCC=CCC(CC)C1,1,GDB ChEMBL
304857,Cc1nc(Cl)c(C2CC(C)CCC2C)cc1Cl,0,GDB ChEMBL
4855,CC(CO)Nc1ncnc(=N)cn1,0,GDB ChEMBL
24763,CC1CCC2C(=O)NC3C1C23,1,GDB ChEMBL
351154,CCC([NH3+])CCC1C[NH+](CC)C1,0,GDB ChEMBL
193243,C[NH2+]CC12OC1CC1C=CCC12C,0,GDB ChEMBL
198664,CC(=O)NC1CC(C)(O)CC12NC2C#N,0,GDB ChEMBL
33278,COc1cc(N)c(NC=O)c(I)c1C,1,GDB ChEMBL
50367,CCN=C(OCC)c1c(Cl)cc(Cl)nc1NC,1,GDB ChEMBL
80292,C#CCc1ccc(CC)c2c(CC)cccc12,1,GDB ChEMBL
312229,CCC(CO)C(=O)NC(C)C1CS(=O)(=O)N1,1,GDB ChEMBL
339274,N=C(OCC(C=O)CC[NH+]=C(N)N)C(=O)[O-],0,GDB ChEMBL
118424,CC1(CC(O)CO)CC[NH2+]CC1,0,GDB ChEMBL
225355,NC(=[NH2+])CC(=O)OCCS(=O)(=O)[O-],0,GDB ChEMBL
94630,CC1N(C)C2CC1(C(=O)[O-])NC2=[NH2+],0,GDB ChEMBL
119687,C#CCN1CC[NH2+]CCC1(C)C(C=O)OC,0,GDB ChEMBL
152607,CC[NH2+]CCCS(=O)(=O)C(N)=NC,0,GDB ChEMBL
252547,C#CCC1CC2C([NH2+]C)CC1N(CC[NH3+])C2C,0,GDB ChEMBL
318139,COC1C(C)OCOC(=O)C1C(=O)[O-],0,GDB ChEMBL
193241,CCN(C(N)=[NH2+])C(CN)CC(O)CO,0,GDB ChEMBL
343966,C[NH2+]C1CC(O)C2[NH+](C)C(C)CCC12C,0,GDB ChEMBL
398157,CC1C2CCCC(CCC3CCC1C3(C)C)C2,0,GDB ChEMBL
120371,C#CC(C#N)(CCO)CCCC,1,GDB ChEMBL
62554,COc1cc(O)c(C=O)c2c1C(C)=CCC2,0,GDB ChEMBL
184939,COCC#CC1CCNC1(C)C#N,0,GDB ChEMBL
48528,CCCC1C2CCC2(C)C[NH+]1CC,0,GDB ChEMBL
66193,C#CC1(C(C)CC(C)=O)CO1,1,GDB ChEMBL
276282,CCC1=CCCC[NH2+]CC(C)C1,0,GDB ChEMBL
84252,CC(=O)NCC1CC2C=C(C)C(C)C2(C)C1,0,GDB ChEMBL
304490,CCN1C(C(N)=O)C12CC[NH+]=C(N)NC2,0,GDB ChEMBL
147284,CNC(=O)C(C)C(=O)NCCc1n[nH]c(N)n1,1,GDB ChEMBL
22518,CC(CO)C1OC(CO)C(O)C1OCCCO,0,GDB ChEMBL
237996,CC(=O)C(C)=C(C)NC(=O)C(N)=O,0,GDB ChEMBL
354569,CC1Cc2c[nH]nc2C(O)CCOC1C,0,GDB ChEMBL
164702,CC[NH2+]C1CC(C)C2C(N)(C#N)C12C[NH3+],0,GDB ChEMBL
201156,COC(C(C)C)C(C=O)[NH+]=C(N)N,0,GDB ChEMBL
1499,C#CCOCC(CC)(CC)N1C=[NH+]CC1CO,0,GDB ChEMBL
228419,CC(=O)N1C(=O)C2C(N)C1CC[NH+]=C(N)N2C,0,GDB ChEMBL
79545,C#CC1CCC(C)(CCCC(C)C)CC1CO,0,GDB ChEMBL
394883,C=CC[NH+]=C(COC)NCC(=C)C,0,GDB ChEMBL
271097,C1CC2C3C[NH+](C1)CC2C1CC13,0,GDB ChEMBL
182239,CC1=C(c2ccc(F)cc2F)CC(C)C1,1,GDB ChEMBL
28344,NC(=O)OC(C[NH3+])C1NC(=O)C=CC1O,0,GDB ChEMBL
188124,N#CCN1C2C(O)C3OC2C(O)C31,0,GDB ChEMBL
37150,CCCC(C)(CC1(CCC)C(C)C1C)OC,0,GDB ChEMBL
246794,CCCC1[NH2+]C2CCC1C2C,0,GDB ChEMBL
119406,CCOC(C)C(O)CC(CN)(C[NH3+])S(N)(=O)=O,0,GDB ChEMBL
280276,CC(C)C(c1ccc(O)cc1)C(C)C,1,GDB ChEMBL
389597,Cc1cc(N)c(CO)c(C)c1C1=CCCC1,1,GDB ChEMBL
17319,CC1CC=CCC2CC(C2)[NH2+]1,0,GDB ChEMBL
234880,CCOCCc1ccc(Br)c(CO)c1C,1,GDB ChEMBL
352819,CCCc1cccccc2nc(c1)OCC2,0,GDB ChEMBL
33134,Cc1nc(NCCCCO)sc1O,1,GDB ChEMBL
177896,NC12C3C[NH2+]C1C2NC(=O)CC3O,0,GDB ChEMBL
310140,CCC([NH3+])C1(C#N)CCN(C)C1,0,GDB ChEMBL
155116,CCC1COC(=O)NC1c1csc(O)n1,0,GDB ChEMBL
308724,CC1CC(C)(Cn2cccc2)CC2CCC1[NH2+]2,0,GDB ChEMBL
110215,C#CCCc1cc([C-](C#N)C#N)n(C)n1,0,GDB ChEMBL
227571,C#CCCC(=C)CCC(C)(C)C#N,1,GDB ChEMBL
304354,C=C(C)C(CC)CC(C)NS(C)(=O)=O,1,GDB ChEMBL
239328,CCOc1cc(C(=O)[O-])c[nH]c(=O)c1=NO,0,GDB ChEMBL
164670,O=C([O-])c1ncc2nc(Cl)cc(Cl)c2n1,0,GDB ChEMBL
386182,NC(=O)OC1CNC(=O)OC2OCCC(O)C12,0,GDB ChEMBL
235529,CC1CC(=[NH2+])NC1C1CCOC(=O)CCOC1,0,GDB ChEMBL
304472,CCCC1CCC([NH3+])COC2CC2C1C[NH3+],0,GDB ChEMBL
44666,Cn1cc2c(n1)CN=C2N,1,GDB ChEMBL
201087,CCC(C(C)CCO)C1C=CC(C)C1O,0,GDB ChEMBL
366542,COCc1c(O)cc(=O)[nH]c(=O)c1C,0,GDB ChEMBL
97762,CCC(C#N)C1C2[NH2+]CCC(C)C21,0,GDB ChEMBL
316749,C#CC(C)OCCC,1,GDB ChEMBL
249487,OCc1cc(NCCC2CO2)no1,1,GDB ChEMBL
182484,CC(C)CNC(=O)CC1(C)NC(=O)C(C)C1[NH3+],0,GDB ChEMBL
159719,CCCc1c(C)c(C)cc(Cl)c1CCC(C)C,1,GDB ChEMBL
200616,CCC1CC2OC1CC[NH2+]C2C,0,GDB ChEMBL
393538,C#CCC1C(C)CCC(C(C)C)C1C(C)C[NH3+],0,GDB ChEMBL
354340,CC1=CCNc2ncc(Cl)c(C)c2C1,1,GDB ChEMBL
87105,CC(CCCCO)C1C[NH2+]1,0,GDB ChEMBL
311643,[NH3+]C1CCC2CCc3occc3C1O2,0,GDB ChEMBL
362566,C#CCCCC1(C)NC(C(=O)[O-])COC1=NC,0,GDB ChEMBL
89390,CCC(c1cccc(Cl)c1C)C(CC)C(C)C,1,GDB ChEMBL
342628,C#CC(=O)Nc1c(N)noc1COCC,0,GDB ChEMBL
181681,N#CC1(CCO)C=CC(O)C1,1,GDB ChEMBL
193756,[NH3+]C1CC2OCC1n1nncc1CNC2=O,0,GDB ChEMBL
120718,Cc1[nH]cc(OC2(C)CCC2)c1S(N)(=O)=O,1,GDB ChEMBL
133975,C#CC1NC2C[NH2+]C1CC2CC,0,GDB ChEMBL
368395,CCCC(O)CC12C=CC(C[NH2+]CC1)C2,0,GDB ChEMBL
246829,C#CC(O)C(C)(C)C(CC)C1CN1CC,0,GDB ChEMBL
127657,CN1CC=C2C(=O)CC([NH+](C)C)C2C1=O,0,GDB ChEMBL
283232,COCCCC#CC1CC2(CC=CC2O)C1,0,GDB ChEMBL
191305,CC(O)C(C)CCCC1C(=O)C2[NH2+]CC1C2O,0,GDB ChEMBL
122949,CC1COCC=C(C#N)NC(=O)CC(O)C1,0,GDB ChEMBL
361645,COC(=O)NC(CC(C)[NH3+])C(N)C(F)(F)F,0,GDB ChEMBL
180040,COC1C(C(N)=O)C(C(N)=O)N2CC12,0,GDB ChEMBL
94743,CNC(=N)N1C(=O)C([NH3+])C2C(O)C21,0,GDB ChEMBL
189771,CCC12CCOC1C(C)(C)C1CCCC[NH+]1C2,0,GDB ChEMBL
21687,CN1C(N)=[NH+]C2COC(C([NH3+])C2O)C1C(=O)[O-],0,GDB ChEMBL
54801,NC(=[NH2+])NC1COC2CNC2C1=O,0,GDB ChEMBL
5246,COCC1C(=O)NC2C3NC(=[NH2+])OC132,0,GDB ChEMBL
115166,CC(C)CC(C)N(C)c1cccs1,1,GDB ChEMBL
218336,CCCCC(C)C1CC2(CCC)CC1C2,0,GDB ChEMBL
4994,C#CC1CC(CC)CC=C1C(C)CCCC,0,GDB ChEMBL
147212,C#CC(C#C)C(C)(C)C(C)(CC)C1CCCC1,0,GDB ChEMBL
29916,CC1([NH2+]CCC(O)C(N)=O)CCOCC1,0,GDB ChEMBL
40311,CC1=C2C(=O)N(CC[NH3+])CC(C)C2C(C)N1,0,GDB ChEMBL
191554,CC(C)OC1C[NH+](C(C)(C)C)C1C(C)O,0,GDB ChEMBL
65588,Cc1coc(CC(=O)C2CC2)n1,1,GDB ChEMBL
214393,C[NH2+]C1CCN(CC2(O)CC2C)C1=O,0,GDB ChEMBL
366781,CC#CC#CCc1c(Br)ccc2c1CCC2,1,GDB ChEMBL
23930,C1CCC23CC(CC2C3)OC1,0,GDB ChEMBL
385427,C#Cc1cc2ccc(N)c(Cl)c2cc1Cl,1,GDB ChEMBL
204661,NC(=O)C1CC([NH3+])C1(N)CC([NH3+])C(=O)[O-],0,GDB ChEMBL
258282,CC(=N)Nc1nc(C)nc(C)c1N(C)C(N)=O,1,GDB ChEMBL
84571,COC1C(=O)OC2CCC1[NH2+]C2,1,GDB ChEMBL
272543,COC1C(C)CC2CCCC2C1C,1,GDB ChEMBL
182518,CCC1(C)C=CC=C(C)C(=O)OC1,0,GDB ChEMBL
181411,CC([NH3+])CC1CC2CC2N(C)C(=O)CN1,0,GDB ChEMBL
304374,CCC(O)C1CC(NCC[NH3+])C(C#N)N1C=[NH2+],0,GDB ChEMBL
332349,c1cn(C2COC2)cn1,1,GDB ChEMBL
77786,CC1=C2CC[NH2+]CCC1NC(=O)CC([NH3+])C2,0,GDB ChEMBL
173158,CC=C1C(CC)CCCC(=O)C1C,0,GDB ChEMBL
328928,C[NH2+]C1CC([NH3+])C(O)C2(CC(N)=O)OC12,0,GDB ChEMBL
181581,CC1C(O)CC(CC(=O)[O-])C1C,0,GDB ChEMBL
127268,CC1=CC2CCCOC(C)C2C(C)C1,0,GDB ChEMBL
341874,Clc1cc2c(cc1Cl)CCC=CC#CC2,0,GDB ChEMBL
148755,CCC12CC(C)NC1(C#N)CC(C)[NH+](C)C2,0,GDB ChEMBL
113484,CC(CCC(C)(C)C(C)C)c1ccccc1F,1,GDB ChEMBL
316432,CNc1ncnn1-c1ncc(Cl)cc1OC,1,GDB ChEMBL
40252,CCC1C2C=CCCCCC(C)C(C2)C1C,0,GDB ChEMBL
80235,CC1C(CC#N)NC2COCC2NC(=O)C1O,0,GDB ChEMBL
299953,CC#CC(O)(C[NH3+])CC(=O)[O-],1,GDB ChEMBL
37119,CCC(CCO)C(O)C1CC1([NH3+])C(=O)[O-],0,GDB ChEMBL
175858,[NH3+]C(CO)Cc1cc(NC=O)on1,0,GDB ChEMBL
242928,COCC(C)CN1CC(O)C(O)C(C)CC1=[NH2+],0,GDB ChEMBL
248235,COCC(N)C1CC(C)[NH2+]1,0,GDB ChEMBL
300131,CCC(O)CC(C)C1CC(C)C1(C)C,1,GDB ChEMBL
202789,O=C1CNCC2(CC2(O)c2nccs2)O1,0,GDB ChEMBL
271014,CC(CC1(CO)[NH2+]CCC1N)C1CC1,0,GDB ChEMBL
227956,CNC(=O)C1CC1C([NH3+])CS(N)(=O)=O,1,GDB ChEMBL
381486,CC([NH3+])c1c(N)cc2c(c1F)C=CCC2,0,GDB ChEMBL
127163,CNC(C[NH3+])C[NH+]=C(N)N,0,GDB ChEMBL
203448,CCC#CCc1nc(OCC)ccc1O,1,GDB ChEMBL
159715,CC1(O)CCc2nsc(n2)NC(=O)CNC1,0,GDB ChEMBL
234413,CS(=O)(=O)NC1C(O)CC(C[NH3+])C1O,0,GDB ChEMBL
175680,COC1(C)CCC2C3CC(C(=O)O3)C21C(N)=[NH2+],0,GDB ChEMBL
342636,Cc1cc(C2CC3=C(CCC3)C2)co1,0,GDB ChEMBL
225028,C#CC1CC2CC[NH2+]C1C(N)CC2O,0,GDB ChEMBL
344274,C#CC(O)CCOCCC(C)C([NH3+])CN,0,GDB ChEMBL
276266,N#CCn1cc(OC2CC2)c(F)cc1=O,1,GDB ChEMBL
25134,NC(=O)C1NC(C=NO)C1CNC(=O)CO,0,GDB ChEMBL
83135,CC(CC#N)C1[NH2+]C(C)C2OC12,0,GDB ChEMBL
196760,CN(CC#N)S(=O)(=O)CC(CN)NC(N)=[NH2+],0,GDB ChEMBL
84235,CCC(CC(C)=NO)C(CC1CC1)[NH+](C)C,0,GDB ChEMBL
334683,CCC(C[NH3+])N1CC1C(O)C[NH3+],0,GDB ChEMBL
115597,C#CC(C#C)c1nc2c(cc1C)CC(CC)C2,0,GDB ChEMBL
337164,C[NH2+]C1COC(=O)C1c1nn[n-]n1,0,GDB ChEMBL
257993,CC1CCC(C)[NH+]1CCC1(C(C)C)CO1,0,GDB ChEMBL
179318,O=C1NCCC(O)C2NS(=O)(=O)OC12,0,GDB ChEMBL
255116,C[NH+]1CCCC(=Cc2cc[nH]c2)C1,0,GDB ChEMBL
115742,CN=C(CC(=O)[O-])NC(C)=[NH2+],0,GDB ChEMBL
286833,CC1CCC([NH3+])C2CCC([NH3+])C(O)C12,0,GDB ChEMBL
46876,CC[NH2+]CC1=NC(C)(C)COC(=O)N1,0,GDB ChEMBL
132830,CC[NH2+]C12CC1C(C)C(O)C2CS(N)(=O)=O,0,GDB ChEMBL
148225,CCC(O)C1C([NH3+])CC([NH3+])C(C(C)C)OC1C,0,GDB ChEMBL
228887,CCC(C)C[NH2+]C1(C2CC2)CNC1,0,GDB ChEMBL
103876,CCC1CC2(C)CC1C=CC2CC(C)C,0,GDB ChEMBL
208456,CCCc1c([O-])c(I)cc2c1CCC2=O,0,GDB ChEMBL
96039,C[NH+]1CC2CC(CC1C(=O)[O-])NC=[NH+]2,0,GDB ChEMBL
38871,C[NH2+]C1CCC2COC1C1C(O)C=CCN21,0,GDB ChEMBL
243755,CCC1(C[NH2+]C)C2CCCC1(C)C(CN)[NH2+]C2,0,GDB ChEMBL
351200,CCC1CC2CC([NH3+])CC(C1)C2C(C)(C)C,0,GDB ChEMBL
140136,NC(=[NH2+])NC1CCCOCC1OC(N)=[NH2+],0,GDB ChEMBL
227736,C=C(C)C1C(C)CC2CCC(O)C21,0,GDB ChEMBL
363199,CC1C(CO)C2C1CC1C[NH+]2CCO1,0,GDB ChEMBL
177286,OC1CCCC2(CCC1)CCC2,1,GDB ChEMBL
38212,CC(O)(CC(=O)[O-])C1(C#N)CC(O)C1=NO,0,GDB ChEMBL
375716,CCOCC(C)(C)C[NH+](C)C1CCC=C1C,0,GDB ChEMBL
124569,CC(C)C[NH2+]CC1=CCC(C)C1,0,GDB ChEMBL
339212,CNC(C#N)C1CNC(=O)OC(CO)C1CO,0,GDB ChEMBL
265474,CCOC1=NCC(NC=O)c2ccc(F)cc21,1,GDB ChEMBL
297010,CCC1CC#CC=C(C)CC(C)CC[NH2+]1,0,GDB ChEMBL
180954,[NH2+]=C1NCC(O)C(O)CN1,0,GDB ChEMBL
294464,CCC1C(C)(O)CCC(C)CC(O)C1(C)OC,0,GDB ChEMBL
60973,CC(O)COC1OC2CNC(=[NH2+])NC1C2,0,GDB ChEMBL
128309,CCc1cc(F)c(OC)nc1F,1,GDB ChEMBL
294779,Cc1ccc2c(c1)CCN2C,1,GDB ChEMBL
29803,C[NH2+]C1(C)CC(O)C2CC(C(C)C)CC21,0,GDB ChEMBL
148927,O=C([O-])C1C=C(N2C=NCC2=O)COC1=O,0,GDB ChEMBL
142361,CC#CCNc1ccncn1,1,GDB ChEMBL
70795,CC1CC(O)(C2C[NH2+]CC(C)N2C)C[NH2+]1,0,GDB ChEMBL
358920,CC(=O)S(=O)(=O)CC[NH2+]C(C)C(=O)[O-],1,GDB ChEMBL
184268,CC(C[NH2+]C(CN(C)C=O)C(C)O)NC=O,0,GDB ChEMBL
325878,C#CC1([NH2+]C)C(C(=O)[O-])C1C(C)O,0,GDB ChEMBL
26586,CCc1nc(C[NH3+])sc1C(N)=O,1,GDB ChEMBL
118462,COC(=O)c1cncc(F)c1CC(N)=O,1,GDB ChEMBL
42281,CCC1C#CC=CCC[NH+](C(CC)CC)C1,0,GDB ChEMBL
170430,[NH3+]Cc1cnc(=O)nc([O-])c1,0,GDB ChEMBL
41308,Cc1c(F)c(N)nc(OCC(=O)C(=O)[O-])c1F,0,GDB ChEMBL
210987,CC1CC23C[NH2+]CC2C1OC(=O)C3,0,GDB ChEMBL
852,CN1CCC2[NH2+]C(C(=O)[O-])CNC(=O)NCC21,0,GDB ChEMBL
31310,CC1[NH2+]CCC2=CC(C1O)N(C=O)C2,0,GDB ChEMBL
197042,CN(C)C(=O)CC1CC2([NH3+])CC[NH+]1CC2,0,GDB ChEMBL
344385,CCC[NH+]1CC(C#CC=NO)(CCOC)C1,0,GDB ChEMBL
318551,CCC1(C)C2C(C)CCC(C2C)C1C(F)(F)F,0,GDB ChEMBL
204300,CNc1[nH+]c(N)c(S(=O)(=O)[O-])cc1N,0,GDB ChEMBL
16712,CCCC1CCC(CC)C(C)CC(C)C1,0,GDB ChEMBL
300938,CC(C)OCC(C[NH3+])OC(N)=[NH2+],0,GDB ChEMBL
160968,CCc1cc(CC(C)(C)C)cc(Br)c1O,1,GDB ChEMBL
21675,CC[NH+]=CNC(C)C(C#N)CC(C)C,0,GDB ChEMBL
39726,CC1C2C([NH3+])C(O)C1(C)CC(C[NH3+])N2C,0,GDB ChEMBL
27973,NC(=[NH2+])NCCC(O)C1CC[NH+]=CN1,0,GDB ChEMBL
59698,N#Cc1c[nH]c(CN=C2NCCN2C(N)=O)c1,0,GDB ChEMBL
325875,C[NH+](C)C1CC(CO)C1,1,GDB ChEMBL
137062,CCC[NH+]1CC[NH2+]CCCC2C(C)C21,0,GDB ChEMBL
151127,CCC([NH3+])C1([NH3+])CCOCC1,0,GDB ChEMBL
34259,CC1CCCCC=CC2(CC2)C1C(C)(C)C,0,GDB ChEMBL
44334,CCC1C(C)C=CC1C1CCCC1(C)C,0,GDB ChEMBL
181360,CCOCC1[NH2+]CCC(O)C2OC12,0,GDB ChEMBL
386628,[NH3+]CCc1nccc(Br)c1N1CCC1,0,GDB ChEMBL
173179,NC(=O)NC1C(O)C2CC(O)(C(=O)[O-])C1O2,0,GDB ChEMBL
225084,C#CC1=C(C)C2(CCC2)C(C)N(CC)C1=O,0,GDB ChEMBL
53652,C[NH2+]C1(CC(N)=O)CC(C)C(C)OC1CCO,0,GDB ChEMBL
240520,[NH2+]=C1NC2C(CC(=O)[O-])C(O)COC1C2C[NH3+],0,GDB ChEMBL
367817,C#CC12CCC(OC(C)C[NH2+]CCC1C)C2=O,0,GDB ChEMBL
140259,Cc1cc(F)ccc1N=C(N)c1cn(C)cn1,0,GDB ChEMBL
71260,CC12CC=CC1CC(CO)C2,1,GDB ChEMBL
285581,CN1CCC(O)C2C([NH3+])C21CCO,0,GDB ChEMBL
76500,Cc1ccc(C)[nH]c2c(O)cc(I)cc2nc1,0,GDB ChEMBL
118725,COCC(NCc1nn[n-]n1)C(N)=[NH2+],0,GDB ChEMBL
297037,C#Cc1ccc(Br)c(Br)c1CCC#CC,1,GDB ChEMBL
37148,CC1CC1C(O)CC(N)=[NH2+],1,GDB ChEMBL
142375,CC12C[NH+]=C(N)C1CCC(O)C2,0,GDB ChEMBL
305595,CC[NH2+]C1C2CC(C[NH3+])OCC21N,0,GDB ChEMBL
118108,CC1(C)N(C(N)=O)C(CO)C1(O)C(=O)[O-],0,GDB ChEMBL
135843,C#CCC1CC(CC(N)=O)(OC)CNC=[NH+]1,0,GDB ChEMBL
48493,C[NH2+]CC1CC2COC1(C)CN2C(C)=O,0,GDB ChEMBL
186721,CCCc1cnc(C)c(C)c1,1,GDB ChEMBL
319320,C1=C2CCc3ncnc(c32)NC1,1,GDB ChEMBL
186680,CCCC1C2C3CC3C1C2C[NH3+],0,GDB ChEMBL
273685,CCCC(C)(CCC)CC1CCC2CCC1C2,0,GDB ChEMBL
212582,CC#CC1CCOC(=O)C=C(C2CCC2)C1,0,GDB ChEMBL
87145,N#CCC1=CCc2ccsc2CCC1,1,GDB ChEMBL
139846,C#Cc1c(I)cc(CCO)cc1CC#N,1,GDB ChEMBL
26036,C[NH2+]C1CCC2C[NH2+]C2C1,0,GDB ChEMBL
142562,C[NH2+]C1CC(O)C2OC12C(=O)OC,0,GDB ChEMBL
280738,CCC12CCCC(CCCCC(C)C1)O2,0,GDB ChEMBL
6102,[NH3+]C1CCC2CCC=CC=C2C1,0,GDB ChEMBL
307503,CC12CC(O)C3C(NC1=O)C32[NH3+],0,GDB ChEMBL
348426,N#CCN1C=[NH+]CC=C(C(=O)[O-])CC1,0,GDB ChEMBL
77045,CC1C(CO)OC2COC1C([NH3+])C2O,0,GDB ChEMBL
141972,C1=CC2CN(C1)C1CCCC[NH2+]C2C1,0,GDB ChEMBL
123035,CC(C)(CC(O)C1CO1)[NH2+]CCO,0,GDB ChEMBL
234445,CCC1C(C=O)CCC1(C)O,1,GDB ChEMBL
353251,CCC1(C=O)CC[NH+](C)C1C,0,GDB ChEMBL
203426,C#CCOc1c(I)ccc2[nH]c(C)cc12,1,GDB ChEMBL
177104,CN(C)CC([NH3+])C1C=CC(C)(C)C1,0,GDB ChEMBL
44100,C[NH2+]C(COCC(C)(C)C)Cc1ncco1,1,GDB ChEMBL
156765,CCC(O)C1(C(N)=O)C2OC(C)C1C2[NH3+],0,GDB ChEMBL
27784,N=C(N)NC(=O)C(C(=O)[O-])C([NH3+])CO,1,GDB ChEMBL
118830,O=CNC1C(=O)NCC1(O)C(=O)[O-],0,GDB ChEMBL
285113,CCC1C(=O)N(C)CCC2=C1COC2,0,GDB ChEMBL
152493,N#CCCOc1cc(F)ccn1,1,GDB ChEMBL
21438,C#CC12Cc3cc(Cl)cc(C)c3C1C2,1,GDB ChEMBL
179484,C#Cc1c(N)cc(Br)c(O)c1O,1,GDB ChEMBL
186761,Cc1cc(I)c(CCCO)cc1C,1,GDB ChEMBL
173923,CC1[NH2+]C2CC1OCC(O)C2O,0,GDB ChEMBL
292668,[NH3+]C1(C(=O)[O-])C2OC1C(O)CC2O,0,GDB ChEMBL
69618,CC=CCC1CC2C(=O)OC2C[NH2+]1,0,GDB ChEMBL
34752,C#CC1CN2CCC[NH2+]CCC(C)(C2)N(C)C1,0,GDB ChEMBL
108700,CC(=O)NC(=O)C(=N)NCCNC(N)=[NH2+],0,GDB ChEMBL
71981,O=S1(=O)CCCCC(C2CC2)N1,1,GDB ChEMBL
275675,C#CC1CCCC1(C)C(CC)C(C)(C)C,0,GDB ChEMBL
316290,N#CCC(=O)n1ncnc1N,1,GDB ChEMBL
112818,COC(C)C1C[NH2+]CCC2(C)CC12,0,GDB ChEMBL
346807,C=C1C[NH2+]C(C)C(C)(C(F)(F)F)C1,0,GDB ChEMBL
200567,NC1=NCC[NH2+]C(C(=O)[O-])C1O,0,GDB ChEMBL
249848,C1CC2C3CC4(C[NH2+]3)CC1CCN24,0,GDB ChEMBL
2100,CC(=O)Oc1c(N(C)C(C)C)cc[nH]c1=[NH2+],0,GDB ChEMBL
325925,CCc1cc2c(=O)ccc(N)c(OC)c2s1,0,GDB ChEMBL
40001,CC12CC(O)C(C1)OCCC2[NH3+],0,GDB ChEMBL
186559,O=C1NCc2scnc2C(=O)N1,1,GDB ChEMBL
112491,C#CCc1cc(I)c2c(c1)CCCCC(C)N2,1,GDB ChEMBL
188488,C=C1CC2OC2(C(=O)NCC)C1O,1,GDB ChEMBL
296989,C[NH+](C)C1C(O)CC(CC[NH3+])C1O,0,GDB ChEMBL
104365,N#CC1(C(=O)[O-])C=CC(=O)C1,1,GDB ChEMBL
210411,COC1C2C[NH+]3CC1C1C2C13,0,GDB ChEMBL
9983,C#CCN(C=[NH2+])CC([NH3+])CC(=O)[O-],0,GDB ChEMBL
10628,C#CC(C)(C)c1cnc(CC)c(CC)c1C,1,GDB ChEMBL
366499,Cc1[nH]nc(NC(=O)C(=O)[O-])c1C1(C)CC1,0,GDB ChEMBL
111511,N#CCCC(=O)CCS(=O)(=O)[O-],1,GDB ChEMBL
227574,COCC1CC(O)C([NH3+])(CO)C(C)(CO)C1,0,GDB ChEMBL
129798,CCC(OC)C1C2CNC(=[NH+]C)NC21,0,GDB ChEMBL
338493,CCCn1nc(N(C)C)c(OC)nc1=O,1,GDB ChEMBL
398784,CCNC(C#N)c1ncc(C(CC)CC)[nH]1,1,GDB ChEMBL
203219,CC1CCN=C2NC(C(=O)[O-])C3OC1C23[NH3+],0,GDB ChEMBL
278869,N=C1OCC([NH3+])CC(C(N)=O)C1O,0,GDB ChEMBL
84501,Cc1cc(F)cc2scc(O)c12,1,GDB ChEMBL
222131,CCOC1(C)C([NH3+])C2C1OC(=O)N2CC,0,GDB ChEMBL
362649,CC1(O)C(=O)C(NC(N)=[NH2+])CC2CC2C1O,0,GDB ChEMBL
77298,CCCC1OC2C(=O)C1C(O)C2CCCO,0,GDB ChEMBL
222068,CC1=CCC2COCC([NH3+])CC12,0,GDB ChEMBL
168405,CCCCC(C)CCC1CCCC1(C)NC=O,0,GDB ChEMBL
170392,COC1CCC2(O)CC(O)(CC1[NH3+])C2,0,GDB ChEMBL
179137,CC(Cc1cn[nH]c(=O)c1)OS(N)(=O)=O,1,GDB ChEMBL
398990,CC1=CC2CC1C1(C)CC[NH+]2C1,0,GDB ChEMBL
182529,CC12OC1C1NC(=O)OC1C2C[NH3+],0,GDB ChEMBL
275601,N#CC12CC1(C(=O)[O-])C[NH2+]CC2N,0,GDB ChEMBL
129807,CC[NH+]1CCC2CC1C1CC1CC2[NH3+],0,GDB ChEMBL
91177,C[NH+](C)C1CC2C(=O)OC(C)(C2=O)C1O,0,GDB ChEMBL
215698,C#CC1(O)CCC(OCCC)C1(C)C,1,GDB ChEMBL
195197,NC(=O)c1c[nH]c(CO)c1C[NH3+],0,GDB ChEMBL
300955,CC1CCC1(O)CCCOCC(=O)[O-],1,GDB ChEMBL
376987,CCNC(C#N)C(C)(C)OC,1,GDB ChEMBL
153732,CN(CCO)c1nc(O)c2n1CCC([NH3+])CN2,0,GDB ChEMBL
227919,CCNC(=N)N(C=O)CC(=O)CC(=[NH2+])NC,0,GDB ChEMBL
147992,NC(=O)CC(=O)c1cnco1,1,GDB ChEMBL
228298,C=C1COC(C)C(OC)C1C(=O)[O-],1,GDB ChEMBL
87670,CC1[NH2+]C2C(C1(C)C)C21CCC(O)CC1,0,GDB ChEMBL
20120,CCc1cc(Cl)c(N)nc1Cl,1,GDB ChEMBL
377941,CC([NH3+])C(CO)C1(C)C(C(N)=O)N1C,0,GDB ChEMBL
352663,CC1CC2(C)C(S(N)(=O)=O)N2CC(=O)N1,0,GDB ChEMBL
380257,CC1CC23CC2C1[NH+](C)CC3O,0,GDB ChEMBL
288530,C[NH2+]C1CC(C#N)NCCc2ncn(C)c21,0,GDB ChEMBL
225368,CC(NC1C(C#N)C1C#N)C(=O)[O-],0,GDB ChEMBL
186586,CCC(=O)CC1(C2=NCCCCO2)CC[NH2+]C1,0,GDB ChEMBL
152520,C[NH2+]C(C)CC(=O)Nc1c(I)cnn(C)c1=O,1,GDB ChEMBL
278016,CC(CNC(=O)C[NH3+])NS(C)(=O)=O,1,GDB ChEMBL
65951,N#CC1NCCCCCC(=[NH2+])NC1=N,0,GDB ChEMBL
381447,CCC1CC=C(C2CC[NH+](C)C2)C1,0,GDB ChEMBL
334030,CC[NH+](C)C(C)(CO)C1(C#N)CC1N,0,GDB ChEMBL
144592,Cc1c(Cl)cc(C[NH3+])c(C)c1CO,1,GDB ChEMBL
5021,COC(=O)C1C2COC1C(O)C(C)[NH2+]2,0,GDB ChEMBL
87011,CCC1C(C)COC1(CC)CCC(C)C,0,GDB ChEMBL
395952,CCC1(C)CC2[NH2+]C(C(C)C)C1C2OC,0,GDB ChEMBL
281655,CC#Cc1cc(C)c(I)cc1N,1,GDB ChEMBL
300209,NC1C(CO)[NH2+]C2C(CC(=O)[O-])C12O,0,GDB ChEMBL
119392,C#CC(C)c1c(I)cccc1CC(C)C,1,GDB ChEMBL
181129,CC1(CS(N)(=O)=O)CC(=N)NC1=O,0,GDB ChEMBL
288556,CCc1ccc(Cl)cc1C1=C(C)C2CC2C1,0,GDB ChEMBL
361156,CC[NH2+]C(CO)C1CC1C(O)C#N,0,GDB ChEMBL
277701,CCC12CC(CC[NH3+])OC(C)(CC[NH2+]1)C2,0,GDB ChEMBL
357628,[NH3+]CCC([NH3+])COc1c[nH]cc1S(=O)(=O)[O-],0,GDB ChEMBL
232112,C#CC1C2c3cc(Cl)cc(C)c3C1C2C,0,GDB ChEMBL
167318,COC1(C)C(N)=NC(C#N)C1OCC(=O)[O-],0,GDB ChEMBL
27951,CC1CCCCCC(C)(C)CCC1,1,GDB ChEMBL
140171,CCCC1CC2(C)CCCC2C(C)CC1CC,0,GDB ChEMBL
289282,CCC(=O)CC(C)C1CCC1,1,GDB ChEMBL
193794,CC1C=CCC[NH+]2CCOCC12,0,GDB ChEMBL
305569,NC(=[NH2+])CC(CCO)C[NH2+]CC=O,0,GDB ChEMBL
238161,CC(C)(O)CC(O)C1CC2(C)CC1OC(=O)N2,0,GDB ChEMBL
112812,CC1NC(=O)C2OCC3C(O)C123,0,GDB ChEMBL
345829,CC#CC1(CC2CCCCC2)CC1CCC,0,GDB ChEMBL
26308,C#Cc1cc(C)c(Cl)c(C(CC)CC)c1,1,GDB ChEMBL
271369,C[NH+]1CCC(C2OC3CC3O2)C1,0,GDB ChEMBL
22591,COCC1CC(C(=O)[O-])=C2NC(=[NH2+])CC21,0,GDB ChEMBL
1933,CC1CC2CC3CC(C3)C2N1CC(F)(F)F,1,GDB ChEMBL
197039,C[NH2+]CC1(C(=O)C(N)=NCC(=O)[O-])COC1,0,GDB ChEMBL
290168,CCC(C)C1=NC(C=O)C([NH2+]C)C(O)CO1,0,GDB ChEMBL
111888,CC(C(N)=O)(C(N)=O)C(C#N)OC(N)=O,0,GDB ChEMBL
385987,C[NH+]1CC2(CNC=O)CCC(O)C1C2,0,GDB ChEMBL
3957,CC(=O)NC1CC2C3CCC(O)C32CC1=O,0,GDB ChEMBL
262226,COCC1[NH2+]CC2CC(=O)C1N(CC#N)C2=N,0,GDB ChEMBL
379882,CCS(=O)(=O)N1CCCC1C(N)=[NH2+],0,GDB ChEMBL
137121,NC(=[NH2+])C1CC2CN1C2C(N)=O,0,GDB ChEMBL
47669,COCC(=O)NC=NC1CC1,0,GDB ChEMBL
105079,CC1CCC2[NH2+]CC(C(=O)[O-])C2(C)N(C)C1=O,0,GDB ChEMBL
393577,CCC1OCC23NCC2(C(C)OC3=O)C1O,0,GDB ChEMBL
234226,COCC(C)[NH+](C)C12C=C(C)C(=O)C1(C)C2,0,GDB ChEMBL
207270,OCC1OC2CC1C1CCCC21,0,GDB ChEMBL
249527,COc1cc(Br)c(C)c2c[nH]nc12,1,GDB ChEMBL
147374,CC(C)C1CC(C)C2CCCCC1C2,0,GDB ChEMBL
241156,C[NH2+]C(Cc1conc([O-])c1=N)C(N)=O,0,GDB ChEMBL
362175,CCCN1CC2=CC(OC2=O)C(C)OC1=[NH2+],0,GDB ChEMBL
312547,CC(O)C(O)C1CS(=O)(=O)NC1C[NH3+],0,GDB ChEMBL
361764,CNC(=O)c1nnccc1N1CC(C)C1,1,GDB ChEMBL
383799,CCC1CC2(NC(C)=O)CC(OC2=O)C1C,0,GDB ChEMBL
146923,NC1C(=O)NC(=O)C1NCC(O)C[NH3+],0,GDB ChEMBL
308728,N#Cc1nc2c(N)ncc(Br)c2nc1O,1,GDB ChEMBL
305218,CC1(C2CCCC2)CCCC2CC=CCC21,0,GDB ChEMBL
251043,CCC1CCCC(CO)C2C[NH+](C1)CC2C#N,0,GDB ChEMBL
307525,CC1C(=O)OCC(OS(N)(=O)=O)C1[NH3+],0,GDB ChEMBL
208438,C#CC1C2CCC[NH+](C2)CC2CC(=O)NCC21,0,GDB ChEMBL
175520,[NH3+]CC(O)C(O)C1C2[N-]S(=O)(=O)C1OC2=O,0,GDB ChEMBL
366513,C[NH2+]C12CCC(O)CC1(C[NH3+])c1nccn1C2,0,GDB ChEMBL
194450,C#CCCC1[NH2+]Cc2c1cc(C)c(C)c2N,0,GDB ChEMBL
112528,CC1CC(C([NH3+])(CCS(=O)(=O)[O-])C(=O)[O-])C1,0,GDB ChEMBL
28317,CCC1=NC(C(N)=[NH2+])C(C[NH2+]C)O1,0,GDB ChEMBL
53840,[NH3+]C1C2NC(=O)C3C1C(O)C(O)C23,0,GDB ChEMBL
81021,C#Cc1c(I)ccc(C(C)(C)CCCC)c1C,1,GDB ChEMBL
330060,CC12CCC=CC1CCCCCC2,0,GDB ChEMBL
99647,CC(C)CC(C)C1CCC(C(C)(C)C)C1(C)C,0,GDB ChEMBL
118387,C#Cc1csccc1=Nc1cc(C)ccc1F,0,GDB ChEMBL
234980,CC1CC1N1C=[NH+]CC(=O)OCC1,0,GDB ChEMBL
152603,CCCCC(C)C(CC(C)(C)C)C(C)C(C)C,0,GDB ChEMBL
291887,CC(C)C1CC2C[NH2+]C1C2[NH3+],0,GDB ChEMBL
112616,OC1C[NH2+]C2CCCOC2C1O,0,GDB ChEMBL
230420,C#CC1C2CC=CCC1CCCC2,1,GDB ChEMBL
177338,CC1(C)C=CC([NH+]2CC=CC2)C1,0,GDB ChEMBL
23912,CCC1C(CC#N)C(C)(C)C(O)C1(C)C,1,GDB ChEMBL
337769,COC(=O)c1cn(CC#CC(C)(C)C)nn1,1,GDB ChEMBL
87502,C[NH2+]CCCC1CC(C)=CCC12CC2,0,GDB ChEMBL
317538,C#CC(CNS(C)(=O)=O)OS(N)(=O)=O,1,GDB ChEMBL
334738,C[NH+]=C(N)C1CC[NH+](C)C1CO,0,GDB ChEMBL
379677,C#CCCCC(=O)N1C=CC2(CC2)C1,1,GDB ChEMBL
280637,COC1C(O)C2C(=[NH2+])NC2C1C(=O)[O-],0,GDB ChEMBL
9913,C[NH2+]CC1C2CN2C(=O)C1(C)O,0,GDB ChEMBL
62816,CC1CC2NC(=O)CC2(C(=O)[O-])CC(O)C1C,0,GDB ChEMBL
319174,CCc1sc(OCC2(O)CC2)nc1C,1,GDB ChEMBL
255081,CC#CC1[NH2+]CCC(C)C=C(C)C1O,0,GDB ChEMBL
40392,CC(C#CC(C)(C)O)C1(C)CC[NH+](C)CC1,0,GDB ChEMBL
112537,Cc1[nH]nc2c1C(O)C(C(N)=O)O2,0,GDB ChEMBL
51837,CCc1ccc(Cl)c(CCO)c1,1,GDB ChEMBL
22022,CCCOC(C)CCC(C)C,1,GDB ChEMBL
116023,CC[NH+]1CCC2C(O)C21CC[NH3+],0,GDB ChEMBL
278021,CC1(C)CCC(C(C)(C)C)[NH2+]CCO1,0,GDB ChEMBL
179290,CC1C2CC(c3ccsc3)C(CN2C)[NH+]1C,0,GDB ChEMBL
38206,CCC([NH3+])c1c(N)oc2nc(N)nc(OC)c12,0,GDB ChEMBL
200594,CCN1CC1C(=O)CC(C)CO,0,GDB ChEMBL
115575,CCCCC12C=CC(C1)C1CCC(C)CC12,0,GDB ChEMBL
40373,CC(=O)CC1(O)CCC(C)C(NCC#N)C1,1,GDB ChEMBL
24271,Nc1cc(=O)c2nc(NC(=O)CO)ccc2s1,0,GDB ChEMBL
77536,CN1C(=O)NCC=C1CC(N)=O,1,GDB ChEMBL
1040,CCC1CC2(O)C(=O)CC([NH2+]C)C1C2C,0,GDB ChEMBL
28323,CCNC1C(C)(C#CCO)C1(N)C#N,0,GDB ChEMBL
112026,NC(=[NH2+])c1cnc(N)c(O)c1,0,GDB ChEMBL
302579,CC(O)CC(NC1(C)C[NH2+]C1)C(C)C,0,GDB ChEMBL
115619,CC1=CCOC1CC[NH2+]C1CC1,0,GDB ChEMBL
289971,CCC1(O)CC(Oc2c(C)ccnc2O)C1,1,GDB ChEMBL
20713,COC(=O)C1(C#N)C(=O)[N-]C2COC21,0,GDB ChEMBL
362336,COC1C([NH3+])C2CC[NH+](C)C21,0,GDB ChEMBL
108113,C#CCc1ccc2c(c1Br)C[NH2+]C2CC,0,GDB ChEMBL
122954,COCC(C=O)(C=O)C1(O)CCOC1C,0,GDB ChEMBL
387217,NC(=[NH2+])NCC1(N)CCS(=O)(=O)NC1,0,GDB ChEMBL
181403,CC1[NH+](C2CC2)CC2CC(O)C3=CCCC321,0,GDB ChEMBL
37308,CS(=O)(=O)N1C2CCOCC([NH3+])C21,0,GDB ChEMBL
377321,COC1C(C(CO)OC(C)C)[NH2+]CC1(O)CO,0,GDB ChEMBL
201495,C[NH2+]C1CC([NH3+])CC2(CO2)CC(C)(O)C1,0,GDB ChEMBL
209427,CCCC(CO)CCC1(CC)CCO1,1,GDB ChEMBL
228365,CCOC1C2OCC1C(=O)O2,0,GDB ChEMBL
132186,CCC1CCCC2(C(C)([NH3+])CC)C[NH+](C)C12,0,GDB ChEMBL
217145,N#C[c-]1c(C(=O)C(=O)[O-])c[nH]c1=O,0,GDB ChEMBL
181576,CC1(C)CCCCC=CC1[NH3+],0,GDB ChEMBL
217056,CCC(C)C1C(C)C1c1ccccc1F,1,GDB ChEMBL
260752,NC(=O)CN(C(N)=O)C1C2CC(O)C1[NH2+]2,0,GDB ChEMBL
299210,CC(C)N(C)c1ncco1,1,GDB ChEMBL
203771,CC(=[NH2+])NCC1(C[NH3+])CCC=CCC1(C)O,0,GDB ChEMBL
19603,C[NH2+]C1CC(C)Cc2nc(O)c(C)c(C=O)c21,0,GDB ChEMBL
362964,CCOCCNC(C[NH+]=C(N)N)C(C)=O,1,GDB ChEMBL
384827,CC1OC(=N)C(=O)N(C)C1C[NH3+],0,GDB ChEMBL
298093,Nc1nc(=O)cc2n1CC(CCO)NCC2=O,1,GDB ChEMBL
290104,CC([NH3+])C1C(=O)OC1(C)CO,0,GDB ChEMBL
40010,N#CC1C(CO)OC1C1CC([NH3+])CN1,0,GDB ChEMBL
302323,CC1C[NH2+]CC2(COC(N)=O)C(C)C(=O)N12,0,GDB ChEMBL
354458,CC1=CCCCCC(C)(C(C)(C)C)C1,1,GDB ChEMBL
160012,C#CCCc1csc(CC(=O)CN(C)C)c1C,1,GDB ChEMBL
204470,C[NH+]=C(N)CNc1cccc(C#N)n1,0,GDB ChEMBL
28209,CC12CC3NC(=O)NCC(CC1CO)C32,0,GDB ChEMBL
6498,CC#CC(CC)CCC1CC=CC1,0,GDB ChEMBL
190053,CC#CC(C1CC1[NH3+])[NH+](C)C(C)CC,0,GDB ChEMBL
139836,C#CCN1CC1(CO)CC(C)C,1,GDB ChEMBL
129805,CCCC(C)C1OCC=C1CC[NH2+]C,0,GDB ChEMBL
97132,CC(C)CC(C#N)CCC1CC=CC1C,1,GDB ChEMBL
124514,CC(C#N)C(NC(N)=O)C1CC(O)(C[NH3+])CO1,0,GDB ChEMBL
39813,C#CCC1C(C)C2CC1(C)C(CC)C2C,0,GDB ChEMBL
55520,NC(=O)C1CC1C(O)C1CN1,0,GDB ChEMBL
30339,CC1(CCS(N)(=O)=O)COC(=O)N1,0,GDB ChEMBL
129392,COC1C2CC2(C)C1[NH+](C)C,0,GDB ChEMBL
234988,CCOc1cc2ccc(=O)ncn2c1C(C)C,0,GDB ChEMBL
322000,C#CCCC(C(CC)CC#C)C(C)OC(C)C,0,GDB ChEMBL
189754,[NH3+]CC12COCC13C(C(=O)[O-])N3C(=O)O2,0,GDB ChEMBL
252572,CCc1c(C)cc(C(C(C)O)[NH+](C)C)cc1C,0,GDB ChEMBL
40931,CC1CC2CCCC(C1)C1CC(C)C(C)CC21,0,GDB ChEMBL
220142,CC1C2[NH2+]CCC2C2CCC[NH+]12,0,GDB ChEMBL
216190,C[NH2+]C(C)CC1(C)CC2C(=O)C1C[NH2+]CC2O,0,GDB ChEMBL
127746,CC(C)(C[NH3+])C1C2CC(O)CCC21C#N,0,GDB ChEMBL
175584,C#CCC1CC2CCCCC2(CC)C1C(C)C,0,GDB ChEMBL
174254,Cc1ccc(Cl)cc1-c1ccccc1,1,GDB ChEMBL
352218,C1[NH2+]C2CC1C1C3CC[NH+](C2)CC31,0,GDB ChEMBL
26364,CCC1CNC(OC2(C)CC=CC2)=N1,0,GDB ChEMBL
160036,CNC=[NH+]Cc1cnccc1C[NH3+],0,GDB ChEMBL
325710,CCC1C(O)C2CC2C1CC[NH2+]C,0,GDB ChEMBL
133325,CC(=O)NC1=CC(=O)C(O)C1N(C)C(N)=[NH2+],0,GDB ChEMBL
313770,C#CC1(C)CC(O)C(C(N)=O)NC1C(=O)CO,0,GDB ChEMBL
109169,CCN(C=O)C(=N)OC,1,GDB ChEMBL
216597,C[NH2+]CC(C)C(C)C(C)(C)C1C[NH+](C)CC1[NH3+],0,GDB ChEMBL
317165,Clc1cccc(C2CC3CC=CC4C3C24)c1,0,GDB ChEMBL
288662,CC1CN=C(CS(N)(=O)=O)NC(=O)C(=O)N1,0,GDB ChEMBL
109473,COC1OC(=O)C(N)C(C#N)(NC(C)=O)C1N,0,GDB ChEMBL
159689,O=C([O-])C1CC2OC2C1CS(=O)(=O)[O-],0,GDB ChEMBL
323353,CNc1cc(Cl)[n-]c(=N)[nH+]1,1,GDB ChEMBL
34418,COCCCn1ccc(=N)c(C=O)c1F,1,GDB ChEMBL
274155,C#CC1Cc2c(I)cc3c(c2O1)CCCC3,1,GDB ChEMBL
228848,CCC1CC2(C)CCCCCC2C(C)(C)[NH+]1C,0,GDB ChEMBL
271819,CCC1=C(C)CCC[NH2+]CC=C1,0,GDB ChEMBL
371740,CCC#CC1CC1c1ccc(C)c(C)c1Cl,0,GDB ChEMBL
24290,CC(C)C(CC[NH+](C)C)C1CCCC1C,0,GDB ChEMBL
124125,COC1C(O)C(CC[NH3+])N2CC12,0,GDB ChEMBL
378627,CCc1cc(C(N)=[NH2+])c2ccc(F)cn12,0,GDB ChEMBL
328862,CC1OC(=O)C2CC=C(CO)C(N2)C1C#N,0,GDB ChEMBL
153276,C#Cc1c(Cl)ncc(C#CCCC[NH3+])c1Cl,0,GDB ChEMBL
391337,CC(=O)N1C(=O)C(C)(COC2CC2)N=C1N,0,GDB ChEMBL
239127,C#CCc1cc2cc(F)c1C[NH2+]CCCCC2,0,GDB ChEMBL
67846,CNC1C(=O)OC(OC(=O)NC(=N)N)C1N,0,GDB ChEMBL
121967,CC(O)(C(O)CCNC=O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
193288,[NH3+]CC(O)C1CN1CCn1cccn1,0,GDB ChEMBL
332685,COC(=O)C1C(N)=[NH+]C(C)C1N,0,GDB ChEMBL
188483,CC1C(O)C(=O)CC1(C)C,1,GDB ChEMBL
350706,C=CC1(C=C)CCOCCC1OC,0,GDB ChEMBL
48702,CC[NH2+]C1CCC2CC(=O)C1N2,0,GDB ChEMBL
339007,CN(C)C1(CO)CCC1(C#N)C#N,0,GDB ChEMBL
37594,COC1=NCC2(CC([NH3+])C(=O)N2)C(=O)N1,0,GDB ChEMBL
161823,N=C1CC(O)C2C(=O)NCC(O)CC(O1)C2[NH3+],0,GDB ChEMBL
254951,CC(O)C([NH3+])C1OC(=O)[C-]1C#N,0,GDB ChEMBL
353973,COc1ccc(NC(=N)C(O)CC#N)cc1C,1,GDB ChEMBL
265297,CS(=O)(=O)NCC(N)C(=[NH2+])NCCO,0,GDB ChEMBL
277557,COc1cc(C)nc2c1NC(=O)C(O)C(N)=N2,0,GDB ChEMBL
391300,CCCC1Cc2[nH]ccc2CC=C1C,0,GDB ChEMBL
97106,CC1CC(C)(C)C2CCCC1(C)C(O)C2O,0,GDB ChEMBL
126356,CCc1[n-]c(=O)c(C#N)c(Br)c1NCC#N,0,GDB ChEMBL
252353,NC(=O)C1CCN1CC1CC=CC[NH2+]1,0,GDB ChEMBL
284379,CC1CC2CC3CNC(=O)C13[NH2+]2,0,GDB ChEMBL
305609,COC1CC(C)C2(CN2C)C1[NH3+],0,GDB ChEMBL
99424,CC1CCCC=CC2C=CC=CC21,0,GDB ChEMBL
305346,C[NH2+]C(C)C(N)C1C(O)C1C(=O)[O-],0,GDB ChEMBL
164705,CC[NH+](C)CC1(OC)C2CCC1(O)C(C)(C)[NH2+]2,0,GDB ChEMBL
299150,CCc1cnc2[nH]cc(CC[NH3+])c2c1,0,GDB ChEMBL
215271,CCC1C=CCC(C)(C)C2CCCC12,0,GDB ChEMBL
343928,[NH2+]=C1NC2CC3OC(=O)C(C3O)C2N1,0,GDB ChEMBL
182869,CC(O)C[NH2+]Cc1cn(C(=N)N(C)C=O)cn1,0,GDB ChEMBL
40034,CC#CCCC(C)C(=O)NC=N,1,GDB ChEMBL
358116,C=C(NC(=O)NC1CC1)C1C[NH2+]C1,0,GDB ChEMBL
324300,NS(=O)(=O)CC(=O)c1c(O)cncc1O,1,GDB ChEMBL
308117,[NH3+]C1CNC2C(=O)NC1C(O)C2O,0,GDB ChEMBL
136093,C=CC1CC(C)CC(C)CC1(C)C,0,GDB ChEMBL
354154,CCCC(CC)(CCC)CCN1CC1C,1,GDB ChEMBL
325723,C=CCC(CCC)CC(=[NH2+])N1CC1,0,GDB ChEMBL
111922,CNc1nc(N)nc(O)n1,1,GDB ChEMBL
95163,CC1OC(=O)C(C)C(=O)O1,1,GDB ChEMBL
79324,C[NH2+]C(Cc1ccon1)C(=O)c1cnn(C)c1,0,GDB ChEMBL
185903,CCNC(C(N)=[NH2+])C(C)C,0,GDB ChEMBL
304602,C#CCCC[NH2+]C(CC)c1sc(C)cc1C,0,GDB ChEMBL
169408,C[NH2+]CC1NC(C)(C)CC1=O,0,GDB ChEMBL
338536,C[NH+]=C(N)OCC(O)C(O)C(N)=O,0,GDB ChEMBL
18318,CCC#CC(=O)CC(C)(O)C[NH2+]CC,0,GDB ChEMBL
261224,C#Cc1ccc2c(c1)CC(C)(C)CC2[NH+](C)C,0,GDB ChEMBL
249588,COC1COC2CCOC12,1,GDB ChEMBL
197028,C#CC1CN(C)CCN1C(=O)NC,1,GDB ChEMBL
393968,CCCOC1CNC1C(N)=[NH2+],0,GDB ChEMBL
221650,CNc1cc(C(CCOC)C(O)C[NH3+])sn1,0,GDB ChEMBL
284718,CC1=CC2C(C)[NH2+]CC2C1O,0,GDB ChEMBL
174067,C#CCCC1[NH+]=C(N)COC(C(F)(F)F)C1O,0,GDB ChEMBL
332378,CCCCOc1cc(N)n(C)c1NC(C)C=O,0,GDB ChEMBL
352622,NC(=O)C(OC(=O)CO)C(=O)[O-],1,GDB ChEMBL
349612,CC(=O)CC1(CC[NH2+]CCCO)COC1,0,GDB ChEMBL
59713,CCCCC=C1CC2=C(CCC2)C1,1,GDB ChEMBL
393913,COCC(OC1C(C)CC1O)C(N)=O,1,GDB ChEMBL
318523,CCC(C)C[NH+](CC)CCOC=O,1,GDB ChEMBL
30372,C1=CC2C3CCCC(C3)[NH+]2C1,0,GDB ChEMBL
281642,C[NH2+]CC1CC(O)C(C(O)C2CO2)O1,0,GDB ChEMBL
98869,CC1=CC2C(C)C(O)C1(C)C2CC(C)C,0,GDB ChEMBL
50943,CCCC1CC([NH3+])C2CC(C)CC(C)(CC)C12,0,GDB ChEMBL
121767,CCC1C([NH3+])C1C[NH+]1C(C)C=CC1C,0,GDB ChEMBL
174803,CC1OC(=O)C(CC([NH3+])CS(=O)(=O)[O-])C1[NH3+],0,GDB ChEMBL
308137,Cc1csc(N(C)C2C3CCC2C3)n1,1,GDB ChEMBL
114802,[NH3+]C1C=CC(NC=O)CC1CO,0,GDB ChEMBL
259701,CC1=CC[NH+](C)CC1CC(F)(F)F,0,GDB ChEMBL
375495,CS(=O)(=O)NC1(C(N)=O)CC([NH3+])CC2OC21,0,GDB ChEMBL
38172,CC1(C(=O)[O-])CC2(C(N)=O)C([NH3+])C2C1O,0,GDB ChEMBL
230474,[NH3+]CC(=O)Nc1ncnc(O)c1I,1,GDB ChEMBL
323145,OC1C2CCC13C[NH2+]C(CO3)C2,0,GDB ChEMBL
244642,CCC1C=CC(O)CCC2CC1CO2,0,GDB ChEMBL
29628,C=CCc1c(Cl)cncc1C(C)O,1,GDB ChEMBL
89150,COC(C#N)CC(=CC#N)C(C)=O,1,GDB ChEMBL
305086,NC(=O)C1NC2C(CC1[NH3+])C2(O)C(=O)[O-],0,GDB ChEMBL
5253,CCCC(=O)n1cc(C[NH3+])ccc1=N,1,GDB ChEMBL
247239,CC1CC2CCC1(C[NH2+]CC(C)(C)O)CC2O,0,GDB ChEMBL
395604,CC[NH2+]C1C(O)C(C[NH3+])C(C[NH3+])C1COC=O,0,GDB ChEMBL
251805,C#CCCCC1([NH3+])CCC(CC)C(=O)NC1C,0,GDB ChEMBL
182932,C[NH+]=C(N)NCC(N)(C[NH2+]CCO)C(=O)[O-],0,GDB ChEMBL
288577,NS(=O)(=O)CC(O)C(=O)NCCCO,1,GDB ChEMBL
3762,OC1CCOCC1Nc1nn[nH]n1,1,GDB ChEMBL
289415,C#CC1CC2CCC[NH+](C)C1CC(C)(C)[NH2+]2,0,GDB ChEMBL
157399,C#CCC(CCC([NH3+])CCO)C(C)CC,0,GDB ChEMBL
337064,N#CCCCC1C[NH2+]C2CC2C[NH2+]1,0,GDB ChEMBL
137109,Cc1onc(C2(C)CCC[NH2+]2)c1[N+](=O)[O-],0,GDB ChEMBL
40940,N#CC(CC(CS(N)(=O)=O)C(N)=O)C1CN1,0,GDB ChEMBL
270100,CC[NH2+]CC1(C(N)=[NH2+])CC(O)CO1,0,GDB ChEMBL
217102,CC[NH2+]C(CO)(CO)CCC(=O)CC(C)C,0,GDB ChEMBL
81724,C#CCCC1=CC(CC)C(C)C1,1,GDB ChEMBL
34923,CC(=O)N1CCC(C2CC[NH2+]2)C(C)C=C1C,0,GDB ChEMBL
70934,C#CC[NH2+]CC1NC1C(=O)C(F)(F)F,0,GDB ChEMBL
13191,CC#Cc1cc(C)c(C#N)s1,1,GDB ChEMBL
227917,N#CC1C2CNC1C(CC(O)C[NH3+])NC(=O)N2,0,GDB ChEMBL
103872,CCOC(C[NH3+])C(C)([NH3+])C(=O)[O-],0,GDB ChEMBL
334129,NC(=O)C1(CCCC([NH3+])CO)CN=CNC1=O,0,GDB ChEMBL
305163,C#Cc1c(O)c(Br)c(OCCCC)c(C)c1Br,1,GDB ChEMBL
77046,Cc1nc(COCCC(C)[NH3+])[nH]c(=N)c1C#N,1,GDB ChEMBL
136062,CC#CCNC(=NC)OC1CC1,1,GDB ChEMBL
40301,CCc1cc(NC)nc(Cl)n1,1,GDB ChEMBL
175845,N#CC1CS(=O)(=O)CN1C(N)=O,1,GDB ChEMBL
109500,COC(C)(C)CCCCCOC=O,1,GDB ChEMBL
382986,COCCC1(C)CC=C(C)C(OC(C)C)C1,0,GDB ChEMBL
51351,CC1(C(N)=O)OC(CC(O)C[NH3+])C(O)C1O,0,GDB ChEMBL
384820,CC(=O)Oc1n[nH]c(=O)c(CC[NH3+])c1N,0,GDB ChEMBL
130359,CC1CC(C)(C([NH3+])CO)C1,0,GDB ChEMBL
386593,C[NH2+]C(C(=O)[O-])C1(C)C2COCC21C[NH3+],0,GDB ChEMBL
230517,CC1CC2(C#N)CCC1(O)C2,1,GDB ChEMBL
290331,CCCC=C1CN(C)C1C=CCO,0,GDB ChEMBL
17657,CCC1OC(=O)C2(C)NC1CC2[NH3+],0,GDB ChEMBL
318042,CCC1([NH3+])CC(N)C(NC(N)=[NH2+])C1OC(N)=O,0,GDB ChEMBL
42603,CC(CCO)C1=CC2(CC2)CC1=O,1,GDB ChEMBL
275469,N#Cc1ncc(Cn2ncnn2)c(C[NH3+])n1,0,GDB ChEMBL
28374,[NH3+]C1CCCN2C3CC(C(=O)[O-])C1C32,0,GDB ChEMBL
78628,CNC(=[NH2+])NCC(N)C(C)OC=O,0,GDB ChEMBL
84954,CCC1(C)CC2C3CCC(CC21)[NH+]3C,0,GDB ChEMBL
149323,CCC(CC#N)C1(C)NC1(CO)C(N)=O,0,GDB ChEMBL
302631,[NH3+]CC12CC(CNC(=O)C([NH3+])C(O)C1)O2,0,GDB ChEMBL
274135,CCC(C)C([NH3+])(CC(C)(C)C)C(C)(C)C(=O)[O-],0,GDB ChEMBL
54791,[NH3+]CC(O)CC1C=CNC(=O)CO1,0,GDB ChEMBL
310332,CC1(COCC[NH3+])C([NH3+])C1O,0,GDB ChEMBL
23949,Cc1c(F)cc2nc1CCCC=CCC2,1,GDB ChEMBL
70163,CCCC(CC)CC1=CCCC1(C)C,1,GDB ChEMBL
39757,CC(=O)C1=CCCCC1(C)C#N,1,GDB ChEMBL
397092,C[NH+]1CC2(O)C3OC(=O)C(N)C1C32,0,GDB ChEMBL
391659,COCCC1C(C)OCCC([NH3+])C1C(N)C[NH3+],0,GDB ChEMBL
277452,C[NH2+]Cc1occc1CC1CC1,0,GDB ChEMBL
18833,Cc1ncc2c(n1)C1CC(CNC2=[NH2+])C(C)O1,0,GDB ChEMBL
305492,CC1=CCC2C3CCCC(CCC12)C3,0,GDB ChEMBL
354969,C[NH2+]C1CC(C)(O)C2(C(N)=O)OC12,0,GDB ChEMBL
200613,COCC([NH3+])C(O)CC(O)(C(N)=O)C(=O)[O-],0,GDB ChEMBL
249488,CC(C)CNC(=O)NC=O,1,GDB ChEMBL
334069,CC1C=C(C(C)[NH+](C)C)CC1,0,GDB ChEMBL
265282,CCCC(C(C)[NH3+])C1(C)C[NH2+]CCOC1OC,0,GDB ChEMBL
184942,CCC[NH2+]CCCCO,1,GDB ChEMBL
210695,C#CCC1(OC(C)=O)CC=CC1,1,GDB ChEMBL
334109,C[NH+]1CC2CC23C([NH3+])CC(C)(O)CC(O)C13,0,GDB ChEMBL
62596,CS(=O)(=O)NC1CS(=O)(=O)CC1CO,1,GDB ChEMBL
2088,C[NH2+]C(C)C1(O)CC(C)C1COC,0,GDB ChEMBL
209482,[NH3+]C1C2CC[NH2+]CCC1C2,0,GDB ChEMBL
221718,C#CC(CC)C(C)(CC)C(C)CCC,0,GDB ChEMBL
198666,N#CCC(N)CC([NH3+])CC1CC1CO,0,GDB ChEMBL
1965,C=CC1C[NH2+]CCC(C)OCC1=C,0,GDB ChEMBL
78322,CC1=CC2(CCCO2)C(O)C1,1,GDB ChEMBL
153236,NC(=O)C(N)C1C(=O)NC(=O)CC(O)C1[NH3+],0,GDB ChEMBL
289405,CC1CN(CC#N)C(C2CC2)CO1,1,GDB ChEMBL
33238,C[NH2+]C1CC2CCC=C(C)C(O2)C1C,0,GDB ChEMBL
115715,CC(CS(=O)(=O)[O-])C1CCCC1[NH3+],0,GDB ChEMBL
173910,CC1=CC(C)C(C)CC(C(C)C)CC1,0,GDB ChEMBL
271087,COCC1CC2CC2CC1[NH3+],1,GDB ChEMBL
115579,CCC(C)CC1C2C(N)=[NH+]C1(C)CN2C,0,GDB ChEMBL
296056,CC1CC2(C)CC(C)(O)CCCC1C[NH+]2C,0,GDB ChEMBL
248247,N#CCC1CC(O)C(C=O)NS1(=O)=O,0,GDB ChEMBL
190000,CC(C)(C)OC1C2CCCC1CC1(CO1)C2,1,GDB ChEMBL
231149,CC#Cc1cc(Br)ccc1N,1,GDB ChEMBL
265552,CCCC#CC1CC(CC)CC1C,1,GDB ChEMBL
140871,COC1CN=COC(C(=O)[O-])C1O,0,GDB ChEMBL
311618,CC1=CC2CC(C)(C)C(CCC1)C2C,0,GDB ChEMBL
260129,CC=CCC1C(O)C[NH2+]CC2CC21,0,GDB ChEMBL
129838,Cc1cc(F)cc2c1C1C=C(C#N)C2C1,1,GDB ChEMBL
115048,COCC1=NC(C(C)(O)C(N)=O)C(OC)CN1,0,GDB ChEMBL
190095,COC(CO)C1(C([NH3+])C(C)O)CC(O)C(C)O1,0,GDB ChEMBL
194510,CCC1CC2CC(C)(C1)CC2CC(C)O,0,GDB ChEMBL
126650,[NH3+]CC1(NC(=O)CCC(O)CO)CC1O,0,GDB ChEMBL
336632,CCCOCC(N)c1nn[n-]n1,0,GDB ChEMBL
263973,CCC1C=C(C)C=CCCC1,1,GDB ChEMBL
362602,CCNc1ncc(C[NH2+]CCO)c(C=O)c1Br,0,GDB ChEMBL
71667,CC1NC(=O)NC(=O)CNC1=[NH2+],0,GDB ChEMBL
203595,CC([NH3+])C1C(C(=O)[O-])C1(N)C(N)=O,0,GDB ChEMBL
128308,CC12CCOC1C=CCCC1CC12,0,GDB ChEMBL
47531,CCC1CC2CC(C)(O)C1O2,1,GDB ChEMBL
296082,C#CC1CC2(C1)CC(CC(C)[NH3+])C[NH+](C)C2,0,GDB ChEMBL
48503,CC1N(C)C2CC3[NH2+]C(C2)C31CO,0,GDB ChEMBL
66740,CCCNc1ncn(C2C(C)C2C)n1,1,GDB ChEMBL
61655,NC(=[NH2+])C1=CCCC2CC(CC[NH2+]2)C(=O)N1,0,GDB ChEMBL
17045,C#CC(C#C)CCC1CC(C)C(C)C[NH+]1CC,0,GDB ChEMBL
210974,C#CC12CCC(NC(C)=O)C1C2,1,GDB ChEMBL
118427,CNC(=O)CCn1c(N)nc(=O)c(N)cc1=[NH2+],0,GDB ChEMBL
6124,O=C1OC2C(=O)CC1C(O)C2O,1,GDB ChEMBL
385632,CC(O)C1CC2C(O)CC2C(=O)N1,0,GDB ChEMBL
109151,C#CC1CC(C(C)O)CC1(CO)OCCCC,0,GDB ChEMBL
133997,C#CCOC(=[NH2+])N(CCO)CCS(=O)(=O)[O-],1,GDB ChEMBL
231161,CCCN(C(COC)=NC)S(=O)(=O)CCO,1,GDB ChEMBL
274104,[NH3+]C1CC2=CCc3ccc(Br)cc3C2C1,0,GDB ChEMBL
149372,CCCc1c(N)ccn1CCCc1cc[nH]c1,1,GDB ChEMBL
319173,CNC(=O)CC(=[NH2+])NCC(O)C1COC1,0,GDB ChEMBL
191503,CCC(O)CCC1CC(C=O)(C=NO)C[NH2+]1,0,GDB ChEMBL
167345,C#CCOC(=O)NCC(=O)NC(N)=O,1,GDB ChEMBL
87644,N=CN(Cc1ccncn1)c1cc(N)cc[nH+]1,0,GDB ChEMBL
265489,NC(=[NH2+])C1COC2CC(O)CN1C2,0,GDB ChEMBL
153720,CN1C(C(N)=[NH2+])CC(O)C2OCOC2C1C#N,0,GDB ChEMBL
338619,CCN(CC)C1C(N)C1([NH2+]C)C1CC1,0,GDB ChEMBL
275527,C[NH2+]C1CCC(N)(C#N)C1O,0,GDB ChEMBL
17666,CCCC(=NO)C(C)(C=CCO)OC,1,GDB ChEMBL
216608,O=C1NC2CC[NH+]3CC(C3)C2O1,0,GDB ChEMBL
84596,CCC1(C)CC(C)[NH2+]CC2CC21CCO,0,GDB ChEMBL
126601,CC(C)CN(c1cn(C)nn1)C1COC1,1,GDB ChEMBL
312198,CC1C=C2CCCCC2C(C)CC1C,0,GDB ChEMBL
184256,CC(C)C[NH+]1C2CC3(CC2C)CC13,0,GDB ChEMBL
289436,COCC(O)C(O)C(CO)CC(=O)[O-],0,GDB ChEMBL
354145,NC(=O)CCC1(C[NH3+])CC1O,0,GDB ChEMBL
375556,C#CC1C2CCC(O)C2C(C)(C)CCC[NH+]1C,0,GDB ChEMBL
31379,CC1COC(=O)C2CN=C(N1)S(=O)(=O)[N-]2,0,GDB ChEMBL
265509,CNS(=O)(=O)C1C(CO)C1C(=O)[O-],0,GDB ChEMBL
203835,COC(=O)c1ccnc(=O)c2c1CC1NC21,0,GDB ChEMBL
374928,NC(=O)CC(=O)C1C[NH2+]CC1CS(N)(=O)=O,0,GDB ChEMBL
338267,CCCCC1C=C2C=CC(C2)CC(C)C1,0,GDB ChEMBL
156544,CC=CC(=N)NC(=O)C(C)[NH2+]CC,1,GDB ChEMBL
124227,N#Cc1cc(C(=O)[O-])c(O)c(=N)nc1[O-],0,GDB ChEMBL
171337,COCC([NH3+])C(CCC[NH3+])C1CO1,0,GDB ChEMBL
23941,NC(=O)NCc1cc(=O)o[cH-]1,0,GDB ChEMBL
58965,CCC1CC2CC(CC(C)C)CC(C)(C1)C2,0,GDB ChEMBL
127636,N#CCNC1=NCCCO1,1,GDB ChEMBL
310811,CC1C2C3CC([NH3+])C[NH+](C2C)C1C3,0,GDB ChEMBL
173878,NS(=O)(=O)C1NC(=O)COCC1CCO,0,GDB ChEMBL
62535,COC1C(C)[NH2+]C2C1C2(O)C[NH3+],0,GDB ChEMBL
365765,CC(C)NC(=[NH2+])C(N)(CO)C(=O)OCC#N,0,GDB ChEMBL
155810,Cc1ccn(C(C)C#CCC(C)C)c1,1,GDB ChEMBL
133360,Nc1c(F)c(O)c2c(c1NCC[NH3+])OCO2,0,GDB ChEMBL
398942,CC[NH2+]Cc1nc(N)c(CC#N)cc1F,0,GDB ChEMBL
195394,O=C1CC2CC(O)C(C2)O1,1,GDB ChEMBL
395933,CC(C)C1C[NH+](C)C2CCC[NH2+]CC2(C)CO1,0,GDB ChEMBL
223566,CCC([NH3+])(CC(C)C)C1=NCCC(O)C(=O)O1,0,GDB ChEMBL
64104,CCCC1(CC(C)C)CC2CCC(C1)C2CC,0,GDB ChEMBL
33213,CCC1CCCC(C(C)[NH3+])C(=O)N(C)CCC1,0,GDB ChEMBL
95549,C=CC(C)(CC)C(CO)CNC=O,1,GDB ChEMBL
181002,CC[NH2+]C(C)C#Cc1cncc(Cl)c1Cl,0,GDB ChEMBL
173136,C[NH2+]C(C(C=O)C(C)O)C1CCc2cncn21,0,GDB ChEMBL
249876,N#CC12C(O)CC(=O)C1C2CC(O)CO,0,GDB ChEMBL
305462,CC1(C)C2CC(C[NH3+])CC1(C(F)(F)F)CO2,0,GDB ChEMBL
81076,CCCC12CC(CC1C)OCC[NH2+]2,0,GDB ChEMBL
363223,CC(C)CC1CC(=O)CC2CC12,1,GDB ChEMBL
5839,C#CC(C=C)C(C)c1ccncc1,1,GDB ChEMBL
119877,COC1C([NH3+])C1(O)CC1CC(CO)C[NH2+]1,0,GDB ChEMBL
334088,CCC1C(=O)NC=C1C(O)C[NH3+],0,GDB ChEMBL
235229,C[NH2+]C1CNC2C(C1)C(=NO)C(C(N)=[NH2+])C2O,0,GDB ChEMBL
181566,[NH2+]=C(CO)NCC(=O)OCCO,0,GDB ChEMBL
61962,COCC(N)(C[NH3+])CNC=O,0,GDB ChEMBL
182083,CC1CCCCC1C1CC(C)C(C)(C)CC1=O,1,GDB ChEMBL
27792,C#CC1C(C)=CCC2(C)CCCC(=O)C12,0,GDB ChEMBL
34187,COc1c(C)cncc(CO)occ1C(N)=O,0,GDB ChEMBL
271349,C#CCC(CC)(CNC(N)=O)C(N)C[NH3+],0,GDB ChEMBL
137379,COC(=O)C(CO)(CC(=O)[O-])C([NH3+])C(=O)[O-],0,GDB ChEMBL
11709,C[NH2+]CC1(CO)OC2CC1NC2=O,0,GDB ChEMBL
93075,C#CC1CC(O)C[NH2+]1,0,GDB ChEMBL
34770,C#CC(CN(C)C1CC(O)CC1O)[NH2+]C,0,GDB ChEMBL
44682,CCC(CO)C(CC)(CN1CC1)C(=O)[O-],0,GDB ChEMBL
382536,NS(=O)(=O)CC1C(=O)NCC2C(O)CN12,0,GDB ChEMBL
347932,CC1[NH2+]C2(C(N)C(N)=O)C=CC(C2)C1O,0,GDB ChEMBL
140396,C#Cc1cc(N(C)C(C)(C)CCCO)sc1C,1,GDB ChEMBL
157498,CC(O)C([NH3+])C1C=CC(O)C1C#N,0,GDB ChEMBL
385437,O=C1CC2OC2(C(=O)[O-])CO1,0,GDB ChEMBL
257489,CC1(O)CC2[NH+]=C(N)C1C2NC(N)=[NH2+],0,GDB ChEMBL
95156,CCC(C)(O)C1CCC2C(C)CC[NH2+]C21,0,GDB ChEMBL
384302,C#CCC1C=CC([NH2+]CC)CC1,0,GDB ChEMBL
385491,CCC(C)(C[NH3+])C1(C)CCCCC1O,0,GDB ChEMBL
130651,C[NH2+]CCOC(C(=N)OC(N)=O)C(=O)[O-],0,GDB ChEMBL
298215,CC(C)C1C(C)OC(CO)C1CC[NH3+],0,GDB ChEMBL
8702,CCC#Cc1cnc2nccn2c1,1,GDB ChEMBL
311301,CN1C2CCOCC[NH2+]CC21C,0,GDB ChEMBL
236573,NC(=[NH2+])C(CCCO)COC1C[NH2+]C1,0,GDB ChEMBL
39918,CC12C=CC3C([NH2+]C1CCC[NH3+])C32,0,GDB ChEMBL
171898,CCCCC1CCC(CC(C)C)CC2CC12,1,GDB ChEMBL
276158,N#Cc1cn(C2COC2)c(=O)c(F)n1,1,GDB ChEMBL
263993,N#CC12CC(=O)OC(C[NH2+]CCC1N)C2,0,GDB ChEMBL
50292,CCCC1COC(CC)C(C)C1,1,GDB ChEMBL
257554,CC1CCC([NH3+])COCO1,0,GDB ChEMBL
108724,CCC(C)OCC(C)[NH+](C)C(C)(C)C,1,GDB ChEMBL
378307,C[NH2+]CC1C2COC1C(O)C(S(N)(=O)=O)O2,0,GDB ChEMBL
290111,CC1C=C2CCc3c(cnn3C)C2C1,0,GDB ChEMBL
372780,CC(C(=O)NC(N)=O)C(=NO)C(=O)[O-],0,GDB ChEMBL
143772,C#CC1=CCC(C)C1(C)CC1CC1,0,GDB ChEMBL
147543,CC(=O)OC1(CC#N)C(N)=NCC1O,0,GDB ChEMBL
259462,CCC1CCC(C)CCC1(CC)C(F)(F)F,0,GDB ChEMBL
29971,CCCCCC(C(C)O)C1OCC1=O,0,GDB ChEMBL
281966,[NH3+]C1C2CC1(O)C(CCO)C(C(=O)[O-])N2,0,GDB ChEMBL
5876,CC1=CCCCC(=O)CC2(C)COCC12,0,GDB ChEMBL
50238,CC(=O)C1C(C(N)=O)N1C(C)=O,0,GDB ChEMBL
155082,N#CC1CNC(=O)CC(C#N)(C[NH3+])[N-]C(=O)N1,0,GDB ChEMBL
302636,CCOC1CC2CC2C[NH2+]C1CC,0,GDB ChEMBL
204615,COCCN1CC(O)C1C(O)c1cc[nH]c1,0,GDB ChEMBL
378553,CC1NC(=O)C(OS(N)(=O)=O)C(C)NC1=O,1,GDB ChEMBL
287027,C[NH2+]C1c2cc(C)cc(N)c2NC1(C)C(C)O,0,GDB ChEMBL
59241,CCCCC(C#CCC1CC1)CC[NH3+],0,GDB ChEMBL
395147,CC(C)[NH2+]CC(C[NH3+])(CC1CC1C)C(N)=O,0,GDB ChEMBL
53678,CCC(CS(N)(=O)=O)C1NC(=O)CC1[NH+](C)C,0,GDB ChEMBL
29265,CC(N)=[NH+]c1cc(CCC(C)C)cc(Cl)c1C,0,GDB ChEMBL
234436,C#CCC1C(C[NH2+]C)C(CCC)C1(C)O,0,GDB ChEMBL
137444,CC1CCS(=O)(=O)C1C1NC(=O)C2CC21,0,GDB ChEMBL
185964,COCC1C[NH2+]C(C)C1CC(N)C#N,0,GDB ChEMBL
227278,CC[NH+]=C(N)OC(C)(C)C,0,GDB ChEMBL
318805,CCOC12CNC(=O)COC1C(O)CO2,1,GDB ChEMBL
148194,C#CCC(C)CCOCCCC(C)[NH2+]C,0,GDB ChEMBL
267375,COc1c(I)c(C(N)=[NH2+])c(C)c(C)c1CC#N,0,GDB ChEMBL
112471,CC=C(C)C(C)CCCC(F)(F)F,1,GDB ChEMBL
307875,CC1CC(C2NC2C(=O)[O-])CCN1C(N)=[NH2+],0,GDB ChEMBL
118415,CCC12CC(C[NH2+]C1C)CC(C)C2(C)O,0,GDB ChEMBL
53700,NC(=[NH2+])NC1(CO)C2OC2C([NH3+])C1C(N)=O,0,GDB ChEMBL
234207,COC(=O)CCC12C=CCC1N2,0,GDB ChEMBL
124220,Cc1nc(C(N)=O)c2c(c1Br)CCC2C(C)C,0,GDB ChEMBL
348448,CC1CC(O)(C(O)C[NH2+]C(C)C)C1,0,GDB ChEMBL
358451,O=C1NC(=O)C2C3[NH2+]CC(C3O)C2O1,0,GDB ChEMBL
277856,CC(=O)OC1C2OC(CO)C(O)C1S2(=O)=O,0,GDB ChEMBL
289290,COC(=O)NC(C)C1(C(C)C)CC1,1,GDB ChEMBL
325288,CNC(=O)OCC1OCC(CO)C1=O,0,GDB ChEMBL
379857,CCC1CC2C(C)[NH2+]C2c2ccc(Br)cc21,0,GDB ChEMBL
42224,N#CC(OS(N)(=O)=O)C(O)C(O)C[NH3+],0,GDB ChEMBL
292725,C#CCCC1(O)CCCC(C)C1,1,GDB ChEMBL
110227,C#CC1COC(=O)NCc2noc(C#N)c2N1,1,GDB ChEMBL
259380,CC1c2cc(Cl)cnc2OCC12CCO2,0,GDB ChEMBL
383968,CC1OC2COC(CO2)C1C(CC#N)C(=O)[O-],0,GDB ChEMBL
349972,CC1(C)CC2(C(=O)[O-])OC1CCC2O,0,GDB ChEMBL
392251,CCC1C2CCC1C1C2[NH+]1CC,0,GDB ChEMBL
193778,CNc1cc(C(N)=[NH2+])c([O-])c(C)scnc1N,0,GDB ChEMBL
176495,CC(C)Oc1cc([NH+]=C(N)C(C)N)ccn1,0,GDB ChEMBL
109517,C[NH2+]Cc1c(F)ccc(CC#N)c1F,0,GDB ChEMBL
316131,O=C([O-])CC1C2C3OC2C2C3N12,0,GDB ChEMBL
300926,CCC1CCCCCCC(C)(C(C=O)CC)C1,0,GDB ChEMBL
263306,COC1(C)C2COC(CC(C)[NH2+]CCO2)C1O,0,GDB ChEMBL
322005,CCCCCCC1C2(C)CCC1(C)C(CC)C2,0,GDB ChEMBL
136145,CCCc1ccccc1CCC(C)(CC)CC,1,GDB ChEMBL
349524,CC1=CCCC2CC(C)C(C)C2C1,0,GDB ChEMBL
211128,COCC1C(C(C)O)C(O)C2(C)CN1CCO2,0,GDB ChEMBL
366556,C1C[NH+]2CC[NH2+]CCC3CC32C1,0,GDB ChEMBL
201394,NC(=O)C(O)C1(N)CC(C(=O)[O-])C(CO)C1[NH3+],0,GDB ChEMBL
205935,CC1(O)CC(O)(CCCCn2cccc2)C1,1,GDB ChEMBL
385477,CC1CC2CC1C21COCCCC1=O,0,GDB ChEMBL
77498,CC1C2COCC1N(C(N)=O)C2,1,GDB ChEMBL
307532,[NH3+]CCC1NC(=O)C2CC12,0,GDB ChEMBL
109711,[NH-]S(=O)(=O)c1sccc1[N+](=O)[O-],0,GDB ChEMBL
94859,O=C1CCc2[nH]nc(CC(O)C[NH2+]CCO)c21,0,GDB ChEMBL
311355,CNc1c(O)cnc(C(=O)OC)c1NC(C)=O,0,GDB ChEMBL
334654,COCCCC(CO)C(C)C,1,GDB ChEMBL
9786,[NH3+]Cc1cccc(C#CC2CCC2)c1Cl,1,GDB ChEMBL
44991,C[NH2+]Cc1ncc(Cl)nc1CC(C)[NH3+],0,GDB ChEMBL
77358,CC(O)CC(NC=O)C1NC(=O)C([NH3+])C1O,0,GDB ChEMBL
220205,CCCC1(O)CC(=O)N(C=O)C1COC,1,GDB ChEMBL
332420,CCC1(CC(C)C#N)CCC1,1,GDB ChEMBL
174287,[NH2+]=C1COC(CC(=O)[O-])=NCC(CC[NH3+])N1,0,GDB ChEMBL
107019,CCC1(C)C(C(C)C)CCC2CC(C)C(O)C21,0,GDB ChEMBL
136671,C=CC12COC(=O)CNC1C(C)C2,0,GDB ChEMBL
355422,COCC1(O)CCCC1O,1,GDB ChEMBL
13822,COC(=O)C1(O)C=CN(C(N)=[NH2+])C1,0,GDB ChEMBL
190784,CS(=O)(=O)NC1C(=O)NC(=N)CC1O,0,GDB ChEMBL
106604,C#CCC(c1ccno1)[NH+]1CC(C)C(C)C1,0,GDB ChEMBL
288674,CCC1OC(C(O)C([NH3+])C(C)C)CC1O,0,GDB ChEMBL
81565,N#CC1CNC(C(=O)[O-])C([NH3+])C1O,1,GDB ChEMBL
114798,[NH3+]CC12OC(=O)NC1C(O)CC2[NH3+],0,GDB ChEMBL
27027,N#CC1(C2OC(=O)NC(=O)C2C(=O)[O-])CO1,0,GDB ChEMBL
185298,C[NH2+]CCC1=CCOC(C2CC2)C=CC1[NH3+],0,GDB ChEMBL
330386,CCCCC1(C)CCC2CC(C(C)CC)C1C2,0,GDB ChEMBL
392476,CC1=CCC(C(N)=[NH2+])C(C)(C)C1CO,0,GDB ChEMBL
381491,COC1CC=CC(O)C2CN2C1CO,0,GDB ChEMBL
94882,CC(C(N)=[NH+]CC(F)(F)F)N1CCN(C)C1=O,0,GDB ChEMBL
85003,CCCS(=O)(=O)NCC(=O)C(=O)CC,1,GDB ChEMBL
40329,CC1=CCC2CCCCCC1C1CC1C[NH2+]2,0,GDB ChEMBL
155046,[NH3+]C1CCCCc2ccc(F)cc2C1,0,GDB ChEMBL
16500,[NH3+]C1(C(NC=O)C(=O)[O-])CCOC1,0,GDB ChEMBL
43580,CCCC(C[NH3+])COc1ccc(CCO)cn1,0,GDB ChEMBL
315203,CC1CC(C)C2C(NS2(=O)=O)C(=O)N1,0,GDB ChEMBL
280021,CNC(=O)C#CCCOC(=N)CC(=O)[O-],1,GDB ChEMBL
294806,COC(CO)(CCO)CNC(=N)NC=O,1,GDB ChEMBL
270036,COC(=[NH2+])NC(CNC(N)=O)C(N)C#N,0,GDB ChEMBL
96093,C[NH2+]C1C2CNC1(C(N)=O)C(C(O)CC[NH3+])C2,0,GDB ChEMBL
281981,NC1=[NH+]CCNC(=[NH2+])NCC1,0,GDB ChEMBL
26932,C#CCC(C#N)C=C(C)CCC=O,0,GDB ChEMBL
250568,NS(=O)(=O)CCC(C[NH3+])C(O)CO,0,GDB ChEMBL
302302,CC1C2CCC1C(C1(C(=O)[O-])CCC1)[NH2+]C2,0,GDB ChEMBL
375717,O=C1NCC23CS(=O)(=O)NCC2[NH2+]CCC13,0,GDB ChEMBL
288716,CCC1(C#N)C(OC)C1(N)CO,0,GDB ChEMBL
129560,CCC(O)C1CCC(C)C1,1,GDB ChEMBL
133320,Nc1nc2c(c(=O)o1)COC(=O)N2,0,GDB ChEMBL
274202,NC(=[NH2+])CC(=O)C(O)C[NH+]1CCC(CCO)C1,0,GDB ChEMBL
318349,C#CCC1C2CC(=NO)CN1CC(O)C[NH2+]2,0,GDB ChEMBL
319211,COc1c(Br)nc(C)c2c1C(C)C=CCC2,0,GDB ChEMBL
12779,CC1COc2ccc(Cl)c(N)c2O1,1,GDB ChEMBL
136684,C#Cc1c(C2(C)CCC2)ccc(C)c1N,1,GDB ChEMBL
339214,CNC1=[NH+]C(C)C(OC)C1C#N,0,GDB ChEMBL
215833,CC1C2CC3CC3C2C2C[NH+](CCO2)C1C,0,GDB ChEMBL
305855,C#CCC(CCCC)C1=CCCC1(C)C,0,GDB ChEMBL
217399,C#CCCCC(C[NH2+]C)OC1(C)CC1,0,GDB ChEMBL
17542,CC1=CC(=O)C(C)=C(C)NCC1,0,GDB ChEMBL
312245,CCCC1CCCC1=CCC(C)C,1,GDB ChEMBL
64630,COC(CO)CCC1NC1CC(N)=[NH2+],0,GDB ChEMBL
38726,CC1CNC(=O)OCC(=O)C(=O)O1,1,GDB ChEMBL
23473,COCC1NC1(C)C[NH2+]C(C)CO,0,GDB ChEMBL
261358,CC1CCC2CCC(C)(C)C1C2=O,1,GDB ChEMBL
380231,C#CC1C=CC(O)(C[NH2+]C)C1(CC)C(=O)[O-],0,GDB ChEMBL
150537,COC(=O)C1(C[NH3+])CC2C3CC=C1C32,0,GDB ChEMBL
188066,N#CC1[N-]C(=O)C(O)C1=NO,0,GDB ChEMBL
37618,Nc1cc(Cl)c(CO)c(C[NH3+])n1,0,GDB ChEMBL
142364,NC1CNC(=[NH2+])NC=CNC1=O,0,GDB ChEMBL
159884,C#CC(C)Cc1cc(CCC)c(F)cc1CC,1,GDB ChEMBL
251825,N#CCS(=O)(=O)C1C2CC(O)C(C(N)=O)N21,0,GDB ChEMBL
203466,[NH3+]C1CC[NH2+]CC1C1C(=O)NC2CC21,0,GDB ChEMBL
237973,CC(C)CC(=O)C(=N[O-])C(CO)[NH+]=C(N)N,0,GDB ChEMBL
204420,CCCC1C2CCCC(C)C2CCCC1(C)C,0,GDB ChEMBL
323998,C#CC(O)C(CO)C1(C(=O)OC)CCCC1O,0,GDB ChEMBL
317936,CCN(C)C(=O)C1Oc2[nH]ncc2C1=N[O-],0,GDB ChEMBL
157479,CC1NC2C(CNC1=O)C1CCCC2C1(C)[NH3+],0,GDB ChEMBL
180986,NC(=O)C([NH3+])C12CCC(O)(C1)C2,0,GDB ChEMBL
120857,CC(=O)c1nc(C(=O)N2CC2)sc1C,1,GDB ChEMBL
332399,CCC1Oc2n[nH]cc2C(COC)C1C(C)C,0,GDB ChEMBL
266229,N=C1N(C=O)CC(=O)N1CCO,1,GDB ChEMBL
324318,CCCCC12CC1(C)C1(O)CCC2C1,0,GDB ChEMBL
186558,NC(=[NH2+])NCC(=N[O-])c1cncs1,0,GDB ChEMBL
190812,CC#CCc1ccc(O)c(NC)c1F,1,GDB ChEMBL
263858,CCCC1CC(C)[NH+]2C1C2(C)C,0,GDB ChEMBL
227733,CCC(c1c(C(C)C)ccc(F)c1F)C(C)C,1,GDB ChEMBL
161984,COc1cc(C)c(C(C)OC(C)C)c(Cl)c1Cl,1,GDB ChEMBL
259473,COC(=O)C1(O)C(N)C([NH3+])C1(O)C(=O)[O-],0,GDB ChEMBL
40233,CCC[NH+]1CCCC2CC(C)C21,0,GDB ChEMBL
184645,Cc1ncnc(C#CC[NH3+])c1Cl,0,GDB ChEMBL
321834,CCC(C[NH3+])C1CCOC2CCC1O2,0,GDB ChEMBL
381459,CCNc1cscc1CC#N,1,GDB ChEMBL
35450,CN1CC23NC2CC1COC3=O,0,GDB ChEMBL
109762,CC1CN2C(=O)C([NH3+])C(C)C2=N1,0,GDB ChEMBL
280784,CN(C(=N)N)C(=O)OC(C[NH+](C)C)C(C)(C)C,0,GDB ChEMBL
337104,CS(=O)(=O)N1C=NCCOCC1=O,1,GDB ChEMBL
34325,CCCC(O)C1COCC(C)(C=O)C1C,0,GDB ChEMBL
353961,C[NH+](C)CC1(C)CC[NH+](C)CCCN1C(N)=O,0,GDB ChEMBL
42562,CCOCCC1([NH3+])CN(C)C(=O)C(=O)N(C)C1,0,GDB ChEMBL
234380,Cc1[nH+]c(CN(C)C(=O)C(O)CCO)[nH]c1N,0,GDB ChEMBL
269213,CCC(C)(C[NH3+])N(C)C(N)=O,0,GDB ChEMBL
281947,CC(C)[NH2+]CC(N)=CC(=O)C(N)=O,0,GDB ChEMBL
91216,CC(O)C(N)C1C(N)=[NH+]CC1O,0,GDB ChEMBL
309823,CCC1(C[NH3+])CCC(C#N)N1,0,GDB ChEMBL
331763,COCC(O)CC(=O)C(C=O)C(N)=[NH2+],0,GDB ChEMBL
50059,CC1=C2CC[NH+](CC2)C(C)CC(C)(O)C1,0,GDB ChEMBL
93721,CNC(N)=[NH+]CCC([NH3+])Cc1nccs1,0,GDB ChEMBL
396140,CCC1([NH3+])CC2NC1C(N)C[NH+](C)C2CCO,0,GDB ChEMBL
217168,NC1C(=O)NCC2(CO)C([NH3+])C12,0,GDB ChEMBL
1072,CCNC(=O)OC1(C)CC[NH2+]C1,0,GDB ChEMBL
255989,C#CC1CC(CC)CCCC(C(C)(C)C)CO1,0,GDB ChEMBL
290161,COC1C(O)C(C)C2NC(=[NH2+])N(C)C21,0,GDB ChEMBL
216590,C#CC(=O)OC(C)COCC(O)COC,1,GDB ChEMBL
97196,CCC1=CCOC(C)(C)C[NH+](C2CC2)C1,0,GDB ChEMBL
94661,CC(CC[NH3+])C1CC(C)(O)C(=[NH2+])N1,0,GDB ChEMBL
292555,NC(=O)C1NC2CS(=O)(=O)C1C1CCOC21,0,GDB ChEMBL
295861,CCC(CC)Cc1ccc(C)cc1Br,1,GDB ChEMBL
320262,CCC12CCCC(CC(O)C(C)(CC)C1)C2,0,GDB ChEMBL
309168,CC(O)CCC1[NH2+]CC2CC21,0,GDB ChEMBL
23476,CC1=CC=C(C)CC2(COC2)C1,0,GDB ChEMBL
200583,CC1CC(CO)CC2CC(C#N)CCCC[NH+]12,0,GDB ChEMBL
48213,CC1C(O)C(O)CN(C)C1C([NH3+])CNC(N)=O,0,GDB ChEMBL
204498,CC1CC=C2CC3C([NH3+])CCCC3C21,0,GDB ChEMBL
239350,CN(C(=O)CO)C1C2NC(=O)CC21CO,0,GDB ChEMBL
380319,CCCC1=CC(=O)CCCCN1C=O,1,GDB ChEMBL
337052,CN1C(N)=[NH+]CC(C(=O)[O-])C2(O)C(O)CCC12,0,GDB ChEMBL
338950,CC[NH2+]C1CCC(CO)OC2(CC2)C1,0,GDB ChEMBL
280827,CC(C)CC1(C(O)C2C(=[NH2+])NCC2N)CC1,0,GDB ChEMBL
234274,CCC1(CC)CC=C(C)CCCC(=O)C1,0,GDB ChEMBL
385960,Cc1cc(I)c(C(=O)[O-])c2[nH+]ccc(N)c12,1,GDB ChEMBL
314966,CNC1=[NH+]C(CO)CC(C)NC(=[NH2+])N1C,0,GDB ChEMBL
85798,CCC1=CC(=O)OCC(=O)NC1=NC,0,GDB ChEMBL
308671,CC(COC(C)C)CC1(C#CCO)CC[NH2+]1,0,GDB ChEMBL
115564,CCCC#CCC1CCC2(CC1)CC2,1,GDB ChEMBL
325704,C#CCc1cc(F)cc2c1c(C)cn2C,1,GDB ChEMBL
283992,C[NH+]=C(N)Cc1c(Cl)cccc1C(C)(C)C#N,0,GDB ChEMBL
354789,CC(C)OC1(C(F)(F)F)C[NH2+]C(C)(C(C)C)C1,0,GDB ChEMBL
147885,COC(=O)NC1=NCC=C(CO)CN1,0,GDB ChEMBL
296627,O=C(N1CC(O)C1)n1ccnn1,1,GDB ChEMBL
225040,Nc1nc(CO)nc(N)c1N,1,GDB ChEMBL
191663,CCCC1(CC(C)CC)CC12CCCC2,0,GDB ChEMBL
195272,CC#CC=CC1CCCCC(C)C1,1,GDB ChEMBL
398809,OC1CC2CC[NH+]2C1C1CC1,0,GDB ChEMBL
216184,CCC(C)COC(C)CC(O)C1CC1,1,GDB ChEMBL
101917,[NH3+]CC1CC([NH3+])C2CCC(CN1)C2,0,GDB ChEMBL
60654,CC12CC1[NH2+]CCCCC[NH2+]2,0,GDB ChEMBL
130389,CC1C(=O)NCC2C(CS(=O)(=O)[O-])N12,0,GDB ChEMBL
361664,C[NH+]1CCC(C(C)(C)O)C(C(=O)C=O)C1,0,GDB ChEMBL
12817,COCC1(CC[NH3+])[NH+]=CNC1C([NH3+])CO,0,GDB ChEMBL
321807,CC1(O)C=CCCCNc2ccnn2C1,1,GDB ChEMBL
274122,CCCC(C)N1CCNC(=[NH2+])NC=CC1=O,0,GDB ChEMBL
285108,CC12OC1C(O)CC1[NH2+]C(CN)CC12,0,GDB ChEMBL
366500,COC(C)(CO)CC(=O)N(C)C=NCCO,0,GDB ChEMBL
87635,CS(=O)(=O)CC1OC2C[NH+]=CNC(CO)C1C2,0,GDB ChEMBL
70949,CC(=NO)C1=CCNC(=O)CC(O)CC1,0,GDB ChEMBL
334410,C[NH+]=C1NC2COCC(=O)NC(=O)C(N1)C2O,0,GDB ChEMBL
363005,C#CCC(=NCC[NH3+])NC(=O)NC,0,GDB ChEMBL
75059,CCC(=[NH2+])NCC(NC(=O)NC=O)C(=O)[O-],0,GDB ChEMBL
5862,O=C1CCC2C(=O)NC=CC12,0,GDB ChEMBL
366786,CCC(C)(C)CC1CCCC(C)C2CC12,0,GDB ChEMBL
23546,CC=CC1(CC([NH2+]C)C(C)O)CO1,0,GDB ChEMBL
171288,CC1(C(=O)[O-])OC2C(=O)NC1C2[NH3+],0,GDB ChEMBL
230711,Nc1ncnc(C=O)c1N,1,GDB ChEMBL
198824,COC1(CC(C)C)COC1(C[NH3+])CO,0,GDB ChEMBL
34394,C#CC1[NH2+]CCC(C2=CCCC2)C1CCC,0,GDB ChEMBL
361597,CC1[NH2+]CCOCC2CCC=C2C1O,0,GDB ChEMBL
375909,CC1N(C)C1(C[NH3+])CO,0,GDB ChEMBL
37613,C#CC(CC(C)C(C)C)C(C)CCCC,1,GDB ChEMBL
39810,CCC(O)C1CCCCC[NH2+]C1CC(C)[NH2+]C,0,GDB ChEMBL
190012,NS(=O)(=O)CC1C2OC2CC1(O)C(=O)[O-],0,GDB ChEMBL
175843,CS(=O)(=O)N1CC(OCC(=O)[O-])C1C=O,1,GDB ChEMBL
271594,CCC1CC(C)C2OCCC2C1,0,GDB ChEMBL
126911,CCC(C)(C)[NH2+]CC12CCC([NH3+])C1C2O,0,GDB ChEMBL
24468,N=C(CN)Nc1cc(F)ccn1,1,GDB ChEMBL
348477,C[NH2+]CC(N)C1=CCC(C)OC1,0,GDB ChEMBL
165216,Cc1c(F)ccc2c1C1OC1C2,1,GDB ChEMBL
124835,Cc1ccc2c(c1Cl)C1(C)CCC(C2)C1,1,GDB ChEMBL
358830,CCCCC12CCCC(CC1)CC2C,0,GDB ChEMBL
170283,CCc1cc2n[nH]cc2nc1C,1,GDB ChEMBL
112746,NC(=O)NCC1([NH3+])COCCC2C(O)COC21,0,GDB ChEMBL
4931,COC1C(C)CC2(C)C1CCN2C(C)=[NH2+],0,GDB ChEMBL
65580,CC(C)C12CCOCC1C2C(F)(F)F,0,GDB ChEMBL
98514,CCC1(CC)[NH+]2CCCCCCC1([NH3+])C(C)C2,0,GDB ChEMBL
5223,CC1CCCC2(CC[NH2+]C(C)CC2O)C1,0,GDB ChEMBL
220207,CCC1CC(C)CC(C)(C2=CCCC2)[NH2+]1,0,GDB ChEMBL
292209,CC1=CC2(CC2)C(O)CC1C,1,GDB ChEMBL
118694,CC(CN)[NH+]1CCC2(O)CCC3CC3C2C1,0,GDB ChEMBL
354110,CC(O)C(N=CNC(N)=[NH2+])C(=O)N(C)C=O,0,GDB ChEMBL
398968,C#CCc1cc(C)c(C)c(F)c1CCCOC,1,GDB ChEMBL
316126,Cc1cc2ncc(C#N)c(C)c2s1,1,GDB ChEMBL
271846,CC1=CCC(C)CCC(OC(N)=O)C([NH3+])C1,0,GDB ChEMBL
283944,[NH2+]=c1c2cscc1NC(=O)OC(CO)CCC2,0,GDB ChEMBL
384279,CC(C)(O)Cc1c[nH+]c(N)cc(CO)c1=N,0,GDB ChEMBL
380290,CCC12CCc3cccc(C)c3C(CC1)CC2,0,GDB ChEMBL
27776,NS(=O)(=O)CC12C[NH2+]C1C(O)COC2,0,GDB ChEMBL
318091,FC(F)(F)c1cc2c(I)cncc2[nH]1,1,GDB ChEMBL
330089,COC(=O)C12CCC(C1[NH3+])C2O,0,GDB ChEMBL
204400,CC1C=CC2(c3ccc(N)cc3)CC12,0,GDB ChEMBL
245530,C[NH2+]C1C(=[NH2+])NC(C)C(CO)CC1N,0,GDB ChEMBL
34454,CC[NH+]1CC=C(C)CC2CCC2N(C)CC1,0,GDB ChEMBL
117397,CCCC[NH+]=C(N)C1(C)CC1,0,GDB ChEMBL
227932,CC[NH2+]CC([NH3+])CCNCC#N,0,GDB ChEMBL
18683,CNC(=O)C(N)C12CC([NH2+]1)C(O)C2OC,0,GDB ChEMBL
39917,NC(=O)n1nc(C[NH3+])cc([O-])c1=O,0,GDB ChEMBL
124160,CC[NH+]1CCC1(CC(C)=O)C(=O)[O-],0,GDB ChEMBL
267914,C1=C(CC2C[NH2+]C2)CCC1,0,GDB ChEMBL
169500,CC[NH2+]CC(O)CC(Cn1ccnc1)C(C)C,0,GDB ChEMBL
343237,N#CC1OC1CC(O)C(=O)[O-],1,GDB ChEMBL
112620,CCOCCCc1nc(=O)nc(N)s1,0,GDB ChEMBL
207974,CC1CCC2C(C)CC(c3ccoc3)C2C1,1,GDB ChEMBL
313358,CCNC(=O)C(NC=[NH2+])C1CO1,0,GDB ChEMBL
37161,N#CC1(N)C(C(N)=O)OC1C(=O)[O-],0,GDB ChEMBL
295881,OC1C[NH2+]C2C3CCC(C3)C12,0,GDB ChEMBL
206804,CCC([NH3+])(C(=O)[O-])C1CC1[NH3+],0,GDB ChEMBL
216142,O=C1C=C2CCCC=CCC(C1)C2,1,GDB ChEMBL
326439,COCCc1ccc(I)c(NC=[NH2+])c1C,0,GDB ChEMBL
99568,CC(C[NH3+])(C[NH3+])C1(C(=O)[O-])CC(C(N)=O)N1,0,GDB ChEMBL
174068,CC(=O)NCC1C2C3CC3N12,0,GDB ChEMBL
45977,O=C1CC(CCO)CCC=CNC1=O,0,GDB ChEMBL
77720,CC(=O)C1=CC(CCCO)[NH2+]C1,0,GDB ChEMBL
243392,CC1CC2[NH+]3CC(C)(O)CC3C1C2(C)C,0,GDB ChEMBL
182506,CC(=O)CCC(=O)c1cc(I)cc(C)n1,1,GDB ChEMBL
283264,COC(C)(C)CC1CC(C)C2C=CC1C2,0,GDB ChEMBL
312235,CC1CC2CC2C2CC[NH2+]C1C2,0,GDB ChEMBL
44353,COCCCOC1(C)C(=O)C=CC1C,1,GDB ChEMBL
354157,NC(=[NH2+])C1CN=C(N)NC(=O)C1N,0,GDB ChEMBL
24782,C#CCC(C)CC1CCCC2C[NH+]1C2,0,GDB ChEMBL
38514,CS(=O)(=O)N(C=O)Cc1cc(C(N)=O)n[nH]1,1,GDB ChEMBL
338877,C[NH+]1CCC(=O)NC2C(O)C2C1C=O,0,GDB ChEMBL
273832,NC(=O)C1(C[NH3+])C(=O)NC2CC21C(=O)[O-],0,GDB ChEMBL
109497,COc1c[nH]c(=N)c(S(N)(=O)=O)c1N,1,GDB ChEMBL
248605,CC(=O)NC1C(OS(N)(=O)=O)CC2OC21,1,GDB ChEMBL
122937,CC#CC1CC=C(C)CC(O)C([NH3+])C1C,0,GDB ChEMBL
89640,COC12C(O)C(CO)OC1(C[NH3+])C2NC=O,0,GDB ChEMBL
140362,CC#Cc1cccc(CCCCC)c1,1,GDB ChEMBL
208368,N#CCN1CC(=O)C(CO)C1=N,0,GDB ChEMBL
235964,CC1C[NH2+]C(C(=O)[O-])C2(O)CC2(N)C(=O)O1,0,GDB ChEMBL
65928,CCCC1CC(OCC)CC2(C1)CC(C)[NH2+]2,0,GDB ChEMBL
41024,COC(=O)c1ncc(C(N)=O)n1C(N)=O,1,GDB ChEMBL
318076,C#CCCC(=O)C(C)CC[NH+]=C(N)CCCC,0,GDB ChEMBL
350251,C#CCCC1NCc2[nH]c(C)c(C)c2C1=O,0,GDB ChEMBL
386702,CCC(O)C(C)C1(NC(N)=O)CC1(O)CO,0,GDB ChEMBL
174861,CCCC(C)C(C)(C)c1cc(Cl)c([O-])c(Cl)c1,0,GDB ChEMBL
202036,CCC1(OC)COC(C)C2(C)C(C)CCC2C1,0,GDB ChEMBL
33216,C#CCCCC=CCCC(=C)CC,1,GDB ChEMBL
334397,COCC1[NH2+]CC2CCC(C)N2C=[NH+]CC1C,0,GDB ChEMBL
141981,NC(=[NH2+])C1CC1C(C[NH3+])C(=O)[O-],0,GDB ChEMBL
217389,CNC(CO)=NC(C(N)=O)C(O)C[NH3+],0,GDB ChEMBL
169492,CC(O)C(C)Cc1ccnc(C(N)C(=O)[O-])n1,0,GDB ChEMBL
353595,CCNc1[nH+]ccc(C2CC2)c1C(C)=N[O-],0,GDB ChEMBL
195412,[NH3+]CC(O)C1NC2C(=O)[N-]S(=O)(=O)C21,0,GDB ChEMBL
184232,CC1OC(C(=O)[O-])C2CC1[NH2+]2,0,GDB ChEMBL
220158,CC1C2C(O)CC[NH2+]CCOC12CO,0,GDB ChEMBL
47372,COC1C2CCOC1(C)C(C)C2C[NH3+],0,GDB ChEMBL
261343,CCC1CC2CC3CCC2C3(C)C1,0,GDB ChEMBL
353938,NC(=O)CN=C(N)OCC1[NH2+]CC1O,0,GDB ChEMBL
127181,COCC1C2CCC13CC([NH3+])C2O3,0,GDB ChEMBL
34738,CCCN1C=CC(=O)C(C#CC(C)C)C1,0,GDB ChEMBL
151197,CNC(=[NH+]CCOC)N(C)C(N)=[NH2+],0,GDB ChEMBL
284268,C=CC1C(=O)CC=C1CCCCC,0,GDB ChEMBL
228429,COC(=O)C(CCC(C)CO)C(=O)[O-],0,GDB ChEMBL
346841,CNC(C)(CC#N)c1c(F)cccc1F,1,GDB ChEMBL
278841,CC1CC2NCCC(O)C(C)C2[NH2+]1,0,GDB ChEMBL
44124,CCC1=CC(C)(C)CCCC=CC1,1,GDB ChEMBL
275633,NC(=[NH2+])C(Cc1ccn[nH]1)C(C[NH3+])CC(=O)[O-],0,GDB ChEMBL
212580,C#Cc1c(C)cccc1NC1C2CCC1CC2,1,GDB ChEMBL
335514,CC1CCC(O)C(C2N=CNC2C(N)=O)CC1,0,GDB ChEMBL
118141,CC1([NH3+])CC2C3OCC1C2NC3=O,0,GDB ChEMBL
40896,C#CC1C(O)CC2(C)CC(CCO)CC12,0,GDB ChEMBL
98883,CCCC1C(C)CCC(C)CC1OC,1,GDB ChEMBL
277423,CC1CC2CC3(C)CCCC3CC2O1,0,GDB ChEMBL
130855,CC1NC(=O)C(C(N)=O)C(C)(O)C1C[NH3+],0,GDB ChEMBL
77838,CC1N2C(=O)OC(CO)C2CCC12CC[NH2+]2,0,GDB ChEMBL
354754,CCCc1cc(C(C)C)cc(Br)c1C(C)OC,1,GDB ChEMBL
118837,CCC1CCC(CC(C)(O)CCC=O)C1,1,GDB ChEMBL
148165,C[NH+](CC1C(=O)Oc2cc(O)cn21)C1CC1,0,GDB ChEMBL
21439,C=C1C(=N)OC(=O)NCC1C(=O)[O-],0,GDB ChEMBL
44695,CCN1C(=O)C=C(C)CC1COC,1,GDB ChEMBL
8676,CNC(C(O)C#N)C(OC(C)=O)C(=O)[O-],0,GDB ChEMBL
366735,CC1Cc2c(I)cccc2CC12CC2,1,GDB ChEMBL
127056,C#CC1(C[NH3+])CC1[NH2+]CC(C)O,0,GDB ChEMBL
371697,CCC[NH+]1C(CN)C2CC1C2(C)CC,0,GDB ChEMBL
59660,CCN(CC(=O)NC)S(=O)(=O)CO,1,GDB ChEMBL
306299,O=C([O-])CC12C[NH2+]C(COC1=O)C2,0,GDB ChEMBL
147254,NC(=[NH2+])NC1CNC1=[NH+]CC(=O)[O-],0,GDB ChEMBL
332406,C[NH2+]C1CC(C#N)N(C)C(C)(C(C)C(C)O)C1,0,GDB ChEMBL
105139,CCCCC1(OC)CC=CC(O)C=CC1,0,GDB ChEMBL
332687,CC(O)C[NH+]1CC2(C(F)(F)F)CC(O)CC1C2,0,GDB ChEMBL
298931,CCCCC(C)(C)C(CCC1CC1)[NH2+]C,0,GDB ChEMBL
148510,c1csc(C2CCC3CC3C2)c1,1,GDB ChEMBL
235233,C=CC(O)C1CCCC(CO)C1[NH3+],0,GDB ChEMBL
179323,CNS(=O)(=O)C1C(=O)NC2C[NH2+]C1C2CO,0,GDB ChEMBL
181673,Cc1cccc2cc(ccc1)CC(C)(C)CC2,0,GDB ChEMBL
70946,C1CC(C[NH2+]C2CCC2)C1,0,GDB ChEMBL
254846,CCc1nc(N)c(N)c(C(N)=O)c1C,0,GDB ChEMBL
189761,CC1CC2[NH+]3CC=CC1C2(C)CC3,0,GDB ChEMBL
275669,NC(=O)C1CC2C[NH+](C1)C2C(O)C[NH3+],0,GDB ChEMBL
250590,CC1=NC(c2c(Cl)ccc(Cl)c2C)C(C)(C)O1,0,GDB ChEMBL
261379,CCC1(C)[NH2+]C2CN(C(N)=[NH2+])C(C(=O)[O-])C21,0,GDB ChEMBL
135799,[NH3+]CC(O)C([NH3+])C1OC1CCS(=O)(=O)[O-],0,GDB ChEMBL
156149,CCC(C)C1C(OC(C)C)C1(O)CC,0,GDB ChEMBL
389049,CC(CO)C1(C(=O)C(=O)[O-])CC1,0,GDB ChEMBL
196475,N#CC(CC(=O)[O-])C1CN1,1,GDB ChEMBL
280788,COCC(Cc1cc(Br)ccn1)C1CCCC1,1,GDB ChEMBL
397905,NC(=O)C(C([NH3+])CO)N(C=O)C(=O)OCCO,0,GDB ChEMBL
374359,CCC(=O)N(C(C)C[NH+]=CNC)C(C)(C)CO,0,GDB ChEMBL
116075,C=CCC1(C)CC([NH2+]CCCO)C1,0,GDB ChEMBL
318081,C#CC1=CC=CCOCCC(C)CC1,0,GDB ChEMBL
259086,CC(C[NH3+])C(C)N(C=O)CC([NH3+])CC(N)=O,0,GDB ChEMBL
204815,CC(C[NH2+]C(C)C)NC(=O)C[NH3+],0,GDB ChEMBL
115602,CC(=O)CC1(C2CCCC2)CO1,1,GDB ChEMBL
155822,C1=CCC2(CCCC2)COCC1,1,GDB ChEMBL
22524,CC12CC(O)C(N)C1(C#N)NS(=O)(=O)C2,0,GDB ChEMBL
70137,[NH3+]CC1OC1(CCO)CCO,0,GDB ChEMBL
129590,C=C(C)C(C(N)=O)C1(C)OCCO1,1,GDB ChEMBL
265276,CCOC1C2CNC(=O)C(C[NH2+]C)CC21O,0,GDB ChEMBL
227251,C#CCCCC1(CC)CCc2cc(C)ccc21,1,GDB ChEMBL
194466,CS(=O)(=O)CC1NC(=[NH2+])OC1C(O)CC=O,0,GDB ChEMBL
350951,C#CCC(C)C1(C)CC(C[NH3+])C(CC)C1(C)O,0,GDB ChEMBL
337098,CC1NC(=O)C2CC12C(O)CO,0,GDB ChEMBL
92317,Cc1ncoc1C1(CO)NC1CC[NH3+],0,GDB ChEMBL
378269,C[NH2+]CCC1(OC)CC1C1CC1,0,GDB ChEMBL
78309,CCC(Nc1nc[nH]n1)C(C[NH3+])(C[NH3+])CO,0,GDB ChEMBL
126397,Cc1nccc(O)c1C,1,GDB ChEMBL
347873,C#CCC1(C2CNC(=O)CC2[NH3+])CC(C)C1,0,GDB ChEMBL
333654,CC[NH+]1CC2CC3(C=CC1C3)C2,0,GDB ChEMBL
363571,C=C1CCCC(CCCC)C1(C)C,1,GDB ChEMBL
161813,CC(=O)OC1CNS(=O)(=O)CC1O,1,GDB ChEMBL
385395,[NH3+]CCC1C(O)C([NH3+])CC2CC21,0,GDB ChEMBL
352869,CC(O)C(CC1C[NH2+]CC1[NH3+])c1ncnn1C,0,GDB ChEMBL
382105,NC(=O)CC(CO)Cc1cnsc1CO,0,GDB ChEMBL
339077,COCC1OCC(N)=[NH+]CC1O,0,GDB ChEMBL
318142,[NH3+]CCCc1c[nH]cnc1=O,0,GDB ChEMBL
120708,N#CC1CCC=C2C(CC2(O)CC(=O)[O-])N1,0,GDB ChEMBL
246777,C#CC1C[NH+](C)C(C)C=C1C(C)C,0,GDB ChEMBL
4734,C#Cc1cc(C)c(C)cc1C(C)C(C#C)OC,0,GDB ChEMBL
82174,CCC(C)COCc1nc[nH]n1,1,GDB ChEMBL
363556,C#CCN(CC(F)(F)F)C(C)C(C)(C)C,1,GDB ChEMBL
124784,CCn1c(CC(C)(C)C)cc(CC[NH3+])c1N,0,GDB ChEMBL
137089,CNC(C#N)C1(C(=O)[O-])NC(C)(CO)CC1O,0,GDB ChEMBL
87659,CCCC12CCCC1C(C)CC2=O,1,GDB ChEMBL
95900,C#CC1(O)C[NH2+]CC1N(C)CCNC(N)=[NH2+],0,GDB ChEMBL
190009,Nc1ncc(C(=O)[O-])[nH]c1=O,0,GDB ChEMBL
348707,NC1CC([NH3+])C2OCC2NC1=O,0,GDB ChEMBL
40886,CC[NH+]1CCCC(O)(C2C=CCC2(C)O)C1,0,GDB ChEMBL
81727,N#CC1CC#CCCC([NH3+])CC1,0,GDB ChEMBL
137374,CCNC(=O)N1C2CC3CC3C21,0,GDB ChEMBL
98529,CCc1cnn(C(C)C)c(=N)c1S(N)(=O)=O,1,GDB ChEMBL
235918,CCOC(C#N)C(=O)N1CC1C(N)=O,1,GDB ChEMBL
184630,CC(CO)N1C(=O)NCC1COCC(O)C#N,1,GDB ChEMBL
37178,CC1CC2(CCC[NH+](C)C3CCC32)CC1C,0,GDB ChEMBL
119225,CC1C2C[NH+](C)C3C1CC2C3(C)C,0,GDB ChEMBL
92312,N=c1nc(O)nc(C(=O)NCCO)s1,0,GDB ChEMBL
245851,N#CC1CC2C(C[NH3+])C1CN1C(=O)OCC21,0,GDB ChEMBL
330335,C1#CCCOCC=CCCC1,1,GDB ChEMBL
319789,CCC(O)C1[NH2+]CC(S(N)(=O)=O)C1C,0,GDB ChEMBL
76451,CN1CC[NH2+]C2C1C2(C)C,0,GDB ChEMBL
107023,[NH3+]CCOC=NC1CCCC1,0,GDB ChEMBL
288133,O=C([O-])C1CC1C1(O)C[NH2+]C1CO,0,GDB ChEMBL
352567,O=C([O-])CN=C1NCCCCS(=O)(=O)N1,0,GDB ChEMBL
72418,CCC#Cc1nc(C(C)(C)C)cc(I)c1C,1,GDB ChEMBL
378911,CC1C(CO)C(O)C2C[NH2+]CC12,0,GDB ChEMBL
132254,CC1=CCC2(CCC2)CC(C)CCC=C1,0,GDB ChEMBL
49167,CC1C2CCCNC(N)=[NH+]C12C,0,GDB ChEMBL
300541,C1CC2(C[NH2+]1)C1CCC2C2CCC21,0,GDB ChEMBL
49178,CC(C)C1CC(CCO)CC(C)C1C(F)(F)F,0,GDB ChEMBL
164676,COC(C)CC(O)(C=O)CO,1,GDB ChEMBL
153348,CC1NS(=O)(=O)C2C1C2(N)C[NH2+]CC(=O)[O-],0,GDB ChEMBL
112809,COCC#CCC1C(C)C1C,1,GDB ChEMBL
242985,CC1=CCOC(=O)C=C(C)C(CC(C)C)C1,0,GDB ChEMBL
368182,CCc1ccc(CC#N)c(F)n1,1,GDB ChEMBL
376641,N=C1[N-]S(=O)(=O)C(CC(N)=O)C1O,0,GDB ChEMBL
321774,C#CCC1(C)C[NH2+]CC(C(F)(F)F)C1,0,GDB ChEMBL
99564,C[NH2+]C1CC(C=O)NC(C)C1O,0,GDB ChEMBL
233437,CC1C(=O)NC(=N)NCC[NH+]1CCC=NO,0,GDB ChEMBL
83505,C#CCC1CC2C=CCC(C1)[NH+]2C,0,GDB ChEMBL
289976,Ic1cccc(CC2C[NH2+]C2)c1,0,GDB ChEMBL
239968,CC(=O)N1CC2C[NH2+]C3CC(C1)C23,0,GDB ChEMBL
87519,O=C1CCC=CC(C(=O)[O-])OC1=O,1,GDB ChEMBL
225363,NC1=NCCCNc2cc(Br)c(CO)c(c2)O1,1,GDB ChEMBL
47505,CCOC(C)Cc1cc(C)c(N)c(F)c1,1,GDB ChEMBL
347888,C#CC1(C)CCC[NH+]2CC(C)CC21,0,GDB ChEMBL
303334,CC(C)C1(C)CC2CCC1C2C(F)(F)F,0,GDB ChEMBL
85845,COCC(O)C(=O)CC=O,1,GDB ChEMBL
44607,CCC1C(N)C(=O)OC2C(CO)[NH+]=CNC12,0,GDB ChEMBL
110224,CCC(CNC=O)C1([NH3+])CC1,1,GDB ChEMBL
252637,CCC(C)CCC1N(C)C1(C)C,1,GDB ChEMBL
184937,CC(C)(CS(=O)(=O)[O-])C(O)C(=O)[O-],0,GDB ChEMBL
225826,CCC12CC3CCN1C2C3O,0,GDB ChEMBL
188121,CC(C)C(C)C1(C#N)CC2CCCC1C2,0,GDB ChEMBL
248612,CC(C)CC1C2CC3CC3CC[NH2+]C12,0,GDB ChEMBL
174880,CC12C=CC[NH+](CCC(=O)[O-])C(C1)C2O,0,GDB ChEMBL
328965,COC(C)C12C=CC(C)CC(C1)C2,0,GDB ChEMBL
99563,CCN1CC2CC3C[NH2+]C(C2C)C31,0,GDB ChEMBL
71284,CCCC12CC1(O)CCC(C[NH3+])NC2=O,0,GDB ChEMBL
344362,CCOCS(=O)(=O)N1CCCC1C#N,1,GDB ChEMBL
50240,CC(O)C1NC(C(CO)OC=O)C(=O)NC1=O,0,GDB ChEMBL
130490,C1=CC2=CC[NH+](CCC2)CC[NH2+]C1,0,GDB ChEMBL
379161,NS(=O)(=O)CC12C[NH2+]C(C1O)C2C(=O)[O-],0,GDB ChEMBL
53888,CCCCC(C)C(CC)(CC)CC(C)CCC,0,GDB ChEMBL
337961,O=CN(C=O)C1(CO)C[NH2+]C1C(=O)[O-],1,GDB ChEMBL
250629,C=CCCCC1CC=CCCC1C,0,GDB ChEMBL
130406,CN(C)C=[NH+]CCOCCC1(CO)CC1,0,GDB ChEMBL
40927,NC1=[NH+]CC(O)(C(O)CC[NH3+])C(C(=O)[O-])O1,0,GDB ChEMBL
398975,CC(O)C(C)[NH2+]CC1(CC[NH3+])CN(C=O)C1,0,GDB ChEMBL
235947,CC1=CCCC2CCCC1(C)C2C,0,GDB ChEMBL
380270,C#CC[NH+]1CC=C(C(C)CO)C1,0,GDB ChEMBL
379237,CN1CC2(C#N)CNC(=O)C(O)C12,0,GDB ChEMBL
365774,NC(=O)C1CC(=O)Nc2scnc2C1,0,GDB ChEMBL
274592,Nc1cc(N)c(=O)n(C2CCC2)n1,1,GDB ChEMBL
204806,CNC(C)(CO)C(N)=[NH2+],0,GDB ChEMBL
318796,CC1OCC(=O)NC1C=CS(N)(=O)=O,1,GDB ChEMBL
276336,CCN(C)C(=O)C(N)C1(C)C(C)[NH2+]C(C)C1C,0,GDB ChEMBL
257399,C#CC(C#N)N(C)c1cscn1,1,GDB ChEMBL
202502,Cc1nccoc(CC(N)=O)ccn1,0,GDB ChEMBL
162510,CC1CC(C(N)=O)CC12C(O)C(=N)N2C,0,GDB ChEMBL
361672,C#CC[NH2+]CC(Cn1ccnc1)C(N)=[NH2+],0,GDB ChEMBL
201683,CCC([NH2+]CCCO)C1(O)C=C(C)CC1,0,GDB ChEMBL
23502,CC12CCCC1CC(OC=O)CC2,1,GDB ChEMBL
248646,CC(CC1C2CCC1[NH2+]2)C1CCCC1,0,GDB ChEMBL
294756,CC(C#N)CC(CO)C(N)=[NH2+],0,GDB ChEMBL
291463,Cn1cc(S(=O)(=O)[O-])c(NCC(N)=O)n1,0,GDB ChEMBL
362850,CC1(C)CC([NH3+])C2OCC2C(O)C(=O)N1,0,GDB ChEMBL
383031,CC(C)C1CC2CC1CCC1(C[NH2+]C1)C2,0,GDB ChEMBL
286878,[NH3+]CC(C(=O)[O-])C12CCC1N2,0,GDB ChEMBL
344353,NC(=[NH2+])NCC(O)C1C(O)CC(O)C1O,0,GDB ChEMBL
334063,NC1C(=O)NC(=O)C2OC12C(=O)[O-],0,GDB ChEMBL
206955,CC1=C(CCC(=O)[O-])C(C)(C(N)=O)CC1,0,GDB ChEMBL
126656,CC#CC1(COC)CC(C=O)C1,1,GDB ChEMBL
44942,CC1CC2(CC#N)CNCC([NH2+]1)C2CO,0,GDB ChEMBL
34954,N=C(N)NC(=O)NC(=O)C1OC1C[NH3+],1,GDB ChEMBL
27918,CC(=O)N1CC(O)CCC1(C)C1C(C)N1C,0,GDB ChEMBL
119870,CC(=NO)C(O)(CCNC(=O)CO)C1CN1C,0,GDB ChEMBL
71682,CC(NC(=O)CO)c1ncnnc1CO,0,GDB ChEMBL
196513,CCNC(=O)C1CC(=NO)C2=CCOC2O1,0,GDB ChEMBL
308304,NC1=[NH+]CCOC(=O)NCCS(=O)(=O)C1,0,GDB ChEMBL
354116,C#CCCc1c(I)cc(C#C)cc1C(C)OC,0,GDB ChEMBL
232060,CC(CS(=O)(=O)C1CC1)C(=N)OCCCO,1,GDB ChEMBL
356549,CCC1(CC)C2CCC1C1CC3CC3CC12,0,GDB ChEMBL
249551,CC1Cc2ccccc2C(C)[NH+]1CCCCO,0,GDB ChEMBL
3958,CC1[NH2+]C(C2CC2)C2C=CC1CC2,0,GDB ChEMBL
170458,N#CC1(C(N)=[NH2+])C(O)C(=O)[N-]C12COC2,0,GDB ChEMBL
26587,CCC1(C)NC2CC(O)C(C)([NH3+])C2N(C)C1=O,0,GDB ChEMBL
84259,C#CC(C[NH3+])C(C)(C)C([NH3+])C(C)(C)O,0,GDB ChEMBL
147535,CC[NH2+]C1C(C)CC2CCC1[NH2+]2,0,GDB ChEMBL
23465,CC(OC(=O)CCS(=O)(=O)[O-])C(=O)[O-],0,GDB ChEMBL
135818,CCCCCC(C)C1(C)CCC=CC1CC,0,GDB ChEMBL
65637,C#CC[NH+]=C(N)c1cccc(C)c1Br,0,GDB ChEMBL
208396,[NH3+]CC(O)C12CS(=O)(=O)[N-]C(=O)C1C2[NH3+],0,GDB ChEMBL
317939,NC(=O)CNC(=[NH2+])CC(O)C#CCO,0,GDB ChEMBL
127675,CCC(C)(CCC#N)C(C)C,1,GDB ChEMBL
272582,COCC(CO)C(=O)C(C)(C)CCC(N)=O,0,GDB ChEMBL
298190,CCC[NH+](C)CCOC=[NH2+],0,GDB ChEMBL
153738,CC1C[NH2+]C(CO)CC2CN12,0,GDB ChEMBL
356556,COCC(C[NH3+])CN(C=O)CC(O)C[NH3+],0,GDB ChEMBL
383049,CC(C)CC(C)C(C)C1(C)CCC(C)CC1C,0,GDB ChEMBL
195475,CC1=CCC(C)[NH+](C)C1,0,GDB ChEMBL
189894,COCC(C)CC1(COC=O)COC1,0,GDB ChEMBL
119841,COCC([NH3+])CCNC(=[NH2+])CNC(C)=O,0,GDB ChEMBL
125670,C[NH2+]C(C)(C)C(CCCCOC)C1CN1,0,GDB ChEMBL
303890,COC1C(O)CN2C3(C)C(=O)NCC123,0,GDB ChEMBL
328909,CC#CC1N=C2NC(=O)CC2NC(=O)C1O,0,GDB ChEMBL
345796,C#CC1CCCC(C)CC(CC)C(C)C1,0,GDB ChEMBL
292666,CC(=[NH2+])N(C)C1CC1C[NH3+],0,GDB ChEMBL
132517,CCC1CCC2(C)OC2C1CC(C)C,1,GDB ChEMBL
319325,CCCCOC1CC(CC(C)C(C)C)C1[NH3+],0,GDB ChEMBL
45925,CCC(C)C1(C(C)C)CC1C(C)OC,1,GDB ChEMBL
281215,CCC([NH3+])C(CC)CO,1,GDB ChEMBL
389369,O=C(CCO)NCc1ncnc(=O)o1,1,GDB ChEMBL
130236,CCOCC1(O)CC(=O)C1,1,GDB ChEMBL
308683,COC(=O)C[NH+]1CC(C)(C)C(CO)CC1(C)C,0,GDB ChEMBL
214022,C#CC[NH2+]CCC(C)(C)CCC1CCCCC1,0,GDB ChEMBL
382474,CC1=CCC2(C3[NH2+]Cc4cnccc43)CC12,0,GDB ChEMBL
376701,C#CC1(O)CC1C(=O)CC(=O)OC,1,GDB ChEMBL
244487,CC(C)(O)C1C[NH2+]CC1O,0,GDB ChEMBL
296982,C[NH2+]CC1NC2(C)CCC1OC2C(N)=O,0,GDB ChEMBL
284884,N#CC(C(=O)[O-])C1OC2(C(=O)[O-])COC1C2O,0,GDB ChEMBL
382587,Cc1cc(Oc2[nH]cnc2N)ncn1,1,GDB ChEMBL
209731,Cc1ccc(C[NH3+])cn1,1,GDB ChEMBL
140100,COC(C)Cc1c(C)cc(F)cc1F,1,GDB ChEMBL
281962,C#CCN1C(N)=N[C-](C#N)c2cc(I)ccc21,0,GDB ChEMBL
35004,NC(=O)C(O)COCC(O)CO,1,GDB ChEMBL
217366,CCOC(=O)c1cnc(C)c(=O)c(N)n1,0,GDB ChEMBL
185991,CCC1(C(C)C)CCCOC1,1,GDB ChEMBL
225215,CC1([NH3+])C#CCOCC(=O)NC1,0,GDB ChEMBL
236583,CC1C=C(C(=O)[O-])NC1=O,0,GDB ChEMBL
130620,CC(CC(C)C(=O)C(=O)[O-])NC(=O)CO,0,GDB ChEMBL
318517,CC(=O)NC1=CCC(CC(O)C[NH3+])C1[NH3+],0,GDB ChEMBL
98617,CCC[NH2+]CC(O)C(C)C(N)C#N,0,GDB ChEMBL
351348,C#CCC1CC=CC=CC[NH2+]CC1,0,GDB ChEMBL
6876,C#Cc1cc(=O)n(C)c(C#CC2CC2)c1Br,1,GDB ChEMBL
299581,CNC12CC(CO)C(C1)OC2=O,0,GDB ChEMBL
261187,CCc1ccc(Br)c(C)c1OC(=N)N1CC1,1,GDB ChEMBL
361169,CC1(CO)C=CC[NH2+]C1C(N)=O,0,GDB ChEMBL
157436,CCCCC(CCC(=O)CO)C1C[NH2+]CC1C,0,GDB ChEMBL
1948,Nc1nnn(CC(CO)C(=O)[O-])n1,0,GDB ChEMBL
237965,CC12CC3CC(C(=O)[O-])N1C2C[NH2+]3,0,GDB ChEMBL
41103,CCCC1CC(C)(C(C)[NH3+])C(CC)C1C,0,GDB ChEMBL
133351,COC1(C)C(=O)[N-]S(=O)(=O)C1C,0,GDB ChEMBL
338269,CC(C)Cc1nc2c3c(ccc2n1C)CCC3,1,GDB ChEMBL
178000,COc1nc(N)nc2cn[nH]c(=O)c12,1,GDB ChEMBL
146887,CC1(CO)C2OC(=O)CC21O,0,GDB ChEMBL
218827,O=C1OCCNC(=O)C(C(=O)[O-])O1,1,GDB ChEMBL
284873,CC1(NCC([NH3+])C(O)C(=O)[O-])C(O)C1O,0,GDB ChEMBL
26607,Cc1ccc(O)c2cc(C3CO3)oc12,1,GDB ChEMBL
297235,CCCC1C2CN(C)CC12[NH3+],0,GDB ChEMBL
181181,COC1C2C[NH2+]C3CC([NH3+])C(O2)C31,0,GDB ChEMBL
155138,CC[NH2+]CCC1C=C(CO)C[NH2+]1,0,GDB ChEMBL
34875,CC(COCCO)NC(=[NH2+])C1COC1,0,GDB ChEMBL
234897,CC1[NH2+]C(CC(=O)[O-])C1OS(N)(=O)=O,0,GDB ChEMBL
326435,CCC1CC2NC(=[NH2+])CC2(N)CCCNC1=O,0,GDB ChEMBL
350244,Cc1c[nH]c2c(C)cc(C(=O)NCC[NH3+])c-2n1,0,GDB ChEMBL
234426,CC(C)(CC=O)NCC(C#N)NCC(N)=O,1,GDB ChEMBL
126411,CC(C)C1C(C)(C)C1(O)CCC1CC1,1,GDB ChEMBL
209418,C1=CC2CCC(C1)C[NH2+]C2,0,GDB ChEMBL
34163,COCC1([NH3+])CC=Cc2cc(Cl)cc(C)c21,0,GDB ChEMBL
236037,C#CCC(NC(=O)NC)C(C)C,1,GDB ChEMBL
333102,CC1OC2(C(N)=O)C(C)[NH2+]C1C2O,0,GDB ChEMBL
68625,COC(=O)C(=O)C(CC=O)NC1(C)CCC1,1,GDB ChEMBL
176514,CC[NH2+]C1COC2C(O)C12C(C)C,0,GDB ChEMBL
41293,CCCCC12CC1C(C)(C)CC2C,0,GDB ChEMBL
6847,O=C([O-])CCCc1cc2[nH]nnc2s1,1,GDB ChEMBL
289239,N#CC(c1ccon1)C(C(N)=O)C(=O)[O-],0,GDB ChEMBL
260593,CCNC(C)c1nc(C)no1,1,GDB ChEMBL
62077,CCC1CC[NH+]2CC(CC)C(C)(C)C2C1(C)C,0,GDB ChEMBL
127899,O=C1CCC2CCC(C1)C[NH+](C1CC1)CC2,0,GDB ChEMBL
4995,CC[NH2+]C(C)CC1C2CCC21,0,GDB ChEMBL
338361,NC(=O)[C-](C=O)C(=O)C(O)C(O)CO,0,GDB ChEMBL
113517,N#CCC1NC(=O)NCCOCC1[NH3+],0,GDB ChEMBL
81563,CCCC1C[NH2+]C(C)C1C1C2CCC1(C)CC2,0,GDB ChEMBL
217673,CCCC1(NC)C[NH2+]C1,0,GDB ChEMBL
228903,CC1(C)C2(O)Cc3c(Cl)cccc3C12C,1,GDB ChEMBL
376702,CN(CC1(S(C)(=O)=O)C(O)C1O)C(N)=[NH2+],0,GDB ChEMBL
151745,CCNC(=O)c1ccc(COS(N)(=O)=O)s1,1,GDB ChEMBL
385428,CC1(C)Oc2cn[nH]c2C(=O)NC1=O,1,GDB ChEMBL
307963,COC(C[NH3+])CC12CC1C1C[NH2+]CCC2[NH2+]1,0,GDB ChEMBL
133016,NC(=O)C([NH3+])C(O)CC1CN=COC1,0,GDB ChEMBL
261380,CC=C1C=CC(=O)N(C)C(CO)C1,0,GDB ChEMBL
125626,CC1OC(C)C2(C[NH3+])C[NH2+]CC(C2)C1O,0,GDB ChEMBL
17294,CCC(C)C(C)OC(C)(C)CCC1([NH3+])CC1,0,GDB ChEMBL
305838,CCC1[NH2+]C(C)C2CC=CCC12,0,GDB ChEMBL
130643,C#CC(C)C(C)CC[NH+](CC)CC(C)(C)C,0,GDB ChEMBL
185927,CC1=CC(=O)N(C)C2CC2CN1,1,GDB ChEMBL
279090,CC([NH2+]CC1CC1)c1cnc(I)cc1CO,0,GDB ChEMBL
356479,CN1CC(C(=O)N(C)S(C)(=O)=O)NC1=[NH2+],0,GDB ChEMBL
180826,C#CC[NH+](C)C12CCOC(CC1)C2(CC)CC,0,GDB ChEMBL
95161,CCC1CCCC(C)C2CC2[NH+]1C,0,GDB ChEMBL
318402,[NH2+]=C1NC(COC(CO)C[NH2+]C2CC2)CO1,0,GDB ChEMBL
340422,C#Cc1c(C)cc2c(c1F)C1CC1C(C)C2,1,GDB ChEMBL
90352,CCC(C)(CCO)CN1CC1C#N,1,GDB ChEMBL
331197,CC1CC2C3CCCCCC(C3)CC1(C)[NH+]2C,0,GDB ChEMBL
319203,CCC[NH+](C)C1CC(NC)C(OC=N)OC1C,0,GDB ChEMBL
252575,COCC1[NH+]=C(N)C(CC(=O)[O-])C2(C)NC12,0,GDB ChEMBL
87538,CCOC1COCCC1C(CCO)C1CC1,0,GDB ChEMBL
127774,C#CC(CC(=O)OCCC(=O)N(C)C)C(C)=O,1,GDB ChEMBL
6527,CCC1CC1C(O)C(C)C(C)[NH3+],0,GDB ChEMBL
41291,Cc1cc2c(C)c3c(c(N)c2[nH]1)CCCC3=O,1,GDB ChEMBL
136074,O=C1CNCc2ncc(C(=O)[O-])n2C(=O)[N-]1,0,GDB ChEMBL
101897,NC(N)=[NH+]c1nc(N)c(O)c(O)n1,0,GDB ChEMBL
257510,CCCC1OC(C#N)COC(=O)CC(N)C1[NH3+],0,GDB ChEMBL
234270,CC[NH2+]CCC1C2CC[NH+](C)C12,0,GDB ChEMBL
18872,C#CCC(CC#C)c1c(Cl)cc(Cl)c(C)c1O,0,GDB ChEMBL
340497,C#CC(C)OCCC1CCc2cc(I)ccc21,1,GDB ChEMBL
282203,C#Cc1c(F)c(C)c(N)c(C([NH3+])CC)c1F,0,GDB ChEMBL
382179,CC#CCC(C)C[NH+](C)C(C)CCC#N,0,GDB ChEMBL
249861,CCCCCC1=CCC(C)(CC(C)C)C1,1,GDB ChEMBL
127700,CC(C)C(CCNC=O)OC1CC1,1,GDB ChEMBL
204830,[NH3+]C1COCCN(C2CC2)C1,0,GDB ChEMBL
259513,N=C1CN(C(N)=O)C(=O)COCCO1,1,GDB ChEMBL
259564,Cc1cc(N)c(Cl)c(C#N)c1C#N,1,GDB ChEMBL
53835,C#CCC(=O)C1C(CCC)CCOC1(C)CC,0,GDB ChEMBL
125559,CC[NH2+]CCCC1=NCCO1,1,GDB ChEMBL
391776,CNC(=O)Cn1cnnn1,1,GDB ChEMBL
312889,COCC12CC1COCCCC(C)(C)C2,0,GDB ChEMBL
89712,CC(CO)[NH+]=C(N)N(C)C,1,GDB ChEMBL
103415,CCC1CCCC(C)(CC)C(C)CC1,0,GDB ChEMBL
284005,CC(=O)NC1C(CO)CC(N)=[NH+]C1C#N,0,GDB ChEMBL
342573,CC1=C(C2C[NH+](C)C2)C(N)C(=O)NC1=O,0,GDB ChEMBL
176464,N#CC[N-]C(=O)C1OC1C[NH3+],0,GDB ChEMBL
352173,CC[NH2+]CC1(CC([NH3+])C(=O)[O-])CC1,0,GDB ChEMBL
295873,NS(=O)(=O)OCC1CC2OC2C1[NH3+],0,GDB ChEMBL
348580,CCC12OC(=O)NC1S(=O)(=O)N(C)C2CO,0,GDB ChEMBL
331734,CC1CCC2CC3CC[NH2+]C3C2CC1,0,GDB ChEMBL
70916,C[NH2+]CCOCCC(=NO)C(C)C(N)=O,0,GDB ChEMBL
181393,CCC(C)NC(=O)C12NC1CC(O)C2[NH3+],0,GDB ChEMBL
34379,CCC(C)C1CCCC(C)(C#N)C1C(C)C,0,GDB ChEMBL
234868,C[NH2+]CC(CCCNC=O)C(C)C1=NCCO1,0,GDB ChEMBL
352615,CC#CC1(C)CC=CCC1CCCO,0,GDB ChEMBL
286301,CC1(CO)CNC(C(N)=[NH2+])C(C[NH+]=C(N)N)O1,0,GDB ChEMBL
380367,CC1CC2CCC=C2CCCC(C)(C)C1,1,GDB ChEMBL
334573,COC1C2C3CC([NH+](C)C3)C12C,0,GDB ChEMBL
61892,CC1CNC(=N)NC(=O)n2cc(N(C)C)cc21,0,GDB ChEMBL
58941,CC1CC1(CO)CN(C)C=O,1,GDB ChEMBL
22056,CCCCC1CC2CCC(C)(C1C)C2C(C)C,0,GDB ChEMBL
252652,CNC1C=CN(Cc2ccno2)C(N)=[NH+]C1,0,GDB ChEMBL
35682,CCC1NC(=NC)NC(=O)C1(C)OS(N)(=O)=O,0,GDB ChEMBL
362233,CCCC(=O)C(=O)C(=O)NC(N)=O,1,GDB ChEMBL
207710,CCC1COC(C)C(CC(C)C)CC1C,0,GDB ChEMBL
361788,CC[NH2+]C1CC2CCCC(C)C2C1C,0,GDB ChEMBL
4874,CNC1C(C(=O)[O-])C1([NH2+]C)C(=O)[O-],0,GDB ChEMBL
80256,N=C1NS(=O)(=O)CN1CCC(N)=O,1,GDB ChEMBL
57248,C=CCc1c(O)cc(Br)c(N)c1O,1,GDB ChEMBL
63127,CC(=O)OCC1[NH+]=C(N)NC(C(O)C[NH3+])C1N,0,GDB ChEMBL
285751,CCC1NC1c1cc(F)cc(CC[NH3+])c1,0,GDB ChEMBL
177190,CCC(O)c1ccc([O-])c(=O)[nH]1,0,GDB ChEMBL
156482,CC1CC([NH3+])CCC(=O)OCCOC1C,0,GDB ChEMBL
294776,CC1NC(=O)NC1C(CO)C([NH3+])CO,0,GDB ChEMBL
374157,Cc1c(F)cnc(N)c1C(O)(C#N)C(O)C[NH3+],0,GDB ChEMBL
286329,NC(=O)C1COC2C(=NC(C(=O)[O-])C2O)N1,0,GDB ChEMBL
20542,CN(C(N)=O)C(=O)C(N)C1CCO1,1,GDB ChEMBL
118446,[NH3+]CCOCc1cncnc1I,0,GDB ChEMBL
71701,CCCC1C(C)CC(C[NH3+])CC2CC(C)CC21,0,GDB ChEMBL
87122,C#CC(N)C(=O)OCC(C)C(C)O,1,GDB ChEMBL
71409,OCC1CC2CCC1CC2,1,GDB ChEMBL
111493,C#Cc1cc(O)nccc(O)c(C#C)cc1C,0,GDB ChEMBL
153282,CCC1CC(C)(OC)C(=O)C(O)C[NH2+]1,0,GDB ChEMBL
235672,CC1=CCCOCCC[NH2+]CC2(O)CC1C2,0,GDB ChEMBL
318743,Cc1nc(F)c(F)c(F)c1C[NH+](C)CC(C)C,0,GDB ChEMBL
159862,CCC(C=C(C)CO)C1([NH2+]C)CC1,0,GDB ChEMBL
70771,[NH3+]C(CN1C(=O)OC2C(O)C21)C(=O)[O-],1,GDB ChEMBL
277584,CC(=O)C1CNS(=O)(=O)CC(C(N)=O)N1,0,GDB ChEMBL
298957,O=C1NC2CC23CCCN13,0,GDB ChEMBL
42223,CC1OC(=O)N(C)C1C1CCN1C=O,0,GDB ChEMBL
69581,C[NH2+]CC1C2CC(O)C(CO)(C2)N1C,0,GDB ChEMBL
34990,CC1OCC2([NH3+])C(C(O)CCO)C12,0,GDB ChEMBL
370334,Nc1c[nH]c(Oc2ccc(Cl)c(CC[NH3+])c2)c1,0,GDB ChEMBL
307924,COC(=O)CNCC(N)=[NH+]C(CO)C(N)C[NH3+],0,GDB ChEMBL
9922,CCC1CN2C3CCOC(C3)C(=O)C2C[NH2+]1,0,GDB ChEMBL
34826,CC(N=C1NS(=O)(=O)CC1C#N)C(=O)[O-],0,GDB ChEMBL
239089,C#CC1C(C)[NH+]=C(NCC)C1(CC)CCOC,0,GDB ChEMBL
246436,[NH3+]C12CNC(=O)NC(C1)C2(O)C(=O)[O-],0,GDB ChEMBL
76503,O=C1NCS(=O)(=O)CNC1CC[NH2+]CCO,0,GDB ChEMBL
339261,CC12CCCC(CO)N1C2C#N,0,GDB ChEMBL
372114,CC1C2C(=O)NC(C[NH3+])C(O)CS(=O)(=O)N12,0,GDB ChEMBL
99599,CN1C(=O)C2=C(C[NH2+]C2)C1=O,0,GDB ChEMBL
235681,[NH3+]CCC(C[NH3+])C1CO1,0,GDB ChEMBL
17491,COC(=O)C(C(N)=O)(C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
184090,C#CC(O)CC1(C[NH+]=C(N)N)CC1,0,GDB ChEMBL
359123,CCCC1(C)CCC(CCO)CC(C)CC1C,0,GDB ChEMBL
117446,CCCCC(C)(C)C1CC(C)C2CC(C)C1C2,0,GDB ChEMBL
378244,Cc1nonc1OCCCOC(N)=[NH+]CCO,0,GDB ChEMBL
341850,COC(=O)C12NC1C1CC2C(=O)N1,0,GDB ChEMBL
127650,CC(C)CC([NH3+])c1ncon1,0,GDB ChEMBL
254896,CCCC(C)(O)C(C)C1(C)CC2CCC1CC2,0,GDB ChEMBL
61650,N#CC1CN=CNC(=O)CC(=O)O1,1,GDB ChEMBL
380349,CC1C(=O)NC(=O)OCC1C(C(=O)[O-])[NH+](C)C,0,GDB ChEMBL
33322,CC1C=CC([NH3+])CC1CC#N,0,GDB ChEMBL
358203,C#CC1([NH2+]C)C2NC(=O)NC1C2CC,0,GDB ChEMBL
320439,CCC1C2C=CC(C)(C2)OC1C(F)(F)F,0,GDB ChEMBL
102133,CNc1cc(OC(C)=O)c(C=O)cc1Br,1,GDB ChEMBL
61995,Cc1nc2[nH]ccc2nc1N,1,GDB ChEMBL
11389,C[NH+]=C(NC1CCC1)C(C)C,1,GDB ChEMBL
369833,N#CC1NC(=[NH2+])CC1OCC(CC[NH3+])NC=O,0,GDB ChEMBL
77718,C#CCCC1CCCc2cc(I)ccc21,1,GDB ChEMBL
366551,CC(O)C1C(N)=[NH+]CC(O)C1C(=O)[O-],0,GDB ChEMBL
392774,CN1C(=O)OC2C(O)CC(O)C(C(N)=O)C21,0,GDB ChEMBL
70874,CC([NH3+])C([NH3+])CC(C)C(C)[NH2+]C(CN)CO,0,GDB ChEMBL
322968,CC1NS(=O)(=O)C(=N)N(CC[NH3+])C1=O,0,GDB ChEMBL
61519,C#CC12CCCC(=O)NCCC1(C)N2C,0,GDB ChEMBL
114424,CCCC12CC(C1)C(OC)C2[NH3+],0,GDB ChEMBL
334369,CC1(C)C2C[NH+]3CC(O)C(O)C3C1CCC2O,0,GDB ChEMBL
38521,COC(CS(=O)(=O)[O-])C1(C(=O)[O-])CO1,0,GDB ChEMBL
243937,CNC(=[NH2+])C(=[NH2+])NC(C)CC(N)=O,0,GDB ChEMBL
379889,CN1CCC2(C)NC(=O)NC2(CO)C1C#N,0,GDB ChEMBL
271339,COC12CC(C=O)[NH2+]C1C2CO,0,GDB ChEMBL
5278,CCCc1c(O)c(CC)cc(Cl)c1CCCO,1,GDB ChEMBL
31067,COCCC(NCc1nc(C#N)cs1)C(C)=O,1,GDB ChEMBL
12731,CN1C(=O)C2OC3CC1C2C3[NH3+],0,GDB ChEMBL
363218,CC1=CC[NH+]2CC(C)C[NH2+]CCC2(C)C1,0,GDB ChEMBL
73849,C[NH2+]C1C(=O)CC(=NO)C1OC,0,GDB ChEMBL
43914,CC(=O)C1C(=N)OCCC1O,1,GDB ChEMBL
227800,NC1C=CCCC[NH2+]C1CO,0,GDB ChEMBL
156795,CC1C2C[NH2+]C(C(=O)[N-]S1(=O)=O)C2O,0,GDB ChEMBL
242645,COC(=O)NC(C)(C#N)Cc1ccns1,1,GDB ChEMBL
177271,CCC1C2CCC(OC)C1C(O)C2,1,GDB ChEMBL
312192,C#Cc1c[nH]c(=O)n1CCCC#N,1,GDB ChEMBL
65570,CCC(C)C1CCCC(=O)C(C)(CC)[NH+](C)C1,0,GDB ChEMBL
333124,CNC(=O)C(C[NH3+])N1C=CCS1(=O)=O,0,GDB ChEMBL
32007,CC1=CCC2(C)C(C)CC1C2(C)CC(C)C,0,GDB ChEMBL
181583,CN=C1CC(O)(CCC(C)[NH+](C)C(C)C)CO1,0,GDB ChEMBL
153322,NC(=O)C1CC(N)=[NH+]CC1=O,0,GDB ChEMBL
76693,C#CC(C)c1cc(O)c(C)c(CC)c1F,0,GDB ChEMBL
378929,O=C1NCCC12C1OCCS(=O)(=O)C12,0,GDB ChEMBL
251855,CCCc1cc(C2=CCCC2)cc(Br)c1C,1,GDB ChEMBL
365760,CC1C=CC2CC[NH+]1CC2O,0,GDB ChEMBL
360976,Cn1ncc(N)c1N1CCC(CNC=O)C1,1,GDB ChEMBL
273669,CN1CC(OC(=O)NC=NCCCO)C1=O,0,GDB ChEMBL
240006,Cc1ccc2c(c1F)OCC(C1CCC1)=C2,1,GDB ChEMBL
111520,N=C(N)NC(=O)C1CCOC1=N,1,GDB ChEMBL
9698,CCC(C)C(C)C1CCCCC1OC(C)C[NH3+],0,GDB ChEMBL
151695,CCC1(C)C(C)OC2CCC(C)C21,0,GDB ChEMBL
115001,CC1CCC(C2(C#N)CC2C(C)C)CC1,0,GDB ChEMBL
240041,CCCC(C)CC1CC(C)C2C1C2(C)C,1,GDB ChEMBL
143190,COc1cc([N+](=O)[O-])cc(C#N)n1,1,GDB ChEMBL
148366,CC1NC(=O)C2CC3OCC4C2C134,0,GDB ChEMBL
200981,O=COC1CC[NH2+]C2CCCCCC1NC2=O,0,GDB ChEMBL
228804,C#CC(C)CCC(C)(CCC)CCCC,0,GDB ChEMBL
165202,C#CC(C)(Cc1cc(F)cc(CC)c1)C(C)C,1,GDB ChEMBL
149972,CCC1(COC)CCCCC[NH+](CC(C)C)C1,0,GDB ChEMBL
396124,CC(=O)NCC(C1CC1C)[NH+](C)C,0,GDB ChEMBL
108723,c1cn(C2CC[NH2+]C2)cn1,0,GDB ChEMBL
307911,CCC12CC3C([NH2+]C)C1CCN3C2,0,GDB ChEMBL
236605,COC1(CC2CC2)CC(C)(C)C1,1,GDB ChEMBL
339033,C#CCC1=NCCC(C[NH+](C)CC(C)O)O1,0,GDB ChEMBL
382143,O=C([O-])C1CC2CS(=O)(=O)C1N2,0,GDB ChEMBL
151775,C#CC1CC(=O)C(C[NH2+]C)NC(CC)C(=O)O1,0,GDB ChEMBL
350317,CCc1nc2c(cc1O)CNC(=O)N2,1,GDB ChEMBL
234935,CCC(C1CCC[NH2+]C1)C1CC2CCC1CC2,0,GDB ChEMBL
21696,CNC1C([NH3+])CC(N)C1(C#N)NS(C)(=O)=O,0,GDB ChEMBL
127020,CC1C2C3OC3(C)C1C[NH+]2CCO,0,GDB ChEMBL
263254,C=CCC([NH3+])C1OC1CNC(N)=O,0,GDB ChEMBL
87483,CC1CCOCC(CNC(C#N)CO)C(C)O1,0,GDB ChEMBL
284360,C#CC1C(C)=CCC1(C)CO,0,GDB ChEMBL
352220,CCCC(=O)C(CC=O)CC(C)O,1,GDB ChEMBL
89638,CC[NH2+]C1(C2CCCC2)CC=CC1,0,GDB ChEMBL
37109,[NH3+]CC1CC2CCC3C2[NH+]3CCCO1,0,GDB ChEMBL
273969,CC1OCCNCC(=O)OC2C[NH2+]C12,0,GDB ChEMBL
275501,C=CCC1CCOC(=O)N1CC#N,1,GDB ChEMBL
82131,N#CCN1CCS(=O)(=O)NC=C(C=O)C1=O,0,GDB ChEMBL
135446,CCC1=CC(C)([NH3+])CCCCCOC1,0,GDB ChEMBL
11031,CC(C)CC1CCC2(O)CC([NH3+])(C1)C2,0,GDB ChEMBL
85689,CC1N(C)C(=Nc2cccc(Cl)n2)OC1(C)C,1,GDB ChEMBL
273683,N=c1snc(O)n1CC(=O)NCCCO,1,GDB ChEMBL
54079,O=C1NC(CO)C2C([N-]S2(=O)=O)c2occc21,0,GDB ChEMBL
208428,CCC(C(CO)OC)C1([NH2+]C)C(C)CCC1O,0,GDB ChEMBL
252891,O=C1Nc2cnc(O)nc(O)ncc(n2)N1,0,GDB ChEMBL
374376,COCC(N)=[NH+]CCn1ccnc1CO,0,GDB ChEMBL
292563,CCN=C1OC(=O)C(C)CC1([NH3+])COC,0,GDB ChEMBL
233464,[NH3+]C1CCOC(=O)CNS(=O)(=O)CC1,0,GDB ChEMBL
109759,[NH3+]C1C(O)C(O)C([NH3+])C1C1C[NH2+]C1,0,GDB ChEMBL
42619,C#CCC1CCCC(CC)C[NH+]1C1CCC1,0,GDB ChEMBL
255964,CCCCc1cncnc1COC(C)C,1,GDB ChEMBL
299568,C1#Cc2ccc3cc[nH]c3c2CC=CC=C1,1,GDB ChEMBL
209485,CCOc1cc(Cl)c2c(c1)CC1(C)C[NH2+]CC21,0,GDB ChEMBL
387222,CN1CC2[NH2+]C3CC2CC([NH3+])C31,0,GDB ChEMBL
271346,CCC1C=CC(OC)CC(C)C2CC12,0,GDB ChEMBL
221134,CC#CC1CC1(O)CC(C)CCCCO,0,GDB ChEMBL
344320,Cc1ncc2c(c1F)OCO2,1,GDB ChEMBL
104965,C#CCCCC1(C)CC(C)CCC(C)C1,1,GDB ChEMBL
203635,CC(C)c1ccc(Cl)c2c1CCC2(C)[NH3+],0,GDB ChEMBL
140098,Cc1cc(I)cc2c1C(Cc1ccoc1)CC2,1,GDB ChEMBL
300138,CC1=CC2C(C)CC(C)(C)C2CCOC1,0,GDB ChEMBL
324286,C#CC(C)C(COCC)OC,1,GDB ChEMBL
362003,Cc1ccc2c(c1C(C)C)C=CCC2,1,GDB ChEMBL
102342,Cc1cccc(Cc2oc(N)nc2N)c1,1,GDB ChEMBL
247600,CCOC1C2CC(C)(O)C([NH3+])C21NC,0,GDB ChEMBL
40355,CCc1cccocc2c(c1N)CC(C)(C)O2,0,GDB ChEMBL
294796,Cc1ccc(Cl)c2c1C1N(C)C2C1(C)C,0,GDB ChEMBL
344330,CC1C=C2CC([NH+](C)CC1C)C(C)(C#N)C2,0,GDB ChEMBL
234228,COCCOC1C2CC1C2,1,GDB ChEMBL
216202,CCC1NC(=N)NC(=O)C(=N)NC1=O,1,GDB ChEMBL
251076,CCC1CCCC12COC2,1,GDB ChEMBL
85662,Cc1ccc(Cc2c(C)csc2C)c(Cl)c1O,1,GDB ChEMBL
112791,COc1nc(C(=O)NCCC(=O)[O-])n[n-]1,0,GDB ChEMBL
124499,CCCC1C=CC(=O)NC(=O)C1,1,GDB ChEMBL
185972,O=C1NC=NC(C2CC2C(=O)[O-])CN1,0,GDB ChEMBL
394338,CC(C)C1CC2CCC1C(C)[NH2+]2,0,GDB ChEMBL
55551,CC([NH3+])CCc1cc(Br)cnc1C1CC1,0,GDB ChEMBL
300565,[NH3+]CCC(O)CC([NH3+])CS(=O)(=O)[O-],0,GDB ChEMBL
93718,C#CCC1C=CC(CC(O)CC(C)OC)C1,1,GDB ChEMBL
97131,[NH3+]C1C(O)C2NC(=O)C3NS(=O)(=O)C1C32,0,GDB ChEMBL
278870,CCCCC([NH3+])C(O)c1ccoc(=O)c1,0,GDB ChEMBL
350653,CCc1nc(F)c(C)cc1F,1,GDB ChEMBL
198669,CCCCC1(C=O)CCN(C(=O)NC)C(=N)C1,1,GDB ChEMBL
330553,CC(=O)CNC1=[NH+]CCC(C)(C(=O)[O-])N1,0,GDB ChEMBL
294747,CCCC1CC(C)C(C)C(CC(CC)CC)C1,0,GDB ChEMBL
181648,CC1CC(C2CCOC2=O)C([NH3+])C1[NH3+],0,GDB ChEMBL
147899,Cc1cc(COC(C)C#N)c(Br)cn1,1,GDB ChEMBL
348582,NC(=[NH2+])NC(CO)C(O)CNC=[NH2+],0,GDB ChEMBL
314147,CC1(NC(=O)C(N)=O)CCC(C[NH3+])OC1,0,GDB ChEMBL
358540,CNC(=O)C1NS(=O)(=O)CNC1C(C)O,0,GDB ChEMBL
126863,COC1C2OC(=O)N(C)C12,1,GDB ChEMBL
35339,CC([NH3+])C1C(CO)C2CNC1(C#N)C2,0,GDB ChEMBL
311657,O=C(CCS(=O)(=O)[O-])n1ccnc1O,0,GDB ChEMBL
358813,CC1OC(=O)C1NC(=O)c1nonc1N,1,GDB ChEMBL
386560,CCC1CC(C)C2(C)CCCC(C)C2C1,0,GDB ChEMBL
333113,C[NH2+]CC#CC([NH3+])C(CCO)CS(=O)(=O)[O-],0,GDB ChEMBL
128294,O=C1CCCN(Cc2cccs2)C1,1,GDB ChEMBL
372585,CCc1ccc(Cl)nc1C[NH3+],1,GDB ChEMBL
34392,COC1OC(=O)C(C[NH3+])N(C)C1=O,1,GDB ChEMBL
334729,Nc1ncc(CC(F)(F)F)c(CO)n1,1,GDB ChEMBL
274129,CC1C(NC(=N)NC=O)=[NH+]CC1NC(=O)CO,0,GDB ChEMBL
259363,COCC(C)C1([NH3+])CC(O)C(=N)NC1=O,0,GDB ChEMBL
159852,CC12CNC(C[NH3+])C(C1)OC(=O)N(C=O)C2=O,0,GDB ChEMBL
17278,C#CC1(C)CCC(C[NH2+]C)c2ccccc2C1,0,GDB ChEMBL
70848,CC1(C)OC2CC3CC1C2(C)C3,0,GDB ChEMBL
3966,CCOC1CCCC1CC(C)(O)C(C#N)C[NH3+],0,GDB ChEMBL
148889,COC(=O)N1CC1(C[NH3+])C([NH3+])C(C)(C)O,0,GDB ChEMBL
102119,CC=Cc1ccccc1C(C)CC,1,GDB ChEMBL
200986,N#CC(CO)C(O)C(O)CCC=O,0,GDB ChEMBL
204304,CC1CCC2COCC(C)C1C2,0,GDB ChEMBL
368526,C[NH2+]C1(CS(N)(=O)=O)CC1C(C)OCC[NH3+],0,GDB ChEMBL
29814,[NH3+]C1CC2(O)CC(C(=O)[O-])C1C2O,1,GDB ChEMBL
307531,C#CC1NC2COCC[NH+](C)C1CC1OC21,0,GDB ChEMBL
106625,CCC1N2CC(C)c3cccc(Br)c3C12C,0,GDB ChEMBL
348642,COCC1CCC[NH+]=C(C)NC(C)(C)CCC1,0,GDB ChEMBL
226239,C#CCC(CO)(C[NH2+]C)NC(=O)C(C)OCC,0,GDB ChEMBL
184510,CN1C(=N)C(C[NH3+])CC(C)(C#N)C1=O,0,GDB ChEMBL
389457,C#CC1(C(C)=O)CC(CC(N)=O)CC1=O,0,GDB ChEMBL
188507,O=C([O-])CC1C2COC(=O)CC(O)C1OC2=O,0,GDB ChEMBL
350254,CC(NC(N)=O)C1CC(C(N)C(N)=O)[NH+]=C1N,0,GDB ChEMBL
108150,CC1=C(CC(C)O)CC=CC[NH2+]CCCC1,0,GDB ChEMBL
104643,Clc1ccc(CCCC2CCCO2)nc1,1,GDB ChEMBL
369894,COCC1C=CC(O)CC(C)(C)C(C)C=C1,0,GDB ChEMBL
217018,CCCn1c(N)[nH+]c(N)c1NC,0,GDB ChEMBL
291914,CC[NH+](C)C12C=CCC(CC1)C2,0,GDB ChEMBL
184065,N#CC(CC(=O)[O-])OCC[NH3+],0,GDB ChEMBL
318134,CC#CC(CCC)N=CNC(=[NH2+])NCC,0,GDB ChEMBL
353596,CCOCC(C[NH2+]C(C)CC[NH3+])NC=O,0,GDB ChEMBL
23573,CC[NH+](C)CCCC(C)C1(O)CNC(C#N)C1,0,GDB ChEMBL
308244,CC1CC(C)C(C)[NH+](C)CC(C(C)[NH3+])C1,0,GDB ChEMBL
23633,C[NH2+]C1C2=CCCC(C)[NH+](C)C(CC2)C1O,0,GDB ChEMBL
19641,C#CC(CC)[NH2+]CCC=O,0,GDB ChEMBL
204508,CNC(N)=[NH+]C1C(=O)NCC([NH3+])C(CO)C1O,0,GDB ChEMBL
173833,COc1nc(Cl)cc2c1C(=N)OC2,1,GDB ChEMBL
309166,CN(CC(O)CO)C(=O)NC(=N)C[NH3+],0,GDB ChEMBL
227265,CN1CC(=O)C2(CO)CC(CNC1=[NH2+])C2,0,GDB ChEMBL
177265,CC#CCC1CC(C)c2cc(CC)ncc21,0,GDB ChEMBL
26455,C[NH2+]C(CC(C)NC=O)CC1(C)[NH2+]CCC1O,0,GDB ChEMBL
202051,CC[NH2+]C1CC(C)COC1(C)C,0,GDB ChEMBL
394267,CCC1C[NH+]2C(C)C1CC2C1CCC1,0,GDB ChEMBL
147368,CC(C)OCC(C[NH3+])C(C)(C)C[NH3+],0,GDB ChEMBL
9714,[NH2+]=C1CCC(C[NH3+])CN1C1CC(O)C1,0,GDB ChEMBL
117408,CCC1(C)CC(C)C(C)=CCO1,1,GDB ChEMBL
184085,C#CCCCC1(C)CC(C)C2CCCC1C2C,0,GDB ChEMBL
294765,CNC(=O)C#Cc1ncsc1C#N,1,GDB ChEMBL
127751,CC1CC2CCC(C2)C(=O)C1C1CCCCC1,0,GDB ChEMBL
280010,N#Cc1c([O-])oc2cc(F)cc([O-])c12,0,GDB ChEMBL
93412,COCC12C(C)[NH2+]CCS(=O)(=O)NC1C2O,0,GDB ChEMBL
338581,COC1CC2CC(C2)[NH+]2CCC1CC2,0,GDB ChEMBL
40421,CC(O)C1C2CCCC(C=O)[NH2+]C21,0,GDB ChEMBL
191285,C#CC(C)CCOCCC,1,GDB ChEMBL
153284,C=CC[NH+](C)C1C2C3CCC21CO3,0,GDB ChEMBL
92839,C#CC1([NH2+]CCCC)C(C)C1C,0,GDB ChEMBL
173958,CCN=C1CC(CCO)CO1,0,GDB ChEMBL
392289,CCc1c(C[NH3+])ccc2c1CC(C)C(C)(C)C2,0,GDB ChEMBL
349499,[NH3+]CCC#Cc1ccccscnc1,0,GDB ChEMBL
334422,[O-]c1c([NH+]=C2CCN2)ccc(F)c1F,0,GDB ChEMBL
180803,C#CC1(C=O)C(OC)C(CC)C(C)CN1CC,0,GDB ChEMBL
169373,CC(=O)CN1CC[NH+](C)CC2CC21,0,GDB ChEMBL
177141,CCCOC1C(O)C1(CO)CC(=O)OC,0,GDB ChEMBL
164666,CCC(C)n1ccc2c1CC(C(C)C)CC2C,0,GDB ChEMBL
133987,C=CC(=O)N1C2Cc3ncsc3C21,0,GDB ChEMBL
381445,CC(=O)NCCS(=O)(=O)NCCOC(N)=[NH2+],0,GDB ChEMBL
188496,CC1[NH2+]CCC2C3CCC(C)(C3)C12,0,GDB ChEMBL
296659,CC1CCC[NH+]2CC(C(N)C#N)(C1)C2,0,GDB ChEMBL
80452,COC(=O)C1OC1CNC(N)=O,1,GDB ChEMBL
50968,N#CC(N)(CCO)c1cc(N)nc(O)c1,0,GDB ChEMBL
38933,CN1CC12COC(=O)C(C(O)C[NH3+])C2,0,GDB ChEMBL
75041,CCC1C2CCC(C2)C1C(O)C(N)=O,1,GDB ChEMBL
267898,COC(C#N)C(N)=NC(C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
294196,CC1C2CC3C(O)C[NH+]1C3CN2,0,GDB ChEMBL
254229,CC1=CCC(O)CC(C)(CC(C)C)C1,0,GDB ChEMBL
243904,CC1C2(CC#N)CCCC12C(=O)[O-],0,GDB ChEMBL
152631,C[NH2+]C1CC2C[NH+](C(C)C)CC21,0,GDB ChEMBL
37117,CCCC1CC=CC(C)OCC2CC12,0,GDB ChEMBL
386613,N#CC(N)C(NCC(=O)[O-])C1(C(N)=[NH2+])CO1,0,GDB ChEMBL
20491,CCCCCC1CC12C[NH2+]C2,0,GDB ChEMBL
254885,CCC(C)(C[NH3+])C1C=CC(C)C1,0,GDB ChEMBL
273859,CCCC(C)(C)C(C)C1C(C)CCCCC1C,0,GDB ChEMBL
325886,CCC1OCC1(C[NH3+])N(CC)S(C)(=O)=O,0,GDB ChEMBL
140118,CC1CCC2(C)OC2CCC1[NH3+],0,GDB ChEMBL
228902,CC(O)C(C(N)=[NH2+])N(C)C(C)C#N,0,GDB ChEMBL
250600,CC(=O)CC1CC=C(C)C[NH+]1C,0,GDB ChEMBL
37335,CC(C)Nc1cc(C#N)cs1,1,GDB ChEMBL
382584,CC1=CCC2(CC2)CC1CCCC(F)(F)F,0,GDB ChEMBL
93105,CCNS(=O)(=O)C(=O)CC(=O)NC,0,GDB ChEMBL
200758,CC1=CCC(C)(C)C=CC(O)C[NH+](C)C1,0,GDB ChEMBL
134476,CNS(=O)(=O)CC(N)(C#N)C1COC1,0,GDB ChEMBL
195375,CC(C)CC1C[NH+](C)C2(C)CC12,0,GDB ChEMBL
103475,C#CC1(c2csc(NCC)n2)CCC(C[NH3+])O1,0,GDB ChEMBL
61972,CC(CNS(C)(=O)=O)=NO,1,GDB ChEMBL
116596,CC1(C)CCCOCC2(CCCC2)CC1,1,GDB ChEMBL
305530,C#CC1C2C(O)C2C(C(=O)[O-])[NH+]1CC,0,GDB ChEMBL
304886,O=C([O-])C1N=C2NCC2NC1=O,0,GDB ChEMBL
239964,C#Cc1cc(C)c(Cl)c(CCCC)c1C,1,GDB ChEMBL
198674,CC1CC2(O)C[NH+]1C(C(O)CO)C2O,0,GDB ChEMBL
87705,[NH2+]=C1CC(CCO)CC(C=O)N1,0,GDB ChEMBL
201693,CN1C(=O)NCC(C)(C)C1=O,1,GDB ChEMBL
202054,COC(=O)C#CCCC(C)C,1,GDB ChEMBL
101940,CCN(C=O)C1(C=O)CC[NH2+]CC1,1,GDB ChEMBL
147556,CC=C(C)CCC=CC1CCCC1,1,GDB ChEMBL
386439,C[NH+]=c1[nH]ccc(F)c1C(C)C,1,GDB ChEMBL
328893,CC1(C)CCCC1C1C=CCC=CC1,0,GDB ChEMBL
167294,CC(C)[NH+]1CC(C)(C#N)CCCOCC1CO,0,GDB ChEMBL
317355,CCN1CCCC2(C)C(C)C2N(C)C1=O,0,GDB ChEMBL
47690,COC(=O)[C-](C#N)C(O)C(N)C1=[NH+]CCN1,0,GDB ChEMBL
253602,C[NH2+]CC(N)C1OC(CC(O)CO)C1[NH3+],0,GDB ChEMBL
354618,CC1C[NH+](C(C)C2(C)COC(C)CC2C)C1,0,GDB ChEMBL
78303,CCC1CC(C(C[NH3+])CO)OC1C#N,0,GDB ChEMBL
195289,C#CCC1CC2CC1[NH2+]C(CC#N)C2OCC,0,GDB ChEMBL
174702,CC1=CC(=O)[C-](C=O)C(=O)N(C)C1,0,GDB ChEMBL
259372,C[NH2+]C1C2N=C(N)OC21C(=O)[O-],0,GDB ChEMBL
34237,CC(CC1CS(=O)(=O)CCC2(CC2)CN1)=NO,0,GDB ChEMBL
300907,NC(C[NH3+])C1=C(C(=O)[O-])CC(=O)N1,0,GDB ChEMBL
36148,C#Cc1c(Br)cc(CC)cc1CCC,1,GDB ChEMBL
10574,Cc1cc2c(cc1Cl)C1C(C)C1(C)C2C,0,GDB ChEMBL
320797,CC1=C(C)CC(CC2CCC2)(C(N)=O)C1,1,GDB ChEMBL
348657,CCC1(CC)COC2C(C1)[NH2+]CC2(C)C,0,GDB ChEMBL
280490,CC1CCC2(C)C(C)C[NH2+]C(C)(C)C2C1,0,GDB ChEMBL
98628,C=CC(=NO)C(NC)C(C#N)C(=O)[O-],0,GDB ChEMBL
6103,CCCC1C2CC(OC)C(C)=CC12C,0,GDB ChEMBL
362023,C#CC1N(CC)C(=O)C(CO)C2NC21CC,0,GDB ChEMBL
170259,C[NH+]1CCC2(CC1)CN(C=O)C2,0,GDB ChEMBL
4930,CC1CC2CCCC3[NH2+]CC1C3N2,0,GDB ChEMBL
45943,NC1=NC2COC(=O)C(O1)C2O,0,GDB ChEMBL
143131,CC(=O)NC(N)=NCC(C)C(C)O,1,GDB ChEMBL
185935,CC1NCC(N)(C[NH3+])CN(C)C(=O)NC1=O,0,GDB ChEMBL
340542,C#CC(OC)C1(N)C[NH2+]C(C)C1C(C)O,0,GDB ChEMBL
91224,O=CCNC(C=O)CC1CCC1,1,GDB ChEMBL
300224,C#CCC(C#C)c1ccc(Cl)cc1,1,GDB ChEMBL
34273,CCC1C2CCC3C2C3C1C[NH+](C)C,0,GDB ChEMBL
378888,CC1CC2C(O)C3CCC2[NH+](C1)C3,0,GDB ChEMBL
358500,N=C1NC2CC(C(O)CO)(O1)C(C[NH3+])NC2=O,0,GDB ChEMBL
9919,CC=CC=Cc1ccc(F)cc1C,1,GDB ChEMBL
169046,C#CC1(O)CC2CC(O)CC1C(N)C[NH2+]2,0,GDB ChEMBL
107022,NC(N)=[NH+]c1ncnc(CO)c1[O-],0,GDB ChEMBL
79496,CCC(C)(C)C1CC[NH2+]CCC(C)(O)CC[NH2+]1,0,GDB ChEMBL
127896,C[NH2+]C1CCC(=NCCS(N)(=O)=O)OC1,0,GDB ChEMBL
81750,CCC(O)C1=CC(C(C)O)NC(=O)C1[NH3+],0,GDB ChEMBL
242965,CCOc1cc(F)cc(-c2ccc(C)s2)c1C,1,GDB ChEMBL
48195,C#CCN=C1OCC2(C)C(O)CC(O)C12,0,GDB ChEMBL
150134,CN1C(=O)C2C3C(C=CCC(O)C[NH+]2C)C31,0,GDB ChEMBL
195269,CCCC(=O)N(C)C(C)(C)C(C)O,1,GDB ChEMBL
161106,NC(=O)C1CC2CC(C[NH2+]1)C(=NO)C1CC1C2,0,GDB ChEMBL
312241,O=C([O-])C1C2C(CO)CS(=O)(=O)N12,0,GDB ChEMBL
84248,CCC1CC(O)CN(C=O)C1C(N)=O,0,GDB ChEMBL
100745,C#CC(C#C)C1NC2C[NH+](CCCC1[NH3+])C2,0,GDB ChEMBL
358285,C[NH2+]CC(C)(O)C(C)[NH3+],0,GDB ChEMBL
293808,C#CC(C)(CO)CCCCCC(F)(F)F,0,GDB ChEMBL
31361,CC([NH3+])CN(C=O)C(=N)NCC[NH+](C)C,0,GDB ChEMBL
206983,CCCC1CC(C)C(C(CC)NCCO)[NH2+]1,0,GDB ChEMBL
276061,[NH3+]C1C2CC(=O)OCC(=NCCC1C(=O)[O-])O2,0,GDB ChEMBL
134756,CC1NCc2nc(C#N)c(Br)nc2CNC1=O,1,GDB ChEMBL
169460,CC1C(C)C1C1(C)C(=O)NC2CC[NH+]1CC2,0,GDB ChEMBL
337402,CCN1C(C[NH3+])C1(CC)CCC(C)(C)C,0,GDB ChEMBL
358592,CCCC1=CC(CCO)CC1C,1,GDB ChEMBL
240466,[NH2+]=C1CC(O)C([NH3+])C(C(O)CO)OC(=O)CN1,0,GDB ChEMBL
215852,O=CC1C(=O)OC2C(O)C[NH2+]C12,0,GDB ChEMBL
355836,CCC[NH2+]CC(CC)N(C)c1snc([O-])c1C,0,GDB ChEMBL
169385,Cc1ccc2cc1C=CC#CCC(C)C2,1,GDB ChEMBL
3034,NC(=[NH2+])N1CC(=O)NC(=O)C1=NCCO,0,GDB ChEMBL
11701,C#CC1CC(O)c2c(Br)c(O)cc(C)c21,0,GDB ChEMBL
339286,CC(C)CC1(C)CCC[NH+]1CCO,0,GDB ChEMBL
230748,Cc1c(C=O)cccc1NC1(C)CC1,1,GDB ChEMBL
278860,C[NH2+]C1CC1c1[nH]c(=O)c(CO)c(C)c1N,0,GDB ChEMBL
21541,NC(=[NH2+])NC1=CC=CC[NH2+]CC[NH2+]CCC1,0,GDB ChEMBL
228286,C#CC(C#C)CCC(=O)CCC(C)C,0,GDB ChEMBL
11022,CC1OCC(CCC#N)[NH2+]CCC(CO)C1[NH3+],0,GDB ChEMBL
336008,C=CC(C)(C)CCCCCOCC,1,GDB ChEMBL
208294,NS(=O)(=O)OCC1OC2CC[NH2+]C1C2,0,GDB ChEMBL
186032,CC(C)COCCC1C=CC2CC[NH+]12,0,GDB ChEMBL
355788,NC(=O)N(C=NCC1CC1)CC(=O)[O-],1,GDB ChEMBL
84528,CN=C1NC(C#N)(CO)C1NC(C)=O,0,GDB ChEMBL
344276,CC1CCC2OC(CC(=O)N1)C1CC21,0,GDB ChEMBL
391635,CCC(=O)OCC(O)C1CN=C(C(=O)C=O)N1,0,GDB ChEMBL
136455,N=C(N)NC(=O)c1cc(=O)oc([O-])c1N,0,GDB ChEMBL
64096,NC1(C[NH3+])C(CO)NCC([NH3+])C1C(=O)[O-],0,GDB ChEMBL
223328,Cc1cc(NC2COC(=N)C2)ccc1F,1,GDB ChEMBL
348665,CC1CCCCC=CC=CC1C(C)(C)C,1,GDB ChEMBL
7803,CCC1CC([NH2+]C)CNCCC1OC,0,GDB ChEMBL
32054,c1cc(C2CC3CC3C2)co1,1,GDB ChEMBL
217125,CCNC(N)=[NH+]C,0,GDB ChEMBL
140328,CC1COC(CO)C(O)(C=O)C1,0,GDB ChEMBL
379371,CC[NH2+]C1CCC(O)C2(C)CS(=O)(=O)NC12,0,GDB ChEMBL
221403,CC1CCC2(CC[NH2+]C2)OC1,0,GDB ChEMBL
337411,CCC(C(N)=O)n1nc(NC)c(C(=O)NC)n1,0,GDB ChEMBL
271803,N#CC1OCC2C(CO)NC(=O)C12,0,GDB ChEMBL
64633,CCCOC(C)CC(CCO)CCC(C)C,1,GDB ChEMBL
201364,CC(=O)Oc1cnc(CC2CN2)cc(=O)c1,0,GDB ChEMBL
266248,COCC(C)CC1C[NH+]=C(N)CC(=NO)C1,0,GDB ChEMBL
392506,CCC(=O)Nc1ccc(=N)n(C(C)C)c(=[NH2+])n1,0,GDB ChEMBL
250583,CC1(C)OC12CCS(=O)(=O)NCCC2C(=O)[O-],0,GDB ChEMBL
61761,Fc1cccc(C2CC=CC2)c1,1,GDB ChEMBL
315162,COCCC1(O)CNC(=[NH2+])OCC(C)N=C1N,0,GDB ChEMBL
292578,CCC(C[NH3+])C(COCC(O)C(=O)[O-])C(N)=O,0,GDB ChEMBL
157737,CN1CCC2(CCCC2)C1=O,1,GDB ChEMBL
361792,CCCCCC(C#N)C1(OC)CC(O)CC1=O,0,GDB ChEMBL
340467,CC(CO)C(CC[NH3+])CC1[NH2+]CC1N,0,GDB ChEMBL
201349,C#Cc1cc(CCCO)sc1NCCC[NH2+]C,0,GDB ChEMBL
78289,C#CC1=CCCC(C)C(CC=C)C1,0,GDB ChEMBL
247514,C#CC(C)C1CC1COC(CC)C[NH3+],0,GDB ChEMBL
197233,CN(C)CC(C#N)N=C1C=CC(=O)CCO1,0,GDB ChEMBL
23999,CC1(O)CC(O)C1C(=O)[O-],0,GDB ChEMBL
343989,CCC(CC)CC1CC(C)=CC1(C)C(C)C,1,GDB ChEMBL
277810,CCc1noc(NCC2(C#N)CC2)c1OC,1,GDB ChEMBL
286860,CC(CC(O)C(C)C[NH3+])CN1CC1C#N,0,GDB ChEMBL
169464,C#CCCC(c1ccc(Cl)c(N)c1Cl)C(C)C,0,GDB ChEMBL
66708,C#CC(C)[NH2+]CCC1=CCCC1,0,GDB ChEMBL
240835,NC(=O)CC(O)c1c(F)cc2ccsc2c1F,1,GDB ChEMBL
230386,CC1=CCCCCCC2CCCCC2(C)C1,0,GDB ChEMBL
134748,C#CC(C(C)C)C1(C)OCC(O)CC1COC,0,GDB ChEMBL
239131,CC1(C)OC2C=CC1C2O,0,GDB ChEMBL
375578,CCC1CCC2COC1C1CC([NH3+])CCC21,0,GDB ChEMBL
182280,CS(=O)(=O)NC1(CCO)CC1O,0,GDB ChEMBL
369834,CC[NH+]1C2C=CC1C(C)CC(C#N)C2,0,GDB ChEMBL
353982,C[NH2+]C1CC(O)COC2CC(CCO2)C1,0,GDB ChEMBL
345765,[NH3+]C1C2CN(C=O)C(C(=O)[O-])C12,0,GDB ChEMBL
27940,CN=C1OC(C)CC1C(=O)CCO,0,GDB ChEMBL
70805,[NH3+]C1C2NC(C(=O)[O-])C(O)C(O)C12,0,GDB ChEMBL
167333,CC1=CC(CO)([NH2+]C(C)C)C(C[NH3+])C1C,0,GDB ChEMBL
5859,CCCCCC1(C)CC=C(CC(C)[NH3+])CC1,0,GDB ChEMBL
118434,CCCNc1cc(=O)n2c(n1)OCC2,1,GDB ChEMBL
293848,CNc1nc(Cl)c(NC)c(CC#N)c1C,1,GDB ChEMBL
376029,CCC1CC2=CC(C)CC(C)C2(C)C1,0,GDB ChEMBL
254838,O=C([O-])C(CS(=O)(=O)[O-])C1=[NH+]CCN1,0,GDB ChEMBL
112817,CCC1[NH+]=C(N)N2CCC12C(=O)[O-],0,GDB ChEMBL
272567,CS(=O)(=O)[N-]C(=O)C1C(N)C2[NH2+]CC(O)C21,0,GDB ChEMBL
296080,CNC(=O)c1nc2n(C)c(C)cnc-2c1[O-],0,GDB ChEMBL
252544,CCCCc1csc(C2(O)CCC2)c1C,1,GDB ChEMBL
217156,NC(=O)CC(=O)c1nc(O)cc(O)c1C=O,1,GDB ChEMBL
6105,C#Cc1ccc(C2C3CCC2C3C#C)nc1,0,GDB ChEMBL
179275,CC1C(O)C1c1ccc(I)cc1,1,GDB ChEMBL
387227,CCCCOC(=O)CC1C(C)(C)C1(C)[NH2+]C,0,GDB ChEMBL
149941,CS(=O)(=O)CC1CC(O)C=CCO1,1,GDB ChEMBL
54091,CC12CC([NH3+])CCC[NH2+]CC1C2,0,GDB ChEMBL
344282,COCCC1C=C2CCC2[NH+]1C,0,GDB ChEMBL
48465,CC1CC2C(=O)OCC([NH3+])C2(CO)C1,0,GDB ChEMBL
148826,CC1CN(S(C)(=O)=O)C(C2(C)CC[NH2+]2)CN1,0,GDB ChEMBL
174197,C#CCCC1C2C(C)C[NH+]1C(C)C2C,0,GDB ChEMBL
181672,NC(=O)COC1C2OC(=O)C(N)C12,0,GDB ChEMBL
391496,COC1C2C3C(=O)C4C1C4C32,0,GDB ChEMBL
240366,CN1C(=O)CC=C2C[NH2+]C(CCC3CC31)C2,0,GDB ChEMBL
148733,CC(=O)C12CC(C(F)(F)F)N(C1)C2,1,GDB ChEMBL
235717,CC1CC2OC2(C)C(=O)N(C=O)C(=N)N1,1,GDB ChEMBL
59596,CCC(C)CC(C)([NH3+])C(C)C,1,GDB ChEMBL
280892,CC(C)CCC12C[NH2+]CC1CCC(C)([NH3+])C2,0,GDB ChEMBL
389420,CC#CCCCC(O)C[NH2+]C,0,GDB ChEMBL
274355,CCC(C)C1(C)CCC2CC(C)OC(C)C21,0,GDB ChEMBL
121742,CCC1OC(=O)CC(CS(N)(=O)=O)C1CO,0,GDB ChEMBL
108720,CC1Cc2c(N)ncc(CC(C)(C)[NH3+])c2O1,0,GDB ChEMBL
196471,Cc1c(O)c(O)nn1C,1,GDB ChEMBL
317613,COCC1(C=O)CCOCC(C)C1(C)C,0,GDB ChEMBL
337995,Nc1c(Cl)cnc(Cl)c1N1CCC1,1,GDB ChEMBL
395634,CCOC(=O)C12CCC(C)C1C2S(N)(=O)=O,0,GDB ChEMBL
265259,CC=CC1CC(OC)C(CC)C1C,0,GDB ChEMBL
190358,C[NH2+]CC1(O)CC(C)C[NH2+]C(C)C1C[NH3+],0,GDB ChEMBL
314897,CCCCC(C)C(C)([NH3+])C1CCC(O)C1,0,GDB ChEMBL
289855,C[NH2+]CC(C)C(C[NH3+])N(C)C,0,GDB ChEMBL
178013,CC1OC1C(CC(C=NO)CO)NC(N)=O,0,GDB ChEMBL
286118,C#CC1=CC[NH2+]C(C2CCCC2)C2(CC2)C1,0,GDB ChEMBL
1073,NC(=O)CN1C(=O)NC(C[NH3+])CC12CC2O,0,GDB ChEMBL
367596,CCC([NH3+])C(O)C(N)C1(C(=O)[O-])CNC(N)=[NH+]1,0,GDB ChEMBL
294187,CC#CC(C)(CCOC)CC(C)(C)CC,0,GDB ChEMBL
330370,Nc1nc(N)c2c(n1)OCC(C(=O)[O-])C2,0,GDB ChEMBL
330394,CC(O)C(COCC[NH3+])C1([NH3+])CCC1N,0,GDB ChEMBL
314154,CCC1CC(C(C)O)OC1C,1,GDB ChEMBL
296030,CC1C=CC(C)(C)N2CC(=O)OC1C(O)C2,0,GDB ChEMBL
358917,CC1=CC(C(F)(F)F)CC1,1,GDB ChEMBL
156748,C#CC1CCCC[NH+](C)C1CC,0,GDB ChEMBL
41025,Cc1cccc2c1NCC1OC1CO2,1,GDB ChEMBL
254254,Nc1nc(C(=O)[O-])cn2nncc12,0,GDB ChEMBL
281162,CCCCC(C)(O)C1(C2COC2)CC1,0,GDB ChEMBL
305830,CCOCC1CCC2(C)CCCCC(C)CC12,0,GDB ChEMBL
271016,COC1(CO)C(C#N)C1N(C)C=O,0,GDB ChEMBL
384848,COC1C2[NH2+]CC3CC2OC1C3O,0,GDB ChEMBL
274244,Cc1cc(F)c(C(C)CC(C)(C)C)cc1C,1,GDB ChEMBL
334682,CC(O)C1CC(O)C(O)(C(=O)[O-])C1C(C)O,0,GDB ChEMBL
90318,C#CCC1=CC2C(CC)C1C[NH+]1CCCC21,0,GDB ChEMBL
345413,CNc1nc(N(C)C)ccc1F,1,GDB ChEMBL
391455,C[NH2+]CC1OCCC([NH3+])C1(C)N,0,GDB ChEMBL
198836,NC(=O)C1CC2C(O)COC2C1[NH3+],0,GDB ChEMBL
148728,NC1C2CC(C[NH+]3CCC3)C1(CO)CC[NH2+]2,0,GDB ChEMBL
38497,Cc1cc(O)nc2onc(NCC[NH3+])c12,0,GDB ChEMBL
122896,[NH3+]CCc1cnc2cc(CCO)c(Cl)c(Cl)n12,0,GDB ChEMBL
8688,NC(=O)N1CC(C2COC(=O)N2)C1=O,0,GDB ChEMBL
164709,C[NH2+]CCNCC(=[NH+]CCCO)N1CCC1,0,GDB ChEMBL
40391,CC1=CC2CC1CCCC(CC1CC1)C[NH2+]2,0,GDB ChEMBL
114790,CNC(=O)N1CC=C(c2cccnc2C)C1,1,GDB ChEMBL
227924,CNc1c(O)nc(O)c(C(C)CO)c1Cl,0,GDB ChEMBL
12758,CC(O)C(O)C12CNC(=O)C1O2,0,GDB ChEMBL
111607,C#CCC(CCC)C(C)C1(C)CCCC(C)C1,0,GDB ChEMBL
277726,CN(CC=O)C(C#N)C(=O)[O-],1,GDB ChEMBL
13794,Cc1scnc1C1(C[NH3+])CC1C#N,0,GDB ChEMBL
258276,CC#CC12CN(CCO)C(CCO1)C2[NH2+]C,0,GDB ChEMBL
18846,C1=CCC(CC2CC3CC3C2)CCC1,0,GDB ChEMBL
263806,C#CCC1(C(C)OC)C2C[NH+](CCCO2)C1C,0,GDB ChEMBL
170406,NCC(=O)NC(=O)C(CO)OCCO,1,GDB ChEMBL
214717,O=C1OC(CO)C2(O)CCC12,1,GDB ChEMBL
221960,Fc1cccc(C2CC23C=CCC3)c1F,1,GDB ChEMBL
112074,Cc1cc(I)nc(I)c1NCCCC(F)(F)F,1,GDB ChEMBL
133047,CCC(CC1[NH2+]C1C)c1cccc(Br)c1,0,GDB ChEMBL
131900,CC1OC2OC(C[NH3+])CC1OC(=O)C(O)C2[NH3+],0,GDB ChEMBL
175690,COCC([NH3+])CC1CCCCC1,0,GDB ChEMBL
222552,N=C(N)NC(=O)C1(C[NH+]=C(N)N)CO1,0,GDB ChEMBL
81794,COCC12CCCC(C(C3CC3)CC1)C2C,0,GDB ChEMBL
176486,CC(CN)NC(=[NH2+])NC(N)=[NH2+],0,GDB ChEMBL
179457,C#CC1C2c3c(C)cccc3CCC([NH3+])C12,0,GDB ChEMBL
43932,CC(C)COc1cn(CC(N)(C#N)C#N)cn1,1,GDB ChEMBL
41315,CCCC1CCC(C[NH2+]C)(OC)C1(C)C(C)=O,0,GDB ChEMBL
227312,Cc1c(N)c(C(C[NH3+])NCC(=O)[O-])noc1=O,0,GDB ChEMBL
71969,C#CC1NCC(OCC)C1[NH2+]C,0,GDB ChEMBL
161965,Cc1nc(NC=O)ncc1N,1,GDB ChEMBL
198811,COC12C[NH2+]CC(N(C)C)CCN(C1)C2,0,GDB ChEMBL
384810,NC(=O)C12CC(C(=O)[O-])[NH2+]C1C(O)C2N,0,GDB ChEMBL
239400,C#CC1(C)CC(C)=CC[NH+](CC)C1C=O,0,GDB ChEMBL
192554,C#CCC1(CCC)C[NH+](C)C1C=C,0,GDB ChEMBL
258314,N#CCC1=NC(C(=O)[O-])CN1,0,GDB ChEMBL
176433,CCCCN1C2=[NH+]C(C)(C)C(C)N2CC1CO,0,GDB ChEMBL
280774,CCC(O)C1CN1C1CCC(C)C1NC=O,1,GDB ChEMBL
24036,CC(C)CCCC1CCC2C=CC1C2,1,GDB ChEMBL
366581,CC1C=CCC=CCCCC1C,1,GDB ChEMBL
153290,CCOC1C(O)C2C(O)(CNS2(=O)=O)C1O,0,GDB ChEMBL
385612,CC(=O)NCCOC(=O)NC=O,1,GDB ChEMBL
355181,COC1C2C(CO)C(C)(C)C1C(C)[NH+]2C,0,GDB ChEMBL
194709,CCc1ncnc2nc(C[NH3+])ncc12,0,GDB ChEMBL
218820,[NH3+]CC(O)C1NC2COC(=O)C1C2[NH3+],0,GDB ChEMBL
368170,Oc1cccc2cc3ncoc3c(F)c12,1,GDB ChEMBL
173999,CCCC1(CC(C)C2CCC(C)C2)CC1,0,GDB ChEMBL
372202,COc1cnc(NC(N)=O)ocnc(N)n1,0,GDB ChEMBL
355280,Cc1cc(=O)c2c(C(N)=O)onc2c(N)c1O,0,GDB ChEMBL
129589,NC1(C(=O)[O-])CNC(=O)OC1C[NH3+],0,GDB ChEMBL
271005,CCC1CC2C(C)C2c2cc(C)c(F)cc21,0,GDB ChEMBL
385353,CC(=O)N1CC(CO)(NC(N)=O)C1CO,0,GDB ChEMBL
27749,CS(=O)(=O)c1cc(C=O)sc1C(=O)[O-],1,GDB ChEMBL
271092,Clc1cc2c(c3c1C1C=CC3C=C1)CCC2,1,GDB ChEMBL
18323,CCOCCc1c(O)cc(N)n1C1COC1,0,GDB ChEMBL
112375,C#CC(NCC)C(=O)OC,1,GDB ChEMBL
148921,CC12C=C(CO)CC(=O)N1CCC2,1,GDB ChEMBL
276128,CC[NH+](C)Cc1c(O)cnc(O)c1C(N)=[NH+]C,0,GDB ChEMBL
195234,CCC#CCCCC(C=O)OC,1,GDB ChEMBL
165244,C#CCC1C(CC)CC(C)C1CC,1,GDB ChEMBL
276029,CC1NC2CC(NC2=O)C([NH3+])C1N,0,GDB ChEMBL
277615,Cc1cc(C2C(C)OC2C)cc(Cl)c1N,0,GDB ChEMBL
228414,CC#CC1C(CC)CCCC1C(C)C,0,GDB ChEMBL
70962,Cc1cc(O)c(C(C)C)c(C)c1C(F)(F)F,1,GDB ChEMBL
136479,CC1=CC2CCCC1C2(C)CCC(C)(C)C,0,GDB ChEMBL
386490,CNC(N)=[NH+]C1CC(C(=O)[O-])C1CC(=O)[O-],0,GDB ChEMBL
352216,CC1([NH3+])COC(=O)C1c1ccnc(O)c1,0,GDB ChEMBL
119912,CC(=O)C1CCC(C(C)C)CC1CO,1,GDB ChEMBL
305515,Cc1nc(CC23CC(O)CC2O3)no1,0,GDB ChEMBL
111934,COC1CS(=O)(=O)NC1CO,1,GDB ChEMBL
235657,C[NH2+]C1CCOCOC1C(C)C#N,0,GDB ChEMBL
372531,CC(CC=O)CC1(C)CCC[NH2+]C1(CO)CO,0,GDB ChEMBL
325760,C[NH2+]CC(O)C1C(O)C1(OC(N)=O)C(=O)[O-],0,GDB ChEMBL
275578,C#CCCCCC([NH3+])C1(N)CC(=O)NC1C[NH3+],0,GDB ChEMBL
124790,CCC([NH3+])CC1NC(COC)CCC1[NH3+],0,GDB ChEMBL
223977,C#CCCC(C)(C)N(C)c1ccc(C)c(N)c1,1,GDB ChEMBL
374336,CC1CCC2(C)C1CCC1[NH2+]CCC12,0,GDB ChEMBL
380335,COCC1(C)C(O)C2NC(=O)NC(=O)C21,0,GDB ChEMBL
259552,CCCCC1C=C(C)CCC1,1,GDB ChEMBL
351305,CC[NH2+]C(C)(C)C(CO)N(C)C,0,GDB ChEMBL
210434,CNC(=O)C(C)C1=CCCC1[NH3+],0,GDB ChEMBL
256177,CCC1CN(C)C1(C#N)CO,0,GDB ChEMBL
121526,COCCC1N=C(CO)OC1C,0,GDB ChEMBL
214721,NS(=O)(=O)CCc1cc(CO)on1,1,GDB ChEMBL
118677,COC1C(C)C2C3C(=O)NC1C32,1,GDB ChEMBL
115915,CC1CC2(C)CCC=CC([NH+](C)C)C1C2,0,GDB ChEMBL
210439,C#CC(O)COCC#CCCC,1,GDB ChEMBL
306013,CC[NH+]1C2CCC21CC(C)C,0,GDB ChEMBL
339995,CCOC(C)(CC)C(C)C(CC[NH3+])COC,0,GDB ChEMBL
234956,CCC1CC2CCC(C1CO)C1CC21,0,GDB ChEMBL
267902,C#CC1C=C(c2ccccc2Cl)CC1C,1,GDB ChEMBL
61762,CCC1C(=O)CCC1(C)CC,1,GDB ChEMBL
276301,C#CCC(C)C1C([NH2+]C)CCC1C(C)(C)O,0,GDB ChEMBL
109749,COC(=O)C1(O)CCC(=O)NCC1=NO,0,GDB ChEMBL
210142,CCC1=NC(C(=O)[O-])(C(C=O)CCO)C(=O)N1,0,GDB ChEMBL
74328,CCCC(CC)C(C[NH3+])C1(C)COCCC1C,0,GDB ChEMBL
109598,CCC1(C)CC2(C)C3CC[NH2+]CC(C3)C2(C)C1,0,GDB ChEMBL
337406,C#CCC1CC(C)CC(C)(C)CC1OC(C)C,0,GDB ChEMBL
355138,C[NH2+]CC1(CC[NH3+])CC(O)C(C)N1,0,GDB ChEMBL
276277,CC1C=CC(O)C([NH3+])C=CC1C1CC[NH2+]C1,0,GDB ChEMBL
176499,CC1=C(C2CC2CCOCC[NH3+])CCCC1,0,GDB ChEMBL
392711,CC1OC(=O)NC1C1C(N)C1C#N,0,GDB ChEMBL
127507,Cn1cnc2c1C1(CC1)CC(C)(C)N2,0,GDB ChEMBL
152491,CC1CN(C)C(CC=O)C[NH2+]1,1,GDB ChEMBL
17300,C#CC1([NH3+])CN(c2cc(C)c(C)c(F)c2)C1,0,GDB ChEMBL
6875,NC(=[NH2+])C1CC(O)COCC1=O,0,GDB ChEMBL
182927,CCC[NH2+]C1CC=C2C[NH+](C)C2CC1CC,0,GDB ChEMBL
255320,CCC1(O)C2[NH2+]CC(C2C(N)=O)C1(C)[NH3+],0,GDB ChEMBL
104983,CC1C(O)CC(N)C2[NH2+]CC12,0,GDB ChEMBL
368401,C#CCC(OC(C)(C)C)c1ccc(Br)cn1,1,GDB ChEMBL
143189,O=C([O-])C1CC(O)C(CO)OCO1,1,GDB ChEMBL
310106,CCCCCc1ncc[nH]cc(C)cc1CC,0,GDB ChEMBL
161921,CC1CC2(C)CC1C1CC2(C)CC1C,0,GDB ChEMBL
284727,OCC1CCCC2CCC(C1)C2,1,GDB ChEMBL
396105,CCCc1c(C(C)C(C)(C)O)ccc(F)c1F,1,GDB ChEMBL
194267,CCCC1CC([NH3+])CC2C(C)C(C1)CC2(C)C,0,GDB ChEMBL
263868,COC1(C(=O)[O-])CC[NH+](C)C(C)C1,1,GDB ChEMBL
287008,CC(=O)CC1(C=O)CC(C(=O)[O-])CC=C1C,0,GDB ChEMBL
312218,C[NH2+]C1C(O)C(C)C(C(N)=O)C1S(=O)(=O)[O-],0,GDB ChEMBL
36179,CCC1(C(=O)NC(=N)N)C(N)C1C(N)=[NH2+],0,GDB ChEMBL
140850,CN1CC2C(=O)C(C#N)CNC(=O)C(O)C21,0,GDB ChEMBL
260171,C[NH+](C)CC1(C2CC2)CC=CC1,0,GDB ChEMBL
271814,CC#Cc1cnc(CC)cc1C,1,GDB ChEMBL
157422,CN(C)S(=O)(=O)C1C[NH2+]CC1CO,0,GDB ChEMBL
239381,C[NH+]=C(N)NC1=NCC([NH3+])(CO)C1CC(=O)[O-],0,GDB ChEMBL
285602,Cn1cc2c(c1)C1C3OC3C2N1C(=O)C[NH3+],0,GDB ChEMBL
112867,Nc1ccc(OC2CCCCC2)c(F)c1,1,GDB ChEMBL
54795,CCC(=O)NC(=O)NCc1cc(C)c(CC)o1,1,GDB ChEMBL
148496,C#Cc1c(F)cc(C([NH3+])C(C)C)c2c1NCC2,0,GDB ChEMBL
286846,[NH3+]CCCC12CCC(CO1)CO2,0,GDB ChEMBL
312538,NC(=[NH2+])NC1C(O)C(C(=O)[O-])C2(O)COC12,0,GDB ChEMBL
33544,CC(C)C12CCC(CC1)C2c1cccc(Cl)c1,0,GDB ChEMBL
140884,C#CCC(C)C(C)(OC)C1C(O)C[NH2+]CC1O,0,GDB ChEMBL
365813,NC(=[NH2+])N1CCC2C3COC(=[NH2+])NC3C2C1,0,GDB ChEMBL
3781,N#CC1(c2ccc(Br)cn2)CC1,1,GDB ChEMBL
368410,CC1(OCCC2C[NH2+]C2)CC1,1,GDB ChEMBL
142916,COC1C(CCO)C2NC(=O)C(=NO)C21,0,GDB ChEMBL
9807,C#Cc1ccc(CCC)cc1CC,1,GDB ChEMBL
182491,NC(=[NH2+])NC(C(N)=O)C1(C=O)CNC1C=O,0,GDB ChEMBL
147882,CCC1CC2C=C(C)CCC2(C)C1CO,0,GDB ChEMBL
93153,CNc1nc(N)c(O)n1C,1,GDB ChEMBL
349666,COCCc1cnc(NC(=O)C(C)C(N)=[NH2+])[nH]1,0,GDB ChEMBL
40885,N#CC1[N-]C(=O)C(O)(C[NH3+])C1N=C(N)N,0,GDB ChEMBL
388239,C[NH2+]C(C)CCCOC1(C)CC2CC1C2,0,GDB ChEMBL
375506,C[NH2+]C1CN(CCC(=O)CO)CC1C,0,GDB ChEMBL
190432,CC(=O)OC1C[NH2+]C2C(N)(C(=O)[O-])C12O,0,GDB ChEMBL
148881,COC1C2C(=O)NC(C2O)C1(C#N)OC(N)=O,0,GDB ChEMBL
311369,CCCC1(C(C)C)CCCC(O)C(CO)CC1,0,GDB ChEMBL
391713,CC1(C2CC[NH+]2CCO)CCOCC1,0,GDB ChEMBL
346998,CCC1OC2(C)C[NH2+]C3CC[NH+](CC3)CC12,0,GDB ChEMBL
275626,OCCC(C1CC1)C1C[NH2+]C1,0,GDB ChEMBL
51093,CC(C)(O)CNC1=[NH+]CCC1N,0,GDB ChEMBL
128302,C=CC1C2CC3[NH2+]CC2CCC31C,0,GDB ChEMBL
188492,CCCc1ccnc(C(C)(C)C#N)n1,1,GDB ChEMBL
5889,Cc1cc(Nc2ccc(I)c3c2CCC3)no1,1,GDB ChEMBL
322896,CC1CC2OC23C1[NH+](C)CC3(C)C,0,GDB ChEMBL
340000,O=C(c1nn[n-]n1)N1C(CO)C1CO,0,GDB ChEMBL
101035,CC(C)CC1CC2(C)CC[NH+]1C2,0,GDB ChEMBL
152027,CCC(=[NH2+])NCC(N)c1ccc(O)cc1CO,0,GDB ChEMBL
157740,NC(=O)OC1C(=O)NC2(CC(=O)[O-])C([NH3+])C12,0,GDB ChEMBL
166452,CCOC1C(N)=NCC1O,1,GDB ChEMBL
334741,CCOC1C(=O)C=CC1C,1,GDB ChEMBL
225193,COCc1nc2[nH]nc(N)c2cc1C,1,GDB ChEMBL
310317,CCC(C)C1CNC(C)C[NH2+]1,0,GDB ChEMBL
61931,CN1CCCC(C[NH3+])C1=O,1,GDB ChEMBL
24476,CCC(C)(C1CC[NH2+]C1)C(OC(C)C)C(C)C,0,GDB ChEMBL
298237,C1=CCCCCC(C2CCC2)=CCC1,1,GDB ChEMBL
269163,[NH3+]C1C2C[NH2+]CCC3C2NC(=O)C13,0,GDB ChEMBL
120368,OC1CCN2C=[NH+]CC12,0,GDB ChEMBL
223555,C#CCCC(CCCC)(CC(C)C)OC,1,GDB ChEMBL
239359,Cc1cc(I)c2c(c1)CC([NH3+])CCCC2,0,GDB ChEMBL
169395,Cc1cccc(CCC2(C)CCC2)c1,1,GDB ChEMBL
279224,CNc1cn(C(C)C)c(CCOCCC=O)n1,0,GDB ChEMBL
363224,CCC(C)(CC1(C)CCCC1)C(=O)C(C)C,1,GDB ChEMBL
363227,CCNc1c(C(C)(C)COC)cnn1C,1,GDB ChEMBL
210395,C[NH2+]CC1(CC([NH3+])CO)C(=N)OC(C)CC1O,0,GDB ChEMBL
1971,CCOCC1(C(F)(F)F)CN(CC[NH3+])C1,0,GDB ChEMBL
75030,CCOC1C[NH2+]CC=C(C=O)C1=O,0,GDB ChEMBL
229411,N#CCCN1CCS(=O)(=O)C1,1,GDB ChEMBL
2985,CCC1OC(=N)C(C)(CO)C[NH2+]CC1N,0,GDB ChEMBL
333096,CC(C)C1CCC2C=CC(=O)C1C2,0,GDB ChEMBL
47350,CCCCCc1nc(C)c(C)nc1C(N)=O,1,GDB ChEMBL
132224,CNC1(C)C(C[NH3+])NCCC([NH3+])C1OC,0,GDB ChEMBL
641,C#CC(CCC(=O)OCC(N)=O)OC(C)C,1,GDB ChEMBL
374151,C[NH2+]CC1C2CC(C#N)C(C2)C1C,0,GDB ChEMBL
289959,C[NH2+]CC1CC1(C[NH2+]CCO)OS(N)(=O)=O,0,GDB ChEMBL
11238,CC1NCC2(CO2)C(C#N)[N-]C1=O,0,GDB ChEMBL
251939,C#CC1CC(C=O)C(CC)(NC(C)=O)CCO1,0,GDB ChEMBL
206986,CCCOC(CCC)CC(=N)OC(C)C,1,GDB ChEMBL
34834,C#CC1=C(CC)CC(c2cnccc2Cl)C1,0,GDB ChEMBL
41607,CCC1[NH2+]C(C#CC[NH3+])C2C=CC(=O)OC12,0,GDB ChEMBL
18908,O=C1NCCCN2CCN=C2NC1=O,1,GDB ChEMBL
176417,CC[NH2+]CCN=C(C)NC(=O)C(=O)[O-],0,GDB ChEMBL
338351,Nc1ncncc1OCS(N)(=O)=O,1,GDB ChEMBL
379156,CC1C(C)C2C=CC1C2(C)C(O)C(C)(C)C,0,GDB ChEMBL
116597,CC[NH2+]C(C)CC(C)C(C)C(F)(F)F,0,GDB ChEMBL
311637,COC(C=O)C(C)CNS(C)(=O)=O,1,GDB ChEMBL
34968,NC(=O)C1CC2=CC[NH2+]CCC2C1[NH3+],0,GDB ChEMBL
311696,NC(=O)C1CCCC(CCOCCO)NC1=[NH2+],0,GDB ChEMBL
292700,C[NH+]1CC2C3C2C2C=CC3C2(C)C1,0,GDB ChEMBL
245553,CC1CC2COC3C[NH2+]CC3C2C1,0,GDB ChEMBL
18660,C#CCC1(CC#C)CCCNC(=O)C1,0,GDB ChEMBL
339003,O=C([O-])C1C2C3CC(C12)S(=O)(=O)N3,0,GDB ChEMBL
259356,NC(=[NH2+])c1c([O-])cc(CCO)c(I)c1C(N)=[NH2+],0,GDB ChEMBL
41044,CCCC([NH+](C)CC)C(C)(C)OC=O,0,GDB ChEMBL
190835,CC1CC([NH3+])C(C2CC2C[NH3+])C1,0,GDB ChEMBL
278254,CNC(=[NH2+])NC(C(=O)[O-])C(N)C(C)O,0,GDB ChEMBL
380383,CC#Cc1cc(I)cc(CCC)c1,1,GDB ChEMBL
101880,CCS(=O)(=O)N1CC(O)C(C#N)C1,1,GDB ChEMBL
106592,C#CC([NH3+])CC(C)CC(OC=O)C(=O)NC,0,GDB ChEMBL
232121,CNC(=O)N1CC(C[NH2+]C)Cc2c1cnn2C,0,GDB ChEMBL
107658,NS(=O)(=O)CC1C[NH2+]C1C(=O)[O-],1,GDB ChEMBL
18696,CCCC1(C)CC2C(=O)COC2C1OC,0,GDB ChEMBL
368411,CCNc1nc(N)c(NC=[NH2+])c(C)c1Cl,0,GDB ChEMBL
132679,CCCn1c(=O)cn[nH]c1=O,1,GDB ChEMBL
66618,COCC(CCCO)OC(=O)S(C)(=O)=O,0,GDB ChEMBL
152028,COC(=O)N1C(=N)NC(N)=[NH+]C2(C)CC12,0,GDB ChEMBL
278119,NC(=O)CN1C(C=O)C1C(O)C(=O)[O-],0,GDB ChEMBL
277425,COC(=O)C1C([NH3+])C2C=CC1C2O,0,GDB ChEMBL
99432,C#CCCC1(CO)CCN(C(C)=[NH2+])C(=[NH2+])N1,0,GDB ChEMBL
398969,C#CC(C(C)C)C(CCC)CCCC,0,GDB ChEMBL
184635,CC1OC2CCC1[NH2+]C2CO,0,GDB ChEMBL
218591,CC#CC(=O)NC(CO)c1[nH]ccc1C,1,GDB ChEMBL
13874,CC1CC(C2C[NH2+]2)C(C(N)=O)C1O,0,GDB ChEMBL
359184,Cc1cnn(C(=O)N(C)C)n1,0,GDB ChEMBL
133297,CC12CCC([NH3+])C1N2S(C)(=O)=O,0,GDB ChEMBL
379729,Nc1ccccc1C1CN1,1,GDB ChEMBL
115398,CN=C1OC(C[NH3+])C2CC1CC[NH2+]2,0,GDB ChEMBL
37149,C#CC([NH3+])C(CNC=O)C(=O)NC(N)=O,0,GDB ChEMBL
204518,C[NH2+]C1CC2(C[NH3+])COC2C1O,0,GDB ChEMBL
152073,CC[NH2+]C(C)(C)C1CC(CO)C1,0,GDB ChEMBL
285758,CC(O)CCCC(C)C1CC2(C)CC2[NH2+]1,0,GDB ChEMBL
28298,Cc1c(N)c2n3c1CC(CO)C3CC(=O)N2,0,GDB ChEMBL
382167,[NH3+]Cc1cccc(C[NH3+])n1,0,GDB ChEMBL
50903,CC(CO)[NH2+]CC1(C)CC2CC2CC1C,0,GDB ChEMBL
288905,O=C1CC23CCCC2C1CC3O,0,GDB ChEMBL
269150,CCC12CC(C(=O)[O-])NS(=O)(=O)C1N2,0,GDB ChEMBL
278195,CC12CC(OC1=O)C(O)CCO2,1,GDB ChEMBL
318170,C#CC(CC#N)(CCCO)C(C)=O,0,GDB ChEMBL
239967,CC1[NH2+]C2CC1(O)C2C(N)=O,0,GDB ChEMBL
345743,C1CN(C2CC[NH2+]C2)C1,0,GDB ChEMBL
289784,CCc1cc2ccc(Cl)c(N(C)C)c2nc1C,1,GDB ChEMBL
190276,CCc1ccc(N2CCNC2=O)c(I)c1I,1,GDB ChEMBL
132567,CC1OCCC#CCC[NH+](C)C1C,0,GDB ChEMBL
354763,C[NH2+]CC1=CCC(=[NH2+])NC1C(N)=O,0,GDB ChEMBL
372163,COCC1CCC(C(F)(F)F)C=CC[NH2+]1,0,GDB ChEMBL
11716,COC1C(O)CC(O)C12CNC(C[NH3+])C(=O)N2,0,GDB ChEMBL
288701,C[NH2+]C1C(O)C(O)C(C)C1CS(=O)(=O)[O-],0,GDB ChEMBL
4744,C[NH2+]C1(C(=O)[O-])C=CCC1O,0,GDB ChEMBL
19594,CC[NH+](C)CC(CCCNC(C)=O)C(O)C=O,0,GDB ChEMBL
179993,CC(=[NH2+])N1CC2OC(=N)C(CCNC2=O)C1C,0,GDB ChEMBL
338975,C#Cc1c[nH]c(N(CCCC)CC(N)C#N)n1,1,GDB ChEMBL
188467,Cc1nc(C#CC(C)O)cs1,1,GDB ChEMBL
130634,[NH3+]C1CC(Cc2cccs2)(C2C[NH2+]2)C1,0,GDB ChEMBL
41281,CCC(C)CC1Cc2c(C)cc(Br)cc2C1O,1,GDB ChEMBL
363789,Cc1cc(O)cc(Nc2nc(=N)nc(N)s2)n1,0,GDB ChEMBL
271580,CC(CC(=O)[O-])C(c1c[nH+]c(N)[nH]1)C(N)C[NH3+],0,GDB ChEMBL
220170,CC1COC(C)C(=O)C2(CC=CC2)C1,0,GDB ChEMBL
125568,C[NH2+]CC(C)COc1ncnnc1C#N,0,GDB ChEMBL
11708,C#CC1COCCC(C(C)CC)CC(C#N)N1,0,GDB ChEMBL
225008,CCC1CC(C(C)C(C)C)CC1CC,1,GDB ChEMBL
163414,CC12C(=O)OCC1[NH+]=C(N)NC2C(=O)[O-],0,GDB ChEMBL
203623,C#CC1CCC[NH+](C)CCCC1[NH3+],0,GDB ChEMBL
39710,CC1CC(CS(N)(=O)=O)NC1=O,1,GDB ChEMBL
211098,C[NH2+]C1C(N)(C(=O)OC)CC2C(O)C21C,0,GDB ChEMBL
222799,C#Cc1nscc1NCC1(C)CCC(CC)C1,1,GDB ChEMBL
33873,C[NH2+]CC1=C(C=O)C(C)CC(O)C1(C)C,0,GDB ChEMBL
110204,C#CC1C(C)C2C[NH+]1CC1[NH2+]CCC1C2O,0,GDB ChEMBL
143523,CC1C=CC(CO)C(=O)NC1=O,1,GDB ChEMBL
184293,CC#CCCCCC1CC2CC2C1,1,GDB ChEMBL
192561,NC(=O)NCC([NH3+])C(N)(C[NH3+])CC(=O)[O-],0,GDB ChEMBL
197424,CCC1(C=O)CN2CC2C1C(=O)[O-],0,GDB ChEMBL
362832,CCCCC1C=CC(C(F)(F)F)CC(C)C1,0,GDB ChEMBL
147540,CC1C=C(COCC2CC[NH2+]2)C(O)C=CC1,0,GDB ChEMBL
19593,CCC(O)CCC(C(C)C)C(C=O)OC,0,GDB ChEMBL
348859,CCc1cc2c(c3oc(C)c(N)c13)NCC2,1,GDB ChEMBL
115051,CC1C([NH3+])CC(C)(CC(=O)[O-])CC(C[NH3+])C1C,0,GDB ChEMBL
160984,COC(=O)C1CC2(CO2)C1[NH3+],0,GDB ChEMBL
131879,Cc1cc2c(s1)NC(=O)CC2,1,GDB ChEMBL
367671,CCC1CC=CC(OC)CCC([NH3+])C1,0,GDB ChEMBL
266506,CCCC12CCC(C)(C1)[NH2+]C2,0,GDB ChEMBL
245517,CC1CCC[NH+]1C1C(O)C1C1CO1,0,GDB ChEMBL
172752,[NH3+]CC#Cc1cc(O)ccn1,0,GDB ChEMBL
112060,Nc1cccnc1CCC#Cc1cn[nH]c1,1,GDB ChEMBL
363578,C#CC1CCC(C)c2c(C=O)cc(C)cc2C1,0,GDB ChEMBL
246951,O=C1NCC2OCC(=NO)CC12,0,GDB ChEMBL
127234,CNc1nsc(C(=N)N)c1[N+](=O)[O-],0,GDB ChEMBL
160023,CN=C1CC2CCC[NH2+]C2C(=O)N1,0,GDB ChEMBL
184092,CCN(C(N)=O)C(=O)c1nn[n-]n1,0,GDB ChEMBL
358117,C#CC1CC(C)C2CCC[NH2+]C12,0,GDB ChEMBL
181708,CCC1CC(CO)C=CCCO1,0,GDB ChEMBL
140766,CC(C)C1CN(c2ccnc(N)n2)CC1=O,1,GDB ChEMBL
43567,O=C1NCC2OCC(O)COC(C(=O)[O-])C2N1,0,GDB ChEMBL
349993,NC(=[NH2+])c1ccnc(O)c1S(=O)(=O)CO,0,GDB ChEMBL
230381,CC1CC2CC(=O)OCC3C(C1=O)N23,0,GDB ChEMBL
71674,OC1CC2C3CCC[NH+](C1)C32,0,GDB ChEMBL
99689,C#CC1NCCC2(CCCCC1=O)CCC[NH2+]2,0,GDB ChEMBL
225480,CNC(C[NH3+])C(=O)Nc1ncnnn1,0,GDB ChEMBL
313344,CCCC1CC2(C)CC(C)CCCC1C2,0,GDB ChEMBL
393519,C#CC[NH2+]C(C)CCC(=O)C(C)CC=O,0,GDB ChEMBL
79594,CC(O)CC1(C)CC(O)CC(O)C1,0,GDB ChEMBL
77543,O=C(CC(=O)CC(F)(F)F)Cc1ccccc1,1,GDB ChEMBL
283299,O=C1NC2CC3CC2C[NH2+]C13,0,GDB ChEMBL
386650,C[NH+]1CCC2CC(O)C3C[NH2+]C3(C)CC21,0,GDB ChEMBL
60617,CN=C(C)NC(=O)Nc1ncccc1Cl,1,GDB ChEMBL
246383,C[NH2+]C1CCC1OC(N)=O,0,GDB ChEMBL
305220,C#CC([NH3+])(CCCO)Cc1ccn(C)n1,0,GDB ChEMBL
148372,C#Cc1cc(CC)ccn(CCC)c(C)cn1,0,GDB ChEMBL
71271,CC1(CC[NH3+])CN(C(N)=[NH2+])CCC1[NH3+],0,GDB ChEMBL
305181,CCC1CC1CC(N)=[NH2+],0,GDB ChEMBL
193811,[NH3+]CC(O)C1[NH2+]CC1c1cccc(I)c1,0,GDB ChEMBL
304348,[NH3+]C(CC(=O)[O-])C(=O)NCCNC=O,1,GDB ChEMBL
20095,CC(=[NH2+])NC(C)C(N)C1COC(C)CN1C,0,GDB ChEMBL
67627,C[NH+]=C1NCC2N1CCCCCC2(C)C(C)C,0,GDB ChEMBL
108699,COC1CC2(CCS(=O)(=O)CC2)[NH2+]C1C,0,GDB ChEMBL
228369,CCC(O)C1NC2C(NC1=O)C2S(=O)(=O)[O-],0,GDB ChEMBL
132532,CC12CCC3(CCCC31)CC2O,1,GDB ChEMBL
127640,CCc1c(I)cc(CN2CCOC2=O)[nH]c1=O,1,GDB ChEMBL
153686,CCCCC(CC)CC1CC(CC)C(C)C1C,0,GDB ChEMBL
183439,N=c1ncccc(N)c1C(=O)C(N)=O,0,GDB ChEMBL
190234,N#CC1(C(N)=O)C(O)C1(O)C(=O)[O-],0,GDB ChEMBL
67352,CC12CC(C=CC=CC1C#N)CC2O,0,GDB ChEMBL
242946,CC12C[NH+]3CCNC1C3CCO2,0,GDB ChEMBL
18705,N#CC12CN(CCC1O)C1CN(C=O)CC12,0,GDB ChEMBL
301197,[NH3+]CCCOC(C(=O)[O-])c1cncc(O)n1,0,GDB ChEMBL
339221,[NH3+]CC1C2CC(O)C1S(=O)(=O)NC2CO,0,GDB ChEMBL
231117,CCc1cc2c(c(C(C)C)c1C)C1CC1C2,1,GDB ChEMBL
379261,CC(NC(=O)CO)C1OC2CCOC21,0,GDB ChEMBL
79376,CCc1c(Br)cc2c(c1C)C([NH3+])CNC2,0,GDB ChEMBL
391657,CCCC1C=CCCCC2CC2CC(C)=C1,0,GDB ChEMBL
266199,CN1CCCOC(=O)C1CNC=O,1,GDB ChEMBL
140103,[NH3+]CCCN(CC(=O)[O-])c1ncccn1,1,GDB ChEMBL
112458,C[NH2+]CC1C=CC=CC(C)=CCC(C)C1,0,GDB ChEMBL
242613,COCC1OCC=CC#CCC1OC,0,GDB ChEMBL
221653,C[NH2+]C1CCC(CC(C)[NH3+])CC(=O)OC1,0,GDB ChEMBL
277096,CCC1CC2COC1C2C,1,GDB ChEMBL
304132,COC(=O)CCc1nc(C)nc(Cl)c1N,1,GDB ChEMBL
205768,CNC(=[NH2+])C(N)CC1CC1,0,GDB ChEMBL
366488,CNC(=[NH2+])CC(N)CC[NH+](C)C,0,GDB ChEMBL
173118,CC1CCC(C)C(CC2CC2)[NH2+]1,0,GDB ChEMBL
219556,CCOC(=N)C(=O)NC(=N)N,1,GDB ChEMBL
31277,CC12OC(C(=O)[O-])C(O1)C(N)C2NC(N)=[NH2+],0,GDB ChEMBL
66751,C#CC1=CC2NC(=O)C(C)CC2(C)C1,0,GDB ChEMBL
132840,C#CCc1c(Br)cc(Br)cc1CC(C)CCC,0,GDB ChEMBL
152025,[NH3+]C1CC1OCC[NH2+]CCO,0,GDB ChEMBL
386217,C#CC1(CO)C(O)CC2CC1C[NH+](C(C)C)C2,0,GDB ChEMBL
104940,C#Cc1c(Cl)cc(C)c2c1CC(C1CC1)O2,1,GDB ChEMBL
39691,Nc1noc(CC([NH3+])C(=O)[O-])n1,1,GDB ChEMBL
338349,O=C(CC(O)C(=O)[O-])Nc1csnn1,1,GDB ChEMBL
190313,CN=C(N)N(C)S(=O)(=O)CC(C(C)C)[NH+](C)C,0,GDB ChEMBL
3823,CN1CC(O)C([NH3+])C(C)(NC=O)C1C#N,0,GDB ChEMBL
149397,C#CC(C)C(C)[NH2+]CC#CCCCC,1,GDB ChEMBL
382539,CC1CC2CC1C(C)C(CO)[NH2+]2,0,GDB ChEMBL
349490,CC(=O)NC=NC(CO)(CC[NH3+])C(N)=O,0,GDB ChEMBL
311635,N#Cc1cscc1C1(O)CCCC1,1,GDB ChEMBL
305987,CCOC(C)C1CC2(CC2[NH3+])NCC1O,0,GDB ChEMBL
21676,Nc1cc(NC(=O)CC(O)C[NH3+])cs1,1,GDB ChEMBL
209849,C[NH2+]C(CC(O)C1CNC(=O)CN1)C(N)CO,0,GDB ChEMBL
251058,C#CCOc1cnc(C[NH3+])c(O)n1,0,GDB ChEMBL
89110,CCOc1cc(CC[NH+]=C(N)N)cs1,0,GDB ChEMBL
348849,N#CCC1=CN(C(=O)C[NH3+])CC1,0,GDB ChEMBL
227579,C=CCC(=CCC)CCCC1CC1,0,GDB ChEMBL
195340,Cc1cc(N)c(F)c(CC[NH3+])c1,0,GDB ChEMBL
338835,CC1C=C2CNC(=O)CC2(CCO)C1=O,0,GDB ChEMBL
186628,CCC(C)CCC1C(CC)CC(C)CC1(C)C,0,GDB ChEMBL
99437,C1=CC(C2CCC2)OCCC1,1,GDB ChEMBL
360971,CC1OC(C(=O)[O-])C2C(CO)C12,0,GDB ChEMBL
298248,CC1(O)CC(N)=[NH+]C2CCC(O)C1C2C[NH3+],0,GDB ChEMBL
391471,C#CC(C)C1(C)C(CCC)C2C[NH+](C)C1C2O,0,GDB ChEMBL
279966,CCc1cnc(COC(C=O)C(C)=O)cc1F,1,GDB ChEMBL
330140,CNc1sc(N)c(OCC(=O)[O-])c1OC,1,GDB ChEMBL
386629,CCC1CC2OCC(CO2)[NH+]=C(N)N1,0,GDB ChEMBL
211111,CCNC(=O)N1C(C)C1C1CO1,1,GDB ChEMBL
17046,CC(CC#N)C1CC(C)(CO)[NH2+]C1CN,0,GDB ChEMBL
382528,CC12CC(CC1[NH3+])C(CCNC(N)=[NH2+])OC2=O,0,GDB ChEMBL
389608,NC(C[NH3+])CCNc1c[nH]nc1C(=O)[O-],0,GDB ChEMBL
75029,OCC1[NH2+]CC=CC12CC2,0,GDB ChEMBL
201169,CN=C(OCC#N)C(CS(N)(=O)=O)C(C)[NH3+],0,GDB ChEMBL
319186,C[NH+]1CC2C=CC(C)(CCCC[NH3+])C21,0,GDB ChEMBL
19613,NC(=O)C(CO)CC1OCOC(=O)C1=NO,0,GDB ChEMBL
97219,CCCOCC(O)C(=O)N(C)c1nnsc1N,0,GDB ChEMBL
24033,NC(=O)C1CC2(C(=O)[O-])NC1C2[NH3+],0,GDB ChEMBL
362702,CN1C(=O)OCCC(=O)C1=O,1,GDB ChEMBL
204611,CC1(C)C[NH2+]C2C=CC(C2)C(=O)O1,0,GDB ChEMBL
90307,C#Cc1cnoc1C(N)CNC(=O)C1CC1,0,GDB ChEMBL
363254,CCNC1(c2nnn(C)n2)COC(=O)C1,1,GDB ChEMBL
153239,COC1C(O)CC(C)C(=O)OCC1[NH2+]C(C)C,0,GDB ChEMBL
382469,CC(C)CC1CCC2(C)CC1CC2O,0,GDB ChEMBL
30341,CCC(C)C1C(C)CCCC1CC,1,GDB ChEMBL
261434,CCC1(C)CC2(CC(O)C2)CN(C)C1=O,1,GDB ChEMBL
276325,Brc1ccc(C2C3CC3C3CC32)cc1,1,GDB ChEMBL
299742,CC(C)(C[NH3+])Oc1cncc(F)c1C(C)(C)C,0,GDB ChEMBL
41621,CC1CCN(C=O)C2CC=CC12C,1,GDB ChEMBL
68470,CCCC1(C(CO)C(N)C[NH+](C)CC)CC1,0,GDB ChEMBL
239161,CC1CC(C)C(OC2CCCOC2)C1,1,GDB ChEMBL
44133,CCC1CC([NH3+])(c2cc(Br)ccc2Br)C1,0,GDB ChEMBL
278223,CCC1CCC2(C)CCC1c1cc(F)ccc12,0,GDB ChEMBL
182235,CCC1(C(C)(C)O)CCc2nccn2C1,0,GDB ChEMBL
179163,CC1(C)OC(=O)C2COC(C2)C1[NH3+],0,GDB ChEMBL
177339,C[NH+]1CC=C2CCC(C2)CC(C)(C)C1,0,GDB ChEMBL
200604,[NH3+]C1COC2CC12C(O)CC(=O)[O-],0,GDB ChEMBL
370357,CC(CCCCC1CC1)C1CC(O)C1,1,GDB ChEMBL
68633,CCC1CC(C)(C(C)=O)CCC1[NH+](C)CC,0,GDB ChEMBL
338254,N#CC1OCC(O)C1CCO,1,GDB ChEMBL
83004,N#CC1NCC(CO)OCC2(O)CC2C1=O,0,GDB ChEMBL
121096,C#Cc1cc(Cl)c(C)c(C(C#C)C2CC2)c1,1,GDB ChEMBL
393510,CC1OC(=O)C2N=C(N)C1C2O,0,GDB ChEMBL
125580,CCN(C)CC(=O)OC(C)c1sc(O)nc1O,1,GDB ChEMBL
120885,N#CC(CCC[NH3+])C(=O)OC1CC1,1,GDB ChEMBL
175834,O=c1onc(CNCCO)nc1[O-],0,GDB ChEMBL
205744,OCC1[NH2+]CC2NCCOCC1CC21CC1,0,GDB ChEMBL
289390,CC(C)OC(C)Cc1ccc(Cl)cc1,1,GDB ChEMBL
92856,CNC(=O)C1C(=O)C2C3C(C(O)CN23)N1C,0,GDB ChEMBL
171318,CC1CC2(CO)C[NH+](C)C1CC(C)C2O,0,GDB ChEMBL
76937,CC(C(O)CCC[NH3+])N(C=O)C1=CCCC1,0,GDB ChEMBL
140149,CC1CC(C)C(O)C[NH+]2CCCC(O)C(C2)O1,0,GDB ChEMBL
84943,C#CCC([NH3+])c1c[nH]c(CC[NH+](C)CC)c1C,0,GDB ChEMBL
206833,CCC1=CC2C(C1)C1CCC(C)[NH+]2C1,0,GDB ChEMBL
143457,COC(C)C(O)C1(CO)C[NH2+]C(C)(C(=O)[O-])C1,0,GDB ChEMBL
361633,CCOC(=O)C1(CC(C)(C)CC[NH3+])CC[NH2+]C1,0,GDB ChEMBL
47237,COC(=O)C(NS(C)(=O)=O)C1CC1([NH3+])CO,1,GDB ChEMBL
305471,CC1C2CC(=O)NC1C(CO)[NH2+]2,0,GDB ChEMBL
348602,COCC([NH3+])CC1OCC1(CO)[NH2+]C(C)C,0,GDB ChEMBL
181508,C#CCCC1CC=CC(C(C)[NH2+]C)C1,0,GDB ChEMBL
252649,COCCN=C(N)C(=O)OC1CC[NH2+]CC1,0,GDB ChEMBL
207672,C#CC1C(=O)c2ncc(Br)cc2N1CCO,0,GDB ChEMBL
267374,CCN1C(C(=O)[O-])C([NH3+])C1(CO)C(N)=O,0,GDB ChEMBL
5895,CCC1CC(=O)C2(C)C=C(C)C1C2O,0,GDB ChEMBL
302471,NC(=O)C(O)c1c[nH]cc1S(N)(=O)=O,1,GDB ChEMBL
9942,COC1CC(C(N)C#N)[NH+]=C(N)C1NC(N)=[NH2+],0,GDB ChEMBL
62025,CCC1C2C[NH+](C)C(C)(CO)C12,0,GDB ChEMBL
279949,c1cnc2c(n1)CCC1CC21,1,GDB ChEMBL
38473,CCC(CC=O)C(CCCO)C[NH+](C)C,0,GDB ChEMBL
239090,O=C1NCCC(n2ncnn2)CN1,0,GDB ChEMBL
4947,Cc1c(F)ccc(C2CCC3C(C)C23)c1F,0,GDB ChEMBL
80491,CC#CC1(O)CC(C)C(C)CCC12CC2,1,GDB ChEMBL
390093,CC1CCC2(C)[NH2+]C(CO)C(C)(C1)CC2C,0,GDB ChEMBL
186778,CC(=O)C1(O)C(C)C2CC1(C)CC[NH+]2C,0,GDB ChEMBL
118884,CC[NH+](C)CC(O)C1(C#N)CNC1C(N)=O,0,GDB ChEMBL
346496,O=C([O-])CC(O)Cn1cc([O-])nn1,0,GDB ChEMBL
62795,CC1[NH2+]CC2CC=CC1C2C,0,GDB ChEMBL
394257,CCOC(=N)OC1CC2CC1NC(=N)NC2=O,0,GDB ChEMBL
21850,CCC(=O)N1CC1C(CO)CNC(N)=[NH2+],0,GDB ChEMBL
119677,COCC(C)CC1(c2cc[nH]c2)CCC1,0,GDB ChEMBL
152034,NC(=O)NC1=[NH+]CCC(O)(C(N)=O)CCCN1,0,GDB ChEMBL
119897,Nc1cscc(C[NH3+])cc(CO)cn1,0,GDB ChEMBL
160809,C#CC(C)(CC)C1COCCCC[NH2+]CC1C,0,GDB ChEMBL
255130,C[NH2+]C1C2C(O)CC([NH3+])C12OC,0,GDB ChEMBL
396744,CCCC(=N)NC(=O)CO,1,GDB ChEMBL
386489,COC1CC2C=CC(C(C)C2)C1C,0,GDB ChEMBL
108685,CC(C)OC(=O)NC(=N)C(=O)[O-],1,GDB ChEMBL
174845,CC(CC1C[NH+]2CC(C2)C1O)C(=O)[O-],0,GDB ChEMBL
386683,CC(C)CN1Cc2nccn2CC12CCC2,1,GDB ChEMBL
132307,NC(=O)C1C(O)CC2CN1CC2[NH3+],0,GDB ChEMBL
277728,CCCC(O)C(NC(=O)C1COCO1)C(=O)[O-],0,GDB ChEMBL
310749,C#CC(C(=O)[O-])C([NH+]=CN)C(=O)OC(C)C,0,GDB ChEMBL
288540,C[NH2+]C1C=C(CO)C([NH3+])CC1O,0,GDB ChEMBL
46891,CC(CCN1CC1)NC(=O)C1CC1,1,GDB ChEMBL
174296,CC1CC2C=CC1C(CO)C2CO,0,GDB ChEMBL
292689,CC1CC(N)(C(N)C(=O)[O-])C(=[NH2+])N1,0,GDB ChEMBL
195339,CCC1OC(COCC(C)C)C(C)[NH2+]C1CO,0,GDB ChEMBL
132661,Cc1cccc2c1COC2=N,1,GDB ChEMBL
107682,N#CC(C(=O)[O-])C1C2CC=CCC1O2,0,GDB ChEMBL
57257,COCC1CC(O)C2(CCC3CCCCC32)O1,0,GDB ChEMBL
279975,CC(C)(C)[NH+]1CCC2CC1c1ccccc12,0,GDB ChEMBL
201457,CCCCCCC(C)(C)C(C)(C)CC(=O)CC,0,GDB ChEMBL
143167,CCC1CC(=O)C(C2C[NH2+]2)C(C)C1,0,GDB ChEMBL
54808,[NH3+]CCC(CC(O)CS(=O)(=O)[O-])CC1C[NH2+]1,0,GDB ChEMBL
280654,CCc1cc(N)c(Oc2ccncn2)c(=N)s1,0,GDB ChEMBL
123012,CCC1C[NH2+]CC1C1C(C)CC1[NH+](C)CC,0,GDB ChEMBL
379235,C#CCN(C)C(C)c1cc(F)ccc1F,1,GDB ChEMBL
11742,C#CC(O)(C#N)CN(CC)CCNS(C)(=O)=O,1,GDB ChEMBL
320784,CC(C)CC1(C[NH3+])CCCC1C1(C)CC1,0,GDB ChEMBL
316109,CC1CCC1C(C)c1ccccc1Cl,1,GDB ChEMBL
76496,CCCC(C)C(C)C1CC2C(C1)C2(C)C,0,GDB ChEMBL
318769,CC1COCC(CCC(N)=[NH2+])NCC(=O)C1,0,GDB ChEMBL
263198,C#Cc1cn(C)c(C)n1,1,GDB ChEMBL
374025,CC1C2CCC(=O)NC1C(C#N)C[NH+]=CNC2,0,GDB ChEMBL
116022,CC1(CCO)NC(=O)C1[NH3+],0,GDB ChEMBL
161011,CCCOC(=O)Nc1c[n-]nc(O)c1=O,0,GDB ChEMBL
118666,O=Cc1nccc(Br)c1C1CC1,1,GDB ChEMBL
358105,C#CCCC(CO)C1[NH2+]CC2COCCC21,0,GDB ChEMBL
305096,C[NH2+]C(C)C(C(C#N)COC)C1(O)CC1[NH3+],0,GDB ChEMBL
61921,C#CCc1cc(F)c(C#C)c(C(C)C(C)C)c1,0,GDB ChEMBL
38592,CC1[NH2+]CC(O)C(CO)OC1C(O)CC(=O)[O-],0,GDB ChEMBL
274174,CN=C(N(C)CC#N)C1(CC(N)=O)CCCO1,0,GDB ChEMBL
374875,Cc1c(CC(C)(C)CO)c(C(N)=[NH2+])c[nH]c1=O,0,GDB ChEMBL
85830,CN=C(C[NH3+])NC(=[NH2+])c1ccc(C(N)=[NH2+])cc1,0,GDB ChEMBL
304020,C#CC1(C)Cc2cncc(Cl)c2CN1,0,GDB ChEMBL
353247,C#CCCC[NH+](C)C(C)CCC(C)CC,0,GDB ChEMBL
117381,C[NH2+]CCC1COCC[NH2+]Cc2coc(c2)C1,0,GDB ChEMBL
99143,CNC(=O)C1([NH2+]CCCCO)CCC(C)C1C,0,GDB ChEMBL
57316,CC1C2CCN(CC[NH3+])C(=O)C2C1(C)O,0,GDB ChEMBL
247320,C#CC(C=NO)CC(C)C[NH+]1CC=CCC1,0,GDB ChEMBL
235942,C[NH+](C)C1CCCCC2OC(C)(C)C21,0,GDB ChEMBL
67344,CC1CCC2CC1C(C(C)C1CC1)[NH2+]2,0,GDB ChEMBL
214694,N#CC(N)C(N)C(O)C1OC1CC(=O)[O-],0,GDB ChEMBL
112494,CCC1(C)NC(=N)C(O)C(CO)NC1=O,0,GDB ChEMBL
62827,C#CCC=Cc1ccc(F)c(F)c1,1,GDB ChEMBL
139829,O=C1OCC2NC1C(OC1CC1)C2O,0,GDB ChEMBL
47209,CC1=CC(C)C(CCO)C1,1,GDB ChEMBL
214013,CC(O)CC1[NH+]=CNCC1=O,0,GDB ChEMBL
354452,C[NH2+]CCC(O)C1C2COC1C[NH2+]2,0,GDB ChEMBL
50863,CC(C)C1CC2CC2CCC1(C)O,1,GDB ChEMBL
161004,CCC(C)[NH+]1C(CC)C(C)C1C[NH2+]C,0,GDB ChEMBL
129405,CCCCNc1nc(=O)occ1OC,0,GDB ChEMBL
130192,CC(C)(CC(O)c1cccc(C#N)c1)OC=N,0,GDB ChEMBL
352240,CC1[NH2+]C2C(=O)C1N(C)C2CCO,0,GDB ChEMBL
358878,COC1CN(C)C2C(O)C(=O)OC2(C)CCO1,0,GDB ChEMBL
334599,CCC(CCCC(C)C)C1CC(C)(C)C1,1,GDB ChEMBL
263848,CC12OC1C1CC([NH3+])C(=O)N1CC2O,0,GDB ChEMBL
382214,C[NH2+]C1C=C(C)C(=O)C(O)(CCO)C1O,0,GDB ChEMBL
97756,NC1C(CO)OC(=O)N2CC(C[NH3+])C([NH3+])C12,0,GDB ChEMBL
346975,CCC1C2CC(C(C)[NH3+])C1C(C)C2O,0,GDB ChEMBL
244497,COc1[nH]cc([N+](=O)[O-])c1C(N)=O,1,GDB ChEMBL
29645,COC(=O)C(O)C1C2[NH2+]C1C1C[NH2+]CC2C1,0,GDB ChEMBL
374058,N#CC1(N)CC1NC(=O)C(N)CNC(N)=[NH2+],0,GDB ChEMBL
155042,COCC(CC(N)=O)NCc1cnn[nH]1,1,GDB ChEMBL
134443,C[NH2+]C1C2CCC(C2)OC1C,0,GDB ChEMBL
113515,Cc1cc2c(n1C)CCC2,1,GDB ChEMBL
186727,CCCCC12C3COC1C1CCC[NH+]1CC32,0,GDB ChEMBL
61992,OC1C2CCCC[NH2+]C3C2COC13,0,GDB ChEMBL
266458,OCCC(O)C1CC2CC2[NH2+]1,0,GDB ChEMBL
17500,CC1OC(N)=NC(C(O)CO)C1=O,0,GDB ChEMBL
174182,CCCC1(C)C(C[NH2+]C)CC2CC21,0,GDB ChEMBL
94701,CC1=CC2(CC2)C(NCC#N)C1,1,GDB ChEMBL
275516,Brc1cc2c3c(c1)CC1CC=CC1C3CC2,0,GDB ChEMBL
119925,O=CCC1(O)CC(CC(=O)[O-])OCC1=O,0,GDB ChEMBL
392492,O=C1NC2CC1NS(=O)(=O)C1OC1C2O,0,GDB ChEMBL
151814,COc1cc(N)c(C)c(O)c1C1([NH3+])CCC1,0,GDB ChEMBL
382546,COC1CC2(C)CC(CO)C1C2(C)[NH3+],0,GDB ChEMBL
124191,CC(CN1CC2CC(C1)O2)[NH2+]CC(N)=O,0,GDB ChEMBL
261377,C[NH2+]C1C(O)CC=CC1(C)N,0,GDB ChEMBL
149346,CC1CC2CC(C1)C1(C)CCOCCCC21,0,GDB ChEMBL
334038,CCCC(C)C1=CCCC1=O,1,GDB ChEMBL
161776,C[NH2+]CCNc1ncc(=O)[nH]n1,0,GDB ChEMBL
292545,CC(C)(CCO)OC(=N)C[NH3+],0,GDB ChEMBL
81129,CCC1N(CC)C1(C#N)C1CC1,0,GDB ChEMBL
257476,CCCc1c[nH]nc1C1CN1,0,GDB ChEMBL
321373,COCC1(O)CC(C[NH3+])C(O)C12CCNC2=O,0,GDB ChEMBL
34728,C=CC1C([NH3+])C(C)CC1C(C)CC,0,GDB ChEMBL
337125,COCCC(C)(C)[NH2+]CCC1(CC[NH3+])CC1,0,GDB ChEMBL
336588,CC(O)CCC1(C)Cc2cocc2C1,0,GDB ChEMBL
60974,Cc1cc(C[NH3+])cc2c1C(C(C)CC[NH3+])[NH2+]C2,0,GDB ChEMBL
24009,C[NH+]1CCOC2(C)CCC12,0,GDB ChEMBL
77250,CCCC(C)(O)CC1[NH2+]CC(C)=CC1N,0,GDB ChEMBL
104427,CCc1cccc(C(C)CCC2CC2)c1F,1,GDB ChEMBL
156093,Cn1c(C#N)cc(O)cc1=O,1,GDB ChEMBL
271056,COCC(CC(CO)CC[NH3+])c1ccn(C)n1,0,GDB ChEMBL
29938,CCS(=O)(=O)N1CCC(=O)C1=N,1,GDB ChEMBL
391755,CCCCC12CCC3CCC(CC(CO)C1)C32,0,GDB ChEMBL
288563,CCC1CCCCC12CCCCCCCC2C,0,GDB ChEMBL
152517,COCc1nn(C2CC2)c(=O)[nH]c1=O,1,GDB ChEMBL
383970,Cc1cc(Cl)c(C)c2c(C(C)(C)C)onc12,0,GDB ChEMBL
137078,N#Cc1ncc(S(N)(=O)=O)c(N)c(C#N)c1=N,0,GDB ChEMBL
204430,CC(C)C1CC(O)CC(O)C2CCC[NH+]2C1C,0,GDB ChEMBL
35277,COC1C=CCCCC(C)(C)OC1(C)C,1,GDB ChEMBL
299710,COC1C(C)CC=CCC1CC1CC1,1,GDB ChEMBL
305585,CNc1ccc(Br)c(CCC(C)OC=O)c1Br,1,GDB ChEMBL
336037,CCC1C2OC2C(C=O)N1C,0,GDB ChEMBL
197207,CCc1cccc2c1CCCC2,1,GDB ChEMBL
259539,C#CC1(C)[NH2+]CC1(O)CCC(N)=O,0,GDB ChEMBL
174859,COC(=O)C(CO)C(O)S(N)(=O)=O,0,GDB ChEMBL
89124,NC(=O)CC(O)C1(C[NH3+])CCS(=O)(=O)N1,0,GDB ChEMBL
252541,C#CC(CO)CC(C)(C)CC#N,1,GDB ChEMBL
338969,CNc1c(C)[nH+]nc(C)c1NC(C)CO,0,GDB ChEMBL
252642,COC1C2NS(=O)(=O)CC21C(C[NH3+])C(C)O,0,GDB ChEMBL
31767,CC(O)c1ncsc1CC[NH3+],0,GDB ChEMBL
307940,N=C1NC(=O)C2CC(O)C(N1)C(O)C2[NH3+],0,GDB ChEMBL
222608,Cc1cc(I)cc(CCC[NH3+])n1,0,GDB ChEMBL
153222,CC(=O)CC(C)(C)Cc1scc(C#N)c1N,1,GDB ChEMBL
304158,CCN(C)C1C[NH2+]CC2CCC21,0,GDB ChEMBL
233407,C#CCC1CC(O)CC2(C)CC3CCCC3C12,0,GDB ChEMBL
197427,CCC1C(N(C)C)CC(=O)C2[NH+]1CCC2(C)C,0,GDB ChEMBL
197252,CC1CCC1(C)CCC[NH3+],0,GDB ChEMBL
195547,CC1CNC(=O)CC1(C)C,1,GDB ChEMBL
293794,CCC(=O)OCC(C#CC(O)C1CC1)OC,1,GDB ChEMBL
155811,CC1CC2CC1[NH+]2Cc1ccccc1F,0,GDB ChEMBL
350892,CC(C)C([NH3+])Cn1ccc(N)c1,0,GDB ChEMBL
300524,CCC(C)CCC12OC1C=CC2=O,0,GDB ChEMBL
322002,CC1C(N(C)C)C1(C[NH3+])C[NH3+],0,GDB ChEMBL
22513,CCC1(CCC(F)(F)F)CC(C)=CC1C,0,GDB ChEMBL
200967,C#CC(C)C(=O)CCCCC,1,GDB ChEMBL
235193,CC(O)CC1NC1(C(C)[NH3+])C1CC[NH2+]CC1,0,GDB ChEMBL
221667,NC1=NC2CCCC(C([NH3+])C(=O)N1)C(O)C2[NH3+],0,GDB ChEMBL
363517,CCC(O)C(C#N)(OCC[NH3+])C(C)N,0,GDB ChEMBL
289394,CCC1(C)CC(C)C2CC(C(F)(F)F)CC21,0,GDB ChEMBL
266508,CN(CCS(=O)(=O)[O-])C(=[NH2+])NC1CC1(C)C#N,0,GDB ChEMBL
303864,CC1CCc2cc3c(cc21)C(O)CC3,1,GDB ChEMBL
264938,CC(O)C1CC(O)CC2CC2C[NH2+]1,0,GDB ChEMBL
129825,OCc1ncc(C2COC2)cc1O,1,GDB ChEMBL
152542,CCC([NH3+])C1C2CC=CC1C(C1CC1)CC2,0,GDB ChEMBL
280767,Cc1cc(C(=O)NC(N)=O)c(N(C)C)nc1C,1,GDB ChEMBL
247376,CC1CCCC(C23CCC[NH+]2CC3)C1,0,GDB ChEMBL
386406,COC1CCC2(O)C(=O)NC(C1)C2OC,0,GDB ChEMBL
280708,C#CCC1C(O)CCC1(CCOC)C(C)CC,0,GDB ChEMBL
67364,C=C1Cc2ccc(C=CC)cc2C1,1,GDB ChEMBL
122663,C[NH2+]C1C2C(O)C(O)C(=O)N(S(C)(=O)=O)C12,0,GDB ChEMBL
376685,CCC([NH3+])C1CCC(C)(C)CC([NH3+])CC1CO,0,GDB ChEMBL
383969,CC1(CCNC(N)=O)CC1,1,GDB ChEMBL
288706,NC(=O)c1nc(F)ncc1CS(N)(=O)=O,0,GDB ChEMBL
66723,NC(=O)c1n[nH]c(=O)c2cn[n-]c12,0,GDB ChEMBL
256155,COCC(N)(C(C)O)C(N)C#N,1,GDB ChEMBL
147211,Cc1cc2c(c(Cl)c1Cl)C[NH+](C)C1CCCC21,0,GDB ChEMBL
180022,C#CC(C)c1cnc(C)c(F)c1C(O)CCO,1,GDB ChEMBL
121757,OCCCCC(O)CN1CC1,1,GDB ChEMBL
254208,C#Cc1cc(CC)c(Cl)cc1Cl,1,GDB ChEMBL
119914,CC(=O)c1cc(I)cc(C2C[NH2+]C2)c1C,0,GDB ChEMBL
118895,CCC1=C2C[NH+](C)CCC2CC1,0,GDB ChEMBL
214390,C=C1C=CC(=O)C1C(CO)NC=O,0,GDB ChEMBL
379874,CC[NH2+]C12CCCC1(O)C2CO,0,GDB ChEMBL
12833,CC=C1C=CC2CC(=O)OCC1N2,0,GDB ChEMBL
386222,CCC(C)C1C2C=CC1[NH2+]C2,0,GDB ChEMBL
271812,C[NH2+]Cc1c(N)cc([N+](=O)[O-])cc1F,0,GDB ChEMBL
268168,C[NH2+]C12CC(CC1C)CC2C(C)C(CO)OC,0,GDB ChEMBL
107703,NC(=O)C(N)(C(C[NH3+])CCO)C1CN1,0,GDB ChEMBL
117416,[NH3+]CCC1C=CCC1n1cc2c(c1)C[NH2+]C2,0,GDB ChEMBL
105131,C[NH+]1CC2CC(=O)CC2C(O)(C(N)=O)C1,0,GDB ChEMBL
204364,NC(=O)NC1C(O)CCC(O)(CO)C1O,0,GDB ChEMBL
31416,O=C([O-])c1cc(Cl)c2noc([O-])c2c1,0,GDB ChEMBL
389604,CC(O)C(=O)NC(=O)c1[nH]nnc1N,1,GDB ChEMBL
84873,CCC12CC[NH+](C)C1C(CC[NH3+])CC2O,0,GDB ChEMBL
305589,CCOCCC1CCC2C3[NH+]=CN(CC1)C23,0,GDB ChEMBL
317317,CC1C(O)C2[NH2+]C1C(O)C(=O)OC2CC(N)=[NH2+],0,GDB ChEMBL
76752,CC1C=CC2CC1CCC2C1CCCCC1,0,GDB ChEMBL
95558,CC1=CCC2CCC(C1)C1C(C2)C1(C)C,0,GDB ChEMBL
231124,CC(CO)(CO)OC(=N)NC(=N)CC(N)=O,0,GDB ChEMBL
53315,Cc1c(CC(C)(C)C)c(C2([NH3+])CC2)nn1C,0,GDB ChEMBL
234409,CCC1CC[NH2+]C(C)C(C)(N)C(=O)N1,0,GDB ChEMBL
259662,CCC[NH+]1C(C(C)CC=O)CC2CC21,0,GDB ChEMBL
124849,CC#CCCOCCCO,1,GDB ChEMBL
317585,CCC1NC(=O)CC2(CC2)CC1C[NH3+],0,GDB ChEMBL
51884,CC(C)C1C(=O)CC(C)C2CC1(C)C(C)O2,0,GDB ChEMBL
278114,CCC1C2=CC3CC3C2c2cc(F)ccc21,0,GDB ChEMBL
37173,CCC1=CCCC(C)(C)C(C)CCC1,0,GDB ChEMBL
363126,NC(=O)C(CCO)CC1CC1,1,GDB ChEMBL
374888,CC(C=CC(=O)[O-])C(C)C(F)(F)F,1,GDB ChEMBL
140311,CNC(N)=[NH+]CC1(C(=O)[O-])CC(C(C)C)C1,0,GDB ChEMBL
204531,CC1C2C3CC3CNC(=O)CN12,1,GDB ChEMBL
15518,CCCC(N)(CC#N)C(CC[NH3+])S(=O)(=O)NC,0,GDB ChEMBL
66177,C#CCC(C)C1CC(C[NH2+]C)C(CO)CC1C,0,GDB ChEMBL
375546,CC#CC1=C(C)CCCC=CC1OC(C)=O,0,GDB ChEMBL
361608,Cc1c(CC([NH3+])CCC(C)C)c(F)c[nH]c1=O,0,GDB ChEMBL
325235,CC1C(CC(C)C(C)(C)C#N)=CC[NH+]1C,0,GDB ChEMBL
108180,COCC(C#N)(C[NH3+])C(=O)[O-],1,GDB ChEMBL
285540,NC(=[NH2+])CC(=O)N1CC(CO)OC1=O,1,GDB ChEMBL
298031,CCCC(C)C1C=C(C)C(C)CC(C)C1,0,GDB ChEMBL
299606,NC1C([NH3+])C1(CO)N1CCNC1=O,0,GDB ChEMBL
45961,COC12CC(NC(=O)C1CO)C1N=C(N)OC12,0,GDB ChEMBL
370371,CC1OC(=N)NC(=O)C1C,1,GDB ChEMBL
56665,CC1(C[NH3+])CCC[NH2+]CC(C[NH3+])C1C#N,0,GDB ChEMBL
36030,C#Cc1cnc(C(N)=O)c(CO)c1[N+](=O)[O-],1,GDB ChEMBL
348644,C[NH2+]C(C(=O)[O-])C1(N)C[NH2+]C(CCC[NH3+])C1N,0,GDB ChEMBL
301187,C[NH2+]C1CC2CC2OCCOCC1N,0,GDB ChEMBL
253587,NC(=O)C12CNC(=[NH2+])CCC1NC(=O)O2,0,GDB ChEMBL
297297,C#CC1(C)OC(=O)C1NCCC,1,GDB ChEMBL
197475,C#CCC1C(C2CC2[NH2+]CCC)=CCC1C,0,GDB ChEMBL
189842,CCCCC1CC2(C(C)C)CC1C(C)C2CC,0,GDB ChEMBL
124536,CC(CO)C1C(C[NH3+])CNS1(=O)=O,0,GDB ChEMBL
165949,CCCC(C)CC1CCC(C)(C)C2CC12,1,GDB ChEMBL
182512,O=C([O-])COC1C2C3NC3C12,0,GDB ChEMBL
353211,Cc1ccc2c(c1)C1C3CC4C2C4C31,0,GDB ChEMBL
11362,CCC(C)N=C1CC(=O)CC(C)N1C(=[NH2+])NC,0,GDB ChEMBL
5280,CCN1C(=O)C(CC[NH3+])N=C1N1CC1,0,GDB ChEMBL
64319,CCOCCC(CCO)C(C)=O,1,GDB ChEMBL
389477,O=C1CC2CNC(=O)[C-]1C(=O)O2,0,GDB ChEMBL
238538,C[NH2+]C1CC([NH3+])C2CCC1OC2=NCC#N,0,GDB ChEMBL
160962,CCCC(C)CCOC(C)C,1,GDB ChEMBL
338586,C#CC1=CCC(CC(C)CC)C2(CC1)CC2,0,GDB ChEMBL
41091,CCn1ncc(C)c1C1C2C[NH2+]C1C2,0,GDB ChEMBL
353275,CC1(C([NH3+])C(O)CO)C(C(N)=O)C1(N)C[NH3+],0,GDB ChEMBL
379264,NC(=O)c1nc(O)nn1CCCO,1,GDB ChEMBL
281988,CN1CC1CC(O)C(=O)NC(=O)NC(=N)N,0,GDB ChEMBL
356856,[NH3+]C(C(O)CN1CC1)C(CO)C(=O)[O-],0,GDB ChEMBL
208347,Cc1cc2c(I)ccc(C)c2o1,1,GDB ChEMBL
79525,CC1CCC2(C)CCC(C)(O)C12,1,GDB ChEMBL
380342,Cc1ncc(CO)nc(O)ncnc1C(N)=O,0,GDB ChEMBL
148522,COC(C(C)CO)C1C(C)C1c1cccs1,0,GDB ChEMBL
288737,O=CCNC(=O)C1CC2(COC2)CO1,0,GDB ChEMBL
263819,COCC1NC1CNC(N)=[NH2+],0,GDB ChEMBL
80347,CC(=O)[N-]S(=O)(=O)c1cnc(C[NH3+])nc1Br,0,GDB ChEMBL
181550,N#CC1OCC[NH2+]C(C(=O)[O-])CO1,1,GDB ChEMBL
173992,CC[NH+](C)C1C(O)C2CCC1(C)C(N)=[NH+]2,0,GDB ChEMBL
235487,CCC1NC(=O)C(N)C(C[NH2+]C)(C(C)O)C1C,0,GDB ChEMBL
34913,N=C(N)NC(=O)C(CC[NH3+])C1CN1,0,GDB ChEMBL
191322,CCC1([NH3+])CCC(C(C)(C)CCC(C)O)CC1,0,GDB ChEMBL
79321,O=C1NCC2C1C1(O)CN2C1,0,GDB ChEMBL
331173,NC(=O)C1C(O)C2CC(O)C1NS(=O)(=O)C2,0,GDB ChEMBL
161092,CC(C)C1NC(=[NH2+])OC(C(=O)[O-])CC1NC=O,0,GDB ChEMBL
210421,N#CC1(O)C(=O)[N-]C2COC1C2O,0,GDB ChEMBL
174175,CCC1CC2CC2CC[NH2+]C1C,0,GDB ChEMBL
274636,CCCC(C)C1C(C)=CCC1(C)CC1CC1,0,GDB ChEMBL
232095,CCC1COC(C2(C)CC2)C1,1,GDB ChEMBL
242957,NS(=O)(=O)CC12CNC1C(=O)C(=O)N2,0,GDB ChEMBL
252535,CC#CC1C(CCC)C(=O)C1COC,0,GDB ChEMBL
77795,CC1CC2C(C)(C)C(C1)C2(C[NH3+])CO,0,GDB ChEMBL
40320,C=C(C)c1cccc(C2CC2C)c1,1,GDB ChEMBL
203843,CNC(=O)c1cc(C=O)scncc([O-])c1O,0,GDB ChEMBL
115578,CC12NC(=O)C([NH3+])C1(C)C2O,0,GDB ChEMBL
51841,C=C(C)C1OC(=O)C2C([NH2+]C)CC12,0,GDB ChEMBL
29792,NC(=O)C1[NH2+]C2CN3CC2C12CC32,0,GDB ChEMBL
236615,C=CC1C(C)CC2CCCCCC21,0,GDB ChEMBL
95153,CC#Cc1cc(CCCC(C)[NH3+])cs1,0,GDB ChEMBL
281192,Cc1cc2c(NC(N)=[NH2+])n[nH]c2c(N)n1,0,GDB ChEMBL
140334,NC(=O)NCc1cn(CCO)cn1,1,GDB ChEMBL
234962,NC(=O)C1CC23CN1C2CO3,0,GDB ChEMBL
101055,Cc1cccc(NC(=N)CCC(=O)NC=O)n1,1,GDB ChEMBL
115180,CC12CC3C=CC1C3CCC2=O,1,GDB ChEMBL
383699,CC1(O)C(N)=NC(C(=O)NC(=N)N)C1N,0,GDB ChEMBL
251827,CC1(C)CCN(C(N)=O)C2CC2CC1=O,0,GDB ChEMBL
279104,CNc1cc(OC)c(C)cc(C)sc(N)n1,0,GDB ChEMBL
350899,CC1=CC(O)C(CO)[NH2+]CCC1O,0,GDB ChEMBL
202816,CC(CN1CC1C(=O)[O-])OS(N)(=O)=O,0,GDB ChEMBL
62551,CC(CCCO)(CC1(O)CCC1)C(O)CO,0,GDB ChEMBL
16774,C#CC(C#C)(CC(C)(C)[NH3+])C([NH2+]C)C(C)C,0,GDB ChEMBL
258298,C#CC1CC1(C)OCCCCCC(C)C,1,GDB ChEMBL
101048,CCCCNC(=[NH+]C)OCC,0,GDB ChEMBL
97155,CC([NH3+])C12CN(CC(=O)N1)C2C(=O)[O-],0,GDB ChEMBL
338108,Fc1ccc(CC2CCC2)cc1,1,GDB ChEMBL
301527,O=C([O-])CC1N=COCC1O,0,GDB ChEMBL
215689,CCCC(Cc1ccccc1)C(C)(C)C(C)C,1,GDB ChEMBL
235564,C#CCC(CC)[NH+](CC)C1CC1C,0,GDB ChEMBL
70950,CCCCCC(CC)C1CC(C)(C)CCC1=O,1,GDB ChEMBL
53271,CC([NH3+])(CCOc1csc(N)n1)C(=O)[O-],1,GDB ChEMBL
135428,Cc1c(O)nn2c1COCC2,1,GDB ChEMBL
81576,CC[NH2+]CC1C=CC(=O)C1,0,GDB ChEMBL
175538,CC(CO)C1C2OC2C[NH+]1C,0,GDB ChEMBL
84220,CCC(=O)OC1CNC(C)(C)C[NH2+]C1,0,GDB ChEMBL
296278,CC1CC(=O)OCCC2(C#N)CN1C2,1,GDB ChEMBL
387041,C#CCC(CC#C)CC1CC(C)CC(C)(C)C1,0,GDB ChEMBL
218360,CC12CCCC(Oc3ccc(O)nc3C1)C2O,0,GDB ChEMBL
159850,COC12CC[NH+](C1)C(C)CC(C)C(=O)C2,0,GDB ChEMBL
318157,CC(O)C[NH2+]CCC1(CO)OC(=N)CCC1=O,0,GDB ChEMBL
163355,COc1cnc(C)c(F)c1N,1,GDB ChEMBL
331702,NC(=O)N(CCO)CC(O)C([NH3+])C1COC1,0,GDB ChEMBL
347990,N=C1OCCCCC1CO,1,GDB ChEMBL
195419,CCCCC(C)C1C([NH3+])C2CC1C1(CC1)C2,0,GDB ChEMBL
70919,CCC1CCCC(CC#CCCO)C2C[NH+]12,0,GDB ChEMBL
151207,C[NH2+]C1C2NC(=O)CCC23COCCOC13,0,GDB ChEMBL
157064,CNC(=O)C1CC2CCCC2C2CC1CC2=O,0,GDB ChEMBL
195525,O=CC1=CC=CCc2ccc(F)c(c2)C#C1,1,GDB ChEMBL
93725,CC1CC2OCCCCNC2C(=O)OCCO1,0,GDB ChEMBL
76098,CNC(=O)C(O)C([NH3+])C(O)CC(C)OC,1,GDB ChEMBL
358472,CS(=O)(=O)N1CCC(CO)OC(CO)C1=O,1,GDB ChEMBL
238152,CC1NC2CCOC2CC(O)C1[NH3+],0,GDB ChEMBL
147960,CC1OCC23CC4C1CC2C[NH+]4C3,0,GDB ChEMBL
132220,CC1=CC2(O)CC(C2)OC(=O)CCOC1=O,1,GDB ChEMBL
132329,CCCC(O)C1CC2(C)CC2C[NH2+]C1C,0,GDB ChEMBL
200715,COC1CC([NH3+])C2C(N)C(=O)OC12,0,GDB ChEMBL
348597,CCC(CO)[NH2+]CCCO,1,GDB ChEMBL
255988,CC1(O)C=C(C(=O)NC(N)=O)C([NH3+])C1,0,GDB ChEMBL
191518,C[NH2+]C(C(N)=O)C1C2C(=O)NCC21[NH3+],0,GDB ChEMBL
375840,N=C1NCC(O)C(C(=O)[O-])CNC(=O)N1,0,GDB ChEMBL
87036,CCC(=O)N(C1=NCCC1)C1CNCC1=O,0,GDB ChEMBL
80485,CC1(C)C2CC=CCCCC1[NH2+]C2,0,GDB ChEMBL
152492,C#CC1C2OCC([NH2+]CCCO)C12C,0,GDB ChEMBL
240445,CC1C(=O)NC2CC(O)CC21O,0,GDB ChEMBL
5999,C[NH2+]C1CC2(C)CC(OC)(C1)C(O)C2O,0,GDB ChEMBL
67868,CCOC1C(O)CCC([NH3+])C1N,0,GDB ChEMBL
321841,C[NH+]1CC(O)CC1C(N)C[NH3+],0,GDB ChEMBL
132670,CC(CCCC1CC1)C1C(C)C1C,0,GDB ChEMBL
325719,[NH3+]CC12C(=O)NC(=O)C(C1O)C2O,0,GDB ChEMBL
235600,N#CCNC(=O)C1COC(NC=O)=N1,1,GDB ChEMBL
71968,C=CC(C)CC[NH2+]C(C=C)C(C)=O,0,GDB ChEMBL
383695,COC(C=O)C1CC1CCO,1,GDB ChEMBL
269179,CCC1=CC=C(CCOC)CC1=O,1,GDB ChEMBL
29718,NC(=O)C(N)=NCC(OCCO)C(=O)[O-],0,GDB ChEMBL
291893,CC1(O)CC2OC1C(O)C(=O)NC2=O,0,GDB ChEMBL
130248,CC(=O)C1(O)CCC(O)C2C(=O)NC(=N)C21,0,GDB ChEMBL
230241,CC(=O)CCCCCCC1(O)CC1,1,GDB ChEMBL
61789,CCc1c(C[NH3+])cnc(C)c1CC,0,GDB ChEMBL
230413,N#CC1CNCC([NH3+])C(O)C(O)C1O,0,GDB ChEMBL
341870,COC(=O)C1(C#N)CC(C)[NH+]=CNC(N)=N1,0,GDB ChEMBL
54772,COCCC(C#N)OCC1=CCCC1,1,GDB ChEMBL
159913,CC1C2OC(=O)NC2C(=O)N1C,1,GDB ChEMBL
366023,CC1OC(=O)CS(=O)(=O)[N-]C(=N)C1O,0,GDB ChEMBL
37128,CCCC#Cc1nc(CC[NH2+]CC)cs1,0,GDB ChEMBL
280719,NC(=O)N1CC(N)C(=O)NC(=O)C(N)C1,0,GDB ChEMBL
259470,CC(Cc1nocc1N)NC(=O)OCC(N)=O,1,GDB ChEMBL
392258,CCCCC(C=NO)C(=O)CCCC(C)O,1,GDB ChEMBL
37106,CS(=O)(=O)NC1C(O)C(O)C(O)C1C=O,1,GDB ChEMBL
255455,CCC1(C[NH2+]C2COC3(C)CCC2C3)CC1,0,GDB ChEMBL
271825,Cc1ccc(C(O)C=O)cc1C(C)C1C[NH2+]1,0,GDB ChEMBL
182248,COCC1C(O)C(CNC(N)=O)C2CCOC12,0,GDB ChEMBL
141776,CCc1cc2c(cn1)OC(C)(C)CC2,1,GDB ChEMBL
299745,CCCC1CC2CC(C)(CC)C1C=C2C,0,GDB ChEMBL
304111,C#CCC1CCC(C(C)CCC)C(C)(C)C1,0,GDB ChEMBL
83068,CCCNC1(C=O)CC[NH2+]C1COC,0,GDB ChEMBL
228880,CC(CCO)C1C2CNC1(C#N)C(C)C2,0,GDB ChEMBL
292701,CCC1CCC=C(CC[NH3+])C2CC12,0,GDB ChEMBL
6815,CC(C)C(=O)C1(C)C=CC2CC1C[NH+]2C,0,GDB ChEMBL
391482,C=CC1C(C)CCC1(C)OCCC,1,GDB ChEMBL
272539,[O-]c1cocnccnc1NC1CCOCC1,0,GDB ChEMBL
292690,C#CCC(=O)OCC(=[NH2+])NC1(C)COC1,0,GDB ChEMBL
9762,C#CC[NH2+]C1(C)COC1,0,GDB ChEMBL
115559,COc1nccnc1CC(=[NH2+])NC(C=O)CO,0,GDB ChEMBL
135809,CCOC1C=CC=C(C)CCCC12CCC2,0,GDB ChEMBL
62560,Cc1c(O)cn2ccc(Br)cc12,1,GDB ChEMBL
301525,CC1OC(=[NH2+])NCC2CC(O)C(O)C21,0,GDB ChEMBL
350313,CCOC(=O)C[NH+]=C(N)CN,0,GDB ChEMBL
372765,CC1(OC(=O)CN)C(O)CCNC=[NH+]C1CO,0,GDB ChEMBL
148537,CC1CC2CCC1C(C1C=CCC1)C[NH2+]C2,0,GDB ChEMBL
33893,C#CC1(CCOC)CNC(=[NH+]C)N1,0,GDB ChEMBL
27801,CCC1C(C2CC=CC2)C(C)[NH2+]CC12CC2,0,GDB ChEMBL
147558,CNC(=O)C1N=C(N)C2(C(C)O)COC1C2O,0,GDB ChEMBL
362169,CC[NH+]1CC2C(C)=CCC2(C)C1,0,GDB ChEMBL
333126,CCCC=C(C)CC(C)CC(C)C,1,GDB ChEMBL
27962,O=C1NCC=CC2C(CCO)N12,0,GDB ChEMBL
248888,CC(C)[NH2+]C1C2CC2C2CC21,0,GDB ChEMBL
222194,NS(=O)(=O)OCc1cc(O)ncn1,1,GDB ChEMBL
307998,CCCCC12CCC=CCC(C)(C1)[NH2+]C2,0,GDB ChEMBL
56609,CC1(C)OCCC1C(F)(F)F,1,GDB ChEMBL
9725,CC1CC2C[NH2+]CC2(C#N)C1N,0,GDB ChEMBL
226238,Cc1cc(C(N)=O)c(CNCC=O)s1,1,GDB ChEMBL
77810,CC(CCO)C1CC(C)(C)C[NH+]2CC2C1C,0,GDB ChEMBL
95939,OCC1CCC(O)CC2CN2C1,0,GDB ChEMBL
53297,CCNC(=O)C1CN1C=O,1,GDB ChEMBL
301524,NS(=O)(=O)CC1CCN1C(=O)C[NH3+],0,GDB ChEMBL
276172,CC1CCC(NC(=O)C2C[NH2+]C2)=[NH+]1,0,GDB ChEMBL
222596,CCC(=O)N1C(=O)CC(CC)CC12CCC2,0,GDB ChEMBL
49116,CC1CC23CCCC[NH2+]C2(C1)C3,0,GDB ChEMBL
112028,NC(=O)CNc1cnc(O)c(N)c(N)ncs1,0,GDB ChEMBL
79574,Cc1c(C(=O)[O-])nsc1S(N)(=O)=O,0,GDB ChEMBL
160996,C#CC(O)(C(=O)[O-])C1OC(C)CC1O,0,GDB ChEMBL
173836,CCS(=O)(=O)NC(C[NH3+])C1(CC[NH3+])CN1C,0,GDB ChEMBL
313703,CC(C)C(CO)CC1OC(=O)OC1C(N)C#N,0,GDB ChEMBL
332686,C[NH+]1C2CC=CCCCCCC21C,0,GDB ChEMBL
391273,COC(=O)C(C#N)OCCO,1,GDB ChEMBL
203801,C[NH2+]C1C2(CS(N)(=O)=O)CC(C[NH3+])C1(O)C2O,0,GDB ChEMBL
210951,CC(O)C1CC2CC(C[NH3+])C1C2,0,GDB ChEMBL
94736,CCCc1ccccc1C(CC)(CC)C(C)O,1,GDB ChEMBL
125564,CC(=O)N1C=C(C(C)(C)C)CC1C#N,0,GDB ChEMBL
210179,CN1C(=O)CC2C1C([NH3+])C1OC21C,0,GDB ChEMBL
175530,COC1C(C)C1[NH+]=C1NCCCN1CCN,0,GDB ChEMBL
192612,NC(=O)OCCOC(CO)CC([NH3+])CC[NH3+],0,GDB ChEMBL
16034,C=C1C(=O)NCCC1[NH+]1CC=CC1,0,GDB ChEMBL
132501,COCCC12C(O)CC1(C)C[NH2+]C2CO,0,GDB ChEMBL
244596,COC1C(C)C(C)(C)C1C,1,GDB ChEMBL
13790,C=CC1(O)CCCC(CCC)CC1,1,GDB ChEMBL
232055,C[NH2+]CC(N)C(OC1CC1C)S(N)(=O)=O,0,GDB ChEMBL
255479,CCc1cn(CCC(=O)C(C=O)CC)nn1,1,GDB ChEMBL
300476,COC1CN(C)C(=[NH2+])C(C2OCCO2)C1N,0,GDB ChEMBL
31757,CN1CC2(C[NH3+])CC1C(C)(C1COC(=O)C1)O2,0,GDB ChEMBL
288525,CCC1CC2[NH2+]C(C)CCCOC2C(=O)C1C,0,GDB ChEMBL
376959,C[NH2+]CC(NC(N)=[NH2+])c1csc(N)n1,0,GDB ChEMBL
279081,Cc1cc(C#N)c(OC(=O)NCCO)c(=O)s1,0,GDB ChEMBL
31085,CN1CC1C1C(=O)NC(C(=O)[O-])C1[NH3+],0,GDB ChEMBL
203290,Cc1[nH]nc(CC#N)c1CO,1,GDB ChEMBL
343963,CCCC#CC1C[NH+](C(C)C)C1,0,GDB ChEMBL
291904,Cc1c(Cl)cc(C(C[NH3+])COCC[NH3+])cc1Cl,0,GDB ChEMBL
227525,COC1C2CCC(CO)(C([NH3+])C2)C(C[NH3+])C1C,0,GDB ChEMBL
217092,COC1OC(CC(=O)[O-])C(O)C1=O,1,GDB ChEMBL
17553,CCC(C)C(OCC[NH3+])C1(C[NH2+]C)CO1,0,GDB ChEMBL
354437,C#CCOCC1=CCC[NH2+]CCCC1,0,GDB ChEMBL
229423,CC(C)C1COC1CCO,1,GDB ChEMBL
382985,CCc1scnc1NC(C)C(=O)[O-],1,GDB ChEMBL
215659,CCC(C(N)=O)C1C2COC(=N)C21,0,GDB ChEMBL
362706,[NH3+]CCC(CC(O)CO)NS(=O)(=O)CO,0,GDB ChEMBL
77244,CC(N)C(=O)OC1C[NH+](C)C23CCCC2C13,0,GDB ChEMBL
73285,CC(C)(c1ccccc1)C12CC=CC(C1)C2,1,GDB ChEMBL
307903,CC1CC2([NH3+])COC2C1[NH2+]CCO,0,GDB ChEMBL
328943,CC1(C)N=C(N)NC(=O)C1N,0,GDB ChEMBL
115407,C=C1CCC2C(CCC)COC2C1,1,GDB ChEMBL
225227,C[NH+]=C(N)NC(=[NH2+])NCC1NC(=O)NCC1O,0,GDB ChEMBL
281668,CC1=CCCC2CCCC(C)(CC(C)C1)C2,0,GDB ChEMBL
275650,Nc1noc([O-])c1S(=O)(=O)[N-]C(=O)CC[NH3+],0,GDB ChEMBL
300728,CC1OC1C(CO)C([NH3+])C(=O)NC(=N)N,0,GDB ChEMBL
307868,CCC12COCCCC(=O)C1C2,1,GDB ChEMBL
274871,CC1=CC(C)C(O)CC(O)CC(CC[NH3+])C1,0,GDB ChEMBL
352592,C[NH2+]Cc1[nH]nc2ccc(F)c(CCCO)c12,0,GDB ChEMBL
214751,CCCC1(C)CC2[NH2+]C1CNC2C=O,0,GDB ChEMBL
150144,CC(=O)NC1CC(N)(C[NH3+])C(O)C1C#N,0,GDB ChEMBL
337092,COC(C)C(=O)CNC(=[NH2+])CCC(N)=O,0,GDB ChEMBL
277702,CC12CC(CO)CN1C(=[NH2+])OC(CO)C2,0,GDB ChEMBL
211143,CC(O)CC1[NH2+]CCN2CC12,0,GDB ChEMBL
351405,CC(O)CCCCC(C)(C)C1CC1,1,GDB ChEMBL
301165,CC1COC(=O)C2CC(=CN2C=O)C1,0,GDB ChEMBL
60969,CCc1nc(Br)c(Br)cc1COC(C)=O,1,GDB ChEMBL
270033,CCC(C)[NH2+]C1CC(C)C2CC2C(C)C1,0,GDB ChEMBL
227634,C#CCC(C#N)C(O)CO,1,GDB ChEMBL
115011,C[NH+]1CCC2c3ccsc3CCCC2(O)C1,0,GDB ChEMBL
341202,CCCC(C)CCC1(C)COC(C)OC1,1,GDB ChEMBL
173867,CC1C2C(=O)NCC(O)COC(=O)N12,0,GDB ChEMBL
81002,[NH3+]C1CCCc2cccc(Cl)c2CC1,0,GDB ChEMBL
197093,N=C1NC(=O)C(CN)(CN)N1C(N)=[NH2+],0,GDB ChEMBL
70806,C#CC1(C(N)C[NH+](C)CC)C=CCN1,0,GDB ChEMBL
397042,CC1CC(OCC(N)=O)C[NH2+]1,0,GDB ChEMBL
79261,CCCCC1CC2CCCC3C(C)CCC23C1,0,GDB ChEMBL
181628,CC(C)(C)C1(C(=O)[O-])COC(=O)CN1,0,GDB ChEMBL
289384,CCc1nc(F)ccc1NC,1,GDB ChEMBL
101482,CCC12CCCC1C(CCCOC)C2,0,GDB ChEMBL
79284,CCN(CC)C(=O)NCC1OC1C=O,1,GDB ChEMBL
146017,CC1C2CC(CO)[NH+]1CCC(C)([NH3+])C2O,0,GDB ChEMBL
104620,[NH3+]C1C(O)CC(=O)OC1C1COCO1,0,GDB ChEMBL
340464,CC1C2CC(C([NH3+])C1C(=O)[O-])S(=O)(=O)N2,0,GDB ChEMBL
202827,CC(C=O)NCCN(CC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
116080,CC1CCCCC2(C)C(C1)C2C(F)(F)F,0,GDB ChEMBL
351410,CCCCCC(C)C1C=CCCC1(C)C,0,GDB ChEMBL
115162,C#CC1CC2COC1C[NH2+]2,0,GDB ChEMBL
170248,[NH3+]C1CCCC2CCC(C1)CC1CCCC1[NH2+]2,0,GDB ChEMBL
22613,CCCC1C[NH2+]C2(C)CC([NH3+])CC(C1)C2,0,GDB ChEMBL
80262,NC1CC2NC(=O)C(O)C2OC1=O,0,GDB ChEMBL
127672,NC(=O)c1oncc1C([NH3+])C(O)CNCC[NH3+],0,GDB ChEMBL
215364,Cc1ccc2c(N)c(C)oc2n1,1,GDB ChEMBL
28224,CCC1CC2C3CCC2[NH+]1C(C)C3,0,GDB ChEMBL
297292,C[NH2+]C(C(=O)[O-])C1(C[NH3+])CC(O)CC2OC21,0,GDB ChEMBL
307470,NC(=O)Nc1snnc1C1CC1C(=O)[O-],0,GDB ChEMBL
50254,CC1CCC(C[NH3+])CC2OC(C)CC2(C)[NH2+]1,0,GDB ChEMBL
385438,CN=COc1ccncn1,1,GDB ChEMBL
222107,CC12C[NH2+]CC3(C)CC1CCC3C2,0,GDB ChEMBL
48054,CC1CC#CCCCCC(C)C(C)CCC1,1,GDB ChEMBL
390475,COC12C(N)=[NH+]C3CNC(=O)C(O)(CC1C)C32,0,GDB ChEMBL
225069,NC(=O)C1NC(=O)N2CC(=O)C2C1O,0,GDB ChEMBL
350276,NC(=O)C12C3CNS(=O)(=O)C1C([NH3+])CC32,0,GDB ChEMBL
350294,O=C1NC2C(=O)CNC1C(O)C1CC21,0,GDB ChEMBL
119801,CC1=CCCCC(O)C=CC1(C)CC(C)C,0,GDB ChEMBL
129840,O=C([O-])C(=O)C1N=CNC1CO,0,GDB ChEMBL
135788,[NH3+]CC1CC2C(=O)NCC2O1,0,GDB ChEMBL
20746,N#Cc1c(C(=N)N)c(N)nn1CCOC=O,1,GDB ChEMBL
259503,CCC1OC(S(=O)(=O)[O-])C(C(=O)[O-])C1O,0,GDB ChEMBL
230465,CCCC1C2CC(C)(C)C3CCCCC3C12,0,GDB ChEMBL
274398,Cc1ccc(CC#N)nc1,1,GDB ChEMBL
298097,COc1cc(C)c(C)c2c1COC1CCC2C1,1,GDB ChEMBL
127464,CCCC(C)(C#N)Cc1cc(Br)cc(N)c1C,1,GDB ChEMBL
107857,CCC(CCCO)C1CCC1C,0,GDB ChEMBL
387066,CCCCC1CC2CC=C(C3CC3)CC2C1,0,GDB ChEMBL
180970,N#CC1=Cc2cc(F)ccc2OCC1,1,GDB ChEMBL
9853,N#CC1CC2C([NH3+])C2CCN1,0,GDB ChEMBL
173872,[NH2+]=C1CC(C(C[NH3+])NC(=O)CO)N1,0,GDB ChEMBL
71988,COC1CC2CC=CC1C[NH2+]C2(C)C,0,GDB ChEMBL
367766,CC1=CCC2CCC(C)CC12,1,GDB ChEMBL
269158,CCC(CC(C)C)c1c(Br)c(Br)cc(Br)c1Br,1,GDB ChEMBL
340562,CC(C)(O)C(=N)N1CC=CC(C(=O)[O-])C1=O,1,GDB ChEMBL
107006,[NH3+]Cc1ccc2c(c1)CC([NH3+])C2CO,0,GDB ChEMBL
194480,CC1c2ccn(C)c2CC1(CO)CC(F)(F)F,0,GDB ChEMBL
292335,COC1CCC(O)C2C(=O)C(CN2C)C1=O,0,GDB ChEMBL
26929,O=C1NC(=O)C(=NO)C(O)CCC(CO)O1,0,GDB ChEMBL
309802,[NH3+]CC(O)C(NCCO)c1cocn1,0,GDB ChEMBL
135429,CC(=O)NCC#CC1(N)C(O)C1C(C)[NH3+],0,GDB ChEMBL
255429,CCC[NH+]1CCCCC(CO)CC(C)CC1C,0,GDB ChEMBL
379204,CCC(C(C)C)C1CC2CCC[NH+](CC2)C1,0,GDB ChEMBL
93786,Cc1ccnc(COCCC#N)c1I,1,GDB ChEMBL
374332,NC(=[NH2+])N1C2C(O)CNCCS(=O)(=O)C21,0,GDB ChEMBL
252677,[NH3+]C1C(=O)NC(CC(O)C2CNC(=O)N2)C1O,0,GDB ChEMBL
24301,CC1(O)CC(C(=N)NC(N)=O)C1,1,GDB ChEMBL
306398,CC1C2C13OC(=O)NC(=O)C3N(C)S2(=O)=O,0,GDB ChEMBL
68648,NC(=O)C(O)CN(CCO)C(N)=O,1,GDB ChEMBL
306318,CN=C1OC(=O)C2C[NH+](C)C1C2(C)O,0,GDB ChEMBL
346847,C[NH+]=C(N)NC(C)(C#N)C(N)C(O)C([NH3+])CO,0,GDB ChEMBL
230469,C#CC1C2C[NH+](C(C)C2C(C)CO)C1CC,0,GDB ChEMBL
254931,CCC1CC2C(=O)NC(=O)C(=O)CNC2C[NH2+]1,0,GDB ChEMBL
70286,C#Cc1ccc(OC(=N)C(C)C)c(C#N)c1Br,1,GDB ChEMBL
244670,Fc1cc(F)c(C2=CCCC2)c(F)c1F,1,GDB ChEMBL
234399,[NH3+]C1C2OC(COC2CO)C1C(=O)[O-],0,GDB ChEMBL
350289,NC(N)=[NH+]CC1(CO)CC(=O)OCCCO1,0,GDB ChEMBL
280689,CCCC(C[NH3+])CCCC#CC(C)(C)CC,0,GDB ChEMBL
285096,CC1(C(N)C[NH3+])COC(=O)N1,0,GDB ChEMBL
284679,CC1C=CCCCC(=CCO)CC1,1,GDB ChEMBL
259428,CCNC(=O)C1C[NH2+]C2C(O)C(=O)CC1C2O,0,GDB ChEMBL
118179,Cc1c(F)cc2c(c1C)C(C)C1CC21,1,GDB ChEMBL
173685,COC1(C[NH3+])CC2C[NH2+]C1C2C,0,GDB ChEMBL
357619,C[NH+](C)C1CC(CO)C(C(O)C(N)C(N)=[NH2+])C1,0,GDB ChEMBL
62557,CCC12C[NH2+]CC(C(C(C)C(C)[NH3+])OC1)N2C,0,GDB ChEMBL
210967,CC(C)[NH2+]CC1(C)CCOC(CC(C)(C)C)C1,0,GDB ChEMBL
20776,CC([NH3+])CCC1C=CCC=CC1,0,GDB ChEMBL
114748,O=C1CCOc2csc(n2)C2CCN1CC2,1,GDB ChEMBL
119417,CCC1NC(=O)CC(C)C1(C)C#N,0,GDB ChEMBL
203133,Nc1cc(C=O)cc2[nH]nnc12,1,GDB ChEMBL
277841,CC1COCC(=O)OC(C)OC(=O)NC(=O)C1,1,GDB ChEMBL
219529,O=C1NCC2CS(=O)(=O)CC3[NH2+]CC23CO1,0,GDB ChEMBL
334646,NC1(CO)COC1C(=O)N1CC([NH3+])C1,0,GDB ChEMBL
358902,CN1CC2(C)Cc3cccc(O)c3C2C1C#N,0,GDB ChEMBL
181376,CC(O)CC1([NH3+])CCCCCC1C(F)(F)F,0,GDB ChEMBL
222049,CCC(C)(O)C1CCC(C=O)[NH2+]1,0,GDB ChEMBL
251469,CCC1(O)C(C[NH3+])C1C(=O)NC,0,GDB ChEMBL
328846,COC(C)CC([NH+]=C(N)N)C(CO)OC=N,0,GDB ChEMBL
352630,C#CC[NH2+]C(CO)C(O)C(O)C1OC1C[NH3+],0,GDB ChEMBL
48742,CCC1C(c2ccccc2)C1C1CC1,1,GDB ChEMBL
70922,CC(OS(N)(=O)=O)C1C(=O)NCCC2CN21,0,GDB ChEMBL
196757,CCC(O)C(C(N)C1(C(=O)[O-])CN1)[NH+](C)C,0,GDB ChEMBL
190056,CC(O)C(C#CC1CC1)CC(C)(C)C(C)C,0,GDB ChEMBL
304364,CC#CC1(C)C[NH2+]C2CN(CC)CCC21,0,GDB ChEMBL
58466,COC1(C(CC(C)C)=N[O-])C=C(C)NC1=O,0,GDB ChEMBL
368541,CC[NH2+]CC1NC2=NCC(CC(C)C1(C)C)O2,0,GDB ChEMBL
100732,N=C1NCC(c2ccc(F)nc2C=O)CC1=O,0,GDB ChEMBL
15994,CCc1c(C)cc(Cl)c(O)c1CC,1,GDB ChEMBL
374381,COC1CC2CCCCCCC1C(C)(C)C[NH2+]2,0,GDB ChEMBL
113606,CC([NH3+])C1C(C)CCC1(CCC#N)CC(=O)[O-],0,GDB ChEMBL
227911,CCCC1(C)CC2CC(C)C(C)(C)[NH+](C2)C1,0,GDB ChEMBL
83029,Cc1cccnc1C1CC[NH2+]C1,1,GDB ChEMBL
179296,CC1OCCN2CC([NH3+])C3C1C32,0,GDB ChEMBL
118159,CCC1C(C)OC2C1C2(C)OC(C)=O,0,GDB ChEMBL
132833,CCCC1CC1C(C)(C)O,1,GDB ChEMBL
397947,CC1NC(C(N)=O)C(=O)C1(O)CO,0,GDB ChEMBL
309813,CC1CCCC(n2cc3c(c2)N(C)C(C)C3)C1,0,GDB ChEMBL
201701,CC1Cc2ccc(C[NH3+])c(F)c2C(C(C)C)C1,0,GDB ChEMBL
22581,C[NH2+]C1CCC2CCC(C2)C1(C)C,0,GDB ChEMBL
190818,N#CC1OC(=O)C2NC1C(O)C2O,0,GDB ChEMBL
181684,N#CC12CC(CO)CC(C1O)N2C(N)=[NH2+],0,GDB ChEMBL
209481,NC(=O)c1cccc(N)ncccncsc1,0,GDB ChEMBL
300255,CC(O)CC1C(C)NC(=O)N2CC12C[NH3+],0,GDB ChEMBL
39989,Cc1nc(I)cc2c1CC(CCC#N)N2,1,GDB ChEMBL
39728,CCC1C2=CCCC(C)CC2C2CCCC12,0,GDB ChEMBL
354758,N#Cc1cc(F)c(C(C=O)CO)cc1N,1,GDB ChEMBL
355360,CNC(=O)C1(O)C(C(C)[NH3+])CCCC1(C)[NH3+],0,GDB ChEMBL
252886,C1=CC2C3CCCC(C3)C1C1OC21,0,GDB ChEMBL
59625,CC(O)C(=N)OC(=O)C(N)CO,1,GDB ChEMBL
294495,C[NH2+]C1CC2CCC(C3(O)CCCC3)(C2)C1C,0,GDB ChEMBL
278152,CC1C(C)C2(C)CCC1(C)C2O,1,GDB ChEMBL
223499,C=CS(=O)(=O)N(C)C1C(=O)OC2CC21,0,GDB ChEMBL
288583,Brc1cc2c(c(C3CC3)c1)CCOCC2,1,GDB ChEMBL
108705,CCCC1=CCC=C2CCCC(C1)[NH+](C)C2,0,GDB ChEMBL
194437,CNC(=O)C1=CC(O)C[NH2+]C1,0,GDB ChEMBL
340132,COC1COC(CCC(C)CO)C1,1,GDB ChEMBL
259141,CC1(O)C(O)CC[NH2+]CC1CC(=[NH2+])NC(N)=[NH2+],0,GDB ChEMBL
252357,CCC(C1CNC(=O)C(=N)N1)C(O)C([NH3+])CO,0,GDB ChEMBL
184542,COC(=O)NC(=O)N(C(=N)N)C(C)=O,1,GDB ChEMBL
280321,NC(=O)N1C=CNC(=NCCCO)NC1=O,0,GDB ChEMBL
149337,CCc1cc(N)c(=O)[nH]cnccc1C,0,GDB ChEMBL
308199,CC1Cc2c(F)cc(CCO)c(C(C)O)c2C1,1,GDB ChEMBL
378609,CC(NC(N)=O)C(N=CNC=O)C(=O)[O-],0,GDB ChEMBL
339000,CCCCCOCCN=COCCC(C)[NH3+],0,GDB ChEMBL
71714,C[NH+](C)C(C)(C)C(CC(C)(C)C)C1CN1,0,GDB ChEMBL
121749,C#CCC1CC(C)C1c1c(C)cccc1I,0,GDB ChEMBL
259502,CC(=O)NCC(O)c1cn[nH]c1C(=O)[O-],0,GDB ChEMBL
186585,N#CC1CCC([NH3+])CCCO1,0,GDB ChEMBL
386501,CCOCC1(C(C)CC(C)C)CC(CC)C1,0,GDB ChEMBL
233940,CN1C(=O)C2C(O)CC(O)C([NH3+])C1C2[NH3+],0,GDB ChEMBL
348833,CCc1[nH]cnc1C#CCO,1,GDB ChEMBL
73832,[NH3+]CC(O)C1OCC(O)C1NC=O,0,GDB ChEMBL
7824,OCC1CCC2(COC2)C1,1,GDB ChEMBL
337797,CN1CC2C(C(=O)[O-])OC(=O)C2S1(=O)=O,0,GDB ChEMBL
309192,CC1CS(=O)(=O)CC=CC(=O)O1,1,GDB ChEMBL
358489,NC12C[NH2+]C(C1)C2NC(=O)CO,0,GDB ChEMBL
368399,CC1CC(C(O)CC(=O)N(C)C)[NH+]1C,0,GDB ChEMBL
347968,CC1C(=O)NCC1C(C)(C)C[NH3+],0,GDB ChEMBL
265523,CC(=O)C[NH+](C)CCC1CCCC1,0,GDB ChEMBL
25132,CC(C#CCO)C([NH3+])CS(N)(=O)=O,0,GDB ChEMBL
305527,CC1=CCC(O)(C(N)=O)C1,1,GDB ChEMBL
140325,CC(O)C1C=CCCC1CO,0,GDB ChEMBL
30334,CCC(C)C1CC(C)CC(C)CC1C,0,GDB ChEMBL
247526,C=CCCCC1C(CO)C1C(C)C,1,GDB ChEMBL
242639,CC1CC1C1CCC(O)C1(C)C,0,GDB ChEMBL
376640,Cc1csc(C)ncc2c(Cl)cc(C)cc2c1,0,GDB ChEMBL
196507,NC1=[NH+]C2CC(=O)C(CN(C=O)CCO)C2N1,0,GDB ChEMBL
124789,CN1CC(O)C2(C=CCO2)C1=O,1,GDB ChEMBL
112406,CC(=O)NC1=NCCC(O)C1=CN,0,GDB ChEMBL
351389,CCCCC(CCC)C1OC1(C)C(C)C,1,GDB ChEMBL
189777,C#CCC12C[NH2+]C(C1)C(O)C(CC(C)C)C2,0,GDB ChEMBL
291538,C[NH+]1CCCC2(CCCO)OC(CCC2=O)C1,0,GDB ChEMBL
151779,C[NH2+]C1CCC2CC(C)([NH3+])C(C(C)(C)O)C21,0,GDB ChEMBL
34376,C#CC1(N)C(=O)N(CC)C2CC[NH2+]C21,0,GDB ChEMBL
115057,C[NH2+]C(CN)C1OCC1(O)C(=O)NC(N)=O,0,GDB ChEMBL
199493,CCC1C[NH2+]C(C(C)(C)CCC#N)C(OC)O1,0,GDB ChEMBL
1931,CCCC1CC=C(CC)CC1C,1,GDB ChEMBL
37343,CC1C[NH+]2C3CCC(C3)C2C1C,0,GDB ChEMBL
299596,CC1(C)CC(C(N)=O)NC=CC1=NO,0,GDB ChEMBL
277799,C1[NH2+]C2CC3COCC1N3C2,0,GDB ChEMBL
301530,CCC1(O)C(CO)NC(=O)C1CCO,0,GDB ChEMBL
257463,C[NH2+]CC(C)(C#N)C1CC1(C)NC(N)=O,0,GDB ChEMBL
353944,C#CCC(C)(C)C(CC(C)C)C(C)(C)CC,0,GDB ChEMBL
210387,NC(=O)C1CC1C1(CO)CN1,0,GDB ChEMBL
362967,C#CCC(C[NH2+]C)CC1CC=C(C#C)C1,0,GDB ChEMBL
36150,CCCC(C)(C)[NH+]1CC2C(C)=CC1C=C2C,0,GDB ChEMBL
26402,Cc1nc(O)cc(C[NH+]=CNC(C)(C)C)c1N,0,GDB ChEMBL
215840,CC1=NC(C[NH3+])C(N)CC([NH3+])C(=O)N1,0,GDB ChEMBL
133324,C[NH+]1C2CCCCC1CC2,0,GDB ChEMBL
354351,CS(=O)(=O)Nc1ncc(N)cc1N,1,GDB ChEMBL
179273,CC1C2CC(CC[NH+]1C1CCNC1=O)C2O,0,GDB ChEMBL
98888,CCc1cc(C)cc(OCC(C#N)C=O)c1Br,1,GDB ChEMBL
259088,CCN(C=O)C1C[NH+]=C(N)OCC1=O,0,GDB ChEMBL
153258,Cc1ccc(C(C)C2(C)CCO2)c(O)c1,1,GDB ChEMBL
11694,CC12Cc3c(F)cncc3C1C2,1,GDB ChEMBL
359060,OCCC=C(CCO)C1CCCC1,0,GDB ChEMBL
157735,COCC1(C2=CCCC=CC=C2)C[NH+](C)C1,0,GDB ChEMBL
361665,CC(CO)NC(=O)c1[nH]c(N)cc1[N+](=O)[O-],1,GDB ChEMBL
358124,CC1=CC2CC3CNC(=O)C2C1O3,0,GDB ChEMBL
362693,CCc1c(COC)csc1NC,1,GDB ChEMBL
334701,CC1OC(C(=O)[O-])C(N)(C(N)C[NH3+])C1C(N)=O,0,GDB ChEMBL
16777,Cc1c(C2(C)C(C)C2[NH3+])ccc(N)c1F,0,GDB ChEMBL
273811,CC(CO)C1OC2C(C[NH3+])C2NC1=O,0,GDB ChEMBL
16783,[NH3+]CC(O)C1(O)C([NH3+])CC(=O)OC1CO,0,GDB ChEMBL
274832,CCc1cn(C(C=O)CC)c(=O)c(N)n1,0,GDB ChEMBL
214755,CC(C)C1(C)COC(=N)N(CCO)C1=O,0,GDB ChEMBL
228475,CCCC(CC)C1CC(C)C2CC21,0,GDB ChEMBL
13774,CC1CCCC[NH+]2CC2C1(C)C,0,GDB ChEMBL
70356,Cc1nc(NC(C=O)C(N)=O)c[nH]1,1,GDB ChEMBL
33162,CCC#CC1(COC)CCC1,1,GDB ChEMBL
305320,Cc1c(CO)ccc2c1CCC(C(C)(C)C)C2,1,GDB ChEMBL
68604,CC#CC1CC(c2cncc(Cl)c2)C1,1,GDB ChEMBL
268169,C[NH2+]C1CCC2=CCCc3cc(C)cc1c32,0,GDB ChEMBL
356799,C[NH2+]C1CN(C)C(=O)C1CCOC,0,GDB ChEMBL
99676,CC(O)CC(O)C1C[NH2+]C1C1CC[NH2+]CC1,0,GDB ChEMBL
72438,CC#CC(O)C(C)[NH2+]C(C)C,1,GDB ChEMBL
161985,CCOc1cc(OC(C)=O)[n-]c(=N)n1,0,GDB ChEMBL
13153,CCCC1C=CC(C[NH3+])CC(C)(C)C1CC,0,GDB ChEMBL
308151,CN(C)C(C#N)CC1C2CC=CC21C,0,GDB ChEMBL
203318,CC(=O)OC1C2C3CC(C)C(C3)C12,0,GDB ChEMBL
89706,Cc1c(Cl)cc(Cl)c2c1N(C)CC(C)C2,1,GDB ChEMBL
148888,C=CCNC(=[NH2+])N1C(=O)NC2CC21,0,GDB ChEMBL
261400,CCC1C2C=CC1C1(C)OCC[NH2+]C21,0,GDB ChEMBL
296300,CCCC1OCC(O)C1C,1,GDB ChEMBL
104614,CCCC1(O)CNC(=N)NC(=O)C1O,0,GDB ChEMBL
207921,CC#CCC1C(C)C=CCC1CC,0,GDB ChEMBL
296068,CC(CCO)CC1(C)COC1,0,GDB ChEMBL
97785,CCCCC(CO)OC(=N)NC(=O)CC#N,1,GDB ChEMBL
305583,CC(CN(CCCC=O)C(=O)NC=O)=NO,1,GDB ChEMBL
338831,C#CC1(C(CC)CC[NH3+])CCCCC(C)CC1,0,GDB ChEMBL
256151,N=C(NCC#CC[NH2+]CCO)C(=O)C(N)=O,0,GDB ChEMBL
67398,CN(CCO)C1(C(N)C[NH3+])C[NH2+]C(C(N)=O)C1,0,GDB ChEMBL
352636,CC[NH+](C)C1C(C[NH3+])C1C(C)C,0,GDB ChEMBL
366784,CC(=O)NC12C3=CC[NH2+]C1C2CC([NH3+])C3O,0,GDB ChEMBL
312508,OC1CC2CCC3CC2C1CO3,0,GDB ChEMBL
39807,Cc1ccc2c(C[NH3+])cc(N)nc2c1CO,0,GDB ChEMBL
50993,C#Cc1cnc(C)cc1C(C)(C)CC(C)C,1,GDB ChEMBL
259566,O=C1NCC2C1C21CCCCOCC1,0,GDB ChEMBL
277755,C#CCC[NH+](C)C1C(CC)OCOC1C(C)C,0,GDB ChEMBL
9900,COC(C)C1(C=O)C(=O)CN(C)C1=O,0,GDB ChEMBL
136487,COCC(=CS(N)(=O)=O)CC(O)CO,0,GDB ChEMBL
354972,CC(C(N)CNC(N)=[NH2+])n1nc(N)nc1O,0,GDB ChEMBL
349976,CC(C)C(C[NH3+])CC(=O)[O-],1,GDB ChEMBL
174280,O=C(CO)NCCC(=O)S(=O)(=O)[O-],0,GDB ChEMBL
137108,N#CC(O)C(=O)CC1OCCO1,1,GDB ChEMBL
235668,CC([NH3+])C(=O)NC1c2ncnn2CC1O,0,GDB ChEMBL
304104,CC[NH2+]CC1(OC(C)CO)CC1,0,GDB ChEMBL
167280,CCC(CC(C)C)C1(C)CC(C)C2CC21,0,GDB ChEMBL
33522,CC(C)(CCC(=O)[O-])CN1C(=N)COC1=N,0,GDB ChEMBL
303858,CC1(C2CCC=CCCOCC2)CC1,0,GDB ChEMBL
189809,CCCCC1(C)OC1C(C)C,1,GDB ChEMBL
318509,COCC1OC(C)C2CC2C1O,1,GDB ChEMBL
352631,CCOC1CC(C)=CCC1C,1,GDB ChEMBL
184662,N#Cc1ccc([N+](=O)[O-])c(-c2ccsc2)c1,1,GDB ChEMBL
287009,COCCCCOc1cc(=N)[nH]c(Cl)c1C#N,1,GDB ChEMBL
2330,COC1CC(C)[NH2+]C1C(C)O,0,GDB ChEMBL
398730,C=CC1OCCC(O)C(C)C=C1C,1,GDB ChEMBL
41162,CCCCC(C)(CC)CCCCOC=O,1,GDB ChEMBL
205945,CC(C)C(C)(C)CCC(=O)C(C)(C)C(C)C,1,GDB ChEMBL
61645,N#CC1(CC([NH3+])C(=O)[O-])CS(=O)(=O)[N-]1,0,GDB ChEMBL
196476,COC(=O)C1(C#N)C2CC1C(=[NH2+])N2,0,GDB ChEMBL
190277,CCC(CN)[NH2+]CCc1ncc(C)c(N)c1Br,0,GDB ChEMBL
23958,CC12CCC(C1)C(=O)C(C)(C)C2C(F)(F)F,0,GDB ChEMBL
121535,CC[NH+](C)CC12CC1C1CN(CC(C)O1)C2,0,GDB ChEMBL
308107,NC(=O)C1CNC(=O)OC2CC21,0,GDB ChEMBL
378260,CCC1C(O)C(C#N)C(C2CC2)C1(C)C,0,GDB ChEMBL
392725,CC[NH+]=C1NC2CC2CC(C)C(C(C)C)N1,0,GDB ChEMBL
40025,COc1ccnc(Oc2cn[nH]n2)c1C(=O)[O-],1,GDB ChEMBL
207673,N#CCN=C1OC(CO)C1C(=O)[O-],0,GDB ChEMBL
147250,NC(=O)C1OC12C=CC(O)CCC2C[NH3+],0,GDB ChEMBL
350284,CCC(C)C(CC)C(CC)c1ccc(F)cc1,1,GDB ChEMBL
384238,CC1[NH2+]C2CC(C)(C)CC1C2C,0,GDB ChEMBL
379423,CC(=[NH2+])N1CCN(C)c2c(ccc(Br)c2C)C1,0,GDB ChEMBL
277767,C#Cc1ccc2c(c1)CCCC=CCCC2,1,GDB ChEMBL
216162,[NH3+]CC(CC([NH3+])C(=O)[O-])Oc1nn[nH]n1,0,GDB ChEMBL
173153,CC1OC(CO)C(O)C(n2cnnn2)C1[NH3+],0,GDB ChEMBL
334127,C[NH2+]CC1(N)CC[NH+](C)CC1(N)CCO,0,GDB ChEMBL
386576,COc1nsnc1C1(O)CNC1C(N)=O,0,GDB ChEMBL
261429,N=C1NC2C3CC3C([NH3+])CC2N1C(=O)C[NH3+],0,GDB ChEMBL
196727,CC1=CC2CC(C)[NH2+]C(C1)C2,0,GDB ChEMBL
193318,Brc1ccc(Br)c(C2CCCC3CC32)c1,1,GDB ChEMBL
70852,CC1CCC(O)C(C)C12CO2,1,GDB ChEMBL
259596,CCOCC1(CO)CC2(C[NH+]=C(N)O2)C1,0,GDB ChEMBL
286127,NC(=O)CC[NH+]1CCC2(CC1)COC2,1,GDB ChEMBL
130338,O=C([O-])C1CC2CNC2C(=O)O1,0,GDB ChEMBL
296365,CCCC1CC(C)[NH2+]C1C(C)(C)NCC(C)=O,0,GDB ChEMBL
387213,C[NH2+]CCCC1CC1NC(N)=O,0,GDB ChEMBL
230475,NC(=[NH2+])C(Cn1ncnn1)C1CCC(C=O)[NH2+]1,0,GDB ChEMBL
308172,CC#CCC(C)CCC(C)=CCC,1,GDB ChEMBL
105096,CC1CC(C)(C(C)C(F)(F)F)CCCOC1C,0,GDB ChEMBL
51043,C#CCC(C)Cc1cc(C)cs1,1,GDB ChEMBL
148770,NC1(C(=O)[O-])CC(O)C2NC(=[NH2+])C21,0,GDB ChEMBL
227560,COc1ncc(F)nc1OCC[NH3+],0,GDB ChEMBL
379149,CCN1C2C(O)CCCC21C,1,GDB ChEMBL
47233,CCCC(N)(C(=O)OC)C1(C(N)=[NH2+])CC1,0,GDB ChEMBL
236706,COC(=O)C(N)C1C(O)C1C(O)C[NH3+],0,GDB ChEMBL
76467,C[NH2+]C1(C)CCCOC(CO)C12CC=CC2,0,GDB ChEMBL
117441,C[NH+]=C(N)NC1C(O)C1(O)C(=O)[O-],0,GDB ChEMBL
113560,NC(=O)CCc1[nH]ncc1C(N)=O,1,GDB ChEMBL
330566,COC(=O)C1=C(C)N2C(C)C2C1,0,GDB ChEMBL
342632,COCC([NH3+])CC1(C(N)=[NH2+])CCC(C)(O)CC1,0,GDB ChEMBL
191705,CC1OC(=O)N(C)C(C(O)C(O)C#N)CC1O,0,GDB ChEMBL
285587,CC1C(C(=O)[O-])[NH2+]C2C(C(N)=[NH2+])CC12C,0,GDB ChEMBL
186027,CC1=CCCC2C(C)C1C1C[NH2+]CCCC21,0,GDB ChEMBL
355141,CC(=O)C1C2C[NH+](C2)C(C)C1O,0,GDB ChEMBL
190381,COC=Nc1nc(N)ccc(C(C)=O)ccs1,0,GDB ChEMBL
26905,CCC1CCC2CC(CC(C)(C)C)CC2C1,0,GDB ChEMBL
84556,CC1CC2C3CCC(=O)NCC(C3)C12,0,GDB ChEMBL
167283,Cc1cc2cc(C)c(C)c(F)c2cc1C,1,GDB ChEMBL
231089,CC1C[NH2+]CC2CCC(=CC(C)(C)C1)C2,0,GDB ChEMBL
362984,CC1(CO)C(C(O)C[NH3+])N1S(=O)(=O)CC(N)=O,0,GDB ChEMBL
340147,CNC(=O)c1snnc1C#N,1,GDB ChEMBL
118363,CCC1C(=O)OCC2(C=CCC1O)CO2,0,GDB ChEMBL
361148,CCCC1(CC)CC1C(C=O)COC,0,GDB ChEMBL
233934,CCC(=O)CC1OCC2CC1(C(N)=O)C2,0,GDB ChEMBL
234923,CCCC1(CC=C(C)C)C=CCC1,1,GDB ChEMBL
109587,CCC(=O)C(C(N)=[NH2+])C1CC1,0,GDB ChEMBL
76731,Nc1nccc(CCC2CO2)n1,1,GDB ChEMBL
248645,C#Cc1cc(C)cc(Cl)c1Cl,1,GDB ChEMBL
273393,Cc1sccc1CC1CCC(=O)CC1,1,GDB ChEMBL
132279,CCC1CC(C)C(C)C[NH2+]CCC1C(C)(C)C,0,GDB ChEMBL
81000,CC(C)(C)C[NH+]1CCNCC1C(C)(C=O)CO,0,GDB ChEMBL
59686,CC(=O)OC1C2CC([NH3+])C1(C)C(=O)N2C,0,GDB ChEMBL
152007,CCN(C)C(N)=[NH+]C(CO)C(=O)CC(C)=O,0,GDB ChEMBL
256016,CCC1CCCC2(CC)C(C)CCC(C)[NH+]2C1,0,GDB ChEMBL
75466,C#CC(C)C1(C)CCCCOC1,0,GDB ChEMBL
354352,CCC1(C)C=C(C)CC[NH+]=C(N)NC1,0,GDB ChEMBL
372732,[NH3+]C1CC2CC1C(=O)NC21CC1,1,GDB ChEMBL
246950,O=CC#CC1(C[NH2+]CCC(=O)[O-])CC(O)C1,0,GDB ChEMBL
331726,O=CC(C=O)c1nc(CO)cc2c1OCC2,0,GDB ChEMBL
130187,C#Cc1cc(C)c(F)c(C)n1,1,GDB ChEMBL
95205,COc1cc(I)ccc1C#N,1,GDB ChEMBL
340554,CC(=O)NC(C1CO1)C(O)(CO)CCO,0,GDB ChEMBL
81120,C[NH2+]C(C(=O)C1CCC=C1C)C1CO1,0,GDB ChEMBL
267327,COC1(CO)CC(=O)CC1CO,0,GDB ChEMBL
377820,COC(=O)Nc1nc(O)ncccc(C)s1,0,GDB ChEMBL
246387,CCN(CC[NH3+])CC([NH3+])C1CC(C)C1O,0,GDB ChEMBL
235721,CCCC1CCC2C(C)(CC)CCC12C,0,GDB ChEMBL
307923,NC1C(=O)N2C(=O)NCC(O)C12,0,GDB ChEMBL
295923,CC12CC3CC1[NH2+]C3C2C(N)=O,0,GDB ChEMBL
260580,Nc1cc(O)c2c(c1O)S(=O)(=O)CC2=O,1,GDB ChEMBL
9767,C#CC1CC(C)Nc2cccc(Br)c2CC[NH2+]1,0,GDB ChEMBL
200602,OC(CN1CC1)c1ccc(F)cc1,1,GDB ChEMBL
330368,C#CC(C#C)(C#C)c1cc(F)cc(F)c1CC,0,GDB ChEMBL
352676,C#Cc1c(Cl)cc(N2CC(C)C2)cc1Cl,1,GDB ChEMBL
190128,CCC(O)CNc1c[nH+]c(C)c(N)c1N,0,GDB ChEMBL
18828,C[NH2+]CCC#CC1NC1C(N)=O,0,GDB ChEMBL
21723,CC12COCC1CC[NH2+]C2C=O,0,GDB ChEMBL
321939,CC1(NC(=O)CO)CC1[NH3+],0,GDB ChEMBL
155149,C[NH+]1CCCOCCNC(CO)C1,0,GDB ChEMBL
65595,C#CC1([NH2+]CC)CCC=CC(CC(C)C)C1,0,GDB ChEMBL
126342,CCC(C(N)=O)N(C=O)C1CC([NH3+])C(O)C1O,0,GDB ChEMBL
180819,CC1C2C[NH2+]C(C(=O)[O-])C1C2C,0,GDB ChEMBL
380281,CC1CCC(C2(O)C(O)C2O)C[NH2+]1,0,GDB ChEMBL
114813,N#CC1[N-]C(=O)CC(CCO)OC1=N,0,GDB ChEMBL
111913,C[NH2+]CC1CC(C)(C[NH3+])CN1,0,GDB ChEMBL
300683,COC1C=CC2C(CCC(C)C2C)C1,0,GDB ChEMBL
278128,CC1OCCC1NCC#N,1,GDB ChEMBL
191323,C#CC(Cc1cnc(C[NH3+])n1C)C(C)C,0,GDB ChEMBL
163847,C#Cc1c(C(=O)NC)nsc1NC(N)=[NH2+],0,GDB ChEMBL
238039,N#CC1CC2CC2C(O)CC1[NH3+],0,GDB ChEMBL
259620,CC#CC1C(CC)CCCC1(C)C(C)=O,0,GDB ChEMBL
294744,COCC1(C)CCOC(C)C2(CCCCC2)C1,0,GDB ChEMBL
80261,CCNC(C(=O)N(C)C1=NCCO1)C(O)C=O,1,GDB ChEMBL
321371,CCCC12CCCC1C1CCC2(C)CCC[NH2+]1,0,GDB ChEMBL
71421,CCCCC(C)[NH+]1C2CC2CC1(C)C,0,GDB ChEMBL
262516,CCC(=[NH2+])N(CC(N)C(C)O)C(C)(C)C,0,GDB ChEMBL
228900,C#CC1OCCCC(C)C1[NH2+]C(CN)C(C)C,0,GDB ChEMBL
38908,CC[NH2+]CCCC(=O)C(=O)C(C)C(C)C,0,GDB ChEMBL
315284,NC(=O)C1[NH2+]C2CC1(C(=O)[O-])C2O,0,GDB ChEMBL
60955,CC[NH+](C(C)C)C(C)(C)CC1CCCC(C)C1,0,GDB ChEMBL
319321,N=C1CCc2ccc(O)c(Br)c2O1,1,GDB ChEMBL
240824,CC#CC1(OC)CC(C(C)CC)C1(C)C,1,GDB ChEMBL
249497,CC1CC2C[NH2+]CC3CCC(C[NH2+]3)C1(C)C2,0,GDB ChEMBL
169426,CC(=NCC(C)[NH3+])N(C)C1(C#N)COC1,0,GDB ChEMBL
1463,CC=CCCCCOCCC1CO1,1,GDB ChEMBL
20788,CCC1CCC(C)(C)C(=O)OC(C)CO1,1,GDB ChEMBL
203805,N=C1NCCCN=CN1C=O,0,GDB ChEMBL
210166,CCc1cc(C=O)c(CCOC)c(F)c1N,1,GDB ChEMBL
203764,O=CC1NC2CC1(O)CNC2=O,0,GDB ChEMBL
254924,Nc1nccc(C#CCOCCCCO)n1,1,GDB ChEMBL
42274,C#CC(=O)C(O)C1CC(CCC)CCOCO1,0,GDB ChEMBL
355786,N#CC(CN)OCc1cncs1,1,GDB ChEMBL
289943,CCC(C)NC=[NH+]C1CCCOC(=O)CCC1,0,GDB ChEMBL
299724,NC(=O)C1NC(=O)C2(C3=CCCC3)CCC12,0,GDB ChEMBL
331743,NS(=O)(=O)OC1COCCCC1=O,1,GDB ChEMBL
368155,CC[NH2+]CCNCCC#CC1COC1,0,GDB ChEMBL
166410,C#CC(CC[NH2+]C)(NC)C(=O)CC(C)(C)C,0,GDB ChEMBL
210210,CCCCCC1(C)CCCC(C)C1(C)CCC,0,GDB ChEMBL
142357,NC(=O)N1CC2C(O)(CNS2(=O)=O)C1=O,0,GDB ChEMBL
48714,CC([NH3+])(C1CCC1)C1(O)CC[NH2+]CC1,0,GDB ChEMBL
151748,CNC(C#N)(CO)CS(N)(=O)=O,1,GDB ChEMBL
248210,CCC1OC2C(C(=O)OC2S(N)(=O)=O)C1[NH3+],0,GDB ChEMBL
383951,CC[NH2+]C1CC[NH2+]CCC1C,0,GDB ChEMBL
67574,CCC(CCN(C=O)CC(C)(C)[NH3+])OCCO,0,GDB ChEMBL
221375,CS(=O)(=O)C(CO)C(=O)C1CC1,1,GDB ChEMBL
362070,CCC([NH3+])C(O)c1ncon1,0,GDB ChEMBL
127519,[NH2+]=C(NCCC(=O)[O-])c1ccnn2cncc12,0,GDB ChEMBL
217068,CC1C[NH+](C)CC(C)C(C(N)(C#N)CN)N1,0,GDB ChEMBL
44964,CC(=O)OC1C(NC=O)C1(C)[NH3+],0,GDB ChEMBL
157718,C#CC1(CC[NH3+])C2OC1(C)CC2CC(=O)[O-],0,GDB ChEMBL
180032,CC1CC(=NO)C=C(CO)CCC[NH2+]1,0,GDB ChEMBL
203873,CC(O)C(O)C1COC(=O)C(N)C1C#N,0,GDB ChEMBL
238534,CC(C)OCC1=CCC(O)CC1,1,GDB ChEMBL
199438,CNc1cc(C)c(=[NH2+])cc2c1[NH2+]C=C2CCO,0,GDB ChEMBL
115738,C=CCC1CC(O)C(CO)CC1C,0,GDB ChEMBL
127498,C#Cc1cc(Br)c(Br)c([N+](=O)[O-])c1,1,GDB ChEMBL
386409,O=C([O-])c1cc2n(c1)C1CC(CN2)CC1O,0,GDB ChEMBL
298038,CCC(C)C(O)C1CC2C[NH+](C)CC21C,0,GDB ChEMBL
331137,CCC(C)(C)C(C)CC1=CCCCC1C,1,GDB ChEMBL
368451,CCC1C2CC3CCCC(C3)C1CC=C2C,0,GDB ChEMBL
108674,CCC(C[NH3+])C1CC2CN(C)C(CO2)C1[NH3+],0,GDB ChEMBL
210284,C[NH2+]CC(N)c1cc(N)nc(CCCOC)n1,0,GDB ChEMBL
140847,NC(N)=[NH+]CC(O)CC1CC1,0,GDB ChEMBL
124324,CCc1cc(CC)n(C)c1COC,1,GDB ChEMBL
230462,CC=C1CNC(=O)C1C(O)CCO,0,GDB ChEMBL
298043,CC(C)Cc1sccc1N(C)C,1,GDB ChEMBL
9694,C#CCCC(C(C)(C)C)C1(CC)CCCC1O,0,GDB ChEMBL
389370,CC[NH+](Cc1ncc(C)cc1C)C(C)(C)C,0,GDB ChEMBL
315215,N#CC1C(N)C(O)C(O)C(O)C1CO,0,GDB ChEMBL
251860,C#Cc1c(C)cc(CNC(C#C)C#N)n1CC,1,GDB ChEMBL
101536,CCCCCC(C)(CO)C1CCCC(CC)C1,1,GDB ChEMBL
147953,COC12CCC(C1)C(C)(C)C2CC(C)O,1,GDB ChEMBL
182141,CC([NH3+])C(O)(C[NH3+])CCS(N)(=O)=O,0,GDB ChEMBL
130839,CC1C(=O)C2NC(=O)C1C(O)C2O,0,GDB ChEMBL
107009,CC1OCCC(NC=O)C(C(=O)[O-])NC(=O)O1,0,GDB ChEMBL
67393,CC1(O)C2CC(O)C1C(=O)CC2O,1,GDB ChEMBL
360978,COC(=N)NC(C#N)CN(C)C,1,GDB ChEMBL
281014,C#CCC1C(O)CCC(C)(CCOCC)C1O,0,GDB ChEMBL
322824,C1CC2CCC3CC1CCC(C2)C3,0,GDB ChEMBL
381431,CCNC(=O)NC1CNS(=O)(=O)C1N,0,GDB ChEMBL
263225,Cc1ncc(I)cc1C(=O)OC1CC1(C)[NH3+],0,GDB ChEMBL
207006,CC1(C(O)C(CS(C)(=O)=O)C(N)=[NH2+])CO1,0,GDB ChEMBL
39960,CC(C#N)NCCOC(C)(C)C1CC([NH3+])C1,0,GDB ChEMBL
316321,CC1(O)CC2[NH2+]C3CC2C1(C)C3,0,GDB ChEMBL
203531,[NH3+]C(CC1CO1)CN1CCOC1=O,0,GDB ChEMBL
278823,CC1(O)CCC(N)(C(N)=O)C1C[NH3+],0,GDB ChEMBL
277667,CC1CC1c1cnc2c(c1I)OCC[NH2+]C2,0,GDB ChEMBL
388252,COC1C(O)C(CC[NH3+])NC1S(N)(=O)=O,0,GDB ChEMBL
331473,CCCc1cc(F)cc2sc3c(C)coc3c12,1,GDB ChEMBL
333657,CNc1nc(CC(C)n2cnc(N)c2C)cs1,0,GDB ChEMBL
27790,CC#CC(C(C)N)[NH+](CC)CCC1CCC1,0,GDB ChEMBL
235698,CC1CC2OC(C)C1CC2[NH3+],0,GDB ChEMBL
66155,COc1cccc(CCCC[NH3+])c1Br,0,GDB ChEMBL
166399,C[NH2+]C1C(C)C(C(CO)OC)C1(N)C(N)=O,0,GDB ChEMBL
119980,COCCN(C)c1ncncn1,1,GDB ChEMBL
349457,C[NH2+]CCCNC(=O)OC(C)(C)CCC(C)C,0,GDB ChEMBL
127196,C=CC1(C#N)CCC(C(C)C)CC1,1,GDB ChEMBL
143483,COCC1(C)C2OC(=[NH2+])NCC1N(C=O)C2=O,0,GDB ChEMBL
9979,CCC1N(C)CC1([NH3+])C(O)CNC(=[NH2+])OC,0,GDB ChEMBL
76398,CC(=O)C(C=O)=CCC(C)C(C)C,1,GDB ChEMBL
65603,NC(=O)NC(CO)C(=O)N(C=O)C=O,1,GDB ChEMBL
337945,OC1CNc2nc(Cl)cnc21,1,GDB ChEMBL
3037,CC1CC2C=CCC1(C)C1CCCC(=O)C21,0,GDB ChEMBL
292931,OC1C[NH+]2CCC(O)(C1)C2,0,GDB ChEMBL
134447,C#CC1[NH+](CC(C)(C)C)CCCCC1(C)C,0,GDB ChEMBL
249799,O=C1CCC=CC(C(=O)[O-])=CS(=O)(=O)[N-]1,0,GDB ChEMBL
203547,COCC(C)(C)C1CC1(C[NH3+])NCC[NH3+],0,GDB ChEMBL
40265,C[NH2+]CC1C(O)C(=O)NC1S(C)(=O)=O,0,GDB ChEMBL
394275,CC1C(C(=O)[O-])[NH2+]C23CC2CCOC13,0,GDB ChEMBL
181609,CCC1C(C)C(C)C(CC[NH3+])C(C)(CC)C1C,0,GDB ChEMBL
177302,[NH3+]CC1CC1[NH2+]CC(CO)NC=O,0,GDB ChEMBL
334383,NC(=O)C1C[NH2+]CCCC(=O)O1,1,GDB ChEMBL
223530,[NH3+]C(CO)CNC(=O)c1n[nH]c2n[nH]cc12,0,GDB ChEMBL
93460,CC1CC[NH+](C)CCOC(=O)OC1(C)CO,0,GDB ChEMBL
82118,CNc1ncnc([N-]S(C)(=O)=O)n1,0,GDB ChEMBL
198796,N#CC(N)(C(=O)[O-])C1C[NH2+]C1,1,GDB ChEMBL
185928,CC1C2CCCN(C3CCCC3)C(=O)C1C2,1,GDB ChEMBL
336028,CC[NH2+]C(C(C)C)C1C(O)CCCCC1CC,0,GDB ChEMBL
362575,CCCC(C)C(C)(C)C1OC1C,1,GDB ChEMBL
199439,CCC1CC2C(C[NH2+]1)OC(C)C2C,0,GDB ChEMBL
18360,CC(=O)NC(CCO)CC(=O)C(=O)S(C)(=O)=O,0,GDB ChEMBL
51354,CCC1CCC(C)(C)C2C(C)=CCC1C2C,0,GDB ChEMBL
147928,CC(CCO)Oc1cc(C2CCC2)c[nH]1,1,GDB ChEMBL
350893,C[NH2+]C1C(CCCC#N)COCC(C)(C)C1O,0,GDB ChEMBL
93146,CNc1ccsc1OCCC(C)(C)O,1,GDB ChEMBL
117317,C#CCC1C(O)C([NH3+])CS(=O)(=O)N1C,0,GDB ChEMBL
374918,CCC1=Cc2cnn(C)c2CC1,1,GDB ChEMBL
194454,Cc1c(F)ccc2c1NC(C)C21CCC1,1,GDB ChEMBL
132717,CCC(=O)c1nccc(CC(=O)[O-])c[nH]cn1,0,GDB ChEMBL
179482,CC(CC1CC=CC1)C(C)(C)C,1,GDB ChEMBL
387080,CCC1CC2C[NH2+]CC(C)CCC(C2)[NH2+]1,0,GDB ChEMBL
320461,CNS(=O)(=O)C1CC(CO)C(O)C1C(=O)[O-],0,GDB ChEMBL
378288,CC(=[NH2+])Nc1c([O-])c(C=O)nc(C(=O)[O-])c1O,0,GDB ChEMBL
190262,CC(O)C1COC2(C)CC(CC(=O)O1)[NH+]=C2N,0,GDB ChEMBL
261211,COC(=O)C1CNC(=O)C2C1C2S(N)(=O)=O,0,GDB ChEMBL
234887,CCC1CC(CC[NH3+])[NH+]1C,0,GDB ChEMBL
358232,C[NH2+]CC1(C)OC2C(OC)COC1C2C,0,GDB ChEMBL
249818,NC(=O)c1c([O-])[n-]c(=O)c(=O)n1CCC[NH3+],0,GDB ChEMBL
95523,CC1=CC23NCC[NH+](C)C2C3C1O,0,GDB ChEMBL
348821,NC(=[NH2+])NC1(C(=O)[O-])C=CC(O)C1NC=O,0,GDB ChEMBL
114397,CC1CC(C(C)C(C)O)C2(COC2)[NH2+]1,0,GDB ChEMBL
298908,COC(=O)NCC[NH+]=C(C)N,0,GDB ChEMBL
48203,CCCc1cc(C(C)C)c(C)[nH]1,1,GDB ChEMBL
101490,CC[NH2+]C(C)C(C)C1CC(C)C[NH+]1C,0,GDB ChEMBL
46893,Cc1c(Br)cnc(N)c1CC(C)(C)OC=O,1,GDB ChEMBL
109214,CCCCc1cnoc1C[NH2+]CC,0,GDB ChEMBL
190530,C#CCc1ccnc(C(C#C)CNCC#N)c1,0,GDB ChEMBL
204523,C#CC(C)[NH2+]CC#Cc1cc(O)nc(Br)c1,0,GDB ChEMBL
351406,CC[NH+](CC)C(C)CC1(O)C2OCC1C(=O)O2,0,GDB ChEMBL
254948,CC#CCc1c(C)c(F)c(C)c(C[NH3+])c1O,0,GDB ChEMBL
69608,CC(C)c1c(F)cc(C#N)cc1N(C)C(C)C,1,GDB ChEMBL
304323,CC#CCNC(=O)NCC,1,GDB ChEMBL
317958,COc1cn2ccc(C)c(Br)c2c1C,1,GDB ChEMBL
292554,C#CCN1C(=O)C2CCCC(OC2)C1CO,0,GDB ChEMBL
114399,CCCC1CC(C2=CCCC2)=CC1C,0,GDB ChEMBL
104987,CCCN=CNc1ncccc1C[NH3+],0,GDB ChEMBL
215673,CC(O)(C[NH3+])C1C(C#N)[N-]C(=O)C2OC21,0,GDB ChEMBL
274591,C[NH+]=C(N)OC1(COCCO)CC1,0,GDB ChEMBL
196754,CN1CCNC(=[NH2+])C([N-]C(=O)CC#N)C1,0,GDB ChEMBL
218574,COCC#CC1(C(N)=O)CO1,1,GDB ChEMBL
331472,C#CCC1CCOC(C=O)CN(C)C(=O)OC1,0,GDB ChEMBL
354860,Nc1cc(C(=O)NC=O)cc2oc(=O)[nH]c12,1,GDB ChEMBL
270040,CC1CCC(=O)CCC(N)=[NH+]C(C)CN(C)C1,0,GDB ChEMBL
392736,Cc1ccc(Cl)c(C#N)n1,1,GDB ChEMBL
98897,CCCC(C)CC1(CC)CCC=C1C,1,GDB ChEMBL
177057,O=C([O-])CCNc1ncsc(=O)n1,0,GDB ChEMBL
231119,CCC(O)(CCO)C[NH2+]C,0,GDB ChEMBL
165637,COCC1(CO)OC1C(CO)[NH+]=C(N)N,0,GDB ChEMBL
96046,N#CC(CC=O)C(=O)NC(=N)N,1,GDB ChEMBL
33898,CC[NH+]1CC2CC=CC1CCC(=O)C2,0,GDB ChEMBL
105966,CC1c2cc(F)ccc2C2CC3C(C)C3C12,0,GDB ChEMBL
173135,N=C1NC=NC(C(N)=O)C(CO)O1,0,GDB ChEMBL
29773,CC1C(=O)OC2(C)C1C(=O)N1CC12,0,GDB ChEMBL
45912,CCC1C=CC(C)(C=O)C[NH+]1C1CC1,0,GDB ChEMBL
141929,C#CC1CC([NH2+]C)CC(C)O1,0,GDB ChEMBL
340492,CC1C(C(OC(N)=O)C(=O)[O-])N1C(N)=[NH2+],0,GDB ChEMBL
201732,CNC1(C([NH3+])C(C)C)CC[NH2+]CC1(C)O,0,GDB ChEMBL
352230,COCC(C)C([NH3+])C1OCC([NH3+])C1O,0,GDB ChEMBL
232118,C=CCC=CCCCC(=CC)CC,1,GDB ChEMBL
217067,CCNC(=O)C(CCC(=O)CO)=NO,1,GDB ChEMBL
377922,CC1C2CC[NH+](C)C1C1CN2CCO1,0,GDB ChEMBL
164711,COC1(CCC[NH3+])COCCC(C(C)C[NH3+])C1,0,GDB ChEMBL
29667,CCOc1c(Cl)ccnc1N1CC(=O)C(C)C1,1,GDB ChEMBL
342615,CNC(=O)OC1CN2CC2C1(C)[NH3+],0,GDB ChEMBL
366058,C[NH2+]CCn1cc(O)c(N)c1CC(C)(C)O,0,GDB ChEMBL
204491,CC1=CC(C[NH3+])(CC#N)OC(=O)C1,0,GDB ChEMBL
151830,COC(=O)C12C(OC)CC(CO)(C1[NH3+])C2O,0,GDB ChEMBL
320793,CN=C1CC(C)C(C(=O)[O-])C(C)(C)O1,0,GDB ChEMBL
310139,C[NH2+]C(CC(=O)[O-])c1cc(CC[NH3+])no1,0,GDB ChEMBL
257542,O=Cc1cc2[nH]c(CC3CO3)nc2cc1Cl,1,GDB ChEMBL
130833,Nc1nc(F)c(CC[NH3+])c2[nH]cnc12,0,GDB ChEMBL
255999,CCC1(C2CCC2)CCC2CC1C[NH2+]2,0,GDB ChEMBL
259605,CCOCC1(CC(O)CC)CC1,1,GDB ChEMBL
228294,C[NH2+]CC#Cc1cc(C)c(F)cc1N,1,GDB ChEMBL
286898,[NH3+]C1CC2OC1C(CCO)(C(=O)[O-])O2,0,GDB ChEMBL
44961,Cc1cc(Br)c2c(C)cccc2c1C,1,GDB ChEMBL
191359,N#CC1OC(NC(=O)CO)=NC1CO,1,GDB ChEMBL
196531,NC(=[NH2+])CC1CC(O)C(=O)OCC1[NH3+],0,GDB ChEMBL
115732,CN=C1NC(C[NH2+]C)C(N)C(C)(C(=O)[O-])O1,0,GDB ChEMBL
19365,CCCC(C)[NH+]1CC2C(C)C(C)C2C1,0,GDB ChEMBL
272570,CC(C)CC12CCCC1CCC2,1,GDB ChEMBL
302493,CN=CN1C(=O)OCC1C[NH+]=C(N)N,0,GDB ChEMBL
51813,CCC(=[NH2+])NC(=N)C(N)C(=O)[O-],0,GDB ChEMBL
141905,CC12CCC(CO1)C2OC(N)=O,0,GDB ChEMBL
173691,CCOc1ccc(N)nc(C[NH3+])[nH]cc1C#N,0,GDB ChEMBL
110230,CC1C2CC2(CO)CN1C(N)=[NH2+],0,GDB ChEMBL
362839,CC1=CC(C[NH3+])C(O)C(C(N)=O)C1C#N,0,GDB ChEMBL
34389,CCOCc1c(C(C)(C)C)ccc(C)c1CC,1,GDB ChEMBL
107636,N#CC(C1CC([NH3+])C(=O)N1)C1CO1,0,GDB ChEMBL
310272,CCc1[nH]cc2c(C)cccc12,1,GDB ChEMBL
262250,CC1C[NH2+]C2CC(O)C(O)C12O,0,GDB ChEMBL
360824,O=C1NC2(CO)C(=O)OC1C21CC(O)C1,0,GDB ChEMBL
59001,CC(=O)N1CCCCC=C1C,1,GDB ChEMBL
227302,[NH3+]C1C(CO)NC(=O)NC2CC(O)C1C2,0,GDB ChEMBL
227797,CCC12COC(CC(C)C1O)C2,0,GDB ChEMBL
62600,C[NH2+]CC1CC12C(C)COCCN2C(N)=O,0,GDB ChEMBL
61525,CC(N)C(=O)[N-]C(=O)n1cnnn1,1,GDB ChEMBL
201114,CCC12C[NH+](C1)C1C(O)CCCC12C,0,GDB ChEMBL
323994,CC(C)[NH2+]CC1(C)OCCC1CC1CC1,0,GDB ChEMBL
161091,CCC[NH2+]CC#CCC(C)[NH2+]C,0,GDB ChEMBL
34326,CC1C2OC(=O)CC(CCC(F)(F)F)C12C,0,GDB ChEMBL
104371,CN=C1OCC1(C)CC(N)=O,0,GDB ChEMBL
132231,CCn1ncc2c1NCCO2,1,GDB ChEMBL
363530,Cc1ccc2[nH]c(C=O)c(C=O)c2n1,1,GDB ChEMBL
34829,CCN(C(N)=O)C(=O)C1(O)C(N)C1[NH3+],0,GDB ChEMBL
127284,C#CC1(C)NC(CO)CC1C#N,0,GDB ChEMBL
64673,N#Cc1c[nH]c2c(N)c(I)c(C=O)c([O-])c12,0,GDB ChEMBL
246982,CCC[NH+]1C(C)CC2CCC1C(C(C)CC)C2,0,GDB ChEMBL
262329,CCC1CC(C)(C(F)(F)F)C(CC)C1C,0,GDB ChEMBL
336585,C#CC1Cc2ccc(C)ccncc(c2)C1C,0,GDB ChEMBL
130360,[NH3+]C1CC(C(=O)[O-])C(=O)NC2C(O)C12,0,GDB ChEMBL
7812,CN1CC2(CC=C(CC(N)=O)C2)CC1=O,0,GDB ChEMBL
278259,C#CC(C)NC(=[NH2+])CCOCC[NH3+],0,GDB ChEMBL
263824,CC1C=CCC(CCO)C1[NH3+],0,GDB ChEMBL
59208,CC1C=CC2CCCCC1CC2(C)C,0,GDB ChEMBL
390098,CS(=O)(=O)NC(C=O)C1COC2CN1C2,0,GDB ChEMBL
117436,COC1(CCO)CNC(=[NH2+])OCOC(=O)C1,0,GDB ChEMBL
41165,C#CC(OC)C(C)CCC(C)CC,1,GDB ChEMBL
393512,CC(=[NH2+])N1C2CC(C#N)CC(O)C21,0,GDB ChEMBL
236609,COC(=O)C1CC(C)([NH3+])C(O)C2CN12,0,GDB ChEMBL
118426,CC1(O)CC(=O)OC1C([NH3+])C(O)C(N)=O,0,GDB ChEMBL
304818,C#CC(C)(C)CC(C)CC1(CCCC)CC1,0,GDB ChEMBL
47663,CNC(=O)Nc1nc(C(O)C[NH3+])ns1,0,GDB ChEMBL
230441,CCCCc1sc(C(C)C)c2c(Br)cccc12,0,GDB ChEMBL
304628,COC(C)C(O)C1CCCC1(C)C1CCC[NH2+]1,0,GDB ChEMBL
157374,C[NH2+]C1CC2(C(C)[NH2+]C)CC2C1O,0,GDB ChEMBL
301170,CNC(=O)C1C2C(C#N)N=C(N)N12,0,GDB ChEMBL
127528,N#CC1C2C([NH3+])C(CC(=O)[O-])NS(=O)(=O)C12,0,GDB ChEMBL
141890,Cc1ccc(C2C3C=CC2(C)C3)c(Br)c1,1,GDB ChEMBL
275593,C[NH2+]CCC1C([NH3+])C1C(C)(C)C[NH+](C)C,0,GDB ChEMBL
80249,CCCC1C=C(C(CCC)OCC)C(=O)C1,1,GDB ChEMBL
78643,CCC1CCC(O)C1(CC#N)CC(N)=[NH2+],0,GDB ChEMBL
191312,CC1(C)CCCCC(C2CCCC(=O)CC2)C1,0,GDB ChEMBL
366055,CCC1(C)Cn2cccc2OCC1C[NH3+],0,GDB ChEMBL
129785,[NH3+]CC12CC=CCC(CC1)NC2=O,0,GDB ChEMBL
132653,C1C2CC3CC1C1CCC2[NH+]31,0,GDB ChEMBL
59186,O=C([O-])c1noc(=O)cc1[N+](=O)[O-],0,GDB ChEMBL
25251,C[NH+]=C1NC2C(O)CCN3C(=O)C4C(C23)N14,0,GDB ChEMBL
22795,CC(=O)CC(=O)C(CCNC(C)=O)=N[O-],0,GDB ChEMBL
51355,CCCC=CC1(C)C[NH2+]CC1CC,0,GDB ChEMBL
386669,CNC(=O)N1CCC1C(=O)CCO,1,GDB ChEMBL
34824,Cc1cc(OC=N)c(O)c(S(N)(=O)=O)c1,1,GDB ChEMBL
369839,CN=COC(C(=O)[O-])C(O)C[NH3+],1,GDB ChEMBL
22488,Cc1cc(C)c2c(F)ccc(CO)c2n1,1,GDB ChEMBL
213988,[NH3+]CCC(O)C(CO)N1CC1,0,GDB ChEMBL
155769,CN1C(=O)CC([NH3+])CC[NH+]=C1N,0,GDB ChEMBL
47394,O=C1COCC(C(=O)[O-])CNC1=O,0,GDB ChEMBL
156543,CCNc1ncc(C(=O)[O-])c(=N)o1,0,GDB ChEMBL
18662,CC1OC(C)(C)CC1CC(C)(C)C(O)C[NH3+],0,GDB ChEMBL
297011,CCN(C(=N)Cc1nc(N)cs1)C(C)=O,1,GDB ChEMBL
137117,C#CC(O)C1CC(CO)CCC(C)O1,0,GDB ChEMBL
253571,COC1(C#N)CC2CCOCC2[NH+](C)CC1N,0,GDB ChEMBL
140366,C#CC(CCC(C)NC(N)=O)C1C[NH+]=C(N)C1,0,GDB ChEMBL
280271,C#CC(CO)C(=O)NC1=NCC(O)C(C[NH3+])O1,0,GDB ChEMBL
305795,N#CC(OCCOC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
38205,C1=[NH+]CCC2OCCCC2N1,0,GDB ChEMBL
387271,CC1C(=O)NC2C(CC[NH3+])OC2(C)C1O,0,GDB ChEMBL
195520,CC1=CCCC(C(C)O)C1,1,GDB ChEMBL
261217,CNC(=[NH2+])N1C2C(N)C(O)C1C(C(=O)[O-])C2O,0,GDB ChEMBL
159868,CCCC1(C)NC1(CCO)c1cccs1,0,GDB ChEMBL
390081,NC=[NH+]c1cnn(CC(O)CNC=O)c1,0,GDB ChEMBL
98832,CN1CC(=N)N(CC#N)C1=O,1,GDB ChEMBL
152630,CC(CN1C=NC(CC(C)C)C1=O)=NO,1,GDB ChEMBL
247332,CC1(C)CC1N(C=O)CCCC[NH3+],1,GDB ChEMBL
369852,Cn1cccc1NC(=O)c1c[nH]cc1C(=O)[O-],0,GDB ChEMBL
353946,CCOCC([NH3+])(CC)CCS(=O)(=O)[O-],1,GDB ChEMBL
245501,CCCCC1(C)C(C)C(O)C2CC21O,0,GDB ChEMBL
307874,CC1CC(C[NH3+])C(CO)C2CC12,0,GDB ChEMBL
227249,C#CC1CC2C[NH2+]C1C2COCC,0,GDB ChEMBL
215376,COC1OC(=O)C2CC1CS(=O)(=O)N2,0,GDB ChEMBL
376013,Cc1cnc(Cl)n(C(=O)C2C[NH2+]C2)c1=O,0,GDB ChEMBL
186581,CC1NC(=[NH2+])OC1C(C(=O)[O-])C([NH3+])CO,0,GDB ChEMBL
304166,COC1(C)CCC(NC(=O)CO)CC(=O)O1,0,GDB ChEMBL
274853,CCNC(=[NH2+])Cc1oncc1C(=O)COC,0,GDB ChEMBL
222134,CCCC(CC)(CC)C(CC)C1CCCCC1,1,GDB ChEMBL
317724,COCC1(NCC#N)CCC1,1,GDB ChEMBL
42566,COC1CC2Cc3c(cc(C)n3C)CC1[NH2+]2,0,GDB ChEMBL
333116,CC1(O)CC(CO)([NH2+]C2CCCC2)CC1O,0,GDB ChEMBL
376962,OC1CCCC#CCc2cccc1c2,1,GDB ChEMBL
301203,CN(C=O)C(C(N)=O)C1C[NH+]=C(N)O1,0,GDB ChEMBL
307951,OCCC(CO)Cc1ccoc1,1,GDB ChEMBL
284355,C[NH2+]C1CN=CN(C)C1=O,0,GDB ChEMBL
280724,[NH3+]CCC1CCCCC(=O)O1,0,GDB ChEMBL
234403,[NH3+]C1CC([NH3+])C2C(=O)NC1C2CCO,0,GDB ChEMBL
75000,CC1[NH2+]CCC2CC2(C)CC1CO,0,GDB ChEMBL
128298,CCC1CC2C(CC)C1C(O)CC2(C)C,0,GDB ChEMBL
108156,CC(=[NH2+])N(C)C(C)CCCO,0,GDB ChEMBL
375886,N#CC1CC(=O)N1C(=N)NCC(=O)[O-],0,GDB ChEMBL
16015,Cc1cc(C)c(C)c(C)[nH]ccc1O,0,GDB ChEMBL
394312,CC(=O)C1CC=C(CO)C1,1,GDB ChEMBL
355781,CN1C(C(=O)[O-])CNC(C)(C(N)=O)C1C=O,0,GDB ChEMBL
41102,N=C(CCC(CCO)OCCO)NC(=O)C[NH3+],0,GDB ChEMBL
278143,CC1C2CCC[NH+](C)C1C2C(F)(F)F,0,GDB ChEMBL
228922,CC1(C[NH3+])OC(C#N)C1C(=O)[N-]CC#N,0,GDB ChEMBL
112636,CCC(C)(CC)C1CC(C)CO1,0,GDB ChEMBL
352229,CC1CC2C=CC3[NH2+]CCCC1C23,0,GDB ChEMBL
352678,C1=CCOCCC=C2CCC(CCC1)CC2,1,GDB ChEMBL
186547,CC1OCC2(C)CCCC[NH+](C)CC12C,0,GDB ChEMBL
221649,CCC1(CC)OC(=O)NC(C#N)(CNC)C1C,0,GDB ChEMBL
198853,NC(=O)C[NH2+]C1CCC2CC21O,1,GDB ChEMBL
35695,C#Cc1ccc(Cl)c(C2C3CCCC32)c1C,1,GDB ChEMBL
240782,CC([NH3+])C(COC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
308104,C#CC(C)(O)C1OCCC1CCC,1,GDB ChEMBL
120563,CCC(C)CC1(CCc2cnsc2)CC1,1,GDB ChEMBL
170419,C#CCC(CC)CC1(CC(C)(C)O)CCC[NH2+]1,0,GDB ChEMBL
326432,CC1C2CCc3c(F)ccc(c32)C2CC21,1,GDB ChEMBL
344355,NC(=[NH2+])C1(C(N)=O)C(O)C(O)C(O)C1C(=O)[O-],0,GDB ChEMBL
395594,C[NH2+]C1C(C2CC2)=CCC1(C)CC(C)C,0,GDB ChEMBL
320264,N#C[C-]1C(=O)CCC(O)C1=O,0,GDB ChEMBL
177044,C#CCC1CC(C[NH+](C)C)C2(CC2)C1,0,GDB ChEMBL
302290,CC(C)NC(=O)Nc1nc(=O)ncs1,0,GDB ChEMBL
377804,CC12OC1CNC(=O)NC2C#N,0,GDB ChEMBL
352688,COC(C#N)(C#N)C1C(C=O)CCC(C)N1C,0,GDB ChEMBL
257495,NC(=[NH2+])N(CC([NH3+])C(O)CO)C(N)=O,0,GDB ChEMBL
227642,CCC1CCC2(CC(O)COC)C(C)C12,0,GDB ChEMBL
249524,CCC1C2N1C(C)CC2(CO)C[NH+](C)C,0,GDB ChEMBL
195430,CC1OCC[NH+](C)C2CC(=O)N(C)C12C,0,GDB ChEMBL
44996,C#Cc1cccc(CC)c1Br,1,GDB ChEMBL
288975,Cn1ccc2c1C(C)(C)CC2,1,GDB ChEMBL
242669,CCC(C1CC(C)C1)C(CC)(CC)C(=O)[O-],0,GDB ChEMBL
188110,C[NH2+]C1CC(O)C2C3CC(C)C(C1)C32C,0,GDB ChEMBL
236561,N#CC1(C#N)NC(=N)OC1CO,0,GDB ChEMBL
293844,Nc1ccn(CC2=NCC3CC(C3)O2)n1,1,GDB ChEMBL
98863,CC1=CCCCCOC(C)(C)C1O,1,GDB ChEMBL
61878,CC1CNC(C#N)C(N)C1OS(N)(=O)=O,0,GDB ChEMBL
245853,CCC(C)C(CO)OCCNC(C)=[NH2+],0,GDB ChEMBL
363025,NC1=[NH+]C2CC(O)C1CS(=O)(=O)C2,0,GDB ChEMBL
261422,CCCC1C2C[NH+](C2)C1CNc1ncco1,0,GDB ChEMBL
271853,CCOC1C[NH2+]C(C2(O)COCC(O)C2O)C1,0,GDB ChEMBL
184515,CC1=CC2CCNC(=O)C2CC(C(C)C)=C1,0,GDB ChEMBL
255340,C#CCCC1CC2=CCCC2[NH+]1CC,0,GDB ChEMBL
111866,[NH3+]CC(O)C(O)C1COC(=O)O1,0,GDB ChEMBL
116391,O=C1CCC2OC2CN1,1,GDB ChEMBL
354087,CCOC(=O)CC(CCO)N(C(N)=[NH2+])C(N)=[NH2+],0,GDB ChEMBL
396079,CNc1ncc(C)c(-c2ccon2)c1Cl,1,GDB ChEMBL
308129,Cc1nc(CC[NH2+]CCCCC#N)c(N)o1,0,GDB ChEMBL
48139,CC(C)CC[NH2+]CCC1=CC=CC=CC=C1,0,GDB ChEMBL
236715,CC(C)(C)C1CC2CC1(C)OC2C1CCC[NH2+]1,0,GDB ChEMBL
340537,CC[NH+](C)CC#CCOCC(=O)[O-],0,GDB ChEMBL
175887,C[NH2+]C1C2CCC3(CCC3)C1C[NH+]2C,0,GDB ChEMBL
393927,CC1([NH3+])COC(=O)C(O)C1NCC(=O)NC=O,0,GDB ChEMBL
358219,Cn1nc(OCC2CN2)cc1C[NH3+],0,GDB ChEMBL
277668,CCNc1ncnc(CCO)ccoc1C=O,0,GDB ChEMBL
51352,C#CC1CC(Cc2ncc[nH]2)C1,1,GDB ChEMBL
332384,CC1C2CNC(CCC(C)(C)O2)C1[NH3+],0,GDB ChEMBL
277600,CN(C)c1c(F)nc(N)nc1F,1,GDB ChEMBL
50348,CNC1=[NH+]C2(CC2)CNC(=O)C1CO,0,GDB ChEMBL
130386,CC1(C)C(NC=O)CCC(C(N)=O)C1O,0,GDB ChEMBL
31295,CCC1(C(CCO)=NO)NC(=O)CCC1O,0,GDB ChEMBL
29192,CC(C)C([NH3+])C#CCCC#N,0,GDB ChEMBL
201378,CC1(CC#N)CNS(=O)(=O)C1,0,GDB ChEMBL
307878,[NH3+]CC1C=CC(c2ccccc2Br)C=CC1,0,GDB ChEMBL
68643,CCOC(=O)C1CN2CC2C1C(N)=[NH2+],0,GDB ChEMBL
285765,[NH3+]CC1C[NH2+]CCC2C1=Cc1ncccc12,0,GDB ChEMBL
344366,CC[NH+](C)C1CCC(=O)C(C)C1,0,GDB ChEMBL
391711,C#CCC1(O)CC=C(C)CC([NH2+]C)C1(C)C,0,GDB ChEMBL
331766,NC(=O)NCC1OCC(O)C2OC12,1,GDB ChEMBL
210726,CC(C)CC1C(C[NH3+])C[NH+](C)C2CCCN1C2,0,GDB ChEMBL
95903,CC1C(NC(N)=O)C(CC[NH3+])NS1(=O)=O,0,GDB ChEMBL
308273,CN(c1cc[nH]n1)C12CC1C(O)COC2=O,0,GDB ChEMBL
23603,C[NH+](C)C(CC(N)=O)CS(N)(=O)=O,0,GDB ChEMBL
246990,CC1OC2CC3CC[NH+](C)C4CC1(CO)C2C34,0,GDB ChEMBL
325746,O=CNC1C(O)CC(O)C(O)C1O,0,GDB ChEMBL
260131,CC1C2NC3C[NH2+]CCC(C32)[NH+]1C,0,GDB ChEMBL
254840,O=C1C=C(Nc2cnc(O)cc2F)CC1,1,GDB ChEMBL
9715,CNC1(CC#N)CN(C)C(CO)C(C#N)C1O,0,GDB ChEMBL
173881,CCn1nnc(C2C3CC(=O)OC2C(O)C3)n1,0,GDB ChEMBL
156730,CNC1(C#N)CC(O)CC(O)C1N,0,GDB ChEMBL
26596,COC1(C)C2CC[NH2+]CC(CC[NH2+]2)C1C(C)=O,0,GDB ChEMBL
306341,CC1C2C=CCOC1CC=CC2,0,GDB ChEMBL
201373,NC(CC(N)(CO)CO)=[NH+]CCO,0,GDB ChEMBL
222773,CC#CC(C)(C)CCc1cncc(C)c1,1,GDB ChEMBL
35688,CCC1CC2=C(C[NH3+])C=C(C)CCN2C1=O,0,GDB ChEMBL
203144,C1CC23CC(CC[NH+](C2)C3)[NH2+]1,0,GDB ChEMBL
370314,CC(C)(C)OC(=O)C1CCC1,1,GDB ChEMBL
221168,CC1(N2CC(C(=O)[O-])OCOC2=[NH2+])CCCC1,0,GDB ChEMBL
40376,CNS(=O)(=O)OCC(C)(O)C(=O)OC,0,GDB ChEMBL
4807,C#CC1([NH+]2CCCC2CC)CC(C)(C)C1,0,GDB ChEMBL
331753,CC1(O)C[NH+]=C(NC(N)=[NH2+])C=CC(O)C1,0,GDB ChEMBL
127712,CCCCC1CC(C)C(C)C2C([NH3+])C12,0,GDB ChEMBL
368153,CCC12CC(C(=O)[O-])C(C3OC31)N2C,0,GDB ChEMBL
211002,COC(=O)C1(C=N[O-])NC1CN(C)C(N)=[NH2+],0,GDB ChEMBL
351143,CC(CC(N)=O)C12CC(CC1O)OC2(C)C,0,GDB ChEMBL
71475,CC(=O)OC1C(C[NH3+])C1(C)NC=O,0,GDB ChEMBL
274250,COCC(=O)N1CCC(CO)C(C[NH3+])NC1=N,0,GDB ChEMBL
62042,CC(C)C(CCC(F)(F)F)N1CC1C,1,GDB ChEMBL
176530,CC[NH2+]CC(CO)CCNC(=O)S(=O)(=O)[O-],0,GDB ChEMBL
221090,Cn1ncnc1CC(=O)Nc1nc[nH]n1,1,GDB ChEMBL
214855,CCCCN(CS(=O)(=O)[O-])S(C)(=O)=O,1,GDB ChEMBL
180851,CC12C=C3c4cc(Cl)ccc4CC3C1C2,0,GDB ChEMBL
352646,CC12CC([NH3+])C(O)C(CC1O)O2,0,GDB ChEMBL
177895,COC(=O)C12CCC1([NH3+])C(O)C(C)N2,0,GDB ChEMBL
345690,CC1CC(CC(=[NH2+])NCCO)CC(=[NH2+])N1,0,GDB ChEMBL
116387,O=CC1COC(CO)CC[NH2+]1,0,GDB ChEMBL
111594,C[NH+]1CC=Cc2cnoc2NCCCC1,0,GDB ChEMBL
151764,N=C(N)S(=O)(=O)N1CCC(=O)NC(=O)CC1,1,GDB ChEMBL
245541,CC(=O)C12CC(C)C(C)[NH+](C1)C2,0,GDB ChEMBL
228330,N#CC(C(N)CO)C(O)C(N)=O,0,GDB ChEMBL
201392,N=C(NC(=O)CO)NC(=O)C1CN1,1,GDB ChEMBL
99452,[NH3+]CCC(=O)OCC1=CC[NH2+]CC1,0,GDB ChEMBL
141935,O=C(NC(CO)CO)N1CCC1,1,GDB ChEMBL
54788,CC(C#N)C1[NH2+]CC(C[NH3+])C1C,0,GDB ChEMBL
78356,O=C(OC12C[NH2+]C(C1O)C2O)N1CCCC1,0,GDB ChEMBL
84907,O=C1NCC2CCOCOC2C2CC12,0,GDB ChEMBL
194411,O=C1[N-]S(=O)(=O)CCCC2C(O)C3NC3C12,0,GDB ChEMBL
22034,CCC1(O)C(=O)C2CC(C)OCC1N(C)C2,0,GDB ChEMBL
11690,CC(O)(CCCO)Cc1ccc(Cl)nc1Cl,1,GDB ChEMBL
392741,CC1NC(=O)C2(N)COC2C1O,0,GDB ChEMBL
18801,N#CC(CCCC=O)C1(c2ccsc2)CC1,0,GDB ChEMBL
79497,COC(=[NH2+])N1CC(C#N)(CC(=O)[O-])C1,0,GDB ChEMBL
697,CC1(C)C2CC3CCC([NH2+]2)C31,0,GDB ChEMBL
355187,CC(C)CCc1ncc(Cl)cc1C(C)C,1,GDB ChEMBL
159745,CC1C(CC(=O)[O-])[NH2+]C2CC21C(F)(F)F,0,GDB ChEMBL
125603,CCC1(O)CNC(=O)OCC([NH3+])C1,0,GDB ChEMBL
174307,C#CC(C(=NCC#N)NC)C(O)CCCCC,0,GDB ChEMBL
121476,CCC12C(O)CCCC1C(CO)=CC2OC,0,GDB ChEMBL
55525,CN(C)C(=[NH2+])Nc1ccoc1CC(=O)[O-],0,GDB ChEMBL
203610,CCCc1cnc2c(c1)OCC(CC)C(C)C2,0,GDB ChEMBL
280001,CC1(C(O)C(N)=O)C[NH2+]C12CCOC2,0,GDB ChEMBL
157381,CCC1=C(CNC(N)=O)C[NH+](C)C1,0,GDB ChEMBL
332712,C[NH2+]CC1OCCC(=[NH2+])NC1(C)C,0,GDB ChEMBL
25165,COCC(CO)C([NH3+])C(CC(C)C)C(C)O,0,GDB ChEMBL
357631,CC1CC(CN)[NH2+]CC2CCC(C(C)O1)C2C,0,GDB ChEMBL
288116,CC1CC2(CCCCCO2)CC1C,1,GDB ChEMBL
207719,CNC(=O)C12CC3CC1C2O3,1,GDB ChEMBL
59219,C=C(C(=O)[O-])N1CCCCOC1=[NH2+],0,GDB ChEMBL
395593,C#CCc1c(C)n[nH]c1C,1,GDB ChEMBL
85706,C[NH2+]CCNCC1(C(N)CCO)CNC(=[NH2+])N1,0,GDB ChEMBL
130361,CC1CNC(=O)C(C=O)=CC[NH2+]1,0,GDB ChEMBL
76419,NC(=O)C1C(O)CC(=O)CN2CC12,0,GDB ChEMBL
358252,CCC1C2CC(O)C(=O)C12CNC(C)=O,0,GDB ChEMBL
342381,CC(=O)NC1C(O)C1(C)C(C)C[NH3+],0,GDB ChEMBL
8675,CNS(=O)(=O)CNC(C#N)(COC)C(=O)[O-],0,GDB ChEMBL
20740,COC(CC[NH3+])C(C)C(O)(C[NH3+])c1cn[nH]c1,0,GDB ChEMBL
244664,NC(=O)COCC(C=O)[NH+]=C(N)NC1CC1,0,GDB ChEMBL
379898,CCc1ccc(-c2ccsc2C)c(CC)c1,1,GDB ChEMBL
89101,CN=C1C([NH3+])CN1C(=O)OC,0,GDB ChEMBL
157474,CC#CCC(CCC)C(C)(C)CC(C)C,0,GDB ChEMBL
47814,CC(O)c1ccccc1C1CCNC(=O)CN1,1,GDB ChEMBL
194519,CC1CC(c2ccccc2F)CC12CC2,1,GDB ChEMBL
255966,OC1CCC2C(C1)CC1C[NH2+]CC12,0,GDB ChEMBL
182880,CC1C[NH+](C)CCCC([NH3+])CC(=O)O1,0,GDB ChEMBL
259515,CCc1nc(O)c(C)cc1C,1,GDB ChEMBL
219494,CCC(=O)Nc1nc(C(C)CC)c(O)cc1F,0,GDB ChEMBL
72406,CC([NH3+])c1nnn(CC(O)CO)n1,0,GDB ChEMBL
107821,CN(C=O)C(=O)C(CCO)OCCO,1,GDB ChEMBL
242663,CN=C1OC(CO)C(O)C1C,0,GDB ChEMBL
378939,CCNC(=O)CC(=O)C1(C)CCCC1O,1,GDB ChEMBL
124746,CC(CO)N=C1C([NH3+])C2C(C)CC(=O)N12,0,GDB ChEMBL
7422,C#CC(=C)C(CC)CCC=C(C)C,1,GDB ChEMBL
104471,CC1C=C2CCCOCC1C2,1,GDB ChEMBL
250557,N=C1COC(C(N)=O)C(C(=O)C(=O)[O-])N1,0,GDB ChEMBL
260158,CCn1nc(COC(C)=O)nc1NC,1,GDB ChEMBL
220183,CCC12C[NH2+]C(C)CC(=O)OCCN1C2,0,GDB ChEMBL
374223,CCCC[NH+](C)C(C)C1(C(C)C)CC1,0,GDB ChEMBL
6005,CC1CC(CC(C)(O)C[NH3+])C2(CCC2)C1,0,GDB ChEMBL
170243,CC1COC2CCCC[NH+]1C2CCC(C)(C)C,0,GDB ChEMBL
319850,N#CCc1c(Cl)ccc2c1CC(CO)C2C=O,0,GDB ChEMBL
9746,Nc1c(F)cc(OS(N)(=O)=O)c(O)c1O,1,GDB ChEMBL
382155,CC1CC(C)(C[NH+](C)C2CC2)C1,0,GDB ChEMBL
260117,CC1CCC2COCC2(CC2CC2)C1,0,GDB ChEMBL
372534,CCC1C[NH+]=C(NC(N)=[NH2+])N1,0,GDB ChEMBL
55514,Cc1c(N2CC2)oc2c(F)cccc12,1,GDB ChEMBL
339985,CC(C[NH3+])N(C(N)=[NH2+])C1C[NH2+]C1,0,GDB ChEMBL
181419,C#CC(CCC)C([NH3+])C1CO1,0,GDB ChEMBL
210451,CCNc1c(N)ncn(C(N)=O)c1=N,0,GDB ChEMBL
34197,C[NH2+]CC1(CCCO)C2CNC1(C)C([NH3+])C2O,0,GDB ChEMBL
267874,C#CC1C(=O)C=CC(=C)C1CCC,1,GDB ChEMBL
368461,C[NH2+]CCc1cc(C)c2cscc2c1,0,GDB ChEMBL
290134,C#CCC(=O)CC1(C(C)C)C[NH+](CCC)C1,0,GDB ChEMBL
385390,CC1CC(O)C(C)C(C=O)C1,1,GDB ChEMBL
148519,CCC1(C(=O)c2scnc2CO)CC[NH2+]C1,0,GDB ChEMBL
81028,O=CC1OC2CC[NH2+]C(C2)C1O,0,GDB ChEMBL
265525,CC(O)C1C2C(CNS2(=O)=O)N1C(N)=O,0,GDB ChEMBL
21994,COc1cc(C(C)(O)C(C)C)nc(C=O)n1,1,GDB ChEMBL
383315,C#CC12C[NH2+]C(C)C1CC(C)O2,0,GDB ChEMBL
334597,C#CC(O)C1CC(C(C)(C)CC)CCCC1C,0,GDB ChEMBL
294472,CC1=CC2=CCCCC2(C)C(C)C1,1,GDB ChEMBL
59611,CC(C)[NH+]1CCOC(=O)C(O)C1,1,GDB ChEMBL
228890,C#Cc1cnccc1C1CN1c1nccs1,1,GDB ChEMBL
323295,C#CC1CCCC(OC)C2CCC(CO)(C1)C2,0,GDB ChEMBL
334426,COC(=O)C1(O)CNC1C(C)(C)O,0,GDB ChEMBL
375992,C#CCCC(=O)C1(O)CC([NH2+]C(C)(C)C)C1,0,GDB ChEMBL
202849,NC(=O)C12C([NH3+])C1C(=O)OC2C(O)C[NH3+],0,GDB ChEMBL
333105,C[NH2+]CCC1C2NC(=[NH2+])NC12C(=O)[O-],0,GDB ChEMBL
372516,C[NH2+]C(CCCC(C)([NH3+])CO)CN(C)C,0,GDB ChEMBL
124230,N#CC(CS(N)(=O)=O)N1CCCC1,1,GDB ChEMBL
18381,CCCc1cc(CC)cc(Cl)c1C(C)CCC,1,GDB ChEMBL
61941,CC1NC(CS(N)(=O)=O)C2OC(CO)C1O2,0,GDB ChEMBL
102294,CCNC(=O)C1OC1C(OC)S(N)(=O)=O,0,GDB ChEMBL
151784,CC([NH3+])C1(O)CNC(CO)C(C#N)C1O,0,GDB ChEMBL
331206,NC(=[NH2+])CC(=O)C1CCS(=O)(=O)N1,0,GDB ChEMBL
195344,NC(=[NH2+])NCC1C2NCC(=O)C12,0,GDB ChEMBL
368205,CC(CO)C(C)(C#N)CC#N,0,GDB ChEMBL
69598,O=CNCCCn1cnnn1,1,GDB ChEMBL
363024,CNC(=[NH2+])C(NCC(C)C#N)C(C)O,0,GDB ChEMBL
217656,CCC1(CCNC(=O)C(C)C)CC(=N)NC1=[NH2+],0,GDB ChEMBL
121493,C#CCC(CCC)N(CC[NH3+])Cc1ccoc1,0,GDB ChEMBL
223561,CC1CC2CCCC(O1)C1CCCCCC21C,0,GDB ChEMBL
292515,CC(NC(C[NH3+])C(CNC=O)C(=O)[O-])C(N)=O,0,GDB ChEMBL
385380,NC1C[NH+]2CC(O)C3OCC4(NC1=O)C3C24,0,GDB ChEMBL
199043,C#CCC(C)([NH3+])c1c(C)ccc(CC[NH3+])c1Cl,0,GDB ChEMBL
357663,CCCN(C)C(CO)c1nnn[nH]c1=N,0,GDB ChEMBL
314953,C=C(CC([NH3+])CCC)C(=C)C1CC1,0,GDB ChEMBL
34966,CNC1(C#N)COCC(C)C1,1,GDB ChEMBL
135434,CC1CC(O)C(C)(C=O)C(C=O)[NH2+]C1C,0,GDB ChEMBL
127248,CC(C[NH3+])C1CCC2(C)CCC[NH2+]C12,0,GDB ChEMBL
354815,CC1CC2CNC(=O)C(C(C)O)C2(O)C[NH2+]1,0,GDB ChEMBL
287030,CN1C(=O)C(CO)C2NC(=O)C1C2[NH3+],0,GDB ChEMBL
322833,C[NH2+]C(CO)Cc1cnn[nH]1,0,GDB ChEMBL
318017,O=C(CC1(C(=O)[O-])CCOC1)NC1CC1,0,GDB ChEMBL
325871,CCOCCCC#CC1(C)C=C(C)CC1,1,GDB ChEMBL
95188,CC1C(C(N)=O)CC2(C)CC12,1,GDB ChEMBL
170126,CCC(=O)CNCc1n[n-]nc1C(N)=O,0,GDB ChEMBL
328891,CC(C#N)N=C(N)NCC[NH3+],0,GDB ChEMBL
140886,C=C1CCC(C)C2CC(C#N)CC12,1,GDB ChEMBL
197467,N#CC1CC2(N)C(OC(N)=O)C2OC(=O)N1,0,GDB ChEMBL
308115,[NH3+]CC1C=CC([NH3+])CCC1,0,GDB ChEMBL
133014,C=CCC=CCC(C)C=CCOC,0,GDB ChEMBL
238000,CNC(=O)C1OC2C(O)(C[NH3+])C2(O)C1O,0,GDB ChEMBL
87090,NC(=[NH2+])N1CCC(S(N)(=O)=O)C(O)C1,0,GDB ChEMBL
222793,CCC1(C)C2CCC1C([NH3+])C1OCC[NH2+]C1C2,0,GDB ChEMBL
384285,CC1(C)CC(C#N)NC2CC2C1,0,GDB ChEMBL
131672,CNC(=O)C1C2CNS(=O)(=O)C1C2O,0,GDB ChEMBL
149960,Cc1c(C(=[NH2+])NCC(C)O)ncc(N)c1C#N,0,GDB ChEMBL
362192,CC1=CC(=O)OC(C)CC(CC[NH3+])C(=[NH2+])N1,0,GDB ChEMBL
351283,C#CC1(COCCC)CCCC2CC(=O)NC21,0,GDB ChEMBL
356516,C#CCOc1cc(C2CC2)c(C)c(CC)n1,1,GDB ChEMBL
86678,C#Cc1c(CCC)cc(Br)c2c1C(CC)CC2,1,GDB ChEMBL
300571,c1cc2cc(c1)C1CC1[NH2+]CCCCCO2,0,GDB ChEMBL
362341,CN(C=O)C(C)(C)CCCC(=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
361760,CCC[NH2+]C12CCCC(C1C)C(C)(C)C2,0,GDB ChEMBL
107788,CC1C(=O)NC2C(=O)OC(C(=O)[O-])C12[NH3+],0,GDB ChEMBL
87149,CC1NC(C([NH3+])C(=O)[O-])C1C[NH3+],0,GDB ChEMBL
102118,C[NH2+]CC(C=O)CCC=O,0,GDB ChEMBL
366601,CC(CNC(N)=[NH2+])C1[NH2+]CC1CO,0,GDB ChEMBL
312519,CN1CC2C1C(=O)OC21CCC([NH3+])C1O,0,GDB ChEMBL
61858,CCC1(CC(C)C)CC1(C#N)CCOC,1,GDB ChEMBL
290544,CCOCCCCC(=O)c1nonc1[O-],0,GDB ChEMBL
304820,CC(CCO)C12C=CC=C1CCC2,0,GDB ChEMBL
22005,CC1CCC(C)C2(C1)CC(C)CCC2C,0,GDB ChEMBL
375510,CC1(C)CC2=CC1CCOCC2,0,GDB ChEMBL
62765,CCNc1c(C)c(N)n(CC)c1C[NH3+],0,GDB ChEMBL
77760,CCC(CC)C1=CC(C)CCCC1,1,GDB ChEMBL
263800,NC(=O)c1n[n-]c2ncnc(O)c12,0,GDB ChEMBL
305146,CC(C)C(CCO)C12CN(CC(=O)CO1)C2,0,GDB ChEMBL
308317,COC1(C)C(C[NH3+])C1CCCC([NH3+])CN,0,GDB ChEMBL
396725,C#Cc1cc2ccn(CC)c2c(F)c1F,1,GDB ChEMBL
315242,CC[NH+]1C(CC(C)O)CC2CCC1C2=NO,0,GDB ChEMBL
120414,CCC1CCC2CC2CCC1C(C)C,0,GDB ChEMBL
30313,CCCC1C(C)C2CCC([NH2+]2)C1[NH3+],0,GDB ChEMBL
698,CC(C)C1CC(C)C2CC([NH3+])CC12,0,GDB ChEMBL
98853,CCC1=Nc2c(cc(Cl)c(Cl)c2Cl)CN1,1,GDB ChEMBL
107789,CCCC(C(C)C)C(C#N)CC1CCCCC1,1,GDB ChEMBL
380617,CCC(C)C1CC2CCC(C2)CC1C,1,GDB ChEMBL
330069,N#CC1NC(C[NH3+])C2CCOC12,0,GDB ChEMBL
119282,CC12CCCC3CC(C1)C(O)C2C3,0,GDB ChEMBL
227592,CC(CS(N)(=O)=O)C(O)C#N,1,GDB ChEMBL
283423,C[NH2+]CC(OC(N)=[NH2+])C1C[NH+](C)CCN1,0,GDB ChEMBL
208550,CCC1C2CC2CCCC1(C)C,1,GDB ChEMBL
198809,CNC=[NH+]CCC([NH3+])CO,0,GDB ChEMBL
32040,N#CC1Cc2nc(N)ncc2OC(=N)N1,0,GDB ChEMBL
371709,CC1COc2ncnc(Cl)c21,1,GDB ChEMBL
103920,CCNc1c(C#N)cnc(C[NH3+])c1I,0,GDB ChEMBL
161423,CCc1nc(N)c2occc2c1C(C)(C)CO,0,GDB ChEMBL
176546,CCC([NH3+])C1CC[NH2+]C2CC2C1,0,GDB ChEMBL
320275,C#CC1CC#CC(C)CCC[NH+](CC)C1,0,GDB ChEMBL
204157,CC1C(=NO)CCCC1C(CO)C(=O)[O-],0,GDB ChEMBL
280664,c1[nH]nc2c1NCC[NH2+]C2,0,GDB ChEMBL
147285,CC1=CC=C2Cc3ccc(Cl)cc3C2=CC1,0,GDB ChEMBL
227894,CC(NC(=[NH2+])OC(C)C(N)=O)C(=O)CCO,0,GDB ChEMBL
305356,CCC12CCC([NH3+])CC(CCCC1(C)C)O2,0,GDB ChEMBL
301522,N=C(CC1CN1)OC(=O)CNCCCO,1,GDB ChEMBL
70128,CC1OC(=O)NC2CC3CC3(C)C2C1O,0,GDB ChEMBL
391759,NC(=[NH2+])Nc1cc(C(N)=O)[n-]c(=O)n1,0,GDB ChEMBL
271085,CCCc1ccccc1C(C)CCC,1,GDB ChEMBL
355430,CN(C)C(=O)N(C=O)C1(C)C[NH2+]C1,0,GDB ChEMBL
396738,CC1C2C13C(O)CC(C(=O)[O-])C3NS2(=O)=O,0,GDB ChEMBL
54102,CC1CC(C(N)=[NH2+])OCC(O)CC(=O)N1,0,GDB ChEMBL
185276,COCC(NC(C)=O)C1(C#N)OC1C(=O)[O-],0,GDB ChEMBL
250651,N#CCC1C(N)C(=O)N1C(N)=O,1,GDB ChEMBL
87118,CC1[NH2+]C(C(=O)[O-])C2(O)CNC(=O)C(O)C12,0,GDB ChEMBL
304647,CN(C)C(=[NH2+])c1coc2cc(Cl)nc(O)c12,0,GDB ChEMBL
309161,C#CC12C[NH2+]CC(Cc3c(ccnc3C)C1)O2,0,GDB ChEMBL
207000,CC(=N)OC(=O)C(O)(CO)C(O)CC(N)C[NH3+],0,GDB ChEMBL
228486,CCC(C)CC1(C)CCC2CCCC1CC2C,0,GDB ChEMBL
247388,CCCC(O)C(=O)c1cc[nH]n1,1,GDB ChEMBL
42614,CCCC(NC(N)=[NH2+])(C(C)=NO)C(C)O,0,GDB ChEMBL
148835,CC(C)CC1(CC[NH2+]C(C)C)OC1C=O,0,GDB ChEMBL
278198,CCn1ncc(OC(=O)CNC=[NH+]C)c1C,0,GDB ChEMBL
244351,CCC(CC1CC1)C1CC(=NO)C[NH+](C)C1,0,GDB ChEMBL
97164,O=C1OCC[NH2+]C(Cc2ccn[nH]2)C(O)CO1,0,GDB ChEMBL
354870,COC1OC(=O)CN(C=O)C1C(C)O,1,GDB ChEMBL
51056,C=CC([NH3+])CC1CCCCC(C)C1,0,GDB ChEMBL
231160,CC1C2CC3C[NH+](C)CC1C3C2,0,GDB ChEMBL
344295,C#CCc1ccc(O)c(Nc2ccccc2)c1,1,GDB ChEMBL
183503,CC(O)C1CCC2OCCCOC21,1,GDB ChEMBL
351422,CC1CC[NH2+]C2C3OCC23C1,0,GDB ChEMBL
89324,COC1CC23C[NH2+]CC2C3C1C,0,GDB ChEMBL
160052,C#Cc1cc(Cl)c2c(c1)CC1(C)OCCC1N2,0,GDB ChEMBL
330916,C[NH2+]C1(c2cccs2)CC(O)C1,0,GDB ChEMBL
231097,CC1=CCC(C)(C)C(C)C[NH2+]C(C)C(C)C1,0,GDB ChEMBL
24758,C#CC1CCCC(CCC)(CCC[NH3+])C1,0,GDB ChEMBL
322963,CC1C2NS(=O)(=O)CC12NC(N)=[NH2+],0,GDB ChEMBL
263512,CCCC(C)CC1CC2(C(F)(F)F)CC1C2,0,GDB ChEMBL
386473,COC(=N)C(CC[NH3+])C(C)N(C)C(N)=[NH2+],0,GDB ChEMBL
109601,O=C([O-])C(NS(=O)(=O)CO)C(O)CO,0,GDB ChEMBL
51373,Cc1cccc(C2C=CC(C)C3CCC23)c1,0,GDB ChEMBL
111474,CC1(c2cc(O)ncc2Cl)CC1,1,GDB ChEMBL
359187,COCC(=N)N1CCC(=O)N(C)C(C)(C)C1=N,1,GDB ChEMBL
358840,CCC([NH2+]C)C1(CCO)CC1,0,GDB ChEMBL
26983,CC12CC(C1)[NH+]1CCCCCC2(C)C1,0,GDB ChEMBL
13912,O=CNCCC1COc2nccn21,0,GDB ChEMBL
115909,C=CC1C(O)C[NH+](C)CC12CCO2,0,GDB ChEMBL
130221,C=CCc1c(CC)[nH]c2ccsc12,1,GDB ChEMBL
370385,CC1=CCCCC=C1C(C)(C)CCC(N)=O,0,GDB ChEMBL
127933,CCC(C)C1CC(C(CC)C(C)C)C(C)(C)C1,0,GDB ChEMBL
320259,N#CC1=CC(=O)OCC(=N)NC(=O)OC1,0,GDB ChEMBL
293830,CC1COc2c1cc(F)c(CC1CC1)c2F,1,GDB ChEMBL
221905,CCC([NH3+])C1C(=O)NC(C)CCC1(C[NH3+])OC,0,GDB ChEMBL
201080,CC(C)CCC#CCCCC(C)C,1,GDB ChEMBL
260123,CC(=O)C1(C)CC(C)C(=O)O1,1,GDB ChEMBL
48053,CN(C)c1ccc(C(N)=[NH2+])c2c(N)scc12,0,GDB ChEMBL
190491,COC1COCCC(C2CC2[NH3+])C1O,0,GDB ChEMBL
143497,[NH3+]C1CCOc2ncsc2CC1,0,GDB ChEMBL
131647,C=CC(C)C1CC2CCC1C2(C)C,1,GDB ChEMBL
276087,CCC1C2C=C(C)C1c1ncc(Cl)cc1C2,0,GDB ChEMBL
157099,CCCC(O)C(CC(=[NH2+])NC)C1(C)CO1,0,GDB ChEMBL
41168,CCCCCC(C)(O)C([NH3+])CCC1(C)CC1,0,GDB ChEMBL
381477,COC(=O)N(CC#N)C(N)=NCC(=O)[O-],0,GDB ChEMBL
26800,CC(O)C(CCO)Nc1c([O-])nsc1NC=O,0,GDB ChEMBL
38568,CC#CC(COC)CC(N)C(N)=[NH2+],0,GDB ChEMBL
216609,CC(C[NH3+])C1C2C(=O)OCC3OCOC3C21,0,GDB ChEMBL
239372,CC1CC([NH3+])CC2CC1C2(C)C,0,GDB ChEMBL
233933,Cn1cnc2c1NCC(O)CN2,1,GDB ChEMBL
179109,CC(C)C=CCc1ccccc1F,1,GDB ChEMBL
48000,[NH3+]C1CNS(=O)(=O)C2CC2C1C(=O)[O-],0,GDB ChEMBL
205916,[NH3+]C1CCCN2CC2C(O)C1O,0,GDB ChEMBL
114382,C[NH+]1CCCCC(CCO)CCC2CCCC21,0,GDB ChEMBL
317359,NC(=O)C1C(O)C2C(=O)COC(=O)N12,0,GDB ChEMBL
124146,C[NH+]1CCCC=CC#CCC2CC2C1,0,GDB ChEMBL
95155,Cc1cc(C)c(OC=O)cn1,1,GDB ChEMBL
186566,C[NH2+]CCC1CC2[NH2+]C1CNC(C)(CO)C2N,0,GDB ChEMBL
380623,N#CC1COC(=O)NC2C(O)C(O)C(=O)OC12,0,GDB ChEMBL
264946,COC1C(O)C(C)([NH3+])C(CO)(C(=O)[O-])C1C#N,0,GDB ChEMBL
252289,CCOC1CCOC(=O)C2(CC2)C1C,1,GDB ChEMBL
315257,CCC(COC)N=c1cc(C)nc(C)[nH]1,1,GDB ChEMBL
349497,C[NH2+]CCC(C=O)NC1=[NH+]C(C)(C)C(C#N)C1,0,GDB ChEMBL
362684,CC1CC=Cc2c(ccnc2Cl)C1C=O,0,GDB ChEMBL
298060,[NH3+]C1C=CC2CC12C(O)C1CCCNC1=O,0,GDB ChEMBL
379173,C#Cc1c(N)cc(C(=O)COC)nc1C(=O)[O-],0,GDB ChEMBL
48701,CCCc1ccc(C[NH3+])scnc(O)n1,0,GDB ChEMBL
99112,c1cc(C2CCCC3CC2C2CCOC32)co1,0,GDB ChEMBL
235705,CCc1noc(CC(O)(C#N)C(=O)[O-])n1,0,GDB ChEMBL
5882,C#CCC1c2cc(C(C)[NH3+])ccc2CC1C,0,GDB ChEMBL
147911,C=C1C=C(C)CC2C[NH2+]CCC12C,0,GDB ChEMBL
375720,CNC1(C(N)=O)C(C)C1OS(N)(=O)=O,0,GDB ChEMBL
126644,O=C1NCCCCC1O,1,GDB ChEMBL
166455,CC1(C)CC(c2cc(Cl)ccc2N)C1,1,GDB ChEMBL
11400,CCCn1cnc(C2(C)CN2)c1,0,GDB ChEMBL
148331,CC([NH3+])C[NH2+]C1CC2C(C)CCC2(O)C1,0,GDB ChEMBL
259439,Cc1nc(C)c(NC(N)=O)c(F)c1C=O,1,GDB ChEMBL
314132,CC1CCC([NH3+])C[NH2+]C2CC12,0,GDB ChEMBL
300697,CCCC(C)CC(C(C)=O)C1(CO)CNC=[NH+]1,0,GDB ChEMBL
70300,N#CC1C(O)C(=O)N1C(=N)N,1,GDB ChEMBL
234522,COCCC1NC(=O)C1(C)[NH+](C)C,0,GDB ChEMBL
292665,CCCC(C)c1c(CC)ccc(O)c1Br,1,GDB ChEMBL
169419,CC1C[NH2+]C1(C)C=C1CCOC1=O,0,GDB ChEMBL
70164,CCC1CC2([NH3+])CC(C)C3C(CC(=O)O1)C32,0,GDB ChEMBL
317607,C=CCC1C=CCCOC1C(=O)[O-],0,GDB ChEMBL
234431,COCC1CNC(=O)CC1(OC)C(=O)CCO,0,GDB ChEMBL
215380,CCC1(C2NC(=O)CC2[NH3+])CCO1,0,GDB ChEMBL
382979,C#CC(C[NH3+])OC(=O)CC(N)=O,0,GDB ChEMBL
338549,CC[NH+](C)C(C)C1CCC=C1C(=O)[O-],0,GDB ChEMBL
53851,CC12CC(O)C(C1)N(C1COCC1=O)C2,0,GDB ChEMBL
324270,CC1NC(=O)[C-](C#N)C1(O)CO,0,GDB ChEMBL
372637,CC1=CC[NH2+]Cc2c1ccc1[nH]cc(C)c21,0,GDB ChEMBL
269328,N=c1[n-]nc(C(=O)NCCO)s1,0,GDB ChEMBL
304162,CCS(=O)(=O)N1CC1(CO)CO,1,GDB ChEMBL
33552,CC1[NH2+]C2(CN)C(CC2(O)C(=O)[O-])C1O,0,GDB ChEMBL
137411,NC(=O)N1CC(C[NH3+])CC1=O,1,GDB ChEMBL
306369,CCC(=O)c1cc(NC2CC(C)C2)on1,1,GDB ChEMBL
35504,CC[NH2+]C(CC)CC1CC(C)N1C=O,0,GDB ChEMBL
275558,CC(O)CC(=O)C1=CC(C)(C)OC(=O)C1,0,GDB ChEMBL
87712,Cc1cc(NC=O)c(C[NH3+])ccnco1,0,GDB ChEMBL
254842,NC(=O)N(C=O)CCCS(N)(=O)=O,1,GDB ChEMBL
318075,CS(=O)(=O)NC1=NCCNC(=O)C1,0,GDB ChEMBL
376655,CC(=O)OCC1CC(C=O)C1,1,GDB ChEMBL
71463,C#CCC#Cc1cc(Br)c2c(c1)CCN2,1,GDB ChEMBL
183428,CC[NH+]1CC=C2C(C)C(CCC(C)=O)CC21,0,GDB ChEMBL
394927,O=C1NCC(CO)=CCCC12CCC2,1,GDB ChEMBL
21910,CNC(=O)C(O)C1(CCO)OC1S(N)(=O)=O,0,GDB ChEMBL
238585,CCC#Cc1c(CCCN2CC2)ncn1C,1,GDB ChEMBL
277710,CC#CC([NH3+])C=Cc1ccncc1,0,GDB ChEMBL
23588,O=CC(C=O)NC1CCCCC1,1,GDB ChEMBL
199078,CCOC(C)CCCC(CC)CC,1,GDB ChEMBL
180992,CCc1cccc2c(C)sc(N(C)C)c12,0,GDB ChEMBL
79623,CC1C[NH2+]CC2(OCC(CO)O2)C1C(N)=O,0,GDB ChEMBL
47757,C#CC(=[NH2+])N(C)CCCC(CC)CC[NH2+]CC,0,GDB ChEMBL
70318,CC1C(O)CC2(C)C3C[NH+](C3)C(C)C12,0,GDB ChEMBL
383006,C#CCC1CCCCC(C#N)[NH+]2CC(C)C12,0,GDB ChEMBL
162514,CNC(=N)N(C)S(=O)(=O)CC(C)C=O,1,GDB ChEMBL
300431,N=C(N)NC(=O)C1(OC(N)=O)CNC1,1,GDB ChEMBL
122926,NC(=O)C1CC2C3CC1[NH2+]C32,0,GDB ChEMBL
360845,Cc1cc(OC(C)C2(C)CCCCC2)ccn1,1,GDB ChEMBL
351338,N#CCC(CO)N(C=[NH2+])CCCS(N)(=O)=O,0,GDB ChEMBL
292968,COc1c(C)c(C)occc(N)c(N)c1CO,0,GDB ChEMBL
199442,CCC1CC(=O)NC(=NC)N2CC(N)C(C2)O1,1,GDB ChEMBL
215277,C#CC1C(C)C2[NH+](CC)C1CCC2(C)O,0,GDB ChEMBL
45674,Cc1cc(Br)c(C(N)=[NH2+])c(C(=O)[O-])c1O,1,GDB ChEMBL
222858,N=C(N)N1CC(C#CC(O)CO)C1=O,0,GDB ChEMBL
300548,Cc1c2c[nH]c(=[NH2+])c1C(=[NH2+])NCCCCC2,0,GDB ChEMBL
258027,CC1[NH2+]C2CC(C#N)C1C2CO,0,GDB ChEMBL
269186,CCCCC(C1CCCC1)C(C)C1CC1C,0,GDB ChEMBL
34348,CCCC1C(OC)CC2C(=O)C1OCC2(C)C,0,GDB ChEMBL
311641,C#CC(CC)NC=[NH+]CCC(C)[NH3+],0,GDB ChEMBL
24534,CCCC(=[NH2+])N1C2CCC1(CC[NH3+])CC2,0,GDB ChEMBL
292901,COc1c(C)cc(Br)c(C#N)c1N,1,GDB ChEMBL
376647,CC(C)C1(C2C=CCC=CCC2)CC1,1,GDB ChEMBL
245873,CC1C2(C=CCC2)C1(C)c1ccc(Br)cc1,0,GDB ChEMBL
194716,C[NH2+]Cc1cc(C)c(C(=O)CN=COC)cn1,0,GDB ChEMBL
263213,CCC1(O)CCCC2CC(CO)C([NH3+])C21,0,GDB ChEMBL
179267,CCCC1C2CC(C)C(C)(O)C12,1,GDB ChEMBL
66710,[NH2+]=C1Cc2ncc3cc[nH]c3c2OCCN1,0,GDB ChEMBL
144565,N#Cc1nc(C(=O)[O-])cnc1N,0,GDB ChEMBL
174028,C#CCCC(C[NH2+]C)c1nc(N)c(F)cc1C,0,GDB ChEMBL
355345,CCOC(=O)c1ccncoc(N)cc1,0,GDB ChEMBL
214045,N#CCNCC(=O)NC(=O)c1[nH]ncc1[O-],0,GDB ChEMBL
103474,N#CCCC1(O)CCNC(=O)NC1C=NO,0,GDB ChEMBL
302480,CC(=N)N1C(=O)OC2C(C)(CCO)C21C[NH3+],0,GDB ChEMBL
352825,Cc1cc(Br)cc2c1CC1=CC(C)CC12,0,GDB ChEMBL
94725,CC(O)C1C(C(C#N)C=NO)N1CC(N)=O,0,GDB ChEMBL
258749,CCC1=NCC(C[NH2+]C)N1C(=O)NC(=N)N,0,GDB ChEMBL
290271,CC1OC2CCC3(CC[NH2+]C3)C1C(C)(O)C2,0,GDB ChEMBL
127029,CCCC1C2CC(CO)=CCCCC(O)C12,0,GDB ChEMBL
115459,CCC(=O)C1C2C(=O)NC(=O)N12,0,GDB ChEMBL
187252,CC(CC=O)C(CO)CC1CC1,0,GDB ChEMBL
316262,COCC1=C(C)NC(=O)C2(COC2)C1CO,0,GDB ChEMBL
50354,C#CCCCC(=O)OCCC,1,GDB ChEMBL
192577,CN1C(=O)NCC2OCC13CC23,0,GDB ChEMBL
110190,COC1(C)C(CC#N)C1(C)C,1,GDB ChEMBL
355435,C[NH2+]C1CCC(C2(C)OC2C)CC1C,0,GDB ChEMBL
71262,CC(=O)N1CC2(NC2C(N)=O)C(N)C1=O,0,GDB ChEMBL
119840,CC1=CC=CCC2(C[NH+](C)C)CC(C1)C2,0,GDB ChEMBL
284824,C#Cc1c(Br)ccc(CCC)c1CC(F)(F)F,1,GDB ChEMBL
142406,COC(=O)CCNC(=O)C(=O)[O-],1,GDB ChEMBL
147544,CCC1CCC2(CC1)NC1(CC1)CNC2=O,1,GDB ChEMBL
130177,C#CC1CCC(c2ccccc2F)=CC1C,1,GDB ChEMBL
59235,C#CCCC1=C(C)C(=O)NCC1C,1,GDB ChEMBL
112874,CCc1cc2c(nc3c(Cl)cccn32)s1,1,GDB ChEMBL
104415,c1cncc(CC2CC23CC[NH2+]C3)c1,0,GDB ChEMBL
394226,C#CC(CC)C1OC(=O)C=C1NCCOC,0,GDB ChEMBL
382483,CC1C2CC3CC(C1CO2)[NH+](C)C3,0,GDB ChEMBL
353571,CC1CCCC[NH+]=C(C(C)C(F)(F)F)NC1,0,GDB ChEMBL
271010,CCCCCC#CC1(C2CC2C)CC1,1,GDB ChEMBL
75850,CCCC1C(CCC(C)O)CC(C)C1(C)CC,0,GDB ChEMBL
4823,CC1=CC[NH2+]C2CCOCC2C1,0,GDB ChEMBL
267924,N=C(N)N1CCC([NH3+])C(N)C1=O,0,GDB ChEMBL
341193,C#CCC1CC2CCCC(C)=CCCC12C,0,GDB ChEMBL
77395,Nc1cc(O)c(N)[nH+]c1CCO,0,GDB ChEMBL
388275,C#CC1CCC2(C)C(CCC)CCC12,0,GDB ChEMBL
375125,CCC#CC([NH3+])C(C)CC1COC(C)C1,0,GDB ChEMBL
28336,CCCC1(C2CCC2)CC(CCO)C1,0,GDB ChEMBL
390543,CC(C)C1=CCC(=O)NCC=C1,0,GDB ChEMBL
39988,COc1nn(C)c(N)c1OS(N)(=O)=O,1,GDB ChEMBL
34719,C#CC(CC(=O)C(N)=O)C(C)(C#N)OCC,0,GDB ChEMBL
61948,O=CC(=O)N1CCCNC1=O,1,GDB ChEMBL
204387,OCCC1C[NH2+]CCOC1,0,GDB ChEMBL
104352,CC1CC2(CC2)C(O)CC([NH3+])C2CC12,0,GDB ChEMBL
249557,Cc1nc(COC(N)=O)c[nH]1,1,GDB ChEMBL
181559,CNC(=O)C(=N)NC(C)C([NH3+])CO,0,GDB ChEMBL
393569,CCCC1C2CC(C(CC)C2C)C1(C)CCC,0,GDB ChEMBL
40366,Cc1c(I)ccc(C(C)C)c1CCCC(C)C,1,GDB ChEMBL
48198,CC(C)C(C)C(O)CC(C#N)N1CC1C,1,GDB ChEMBL
388285,C[NH2+]C1Cc2c([nH]c3c(C)c[nH+]cc23)C1C,0,GDB ChEMBL
383736,CC(OCCc1nn[n-]n1)C(=O)[O-],0,GDB ChEMBL
285591,CCC(C(CC)C(C)(C)CC)n1ccc(C)c1,0,GDB ChEMBL
227286,CC(CO)C1CC[NH2+]C(C)C(N)(C#N)CN1C,0,GDB ChEMBL
156129,NC(=[NH2+])Nc1noc2c1C(=O)CNC2,0,GDB ChEMBL
98517,CCC([NH3+])(C(=O)[O-])C1CO1,1,GDB ChEMBL
112052,[NH3+]CCOC1C=CCCCC2CC2C1,0,GDB ChEMBL
54075,O=S1(=O)CC(O)C[NH2+]CCN1,0,GDB ChEMBL
16755,CC1NCC(O)C2CC2OC1=O,1,GDB ChEMBL
340431,C#CC1CC[NH2+]C(C)C2(CC2)C1,0,GDB ChEMBL
168433,CC1(O)COC(C2(C#N)CCCN2)C(C[NH3+])C1,0,GDB ChEMBL
275629,CC(O)(CNC(=O)CC[NH3+])C1CO1,1,GDB ChEMBL
263828,CCC(=O)NC(=O)OCC(C[NH3+])C1(O)CC1,0,GDB ChEMBL
261163,N#CCC1CC2OCOC(CN1)C2O,0,GDB ChEMBL
362324,CCC(CCC(C)[NH+]=CN)CC([NH3+])CN,0,GDB ChEMBL
16052,CC1C2C=CC1(C[NH3+])CCCCCCC[NH2+]2,0,GDB ChEMBL
286320,Cc1c(CCO)nc(NC=O)n1C,1,GDB ChEMBL
28371,O=C([O-])CCOS(=O)(=O)NCCO,1,GDB ChEMBL
30368,CC1(C(=O)[O-])C2CCCC1[NH2+]2,0,GDB ChEMBL
77867,CC1Nc2[nH+]c(N)cc(F)c2C(=N[O-])C1(C)C,0,GDB ChEMBL
340119,CC1(O)CC2(CCCCCCCC2)C1,1,GDB ChEMBL
189991,[NH3+]Cc1c(C(=O)[O-])noc1C1COC1CO,0,GDB ChEMBL
354096,NC(=[NH2+])C1C(CO)OC(=O)N1C=O,0,GDB ChEMBL
179181,COC(C)c1ccc(F)cc1F,1,GDB ChEMBL
254274,O=C1NCC(O)C12C1CC2C1,0,GDB ChEMBL
333111,O=C([O-])C1CC(O)C2[NH2+]CC(O1)C2O,0,GDB ChEMBL
77374,CCOCCOCC1COC1,1,GDB ChEMBL
201084,CCC1CC(O)C2(C)COC(C)C2C1,0,GDB ChEMBL
245803,N#CC(N)C(C(=O)[O-])C1CC(N)(C#N)CC1O,0,GDB ChEMBL
315244,CC1=CC=CCCCC=CCC(CC[NH3+])=C1,0,GDB ChEMBL
6814,[NH3+]C(C(=O)[O-])C1C(CO)OC2C(O)C21O,0,GDB ChEMBL
317744,NC(=[NH2+])NC1=CC2OC(=O)C1CCNC2=O,0,GDB ChEMBL
160043,COCCC(C)(C)Cc1c(C)ccc(C)c1C,1,GDB ChEMBL
181591,NC1=[NH+]CC(N)C(O)C(=O)NC1,0,GDB ChEMBL
179157,CN=C1CC(CCN(C)C(C)=[NH2+])CO1,0,GDB ChEMBL
72407,C#CCCCC(C(C)=O)C(=O)C(C#C)COC,1,GDB ChEMBL
290311,CS(=O)(=O)C1C2OC1C(CO)CNC2=O,0,GDB ChEMBL
262542,CCCC1CC(COC)CC2CC=CC1C2,0,GDB ChEMBL
119678,COC(=O)C(C)C1C=CC(C2C(C)C2[NH3+])C1,0,GDB ChEMBL
250672,N#CCCOC(N)=NC1CC1O,0,GDB ChEMBL
375901,CCn1cnc(NC(C[NH3+])C2COC(N)=N2)n1,0,GDB ChEMBL
164657,C#CC([NH3+])C1OCC2CC(C)(C[NH+](C)C)CC21,0,GDB ChEMBL
398739,CCCCC1CC23CC(C2[NH3+])N1C3,0,GDB ChEMBL
98829,CC1CCCC2C(N)CCN2C(=[NH2+])C1,0,GDB ChEMBL
360818,CN1C(=O)C(=O)C(C)(O)C(O)CCC1CCO,0,GDB ChEMBL
252344,CCC(N)=[NH+]C1CCCC(=O)C1,0,GDB ChEMBL
81092,CC(C)C1=CCN(CC[NH3+])C1,0,GDB ChEMBL
388452,O=C1CC2CCC3CCCN1C32,0,GDB ChEMBL
244324,N#CCn1ccc2c(F)ccc(F)c21,1,GDB ChEMBL
219561,C#CC1(C#C)CC(C)C(C)=CCC[NH+](C)C1,0,GDB ChEMBL
90315,CCC1CC1C1(CO)CC1CCOC,0,GDB ChEMBL
361190,CCC(C)CC1(CC2CC2)CCC1,1,GDB ChEMBL
378567,CC1C2NCC(=O)OC1C2CO,0,GDB ChEMBL
266496,CC1(C(O)C(O)CC#N)C[NH2+]C1,0,GDB ChEMBL
333065,CC[NH2+]C1CC2CC1c1c(C)cn(C(C)C)c12,0,GDB ChEMBL
362611,O=CN(C(=O)C(=O)[O-])C(=O)C1(O)CC1,0,GDB ChEMBL
310263,CCC1C2CC3(C)CCC(OC)C3C12,0,GDB ChEMBL
62075,N=C(CNCCO)OCC(O)CO,1,GDB ChEMBL
144625,CCCC12CC(O)(CC1COCC)C(O)C2=O,0,GDB ChEMBL
80506,CC[NH2+]C(CC)C(O)CN1CC1,0,GDB ChEMBL
103418,CN(C)C12C(=O)NCC1C2O,0,GDB ChEMBL
129417,CCC([NH2+]C)C(O)C(C[NH3+])CO,0,GDB ChEMBL
389055,CCC1CCCCC(C)(C)CC1C,0,GDB ChEMBL
142549,Cc1ccn(C2(C)CC2)n1,1,GDB ChEMBL
61872,NC(=[NH2+])C(C[NH2+]CC(=O)[O-])c1cn[nH]c1,0,GDB ChEMBL
274380,NC(=O)CCNS(=O)(=O)C1CC1(O)C[NH3+],1,GDB ChEMBL
2989,CC1C(O)CNS(=O)(=O)C1(N)CCC(=O)[O-],0,GDB ChEMBL
17476,CN(CCCOC(=O)C(N)=O)CS(N)(=O)=O,1,GDB ChEMBL
321816,CC([NH3+])C1(C)CC1(N)C(=O)NC(=N)N,0,GDB ChEMBL
310799,C[NH2+]C(CN)C1C(O)C1NC(N)=O,0,GDB ChEMBL
267873,CCc1cc(F)c(F)c2c1C(C(C)(C)C)CC2,1,GDB ChEMBL
227748,c1coc(N2CC3CC2C[NH2+]3)n1,0,GDB ChEMBL
274013,CN=C(NS(C)(=O)=O)OC(C)C[NH3+],0,GDB ChEMBL
81422,CC1=CCCC(CO)=CC1C,1,GDB ChEMBL
397084,C[NH+]=C(N)NC1CC1C(O)C(=O)[O-],0,GDB ChEMBL
385468,CC1(C)CCN(C(C)(C)CC#N)C1C[NH3+],0,GDB ChEMBL
28313,CCC1C[NH2+]C2(C)CC2(C)C(C)NC(=O)C1,0,GDB ChEMBL
386556,CC1CC2(C#N)C3CCC[NH+]1C32,0,GDB ChEMBL
287043,COc1nc(=N)[nH]c(=O)sc(C)ccc1N,0,GDB ChEMBL
59613,CC=CC(CC)C1[NH2+]CC1CCC,0,GDB ChEMBL
354794,CCCC1(C(C)CC)CCC(C)CC1C,0,GDB ChEMBL
256125,NC(=[NH2+])C(CS(N)(=O)=O)C(=O)CNC=O,0,GDB ChEMBL
386643,NC(=[NH2+])C12OC1CNC(=O)C2CC[NH3+],0,GDB ChEMBL
280292,CC1CC(C#N)C2(C)NS(=O)(=O)CC12C(N)=O,0,GDB ChEMBL
383005,CC1=CN2C(=O)NC(C(=O)[O-])C2=NCC1,0,GDB ChEMBL
310257,CC1C(=O)OC(OC(N)=O)C1CO,0,GDB ChEMBL
127620,CC[NH+](CC)CC(C)(CC#N)NC1CCOC1,0,GDB ChEMBL
321848,COC(C)C(C)C1CC(C)C2[NH2+]CC12,0,GDB ChEMBL
363015,CCC([NH3+])C(C1CO1)N(C)C,0,GDB ChEMBL
398866,N#CC1CCCC(O)C(OC(=[NH2+])NCC=O)C1,0,GDB ChEMBL
291483,Cc1nc(O)scnc(C(N)=O)nc1N,0,GDB ChEMBL
148896,CCN(C)C1(C)C[NH2+]CC(CC=O)CCC1O,0,GDB ChEMBL
28272,O=C([O-])c1n[nH]c2c1C1CC2C1,0,GDB ChEMBL
262590,CNc1nc(CC(=O)[O-])c(N)nc1N,0,GDB ChEMBL
206993,C[NH2+]C(C)CC1C(C)C(CC#N)C[NH+]1C,0,GDB ChEMBL
283444,CC(=O)NC(CO)CC([NH+]=CN)C1CO1,0,GDB ChEMBL
162892,C#CCC(C)(CO)C1CC(O)C=CC1C,0,GDB ChEMBL
255326,CNc1ccc(CNCC(N)=O)nc(=O)c1,0,GDB ChEMBL
187213,CS(=O)(=O)C=CNC(C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
345382,[NH3+]C1CC([NH3+])C2C1C21CCCC(O)C1,0,GDB ChEMBL
186738,CCC1(O)C(O)C1OCC(C[NH3+])C(N)=O,0,GDB ChEMBL
276159,COC1CC(=O)N(C2(C)CC(=O)C=C2C)C1,0,GDB ChEMBL
144574,CC(C)CC1CC2(C)C(C)C2CC[NH2+]1,0,GDB ChEMBL
243338,NC(=O)C1(O)C2OCC(NCC[NH3+])C1OC2=O,0,GDB ChEMBL
271470,C#CC1(C)C(=O)C2CC(C)(COC)C1C2O,0,GDB ChEMBL
24746,C[NH2+]C(CN)CNC(N)=O,0,GDB ChEMBL
205761,CC1(C(=O)[O-])OCC12CC2,0,GDB ChEMBL
225817,O=CNc1cc(C(=O)[O-])ccnc[nH]c1O,0,GDB ChEMBL
391340,NC(=O)c1cc(=O)occ1N,1,GDB ChEMBL
289988,C#CC(=CC(C)C)CC#CCCC,1,GDB ChEMBL
112437,C[NH2+]C1CC2CC1CC(OC)O2,0,GDB ChEMBL
207969,CC1CC(C)(C(C)CO)C(=O)N1,0,GDB ChEMBL
356876,C#CCCC1(C)C(C)CCCCC1(C)C(C)C,0,GDB ChEMBL
233892,CCN(CC[NH3+])Cc1ccn(CC)n1,0,GDB ChEMBL
149961,CCCC(C)C[NH+]1C2CCCC1C2,0,GDB ChEMBL
311037,NC1=[NH+]CC2C(CC1)N2CC(=O)[O-],0,GDB ChEMBL
81613,N#CC1C(C(=O)[O-])C1(N)C(O)CCO,0,GDB ChEMBL
11403,C[NH2+]CC1(CN2CC(O)C2)CCC(C)C1,0,GDB ChEMBL
115934,CC(C)C1(O)C(C(=O)[O-])C1(C)C,0,GDB ChEMBL
288178,C[NH2+]CC(=O)N(C=O)CC(=O)[O-],1,GDB ChEMBL
124249,COC1OCC(N)C2CC(C)(C(N)=O)C1C[NH2+]2,0,GDB ChEMBL
172719,CC(OCC(O)c1ccn[nH]1)C(C[NH3+])C[NH3+],0,GDB ChEMBL
358477,CCCCC12COC(C(=O)N1)C21CO1,0,GDB ChEMBL
280901,CC1=CC([NH3+])C(CCC#N)C1,0,GDB ChEMBL
340496,CCC1([NH3+])CCC[NH+](C2CC2)C1,0,GDB ChEMBL
190315,COC1(C)CC[NH2+]C2CC(C1)N(C)C2,0,GDB ChEMBL
382980,CC(O)C1(CC#N)CCCC1,1,GDB ChEMBL
24052,C[NH2+]C1(C)C2C(C(=O)[O-])CC(O)CC21N,0,GDB ChEMBL
21853,C#CCCc1cc(CC)c2occc2c1C,1,GDB ChEMBL
37315,N#CC(CO)OC(CC[NH3+])S(N)(=O)=O,0,GDB ChEMBL
67851,C[NH2+]C(COc1cn[nH]n1)C(N)=O,1,GDB ChEMBL
294777,CCC1C=CCCC1[NH+](C)CC,0,GDB ChEMBL
198830,CCC1(CO)OC2CC2C1NC(N)=[NH2+],0,GDB ChEMBL
271032,CCCC1C(C)NC(=O)C12CC(C=O)C2,0,GDB ChEMBL
337788,CC1C(C=O)C(=O)CC2C(CO)C(=O)NC12,0,GDB ChEMBL
108704,COC(=O)CC(=O)C(O)C1CN1,0,GDB ChEMBL
66147,CNC(=O)OC(C(O)CO)C(N)C(N)=[NH2+],0,GDB ChEMBL
354857,CCCCC(CCC#N)OCC1=[NH+]CCN1,0,GDB ChEMBL
302271,CCOCCc1c(N)noc1C(C[NH3+])C(N)=O,0,GDB ChEMBL
113587,CC([NH3+])C(=O)NC(CO)C(O)C1CO1,0,GDB ChEMBL
163427,CC1C=C(CC([NH3+])C(=O)[O-])C2C(O)C12,0,GDB ChEMBL
335517,COC(C#N)C(O)C1CC(C)(CC#N)[NH2+]C1C,0,GDB ChEMBL
220133,CC(C[NH3+])C(O)CN1C(=O)COC1=O,0,GDB ChEMBL
398826,C=CC1N=C(N)C(C)(O)CNC1=O,0,GDB ChEMBL
48168,CC1=CN(C(C)(C)C#N)C(=O)CC1O,1,GDB ChEMBL
1958,CCC(C)C#CCOC1CCOC1,1,GDB ChEMBL
330390,CNC(C=O)c1cc(OC(C)(C)C(=O)[O-])no1,0,GDB ChEMBL
366494,C[NH+]1CCCCOC2CC21,0,GDB ChEMBL
355299,CC1[NH+](C)CCC(O)CC[NH2+]CC1(C)C,0,GDB ChEMBL
349522,CC(C)CC1CC=CCC12CC2,1,GDB ChEMBL
374876,CC([NH3+])C1CC(C)(O)C(O)C1O,0,GDB ChEMBL
366890,[NH3+]CC12CC(CC(=O)[O-])NS(=O)(=O)C1O2,0,GDB ChEMBL
19381,CC(Nc1n[nH]cc1C#N)C1(O)COC1,1,GDB ChEMBL
228333,C1=CC(C2(C3CC[NH2+]C3)CC2)CCC1,0,GDB ChEMBL
135430,C[NH2+]CC1CC([NH2+]CC(C)(O)C(C)C)CC1O,0,GDB ChEMBL
38543,C#CC[NH2+]CC(=N[O-])c1ncoc1C,0,GDB ChEMBL
273418,C=CC(C[NH2+]C)N1CC=CCCC1,0,GDB ChEMBL
124818,CCC[NH2+]C1CCC12CC=CCCC2,0,GDB ChEMBL
242638,Cc1cccc(N2CC(C)(CC(C)C)C2)c1,1,GDB ChEMBL
363131,CCCOC1C(O)C[NH+](C)C1CC[NH3+],0,GDB ChEMBL
71450,C#CC1Nc2c(O)ncc(Cl)c2C1C[NH2+]C,0,GDB ChEMBL
250521,C[NH2+]CC1C(O)C2NC(=O)C1C2O,0,GDB ChEMBL
146021,CCN(C=O)c1cncnc1O,1,GDB ChEMBL
182541,CCC1CC([NH2+]C)C2(CC1CC)OC2CO,0,GDB ChEMBL
6509,N#CCNC(=O)c1cscnc1=N,0,GDB ChEMBL
274074,C=CC1(C)CC(C#N)C1CCCC,1,GDB ChEMBL
103942,CC12CC1c1c(F)ccc3c1C(CC3)C2[NH3+],0,GDB ChEMBL
30370,Clc1ccc2c(c1)C1C=CC2C2C=CCC12,0,GDB ChEMBL
76440,CCC1C=CC(=O)C(C)OC1,0,GDB ChEMBL
212540,Cc1nccc(C=CC=CC#N)n1,1,GDB ChEMBL
25201,OCC1(CO)CC1C1=CC[NH+]2CCC1CC2,0,GDB ChEMBL
3771,CC12CCC(O)C1N2CC#N,0,GDB ChEMBL
5857,CC1CC2C(C1)C2C([NH3+])CCC(C)(C)[NH3+],0,GDB ChEMBL
161031,COCC1OC2C(C)CC(C)(CO)C12,0,GDB ChEMBL
130180,Cc1ccc(F)c2c1C1CC1C2C,1,GDB ChEMBL
295925,CC1CC2(CC(=O)O1)C(CO)N2C(C)(C)C,0,GDB ChEMBL
398829,CNC(=O)OC1(CO)CC1O,0,GDB ChEMBL
49123,C[NH2+]CC1C(=O)CN(C=[NH2+])C1COC,0,GDB ChEMBL
263966,CC1CC(C(F)(F)F)C2(C)C[NH+]1C2,0,GDB ChEMBL
126898,C#CC1C(C)C=C(C)C1(CC)CCCC,0,GDB ChEMBL
186060,N#CCNC1=[NH+]CC(CCCS(=O)(=O)[O-])N1,0,GDB ChEMBL
87707,CC1C2CC([NH+]=C(N)N2)C1O,0,GDB ChEMBL
223321,CCC1C2CCCCC(C)(C[NH3+])C12,0,GDB ChEMBL
336025,CC1CCC2C3CC[NH+]2CC1C3,0,GDB ChEMBL
119960,CCC(=O)C1C(c2ncc[nH]2)N1C,0,GDB ChEMBL
313349,CC1OC1C(O)C1CC[NH2+]C1,0,GDB ChEMBL
372650,C1CC([NH+]2CC3CC2C2(CCOC2)CO3)C1,0,GDB ChEMBL
9700,CCCC12CCC(C)C(=O)N1C2C(N)=[NH2+],0,GDB ChEMBL
76044,N#CC(O)C1=NC(Cc2c[nH]cn2)C(=O)CN1,0,GDB ChEMBL
234866,COc1ncc(O)c(NCC(N)=[NH2+])n1,0,GDB ChEMBL
225192,CCC(C)C1CC(C)[NH2+]CC(C)CO1,0,GDB ChEMBL
219524,C=CCCCCC1(C)CC2CC1C2,0,GDB ChEMBL
346557,CNc1nc(NC(C)C)ccc[nH]c(C)n1,0,GDB ChEMBL
107016,COC(=O)N1C(C)C2CCC2(C)C1C=O,0,GDB ChEMBL
277434,CC1(C)CC#CC(CCC[NH3+])CCCO1,0,GDB ChEMBL
354573,CC(C)C1C2CNC(C[NH3+])C1(O)CO2,0,GDB ChEMBL
391629,Nc1ncncc([N+](=O)[O-])scc1[O-],0,GDB ChEMBL
305228,C[NH2+]C(C)C1COC(C[NH3+])C1,0,GDB ChEMBL
249451,CCC([NH3+])C(=O)NC(C)C(C)(O)CC#N,0,GDB ChEMBL
143770,CCCC1(C)CCCC([NH3+])CCC1,0,GDB ChEMBL
252840,CCCCC(C(C)C)C(C)c1occc1CC,0,GDB ChEMBL
159897,[NH3+]CC1CCC23CCCC2CC=C3C1,0,GDB ChEMBL
37284,N=C1NCCC([NH3+])C(C[NH2+]CCO)C(=O)N1,0,GDB ChEMBL
23948,CC1Cc2scnc2C2CC2[NH2+]1,0,GDB ChEMBL
341143,CCC(C)(C1CC(C)OC1C)C(F)(F)F,0,GDB ChEMBL
386227,CC(C)CC1C=CC2CCCC(C)(C2)C1,0,GDB ChEMBL
70986,CC1(O)CC2CC(O)CCC2CNC1=[NH2+],0,GDB ChEMBL
150516,CC1CC2C=CC1C21CCC=CCC1,0,GDB ChEMBL
86754,CC1(O)CC2CC(=O)OC1C2NC(N)=[NH2+],0,GDB ChEMBL
68631,CC(O)C1CC[NH+](C)C(C)CC1(C)O,0,GDB ChEMBL
222891,CC(=O)OCC1([NH3+])COCCOCC1(C)C,0,GDB ChEMBL
249831,CCOC1CCC2[NH2+]CCC21C,0,GDB ChEMBL
352699,C[NH+]=CNC(CCO)CN(C)C(N)=O,0,GDB ChEMBL
183499,NC1=[NH+]C2C(C([NH3+])C(=O)[O-])C2(O)CN1,0,GDB ChEMBL
169390,C=CC([NH3+])C(CC[NH3+])C(C)C(C)[NH3+],0,GDB ChEMBL
328939,[NH3+]C1C=C(C(=O)[O-])CCOC12CC2,0,GDB ChEMBL
294201,CC#CC(CCO)N(C)CC(=NO)C1CN1,0,GDB ChEMBL
94706,CC1OCCC1C1(O)C(C)C=CC1C,0,GDB ChEMBL
200561,NS(=O)(=O)OCC1CC(C(=O)[O-])C1O,0,GDB ChEMBL
151822,CC1CC=CC[NH+]2CC(C)(CC(=O)[O-])CC12,0,GDB ChEMBL
87020,CCC1CC2OC1C(C(C)C)[NH2+]C2C(C)OC,0,GDB ChEMBL
342336,CC[NH2+]C(C)C(C)(C)CCC(F)(F)F,0,GDB ChEMBL
64049,COCC([NH3+])C(=N)OC(C)=O,1,GDB ChEMBL
230415,C[NH2+]C(CC(C)(C)[NH3+])C(C)(C)OC(C)CC#N,0,GDB ChEMBL
271348,CCC(CC1(C)C(C)CC(CC)C1CC)OC,0,GDB ChEMBL
1443,CC12C=CC([NH2+]CCC1)C2O,0,GDB ChEMBL
249832,NC(=[NH2+])C(N)COC(=O)C(N)CO,0,GDB ChEMBL
124552,CNC(=O)OC(=N)CN(C)C(N)=O,1,GDB ChEMBL
229435,C[NH2+]CC(C)(C)NC(=O)c1nscc1C=O,0,GDB ChEMBL
37142,OCC[NH2+]CCNCc1cc(O)nnn1,0,GDB ChEMBL
121994,CC1CC2CCCC1C2C1(C)CCCCCC1,0,GDB ChEMBL
109561,CCC1[NH2+]C2C(O)CCCCC=CC12,0,GDB ChEMBL
272555,C#CC(C#C)[NH+](C)C(C)c1ccc(I)c(C)c1,0,GDB ChEMBL
199069,CNC1C2[NH2+]C(C)(CC2C)C1CO,0,GDB ChEMBL
160799,CC12CCC(=O)C(C1)NCC(C#N)C(O)CO2,0,GDB ChEMBL
240459,CCCC(NCc1cc(N)cs1)=[NH+]CC,0,GDB ChEMBL
361619,O=C1CCC(CC(O)C(=O)[O-])O1,1,GDB ChEMBL
194707,CC[NH+]1C2CC2C(C)(O)C1C,0,GDB ChEMBL
122881,CCCC1NC(C(F)(F)F)C1CC,0,GDB ChEMBL
316289,CC1CC2(O)CC(O)C2C[NH+]1C,0,GDB ChEMBL
147242,CC1CC(C[NH3+])C2C=C(CO)CC1(C)O2,0,GDB ChEMBL
251845,CC(C(=O)OCC(N)=[NH2+])n1ccnn1,1,GDB ChEMBL
75033,CS(=O)(=O)[N-]C(=O)Nc1c[nH]nc1C[NH3+],0,GDB ChEMBL
280655,C[NH2+]CC(=O)Cc1c(O)ccn1C,0,GDB ChEMBL
114771,C[NH2+]C1(C)CNC(=N)N(C(N)=O)C(=O)C1,0,GDB ChEMBL
227547,C=CC1C2CCC(CC[NH2+]C2)C1C,0,GDB ChEMBL
114400,CCOCC(C)(O)C1C(O)C[NH+](C)C1C(C)N,0,GDB ChEMBL
124200,C[NH2+]C(C1CC1)C1(CO)CC1,0,GDB ChEMBL
227612,C#Cc1ccc(C)c(Cl)c1CCC(C#C)C#C,0,GDB ChEMBL
140371,CCN(C(=O)NC(=N)NC)S(=O)(=O)CC,1,GDB ChEMBL
67402,CC1=CCC2NC(=O)CC(C(C)O)C12,0,GDB ChEMBL
181356,C=CC(CC)(C(=O)[O-])C1(CO)CO1,0,GDB ChEMBL
212547,C#CCCC(C)(C)C1CCC(C)C1,1,GDB ChEMBL
136155,CCC1(C)CC(C)CCCC(O)(CO)C1,0,GDB ChEMBL
240371,CC1CCC2CCC(CC(C#N)N(C=O)C1)O2,0,GDB ChEMBL
110262,OC1CC2CCCC=CCCC3C1C23,0,GDB ChEMBL
368407,CCCCC1=CC(C#N)N(C)C1,1,GDB ChEMBL
375858,Nc1csc(C2CCOCC2)c1,1,GDB ChEMBL
27779,C#CC1=CC(O)CCCCC2CC2C1CC,0,GDB ChEMBL
100675,CCC12CC(C1)C(=O)N(C)CC(=N)O2,1,GDB ChEMBL
337188,COCCC1CC12C[NH2+]C2C,0,GDB ChEMBL
104959,Cc1c(C=O)cc(C2(CO)CC2)c(F)c1F,1,GDB ChEMBL
306376,C[NH2+]C1C(=O)N2CC(C)CC12,0,GDB ChEMBL
61557,CCCC1[NH2+]CC2C(C)CC(OC(N)=O)C12,0,GDB ChEMBL
286275,CNC(=O)c1cnc(=N)cc(C[NH3+])n1,0,GDB ChEMBL
302655,CNc1cc(C2(C)CN2)ncn1,0,GDB ChEMBL
203447,C#CCC(O)Cc1ccn(C)c1C(C)[NH2+]CC,0,GDB ChEMBL
130817,CC1=CC(=O)CC1(O)CO,1,GDB ChEMBL
11752,Cc1cc(=NC(CO)CC(=O)[O-])snn1,0,GDB ChEMBL
361671,CC(O)Cc1nc[nH]c1C#N,1,GDB ChEMBL
77496,C#CCCC(=NO)C(=O)[O-],1,GDB ChEMBL
319797,CS(=O)(=O)NC1C2OCC3CC(=O)C1C32O,0,GDB ChEMBL
182271,CCCNc1[nH]c(C)c[nH+]1,0,GDB ChEMBL
113532,C#CC1(CC(F)(F)F)N(C)CCC([NH3+])C1(C)C,0,GDB ChEMBL
95934,CCNC(CC=O)(C(N)=O)C(=O)[O-],0,GDB ChEMBL
4775,CC(=O)N(C=O)C(=N)OCC1CC(C)([NH3+])C[NH2+]1,0,GDB ChEMBL
359076,CNC1(C#N)CC(O)COC1C([NH3+])CO,0,GDB ChEMBL
107643,CC1CC2CCCC(O)C2CC(=O)C(C)[NH2+]1,0,GDB ChEMBL
348702,CCCc1cc(C)cc(Br)c1C(C)C(C)(C)C,1,GDB ChEMBL
22622,CC1OC(=O)NC1C(O)CCNC1C[NH2+]C1,0,GDB ChEMBL
194226,CC1CCN2CC2C(O)C1C,1,GDB ChEMBL
358311,CCC(C)CC1C2CCCC1C(C)C(C)C2C,0,GDB ChEMBL
61531,C[NH2+]CC1=C(C(C)C)C(=O)CN(C(N)=[NH2+])C1,0,GDB ChEMBL
35999,CC1=CC(C)(C)CC(CO)=CCC(C)CC1,0,GDB ChEMBL
376963,C=CCC(O)CC(O)CNC(N)=[NH2+],0,GDB ChEMBL
285122,C[NH2+]Cc1nc(N(C=N)C=N)c(C)cc1F,0,GDB ChEMBL
23567,C[NH2+]C1C(O)C1(N(C)C)C(C)(C)C(N)=O,0,GDB ChEMBL
320803,CCC1CCCC(C)C2CC2C1OC,1,GDB ChEMBL
28162,CNc1nc(OC)cc(=O)o1,0,GDB ChEMBL
271365,CC1C2COC(=O)C1C(C)(C)C2,1,GDB ChEMBL
372084,CCCC=CC(C)CCCC(C)C,1,GDB ChEMBL
33338,N=C1NC(CO)C2OC2C1(O)CC(=O)[O-],0,GDB ChEMBL
309838,CCN1C(=O)C2CC([NH3+])C(NC=O)CC1CN2,0,GDB ChEMBL
24720,Fc1cncc2c1C1CC1O2,0,GDB ChEMBL
156072,CCCOC(=O)N1C=NC(C)(C)C(OC)CC1,0,GDB ChEMBL
266225,CCOC(=O)C(CO)(CC(N)=O)N(C)C(C)=[NH2+],0,GDB ChEMBL
302580,CC(C)(C#N)C([NH3+])CCCCC(O)CO,0,GDB ChEMBL
89085,COC(C(=O)[O-])C(OC)C(O)C(N)=O,0,GDB ChEMBL
175512,CC(O)C1NC2C(O)C[NH2+]CCNS(=O)(=O)C12,0,GDB ChEMBL
77068,CCc1cc(CC(C)(C)C(C)C)ccc1C,1,GDB ChEMBL
306407,CC(C=O)CC1C=CCCCC1,1,GDB ChEMBL
169353,CC1C(=O)OC(CO)C2C[NH2+]C(C=O)C=C12,0,GDB ChEMBL
236710,CC(=O)N(C)CCC12C[NH+](CCC(C)O1)C2,0,GDB ChEMBL
304892,C#CC1CC2=CCCCCC2C(C)(C)C1,0,GDB ChEMBL
375467,[NH3+]C(CO)C1OC2CC2C1([NH3+])C(=O)[O-],0,GDB ChEMBL
100669,NC1C[NH2+]CC2COC(C[NH3+])C(=O)OC1C2O,0,GDB ChEMBL
299730,CCCc1cc(C)c(C2=CCCC2)cc1C,1,GDB ChEMBL
261317,CCC([NH3+])CNCCN=CNC(N)=O,0,GDB ChEMBL
287366,CCC12CC[NH2+]C(C1)C(CC1CC1)C2,0,GDB ChEMBL
218837,CC(CC(=O)[O-])n1nc(N)nc1C(N)=O,1,GDB ChEMBL
26927,C[NH2+]C1C2CN(C)C1C1OCCCCC2O1,0,GDB ChEMBL
193816,CN1CC[NH+]=C(NC(CN)C(N)=O)C1,0,GDB ChEMBL
221930,CN1CC(O)(C#N)COCC(=O)N(C)C1=N,1,GDB ChEMBL
62011,CC12CC(O)(CO)C(O)C1CCO2,0,GDB ChEMBL
115620,Nc1c(CCCC[NH3+])[nH]c(=[NH2+])n1CCCCO,0,GDB ChEMBL
288611,CC(O)CCCN(CCO)C(CC#N)C(C)[NH3+],0,GDB ChEMBL
207311,C#CC(C#C)(C=CC)[NH+](C)CCC,0,GDB ChEMBL
37140,CCC1CC=CC(C)CC1C(C)(C)CC,0,GDB ChEMBL
112858,CN1CC1c1nccc(Br)c1C(C)(C)C#N,0,GDB ChEMBL
282006,CN(C1C2OC(=O)C(O)C([NH3+])C21)S(C)(=O)=O,0,GDB ChEMBL
394929,NC1C(=O)NC2C(C(=O)[O-])C2C1([NH3+])CO,0,GDB ChEMBL
396069,C[NH2+]C1C=CCC2C1C2C(C)OC,0,GDB ChEMBL
11268,COC1C(O)CC2C=C(C)CC1(C)C[NH2+]2,0,GDB ChEMBL
13869,C[NH+]1CCC2C([NH3+])C2(N)C1,0,GDB ChEMBL
303930,C#Cc1cn(C(CC)C[NH+](C)C)c(=O)cc1C,0,GDB ChEMBL
244503,CC[NH2+]CC1C(=O)C2C(C1=O)N2CC,0,GDB ChEMBL
119831,CCC=CC(C)CC1=CC(=O)CC1,1,GDB ChEMBL
207307,CCC1=CC(O)CC2C1C[NH+]1CCC2C1C,0,GDB ChEMBL
285766,CC(O)C1CN=C(C(C)([NH3+])COCC(=O)[O-])O1,0,GDB ChEMBL
348471,CCCCC1[NH+]2CCC(C)(C2)C1(C)C,0,GDB ChEMBL
205918,C[NH+](C)CCCc1cccs1,1,GDB ChEMBL
302466,CC1CC2C(O)CCN3C(N)=[NH+]CC(C1=O)C23,0,GDB ChEMBL
120528,C#CC(C)C(CCCC)(C(C)CC)C(F)(F)F,0,GDB ChEMBL
278251,CC1CN1CC1NC(=N)NC(=O)C1C(N)=O,0,GDB ChEMBL
278134,CC(=N)N(C=O)C(C)(CC#N)CC(N)=O,1,GDB ChEMBL
33156,COC(=O)CCOCCC(C)C(O)CO,1,GDB ChEMBL
207942,C#CC[NH2+]CCc1cc(CC#C)c(C)cc1F,0,GDB ChEMBL
218354,C[NH2+]C1CN=C(N)C1(O)CS(N)(=O)=O,0,GDB ChEMBL
292548,c1cc2c(cn1)C[NH+]1CC2C1,0,GDB ChEMBL
243379,C[NH2+]C1CC2(COC)CCC1N2C=O,0,GDB ChEMBL
304468,CCC1CCCC2CCC1O2,1,GDB ChEMBL
98843,NC12CC=CC(O)CC(OC1=O)C2C[NH3+],0,GDB ChEMBL
361003,N#CC12NC(N)=[NH+]C(C1O)C2C(=O)[O-],0,GDB ChEMBL
177238,C#CC(C)(C(=O)[O-])c1oc(=O)cc([O-])c1C,0,GDB ChEMBL
151117,N=C(N)N1CC(=O)[CH-]C(=O)C1=O,0,GDB ChEMBL
321838,Nc1cnc2c(c1)cc1n2CCC(C[NH3+])N1,0,GDB ChEMBL
95586,CC1C=CC(O)C1C[NH3+],0,GDB ChEMBL
202476,CCCC(=CC(F)(F)F)CC(C)C,1,GDB ChEMBL
77547,CCC1CC([NH2+]C)C2C[NH2+]C1C2O,0,GDB ChEMBL
188096,CC1C[NH2+]C(C2=CNC(=O)C2)C1O,0,GDB ChEMBL
346869,CC1[NH2+]C(CO)C(O)C(O)C1C,0,GDB ChEMBL
207678,[NH3+]CCN1CC(O)C2CC2C1,0,GDB ChEMBL
18378,COC1CCOC2C(C)C=CC1NC2C[NH3+],0,GDB ChEMBL
118425,C#CC(C)(OC)C(C)=O,1,GDB ChEMBL
155051,CC#Cc1cc(CC)c(Cl)cc1CC,1,GDB ChEMBL
9785,CNc1c(O)cc2c(c1Cl)COC(C)C2,1,GDB ChEMBL
267926,CC1OCCC1[NH2+]CCN,1,GDB ChEMBL
136706,CC(=O)CC(C)C1=CC(C)C(C)CCC1,0,GDB ChEMBL
323170,NC1=NC(CCCC(=O)[O-])S(=O)(=O)N1,0,GDB ChEMBL
41078,C#Cc1cc2cnc3[nH]c4cccnc4c1c23,0,GDB ChEMBL
283967,C[NH2+]C1(CO)C2CC(=O)C1C(C)O2,0,GDB ChEMBL
230703,O=C1CCCCOCCN2CC(N1)S(=O)(=O)C2,0,GDB ChEMBL
324302,C=C(C)C1CC([NH3+])C=CC1COC,0,GDB ChEMBL
397053,CC1CC(O)CC2C=CC(C)C(C1)C2C,0,GDB ChEMBL
51856,CC1(O)CCCC(=O)CC(N)=[NH+]C1,0,GDB ChEMBL
71966,CCCCC12C=CCCC1O2,1,GDB ChEMBL
70794,CCC1CC(C)(COC)CCc2sccc2O1,0,GDB ChEMBL
383766,CC(=O)NC1=NC2CC(C#N)(C2)N1C(N)=O,0,GDB ChEMBL
362963,CC(=O)NCC([NH3+])(CCO)C(O)C(=O)[O-],0,GDB ChEMBL
234369,CCC(C)C[NH2+]C1CCC2CC21,0,GDB ChEMBL
64065,CC1(C)CCCC[NH+]=C(N)C1CC#N,0,GDB ChEMBL
156205,CN1CC(CO)CC(c2cnc(N)c(Br)n2)C1,0,GDB ChEMBL
120348,CCC1CC([NH3+])C(CO)C(C#N)(C#N)C1,0,GDB ChEMBL
379861,CCC1CC2CC=CC1C1(CCOC1)C2=O,0,GDB ChEMBL
33148,CC#CC(C)CCC(CCC)CCC,1,GDB ChEMBL
270103,C#CC(CCO)C(=O)CC#CC,1,GDB ChEMBL
234904,CC1([NH3+])C2NC(=O)C(C([NH3+])C(=O)[O-])NC21,0,GDB ChEMBL
62546,COC(=O)CNc1noccc1=O,1,GDB ChEMBL
244599,CCc1ccnc2c1nc(Cl)c1cc(C)[nH]c12,1,GDB ChEMBL
112511,CC1=CCCCCC1(C)CC#N,0,GDB ChEMBL
5343,COC1C(C)NC(=O)C(C(N)=[NH2+])C1O,0,GDB ChEMBL
221666,CCC1CCOC1C([NH3+])C1CC1C,0,GDB ChEMBL
34456,C#CC1C(C)CCCC1C(C)CC(C)(C)C,0,GDB ChEMBL
275544,CC(=O)NC(=O)Nc1conc1[O-],0,GDB ChEMBL
21832,C#CC(C)(CC1CC(C)NS(=O)(=O)C1)OC,0,GDB ChEMBL
273963,Cc1cc(C)c(CCC2CCC2)c(F)c1,1,GDB ChEMBL
393551,CC(C)c1cn[nH]c(=NC2C[NH2+]C2)c1,0,GDB ChEMBL
208303,CCC1NC(=O)CC2CC(=O)CC21C#N,0,GDB ChEMBL
43911,NC(=O)Nc1nc(=O)[nH]c2ncncc12,1,GDB ChEMBL
300424,NC(=O)c1nnoc1CNCCO,1,GDB ChEMBL
394236,Cc1cc2c3c(ccc[nH]1)CCC(O)C3CN2,0,GDB ChEMBL
238554,CC1CN(CC(N)=O)C(C)C(N)C(=O)O1,1,GDB ChEMBL
274136,C[NH2+]CCc1c(C(N)=O)cnc(I)c1N,0,GDB ChEMBL
136014,N#CC1C(N)C1C(O)CCO,0,GDB ChEMBL
125554,CC(C)Cc1ccc(F)cc1C(C)C,1,GDB ChEMBL
156137,CC(=O)NCc1sc[nH+]c(N)cc(=N)[nH]c1O,0,GDB ChEMBL
291464,CC1CC1C(C)OC(=O)C(CO)N(C)C,1,GDB ChEMBL
157389,NC1=NC(C2CO2)C(=O)N1,0,GDB ChEMBL
90335,COCC(N)C([NH3+])CCNC=[NH2+],0,GDB ChEMBL
17445,CC1CC2(C(O)CO)COC(C)C2C1C,0,GDB ChEMBL
9863,CCCC(O)CNC(=O)COc1occc1O,1,GDB ChEMBL
374218,Cc1ccc2c(c1)N1C(C)CC=CC2C1C,1,GDB ChEMBL
47552,OC1C(CC2CC[NH2+]C2)C1C(F)(F)F,0,GDB ChEMBL
275508,CCC1=CCC2C[NH+](C1)CC1CCC(=O)N21,0,GDB ChEMBL
151829,CC(C)NC(=O)NC(=[NH2+])NCCC#N,0,GDB ChEMBL
216500,O=C(CO)NCCOC(=O)C(=O)[O-],0,GDB ChEMBL
387201,CCOC1=N[C-](C#N)C(O)C1=O,0,GDB ChEMBL
61989,CC1NC(=O)C(NCC=O)C1C,1,GDB ChEMBL
247481,CC(C)C([NH3+])c1ncccc1NC=O,0,GDB ChEMBL
28225,C#CC1CC=C2C(CC)CC(C)CC21C,0,GDB ChEMBL
274361,CC(C[NH+]=CNC1(C#N)CC1N)C(=O)[O-],0,GDB ChEMBL
124558,CC1CC(C#N)(C(C)[NH3+])CN(C)C1C,0,GDB ChEMBL
156178,CC#CC(C)CC(COC)C(C)C,0,GDB ChEMBL
3970,CNS(=O)(=O)C(CO)CC(=[NH2+])NCCN,0,GDB ChEMBL
161406,CC(N)C(=O)OC1CC1CC#N,1,GDB ChEMBL
387322,NC(N)=[NH+]CCC(O)C#CC[NH3+],0,GDB ChEMBL
358560,CCC1C2CC(CC1(C)C)C(C)CCCC2C,0,GDB ChEMBL
317191,C[NH2+]CC1(CCO)NC=[NH+]C1CC(N)CC#N,0,GDB ChEMBL
309137,CC1(O)CC([NH3+])C2OCC1NC2=O,0,GDB ChEMBL
355165,CNC(N)=[NH+]C(CO)CCN(C)C(N)=O,0,GDB ChEMBL
288176,C#CCC1CC2CC(C#C)CC(O)C[NH+]2C1C,0,GDB ChEMBL
97716,[NH3+]C1C(O)C2OCCC1C2([NH3+])C(=O)[O-],0,GDB ChEMBL
193292,CC([NH3+])CNC(=O)OCC(O)C1CO1,0,GDB ChEMBL
221385,CCc1nc(Cl)c(Cl)nc1N1CC=CC1,1,GDB ChEMBL
252534,[NH2+]=C1NC2CC(CC(=O)[O-])(C2)O1,0,GDB ChEMBL
318400,CC(CC[NH3+])C1CC1CC1C[NH2+]CC(O)C1,0,GDB ChEMBL
47798,Nc1ccc(C2CC2)cc1F,1,GDB ChEMBL
347939,CC1C([NH3+])CC2CCC1CO2,0,GDB ChEMBL
193232,CC1N2C(=O)N(C(=N)N)C(=O)C12CC[NH3+],0,GDB ChEMBL
247609,CCC1C2C(CCO)OCCN12,0,GDB ChEMBL
379355,N=C(N)N1C(=O)NC(CO)CN=C1N,0,GDB ChEMBL
216205,[NH3+]C1CC1CC1CC1N(C=O)CCO,0,GDB ChEMBL
289271,CC1NC2CC(O)C(O)C2C1=O,0,GDB ChEMBL
253618,COC1C2CC(CO)CCC(O)(C[NH3+])C1C[NH2+]2,0,GDB ChEMBL
307980,CC1COCC2(O)CC(=O)NC1C1CC12,0,GDB ChEMBL
382511,CNC1C([NH3+])C(O)(C(=O)[O-])C1C#N,0,GDB ChEMBL
120835,O=C([O-])C1C2C(O)C2C2CC[NH+]21,1,GDB ChEMBL
234518,C#CCCN(CC1CC(C)(O)C1)S(C)(=O)=O,1,GDB ChEMBL
22840,CC1CCCCC2C[NH+]=C(CC1)N2CC(N)=O,0,GDB ChEMBL
124337,CCC1CC(C(=O)[O-])C([NH3+])C1(C[NH3+])C1CO1,0,GDB ChEMBL
109194,Cc1cc(F)c(F)c2c1CCCC2(C)C(C)C,0,GDB ChEMBL
358093,C=C1C(=O)C(CCC(=O)[O-])C=C1C,0,GDB ChEMBL
26006,CC(=O)NC1(C2CC=CC2)C[NH2+]C1C,0,GDB ChEMBL
59688,C#Cc1ccc(I)cc1C1CC=CC1,0,GDB ChEMBL
240500,CC12CCCCCC=CCC1CC2,0,GDB ChEMBL
91185,CN=C1NC(C(O)C(N)=O)C(N)CO1,0,GDB ChEMBL
358161,NC(=O)C1CCC(=O)C1,1,GDB ChEMBL
203614,CCC(C=O)C(c1cc(C)cn1C)C(C)(C)O,0,GDB ChEMBL
47514,C=CCCN(CC=C)C(C)(C)C#N,1,GDB ChEMBL
61812,CCC(C)c1cccc(C)c1-c1ccccc1,1,GDB ChEMBL
119683,CCOC1(C#N)CCC1,1,GDB ChEMBL
391590,C=CCC(C(C)=CCCC)C1CC1,1,GDB ChEMBL
131615,COC1C(C(O)CO)C1(N)C(=O)NC(=N)N,0,GDB ChEMBL
20726,C#CC(C)CC(C)(C)CCCCS(=O)(=O)NC,0,GDB ChEMBL
208241,N#CCC(=O)COc1cccc(O)c1N,1,GDB ChEMBL
60661,[NH3+]CCOc1coc(CC(=O)[O-])n1,0,GDB ChEMBL
34328,C[NH2+]C1(CO)CN2C(=O)[C-](C#N)C(O)C21C,0,GDB ChEMBL
137090,Cc1ncc2c(c1C#N)CCC2,1,GDB ChEMBL
204137,CC#CC(C[NH2+]CC)C1CC1C,0,GDB ChEMBL
309818,C#CC[NH+]1CC(C#C)C(OCCC)C1,0,GDB ChEMBL
277824,CC#CC(C)(C)C(C[NH2+]C)C[NH2+]C1CC1,0,GDB ChEMBL
393573,CCCC1(C)C2CCCCCC(C)C21,0,GDB ChEMBL
281827,C=C1CC2(O)CC([NH3+])CC(O)C1C2,0,GDB ChEMBL
142529,C#CCN=CN(CC=C)C(=O)CO,1,GDB ChEMBL
369887,C=C(C)C(CC)C1CC(C)=CC1C,0,GDB ChEMBL
288470,CN(CCC(=O)[O-])CCN(C=[NH2+])C(N)=[NH2+],0,GDB ChEMBL
34330,O=C([O-])C1C[NH2+]C2C=CC1C2,0,GDB ChEMBL
265301,O=C([O-])C1C[NH2+]CCC2(O)CC2N1,0,GDB ChEMBL
374948,CC[NH2+]Cc1nc(N)c2n1CCO2,0,GDB ChEMBL
16014,CC1NC2COC(=O)C2C1[NH3+],0,GDB ChEMBL
117352,NC(=[NH2+])C1CNCC([NH3+])CCN(C=O)C1,0,GDB ChEMBL
398879,COC12CCC(C)(CC1)CC(=O)CC2=O,1,GDB ChEMBL
223318,N#CC(C#N)=CC(O)CCS(=O)(=O)[O-],0,GDB ChEMBL
100678,C#CC[NH+](CC)CCC(C(C)C)C(C)C,0,GDB ChEMBL
190456,CN1C(=O)NC(CO)C12C(=N)OC1C[NH2+]CC12,0,GDB ChEMBL
142394,CCC(C)C1CC2(C)C(CC)CCC1C2CC,0,GDB ChEMBL
94591,CCC12CCOC(O1)C(CNC(N)=[NH2+])C2,0,GDB ChEMBL
26615,N#CC1COC(c2ccccc2Br)OC1,1,GDB ChEMBL
288675,CCC1CC2OC(CC(=O)[O-])C1C2O,0,GDB ChEMBL
104384,NS(=O)(=O)OC1C(O)C2OC1C1CC2C[NH2+]1,0,GDB ChEMBL
300943,Nc1cc(Cl)nc(OCc2cocn2)c1,1,GDB ChEMBL
247186,CC(=O)CC1CCc2cccc(O)c2N1,1,GDB ChEMBL
92913,Cc1occc1C(CO)C1CC1,1,GDB ChEMBL
175737,CC1[NH2+]CC(CO)(OCCO)C(=O)CC1(C)C,0,GDB ChEMBL
120379,Cc1cc(CC(C)C(C)O)c(C)c(Cl)c1C[NH3+],1,GDB ChEMBL
346548,CCC(C[NH3+])C1C([NH3+])CC2C(=O)NC3C2C31,0,GDB ChEMBL
235210,CCc1cc(C2(CC=O)OCCO2)ccc1Cl,1,GDB ChEMBL
255996,NC(=[NH2+])OCC(CC[NH3+])n1ccnn1,0,GDB ChEMBL
156037,C#CC[NH+]1CC=CCOC2(CC(C)C2)C1,0,GDB ChEMBL
358109,C[NH2+]CC(O)CN1C2CCC1C1NC12,0,GDB ChEMBL
34892,CCC1CC1c1cc(N)c(C)c(Br)c1O,1,GDB ChEMBL
127649,CN1CC(O)C([NH3+])CC(C)(CC[NH3+])COC1=O,0,GDB ChEMBL
355437,CC[NH2+]C12CC1C(C)C(O)C2NC(C)=O,0,GDB ChEMBL
6033,COC(=O)CC1=CC(O)C2C1C(C)C1CN12,0,GDB ChEMBL
160020,N#CC12CNC(C1)C(=O)C(O)C(O)C2,0,GDB ChEMBL
9940,CCOCC(=O)n1ccc(C)n1,1,GDB ChEMBL
322004,CC1=C(C)CC(CC(C)C)C[NH2+]CC1,0,GDB ChEMBL
343927,CCNC(=O)CN(C)C(=N)S(N)(=O)=O,1,GDB ChEMBL
366520,CC(C)C1CN(CC[NH3+])C1,1,GDB ChEMBL
328821,C[NH2+]C(CO)CC1C2N1CC(=O)[N-]S2(=O)=O,0,GDB ChEMBL
64071,COCC(C)C1CC2CCC(C)C1C2,0,GDB ChEMBL
384254,CC#CC(C[NH+]1CCC(C)(C)C1)C(C)C,0,GDB ChEMBL
175857,CCC1(CC2C3CC(C)C2CC3C)CC[NH2+]C1,0,GDB ChEMBL
257415,CCC1CCCC([NH2+]C)(C(C)CO)C(C)CC1,0,GDB ChEMBL
64051,CC1CC2CC(C[NH2+]2)N1,0,GDB ChEMBL
39741,C#CC1C(CC(O)CC)C1(C)CC#N,0,GDB ChEMBL
287006,CC1C2N(C)CC3CC(CO)C12O3,0,GDB ChEMBL
223299,Cc1cc(Cl)c(Cl)c(C)c1CCCC=O,1,GDB ChEMBL
367765,C#CC(=O)N1CC[NH2+]C2CC21,0,GDB ChEMBL
321393,COC1CCC2(O)C(=O)N3CC3C12C,0,GDB ChEMBL
225071,OC12CCCCC1C[NH2+]C2,0,GDB ChEMBL
201041,CC([NH3+])C1OC(=O)C(C(N)C(N)=O)C1O,0,GDB ChEMBL
238579,COCC1(C)CC(C#N)NC(C)C(=N)O1,0,GDB ChEMBL
259365,COCc1ccsc(C[NH3+])cc(O)nc1,0,GDB ChEMBL
321379,C[NH2+]C1CC([NH3+])C(C(=O)[O-])NC(=O)N2CC12,0,GDB ChEMBL
156731,C#CCC1CCC[NH+](C)CC1(C)C,0,GDB ChEMBL
210209,CCCC[NH+]1CC(C=O)C1C,0,GDB ChEMBL
22538,COCC1CC(C)C(C)(C)COC(C)C1(C)C,0,GDB ChEMBL
140852,C=CCC1CC2C(C)C3[NH2+]CC2C13,0,GDB ChEMBL
78609,N#CCC1CC=CC=CC1,1,GDB ChEMBL
127884,CC(O)CC1CCNC=CS(=O)(=O)[N-]C1=O,0,GDB ChEMBL
88183,CC1=CC(C)CC(C)(C)C(C)C1,1,GDB ChEMBL
230377,OCC1CC(n2cnnn2)C(O)C(CO)O1,0,GDB ChEMBL
252705,C#CCC1CC(=[NH2+])NC(C(CC)CC#C)C1O,0,GDB ChEMBL
234869,CCCCC1CCCC23C=CCC2C13,0,GDB ChEMBL
339281,CCC(CC)C1(C)CCCC2(C)CCCC1C2,0,GDB ChEMBL
230380,O=C([O-])Cn1nccc([N+](=O)[O-])c1=O,1,GDB ChEMBL
290542,C#CC[NH2+]C1CC(C)(CCOC(C)C)C1,0,GDB ChEMBL
175747,C[NH+](C)CC1C2CCC1CC2,0,GDB ChEMBL
347928,C#CC1C(=O)N2CC(OC)C2C=C1C,0,GDB ChEMBL
44665,CCC1[NH2+]C2C(NC1C(N)=O)C2OC,0,GDB ChEMBL
71670,C[NH2+]C(C(O)C(N)=O)C(O)C(C)[NH3+],0,GDB ChEMBL
215324,COCC[NH2+]CC1(C[NH3+])CN1CCO,0,GDB ChEMBL
279961,CCC(C)OC1CCC[NH2+]C1CO,1,GDB ChEMBL
36015,CNc1ncnc([O-])c(=O)c1CC#N,0,GDB ChEMBL
233896,CCC1(C)C(O)C(OC)CC1C1C[NH2+]1,0,GDB ChEMBL
389619,CCC(CC(C)C)CC1C=C(C)C(C)C1,0,GDB ChEMBL
22861,CC[NH+]1CCC(C)(C)CC(CC(C)C(C)C)C1,0,GDB ChEMBL
292976,CC1=C2CC(C(C)CCO)C2(C)CC(=O)N1,0,GDB ChEMBL
190782,CC1CN(C=O)C(=O)OC2CC1(O)C(O)C2[NH3+],0,GDB ChEMBL
156235,CC([NH3+])CC(O)C#N,1,GDB ChEMBL
51386,CCC[NH2+]CCC1(C)CCC2(CC(C)C2)C1,0,GDB ChEMBL
320785,CC1C(C(N)=O)[NH2+]C1C(O)CO,0,GDB ChEMBL
132867,CCCCc1nccc2c1OC(C)(CO)C2C,0,GDB ChEMBL
290330,CCc1c[nH]c2sc(C[NH3+])c(OC)c12,0,GDB ChEMBL
244333,O=C1CCC2C(=O)CCC12,1,GDB ChEMBL
64635,CCCOC(C=O)(CC#N)C1CC1,1,GDB ChEMBL
363585,COC1CC2(C)C=C(C[NH2+]CCC2)C1[NH3+],0,GDB ChEMBL
127895,C#CC1C2=CC[NH+](C)CC2(C)N1C(=O)CC,0,GDB ChEMBL
298095,CC(C(N)=[NH2+])(C(N)=O)C1NC(C#N)C(O)C1O,0,GDB ChEMBL
281817,CCC1CC2(C#N)NC(C)C1CC2C,0,GDB ChEMBL
61943,CCC(=O)c1csc2c1C(C)C(C)[NH2+]CCN2,0,GDB ChEMBL
392270,Cn1cnccnc(C(N)=O)c(C=O)c1C=O,0,GDB ChEMBL
10986,CCC1(C(C)=O)C(n2cccn2)C1(C)O,0,GDB ChEMBL
167352,Cc1ncc2c(n1)C(C[NH3+])OC2,0,GDB ChEMBL
209840,NC(=[NH2+])C(O)CNC(=O)C=CC[NH3+],0,GDB ChEMBL
53273,N=C(N)N1C=Nc2c(N)cccc2CC1=O,1,GDB ChEMBL
284822,CC12CCC(C3C(C(=O)[O-])C31)C21CC1,0,GDB ChEMBL
372622,CC(=O)N(C)C1COCC(=N)NC1=NCC=O,0,GDB ChEMBL
354386,CC=CC(C#CCC)C[NH2+]C1CC1,0,GDB ChEMBL
261158,CC1C2CC3OC(C(=O)N2)C31,0,GDB ChEMBL
110218,CC[NH+]1CCC2CCC1C1NC21,0,GDB ChEMBL
148332,C#CCC1CCC2(CC2)C(CC)[NH+]1C,0,GDB ChEMBL
336034,C#Cc1ccc(CN2CCOCC23CC3)s1,1,GDB ChEMBL
215385,CN=C1NC2C(O1)C2(N)C(C(N)=O)C(=O)[O-],0,GDB ChEMBL
130864,CC#CCC1(C(C[NH3+])C[NH+](C)C)CC1,0,GDB ChEMBL
292240,CC(=N)N1C(=O)NC2CCOC(=[NH2+])NCC21,0,GDB ChEMBL
207707,CC[NH+]1CC(CCC(C)(C)[NH3+])C(C)(C)CC1C,0,GDB ChEMBL
170138,C[NH2+]CC1=NCCC(CO)C(C=O)N1,0,GDB ChEMBL
71468,CC1=CCC2C=CC(C)C2C(C)(C)CC1,0,GDB ChEMBL
67330,CNc1c(C(C)C2CCC2)[nH+]cn1CC#N,0,GDB ChEMBL
204569,CCC1CCC2(OC)C3N1CC([NH2+]C)C32C,0,GDB ChEMBL
255094,Oc1nc(CC[NH2+]CC2CC2)ccc1Cl,0,GDB ChEMBL
34744,C#CCNc1cc(Br)c(C(C)(C)C)c(C#C)c1,1,GDB ChEMBL
48101,CNCC(=O)OCC(O)C(C(N)=[NH2+])C(O)CO,0,GDB ChEMBL
17276,N=CN1C(=O)CC(OC(N)=O)C1C[NH3+],0,GDB ChEMBL
341352,[NH3+]CCC1C(O)C(CCO)NS1(=O)=O,0,GDB ChEMBL
61928,C[NH2+]CCc1cncc(N)ncn(C)c1,0,GDB ChEMBL
44688,CN(C(=O)C[NH3+])C1(C)CC2([NH3+])C(O)CCC21,0,GDB ChEMBL
293822,[NH3+]CCNC(=O)C1CC(C[NH3+])N1,0,GDB ChEMBL
28149,CCC(C)CC1CC(CC(C)C(C)CC)C1,1,GDB ChEMBL
253608,CCCC1(C)C[NH2+]C1CC,0,GDB ChEMBL
288464,CCC(C)C1NC(=[NH2+])COC1C[NH3+],0,GDB ChEMBL
21491,CCCc1ccc2c(F)c(C)c(F)c(F)c2c1,1,GDB ChEMBL
184878,CCC1(C(CCC[NH3+])CC(C)C)CC1,0,GDB ChEMBL
351151,CC1CN(CC#N)C1=O,1,GDB ChEMBL
203563,CC1CCCNC(=[NH2+])C(C)(CN)C[NH+]1C,0,GDB ChEMBL
280582,O=C1C2OCCC2CC2CN12,0,GDB ChEMBL
252740,CN=c1cc(OC)c(C)c(C(C)CO)cc1N,0,GDB ChEMBL
252851,CCC#CCCC1(C)CCC(C)C1,1,GDB ChEMBL
112382,CC(C#N)OCCC1CC(O)C1,1,GDB ChEMBL
222844,CC(=O)NCC(=O)Oc1nn(C)c(O)c1N,0,GDB ChEMBL
214038,C[NH2+]C1CC=C(C(C)C)C1(C)C,0,GDB ChEMBL
90308,NC(=O)CCS(=O)(=O)C1CN1,0,GDB ChEMBL
287312,CC(C)([NH3+])CC1OCC=CCCCC1O,0,GDB ChEMBL
25210,C#CC(C#C)(OCC)C1CCCCC(C)CC1,1,GDB ChEMBL
379884,CCC1(O)CC1[NH+]=C(N)CC(C[NH2+]C)OC,0,GDB ChEMBL
308330,CCC(C(C)OC1(C)CCC1)N(C)C(N)=[NH2+],0,GDB ChEMBL
277998,CC1C2CCCCC1C(C(C)(C)C)O2,0,GDB ChEMBL
116052,CC12OCCC3OC1CC3NC2=O,0,GDB ChEMBL
62016,C#CC1C2CC([NH3+])C(=O)NC1(CC)CC2(C)O,0,GDB ChEMBL
102148,CN1CC(C(N)C#N)(C(N)C(O)CO)NC1=[NH2+],0,GDB ChEMBL
236577,CC1CCN(C(=O)C[NH3+])C=N1,1,GDB ChEMBL
261341,NC(=O)NCc1conc1[NH+]=C(N)N,0,GDB ChEMBL
184088,OCCc1cc(-c2nnn[n-]2)c(Cl)cn1,0,GDB ChEMBL
320284,CC1([NH3+])C2CCN(CC#N)CC21,0,GDB ChEMBL
89389,CN1CCC1C(C#N)C[NH3+],0,GDB ChEMBL
139814,CCC(C)C1C2CC3C=CC1[NH+]3C2,0,GDB ChEMBL
367662,CCc1nc(N)oc(=O)c1CC[NH3+],0,GDB ChEMBL
309821,NC(C[NH3+])C1NCCOCCOC1=O,0,GDB ChEMBL
76795,Cc1nsc(NCCC[NH+](C)C)c1COC=O,1,GDB ChEMBL
354390,COC1(C)C2C1(NC(N)=O)CNS2(=O)=O,0,GDB ChEMBL
251828,O=C1NCC(C2OC2C(=O)[O-])O1,1,GDB ChEMBL
68644,CCC1C(C)CC=CC2CC[NH+]1C2,0,GDB ChEMBL
109526,NC1C(=O)OC(C(O)C[NH3+])(C(O)C[NH3+])CC1O,0,GDB ChEMBL
265516,C#CC1CC=C2CCc3c(C)cccc3C21,1,GDB ChEMBL
103433,COC(=O)CC1CC2C(C(C)=O)C2C1=O,1,GDB ChEMBL
223542,CCCC1C=CCC=CCC(O)C1O,0,GDB ChEMBL
299614,Cc1c(O)cn(C)c(=O)c1C,1,GDB ChEMBL
87692,CCC1CCCCC(O)C12C(C)CCC2CC,0,GDB ChEMBL
362363,CC1CC1(NCC(=O)[O-])C(F)(F)F,1,GDB ChEMBL
315186,CCN1CC=C(C2COC(=O)N2)C1=O,0,GDB ChEMBL
330401,NC(=O)OCCOC(=O)C1CN1,1,GDB ChEMBL
280481,CC([NH3+])C1[NH2+]CC(O)CCC12CCOC2,0,GDB ChEMBL
115576,CCC12CC3C(C)CCCC3(C)C1C2,0,GDB ChEMBL
131677,[NH3+]C1CCN(C=O)C(=O)C1C(=O)[O-],1,GDB ChEMBL
331506,CC(=[NH2+])NC1C(NC(C)=[NH2+])C1C(=O)[O-],0,GDB ChEMBL
119457,O=C1NCC(=O)N2CC(O)(CN1)C2,1,GDB ChEMBL
107011,C#Cc1nc(NC2(C)COC2)ccc1Cl,1,GDB ChEMBL
366493,C#CC(C)CC([NH3+])(CCC(C)C)CC(C)(C)O,0,GDB ChEMBL
351173,CC=C(CCNC=O)C(O)CC[NH3+],0,GDB ChEMBL
86724,CC(C)C1N2C(C(N)=O)C([NH3+])CC12C[NH3+],0,GDB ChEMBL
387047,C[NH2+]C1CC(C)([NH2+]C)CC1CN(C)CC(C)[NH3+],0,GDB ChEMBL
382478,CCC(N)C1[NH2+]Cc2cc3oc(C)nc3cc21,0,GDB ChEMBL
142895,CS(=O)(=O)N1C2CCCC(O)C21,1,GDB ChEMBL
330384,CS(=O)(=O)Nc1ccc(NCC#N)cn1,1,GDB ChEMBL
363010,O=C1CC2CNC1CS(=O)(=O)N2,0,GDB ChEMBL
352562,CCCOC(=O)CC12CC(C)(C=C1C)C[NH2+]2,0,GDB ChEMBL
92844,CC(CC1COC1)c1cncs1,1,GDB ChEMBL
142008,CC1CCOC(=O)CC(C([NH3+])COCCO)O1,0,GDB ChEMBL
354005,CC[NH2+]C1C(CC)C2=CC(C)CC(OC)C21,0,GDB ChEMBL
21869,[NH3+]CC(O)C1C([NH3+])C(=O)NC12C(O)C2O,0,GDB ChEMBL
285589,Cc1cc(Br)c2c(c1)NC(=O)CC21CC1,1,GDB ChEMBL
80444,CCC(C)CCc1c[nH]nc1C,1,GDB ChEMBL
137131,CCN(CC1(OC)CC1)C(N)=O,1,GDB ChEMBL
395653,C=CCc1cn(CCC)cc1CC,1,GDB ChEMBL
17446,C[NH2+]CC(O)CNC(=O)N(C)C,0,GDB ChEMBL
157696,CC1(O)C2COC1C(C(NCC#N)C(=O)[O-])[NH2+]2,0,GDB ChEMBL
126965,C#CC(C#C)C(C)C1CCCCC1,1,GDB ChEMBL
244327,C=C1NC(N)=[NH+]CCCOCC1O,0,GDB ChEMBL
50300,C=CC1=CCC2CC[NH+](CCC1)C2,0,GDB ChEMBL
124809,COC12C[NH+](CCO)CC13OC(C)CC23,0,GDB ChEMBL
372482,CC1(O)CCC(O)C(C2COC2)NC(=[NH2+])C1,0,GDB ChEMBL
318386,CC#CC1=CC[NH2+]CC1CCCCO,0,GDB ChEMBL
334712,CCC(C)(CCCCN1CC1(C)C)OC,1,GDB ChEMBL
155762,COCC(C#N)NC(=N)S(N)(=O)=O,1,GDB ChEMBL
180046,CCC(O)(CO)C(NC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
13817,Cc1oc(C(=O)[O-])nc1CC(C)(C)C,0,GDB ChEMBL
317577,CC(NC1C(N)=[NH+]CC1N)C(N)=O,0,GDB ChEMBL
84550,CCC1OC2C#CCCCCC[NH2+]C3C2C13,0,GDB ChEMBL
33290,CCC1CC=CCC(CC(C)(C)C)C(C)O1,0,GDB ChEMBL
39678,CCCCC(C[NH3+])C(C)OCCC#N,0,GDB ChEMBL
330038,CC1CC2(C)OC2C(N)C[NH2+]1,0,GDB ChEMBL
124241,C#CC1C(C[NH3+])COCC1[NH2+]C1CC1,0,GDB ChEMBL
277078,CCC(C(=O)[O-])C1C2CCC(O)C21,0,GDB ChEMBL
319151,CC1OCCNC(=O)NC2C1C2(N)C#N,0,GDB ChEMBL
230208,NC(=O)NCCc1csc(Br)c(C(N)=O)c1=O,0,GDB ChEMBL
305536,NC(=O)OC1C(C(=O)[O-])[NH2+]C2C(C[NH3+])NCC21,0,GDB ChEMBL
217683,CC1CC([NH3+])CC1(O)C[NH3+],0,GDB ChEMBL
119810,CC1OCC2NC(=[NH2+])OC21,0,GDB ChEMBL
17036,C#CCNc1cnc(CCCC(=O)CC)nc1,1,GDB ChEMBL
43980,CC1CC(=O)N2C(=O)CC(C)C2(CC[NH3+])C1,0,GDB ChEMBL
59226,CCC1(CCC[NH3+])CC1(C)CC1CC1,0,GDB ChEMBL
316436,C[NH2+]CC(C)C(O)(C=O)C(C)CCC(C)C,0,GDB ChEMBL
278205,CC1(O)C2CC(CO)C1[NH2+]CC(CO)O2,0,GDB ChEMBL
283400,CCc1nc(C=O)c(Cl)cc1CC(C)(C)C,1,GDB ChEMBL
380243,CC1CC(=O)[N-]S(=O)(=O)CC(=N)O1,0,GDB ChEMBL
304473,CC(O)C[N-]S(=O)(=O)c1cnnnn1,0,GDB ChEMBL
9912,N=C(N)NC(=O)C1(O)CC(=O)NC1=N,0,GDB ChEMBL
50128,CCCCc1cccc(C(C)C)c1Br,1,GDB ChEMBL
372635,CCOc1cc(CNC(NCC[NH3+])=[NH+]C)c[nH]1,0,GDB ChEMBL
132430,CCCNC(=O)C(CC#N)N=c1ocnn1C,0,GDB ChEMBL
23591,CC([NH3+])C1C2OC1(C)C(=O)NC2CC[NH3+],0,GDB ChEMBL
151062,CC1CCCOC2C(O)C1CCC2C(F)(F)F,0,GDB ChEMBL
221904,CCN=C1OCC(=O)N1CC#N,1,GDB ChEMBL
258257,COC(=O)C12CC([NH3+])C(O1)C([NH3+])C2C(=O)[O-],0,GDB ChEMBL
307888,CCOCC1C(CC)[NH2+]C2(C)CC2C1O,0,GDB ChEMBL
225883,CC(=O)C1CC(O)CCN2CC(C)(C2)N1C,1,GDB ChEMBL
184682,CC1CCC2(C1)OC21CC[NH2+]C1C(N)=O,0,GDB ChEMBL
292308,CCC1C=Cc2c1ccc1c2CCC(C)C1,1,GDB ChEMBL
155817,CC12CCC(CC1)CN2c1cccc(F)c1F,1,GDB ChEMBL
333068,CCC1OC1(C)C1C(=O)COC1CO,0,GDB ChEMBL
252608,N=c1cc(CCC(N)=O)c(O)cc(=O)[nH]1,0,GDB ChEMBL
359104,COC(C)C(C)(C=O)C1C(O)CC(C)[NH2+]C1C,0,GDB ChEMBL
258721,CCC12CCC(CC1)NC(=[NH2+])C2,0,GDB ChEMBL
273441,COCC(N)C1(C(N)=[NH2+])CC(O)C(=O)N1,0,GDB ChEMBL
273958,CC[NH2+]C1CC(O)C2NC2C1=O,0,GDB ChEMBL
385413,CN(CCC(N)=O)Cc1ncsn1,1,GDB ChEMBL
358498,[NH3+]Cc1nccc2c1C(=O)NC1CC1C=C2,1,GDB ChEMBL
345714,COC(=O)N1C2C(O)CCNS(=O)(=O)C21,0,GDB ChEMBL
334052,CCN(CS(C)(=O)=O)C(CO)CC(C)C,1,GDB ChEMBL
263513,NC1C([NH3+])C1N(C=O)C(=O)CO,0,GDB ChEMBL
244547,COC12CCCC1Cc1cc(C(C)O)ccc12,1,GDB ChEMBL
150143,CCc1ccc(Br)c(COC)c1,1,GDB ChEMBL
359149,CNC(C(N)=[NH2+])(C(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
68668,CCC1C(O)C2C3CC3C1[NH+]2CC,0,GDB ChEMBL
336039,CCCC1CC2=CCC(=O)C2C(O)C1,0,GDB ChEMBL
259422,Cc1c(N)cc(I)c2cccc(OC(C)C)c12,1,GDB ChEMBL
372550,CC1CCNC=[NH+]CC1C[NH3+],0,GDB ChEMBL
62073,C#CCN(Cc1ncco1)C(=O)C(C)(C)[NH3+],1,GDB ChEMBL
112769,CCC1(c2csc(C)c2CO)CCC(C)CC1,0,GDB ChEMBL
45718,CN=CNC(=O)CCC([NH3+])CCC(C)(C)O,0,GDB ChEMBL
198691,[NH3+]Cc1c(CO)ncnc1CO,0,GDB ChEMBL
109219,C#CC1CCC=C(C)CC1C(C)C,0,GDB ChEMBL
127767,C#CC(OC)C1(O)COC(C)C1,0,GDB ChEMBL
389379,O=CNC1(C#CCc2ccncc2)CCC1,0,GDB ChEMBL
239995,CC(C)Cn1ccc2c1CC1(C[NH2+]C1)C2,0,GDB ChEMBL
190027,CCC1(C)CC2CCC(C)C2(C2CCCO2)C1,0,GDB ChEMBL
7423,CNC(C[NH3+])C1CN(C)C2(C)CC(CO)[NH2+]C12,0,GDB ChEMBL
345429,NC(=O)C(=O)C1CC2C(C1O)N2C(N)=O,0,GDB ChEMBL
186772,CC#CCC1(C#N)CN(C=[NH+]CC(=O)[O-])C1,0,GDB ChEMBL
310104,CCOCCCCOCC#CC#N,1,GDB ChEMBL
361631,CC1=NC2C(O1)C21NC(=N)N(C)C1=O,0,GDB ChEMBL
267945,Oc1cccc2ccc(C(F)(F)F)c(I)c12,1,GDB ChEMBL
225414,CC1OCC2N(C)C1CC1CCN(C)CC12[NH3+],0,GDB ChEMBL
204533,CC(C#N)OC1C[NH+]=C(N)OC1CCO,0,GDB ChEMBL
62030,CC1C=CC2(C[NH+](C)C)CC1C(C)NC2=O,0,GDB ChEMBL
136122,N#CC1(C(N)=O)CS(=O)(=O)[N-]C1=N,0,GDB ChEMBL
104492,COCCC1CC(C)(C(C)C)C(C)CC(C)[NH2+]1,0,GDB ChEMBL
206980,COCC12N=C(N)NC(=O)C1C2O,0,GDB ChEMBL
59642,CC(C)C(C)(C)C1CCCCO1,1,GDB ChEMBL
115205,N#CCCC(=O)c1ccc([N+](=O)[O-])s1,1,GDB ChEMBL
160853,Cc1c(Br)ccc2c1C[NH2+]C1CC1C(C)C2,0,GDB ChEMBL
126642,C[NH+]=C(N)NC1C2CC(CCCO)C[NH2+]C21,0,GDB ChEMBL
248857,COC(=O)CNCC(C)OC(N)=O,1,GDB ChEMBL
161963,CN1C2C=CC3[NH2+]CC(O)CC3C1COC2,0,GDB ChEMBL
34281,C#Cc1cc(Cl)c(C(O)CO)c(O)c1C,1,GDB ChEMBL
31818,CNC(=O)C(O)CS(=O)(=O)C#N,0,GDB ChEMBL
87682,CC1(C)OCC23CCC(O)CC2=CCC13,0,GDB ChEMBL
374871,COCCC(C=O)N1CC1C,1,GDB ChEMBL
177852,CCOC1(C[NH3+])CCS(=O)(=O)NC(C)C(=O)O1,1,GDB ChEMBL
34398,O=COCC1CC(c2cncc(O)c2)C1,1,GDB ChEMBL
300420,CCC1CCC2CC3C(CO2)C3C1,0,GDB ChEMBL
151081,CN1C(=O)NCCCCOS1(=O)=O,0,GDB ChEMBL
78290,CN(C(=O)CS(C)(=O)=O)C(=O)C(=O)[O-],1,GDB ChEMBL
311677,[NH3+]CCC1C2CCC3OCC[NH2+]C3C12,0,GDB ChEMBL
385460,CCOC(=NCC[NH3+])[N-]C(=O)C(=O)OC,0,GDB ChEMBL
227540,CCC1C(O)C[NH+](C)C(C)C1C[NH3+],0,GDB ChEMBL
216462,CNC(=O)Cn1c(F)c([O-])cnc1=O,0,GDB ChEMBL
62589,CCC(C)(C#Cc1cccc(F)c1)C(=O)[O-],0,GDB ChEMBL
94875,C[NH2+]C(C)(C(=O)[O-])C(O)C(N)=O,1,GDB ChEMBL
127480,NC(=O)NC(CC([NH3+])CO)C(N)=O,0,GDB ChEMBL
352583,CC([NH3+])C1CCCCO1,0,GDB ChEMBL
191561,C#CC(C)(C)N(CCCC)C(=O)CNC(C)=O,1,GDB ChEMBL
17104,CCC(C)c1cccc2c1CCC2,1,GDB ChEMBL
198638,Clc1ccc2cc1N1CC1CC#CCC=C2,0,GDB ChEMBL
116056,CCCC12CC1CCCC([NH+](C)C)C2OC,0,GDB ChEMBL
221940,C#CC1CCCC(C)C2C(C1)C2(C)C,0,GDB ChEMBL
141754,CC(=O)Cc1ccc2c(=O)n(C)c(C)cc2c1,1,GDB ChEMBL
195487,C[NH2+]C1C2NC(C[NH3+])C(=O)OC21,0,GDB ChEMBL
331745,CCCN=C(N)c1nc(N)nc(CC#N)c1F,1,GDB ChEMBL
188520,CCC1C2OC(=O)CC2C1([NH3+])CO,0,GDB ChEMBL
372537,CC(CC1OC1C([NH3+])C(=O)[O-])S(N)(=O)=O,0,GDB ChEMBL
34276,CN1C(=O)NC2C1C2(O)C[NH3+],0,GDB ChEMBL
170079,CCC1C(C)COC2C(C)CC(C(C)(C)C)C12,0,GDB ChEMBL
127759,CCc1c(NS(C)(=O)=O)cc(=O)nnc1[O-],0,GDB ChEMBL
332367,N=C1NC2=NC(C(=O)[O-])C(O)C(O)C2O1,0,GDB ChEMBL
28159,N=C(NC(N)=O)OC1CNC(=O)C1O,0,GDB ChEMBL
305780,C#CC(C)Oc1nc(C)ncc1N,1,GDB ChEMBL
119641,COC12CC(C)C3CC[NH+](CC31)C2,0,GDB ChEMBL
59225,CCc1ccc(CC(O)C[NH3+])nc1N,0,GDB ChEMBL
17043,C#CCC1C2CCC1CC(C)(C)C2,1,GDB ChEMBL
156004,CC1NC(=O)C2CCCOCC(C)(C)C1(C)C2,0,GDB ChEMBL
116585,C#CC(COC)C(O)(C#N)CC(C)=O,0,GDB ChEMBL
280318,CC12OC1CCCC=CC2C1CC1,1,GDB ChEMBL
174181,CC[NH2+]C1(C)CNC(=O)CN2CC21,0,GDB ChEMBL
67882,CC12CNC(=[NH2+])N1C1COC2C1,0,GDB ChEMBL
130387,CC1CN(C)C(=O)OCC1(C)C,1,GDB ChEMBL
343208,C=CCC(=O)CC(C)(C)CC=CC,1,GDB ChEMBL
103902,C#Cc1cc(C)c(Br)c(C)c1OCC#N,1,GDB ChEMBL
86736,CCc1nc(CC(=O)[O-])sc1C(C)C[NH3+],0,GDB ChEMBL
44584,COc1cc(O)c2c(CC3CC3)ccn2c1,1,GDB ChEMBL
223994,CN1C2C3CC(O)C(CC3O)C21,0,GDB ChEMBL
236641,CCC1C2CC[NH+](C)CCCCC12C,0,GDB ChEMBL
112053,CC(C(C#N)NC(N)=[NH2+])C(O)(CO)CO,0,GDB ChEMBL
308279,C#CCC(C(C)O)C(C)C(C)C,1,GDB ChEMBL
75861,[NH3+]CC1C2C[NH2+]CCC(C(=O)[O-])N12,0,GDB ChEMBL
236642,O=C(NCC1CC1)C(=O)C1=CCS(=O)(=O)[N-]1,0,GDB ChEMBL
115256,[NH3+]C(CCO)Cc1ncn[nH]1,0,GDB ChEMBL
285729,C[NH2+]CCOCC1(O)CC(C)C[NH+]=C1N,0,GDB ChEMBL
387305,CN1CC1C(O)CC(O)C(=O)[O-],1,GDB ChEMBL
156010,C[NH2+]Cc1c(N)nc2n1CCC2,0,GDB ChEMBL
129545,COC1OC2C(O)CCC2C1CO,0,GDB ChEMBL
366778,CCNS(=O)(=O)C1CNC(=O)C(=O)C1,0,GDB ChEMBL
47699,C[NH2+]CC(C(O)CC(C)[NH3+])C(C)C(N)=O,0,GDB ChEMBL
70345,C[NH+]1CC2CCC1C2C1C[NH2+]C1,0,GDB ChEMBL
388419,C=CCOC(=O)c1n[nH]cc1C=C,1,GDB ChEMBL
389048,CCCCC1CC(C)(C)C(C(C)C)C1CCC,0,GDB ChEMBL
34852,CC1OCC(C)([NH3+])C(=O)NC1=N,1,GDB ChEMBL
143132,CC(O)(CCO)C[NH2+]CCNS(C)(=O)=O,1,GDB ChEMBL
70077,CC1CC2C(C)CC(C)([NH2+]1)C2CO,0,GDB ChEMBL
230248,CC(=O)Nc1cnc2cnnn2c1,1,GDB ChEMBL
395971,CCC[NH+]1C(C)C(C)(CCC#N)C1C,0,GDB ChEMBL
374042,CC1CC2OC2C2NC(=O)OC12,1,GDB ChEMBL
362998,CCC#CCC=CC(C)CCC[NH3+],0,GDB ChEMBL
149435,CCC(CC)CC(=O)C(N)=O,1,GDB ChEMBL
285560,C#CCC1(C(O)CCC)CCC1,1,GDB ChEMBL
358299,OC1COC(OCC2CCC2)C1,1,GDB ChEMBL
137099,[NH3+]CC1OCC2CC(NC=O)C(O)C21,0,GDB ChEMBL
312560,CCC1CC(C)C2CC3(CCCC(C)C3)CC12,0,GDB ChEMBL
289985,CCCC1C2C(C(N)=O)N2CCC1(C)[NH3+],0,GDB ChEMBL
359140,CC[NH+]=C1C(O)CCNC(N)=[NH+]CCN1C,0,GDB ChEMBL
99133,COc1nc(Br)ccc1O,1,GDB ChEMBL
31371,CC(=O)C1C(O)CC2CN1CC1OC21C,0,GDB ChEMBL
182231,CCCCC1=CCC(C(C)C)C=C1,1,GDB ChEMBL
137119,CC1=CNC(=O)C2CC[NH2+]C2C1N,0,GDB ChEMBL
78657,NC(=O)NC1CC2OCC1(O)C(O)C2[NH3+],0,GDB ChEMBL
104355,CC1(C)CCC1(C)c1cc(Cl)cc(Cl)c1Cl,1,GDB ChEMBL
243329,O=C1NCC2CCC(C2)CC2CCC3C1N23,0,GDB ChEMBL
225060,[NH3+]C1COC1C(O)CCNC=O,1,GDB ChEMBL
44944,CC1CCC23c4cccc(Br)c4NC12C3[NH3+],0,GDB ChEMBL
377958,CC(C)(O)C1NC(CC(=O)[O-])C1=NO,0,GDB ChEMBL
280876,CC1C(O)CNC2=[NH+]C(C(N)C(=O)[O-])C(=N)N21,0,GDB ChEMBL
85652,CC1=CC([NH3+])CC(C[N-]C(=O)C#N)C1,0,GDB ChEMBL
87706,C#CCC1CCC2CC(CC(C)C)CC12CO,0,GDB ChEMBL
253623,CC1C(=O)OC2CN1CCC(C1CC1)C2=O,0,GDB ChEMBL
42543,CCCCCC1CC2[NH2+]C1C2C,0,GDB ChEMBL
101948,CCC(C#N)N(CC(C)O)CS(N)(=O)=O,0,GDB ChEMBL
161786,CCN(C)C(=O)NC(N)=O,1,GDB ChEMBL
386405,C[NH2+]CC1OCC(C(N)=O)CO1,0,GDB ChEMBL
141925,CC1CC2(C1)CN(C)C1CC(C)OC1C2=O,0,GDB ChEMBL
159688,CC([NH3+])CNCc1nnn(C)c1CO,0,GDB ChEMBL
71673,NC1(C[NH3+])C2CC([NH3+])C(O)C1NC2=O,0,GDB ChEMBL
299575,CN1CCN(C)c2ccnc(Br)c2C1=[NH2+],0,GDB ChEMBL
81572,N#CCCNCCNCC#N,1,GDB ChEMBL
22603,CC[NH+](C)C(CN)C1CCC2(C)C(C)C12,0,GDB ChEMBL
44331,Cc1ccc2c(C)c(cccn1)C(C)OC2,0,GDB ChEMBL
346834,CCCC1(CC=O)CC=CC1,1,GDB ChEMBL
197092,CCC(O)C1=CC(c2ccc(Br)cc2)[NH2+]C1,0,GDB ChEMBL
174904,NC(=O)C1=CCC(C[NH3+])C1,0,GDB ChEMBL
367611,CNC(=N)N1CC2(CC2)C(=O)C1=O,1,GDB ChEMBL
215452,NC(=[NH2+])NC1C(C(O)CC[NH3+])[N-]S1(=O)=O,0,GDB ChEMBL
156047,CC1C2C3CCC(C13)[NH+](C)C2CO,0,GDB ChEMBL
336637,CC(C)CC1(C)CC(O)C2(CCC2)C1,1,GDB ChEMBL
258014,C#CC(C[NH3+])c1cc(Cl)cc2c(Cl)ccnc12,0,GDB ChEMBL
75869,O=C(NC12COC(C1=O)C2O)c1ccco1,0,GDB ChEMBL
20751,CC([NH3+])C(N)C1[NH2+]CCCC1C,0,GDB ChEMBL
273806,CCCCC1CC2(C1)CC2[NH3+],0,GDB ChEMBL
4864,[NH3+]CC(O)C1COCOC(=O)CO1,0,GDB ChEMBL
70199,NC(=O)NCC(O)C1OC(=O)C2C([NH3+])C12O,0,GDB ChEMBL
205954,CCOS(=O)(=O)NC1COC(=O)CC1CC,0,GDB ChEMBL
276073,CN(C)C(C#N)(C(=O)[O-])C1C[NH+]=C(N)O1,0,GDB ChEMBL
159871,C#CCCCc1c(C(=O)[O-])c2n(c1O)CCC2,0,GDB ChEMBL
80220,CCCN1CCCc2c1cc(N)nc2[NH+]=CN,0,GDB ChEMBL
190853,CN(C=[NH2+])CCCOCCNC(=O)C=O,0,GDB ChEMBL
323175,CC1CCOC1CCCCO,1,GDB ChEMBL
325851,COCC(CC([NH3+])CC(=O)[O-])(OC)C(O)C#N,0,GDB ChEMBL
248261,CC(NC1C(=O)OC(OC(N)=O)C1C)C(N)=O,0,GDB ChEMBL
206824,Cc1ccc(CC2([NH3+])CCC2)cc1C,0,GDB ChEMBL
53884,C#Cc1ccc(CC(C#C)(C#C)CC)cc1,0,GDB ChEMBL
244628,CCC(C)C(COCC1(C)CCCC1)C(C)C,1,GDB ChEMBL
290264,C=CCC1CC2[NH2+]CCC(=O)C2O1,0,GDB ChEMBL
148870,Cc1cnn(C2C3CC(C[NH2+]3)C2C)c1,0,GDB ChEMBL
78630,CCC1C2CCCC1C(CO)O2,0,GDB ChEMBL
58967,Cc1nn(C2COCCOC2)c(C(C)C)c1N,1,GDB ChEMBL
230691,CCCCc1cc(Br)c(CC(C)(C)C)c(Br)c1,1,GDB ChEMBL
108171,CC#CC1(O)CC2(CCOC2)C1,1,GDB ChEMBL
258284,CC1OC(=O)C2OC(=O)NC1C(C)(O)C2O,0,GDB ChEMBL
64637,CCC(C1=CCCCOC1)C1OC1C[NH2+]C,0,GDB ChEMBL
5846,CCCc1cc(F)cc(C(CC)(CC)CC)c1,1,GDB ChEMBL
203137,CC1(O)C([NH3+])C(C(CC#N)NC(N)=O)C1[NH3+],0,GDB ChEMBL
232067,CCN1CC(CC(C)O)(C(=O)C[NH2+]C)C1=O,0,GDB ChEMBL
344357,NC(=[NH2+])CC1CN(CCO)C1=O,0,GDB ChEMBL
303857,C=C1C(C)CC2(C)C(CC)CCC12,1,GDB ChEMBL
235508,CC1=CC(CC(=O)CCNC(N)=[NH2+])OC1,0,GDB ChEMBL
309201,CNc1nc(=O)c(C)c(Cl)s1,1,GDB ChEMBL
277818,Cc1ccnc(Oc2nn(C)c(=O)o2)c1,0,GDB ChEMBL
358106,CC1C2CC[NH+]3C2C=CC(O)C13,0,GDB ChEMBL
286862,CCCC[NH+]1CC2CC1C(C(O)CO)C2C,0,GDB ChEMBL
235500,CC(C)C1(C)CC2OCC2(C#N)C1=O,0,GDB ChEMBL
289856,CC(CNC(=[NH2+])CS(N)(=O)=O)C(N)=O,0,GDB ChEMBL
210962,CCn1nc(N)c(C(N)=O)c1[O-],0,GDB ChEMBL
305117,C=CC1C[NH2+]C(C)CC2C(CC)C12,0,GDB ChEMBL
2135,Cc1cc(I)c(CC#N)nc1N,1,GDB ChEMBL
200991,CC1(C)C2CCC(CNC(=O)C1[NH+]=CN)OC2,0,GDB ChEMBL
22850,CN1C(=O)C2CC1(C)CC21OC1C(C)(C)O,0,GDB ChEMBL
310101,C#CC(CC#CC)COCCC(CC)CC,1,GDB ChEMBL
67604,CCOCC1(C)C=CC(=O)N1,1,GDB ChEMBL
170233,CC[NH2+]C1(CC(C)C)CC2CCC(C2)C1,0,GDB ChEMBL
39961,O=C1NC2CC1[NH2+]CC2c1cnsc1,0,GDB ChEMBL
252315,C=CC(C#CC)[NH2+]CCC=C(C)C,0,GDB ChEMBL
388279,C#CC1C(CCCC)=C(C)C(=O)C1O,0,GDB ChEMBL
65916,CCCCc1cnc(N)c(CC(C)(C)C)n1,1,GDB ChEMBL
126613,[NH3+]C(COC1CCOC1)C1CCC(=O)OC1,0,GDB ChEMBL
200572,COC(=O)C1(O)CNC1C(CO)OC(N)=[NH2+],0,GDB ChEMBL
228302,NC(=O)C1N=C(C2CC2)OC1=O,1,GDB ChEMBL
341303,CC1CN1C(=O)OCC(N)C#N,1,GDB ChEMBL
370321,CC(C)C1C(=O)NC2C[NH2+]CC3OC(=O)CC231,0,GDB ChEMBL
116100,CC1=CC(=O)C(C2CC2)OC1,1,GDB ChEMBL
147952,COC(C)C[NH+](C)CC12CC([NH3+])(CO1)CO2,0,GDB ChEMBL
74337,O=C([O-])C1COC1(CCO)c1nnn[n-]1,0,GDB ChEMBL
337818,CC(O)C(CS(N)(=O)=O)C(O)C[NH3+],0,GDB ChEMBL
132464,CC(C)C[NH2+]C1C=CC2OC12,0,GDB ChEMBL
395911,[NH3+]C12CC(O)CN3C(=O)CC1C32,0,GDB ChEMBL
109726,Cc1ccc2c(c1C[NH2+]C(C)C)CC(C)(C)O2,0,GDB ChEMBL
37133,C#CC([NH3+])c1cc(N)cc(F)c1O,0,GDB ChEMBL
74324,C[NH2+]CC1CC1(C#N)C1CC(C)OC1C,0,GDB ChEMBL
222549,CCCOCCCCCC1(C(C)C)C[NH2+]C1,0,GDB ChEMBL
347955,CC(=O)N(CC(C)O)C(C)=O,1,GDB ChEMBL
22822,CC(C=CCS(N)(=O)=O)C(O)CC#N,0,GDB ChEMBL
334353,CC1CCC(C#N)(C(C)C(=O)NC(=O)CN)O1,0,GDB ChEMBL
21694,N#CC1OC(=O)CC(O)C(O)C1N,0,GDB ChEMBL
122930,COC1CCOC2CC(C)(O)C[NH2+]C12,0,GDB ChEMBL
119811,CCc1ccc(Cl)cc1C(C)(C)[NH+](C)C,0,GDB ChEMBL
99412,CC(=O)Cc1cc(C(N)=O)on1,1,GDB ChEMBL
40883,C#CC1=CC(CO)(OC)C([NH3+])CC1,0,GDB ChEMBL
9870,C[NH+]1CC2NC(=O)CC([NH3+])C2C1,0,GDB ChEMBL
321773,CC1(C#N)C(=N)NC(=O)COCCC1=O,1,GDB ChEMBL
21698,CC(C)N1CC1C(=N)NC(=O)C[NH3+],0,GDB ChEMBL
363562,CC12CC(CC(OC(CO)CC(=O)[O-])C1)[NH2+]2,0,GDB ChEMBL
147245,C[NH2+]C(CC(=O)[O-])C(C)NCC(C)=O,1,GDB ChEMBL
12858,Cc1cc2ccc1Oc1cc([nH]n1)CCO2,1,GDB ChEMBL
298086,COC(=O)CN1CC=C2COCC2C12CC2,0,GDB ChEMBL
337801,CCCc1c(N)nc(O)c(I)c1C,1,GDB ChEMBL
78661,C#CC(OC(N)=[NH2+])C(=O)NC(=N)N,0,GDB ChEMBL
361674,CC(O)C1(N2C(=N)NCCCS2(=O)=O)CC1,0,GDB ChEMBL
51047,Cn1cncc(C2(C#N)CNC(=O)C2N)c1=O,0,GDB ChEMBL
244598,CC([NH3+])CCC(C)[NH2+]CC1CO1,0,GDB ChEMBL
38187,OCCOC=Nc1cncnc1N1CCC1,1,GDB ChEMBL
366026,CNc1csc(C(N)=O)n1,1,GDB ChEMBL
305333,CCCC1(C)CC2CC1(C)CC(C)CC2C,0,GDB ChEMBL
201016,C[NH+]=CNC(=[NH2+])NCCC#N,0,GDB ChEMBL
124862,C#CCCC(C)(C#CC)C1CCCC1,0,GDB ChEMBL
140296,CCOC1C=CC(C)(C(N)=O)C1C[NH3+],0,GDB ChEMBL
181511,C#CC(=O)N(C)Cc1cc(C=O)c(O)cc1I,1,GDB ChEMBL
386148,NC(Cc1cnc[nH]1)C([NH3+])CO,0,GDB ChEMBL
333670,NC(=O)OC1C(O)C(C(N)=O)NCC1([NH3+])CO,0,GDB ChEMBL
156103,N#CC1C(N)CC(N)C(=O)[N-]S1(=O)=O,0,GDB ChEMBL
70147,CC1OCC2CC3CCCC=C3C21C,0,GDB ChEMBL
160997,CC1CCCC2C=C3C[NH+](C)CC3CC2O1,0,GDB ChEMBL
137126,Nc1c(Cl)cccc1CC=O,1,GDB ChEMBL
245512,CN(C)C(=O)C1(N)CCOC1=O,1,GDB ChEMBL
243371,CCc1c(N)c(Cl)c2[nH]c(CC[NH3+])cc2c1C,0,GDB ChEMBL
379187,NC(=O)C(O)C1CN=C(N)N1C=O,1,GDB ChEMBL
127143,CCC(C)(C)CC1C#CCCC=CCC1,0,GDB ChEMBL
199058,CCC(NC(N)=O)C(=O)Cn1ccnn1,1,GDB ChEMBL
5016,CC1(C)CC[NH+]2C(CC3CCCC(O)C2C3)C1,0,GDB ChEMBL
121971,CN1C(=O)OCC1(CO)CCOC(C#N)C#N,0,GDB ChEMBL
31283,C=CC1CC([NH3+])C(C)NCC1[NH2+]C,0,GDB ChEMBL
143463,CC[NH+](CCO)CCC(C#N)C(N)=[NH2+],0,GDB ChEMBL
346499,C[NH2+]CCC1C2OCCC[NH2+]CC12O,0,GDB ChEMBL
99828,C#CC1OC(OC)C(CO)(C[NH2+]C)CC1C#N,0,GDB ChEMBL
379113,CC1CCCC1CC1CC=CC1,1,GDB ChEMBL
205745,C[NH2+]CC(C)CC#CCC(C)C,0,GDB ChEMBL
22523,CC1CCCCC=Cc2ccc1c(I)c2,1,GDB ChEMBL
379133,CC1CC2C[NH2+]C(C)C(O)C1C2,0,GDB ChEMBL
315286,CC(OC(N)=O)C1(C#N)NC2COC1C2,0,GDB ChEMBL
344374,CCC[NH2+]CC1[NH2+]CC(C)(C=O)C1C,0,GDB ChEMBL
233917,CC[NH2+]CC1CC2C[NH+](C)C(CC)C1(C)C2C,0,GDB ChEMBL
191340,CCc1cc(Br)c(CCCC(C)C)c(C)c1C,1,GDB ChEMBL
268132,[NH3+]CC1C2CC[NH2+]CCC1C2C(F)(F)F,0,GDB ChEMBL
397063,C[NH2+]CC(=O)C(CCO)[N-]S(=O)(=O)C(N)=O,0,GDB ChEMBL
333057,CC(C1C[NH+]=CNCC(=O)N1)N(C=O)CCO,0,GDB ChEMBL
31102,Cc1nc(N2CC(=O)NC2=O)sc1N,1,GDB ChEMBL
19393,COCC(=[NH2+])NC(C)C,1,GDB ChEMBL
292323,C=CC(C=C)C(CC#N)CCCC,0,GDB ChEMBL
357668,CC(C)(C)CC([NH3+])CC1CC1,0,GDB ChEMBL
366032,CCC1CC(C(=O)NC)C2[NH2+]C1(C)C2O,0,GDB ChEMBL
175744,COC1(c2cc(N)c(O)c(N)c2)CC1,1,GDB ChEMBL
7399,CC1OC2(C[NH3+])CC1CC2C,0,GDB ChEMBL
156496,CC(=O)NC(=O)CC([NH3+])C(N)=O,1,GDB ChEMBL
286282,CCC(C1CNC(=O)O1)C(C[NH2+]C)C1CN1,0,GDB ChEMBL
133368,C[NH+]=C1C(CNC(C)=O)C(CO)C(C=O)N1C,0,GDB ChEMBL
157743,CC1C=C2CCOCC2C1O,0,GDB ChEMBL
208334,COC(C)(C)C1C[NH2+]CC1O,0,GDB ChEMBL
207306,CNC1C(=O)NCC(C)(C)N=C1N(C)C(N)=O,0,GDB ChEMBL
32002,CN1C2C=CC1(C(N)=O)CCC2C[NH3+],0,GDB ChEMBL
2110,CCCNc1cc(CC(C)CC)c(C)cc1F,1,GDB ChEMBL
103929,CC1N(CC2CC2)C1(C)COS(N)(=O)=O,0,GDB ChEMBL
62778,CC1=NC(CC[NH3+])C(=O)N1,0,GDB ChEMBL
146051,CCC(=CS(N)(=O)=O)Cn1ccnc1,1,GDB ChEMBL
369344,COCC1CCCC(=O)OCOC(=[NH2+])N1,0,GDB ChEMBL
336571,C#CC(C)[NH+]1CC2CCC(C#N)C1C2,0,GDB ChEMBL
139839,CC(C)(C)CNC1=[NH+]CCC(=O)C1CO,0,GDB ChEMBL
118103,CC1=[NH+]C(CC(C)C[NH3+])(C[NH+](C)C)CN1,0,GDB ChEMBL
258219,[NH3+]CC1NS(=O)(=O)CC12OC2C([NH3+])C(=O)[O-],0,GDB ChEMBL
201476,C#CCCc1cc[nH]c(=O)occ(C(N)=O)c1,0,GDB ChEMBL
222818,NC(=O)C(=O)COC1CC1,1,GDB ChEMBL
140818,CC(=NO)C1C(C=O)NC(=O)C1NC(N)=O,0,GDB ChEMBL
263190,CC(CC1CC=CC=CC1)CC(C)(C)C,1,GDB ChEMBL
38767,C[NH2+]C1CCC2CC1=CCC(C#N)CC2[NH3+],0,GDB ChEMBL
190469,CCCC1CC(C)C2CCC(CC)CC2(C)C1,0,GDB ChEMBL
98849,CC1=CC23CC[NH2+]CCOCC2C3C1,0,GDB ChEMBL
279102,C1CCC2C3CCC3C(CC1)C21CC1,0,GDB ChEMBL
148514,N#CC(O)C(C#N)(CO)CC(N)(C[NH3+])C(=O)[O-],0,GDB ChEMBL
47368,CC1CCCC(C)(C2C=CCCC2C)[NH2+]1,0,GDB ChEMBL
120352,CCCN(CCO)c1[nH]nnc1COC,1,GDB ChEMBL
141741,Oc1ccc(F)c2c1OCC2,1,GDB ChEMBL
182084,CC(CCc1ccc(F)cc1)C1(C)CCCC1,0,GDB ChEMBL
119783,C[NH2+]CC1OC(C)(C#N)C1C(=O)[O-],0,GDB ChEMBL
148243,NC(=[NH2+])N1C2C(=O)OC(C[NH+]=C(N)N)C21,0,GDB ChEMBL
95530,CC(O)C1N=C(N)N(S(C)(=O)=O)C1=N,0,GDB ChEMBL
215273,COCCNC(=[NH2+])N1CC1CN,0,GDB ChEMBL
133980,N#CCC(C[NH3+])OC(=O)C1(O)CNC(=O)C1,0,GDB ChEMBL
345385,NC(=O)OC(CO)C1[NH2+]CCC1C(N)=O,0,GDB ChEMBL
298921,NC1=[NH+]C(C(CO)C(O)C(=O)[O-])CN1,0,GDB ChEMBL
100735,COCCC1([NH3+])C(C)OC(C(=O)[O-])C1(C)C#N,0,GDB ChEMBL
307542,COC(=O)NC1C(=NO)CC(C)CN2CC12,0,GDB ChEMBL
386419,CCOCC(NC(C)CO)=[NH+]C(C)C,0,GDB ChEMBL
271009,Cc1cscc2ccnc(O)c2cc(N)c1,0,GDB ChEMBL
207316,CC1C[NH+]2C3CC4(CC24)C(=O)NC13,0,GDB ChEMBL
61541,CCC1C(C(C)O)C2CC2CCC1(C)C,0,GDB ChEMBL
124753,C[NH2+]C1(CCOc2ccccc2)CC1,1,GDB ChEMBL
201681,CNCC(O)(C#N)C(=O)N(C)C(C)C(C)C=O,1,GDB ChEMBL
124141,CCC1(C)CNC(=O)C(C#N)C2CN2C1,0,GDB ChEMBL
28265,CC1C=CC[NH2+]CC(CC[NH3+])C1,0,GDB ChEMBL
177867,CC(O)CC(CNCCC[NH3+])[NH+](C)C,0,GDB ChEMBL
307957,CCC(CC)CCC1C2CC=CCC21,1,GDB ChEMBL
254877,Oc1cc(Cl)cnc1C1CC=CC=CC1,0,GDB ChEMBL
71413,CN1CCC2NC(=O)C1C1C2C[NH+]1C,0,GDB ChEMBL
124847,C[NH2+]CC(C(N)=[NH2+])n1cncn1,0,GDB ChEMBL
108167,CCCCNC(=[NH2+])C(=O)[O-],1,GDB ChEMBL
334655,NC(=O)OC1CC(O)(C[NH3+])COC1=O,0,GDB ChEMBL
331750,CCCC1C2CCC(C)CCC(C(C)C)C12,0,GDB ChEMBL
156551,NC(=O)C1OC(C([NH3+])C(=O)[O-])OCC1O,1,GDB ChEMBL
133299,CCC(C)C1OC1(C)C(C)CC(C)C,0,GDB ChEMBL
354059,C[NH2+]CCCC(C(C)=O)C1(O)CC1C(=O)[O-],0,GDB ChEMBL
296658,CN(CCO)C1COC(=O)OC1C[NH3+],0,GDB ChEMBL
76800,CC[NH+]1CC2CCCC(=[NH2+])NC(CCC1C)C2,0,GDB ChEMBL
305961,CCC(OC)C(=O)c1cncs1,1,GDB ChEMBL
290260,C#CCCC(C)(C)CC(C#C)C1CCCCC1,0,GDB ChEMBL
116584,COc1cc(C#N)c(I)c2c1CS(=O)(=O)NC2,1,GDB ChEMBL
76718,CCC1OC1(C)CCC([NH3+])CC#N,0,GDB ChEMBL
228312,CS(=O)(=O)NCC1C(O)COC1C(N)C[NH3+],0,GDB ChEMBL
31401,CCCC1Cc2cccc(C)c2CC1CCO,1,GDB ChEMBL
53059,CC1CC12CC[NH+](C)CC2,0,GDB ChEMBL
7368,CC1CN1C(CS(N)(=O)=O)C(O)CO,0,GDB ChEMBL
51090,C[NH2+]CC(O)C1CCOC1(CC(O)CO)OC,0,GDB ChEMBL
271859,C[NH+]1CC2CC=CCCC23CC13,0,GDB ChEMBL
41598,C[NH2+]C1(CC(=O)[O-])CC(C=O)CC1C(N)=O,0,GDB ChEMBL
70125,CC12C[NH2+]CCCC1C1[NH2+]C(C2)C2OCCC12,0,GDB ChEMBL
17588,C#CCCC(C(=C)C)C1CC1CC,0,GDB ChEMBL
203163,CC(O)C(O)C1C(C(N)=[NH2+])NC1C(N)=O,0,GDB ChEMBL
242634,CCCCC1=CCN(C2COC2)CC1(C)C,0,GDB ChEMBL
66202,CC(=O)c1cc(O)c(N)c(=O)o1,1,GDB ChEMBL
356849,CC(C)C[NH2+]CC1=CCC(C)(C)CC1=NO,0,GDB ChEMBL
316320,C#CC(C#N)N(CC(=[NH2+])NCC)C(N)=O,0,GDB ChEMBL
358536,COC12C[NH+](C)C(CO)(CC(C[NH3+])(CO)C1)C2,0,GDB ChEMBL
84207,CC1[NH2+]CCNC(=O)C1C=O,0,GDB ChEMBL
194765,[NH3+]CCC([NH3+])CN1CC2CC[NH2+]C2C1,0,GDB ChEMBL
141879,Cc1ccc2n1CC(C)(C#CC[NH3+])C2,0,GDB ChEMBL
151836,COC1CC2(C)CC1CCc1cccc(Cl)c12,0,GDB ChEMBL
338550,N#CC1CCC(C2C[NH2+]C3C(=O)COC32)N1,0,GDB ChEMBL
73306,C#Cc1cc2c(nc1CC#N)OCC21CC1,1,GDB ChEMBL
352878,CC1C2CCc3ccc(Cl)cc3CC1C2,0,GDB ChEMBL
70780,CCC([NH3+])C1CNC2C(O)C(=O)NC(=O)C2O1,0,GDB ChEMBL
249850,CC1(C)OC2CNC(CCCC2(C)C)C1=O,0,GDB ChEMBL
250524,CNC(=O)C1C(=O)OC(C(O)C(N)C#N)C1O,1,GDB ChEMBL
77032,COC(=O)CCCC(=O)C(=O)CO,1,GDB ChEMBL
124868,C#CCn1ccnc1C(C)[NH3+],0,GDB ChEMBL
97146,C[NH2+]C(CC1CC(=O)CCC(C)(O)C1)C(=O)[O-],0,GDB ChEMBL
228311,NS(=O)(=O)OCCOCC(C[NH3+])C[NH3+],0,GDB ChEMBL
201385,CC1C2C[NH+]3C(C=O)CC2CCC13,0,GDB ChEMBL
164671,CCCC=C1CC[NH2+]C1CC(C)O,0,GDB ChEMBL
38873,CC1[NH2+]CC(C[NH+]=C(N)N)C1O,0,GDB ChEMBL
362213,N#CC1(C(O)CC[NH3+])NC(N)=NC1C(N)=[NH2+],0,GDB ChEMBL
260594,CC(O)C1NS(=O)(=O)C(C(N)C[NH3+])C1CO,0,GDB ChEMBL
396753,CC#CC(C)=CC(CC)C(=O)OC,0,GDB ChEMBL
316154,N#CC1CCOC(=O)N1CCO,1,GDB ChEMBL
261460,C[NH+](C)CC1OC2C[NH2+]C(C)(CO)CCC21,0,GDB ChEMBL
122868,N#CC(N)C1CC2CC(O)C[NH+]1C2,0,GDB ChEMBL
120824,CCC1C2C=C(C)C1C(C)C([NH2+]C1CC1)C2,0,GDB ChEMBL
313705,CCC(C)c1coc(C)c1CO,1,GDB ChEMBL
222133,C#CC[NH2+]CCNC(C=O)(C=O)CCC,0,GDB ChEMBL
37325,C[NH2+]CC1OC(=O)[CH-]C(=O)C1=O,0,GDB ChEMBL
119982,CC(C)(O)C[NH2+]C1CCc2occc21,0,GDB ChEMBL
273828,CC#Cc1occc1-c1cccc(Cl)c1,1,GDB ChEMBL
60935,CC1CCNC(c2cn[nH]c2)C1[NH3+],0,GDB ChEMBL
298903,Cc1c(Cl)ccc2c1CCCC1OC2C1C,1,GDB ChEMBL
88120,CNC(=O)COC1C([NH3+])COC12CC2,0,GDB ChEMBL
179506,Cc1ccc(C=O)c2ccccc12,1,GDB ChEMBL
234878,CC1N=COC2C(C(=O)NCC[NH+](C)C)C12,0,GDB ChEMBL
347862,CCN1C(=O)C2CC(=O)C1C(C)O2,1,GDB ChEMBL
316275,CCC1(O)CCC(C(N)=[NH2+])CC1,1,GDB ChEMBL
274824,N#Cc1nnn(CC(N)=O)c1[O-],0,GDB ChEMBL
363013,C[NH2+]C1CC23C([NH3+])C(=O)N4CC1C2C43,0,GDB ChEMBL
170438,O=C(NCC1CCC1)C1CC1,1,GDB ChEMBL
208423,C[NH2+]CC(C(N)=[NH2+])C(O)C(C)[NH+](C)C,0,GDB ChEMBL
348612,CC12C=CCCCCC([NH2+]C1)C(O)C1CC12,0,GDB ChEMBL
79373,CC1CC2CC(O)CC2=C1CCC(F)(F)F,0,GDB ChEMBL
72399,CN1CC(C(=O)NCC2CC2)=CCS1(=O)=O,0,GDB ChEMBL
250664,COC1CC2C[NH2+]CC(NC1C)C2O,0,GDB ChEMBL
162953,CC12CCCCCC1C2CC[NH3+],0,GDB ChEMBL
13829,C#CCC(C)C1CCC(C)C(C)C1C[NH3+],0,GDB ChEMBL
372136,C#CC1[NH2+]CC1(C)c1c(F)cccc1F,0,GDB ChEMBL
191330,C#CC1(C)CC2CCCC(C)[NH+](C)C2C1,0,GDB ChEMBL
106590,C#CCC(O)C1(COC)CC1,1,GDB ChEMBL
243376,C=C(CCn1nccc1[O-])C[NH2+]C,0,GDB ChEMBL
333080,CC1C(C)C1c1cccc(C(C)(C)C)c1,1,GDB ChEMBL
122977,Cc1c(Br)cnc(C(C)C)c1C1CCC1,1,GDB ChEMBL
392749,[NH3+]CC1C(=O)OCC12C(O)C2O,0,GDB ChEMBL
3773,CCC1C2CCCCC1(C)CCC(C)C(C)C2,0,GDB ChEMBL
60995,CCCC1C(O)CC2(N)C=CCC2[NH+]1C,0,GDB ChEMBL
152077,CNC(=O)CS(=O)(=O)C(C)C,1,GDB ChEMBL
71458,CC1CCC2[NH2+]CCC(C)(C)C(C1)C2(C)C,0,GDB ChEMBL
271487,O=C1Cn2nnc(C(=O)[O-])c2C(=O)N1,0,GDB ChEMBL
393938,C#CC1(O)CCC(C)(C(C)C)C(C(C)CC)C1,0,GDB ChEMBL
318173,COC1C(=NO)C2C(CO)CC1CC[NH+]2C,0,GDB ChEMBL
10567,[NH3+]C1(C2NCCC[NH2+]C2CCO)CC1,0,GDB ChEMBL
351345,CN1CC[NH+]2CCC(CC(C(N)=O)C1)C2,0,GDB ChEMBL
40359,CC(=O)C(=N[O-])C1(C)CCC(=O)NCC[NH2+]1,0,GDB ChEMBL
355142,CCC(=O)NCC(O)C(=N[O-])C1([NH2+]C)CC1,0,GDB ChEMBL
41657,COc1ncnc(O)c1CC(O)C(N)=[NH2+],0,GDB ChEMBL
177131,CC1CC(O)C23CNC(=O)N2C13,0,GDB ChEMBL
280849,CCCC1CC(C)=CCC(=O)C=C(C)C1,0,GDB ChEMBL
11202,Cc1cc(C2CCCC2)cc(F)c1C,1,GDB ChEMBL
29431,CCC1OC2C(C)[NH2+]CCCCC1C21CO1,0,GDB ChEMBL
38743,CCC1CC2(O)CCC(C)C(C2)C1=O,1,GDB ChEMBL
13125,COC1CCC2(CC[NH3+])C(=O)OCC3C1C32,0,GDB ChEMBL
356837,CC1C[NH+](C)CC1([NH3+])C1CC1,0,GDB ChEMBL
189773,C=C1CC(OC)(C([NH2+]C)C(C)O)C1,0,GDB ChEMBL
368164,C#CC1(CC)CCCC(C)(CC(C)CCC)C1,1,GDB ChEMBL
93730,C[NH2+]CC(N)C1[NH2+]C(C(C)O)C1C,0,GDB ChEMBL
291878,COC(C[NH3+])C1C2OCC1(C)NC2=O,0,GDB ChEMBL
293858,C[NH2+]C(CC(CC[NH3+])OC)C(C)(N)CO,0,GDB ChEMBL
242940,COC(C(N)C#N)C1C(O)C1([NH3+])CC(N)=O,0,GDB ChEMBL
328876,CN1CC2CCC(C(N)=[NH2+])NC(=O)C21,0,GDB ChEMBL
68656,CCC(O)CCCC1C(C)CC([NH3+])C1[NH3+],0,GDB ChEMBL
280310,O=C1NC2CC(O)C23COCC[NH2+]C13,0,GDB ChEMBL
354721,CCCOc1cnoc1[N+](=O)[O-],1,GDB ChEMBL
109159,CCCN(C=[NH2+])C1CCOC(CO)C1C(=O)[O-],0,GDB ChEMBL
150525,NC(=O)NCC1C[NH2+]C1CS(N)(=O)=O,0,GDB ChEMBL
209661,CCC(C)C(C[NH3+])C(C)(CC(C)O)C(=O)NC,0,GDB ChEMBL
29976,CCCC1(C)CCC(O)C(C)=CC1=O,0,GDB ChEMBL
191687,CC1=CC(C)C[NH2+]Cc2cncc(c2)C1=O,0,GDB ChEMBL
366908,C=C1C=CCCC(C)C12C[NH+](C)C2,0,GDB ChEMBL
300960,CCC1OC(=N)C(N)C(O)C(OC(N)=O)C1O,0,GDB ChEMBL
298910,C#CC1C(C#N)CC[NH2+]C1(C)CC(C)(C)CC,0,GDB ChEMBL
84575,C#Cc1cc(C(C)C#C)c(F)c(N)c1O,0,GDB ChEMBL
254870,NC(N)=[NH+]c1nc(N)nn1CCO,0,GDB ChEMBL
174276,CCn1nncc1S(=O)(=O)CCOC,1,GDB ChEMBL
173926,C[NH2+]C1(C#CCOC)CC1,0,GDB ChEMBL
83550,NC(=[NH2+])NCC(C(=O)[O-])C1(C[NH3+])CC1,0,GDB ChEMBL
239088,COc1noc2c([O-])c(C)c(C(=O)[O-])c(C)c12,0,GDB ChEMBL
160818,CC(C)[NH2+]C(C=O)CC(C=O)(CO)C(N)=[NH2+],0,GDB ChEMBL
330347,CC1=C2CCc3ccc(I)cc3CC2CC1,0,GDB ChEMBL
120391,NC1C2CC(C[NH2+]2)C(O)CN2C(=O)OCC12,0,GDB ChEMBL
202513,NC(=O)C1C2CC(O)C([NH3+])CN21,0,GDB ChEMBL
87650,CC1=CC2(C)C3CC(CCCC3C)C2C1,0,GDB ChEMBL
60929,CCCCC12CC(CO1)CC(N)C(=O)O2,0,GDB ChEMBL
197239,CC1CCN1C(=O)C(O)C1C=CCC1,1,GDB ChEMBL
271569,CCC1CC(C)(CC)CC2CC2C1OC,0,GDB ChEMBL
206845,CS(=O)(=O)NCC1CC2(C[NH3+])OC2CC[NH2+]1,0,GDB ChEMBL
84455,CCC1C(=O)NCC(O)C(C)(N)C([NH3+])C1O,0,GDB ChEMBL
276099,COC(=O)N(C)C1CN2CC([NH3+])(C=C1C)C2,0,GDB ChEMBL
300132,CC(O)C1CCC(C)C(C)O1,1,GDB ChEMBL
26353,CC1(C)CC[NH2+]C(C=O)C2CC21,0,GDB ChEMBL
362024,C#CCCNC(=O)C(C#N)NC,1,GDB ChEMBL
269379,CCC1C=CCOc2cc(C)ccc21,1,GDB ChEMBL
316153,C#Cc1nocc1NC(=O)C(C)(C)C,1,GDB ChEMBL
254941,CC(O)CC1[NH2+]C(C)C1CCS(C)(=O)=O,0,GDB ChEMBL
228293,C=CCC#CCCCCC=CCC,1,GDB ChEMBL
321931,NC1=NC(C(=O)[O-])C([NH3+])COC1,0,GDB ChEMBL
155052,C#CC(=C)C=CC=CCCC(C)C,1,GDB ChEMBL
116040,CC(Nc1cc(CO)n[nH]1)C(=O)C(N)=O,0,GDB ChEMBL
341894,OC1CC2CCCC3C2C[NH2+]C13,0,GDB ChEMBL
285618,C[NH2+]C(CO)C(O)CC=O,1,GDB ChEMBL
215383,CCc1cc2cc(C)c(Cl)c(C)c2[nH]1,1,GDB ChEMBL
350287,COC1CC=CC(C)(C#N)C(O)CC1,0,GDB ChEMBL
239998,C#CC[NH2+]C1CCCC(C)(C)CCC1C,0,GDB ChEMBL
241096,CN1C(=[NH2+])C2CC[NH2+]CC(O2)C([NH3+])CC1CO,0,GDB ChEMBL
249533,CCC(CO)[NH+]=C(N)NCC(=O)n1cncn1,0,GDB ChEMBL
80460,CC1CC[NH+]2CC=CC(N)=[NH+]CCC12,0,GDB ChEMBL
240368,C#CCC(C)([NH2+]CC(=O)CC)C(C)C,0,GDB ChEMBL
260126,CC(=O)N1C(C[NH3+])C1C(=N)NS(C)(=O)=O,0,GDB ChEMBL
239351,CC1CC2(CC(CO)[NH2+]1)NC(=O)C([NH3+])C2O,0,GDB ChEMBL
260749,CC[NH2+]C1(C)CC(O)C([NH3+])CCC(C)C1[NH3+],0,GDB ChEMBL
280333,CCC1C2C(C)CCCC(CCC1(C)C)C2C,0,GDB ChEMBL
177855,C[NH+](C)CC(C(=O)[O-])C1(N)COC(=O)C1O,0,GDB ChEMBL
358152,N#CC1C2CCN1C1CCOCC(O)CC2C1,0,GDB ChEMBL
300693,CCC1([NH3+])C(O)C1CS(N)(=O)=O,0,GDB ChEMBL
260175,CCCC1CCNC(=O)C([NH3+])C(O)C1OC=O,0,GDB ChEMBL
267317,CCCCCCC1C(C)C(C)CC1(C)C,0,GDB ChEMBL
115253,C#CC1(C#C)CN1c1cc(C#N)ccc1F,0,GDB ChEMBL
1957,[NH3+]C1COC(=O)[N-]C2=NCC1O2,0,GDB ChEMBL
198810,CCC(=O)C(=NCC(C=NO)CCO)OC,0,GDB ChEMBL
148727,CC1CC#CCOC(C)(CO)CCC(=O)O1,1,GDB ChEMBL
190459,C1CCC2(CC1)CCC[NH2+]CC2,0,GDB ChEMBL
121736,NC(=[NH2+])C1(O)C(O)CC2OCCCC[NH2+]C21,0,GDB ChEMBL
207400,CCC[NH2+]C1C2(C)CC(O)C1(O)C2=O,0,GDB ChEMBL
281213,O=CCOC1C#CCCCC(=O)NC1,1,GDB ChEMBL
338530,CC1(C(F)(F)F)C=CCC=CCCC=C1,1,GDB ChEMBL
193313,CCC1CCN(CC(C)[NH3+])S(=O)(=O)OC1,0,GDB ChEMBL
119864,CS(=O)(=O)c1cc(O)cc2c1CNC(=O)C2,1,GDB ChEMBL
336079,CC1NC(=O)C2OC12C(=O)CO,0,GDB ChEMBL
201376,CC1=CC(=O)CC=CC1C(C)CO,0,GDB ChEMBL
244478,CC#Cc1cc2cc(N)c(Cl)cc2[nH]1,1,GDB ChEMBL
345759,Cc1cc(Br)nc2c1CC(O)C2,1,GDB ChEMBL
339975,COC1(C)CC(C[NH+]2CC=CCC2)C1C,0,GDB ChEMBL
289457,C#CC1(C([NH3+])CO)COCCCN1C,0,GDB ChEMBL
47776,CC1CCC(C(=O)[O-])C2CC(C)OC2O1,0,GDB ChEMBL
288976,C[NH+]=C1CC2CC2N1c1cc(Cl)ccc1N,0,GDB ChEMBL
349650,CCCN1C(=O)C([NH3+])CC2CC1(CO)C2,0,GDB ChEMBL
119276,CC(CO)C(=O)N(C)C,1,GDB ChEMBL
110261,C#CC12CCC[NH2+]C(CCC1)C2,0,GDB ChEMBL
339052,Cc1cc(C[NH3+])nc(N)sc(=N)[nH]c(=O)c1,0,GDB ChEMBL
175707,NC(=O)C(N)C([NH3+])CN1CC1C(=O)[O-],0,GDB ChEMBL
355828,C[NH2+]CC(=N[O-])C1(C)OC(CO)CC1C#N,0,GDB ChEMBL
377329,[NH3+]CCCCc1c[nH]c2ccsc12,0,GDB ChEMBL
131664,O=C1CC2C=CC1CNC2=O,1,GDB ChEMBL
92861,[NH3+]C1CCC2(CO)CC2C1C(O)CC(=O)[O-],0,GDB ChEMBL
339012,CCCC1(C2(C(=O)CO)CC2)CC1,1,GDB ChEMBL
220134,C[NH2+]C1CC([NH3+])C2C(=O)OC12,0,GDB ChEMBL
255401,CCNC(N)=[NH+]CC#N,1,GDB ChEMBL
30328,C#CC1CC[NH2+]CC[NH2+]C(C)CC1(C[NH3+])C[NH3+],0,GDB ChEMBL
39931,CCCC1(C(C)[NH+](C)C)CCC=CCO1,0,GDB ChEMBL
370234,NC(=[NH2+])NCCCOc1nsc(N)n1,1,GDB ChEMBL
244514,CNC(=O)C(N)C[NH2+]CC(CC#N)OC,0,GDB ChEMBL
29468,CN1CC2(C(=O)C#N)OC2C1CO,0,GDB ChEMBL
44976,CCC(=O)N1CC2C3CCC=C3C1C1CC21,0,GDB ChEMBL
325273,CCC(C)C1CC(C)=CC=C(C)C1,0,GDB ChEMBL
15999,CN1CC(C)([NH3+])C(CO)CC(O)CC1=O,0,GDB ChEMBL
182888,[NH3+]C(c1ccncc1F)C1CC(=O)O1,0,GDB ChEMBL
264959,COC1OCC(NC(=O)C([NH3+])C(O)CO)C1O,1,GDB ChEMBL
309167,CC(C)C1C2CCC1C(CO)C2,1,GDB ChEMBL
355014,CCC1NC(=O)C2OC1C1COCC2(CO)O1,0,GDB ChEMBL
337111,CC1CC(O)CNC(=O)C(CC(=O)C=O)C1,0,GDB ChEMBL
95200,CC1(C([NH3+])CS(N)(=O)=O)CCNC1=O,0,GDB ChEMBL
223311,CC1CC(O)C([NH3+])C1C(N)C[NH3+],0,GDB ChEMBL
121758,CC([NH3+])C1(CCO)CC=CC1,0,GDB ChEMBL
104679,O=C1C=C(Cc2ccno2)CN1,1,GDB ChEMBL
71306,Cc1nc(C(O)CO)ccc1C#N,1,GDB ChEMBL
77528,COC(=O)C1=CCCCCOC1,1,GDB ChEMBL
260544,CC(=[NH2+])NC(C)(C#N)C(C(N)=O)C(N)=O,0,GDB ChEMBL
116603,COCCC(=O)c1nn[nH]c(=O)c1[O-],0,GDB ChEMBL
108154,C#CC(C[NH2+]CC)C(C#N)C=O,0,GDB ChEMBL
259495,CCC1C2CC(C[NH3+])C(C)[NH2+]C12,0,GDB ChEMBL
394926,CC(=[NH2+])NCCC1CN(CC=O)CCC1C#N,0,GDB ChEMBL
221119,NC1C2NC(=O)CCOC3C(CO)C[NH2+]C123,0,GDB ChEMBL
275667,CC(=O)N(C)C(=O)NCC1CC1C(C)(C)C,1,GDB ChEMBL
251953,CCCC1CCC2CCC(CC)(C[NH2+]C)C2C1,0,GDB ChEMBL
223255,CC(C(N)=O)N(C)C(=O)n1cnnn1,1,GDB ChEMBL
147850,Nc1cc2cc(F)ccc2[nH]1,1,GDB ChEMBL
110254,C#CCc1cn(C2CC2)cn1,1,GDB ChEMBL
338113,C#CCC1CC2CCC1(C)C2CCC,0,GDB ChEMBL
313767,O=C1NCCC2C3[NH2+]CC(N1)C23,0,GDB ChEMBL
23643,C#CCCCc1cnc(C#C)c(N(C)C)c1Cl,1,GDB ChEMBL
50352,CC1CC(O)C2C(C)CCC1C21CC1,1,GDB ChEMBL
369321,CCC(C)(C)C1CCC(C)C2CCCCC1C2,0,GDB ChEMBL
255487,CCc1cc(C(=O)[O-])co1,0,GDB ChEMBL
309624,COC12C[NH2+]CC(O)C1NC(=O)C2N,0,GDB ChEMBL
226258,COCC1OC(=N)C(CNS(C)(=O)=O)C1O,0,GDB ChEMBL
76794,N#CC(CNC=O)C1CCOC1,1,GDB ChEMBL
141931,C[NH+](C)C(CO)CC[NH+]=C(N)CC(O)C(N)=O,0,GDB ChEMBL
300419,[NH3+]Cc1cnc2c(c1)CCC2C1=NCCO1,0,GDB ChEMBL
61501,CCC1C2C(O)Cc3c(cnn3C)N(C)C12,0,GDB ChEMBL
117349,COC1C2C[NH+](C)CC2CC[NH2+]C1C1CO1,0,GDB ChEMBL
182103,CCC(C)CC1CC1CC1CCC1,1,GDB ChEMBL
238009,CC(=O)c1c(C)c(C)nc(Cl)c1O,1,GDB ChEMBL
275480,OCC1C2NC2C(O)C2CCC[NH+]21,0,GDB ChEMBL
210742,CC(O)C1C[NH+](C)CC12C(O)C2C(N)=O,0,GDB ChEMBL
377963,CC1COC(=O)C(CC[NH3+])C1(C)C1=NCCO1,0,GDB ChEMBL
76688,COC1C(N)C2[NH2+]C1C2CC(=O)[O-],0,GDB ChEMBL
228785,C#CC1C2[NH2+]CC(CO)C(CC2C)C1C(C)O,0,GDB ChEMBL
230461,NC(=[NH2+])N1CC(CO)CNC1=O,0,GDB ChEMBL
171842,COC(C)CNC(=[NH2+])OCC=O,1,GDB ChEMBL
149284,CCCC1CC(C[NH3+])N=C(C(C)CO)O1,0,GDB ChEMBL
215853,CC(O)C(O)CC(C[NH3+])CCS(=O)(=O)[O-],0,GDB ChEMBL
271368,O=C1C(O)CCC2C=CCN12,1,GDB ChEMBL
152038,CCc1cc2ccc1CCCCC(C)C(C)C2,1,GDB ChEMBL
283990,O=C([O-])C1C2C=CC1C21CO1,0,GDB ChEMBL
117430,CCCCC1C(C)C(CCC)CCC1(C)CC,0,GDB ChEMBL
174234,C#CC[NH2+]CCCc1cncc(CC)c1,0,GDB ChEMBL
6020,C#CC(N)=[NH+]c1cc(Cl)ncc1CCC,0,GDB ChEMBL
223502,C[NH2+]C1CC(=O)OC(C)C1,1,GDB ChEMBL
286337,CC1=CC(=O)CC1C(=O)C(N)=O,1,GDB ChEMBL
38892,CC[NH+]1CC(C)NC2CCC21,0,GDB ChEMBL
77831,C#CC1C2C[NH2+]C1C(CCC)OC2,0,GDB ChEMBL
83018,CCCC(NC(N)=[NH2+])=[NH+]CC(C)(C)C[NH3+],0,GDB ChEMBL
95475,CC1(C)CC(CO)C(O)c2nccc(Br)c21,0,GDB ChEMBL
130397,CCC(C)(C)[NH2+]C1CC([NH3+])CC2OC2C1,0,GDB ChEMBL
170423,CCC1c2c(Cl)cccc2C2C(C)C12C,1,GDB ChEMBL
141744,NC(=[NH2+])C1N2C(=O)C(C(=O)[O-])C(O)C12CO,0,GDB ChEMBL
97093,O=CN1CC2CC2C(O)C1=O,1,GDB ChEMBL
27754,CC#CCC1=CC(C(C)=O)N(C)C1,0,GDB ChEMBL
265478,CCC1CC=C2C1CC[NH+](CC)C2C,0,GDB ChEMBL
141810,COC1CC(C)(O)C(O)C1C=O,1,GDB ChEMBL
153702,CCC1C(=O)C2(CC(C(C)C)C2)CN1C,0,GDB ChEMBL
29620,O=C([O-])C1C2COC3C1COC23,0,GDB ChEMBL
392766,CCC(C)CC1C(C)CC(C)C1(C)C[NH3+],0,GDB ChEMBL
40007,CCOCCC(O)C(O)c1nc[nH]c1CC#N,0,GDB ChEMBL
137094,CN1CC2C3CC(C(CN)[NH2+]3)C2C1=O,0,GDB ChEMBL
317991,CCc1cncc(OC)n1,1,GDB ChEMBL
16498,CCC(NC(=O)CS(N)(=O)=O)C(O)C#N,1,GDB ChEMBL
345722,C1CC(CC2CC(C[NH+]3CCC3)C2)C1,0,GDB ChEMBL
63162,COC1(C#N)OC(CCC(=O)[O-])CC1=O,0,GDB ChEMBL
389350,CNC1=[NH+]C(C(C)(C)C)CN1,0,GDB ChEMBL
397930,CC(=O)C1C=C(C)C(C2CCC[NH+](C)C2)C1,0,GDB ChEMBL
67598,CC1=CCC[NH+](CC2C=C(C)C(=O)C2)C1,0,GDB ChEMBL
112555,N#CC1C(O)C(O)C2[N-]S(=O)(=O)C1NC2=O,0,GDB ChEMBL
99814,CNC(=O)CCCCc1cc(N)no1,1,GDB ChEMBL
192564,CCN(C)C(=[NH2+])Cc1nccc(O)c1Cl,0,GDB ChEMBL
61295,CNC(N)=[NH+]c1c(COC)csc1C#N,0,GDB ChEMBL
203115,C[NH+](C)CC1CC2(C)CC(C#N)CCC1(C)O2,0,GDB ChEMBL
156157,CC1(OC(N)=O)C(C[NH3+])CC1C(O)CO,0,GDB ChEMBL
3775,COCC(CO)NC(C#N)C(O)CO,0,GDB ChEMBL
245859,COc1c(Cl)cc(N2CC2(C)C)c(O)c1C,1,GDB ChEMBL
26623,CC(C)C1CC(=O)C(O)C(C)C1,1,GDB ChEMBL
135805,NC(=NC1(CO)CCCCNC(=[NH2+])C1)NC=O,0,GDB ChEMBL
179124,CC1CC2CC(CCc3cccc1c3F)C2,0,GDB ChEMBL
147981,C#CCC(C#C)CCc1cc(F)cc(F)c1F,0,GDB ChEMBL
72413,CCCC1(C=O)C(=O)CC(C(C)[NH2+]C)CC1=O,0,GDB ChEMBL
102275,[NH3+]C1CC2OC1C1COCC21,0,GDB ChEMBL
372538,CC1CCC(C)(C2CC2)C1(C)C,1,GDB ChEMBL
340481,CC1(C)C=CC2CCCCC(C2)C1,0,GDB ChEMBL
101042,C#CC(O)C(=NCCC)NCCC1OCCO1,1,GDB ChEMBL
210187,COCCC1(CCC(C)C)C[NH2+]C1C(C)C,0,GDB ChEMBL
360871,O=C1NC2C(CO)C2(C(=O)[O-])C2OC12,0,GDB ChEMBL
90304,C#CC1C(C)CC=CC1(O)C(C)[NH2+]CC,0,GDB ChEMBL
104646,CC[NH2+]CC1C2CC[NH+](CC3=CCCC31)C2,0,GDB ChEMBL
87081,CCOC1(C2CC2)CC(C)(C)C1,1,GDB ChEMBL
388411,COCCC1(C(C)C#N)C(C)([NH3+])C1(O)CO,0,GDB ChEMBL
319306,C[NH2+]C1C2C(O)C(C)(OC)CC(C)C12C,0,GDB ChEMBL
280793,CC1C(O)C2CCCC1(C)CC2CC(O)CO,0,GDB ChEMBL
68475,N#CCC(COCC[NH3+])C1([NH3+])CC1,0,GDB ChEMBL
106652,CCC1CCC2CCCC(CC2C)C(C)C1,0,GDB ChEMBL
215665,CCOC(C)(CC)COC(C#N)CNC,1,GDB ChEMBL
354085,Cc1nc(O)c(I)c(NCC2(C)CCCO2)n1,1,GDB ChEMBL
44339,CCC(C)(OS(N)(=O)=O)C(N)=O,1,GDB ChEMBL
117452,N#CC#CC1NC(CO)c2cccc(F)c21,1,GDB ChEMBL
333855,CNC(=O)N1CC2NS(=O)(=O)C1C2CO,0,GDB ChEMBL
123038,NC(=[NH2+])NC(C=O)C1(O)C2CCOC21,0,GDB ChEMBL
300124,Cc1cc2c(I)cc(N3CC3)cc2n1C,1,GDB ChEMBL
292964,CCC1=CC(CO)=CCCCC1,0,GDB ChEMBL
22565,CCOCC([NH3+])c1nc(N)nn1C,0,GDB ChEMBL
50939,COC(C)C(=NCCO)OCC(=O)[O-],1,GDB ChEMBL
106658,CC12C[NH+]=C(N)C1C(O)C([NH3+])C(C(=O)[O-])N2,0,GDB ChEMBL
217031,CCC#CC1(c2cccc(C)c2)CC1,1,GDB ChEMBL
234850,C#CC(CCC)c1ccc(F)c(C)c1,1,GDB ChEMBL
240448,Cc1cc(F)c2c(c1)OC(C)OC2C,1,GDB ChEMBL
290519,CCNc1c(C)ccc(C2CN2)c1F,1,GDB ChEMBL
50221,CC12C=CC(CC(O)C(CO)C1)N2C=O,0,GDB ChEMBL
290153,O=CC1C2C[NH2+]CC(CC1(O)C(=O)[O-])N2,0,GDB ChEMBL
326441,CC1=CC(CCCC(=O)[O-])C(O)C1O,0,GDB ChEMBL
41624,CCC1(C)CCCCCCC#CC(O)C1,1,GDB ChEMBL
208297,O=C1CC2CC[NH2+]C3CCC(C3)C3C(O1)C23,0,GDB ChEMBL
179167,[NH3+]C1CC12CC(=O)NCC(=O)O2,0,GDB ChEMBL
122695,COCc1c[nH]c(C)c1CCCn1cnnn1,1,GDB ChEMBL
247322,CC#CC(C)(CCC(C)=O)[NH2+]CC(C)C,0,GDB ChEMBL
176503,CCC([NH3+])C(O)CC1(CC)CC1C(F)(F)F,0,GDB ChEMBL
31402,CCOS(=O)(=O)NCCC(=O)[O-],1,GDB ChEMBL
162517,O=C1CNc2nonc2CN1,1,GDB ChEMBL
13852,[NH2+]=C1Nc2cccc(O)c2C2CCC12,0,GDB ChEMBL
104984,NC(=[NH2+])NCCC(O)CNC(=[NH2+])NC=[NH2+],0,GDB ChEMBL
279960,CCCC1(C)C=CCC(O)C2CCC1OC2,0,GDB ChEMBL
372713,CC1CC(C)C([NH+](C)C2CC3CC3C2)C1C,0,GDB ChEMBL
384835,CCCC1C2OC(=N)OC2CC1N(C)C(N)=O,0,GDB ChEMBL
94599,Cc1cn(C(N)=O)nc1C[NH2+]CCCC(=O)[O-],1,GDB ChEMBL
27785,COC(=O)C(O)C1CCC(O)C(C)(CO)C1O,0,GDB ChEMBL
190339,CCCC1CC2C(C)CC3CC3C2(C)C1,0,GDB ChEMBL
397953,CN=C(CC(C)O)NC(=O)CNS(C)(=O)=O,1,GDB ChEMBL
26387,CCCc1cc(CC)cc(OC)cc1=[NH2+],0,GDB ChEMBL
140810,NC(=O)CCc1c[nH+]c(N)cc(=O)c1,0,GDB ChEMBL
181022,NC(=O)C12NCC([NH3+])C1C2O,0,GDB ChEMBL
130367,CCC(C[NH2+]C)CC(CC)(OC)C(O)C(C)C,0,GDB ChEMBL
191392,CC([NH3+])CC(O)C1CC[NH+]2CCCC1(C)C2,0,GDB ChEMBL
79627,CN(CCS(N)(=O)=O)CC(O)C(N)C#N,1,GDB ChEMBL
347921,CCOC(C)C1(O)CC(O)CN(C(=N)N)C1=O,0,GDB ChEMBL
182510,CCOC(C)C(CCC[NH3+])c1cc(C)n(C)c1,0,GDB ChEMBL
260750,CC[NH2+]CC(C(=O)[O-])C1(N)CC([NH3+])C(O)C1[NH3+],0,GDB ChEMBL
222898,C[NH2+]C1CC(O)C(O)C(O)C1OC,0,GDB ChEMBL
130414,COc1nnc(OC)n1CCC(C)(C)O,1,GDB ChEMBL
177164,COCC1(C(C)CC(F)(F)F)C=CCC1,0,GDB ChEMBL
115777,C#CCCC#CCC(CO)C(C)C,1,GDB ChEMBL
284889,CNC1C2CC(O)C[NH+]=C(N)C1C(C(C)O)[NH2+]2,0,GDB ChEMBL
234949,CC[NH2+]C1C2C=C(C)C1CCO2,0,GDB ChEMBL
285103,CC1=CNC=[NH+]CC(C)(CC(=O)[O-])C1,0,GDB ChEMBL
53276,CCCC(C[NH2+]C)OCCCCC(C#N)CC,0,GDB ChEMBL
201045,C[NH2+]CCC1C(=O)CCCC1CCCCC#N,0,GDB ChEMBL
102150,C#CCC1C2COC1(C)CC(O)C2C(C)C,0,GDB ChEMBL
273826,N#Cc1c(O)cccc1N1CCC(=O)C1=N,1,GDB ChEMBL
34751,C[NH2+]C(COC)COCCC=O,0,GDB ChEMBL
201377,CC(C)CC1CCC2C=CC=C2C1,1,GDB ChEMBL
197031,CC(CNC(N)=O)CC1=CCC(=O)C1C,0,GDB ChEMBL
325226,COC1(C(N)=O)C2OC(=O)C1C(C)C2O,0,GDB ChEMBL
378286,CCC(O)C([NH3+])CC(N)=[NH2+],0,GDB ChEMBL
132675,C#CCC1(CC(C)C[NH2+]C)CC=CC1,0,GDB ChEMBL
313752,CCNC(C=O)C(=O)OCC1CN1C,1,GDB ChEMBL
300684,CCCCC1NC2C([NH3+])COC12,0,GDB ChEMBL
25161,CCCC1C2CCC(OC)CC(C)C1(C)CC2,0,GDB ChEMBL
279244,NC(=O)CNC(CO)C1C([NH3+])C1(O)C(N)=O,0,GDB ChEMBL
142511,NC(=O)N(CCO)Cc1nnc(Cl)nn1,0,GDB ChEMBL
162509,C#CC(CC)CC1C=CCC[NH2+]1,0,GDB ChEMBL
243957,CCCC1(C)CCCC(CC)C(C)(C(C)C)C1,0,GDB ChEMBL
219495,CC[NH2+]CC(C)N(C)CC#CC=O,0,GDB ChEMBL
89702,CC[NH+]1CCCc2cccc3c2C1CC3C,0,GDB ChEMBL
259587,CCCC1[NH2+]C2C3(N)C(=O)OC1C23O,0,GDB ChEMBL
302444,C=C(C)C1C2C=CC1CC(CC)C2,1,GDB ChEMBL
160826,C#Cc1ccccc1C1C2CC[NH+]1C2,0,GDB ChEMBL
292696,CCC1(C)CC=C(C)CC(C#N)C(C)[NH2+]1,0,GDB ChEMBL
80507,CC1COC(=O)C(C)(N)C1NS(C)(=O)=O,0,GDB ChEMBL
357658,CC1=CC2C(C[NH3+])C2CCCC([NH3+])C1,0,GDB ChEMBL
89082,CCCC(O)C12OC(=O)C3[N-]S(=O)(=O)C1C32,0,GDB ChEMBL
127295,CCC1(c2noc(C)n2)CCC(C)C1,1,GDB ChEMBL
372592,COC(C)CC(N)C(=O)OC(C[NH3+])C(C)C[NH3+],0,GDB ChEMBL
85069,CN(CCS(=O)(=O)NC=N)C(N)=[NH2+],1,GDB ChEMBL
377928,C[NH+]1CC(C)(C2=CC3[NH2+]CCOCC3C2)C1,0,GDB ChEMBL
92307,CC(O)(CO)C1OC(=[NH2+])NC1C[NH3+],0,GDB ChEMBL
53036,Cc1cccc(NC2(C(C)C)CCC2)n1,1,GDB ChEMBL
33197,CCc1ncc(N(C)C)cc1I,1,GDB ChEMBL
197428,CC1CC([NH3+])C(O)(CCC[NH3+])C1,0,GDB ChEMBL
99643,C#CC(C#N)c1c(I)cc(C)cc1N(C)CC,1,GDB ChEMBL
358928,CC(=O)OC(C(C)[NH3+])C(C)CN1CC1,0,GDB ChEMBL
397093,O=C(CO)N1CC2OC2C1,1,GDB ChEMBL
229418,COC1C2C(=O)C=CC1(CCO)CC2O,0,GDB ChEMBL
286830,Cc1nc(F)c(C(=O)[O-])c(F)c1F,1,GDB ChEMBL
226213,CNC(=O)C(O)C1[NH2+]C2COCC21,0,GDB ChEMBL
93739,C[NH2+]CCc1ccc(CC(C)=O)c2occc12,0,GDB ChEMBL
132256,NC1=NCC(=O)Nc2ncnc(n2)OC1,0,GDB ChEMBL
204608,NC(=[NH2+])C1(C(=O)[O-])CC1OCC[NH3+],0,GDB ChEMBL
333098,O=C1CC(O)COCCN1,1,GDB ChEMBL
112389,CC(C)(C)CC(C)(C)c1ccc(Br)cc1,1,GDB ChEMBL
297268,NC1C(=O)OC2C(O)C(=O)NC2C1N,0,GDB ChEMBL
84475,C[NH2+]CC1CCC([NH3+])C1N,0,GDB ChEMBL
236018,Cc1ccc(Cl)c2c1nc1n2C(C(C)C)CN1,1,GDB ChEMBL
131861,CN1CCCC=CC([NH3+])C1CC(F)(F)F,0,GDB ChEMBL
280314,CC1CC([NH3+])C(O)CNCC(O)C(=O)O1,0,GDB ChEMBL
22049,CC1(O)C(C#N)[N-]C(=O)C2([NH3+])COCC21,0,GDB ChEMBL
222850,C1=CC2[NH2+]CC3(CC3)CC2C1,0,GDB ChEMBL
276027,CC1CC2C3CCC2[NH+]1C(CO)C3,0,GDB ChEMBL
279077,CC12OC(C(O)C1NC(N)=[NH2+])C2NS(C)(=O)=O,0,GDB ChEMBL
391344,CC1=Cc2cccc(F)c2C(C)C12CCC2,1,GDB ChEMBL
64076,CC1CC2[NH2+]CC3(C)OC(=O)C=C(C23)N1C,0,GDB ChEMBL
33312,COCC1C(COC)C12CC=CC2O,0,GDB ChEMBL
354131,CC(O)Cc1cc(O)c(C(C)C(C)C)c(O)c1,1,GDB ChEMBL
68681,CCCc1ccc(Br)c(CC)c1,1,GDB ChEMBL
99141,CC(C)CC1C=CCC(C(F)(F)F)C1,1,GDB ChEMBL
274113,CC(=O)C(N)=NC1COC1,0,GDB ChEMBL
33550,Cc1cncc(C(CC=O)C(C)C)c1Cl,1,GDB ChEMBL
321783,CCC1(C)CCC(O)CC[NH2+]C2(C)CCCC12,0,GDB ChEMBL
45662,Cc1ccoc1C12CN=C(C1)OCCC(=O)N2,0,GDB ChEMBL
176470,CC([NH3+])C(O)C(=O)OC1CCC1CO,0,GDB ChEMBL
240498,CCCC(C)(O)CC1=NCC(C)C(O)CO1,0,GDB ChEMBL
262300,CC(O)C1C2C(C)[NH+]3CCC12C3,0,GDB ChEMBL
363799,CC1OC2COC(C2O)C1(CCO)NC(N)=[NH2+],0,GDB ChEMBL
306399,CC[NH2+]C(C)(C)c1cc(O)c(C)c(OC)c1F,0,GDB ChEMBL
160851,N#CC1(NC(N)=O)CNC(=[NH+]CC(=O)[O-])NC1,0,GDB ChEMBL
267390,CCCC1CC(C(C)(C)C)C2CC=C(C)C12,0,GDB ChEMBL
319796,CCCC1OC(C)COC1OC,1,GDB ChEMBL
42586,C[NH2+]C1CC(O)C=C1CO,0,GDB ChEMBL
340152,CC1(C)CC(CO)CC2C[NH2+]CC2[NH2+]C1(C)C,0,GDB ChEMBL
34233,CCN1C=CC(=O)C([NH2+]C)C1,0,GDB ChEMBL
271033,CCC1C2C[NH2+]CCC(C2)[NH+]1C,0,GDB ChEMBL
230484,Cc1cc2cc(c1)CCCCCC=CC=C2,1,GDB ChEMBL
255381,CCC(O)(CC#N)c1cc(C)cc(NC)c1,1,GDB ChEMBL
50230,C#CC1CC(C=O)(CC(C)C(C)O)C[NH2+]1,0,GDB ChEMBL
58515,Cc1cc2c(cc1CC1CCCC1)C(C)CC2,1,GDB ChEMBL
5850,COCC[NH+]=C(N)CNC(=O)CCC=O,0,GDB ChEMBL
257449,O=C([O-])CN1CC1Cn1cnnn1,1,GDB ChEMBL
44993,COc1c(N)nc(OC=O)nc1N,1,GDB ChEMBL
34730,C#Cc1cc(F)nc(CCC)n1,1,GDB ChEMBL
53068,CCCc1cc2ccoc2c2c1CC(C)(O)C2,0,GDB ChEMBL
137410,CNC1=[NH+]CCC(C#N)CCO1,0,GDB ChEMBL
235675,O=C1CC2[NH2+]CC3(O)COC(=O)N1C23,0,GDB ChEMBL
47198,O=C1OC(C(=O)[O-])C2CNC1C(O)CC2O,0,GDB ChEMBL
49134,CC(C([NH3+])C(=O)[O-])C1(C)C[NH+]=CN1C,0,GDB ChEMBL
113476,CCCCC(C)(CC)CCC(C)CC(C)CC,0,GDB ChEMBL
27922,CNCC1(C#N)CC(C)(CO)CC([NH3+])CN1,0,GDB ChEMBL
68490,CC1C=CCC2(CCC2)CCC(C)C1,1,GDB ChEMBL
84554,CCc1cn(CCC#N)c2c1CC(C)(C)C2C,1,GDB ChEMBL
275523,CN(C(N)=[NH2+])C(CCO)CC(C)(C)C#N,0,GDB ChEMBL
288710,O=C(CO)C1NCCC[NH2+]CC12CC2,0,GDB ChEMBL
383795,CN(C)c1c(F)ncnc1C1CCC[NH2+]1,0,GDB ChEMBL
44562,Cc1nc(N)nc(C[NH3+])cnc(O)nc1N,0,GDB ChEMBL
34708,Cc1cccc2c1C1CCCCCC2C1C,1,GDB ChEMBL
292569,NC(=NC1(CO)CCC([NH3+])CNC1)NC=O,0,GDB ChEMBL
294248,COC1CCCC(C(=O)N(C)C(C)C)C1,1,GDB ChEMBL
6156,CC(=O)c1c(Br)cnc2cn(C)nc12,1,GDB ChEMBL
186608,CC(=O)OC(C)CN=C1C(C#N)CN1C,0,GDB ChEMBL
280695,C#CCCc1c(Cl)cccc1C1CC1CC,1,GDB ChEMBL
372231,CC12C(O)C1CCC[NH2+]C1CC[NH+]2C1,0,GDB ChEMBL
334746,CC1CCC1([NH3+])CC(O)C(=O)[O-],0,GDB ChEMBL
21871,C[NH2+]CC1=CC[NH2+]C(C)C(O)C1,0,GDB ChEMBL
333922,N#CCC([NH3+])C1(CC[NH3+])CCC(C(=O)[O-])CC1,0,GDB ChEMBL
152568,COCC1[NH+]=C(N)CC1O,0,GDB ChEMBL
98870,CCC[NH2+]C1(CC#N)CCCN(C(=O)C#N)C1,0,GDB ChEMBL
95162,CNC(C[NH3+])c1cscc1OC,1,GDB ChEMBL
218347,CC1NC(=O)C([NH3+])C1C(O)(CO)C(N)=O,0,GDB ChEMBL
162898,N#CC1(C=O)CCN(C(C(=O)[O-])C(=O)[O-])C1,0,GDB ChEMBL
97747,NC1C(O)C12CC1CCCCC1[NH2+]2,0,GDB ChEMBL
174684,CC(C#CC1CC(O)CC1OC(N)=O)C[NH3+],0,GDB ChEMBL
254944,CN=C1CNCC(O)C(CO)O1,0,GDB ChEMBL
85649,CNC(=O)COC(C=O)CC(C)O,1,GDB ChEMBL
225822,C[NH2+]C(C1CCC1)C(CC=O)CS(N)(=O)=O,0,GDB ChEMBL
300106,Cc1cc(C2C(C)CCC2(C)C)c(F)cc1F,1,GDB ChEMBL
277915,NC1=[NH+]C2CC(O)C([NH3+])CC2N1,0,GDB ChEMBL
40321,C#CC1(C2CC=CC[NH2+]2)OC1C(CO)OC,0,GDB ChEMBL
2082,CCCC(C)C1(C)CCC(C)C1C1CC1,0,GDB ChEMBL
47568,C#CC1CC2CC[NH2+]C1C(C)COC2,0,GDB ChEMBL
144567,C[NH2+]C1CN(C)C(=[NH+]CCC#N)C1(C)O,0,GDB ChEMBL
307883,CCNC(=O)N1CC=C(C[NH3+])C1(C)C,0,GDB ChEMBL
95562,CC1(CC#N)C(=O)[N-]C2C(O)C21[NH3+],0,GDB ChEMBL
30374,[NH3+]CCC1NS(=O)(=O)C23CC2[NH2+]C(C(=O)[O-])C13,0,GDB ChEMBL
125583,O=C([O-])C12CCC(O)C3NS(=O)(=O)C1C32O,0,GDB ChEMBL
277904,CNC1=[NH+]C(C)C(C)C([NH3+])CC(CO)N1,0,GDB ChEMBL
41338,C[NH+]=C(N)NC(C(=O)[O-])C1(C(N)=O)CO1,0,GDB ChEMBL
330146,CC1=CCN(C(C=O)C(C)C)CC(=NO)C1,1,GDB ChEMBL
300486,CCC(C)C1C(CC)CCC(C)C1CC(C)C,0,GDB ChEMBL
160026,[NH3+]CC(O)CC1(O)CS(=O)(=O)[N-]C1=O,0,GDB ChEMBL
51817,CCCCC(CC)C1(C)C(C)C1(C)C,0,GDB ChEMBL
37172,NC(=[NH2+])c1cc(OCC[NH3+])nn1C(N)=O,0,GDB ChEMBL
230750,CC1=CC(=O)[C-](C(=O)C(C)C)CC=CC1,0,GDB ChEMBL
338152,CC(=O)NC(=C(C[NH3+])CO)C1CC1,0,GDB ChEMBL
260119,CCc1cccnc1OC(C=O)CC,1,GDB ChEMBL
79395,CCCC1[NH2+]CC2CC3(O)CC([NH3+])CC3CC21,0,GDB ChEMBL
21583,CCC1(CC(CO)CO)COC(C)CC(O)C1,0,GDB ChEMBL
221165,Cc1c(CC2(C)CC2)ccc(C(C)C)c1F,1,GDB ChEMBL
142965,OCC1CCC2CCCC3[NH2+]CC1C23,0,GDB ChEMBL
177248,C[NH+](C)CCOC(=O)C1(O)CC1(C)C[NH3+],0,GDB ChEMBL
159682,CCC1CCC[NH+]2CC1C1C(NC)C12,0,GDB ChEMBL
62811,CCC(C)(C)C(OC(C)C(C)(C)C)C1CC1,1,GDB ChEMBL
251011,[NH2+]=C(NCCC(=O)[O-])n1ncnn1,0,GDB ChEMBL
312200,CNC(C(N)=O)c1cc(C(N)=O)no1,1,GDB ChEMBL
311022,CC(=O)C(C)COCCCC=O,1,GDB ChEMBL
210772,C#CCCCC(C)(C(C)C)C(C)(C)CC(C)C,0,GDB ChEMBL
300905,Cc1ncnc(CNC(N)=O)c1Cl,1,GDB ChEMBL
371693,Clc1cnc2c3c(coc13)C1CC1CO2,0,GDB ChEMBL
259143,N#CC(C(=O)NCCO)C1CC1O,0,GDB ChEMBL
325279,C#CCC1[NH2+]C(CO)CCC1CCC,0,GDB ChEMBL
115261,CC1CCCC2CCC(C(C)(C)C)C12,1,GDB ChEMBL
142905,CCC([NH3+])C1C(C(C)CO)C(C[NH3+])N1C,0,GDB ChEMBL
372077,C[NH2+]Cc1cocc1OC,0,GDB ChEMBL
190282,CN(CCO)C(=O)C(=O)C(=O)CO,1,GDB ChEMBL
341848,CCCC([NH3+])(CCC)CCC(C)C(C)(C)C,0,GDB ChEMBL
221947,CCCCC(=O)Nc1nc(O)c(N)o1,1,GDB ChEMBL
318401,C=C(C)C1CC(C(=C)C)C(C)C1C,1,GDB ChEMBL
163908,C#CCOc1cc(C)cccc(N)sc(=O)c1,0,GDB ChEMBL
112878,CCN(C=[NH+]CC(=O)[O-])C1CN(C)C1,1,GDB ChEMBL
9969,CCC(C)(O)C1CC2(C)CC1(C)C[NH2+]2,0,GDB ChEMBL
372228,C#CC1C(C)C2NCC(C1O)[NH+](C)C2CO,0,GDB ChEMBL
393954,CC1CC([NH3+])C=C(CC(O)CCO)C[NH2+]1,0,GDB ChEMBL
310773,CCOC1CCN(CC[NH3+])c2ncnc(C)c21,0,GDB ChEMBL
212578,CCCC12C3CC[NH2+]C1C2CCC3C,0,GDB ChEMBL
380336,Cc1cccc2c1CC1=C2CC(C)C=CC1,0,GDB ChEMBL
332431,CC([NH3+])C(OCCCO)C(=O)[O-],1,GDB ChEMBL
149977,C[NH+]1CC2(CC#CCCCCCC=CC2)C1,0,GDB ChEMBL
101030,Cc1nc(CC2C[NH2+]C(C)C(O)CCO2)co1,0,GDB ChEMBL
382517,N#CC(CC[NH3+])C1CO1,0,GDB ChEMBL
194418,CC(C)N1C(=O)N(C)C(C#N)CC1(C)C,0,GDB ChEMBL
26972,CC1CCC2CN(C)C(=[NH+]2)NC(N)=[NH+]1,0,GDB ChEMBL
319779,CC1CC([NH3+])C(CO)C1OC1COC(=O)C1O,0,GDB ChEMBL
103448,COCC1C2CCC(C)C1C(C)(C)CO2,0,GDB ChEMBL
70977,CC(C)C(=O)C1CC2(C)CC(O)C1C2[NH+](C)C,0,GDB ChEMBL
296059,CC[NH+](C)C1C(C)C2OCC1(C)C=C2C,0,GDB ChEMBL
84242,[NH3+]C1CCC=CC1N1CC2CCC([NH2+]2)C1=O,0,GDB ChEMBL
222176,NC(=O)Cc1sncc1C1CCCCCC1O,0,GDB ChEMBL
160354,CCC(CC)CCC1CNC(C#N)=N1,1,GDB ChEMBL
105130,CC1Cc2cc(F)c(F)cc2CC(C)(C)C1,1,GDB ChEMBL
148564,CC1C=CC(O)CC(C(C)(C)C)C2CC12,0,GDB ChEMBL
255979,N#Cc1coc(=O)cc1OCC([NH3+])C(N)C[NH3+],0,GDB ChEMBL
363204,C#CC(C#C)CC1CCCC[NH+]1C(C)(C)C,0,GDB ChEMBL
4902,CC12CCCCCC3C([NH2+]CC1)C32,0,GDB ChEMBL
300568,C#CC1C2CC(O2)C(=O)N(CCCO)C1C,0,GDB ChEMBL
206795,CCCCCC1C(C)CCC(C)(C)C1[NH3+],0,GDB ChEMBL
95621,COC(=O)Nc1nc(NCCO)n[nH]1,1,GDB ChEMBL
171304,CCc1cnc(NC(=O)CN=C(N)OC)n1C,1,GDB ChEMBL
84231,Cn1nc(N)c(N)c1OCc1nc(C#N)c[nH]1,1,GDB ChEMBL
122991,COC(=O)C1CC(O)CC2C=CS(=O)(=O)N21,0,GDB ChEMBL
190228,CC1CC(C)(CC#N)C2CC(O)CC12CC[NH3+],0,GDB ChEMBL
221362,CCc1c(Br)cc(N)nc1C,1,GDB ChEMBL
171878,Cc1cc(C2=[NH+]CCN2)c(I)nc1OCC#N,0,GDB ChEMBL
377762,CN(C=N)C(=O)OCC(O)C([NH3+])CCO,1,GDB ChEMBL
203254,CNc1nc(=O)[nH]c(OC(C)(C)C(N)=O)c1C,1,GDB ChEMBL
1096,CC1(C)COC(C[NH3+])(C(=O)[O-])C1,0,GDB ChEMBL
281220,CC1NC(C#N)C1NC(=O)N(C)C,0,GDB ChEMBL
337105,C1CCOC2CC3CC3CC2CC1,1,GDB ChEMBL
248854,Oc1nc2c(c(Br)c1N1CCC1)CC[NH2+]C2,0,GDB ChEMBL
275641,CC1=CCC2c3cc(C)cc(Cl)c3CC2C1,0,GDB ChEMBL
380365,CC1OC(=O)C2CC2C1OS(N)(=O)=O,1,GDB ChEMBL
119824,CC(CO)NC(=[NH2+])n1cc(CC[NH3+])nn1,0,GDB ChEMBL
366714,CCOCC1=CC=CC[NH2+]C1CCO,0,GDB ChEMBL
186686,C#CCC12CCOC1C(CC)[NH2+]CC[NH+](C)C2,0,GDB ChEMBL
60613,CC12CNC(=[NH2+])C1CC([NH3+])CCO2,0,GDB ChEMBL
16009,O=C1CC2C[NH2+]C(C2)C2(CO2)CS(=O)(=O)[N-]1,0,GDB ChEMBL
118113,CCC(C)C1C2OC(CO)CC2[NH+]1C,0,GDB ChEMBL
302280,CC#CCCc1ccc(C)c(COC)c1,1,GDB ChEMBL
255984,C=CCC1C=CC([NH2+]CC#CC)C1,0,GDB ChEMBL
79247,[NH3+]C1C2COC(CO)C1OC(=O)N2,0,GDB ChEMBL
195260,CC1CC2CCCC(C2)CC(C(F)(F)F)C1,0,GDB ChEMBL
43908,CC(C#CCC1CC1)[NH+]1CCC1,0,GDB ChEMBL
204524,C=CC(C(C)=CC(=O)CC)C(C)C,1,GDB ChEMBL
70154,CC1(C#N)NC(=N)OC1C1CC1,0,GDB ChEMBL
363271,C#Cc1c(CNC(N)=O)n[nH]c1C[NH2+]C,0,GDB ChEMBL
227891,CNc1ncnn1CC(=[NH2+])NCCO,0,GDB ChEMBL
84243,COCC(=O)N1CC2=C(COC2)C1,1,GDB ChEMBL
124879,CCOC1CC2(C)CCC1C2(C)C,1,GDB ChEMBL
111513,CCC(C(C=O)C(C)=NO)n1cncc1C,0,GDB ChEMBL
315199,NC(=O)C1NCCOC(C[NH3+])C2(O)COC12,0,GDB ChEMBL
29940,N#CC(C=O)NC(C(N)=O)C1CO1,1,GDB ChEMBL
26847,C[NH+]=C(N)CC1OC(C)(C)CC[NH2+]C1C(C)O,0,GDB ChEMBL
275524,CNC(C#N)CCC1=[NH+]CC(C)C(=O)CN1,0,GDB ChEMBL
232108,Clc1ccc2c(c1)C1=C(CC[NH2+]CC1)CC2,0,GDB ChEMBL
195331,CC(C)C1(C)CCCCC2CC(CC2C[NH3+])C1,0,GDB ChEMBL
173687,CCCC(C=O)C(CCC)[NH2+]C,0,GDB ChEMBL
16530,COCCn1cnc(C(N)C(O)C#N)c1N,0,GDB ChEMBL
394292,Cn1ccc2c(O)c(NC=O)cnc21,1,GDB ChEMBL
29934,CCNc1cc(C)c(Br)cc1CN1CCC1,1,GDB ChEMBL
203130,CC(=O)CCN(C)c1nc(=O)cco1,0,GDB ChEMBL
146063,C[NH2+]CC1C(C)C(C2CC2C)C[NH+]1C,0,GDB ChEMBL
279281,CCOCCCOCC1([NH3+])CC1,0,GDB ChEMBL
354151,CC(=O)OC(C)C1C([NH3+])COC(=O)N1C(=N)N,0,GDB ChEMBL
308236,CC(C)(C)c1ccc(CCC[NH3+])nc1F,0,GDB ChEMBL
89316,CCC1C=C(C)C(C(C)[NH3+])C(C(C)C)C1,0,GDB ChEMBL
195406,CCC(O)C1(C)N=C(N(C)C(N)=[NH2+])OCC1=O,0,GDB ChEMBL
385918,CC1OCC2C(NCC#N)C12,0,GDB ChEMBL
274245,O=S(=O)([O-])CC1[NH2+]CC1CCO,0,GDB ChEMBL
203506,NC(=O)C12C[NH2+]C3CC1C2C3O,0,GDB ChEMBL
343953,CC1NC12C[NH2+]C(C(O)CCC(N)=O)C2,0,GDB ChEMBL
308295,CCC1C2CC=C(CCC[NH3+])C(CC2)C1C,0,GDB ChEMBL
375117,Cc1cccc(N)sc(CC[NH3+])nc(=O)c1C,0,GDB ChEMBL
132476,C[NH2+]CC1CCCC1c1ccc(I)cc1C[NH3+],0,GDB ChEMBL
147436,Cc1cc(C)c(CC2(C)CC2)c(=O)[nH]1,1,GDB ChEMBL
194763,COCC(C)C(O)C(C)(C(C)=O)C(=O)C(C)C,0,GDB ChEMBL
310996,CCCOC(C(O)C(O)C1CO1)C(C)(C)C,1,GDB ChEMBL
262239,CC(CCO)[NH2+]C1CC1N,0,GDB ChEMBL
38606,CCCCC1CNC1=O,1,GDB ChEMBL
181553,N#CCC1CC2COC(O2)C(O)C[NH2+]1,0,GDB ChEMBL
256194,Cn1nc2cccnc2c1Cn1cccn1,1,GDB ChEMBL
29589,CCOC(C)C(C=O)C1(C)CCC1[NH2+]C,0,GDB ChEMBL
122959,CCCC1CC2CC1(C)C1CCCCC21O,0,GDB ChEMBL
5310,CC1COC2C(=O)NC3CNS(=O)(=O)C32C1,0,GDB ChEMBL
271011,CC1C2C=CC(O)C2[NH+](C)C1CO,0,GDB ChEMBL
163855,COCC(=O)C(O)CC(N)=O,1,GDB ChEMBL
112515,C#CCC(=O)C(OC)c1ccc(OC)cc1Br,1,GDB ChEMBL
304052,CCC(=O)c1c(O)cnc(N)c1NC(C)CC,1,GDB ChEMBL
16537,N#CC1(N)C(O)CC(C[NH3+])C12COC2,0,GDB ChEMBL
58521,C#CC1(OC)CC[NH2+]C2CCCC21,0,GDB ChEMBL
9709,CCC12C3CCCC1C(C)(C)CC(=O)N32,0,GDB ChEMBL
246395,CCOC1C(CC(C)O)C(O)CN2CC12,0,GDB ChEMBL
87665,CC(O)C1COC(C(=N)NCCNC(N)=[NH2+])O1,0,GDB ChEMBL
351341,O=C([O-])CC1CC2C(O)C2[NH2+]1,0,GDB ChEMBL
120738,Cn1c(C(N)=O)c(O)c2[nH]cnc21,1,GDB ChEMBL
259649,CC(O)CCC1C(=O)NCC(O)C1C(O)C#N,0,GDB ChEMBL
262255,CC12CC[NH2+]CC1C2[NH3+],0,GDB ChEMBL
109596,COCC(C)[NH+]1CC2C=CC3=CCC(C1)C32,0,GDB ChEMBL
318775,N#CC(=NC1CC1)NCCC[NH3+],0,GDB ChEMBL
222572,C#CC(C)(C)N1CC([NH3+])C(N)(CCO)C1=O,0,GDB ChEMBL
248251,CCC([NH3+])CC(O)C1CC2CC(C)(C2)C1,0,GDB ChEMBL
50897,CCCCC1C(C)C=C(C)CC1C,1,GDB ChEMBL
249505,CC1(C=O)CCN1c1ncc(F)cn1,1,GDB ChEMBL
165975,Cc1sc([O-])c(C[NH2+]CCCC#N)c1C,0,GDB ChEMBL
325894,CC1CC(C)C(C)(C2(C)CCCCCC2C)C1,0,GDB ChEMBL
288486,CC1(C#N)C(=O)C2NCCCC(CO)NC21,0,GDB ChEMBL
142557,O=C1OCC2CC3(CO3)CN12,1,GDB ChEMBL
21508,C#CC(C)C(C)(C)Oc1ccc(I)c(C)c1,1,GDB ChEMBL
34444,CC1NC(CO)C([NH3+])COC1C1=[NH+]CCN1C,0,GDB ChEMBL
217159,COC1(COCCC(C)C)CC(C)=C(C)C1,0,GDB ChEMBL
343994,N=C(NC(C=O)C(=O)NC=O)OCCO,1,GDB ChEMBL
277119,C#CC(=O)C(C)Cc1c(F)cccc1C(C)C,1,GDB ChEMBL
46930,NC(=O)NC1C(=[NH2+])NCC(=O)C(C(N)=O)C1O,0,GDB ChEMBL
235243,CCC(NC)C(C#N)NCC(=O)OC,1,GDB ChEMBL
383692,CCCC(C)CCCc1cc(Br)c(C)cc1C,1,GDB ChEMBL
114408,CC[NH+]1CCC(OC)C(COC)(C(C)CO)C1,0,GDB ChEMBL
118883,NC=[NH+]CCNc1cnc(Cl)cc1C(N)=O,1,GDB ChEMBL
180961,CCNc1nc(=O)sc2nccc(F)c12,1,GDB ChEMBL
362969,CCn1c(N)c(S(N)(=O)=O)c(C)nc1=O,1,GDB ChEMBL
201461,CCC1CC2(C)CC(C)(C)[NH2+]C1CCC2CC,0,GDB ChEMBL
334389,C[NH2+]C1CC(=O)NC(S(N)(=O)=O)C1O,0,GDB ChEMBL
172738,CCC12CC=C(C)CC([NH2+]C1)C(C)C2,0,GDB ChEMBL
190325,O=C1C=CN2C(=O)CCOCCC2C1,0,GDB ChEMBL
194751,CC1CC(=O)C=C(C(C)(C)CCO)N1,0,GDB ChEMBL
53304,CCC1CC2CCCC3CC3CC1C(C)C2,0,GDB ChEMBL
215258,C#CCC1OC(=O)N(CC)C=NC1CCOC,0,GDB ChEMBL
26454,CCC1(O)C=CC(NC(C)=O)C1,1,GDB ChEMBL
230456,CC1([NH3+])CC=CCC([NH3+])C1,0,GDB ChEMBL
235633,CN(C)C(=O)NCC1CC2(CC2)CO1,1,GDB ChEMBL
26815,CCC1CCC2CCCCCC12CC(C)(C)O,0,GDB ChEMBL
31785,CC1CCCC=C2C3CCCCC(C3)C2C1,0,GDB ChEMBL
352848,N=C1OC(=O)N2C(C(=O)[O-])C12CCO,0,GDB ChEMBL
204432,CNC(=O)N1CC(C#N)NC1=N,1,GDB ChEMBL
126857,CCCC1CCC(C)OCC(C(C)C[NH2+]C)O1,0,GDB ChEMBL
314952,CC(C)(C)[NH+]1CCC1C[NH+]=C(N)N,0,GDB ChEMBL
191537,CCc1[nH]ccc1C1(C(C)C[NH3+])OC1CO,0,GDB ChEMBL
258006,C#Cc1cc(CCC)c(F)c(CC)c1C(C)C,1,GDB ChEMBL
372619,CCCCC(C)CC(C1CC1)C1CC1,0,GDB ChEMBL
106988,CCC1C(OC)C2CC=C(C)C3C1C23C#N,0,GDB ChEMBL
147978,NC(=O)CC([NH3+])(C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
61764,CC(CC=O)C[NH2+]C(C(N)=O)C(O)C=N[O-],0,GDB ChEMBL
372766,C#CC(C#N)CCC(=C)C(=O)CC,1,GDB ChEMBL
310297,CC12CC1[NH+]1CCOCCC2C1,0,GDB ChEMBL
184068,COC(C)C(=O)NC1C(C)C1O,1,GDB ChEMBL
196530,CC1C=CC2CCCCC(C)(C)C12,0,GDB ChEMBL
98573,NC(=O)C12COCC1[NH2+]C2CO,0,GDB ChEMBL
57299,CCCC1(C)CCC=CCO1,1,GDB ChEMBL
4898,CCCC1CC2CC(C)(CCC)CC2C1,0,GDB ChEMBL
263164,O=C([O-])CC1NS(=O)(=O)CC(O)C2OC12,0,GDB ChEMBL
193307,CC1CC2CCCCC(C)C(C(C)[NH3+])CC2C1,0,GDB ChEMBL
3993,CC(C[NH3+])n1ncc2c1COC(=O)C2,0,GDB ChEMBL
233430,CC1CC(OCC[NH+]=C(N)C(C)O)C[NH2+]1,0,GDB ChEMBL
166439,CCCc1c(Cl)cccc1C(C)([NH2+]C)C(C)C,0,GDB ChEMBL
233446,Nc1c(O)cc(Br)c(C(=O)NC=O)c1O,1,GDB ChEMBL
115055,N#CC1(O)C(O)CC(O)C(=O)NC1C[NH3+],0,GDB ChEMBL
1927,C#Cc1c(CC#N)cc(Br)c(C)c1C(C)(C)C,1,GDB ChEMBL
179145,COCC([NH3+])Cn1cccc1,0,GDB ChEMBL
249822,CCC(C)(CO)C(C)C1CC1,1,GDB ChEMBL
361028,CC1=CCC([NH3+])c2c(Br)ccc(C)c2C1,0,GDB ChEMBL
308733,Fc1cc(C2CCC2)cc2c1CCCC=C2,1,GDB ChEMBL
382987,Cc1c(Cl)cc(C(C)(C)C)c(C)c1C,1,GDB ChEMBL
25162,[NH3+]CC1COC(=O)NC2C(O)C2O1,0,GDB ChEMBL
86710,N#CCCOCC1=CCNC1=O,1,GDB ChEMBL
99666,CC1C(=O)NCC2(C)CCCC(C)[NH+]2C1C,0,GDB ChEMBL
59221,CN1CC(c2[nH]ncc2C(N)=[NH2+])C1,0,GDB ChEMBL
261180,NC(=O)C1CC2CCC(C1)C1C(=O)OCC1[NH2+]2,0,GDB ChEMBL
205779,CC(=CC(O)C(=O)[O-])N(C)C(N)=O,0,GDB ChEMBL
177151,COC12CC[NH2+]C1CCCC(C)[NH2+]C2,0,GDB ChEMBL
304161,CC#CC1C(C)(C)CCCC1(C)CC1CC1,0,GDB ChEMBL
337170,C#Cc1cc(N)c(C(N)=[NH2+])cc1O,0,GDB ChEMBL
315288,COC1C([NH3+])C2CCNC(=O)OC1C2[NH+](C)C,0,GDB ChEMBL
307464,N#CC(CO)C1CC(=O)CNC1=O,0,GDB ChEMBL
105955,O=CC1CC([NH+]2CCC=CCC2)C1,0,GDB ChEMBL
330808,C#CC(CC)(CCCO)N(C(N)=O)C(=O)NC,0,GDB ChEMBL
201406,CCC(=O)C(OC)C(O)S(N)(=O)=O,0,GDB ChEMBL
40431,CNC(=O)OC1C(O)C2CN2C1C,0,GDB ChEMBL
274850,C#CCC(C)C1CCC(C(C)(C)CC)CC1C,0,GDB ChEMBL
294233,CC(C)=CC1CCC1[NH2+]CC(C)C,0,GDB ChEMBL
330945,COC(C)C(C[NH3+])(C(N)=O)C(=O)OCC(N)=O,0,GDB ChEMBL
118465,CC(C#N)C1C=CC(=O)C1,1,GDB ChEMBL
70828,CC#CCC1CCOCC1C=O,1,GDB ChEMBL
284734,C#Cc1ncc(Br)c(CC)c1C,1,GDB ChEMBL
139840,CCc1cc(COC)n(C2(C)CN(C)C2)n1,0,GDB ChEMBL
184299,COCC1C2CC(C)C1CC2C,0,GDB ChEMBL
275572,CCCC12CC(CC)CC1(CCC)C2C,0,GDB ChEMBL
278146,C=C(C)C1CC1C(C)C(C)CCO,0,GDB ChEMBL
143130,CC1CN=C(OCCO)N1,1,GDB ChEMBL
59714,CC[NH+](C)CC1(OC)C2C(=O)C1(O)CN2C,0,GDB ChEMBL
214930,CCC12CC3CC(O)C(C3)C(C)(CCO1)C2,0,GDB ChEMBL
148877,N#CCCN=C(NCCO)C1CO1,0,GDB ChEMBL
340504,N#CC1CC=CCC1C#N,1,GDB ChEMBL
103450,C#CC1CC[NH2+]C2CC(C)=CCC12,0,GDB ChEMBL
256018,CC1(C[NH3+])CC[NH+]2CC1C2,0,GDB ChEMBL
194229,CC(C(N)=[NH+]CCO)C(N)C(=O)[O-],0,GDB ChEMBL
296371,COCCC1(CNCC#N)CC(C)([NH3+])C1,0,GDB ChEMBL
148925,CNC1C(C(=O)[O-])N(CCO)S1(=O)=O,0,GDB ChEMBL
277693,CC1CC[NH+]2CC(C)(C(F)(F)F)C1CC2C,0,GDB ChEMBL
221346,CC1=NC(C#N)(C(C)CC[NH3+])CO1,0,GDB ChEMBL
39736,CC1OC(=O)C(N)(CO)C1(C)C#N,0,GDB ChEMBL
142932,CC1CC2C[NH2+]CCC23C(CO)C13,0,GDB ChEMBL
303340,[NH3+]C1CC(O)C2CNC1CO2,0,GDB ChEMBL
128259,CC1CC[NH+]=C(NCC#N)N1,0,GDB ChEMBL
236602,CCC1OC12C(=O)CC(C)(O)C2[NH2+]C,0,GDB ChEMBL
151206,C#CC(CC[NH2+]C)OCC(C)=O,0,GDB ChEMBL
299189,Nc1cc(Br)c2ccoc2c1O,1,GDB ChEMBL
330129,CCC1C(O)C=CC12CO2,1,GDB ChEMBL
235234,CC1CC2C=C(C(=O)[O-])C(O)(C2)C(=O)O1,0,GDB ChEMBL
299574,C=CC(C)C1C=C(C)CCC(C)C1,0,GDB ChEMBL
41178,CC#CC1(CC(C)C)CCC2CC2CC1,1,GDB ChEMBL
136051,CC[NH2+]C(C)CC(=O)OC,1,GDB ChEMBL
198630,CCC1(CS(=O)(=O)[O-])C(=O)NCC1NC=O,0,GDB ChEMBL
151134,CC([NH3+])C1C(O)COC2(C(=O)[O-])CCC12,0,GDB ChEMBL
274917,[NH3+]C12CNC(=O)NC(C1)C(CS(=O)(=O)[O-])C2,0,GDB ChEMBL
9954,C#Cc1ccc2c(c1)C=CC1CCC1C=C2,1,GDB ChEMBL
174242,C#CCC(C#N)CCCO,1,GDB ChEMBL
315189,CCC1CCC2C(O)C2C[NH2+]1,0,GDB ChEMBL
292201,CC(N)=[NH+]CC[NH+]1CCCC(C)C(C)CC1C,0,GDB ChEMBL
391319,CC[NH2+]C1CCCC=CC1CC,0,GDB ChEMBL
315163,C#CCC(CCCO)CC1(OC)CCOCC1,0,GDB ChEMBL
212558,CC(=O)NCC1C(O)C(C(C)[NH3+])N1C,0,GDB ChEMBL
173884,CC([NH3+])C1NC(=O)CC(O)C1O,0,GDB ChEMBL
76966,C=CCc1ccc(C)c(C(C)[NH3+])c1,0,GDB ChEMBL
265536,CC(C)C#CCC(O)C(C)(C)C,1,GDB ChEMBL
382479,O=C([O-])CNS(=O)(=O)OC1COC1,0,GDB ChEMBL
187184,CCc1cnc(O)c(CC#N)c1C,1,GDB ChEMBL
346973,COCCC12CCC=CC1Cc1cccn12,0,GDB ChEMBL
95878,C[NH2+]CC#CC1CN1C(C)=O,0,GDB ChEMBL
249616,CCC1CC(C)C2(CCC(C)C[NH+]2C)C(C)C1,0,GDB ChEMBL
236668,CC1C=CC2CN2C(=O)C(C)C1,1,GDB ChEMBL
189753,CCCCC1(OC)C(=O)CC(O)C(C)C1CO,0,GDB ChEMBL
115552,CCC(C)CCCC1C2CC(C)[NH2+]C12,0,GDB ChEMBL
139841,CC(CO)=C(CO)C(=O)NCCO,1,GDB ChEMBL
165268,COCCC#CC(CO)C(N)C#N,0,GDB ChEMBL
230743,[NH3+]C1C[NH2+]CC2CCCCOC2C1,0,GDB ChEMBL
73834,COC1(C)CC(=O)NC1=C(C)CO,0,GDB ChEMBL
379835,COC1C(O)C1(C#N)NC(=[NH2+])NCC(C)[NH3+],0,GDB ChEMBL
27959,C1=CC2C[NH2+]CCCCC1[NH2+]2,0,GDB ChEMBL
261233,C#CCCC1OC2COCCC2C1CCC,0,GDB ChEMBL
12807,CC(=O)Oc1ccc(C)c(F)c1N,1,GDB ChEMBL
132823,C=CC1(C)C2C=CCCC1C(=O)C2,0,GDB ChEMBL
258331,C#CC(C(C)C)C(CC)CC,1,GDB ChEMBL
175723,C[NH2+]C1C2CN(C)C1C(C#N)C2C,0,GDB ChEMBL
11378,CC12COC(CC[NH3+])C1O2,0,GDB ChEMBL
81441,CC(CO)OC1=NC(C(C)O)CN1,1,GDB ChEMBL
132452,CC(=O)NC1CC1C(C)C,1,GDB ChEMBL
252085,CCNc1sc(C[NH+](C)C)c(CC(C)C)c1C,0,GDB ChEMBL
357611,CCCC1C(C)C(C)CCCC12CCCCC2,0,GDB ChEMBL
81519,CCC(C(C)O)C(C(=O)[O-])C(O)C(O)C[NH3+],0,GDB ChEMBL
391751,CN=C1OC(=O)C2(CC(O)CN2)[C-]1C#N,0,GDB ChEMBL
296087,C#CCC(CCC)C1C(CC#N)C1(C)C,0,GDB ChEMBL
249530,COC1C(CO)NC(=O)C1(O)C(C=O)C(N)=[NH2+],0,GDB ChEMBL
300965,C#CC(N(C)CC(=[NH2+])NC)C1(C(N)=O)CC1,0,GDB ChEMBL
231121,CC1CC(O)C([NH3+])C(C(N)=O)N1C(C)(C)C[NH3+],0,GDB ChEMBL
221710,CCC1CC(C(=O)[O-])C2[NH2+]C3COCC3C12,0,GDB ChEMBL
318122,C1C[NH+]2CC3(C[NH2+]1)CC2C3,0,GDB ChEMBL
170303,CC1CCC2(O1)C1CCCC1[NH+]1CCCCC12,0,GDB ChEMBL
335512,CCOC1CC2C[NH2+]C3CC2CC31,0,GDB ChEMBL
115987,COCC1(O)C(O)CCC(CCO)C1C,0,GDB ChEMBL
127508,CC#CC(CCC)OCCO,1,GDB ChEMBL
155833,CC1=CC2(C)CCCC2CC1CC(C)C,0,GDB ChEMBL
163903,CN1CC2(CO2)C(N)=C(CC(C)(C)O)C1=O,0,GDB ChEMBL
195522,CC([NH3+])CCC1(O)COC1,0,GDB ChEMBL
649,[NH3+]C1C2C(=O)OC3CC(CO)NC312,0,GDB ChEMBL
306265,CC(C)(C)CCC#CC1CCCC(O)C1,1,GDB ChEMBL
21542,[NH3+]CCC1C([NH3+])C1C1OCCC1O,0,GDB ChEMBL
353969,CCc1cc2c(I)ccc(OC)c2cc1I,1,GDB ChEMBL
180987,Cc1cccc2cncc(Cl)n2cc(CO)c1,0,GDB ChEMBL
39720,CCOC(=O)NCCNC(=O)NC,1,GDB ChEMBL
170271,CC1CC[NH2+]C2C(=O)N3C(C)C3C12,0,GDB ChEMBL
99120,C#CC1=CC(C)(C(C)CCC)C(C)C1,0,GDB ChEMBL
48186,Cc1nc2c(=N)c(C#N)noc2cc1C(=O)[O-],0,GDB ChEMBL
227935,CCC(CC)NC1(C#N)CC1O,1,GDB ChEMBL
312850,Cc1c[n-]c2nc3c(ncn3C(C)C)c-2n1,0,GDB ChEMBL
215679,OCC1CCC2C[NH2+]CC(O)C=C1C2,0,GDB ChEMBL
248899,C#CCCC1(C)CCC(C[NH3+])(CCC(C)C)C1,0,GDB ChEMBL
197468,COc1nnc(NCC([NH3+])C2(O)CC2)s1,1,GDB ChEMBL
147870,CCC12CC=CC(C3CC3)C(CCCC1)C2,0,GDB ChEMBL
128257,CC1=CCOC(C)C([NH3+])CC=C1,0,GDB ChEMBL
136147,CC1=Cn2c(cc(C(F)(F)F)c2C)NC1,0,GDB ChEMBL
309211,CCNC(=O)c1nc(N)c(N)c(=N)[nH]1,1,GDB ChEMBL
121527,CC(C)OC(=O)NCC1(C=O)NC1C(N)=O,0,GDB ChEMBL
375455,COC(=O)C1C2C(NS1(=O)=O)C2C(=O)[O-],0,GDB ChEMBL
385485,C[NH+]1CCC2CC3OC3C1CC2CO,0,GDB ChEMBL
103539,Cc1cc(C)c(C#N)c(CC#CCO)n1,0,GDB ChEMBL
337984,CC1CC(C)C(C(C)CC(C)C(C)C)[NH2+]1,0,GDB ChEMBL
165201,CC(C)C1(O)CC[NH2+]C2COC1C2,0,GDB ChEMBL
39771,CCC1C(C)C2CC=C(C)C1C([NH3+])CC2O,0,GDB ChEMBL
215856,C#CC(C#C)(CCC)CC(CCCC)C(C)=O,0,GDB ChEMBL
40225,CCOc1ccnc(I)c1C(C)(C[NH2+]C)NC,0,GDB ChEMBL
193782,[NH3+]CCNC(=O)OC1OCC(O)C1[NH3+],1,GDB ChEMBL
342584,CCOC(=O)C1NCCC(CO)(OC)CC1[NH3+],0,GDB ChEMBL
81049,CNC(=[NH2+])N(C)C(C(N)=O)C(=O)[O-],0,GDB ChEMBL
136427,CC(C)C[NH+](C)CC1(C)CCC(CC=O)CO1,0,GDB ChEMBL
304119,CC1C(C(C)(C)C)C2CCC1(C)C[NH+]2C,0,GDB ChEMBL
204350,CC1(C)Cc2cc([O-])c(Cl)cc2C1=O,0,GDB ChEMBL
296990,C[NH2+]Cc1cnc(OCC(C)(C)[NH3+])c(C)c1Br,0,GDB ChEMBL
54834,CC1=CC2(C[NH+](C)C)OC(C)CC2C1,0,GDB ChEMBL
9871,CCC1C(C)C(CCO)C1CCC(C)O,0,GDB ChEMBL
76816,COC1C(CO)C(=N)N2C(C(N)=O)C12C,0,GDB ChEMBL
374323,CCC1(C)NC(=O)OCC2C(O)C21,0,GDB ChEMBL
203527,CC1CC2C[NH2+]C2C1C(C)(C)C,0,GDB ChEMBL
74303,CC1CC(OCc2sc(O)nc2O)C[NH2+]1,0,GDB ChEMBL
104961,N=C1NCCC#CCC(=O)N1,1,GDB ChEMBL
16024,C#CC1([NH3+])CC(N(CC)CC[NH3+])C1,0,GDB ChEMBL
57271,Cc1ccn(C2CCC2)c1,1,GDB ChEMBL
180034,CCC1C(O)C(OC)CCN1S(=O)(=O)CN,1,GDB ChEMBL
202002,CCCC1C(C(C)CC[NH3+])C1(C)C(C)C,0,GDB ChEMBL
362985,CNC(CCC[NH2+]CCCCC=O)C(=O)OC,0,GDB ChEMBL
375734,CCCCN1CCOCCCC1=[NH2+],0,GDB ChEMBL
358450,Nc1ncc2sc(S(N)(=O)=O)cc2n1,1,GDB ChEMBL
282199,CC(O)C1C2CC(C)C1C(C)C2,0,GDB ChEMBL
161036,CC1c2cccc(F)c2NC2CC1C2,1,GDB ChEMBL
256136,[NH3+]C1C(C(=O)[O-])CCC12CC[NH2+]2,0,GDB ChEMBL
239379,Cc1cc2c(cn1)CC(C)(C)C1CC21C,0,GDB ChEMBL
259112,CCc1cc(C(=O)NCC=O)c(N)c(N)c1N,0,GDB ChEMBL
18385,CC(C)OCCC(OCC1CC1)C(=O)[O-],1,GDB ChEMBL
304429,CC([NH3+])C(C)(COS(N)(=O)=O)C(C#N)CO,0,GDB ChEMBL
104459,CCOCCCC(C=O)CC,1,GDB ChEMBL
201668,CC[NH2+]C1(C)CC=CCC=CC(C)(C)C1,0,GDB ChEMBL
289790,CCC1[NH2+]C2CCC3C(NC2=O)C13,0,GDB ChEMBL
196514,C#CCCc1cc(C(C)(C)C)cc(F)c1CC,1,GDB ChEMBL
332676,CCc1cc(OC)ncccccc1C[NH2+]C,0,GDB ChEMBL
34388,C[NH2+]C1C2C3CC(O)C([NH3+])CN3S(=O)(=O)C12,0,GDB ChEMBL
61320,[NH3+]Cc1nc(NC(=O)CO)sc1C1OCCO1,0,GDB ChEMBL
6017,C[NH2+]C1C(=NO)C=CC1CCC(C)=O,0,GDB ChEMBL
115159,CCCC1CC(C)C2CCC1(C)C(C)C2CC,0,GDB ChEMBL
309662,CCC#CC1(C)CCc2ccccc21,1,GDB ChEMBL
261195,NC1C([NH3+])C12C(=O)OC(CO)C21CC1,0,GDB ChEMBL
118158,CC(C[NH+](C)CCC#N)CC1(C)COC1,0,GDB ChEMBL
78607,CC1C[NH2+]CC1(CC#N)CN(C)C(C)(C)C[NH3+],0,GDB ChEMBL
333666,CS(=O)(=O)[N-]C(=O)NC(=O)N1CC1,0,GDB ChEMBL
39950,CC1(C)C(C=O)[NH2+]CC2COCC21,0,GDB ChEMBL
279259,CC1(O)CC2OC(C[NH2+]CC2C=O)C1O,0,GDB ChEMBL
22025,CN1CC(=O)OCC(=[NH2+])NCC(O)(C=O)C1,0,GDB ChEMBL
83527,CC([NH2+]CCN)(C(=O)[O-])C1CO1,1,GDB ChEMBL
280882,C#CC(CC)C(=O)C(C=N[O-])C(=O)OCC,0,GDB ChEMBL
99637,CN1C(=O)CC2(O)CC(C)(CO)C12,0,GDB ChEMBL
168439,C[NH2+]C1CC(C2CCC3CCCC2C3C)C1,0,GDB ChEMBL
135408,CC[NH2+]CCC1(C)CCC2C(C)C2C1,0,GDB ChEMBL
170275,CC#CCNc1ccnc(F)n1,1,GDB ChEMBL
71320,CC(CC[NH3+])C(F)(F)F,1,GDB ChEMBL
177836,COC(C(=O)[O-])c1cc(C(=O)N2CC2)cs1,1,GDB ChEMBL
207388,C#Cc1c(CC)ccccncn1C,0,GDB ChEMBL
124574,CCC(OCCO)C1(O)CN(C=O)C1,1,GDB ChEMBL
337811,CC1(C)C=CC=CCCCNC(=O)O1,1,GDB ChEMBL
382519,CCC1CCN1C(=O)COC=O,1,GDB ChEMBL
129564,C1=CC2(CCCCOCC1)CC2,1,GDB ChEMBL
248266,CC(C)C(C[NH3+])C1CCC(C2CCC2)CC1,0,GDB ChEMBL
366563,CNC(=O)CNC(N)=[NH+]c1nc(C)nn1C,0,GDB ChEMBL
103417,C[NH+]1CC12CCCCC2C(N)=O,0,GDB ChEMBL
703,[NH3+]CC1(O)CC2OC2C1,1,GDB ChEMBL
21515,[NH3+]CC(=O)NC1C(C[NH3+])OCC(O)C2OC12,0,GDB ChEMBL
275665,CC1=CCOCCC(C[NH+](C)C)=CC1,0,GDB ChEMBL
344326,C#CC(C)Oc1c(C)c(Cl)cc2[nH]c(C)cc12,1,GDB ChEMBL
40363,CNc1cc(C)c(OCC#N)cc1F,1,GDB ChEMBL
112888,NS(=O)(=O)CC1C[NH2+]CCC(C[NH3+])O1,0,GDB ChEMBL
148890,CC1CN2CC(C2)[NH+]1C,0,GDB ChEMBL
278896,NS(=O)(=O)CC1(C[NH3+])NC(=O)C=C1CO,0,GDB ChEMBL
175554,C[NH2+]CC(N)C1(C)C(=O)NC2CC1C2,0,GDB ChEMBL
107863,Cc1onc(C[NH3+])c1C(N)C(N)=O,0,GDB ChEMBL
280710,CC[NH2+]C1CC2=NC1[C-](C#N)C(=O)CCCO2,0,GDB ChEMBL
18380,COC(=O)C1CC2(CN2)C1,0,GDB ChEMBL
16484,C#CCC(C#CC)[NH2+]C1CC1,0,GDB ChEMBL
332471,CCC1CCC(C)(C)C[NH2+]CC2CC[NH+]12,0,GDB ChEMBL
67640,NC1C2OCC[NH2+]C(C(=O)[O-])C12N,0,GDB ChEMBL
151687,CC(C)(CCC[NH3+])CCCCCCC(F)(F)F,0,GDB ChEMBL
376709,C#CCCc1cccc(CC)c1,1,GDB ChEMBL
48731,CC[NH2+]CC(O)S(=O)(=O)NC1CC[NH2+]CC1,0,GDB ChEMBL
366040,C[NH2+]C1CS(=O)(=O)N2C(CO)C2C1C(=O)[O-],0,GDB ChEMBL
398979,CNC1CN(C2CNC(=O)NC2)C(=O)C1=O,0,GDB ChEMBL
380314,COc1cnnn1CC(O)CO,1,GDB ChEMBL
258752,C[NH2+]CC1=CCCC(=O)N(CCCOC)C1,0,GDB ChEMBL
29679,CCCc1cc(O)c(C(C)C)n1CCC,0,GDB ChEMBL
338139,CCn1cc2c(n1)NC(=O)OC21C[NH2+]CC1N,0,GDB ChEMBL
161992,NC(=O)C([NH3+])CC(O)C1CC2=CCNC2=[NH+]1,0,GDB ChEMBL
95882,COCC1NC(=O)C2C1NS(=O)(=O)C2O,0,GDB ChEMBL
319823,O=C([O-])C12CCS(=O)(=O)N1CC2O,0,GDB ChEMBL
18851,N#CC1(N)C2C(CO)N2CC1(O)CC(=O)[O-],0,GDB ChEMBL
10979,[NH3+]CCNC(=O)N1CC(CO)(NC=O)C1,0,GDB ChEMBL
139824,CCCC#CC#Cc1c(C)cccc1F,1,GDB ChEMBL
81020,C#CCCC1CCC2CCC(CCC(C)C2)C1,0,GDB ChEMBL
384829,C[NH2+]CC1OC2CC(C(C)CCO)C(O1)C2O,0,GDB ChEMBL
273651,CN1CCC2C([NH3+])CC(O)C3OC3C2C1=O,0,GDB ChEMBL
17480,CCCC[NH+](CCCC)CC(C)(CCC)NC,0,GDB ChEMBL
259615,CCC1C[NH+]2CC1C1NCC(CO)C(=O)C12,0,GDB ChEMBL
389632,Nc1ccc(Cl)cc1C12C=CC(C1)[NH2+]2,0,GDB ChEMBL
247395,C#CCN(CC)C1=[NH+]C(C)(C)C(CC)C(C)N1,0,GDB ChEMBL
76975,C#Cc1ncc(N(CC(C)O)C(C)(C)C)cn1,0,GDB ChEMBL
262339,c1ccc(C2CC3NC32)cc1,0,GDB ChEMBL
203606,COC12CC(O)C([NH3+])C(CC1C(=O)[O-])O2,0,GDB ChEMBL
284271,CCC1C(C)OC(C)C2C=C(C)CC21,0,GDB ChEMBL
310806,CC1(O)C(=O)C(=O)NC1CC#N,0,GDB ChEMBL
342403,CC(CCO)CC1(C)CNC1=O,0,GDB ChEMBL
210442,CC1CC(CC=O)[NH2+]C1CO,1,GDB ChEMBL
40347,CC1C(=O)OC2C(O)CC(O)(C1O)C2O,0,GDB ChEMBL
300104,NC(=[NH2+])Nc1cc(O)c[nH]c1=O,0,GDB ChEMBL
122891,CC1CC(C(O)C2COC(=[NH2+])N2)CCC1C=O,0,GDB ChEMBL
120704,CCC(CO)C1C([NH2+]C)C1S(C)(=O)=O,0,GDB ChEMBL
239111,CCC1C2C3CCC(c4c(Br)cccc43)C12,0,GDB ChEMBL
372706,CC1C(O)CNC2C(=O)OCOC21,0,GDB ChEMBL
16047,CCNc1nc2n(n1)CCOC2CC(=O)[O-],0,GDB ChEMBL
259095,Cn1c(N)ccc(C#N)c1=O,1,GDB ChEMBL
22475,C#Cc1cc(Br)cc(C(C#C)CC(C)C)c1,0,GDB ChEMBL
363267,O=C(C1CC1)N1CC=CCC1,1,GDB ChEMBL
320777,CCOC1(C[NH+](C)C)C=C(C(=O)C#N)CC1,0,GDB ChEMBL
104955,CC[NH2+]CCC(C#N)(C=O)CCC[NH2+]C,0,GDB ChEMBL
229464,NC(=O)NCC1CC(=[NH2+])NC(N)=N1,0,GDB ChEMBL
358096,CCC(=O)[N-]S(=O)(=O)CN1CC(C)C1,0,GDB ChEMBL
137449,O=CN1C=CC(C(=O)[O-])C1C(=O)[O-],0,GDB ChEMBL
142912,C#CC(CC(C)C)c1ncc(Cl)cc1C,1,GDB ChEMBL
54782,CC([NH3+])CC(O)(CS(N)(=O)=O)C(C#N)NC=O,0,GDB ChEMBL
111498,CCCc1cnccc1COC,1,GDB ChEMBL
314933,CNCC1[NH2+]C(C)(C)CC1(C)C(=O)CO,0,GDB ChEMBL
336601,CCC1(C[NH2+]CCC2C=CC=CCC2)CC1,0,GDB ChEMBL
358142,CC12CC1CCCNC2C#N,0,GDB ChEMBL
362065,C[NH+]1CCC2OC2CC1,0,GDB ChEMBL
259455,c1cc2c(s1)CCCC2C1CC1,1,GDB ChEMBL
143528,CC(O)CCN(C=O)CC(=O)[O-],1,GDB ChEMBL
6553,CCC1=NC(CC(CC)NC(N)=O)CO1,1,GDB ChEMBL
47779,CCC1OC2OC1CNC2C#N,1,GDB ChEMBL
386524,CCC1(C)CC1c1c(C)nn(C)c1OC,0,GDB ChEMBL
16791,COCc1c(N)c(N)nn1C,1,GDB ChEMBL
353203,CCC(C(C)O)C1CCC1OC,1,GDB ChEMBL
161009,CC1=CCN(C)C(C)C1[NH2+]CC(=O)[O-],0,GDB ChEMBL
165640,[NH3+]CC1CC(O)C2(OC2C(=O)[O-])C1O,0,GDB ChEMBL
152497,[NH3+]CC1CC2=CC[NH2+]CCC1OC2,0,GDB ChEMBL
296999,C#CC1(C(C)C)CCOC1,1,GDB ChEMBL
165668,CC[NH2+]C1(CO)C=CCC(C)=CCC1,0,GDB ChEMBL
50243,CCn1nnc(C(CC[NH3+])(CC[NH3+])CCO)n1,0,GDB ChEMBL
103411,C#CC(C)OC1CC(C(=O)[O-])OC(CO)C1O,0,GDB ChEMBL
58499,COCC1CC(C)CCC([NH3+])C2(O)CC12,0,GDB ChEMBL
346879,CC(C(=O)[O-])C12CC(=O)C(O1)C(O)C2C,0,GDB ChEMBL
136021,OC1CC23CC4CC[NH+](C4)C1C2C3,0,GDB ChEMBL
84970,CCCCC1=CC(C(C)C)C2(CCC2)C1,0,GDB ChEMBL
202523,O=C([O-])CC1C=C2C=CC(=O)C2(CO)[NH2+]1,0,GDB ChEMBL
338590,CC12C3OC(=O)N1C2C(C(=O)[O-])C3C#N,0,GDB ChEMBL
366770,C#Cc1cc(Cl)cc(C(C)[NH2+]CCC)c1CC,0,GDB ChEMBL
197237,NC(=O)C1OC2OC(=O)CC(O)C(O)C2C1[NH3+],0,GDB ChEMBL
156003,CCC1C([NH3+])COC(C)C1CO,0,GDB ChEMBL
235484,[NH3+]C1COCC23CC2C1NC3=O,0,GDB ChEMBL
148948,O=C1NC2COC2C(O)C1O,1,GDB ChEMBL
260732,C#CCC1(CC(C)C)C(C)C([NH3+])C[NH+]1C,0,GDB ChEMBL
4726,C[NH2+]CC(C)(OCCO)C(C[NH3+])COC(C)=N,0,GDB ChEMBL
11007,CN1C(=O)C(O)(C[NH3+])CC(N)C1C#N,0,GDB ChEMBL
351419,COC1(CC([NH3+])C(N)=O)C([NH3+])C1(O)C(=O)[O-],0,GDB ChEMBL
337445,CC1CC2C(CO)OC2C(C(=O)[O-])[NH2+]1,0,GDB ChEMBL
318060,C[NH2+]CC1CC(C)N1C=O,0,GDB ChEMBL
379833,CNC(=[NH2+])NCCN(C)CCO,0,GDB ChEMBL
189855,C=CC1CC1C=CCC(CC)C[NH3+],0,GDB ChEMBL
104636,CC(C)[NH+]=C(NCC(C[NH3+])C[NH3+])NC(N)=O,0,GDB ChEMBL
290135,NC(=O)c1cnc(O)cc1CS(=O)(=O)[O-],0,GDB ChEMBL
384796,O=C1NC2CC(O)C(CS(=O)(=O)[O-])CC2N1,0,GDB ChEMBL
305508,CCC1C[NH2+]CC2C1C2C1CC1CO,0,GDB ChEMBL
122922,C#CCC1CC=CCCCCC1C,0,GDB ChEMBL
351176,CC1(C)CC=CCCC2CC1OC2=O,0,GDB ChEMBL
280670,C[NH+](C)C(C(N)=O)C1C(O)CCC2(O)CC12,0,GDB ChEMBL
246839,C[NH2+]C1CC2[NH+]3CCCC2(O)C1C3,0,GDB ChEMBL
321381,COCC1(OC)C=CC2C(C)CC1[NH+]2C,0,GDB ChEMBL
7406,Cc1cc(N)c(O)c(Cc2cc(C)ncn2)c1,1,GDB ChEMBL
43964,CCC(C)C1CCC2(C=O)[NH2+]CCC12C,0,GDB ChEMBL
348628,NC(=O)C1C(O)C(=O)C2C[NH2+]CCC21,0,GDB ChEMBL
200979,CCCC(CC)c1c(C)cc(C)cc1I,1,GDB ChEMBL
290004,CCCC[NH+](CCC1CC1)CC(C)C,0,GDB ChEMBL
241110,CC[NH+](C)C1C=CC(N)(C(C)[NH2+]C)C1,0,GDB ChEMBL
177174,CCC(CO)C(O)CNC(=O)NCCC(N)=[NH2+],0,GDB ChEMBL
130193,CCC(=NO)C1(NC)CN(C)C1C(O)CO,0,GDB ChEMBL
383285,Cc1csc2c1CCC[NH2+]C1(CC1)C2,0,GDB ChEMBL
302594,CCC1CC2CC1(CC[NH3+])C=CCO2,0,GDB ChEMBL
169067,C#CC(C(=O)NC)C1CC1C,0,GDB ChEMBL
39693,[NH3+]CC1NS(=O)(=O)CC(O)C2(C(=O)[O-])CC12,0,GDB ChEMBL
245536,NC(=O)NC1=NCCNC(=[NH2+])NCCC1,0,GDB ChEMBL
11195,CC1COC2C1C1CCC2[NH+]1C,0,GDB ChEMBL
101896,C#CCCC1CCC=C(C)CC1CC,0,GDB ChEMBL
152534,C#CCCC([NH2+]C)C(C#C)N(C)C(C)(C)C,0,GDB ChEMBL
348646,C#CC1CCC(C)C(CCC(F)(F)F)C1(C)C,0,GDB ChEMBL
34925,CC1=CCC(C#CCc2ccoc2)C1,0,GDB ChEMBL
207952,NCC(CC(=O)[O-])[NH+]=C(N)CO,0,GDB ChEMBL
326418,CC12CNC=C3C(=O)NC(CCO1)C32,0,GDB ChEMBL
26419,CCC1C2C(C)CC=CCC1(C)CC2[NH3+],0,GDB ChEMBL
70763,COC1Cc2cc(Br)cnc2C1,1,GDB ChEMBL
120560,C#CC(CC)C(C[NH3+])C[NH2+]C,0,GDB ChEMBL
306294,CC12CC(C3C=CC(O)CCCC31)C1CC12,0,GDB ChEMBL
203166,C#CCC[NH2+]C(C)(C)CCC(C)OCCC=O,0,GDB ChEMBL
383023,CNC(=O)C(C)C1CCC(N)C1[NH3+],0,GDB ChEMBL
64675,C#CCOCCC(CC(CO)=NO)[NH2+]C,0,GDB ChEMBL
175837,C#CC1CCCC([NH3+])C2CC(C)CCCC12C,0,GDB ChEMBL
17551,C#CCc1cc(N)cc(CC#C)c1C=O,1,GDB ChEMBL
198790,CC12CCC1c1cc(Br)ccc1C2=O,1,GDB ChEMBL
21496,CCC1C=CCC2CCC(CCC1)C2OC,0,GDB ChEMBL
175748,N#CCCN1CCC([NH2+]CCC(=O)[O-])C1,1,GDB ChEMBL
386679,CC(OC=O)C(N)c1ncnc(NCCO)n1,0,GDB ChEMBL
258345,Cc1c(C(C)C)ccn1CCO,1,GDB ChEMBL
6521,CC(CCOC(=O)CCCO)CNC=O,1,GDB ChEMBL
368470,N=C(NC=O)C(CC[NH3+])C(=O)[O-],1,GDB ChEMBL
209448,[NH3+]CCC(CC(O)CO)[NH2+]CCc1nn[n-]n1,0,GDB ChEMBL
112778,CC(C(N)C(F)(F)F)N(C=O)CCCC[NH3+],0,GDB ChEMBL
152582,CC(C)(C)C(C#N)C(=O)c1cnc(N)nc1,1,GDB ChEMBL
33132,CCCC#CCCOC1(C)CC1,1,GDB ChEMBL
398856,CC1CC(C)(CC2CC[NH+](C)C2)C1,0,GDB ChEMBL
21506,CCC(C=CC1(COC)CN1)C[NH3+],0,GDB ChEMBL
47227,C=CCC(C)([NH2+]C1CCC1)C(C)C,0,GDB ChEMBL
307615,CCCc1ocnc1CC(=O)OC,1,GDB ChEMBL
208404,CCC1(C(C)C[NH3+])COC(=O)C(C)C(CO)O1,0,GDB ChEMBL
156138,COCC(=O)C#CCC(C)C(C)CO,1,GDB ChEMBL
248666,CN(C(=O)CO)C(=O)n1cnnn1,1,GDB ChEMBL
109595,CC1CC2CCCC(CC2)C1C,1,GDB ChEMBL
288118,CC1CCC=CC=C(CC(F)(F)F)C1,0,GDB ChEMBL
71688,CC1C=C2CC3OC(CO)CCC3N2C1=O,0,GDB ChEMBL
130462,CCC(C)(CC)CC(C[NH2+]C)CC1CC1C,0,GDB ChEMBL
288957,CC1OC(=O)C1NC(=O)C[NH3+],1,GDB ChEMBL
312550,CC1(O)CC(O)CCCC(O)C1,1,GDB ChEMBL
379116,COc1cc(Cl)cc(C(C)OC)n1,1,GDB ChEMBL
177315,CC1CN2C3c4ccc(F)cc4CC1C32,0,GDB ChEMBL
71295,COc1cc2ncccc2s1,1,GDB ChEMBL
366606,CCS(=O)(=O)N(C)C1COC2C(C)[NH2+]CC21,0,GDB ChEMBL
348816,CCC(C)(CCC(C)=O)C1CC1,1,GDB ChEMBL
11676,COCC1CC2C[NH2+]C2C1C,0,GDB ChEMBL
215358,CCN(CCCCCc1cncnn1)C(N)=[NH2+],0,GDB ChEMBL
67581,CCC1C2C[NH2+]C1C2COC,0,GDB ChEMBL
20100,Brc1ccc(CC#CC2CC2)c2c1CCC2,1,GDB ChEMBL
136052,Cc1c(C(C)C)cc(CC(C)C)c(Cl)c1C,1,GDB ChEMBL
228357,CC12CC(O)C(C1)OC1(C)C(NC(N)=O)C21,0,GDB ChEMBL
320460,CCCC12COC(C(=O)N1)C2[NH3+],0,GDB ChEMBL
287034,Cc1ccoc1N1CCN(C(=O)CO)C1=O,1,GDB ChEMBL
383309,C#CCC1COC(C)C(C)c2cccc(Cl)c21,0,GDB ChEMBL
199030,CNC1=[NH+]CC=CC(=O)N1,0,GDB ChEMBL
125558,C#Cc1nc(CC)n2c1C1CCCCC2C1,1,GDB ChEMBL
67380,CCC1(COC)CC(O)C(C)C(C)C1(C)O,0,GDB ChEMBL
250572,CC(CO)C(C(N)=[NH2+])C(=O)C(=O)[O-],0,GDB ChEMBL
365768,C#CCCN1CC2C(O)C(C1)C2[NH2+]C,0,GDB ChEMBL
6133,COC1CC(=O)c2c([O-])nn(C)c(=O)c21,0,GDB ChEMBL
165982,CC1(O)CC2C(=O)C=CC1C2CC#N,0,GDB ChEMBL
91220,[NH3+]C(c1cscc1CO)C1CCCCCC1,0,GDB ChEMBL
95157,N#CCc1conc1NC(=O)OC1CC1,1,GDB ChEMBL
391470,NC(=[NH2+])NCC1C(=O)C2[NH2+]C1C1OCCC21,0,GDB ChEMBL
356835,CC1CCC2[NH2+]CC(C)C2N1,0,GDB ChEMBL
313316,CC1CC(O)C2CC(C)C1C2C(C)(C)C,0,GDB ChEMBL
198684,CC1C2CC=CCC1C1C2[NH+]1C,0,GDB ChEMBL
40306,CCS(=O)(=O)NC1CC(OS(N)(=O)=O)C1,1,GDB ChEMBL
375447,COC1C(C)C2CC1(O)C1COC(C)CC[NH+]21,0,GDB ChEMBL
41028,COCC1(C(=O)[O-])CCC[NH+]1CCO,0,GDB ChEMBL
50331,COC(N)=Nc1cc(Cl)nc(C)n1,1,GDB ChEMBL
161356,C[NH2+]C1(CO)C(O)C1OC(C)=O,0,GDB ChEMBL
243732,CCCC1CCCC1(C)O,1,GDB ChEMBL
47524,OC1C[NH2+]C2CNC3=[NH+]CCCN3C12,0,GDB ChEMBL
174838,CCC(=O)CC(C)(CC(C)C)C1OC1(C)C,0,GDB ChEMBL
338524,C[NH2+]C(C)C1CC2(C)CNC1C(C)O2,0,GDB ChEMBL
199064,O=CCC1CC(=O)NC(=O)CN1,1,GDB ChEMBL
311672,NC(=[NH2+])NCC12CC(=O)OC1C(C(N)=O)N2,0,GDB ChEMBL
371673,O=C1CC(O)CCC1C1CC1,1,GDB ChEMBL
12722,CCOC(=O)C1(C#CC(CC)=NO)CC1,0,GDB ChEMBL
225399,CCCC1CC(C)(C)CC(C)C1CC(C)CC,0,GDB ChEMBL
109506,C[NH2+]CCC[NH2+]C1CC(=O)C(C)C1,0,GDB ChEMBL
309790,CC1(O)CCOC(CO)CC1[NH3+],0,GDB ChEMBL
319147,COCC[NH+]=C(N)CS(N)(=O)=O,0,GDB ChEMBL
97160,CC1CC=CCC[NH+](C(C)C)C1,0,GDB ChEMBL
79491,N#C[C-](C(N)=O)C1OC1CCC=O,0,GDB ChEMBL
386447,COC1C2CC3CC(NC2=O)C31,1,GDB ChEMBL
340138,CC([NH3+])C[NH+]=C(N)NC(=N)OCC[NH3+],0,GDB ChEMBL
280015,CCc1c(C)c(C#N)c(Br)c2c1C(CC)CC2,1,GDB ChEMBL
1068,CCC(C)[NH+]1CCC1,0,GDB ChEMBL
363165,CC(O)C1CCC2(C)CCCC=CC12,0,GDB ChEMBL
253599,Cc1c(C)c2c(c(C(F)(F)F)c1C)CCCC2,1,GDB ChEMBL
125648,NC1C(=O)N2C(=O)C(C(=O)[O-])C(O)C12,0,GDB ChEMBL
79534,C[NH2+]C(CCn1cccc1)C(CCO)C(C)=O,0,GDB ChEMBL
130365,CCOC(=O)NCC1CN=C(OC)CNC1=[NH2+],0,GDB ChEMBL
41264,CNC(=O)N(CC[NH2+]C(C)(C)C)C(=N)C[NH3+],0,GDB ChEMBL
91199,NS(=O)(=O)OC(CO)COCC[NH3+],0,GDB ChEMBL
47801,CCC(C#N)N=C(N)OCC#N,1,GDB ChEMBL
153320,CC12CC(O)C(C=CC[NH2+]1)C2,0,GDB ChEMBL
50136,NC1C([NH3+])C1C1[NH2+]CCC1O,0,GDB ChEMBL
259338,CC1=CC(=O)C(C(C)CO)COC(=O)N1,1,GDB ChEMBL
259362,CC#CC1=CCCCC(C(F)(F)F)C1,0,GDB ChEMBL
199025,CC1CC(C)(C)CC1[NH+]1CC(C)(C)C1,0,GDB ChEMBL
6153,CCC1C[NH2+]CC(Cc2ccco2)[NH2+]C(C)C1,0,GDB ChEMBL
118405,CCCCC(CC(C)(C)C)C(C)C,1,GDB ChEMBL
117438,COC1CC([NH3+])C2(O)C1C2([NH3+])C(=O)[O-],0,GDB ChEMBL
354107,O=C([O-])c1c(F)cnc2nc(O)nn12,0,GDB ChEMBL
115021,CC1C2CC2(C#N)N1CCO,1,GDB ChEMBL
210433,COC1C(N)=[NH+]C(C(C)C#N)C(C)C1C(=O)[O-],0,GDB ChEMBL
181397,[NH3+]CCC12CCCC3OCCC3C1CC([NH3+])C2,0,GDB ChEMBL
236538,Cc1cc(F)cc2c1C1CC(C=C2)C1,1,GDB ChEMBL
392265,COC1C(O)COC2C1CC(C)(OC)C2O,0,GDB ChEMBL
289781,C[NH2+]C1CC2(C#N)C(=O)CC1(O)CC2=O,0,GDB ChEMBL
281217,[NH3+]C1CNC(=O)C(O)C2OC2CC1O,0,GDB ChEMBL
288604,CCC1(CC2(CC[NH3+])CC(O)C2)CCCC1,0,GDB ChEMBL
153281,C[NH2+]CC1C2CC3OC1C(C)C3C2,0,GDB ChEMBL
107817,C#CCC([NH3+])C(O)CO,0,GDB ChEMBL
277914,C#CCC1(CO)CCC(O)CCC1C(F)(F)F,0,GDB ChEMBL
359073,CC1[NH2+]CC2CN(C)C(C[NH3+])(C2)C1O,0,GDB ChEMBL
246368,Cc1cncc(C[NH+]=C(N)N)c1S(=O)(=O)[O-],0,GDB ChEMBL
18329,C#CCc1ccc(Cl)cc1CCOCC,1,GDB ChEMBL
28226,CC1=CC2C3c4cccc(C)c4CC1(C)C23,0,GDB ChEMBL
227527,CCCCCCCc1c[nH]c(C)c1,1,GDB ChEMBL
33876,C#CC1C(O)CC(=O)C1CCNS(C)(=O)=O,0,GDB ChEMBL
267951,CC(CO)Cn1cncc1[N+](=O)[O-],1,GDB ChEMBL
379239,CC1CCCC(C)C2CCC(C1)C1CCC21,0,GDB ChEMBL
156054,CCC(C)C1(C)COC1C(C)O,0,GDB ChEMBL
160868,NC(=O)C1NCC2NC(=[NH2+])OC(CO)C2C1[NH3+],0,GDB ChEMBL
24265,CCC1CC2C(O)C3CC3CC[NH+]2C1,0,GDB ChEMBL
229440,C#CC1(O)C(O)C(=O)CC(C)C1OCCCO,0,GDB ChEMBL
84553,CC(=O)c1cccc(N)c1C,1,GDB ChEMBL
12842,CCC(CC[NH2+]C)C(C)O,0,GDB ChEMBL
127034,C[NH+]1CCCC2CC3C1CCC23C,0,GDB ChEMBL
174282,[NH3+]C1CCCCNC=[NH+]C1,0,GDB ChEMBL
26400,C[NH2+]C(CCO)c1noc2c(N)nc(N)nc12,0,GDB ChEMBL
372093,C[NH2+]C1CCC(C)(O)C1,0,GDB ChEMBL
124330,C[NH2+]C(CN)CC1(CCO)CO1,0,GDB ChEMBL
45994,CC(C1CC(CO)CC2CCOC21)C(F)(F)F,0,GDB ChEMBL
318355,COc1c(C)cc(N)n1CC(C[NH3+])C(C)(C)O,0,GDB ChEMBL
261196,C=CC1C=C(C)C2(C)CCCCC12,1,GDB ChEMBL
366874,CC1=C(C=O)C(O)CCN1C,1,GDB ChEMBL
27798,CCC1COC(C)C2C(C[NH2+]C)C12,0,GDB ChEMBL
355178,N=C1CC(C(NC(N)=O)C(N)=O)O1,0,GDB ChEMBL
124567,CCC1=CC=C2C[NH+](C)CC2C(C)C1,0,GDB ChEMBL
356481,CC1(S(=O)(=O)[O-])CC(C(=O)[O-])NC1=[NH2+],0,GDB ChEMBL
96056,CC1CCC(C(O)(C#N)C(=O)[O-])C(N)=[NH+]1,0,GDB ChEMBL
39685,[NH3+]CCN1CC1(C(=O)[O-])C(C[NH3+])CO,0,GDB ChEMBL
392469,CC1CC=Cc2cccc(F)c21,1,GDB ChEMBL
382510,CCS(=O)(=O)NC1C([NH3+])CC(C(C)O)C1[NH3+],0,GDB ChEMBL
284008,C#CC(CC=C1C[NH2+]C(C)C1)OC,0,GDB ChEMBL
236623,C#CC(C(=O)C[NH2+]C)C1OCCCC1C(C)=O,0,GDB ChEMBL
9963,[NH3+]CC1CN(C(=O)CO)CC12C[NH2+]C2,0,GDB ChEMBL
84978,CC(CC[NH3+])C1CC[NH+]2CC12,0,GDB ChEMBL
27767,NC(=O)C12CN1CS(=O)(=O)CC2CC(=O)[O-],0,GDB ChEMBL
118151,CCOC(=O)C(=N)NC(=O)CO,1,GDB ChEMBL
205805,C#CC1OCC1NC(N)=[NH2+],0,GDB ChEMBL
383974,C[NH+]=C1CN(C)CC(C(O)CO)CCN1,0,GDB ChEMBL
325705,C#CCCC(CN)[NH2+]C1(C)CCC1,0,GDB ChEMBL
271516,C[NH2+]CC(CNCC[NH3+])NC=O,0,GDB ChEMBL
43966,CC1C2OC(CCO)C2CN1C(C#N)C=O,0,GDB ChEMBL
81044,CCC1(N(C)C(N)=[NH2+])C(O)C1C(N)=O,0,GDB ChEMBL
73289,CCC(O)C1(C(C)C)CC([NH3+])C(CC(=O)[O-])C1,0,GDB ChEMBL
118117,CC1(N)CN2C(=N)NC(=O)C21,0,GDB ChEMBL
153698,CC(C)OC(C)CCC([NH3+])C1CC1C#N,0,GDB ChEMBL
210274,OCc1nn2ccc(Br)cc2c1O,0,GDB ChEMBL
150550,O=C1NCC2CNS(=O)(=O)CC2C1=O,0,GDB ChEMBL
331731,C[NH2+]CC(C)C1[NH2+]C(C)C2CC21,0,GDB ChEMBL
97175,CC[NH+]1C(C)C2NC(=O)C(C)(N)C1C2C,0,GDB ChEMBL
307568,CCC1([NH2+]C)CC(O)C([NH3+])C2CC21,0,GDB ChEMBL
195311,C[NH2+]CC1CC(=O)C2C3CCOC3C(=O)NC12,0,GDB ChEMBL
305950,CC(=O)OCc1cc(C2C3CCC2[NH2+]C3)no1,0,GDB ChEMBL
390124,CCCOCc1ccc(I)c(I)c1C,1,GDB ChEMBL
309184,N#CC1N=C(OCC(N)C(N)=O)NC1CCO,0,GDB ChEMBL
115174,CCOC1C(OC)C1C(N)=[NH2+],0,GDB ChEMBL
183426,C#CCC([NH3+])c1csc(C)n1,0,GDB ChEMBL
204572,CCC1(C(N)=O)C=CCCC1C,1,GDB ChEMBL
240501,NC(=O)[c-]1oc(=O)[nH]c1=O,0,GDB ChEMBL
93149,C#CC(C)[NH2+]CC1C([NH2+]C)CC2CC(=O)OC21,0,GDB ChEMBL
69611,C[NH+]1C2CCC1C1CC1C2O,0,GDB ChEMBL
155179,C[NH2+]CC1CC1CC([NH3+])C(C)O,0,GDB ChEMBL
378882,CC(=NO)C1C2C(=O)NC(C2O)C1C(N)=[NH2+],0,GDB ChEMBL
210165,CC1OC2CCCC(O)C1C2,1,GDB ChEMBL
305259,[NH3+]C1CC(=O)OC1C1(O)C2CNS(=O)(=O)C21,0,GDB ChEMBL
365725,CCCCCC1CC2C[NH+]1C1CC2CC1(C)C,0,GDB ChEMBL
358870,[NH3+]Cc1c([O-])c(F)nc2cc(CC(=O)[O-])[nH]c12,0,GDB ChEMBL
87066,Fc1ccc2c(c1F)C1CC=CC1=CC2,0,GDB ChEMBL
276162,C#CC1CC2c3ccccc3C(C1)C2C#C,0,GDB ChEMBL
86679,CN1CC2(CC1=O)OCCC2C#N,0,GDB ChEMBL
251399,CCC1C(C(C)=O)C2CCC(CC2)N1C(C)=O,0,GDB ChEMBL
127503,CCC12C(=O)NC3C(C)OC1C32,0,GDB ChEMBL
76512,C#CCC(CC)c1c(Br)ccc(CCC)c1Br,0,GDB ChEMBL
258728,NC1=[NH+]CC23CC(=O)OCCC2C13O,0,GDB ChEMBL
161798,C#Cc1cc(Cl)cc(Cl)c1CC,1,GDB ChEMBL
45968,CC1(C#N)C2C(C(=O)[O-])[NH2+]CC21CC=O,0,GDB ChEMBL
1461,CS(=O)(=O)c1cc(C(N)=O)sc1C(N)=O,1,GDB ChEMBL
164692,N=C(NC(=O)CO)NC1=NCC(O)CCO1,0,GDB ChEMBL
223305,COC1(C)C(CC(=O)[O-])OCC[NH2+]C1(C)C,0,GDB ChEMBL
76488,CCC1=CC(C(C)[NH2+]C)C(C)C1CC,0,GDB ChEMBL
238192,Cn1c(N)cc2nc(NC(N)=[NH2+])sc21,0,GDB ChEMBL
338818,C[NH2+]CC(C#CC1(O)CN(C)C1)C(=O)[O-],0,GDB ChEMBL
394337,CC1(C)C[NH2+]C2CC21CC(=O)[O-],0,GDB ChEMBL
330164,CCC1CC(O)C(C)=CC(OC)=N1,0,GDB ChEMBL
273416,CCC(C=O)C1NC(=O)C(CC)(C(=O)[O-])C1O,0,GDB ChEMBL
120573,CCOCCC1C[NH+]=C(N)NC(N)=[NH+]C1,0,GDB ChEMBL
95608,CC(COCC(C)(C)C)Cc1ccoc1,1,GDB ChEMBL
122731,CCC1C(CO)CC2[NH2+]CCC1(C)C2O,0,GDB ChEMBL
347959,CCOC(=N)N(CS(N)(=O)=O)C(=O)C1CC1,0,GDB ChEMBL
81501,CC(C)C(CCCC1CC1)C1C[NH2+]C1,0,GDB ChEMBL
68629,CC1C2CCC([NH2+]C3CC3)CC12CO,0,GDB ChEMBL
22809,CCOC(C)C[NH2+]Cc1scnc1CO,0,GDB ChEMBL
40059,COC(=O)[N-]C(=O)c1noc(C(C)(C)O)c1[O-],0,GDB ChEMBL
349641,CN=C1N2C(CN1S(C)(=O)=O)C2C(=O)OC,0,GDB ChEMBL
281025,CC(=O)NCC1(N)C(N)=NC(C#N)(CO)C1O,0,GDB ChEMBL
152070,Cc1cnc(C)c2c(ccs1)OCO2,0,GDB ChEMBL
234500,CCN1C(C(N)=O)C1C([NH3+])C(C)O,0,GDB ChEMBL
285608,CC1C=CC(C)C2C3C=CC(C3)C12,1,GDB ChEMBL
378920,NC(=[NH2+])CC1CS(=O)(=O)NCCO1,0,GDB ChEMBL
337965,CCC(N)(C[NH3+])C(CC#N)CS(=O)(=O)NC,0,GDB ChEMBL
163405,COC1C2CC(NC(C)=O)C1C2,0,GDB ChEMBL
78636,CCC#CC(CC1(C)COC1)NC(=O)CC,0,GDB ChEMBL
118861,CC(=O)OC1CNC(=O)CNC(=O)C1=O,1,GDB ChEMBL
333658,CC1=CC(N)=[NH+]CC(O)CCN1,0,GDB ChEMBL
368165,CC1Cc2cc(C(C)C)cc(Cl)c2C1,1,GDB ChEMBL
274362,CCCC12CC([NH2+]C1(CN)CC(=O)[O-])C2C,0,GDB ChEMBL
379378,NC(=[NH2+])C1(O)COC(=O)NCCC12CC2,0,GDB ChEMBL
182290,CC1CCC2CC1C21CCCCC1O,0,GDB ChEMBL
238002,C[NH2+]CCc1snc(C#N)c1S(N)(=O)=O,0,GDB ChEMBL
176487,CCOCc1ccc(C(=O)CO)o1,1,GDB ChEMBL
302443,CNc1ccc(Cl)c2c1C=C(C(C)C)CO2,0,GDB ChEMBL
312203,CCC1(N)C(=O)NC2CC2CC([NH3+])C1N,0,GDB ChEMBL
102146,CC12CCCC1c1c(ccc3c1CCC3)C2,1,GDB ChEMBL
288500,CCC1C(C#N)C=CCCC2(C)CN1C2,0,GDB ChEMBL
28294,CCOC(=O)Cc1cc(C)[nH]n1,1,GDB ChEMBL
322880,[NH3+]CCNC(=O)c1nc[n-]n1,0,GDB ChEMBL
83491,CCOCC12CC(C1)[NH2+]C2CN,0,GDB ChEMBL
290314,N#CC1C2OC(C(N)=O)(C(=O)[O-])C1NC2C[NH3+],0,GDB ChEMBL
251833,C#CCC1OCc2c(ccc(F)c2C)C1(C)[NH3+],0,GDB ChEMBL
94603,N#CC1OC(=O)CS(=O)(=O)NC1C[NH3+],0,GDB ChEMBL
362572,CCCCC#CC1CC(C=O)=CC(C)(C)C1,0,GDB ChEMBL
16040,C#CC(N)(C(C)C(C)C)C(C)[NH+]1CCCCC1,0,GDB ChEMBL
129395,CC(O)C(N)(C#N)CS(N)(=O)=O,1,GDB ChEMBL
281805,CCC1=Cc2cccc(Br)c2CCCC1,1,GDB ChEMBL
97170,CNC(=O)C1OC2(C)CNS(=O)(=O)C12,0,GDB ChEMBL
47674,C#CCCCC([NH3+])C(=N)Oc1cnccn1,0,GDB ChEMBL
349608,COCCNC(=O)CCS(C)(=O)=O,1,GDB ChEMBL
254234,CCC(C)c1c(C)c(Br)cc2c1C(C)C(C)C2,1,GDB ChEMBL
115443,C#CCC1CC(OC)C(C#C)CCCC1(C)C,0,GDB ChEMBL
239347,CC1CC(C(=O)[O-])(C(C)(C)C(C)NC=O)C1,0,GDB ChEMBL
215330,CCOCCC1(C)OC(CC)C1C(N)=[NH2+],0,GDB ChEMBL
291510,CC(C)CC1CC([NH3+])C2CCC(CC2)CC1C,0,GDB ChEMBL
153680,C[NH+]=CNC(CC[NH+](C)C)C([NH3+])C1CCCC1,0,GDB ChEMBL
285098,CC(O)Cc1ccccc1I,1,GDB ChEMBL
76785,N=c1cnc(C(=O)NCC[NH3+])nc(N)c1,0,GDB ChEMBL
69564,CC1CCC2(C)CCCOC1(C)C(C)[NH2+]CC2,0,GDB ChEMBL
394894,C#CCN=C(NC1CC1)OCC[NH3+],0,GDB ChEMBL
4865,O=C1CCC2C(=O)NC(C1)C2O,0,GDB ChEMBL
95194,CC(C1CC(O)C2OC12)[NH+]1CCC1,0,GDB ChEMBL
245844,C#CCC1CC(C[NH2+]C)CC2=CCCC2C1,0,GDB ChEMBL
359066,CC1C[NH+]2C(C)C1C=CC1CCCC12,0,GDB ChEMBL
279994,[NH3+]CCCn1ncc2ncnc(O)c21,0,GDB ChEMBL
330134,C#CCCc1c(F)ccnc1C,1,GDB ChEMBL
358845,CC(O)(C(=O)[O-])C1N=C(N)NC1C#N,0,GDB ChEMBL
140406,CCOC1(C2CC[NH2+]2)CC1,0,GDB ChEMBL
244575,NC(=O)C1C(=O)OC2(CC(=O)[O-])CC1C2O,0,GDB ChEMBL
3013,CCC1CC2CC3[NH2+]CCC3OC2C1CC,0,GDB ChEMBL
190110,CC(Nc1cnc([NH+]=C(N)N)c(I)c1)C(N)=O,0,GDB ChEMBL
168407,CC(=O)C(C)NC1(C#N)C(O)C1C(N)=O,0,GDB ChEMBL
362055,CCC(O)CCNc1cnc(O)s1,1,GDB ChEMBL
50226,CCC1(C)C(O)CC(C#N)C1C(C)CC(C)C,0,GDB ChEMBL
133147,CCc1c(C)cc2cc(C3CC3)sc2c1Cl,1,GDB ChEMBL
332462,CC(=CCCC(F)(F)F)C(C)(C)C,1,GDB ChEMBL
46010,C#CCC(CCC)C1CC[NH2+]1,0,GDB ChEMBL
349672,COC(=O)C(CS(N)(=O)=O)N(C)C=O,1,GDB ChEMBL
363166,CCC1CCC(C)C(O)CC(C)(C)C(C)CC1,0,GDB ChEMBL
186013,CCC1CC2CCC2C1CC[NH3+],0,GDB ChEMBL
120575,CC12CNC(C#N)CC1C1CCC(CO1)[NH2+]2,0,GDB ChEMBL
95207,C[NH2+]C1C(C)C(C)CC(C2CC2)C1(C)C,0,GDB ChEMBL
385595,NC(CS(=O)(=O)[O-])C1[NH2+]CC1CC(=O)[O-],0,GDB ChEMBL
308211,CCCC(C)C1(C)CC2CC=CC=CC1C2,0,GDB ChEMBL
264992,CC12CC3NC(=O)CC1C3C1OC12,0,GDB ChEMBL
224013,CCOC1COC(=O)C2CCC(CC2)C(C)O1,1,GDB ChEMBL
362620,CNc1nc(C)n(CS(N)(=O)=O)c1C(N)=O,0,GDB ChEMBL
228508,CC(=O)C(CCO)N=C1NCC1S(C)(=O)=O,0,GDB ChEMBL
141938,COC1(C2CC2)C(C)C(CO)OC1S(N)(=O)=O,0,GDB ChEMBL
244524,CCC(C[NH3+])C(OC)C1COC1,0,GDB ChEMBL
79635,C#CCC(CC)c1cc(Cl)cc(C#C)c1CC,0,GDB ChEMBL
92875,CCCc1[nH+]c(N)cc(OC(C)C)c1O,0,GDB ChEMBL
291907,CCNC(=O)CCc1coc(=N)n1C(N)=O,1,GDB ChEMBL
58955,OC1CNC1c1ncccn1,0,GDB ChEMBL
289942,CCC(CC)(CC)c1ccc(F)cc1F,1,GDB ChEMBL
64307,O=CN(CCO)C1=NCC(CO)O1,1,GDB ChEMBL
118875,C#Cc1cc(F)c(F)c(OC)c1,1,GDB ChEMBL
358439,CNc1cc(=[NH2+])ccc(NCC(C)O)[nH+]1,0,GDB ChEMBL
28326,COCc1cc(I)c(C)cc1CC([NH3+])C(C)C,0,GDB ChEMBL
358906,COC(=O)C1NC(C(N)=[NH2+])C1C,0,GDB ChEMBL
35707,COC1CC([NH3+])C(N)C1C(O)C[NH3+],0,GDB ChEMBL
363206,Cc1cc2c(c(Cl)c1C(C)(C)C)CCC2C,1,GDB ChEMBL
109193,CCCC1([NH3+])CC[NH+]=CNC(CO)C1,0,GDB ChEMBL
322938,CCCc1c(N)nc(=N)cnc1C(C)O,0,GDB ChEMBL
375439,COC(=O)C1OCOC1CS(N)(=O)=O,0,GDB ChEMBL
63102,C[NH2+]C1C(=O)NC(C)C2(C)OC12,0,GDB ChEMBL
74291,CC(O)CCC1C([NH3+])CCOC2CC21,0,GDB ChEMBL
97229,CC(=O)OC1CCOC2C(C)C2(O)C1C,0,GDB ChEMBL
172771,CC([NH3+])C1C2CNC(=O)C(O)(CO)C21,0,GDB ChEMBL
320265,[NH3+]C(COC1C(O)C2OC1C1NC12)C(=O)[O-],0,GDB ChEMBL
101524,C#CC1(C)CC[NH2+]CCC(O)CS(=O)(=O)N1,0,GDB ChEMBL
201023,O=Cc1sccc1NCC(O)CO,1,GDB ChEMBL
165929,CC1NS(=O)(=O)OC1C(=O)NCCO,1,GDB ChEMBL
11210,CC1c2cccc(F)c2C2C3CC[NH+]1C32,0,GDB ChEMBL
292280,CNC(=O)N(CC(C[NH3+])COC)CC(C)(C)O,0,GDB ChEMBL
227522,CCCN(C)C(=[NH2+])C(CN)NC,0,GDB ChEMBL
278113,NS(=O)(=O)CCN1CC[NH2+]CC1,1,GDB ChEMBL
255147,CC(C)C1C(CO)N(C(N)=[NH2+])CC2OC21C,0,GDB ChEMBL
175873,CCc1c2c(nn1C)C(O)C(C(C)O)C(=O)C2,1,GDB ChEMBL
246434,CCCc1ccc(CC2CCCC2(C)[NH3+])cc1,0,GDB ChEMBL
157413,[NH3+]CCNC(=O)C1NC(CO)C1[NH3+],0,GDB ChEMBL
300719,CC1(O)CCCC2CC3C=CC([NH2+]C3)C21,0,GDB ChEMBL
338359,C#CC1C(C[NH3+])C1C(OC)C(C)CC,0,GDB ChEMBL
160366,CCC1C(C)CC2(C)CCCC=CC1C2,0,GDB ChEMBL
321975,CCN(C(=O)C(C)[NH3+])C1C(C)NS1(=O)=O,0,GDB ChEMBL
234475,C[NH2+]C(CCS(=O)(=O)[O-])C(C)=NO,0,GDB ChEMBL
359158,COc1cccc(Br)c1C(CO)C(C)(C)C,1,GDB ChEMBL
349678,CC[NH2+]C1(C)CCn2ccc(C)c2C1C,0,GDB ChEMBL
33298,N#CC1NC(C#N)C(O)C(=O)C1O,0,GDB ChEMBL
99147,CNC(=[NH2+])N1C2CC(CC2O)C1(CO)C(N)=O,0,GDB ChEMBL
165925,CC12CC(C(N)=O)C3C[NH2+]C3C1O2,0,GDB ChEMBL
353584,CC1=CCC2(C)CC([NH3+])CC(C1)C(CO)[NH2+]2,0,GDB ChEMBL
125560,CC(N)C(CO)NC(=[NH2+])NCC(O)C(O)CO,0,GDB ChEMBL
252899,CNc1nscc1CCC(=O)[O-],1,GDB ChEMBL
208324,CCC1CC2CCC(C)(C1)C(CC)C(C)C2,0,GDB ChEMBL
186021,CCC(CC)CC1C2CCCC1C(C)C2C,0,GDB ChEMBL
210204,CCOC1OC(=O)C([N-]S(C)(=O)=O)C1O,0,GDB ChEMBL
351438,CCCC1CCC1CN1CC=CC1=O,1,GDB ChEMBL
37592,C#CC([NH3+])c1ccc(C#CC)cc1C,0,GDB ChEMBL
334675,CCc1cc(C2CC2)cc2c1N(C=O)CC2,1,GDB ChEMBL
148202,C[NH2+]CC12OC1C(COC(C)(C)C)CC2C,0,GDB ChEMBL
50251,O=C1C=CC2CC2CCN1,1,GDB ChEMBL
84443,Cc1cc(N)c2cc(Cl)c3[nH]ccc3c2c1C,1,GDB ChEMBL
276033,C=C1C([NH3+])CS(=O)(=O)NC1CC[NH2+]C,0,GDB ChEMBL
120349,CCC1CC(=O)NC1C(=O)NC1(C)CC1,1,GDB ChEMBL
312178,O=CC12C3CCC[NH2+]C1C2NCCO3,0,GDB ChEMBL
153724,CC1OC(=O)C2CC1(C)N(C=O)C2CO,0,GDB ChEMBL
53818,CCOC(=O)[N-]S(=O)(=O)c1ncns1,0,GDB ChEMBL
135789,C#CC1(C)C2CCC([NH2+]C)CC21,0,GDB ChEMBL
189741,CS(=O)(=O)NCC1(O)C([NH3+])C2OC2C1[NH3+],0,GDB ChEMBL
34257,CC1C(=O)CC2CCCCC21,1,GDB ChEMBL
187245,[NH3+]C1C2OC1(CCO)C(C(=O)[O-])C2O,0,GDB ChEMBL
13823,CCOCC1=CC2CC(C(C)C)C(C)(C1)C2,0,GDB ChEMBL
155770,CCC1C(C)CCC2CNC(=O)C1(C)C2CC,0,GDB ChEMBL
87526,COCC1CC2(C)C(C)C1CC(C)C2O,0,GDB ChEMBL
127717,O=C([O-])C1C2=CC[NH+]1CCCC(=NO)CC2,0,GDB ChEMBL
126831,CCCC1C(C)CCCC2CCC1C2CCC,0,GDB ChEMBL
156211,C#CC1(OC)CCCCC(CO)CC1,0,GDB ChEMBL
202507,CC[NH2+]CC(C[NH3+])OCC[NH3+],0,GDB ChEMBL
254910,C#CC1C(O)CCC1[NH2+]CC=O,0,GDB ChEMBL
355322,CC(=O)CC1CCC(C)C1c1ncccc1C,0,GDB ChEMBL
350947,C#CCC[NH2+]CC(CC(O)CCC[NH3+])OC=O,0,GDB ChEMBL
249820,CCCN1C(=O)C(O)CS1(=O)=O,1,GDB ChEMBL
343271,CCC1=CC(C)(C)Cc2c(O)ccc(Cl)c21,0,GDB ChEMBL
223556,CCc1cc(F)cc(C)c1CC1CC1C,1,GDB ChEMBL
277618,O=CCC1(C(=O)[O-])C2C=CC1COC2,0,GDB ChEMBL
190028,Brc1ncnc(Br)c1C1CCC[NH2+]1,0,GDB ChEMBL
358875,CC1C[NH+]2CC(C)(COCCC2C=O)C1,0,GDB ChEMBL
25154,Nc1c(C[NH3+])ccn1CCO,0,GDB ChEMBL
308215,CC1CC(C(C)C)=CC(C)(C)[NH+](C)C1,0,GDB ChEMBL
103443,CC(C)(O)CC12CC(=O)OCC(CCC[NH2+]1)C2,0,GDB ChEMBL
97161,C[NH2+]CCC(C)CNc1cc(=O)c(O)ncn1,0,GDB ChEMBL
47783,N#CCC1=Cc2ccc(F)cc2C12CC2,1,GDB ChEMBL
173721,CC(O)c1ncccoccc1C(N)=[NH2+],0,GDB ChEMBL
39665,CC1=CC2(C)CC1CC(C)[NH+]1CC(C1)O2,0,GDB ChEMBL
304866,CCC1C2CC3(C)COC2C(O)C13,0,GDB ChEMBL
34308,C[NH2+]C1CC2CCC1C2C,0,GDB ChEMBL
333926,CNC(=O)C12C([NH3+])CC(C)C1C2[NH3+],0,GDB ChEMBL
119635,CC1=CC(C)(C(N)=O)C2(O)CCC1OC2,0,GDB ChEMBL
80209,CCc1ccn(CC2(C)CC(=O)C2)c1CC,1,GDB ChEMBL
339060,C#CCC(C1=CCC2(CC1)CC2)C(C)CC,0,GDB ChEMBL
180814,CC([NH3+])C1NC(=O)C2OC1(CO)C2C(=O)[O-],0,GDB ChEMBL
389501,CNC(COC)=[NH+]Cc1[nH]c(C#N)cc1OC,0,GDB ChEMBL
351329,CC(=O)NC(C(N)=[NH2+])C1(O)CC1[NH3+],0,GDB ChEMBL
55534,CC1OCC2C([NH3+])CCC2C1C[NH3+],0,GDB ChEMBL
101024,[NH2+]=c1cc(C2CCC2)c(O)ccc1CCO,0,GDB ChEMBL
50286,CC1NC(=O)NC(C(N)=O)CC([NH3+])C(O)C1O,0,GDB ChEMBL
352695,CC1(c2cncs2)CC([NH2+]CCO)C1,0,GDB ChEMBL
244456,CNC(=[NH2+])C1CCCN1C,0,GDB ChEMBL
185989,Cc1c(OC(N)=O)cc(S(N)(=O)=O)nc1N,1,GDB ChEMBL
244655,CC(=O)OCc1nc(N)c(CC(N)=[NH2+])n1C,0,GDB ChEMBL
202832,CC[NH+]1CC(C)CC=CCC2(C1)OC2C,0,GDB ChEMBL
300456,CC1C=CCC(=[NH2+])N(C)CC1,0,GDB ChEMBL
247349,C[NH2+]C(C)C1Cn2ncnc2C1C(O)C[NH3+],0,GDB ChEMBL
26605,O=CC1C2CC(O)CC(CO)N12,0,GDB ChEMBL
305193,[NH2+]=C1NCC(OC=O)C(CO)N1,0,GDB ChEMBL
382090,Cc1nc2nc3ccccn3c2ccnc[n-]1,0,GDB ChEMBL
61970,CCC(C)CNC=[NH+]C1COC1,0,GDB ChEMBL
172345,NC(=O)C1NCC(O)C2(O)C1C2([NH3+])CO,0,GDB ChEMBL
107053,NC12CC13OCC(NC2=O)C3O,0,GDB ChEMBL
305590,CC(CO)C[NH2+]CC1(N)COCOC1,0,GDB ChEMBL
330936,NC(=[NH2+])CC1CCC=CC=CCC[NH2+]1,0,GDB ChEMBL
207911,C[NH+]1C(CO)CC2(CCC2)C1CC=O,0,GDB ChEMBL
157440,CC1=CC(=O)C(C(C)O)C[NH+](C)C1,0,GDB ChEMBL
131628,CC1CC(CC(O)C(N)=O)C1,1,GDB ChEMBL
389445,CC(O)C1NC(=O)OC(=N)C2CN2C1=O,1,GDB ChEMBL
59672,C#CC1=CCC(C2CNC(=O)CCOC2)C1,0,GDB ChEMBL
314129,C[NH2+]CC1(CNCCC(N)=O)C[NH2+]C1,0,GDB ChEMBL
323953,CS(=O)(=O)CC1(O)COC1,1,GDB ChEMBL
297051,C#CC(C)(CCCC)n1cc(CC)cn1,1,GDB ChEMBL
220171,C#Cc1cc(F)ccc1NCC1(C#N)CC1,1,GDB ChEMBL
71452,CC12COC3CC1CC3CCC[NH2+]2,0,GDB ChEMBL
390504,COCCC(NC(=O)OC)c1nc(N)c(O)[nH]1,0,GDB ChEMBL
246784,CC[NH2+]C1(C)CC(C)(O)C1,0,GDB ChEMBL
148206,[NH3+]C(CO)C1NC(=O)CNCC(OC=O)C1O,0,GDB ChEMBL
209478,Cc1cc(I)cc(C)c1C1(C(C)C)CCC1,1,GDB ChEMBL
277732,CC1CC(C)[NH+]1CC(=O)[O-],0,GDB ChEMBL
331509,C#CC(C#C)C(C)(C(C)C)C([NH2+]C)C(O)C[NH3+],0,GDB ChEMBL
77303,CCc1c(N)[nH+]c(CCCOC(N)=O)[nH]c1=N,0,GDB ChEMBL
37622,CCC(C)(C)Cc1ncc[nH]1,1,GDB ChEMBL
378599,COC1CC(NC(N)=O)C(O)C(O)C1=O,1,GDB ChEMBL
305351,CC(C)[NH2+]C1CC(C)(C)C1,0,GDB ChEMBL
180789,Cc1ccc(Br)c2c1CCC([NH2+]C(C)(C)C)C2,0,GDB ChEMBL
26602,CCC(CN)N1C(=[NH2+])CC=C1C(O)C(N)=O,0,GDB ChEMBL
354449,N#CC1(C(=O)[O-])CCCN1,1,GDB ChEMBL
109718,NC(=O)C12CCC(C[NH2+]1)C2O,0,GDB ChEMBL
245820,CCc1cc2c(cn1)C=CCC[NH2+]C2,0,GDB ChEMBL
61825,COC(=O)C1C(O)C2NS(=O)(=O)C1CC2C#N,0,GDB ChEMBL
314125,C#CC(Cc1ccc(Cl)cc1)C1(C)CC1,1,GDB ChEMBL
355194,C#CC1(OC)C2C[NH+]3CCC(C)C3C21,0,GDB ChEMBL
161064,OCC1C=CC2C3CC[NH+]1CC23,0,GDB ChEMBL
382106,C=CC(O)C1C(C#N)CN1C(C)=O,0,GDB ChEMBL
199440,CC(C)C(=O)OC1C2CC3(CC3)CC21,1,GDB ChEMBL
140411,CC12CCOCC1N2CC1CCC1,0,GDB ChEMBL
48533,CCOC12CCOC(C1)C1(C)CC([NH2+]C)CC21,0,GDB ChEMBL
244613,NS(=O)(=O)C1OC1C1CCC[NH2+]CC1C[NH3+],0,GDB ChEMBL
341879,C#CC(NC)(C(=O)OC)C(C)[NH+]1CCCCC1,0,GDB ChEMBL
276126,O=C1CNC(=O)C2CN2C(C(CO)CO)C1,0,GDB ChEMBL
391723,CNC(N)=N[C-](C#N)C(=O)NC(N)=[NH2+],0,GDB ChEMBL
151194,CC(O)C(O)CS(C)(=O)=O,1,GDB ChEMBL
70787,CCCOC(=O)CCC(C)Nc1onnc1C,0,GDB ChEMBL
129411,CCC1CC(CCO)CC2C(C)C2C1,0,GDB ChEMBL
118858,CCC[NH+]1CC2CCC(C(C)C2)C1C[NH2+]CC,0,GDB ChEMBL
375994,COCCC([NH3+])C(C[NH3+])CC1CO1,0,GDB ChEMBL
299540,CCOC1CCNC(=O)C1OC=N,0,GDB ChEMBL
339028,COC12CNC(=O)C=CCC(C)CC1C2,0,GDB ChEMBL
376706,CC(=O)NC12CC=C(C)CC3C(C(O)C1)C32,0,GDB ChEMBL
325751,CC1CC2(COC2)OCC[NH2+]1,0,GDB ChEMBL
263497,NC(=O)CC1Cc2cc(I)ccc2N1,1,GDB ChEMBL
215349,CCN1CCCc2cc(O)c(C)cc21,1,GDB ChEMBL
201725,N#CC(Cc1onnc1N)[N-]C(=O)CO,0,GDB ChEMBL
120382,C[NH+](CC1COC1)C(CO)CC(C)(C)[NH3+],0,GDB ChEMBL
131903,C[NH+](C)C1CCC2C(O)C2C2(CO2)C1,0,GDB ChEMBL
172313,CC[NH+]1CC(O)CC2(C)C3OCC1C32,0,GDB ChEMBL
249529,N#Cc1cnc(CC2CC2)s1,1,GDB ChEMBL
9719,C#CC1C2CC(=O)C=C(C)CC(O)CC12,0,GDB ChEMBL
345738,CN(C)CC1C([NH3+])C1O,0,GDB ChEMBL
331735,CC(=O)N1C(=N)NC2(C)C(O)C2C1CC[NH3+],0,GDB ChEMBL
274079,CCC(C)C1C([NH3+])CCC2C=CCCC1O2,0,GDB ChEMBL
281795,O=C1CCC2C3CCC[NH+](CC4CC43)C2C1,0,GDB ChEMBL
277789,CCC1=CC2COCCC1C2(C)CC,0,GDB ChEMBL
280779,CCC1CN(C)C(N(C)CCN)=[NH+]1,0,GDB ChEMBL
24274,CC(C[NH3+])C(=O)OC1(C[NH3+])CCN(CCO)C1,0,GDB ChEMBL
80498,C=CC(=CCC=CCC(C)C)CC,1,GDB ChEMBL
236024,CCC1(C)CCC=CC1CC(C)CC(C)C,0,GDB ChEMBL
53669,CC1C2C(C[NH3+])C2[NH+](C)C1C(=O)[O-],0,GDB ChEMBL
318068,CC(C)CN(C=O)C(C)(C)c1cncc(O)c1,1,GDB ChEMBL
6141,CC1(C)NCC2(CO)CCC([NH3+])C1C(=O)N2,0,GDB ChEMBL
28218,C#CC(O)CCCc1nc(O)sc1C,1,GDB ChEMBL
112646,NS(=O)(=O)CC1C2OCC(CC(O)C1[NH3+])O2,0,GDB ChEMBL
71710,Cc1cc(Cl)cc(C2CO2)c1,1,GDB ChEMBL
10632,C1=CCCC([NH2+]C2CNC2)CC1,0,GDB ChEMBL
142350,CCC1(C)CC(C)C2C=CC([NH2+]2)C1C[NH3+],0,GDB ChEMBL
294450,COC1(C)Cc2n[nH]cc2C2CC2C1,0,GDB ChEMBL
132559,CC=CC=CC1(C(=O)OCC)CN1,0,GDB ChEMBL
216514,CC1=CC(C)N(C(=O)CO)C1,1,GDB ChEMBL
204563,CC1(C)[NH2+]C2CC=CCC1CC2O,0,GDB ChEMBL
201122,COC(=O)C(C)(N)C1(O)CC1,1,GDB ChEMBL
115549,CCCC(CO)OC(=N)C(O)C(O)C(=O)[O-],1,GDB ChEMBL
65913,C[NH2+]C12C(N)C1N(C)C(=O)C(O)C2C(=O)[O-],0,GDB ChEMBL
240019,COCC(=[NH2+])NC(CO)C(C)C,0,GDB ChEMBL
300479,CC[NH2+]CCC1OCC=C1CC,0,GDB ChEMBL
73297,N#CCCNC(=O)c1c(N)nnsc1=O,0,GDB ChEMBL
267932,CC1[NH2+]C2C(C([NH3+])CCO)C2C1O,0,GDB ChEMBL
387230,C=CCC(O)C1=C(C)C(=O)CC=C1,0,GDB ChEMBL
330958,N#CC12CCNC(=O)C(C(N)=N1)C(O)C2N,0,GDB ChEMBL
104668,[NH3+]CC1C(CC2CO2)NC(=O)C1O,0,GDB ChEMBL
109148,CN1C(=O)C(O)C(O)C([NH3+])C1CO,0,GDB ChEMBL
354571,C#CCCCC#CCCC(C)C(C)C,1,GDB ChEMBL
235592,C=Cc1cncc(CCC2CC2)c1,1,GDB ChEMBL
376981,C#CCCC1CC2CCCCC1(C)C2,0,GDB ChEMBL
74325,CC1=CCC(C[NH+](C)C)C=C(CO)C1,0,GDB ChEMBL
181529,CN(CCC(C#N)C[NH3+])c1ccc(Br)c(Br)c1,0,GDB ChEMBL
9739,CNC(=O)CC(C)C(=O)C(=O)C(C)(C)OC,1,GDB ChEMBL
141961,COC1C(=O)NCC1OS(N)(=O)=O,1,GDB ChEMBL
70863,[NH3+]C1C2C[NH2+]C(CCO)C12,0,GDB ChEMBL
221695,CC1[NH2+]C2(C)CCCC1(C)C2C,0,GDB ChEMBL
383080,CCCC(C)CC=C1C2CCC1[NH2+]2,0,GDB ChEMBL
114815,NC(=O)C1([NH3+])CC(O)(C2COC(=O)N2)C1,0,GDB ChEMBL
184514,Cc1cc(C#N)oc1C(C)C1CC(O)C1,0,GDB ChEMBL
356548,C[NH2+]CC1(CC[NH3+])CC1(C)c1cccs1,0,GDB ChEMBL
291915,CC1CCCC(=O)N2C(C)C12,0,GDB ChEMBL
171835,CCC1CCOC(C)(C(C)C)C[NH+]1C,0,GDB ChEMBL
369302,CNC(=O)NC(=O)C1C2C[NH2+]CC21O,1,GDB ChEMBL
76097,[NH2+]=C1CC2CCCCOC3CN1C23,0,GDB ChEMBL
227938,CC(=O)NC1C=C2CCCC=CC([NH3+])C1C2,0,GDB ChEMBL
122737,CC(C(=O)[O-])C1C2CCC3[NH2+]CC([NH3+])CC321,0,GDB ChEMBL
203240,C#CC12C=CC(C)(CCC)C1[NH2+]CCO2,0,GDB ChEMBL
61527,CCC(=O)NC(CC#N)C1OCC1(C)OC,0,GDB ChEMBL
9854,CNc1ccc(F)c(N)c1F,1,GDB ChEMBL
270092,Cc1oc([O-])cc1CCC(C)(C)CCCCO,0,GDB ChEMBL
165955,CC1CC(O)C2(COC2C[NH3+])C1,0,GDB ChEMBL
37293,CC(C)(C)COCC1C2CC([NH3+])CC12,0,GDB ChEMBL
375589,C=CCC(C)C(C)(CC)CC#CC,1,GDB ChEMBL
98547,CC(=O)OC1(C)CC2C[NH+]2C1,0,GDB ChEMBL
125575,CCC(C)CCC(C)C(C)C,1,GDB ChEMBL
349996,NC(=O)C1CC2(O)CC(C[NH3+])OC2C1C(=O)[O-],0,GDB ChEMBL
111479,CCC1CC2CC(OCCO)C(C)C(C2)C1[NH3+],0,GDB ChEMBL
176451,C#Cc1cc(C)c(C)c(C[NH3+])c1CC(C)(C)C,1,GDB ChEMBL
318100,C=CC(=O)CCC(=O)C(C)C(N)=O,1,GDB ChEMBL
230709,CCC1CC(C#N)CC2CN2C1,1,GDB ChEMBL
59608,C#CC([NH3+])C(c1cncs1)N(C)C(=O)CC,0,GDB ChEMBL
13114,NC(=[NH2+])NCC(CC(=O)[O-])NCC=O,0,GDB ChEMBL
17078,CCNC(=O)NC(=N)c1cn[nH]c1N,1,GDB ChEMBL
203277,N#CC1C(N)C(O)CC(O)C2COC(=O)CN12,0,GDB ChEMBL
240434,CC1(NC(N)=O)C[NH2+]C1CCO,0,GDB ChEMBL
141921,CNC(=O)CC(N)C1CNC(=[NH2+])N1,0,GDB ChEMBL
322815,N#CCC1(C(O)CCCC(=O)[O-])CNC(=[NH2+])N1,0,GDB ChEMBL
108679,CCC1C=CCN1c1ccsc1,1,GDB ChEMBL
201389,N#Cc1cc(=O)nc(CC(C#N)CN)[n-]1,0,GDB ChEMBL
81554,CCNC(=O)c1nc(C(=O)[O-])n(CCO)n1,0,GDB ChEMBL
11384,CCC(C)Nc1c(Cl)cc2ccccc2c1C,1,GDB ChEMBL
346487,CNc1cc2c(cc1Cl)CC1OCOCC21,0,GDB ChEMBL
162525,C#CC([NH3+])CCC[NH+]=C(N)CCC#N,0,GDB ChEMBL
263807,NC(=O)C(CCO)N1C=CS(=O)(=O)C1=O,1,GDB ChEMBL
309621,CC(=O)NC1C(O)C1c1ncon1,0,GDB ChEMBL
259562,CCCCC(CO)COCC,1,GDB ChEMBL
174794,CCC1CCCCC2=CC1CC21CCCC1,0,GDB ChEMBL
186617,CC1=CC[NH+](C)C(CC(C)C)(C(=O)[O-])C1,0,GDB ChEMBL
287012,CCCCC1CCCC2C1CC1C(CC)C21,1,GDB ChEMBL
152560,NCC(C(N)=[NH2+])C1CNC(=O)CC(=O)N1,0,GDB ChEMBL
335485,COC1C(C)CCCN(C=O)C1C=O,1,GDB ChEMBL
115592,CC(C)CCC1CC2(CO1)NC2C(N)=[NH2+],0,GDB ChEMBL
189852,CC(CC1CCCC1)C(=O)c1cc(Br)ncn1,1,GDB ChEMBL
379392,NC(=O)CC1C2NS(=O)(=O)C1C(O)CC2O,0,GDB ChEMBL
289835,CCC(O)CC12CC(C[NH2+]1)CC2C(C)[NH3+],0,GDB ChEMBL
238149,C#CCOC1(C(=O)C(C)(C)C)COC1,1,GDB ChEMBL
332654,Cn1c(N)nc([N+](=O)[O-])c1CCNC(N)=O,1,GDB ChEMBL
300232,CC=CC=C1C=CCC1[NH2+]CCO,0,GDB ChEMBL
228905,CC(NC(N)=O)C([NH3+])CC(=O)[O-],1,GDB ChEMBL
383098,CC(C)(C)C1CC2=CCCCCC1C2,0,GDB ChEMBL
338817,CN(C)CCS(=O)(=O)C(NCC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
359165,[NH3+]C1CN(Cc2n[nH]c(O)n2)C1,0,GDB ChEMBL
6044,NC(CO)=[NH+]CCNC=O,0,GDB ChEMBL
351432,CC1(C)CCOC1C(=O)c1cc[nH]n1,1,GDB ChEMBL
234395,Cc1c(C(=[NH+]C(C)C)N(C)C)c(C)n(C)c1C,0,GDB ChEMBL
105976,CC#CC1(C)OC(=[NH+]C)NCCC1C,0,GDB ChEMBL
70844,CC1C=C(C(=O)[O-])C[NH+]1CCO,0,GDB ChEMBL
363793,NC1=NC(CCO)COCO1,1,GDB ChEMBL
78318,C#CCC(CCCCC[NH3+])CN=C1CCCO1,0,GDB ChEMBL
70182,Cc1cnccnc(N)c(CC[NH3+])c(N)[nH+]1,0,GDB ChEMBL
28181,COC1C=CC2(C)N(C(=O)CO)C12C[NH3+],0,GDB ChEMBL
304120,C#CCCCC1CC(C(C)C)C2CC12,0,GDB ChEMBL
298967,NC(=O)C(O)C([NH3+])CC(O)C([NH3+])CO,0,GDB ChEMBL
44958,CC[NH2+]CC1C(C)C1CC(C)C,0,GDB ChEMBL
22857,C#CC1CC(CCC)C2(C)CCC(C)CC2C1,0,GDB ChEMBL
366951,CC(CO)c1cc([O-])n(C)n1,0,GDB ChEMBL
392235,C#CCc1cccc(C)c1Br,1,GDB ChEMBL
19422,Cc1nccc(F)c1C1([NH3+])C2C=CC1O2,0,GDB ChEMBL
315190,C[NH2+]CC1CCN2C=[NH+]C(CO)C12,0,GDB ChEMBL
71273,CC(O)CN1CC(OS(N)(=O)=O)C1,1,GDB ChEMBL
48765,N=C1NC(C(N)=O)C(CCO)S1(=O)=O,0,GDB ChEMBL
243747,CC1C[NH2+]C(CO)CC2(C1)C([NH3+])C2O,0,GDB ChEMBL
196714,CCC1(CO)NC(=O)CNS(=O)(=O)C1N,0,GDB ChEMBL
201733,CCOC(C)(C=O)CCC#N,1,GDB ChEMBL
358874,CC1C(c2c(F)ccnc2F)C1C(F)(F)F,0,GDB ChEMBL
334734,CC1OC2CC1C[NH2+]C2C(=O)[O-],0,GDB ChEMBL
258234,C[NH2+]CC(O)C(O)C1(O)C(C)OC(=O)C1N,0,GDB ChEMBL
120706,CC1C(O)CS(=O)(=O)NC1C(O)C(O)CO,0,GDB ChEMBL
383791,CC(C)NC(=[NH2+])CCC(=N)NC(=O)C[NH3+],0,GDB ChEMBL
81428,CCC1C(=O)NC(=O)C(=N)NC1C(=O)[O-],0,GDB ChEMBL
182230,NC1=NC(C(O)C(=O)C(=O)[O-])CO1,0,GDB ChEMBL
77817,COC1CCC(C)C2(C)C1C2C(F)(F)F,0,GDB ChEMBL
83043,CCCC12[NH2+]CC(OC)C1C2n1ccnn1,0,GDB ChEMBL
289435,C#CCC(C)(C)CC(=O)OC(C)C,1,GDB ChEMBL
244477,CC1(CO)OC(=O)N2C(CS(N)(=O)=O)C21,0,GDB ChEMBL
346515,CC#CC(CC(C)CC)C(C)C,1,GDB ChEMBL
355002,CCCCC1(CC)C(CC(C)C)C1(C)C,0,GDB ChEMBL
31759,C#CC(CC)C(OCC)C(C)C,1,GDB ChEMBL
150524,N#CC(CNC(=O)C(N)=O)NC(N)=O,1,GDB ChEMBL
354820,CCOC(C(C)O)C(N)C[NH3+],0,GDB ChEMBL
53653,CC(=O)NC(=O)C1C([NH+](C)C)C=CC12CO2,0,GDB ChEMBL
106606,CC#CC1[NH+]=C(C)N(C)CC1CC#N,0,GDB ChEMBL
312866,CNC1CN(CC(=O)[O-])C1(C#N)C(=O)[O-],0,GDB ChEMBL
175891,CC(CO)NC(=[NH2+])NC(=N)c1ccsc1,0,GDB ChEMBL
210223,CCCC(C)CC(CCC)C1CCC(C)CC1,0,GDB ChEMBL
255515,N#CC1CCCOC2CC2(C[NH3+])N1CCO,0,GDB ChEMBL
339102,Cc1c2cc(Br)cc1COCC[NH2+]CC2,1,GDB ChEMBL
286178,CN1C(=O)C2CC1COC2=O,1,GDB ChEMBL
278193,C[NH2+]C(C)CC1NC(=O)OCC2(N)C[NH2+]C12,0,GDB ChEMBL
260753,C#CC1Cn2cc(CCOC)cc2N(C)C1=O,0,GDB ChEMBL
75046,Cc1ccc(Cl)c(Cl)c1C#CCC(N)=O,1,GDB ChEMBL
249498,CC1C(=O)OCC(CO)C2C(C#N)CC(=O)N12,0,GDB ChEMBL
44306,CC1CC2CC[NH+]=C(N)NC2C1,0,GDB ChEMBL
163896,CC(C)(CO)C(=O)CC1CC[NH+]=CN1,0,GDB ChEMBL
378875,CCN1C(=O)C2CCC(=O)CC1C2(C)O,0,GDB ChEMBL
379165,CC(Cc1ccc(N)c(Cl)c1)[NH2+]C(C)C(C)C,0,GDB ChEMBL
12741,CCOC(=O)CC1CCC2CCCN2C(=[NH2+])C1,0,GDB ChEMBL
281982,CC1C2(C)CC[NH+](CC2)C2CCC[NH2+]CC21C,0,GDB ChEMBL
193812,CCC1(C2CCCC(C(C)C)[NH2+]2)CC1,0,GDB ChEMBL
89084,CCc1cc(C2CC2)ccc1O,1,GDB ChEMBL
43970,CC1CC(O)C2CC2CNS1(=O)=O,1,GDB ChEMBL
29494,CCC1CCCCC[NH+]2C(C)C12,0,GDB ChEMBL
208242,C#CC1C(C[NH2+]C)CC(CO)N2CC12C,0,GDB ChEMBL
296260,CCCC(=O)NC12CC(OC)OC(C)C1C2,0,GDB ChEMBL
33849,CCC1CCC[NH2+]C2(C)C(O)C12,0,GDB ChEMBL
353922,[NH3+]C1COC(=O)NC1C(=O)NC=O,0,GDB ChEMBL
346488,CC1(C)C2CC1C1CC(CCO)CCC=C12,0,GDB ChEMBL
101903,CC1CCC[NH+]=C(N)NC1C=O,0,GDB ChEMBL
74309,Nc1cc(C(=O)[O-])sccc(=O)nc(N)[nH+]1,0,GDB ChEMBL
388403,CC1C2CC(C(=O)O2)C2CC12,0,GDB ChEMBL
22030,CC1(C)[NH2+]CC1n1cccn1,0,GDB ChEMBL
244466,C[NH2+]CC1OC(=O)CC1(N)CS(N)(=O)=O,0,GDB ChEMBL
40274,Cc1ncnn1C(C=O)CCO,0,GDB ChEMBL
84470,Cc1cccc(C)c1C(C)C1CCC1(C)C,1,GDB ChEMBL
200588,Cc1c(N)c2cc(F)c3scnc3c2n1C,0,GDB ChEMBL
12792,CC[NH+]1CC(C)(O)C2(CC(C)[NH2+]C)CC12,0,GDB ChEMBL
273432,CNc1cn(C(C)CO)c(=N)c(C#N)c1C[NH3+],0,GDB ChEMBL
206787,CC1C2CC(C)(C)CC1C(C[NH3+])C2O,0,GDB ChEMBL
308731,C#CCC1(C)CC(O)C([NH3+])C1C(C)C(C)[NH2+]C,0,GDB ChEMBL
303308,CCCC(c1cnc(C#N)cc1Br)C(C)(C)C,0,GDB ChEMBL
231101,CN=C1OC(=O)C(C)NS(=O)(=O)CC1C,0,GDB ChEMBL
233903,CC(O)CNc1nc[nH]n1,1,GDB ChEMBL
177343,C=C(CC(CCO)C(C)O)C(N)=O,0,GDB ChEMBL
85064,CC1(O)CC2CC1(C=O)C(O)C2O,0,GDB ChEMBL
236717,CC(O)C1[NH2+]C2C(C[NH3+])C2C1O,0,GDB ChEMBL
308658,COc1nc(C2([NH3+])CCC2)cc(I)c1O,0,GDB ChEMBL
218846,NC(=O)NC(C[NH3+])C1COCC1(O)C(N)=O,0,GDB ChEMBL
249402,C#Cc1ncc(NC(C)=O)n1CC,1,GDB ChEMBL
210738,CCC1COC2C(C)C(C(C)C(C)O)CCC12,0,GDB ChEMBL
306307,CC=CC(C)C(O)CC[NH+]=CNC,0,GDB ChEMBL
26436,CCC1(C)C(C)[NH2+]C(C)(C)C2CC(C)C1C2,0,GDB ChEMBL
343265,N#Cc1cnc(N)c(F)c1[N-]S(=O)(=O)CN,0,GDB ChEMBL
54830,O=C1CCCOCC2CCN12,1,GDB ChEMBL
363170,CC1CC1CCCC1CC1CO,1,GDB ChEMBL
383737,CCC1=CC2C(C)CC(O)C2C1,1,GDB ChEMBL
180818,CC1CC2C(CC(C(C)(C)O)C1)N2C,0,GDB ChEMBL
381478,CNc1cncn2c(cc(N)c1C)CCC2C,0,GDB ChEMBL
361783,COC1C(O)CNC(=[NH2+])C(C)(OC(N)=O)C1O,0,GDB ChEMBL
396133,C[NH2+]C1C=CC(C(C)O)C1NC(N)=O,0,GDB ChEMBL
113477,C#CC(CC)C(=O)C1CCCCOCC1=O,1,GDB ChEMBL
161385,CN1CCC(C[NH3+])N2C(=O)CN=C12,0,GDB ChEMBL
234282,CC1CC2OC(OC2=O)C(O)C1O,0,GDB ChEMBL
120355,CC1CC2(C1)OC(C)C1(C)CN(C)C(=O)C21,0,GDB ChEMBL
375498,CC([NH3+])CC(C(N)=O)C1C([NH3+])C1O,0,GDB ChEMBL
9769,CCC1=CCCN(c2ccccc2I)C1,1,GDB ChEMBL
45991,CC[NH+]1CC2=CCCC3C(C1)C23,0,GDB ChEMBL
75401,C#CC(O)C1(C)CNC(=O)OC1,1,GDB ChEMBL
204189,C#CC1C2OC(C)C(CC(C(C)C)O2)CN1C,0,GDB ChEMBL
3933,CCCC1CC(=O)C2(CC2)C(=O)C(C)C1,1,GDB ChEMBL
119671,COCC1NC(=N)C(N)(C(N)=O)C1O,0,GDB ChEMBL
208605,N#C[C-](CC([NH3+])CO)C(=O)OC=N,0,GDB ChEMBL
243724,CCCCCCc1c(CCC)ccc(C)c1Br,1,GDB ChEMBL
221335,O=C1C(CO)CCC12CC2,1,GDB ChEMBL
124113,COCC#CC1NC1c1ccoc1,0,GDB ChEMBL
375442,CC1C(=O)N(C(=N)N)CCC1NC=O,1,GDB ChEMBL
176446,C[NH+]=CN(C)C(C)C(CCO)C1CCOCC1,0,GDB ChEMBL
132508,C=C1C([NH3+])C(CC(=O)[O-])C1C(N)=O,0,GDB ChEMBL
118710,NS(=O)(=O)C1C2C(C(=O)[O-])C(O)CCCN21,0,GDB ChEMBL
129397,[NH3+]C(C(=O)[O-])C1CC2NC(=O)C([NH3+])C21,0,GDB ChEMBL
97224,CC12C([NH3+])C(=O)NC1C2(CO)S(N)(=O)=O,0,GDB ChEMBL
391481,CCCC(NC(N)=[NH2+])C(N)=O,0,GDB ChEMBL
319777,COCCC(C)COC(=O)CO,1,GDB ChEMBL
354122,CC1(C(N)=[NH2+])CC2NC(=O)C1(O)C2C(=O)[O-],0,GDB ChEMBL
385607,CCC12CCC=C(C)CCCC1C2,0,GDB ChEMBL
273848,NC(=O)C(CO)N1CC1C([NH3+])CO,0,GDB ChEMBL
101002,COC1=NC(C(N)=O)(C(C[NH3+])C(=O)[O-])CN1,0,GDB ChEMBL
9823,CC(=O)C1CC(C)(C)C(O)C(CO)CC1=O,0,GDB ChEMBL
292315,CNC(=O)C1CNC(=[NH2+])C1O,0,GDB ChEMBL
245533,CCC1(C)C2C=CC1C(CC(C)OC)[NH2+]2,0,GDB ChEMBL
151174,Cc1cc(=O)cc[nH]c1=O,1,GDB ChEMBL
390112,CCC12CCC(CC1C)C(C)(COC)C2,0,GDB ChEMBL
216455,CCC1CC([NH3+])CC(C(C)(C)[NH2+]C)CO1,0,GDB ChEMBL
312242,C#CC(C)(C)Cc1cncc(Br)c1CCOC,1,GDB ChEMBL
261404,CCCC(CC(C)CC)C1(C)CCCC1,0,GDB ChEMBL
389596,CCCCC(CCC)OCCO,1,GDB ChEMBL
233441,COC1CNc2cc3c(n2C1)CC(C)(C)OC3,0,GDB ChEMBL
76765,CCc1c(CC2(C)CC2)ccc(C)c1C,1,GDB ChEMBL
107657,CCCC1CCC(C)C(CC(C)(C)CCC)C1,1,GDB ChEMBL
346968,C#CC1C(=C)C[NH+](C)C(C)CC1O,0,GDB ChEMBL
155145,CC1NC2CC(O)C2(N)C(=O)NC1=O,0,GDB ChEMBL
258720,CCC1CCCC1C(=O)C1N(C)C1(C)C,0,GDB ChEMBL
365761,NC(=O)C[NH2+]CCNc1cnnnn1,0,GDB ChEMBL
186669,[NH3+]Cc1cc(CCO)c([O-])c(Br)n1,1,GDB ChEMBL
35675,[NH3+]C1CNCCCS(=O)(=O)NC1,0,GDB ChEMBL
118873,COC1C(C)=CCC2CCC(=O)NC21C,0,GDB ChEMBL
53294,C#CC1C=CC(C[NH3+])CC(C)[NH2+]1,0,GDB ChEMBL
159893,C[NH+](CC(=O)N1CC1)C1CC(C[NH3+])C1,0,GDB ChEMBL
44356,CC1OC(CO)C(O)C(O)C([NH3+])C1N,0,GDB ChEMBL
130578,CC1[NH+]2CC(=O)N(C)C(=O)CC2CC1(C)C,0,GDB ChEMBL
247604,C[NH+](C)CC12CC=CN1C(=O)CCC2,0,GDB ChEMBL
47765,CCC(C)[NH+]1C2CC3C(C2)C31C,0,GDB ChEMBL
378147,CC(C#N)N=c1c[nH+]c(N)cc([O-])c1,0,GDB ChEMBL
319356,CN1CC(C(C)(C)CO)CC1=O,1,GDB ChEMBL
228495,COC1C2NCCNC1C2=O,0,GDB ChEMBL
391602,CC1[NH+](C)C2CC13OCC2C3O,0,GDB ChEMBL
345838,CC=Cc1cc(F)c(CC)cc1F,1,GDB ChEMBL
351386,C[NH+](C)CCC1CNC1(C#N)CC(N)=O,0,GDB ChEMBL
136160,COC(C)c1c(O)c(C)cnc(C[NH3+])c1=O,0,GDB ChEMBL
107662,CCCCOC(C)(C)CCC,1,GDB ChEMBL
240802,CC12C(=O)NC3CCCCC31C[NH2+]C2CO,0,GDB ChEMBL
298195,COC1C[NH+](C)CC2OC2C1O,0,GDB ChEMBL
124316,N#CCNC1C(CS(N)(=O)=O)C(O)C2OC12,0,GDB ChEMBL
23586,CC1(C)CCc2cc(F)c(F)cc21,1,GDB ChEMBL
250567,CC#CC(=CC(C)CC)CCCC,1,GDB ChEMBL
115913,CCC(CO)CC(C)(C)C(=O)CC#N,1,GDB ChEMBL
285558,CCC(C)C1Cc2c(Cl)cccc2CO1,1,GDB ChEMBL
161426,FC(F)(F)c1ccc(C2CCC2)cc1,1,GDB ChEMBL
191734,CC#CC1(O)CCC=C(C)C(C)(OC)C1,1,GDB ChEMBL
118156,CCCCCOCC(C(=O)[O-])C(C)(C)CO,0,GDB ChEMBL
109616,CCC1C2(C)Cc3cc(Cl)ccc3C1(C)C2,0,GDB ChEMBL
305796,C#CCc1cccc(C(C)(C)[NH2+]C)c1,0,GDB ChEMBL
368437,CCC1C[NH+]2CCC=CC3CC3C1CCC2,0,GDB ChEMBL
222097,CC1CCC(C)C(O)C(C)C(C)C1,0,GDB ChEMBL
396755,CC1=CCOC1(C)CCn1ccnc1,0,GDB ChEMBL
134735,CCC1(CO)C2CC(C)C([NH2+]2)C1C#N,0,GDB ChEMBL
31072,CC(=NO)C(NC=O)C(O)C(N)=O,1,GDB ChEMBL
140385,CC1C2Cc3c(Br)cccc3C(C)[NH+](C2)C1C,0,GDB ChEMBL
156539,CC1CC2CCC23C[NH2+]CCOC13,0,GDB ChEMBL
9977,C#CCCCC(C)OCCC,1,GDB ChEMBL
296640,COC1CCN2C(C)C12CO,0,GDB ChEMBL
124253,OC1CCC=CC=CCC1,1,GDB ChEMBL
202013,[NH3+]CC(O)C(O)Cc1nnnn1CCO,0,GDB ChEMBL
232089,CC(O)CNCc1nc(O)c(C=O)c(O)c1N,1,GDB ChEMBL
362698,CC1=CC(C#N)C2(CC2)C(=O)N1,1,GDB ChEMBL
242924,COCC[NH+]1CC(C)(C)CC(O)(C(F)(F)F)C1,0,GDB ChEMBL
243941,NC(=O)C(=O)C1NC(C=O)C1C(=O)[O-],0,GDB ChEMBL
208944,NCc1c[nH]c(C(=O)O)c1,1,GDB ChEMBL
150514,COc1nsnc1C(O)C[NH+]=C(N)N,0,GDB ChEMBL
352844,CCC1CCCC2CCC2CCC1,0,GDB ChEMBL
101933,C#CC(=O)c1cc(F)ccc1C1CCC(C)C1,1,GDB ChEMBL
368210,CC([NH3+])(CO)C(CCNC(N)=O)C(N)=O,0,GDB ChEMBL
179300,CCC1CC2=CCCCC(=O)C(C)C1CC2,0,GDB ChEMBL
383943,COc1cn(C)c2nc(C(C)=O)c(O)c(N)c12,0,GDB ChEMBL
217356,C#Cc1ccc2c(c1C[NH3+])C(C)(C)C(=NC)O2,0,GDB ChEMBL
304343,C[NH+]1CC2OC(=O)C=CCC23CCC=CC13,0,GDB ChEMBL
336027,CCOC(=O)C(C)(C1CO1)C1CC1[NH3+],0,GDB ChEMBL
76457,CC1(CO)OC(C(N)C(N)=O)C(O)C1O,0,GDB ChEMBL
382191,N#CC1OC(C([NH3+])CC(=O)[O-])C1N,0,GDB ChEMBL
207665,CCC[NH+]1CC2NC(=O)C1C2CC,0,GDB ChEMBL
280296,Cc1cnc(C)c(C(C)(C)C)c1Cl,1,GDB ChEMBL
157710,CCC(C)c1c(C(C)(C)C)cc(C)c(Cl)c1C,1,GDB ChEMBL
277400,CC1OC2CC1c1c(Br)ccc(O)c12,0,GDB ChEMBL
157405,CC=CC=CCC=C(C)CC(C)C,1,GDB ChEMBL
317563,CCCC(C)[NH+]1CC(C#N)(CNC)CC1C,0,GDB ChEMBL
225428,C#CCc1c(C(F)(F)F)ccc(I)c1CC,1,GDB ChEMBL
118351,C#CCC1CC(C)(C(C)C)C2C=CCCC12,0,GDB ChEMBL
380232,CC(=O)C1CCC(C)(O)CC1O,1,GDB ChEMBL
190802,CC(C[NH3+])CCC(O)C(C)NS(=O)(=O)C#N,0,GDB ChEMBL
239138,CC(=O)Oc1c(Br)c(Br)nc2c1C(C[NH3+])CC2,0,GDB ChEMBL
127175,CCC1(CO)C=CC[NH2+]1,1,GDB ChEMBL
81023,CC([NH2+]C1CC12NC(=O)CC2C)C(N)=O,0,GDB ChEMBL
88117,CCCCC#Cc1cnsc1C,1,GDB ChEMBL
186709,CC1CC2(C)CCC2C([NH3+])CC(CO)O1,0,GDB ChEMBL
369331,Cc1c(F)ccc(O)c1C[NH3+],1,GDB ChEMBL
292217,CC1C=CC(O)(C(F)(F)F)CC(=O)C1,1,GDB ChEMBL
20774,CCC1C2=CCC=CCC(C(=O)CC2)C1C,0,GDB ChEMBL
201997,CC1CC2CCCC=CC13OC3C2,0,GDB ChEMBL
79501,CC(C)CCCCCC1CC2CC2(C)C1,1,GDB ChEMBL
372479,CC(C)C(C)C(CO)C1(C)CCC(C(C)O)C1,0,GDB ChEMBL
12717,N#CC1CC2C(C[NH3+])C2CN1,0,GDB ChEMBL
268158,CCCCc1cnc2c(C)[nH]cc2c1,1,GDB ChEMBL
314145,CC1C=CC=CCCC2C3COCC3C[NH+]12,0,GDB ChEMBL
2138,CC(C)C1CC(C)(Cc2cccc(Br)c2)C1,1,GDB ChEMBL
335492,CCCC(C)(CCC(C)C)C1CC1C,0,GDB ChEMBL
228322,Nc1c[nH]c(NC2CCCCNC2=O)nc1=O,1,GDB ChEMBL
348692,CC(=O)N1C(=O)C(N)C(N)C1=O,1,GDB ChEMBL
46921,NC(=[NH2+])NC1C(=O)NC(=O)C=CC1O,0,GDB ChEMBL
17581,CC1C(O)CCC2CCOC(C[NH3+])C21,0,GDB ChEMBL
34991,C#CC(CC)C(C)(O)CC[NH2+]C,0,GDB ChEMBL
258238,CC(=O)C1(O)CC1N(C)S(C)(=O)=O,1,GDB ChEMBL
31296,CC12CC3N(C1)C32C(=O)[O-],0,GDB ChEMBL
101938,CCC1C2CCC(C)CC2C2CC12,0,GDB ChEMBL
273971,CC1C=CC2CCCCCC2C(C)C1,0,GDB ChEMBL
61296,OCCC[NH+]=CN1CC(O)C1,0,GDB ChEMBL
11412,NC(=O)CNC(=O)C(O)CO,1,GDB ChEMBL
144594,CC(C)CCC1(CCO)C[NH+](C)C2CC21,0,GDB ChEMBL
351163,COCC(O)C(=N)OC1CCC1,1,GDB ChEMBL
129386,CCC(CC)C(C(C)C)C(F)(F)F,1,GDB ChEMBL
89347,CC1COCC2(CCOC2)NC1=O,1,GDB ChEMBL
76423,CCN1C=[NH+]C2C(=O)OC(C1)C2C,0,GDB ChEMBL
133999,C#Cc1nc(CCC)c(Cl)c(=O)n1C(C)(C)C,0,GDB ChEMBL
44140,CCNC(=O)c1nccc(CC)c1C,1,GDB ChEMBL
337178,CCOC(C)CCCC([NH3+])C(C)(O)C1CN1,0,GDB ChEMBL
47683,CC1=C(CC[NH3+])C(C)CC(C)(C)NC1=O,0,GDB ChEMBL
143145,CCNC(=O)CC(NC=[NH2+])(C(C)C)C1CC1,0,GDB ChEMBL
259398,CC1CN(C=O)C(=N)C1NCc1csc(N)n1,0,GDB ChEMBL
389393,CCc1ccn(C)c1C(C)=O,1,GDB ChEMBL
18876,O=CC1(c2ccccc2)CC1,1,GDB ChEMBL
10985,C#CC1CCCCCC(C)C(C)CCC1(C)C,0,GDB ChEMBL
122002,CC#Cc1nc(C)[nH]c(=O)c1OCC,1,GDB ChEMBL
34151,CC(O)C1CC(C)([NH3+])C2(CO)CN2C1=O,0,GDB ChEMBL
8673,CC12OCC1CCC(=O)NC2C=O,0,GDB ChEMBL
41342,CC1COC(=O)N(C=O)CC1=O,1,GDB ChEMBL
244623,CCC1(CO)CC2(CC[NH2+]2)CCOC(=O)N1,0,GDB ChEMBL
20142,CC(=O)NC(N)=Nc1cc(=O)[nH]nc1[O-],0,GDB ChEMBL
77490,C=C1NC(=[NH2+])OCC(C)C1C(=O)[O-],0,GDB ChEMBL
47792,CCC(CC(C)C1C=CCC1)C(C)(C)C,1,GDB ChEMBL
157410,CCC1CC(CCCC(F)(F)F)=CC12CC2,1,GDB ChEMBL
67394,C[NH2+]C(C)CN1CC(C[NH3+])C1,0,GDB ChEMBL
354064,C#CCC(C)C(C[NH2+]C)N=C1NCCCO1,0,GDB ChEMBL
338987,CCCCCC1CC2OCCC2(C)C1CC,0,GDB ChEMBL
71431,CC1CC2N(C)CCOC23C(N)C13[NH3+],0,GDB ChEMBL
228342,CC1Cc2c(Br)cccc2C(C)C12CCCC2,0,GDB ChEMBL
124504,CCC(C)CC(C)C1C(CC)C1CC,1,GDB ChEMBL
35302,COC1CC(C(O)C([NH3+])C(N)=O)C1CO,0,GDB ChEMBL
13850,CCCC(C)C(CC)C1(C)CC1O,0,GDB ChEMBL
89695,CCN(C=[NH+]C)CC1CCOC(=[NH2+])N1,0,GDB ChEMBL
72424,CCC1CC2(C)CCCC(C)C2C1CC,1,GDB ChEMBL
296280,C=CC1C2CCCC(C2)C(O)C1C,1,GDB ChEMBL
246778,CC(C)(C)C1(C)CCC(CC2CC2)CC1,1,GDB ChEMBL
377823,CN(CC(O)C[NH3+])S(=O)(=O)CC#N,0,GDB ChEMBL
80483,Cc1ccc(Cl)c(C2CC3CC3C2)c1Cl,1,GDB ChEMBL
13120,Cc1c(C(N)=O)nc(N)n1C(=O)C[NH3+],0,GDB ChEMBL
277117,CC(=O)CN=C(N)OCC(=O)C1CC1,1,GDB ChEMBL
337390,Fc1cc2c(cc1F)CCCC2,1,GDB ChEMBL
377272,O=C1NCCC2OC2CCO1,1,GDB ChEMBL
78675,OC1CC(OC2CCCC2)CC12CC2,1,GDB ChEMBL
111549,CC12CCC3C(CC1CC(N)=O)C32,0,GDB ChEMBL
179468,N#CC1OCC(CCC(=[NH2+])N2CC2)[N-]C1=O,0,GDB ChEMBL
165240,CC(CCO)CC1CC1C(C)C#N,0,GDB ChEMBL
26837,NC(=O)CC(=O)NCC1(C=O)C=CC(=O)O1,1,GDB ChEMBL
114420,NS(=O)(=O)C1OC1C(CO)C(=O)[O-],0,GDB ChEMBL
255318,CC1(C)CCC(C#N)N1,1,GDB ChEMBL
306313,COC12CC(O)C([NH3+])C13C(=O)[N-]S(=O)(=O)C23,0,GDB ChEMBL
374902,[NH3+]CCC1COC2(CC(C[NH3+])C2)C(=O)O1,0,GDB ChEMBL
263447,CC1=C(CC(C)NC=O)C(=O)NCC1,1,GDB ChEMBL
375725,COCC([NH3+])CCCCC(C)C,0,GDB ChEMBL
110187,C#CCC1C2C=CC(C)C1C(C)(CO)C2,0,GDB ChEMBL
82185,COCC#Cc1nc(NC=N)c(N)cc1O,1,GDB ChEMBL
7357,CCC(CO)N1CC(N)=[NH+]CC1C(=O)CC#N,0,GDB ChEMBL
248653,CC(=O)N1C(=O)C2CC(O)C(C(=O)[O-])C21C,0,GDB ChEMBL
144636,CC1C(=O)C2CC1(CCO)CO2,0,GDB ChEMBL
4794,CC1C(O)C(=O)C(=N)N1CC#N,0,GDB ChEMBL
190794,C#CCCCC([NH3+])C1=NCC(CC(C)C)N1C,0,GDB ChEMBL
207364,CCCc1ccnc(CC(C)CCC)c1CO,1,GDB ChEMBL
191702,C#Cc1c(C)cc(CCC2CCCC2)cc1Cl,1,GDB ChEMBL
377767,COCCC12CC1C1CC(C2)C1(C)C,0,GDB ChEMBL
78658,CC1CC[NH+](C)CC2(C(C)C)CC12,0,GDB ChEMBL
123047,C#CC1CC(C)(C)CC(C)C1CC,0,GDB ChEMBL
177052,C#CC[NH2+]CCC1CC2(O)C=CC(O)(C1)C2,0,GDB ChEMBL
354608,O=CC1C[NH2+]C2CCCCC2C(C=O)C1O,0,GDB ChEMBL
121469,CN1C(CO)C(O)C2C(C)([NH3+])C21CC[NH3+],0,GDB ChEMBL
247512,CC12C[NH+](C1)C(CO)C2CC#N,0,GDB ChEMBL
304487,COC(=[NH2+])NCC(N)C(N)C#N,0,GDB ChEMBL
306386,CCC1CCC2C(OC(C)C)C(C1)C2(C)C,1,GDB ChEMBL
17512,CCC1NC(C#N)C2NC(=O)OC12,0,GDB ChEMBL
19429,N=C1NC(=O)C(O)C1N,0,GDB ChEMBL
307553,CCOCCC1CC(O)(CO)CC(C)C1[NH3+],0,GDB ChEMBL
43959,CNC(=O)C(=O)NC(=N)C(C)C(=O)[O-],0,GDB ChEMBL
380273,CCC[NH2+]CCOCC[NH2+]C,0,GDB ChEMBL
288488,CCOCC(C=O)CC[NH2+]C(C(N)=O)C(C)C,0,GDB ChEMBL
334029,CCC(C)C(C)C([NH3+])CC(C)[NH3+],0,GDB ChEMBL
291938,CN1CC[NH+]=CNC(=O)C1C(CCO)=N[O-],0,GDB ChEMBL
98865,NC(=O)C12C(O)C1[NH2+]CC2(O)CCO,0,GDB ChEMBL
398773,Nc1ccc2c(c1O)NS(=O)(=O)CC2,1,GDB ChEMBL
256165,N#CC1[N-]C(=O)C2CC2OC1S(N)(=O)=O,0,GDB ChEMBL
280736,CCCC1CCCCC(C)=CC12CC2,0,GDB ChEMBL
290152,CC(O)CC1C[NH2+]CC(CO)CN(C)C(N)=[NH+]1,0,GDB ChEMBL
304277,C[NH2+]CC1(C(C)C)OC(=O)CC(=[NH2+])N(C)C1C,1,GDB ChEMBL
245861,CC(=O)N(C)C1C(C(C)(O)C[NH3+])=CCC1O,0,GDB ChEMBL
174907,NC(=[NH2+])NC(C=O)Cc1csc(CO)n1,0,GDB ChEMBL
394904,CCC[NH2+]CC1(O)CC(C(C)CC)C1O,0,GDB ChEMBL
11729,CN1CC1S(=O)(=O)NC(CO)C(=O)[O-],0,GDB ChEMBL
77549,O=Cc1ccoccncn1,0,GDB ChEMBL
259144,CCN1C(=O)CCN(C)C1=O,1,GDB ChEMBL
70188,[NH3+]CC(O)C(=O)N1C2C=CCC21CO,0,GDB ChEMBL
349680,CC1=CCCC(C2=CC=CC2)CC1,0,GDB ChEMBL
357633,Cn1ccc2cc(I)c3c(c21)CC(C=O)CO3,1,GDB ChEMBL
192551,C#CC(Cc1c(Cl)cccc1Cl)C(C)(C)C=O,0,GDB ChEMBL
374322,CC(=O)NC(CC=O)C1(C(N)=[NH2+])CCCOC1,0,GDB ChEMBL
100681,CCCCC(C)(CC)C1C2(C)CCC1(C)CC2,0,GDB ChEMBL
350930,CC(=O)NC(=N)C(N)COC(N)=O,1,GDB ChEMBL
117459,C#CC1CCN2C3C[NH2+]C(C3)CC2CC1C,0,GDB ChEMBL
11002,C#CC1=CCNC(=O)NC1CO,0,GDB ChEMBL
228895,CCN1CCn2c(nsc2=O)C1=O,0,GDB ChEMBL
382080,OCCC1C2C[NH2+]C3CCC2C1C3,0,GDB ChEMBL
120825,[NH3+]CCC1(C(=O)[O-])[NH2+]C2CC21,0,GDB ChEMBL
318021,CCN1C(=O)C2C(O)CC1C1CC12CC,0,GDB ChEMBL
362605,CCC1(C(C)C)CNc2ccccc21,1,GDB ChEMBL
185296,C[NH2+]CC(OC1CCC1)C1C[NH2+]C1,0,GDB ChEMBL
320252,NC(=[NH2+])c1c(O)n[nH]c1Nc1cc[nH+]c(N)c1,0,GDB ChEMBL
873,CC1C2C[NH+](C)C1C1CC1O2,0,GDB ChEMBL
367779,COCC1(C)C2CC[NH+](C2)C(C(C)[NH3+])CN1C,0,GDB ChEMBL
260559,C=CC1C(C)CC2C3CC[NH2+]CC132,0,GDB ChEMBL
169471,COC1C=CCCC(=O)C=C1,1,GDB ChEMBL
386450,CCC1CC(O)CC[NH+]1CC(C)(C#N)CCO,0,GDB ChEMBL
35426,CC[NH2+]C(C)(COC)c1cc(C)ccc1O,0,GDB ChEMBL
50366,CNC(=O)OC(C[NH3+])Cn1cnnn1,0,GDB ChEMBL
330741,C#CC(CC1(CC)C[NH+](CCO)C1)[NH2+]C,0,GDB ChEMBL
22553,CCC[NH2+]C1C=CCCOC(CO)C1,0,GDB ChEMBL
262261,COC1CC2(O)C3NC(=O)C1NC32,0,GDB ChEMBL
321787,O=CCNS(=O)(=O)C1COC(C(=O)[O-])C1,0,GDB ChEMBL
246836,COCC1OC2CCNC(=O)C(C1O)C2OC,0,GDB ChEMBL
9728,CC1CC2CC[NH+]3C(C)C2C=CC13,0,GDB ChEMBL
118838,CCC1CC[NH+]2C(C)CCC12,0,GDB ChEMBL
50918,CC([NH3+])C(C)(C)[NH2+]CC1CC1,0,GDB ChEMBL
151689,C#CC(O)C1(C[NH3+])C(=O)NC(=O)CC1C,0,GDB ChEMBL
217154,N#CC(N)(CO)C1(OC(N)=O)CNC1,0,GDB ChEMBL
142405,NC1C(=O)OC=NC1CC(=O)[O-],0,GDB ChEMBL
273997,CCC1OC(C)(C)CN2CC12,1,GDB ChEMBL
248875,COC(=O)C1NC2C(C(=O)[O-])C(=O)NC2C1[NH3+],0,GDB ChEMBL
48141,CC#CCC(C)CCc1ccccc1,1,GDB ChEMBL
331195,NC(=O)OCC1CC(=O)C(=O)C1,1,GDB ChEMBL
186703,CC1CC2C(=O)C1C1C(O)CC(C2O)[NH+]1C,0,GDB ChEMBL
35341,CC([NH3+])C(=O)Nc1nc(C(N)=[NH2+])c([O-])s1,0,GDB ChEMBL
112900,CC1C2OCC3(O)C2CC[NH2+]C13,0,GDB ChEMBL
124533,CC1=C2CCCCCC2CC=CC1,0,GDB ChEMBL
324067,CCC1C2CC(C[NH3+])CC(C2)C1C,0,GDB ChEMBL
391726,COC1C(=O)NC2COC(C#N)(C2O)C1O,0,GDB ChEMBL
92835,CC(CC[NH3+])[NH2+]C1CC([NH3+])CC1C(O)C(=O)[O-],0,GDB ChEMBL
338263,CCC(C)(CC([NH3+])CN)C(CCO)OCC#N,0,GDB ChEMBL
378302,CS(=O)(=O)NC1C(N)C(O)C([NH3+])C1CO,0,GDB ChEMBL
317952,C#CC(CC)C(C)C(C)c1ccc(C)cc1Br,0,GDB ChEMBL
190841,CC1CCOC(=O)C(N)C2(C1)CN2C=O,0,GDB ChEMBL
23607,CCCC(C)C[NH+]1CCCC(C(C)C)C1,0,GDB ChEMBL
222091,CCC1C2C=CC1C1CC2C[NH+]1C,0,GDB ChEMBL
106621,CCOC1CC([NH3+])C(N)C(O)C1[NH3+],0,GDB ChEMBL
318015,CCc1c(F)cc2c(c1F)CCC=CC2,1,GDB ChEMBL
366516,CCC(=O)C#CCC[NH2+]C,0,GDB ChEMBL
281658,C#CC(C#CC)C(CCC)C(C)(C)C,0,GDB ChEMBL
41269,C#CC1CCCC(=O)CCC1,1,GDB ChEMBL
41307,C=CC=C(C)c1ccc(Cl)c(Cl)c1,1,GDB ChEMBL
80348,C#Cc1cc2c(Cl)c(C)ccc2cc1C,1,GDB ChEMBL
272508,CC(O)C1[NH2+]CCC2CC1CC2C=O,0,GDB ChEMBL
352696,CC(C#N)C1(NC(=O)CO)CC(C[NH3+])C1,0,GDB ChEMBL
132993,C=CCC1CCC=C(C)C(=O)C1C,0,GDB ChEMBL
120412,CC1CC=CC(=C2CCCC2)NC1=O,0,GDB ChEMBL
310997,Cn1ncc(CCOC(N)=[NH2+])c1C(O)C(=O)[O-],0,GDB ChEMBL
234442,CC1(C)CCC2CCCC3CCC(CC3)C1C2,0,GDB ChEMBL
188540,COC(=N)NC(=O)C(C(C)=O)C(C)CO,1,GDB ChEMBL
247176,CCC1CC2[NH2+]C1C(C)C2NC,0,GDB ChEMBL
22013,CC(CCO)C1CC1C1CC1,1,GDB ChEMBL
261326,CCc1c(O)cccc1OC,1,GDB ChEMBL
110265,CNc1nc(F)cc(CCC2CC2)c1C[NH3+],0,GDB ChEMBL
132456,CCCN(CC#N)CCOC1CCC(C)(C)O1,1,GDB ChEMBL
263200,C[NH2+]C1COC2C=C(CO)CC2C1,0,GDB ChEMBL
198852,C#CCCC(C)(C)C1CC=C(C)C1,1,GDB ChEMBL
151131,CC(=NO)C(CC(C)(O)CO)N(C)C(N)=O,0,GDB ChEMBL
355193,O=C1CCNc2ncsc2N1,1,GDB ChEMBL
319335,CC1[NH2+]C(C)C2(C)CC[NH+](CC2C)C1C,0,GDB ChEMBL
55495,CC#CCC1CCC=C(C)C1CCC,0,GDB ChEMBL
222096,CC1(C)CC2CCC=CCC(C)(C1)[NH2+]C2,0,GDB ChEMBL
38736,C#CCC1C2C[NH+](C)CC(C)C1(O)C(CC)O2,0,GDB ChEMBL
76068,C#CC(C)C(C[NH2+]C(C)(C)C)c1ccccc1,0,GDB ChEMBL
136083,CC(C)Nc1c[nH]c(CO)c1,1,GDB ChEMBL
171273,CC12C(O)CCC1C=CC1CCCC12,0,GDB ChEMBL
29229,CCC(O)CC1C(=N)OC1(C)CC[NH2+]C,0,GDB ChEMBL
376045,CC1CC(N)(C2NC(=[NH2+])NC2C(N)=O)CO1,0,GDB ChEMBL
216498,CC1=CCCCC2(C)C(=O)C=C(C)C2C1,0,GDB ChEMBL
228405,CNc1cn2c(C)cccc2nc1=O,1,GDB ChEMBL
119444,C#CCCC1=CCC(C)(O)C1,1,GDB ChEMBL
217375,CCC1C(=[NH2+])NCC1C(CC(F)(F)F)[NH2+]C,0,GDB ChEMBL
297003,CCC([NH3+])c1cc2c(cc1F)CC(C)([NH3+])C2,0,GDB ChEMBL
148914,C[NH2+]C(C(C)=O)C(C)(O)C1CC1,0,GDB ChEMBL
197436,C#CC(CC)[NH+](C)C1CC1,0,GDB ChEMBL
112067,NC1=[NH+]C(CC(CO)CO)CC(=O)NC=C1,0,GDB ChEMBL
104488,CCOC12C(O)CC(=[NH2+])NC1C2C[NH3+],0,GDB ChEMBL
209672,COC(=O)C1(C(N)=O)CNC1=N,0,GDB ChEMBL
161396,CC(CC1CCC2(CC1)CC2)C1CCCC1,1,GDB ChEMBL
76750,C#CCn1c(C)c[nH+]cc(C#C)cn(C)c1=O,0,GDB ChEMBL
210968,C#CCc1nc(OC)c(C2CC2)cc1I,1,GDB ChEMBL
23915,O=C1OCC(O)C(C(=O)[O-])C2CC12,0,GDB ChEMBL
148236,CCN1CC(O)C2(CC(C(=O)[O-])N2)C1=O,0,GDB ChEMBL
273442,NC(CNC1CC1)=[NH+]C1CC1C(=O)[O-],0,GDB ChEMBL
319329,O=CNCC(O)C(O)CO,1,GDB ChEMBL
358314,CCOC1(CC)C[NH2+]CC1=CC#N,0,GDB ChEMBL
356542,CC1OC2(COCC(O)C2[NH3+])C(C[NH3+])NC1=O,0,GDB ChEMBL
247380,CC(C)CCC1=CC(=O)C2CC12,1,GDB ChEMBL
286883,CC(=O)NC1CC(C)C2OC12,1,GDB ChEMBL
255085,CCCNc1[nH]nc(-c2cccs2)c1C(N)=[NH2+],0,GDB ChEMBL
61958,CC1[NH+](C)CC2CCOCC1(C)C2=O,0,GDB ChEMBL
118171,C[NH+]=C(C)N1CCOC2CC([NH3+])C(C1)C(O)C2,0,GDB ChEMBL
348470,CCC(O)C([NH3+])C(C(=O)[O-])C(N)C[NH+]=C(N)N,0,GDB ChEMBL
126819,C#CC1(CC)CC2CCC([NH+](C)C1)C(C)(C)C2,0,GDB ChEMBL
215350,CC(C)C(C1=CCC=CCC1)C(F)(F)F,0,GDB ChEMBL
317362,CC12OC(=O)C(C1CO)C2C(O)C(N)=O,0,GDB ChEMBL
345466,CC=CC=Cc1ncccc1C#N,1,GDB ChEMBL
217077,CC1([NH3+])C(NS(C)(=O)=O)C1(N)C(=O)[O-],0,GDB ChEMBL
57301,C[NH2+]C1C2COC(C(O)CO)C21,0,GDB ChEMBL
292287,CC1(C[NH3+])COCC(CO)N1,0,GDB ChEMBL
93115,C#Cc1cc2c(cc1C)C=CCCC2,1,GDB ChEMBL
337836,CC[NH2+]C1C(CC)CC(CC)C1[NH3+],0,GDB ChEMBL
112089,CCC1CC2(CO)C3CCCC([NH+]3C)C12C,0,GDB ChEMBL
164701,CC1C2CCCC(O)C12CO,0,GDB ChEMBL
99629,CCCC1Cc2cccc(=O)cc2CC1[NH2+]C,0,GDB ChEMBL
290284,CCNC(=[NH2+])c1cc(C)c2c(C)n(C)cc2c1,0,GDB ChEMBL
153265,CC(=CC(C)C)CC=CCC(C)C,1,GDB ChEMBL
195221,CC1C2=CCCC(=O)OC1CC2O,0,GDB ChEMBL
231103,COC1COCC2CC1C(C)[NH2+]2,0,GDB ChEMBL
398781,CCCC(C)CC1CCC1(CC)C(F)(F)F,0,GDB ChEMBL
328907,C=CC1(O)CCCOC1=NCC#N,0,GDB ChEMBL
235940,CC1CC[NH2+]CC2COCC1N2,0,GDB ChEMBL
161019,FC(F)(F)C1C[NH2+]CC2(CO2)C1,0,GDB ChEMBL
26962,COC1C2CC(C([NH3+])C(=O)[O-])C1[NH2+]2,0,GDB ChEMBL
362318,C#CC#Cc1cc(Cl)ccc1CC(C)=O,1,GDB ChEMBL
369883,[NH3+]CCCC1=NCC2(CO1)CC(CO)NC2=O,0,GDB ChEMBL
339005,C#CC(C)CC1COC(=O)C1C,1,GDB ChEMBL
181664,NC(=O)C(O)C(=O)OCC(=O)CO,1,GDB ChEMBL
269363,CC12CC(COCCCCC=C1CC#N)C2,0,GDB ChEMBL
34360,C=CCC(=CC(C=O)[NH2+]C)COC,0,GDB ChEMBL
112895,CNc1ncc(O)nc1C[NH3+],0,GDB ChEMBL
181118,CC(C)CC1CC(C(C=O)C(C)O)C[NH2+]1,0,GDB ChEMBL
187249,CNC(=O)OC1C2[NH+]=C(N)NC(C)C21,0,GDB ChEMBL
56661,CCC(C)Oc1cc(C[NH2+]C)c(=N)c(O)cn1,0,GDB ChEMBL
61310,Cc1c(F)ccc2c1CC(C)C2,1,GDB ChEMBL
61837,C[NH2+]C1C2COC1C1C(C#N)CC2C1(C)CO,0,GDB ChEMBL
17590,NC(=[NH2+])N1CC2C(C(=O)[O-])CC1C2[NH3+],0,GDB ChEMBL
323937,C#Cc1cccc(C#CC)c1F,1,GDB ChEMBL
377294,NC(=[NH2+])Nc1nccc(O)n1,0,GDB ChEMBL
294801,CC1CC(C(=O)OCC(=O)NCC=O)N1,1,GDB ChEMBL
271108,[NH3+]CCC1C([NH3+])CNC1C[NH3+],0,GDB ChEMBL
133202,CCc1cc(NC(C)C(C)C)cc(F)c1C#N,1,GDB ChEMBL
10586,CCCC1(C)CCCC2CCC(C)C1C2,0,GDB ChEMBL
176462,CC1([NH3+])CC([NH3+])C(=O)[N-]C(C#N)CC1O,0,GDB ChEMBL
81110,N#CC12[N-]C(=O)OC1C(O)(C(=O)[O-])C2N,0,GDB ChEMBL
120400,CCCCC([NH3+])C(C)C(C)C,0,GDB ChEMBL
148490,C=C1CC2CC1C(C)[NH2+]CC2CO,0,GDB ChEMBL
160071,CNC1(C)CNCC(C(N)=O)C(C)(O)C1[NH3+],0,GDB ChEMBL
319300,CC1CCC(C)(CCC2CC2)C2CCCC12,0,GDB ChEMBL
334736,C[NH+]1CCCC(O)(C(N)=[NH2+])C2CC2C1,0,GDB ChEMBL
209726,C1#Cc2ncccc2C2C3[NH2+]CC(CC1)C32,0,GDB ChEMBL
214903,CCC1CC2CC(C(C)C)C(C1)CC(C)(C)C2,0,GDB ChEMBL
392780,CC#Cc1c[nH]c(CCC)c1C,1,GDB ChEMBL
76736,CCC(CC)c1ccc(C(F)(F)F)c(F)c1,1,GDB ChEMBL
143522,CCC1CCCC2CCC(C)CC(C)CC2C1,0,GDB ChEMBL
289433,CCC(=O)N(C=N)C(N)=NC,1,GDB ChEMBL
48705,COC1CCCC2(C)C[NH2+]C12,0,GDB ChEMBL
330890,CC(=O)CCC#CC(C)(O)CC(C)(C)C,1,GDB ChEMBL
65952,CCC1[NH2+]CCC=CC=CCC12CC2,0,GDB ChEMBL
87104,CCC(C)C(CCCC1CC1)C(C)(C)C,1,GDB ChEMBL
351350,C=CC1C(C)C([NH3+])CC12CCCC2,0,GDB ChEMBL
85672,CCC(O)c1ccc(Br)nc1CC(C)[NH3+],0,GDB ChEMBL
2109,C#CC1=CC(CCCNC2(C#N)CC2)CC1,0,GDB ChEMBL
101912,Cc1cc(Cl)nc2c1CC([NH3+])(CC[NH3+])C=C2,0,GDB ChEMBL
81767,Cc1ccsc(CCO)c2c(cc1)C[NH+]=C2N,0,GDB ChEMBL
195478,CC1CC2(C(N)=O)C(C)C2[NH2+]1,0,GDB ChEMBL
92334,NC(=[NH2+])OC(CC(=O)[O-])C(O)C[NH3+],0,GDB ChEMBL
122669,CC(C)(Cc1ccc(I)cc1)CC1(C)CC1,1,GDB ChEMBL
266230,CCC1CC([NH3+])C(CCCC2(O)CCCC2)C1,0,GDB ChEMBL
34894,CCc1c(C)cccc(C(C)C)cccc1C,0,GDB ChEMBL
349951,C[NH2+]C(C)CC1CC(CO)C2(C1)CC2(C)C,0,GDB ChEMBL
222591,CCN(C=O)CC(CO)[NH+](C)C(C)(C)C,0,GDB ChEMBL
378574,C#CC(CNC(=O)C=C)C(N)=[NH+]C,0,GDB ChEMBL
29258,CC1NS(=O)(=O)CCCC(NC=O)C1(C)O,1,GDB ChEMBL
215394,C[NH2+]C(CC(C)[NH3+])C(C)OC=O,0,GDB ChEMBL
39758,O=C1NCC2CC2OC1CO,0,GDB ChEMBL
234502,N#CC1(N)CCC(C(O)C(=O)[O-])C1C[NH3+],0,GDB ChEMBL
4922,NC(C[NH3+])C1C2OCC(O)C1OC2=O,0,GDB ChEMBL
126910,CNc1c(O)nn(C)c1NC1C[NH2+]C1,0,GDB ChEMBL
210401,CCCC(=O)C1CC2C=CC1C2CC,1,GDB ChEMBL
166434,O=C1CCC2C(=O)NCC12,1,GDB ChEMBL
201998,CCCN(C)C(=O)NC(CC)C(O)C[NH3+],0,GDB ChEMBL
304587,C#CCCC(C(C)=O)C1CC1,1,GDB ChEMBL
131876,CC#CC1(C)CC1[NH+](CC)CC,0,GDB ChEMBL
98862,COCCC1(O)C2[NH2+]CCC([NH3+])C21,0,GDB ChEMBL
398886,C#CC1CC2CCC[NH2+]CCC1(C)C2,0,GDB ChEMBL
79238,CC1(C(O)CCO)COCC1[NH3+],0,GDB ChEMBL
296318,CC(C)CC1=CCC(C)C1=O,1,GDB ChEMBL
251812,NC(=[NH2+])C1CC2OC2C1C(=O)[O-],0,GDB ChEMBL
159697,CC(C)(CO)Oc1ccc(N(C=O)C=O)cn1,1,GDB ChEMBL
292730,Cc1ccc2c3c1CC1(CC1)C3(C)CCC2,1,GDB ChEMBL
102274,CCC1C2CCC1C(C)(CC(C)C[NH3+])O2,0,GDB ChEMBL
384852,C#CC1(C(C)(O)CCCC)C(N)=[NH+]CCC1C,0,GDB ChEMBL
218311,NC(=O)C(C=O)c1ccc(N)nc1O,1,GDB ChEMBL
47755,CCCC(C)CC1=CC(CC(C)C)CC1C,0,GDB ChEMBL
86698,CCC1CC2CCCC(C)C1C(C1CC1)C2,0,GDB ChEMBL
354982,CCCC1OC2(CO)CC[NH+](C)C1C(O)C2,0,GDB ChEMBL
332438,CC1NC(=O)C2(O)C(C)C12C[NH3+],0,GDB ChEMBL
190405,COC1C2OC(=O)C(N)C12CO,0,GDB ChEMBL
204321,CCC1(C)C=C(CO)CCC1,1,GDB ChEMBL
144608,CC1CCC2(C3CC[NH2+]C3)CCCCOC12C,0,GDB ChEMBL
366536,CC[NH+](C)C1(C[NH2+]C)CC2C([NH3+])C2C1,0,GDB ChEMBL
202835,N=C(NC(=O)C1OC1C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
96031,CC12CCCC[NH2+]C1(CC(=O)[O-])C(N)C(=O)O2,0,GDB ChEMBL
180976,CNC1=NCC(C(=O)[O-])CC12OC(=N)NC2=O,0,GDB ChEMBL
80318,N=c1scnc(C(=O)NCCO)c1N,0,GDB ChEMBL
377769,COC1CC([NH3+])C2CC2C1C,0,GDB ChEMBL
151747,CCC1(O)CC2CC3C(C[NH2+]2)C3C1,0,GDB ChEMBL
219525,CCC(C)n1cc(C)c(C)n1,1,GDB ChEMBL
141874,CNc1cc(CCOC)cnc1I,1,GDB ChEMBL
4765,CC1=CC2(COC(C)C)CC(CCO2)C1,0,GDB ChEMBL
112869,CC1CC(C#CC2CC2)CCC[NH2+]1,0,GDB ChEMBL
687,CC#CCOCCOC(=O)C(=N)N1CCC1,1,GDB ChEMBL
274405,CCC(C)CC1(C)C[NH+](C)C2CC2C1C,0,GDB ChEMBL
362665,CC(=O)NC1CC2OC(CC2[NH3+])C1O,0,GDB ChEMBL
398965,COC1C(C(C)CO)CCC=CC1(C)[NH3+],0,GDB ChEMBL
84197,CC[NH2+]CC1CN(C)CC(=N)N1C=O,0,GDB ChEMBL
74311,CCCC(COC)S(N)(=O)=O,1,GDB ChEMBL
48476,[NH2+]=c1cc([N+](=O)[O-])c([O-])ncc1C(=O)[O-],0,GDB ChEMBL
263866,[NH3+]CC1CC2(CO2)CC(=O)N1,0,GDB ChEMBL
21548,[NH3+]C12CC(O)c3cc(F)cnc3C1C2,0,GDB ChEMBL
122961,COC1CC(O)C([NH+](C)C)C2CC12C=O,0,GDB ChEMBL
246994,CCC([NH2+]C)c1cn(C(=O)COC)[cH-]c1=O,0,GDB ChEMBL
199477,NC1C(=O)OC2CC1CC2O,1,GDB ChEMBL
134442,CNC(=O)C(N)=NC(C)C,1,GDB ChEMBL
337981,N#Cc1onc2nc(N)n(CCC[NH3+])c12,0,GDB ChEMBL
365777,CCC1C2CC3CC(=O)C1C3(C)C2,0,GDB ChEMBL
284675,C#Cc1cccc(C[NH2+]C(CC)CCC)c1Cl,0,GDB ChEMBL
345782,Cc1c(Cl)cc(C(C)CC(C)C)cc1Cl,1,GDB ChEMBL
228320,CNC1C(=O)OCCC(C)C1[NH2+]CCCOC,0,GDB ChEMBL
255330,Cc1[nH]cc2c1CC([NH3+])COC2,1,GDB ChEMBL
151767,C#CCC1CN1C(C)CC,1,GDB ChEMBL
392511,CCC1C(O)CC(C[NH3+])(CCC[NH3+])CC1O,0,GDB ChEMBL
6072,NC(=[NH2+])NC(C(N)=[NH2+])C(C[NH3+])C1CCNC1=O,0,GDB ChEMBL
5225,Cc1ccc2oc(N)nc(C=O)cccc2c1,0,GDB ChEMBL
70047,CC1=CCC(=O)N1CCC(C)C,1,GDB ChEMBL
278109,CCC1NC(=O)CC12OCC1CC12,0,GDB ChEMBL
116007,N#CC1CNC(=O)CN=C(N)C(O)C(O)C1O,0,GDB ChEMBL
351414,N#CC1CN=C(CC(N)=O)N1,1,GDB ChEMBL
216493,CC1C2CC(C(C[NH3+])O2)N1C,0,GDB ChEMBL
136433,CCc1cn(CC2([NH3+])CCCC2)nc1C,1,GDB ChEMBL
391682,CCCC1CC2CC(C)[NH2+]C1CC2C,0,GDB ChEMBL
306333,CCC1(C)CC(C)C(C)CC1CCCC(C)C,1,GDB ChEMBL
215661,Cc1ccc(Br)cc1C1(C)CCCC1C,1,GDB ChEMBL
238197,C#CC#CC(NC(C)=O)C(C=O)CCO,0,GDB ChEMBL
286312,CCCC1C(O)CCCCC(C)(CN)[NH+]1CC,0,GDB ChEMBL
359186,CCCCN=C1CCC(=[NH+]C)NCCC(=O)O1,0,GDB ChEMBL
338005,C[NH2+]C(CN)C(COC)C1Cc2nocc2O1,0,GDB ChEMBL
263863,C[NH+]=C(N)CC(C=O)NC(N)=O,0,GDB ChEMBL
332365,Cc1c(CO)n[nH]c1C(=O)[O-],0,GDB ChEMBL
271121,Cc1nccc2cc(O)n(C)c12,1,GDB ChEMBL
138363,CC12CCNC(=O)C[NH+](C1)C1(C)CCOC21C,0,GDB ChEMBL
34220,CC(=O)OC1C2NC(=O)C(O)C21O,0,GDB ChEMBL
349472,CC[NH2+]CC1C2CC=CC=CC(C)C21,0,GDB ChEMBL
320253,C[NH2+]CCC1(O)C(CC#N)COC(CO)C1C,0,GDB ChEMBL
296625,O=C([O-])C(O)C1CN=C2CCS(=O)(=O)N21,0,GDB ChEMBL
77350,CCCC1CC2OCC(O)CC2(C=O)CC1=O,0,GDB ChEMBL
23575,O=C1NC2C=CC(CO)(O1)C1CC21,0,GDB ChEMBL
233959,C#CC1(C#N)NCCC(NC(N)=[NH2+])C1O,0,GDB ChEMBL
306408,Cc1cc(Cl)cc(N(CC(C)(C)C)C(C)C)c1,1,GDB ChEMBL
225053,C[NH+](C)CCC(O)C1=NC2CCNC2C(=O)O1,0,GDB ChEMBL
292720,CC1CCCC2C1CC1(C)CCCCCC21C,0,GDB ChEMBL
61899,CC#CC1CCCC=C(CC)CC1O,0,GDB ChEMBL
195546,CC(=O)N1C=CC(C)NC1=N,0,GDB ChEMBL
84924,C#CC(C(O)CO)C(C(=O)[O-])C(C)([NH3+])C[NH3+],0,GDB ChEMBL
207720,C#CCC12CCCC1CC(C)(C)CC2,0,GDB ChEMBL
385408,NS(=O)(=O)OC1CC[NH2+]CC2C[NH2+]C1C2O,0,GDB ChEMBL
254845,CC(=NO)c1cc(I)ccc1CC1CO1,1,GDB ChEMBL
96084,C#CCNC(=[NH2+])OCC(=O)NCC(C)=NO,0,GDB ChEMBL
148492,CC(=N)N1C(=O)C(=O)OCCC1(CO)CC[NH3+],0,GDB ChEMBL
338598,OCCC1C=CC(=NO)COC2CC[NH2+]C12,0,GDB ChEMBL
280610,[NH3+]CCNC(=O)c1snnc1C(=O)[O-],0,GDB ChEMBL
358534,COC(C(N)C(=O)[N-]C(=O)C#N)C([NH3+])C(=O)[O-],0,GDB ChEMBL
184905,[NH3+]C1CNC(=O)NC(=O)NCC(O)C1,0,GDB ChEMBL
141932,CCC1CCCC2CC3(N)C[NH+]2C13,0,GDB ChEMBL
84253,CC1([NH+]=C(N)N)C(=O)OCC1(O)CO,0,GDB ChEMBL
330935,CC1CC2CC(CO)CC2[NH2+]1,0,GDB ChEMBL
338500,CC1CC2C=CC(C3CCCC3)C1C(C)C2,0,GDB ChEMBL
130489,COCC(C)CC1OC1C[NH3+],0,GDB ChEMBL
321982,CNc1ccoc(=NCCOC)c1C,0,GDB ChEMBL
255325,C1#CC2C[NH2+]C(CCC[NH2+]C1)C2,0,GDB ChEMBL
325907,Cn1nc2cc(C#N)c(O)nc2c1N,1,GDB ChEMBL
105996,CC[NH+]1C2COCCC(C#N)CC1C2,0,GDB ChEMBL
247227,C=C1C(C2CC2)=C(C)C(=O)CC1O,0,GDB ChEMBL
272566,[NH3+]Cc1cnc(-c2n[n-]c(=O)o2)c(F)c1,0,GDB ChEMBL
280775,CNC(=O)CC(C(C)O)n1ncnn1,0,GDB ChEMBL
316292,CC1CCC=CCC2OC2(C)C(C)CCC1,0,GDB ChEMBL
1501,COC(=O)CC1=NCC(C(C)O)O1,1,GDB ChEMBL
216492,CNC(=O)C1(C)CC(O)C(O)C1C(N)=O,0,GDB ChEMBL
216160,CC1CCC2C(O1)OC(C[NH3+])C2O,0,GDB ChEMBL
37339,CC1=NCC2(CC2)N1C(N)=O,1,GDB ChEMBL
318561,[NH3+]C1C2C3CCC(O3)C12,0,GDB ChEMBL
274848,CC(=O)NCC1CC2C(C#N)OS(=O)(=O)N12,0,GDB ChEMBL
227767,C=CC(CO)C1CCCC=C(C)C1,0,GDB ChEMBL
255959,CCC1C=CC(C)(c2ccc(Cl)cc2Cl)C1,1,GDB ChEMBL
392709,N#Cc1cc(O)cc(-n2cnnn2)n1,1,GDB ChEMBL
60924,C#Cc1cc(Cl)ncc1C(C)C[NH3+],0,GDB ChEMBL
170407,CCCC([NH2+]C)C1C2CC=C(C)C21,0,GDB ChEMBL
230283,CC(=O)C1(C(N)=O)OC1C(C)O,0,GDB ChEMBL
258687,C[NH2+]CC1=CC(C)CC12CCCC2,0,GDB ChEMBL
134742,CC1C(O)CC2OC(=O)C1C21CCOC(=O)N1,0,GDB ChEMBL
334097,C=CCCCCC=C(C)CC(=C)C,1,GDB ChEMBL
337163,CCCCCC#CC1=C(C)CC(C)C1,1,GDB ChEMBL
308319,CC[NH+]1CC2CC1(CCC[NH3+])C2O,0,GDB ChEMBL
88164,Cc1cc2c(n1C(C)C1CCCC1)CC(C)O2,0,GDB ChEMBL
149373,NC(=O)CC(CO)C(=CCO)C[NH3+],0,GDB ChEMBL
246929,C=C1CC(CC)c2cccc(Cl)c21,1,GDB ChEMBL
37298,CC1C(C[NH3+])C(=O)OC1C([NH3+])c1cscn1,0,GDB ChEMBL
33546,CCOC1CC2CC3C[NH+]3C2C1,0,GDB ChEMBL
86717,CC1NC(N)=[NH+]C(CO)C1C(C)C(=O)[O-],0,GDB ChEMBL
38755,CC(CO)C1(C)C[NH2+]C1,0,GDB ChEMBL
347905,CCC1CNC(=O)OC1CC(=O)[O-],1,GDB ChEMBL
11357,[NH3+]C1C2OC(=O)CNCC(O2)C1O,0,GDB ChEMBL
132259,CC1CC=C(c2c(N)ccnc2Cl)C1,1,GDB ChEMBL
273644,CCc1ncn2nc(C)nc2c1S(N)(=O)=O,1,GDB ChEMBL
16007,COC(=O)[C-](C#N)C(O)CC(N)=[NH2+],0,GDB ChEMBL
21531,C#Cc1cc(F)c(F)c(C#C)c1C(F)(F)F,1,GDB ChEMBL
67819,O=CN(C=O)S(=O)(=O)CCC(O)CO,1,GDB ChEMBL
396084,N#CC1NCC2C(CO)C2C1O,1,GDB ChEMBL
34737,CC(c1cncc(CCO)c1Cl)C(C)(C)C,0,GDB ChEMBL
195235,CC1C2C=CCCC1N(C=O)C2C,0,GDB ChEMBL
127864,CCCC1CC2=C(CC[NH+]1C)C[NH2+]C21CC1,0,GDB ChEMBL
280620,CCCC1C2CCCCC1(C)C(O)C1OC21,0,GDB ChEMBL
245836,Nc1ccnn(CC(=NO)C(=O)[O-])c1=O,1,GDB ChEMBL
119902,CCC1CC(=O)C(C)(C(F)(F)F)COC1(C)C,0,GDB ChEMBL
358260,CCC1C=CCC1c1c(C)cccc1Cl,1,GDB ChEMBL
374007,[NH3+]C1C(O)C2NCCNC(C(=O)[O-])C1NC2=O,0,GDB ChEMBL
34451,CCS(=O)(=O)N(C(=N)CC[NH3+])C(=O)C[NH2+]C,0,GDB ChEMBL
207348,CC(=O)C1C=CCOC1C1CC1,1,GDB ChEMBL
277098,CN1CC(S(N)(=O)=O)C(O)C1C(=O)[O-],0,GDB ChEMBL
236760,CCOc1cc(I)c(C)c(O)c1N,1,GDB ChEMBL
360977,CCc1cc2n(c1)CC(CC)(C(C)C)C2,0,GDB ChEMBL
297269,[NH3+]CC#Cc1ccccc(=O)c1,0,GDB ChEMBL
198618,CNc1nc([O-])n(C)c(=O)n1,0,GDB ChEMBL
48177,CCCC(CCO)C(=N)OCc1ccn(C)c1,1,GDB ChEMBL
156147,C[NH+]1CC(O)C2C=CCC2(C)C1,0,GDB ChEMBL
347865,N#CC1(CO)C(=N)OC(=O)CC(C=O)[N-]C1=O,0,GDB ChEMBL
120696,C#CC1CCCC[NH+](C)CC2C(C)C12,0,GDB ChEMBL
99832,CC1CCC2CCCC([NH3+])COCCC(C2)[NH2+]1,0,GDB ChEMBL
288931,CC1C2OCOCCCC2C[NH+]1C,0,GDB ChEMBL
207324,C#Cc1c(N)cccc1CCC,1,GDB ChEMBL
354138,N#CC1CCC(C[NH3+])N1C(=O)C(=N)N,0,GDB ChEMBL
341204,C=C1CC(CC[NH3+])CC(=CC)C1C,0,GDB ChEMBL
222051,CC12CCC3CC1C2C(C[NH3+])C[NH2+]3,0,GDB ChEMBL
360825,[NH3+]C(CC1=CNS(=O)(=O)OC1)C(=O)[O-],0,GDB ChEMBL
47340,CCC1CC(C[NH2+]C)(Cc2cncs2)C1,0,GDB ChEMBL
54125,COC1CC2(C)CC3CCC2CC31,0,GDB ChEMBL
29487,CC(=O)OC1CCC(O)CC1(O)[C-](C#N)C#N,0,GDB ChEMBL
319315,CCC1CC2C(CN)[NH2+]C1C2C,0,GDB ChEMBL
190508,CCCc1cc(Cl)c2c(c1C)CC(CC)CC2,1,GDB ChEMBL
157423,C#CC(C)C1CCc2cc(C)c(O)cc2N1C,0,GDB ChEMBL
398867,CC([NH3+])Cn1cnc(NC=N)c1CO,0,GDB ChEMBL
38221,CCCC(CC)CCNC=[NH+]C,0,GDB ChEMBL
338336,CCC1C(C)CC=C2CCC(C)CC21,1,GDB ChEMBL
274005,CCC1C2CC2NCC2[NH2+]CCCOCC21,0,GDB ChEMBL
132455,O=C(CO)NCCC1CC(CO)OS(=O)(=O)N1,1,GDB ChEMBL
61711,CN1C(=O)C(NC=[NH2+])CCN=C1N,0,GDB ChEMBL
385664,C#CCCc1cc(C2CC2)c(F)cc1C,1,GDB ChEMBL
67584,COC(CO)C(O)CC(N)=O,1,GDB ChEMBL
155186,CC1C(O)C(=O)NC2CC(=O)C1(O)C2=O,0,GDB ChEMBL
380346,CC1CC2OC(C)C1C2(C)C[NH3+],0,GDB ChEMBL
277823,[NH3+]C1CCCC2CN3C(=O)CCC3C12,0,GDB ChEMBL
126906,CN(CCC1COCOC1)C(N)=[NH2+],0,GDB ChEMBL
230751,C=CC(=O)NC1C(N)C1(C)S(N)(=O)=O,0,GDB ChEMBL
191716,C[NH2+]CC(O)c1ccsc(C)ccc(C[NH3+])n1,0,GDB ChEMBL
337384,CC1CC(C)C2CCC1[NH+]2C,0,GDB ChEMBL
209676,C1=CC2CC(COC3CC[NH+](C1)C3)C2,0,GDB ChEMBL
94704,C#CC(C)C1C=CC[NH2+]CC1,0,GDB ChEMBL
6014,CC1C2COC1(C1OC(=O)CC1CO)C[NH2+]2,0,GDB ChEMBL
314116,C#CC(=O)OC(C)(C)C(=O)Nc1cnccn1,1,GDB ChEMBL
8756,CC(O)C1OC(C(=O)[O-])OC(CO)C1O,1,GDB ChEMBL
40435,CCCCC1CC2(C)CC2C1C(C)CC,0,GDB ChEMBL
87524,C[NH2+]Cc1cc(C)c(C(C)(C)C=O)c(O)c1N,0,GDB ChEMBL
22852,NC(=[NH2+])NCC1C(O)C2CC([NH2+]2)C1O,0,GDB ChEMBL
151071,CCC12CCN(C)C(=O)C1=C(N)C(=O)N2,0,GDB ChEMBL
269383,CN(CC1CC1[NH3+])S(=O)(=O)CC(N)C(N)=O,0,GDB ChEMBL
339035,C[NH+]1CCNc2nc([O-])[nH]c(=O)c2C1,0,GDB ChEMBL
34851,NC(=O)CNc1cnc(N)c(=O)[nH]1,1,GDB ChEMBL
305315,CC12CC1(CC(=O)[O-])OC(N)=N2,0,GDB ChEMBL
13158,CC([NH3+])C12C(C[NH3+])C1C(C(=O)[O-])NS2(=O)=O,0,GDB ChEMBL
268187,C=CC1C2CC3[NH2+]C2CN1CC3O,0,GDB ChEMBL
300158,N#CC12COCC(CN1)C2,1,GDB ChEMBL
18365,CC(C)(C#N)OC1=NCCCC(C)(C)C(=O)N1,0,GDB ChEMBL
109590,CCC(O)(C(C)=O)C(C)[NH2+]CC#CCO,0,GDB ChEMBL
4773,CC[NH2+]Cc1c(O)nc(N)n1C,0,GDB ChEMBL
24304,CN1c2c(C#N)n[nH]c2C(=O)NC(=O)C1CO,0,GDB ChEMBL
235651,CC(C)S(=O)(=O)CNCCCCCC#N,1,GDB ChEMBL
366549,CC(O)C(C)C1NC(=O)NC1C[NH3+],0,GDB ChEMBL
213987,CC(C)C1(C(C)C)C[NH+](C)CCCC(C)(C)C1,0,GDB ChEMBL
70809,CCOC(CNc1cc(=O)nnn1C)C(N)=O,0,GDB ChEMBL
173134,CN(C)C1CC(=[NH2+])NC1C(N)=O,0,GDB ChEMBL
149436,NC(=O)CC12NC(=O)NCC1(O)C2O,0,GDB ChEMBL
75871,CCC1C2CC(C)C1OC(C)C2C,0,GDB ChEMBL
53309,CC(=O)NCC([NH3+])C(O)S(=O)(=O)[O-],0,GDB ChEMBL
300973,CCC1(CCC(C)CC(F)(F)F)CCCCC1,1,GDB ChEMBL
47714,COC1C(C(=O)C=N[O-])C1N(C)CCC#N,0,GDB ChEMBL
101057,CCOC1C(O)C(O)CC(O)C(N)C1(C)[NH2+]C,0,GDB ChEMBL
339284,CC1[NH+]2CCC13CC2(C(=O)[O-])CO3,0,GDB ChEMBL
191661,CCCC1C(C)C2CC(OC)C[NH+]12,0,GDB ChEMBL
69570,C[NH2+]C1CCCC2CC1C(C)(NC=O)C2,0,GDB ChEMBL
190375,NC(=O)C(N)C([NH3+])CC1CCCOCC1CO,0,GDB ChEMBL
347017,CC(OCC(C)(C)[NH3+])c1cncc(C(N)=[NH2+])c1,0,GDB ChEMBL
153755,C#CCC1(C2CCNC(=O)CC2(C)C)CC1,0,GDB ChEMBL
254839,CC1[NH2+]CC=CCC=CC12CC2,0,GDB ChEMBL
28316,CC1CC(O)C[NH+]2CC(O)C(C2)O1,0,GDB ChEMBL
210948,C[NH2+]CCN1C(=N)OC2C(=O)NCC21,0,GDB ChEMBL
227734,O=C(NC1COC1)C(O)CO,1,GDB ChEMBL
245504,CCC(C)C(C)[NH2+]C1CC1N,0,GDB ChEMBL
299711,COCC(C)C(NC(N)=[NH2+])C(N)=[NH2+],0,GDB ChEMBL
185324,CC1C2CCOCC[NH+](C)C1C1(CCCC1)C2,0,GDB ChEMBL
37163,N=C(c1cn[nH]c1)N(C=O)C(=O)C(N)=O,0,GDB ChEMBL
347944,C[NH2+]Cc1nnc(NC(C)C(O)C[NH3+])s1,0,GDB ChEMBL
34817,CC(=O)NC1C2CC(C)(C)C1CC2(C)C,0,GDB ChEMBL
16528,CCc1ccc(F)nc1C1(C(C)[NH3+])CC1,0,GDB ChEMBL
388439,C=C1CCOCCC(C)(COC)C1,0,GDB ChEMBL
26973,CCC1CCC(C(C)C)=CC1C,1,GDB ChEMBL
258354,CC(C)CCC1OC(=O)C2C(C)C([NH3+])C(O)C12,0,GDB ChEMBL
124122,CCNC1=NC(C(N)=O)C(N)C(=O)N1C,0,GDB ChEMBL
161005,CC[NH2+]Cc1cc(O)c(OC)c(C2CC2)c1,0,GDB ChEMBL
187229,COCC(=N)N(CCC[NH3+])C(C)C#N,0,GDB ChEMBL
366486,C[NH2+]C(CO)C(C)(C)C1CCC1(C)C,0,GDB ChEMBL
231158,CC1CC(O)C(C#N)N=C(COC(N)=O)N1,0,GDB ChEMBL
305150,C#CC1OC(=O)CCN(C(=N)N)C(=O)O1,1,GDB ChEMBL
358503,COc1cc2c3c(c1Br)C(O)CC3[NH2+]C2,0,GDB ChEMBL
393527,[NH2+]=C1OCCCN1CC(C[NH3+])C(=O)[O-],0,GDB ChEMBL
195322,CCC1CCC(=CC[NH2+]C)CC1O,0,GDB ChEMBL
76918,CC1CC=CC(C#N)C12CC2,1,GDB ChEMBL
207398,CC(=O)CC(C)[NH2+]CC(O)C1=CC[NH+](C)C1,0,GDB ChEMBL
2994,CCC(O)CC(C)CCCNC(=[NH2+])CC#N,0,GDB ChEMBL
234236,O=C1NCC2C(CCO)C[NH2+]C12,0,GDB ChEMBL
18339,CC#CCc1cc(Cl)cc2c1CCC2C,1,GDB ChEMBL
2116,CNC(=O)OC1OC(C[NH+](C)C)CCNC1=O,0,GDB ChEMBL
130362,CN(CC(=O)[O-])c1nc2nonc2n1C,1,GDB ChEMBL
386179,CC1(C(N)=O)NCC(=N)OC(=O)C1C(O)CO,0,GDB ChEMBL
197061,CC1=CCC(CC2(C[NH3+])CC2)C1,0,GDB ChEMBL
85038,CC#CCC1(C(C)c2ccccc2Cl)CC1,1,GDB ChEMBL
196733,CC(C)C12C=CC(C1=O)N(C)CC2,0,GDB ChEMBL
51830,COc1cc2n(c1C)CCN2,1,GDB ChEMBL
320792,Cc1cc(I)c(Cc2ccco2)c(I)c1,1,GDB ChEMBL
389353,COCC1(C(O)C[NH3+])C([NH3+])C1(O)C(N)=O,0,GDB ChEMBL
99395,CC(NC(=O)C=O)C(CO)C(N)=[NH2+],0,GDB ChEMBL
244532,CC1CCC2C(O)C[NH2+]C12COC(N)=O,0,GDB ChEMBL
151728,N#Cc1ccc2c(c1O)C(=N)OC2=O,1,GDB ChEMBL
325266,CC[NH+](C)C1C=CC2(CCCC2)CC1(C)[NH3+],0,GDB ChEMBL
24028,CCC(C[NH2+]C)CC1CC2C([NH3+])C2(C)C1,0,GDB ChEMBL
118834,CC1(O)CC([NH3+])C(O)C(=O)OC1C(O)CO,0,GDB ChEMBL
383710,N#CC(Cc1nc(N)c(N)s1)NCC(N)=O,1,GDB ChEMBL
308680,NC(=[NH2+])C1(C(=O)CC(=O)CC(N)=O)COC1,0,GDB ChEMBL
140749,C=C1C=CC(C(C)CCC)[NH+](C)C1,0,GDB ChEMBL
320466,CCC(CO)NC(=[NH2+])COC,0,GDB ChEMBL
275509,CC(C)N1C=C2C=CC(COCC1=O)C2O,0,GDB ChEMBL
197067,CC1=CC(CC[NH3+])NCC([NH3+])C1CO,0,GDB ChEMBL
40918,CC1C(CO)CC2(C)CN12,0,GDB ChEMBL
177069,NC(=[NH2+])NCCNC(=O)C1NC1C[NH3+],0,GDB ChEMBL
283957,CCC1[NH+]2CCCC13C(C)C3C2,0,GDB ChEMBL
126970,CC1CCC(C)C1c1cc(Cl)c2c(n1)CCC2,0,GDB ChEMBL
174004,CC(=O)C1NCC[NH+](C)CC2CCC1(C#N)O2,0,GDB ChEMBL
99134,CCC1(C)CCc2c[nH]nc2NC1,0,GDB ChEMBL
148875,CC1CCC(S(C)(=O)=O)C1=O,1,GDB ChEMBL
372685,c1n[nH]c2c1C1CC1[NH2+]C2,0,GDB ChEMBL
148229,CC(O)CC1(C)CCC2CC([NH3+])CC21,0,GDB ChEMBL
58932,N#CC1Cn2cnc(N)c2C1O,0,GDB ChEMBL
255440,CCC(CC1CC1C1CC1)C(C)C,1,GDB ChEMBL
230747,C[NH+]=C(N)NCCc1cc(C)sc1N,0,GDB ChEMBL
119266,CCC1CCC2(CC(C)C)C(C)CCC12,0,GDB ChEMBL
112794,CCC#CC12CC(C1)OC(=O)C2C(N)=O,0,GDB ChEMBL
203794,C#CC(CC)c1cc(C)c(C)c(CC)c1F,1,GDB ChEMBL
23936,N#CC(O)C(O)CCOC(=O)CC(N)=O,1,GDB ChEMBL
271515,C[NH2+]CCN(CC#N)CC(O)(C#N)C(O)C[NH3+],0,GDB ChEMBL
325758,CC1NC(=O)C2N(S(C)(=O)=O)C2(C#N)C1O,0,GDB ChEMBL
111892,NC(=[NH2+])C1(CC(N)=O)COC(=O)C1,0,GDB ChEMBL
285555,COCC12CNC(=O)N1CCOC2=N,0,GDB ChEMBL
134458,CC(O)CNC1(C)CC(CO)C1C#N,0,GDB ChEMBL
33825,C#CCCC[NH+](C)C1CC2(C)CC2C1C,0,GDB ChEMBL
301529,C#CC(C)C(C)(C)[NH2+]CCC(C)C(=O)OC,0,GDB ChEMBL
197211,CC(=O)OCCN=COC(C)C,1,GDB ChEMBL
330743,CC1NCC2[NH+]=C(N)NCC1OC(=N)NC2=O,0,GDB ChEMBL
297294,CCCC(C)CC(O)(COC)C(C)CC,1,GDB ChEMBL
330055,CC1CCC=CCCOC1(C)C,1,GDB ChEMBL
271023,CC1(CC2CC2)C2CCCCC21,1,GDB ChEMBL
61743,C[NH+]1CC2CC1C=CC1=CC2OC1=O,0,GDB ChEMBL
62079,CCC(C)C1[NH2+]CC1(N)C[NH3+],0,GDB ChEMBL
399019,C#CC1(C=CC)CCCC(CC)C1,1,GDB ChEMBL
18913,C[NH2+]CC1N(C)C1(C#N)C(N)=O,0,GDB ChEMBL
302603,CC1(O)CC(C(=O)[O-])[NH2+]C2(C)C=CCC12O,0,GDB ChEMBL
64644,CC1OCCN2C(C(=O)[O-])C([NH3+])C12,0,GDB ChEMBL
109539,COC1C(C(C)C)C1(C)C1CC[NH+]1C,0,GDB ChEMBL
239145,CC1CN1C(=O)OC(CO)CS(N)(=O)=O,1,GDB ChEMBL
292253,CCCCOC(=O)CC(=O)[O-],1,GDB ChEMBL
171895,CC#CC1OC1C(C)CCC,1,GDB ChEMBL
160378,CCC1CC2CC[NH+]3CCCC23CCC1(C)C,0,GDB ChEMBL
124291,CC[NH+](C)C12CCCC(OC(C)=O)(C1)C2=O,0,GDB ChEMBL
352661,CN=C(NC(C)=O)OCC[NH3+],0,GDB ChEMBL
16767,CCC1C=C(c2cc(OC)ccc2I)CO1,1,GDB ChEMBL
26056,[NH3+]CC1C([NH3+])C(O)C1(O)CC(=O)[O-],0,GDB ChEMBL
386647,CC1CC([NH2+]CCNC(N)=O)CNS1(=O)=O,0,GDB ChEMBL
6494,C#CCC=CCC(CC)CCC=O,1,GDB ChEMBL
263157,CC[NH2+]CC(C)(C)c1c(F)cccc1F,0,GDB ChEMBL
239084,C#CC1CC(OC)CC1C(=C)CC,0,GDB ChEMBL
95587,C#CC(=N)N(CCOC)c1ccc(O)nc1F,1,GDB ChEMBL
340432,COCC[NH2+]Cc1cnoc1N,0,GDB ChEMBL
274937,CCC1(CC)CC(C)C(C)(CCC(C)(C)C)[NH2+]1,0,GDB ChEMBL
161070,C=CCC1(CC)CN(C(N)=[NH+]C)C1,0,GDB ChEMBL
299576,CCOCC1C(C)C(C)CCC(O)C1COC,0,GDB ChEMBL
93393,COCC([NH3+])COCCNc1ccon1,1,GDB ChEMBL
363563,CCCC(N)C(=O)OCC12CCNC1=[NH+]CC2,0,GDB ChEMBL
385425,Nc1nc(NC(=O)CC[NH3+])nc(=O)o1,0,GDB ChEMBL
281949,CCc1c(Br)c(N)nc(C)c1C#N,1,GDB ChEMBL
202822,C#CC1[NH+](CCC)CC(C(N)=[NH2+])C1(C)C[NH3+],0,GDB ChEMBL
6094,CC1C(O)C(C(C)N(C=O)CCO)C2CC12,0,GDB ChEMBL
18664,C#CC(=O)N(C(=O)CC)C(=O)CN,1,GDB ChEMBL
182143,COC1C2C(CC1C(F)(F)F)N2CC(C)[NH3+],0,GDB ChEMBL
133028,C1=CC2C(C1)[NH2+]CC1OCCC12,0,GDB ChEMBL
127015,[NH3+]C1C2CC=CCCC(C2)C1CO,0,GDB ChEMBL
201015,COC1(C[NH3+])C2NC(=O)C3(O)C(C)CCC213,0,GDB ChEMBL
95898,[NH3+]C(C(=O)[O-])C1OC(C(=O)[O-])C(O)C1O,0,GDB ChEMBL
389093,CC1(O)CC(O)C2(C(=O)[O-])C1C2S(N)(=O)=O,0,GDB ChEMBL
132212,CC(COC1CC1)c1ccsc1,1,GDB ChEMBL
27825,CC(O)CCC1CC=CC[NH2+]C1,0,GDB ChEMBL
268133,C=CCC1CC2CC(CCC)C1C2,0,GDB ChEMBL
289853,CC1C=CCC(CCC(F)(F)F)C1,1,GDB ChEMBL
230708,CC(=[NH2+])NCC1C2COC(=O)N12,0,GDB ChEMBL
277072,CCNC(=O)N1CC12CC(C)[NH2+]C2CO,0,GDB ChEMBL
284691,Cc1nc2c(n1Cc1ccsc1)C(=O)OC2,1,GDB ChEMBL
142378,CCC1OCCC(C)C1=O,1,GDB ChEMBL
383078,NC(=O)C(N)C1C(=O)NC1CC(=O)[O-],0,GDB ChEMBL
126836,CCC1(C#N)C[NH2+]CCCCN1,0,GDB ChEMBL
256162,N=C(CCC[NH2+]CCN)OS(N)(=O)=O,0,GDB ChEMBL
305085,CCC([NH+]=CNC)c1cc(N)nn1C,0,GDB ChEMBL
199047,C[NH2+]CCC(C)(C)CC(C)c1cc(C=O)c[nH]1,0,GDB ChEMBL
250602,CC1OCC2C1CC(=O)N1CCC(NC=[NH2+])C21,0,GDB ChEMBL
337149,OCc1c(O)ccc(O)c1OC1CC1,1,GDB ChEMBL
179165,COC1C([NH3+])C(O)C2OC(=O)C(N)C12,0,GDB ChEMBL
174679,C#CC(CC)C(C)C(OC)C(C[NH3+])C(F)(F)F,0,GDB ChEMBL
148167,NC1(CS(N)(=O)=O)CC(C(=O)[O-])C1[NH3+],0,GDB ChEMBL
62089,Cc1cc(OCc2cn(C)cn2)[nH]n1,1,GDB ChEMBL
374945,CC1OC(CNS(C)(=O)=O)C2(CO)OC12,0,GDB ChEMBL
161059,CCC1(c2cnnc(C)c2)OC1C(=O)[O-],0,GDB ChEMBL
396740,CC1CCC2C(C1)C1CC[NH+]2C(C)C1,0,GDB ChEMBL
360985,C#CCC1c2cccc(O)c2C2CC12C,0,GDB ChEMBL
98874,CCC(CC)C1CC2(CC)CCCCC2C1C,0,GDB ChEMBL
135398,Cc1cc(O)c(-n2nccn2)c(O)c1C#N,1,GDB ChEMBL
118393,Ic1ccc2cc1OCC=CC#CCO2,1,GDB ChEMBL
207280,CCC(C)C1([NH2+]CC(=O)[O-])CCC(C)(C=O)C1,0,GDB ChEMBL
301164,Cn1nnc(Cc2ccno2)n1,1,GDB ChEMBL
94651,CC(O)C1C(O)C(=O)OCC2CN21,0,GDB ChEMBL
2981,CC1CC2(CCNC2=O)CC[NH2+]CCCO1,0,GDB ChEMBL
136475,NC(=[NH2+])C1(CC[NH3+])N=C(N)NC1=O,0,GDB ChEMBL
127144,C#Cc1c(F)ccc(CC(F)(F)F)c1C,1,GDB ChEMBL
174209,CCCC1(C)C(C)CC2OC(C)CCC1C2C,0,GDB ChEMBL
95211,CCC1C2CC(CC=C2C)C1(C)CC,0,GDB ChEMBL
325220,Brc1ccc2ncc(C3CC[NH2+]C3)n2c1,0,GDB ChEMBL
93461,CCCC1CC=C(C)C2CCC(C1)C2,0,GDB ChEMBL
375733,CC(O)C(OC(N)=O)C1OC(=O)C(N)C1O,1,GDB ChEMBL
205772,CC#CC(C)(CC[NH3+])C(C)C,0,GDB ChEMBL
38760,COC1C(O)CC(C)CC1(O)C(N)C[NH3+],0,GDB ChEMBL
300444,C[NH2+]CC=C(C)C1C(=O)C=CC1C,0,GDB ChEMBL
255538,COC1CC(C)(C[NH3+])C2(CO)C[NH2+]C12,0,GDB ChEMBL
315204,CCC1(C)C2CCC[NH+](C2)C12C(C)CCC2O,0,GDB ChEMBL
177848,CNC1=[NH+]C(C)C(NC)(C(=O)[O-])CN1CC#N,0,GDB ChEMBL
342334,CCCC1(O)CC1C([NH3+])CC1CC1,0,GDB ChEMBL
261362,CCC1([NH3+])C(C#CC[NH3+])[N-]C(=O)C1C#N,0,GDB ChEMBL
317360,C#CCC(C)Nc1[nH+]cc(CC)cc(N)c1=N,0,GDB ChEMBL
225401,CCC1C(O)C(C)(CCC(=O)[O-])CC(=O)N1C,0,GDB ChEMBL
359171,CCN(C)CC1([NH2+]C)C=C(C)CCC1(C)C,0,GDB ChEMBL
126640,NC(=[NH2+])CC(=O)N1C(=O)C2CNCC1C(=O)N2,0,GDB ChEMBL
71680,CCc1occ(C(C)(C)CC)c1CC(C)C,1,GDB ChEMBL
44314,CC([NH3+])C1CC2C(C)[NH2+]CC12CO,0,GDB ChEMBL
262574,CCCC(O)(CC)C1([NH3+])C2NC(=O)OC21,0,GDB ChEMBL
288607,CCC(CC(C)NCC#N)OC=N,1,GDB ChEMBL
274943,CCC1CC(CC)(CC)CCN(C=N)C1=O,0,GDB ChEMBL
349510,Brc1cccc2c1CC1(CC2)CC2CC1C2,0,GDB ChEMBL
351376,NC(=O)NCC1CC(N)=[NH+]C12COC2,0,GDB ChEMBL
151712,CCC(C(F)(F)F)C1(C)CC1,1,GDB ChEMBL
97103,CNC(NC)=[NH+]CCOS(N)(=O)=O,0,GDB ChEMBL
280615,Cc1ncnn2cc(N)nc12,1,GDB ChEMBL
226272,C[NH2+]Cc1nc(O)ncc1CO,0,GDB ChEMBL
95154,CC[NH+]1CC(CO)C2C=C(CC2)C2CC1C2,0,GDB ChEMBL
151698,C=CC1CC2CC2(O)C(=O)C(=O)N1,0,GDB ChEMBL
141849,C[NH2+]C(C)(C)Cc1nc(OC)ncc1C,0,GDB ChEMBL
148730,CCC1c2cc(Cl)cc(Cl)c2COC1(C)C,0,GDB ChEMBL
376051,Brc1cnccc1CCC1CC12CC=CC2,0,GDB ChEMBL
290005,CC1(C(C[NH3+])(C[NH2+]CCO)CC(=O)[O-])CC1,0,GDB ChEMBL
50071,CCCC1C2CCCCCC2C2CCCC12,0,GDB ChEMBL
281815,CCCC1COC(C)CC1(C)[NH3+],0,GDB ChEMBL
346502,CC(=O)N1CC([NH3+])C2C([NH3+])C(O)(CO)C21,0,GDB ChEMBL
394359,CC1CC2(C#N)C(=O)CC(O)C2C1C(=O)[O-],0,GDB ChEMBL
53308,CCC[NH+](C)C1CC(OC(C)CO)C(C)([NH3+])C1,0,GDB ChEMBL
201002,Nc1cc(Cl)nc2c1NC(=O)C(=O)CNC2,0,GDB ChEMBL
144587,CCC1([NH+](C)C2CC3CCCCC3C2)CC1,0,GDB ChEMBL
115026,CC12CC([NH3+])C(O)C1N1C(=O)NCC1CCO2,0,GDB ChEMBL
88132,O=C1c2c([O-])noc2C2CCN12,0,GDB ChEMBL
8701,CC[NH+]=CNC1(C#N)CC1,0,GDB ChEMBL
234978,CC12CC(C(N)=O)CC(NCC1=O)C2O,0,GDB ChEMBL
285709,N#CC(O)C(N)C(O)C(O)COC(N)=O,1,GDB ChEMBL
332669,CC1=CCN(C=O)C2CCC(C)(C)C2C1,1,GDB ChEMBL
23452,CCC1(OCC(C)C)CC([NH+](C)C)C1,0,GDB ChEMBL
243335,CCC1CCCC2(C)C(C=O)C(C)CC12,0,GDB ChEMBL
259109,CCOc1ccc(C)c(Br)c1C1CCCC1C,1,GDB ChEMBL
6855,CC(=O)N(C)C1(C)C([NH3+])C2CC(C)[NH2+]C21,0,GDB ChEMBL
29206,NS(=O)(=O)OC1CC12CCC([NH3+])C(=O)N2,0,GDB ChEMBL
79286,CNC(=O)C1(C(C#N)(C#N)C#N)CO1,0,GDB ChEMBL
397959,C#CC1=CCCCC(C2CCCC2)C(O)C1,0,GDB ChEMBL
198845,COC1(CC([NH3+])CO)CCC1,1,GDB ChEMBL
192558,CC(C)CC[NH2+]C1CC2(C)C=CC1C(=N)O2,0,GDB ChEMBL
304467,CCCC1CC2OCC(=CCC[NH2+]1)C2(C)C,0,GDB ChEMBL
235546,CC1[NH2+]C(CC(=O)[O-])CC1NC(N)=O,0,GDB ChEMBL
204817,COCCCC1CN(CCC#N)CC(C[NH3+])N1,0,GDB ChEMBL
61980,[NH3+]C1CC2(C(=O)[O-])CC(O)C1O2,0,GDB ChEMBL
189989,CC(O)c1ccnc(I)c1CN1CCC1,1,GDB ChEMBL
318172,CC[NH+]1C2CC3C=C(C)CC1C3C2,0,GDB ChEMBL
94703,OCC1OCC(CC2(O)COC2)C1O,0,GDB ChEMBL
208310,CCC1(O)C(=O)NC=C1C(N)C#N,1,GDB ChEMBL
280757,C#CCC(C)(O)CCn1cc(I)ccc1=O,1,GDB ChEMBL
93745,CCNc1c(C)ccc(C)c1N,1,GDB ChEMBL
99119,CCCC1CC1(C)C(C)[NH2+]CCO,0,GDB ChEMBL
225365,CC1CC2(C)CC(C)C1C2CC1CCC1,0,GDB ChEMBL
304163,C[NH2+]CCC1CC1C(C)O,0,GDB ChEMBL
3008,C#CCC(C)C,1,GDB ChEMBL
341887,CC1=CC(=[NH2+])NC(C2CC2)C1,0,GDB ChEMBL
87086,CC[NH2+]C(C)CC#CC(=O)CC(C)C(C)C,0,GDB ChEMBL
380248,N#CCNC(=O)c1ccc(O)c(=N)s1,0,GDB ChEMBL
35726,CCCC1C(CC2CC2)C(C)C2CCCC21,1,GDB ChEMBL
246422,CC(=O)N(C=O)C(=O)CC(=O)[O-],1,GDB ChEMBL
325703,CC(O)C1C(C[NH3+])C(=O)NC2(C)CC2N1C,0,GDB ChEMBL
54095,CCC([NH2+]C1CC1)C(CC(N)=O)S(C)(=O)=O,0,GDB ChEMBL
378586,C#Cc1cccnc1C[NH2+]C,0,GDB ChEMBL
44112,CN1C(=O)C2C3CCC(O)C2C31,0,GDB ChEMBL
84922,C#CC(C)C([NH+](C)C)C1(CC)CCCC1O,0,GDB ChEMBL
248878,CC1CC2(CCCC(=O)C2)OCCO1,1,GDB ChEMBL
196711,C[NH2+]CCCC1C=CC(C)(C)C(C)(C)[NH2+]C1,0,GDB ChEMBL
133306,C[NH2+]CC1COCC(C2OC2C)C1,0,GDB ChEMBL
143842,COCC1(NC(N)=[NH2+])C2CC([NH3+])C(O)C21,0,GDB ChEMBL
264915,C#CCCC1(C)C=CC(CNS(C)(=O)=O)O1,0,GDB ChEMBL
131860,COC(=O)C1(C(C)(O)CO)CC(CO)N1,0,GDB ChEMBL
321436,CC#CC1(C)COC(=[NH2+])NC1C(N)C(=O)[O-],0,GDB ChEMBL
190229,CC1=CCC(C#N)C2CC1C(C)C[NH2+]2,0,GDB ChEMBL
21701,CCC(=O)C1OC2(C)CC1C[NH2+]CC2C,0,GDB ChEMBL
395168,COc1cc(C(C)(C)O)c[nH]1,1,GDB ChEMBL
285085,CC12CC1C(=O)NCC1[NH2+]CC12,0,GDB ChEMBL
264956,CCCC1CCC(C)(COCC#N)CC1,1,GDB ChEMBL
147435,O=C1CCCC2C3CC(O)C(O1)C23,0,GDB ChEMBL
260159,CCN(CC)C(C)C(C#N)(OC)C(C)[NH2+]C,0,GDB ChEMBL
385973,Nc1[nH+]c(CO)cc(NC2=NCCO2)c1CO,0,GDB ChEMBL
149419,CCCC(O)c1c(Cl)ccc(Cl)c1C(C)CC,1,GDB ChEMBL
32001,CCC1CC2(OC)CCC(C)(C)C1CC2(C)O,0,GDB ChEMBL
56677,CC(=O)NC1CN(C(N)=[NH2+])C1C(N)=[NH2+],0,GDB ChEMBL
119935,CCCOCC(C=O)C1CC1CC,1,GDB ChEMBL
47411,COCC(CC1CCC[NH+]1C)C(C)(C)[NH+]=CN,0,GDB ChEMBL
21465,CC(O)C1OCC23CC12CC(C(N)=O)[NH2+]3,0,GDB ChEMBL
369871,C[NH2+]C1(CO)C(C)(N)C1(C)N,0,GDB ChEMBL
274396,CC1=CC(C)CC(C2OC2C(N)=O)C1,1,GDB ChEMBL
131908,NC(=O)C1CNc2scc(C([NH3+])CCO)c21,0,GDB ChEMBL
366045,NS(=O)(=O)C12CC(C(=O)[O-])NC(=O)C1C2O,0,GDB ChEMBL
166441,Cc1c(CC[NH3+])cc(F)nc1CC1CN1C,0,GDB ChEMBL
10977,CC1=CC2(CN(CC[NH3+])C2)C2CC[NH2+]CC12,0,GDB ChEMBL
340408,CCC1CC(=O)NC1C1([NH2+]C)CC1O,0,GDB ChEMBL
366716,CCCC1CC(O)C=CNC(=O)C12C[NH2+]C2,0,GDB ChEMBL
174304,CC1(O)CC([NH3+])C(CC(=O)[O-])N(C=O)C1=N,0,GDB ChEMBL
386202,COC(=O)C1C(=O)C(C)(O)C(CO)C(=N)N1C,0,GDB ChEMBL
360962,C[NH+](C)CCC(=O)CNCC1(C#N)CC1,0,GDB ChEMBL
235907,[NH3+]C1CC#CCCOCC1O,0,GDB ChEMBL
328868,CCC1C2C=CCC(C2)C1CC[NH2+]C1CC1,0,GDB ChEMBL
112623,C[NH2+]C12CCC3C(=O)N4C(C)CCC4C1C32,0,GDB ChEMBL
191682,C#Cc1c(O)ccc(C#CCO)c1CCO,1,GDB ChEMBL
265528,CCC1CC(=O)OCC1NC(=O)c1nn[n-]n1,0,GDB ChEMBL
227542,N#CC1(N)C(NCCO)C1(N)C(=O)[O-],0,GDB ChEMBL
6073,Cc1cnn2c1C=CCC2,1,GDB ChEMBL
136422,CCOC=NC1(C#N)CNC(=O)C1,0,GDB ChEMBL
369899,CC1(C)CC1c1cnccc1Cl,1,GDB ChEMBL
9861,C[NH2+]CC(C=O)C(O)C(O)CCO,0,GDB ChEMBL
198680,CC[NH+](C)C1CC(C2([NH2+]C)CC2)C1,0,GDB ChEMBL
358578,CC(O)C1C2C(C[NH3+])OC(=O)N12,0,GDB ChEMBL
271543,C#CC(C)(C)CCc1c(C)cc(I)cc1CC,1,GDB ChEMBL
195418,CC#Cc1cc(C)n(CCC2CCC2)c1C,1,GDB ChEMBL
160041,CC1CCC=C(C2CC2)C[NH2+]1,0,GDB ChEMBL
340161,CCCC1C2C(CO)C2C2C1N2CC,0,GDB ChEMBL
330926,C[NH2+]CC1CC(C#N)C1O,0,GDB ChEMBL
89359,COC1C(=O)C(=O)CC1C,1,GDB ChEMBL
125600,CC1C(CC(O)CO)N1C(N)=[NH2+],0,GDB ChEMBL
386452,CCC1C2CCCCC(=O)C12,1,GDB ChEMBL
363158,CC#CC1NCC(=O)C12CCC2,0,GDB ChEMBL
247361,C[NH2+]C1CC2C([NH3+])C12C(=O)[O-],0,GDB ChEMBL
36160,CC1NC(C#N)CC1(C)C[NH3+],0,GDB ChEMBL
324039,N#CC(=O)C(CO)C(=O)N(C=O)CC1CC1,0,GDB ChEMBL
203797,CC1NCC(C(N)=[NH2+])S(=O)(=O)[N-]C1=O,0,GDB ChEMBL
230370,C#CCc1cc(I)c(OC)c(C)c1C,1,GDB ChEMBL
181627,NC(=[NH2+])CC([NH+]=C(N)NC1C[NH2+]C1)C(=O)[O-],0,GDB ChEMBL
385434,CC(CO)C1(C)CC2C(=O)CNCC2O1,0,GDB ChEMBL
259628,CN1CCC(O)(C(=O)[O-])CNC1=O,0,GDB ChEMBL
171279,CC(O)(CO)C([NH3+])C12CCCCC1OCCN2,0,GDB ChEMBL
195477,C[NH2+]C(CC=O)CC(CC=O)C(C)(C)O,0,GDB ChEMBL
169102,CC(O)C1NS(=O)(=O)C(N)CC1CC(=O)[O-],0,GDB ChEMBL
207685,COCCC1C[NH+](C)CC=C1C(C)(C)O,0,GDB ChEMBL
263249,NC(N)=[NH+]C1C(N)C1NC(=O)C([NH3+])CO,0,GDB ChEMBL
240440,CC([NH3+])CC1OCOc2cc(Cl)c(N)cc21,0,GDB ChEMBL
4954,CCC1=[NH+]C2CC(C)(NC(C)=O)C(CO)C2N1,0,GDB ChEMBL
130456,NCC(=[NH2+])N(CCOC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
96062,COC1(CC(=O)[O-])C(O)C2(O)C[NH2+]CC21,0,GDB ChEMBL
388246,CC1=CCC(C)(CO)CCC=CC1,0,GDB ChEMBL
337381,C=CCC(C)C=CCC#CCCC,1,GDB ChEMBL
62810,CC1CC2C3CC3C[NH2+]CC[NH+]2C1,0,GDB ChEMBL
127478,CCc1cc(C(O)CC)c(CO)s1,1,GDB ChEMBL
116046,Cc1cc(C=O)n(C(N)=O)c1,1,GDB ChEMBL
11707,C[NH2+]CC1(N)COC(C#N)C1CC(C)(C)O,0,GDB ChEMBL
354332,CN1CCC(=O)NCC(C=NO)OC(=O)C1,1,GDB ChEMBL
277408,COCC1(CO)CC1(C)C(N)=O,1,GDB ChEMBL
13905,CC1C(C(=O)[O-])OC(=N)NC(=O)N1C,0,GDB ChEMBL
214914,C[NH2+]C1CC(OCC(N)=[NH2+])OC(C)C1O,0,GDB ChEMBL
190516,CCOCC1CCC2(C1)C(=O)C1CC(C)[NH+]2C1,0,GDB ChEMBL
243762,COCC(C)CC1CC2NC1(CC[NH3+])CC2[NH3+],0,GDB ChEMBL
181400,COC1(C)CC2CC3CC3[NH2+]C2C1,0,GDB ChEMBL
387313,CCNc1ncccc1O,1,GDB ChEMBL
292517,CCC1C(CN)[NH2+]C2CC21C(=O)[O-],0,GDB ChEMBL
277741,CCC(O)CC1(O)CCCC([NH3+])C1,1,GDB ChEMBL
159693,CC1=C(C#N)CN(CCO)CC12CC(C)C2,0,GDB ChEMBL
318809,C#CC(C[NH2+]C)NC1CCC(C)C(C)C1,0,GDB ChEMBL
339979,CCC(O)CC(C1CC[NH2+]1)C(C)(O)C(C)=O,0,GDB ChEMBL
85690,CC(=O)c1cc(N)cc2snnc12,1,GDB ChEMBL
17439,CCCC1CCC2C(C(O)CO)C12,1,GDB ChEMBL
386651,C#CC1(O)CCC[NH+](C)C(C(C)C)C1CC,0,GDB ChEMBL
281653,CCC1(C[NH3+])C2CC(C)C(CC#N)C21,0,GDB ChEMBL
274952,CC(C)(C(=O)[O-])C(O)C1CC2CC2C1,0,GDB ChEMBL
119873,CCC1C2CC(C[NH2+]2)C2C(C)CCCCC12,0,GDB ChEMBL
304837,C#CCC#CC1(CC(C)C)CCCCC1,1,GDB ChEMBL
161020,C#CCCCC1(C)C(CC)CC(C)C1(C)C[NH3+],0,GDB ChEMBL
31063,CC(C)C1(O)CCc2nccn2C1,1,GDB ChEMBL
221364,CN1C(C[NH3+])C=CCCS1(=O)=O,0,GDB ChEMBL
151050,COc1cc[nH]c1C([NH3+])C(C)N(C=O)C=O,0,GDB ChEMBL
102178,C=C1CC(C(F)(F)F)CC1C1CC1,1,GDB ChEMBL
186741,NC(=O)CC(O)c1n[nH]cc1CC1([NH3+])CC1,0,GDB ChEMBL
331449,CC1CN(C=O)C2CC(C(=O)N1)C2(O)C=O,0,GDB ChEMBL
253595,NC(=O)NC1C(=O)C=CC1O,1,GDB ChEMBL
366942,CC1CC2(O)CC1(C)C[NH2+]CC2C(N)=O,0,GDB ChEMBL
349673,CC(C)[NH2+]C1CC(C)(C)CC1C,0,GDB ChEMBL
18870,C1C[NH+]2CCC1CC21CC1,0,GDB ChEMBL
25240,COC1CC(C)S(=O)(=O)[N-]C1=O,0,GDB ChEMBL
338998,CC(=O)N1C(C(=O)[O-])C1S(C)(=O)=O,0,GDB ChEMBL
13151,O=C([O-])CC1(O)C(=NO)C2CCC1[NH2+]C2,0,GDB ChEMBL
303342,Cc1cc2n(n1)C(C)CC(NCC[NH3+])C(=[NH2+])N2,0,GDB ChEMBL
252307,CCCC12CN1CC[NH+]1CCCC2C1,0,GDB ChEMBL
27911,Ic1cnc2[nH]ccc2c1,1,GDB ChEMBL
350002,CC(=O)NC1C2[NH2+]CC1(N)C([NH3+])C2C(C)O,0,GDB ChEMBL
189889,CC1CCC(C)[NH+](C)CC(O)(C(C)[NH3+])C1O,0,GDB ChEMBL
313766,C=CCC(C)C(C)C(CC)C(C)C,1,GDB ChEMBL
349928,CN1C(=O)C2C3CC(O)C1C([NH3+])C32,0,GDB ChEMBL
210182,CC([NH2+]C1CCC1)C1CC=C(C=O)C1,0,GDB ChEMBL
73242,COCC(N)C1C(C(N)=O)N1C(N)=[NH2+],0,GDB ChEMBL
203107,CC1C2C[NH+]1C(CCO)C2O,0,GDB ChEMBL
41612,Cc1cc(C)c2c(c1)C(C)(C)CC(C#N)C2,1,GDB ChEMBL
334769,CCCc1nc(=O)n(CCO)c(=N)n1CC#N,1,GDB ChEMBL
390526,C#CC[NH+](C)C1CC2NC(C1)C2[NH3+],0,GDB ChEMBL
209886,CC1OCC2C(O)CC1C2C[NH3+],0,GDB ChEMBL
95226,NC(=O)C1CN=C(C2CN2)OC(=O)C1,0,GDB ChEMBL
250552,CS(=O)(=O)[C-]1C(=O)NC(=O)C(O)C1O,0,GDB ChEMBL
140848,C#CC1CCC(C)=CC(=O)N1,1,GDB ChEMBL
121754,CC1OCC(CC(N)=O)C1NC1C[NH2+]CC1O,0,GDB ChEMBL
41275,CCCc1nc(=O)nc(CO)n1C,1,GDB ChEMBL
130848,CCC(C)CC1(C)CC(C)[NH+]2CC2C1,0,GDB ChEMBL
346498,CC1C2CC([NH3+])C(NC(=O)O2)C(C(N)=O)N1C,0,GDB ChEMBL
190309,CCOC1C(C[NH3+])C1C(C)O,0,GDB ChEMBL
290179,CC1=C(C[NH+](C)CC2CC2)C(=NO)CN1,0,GDB ChEMBL
275684,C#CC1CN(C)C(=O)NCC(=O)N1,1,GDB ChEMBL
358531,C=CCC1C#CCCCCCC1[NH3+],0,GDB ChEMBL
255084,CNC(=O)C1(CN)COC(N)=N1,1,GDB ChEMBL
244619,CC1=CCOC(=O)C1C1([NH3+])CC1,0,GDB ChEMBL
336065,CC(=O)OC12CC([NH3+])C(C1)C1CC12,0,GDB ChEMBL
220169,CCC(=O)CCC(C)C1CC(C)(C(C)C)CO1,0,GDB ChEMBL
181385,C#CC[NH+]1CCC2C3CC=CC(C3C)C2C1,0,GDB ChEMBL
300173,CC1CNc2noc3c2N(C(=O)C3)C(=O)OC1,0,GDB ChEMBL
374355,CCC(C)C1C2C[NH2+]C(C)(CCC1(C)C)C2,0,GDB ChEMBL
104724,CCC(=O)NC(=O)Nc1coc(=O)nc1N,0,GDB ChEMBL
10599,CC1CC2(C)Cc3c(Br)cccc3C(CN2)[NH2+]1,0,GDB ChEMBL
286285,CS(=O)(=O)NC12C(O)CCC1C2[NH3+],0,GDB ChEMBL
99070,[NH3+]C(CC(=O)[O-])c1cncs1,1,GDB ChEMBL
29662,CC1OC2CCC(=O)C2[N-]S(=O)(=O)CC1O,0,GDB ChEMBL
20758,Nc1nc(NC=O)nc(N)c1C[NH3+],0,GDB ChEMBL
187259,CC1=CC=CC2CC(C)C[NH+](C)C12,0,GDB ChEMBL
230696,CN(C)c1nccc(S(N)(=O)=O)n1,1,GDB ChEMBL
111471,CCC1(OCC#N)C(C)NC2C[NH2+]CC2C1O,0,GDB ChEMBL
361757,N#CCC1(N)CCN(C(=O)CC(N)=[NH2+])C1=O,0,GDB ChEMBL
215819,CC(C#CC12CC(C1)[NH2+]CC2N)CC(=O)[O-],0,GDB ChEMBL
118107,CCC(=O)COCc1cc(O)n(CC)c1,1,GDB ChEMBL
34918,CC1CC[NH+](C)CC1C1CC2C[NH+]1C2,0,GDB ChEMBL
99829,CCNC(=O)C1(C)[NH2+]C(CC)C1CC#N,0,GDB ChEMBL
77753,CC1=CC(CNC=O)(C(=O)[O-])OC1,0,GDB ChEMBL
294445,C#CCC(CC)(CC#C)C(CC)CCC,0,GDB ChEMBL
222889,C[NH2+]C(C(C)C[NH3+])C1OC1C[NH3+],0,GDB ChEMBL
226218,OCCCc1ccc(CC2CC2)s1,1,GDB ChEMBL
81467,COc1cc(C)c(=N)n(CC#N)c1,1,GDB ChEMBL
252666,CC([NH+]=C1NCCC(O)CN1)C(=O)OCC=O,0,GDB ChEMBL
383706,CC1C[NH+]2CCCC2C2NC2(C[NH3+])C1,0,GDB ChEMBL
56615,CC(C)CCCC1CCC2(C1)CC(C)C(C)C2,1,GDB ChEMBL
282000,[NH3+]CC(CCC1CCO1)C[NH+]1CCC1,0,GDB ChEMBL
203583,C=C1C(=O)OCCCNC=[NH+]C1C,0,GDB ChEMBL
340165,C#CC(C#C)(NCCC(=O)[O-])C(=O)[O-],0,GDB ChEMBL
318035,CCNC(C)=[NH+]CC(=O)NCCC([NH3+])CO,0,GDB ChEMBL
398190,C#CC(CC)[NH+]1C2CC(C2)C1CO,0,GDB ChEMBL
4856,CCCOC(C)C1[NH2+]C2(CC1O)CC2C,0,GDB ChEMBL
336048,CCC1(CO)OC(C)(C)CC1C(C)C,0,GDB ChEMBL
240036,CCC(CO)C(C=O)S(=O)(=O)NC(=N)N,0,GDB ChEMBL
77304,NC(=O)C(CO)n1cc(NC=O)cn1,0,GDB ChEMBL
235891,CC#CCC1CN=C(Cc2cccs2)OC1,0,GDB ChEMBL
64310,CC(=O)NC(=NCCO)NCC=O,1,GDB ChEMBL
228295,CC(C)[NH2+]C1CC2C(=O)NCC3C1C23O,0,GDB ChEMBL
363527,CC1CC(O)C2(C(N)=[NH2+])C(C1)C2C(N)=O,0,GDB ChEMBL
260154,CC(CCOCC[NH3+])c1n[n-]c(O)n1,0,GDB ChEMBL
305162,C[NH2+]CC(C)C(C#CC(C)O)C(N)=[NH2+],0,GDB ChEMBL
3923,CC12C=CCC1Cc1ccccc1C2,0,GDB ChEMBL
376995,Cc1cn2nc(C)c(C[NH3+])c(C)c2c1C(=O)[O-],0,GDB ChEMBL
227798,CC(C=CC[NH3+])CC(O)C1CN1C,0,GDB ChEMBL
277931,CC(C)CC(C)C(C)C1CC[NH2+]1,0,GDB ChEMBL
361781,CCCOC1C(C)C1C(C)[NH2+]C(C)C,0,GDB ChEMBL
195348,[NH3+]CC1OC(C(=O)[O-])C(O)C([NH3+])C1O,0,GDB ChEMBL
112398,CC([NH3+])C(C)C([NH3+])Cc1cncnc1,0,GDB ChEMBL
114747,C#CCCCc1cc(C)cc(NCC#N)c1Cl,1,GDB ChEMBL
179433,CN1CC2(O)C(C2(C=O)CC(N)=O)S1(=O)=O,0,GDB ChEMBL
29677,COCC(=O)NCC(OC(N)=[NH2+])C1CC1,0,GDB ChEMBL
26926,CC#CCCC(=O)C=CC(C)(C)C,1,GDB ChEMBL
209697,Cn1ccc(C(C#N)C2(C)CCC[NH2+]2)c1,0,GDB ChEMBL
252618,CCC1CC2OC2C2C[NH2+]C(C(C)C)CC12,0,GDB ChEMBL
323984,Cc1ccc(C2C(C)C2CO)cc1I,1,GDB ChEMBL
112521,C[NH2+]C1CC(C)C(C#N)(C(C)OC)CC1CO,0,GDB ChEMBL
305151,CCc1cc(I)c(I)cc1CC[NH2+]CC(C)C,0,GDB ChEMBL
210157,COC1C2CC1N(C)S(=O)(=O)CCNC2=O,0,GDB ChEMBL
357638,Fc1cncc2c1C1(CCC1)OC2,1,GDB ChEMBL
205769,CC(CC[NH3+])C1CC2CCCC1C2,0,GDB ChEMBL
41623,CNC(=[NH2+])c1cc(C(=O)[O-])c(=O)on1,0,GDB ChEMBL
179445,CC1[NH2+]CCC2(N)C([NH3+])C2NC(=O)C1O,0,GDB ChEMBL
247363,C#CC(C)(CC)C(C[NH3+])OCCC(C)C,0,GDB ChEMBL
378570,CCOc1c(O)c(C)cn(C)c1=[NH2+],0,GDB ChEMBL
317699,C#CCCc1cc(C(C)O)nc(CO)nc1=O,0,GDB ChEMBL
70305,CC1(O)CCOCCOC1c1nccs1,0,GDB ChEMBL
181369,C=CC=Cc1c[nH]c2ccccc12,1,GDB ChEMBL
228836,CCC1CC(OC)C(C)(C)C2C1[NH2+]CC2(C)C,0,GDB ChEMBL
376034,CC[NH+]1C(C)C(C(O)C[NH3+])CCC1(CN)CO,0,GDB ChEMBL
304266,CC#CCC1(OCCO)CN(CC(N)=O)C1,1,GDB ChEMBL
76960,CCC1(C)C[NH+]2C(C)CCC(CCC2(C)C)O1,0,GDB ChEMBL
372546,CC1C(CO)C2CC(C)(C)C1O2,1,GDB ChEMBL
196715,C=CCOC1(C[NH2+]C)CC(C)([NH3+])C1,0,GDB ChEMBL
296039,COCC1(C)C(C)OC2C([NH3+])CC1C2[NH3+],0,GDB ChEMBL
386417,CC(CO)NS(=O)(=O)CNC(N)=[NH2+],0,GDB ChEMBL
355797,CN(CC(=O)c1nc(C#N)cs1)C(N)=[NH2+],0,GDB ChEMBL
78673,[NH3+]C12CC1C(=O)NCCOC2C(=O)[O-],0,GDB ChEMBL
26410,NC(=O)CC12CNC1C(=O)NC(=O)O2,0,GDB ChEMBL
131657,NC(=O)C12C[NH2+]C(CN1)C2,0,GDB ChEMBL
119898,OCCCCCc1cccc(I)c1,1,GDB ChEMBL
136508,Cn1nncc1CCCC(CN)NC=[NH2+],0,GDB ChEMBL
90295,CNc1c(C)c[nH+]cc1CC[NH2+]CC1CC1,0,GDB ChEMBL
392519,CCC1(C)CCCCC(C)CC2CC(C)CC21,0,GDB ChEMBL
308213,Cn1ncnc1C1[N-]C(=O)CC1C#N,0,GDB ChEMBL
115744,CNc1coc2c(Br)c(COC)cnc12,0,GDB ChEMBL
135850,CN1C(=[NH2+])C2CC1C(=O)NC2C[NH3+],0,GDB ChEMBL
108158,CCCC(C)(C)C1C(=O)C2CC1C1CC[NH2+]C21,0,GDB ChEMBL
234990,[NH3+]CCC1CCCCCC12CC2,0,GDB ChEMBL
386612,CC(C)CC1C=C(CC#N)CO1,1,GDB ChEMBL
386607,CCC12CC(C)OC(C1)C(C)C2,0,GDB ChEMBL
91168,O=C([O-])c1cc(O)ccn1,0,GDB ChEMBL
389485,C#CC1CN(C)C(C)C2CC(O)C1[NH2+]2,0,GDB ChEMBL
267921,C#CC(C)(C)CC(CC)[NH2+]C(C)C1CCC1,0,GDB ChEMBL
259334,CC(O)C1C2CC(C)[NH+]1CC2(C)O,0,GDB ChEMBL
140391,CC1CN2CCC3[NH2+]C1C2C3O,0,GDB ChEMBL
386545,C#CC1COCC[NH+](C)C1,0,GDB ChEMBL
320760,CNC(=O)Cn1cc([N+](=O)[O-])oc1=O,0,GDB ChEMBL
83530,C=CC1(CC)C(CC(C)C)N1CC,0,GDB ChEMBL
390085,CCCOCC(=O)C1CN1C,1,GDB ChEMBL
15573,CCCCC1C(C)CCC1(C)[NH3+],0,GDB ChEMBL
351339,C=CCCC(=O)C[NH+](CC)CCC,1,GDB ChEMBL
315252,CCCc1cc(Br)c(CC)cc1C(C)C,1,GDB ChEMBL
358571,CCC(C)C(N)=[NH+]c1cncc(Cl)n1,0,GDB ChEMBL
66157,C[NH+](C)Cc1cc(O)ccsccc1N,0,GDB ChEMBL
137086,N#CC(N)C1CC(O)CS(=O)(=O)N1,0,GDB ChEMBL
304443,C#CCCC(C)(CC(C)C)OC1(C)CC1,1,GDB ChEMBL
18391,C#CC(O)(CC)C(CC([NH3+])CO)[NH2+]CC,0,GDB ChEMBL
35670,CN(CC12C=CC(C=C1)C21COC1)C(N)=[NH2+],0,GDB ChEMBL
387312,CC1C=CC(CCCO)[NH2+]1,0,GDB ChEMBL
124873,C#CC(C)c1c(F)ncc(CC)c1CCC,0,GDB ChEMBL
203581,CCC1CC(C)CC(=O)C([NH+]=C(N)N)C1,0,GDB ChEMBL
225825,CN(C=[NH2+])Cc1cc(CC[NH3+])ncc1Cl,0,GDB ChEMBL
286290,Cc1cc(C)c(C2C3C=CC2C3)c(Br)c1,1,GDB ChEMBL
370265,CNC1(C[NH3+])C(CO)OC(=O)C2COC1(C)C2,0,GDB ChEMBL
194250,CC(C)(C)[NH2+]C1CC2C3CCC2C13,0,GDB ChEMBL
39959,Nc1cc(O)nc(C[NH3+])c1C(O)COCCO,0,GDB ChEMBL
354965,CC1[NH2+]CC(O)CC(C)(O)C1N(C)C(=O)CO,0,GDB ChEMBL
343227,COCC(O)CC(N)=[NH+]C1CN(C)C1=O,0,GDB ChEMBL
280281,COC(CO)C(C)CNC1CC(N)=[NH+]C1(C)C,0,GDB ChEMBL
338317,COC(=O)C1NC1(C)CC#N,0,GDB ChEMBL
41319,C[NH2+]C1C(OC(C)=O)C1S(=O)(=O)[O-],0,GDB ChEMBL
125692,CC[NH+]1CC2C(C)C1C(C)(CC#N)C2C,0,GDB ChEMBL
387079,C[NH2+]CCCn1ccc2c1OCC2[NH3+],0,GDB ChEMBL
350650,NC(=O)C1CC(C(=O)[O-])[NH2+]C2CC21O,0,GDB ChEMBL
64649,CC1(C(C#N)C[NH3+])CC2COC1C2[NH3+],0,GDB ChEMBL
279080,CC1C2[NH2+]C3C4CCCC(C)(C13)C42,0,GDB ChEMBL
119903,C#CC(C)C#Cc1cc(F)ccc1CC,1,GDB ChEMBL
277690,C#CC12CCC(c3ccc(Cl)cc3C1)[NH+]2CC,0,GDB ChEMBL
94871,CCC(C)c1cnc(Cl)c(C)c1C1CCCC1,1,GDB ChEMBL
101036,CC1(C)CCC2C1OCCc1c(C=O)cnn12,0,GDB ChEMBL
390108,C#CC1(C[NH3+])C(O)C(C)C(=O)OC(C)C1CC,0,GDB ChEMBL
42552,CC1(C)CCc2ccnc3c2C1CCCCC3,0,GDB ChEMBL
375701,C#CC1C2C(O)C(C)C(C)(CC(N)=O)C12,0,GDB ChEMBL
347903,Cc1cccc2c1COC(=N)C2,1,GDB ChEMBL
172351,CCc1cc(OCCO)c(CO)c(C)c1I,1,GDB ChEMBL
179317,C1CC2COCC1C2,1,GDB ChEMBL
389390,O=C([O-])CC1CC23CCCC2C1C3,1,GDB ChEMBL
118140,NS(=O)(=O)OC1CC(C=O)NCC1O,1,GDB ChEMBL
89664,CC(=O)C1=CNC(CO)C1O,0,GDB ChEMBL
95920,C#CCc1ccc2c(c1)NC(C(C)C)CN2,1,GDB ChEMBL
267359,CCOC12CC(C)CC(CC1(C)O)[NH+]=C2N,0,GDB ChEMBL
150137,CCC1CCC2[NH2+]CC(C#CCO)C(O)C12,0,GDB ChEMBL
318531,C#Cc1ccc2c(c1F)CC(COC)N2,1,GDB ChEMBL
169110,CCC1=CC2CC([NH3+])C1C(CO)O2,0,GDB ChEMBL
152021,C#CCC1CC(C)C=CC1CC(C)CC,1,GDB ChEMBL
64058,CC1(C)CC=CC(C(=O)CO)C1,1,GDB ChEMBL
376960,N=C(CN)NC(=[NH2+])CCC(=O)[O-],0,GDB ChEMBL
24522,Cc1ccc2c(CCC(C)C)cc(Cl)cc2c1,1,GDB ChEMBL
45018,CCC(O)C1CNC=C(C(N)=O)C1(C)[NH3+],0,GDB ChEMBL
245518,C[NH2+]CC(C=O)NC1=[NH+]CC(C(N)=O)N1,0,GDB ChEMBL
361637,CN(CCCC(=O)[O-])CS(=O)(=O)CCC=O,0,GDB ChEMBL
72433,C#CC1C[NH2+]CC(C(C)C)C1,0,GDB ChEMBL
292679,COC(C)CC1C(=O)CN(C(C)C(N)=O)C1=O,1,GDB ChEMBL
307945,CCc1cc(Cl)nc(Cl)c1N,1,GDB ChEMBL
191673,COC(C(N)=O)C(C)(C#N)C1OC(=O)[N-]C1=O,0,GDB ChEMBL
319776,Nc1ccc(N)c(-c2cc(Cl)cc(C[NH3+])c2)c1,1,GDB ChEMBL
209717,[NH3+]C1CCOCCC1CCO,0,GDB ChEMBL
298026,C=CCC1CCCC(C=C)C1CC,0,GDB ChEMBL
389079,COC(C)C1N=C(CC(C)O)NC1(C[NH3+])CO,0,GDB ChEMBL
300553,NC(=[NH2+])NC(CNC(=O)CCO)C(=O)[O-],0,GDB ChEMBL
195251,CN(C(=O)NC=O)C(C)(C#N)C(N)(CO)CO,0,GDB ChEMBL
304060,O=C1NC2C3(O)C(O)CC1C23C(=O)[O-],0,GDB ChEMBL
392744,O=C([O-])CC1C(O)C1CO,0,GDB ChEMBL
204390,CCC1(C)C2C=C(C)C1CC(C(F)(F)F)C2,0,GDB ChEMBL
218832,CNC(=O)OC(CO)(CO)C1CNC(=[NH+]C)N1,0,GDB ChEMBL
204511,C[NH2+]C1CNC(=O)Oc2nc(C)c(O)cc21,0,GDB ChEMBL
61898,NC(=[NH2+])NC1CS(=O)(=O)C2COC1C2O,0,GDB ChEMBL
202480,CC1C([NH3+])CC(O)CN=CN2C(=O)COCC12,0,GDB ChEMBL
153309,CCC12C[NH+]3CC1C2C(O)CC3C,0,GDB ChEMBL
130368,CC(C)C1C2OC2(CO)C(CO)[NH+]1C,0,GDB ChEMBL
71001,COCC(O)C(CC[NH3+])OC=NC(C[NH3+])CO,0,GDB ChEMBL
362854,CC1CC2CC[NH2+]CC[NH+]2C1,0,GDB ChEMBL
323328,C#CCn1cc[nH+]c1NC,1,GDB ChEMBL
9895,CCC(=O)NC1C2CC([NH3+])CCNC1C(C)[NH2+]2,0,GDB ChEMBL
174268,CCC(N)=[NH+]C1CCC(C(=O)[O-])[NH2+]CCC1=O,0,GDB ChEMBL
281649,C[NH2+]CCCC(O)CC(C)C(C)=NO,0,GDB ChEMBL
209841,c1cn2c3c1CCN3CC2,1,GDB ChEMBL
278002,COC1CC2NS(=O)(=O)C1C(=N)NC2=O,0,GDB ChEMBL
207898,Cc1cccc2c(I)c3c(c(I)c12)CCC3,1,GDB ChEMBL
225808,CC12CC3CC(C#N)C1CCC2O3,0,GDB ChEMBL
288661,CNc1ccc2cc(C)ccc2c1F,1,GDB ChEMBL
203781,COC(=O)C1CC2CC=CCC(C2)C1,1,GDB ChEMBL
119796,CCC1(CC([NH3+])C(=O)[O-])CC([NH3+])C(C[NH3+])CN1,0,GDB ChEMBL
66610,Cc1cccc2c1C1CCC(CC2)C1C(C)C,0,GDB ChEMBL
54128,CNC(C#N)Cc1n[n-]c(=O)o1,0,GDB ChEMBL
358169,CCC(=O)CNC1CCC2CC1[NH2+]CC2C,0,GDB ChEMBL
208218,Fc1cc2ccc1C=CC=CC=CCC2,1,GDB ChEMBL
278149,C#Cc1cc(F)c2c(c1C)NC1(CCCC1)C2,1,GDB ChEMBL
283436,CCNc1cn(C)c(OC)c1N,1,GDB ChEMBL
302449,COC1OCCNC1C(C)=O,1,GDB ChEMBL
79367,Cc1c(Cl)cc(=O)oc1C(CO)CO,0,GDB ChEMBL
307573,COC1(C)CCC2C(CO)CC(C)([NH3+])C21C,0,GDB ChEMBL
98554,CC1CS(=O)(=O)NC2CN(C2)C(=O)CO1,1,GDB ChEMBL
17441,CC1CCC2C(C)OCC(O)C1C2(C)C,0,GDB ChEMBL
5344,[NH3+]C1(CNc2cccc(Cl)n2)CCCC1,0,GDB ChEMBL
166401,Nc1ncc([O-])cc(=NC(CO)CC(=O)[O-])[nH+]1,0,GDB ChEMBL
362806,COC(=O)CNc1nc[nH]c1C=O,1,GDB ChEMBL
338381,C[NH2+]CC1NC1c1noc(C)n1,0,GDB ChEMBL
398851,COCC1NC(=N)C(C)(CC#N)OC1=O,0,GDB ChEMBL
324325,CCc1cc(I)cc([NH+]=C(CC[NH3+])NC)c1,0,GDB ChEMBL
217147,CC1C(C(C(N)=O)C(=O)[O-])CC([NH3+])C1(O)CO,0,GDB ChEMBL
214037,CC1CC(C)([NH3+])C2CN(C)C(=O)C3CCOC132,0,GDB ChEMBL
228821,O=C1OCC2OC3CC2NC13,0,GDB ChEMBL
111541,CC1=CCCC(C)(C)C(=O)C=CC(C)C1,1,GDB ChEMBL
152548,N#Cc1cccc(NC=O)c1CC=O,1,GDB ChEMBL
60677,CCC(C)COC(=O)N1CCC1=O,1,GDB ChEMBL
255339,CC1=CC2C(C)CCCC2C(C)CC1,0,GDB ChEMBL
61314,COC1CCC=CC=C(C)C1C,0,GDB ChEMBL
127245,COCC12C=CC(OC1CC[NH3+])C2O,0,GDB ChEMBL
10576,C#CC1CC1C1CC=CCCCCCC1C,0,GDB ChEMBL
119988,CC1(C[NH3+])COC(CC#N)OC1=O,0,GDB ChEMBL
318408,CCN=C(NC(=O)C[NH3+])C(N)C#N,0,GDB ChEMBL
117419,C#CCC1CCCC(C)C2CC1C(=O)C2(C)C,0,GDB ChEMBL
93726,CCC1C(C)C2C(C)=CCC1C2CC,0,GDB ChEMBL
307466,CC=C1CC(CO)C(=NO)CNC1=O,0,GDB ChEMBL
47679,CC1OCC2[NH2+]CC1C([NH3+])C2O,0,GDB ChEMBL
12742,CCC1CC2C3CC(=O)C2C1(C)C3,1,GDB ChEMBL
368167,C[NH2+]CC(O)CC(C(N)=O)C(C)(O)C[NH3+],0,GDB ChEMBL
341882,CCOC(=O)c1cnc(C[NH3+])c(=O)c(C)c1,0,GDB ChEMBL
280772,CC1C(O)CCN1CC#N,1,GDB ChEMBL
307473,CCC1C(C)C(C)C=C(C)CC1C(C)(C)C,0,GDB ChEMBL
169416,CCC1CCC2(C=C3CCCCC3C2)CC1,1,GDB ChEMBL
228808,CC(=O)NC12CCN(S(C)(=O)=O)C1C(O)C2O,0,GDB ChEMBL
101511,COC1C(C#N)COC(=N)C1CC(C)[NH3+],0,GDB ChEMBL
235890,C#CC#CC(O)CC(C)C,1,GDB ChEMBL
204194,C#CCC(C)(C)C([NH3+])CC1CC1,0,GDB ChEMBL
296048,C[NH2+]C1C(=O)NCC1Nc1nn[nH]n1,0,GDB ChEMBL
18823,CN1CC([NH3+])(CO)C(N)C(O)C([NH3+])C1C(=O)[O-],0,GDB ChEMBL
340538,CC12CCC(C3CC3C1CC[NH3+])C2CC[NH3+],0,GDB ChEMBL
292282,O=CC1C[NH2+]CCC2CN1C2,0,GDB ChEMBL
304633,C#CCC(C)C1(C)CCCCCC1,0,GDB ChEMBL
391599,CN(C(=O)C1(N)COCCOC1)C1=NCCN1,1,GDB ChEMBL
170310,COCCOc1nsc(C#N)c(C(C)C)c1=O,0,GDB ChEMBL
371699,CCCCCCCC1(C)CC=C(C)C1C,0,GDB ChEMBL
333913,CN1CCCC(O)C#CCc2cccc1c2,1,GDB ChEMBL
118399,COC1(C)C(O)C1(C[NH3+])Cc1ccon1,0,GDB ChEMBL
150543,CC([NH3+])C1(C#N)[N-]C(=O)OC1C[NH3+],0,GDB ChEMBL
358837,CC=C(C)CCCC(C)(C)C1CC1,1,GDB ChEMBL
151157,CC1CC(C[NH2+]CC2(O)CN(C)C2)C1,0,GDB ChEMBL
261420,CCC1C(COC)NC2(CCOC2=O)C1C#N,0,GDB ChEMBL
88189,CCC(C)(CC1(OC)CCCC1)C(C)O,1,GDB ChEMBL
365678,CCC(C)C[NH2+]CC1(C)CC(C)(C)CC1[NH2+]C,0,GDB ChEMBL
334086,CC1CCC[NH2+]C2CCC3(C(N)=O)OC23C1,0,GDB ChEMBL
17505,CC(O)CC(=O)N(C=O)C(=N)C([NH3+])CO,1,GDB ChEMBL
320438,CCC1CC2[NH2+]CCCC[NH2+]CC12C,0,GDB ChEMBL
301496,[NH3+]CC(C(=O)[O-])n1nncc([O-])c1=O,0,GDB ChEMBL
323163,C#CCCC1NC(=O)C2CNC(=[NH2+])C(CC)C12,0,GDB ChEMBL
114360,C[NH+](C)C1COCOC1C(O)C(N)=O,0,GDB ChEMBL
18317,CC#Cc1cccc(C)c1CCCC(C)C,1,GDB ChEMBL
40416,O=C1NCCC1C1C2NS(=O)(=O)C1C2O,0,GDB ChEMBL
114422,CC(=O)c1c2c(n(C)c1N)CC(CCC#N)C2,0,GDB ChEMBL
184651,CCN1C(=O)C2C=CC(C)(C2C)C1C,0,GDB ChEMBL
153288,Brc1cc2ccc1CCC1(CC=CC2)CC1,1,GDB ChEMBL
354759,[NH3+]CCC1[NH+]=CNC1CC(O)C(=O)[O-],0,GDB ChEMBL
68474,CCOCC1CC(C)(C)CCCC(C)(O)C1,0,GDB ChEMBL
94656,CC1CC(C)(C)C2CCC1(C)C2(C)C,1,GDB ChEMBL
182082,CC12CC(OCC[NH3+])CC1(C)N2C=O,0,GDB ChEMBL
202817,CC(O)C(Nc1nncnn1)C(=O)CO,1,GDB ChEMBL
392264,C#CCN(C(=O)C[NH2+]C)C1C2[NH+]=CNC21C,0,GDB ChEMBL
372505,CCC(=O)OC1OCC2([NH3+])CC1NC2C(C)O,0,GDB ChEMBL
235579,C#CC1CC1N(C)c1cccc(CC)c1Br,1,GDB ChEMBL
354435,COC1(C)CC(C)C(C)C1C#N,1,GDB ChEMBL
235676,CC(O)CCC1(C)OCC([NH3+])CO1,0,GDB ChEMBL
294449,C[NH2+]CC1(C)CC(=O)NCC(=O)[N-]S1(=O)=O,0,GDB ChEMBL
91167,CC#CCc1cncc(C#N)n1,0,GDB ChEMBL
152597,C#CC1N2C(COC)C(O)CC12C,0,GDB ChEMBL
77065,CC[NH2+]CC(N)COC(C)=O,0,GDB ChEMBL
68627,CCC([NH3+])C1C=C(C[NH2+]C)C=CC1,0,GDB ChEMBL
152513,C[NH2+]CCCC1(C)C=CCC1C,0,GDB ChEMBL
302316,CCCNC(=O)c1nnnc(C(C)[NH3+])n1,0,GDB ChEMBL
292229,O=C1CNCC(CO)N1c1ncc2n1CC2,1,GDB ChEMBL
239135,C=CCC1CC(C#N)C(C)C1CC,1,GDB ChEMBL
22546,N#CC1CNC(=O)C([NH3+])(CO)C1,0,GDB ChEMBL
99841,NC12C(=O)OCCC[NH2+]CC1C2(O)C(=O)[O-],0,GDB ChEMBL
124542,CC1(C)CCCC2C3CCCC(CC3)CCC21,0,GDB ChEMBL
33210,CC(C)S(=O)(=O)NC(C[NH3+])CO,1,GDB ChEMBL
365746,COCC12CCC(CC=C1C)C2,0,GDB ChEMBL
84477,C#CC(C)=CC(CC)CCC(C)C,1,GDB ChEMBL
142519,CC(C)c1nc2c(c(=O)[nH]1)CC1CC21,1,GDB ChEMBL
34427,CCC1CC(C(C)C)CC1(C)CC,1,GDB ChEMBL
48003,CCC1CC(C)(C)CC(OC)COC1C(C)[NH3+],0,GDB ChEMBL
386666,NC1CCC[NH2+]C1CO,1,GDB ChEMBL
247391,c1cnc2c(c1)OC1(CC1)CO2,1,GDB ChEMBL
273642,FC(F)(F)CCC1C[NH2+]1,0,GDB ChEMBL
194715,N#CC(N)C(=O)N1CCOC(=O)C1(CN)C[NH3+],0,GDB ChEMBL
3813,CC[NH+]1CCC[NH+]=C(N)N(C)C(C=O)(CO)C1,0,GDB ChEMBL
27822,CC1(O)C2NC(C(N)=O)C(C(=O)[O-])OC21,0,GDB ChEMBL
77517,CC1CCCCCCC1CC1CC1,1,GDB ChEMBL
188140,[NH3+]CCCC1CCC=CCC12CCC2,0,GDB ChEMBL
191553,C#CC1(C(=O)NCc2ccc(C#N)o2)CC1,1,GDB ChEMBL
359081,C#CCC(C)(OC(C)(C)C)C(C)CCC,0,GDB ChEMBL
63157,COC1C(C)C1C1CC(CO)CC1=O,0,GDB ChEMBL
341333,Cn1nnnc1C(=O)C1CCNC(=[NH2+])N1,0,GDB ChEMBL
148882,COC1OC(=O)C(O)C1N1CC1C,0,GDB ChEMBL
144646,CC1OC2CC[NH+](C)C1C1CN1C2=O,0,GDB ChEMBL
315201,Cc1c2ccc(I)c1C[NH2+]CCC=CC#C2,0,GDB ChEMBL
271809,COCC[NH+]=C(N)C1=C(C(=O)[O-])C(C)[NH2+]C1,0,GDB ChEMBL
53874,NC(=O)NC(=O)CNC(=[NH2+])NCC[NH3+],0,GDB ChEMBL
398744,CC1COCC(O)C(CO)(CNC(N)=[NH2+])[NH2+]1,0,GDB ChEMBL
394896,CC1=CC=CC[NH2+]CCCC1,0,GDB ChEMBL
334755,Cc1cc2c([nH]1)C1(C(N)C#N)COCCN1C2,0,GDB ChEMBL
271852,CCC1(O)CC2[NH2+]CCCC2CCCCC1C,0,GDB ChEMBL
323360,COC1CCC2C(=C(C)C[NH+]2C(C)C)C1C,0,GDB ChEMBL
140828,C=CC1(C(C)C)C=CC(=O)N(C)C1,0,GDB ChEMBL
342404,C[NH+]=C(NC(N)=[NH2+])C(C)NC(N)=O,0,GDB ChEMBL
68515,CC1C2OC(CO)(C(=O)[O-])C1C1CC2CC[NH2+]1,0,GDB ChEMBL
388430,CCOC1C2CCC(O2)C(O)C1OC,1,GDB ChEMBL
234229,C#CC(C)(C#CC)Cc1ccc(Br)cc1,1,GDB ChEMBL
376985,C#Cc1nc(Br)ccc1C(=O)c1ccc(C)s1,1,GDB ChEMBL
143817,C#CC(C)c1cc(I)cc(C(C)C)c1C,1,GDB ChEMBL
225350,O=CNC1C(=O)COC(=O)C2NCCC(O)C12,0,GDB ChEMBL
271801,CCN=c1cc[nH]cc1N(C)CCOCC[NH3+],0,GDB ChEMBL
366898,CCC12COCCN1C2(C=O)C(N)=O,0,GDB ChEMBL
43510,CCCCCCC1C2C(CC)CCC12CC,0,GDB ChEMBL
63116,CC1(O)CN(c2cc(CC#N)no2)C1,0,GDB ChEMBL
230744,N=C(N)N1C(=O)CC2CC1C(O)C2=NO,0,GDB ChEMBL
79365,CC1C[NH2+]C(CCCOC2CN(C)C2)C1,0,GDB ChEMBL
209822,C#CCn1cnc(NC)c1N,1,GDB ChEMBL
78666,C#CC[NH+](CCC[NH3+])CCCOC=O,0,GDB ChEMBL
34433,CC1CC2(C)CC1C1(C)CCCC(C)(C)C1C2,0,GDB ChEMBL
99791,CC(CC(CO)c1ccc(Br)cc1)C(C)(C)C,1,GDB ChEMBL
124852,Fc1ccc2c(c1)C=C(C1CCC1)CCC2,1,GDB ChEMBL
356498,CC1(C(C[NH3+])C(C#N)CC[NH3+])CC=CC1,0,GDB ChEMBL
124840,CC12OC1CC1CC2CCC1C(N)=O,1,GDB ChEMBL
380559,NC(=O)c1c[nH]c(=[NH2+])cc1N,1,GDB ChEMBL
5316,COC(=O)C(Cc1ncnnn1)NC=O,0,GDB ChEMBL
280262,N#CCC1COC2COCCCCC12,0,GDB ChEMBL
104916,CCCCC(C)CNC(C)(C#N)CC(C)OC,1,GDB ChEMBL
134422,CC1=[NH+]CC(NCC#N)C(C)(C)CN1CCO,0,GDB ChEMBL
91233,CCC(=O)CC[NH2+]CC(CC)CO,0,GDB ChEMBL
338128,CCc1cc(CO)sc1C(=[NH2+])NC,0,GDB ChEMBL
263247,COC1COCC(=O)NC(=NCC#N)C([NH3+])C1,0,GDB ChEMBL
196734,C#CCOc1nc(OC)c(C)c(I)c1NC,1,GDB ChEMBL
351375,NC(=O)Nc1cnc(C2CCO2)cn1,1,GDB ChEMBL
159737,CC1C(N)C[NH+]2C(C)CCC2CC1CC(N)=[NH2+],0,GDB ChEMBL
277985,[NH3+]CCN1C(=O)CNC(=O)C1C[NH3+],0,GDB ChEMBL
195250,C#CC1CCC2C(c3ccccc3Br)C12,1,GDB ChEMBL
185272,O=C1CCCNCc2cc(c(F)c(F)c2F)C1,1,GDB ChEMBL
51401,C[NH2+]CC1=CC(C)(C)CCCCC(C)C1,0,GDB ChEMBL
111944,CCC1(CO)CC(=O)NC(=O)O1,1,GDB ChEMBL
70814,C#CCN1C(=O)C2CCCC(C)(C2)C1C,1,GDB ChEMBL
87710,CCOC(C)(C)C(CCO)[NH2+]CC1(C)CO1,0,GDB ChEMBL
117424,CCCC#CCC1OCCC1C,1,GDB ChEMBL
278012,CC1CC(O)C([NH3+])C1C1CO1,0,GDB ChEMBL
193203,CNC(=O)OCc1sncc1[N+](=O)[O-],1,GDB ChEMBL
280704,CC(=O)N1CC(O)C2(CNC=O)CC1C2,0,GDB ChEMBL
84881,CCC(C(O)C(O)CO)C(O)S(N)(=O)=O,0,GDB ChEMBL
29013,CCc1cnccc(C)oc(NC(C)(C)C)n1,0,GDB ChEMBL
270065,NS(=O)(=O)C1OC2COCC1C(O)C([NH3+])C2,0,GDB ChEMBL
72033,COC(C)(C)C(C(C)C)C1CC1,1,GDB ChEMBL
40246,COCC1=NCCC(C)(C)CO1,1,GDB ChEMBL
76819,CCc1c(Cl)ccc2c1C1C3C=CC2C31,1,GDB ChEMBL
160022,NC(N)=[NH+]CCc1nc(C=O)c(N)s1,0,GDB ChEMBL
116418,CCC1OC(C)(C)C(C)(CCC[NH3+])C1C[NH2+]C,0,GDB ChEMBL
254906,COC(=O)C1(O)C2CC([NH3+])C1S(=O)(=O)N2,1,GDB ChEMBL
297279,CCC1CCCC(C)C1C([NH3+])C1CC1,0,GDB ChEMBL
262297,CC1CC2CCCC1(C(=O)[O-])CC2[NH+]1CC1,0,GDB ChEMBL
370251,C[NH+](C)C1C2C3OC3CC21C(=O)[O-],0,GDB ChEMBL
207711,C#CC1CCCCCC(=O)C12CCC(C)CC2,1,GDB ChEMBL
20525,CC12CCC3CC1CC(O3)C([NH3+])C2,0,GDB ChEMBL
285069,C[NH2+]C1C(O)CN2C(=O)CC(C3CC3C)C12,0,GDB ChEMBL
348713,CC1CCCC2CC(CCC2(C)C)C1,0,GDB ChEMBL
37139,CC1CC2(C)[NH2+]C1C(C)C(C)C2CCO,0,GDB ChEMBL
374321,CCCC1CC2CC3C[NH2+]C2CC13,0,GDB ChEMBL
141792,C[NH2+]CCCN(CC#N)CC1C=CNS1(=O)=O,0,GDB ChEMBL
383094,CC(CO)C1(C=O)CN(C)C1,0,GDB ChEMBL
321799,CC1CCCC=CCC1C#CC1CC1,0,GDB ChEMBL
4965,C=C1CC2(COC)NC(=O)C1C2O,0,GDB ChEMBL
349668,C[NH2+]CC(=O)C(C#CCC#N)[NH+]=C(N)N,0,GDB ChEMBL
189823,COC1CNC2(C)CC1OC(C)C([NH3+])C2C#N,0,GDB ChEMBL
252701,CCCCOC1C2CC=CCC21,1,GDB ChEMBL
281781,Fc1ccc2c(c1)CC1=CCC3CC3C1C2,0,GDB ChEMBL
302326,NC(=O)CC(O)C1CCC1NC=O,1,GDB ChEMBL
78298,C[NH2+]CC1(OC)C2CC(C1O)S(=O)(=O)N2,0,GDB ChEMBL
200556,N=C1Oc2c(Br)cccc2CC12CC2[NH3+],0,GDB ChEMBL
25226,Cc1cccc(C23CCC=C2CC(C)C3)c1,0,GDB ChEMBL
386623,CCn1cc(N)nc1C(C)(C)[NH3+],0,GDB ChEMBL
80301,CC1=CC(CC(C)C)[NH+](C)C1,0,GDB ChEMBL
185992,COC(=O)C(CO)NC(=O)C1C([NH3+])C1(C)O,1,GDB ChEMBL
340488,CCC(C)C1CC(C#N)CC1C,1,GDB ChEMBL
143178,CNC(=O)N(C)CC(=[NH2+])NC(N)=[NH2+],0,GDB ChEMBL
190502,C[NH2+]C1C2CC3CC2CC31,0,GDB ChEMBL
25142,CCOC1C2C=CC1(C#N)NC(CO)C2C,0,GDB ChEMBL
89323,COCC(NC1CC1)(C(C)=O)C(=O)C(=O)[O-],0,GDB ChEMBL
81070,C#CC1CCC2C=CC[NH+]2C1,0,GDB ChEMBL
300015,CCC1C(N)C1[NH2+]CC(C)O,0,GDB ChEMBL
217037,CC[NH2+]C(C)C1(C[NH3+])NC1C(=O)[O-],0,GDB ChEMBL
38589,COC1(C(C)C(C)O)C2OCC1C(=O)O2,0,GDB ChEMBL
1504,C#CCCCC(C)C1(C)CCCC(C)C1,0,GDB ChEMBL
362660,CCCCC(C)C([NH3+])CCc1cc(C)n(C)c1,0,GDB ChEMBL
46892,CCN1C(C(N)=O)C([NH3+])C2COCC(C[NH3+])C21,0,GDB ChEMBL
394381,CC(C)CC(C)C(C)C(C(C)C)C(O)CO,0,GDB ChEMBL
378076,C#Cc1c(C)cc(I)cc1N,1,GDB ChEMBL
33239,COCc1ccnc(C(C)O)c(N)nco1,0,GDB ChEMBL
24272,CC([NH3+])CC([NH3+])C(C[NH3+])C(C)CC#N,0,GDB ChEMBL
160056,[NH3+]C1CC(O)C(C(=O)[O-])N2CC12,0,GDB ChEMBL
374312,CNC(CC(N)C#N)C(O)C#N,1,GDB ChEMBL
197182,CC(O)CN(C)C1=[NH+]C(C)(C)CNC(=O)NC1,0,GDB ChEMBL
104381,CN(CC[NH3+])C(C)(C)COc1ccnc(Cl)c1,0,GDB ChEMBL
252348,CC1CC2[NH+]=C(N)N(C)CC(CCC2C[NH3+])O1,0,GDB ChEMBL
31789,COC(C(N)=[NH2+])C(CO)C(C)C,0,GDB ChEMBL
53866,CC1C=C(c2ccccc2)C2CC2(C)C1,1,GDB ChEMBL
259150,Cc1ccc2c(F)c(O)ncc2c1,1,GDB ChEMBL
288461,C[NH2+]CCC1(C)OC(=[NH2+])NC(C)CN=C1N,0,GDB ChEMBL
83546,COCC(NCC([NH3+])CO)C([NH3+])CO,0,GDB ChEMBL
304057,CCC(C)N(C)c1occc1CC(C[NH3+])CO,0,GDB ChEMBL
188131,NC(=[NH2+])NCc1cc(S(N)(=O)=O)c(N)s1,0,GDB ChEMBL
76788,C#CCC1CC(C(=O)N(C)C(C)CC#N)CO1,0,GDB ChEMBL
54114,NS(=O)(=O)OC1C2COC1C(=O)N2,1,GDB ChEMBL
197044,CN(C)CCN1C(=[NH2+])CCCC1CN,0,GDB ChEMBL
223259,OCc1c(C2CC2)c(I)cc2nccn12,1,GDB ChEMBL
317535,C#CC([NH3+])(CC(=O)[O-])C(N)COC,0,GDB ChEMBL
21530,N#CC12CC([NH3+])CC1OC1CC(=O)NC1C2O,0,GDB ChEMBL
81119,CCC1C([NH3+])C2CC(=O)OCC1(C)C2,0,GDB ChEMBL
234212,N=C1NC(=O)C(C(C=O)NC(N)=O)O1,1,GDB ChEMBL
196775,CNC(=O)NCC(CNC(N)=[NH2+])=NO,0,GDB ChEMBL
323313,C#CC(C#C)C([NH2+]C)C(CC)CCC,0,GDB ChEMBL
97730,CC=C1CC[NH2+]C1C(CC)C(C)=O,0,GDB ChEMBL
177833,C[NH2+]C(C1=CCCC1)C1CCC1,0,GDB ChEMBL
320465,NC(=O)OC(C[NH3+])C1(O)CC1,0,GDB ChEMBL
26930,O=C1NCC2C(CO)C(C1=O)C1OC(=O)C21,0,GDB ChEMBL
296321,CCOC(C)c1ncc(CCC[NH3+])cc(=O)n1,0,GDB ChEMBL
228355,CCN1C(=O)C(C)(C)N2CCN=C12,1,GDB ChEMBL
275815,C#CC(C(C)C)C(CC)CC,1,GDB ChEMBL
222550,CCCCC(C)(C)C#CC1CC=CC1,0,GDB ChEMBL
115873,CC1(C=O)CCC1,1,GDB ChEMBL
115211,CCC(CC(C)C)[NH2+]C1CC2(C)CC2C1C,0,GDB ChEMBL
175521,CN1CC2CC3(C)C(C2O)C13,1,GDB ChEMBL
369837,C#CCN1CC1C(CC[NH3+])OC,0,GDB ChEMBL
304054,NC(=[NH2+])C1(CC=O)CC(O)(CO)CC1C(=O)[O-],0,GDB ChEMBL
383283,CC1C=CC2C(C(N)=O)C2C1O,1,GDB ChEMBL
21461,C=C(CO)CN(CC(N)=O)C(C)=O,1,GDB ChEMBL
342633,COC(C)C(C#CCO)CO,1,GDB ChEMBL
319344,CCNC(C)(C#N)COCC,1,GDB ChEMBL
97147,CCN(C=O)C(=O)CNS(=O)(=O)CC,1,GDB ChEMBL
232072,CCC12CC(C)(OCC1C[NH2+]C)C1CCCC12,0,GDB ChEMBL
88171,CC(O)CC1C(=O)CC23CCCCOC2C13,0,GDB ChEMBL
712,CC1COCCOCCC1=O,1,GDB ChEMBL
99556,C[NH2+]C1C2C[NH+](C)CCC1(O)CCC2(C)[NH3+],0,GDB ChEMBL
379844,CC(=O)N(C)C(C)C,1,GDB ChEMBL
99096,CCC1CCCC2COC(C)(C)C(C1)C2,0,GDB ChEMBL
148929,CCN1C(=O)C(C[NH3+])C2([NH3+])C(O)CC12,0,GDB ChEMBL
283386,CCN1C(C)CCC(C[NH3+])C1C(N)C(C)[NH2+]C,0,GDB ChEMBL
68517,CC(=O)C(C[NH+]=C(N)N)NCC(N)=O,0,GDB ChEMBL
44065,[NH2+]=C(NCCO)NC1C(O)C1(O)CC[NH3+],0,GDB ChEMBL
379145,CC1C([NH3+])CC2(C[NH3+])CC[NH+](C2)CC1(O)CO,0,GDB ChEMBL
290564,C#CCC1CCC2C[NH+]=C(NC1(C)C)N2CC,0,GDB ChEMBL
211096,CCC1([N-]C(=O)C(F)(F)F)CCOCOCC1,0,GDB ChEMBL
127272,[NH3+]CCc1ncoc1C1COC1,0,GDB ChEMBL
389355,CC(=O)N(Cc1n[n-]c(=O)o1)C1CCC1,0,GDB ChEMBL
257424,C#CC(C)(O)CC1C(CC)C(O)CC(=O)N1C,0,GDB ChEMBL
368441,CC1CNC(=O)OC2(C)CC([NH3+])C2(O)C1O,0,GDB ChEMBL
354582,Cn1ncnc1C1CC(=O)CC1(CO)[NH+](C)C,0,GDB ChEMBL
305516,NC(=O)c1cc2snnc2c(N)n1,1,GDB ChEMBL
132318,CC(C)C1CC(C)(C=O)C[NH2+]1,1,GDB ChEMBL
143155,CC1OC(=O)C2(C3CCCC3O)NC(=O)OC12,0,GDB ChEMBL
126846,Cc1cccc(I)c1CCCCCN(C)C=O,1,GDB ChEMBL
24068,CCOC(=N)C1(O)CC12CC[NH+](C)C2,0,GDB ChEMBL
24736,CCC[NH2+]Cc1cscc1NCC(C)C,0,GDB ChEMBL
62538,CC(=O)C(=N)OCCS(=O)(=O)NCCC#N,1,GDB ChEMBL
18658,CCCC12CC(C)C(C1OC)[NH+]2C,0,GDB ChEMBL
215719,CC(CO)CC(C#N)NC1CC(C)(C)CC1C,1,GDB ChEMBL
299958,CCCC1C2C(C)C[NH2+]C(C)C12,0,GDB ChEMBL
359069,CCCC1(COC)OCC[NH+]=C1N,0,GDB ChEMBL
305552,CC1=CC2C(=O)OC(C)C2(C#N)C(=O)N1,0,GDB ChEMBL
249800,CN1CC([NH3+])CC2(CCC2(C)C)C(O)C1,0,GDB ChEMBL
24490,CCC(CC1CCC2CCC2(C)C1)OC,1,GDB ChEMBL
301424,CCc1nc(=O)c(COCC#N)c(C(N)=O)s1,0,GDB ChEMBL
243332,N#CC(C(N)CCC[NH3+])N(C=O)CC([NH3+])CO,0,GDB ChEMBL
390522,CC1OC(C(N)=O)C2C(C1O)N2S(C)(=O)=O,0,GDB ChEMBL
185332,C#CCc1c(C)cc(C)c(C)c1F,1,GDB ChEMBL
143144,NC(=[NH2+])NC(C#CCO)(C=O)CCC(=O)[O-],0,GDB ChEMBL
209440,CNC(=O)C1N2C1(C#N)CCOS2(=O)=O,0,GDB ChEMBL
48484,CCC1C2CC(=O)NC(C2)C1[NH3+],0,GDB ChEMBL
98835,COC=NC(CC(C)[NH3+])C(=O)[O-],0,GDB ChEMBL
390146,CCc1c(CC2CCCC2)cn2c1OC(C)C2,1,GDB ChEMBL
95620,CC(CCC(F)(F)F)C1CCC(C)(C(C)C)C1,0,GDB ChEMBL
25167,CC(C)Nc1n[nH]c(C(=O)[N-]C(=O)CC#N)n1,0,GDB ChEMBL
277453,C#CCNC(CO)C1(CCC)C[NH2+]C1,0,GDB ChEMBL
391325,Cc1c2c([nH]c(=O)c1C[NH3+])[NH2+]CCC2,0,GDB ChEMBL
93411,CC[NH2+]C1C2CCCC1OC(C=O)C2,0,GDB ChEMBL
298230,C[NH2+]CC1CC2CCCC2c2c(C)c(N)nn21,0,GDB ChEMBL
71412,C[NH+](C)C(C=O)(CO)C1CC1,0,GDB ChEMBL
45710,CCN=C(N)Nc1nnc(CC(=O)[O-])s1,1,GDB ChEMBL
355415,CC[NH2+]C1(C(=O)[O-])CCC1(C[NH3+])OC,0,GDB ChEMBL
195281,CC1=CCC=CCc2c(Cl)ccc(C)c21,1,GDB ChEMBL
398878,CCc1cc(C2=CCCC2)ccc1F,1,GDB ChEMBL
227760,CC1(C(=O)NC(N)=O)OC(=O)CC1O,1,GDB ChEMBL
297048,C[NH2+]C1C=C(C)C2CCC(C)CC12,0,GDB ChEMBL
44343,C#CC[NH2+]CCCc1cccc(Cl)c1,0,GDB ChEMBL
249615,C#CCC(C#N)C(C)(O)COC,1,GDB ChEMBL
184869,O=C([O-])C1CCOC=NC1,0,GDB ChEMBL
4821,CCC(Cc1scnc1C)NC(C)=O,1,GDB ChEMBL
174647,COC1C[NH+](C)C1C(C)CCC(CO)=NO,0,GDB ChEMBL
128297,CC(=O)N(C)Cc1nsnc1C(N)CO,0,GDB ChEMBL
255998,C[NH2+]CC1NC(=O)C2C(CS(=O)(=O)[O-])C12,0,GDB ChEMBL
94614,COC(C)(C)C(=O)N(C(N)=O)S(C)(=O)=O,1,GDB ChEMBL
19659,CN(C(N)=O)C1COC2C(O)C[NH2+]C21,0,GDB ChEMBL
108179,CCNC(=O)NC(CO)c1noc(COC)n1,1,GDB ChEMBL
358501,C#CC(=O)[N-]S(=O)(=O)CC(N)C[NH2+]C,0,GDB ChEMBL
201986,CNC(=O)C(C[NH3+])N=COC,0,GDB ChEMBL
119850,[NH3+]CC(O)C(O)(CO)CC(CO)CO,0,GDB ChEMBL
156762,C#CC1=CC(O)CCCC1C(N)=O,0,GDB ChEMBL
319851,CCN1CCNS(=O)(=O)OC(C[NH3+])C1CO,0,GDB ChEMBL
215288,C#CC(C)=Cc1ccc(C)c(N)c1,1,GDB ChEMBL
299153,C1CC2(C[NH2+]C2)CC2CC1CO2,0,GDB ChEMBL
112508,CC1([NH3+])C(CO)C1(C)OC(=O)CC(N)=O,0,GDB ChEMBL
249461,CC(C)CC(C)CC1=CC(C)CC(C)OC1,1,GDB ChEMBL
130814,CC1CC(C)(C)[NH+](C)C(C)C1(C)OC(N)=O,0,GDB ChEMBL
319152,CCCC(CC)C(=O)N1CC2(O)CC1C2,1,GDB ChEMBL
28333,COC(=O)C1(C)C(C)CC2CC21,1,GDB ChEMBL
148374,OCC12CCC[NH+]1CC=CC2O,0,GDB ChEMBL
27979,CC1=CC=CCC(C)CCCCC1C,0,GDB ChEMBL
326454,CCC(C(C)CC(C)C)C1(C[NH2+]C)CC1[NH3+],0,GDB ChEMBL
15585,C#CC(O)CCCCCC(C)C(=O)C(C)C#N,1,GDB ChEMBL
77270,CC1C[NH+](C)C(C)C2CC1[NH+]=C2N,0,GDB ChEMBL
363255,CC12CNC(=O)C1(C[NH3+])C(O)CNC(=O)N2,0,GDB ChEMBL
21440,CC[NH2+]CC1(NC(N)=[NH+]C)CC1,0,GDB ChEMBL
131692,O=C1CC(Nc2nn[nH]n2)CC1O,1,GDB ChEMBL
116630,CC1CC(CO)CC=CCCO1,1,GDB ChEMBL
287352,CCCC1[NH2+]C2(C[NH2+]CCC(C)C2)C(C)C1O,0,GDB ChEMBL
242609,CN(C(=O)CO)C(=O)NC1COC(=N)C1(C)O,0,GDB ChEMBL
153298,CC1CCCC2(C)CC3CC=CC[NH+]3C1C2,0,GDB ChEMBL
23656,CC(O)CC([NH3+])C1NC(=O)C2C1N2C,0,GDB ChEMBL
74282,CCC1CC(C(C)C)CCC1C(C)C,1,GDB ChEMBL
386399,Brc1ccc2c(c1)C=CC21CCC1,1,GDB ChEMBL
248259,CC([NH3+])C1CC2OCC1(O)C2O,0,GDB ChEMBL
180806,CC(CC1(C[NH3+])CS(=O)(=O)N1C)C(=O)[O-],0,GDB ChEMBL
142497,COCC1C([NH3+])CC(=O)N1CC[NH3+],0,GDB ChEMBL
249509,CNC(C#N)Cc1nc(N)n(C)n1,1,GDB ChEMBL
379695,C#CCNCC(=O)c1cocc1C#N,1,GDB ChEMBL
344329,C=C1CNC(=N)N(CC)C(=O)N1C,0,GDB ChEMBL
13825,CC1CCC=CCC(O)C1C1CC1,1,GDB ChEMBL
135387,CCC1(O)CCCC(C)C(CC)(C(F)(F)F)C1,0,GDB ChEMBL
140776,Cc1cc2c3c(c1)C(C)(O)C(C)N3CC2,1,GDB ChEMBL
122941,CC(C[NH3+])C(OC(N)=O)C1CN1,0,GDB ChEMBL
396762,N#CC(O)CC(O)(CO)C(N)=O,1,GDB ChEMBL
187217,NC(=[NH2+])c1cnc(N)s1,1,GDB ChEMBL
124738,CCC(CC)CCC1(C)CCCC1,1,GDB ChEMBL
240386,CC(C)N1C(=O)CC2CC1C1C2N1CC#N,0,GDB ChEMBL
35005,CC1=CCC2CC3(C)CNC(=O)CC3C12,0,GDB ChEMBL
133164,CC12NC1C(CC(=O)[O-])C(C[NH3+])C2O,0,GDB ChEMBL
18707,C#CC1COCC([NH3+])C1O,0,GDB ChEMBL
366597,CC(O)C1NS(=O)(=O)C1N1CCC([NH3+])C1,0,GDB ChEMBL
207346,CNC(=[NH2+])C(N)(CO)CNC(N)=[NH2+],0,GDB ChEMBL
277574,C=CCOCC(=O)C(=N)[N-]S(C)(=O)=O,0,GDB ChEMBL
44541,O=C([O-])C1CCCCCCCC[NH2+]1,1,GDB ChEMBL
162922,CCCOCc1ccco1,1,GDB ChEMBL
127230,CC([NH3+])(CC1CNCC(=O)N1)C1OCC1O,0,GDB ChEMBL
377770,CC=C(COCC)Cn1ccnn1,1,GDB ChEMBL
163839,CNC(=O)C1OCC2C([NH3+])C1C2C#N,0,GDB ChEMBL
76053,CCC1CCCCCC2CCCC1C2,0,GDB ChEMBL
16715,CC1=CC(O)CC(O)C1(C)C[NH3+],0,GDB ChEMBL
351351,CCC1(CC(C)C[NH3+])C=CCO1,0,GDB ChEMBL
365797,CN(C)C(=O)C1[NH2+]C2(C)CC(C)(C)C=C12,0,GDB ChEMBL
192598,CCC1C2c3ccccc3C(C)CC12C,0,GDB ChEMBL
127902,C#CC(C)CC(c1ccc(C)c(F)c1)C(C)C,1,GDB ChEMBL
175897,CNc1ccc2c(c1Cl)C1(C=C2)CCC1,1,GDB ChEMBL
175559,CC1CCCOCC2C3CCCCC(C3)[NH+]12,0,GDB ChEMBL
119621,CNC(=O)C(=O)Cc1cc(C)cc(I)c1,1,GDB ChEMBL
6125,CCOc1nnn2c(NC)nc(N)c2c1F,0,GDB ChEMBL
362707,NC(=[NH2+])c1ccscc(O)cnc1,0,GDB ChEMBL
210160,CC#Cc1c(F)ccc2c1C=CC1CC1C2,1,GDB ChEMBL
149371,[NH3+]C1CN(C(=O)CO)CC1S(=O)(=O)[O-],0,GDB ChEMBL
248861,CC1CCC(CC[NH3+])(C2CC(C)([NH3+])C[NH2+]2)CC1,0,GDB ChEMBL
188069,CCCC(=NO)C(=[NH2+])NCC,0,GDB ChEMBL
333637,CC1COC2CCCCC=CC([NH3+])C2(C)C1,0,GDB ChEMBL
115237,C=C1CC2CC(COC)C(C)C1C2,0,GDB ChEMBL
208558,N=C1OCC(=O)N1CC(=O)[O-],1,GDB ChEMBL
174672,CC(CCC(N)=O)CC(=O)C1NCC1O,0,GDB ChEMBL
70981,C[NH2+]CC1NCC(O)C1OC,0,GDB ChEMBL
62563,CCC1C[NH2+]C2CCCC2OC(C)(C(N)=[NH2+])C1,0,GDB ChEMBL
126964,CC1CC2CC1CC(=O)CC2O,1,GDB ChEMBL
86683,CCC1(C)CCOC(C)c2cncc(F)c2C1,0,GDB ChEMBL
125663,N#CCC(C#N)CC1CC(C(N)=O)[NH2+]1,0,GDB ChEMBL
79274,CNC(=O)C(CC#N)N1CC2[NH2+]CCC2C1C,0,GDB ChEMBL
321831,O=CNC1C=CCCCCC(O)C1=O,1,GDB ChEMBL
309804,C[NH2+]C1C(C)(O)C2C(=N)OCC1(C(N)=O)C2O,0,GDB ChEMBL
338308,CC1N(CCC[NH3+])CC(O)C2C([NH3+])C21O,0,GDB ChEMBL
87638,CC1CC2(C)CC2C(CCC[NH3+])C[NH+]1C,0,GDB ChEMBL
281785,CNc1nc(CO)cc2c(C)c(C(C)C)oc12,0,GDB ChEMBL
294253,C#Cc1ccnc(C=O)c1C,1,GDB ChEMBL
382127,CC1CCCC(OC=O)C1C[NH3+],0,GDB ChEMBL
254245,CCCCC1C[NH2+]C2C1C2(C=O)C(=O)CO,0,GDB ChEMBL
212548,CNC(=O)C(=CC(N)=O)NC(N)=[NH2+],0,GDB ChEMBL
187196,CCC1CC2C(C)CC1CCC2(C)C,0,GDB ChEMBL
367605,OCCOCCOCCOCC1CO1,1,GDB ChEMBL
247502,CS(=O)(=O)Nc1nc(=O)nccc1C1COC1,0,GDB ChEMBL
47182,Fc1cccc2c1CC13CCC4CCC1C243,0,GDB ChEMBL
128283,CN=C1COC(C(N)=O)C([NH3+])CN(C)C(=O)O1,0,GDB ChEMBL
313773,NC(=O)CNc1cc2c(N)nccc2s1,1,GDB ChEMBL
370347,Cc1cc2c(c(C)c1C(C)C)C(C)CCO2,1,GDB ChEMBL
251077,C[NH+]1CCC2(CC1)CC1(O)CC1(C)C(=O)N2,0,GDB ChEMBL
338125,CC1C2CC2C2CC(O)CC[NH+]12,0,GDB ChEMBL
79565,COC(COS(N)(=O)=O)C1NC2CNC1C2=O,0,GDB ChEMBL
151212,CCc1c(Cl)ccc(C2CC2(C)OC)c1C,1,GDB ChEMBL
166472,COC(=O)C(=O)NC(CO)C1CC[NH+]=C(N)O1,0,GDB ChEMBL
76382,NC1=[NH+]CC(CO)(OC(=O)NCCC=O)C1,0,GDB ChEMBL
274180,CN=CN(C(C)=O)C(C)C([NH3+])C(C)(C)OC,0,GDB ChEMBL
361669,CNc1snc(OCCC(=O)[O-])c1N,1,GDB ChEMBL
116598,CC(=O)NC1C2C(O)C3CCC12[NH2+]3,0,GDB ChEMBL
112629,CC#CCC1=CCCC(CN)[NH2+]CC1,0,GDB ChEMBL
19361,N#CCCCC1C[NH+]=C(CO)N1,0,GDB ChEMBL
382157,C=C(CC#N)C(=O)C(=C)CC[NH2+]C,0,GDB ChEMBL
227266,CC(C[NH3+])N=c1nc(N)c(C(=O)[O-])cs1,0,GDB ChEMBL
251896,N#CC(NC=O)C(C(N)=[NH2+])C(N)=O,0,GDB ChEMBL
29228,CCCCC(C)c1cc(CC)c(C[NH3+])n1C,0,GDB ChEMBL
260562,NC(=O)OCCC(O)CCC=O,1,GDB ChEMBL
93770,CC1CC(C(C)(C)C(C)C)C(C#N)(C#N)N1C,0,GDB ChEMBL
228462,CN1CC2OC(C1)C(C(C#N)CCO)C2CO,0,GDB ChEMBL
135396,CC#CC(C)CCCC1CCCC(=O)C1,1,GDB ChEMBL
280777,N#CC1(NC(=N)CO)CNC(=O)C1,1,GDB ChEMBL
78653,N#CC1(N)C(C([NH3+])C(=O)[O-])C1(N)CO,0,GDB ChEMBL
259128,[NH3+]CCOC1=NCCOC(=O)N1,0,GDB ChEMBL
139823,C#CC1C(C)C(CC)C1Cc1ccccc1,0,GDB ChEMBL
32059,CCCC1C=CC(C)C12CC2,1,GDB ChEMBL
39934,Cc1nc(Br)cc(=O)n1C(C[NH3+])C(N)=O,0,GDB ChEMBL
102128,CCCC1(C)CC(C#N)C(O)C(C([NH3+])CC)C1,0,GDB ChEMBL
395167,CCOC1=NC(C)CN(CC(=O)[O-])C(=[NH2+])C1N,0,GDB ChEMBL
160042,COCC1C2C([NH3+])CN1C(C)C2[NH3+],0,GDB ChEMBL
98515,CC1(c2ccc(Cl)c(Cl)c2)CC2CCCC2C1,0,GDB ChEMBL
115298,C#CC(C#C)(CC(C)CC(C)=O)OC,0,GDB ChEMBL
203625,C#Cc1cc(C2CC(=O)C2C)ccc1Cl,1,GDB ChEMBL
119642,CC[NH2+]C(C)CC(CC)OC1CC1[NH3+],0,GDB ChEMBL
179127,C#CCCC(O)c1cc(N)cc(NCCO)[nH+]1,0,GDB ChEMBL
182872,CC1CCC(C)C2C(O)CC1C2(C)C,0,GDB ChEMBL
50262,COCC1C=CC(C(C)[NH2+]C2CC2)C1,0,GDB ChEMBL
358936,CC[NH+]1C(C)C2C(=O)OCC1C1CC[NH2+]CC12,0,GDB ChEMBL
119658,CCOCC1C=C(CC)CC(C)(C)[NH+]1C,0,GDB ChEMBL
305339,CCCCC1CCC2CC(C)C3C1C23CC,0,GDB ChEMBL
69567,O=C1NCCC(=O)C2C(O1)C2C1CC1,0,GDB ChEMBL
318011,CNC(C[NH3+])c1c(C#N)ccc(F)c1C,0,GDB ChEMBL
40920,CC1C=CCC=CCc2ccccc21,1,GDB ChEMBL
363175,N#CC1CCNC(C2([NH3+])CC2)C1O,0,GDB ChEMBL
244669,OCC1=CCCCCOC2=NCCN2CC1,0,GDB ChEMBL
350945,CCC[NH2+]C(CC=O)Cc1oncc1CCC,0,GDB ChEMBL
345752,CCC1=CC([NH2+]C)C(CC)C(C)CC1,0,GDB ChEMBL
130854,CCc1ncc(Cl)cc1Cl,1,GDB ChEMBL
64660,CCC1(C2CC=CC(O)C2=O)CO1,1,GDB ChEMBL
140346,CCCC1(CCCCC=O)C(C)CCCC1C,0,GDB ChEMBL
263265,CC(O)C1CC2C(CO)C2(N)C(=O)O1,0,GDB ChEMBL
299149,CCCCOCCc1oc(C)cc1N,1,GDB ChEMBL
339037,C#CC12CC1[NH2+]C(C(=O)[O-])C(O)CC2C,0,GDB ChEMBL
267384,NC(=[NH2+])Nc1ccc([O-])cnc1=O,0,GDB ChEMBL
168468,O=C1CC2C(CCC3CCCO3)N2C1,0,GDB ChEMBL
195454,CCC1=CC(C)(C)[NH2+]CC(CC)CC1C,0,GDB ChEMBL
296388,[NH3+]C(CO)Cc1ccncc1,1,GDB ChEMBL
132510,CC1CC1C(NC(=[NH2+])N(C)C)C(=O)CO,0,GDB ChEMBL
263553,CC1CC=CC=CC=CCO1,1,GDB ChEMBL
314133,CC(CO)N(C=[NH2+])CCN,0,GDB ChEMBL
31069,C#CC(C)(CCC)C[NH2+]CC,0,GDB ChEMBL
225189,Cc1ccc(F)c2c1C1CC1C=CC2,1,GDB ChEMBL
338988,COC(CO)C(O)C1(C)CC(=N)OC1C(N)=O,0,GDB ChEMBL
201038,CC(C)CC1[NH2+]C(C)CCOC1OC(C)C#N,0,GDB ChEMBL
342581,COCC(C)C1OCC2(C(=O)[O-])CC12[NH3+],0,GDB ChEMBL
87037,CC(=O)CC12CCOCC[NH+](CC1)C2,0,GDB ChEMBL
235683,Cc1nc2cnc3c(c2s1)COCC(O)CN3,0,GDB ChEMBL
362662,CC1CC2CC(O)C=CCOC2C1O,1,GDB ChEMBL
292260,NC(=[NH2+])Nc1cc(NC=O)c(N)c(=O)nc1N,0,GDB ChEMBL
367822,CC1CC2(CC=CC2)CCO1,1,GDB ChEMBL
75842,CC1CC=C(C#N)N(C=O)C(=O)C[NH2+]1,0,GDB ChEMBL
126346,COC(=O)c1coc(C(=O)c2nnn(C)n2)n1,1,GDB ChEMBL
300123,CC(=O)C1CCC(c2ncc[nH]2)C1(C)C,0,GDB ChEMBL
374331,C[NH2+]CC(C)C1COC(N)=N1,0,GDB ChEMBL
135846,CC1COCOC2CN(C)C(=O)CC1NC2=[NH2+],0,GDB ChEMBL
354088,C#Cc1cn(C)c(C(C)C)n1,1,GDB ChEMBL
141897,C#CCCC1([NH3+])CN(C(=N)NC(=O)CO)C1,0,GDB ChEMBL
147987,CNc1ccnc2nc(F)c(C)c(F)c12,1,GDB ChEMBL
205748,NS(=O)(=O)CC1C([NH3+])CN2CC3CC3C12,0,GDB ChEMBL
311030,CC(C)C1CCC(N2CC3CC3C2=[NH2+])CC1,0,GDB ChEMBL
338984,CC(=O)NCC(O)C1CC1O,1,GDB ChEMBL
182476,CNC(=O)c1c[nH]c(C(N)=[NH2+])c1,0,GDB ChEMBL
227599,COc1cnc(N)nc1C(=N)N,1,GDB ChEMBL
76802,CC1CC2(C)OC(CC2C)C1O,0,GDB ChEMBL
255439,CS(=O)(=O)NC(C#N)C1C(N)C1([NH3+])CO,0,GDB ChEMBL
143506,CCCCC1(C)C(C)CC2CC(=O)C1C2(C)C,0,GDB ChEMBL
148497,NC(=[NH2+])C(CO)(CCC1[NH2+]CCC1O)C(N)=O,0,GDB ChEMBL
13834,CC=CC=CCC(CC)OCCC,1,GDB ChEMBL
58472,CC1C=CC2(C)C(CC(F)(F)F)CCCC12,0,GDB ChEMBL
222851,C#CC([NH3+])C#CC(O)CC(=O)NC(N)=O,0,GDB ChEMBL
375704,CN(C)CC(C#N)C1(N)C(=N)OC1CO,0,GDB ChEMBL
380330,CC1CC(C)(O)CC2C(C1=O)C(C)C[NH+]2C,0,GDB ChEMBL
130493,CNC(NCC1C[NH2+]CC1O)=[NH+]C,0,GDB ChEMBL
307467,CCC(CC)C1C([NH3+])C1C(=[NH2+])NCCC#N,0,GDB ChEMBL
31042,COC1CS(=O)(=O)N(C(C)=N)C1C(N)=O,0,GDB ChEMBL
24729,CC(C)C([NH3+])C1CC(C)(C)C1,0,GDB ChEMBL
337109,CNC1CC(C2CN2C)COC1=O,0,GDB ChEMBL
260694,C[NH2+]CCCCC(C[NH3+])CCCC(N)=[NH2+],0,GDB ChEMBL
40454,OC1CCCC(O)CC1,1,GDB ChEMBL
236591,COC(C[NH3+])C(O)C(C[NH3+])C[NH3+],0,GDB ChEMBL
119673,N#CC1(NC2=[NH+]CCN2)CCOC1,0,GDB ChEMBL
124247,CCOCc1coc(=O)c(N)c1CNC(N)=[NH2+],0,GDB ChEMBL
222132,C#CC([NH3+])C12COC1C(C)N(C)C(=O)C2,0,GDB ChEMBL
825,CC1CC(C(C)C)Cc2cc(Cl)c(C#N)cc21,1,GDB ChEMBL
182128,CCCC1[NH2+]CC1(O)C(C)(C[NH3+])C(=O)[O-],0,GDB ChEMBL
271307,C[NH2+]CCC1(C)CCC(C(O)C(C)O)O1,0,GDB ChEMBL
148861,CC(C)(C)CC(O)CCC1=CCOCC1,1,GDB ChEMBL
334615,C#CC1CC(CC)C2(C)CC(COC)CC2C1,0,GDB ChEMBL
349485,OCCC1Cc2ccc3n2C1C[NH2+]C3,0,GDB ChEMBL
147419,C#CC12CC(CC(O)CN1)C(OC)CCC2[NH3+],0,GDB ChEMBL
112472,CC1C(=O)OC2CNC(=O)CC(C)([NH3+])C21,0,GDB ChEMBL
20104,CC([NH3+])C1C(C[NH3+])C(=O)NC(C)C12CO2,0,GDB ChEMBL
161014,CC1NC(=O)C2NS(=O)(=O)C3C(C(N)=[NH2+])C123,0,GDB ChEMBL
150512,CCCOCCC1C[NH2+]C1(C)CC,0,GDB ChEMBL
318000,CCCC(OCC)C1C[NH2+]C(C)(C(C)C)C1=O,0,GDB ChEMBL
273649,CCC1CC(=O)C=CC(C)C(C)CC1C,0,GDB ChEMBL
354475,CC1CC(C(=O)[O-])C(=O)N2C(CO)C12,0,GDB ChEMBL
15522,CCC1(COC)CC(=O)CCCCC1C(C)C,0,GDB ChEMBL
270097,CC1OCCC12CC1(C(=O)[O-])CC2CC[NH2+]1,0,GDB ChEMBL
234865,C#CCN(C(=O)NC1C[NH2+]C1)c1ncns1,0,GDB ChEMBL
186582,C#Cc1ccc2c(c1)CC13C=CC(C)C1C23,0,GDB ChEMBL
5871,CNC(=O)C12COCC[NH2+]CC1(OC)CN2,0,GDB ChEMBL
340514,CS(=O)(=O)NC1C(O)CC2OCC21[NH3+],0,GDB ChEMBL
267322,C[NH+]1C(C)(C)CCCC1(C)C(N)=O,0,GDB ChEMBL
46031,COC1C2CCCCC([NH3+])C(C[NH3+])C(C)C21,0,GDB ChEMBL
289426,CN=C1NC(=O)C(C)(O)C1CO,0,GDB ChEMBL
372477,CCCC(C)(C)Cc1cc(C)c(Br)cc1CC,1,GDB ChEMBL
267922,CC1CC2CC(CC(F)(F)F)C(C[NH2+]2)C1,0,GDB ChEMBL
345810,C#CC1=CCCCC(=O)CC1(C)C,1,GDB ChEMBL
384821,O=C([O-])C1C=CC(O)C(CCC(F)(F)F)[NH2+]1,0,GDB ChEMBL
378602,CC([NH3+])CC(OS(N)(=O)=O)C(O)C1CN1C,0,GDB ChEMBL
246822,CCNC(=O)CC(C[NH3+])C(=O)OCCC(N)=O,1,GDB ChEMBL
352224,N#CC(O)C(=N[O-])C(=O)CCC(=O)[O-],0,GDB ChEMBL
298973,CC(CO)C1(CC[NH+](C)C)CC(=O)N1,0,GDB ChEMBL
70156,Cc1c(CC(F)(F)F)ccc(C(C)(C)C)c1C,1,GDB ChEMBL
244604,CC1CC2=CCC3(C)CCCC(C1)C23,0,GDB ChEMBL
284347,CC1=CC(=O)N2CCC2(C#N)C1C(N)=O,0,GDB ChEMBL
81491,CC1CC#CCC2[NH2+]CC(N1)C2O,0,GDB ChEMBL
230739,O=C1CC2[NH2+]CC(CN1)CC21CC(CO)CO1,0,GDB ChEMBL
336640,CCCN(CS(=O)(=O)CC)C(C)C,1,GDB ChEMBL
317695,O=C([O-])C1[NH2+]C2CC1C(O)C2O,1,GDB ChEMBL
369301,CCOC(=O)N(C=N)C(C(N)=[NH2+])C1C[NH2+]C1,0,GDB ChEMBL
39925,CCC(C)(C)C(C)c1cc(Cl)c(Cl)cc1Cl,1,GDB ChEMBL
222102,CC[NH2+]C1CC2CCOC1C2,0,GDB ChEMBL
297044,C#CCN(C)C1(C#N)CC(=O)C2OC21C,1,GDB ChEMBL
300959,CC(=[NH2+])NC(C#N)C1C(C(O)C(=O)[O-])N1C,0,GDB ChEMBL
190492,Cc1cc(F)cc(C(C)C#CC2CC2)c1,1,GDB ChEMBL
266259,[NH2+]=C1C=CC2C(CC=CC[NH+]2CC2CC2)N1,0,GDB ChEMBL
247517,CCC(C)C[NH2+]Cc1c[nH]c(C)c1C,0,GDB ChEMBL
249479,CC12C(C(N)=O)CC(=O)NC1C2O,0,GDB ChEMBL
365701,CC1COC1(C)CC[NH2+]CC(O)CCO,0,GDB ChEMBL
243886,[NH3+]CCC1NCC([NH3+])CC2CC21,0,GDB ChEMBL
96034,Cc1c(C(C)(C)O)nc(C[NH3+])c(N)c1C,0,GDB ChEMBL
120883,N#CC(N)(C(=O)[O-])C(CO)n1nccn1,0,GDB ChEMBL
292205,CC1C2OC2C(=O)OC1(C)C(N)=O,0,GDB ChEMBL
246958,NC(=O)C1CC([NH3+])C(OCC([NH3+])CNC=O)C1,0,GDB ChEMBL
230486,CCc1scnc1COC(C)CC,1,GDB ChEMBL
196739,CN=c1ccsc(C2C[NH2+]CCCC(=O)O2)n1,0,GDB ChEMBL
34859,CCC1CCC(C)[NH+](C)CC1(CC)OC,0,GDB ChEMBL
164639,CCCC12CC1CC(C(C)O)[NH2+]2,0,GDB ChEMBL
234411,COC(=O)NC(=O)C(CCC#N)OC,1,GDB ChEMBL
234384,CNc1cc(C)c(CC[NH3+])c(N)c1OC(N)=[NH2+],0,GDB ChEMBL
305939,CCC[NH2+]CC1OC(=O)CC(C(C)(O)C[NH3+])O1,0,GDB ChEMBL
81602,CCC(C)(C)C(C)C(C)CC(C)C,1,GDB ChEMBL
1932,C#CCC1C(C)c2ccc(F)cc2C1C,1,GDB ChEMBL
318063,C#Cc1cc(Cl)c(Cl)c2c1C(C)(C)CC(C)C2,1,GDB ChEMBL
77278,C[NH2+]C1CC(C)(C)C(C)(C(C)[NH3+])NCC1OC,0,GDB ChEMBL
89656,CC1(C)CCC[NH+]1CC1(CO)CCNC(=[NH2+])C1,0,GDB ChEMBL
251059,CN(CCC1=NCC(=O)N1)S(=O)(=O)CCO,1,GDB ChEMBL
266469,C[NH2+]C(C)CC1C(CC#N)C(C)C[NH+]1C(C)C,0,GDB ChEMBL
159734,CC#CCc1cncc(NCCC)c1Cl,1,GDB ChEMBL
127052,CC1(C)CC2=NCC(=O)N2C1COC(N)=O,0,GDB ChEMBL
295917,OCC1(CO)CC#CC[NH2+]CCO1,0,GDB ChEMBL
195391,CC(=O)Cc1nc(N)ccc1CC(O)C#N,1,GDB ChEMBL
112612,CC1=CCN(C(N)=O)C1(C#N)CO,1,GDB ChEMBL
200971,CCC1CCC2CCOC(C)C12,1,GDB ChEMBL
305784,CCC(c1cnc(NC)nc1)(C(C)C)[NH+](C)C,0,GDB ChEMBL
362568,CC1(O)C([NH3+])C1S(=O)(=O)[N-]C(=O)CO,0,GDB ChEMBL
209865,CC1(C)C2=CCC1CC=CCCCC2,0,GDB ChEMBL
362663,C#CC(C)c1c(I)cc(C(C)C)cc1I,1,GDB ChEMBL
273979,C[NH+]=C(N)CCCn1c(C)c(C)c2ccsc21,0,GDB ChEMBL
238181,CCCOC1C=C(C[NH3+])C=CC(C)C1,0,GDB ChEMBL
290126,O=C(NC(=O)C(=O)[O-])NC1C(O)C1O,0,GDB ChEMBL
358570,[NH3+]C1CC2COC(C(=O)O2)C(O)C1O,0,GDB ChEMBL
323187,CC1(C(F)(F)F)C2C[NH2+]CC(C2)C1CO,0,GDB ChEMBL
312832,CCC1(C[NH3+])CCC2CC(C1)C(CO)[NH+]2C,0,GDB ChEMBL
248675,CCC1C(C)CCC(C)C2CCC(C)([NH3+])CC12,0,GDB ChEMBL
147256,CC1(C)C[NH+](CCC[NH3+])CC(O)(CO)C1,0,GDB ChEMBL
396126,C#CC1CC(C)(C)C1c1cc(N)ccc1O,0,GDB ChEMBL
59711,CC[NH2+]C1C2CCC(C2)[NH+]2CCC1C2,0,GDB ChEMBL
150084,CC(=O)N1CC2CC(=O)OC2(OCC(N)=O)C1,1,GDB ChEMBL
330795,CCC1(CC)CC(C)CCCCC(=O)O1,0,GDB ChEMBL
109496,OCC(c1cnns1)N1CC[NH2+]CC1,0,GDB ChEMBL
76518,CCC1CC=CCC(C)CC1C,0,GDB ChEMBL
245834,CC1C2NC(CO)C(=O)OC12,0,GDB ChEMBL
301140,C#CC1(C(C)C)C=CCC[NH2+]CCO1,0,GDB ChEMBL
153689,Cc1nc(CCC2(C)CC2)cs1,1,GDB ChEMBL
153740,O=C([O-])C(O)CCn1cc([O-])nn1,0,GDB ChEMBL
288966,C1#CCOC2C[NH+](CC1)C2,0,GDB ChEMBL
281161,CC1(C(N)=O)CCCC2OC2(CO)C1,0,GDB ChEMBL
109575,NC(=O)NC1C(O)CC2N=C(N)OC21,1,GDB ChEMBL
173171,NC(=O)NC1=NC2CC(N1)C(O)C2O,0,GDB ChEMBL
339990,CCC1[NH2+]CCCCC2CC2C2CCC1C2,0,GDB ChEMBL
280607,CN(CC(=O)[N-]C(=N)OCC[NH3+])C(=O)C#N,0,GDB ChEMBL
31346,COC(=O)CC1(C(N)=[NH2+])C(O)C1C(C)[NH3+],0,GDB ChEMBL
348430,CCC12OCC(CCC1C)[NH+](C)C2C,0,GDB ChEMBL
310167,CC(C)(C)CCc1cccc(Cl)c1,1,GDB ChEMBL
296028,COC1C2OCCNC12CO,0,GDB ChEMBL
331713,CNC(=O)C(CS(=O)(=O)[O-])OC,0,GDB ChEMBL
45661,CC1C(=O)NCCC2C(C)C12,0,GDB ChEMBL
304262,COC(C)C(O)C(O)c1cnc(N)nn1,1,GDB ChEMBL
304331,CC1CC2(C(C)[NH3+])OCC(O2)C1CC(=O)[O-],0,GDB ChEMBL
337387,CCC1CCCC2CC2C2CC(C[NH2+]1)C[NH2+]2,0,GDB ChEMBL
42243,CCNC=[NH+]C(CO)CCCOC,0,GDB ChEMBL
4812,Nc1cnc(NCCC2CCC2)c(Br)c1,1,GDB ChEMBL
244624,N#Cc1[n-]nnc1OCC(=O)[O-],0,GDB ChEMBL
268138,Cc1c(I)cc(C([NH3+])C(C)C)cc1I,0,GDB ChEMBL
320417,CCC(O)C1C2CCC1(C)C(CO)C[NH2+]2,0,GDB ChEMBL
6802,CCC(C)(CC(C)(C)C)c1ccc(C)c(F)c1,1,GDB ChEMBL
274949,Cc1cc(F)c2nc1NCCC(C)C#CC2,0,GDB ChEMBL
81571,CCCC(CC)(CC(C)(C)C)CC(C)(C)C,0,GDB ChEMBL
269376,N#CC(O)CN=CNC(=O)NCC(N)=O,1,GDB ChEMBL
143526,[NH3+]C(CO)C1(O)C2C(=O)NCCCC21O,0,GDB ChEMBL
35295,CCC1C(CC#N)C2[NH2+]CC(O)CC12,0,GDB ChEMBL
229413,C#CC[NH+](C)C1C(O)CC2C(C)(C)C12C,0,GDB ChEMBL
179427,O=Cc1cnsc1CCC(=O)[O-],1,GDB ChEMBL
161380,[NH3+]C(C(=O)[O-])C1(O)CC1CO,1,GDB ChEMBL
288451,C#CC1=CCC(CO)CCC1,1,GDB ChEMBL
34724,CCCn1nc2c(c1CC)OCC(C)(C)CN2,1,GDB ChEMBL
273792,CCNc1nnc(CCCNC(C)=[NH2+])o1,0,GDB ChEMBL
155818,[NH3+]C1C(O)C(CCCNC=O)C(C(=O)[O-])C1O,0,GDB ChEMBL
95487,C[NH2+]CC(CN)NC(N)=[NH2+],0,GDB ChEMBL
354450,CCC1C=CC(C)=CC(CCO)C1C,0,GDB ChEMBL
398815,CC([NH3+])C1(Nc2cccc(F)c2O)CC1,0,GDB ChEMBL
316125,CCNC1CN(C(N)=[NH2+])C(CO)C1(O)C(N)=O,0,GDB ChEMBL
87067,CC1CC(O)C(C#N)NC2CC12,0,GDB ChEMBL
124319,CC(C)CN=C(CC1COC1)OC(C)CO,0,GDB ChEMBL
326421,CCCC1(C)OCc2cc(N)nc(C(C)O)c21,0,GDB ChEMBL
64607,CCC1CC2(CC2)C2=CCCCC21,1,GDB ChEMBL
83156,C[NH2+]CCCCc1c[nH+]c([O-])cc[nH]c(=[NH2+])[nH]1,0,GDB ChEMBL
67615,C[NH+]=C(N)NC1CC([NH3+])C(O)C(N)C1O,0,GDB ChEMBL
201142,CCC1CCC(CC)OCC(C)C(C)(C)CC1,0,GDB ChEMBL
58924,CN1CC2NC(C2=O)C1C(=O)[O-],0,GDB ChEMBL
159877,CCC1(c2cc(C)cc(C)c2Cl)CCC1,1,GDB ChEMBL
222119,N#CCCCC#CC1C2CC[NH+]1CC2,0,GDB ChEMBL
136731,NC(=O)CC12OC1C[NH2+]C2CS(=O)(=O)[O-],0,GDB ChEMBL
259476,CCC([NH3+])(C[NH2+]C)C(C)(C)O,0,GDB ChEMBL
274127,Nc1cnc(CC([NH3+])C(=O)[O-])sc1=O,0,GDB ChEMBL
398160,COC1C([NH3+])C2C=CC(NC2=O)C1O,0,GDB ChEMBL
220206,CC1C2CC(O)C1CN(C1=[NH+]CCCC1)C2=O,0,GDB ChEMBL
288648,Cc1c(I)cccc1CCCCC(F)(F)F,1,GDB ChEMBL
46002,CCC(N)(C[NH2+]CC(=O)[O-])C(N)C(=O)OC,0,GDB ChEMBL
208424,CCC1=CCC(C(C)O)C1CO,0,GDB ChEMBL
288171,OCC1C2C[NH2+]C(C2)C2CCCC1N2,0,GDB ChEMBL
333872,CC1CC(C)(CCCN2CC=CC2=O)C1,1,GDB ChEMBL
59659,NC(=[NH2+])c1ccn2nc(F)nc(N)c12,0,GDB ChEMBL
111468,CC(C)C(=O)CC1[NH2+]CC(C)(C)OCC1CO,0,GDB ChEMBL
161794,C[NH2+]C1C=CC(=O)C1c1ccco1,0,GDB ChEMBL
209487,N#CC(CC(O)C(=O)[O-])n1cnnn1,1,GDB ChEMBL
345721,COCC(O)C(=O)Nc1nc[nH]n1,1,GDB ChEMBL
370365,C#CC1COC2CC(O)C(C2=O)C1CCC,0,GDB ChEMBL
280686,[NH3+]CC1C2CN(CCO)S(=O)(=O)C12,0,GDB ChEMBL
70352,CC1(C)C=C2C(NS(C)(=O)=O)CC(N)C2[NH2+]1,0,GDB ChEMBL
318378,CCCC(C)(C)OC(C)C1(OC)CCCC1C,1,GDB ChEMBL
55533,C#CC1(C)CC(O)CC(CO)O1,1,GDB ChEMBL
238155,N=C1NC(C(N)=O)CC1(O)CO,1,GDB ChEMBL
182095,O=C1CCC2CCOCC3C2N13,0,GDB ChEMBL
342358,CC1CC2C=CC1C1(C)CC(C)[NH+]2C1,0,GDB ChEMBL
348576,CCC(CO)OC1C(OC)OCC1C(C)C#N,0,GDB ChEMBL
114985,CCC1C(C#N)CC2CC=CCCCCC21,0,GDB ChEMBL
134733,COC1(CO)C(C(N)C(N)=O)C1([NH3+])CO,0,GDB ChEMBL
93079,CC(C)C[NH+]1CCC2(CC=CCC2)CC1,0,GDB ChEMBL
209682,C[NH+]1CCCC12COC(N)=NC(C)(C#N)C2,0,GDB ChEMBL
26575,CNc1cnc(O)n1CCC(=O)OC,1,GDB ChEMBL
3980,C[NH+]1CCC2CCCC=C2C1,0,GDB ChEMBL
191265,C#CC(=O)Nc1c(O)cc(CC)c(=N)nc1C,0,GDB ChEMBL
323208,CC1CCCN2C(C[NH3+])C12,0,GDB ChEMBL
222875,C#CC1C2CCC(C)C(=O)N12,0,GDB ChEMBL
271133,C[NH2+]C1CC(C(N)C(F)(F)F)C1,0,GDB ChEMBL
368507,CCC[NH+](C)C1(CC#N)CC(OC)C1,0,GDB ChEMBL
284275,C#CCCC(C(N)=O)[NH+]1CCCC1C,1,GDB ChEMBL
26971,CC1C(=O)N2CC3OCC1C32C#N,0,GDB ChEMBL
207362,CC(=O)CC1C2C3COCC(C3C)C2C[NH+]1C,0,GDB ChEMBL
367823,CCCC(C)(C)CCC(=O)COC1CCC1,1,GDB ChEMBL
132187,COCC([NH3+])c1ccc2c(=O)oc(Cl)cc2c1,0,GDB ChEMBL
300206,CCCC1C2CC(C(C)C2C)C1(CCO)[NH2+]C,0,GDB ChEMBL
308276,N#CC1NCC(O)C(CO)C1N,0,GDB ChEMBL
354457,CCOC1C2CN(C)C1C(=N)O2,0,GDB ChEMBL
248217,CCC(NC=O)C12C=CC(O)C1[NH+](C)C2,0,GDB ChEMBL
186544,CCC1CCC2C(C)[NH2+]CC12C,0,GDB ChEMBL
235628,CCCCC(C#N)OCC1CC(=O)N1,1,GDB ChEMBL
316147,CNC(=O)NC1CN2C(=O)CC=C12,0,GDB ChEMBL
354418,CC1CC2CCC(=O)C(C)(C1)C2,1,GDB ChEMBL
201493,CCC(C#N)C1(C)CCC(C[NH2+]C)(OC)CC1,0,GDB ChEMBL
255422,CCNC(=O)C1OCC(=O)C2(C)CC(N)=[NH+]C12,0,GDB ChEMBL
50104,NC(=O)OC1(C(N)=O)CN=C(OCC(=O)[O-])C1,0,GDB ChEMBL
45903,CC1(C)c2ccc(Cl)cc2NC2CC1C2,1,GDB ChEMBL
345744,CC(O)C(CC[NH3+])CCC1(C)CC([NH3+])C(=N)O1,0,GDB ChEMBL
317566,CCCCC(C)(C)N1CCC[NH2+]CC1=[NH+]CC,0,GDB ChEMBL
186663,CC(=O)n1ccc(C)c1O,1,GDB ChEMBL
126400,CCN(C)C1CC2CC([NH3+])CCC1[NH2+]2,0,GDB ChEMBL
186630,C#CCC1(C#C)c2cc(Cl)cc(C)c2CC1C,0,GDB ChEMBL
66654,CCC1=CC=CC(C)=CCCC(C)C1,0,GDB ChEMBL
22851,COC(=O)C(O)C12CC1NS(=O)(=O)C2CO,0,GDB ChEMBL
34740,[NH3+]CC1C(=O)OC(CO)C1Cc1nc[nH]n1,0,GDB ChEMBL
257557,CCCC1OC(C[NH+](C)C)C2(C#N)OC12,0,GDB ChEMBL
308163,CC(C)N(C)C(=O)C1(C)C(C)CCC([NH3+])C1O,0,GDB ChEMBL
228863,CC([NH3+])CNc1ccoccnc(C(C)[NH3+])n1,0,GDB ChEMBL
278843,CN(C(N)=[NH2+])C(CCO)CC(N)=O,0,GDB ChEMBL
352591,CN=C1OC2C[NH2+]CC3CCCC3C1C(O)C2,0,GDB ChEMBL
379260,[NH3+]C(CO)CNC(=O)Nc1ncncn1,0,GDB ChEMBL
296332,C[NH2+]CC(O)(C=C(C)C)CC(C)C,0,GDB ChEMBL
199441,CCC1CC=CC(O)C(=O)CCC1,0,GDB ChEMBL
398216,CC1CNc2sccc2C(N)C(=O)N1,1,GDB ChEMBL
130606,N#CCC1CC(=NO)CC(C(O)CO)N1,0,GDB ChEMBL
160972,CCC(=O)OCC(O)(CC1CC1[NH3+])C(N)=[NH2+],0,GDB ChEMBL
157371,[NH3+]C1CC2CC1[NH2+]CCC21OCOC1C(=O)[O-],0,GDB ChEMBL
291939,C#CC(O)(COC)C(C)([NH3+])C1(C#N)CNC1,0,GDB ChEMBL
237992,C=CCNC(=O)C(=O)N(C)CC=O,1,GDB ChEMBL
9972,CCC12CCC3CCCC3C1CC(C)C2(C)O,0,GDB ChEMBL
248263,CC(=O)C12CC(O)C(OC1C)C2(C#N)C(N)=O,0,GDB ChEMBL
247191,CCCC12CC(C)(CC1C)C[NH+]2C,0,GDB ChEMBL
398981,C1CC[NH2+]C2C[NH+]=C(C2)NC1,0,GDB ChEMBL
191711,C#CC(CN1CC1)Nc1ccccc1F,1,GDB ChEMBL
244321,C#CC(C#C)n1nc(C)c2cc(F)cnc21,1,GDB ChEMBL
261476,C[NH2+]CCN=CNc1cc(=O)[nH]cn1,0,GDB ChEMBL
332361,Cc1c(O)c(NC2CC2)c(O)c(N)c1C#N,1,GDB ChEMBL
254918,C#CCC1CC2C(C)(C)CCC2(C)CCC[NH2+]1,0,GDB ChEMBL
395133,C[NH2+]CCNS(=O)(=O)C1CC(OC)C1C=O,0,GDB ChEMBL
65904,CC1C=CCC(CO)C[NH+]1C,0,GDB ChEMBL
184262,CC([NH3+])c1nonc1OCC(=O)[O-],0,GDB ChEMBL
84868,N#CC1C(O)C(=O)NCCN2C=[NH+]C(CO)C12,0,GDB ChEMBL
54785,CNC(=O)C1CS(=O)(=O)NC2CC2(O)C1O,0,GDB ChEMBL
221713,COC1CC=C(CC[NH3+])C1CC1CC1,0,GDB ChEMBL
361649,CC1(Cc2cscn2)OC(=O)C2CC21,0,GDB ChEMBL
98896,C=CC1CC2[NH2+]CC(C2CC)N1C,0,GDB ChEMBL
48744,CCC1Cn2cccc2C12CC2,1,GDB ChEMBL
332441,CCC(CC)OC1(CC#N)CCC1,0,GDB ChEMBL
209461,CC1CC2C(CC[NH2+]1)C2(C)C,0,GDB ChEMBL
58511,N=C1OCC2C(O)C([NH3+])C(C(=O)[O-])N12,0,GDB ChEMBL
70045,CC(O)CCC1CC([NH3+])C(O)(CC[NH3+])C1,0,GDB ChEMBL
269316,COC1(C(=O)[O-])CNS(=O)(=O)C1C,0,GDB ChEMBL
35703,CCC(C)CC1CC2C(C)(C)CC1(C)C2(C)C,1,GDB ChEMBL
397039,C#CC(C)(Oc1cc(O)c(Cl)cc1C)C(=O)[O-],0,GDB ChEMBL
234856,O=CCC1C[NH+]2CC=CCC1C(O)C2,0,GDB ChEMBL
10994,C#CCC1=CCC(CCC)C(O)C1,1,GDB ChEMBL
64056,C[NH2+]C1CC(=O)OC1(C)OC1C[NH2+]C(C)C1,0,GDB ChEMBL
24785,C[NH2+]C1CCC2(C)CCCC1CCCCC2[NH3+],0,GDB ChEMBL
79309,C#Cc1c(NC)[nH+]c(=N)c([O-])c(OC)c1C,0,GDB ChEMBL
337117,CC[NH+]1CCOC(CNCC(=[NH2+])NC)OCC1,0,GDB ChEMBL
395174,CC1c2cccc3c2C2C4C1CC(C3C)C24,0,GDB ChEMBL
203611,C#Cc1cc(Br)c(Br)c(C(C)C#N)c1CCC,1,GDB ChEMBL
398754,CCCCC(C)C(C)CC(C)C(C)C,0,GDB ChEMBL
50093,C#CC1CC2(CCCC(C[NH+](C)CC)C2)O1,0,GDB ChEMBL
17463,CNC1=[NH+]C(C)CN(C)C1C(N)(C#N)C(N)=O,0,GDB ChEMBL
274628,C[NH+]1C2C=CC1CCCCCC2,0,GDB ChEMBL
136120,CC(NC(N)=[NH2+])C1CNC(=O)OCC1=NO,0,GDB ChEMBL
395664,C#CC[NH2+]C(CCC)Cc1ccco1,0,GDB ChEMBL
127775,CS(=O)(=O)NCC1NCC(C2CO2)C1=O,0,GDB ChEMBL
277716,CCCC1CC2CCC(C(C)C)CCC1(C)O2,0,GDB ChEMBL
240486,CC1CC2NC(=N)NC(=O)CC2C(N)=[NH+]1,0,GDB ChEMBL
104728,NCC[NH2+]CC1CC(=CC2CC2)C1,0,GDB ChEMBL
235490,CC1CCC2(NCC#N)C([NH3+])C12,0,GDB ChEMBL
334391,CCC1CC(C)CNC=[NH+]1,0,GDB ChEMBL
176436,CNC1=NCC(O)CC(=N)OC1C(=O)[O-],0,GDB ChEMBL
265285,COC1CC2(C(C)C)CC(CO)C1C2O,0,GDB ChEMBL
395106,CC1C(C)C2C3CCCC3C1C1CCCC12,0,GDB ChEMBL
202804,Cc1ccc(CCCc2cccnc2)cc1I,1,GDB ChEMBL
232047,COC(CC(C)[NH3+])C(N)C[NH3+],0,GDB ChEMBL
255497,O=C([O-])C1=CC2(CO2)C(CC2CC2)C1,0,GDB ChEMBL
338843,NC1=NC2C(C(=O)[O-])NS(=O)(=O)C2O1,0,GDB ChEMBL
378550,CC(C)(C)Oc1ccnc(F)c1NC(=N)CN,1,GDB ChEMBL
221654,COC1C(O)COC(C)C1O,1,GDB ChEMBL
195422,C#Cc1cc(C[NH2+]CC)c(O)c(CO)c1Cl,0,GDB ChEMBL
324271,CC[NH2+]CCc1c(N)nc(C)c(F)c1CC#N,0,GDB ChEMBL
161811,C=Cc1cc(N)c(CC)c(CC)c1,1,GDB ChEMBL
155801,C#Cc1c(C)cc(CO)c2c1C(CC)CCO2,0,GDB ChEMBL
13782,CCCC(C)(CC)CC1C=C(C)CC=CC1,0,GDB ChEMBL
288120,C[NH2+]C1CC=C(NC=O)C(=O)NC1,0,GDB ChEMBL
73263,CC(C)COC(=O)CN(C)S(=O)(=O)CN,1,GDB ChEMBL
6857,CC1(O)CCCC2CC(O)C1C2,1,GDB ChEMBL
50369,CC1C2CC(C1O)C(C)(CCO)C2,0,GDB ChEMBL
191707,CC12COC3C(CC([NH3+])C31)C2,0,GDB ChEMBL
148913,CCC([NH3+])C1(C)OC1COC,0,GDB ChEMBL
281814,C[NH2+]CC1C(CO)CC2N=C(NC(C)=O)NC21,0,GDB ChEMBL
24250,N#CCC1C=CN(C(=O)CC2CC2)C1,1,GDB ChEMBL
95891,CCC12CCC(CC[NH3+])CC1(C(C)C)C2,0,GDB ChEMBL
300970,CC1CC2CCCC1C1COCCC(C)(C2)[NH2+]1,0,GDB ChEMBL
370338,C[NH2+]CCC(C)c1nocc1N,0,GDB ChEMBL
117305,C[NH2+]C1(CCO)COC(=O)OC1,0,GDB ChEMBL
174184,NC(=O)NC1C([NH3+])C12CC(O)CCC(=O)O2,0,GDB ChEMBL
76048,Cc1cc(C[NH3+])c(C)n1CC[NH3+],0,GDB ChEMBL
13190,O=C1NCC(OCCO)C12CN2,0,GDB ChEMBL
117323,CCC1CCC2[NH2+]C3CC([NH3+])CC3C12,0,GDB ChEMBL
49161,C#CC1CCCCC(O)C(C)C1CC,0,GDB ChEMBL
391316,CCOC(=O)N(C(C)=O)C1(C[NH3+])CC1O,0,GDB ChEMBL
75062,NC(=O)NCCC(=O)N1CCOCC1CCO,1,GDB ChEMBL
180983,CC(C)OCCC1=CC=CCCC1=O,1,GDB ChEMBL
265271,C#CC1(c2ccc(Br)cc2)CC[NH2+]1,0,GDB ChEMBL
115290,C1CCC(CC[NH2+]C2CC2)(C2CC2)C1,0,GDB ChEMBL
316451,CC#CCC1OC1C(CC)CCC,1,GDB ChEMBL
95490,COCC[NH+]1CC2C(O)C21,0,GDB ChEMBL
207267,C#CCC1C2CC(C)CC[NH+]12,0,GDB ChEMBL
55497,[NH3+]Cc1[n-]nnc1C(=O)NC(=O)CO,0,GDB ChEMBL
102318,COCC=CS(=O)(=O)NC(C[NH3+])C[NH3+],0,GDB ChEMBL
289240,C#CC1(OC)C([NH3+])COC1CCO,0,GDB ChEMBL
216571,C#Cc1c(N(C)C)cc([N+](=O)[O-])c(Cl)c1C#N,1,GDB ChEMBL
298046,CC1(NC(=O)C[NH3+])CC1[NH3+],0,GDB ChEMBL
152532,CNc1c([O-])nsc1C(CC(=O)[O-])OC,0,GDB ChEMBL
375548,CNC(=O)NC(=O)C(C=O)CCO,1,GDB ChEMBL
230257,C#CCCC1(CC)C(CC)CCC1C1CC1,0,GDB ChEMBL
380260,CNc1nc(N)nc(C(N)=[NH2+])c1C,0,GDB ChEMBL
234266,CCCCc1cc(NC)c2c(C)n(C)cc2c1,0,GDB ChEMBL
54819,CCOCC=C1C[NH2+]CC1C(C)C,0,GDB ChEMBL
126835,N#CCC1(C[NH3+])C(C(=O)[O-])OCC(CO)C1O,0,GDB ChEMBL
119416,CCC1CC2(C)CCCC1(C)C2CC,0,GDB ChEMBL
263436,CCOc1c(C[NH2+]C)n[nH]c1C(O)C1CC1,0,GDB ChEMBL
311029,NC1=Nc2c(Cl)cccc2CNCC(=[NH2+])N1,0,GDB ChEMBL
339116,CNC1C(NC(N)=[NH2+])CC1C(C)[NH3+],0,GDB ChEMBL
275575,CC1=CC(O)C([NH3+])C1COS(N)(=O)=O,0,GDB ChEMBL
387089,CC([NH3+])C1CCC12COCC2O,0,GDB ChEMBL
230214,Cc1c(F)ccc2c1CC(O)(CO)CCCO2,1,GDB ChEMBL
210158,CCCOC(=[NH2+])N1CC([NH3+])C1,0,GDB ChEMBL
304401,COC(=O)CC1CNC(C=O)C(=NO)CO1,0,GDB ChEMBL
187254,CCC1(C)C2CC1C(OC)C(C)C[NH2+]2,0,GDB ChEMBL
358636,CC1CC(C)(C)C(=O)CN1,1,GDB ChEMBL
129549,CC1C=C(CC(F)(F)F)C2CC(=O)OC12,0,GDB ChEMBL
199473,C[NH2+]CCC1C=CCC(C)(CO)C1OC,0,GDB ChEMBL
153333,[NH3+]C12CNC(=O)C13CC(=O)OCC23O,0,GDB ChEMBL
337176,CC(=O)NC(N)=NC(CO)C1(NC=[NH2+])CC1,0,GDB ChEMBL
21534,COC(C)C1C2C3C=CCC(C32)[NH+]1C,0,GDB ChEMBL
81055,OCC1CCC2Cc3occc3C2[NH2+]1,0,GDB ChEMBL
1989,CCC([NH2+]CCO)(C(N)=O)C(C)O,0,GDB ChEMBL
337957,OC1CCC2C[NH2+]C1C2O,0,GDB ChEMBL
218600,C#CC[NH+]1CCCC2COC2C2CCCC21,0,GDB ChEMBL
9825,C#CCCC(C(C)C[NH3+])C(F)(F)F,0,GDB ChEMBL
45940,CC#CC(C#N)N1CC(C)NC1=[NH2+],0,GDB ChEMBL
99561,CC1([NH2+]C2(CO)CC(=O)C(=O)C2)CCCC1,0,GDB ChEMBL
372553,[NH3+]C12CCNC(=O)C3C1OC32,0,GDB ChEMBL
71313,CC(C1=CC=CC1)[NH+](C)C(C)(C)C,0,GDB ChEMBL
141797,NS(=O)(=O)OC1(C(=O)[O-])CC(O)C1,0,GDB ChEMBL
346827,COC1OC(C[NH3+])C([NH3+])CNC1C(O)C[NH3+],0,GDB ChEMBL
192582,CCCC12C(OC)CCC1C2C(C)=NO,0,GDB ChEMBL
382223,CCC(C1C=CCC(C)C1)C(C)(O)CC,0,GDB ChEMBL
207407,CCOCC(C#N)C(=O)OC1CC(C)C(C)O1,1,GDB ChEMBL
112834,CCOC1C2C3C[NH2+]C12CN3C,0,GDB ChEMBL
84482,C[NH2+]C1(C(C)CC(=O)[O-])CCCOC1COC,0,GDB ChEMBL
104635,CCC(C)C1(CO)OC1S(N)(=O)=O,0,GDB ChEMBL
391696,CCC([NH3+])Cc1cn(C)c(-c2ccn(C)c2)n1,0,GDB ChEMBL
380570,C#Cc1cc(C)c2c(I)cccc2c1,1,GDB ChEMBL
18636,[NH3+]C1C[NH2+]CC(O)C2CCCC([NH3+])(CO)C2C1,0,GDB ChEMBL
274625,COc1nc(O)c(S(N)(=O)=O)c(F)n1,1,GDB ChEMBL
195423,COCCC12C(C(=O)[O-])C1C(=O)[N-]S2(=O)=O,0,GDB ChEMBL
195314,CCNC(=O)OC12COC1C2,1,GDB ChEMBL
281993,N=C(N)NC(=O)C1C(O)C([NH3+])C1C(=O)[O-],0,GDB ChEMBL
195257,C[NH2+]CC1CC2CC(C1)C2(C)[NH3+],0,GDB ChEMBL
23564,N#CC1C(=O)CN1CCCO,1,GDB ChEMBL
70140,C#CC1CCC(CC)C[NH2+]CCC=CC1O,0,GDB ChEMBL
9800,CN1C(C(=O)NC(N)=O)C1(C#N)C(O)C[NH3+],0,GDB ChEMBL
358502,C=C1CC(C(C)O)C[NH+](C)CC1C,0,GDB ChEMBL
117322,COC(C)C(O)CS(=O)(=O)[N-]C(=O)CO,0,GDB ChEMBL
267340,CCC1(C(N)=[NH2+])NC(C[NH3+])CC1NC(=O)CO,0,GDB ChEMBL
286327,CCC1CCOCC[NH2+]C2C(C)C=CCC12,0,GDB ChEMBL
386441,CC(C)(CC[NH+]=C(N)NC(N)=O)OCC=O,0,GDB ChEMBL
286160,CC1CCC2CCC(CC#N)C[NH+]12,0,GDB ChEMBL
369908,C#CC1[NH+](C)CC2CC(C)C(OC)CC1(C)C2,0,GDB ChEMBL
362010,Oc1cc2n(c1)C(C1CC[NH2+]CC1)C1OC21,0,GDB ChEMBL
115273,C#CCCCC1(C)CCC1CCC,0,GDB ChEMBL
375698,CC1C(=O)NCCC2([NH2+]CC2O)C1N,0,GDB ChEMBL
127491,C#CCCC(CC)C1CCC(C2CCCC2)C1,0,GDB ChEMBL
127703,CC#CCC(C)C(CC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
174849,NC(=[NH2+])C1(C(N)CO)OC(=O)[N-]C1=O,0,GDB ChEMBL
33211,Cc1ccc(F)cc1C1=CCC2C(C)CC12,1,GDB ChEMBL
137419,CC1(CO)C(C(=O)[O-])NC(=N)S1(=O)=O,0,GDB ChEMBL
273438,C#CCC(C(=O)CCC)c1cccc(I)c1,1,GDB ChEMBL
177839,CC#Cc1cc(I)c2c(c1)CC([NH2+]C)CC2,0,GDB ChEMBL
170115,CCCCCC1=CC(C(C)(C)O)C(C)C1,1,GDB ChEMBL
273627,CCCC1CC([NH3+])CC(CC)C2CC12,0,GDB ChEMBL
36044,CC(=O)c1cc2c(cc1Cl)C[NH2+]C2,1,GDB ChEMBL
257536,Cc1nc(=O)c(Cl)c(C[NH2+]CC(C)(C)CO)s1,0,GDB ChEMBL
122921,CC(CCO)c1nc(C(=O)[O-])ccc1F,0,GDB ChEMBL
284803,NC(=O)C(O)C(O)C1CC2CC1S(=O)(=O)N2,0,GDB ChEMBL
112402,CC#Cc1c(O)cc(NC)c(F)c1C,1,GDB ChEMBL
244561,C[NH2+]C1CC(OS(N)(=O)=O)C(C=O)C1O,0,GDB ChEMBL
398868,O=C([O-])C1[NH2+]CC2CC1C2O,1,GDB ChEMBL
155177,CCC1(O)C[NH2+]C(C=O)C1OS(N)(=O)=O,0,GDB ChEMBL
229473,C#CC(C(C)C1CC1)[NH+](C)C,0,GDB ChEMBL
245555,CCCC1(C2OCCO2)CC1,1,GDB ChEMBL
126341,CC1CC2C(CCC(C)(C)C[NH2+]C2(C)C)[NH+]1C,0,GDB ChEMBL
70958,CNC(=[NH2+])Nc1cc(N)nc(C[NH3+])c1I,0,GDB ChEMBL
288142,NCC1NC(N)=[NH+]C(C(N)=O)C2OC12,0,GDB ChEMBL
27930,CC1CC2CC(C(C)C)C3C(C[NH2+]1)C23,0,GDB ChEMBL
81574,CC(O)C(CNC(N)=[NH2+])NC1CC1(O)C=O,0,GDB ChEMBL
372629,CCCCCC1C2CC(C)(C)C1CC2C,0,GDB ChEMBL
377812,CCC(C1CC1C)[NH+]1CCCC1C,0,GDB ChEMBL
300484,CC(COC(C(=O)[O-])C1(C(N)=O)CO1)=NO,0,GDB ChEMBL
320802,CCNC(=O)Cc1ncc(O)nc1O,1,GDB ChEMBL
308229,CC1NC(C(N)=[NH2+])C(O)C(=O)C1CO,0,GDB ChEMBL
274021,Cc1[nH]cc2c1CCC2[NH2+]CCCC(F)(F)F,0,GDB ChEMBL
115754,C=C1C[NH+]=C(C)N(C2CC[NH2+]C2)C1,0,GDB ChEMBL
81797,COC1COC2(C(=O)[O-])C([NH3+])C12,0,GDB ChEMBL
108709,CC1CC2(CCCC2)CC1=CC=O,1,GDB ChEMBL
41312,CC12CCc3cc(I)ccc3C(C1)C2,0,GDB ChEMBL
204552,CCCN=C(NC(=N)OCC)S(C)(=O)=O,1,GDB ChEMBL
337192,COC1C(C#N)C1CC(C)(C)C,1,GDB ChEMBL
101516,C=CC1(O)CN(C(C#N)C(C)O)C1,1,GDB ChEMBL
286882,CC1OC(=O)NC(=O)C2C(O)C12,0,GDB ChEMBL
31305,O=C(CCC(O)CCO)C1CC1,1,GDB ChEMBL
49157,CC1C23COC(CC(=O)N2)C13O,0,GDB ChEMBL
135801,CCN=C1C(C)NC(=O)N1CCC#N,1,GDB ChEMBL
227763,CCN(C=NC(CC[NH3+])C(C)O)CC#N,0,GDB ChEMBL
173689,CC1CC2(O)CCC1C2(C)C,1,GDB ChEMBL
254207,CCC(C)(CC[NH3+])CC1(O)CNC(=[NH2+])C1,0,GDB ChEMBL
308009,CCCC12CCC(C)=CC(C)CC[NH+](C1)C2,0,GDB ChEMBL
215262,CCN1CC(=N)OCC1(CC[NH2+]C)C(C)C#N,0,GDB ChEMBL
50114,CCOC1CC2CCC(C2)C2[NH2+]CC(C1)C2[NH3+],0,GDB ChEMBL
203865,CC(=O)C1[NH2+]C(C)C(C(C)C[NH+](C)C)NC1C,0,GDB ChEMBL
203568,CCOC1C(=O)C(N)=NC(C(C)COC)C1O,0,GDB ChEMBL
62798,CC1CCCC=C2CC1C(=O)C21CC1,1,GDB ChEMBL
48739,C#CCOCC(C(N)=O)C([NH3+])(CC)C(C)(C)C,0,GDB ChEMBL
47385,CN=c1[nH]c(NC)nc(=O)cc1C#N,0,GDB ChEMBL
392230,CCC1c2cccc(C)c2C(C)CC1C(C)C,0,GDB ChEMBL
18804,CC[NH+]1CCC=CC2(N)CC([NH3+])CC(O)C12,0,GDB ChEMBL
352711,NC1CS(=O)(=O)N2CC(C[NH3+])NC(=O)C12,0,GDB ChEMBL
191400,CS(=O)(=O)[N-]C(=O)C1C[NH2+]CC2NC21,0,GDB ChEMBL
34808,CN1C2CCC(C=C(C(=O)[O-])C2)S1(=O)=O,0,GDB ChEMBL
391592,Cn1c(S(C)(=O)=O)cc([O-])c1C(N)=O,0,GDB ChEMBL
308311,C[NH2+]C1C(C)C2C([NH3+])C2C1OC,0,GDB ChEMBL
330024,N#CC1(CS(N)(=O)=O)C(O)CC(=O)N2CC21,0,GDB ChEMBL
84572,CC1CC(NC(=O)C=O)C(CO)O1,0,GDB ChEMBL
201133,CC(=CC#N)C1CCCC12CCC2,1,GDB ChEMBL
362375,CC(=O)c1scnc1OC1(CO)COC1,1,GDB ChEMBL
346493,CC(C)CCC(C)(C)C1(C)CCC(O)C1,0,GDB ChEMBL
201704,NC1CC(CS(=O)(=O)[O-])[NH2+]C1CO,0,GDB ChEMBL
254872,CC(O)CC1CC(=O)NCC1(C)C[NH3+],0,GDB ChEMBL
243770,CCC1CC(C)(O)C=C1CCC(F)(F)F,1,GDB ChEMBL
299720,C[NH2+]CCC(C)(C(C)C)C1CC1C,0,GDB ChEMBL
281015,CCCCC1[NH2+]CCC(C)C=C1CO,0,GDB ChEMBL
122844,CCN(C(C)=[NH2+])C(Cc1nsnc1[O-])C(N)=O,0,GDB ChEMBL
119991,CC[NH+]1CCC(=O)NCC(C)(C)CC1C(C)=O,0,GDB ChEMBL
245801,CC(=O)NC12C(=O)OC(CC1[NH3+])C2NC(N)=O,0,GDB ChEMBL
257491,CC1(O)C(C([NH3+])CN)CCC1C([NH3+])C(=O)[O-],0,GDB ChEMBL
94737,NC(=O)C1(C=O)CC(=O)CC1O,0,GDB ChEMBL
208450,CC1CC2C([NH3+])CN2CCOC1C,0,GDB ChEMBL
6137,C[NH2+]CC1c2ncc(O)cc2NC1C(=O)OC,0,GDB ChEMBL
89137,CCC[NH2+]C1C(O)CC2(CO2)C1N(C)C,0,GDB ChEMBL
343240,NC(=[NH2+])c1c(C(N)=O)c[nH]c(=O)c1[O-],0,GDB ChEMBL
132540,O=C1OC2CC1C1[NH2+]CC21CO,0,GDB ChEMBL
34300,CC(=O)CC1[NH2+]CCN2CC12,0,GDB ChEMBL
317934,CCCC12CC[NH+]3CC1C2C3,0,GDB ChEMBL
396131,CCC1C=C(C(C[NH3+])CO)CCC1,0,GDB ChEMBL
362200,C[NH2+]CC1(O)C([NH3+])CC(O)C1C,0,GDB ChEMBL
80465,CC12C[NH2+]CCCOC1C(C[NH3+])C2,0,GDB ChEMBL
374889,C#CCC1(CCC)C=C(C)CCCC(=O)C1,0,GDB ChEMBL
141914,C#CC(O)C(=O)C(C)(C)OC,1,GDB ChEMBL
287351,CCCC1CC(C)(C)C(C)C1CC1CC1,0,GDB ChEMBL
223488,CNc1nc(OCC(O)CC[NH3+])c(F)c(=N)[nH]1,0,GDB ChEMBL
83078,CCC([NH2+]C)C(CC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
116593,Cc1cn(CC(C)C)c2c1CC1CC21,1,GDB ChEMBL
113608,CC1(C)CC(C[NH+]2CCC2)C1,0,GDB ChEMBL
9918,N#CC(N)c1[nH]nc(OCC(=O)[O-])c1[O-],0,GDB ChEMBL
12863,CC1=CC2CC(C2)CC([NH+](C)C)CCC1,0,GDB ChEMBL
242668,C#CC(O)C([NH+]=C(N)N)C(=O)[O-],1,GDB ChEMBL
262275,CCS(=O)(=O)[N-]C(=O)C(N)C1(O)CC[NH2+]C1,0,GDB ChEMBL
83549,NC(=O)c1nc(N)n2nncnc12,0,GDB ChEMBL
136506,CC(C)OC(CC[NH3+])C(C(N)=[NH2+])C(N)=O,0,GDB ChEMBL
86706,CCC#CC1CCC(C)=CCCC1C,0,GDB ChEMBL
173966,CNC(=O)CC(C#N)C[NH2+]C,1,GDB ChEMBL
354592,C#CC1(CC(C)C)C(C)=CC[NH+]1CCC,0,GDB ChEMBL
388257,C#CC1C([NH3+])CCC1(C)[NH2+]C,0,GDB ChEMBL
357607,Cc1ccc(Cl)c2c1C(C)C1CCC1=CC2,0,GDB ChEMBL
76490,C#CCC1(C)CC2=C(C1)c1ccccc1C2,0,GDB ChEMBL
107862,COC(=N)C(=N)NC(=O)NC(C[NH3+])C(N)=O,1,GDB ChEMBL
378130,CNC(=[NH2+])OC1CCN(C)C(C)(C(=O)CO)C1,0,GDB ChEMBL
155780,Cc1cc(C=O)cc2sncc2c(N)ncn1,0,GDB ChEMBL
200748,CC1CC=CC[NH+](C)C1CCC[NH3+],0,GDB ChEMBL
28318,COC1(C(C)(O)C(C)(O)CC(N)=O)CC1,1,GDB ChEMBL
325915,COC1C=CC2CN(C)CC3[NH2+]C(C)C1C23,0,GDB ChEMBL
156511,O=C1C=C(CCCCCO)CC1,1,GDB ChEMBL
280807,CCC1C(C)C2CCCC23C=CC(=O)OC13,0,GDB ChEMBL
1090,CCC1(C=CCC2CC2)CCCC1,1,GDB ChEMBL
187182,CC[NH2+]C1CC1C(CN(C)CC[NH3+])NC=O,0,GDB ChEMBL
277759,C[NH2+]C(C(C)OC)C(C1CC1C)N(C)C,0,GDB ChEMBL
151214,C#Cc1cc(F)c(C=O)c2nn(C)cc12,1,GDB ChEMBL
109554,Cc1cc(NCC#N)cnc1C,1,GDB ChEMBL
317163,CC(=O)C1COCC(OC(C)(C)C)C1[NH+](C)C,0,GDB ChEMBL
157692,CCCCC1CC(C)CC(C)CC2(C)OC12,0,GDB ChEMBL
81782,COCC1CC(CC[NH3+])C2(O)CCC12,0,GDB ChEMBL
322926,CC(=O)OCC(C)C1(C(C)=O)CC1O,0,GDB ChEMBL
397049,CCC(C)C[NH+](C)CC1C(C)=CNS1(=O)=O,0,GDB ChEMBL
375719,CNS(=O)(=O)CC([NH3+])(CO)CO,0,GDB ChEMBL
367782,CCC(C#N)([NH+]=C(N)N)C1OC1C(N)=O,0,GDB ChEMBL
239158,CN1C=CCC(CC[NH+](C)C)=CC1=O,0,GDB ChEMBL
360837,CC12NC(C(=O)[O-])COC1(CO)CC2O,0,GDB ChEMBL
85797,CCC1CC(C)(C)CC2CC1CC2C,0,GDB ChEMBL
148763,CC1CC2OC(=O)NC1C(C[NH3+])C2(C)O,0,GDB ChEMBL
102314,CNc1ccc(N)c(CC(N)C#N)c1C,1,GDB ChEMBL
6151,Cc1nc(=[NH2+])[nH]c(=NC2(C)CC2)cc1C[NH3+],0,GDB ChEMBL
87646,C=C(C)C1(OC)CC=CCCCC1,1,GDB ChEMBL
127655,CC1C2OCC13C[NH2+]C(C(N)=O)C23,0,GDB ChEMBL
335493,CCC(=O)N1C(=N)OCC1C(O)C=O,1,GDB ChEMBL
324031,CC(N=CNC(N)=O)C(O)(CO)C(=O)[O-],0,GDB ChEMBL
360979,CC1CCCCCC2CCC1CC2,1,GDB ChEMBL
319774,O=C([O-])COC1C(O)CC(O)C12CO2,0,GDB ChEMBL
273842,C#CC1(CC(O)(CC)CC)CCCO1,1,GDB ChEMBL
3810,CC1C2CC[NH2+]CC(COC1C[NH3+])C2,0,GDB ChEMBL
289232,CNC(C#N)C(N=C(N)OC)C(=O)C(N)=O,0,GDB ChEMBL
105954,CCCCC1=CC2CCc3cccc(c32)C1,1,GDB ChEMBL
260566,CCC[NH+](C)CC12CC(C#N)(C1)C(C=O)N2,0,GDB ChEMBL
182293,CC1C=CNC(=O)CC(C)(C(=O)[O-])C1[NH3+],0,GDB ChEMBL
250665,CC1(C(N)=O)[NH2+]C2CC1C(C=O)C2O,0,GDB ChEMBL
217022,[NH3+]CCCc1nc2c([nH]1)COC(=O)N2,0,GDB ChEMBL
281958,CCC1(C)CCOCC1=O,1,GDB ChEMBL
334421,C=Cc1c(F)ccc2c1CC=CC2,1,GDB ChEMBL
328933,N#CC1NC1S(=O)(=O)[N-]C(=O)CCO,0,GDB ChEMBL
228872,N#CC(N)C(CNCC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
85044,CCN1C(N)=NC(C=O)CC(=O)C1C#N,0,GDB ChEMBL
133949,CC(C)C1CC2(CO)[NH2+]C1C(O)C2C[NH3+],0,GDB ChEMBL
93767,CC(=O)NC(N)=NCc1ncnc(CO)n1,0,GDB ChEMBL
75032,CC1C2C(O)C(N1C)C2(CO)NS(C)(=O)=O,0,GDB ChEMBL
349936,C#CC1(C)CCC(OC)OC(C)(C)CNC1=O,0,GDB ChEMBL
255338,CCC1C[NH+](CCNC=O)C2CCC12,0,GDB ChEMBL
35723,COCC(C(CC(C)C)=N[O-])C(F)(F)F,0,GDB ChEMBL
378904,CC1CCC[NH+]1C1CC(C2CCO2)C1,0,GDB ChEMBL
383088,C#CCC1C[NH2+]CC(C)=CC1CC,0,GDB ChEMBL
305290,CC1NC(N)=[NH+]c2cnn(C)c21,0,GDB ChEMBL
255435,CCOC1OC(=O)C2CC1(C[NH3+])C2,0,GDB ChEMBL
280484,CN(C)C(=O)C(=N)NC1CCC1,1,GDB ChEMBL
259125,C#Cc1cc(F)cc2c1C1CC1(CC)C2,0,GDB ChEMBL
173159,CCC1CCC(C)=CCC1C(C)(C)CC,0,GDB ChEMBL
87074,CCC(C1CCC1)[NH+]1CC2=C(CC(C)C2)C1,0,GDB ChEMBL
155058,CC1=Cc2c(F)cccc2C(C(F)(F)F)C1,1,GDB ChEMBL
177071,CCCC1CCC2(C(O)C(N)=O)C[NH+]1C2,0,GDB ChEMBL
222849,COC1CC(C)C2C3C[NH2+]CC(C1)C32,0,GDB ChEMBL
854,Cc1cn(C)c2nc3c(ccn3C)c-2c1C#N,0,GDB ChEMBL
1113,CC1CC(O)(C(CCO)C2CCC(O)C2)CO1,0,GDB ChEMBL
162487,N=C1NC(=O)OC2CC(O)C(O2)C(=O)N1,1,GDB ChEMBL
289259,CC1OCCC2C3CCCC(C)(C3)[NH+](C)C12,0,GDB ChEMBL
264917,[NH3+]CC(O)C1(C(=O)[O-])CC2NC2C1,0,GDB ChEMBL
203656,CS(=O)(=O)N1C(=N)CC(O)C1C#N,1,GDB ChEMBL
281182,CC1CN1CC(=O)OCC[NH3+],1,GDB ChEMBL
29652,Cc1cc(C23CCOC(CC2)C3)n(C)c1,0,GDB ChEMBL
74342,C#CC1[NH2+]C(CO)CC1C,1,GDB ChEMBL
305815,CCC1C2OC2C2CC3(C)CCC(C[NH+]12)C3,0,GDB ChEMBL
271315,CC1(CCO)CC=CCCC1,1,GDB ChEMBL
236548,CC1CC1(C)c1ccccn1,1,GDB ChEMBL
362557,C#CCCc1c(I)cc(CCC)c(C)c1C#C,1,GDB ChEMBL
10983,CC(C)(C[NH3+])C(CO)OCC1CN1,1,GDB ChEMBL
20119,[NH3+]C1C(O)CCN2C(=O)C3NC3C12,0,GDB ChEMBL
48718,C=CCc1cc(F)c(C)c(N)c1O,1,GDB ChEMBL
239335,CCC1CC2C(=O)OCC(C(C)[NH3+])(C2C)N1C,0,GDB ChEMBL
87110,CC1CC(CCC(C)(C)C)CC(=O)CC(=O)N1,0,GDB ChEMBL
38576,COC(=O)C(N)C(CO)n1cc(N)cn1,0,GDB ChEMBL
257506,CCCC1(CC)CC2=CCCCC2C1,0,GDB ChEMBL
348454,COC1C(=O)NCCC2NC(=N)OC2OC1=O,0,GDB ChEMBL
122935,CC12CCC(O1)C1CC2C(CCO)[NH2+]1,0,GDB ChEMBL
255133,C#CC1OC1CC([NH3+])CC(C)(CCC)[NH2+]C,0,GDB ChEMBL
29230,C1=CC2C3C(CCC1)CCCC[NH+]23,0,GDB ChEMBL
61273,CCC12CC3CCCC3[NH+]1CC1CC12,0,GDB ChEMBL
142921,Cc1cc2c(c3c(Cl)cccc13)CCCCC2,1,GDB ChEMBL
200750,CCC#CC(CCCC)CCCC,1,GDB ChEMBL
286994,CCCC1([NH3+])C(O)C1C(C)C,0,GDB ChEMBL
33880,CC1C[NH+]2CCCOC(=O)C12,0,GDB ChEMBL
387229,NC(=O)C1[NH2+]C2CC3CNC2C1O3,0,GDB ChEMBL
280755,CC(=O)C1C2CC(C(C)[NH2+]2)C1O,0,GDB ChEMBL
177289,CNC1=[NH+]C(CN)C2(CO)C(=O)NCCN12,0,GDB ChEMBL
219496,C#CC1CC(C)C1c1cccc(Cl)c1CC,0,GDB ChEMBL
157104,C#CCC(C)(CC#CC[NH2+]C)COCC,0,GDB ChEMBL
376970,CCCN(C(=N)N)C(=O)C#CC1CN1,1,GDB ChEMBL
119661,CCC1C2CCC2C(C)[NH+]1CC,0,GDB ChEMBL
271860,O=C1NC2CNC1C1OC1C2C(=O)[O-],0,GDB ChEMBL
374024,CN(C)C(=O)c1ncnc2ncnn12,1,GDB ChEMBL
73835,N=C1OC(=O)C(CC(=O)[O-])OC1=NCC(N)=O,0,GDB ChEMBL
118435,C[NH2+]CCC1C(C(C)C)CCOC2C[NH2+]CC21,0,GDB ChEMBL
24293,C#CCC(CCC1CC1)C(C)(C)CCC,0,GDB ChEMBL
252751,CCCC(C(C)CC)C1CC2CC(C)C1(C)C2,0,GDB ChEMBL
325212,CC1CC(CO)CCC2CC1[NH2+]2,0,GDB ChEMBL
262525,c1cc2c(s1)COCC2,1,GDB ChEMBL
358418,CN=C1NC(C(C[NH3+])OC)C(NC=O)C(C)O1,0,GDB ChEMBL
169104,CCC1C2C[NH2+]C1C(C#N)C2,0,GDB ChEMBL
263400,CCCCC#CC1OC1CC[NH3+],0,GDB ChEMBL
300115,NCC([NH3+])C(CO)CS(=O)(=O)[O-],0,GDB ChEMBL
70846,NS(=O)(=O)C1C[NH2+]C(C(=O)[O-])CC1O,0,GDB ChEMBL
391654,Cc1c(CO)ccc2c1COC2CO,1,GDB ChEMBL
11024,CC(O)C(C)NC(=[NH2+])CN,0,GDB ChEMBL
232096,CC1(C)CC(C2(C[NH3+])CCC2)C(=O)N1C=O,0,GDB ChEMBL
234277,CC(=O)CC1(CO)[NH2+]CC1(O)CC(C)C,0,GDB ChEMBL
76090,NC1C2CC3CNC(=O)C1[NH+](C3)C2,0,GDB ChEMBL
252626,C#CC1(O)CC1C1NCCN(C)C1=O,0,GDB ChEMBL
222810,CC1OC(C[NH+]2CC3CC2CC3[NH3+])CC1(C)C,0,GDB ChEMBL
189752,CNc1c(N)[nH+]c(N)n1CC[NH3+],0,GDB ChEMBL
161800,NC(=O)OCC([NH2+]CCOC=O)C(O)CCO,0,GDB ChEMBL
384260,CC1C[NH+](C)C2COCC1C2C(C)(C)C,0,GDB ChEMBL
198682,COCCC(C)C(C)CO,1,GDB ChEMBL
393511,C#CC(C)NC(=NCCC(C)C)C(O)CC,1,GDB ChEMBL
138371,CCCC(=O)C(C)(CCC)CC1CCCC1C,0,GDB ChEMBL
77752,C[NH2+]CC1CC(C)C2CC1O2,0,GDB ChEMBL
317749,C#CCC(C)(C)c1cccc(Br)c1,1,GDB ChEMBL
316163,CC1CC(C)(C(C)C)C(C)N1C=O,1,GDB ChEMBL
208583,CC(C)C(C)N(C)c1ncccc1Cl,1,GDB ChEMBL
355012,Cn1c(C#N)cc(O)ccnc(O)c1N,0,GDB ChEMBL
43942,CC1=CC(C)C2C(CO)CCC(C)(C)C2C1,0,GDB ChEMBL
148842,Nc1ncc(O)c(C(O)(CO)CO)n1,0,GDB ChEMBL
316160,COC1CC([NH3+])C2CN(C)C(C[NH3+])C(C1)O2,0,GDB ChEMBL
274851,CCC1c2ccccc2CCCC1(C)C,1,GDB ChEMBL
200539,CCN(C)C1(COCC2CCC[NH2+]2)CC[NH2+]C1,0,GDB ChEMBL
18852,CC1OC(=O)N2CC(O)C3C1C32,0,GDB ChEMBL
321980,CC(CO)C1C(=O)CC(C(=O)[O-])=C1N,0,GDB ChEMBL
22531,CC(=CC[NH3+])C1(CC(N)=O)CC1O,0,GDB ChEMBL
266254,C1=C(C2CCOC2)CCC1,1,GDB ChEMBL
284863,CC1[NH2+]C(C(=O)[O-])C(O)C(NC=O)C1O,0,GDB ChEMBL
92853,CCCC1CCC2=CCC(C)C(CC)C21C,0,GDB ChEMBL
147949,CCC=C1CN(C(N)=O)CC(=O)N1,0,GDB ChEMBL
249403,O=C(CCO)c1nc2c(s1)C[NH2+]CC2,0,GDB ChEMBL
366543,CC1(C(C[NH3+])CO)CC(c2ccccc2)C1,0,GDB ChEMBL
76426,CCOC1CN(C=O)c2c(OC)ccc(Cl)c21,1,GDB ChEMBL
234368,CC1CCC(=O)C2CC[NH+]12,0,GDB ChEMBL
172316,CC(O)CC1C(C)CC2[NH2+]C1CC2=O,0,GDB ChEMBL
131636,CN(C)C(=O)Nc1csc(C#N)c1CO,1,GDB ChEMBL
376957,CCCCn1nc(C(=N)NCC(N)=O)oc1=O,1,GDB ChEMBL
107627,CC(=O)OC(C)(C)C(C)=CC(=O)[O-],1,GDB ChEMBL
187186,CC(C)=CC1(CO)CC2CN2C1=O,0,GDB ChEMBL
126996,C#CCC(C)(C(C)CC1CC1)C(C)[NH2+]C,0,GDB ChEMBL
206836,C#CCOCCC(C=O)C(=O)N1CCCC1,1,GDB ChEMBL
194240,CCC1([NH3+])CC1(O)c1ccncc1,0,GDB ChEMBL
350891,CC1C=C2CCCC(C)(C(C)C)C2C1O,0,GDB ChEMBL
277885,C#CCCOC(CO)C1CN1C,0,GDB ChEMBL
156547,COCC1C2CC1([NH3+])CN(C)C2C(C)C,0,GDB ChEMBL
141752,CCCCCC1CC(CC)CC1(C)CC,1,GDB ChEMBL
671,Cc1ccc(N(C)C)c(=O)o1,1,GDB ChEMBL
348476,CC1C=CC(C)(C)CC(C(C)C)C1,0,GDB ChEMBL
374001,CC(C)N1CC(O)(C(=O)[O-])CCOC1=O,0,GDB ChEMBL
336056,CC1CNC(=O)CCC([NH3+])C1,1,GDB ChEMBL
136143,CCC1CCC(OCc2cc(C)ccc2Br)O1,1,GDB ChEMBL
289958,CC([NH3+])CC12OCC3NC(=O)C1C32,0,GDB ChEMBL
25156,C#CCC(O)(C[NH2+]C)C(F)(F)F,0,GDB ChEMBL
204641,N=C1OCC(CCCO)(CC(O)C(N)=O)CO1,0,GDB ChEMBL
41287,COC1CCC2=C(CC1)C1CC2C1,0,GDB ChEMBL
259329,CNC(=O)NCCC1COCC(=[NH2+])N1,0,GDB ChEMBL
328826,C[NH2+]CC1(O)CC(=N)NC(=O)C=CC1=O,0,GDB ChEMBL
47778,CCC1(C(C)(O)CC2CC2)CC=CC1,1,GDB ChEMBL
80272,CCCC(C)C(=O)OCC#N,1,GDB ChEMBL
62842,C[NH2+]C1(CN)CNC(=O)C(C(=O)[O-])CC1(C)O,0,GDB ChEMBL
167351,CC12COC(C=C3CCCCC31)C2,0,GDB ChEMBL
276036,C[NH2+]C(Cn1nnc(CO)n1)C(N)=O,0,GDB ChEMBL
300945,CCCC1C[NH2+]CC(C)CC1C(O)CC=O,0,GDB ChEMBL
332410,COC1CCC([NH3+])CC1C1C([NH3+])C(C)C[NH+]1C,0,GDB ChEMBL
115270,CCCOC1OCC2C1CN2CC(O)CO,1,GDB ChEMBL
197238,NC(=[NH2+])NC(=[NH2+])NCCNC(N)=O,0,GDB ChEMBL
235901,CC1CC1Nc1nccnn1,1,GDB ChEMBL
369306,C1CC2CC(C1)C([NH+]1CCC1)C2,0,GDB ChEMBL
23645,CC(C)NC(=[NH2+])NC=O,0,GDB ChEMBL
368538,C#CC1C(C(N)=O)N1C(=[NH2+])NC,0,GDB ChEMBL
371718,CC(NC(N)=[NH2+])C1CS(=O)(=O)N2C(CO)C12,0,GDB ChEMBL
116362,CC1(CO)C(C#N)C(N)C2OC21,0,GDB ChEMBL
289264,CC[NH2+]C12CC(=O)NCC(O)(CCC1C)C2,0,GDB ChEMBL
236669,CCCCC1C=CCCC(C)(C)CC=C1,1,GDB ChEMBL
31368,CC1(CO)C2CCN(C3CC32)C1C#N,0,GDB ChEMBL
201399,COC(C)(C[NH3+])C1N(C=O)CCCC1(C)C#N,0,GDB ChEMBL
339941,NC(=O)C1C2N1CC(O)C(O)CS2(=O)=O,0,GDB ChEMBL
397076,CCCc1nc2c(s1)CC(C)CNC2=O,0,GDB ChEMBL
273839,CCN1C(=O)NCC12C([NH3+])C2(C)O,0,GDB ChEMBL
130869,C=CCC([NH3+])C(C)CCCCOC,0,GDB ChEMBL
394231,C#CC1CC2(C)C(C)CC1C[NH+](C)C2C,0,GDB ChEMBL
26832,CCCC1CC(C)C(C)(CCC)C1(C)CCC,0,GDB ChEMBL
312541,CCCCC(C)C1(O)CC(CO)C1(C)C,0,GDB ChEMBL
184079,C[NH2+]C(CC1CC(CC[NH3+])[NH2+]1)C(C)O,0,GDB ChEMBL
225075,C#CCC1(CN(C)CC(C)[NH3+])CC1OC,0,GDB ChEMBL
7833,CC12CC(C(=O)[O-])C([NH3+])CN1C2CC[NH3+],0,GDB ChEMBL
372154,N#CC1(C(=O)[O-])CC12NCCNC2=O,0,GDB ChEMBL
144506,CC1C2CCC1C1CCCCCC21,0,GDB ChEMBL
170075,NC(=O)C([NH3+])CC1OCC2NC21,0,GDB ChEMBL
98569,CC(O)CC(O)C(C)(C)C=O,1,GDB ChEMBL
389440,Cc1ccc(C(C)NC(N)=O)n1C1COC1,1,GDB ChEMBL
112892,C#Cc1cc(Cl)ncc1CCCCC(C)C#C,1,GDB ChEMBL
94735,CCC1C2=CCN3C(=O)C(O)C1C23,0,GDB ChEMBL
197023,CCC1(C#N)C(CNC(N)=O)N1C,0,GDB ChEMBL
98875,N#CC1C(=O)OC2CC1CC2[NH3+],0,GDB ChEMBL
280002,CC1OC(=[NH2+])NCC1CO,0,GDB ChEMBL
280701,CN=c1[nH]nc(C)nc1NC(N)=O,0,GDB ChEMBL
251800,CC1CC(C)(O)C[NH+](C)CCc2ccnc1c2,0,GDB ChEMBL
271829,CC1CCCCC2(COCCOC2)C([NH3+])C1C,0,GDB ChEMBL
136690,CN1C(=O)CC(=NO)CC1(C)CO,0,GDB ChEMBL
383919,C#CC1CCC2(C=C(C)CC2)C[NH+]1C,0,GDB ChEMBL
84929,CC1CCC[NH+](C)C(C)C1C1(O)CC1[NH3+],0,GDB ChEMBL
376023,NC(=O)N1CC([NH+]=C(N)N)C1,0,GDB ChEMBL
115052,CC1CC(C)C2CC=CCCC2(C)C1[NH3+],0,GDB ChEMBL
77479,CCC#CCC1C2CCCCCC12,1,GDB ChEMBL
267316,CCC(C)C(O)C1(O)CC1,1,GDB ChEMBL
119894,CCC1(O)C(C)(NC(=O)OC)C1(C)[NH+](C)C,0,GDB ChEMBL
338946,C[NH2+]CCC1(C=O)C[NH2+]C1C(O)CC(C)O,0,GDB ChEMBL
305988,CN1C(=O)CC(=O)C(O)C1C(C)(O)CO,0,GDB ChEMBL
238581,CC1CN(C(C(N)=O)C([NH3+])CO)C1C,0,GDB ChEMBL
147537,CC12CC(CC[NH2+]1)CC2C#N,0,GDB ChEMBL
147240,CC(C[NH3+])N1CC(O)CC1C(O)C(N)=O,0,GDB ChEMBL
40451,CCCC(C(C)O)C1([NH2+]C)CC(=O)C1,0,GDB ChEMBL
266250,CCCCN=CNC(C)=O,1,GDB ChEMBL
225877,[NH2+]=C1CC2OCC2C(C(=O)[O-])N1,0,GDB ChEMBL
150138,CC(CCO)C([NH3+])CC1CC1c1nc[nH]n1,0,GDB ChEMBL
296073,c1[nH+]c2n(c1N1CCC1)CCC2,1,GDB ChEMBL
87703,[NH2+]=C1NCCC(=O)NC1CS(=O)(=O)[O-],0,GDB ChEMBL
21679,CCC(O)c1cc(C[NH3+])n(CC(C)(C)C)c1,0,GDB ChEMBL
308676,CC1CC(C2CS(=O)(=O)C2)C[NH2+]1,0,GDB ChEMBL
152075,N=C(NC(=O)Cc1nnc(N)s1)C1CO1,1,GDB ChEMBL
20074,CC1([NH3+])C(=O)NCC2CC(CO2)C1O,0,GDB ChEMBL
334082,C[NH+](C)C1CCC[NH+]=C1N,0,GDB ChEMBL
347941,CC1C2CC[NH2+]C(C2O)C1(O)CO,0,GDB ChEMBL
368450,CCC1C=CCC(O)C2CCC1C2(C)C,0,GDB ChEMBL
226222,CCC1CC2CC(O)(C1)CC1OC21,1,GDB ChEMBL
106666,COCc1noc2c1C(=O)N1CC21,0,GDB ChEMBL
275488,COC(=O)C1C([NH3+])C2CC1C1OC1C(C)O2,0,GDB ChEMBL
245856,NS(=O)(=O)CC1C2CC(O2)C1C(=O)[O-],0,GDB ChEMBL
261410,CC(O)C([NH3+])C1C2CC=CCCC21,0,GDB ChEMBL
274638,C#CCCOCC1CCCC[NH+]2CC1(C)C2,0,GDB ChEMBL
383272,CC(C)[NH2+]C1(C2=CCCCCC2)CC1,0,GDB ChEMBL
175589,CCC(C)CC([NH3+])Cn1ccc(CC(C)C)c1,0,GDB ChEMBL
311366,CN(C)C(=O)OC1OCCC(=N)NC(=O)C1O,1,GDB ChEMBL
83045,CC[NH2+]C1CC2CCCC(C)(C)C(COC2)C1,0,GDB ChEMBL
132433,N#CCOc1cc([O-])nc(=O)cc1O,0,GDB ChEMBL
127764,Cc1c(Cl)cc(N)c(Cl)c1NC1CCC1,1,GDB ChEMBL
308718,CC(C)C1C(O)C([NH3+])C(C)CC1(C)C,0,GDB ChEMBL
345835,CCN1CC(O)C(O)C2C(OC)C(C)[NH2+]CC21,0,GDB ChEMBL
379117,C#CC(C#N)(CO)CC(C(N)=O)C(C)O,0,GDB ChEMBL
152537,CCC[NH+]1CC=CC2C(CC)CC1C21CC1,0,GDB ChEMBL
389640,NC(=[NH2+])OC1CCN2C(CCS2(=O)=O)C1O,0,GDB ChEMBL
351382,Cc1cc(C([NH3+])C(C)O)on1,0,GDB ChEMBL
225325,CC(C[NH3+])Cc1cnc(Br)cc1C1CC1,0,GDB ChEMBL
18677,CC1(CC[NH3+])CC2C=CCCCC[NH2+]CC21,0,GDB ChEMBL
263532,CNc1nc(C(C)C)ccc(O)c1=O,1,GDB ChEMBL
263455,C#CC1CC=CC=CC[NH+](CCCC)CC1,0,GDB ChEMBL
276178,COC1C(O)C12CNC(=N)N2S(C)(=O)=O,0,GDB ChEMBL
17459,CNc1c(Br)c(C)cc(C)c1C(C)CC#N,1,GDB ChEMBL
34928,C#CC1C2CC(C)C1(OC)C[NH2+]2,0,GDB ChEMBL
398776,N#CC1C(=O)CC(CCO)C2CC2NC1=O,0,GDB ChEMBL
246369,CCCC1C(C)=CCCC1(CC)CC,1,GDB ChEMBL
127471,CCC(C)Cc1nc(C(C)(C)C#N)co1,1,GDB ChEMBL
337809,NC(=O)C1C2OC(C[NH3+])CC([NH3+])CC21O,0,GDB ChEMBL
380299,CCCc1noc(C(C)=O)c1C,1,GDB ChEMBL
144551,C#CCCCC1CCc2c(C)ccc(CC)c21,0,GDB ChEMBL
41088,C=CC1CCC2CC(C)C1C2CC,0,GDB ChEMBL
97118,Cc1ccccc[nH]c2cccc(Br)c12,0,GDB ChEMBL
281055,C#CCCC[NH2+]CC(C)C1C[NH+]=C(N)N1CC,0,GDB ChEMBL
189982,[NH3+]CC1CC2OC(C(O)C(=O)[O-])OC2C(=O)N1,0,GDB ChEMBL
157706,CC1[NH2+]CCCCC#CCC1C(C)C1CC1,0,GDB ChEMBL
98890,NC(=O)C(O)CC1C(O)CC(O)C1[NH3+],0,GDB ChEMBL
83074,Nc1nc(C=O)c(F)c2c1CCOC2,0,GDB ChEMBL
382598,COC1(C)CC2NC2C(O)C1C(=O)[O-],0,GDB ChEMBL
141765,NC(=O)C1OC(C[NH+]=C(N)N)OC1C[NH3+],0,GDB ChEMBL
3015,CCCC1C(C)COC1C(CC)C(C)C,0,GDB ChEMBL
204492,CC1(O)CC(=O)NC2C3C21CNS3(=O)=O,0,GDB ChEMBL
313332,CC1CC=C2CCC(C)CC2CCC1,0,GDB ChEMBL
211152,C[NH2+]C1C2NS(=O)(=O)C1C2COC,0,GDB ChEMBL
177160,CCc1cc(C(C)C)cc2c1CC(C)C2,1,GDB ChEMBL
48117,[NH3+]C1CN2CC(O)C([NH3+])C(C1O)C2C(=O)[O-],0,GDB ChEMBL
188489,CC(C)=CC(O)C1CCCCCC1,1,GDB ChEMBL
338956,CCC1([NH+](C)C)CC(C)C(CO)C(N)C1C[NH3+],0,GDB ChEMBL
5909,NC(=O)C1(Cn2ncnn2)COC1,1,GDB ChEMBL
33296,CC1CCC(CS(N)(=O)=O)C(C(N)C#N)O1,0,GDB ChEMBL
394252,C#CCC(CO)CC(N)=O,1,GDB ChEMBL
280608,CC(O)CC1OC2COC1C2O,1,GDB ChEMBL
37129,CCCCC(C=O)[NH+](C)C,1,GDB ChEMBL
278885,COC12CC(CC(C)(C[NH3+])NC1=O)C2,0,GDB ChEMBL
177245,CCN1CC[NH+]=C1Cc1c(C)nc(F)nc1C,0,GDB ChEMBL
246790,CC(O)CCC(=O)C(C)(C)OC(=O)CCO,1,GDB ChEMBL
28187,CCC1C2C(C)=CC1[NH+]1CCOCC21,0,GDB ChEMBL
298181,NC(=O)c1ccc(NCC(=O)[O-])o1,1,GDB ChEMBL
317942,C[NH+]=C(C(C)N)N(CC[NH3+])CC1OCCC1C,0,GDB ChEMBL
40381,CCN1C(=O)NC(C#N)C1C1CO1,0,GDB ChEMBL
201658,[NH2+]=C1NCC(C[NH3+])CC1C(O)CO,0,GDB ChEMBL
344352,C#Cc1c2c([nH+]cc(CC)c1=N)CCCN2,0,GDB ChEMBL
185912,Nc1nc2[nH]nc(NC(=O)CO)c2s1,1,GDB ChEMBL
20757,COC1C([NH3+])CCC(O)C2OC12,0,GDB ChEMBL
319840,CC#CC(CCO)C1C[NH2+]C1,0,GDB ChEMBL
132655,C[NH+]1CC2C(C1)C2C1CCCC1,0,GDB ChEMBL
44698,COC(C)C12COCCC(C)C1C2O,0,GDB ChEMBL
163846,C#CC[NH2+]CC(C)OC1C([NH3+])COCC1[NH3+],0,GDB ChEMBL
198835,CCC(C)C1(C)CC(C)=CC1C1CC1,0,GDB ChEMBL
93715,Cc1[nH]ncc1N1CCC1=O,1,GDB ChEMBL
193337,[NH3+]C1COC2C(C1)CC([NH3+])C2O,0,GDB ChEMBL
258019,CC1CCC2C(CCO1)[NH+]2C,0,GDB ChEMBL
85859,C#CC(=O)Nc1cnc(NC(N)=O)nc1N,1,GDB ChEMBL
316132,CCC(O)C1(C)CC(C)(C)[NH+](C)CCNC1=[NH2+],0,GDB ChEMBL
210759,C#CC(C)NC(=[NH2+])NCC1OCC[NH2+]C1CC,0,GDB ChEMBL
338576,C[NH+]=C(N)C(O)CC(=O)OCC(C)(C#N)CO,0,GDB ChEMBL
206958,CC1OC(=O)C(C[NH3+])C1C(=O)n1ncnc1N,0,GDB ChEMBL
112057,CCOCC(C)[NH2+]C1(CC)CC1,0,GDB ChEMBL
245815,O=C1CCC=CC1CC1CC1,1,GDB ChEMBL
235003,CC(=O)Oc1c(N)ncnc1O,1,GDB ChEMBL
301416,CC1C[NH2+]C2CCOC(C1)C(C#N)C1CC21,0,GDB ChEMBL
243331,COC1C2CCC1OC(N)=N2,0,GDB ChEMBL
318051,C#CCCc1cc(NC)no1,1,GDB ChEMBL
340515,CCc1cc(Br)cc(Br)c1C1(C)CC1CC,1,GDB ChEMBL
301392,CCCC1CCCC(C)C(C(C)(C)CC)CC1,0,GDB ChEMBL
127928,CCCC(=O)N1CC(=N)OCC1=O,1,GDB ChEMBL
330769,CC[NH2+]CC(N)(CO)C(N)C#N,0,GDB ChEMBL
287327,CC1CC[NH+]1CCC(C)(C)O,0,GDB ChEMBL
233473,CCC1[NH2+]C(C(=O)[O-])C(O)C(=N)OC1CC[NH3+],0,GDB ChEMBL
214877,CCC(C#N)[NH+]=CN(C)C,0,GDB ChEMBL
71967,COCC1(O)C(C(N)=O)NCC(C#N)C1N,0,GDB ChEMBL
238132,Cc1cocc1N(C)CCC(C)([NH3+])CCCO,0,GDB ChEMBL
333106,C#CCC1CCC(CCC(C)C)CCC1C#N,0,GDB ChEMBL
198832,N#Cc1c(S(N)(=O)=O)ncn2nccc12,0,GDB ChEMBL
46912,CC1OC2(CNC(=O)C1O)OC(=O)[N-]C2C#N,0,GDB ChEMBL
249606,NC(=O)C12OC1(C(=O)[O-])C(O)CC2C[NH3+],0,GDB ChEMBL
333904,CCC1CCCC(C2CC2)C1,1,GDB ChEMBL
148879,CC12CCC(C)(CC1)C1C3CC[NH2+]C3CCC12,0,GDB ChEMBL
230707,C[NH2+]C1CN=C(C)OC1,0,GDB ChEMBL
176524,N#CC1NC(=[NH2+])NC1CC(C=O)CO,0,GDB ChEMBL
70776,N=C(CO)N1C(=O)CCNC1=O,1,GDB ChEMBL
386457,CCc1cc[nH]c1CCC(O)CO,1,GDB ChEMBL
175710,CCC(C[NH3+])C1[NH2+]CC2OC21,0,GDB ChEMBL
112862,CC(O)(CCc1ccccn1)C1CC1,1,GDB ChEMBL
24753,C=CCCCC=CC(C)CC1CO1,1,GDB ChEMBL
119865,CC(=O)C1Cc2c(C#N)ccnc2N1C(C)=O,0,GDB ChEMBL
317978,CC(O)CCc1cnc(C2CC([NH3+])C2)o1,0,GDB ChEMBL
333082,CC1OC2C=CC1c1cccc(Br)c1C2,0,GDB ChEMBL
132565,CCCC[NH2+]CC12OC(CC1O)C2N,0,GDB ChEMBL
313709,CCCc1[nH+][nH]c2ccc(O)c-2c1C(=O)NC,0,GDB ChEMBL
368172,CNC(=[NH2+])C1(CO)NCCC1CC(C)C(C)=O,0,GDB ChEMBL
132441,CCC(C)C1C(OC)C12CC(C)C(C)C2,0,GDB ChEMBL
385948,O=Cc1c(NCC2=NCC(=O)O2)ccnc1Cl,1,GDB ChEMBL
305575,CC1NS(=O)(=O)c2c(Cl)cnc(C(N)=O)c21,0,GDB ChEMBL
25199,CCCCNc1c(Cl)[nH]nc(C)c1=O,1,GDB ChEMBL
141722,CC1CC2CCC(CC2)C2CCC12,0,GDB ChEMBL
348711,CC(C)OC1CCNC(=O)CN(C)C(=O)C1,1,GDB ChEMBL
303344,CC1C2OCOC2CCN1CC[NH3+],0,GDB ChEMBL
210163,CNC(=O)C1CCCCCC(O)C1O,1,GDB ChEMBL
209662,CC[NH2+]CC1=NC2(CC2)C([NH3+])C(=O)N1,0,GDB ChEMBL
311647,CCC12CCC[NH2+]C(C=O)C(C)C1C2C#N,0,GDB ChEMBL
197065,CC([NH3+])C#CC1CCCOC1C(N)=O,0,GDB ChEMBL
676,N#CC12C=CC(C1)C([NH3+])C(O)CC2,0,GDB ChEMBL
355425,CCCCC1C(C)[NH+]2CCC2C1([NH3+])C(C)C,0,GDB ChEMBL
97721,NC(=O)CC#CC(=O)CCC[NH+]=C(N)N,1,GDB ChEMBL
305999,NC(=O)CC=CC(=CC[NH3+])C1CC1,0,GDB ChEMBL
109774,[NH3+]C(CN=C1OCC1O)C(=O)[O-],0,GDB ChEMBL
95629,CC(Nc1[nH+]c(CO)c(N)n1C)C(N)=O,0,GDB ChEMBL
299146,CC1C=CC(C)(C)C1C(=O)CC1=[NH+]CCN1,0,GDB ChEMBL
111536,C#CC(C)c1c(C)cc(C)cc1CCC,1,GDB ChEMBL
278848,CCC1(C)CN2CC2C1C([NH3+])CC(N)=O,0,GDB ChEMBL
244611,CCC(CC[NH3+])n1nncc1[O-],0,GDB ChEMBL
20506,[NH3+]CCS(=O)(=O)N1C(CO)C1C(O)CCO,0,GDB ChEMBL
355304,CCCC12CN(C(C)=O)C1=CC([NH3+])(CO)C2,0,GDB ChEMBL
359040,CC1C(C(=O)[O-])C(O)CC(=O)C1(C)NC(N)=[NH2+],0,GDB ChEMBL
98539,CC1[NH2+]CC(O)C2CC=C(C2=O)C(O)C1O,0,GDB ChEMBL
127622,CCCn1c(C[NH+]=C(N)N)csc1=NCC,0,GDB ChEMBL
363549,C#Cc1c(CC)c(C)c(Cl)c2cc(Cl)ccc12,1,GDB ChEMBL
299751,Cn1c(=O)cc(C=O)[c-]1CO,0,GDB ChEMBL
372203,CC(=[NH2+])NCCn1c(C)c(C)cnc1=O,0,GDB ChEMBL
257520,[NH3+]CCS(=O)(=O)NC1C=CC(O)C1O,1,GDB ChEMBL
379197,CCCC1(O)CC2[NH2+]C(C1)C1CC2C1(C)C,0,GDB ChEMBL
363519,CCC1C2[NH2+]C(C)C1C(C[NH3+])CC2C,0,GDB ChEMBL
263425,CCc1cc(Cl)c(C2(C)CCC2C)cn1,0,GDB ChEMBL
26557,O=C1OCC(=O)C2(CCO)CC12,1,GDB ChEMBL
21685,C#CC([NH3+])C(O)C(C[NH3+])C[NH2+]CCC,0,GDB ChEMBL
26382,CCCCC1C(C)C(C)CC12CCCC2CO,0,GDB ChEMBL
29236,C#CC(C)[NH+](Cc1cc(=O)o[cH-]1)CC(C)C,0,GDB ChEMBL
354378,COCC(C[NH3+])(NC(N)=O)C(=[NH2+])NCC#N,0,GDB ChEMBL
342399,Cc1ccc2c(c1)C1CC3CC3C1C2,1,GDB ChEMBL
193216,CC(=O)N(CC(=O)[O-])c1coc([O-])c1C(C)[NH3+],0,GDB ChEMBL
216491,CCC(CCC12CC1C[NH2+]C(C)C2O)[NH2+]C,0,GDB ChEMBL
271104,CC12CCCC3c4cc(F)ccc4C1C32,0,GDB ChEMBL
61542,CCC1(C)CC2C=C(C)CCC1C2C,0,GDB ChEMBL
177134,Cn1cnc2c1NCCCS(=O)(=O)N2,1,GDB ChEMBL
301216,CC1C(CC2C[NH2+]2)C(C)(C)C[NH+]1C,0,GDB ChEMBL
351365,CC([NH3+])C(O)CNC(=O)CS(=O)(=O)[O-],0,GDB ChEMBL
174214,C#CCC(C)C#CCCC(=O)N(C)C,1,GDB ChEMBL
215314,CC(=O)N1CCCCN(C)CC(=NO)C1,1,GDB ChEMBL
99139,CNC(=O)C(N)C1NCC(O)C(CO)C1[NH3+],0,GDB ChEMBL
140804,C[NH+]=C(N)N(CC#N)CC(N)C(=O)[O-],0,GDB ChEMBL
244626,COc1csc(CC(N)=O)c1,1,GDB ChEMBL
217381,CCCCC1C=CC2CC12C#N,0,GDB ChEMBL
70294,CC1CNC(=O)C(O)C(N)C(O)(CO)C(=[NH2+])N1,0,GDB ChEMBL
63087,CC(C)CCC1C(C#N)CCC1C1CCCC1,1,GDB ChEMBL
218340,CC1CC=CC1c1cnccc1Cl,1,GDB ChEMBL
80342,NC(=O)c1c(N)ncc(Br)c1Br,1,GDB ChEMBL
31350,CC1C(CCO)C(=O)CC(C#N)CN1C(N)=O,0,GDB ChEMBL
215871,CC1OCC(N)(CCNC(N)=O)C1NC(N)=[NH2+],0,GDB ChEMBL
271385,CC1OC1(C(=O)[O-])C([NH2+]CCO)C(=O)[O-],0,GDB ChEMBL
208286,C[NH2+]C1C(N)(C(=O)OC)C(O)C1(O)C(=O)[O-],0,GDB ChEMBL
285095,CCCC1([NH2+]CCO)CC(CC#N)CNC1=O,0,GDB ChEMBL
368455,COCC(N)C1C2C[NH+]1C(CO)C2C,0,GDB ChEMBL
110247,CCCC12CCC=C(C)C1CC(C)C2,0,GDB ChEMBL
198675,C[NH+]=C(N)N1C2COCC(CC2O)C1C(C)[NH3+],0,GDB ChEMBL
156759,NS(=O)(=O)OCC1C[NH2+]CC1NC=O,0,GDB ChEMBL
298948,CCc1nc(NC(=N)N)no1,1,GDB ChEMBL
51882,COCC12CC3(C)CNC(=O)C(O3)C1O2,0,GDB ChEMBL
249431,CCC1CCN2C(C(C=O)CO)C12,0,GDB ChEMBL
13897,CC(c1cccc(F)c1F)C1(C#N)CC1,1,GDB ChEMBL
170244,COc1nc(CCNC(N)=O)cc(C[NH3+])c1C,0,GDB ChEMBL
95184,Cn1cnc(O)c1CC#N,1,GDB ChEMBL
283382,CC(C)N1c2ncc(N)cc2CCC1(C)C,1,GDB ChEMBL
3020,CC(C)CC12CCCC(CCCCCC1C)C2,0,GDB ChEMBL
114361,CNC=[NH+]CC(O)C1CCCCC1[NH3+],0,GDB ChEMBL
131882,Cc1cccc(C)c1C(C(C)C)C(C)(C)C[NH3+],0,GDB ChEMBL
210243,CCC(O)C(C#N)(C(N)=O)N(C=O)C(C)=N,1,GDB ChEMBL
236551,C#Cc1c(C)c(CCC)c(CC)c(F)c1CC,1,GDB ChEMBL
71444,CC(=N)N(C(=O)C(C)O)C1C(C)C1[NH3+],0,GDB ChEMBL
378551,COC1C2[NH2+]CC1(N(C)C1CC1)CCC2O,0,GDB ChEMBL
225220,CC1CCC(C(=O)[O-])CC2(C)C(O)C12,0,GDB ChEMBL
15513,O=CC=CC1OCC[NH2+]C1C(=O)[O-],1,GDB ChEMBL
28378,CCCC(=O)NCc1nsc2sccc12,1,GDB ChEMBL
48734,CCCC12CC(C1)c1c2ccc(F)c1C,0,GDB ChEMBL
251821,COC(=O)C1CNC(S(N)(=O)=O)=N1,0,GDB ChEMBL
383803,CC(=O)N1CCC2NC(=O)C3(O)C2C13,0,GDB ChEMBL
45023,O=C1CCC23C[NH2+]C(CC12)C3O,0,GDB ChEMBL
285604,CC(O)C1OCC2C(C)(O)CC(=O)C12C,0,GDB ChEMBL
355309,C#CCCc1cc(C)c(C(C)C)c(C)c1,1,GDB ChEMBL
278240,C=C(CCC[NH2+]C)C(C#N)C#CC,1,GDB ChEMBL
48095,CC(C)(C)C1C=CC([NH3+])C2CCCCC21,0,GDB ChEMBL
395637,[NH3+]Cc1cc2c(c(=O)[nH]1)NCC2,0,GDB ChEMBL
206847,CC1CN(C)C2CC3(CCCC3C)C2[NH+]1C,0,GDB ChEMBL
71275,CC1C=C2CCC(C2)C(=O)OC1(C)C,0,GDB ChEMBL
162939,COC1OCC2C1C[NH+]1C(C)CCC21,0,GDB ChEMBL
340429,CN=C1OCCC(C)=CC(C)N(C)C1=O,0,GDB ChEMBL
95533,CC1(C(N)=[NH2+])CC(CC2CCCC2)C1,0,GDB ChEMBL
103882,CC1CCCC2CC[NH+](C)C2C1=O,0,GDB ChEMBL
217119,[NH3+]CCC1CC(O)C2OC2C1[NH3+],0,GDB ChEMBL
120417,O=CC1(C(O)CC(=O)[O-])CO1,1,GDB ChEMBL
98839,CC=CC1CC2C(C)OCC1[NH+]2C,0,GDB ChEMBL
185955,CCCC1C(=O)CC1COC,1,GDB ChEMBL
4923,C#CCC1C=C(CCC)C2(C)CCCCC12,0,GDB ChEMBL
217702,COC(C1NC(=O)NC1CO)C(C)(O)C(=O)[O-],0,GDB ChEMBL
251004,CC1CNC(=O)CC1C=O,1,GDB ChEMBL
261193,COCCC1OC2CN(CCCO2)C1C=O,0,GDB ChEMBL
353594,CCCC#Cc1ccc(C)s1,1,GDB ChEMBL
277834,CCC1[NH2+]CCC2C3(C)C(=O)CCC123,0,GDB ChEMBL
252311,NC(=O)C1(C(=O)[O-])C(O)CNC(=O)C1O,0,GDB ChEMBL
209828,COC12CCC=CC13C(CC2)CC(C)C3O,0,GDB ChEMBL
204184,COCC1OC1C1CN1C(C)=O,1,GDB ChEMBL
304123,C[NH2+]Cc1cc(OC)c(=O)[nH]n1,0,GDB ChEMBL
99443,C#Cc1c(NC(C)C)csc1C,1,GDB ChEMBL
175898,COCC1(O)C=CC(C(C)=O)=CCC1,0,GDB ChEMBL
80501,C#CC1CCCC(C)CC(CCCC)CCC1,0,GDB ChEMBL
354581,COCC(CNS(C)(=O)=O)C(N)=O,1,GDB ChEMBL
190814,N=c1nc(NCC(N)=O)cc(O)nc1CO,0,GDB ChEMBL
143489,CCC1(C#N)C(N)C1(N)C[NH2+]C,0,GDB ChEMBL
39933,OC1CC1N1CCCCC2C[NH2+]C2C1,0,GDB ChEMBL
44628,CC1[NH2+]C2CCC3(C)CCCC2C13,0,GDB ChEMBL
354609,C=CCc1cc(C#N)n(CC)c1C,1,GDB ChEMBL
347887,COC1C2OC(C(=O)[O-])C(O)C12C[NH3+],0,GDB ChEMBL
203577,CC1C(OC=O)=NC2C(CO)CC(C(=O)[O-])C12,0,GDB ChEMBL
29587,C[NH2+]CC12CC1(CO)C(=O)CC(O)CO2,0,GDB ChEMBL
184226,CNCC(C#N)(NC(N)=[NH+]C)C(=O)[O-],0,GDB ChEMBL
148753,COc1ccc(CC(N)=O)[nH]1,1,GDB ChEMBL
254848,OCCCCN1C=[NH+]CC1,0,GDB ChEMBL
186734,CC(C)C([NH3+])CC1C2CC2(C[NH3+])C[NH+]1C,0,GDB ChEMBL
94658,CNC(=O)C(C)(C)C(C)CO,1,GDB ChEMBL
272522,CCC1CC(C(C)C(=O)OC)C(C)(CO)C1C,0,GDB ChEMBL
148231,CC1C([NH3+])C1NCC(=O)NC1CC1,0,GDB ChEMBL
161756,N#CCN1C(=O)C(N)C2C([NH3+])C21,0,GDB ChEMBL
190538,C#CCCNC(C#N)CC,1,GDB ChEMBL
372486,CCN(C(=[NH2+])C(C)C)C1CCCC2CC1C[NH2+]2,0,GDB ChEMBL
117412,CC(C)(O)COCCC1(C)CNC(=O)C1O,0,GDB ChEMBL
64647,CC1CC2C(O)C(CC23CC3)[NH+]1C,0,GDB ChEMBL
289796,CC(C[NH2+]Cc1ccnc(Br)c1)=NO,0,GDB ChEMBL
271328,C#CC(CC)c1cc(Cl)ccc1CCC,1,GDB ChEMBL
136125,N#CC(N)COC(=O)CC1CCC1O,1,GDB ChEMBL
79500,CCC(CCCCOCC(C)[NH3+])NS(C)(=O)=O,0,GDB ChEMBL
300480,Cc1ccccc1C(C)C1CO1,1,GDB ChEMBL
242641,COCc1cncc(C(=O)C(N)=O)n1,1,GDB ChEMBL
332382,[NH3+]CC1CC2(CO)CC(C2)C(O)C1[NH3+],0,GDB ChEMBL
40244,[NH3+]C1CN(CCOCCO)C1=O,0,GDB ChEMBL
73253,C#CCC(CC)CC1CC(CC)CC1(C)C,0,GDB ChEMBL
365805,OCC(O)c1cnc(O)nc1Cl,1,GDB ChEMBL
208405,NC(=O)OC1C(O)C([NH3+])C(O)(C(=O)[O-])C1O,1,GDB ChEMBL
310296,CCn1nc2c(c1N)NC(=O)C(=O)C(O)CO2,0,GDB ChEMBL
204791,CCC[NH+](C)C1(C2CC2)CC(CC)C1,0,GDB ChEMBL
124201,CCCC1COC2C(C[NH2+]1)C(O)C2C(=O)[O-],0,GDB ChEMBL
277722,C[NH2+]CCCC1(C)NC(C#N)C=CC1C,0,GDB ChEMBL
62536,CC1=CC(=O)OC12CC2CCO,0,GDB ChEMBL
280605,CCCc1ncncc(=O)n1,0,GDB ChEMBL
174258,COC1CC2CC(O)C1[NH2+]C2C(C)(C)O,0,GDB ChEMBL
177907,CCC12CCC3C(COCCC31)C2,0,GDB ChEMBL
134008,COC1CCCC2=CC(C)CC21C,0,GDB ChEMBL
358265,C[NH2+]C(C)CN1CCC(C#N)C([NH3+])C1C,0,GDB ChEMBL
159845,CC(C)NC(=[NH2+])C(C)(C=O)CCCCO,0,GDB ChEMBL
297231,N#CCC(=O)NCCC([NH3+])CS(N)(=O)=O,0,GDB ChEMBL
184639,CC12C[NH2+]C(CNS(=O)(=O)C1)C(O)C2O,0,GDB ChEMBL
44135,CCC(=O)CCC(C(N)=O)(C(C)C)C(C)C,1,GDB ChEMBL
330015,CC1=CCCCCC#Cc2cc(F)cc1c2,1,GDB ChEMBL
203103,C#CCc1cc(C#C)c(CCCCC)cc1Cl,1,GDB ChEMBL
251429,C[NH2+]CC(=O)N1C(C=O)C1S(N)(=O)=O,0,GDB ChEMBL
184508,NC(=O)CCC(=O)CC1CNC(=O)CC[NH2+]1,0,GDB ChEMBL
119419,N#CC1N=C(N)OCC([NH3+])C1O,0,GDB ChEMBL
300161,CCC1C=CC(C(C)(C)C)C1CC,0,GDB ChEMBL
98602,C=C(C[NH3+])C(O)(CC)C(=O)OCC,0,GDB ChEMBL
134800,CCCC(C)C12CC(CCCC1C)CC2C,0,GDB ChEMBL
257549,COc1ncc2ncc(C(N)=O)c(F)c2n1,0,GDB ChEMBL
394323,CC=C(C)C(CCC=O)[NH+](C)CC,0,GDB ChEMBL
95625,CCC(NC(C)=O)C1NC1(CO)C(C)[NH3+],0,GDB ChEMBL
217116,CNC(=O)C#CCOCC([NH3+])CS(=O)(=O)[O-],1,GDB ChEMBL
18911,NCC([NH3+])CC(O)CC1CNC1C(N)=[NH2+],0,GDB ChEMBL
383767,Cc1cc(I)c2c3c(cccc13)CCC2(C)C,1,GDB ChEMBL
140389,C#CC(O)c1cnc(C)nc1OCCOC=O,1,GDB ChEMBL
195403,CC(OC(N)=[NH2+])C(O)C(CO)NC(N)=O,0,GDB ChEMBL
17058,CC(CCCC[NH3+])C(C)(C1CC1)C(F)(F)F,0,GDB ChEMBL
12814,CCCc1ccc(CCC2CC2)[nH]1,1,GDB ChEMBL
337773,CC(=O)C=C(C=O)C(CO)CC#N,1,GDB ChEMBL
203502,CCC(OCCC(C)C)C1[NH2+]C(C)CC1NC,0,GDB ChEMBL
116615,C#CCC(OC)C1CC[NH+]=C(NC)CC(C)C1,0,GDB ChEMBL
21575,CC(=NCC([NH3+])CO)NC(N)=O,0,GDB ChEMBL
191298,[NH3+]CCC(O)C1C[NH2+]C1,0,GDB ChEMBL
155059,CCCCCC1C(C)CCC1(C)CC(C)CC,1,GDB ChEMBL
119972,C#CC(C(=O)[O-])=C(CC)CC(C)C,0,GDB ChEMBL
77842,CCCN1C(=[NH2+])c2cnc(O)n2CC1CC,0,GDB ChEMBL
97720,C#CCC1C(C)CC2(C)C(=O)NC1C2COC,0,GDB ChEMBL
152545,O=C1CCCC=C2CNC3=[NH+]CCCN3C12,0,GDB ChEMBL
23486,CCCC1CCC=C(C)CC(C)(C)CCC1,0,GDB ChEMBL
155118,COCC12C(N)=C(C(=O)[O-])CC1C2O,0,GDB ChEMBL
385628,C=C1CN(C(CO)C(N)=O)CC1O,1,GDB ChEMBL
122831,CN(CC(C=O)CCO)C(=O)CC(=O)CO,1,GDB ChEMBL
250636,C[NH2+]CC(OC(=N)C(N)=[NH2+])C(=O)[O-],1,GDB ChEMBL
258325,C#CC1[NH2+]CCCC(C)C2CC12,0,GDB ChEMBL
77245,C[NH2+]CC(C[NH2+]CCCO)NC(N)=O,0,GDB ChEMBL
338912,C[NH2+]C1CC([NH3+])C(C)CC1(O)CC1CC1,0,GDB ChEMBL
240417,C#CC1C2CCN1C(C)C[NH2+]2,0,GDB ChEMBL
147868,CCc1cc(NC)nn1C(=O)C1CCCC1,1,GDB ChEMBL
227507,NC(=O)C1C(O)CCN1C(=[NH2+])N1CC1,0,GDB ChEMBL
252090,CS(=O)(=O)C1C2=NCC1(O)C(=O)NCCO2,0,GDB ChEMBL
116419,CCC([NH3+])C1OC1C,0,GDB ChEMBL
296600,CCCC1C(O)CCCCCCCC1(O)CC,1,GDB ChEMBL
396715,O=C1CCC2C(O)C2CN1CCO,0,GDB ChEMBL
351316,CC[NH2+]C1CCC(O)C[NH+]=C(N)OCCNC1,0,GDB ChEMBL
375842,CCC(CO)(C(C)OC)C(C)(C)n1ccnc1,0,GDB ChEMBL
156758,CCC[NH2+]CCC1C(=O)C(C(C)CO)C1C,0,GDB ChEMBL
258734,C[NH2+]CC1(O)C(C)C(=NO)CCCC1C(N)=O,0,GDB ChEMBL
249635,CCC(C)(OS(N)(=O)=O)C(O)C(=O)[O-],0,GDB ChEMBL
384837,Cc1sc(N)c(N)c1C(CC(N)=O)=N[O-],0,GDB ChEMBL
151278,CCCC(C)C(C)(O)CC1(C)CCC(C)CC1,1,GDB ChEMBL
394348,CC1CC(=O)OCC2C3CC3OC12,0,GDB ChEMBL
160326,CCC12[NH2+]CC(O)CC(C)C1C2(C)CO,0,GDB ChEMBL
208603,C#CCCC(C)(CO)C1CC(CCC)C(=[NH2+])N1,0,GDB ChEMBL
261189,CNC1(C(N)=O)CN(C=[NH+]C(C)CN)C1,0,GDB ChEMBL
330142,N#CCN1c2ccc(N)c(Br)c2CC1CC[NH3+],0,GDB ChEMBL
263259,COC(=O)C1C2(O)C=CC1(C=O)C(O)C2,0,GDB ChEMBL
391444,C#CCC(CCC)C1CC(C)(C)C(C)(C)C1,0,GDB ChEMBL
9921,CC1[NH2+]CC=CCC(C)(CC#N)C1N,0,GDB ChEMBL
83479,C#CCCC(CC#N)CCC,1,GDB ChEMBL
147996,CC1CC2C(O)CC3CC[NH+]2CC13,0,GDB ChEMBL
300146,N#CCC1CC1C(=O)NC(=N)N,1,GDB ChEMBL
234506,C[NH+]=CNC1COC(C(C)C)C1O,0,GDB ChEMBL
104433,C#CC1C[NH2+]CC(C(=O)[O-])C12CCCC[NH+]2C,0,GDB ChEMBL
284726,C=CC12CCCC1C2(C)C[NH+](C)C,0,GDB ChEMBL
280604,O=C1CC(CCO)CC2(COC2)OC1=O,0,GDB ChEMBL
361598,CC(C)(C)C([NH3+])C(O)c1cccc(Cl)c1,1,GDB ChEMBL
252676,CCC1CCC[NH2+]C2C3CC=CCC(C3)C12,0,GDB ChEMBL
307946,O=C(CO)Nc1nc(C(=O)[O-])cc(=O)o1,0,GDB ChEMBL
204476,OC1CCC(C2Cc3nc(F)cc(F)c3C2)C1,0,GDB ChEMBL
170284,CC(=O)c1cn2ccc(C(C)C)c2c(C)c1F,1,GDB ChEMBL
156742,C[NH+](C)CCC12OC1CC=CC2(C)C,0,GDB ChEMBL
165992,C#Cc1c(O)ccc2cccc(C)c12,1,GDB ChEMBL
289404,CCCC(CO)C(N)=[NH+]CC(=O)C(F)(F)F,0,GDB ChEMBL
184512,CNC(=O)C1NC2(C(=O)[O-])CC1([NH3+])C2(C)O,0,GDB ChEMBL
275618,CC(=O)CN=C(N)OC1CNC(=N)NC1=O,0,GDB ChEMBL
286276,CC(O)(Cc1ccc(F)cc1C#N)C(N)=O,1,GDB ChEMBL
278122,CCC(=O)C1(C#N)OC(=O)CC1(C)CN(C)C,0,GDB ChEMBL
64344,C#CC(=CC)CNc1nc(C)cs1,1,GDB ChEMBL
293791,CCCC(C)C=CC1CC=C(C)C1,1,GDB ChEMBL
125592,N=C(N=c1cc[nH]cc1)OCCO,1,GDB ChEMBL
183502,C#CCCC1CC(C)CC1(C)CCC,0,GDB ChEMBL
271482,[NH3+]C1CC1NC1CC[NH2+]C1,0,GDB ChEMBL
267355,CCN1C(=O)CCC2C(C)C=CC21CO,0,GDB ChEMBL
13117,C[NH+]1CC(O)COCC2CC(C)([NH3+])C1C2(C)C,0,GDB ChEMBL
147268,COCC(C)C12CC=CC=CC(CCC1)C2,0,GDB ChEMBL
16482,CCC1C2C=C(C)CCC2[NH+](C)C1C,0,GDB ChEMBL
101491,CCCCC(C)C(=O)CO,1,GDB ChEMBL
261449,CC1CCC2CC1C=CCC2(C)C,0,GDB ChEMBL
114368,CC1(O)CC(O)C2OC(C(N)=O)C([NH3+])C21,0,GDB ChEMBL
184641,Cn1ccc2nc(O)c(Cl)c([N+](=O)[O-])c21,1,GDB ChEMBL
11736,NC(=O)C12C[NH2+]CC(O)C([NH+]=C1N)C2CO,0,GDB ChEMBL
121515,CC1=CCCCC[NH2+]C2C1CC2(C)C(N)=O,0,GDB ChEMBL
36218,CC(C)N1CC(=O)C2(CC2CO)C1,1,GDB ChEMBL
27815,CC1CC2(C(=O)[O-])CC2(O)C1[NH3+],0,GDB ChEMBL
334415,CC1CC2C3[NH+](C4CCCC4)CCC23C1=O,0,GDB ChEMBL
165673,CCCC1CC2CCC1(C)C2C=O,1,GDB ChEMBL
138359,NC1CNC(=[NH2+])OC1C[NH2+]CC(=O)[O-],0,GDB ChEMBL
56620,CCN1C(=[NH2+])OC(CO)C2CC21,0,GDB ChEMBL
353218,CCC(C[NH3+])(CCC(C)C1CC[NH2+]CC1)OC,0,GDB ChEMBL
24718,COC1C(=O)CC2(CO)CC[NH2+]C1CN2,0,GDB ChEMBL
117405,CC1OC(=N)C2=CC(=O)NC(=O)C(N)C21,0,GDB ChEMBL
179458,CC(=O)C1C(C)CN(C)S(=O)(=O)CC1O,1,GDB ChEMBL
229456,CC[NH2+]C1C2C(=O)CCC12CO,0,GDB ChEMBL
343930,Cn1ncc2c1N(C=O)CCN2,1,GDB ChEMBL
389593,COC1CC2C3C([NH2+]C(C)C23C(N)=O)C1C,0,GDB ChEMBL
353248,C#CC(CC(C)C)c1ccc(F)cc1,1,GDB ChEMBL
97079,C[NH2+]CC1OC(C)(OC)C[N-]C(=O)C1C#N,0,GDB ChEMBL
227556,Cc1nc(=[NH2+])[nH]ccc2ncccc2[nH]1,0,GDB ChEMBL
306260,CC(O)C1C(C(N)=O)N1Cc1nnn[n-]1,0,GDB ChEMBL
153215,CCNC(CC)=[NH+]Cc1ncccc1Br,0,GDB ChEMBL
222054,CCC1(C)CCCC(C)(C)C2C[NH2+]CCCC21,0,GDB ChEMBL
77757,C#Cc1c(C)n(CC)ccc1=NCCC(C)=O,0,GDB ChEMBL
83494,C=CC1CC1C1OC(=O)CC1CC,0,GDB ChEMBL
149305,CN(C(=N)N1CC1)S(=O)(=O)CCO,1,GDB ChEMBL
41656,CC1(O)CC(=O)C1CCCCC(=O)[O-],0,GDB ChEMBL
174938,CC1[NH2+]CCCOC1c1nnncc1N,0,GDB ChEMBL
235195,C#CCc1ccc(I)c(NC(C)CCCC)c1,1,GDB ChEMBL
330157,COCCC1(C)C(=O)NC2(CC2)C1=O,0,GDB ChEMBL
23478,[NH3+]C1(c2cc(Cl)cnc2Cl)CC1,0,GDB ChEMBL
276025,CN1CC[NH2+]CCNCC1=O,0,GDB ChEMBL
274080,Cc1c(N)cnc(Br)c1CC(N)=O,1,GDB ChEMBL
307988,O=C([O-])C=C[NH+]1CCCC2CC2C1,0,GDB ChEMBL
93409,CC(=O)C(C)C(=O)[C-]1CN(C)C(=O)C1=O,0,GDB ChEMBL
296026,COC1CC2(O)COC(C)C2C1CO,0,GDB ChEMBL
37621,CCN(C)C(=O)c1cc(N)cncoc(=O)s1,0,GDB ChEMBL
38913,CCCCC(C)CC(=O)CCC1(C)OCCO1,1,GDB ChEMBL
127013,N#CC1(CCNCC[NH3+])CC1,0,GDB ChEMBL
277595,[NH3+]CC1NC(=O)OC12C1COC2OCC(O)C1,0,GDB ChEMBL
308130,COC(=O)N(C)c1c(C2CC2)cc[nH]c1=[NH2+],1,GDB ChEMBL
1997,Cc1nc(O)c(Cl)cc1O,1,GDB ChEMBL
68513,CCC1(CC(CC#N)CC(F)(F)F)CCCC1,1,GDB ChEMBL
174641,NC1CC[NH2+]C1C1([NH3+])CCC(CC(=O)[O-])C1,0,GDB ChEMBL
382560,[NH3+]C(CCO)CCNc1nccnc1O,1,GDB ChEMBL
149416,C#CC1(CO)C(CC([NH3+])CC)N1C,0,GDB ChEMBL
334753,C#Cc1c(C)ccc(Cl)c1C1C2C=CCC21,0,GDB ChEMBL
295921,CC1CCC2C(CNC=O)C(=O)NC2C(=O)N1,0,GDB ChEMBL
271477,[NH3+]CC1CC2OCC1C2CO,0,GDB ChEMBL
215690,C#CCC(CC#C)c1c(C)c(Br)cc(Br)c1C,0,GDB ChEMBL
140373,CC(=O)N(C)C12CCC(CC(N)=[NH2+])C1C2O,0,GDB ChEMBL
383051,CC1(O)CC(O)C(OCC[NH3+])CC([NH3+])C1O,0,GDB ChEMBL
47980,CC12OC(=O)NC1COC(C[NH3+])OC2C(=O)[O-],0,GDB ChEMBL
11702,CNC(=O)CCC1OCC=C1C[NH3+],0,GDB ChEMBL
36188,CC1CC2C=CCC(C(C)C)C2(C)C1,0,GDB ChEMBL
351411,NC(=O)C(NC=O)C(CO)C1CO1,1,GDB ChEMBL
330163,CC1C([NH3+])C1C[NH2+]Cc1cc(Br)ccn1,0,GDB ChEMBL
274877,CC1OC(CO)C2C(=O)[N-]S(=O)(=O)C2C1[NH3+],0,GDB ChEMBL
122679,CC1(C)CC=CCCC1CCCC1CCC1,0,GDB ChEMBL
274070,CC(C)C1C(O)C2C=CC1C21CC1,1,GDB ChEMBL
148500,C[NH2+]C1CC(C#N)C2OC2C1O,0,GDB ChEMBL
352807,Cc1cc(OC(C)C)n[nH]1,1,GDB ChEMBL
222147,CS(=O)(=O)NC1CC2NC1C(O)C2[NH3+],0,GDB ChEMBL
386181,CC1C2C(C([NH3+])C(=O)[O-])NC(=O)C12[NH3+],0,GDB ChEMBL
277685,CCCC1(CC)C(CC)CCC2CC(C)CC21,0,GDB ChEMBL
377801,CCCC(CO)C1(C#N)CO1,0,GDB ChEMBL
227318,CCOC(C)C(C(N)=O)C1CC1C=O,0,GDB ChEMBL
256168,CCC1CC[NH+](CC)CC(C)(C)C[NH+]1C(C)C,0,GDB ChEMBL
118827,C#CC(=O)c1c(F)cc(C)c(O)c1CCCO,1,GDB ChEMBL
340096,CCCCC1(C2CCC2)CC=CC1C[NH2+]C,0,GDB ChEMBL
261413,[NH3+]C1CC(C(=O)[O-])C2OCC1CC2O,0,GDB ChEMBL
318502,CC1C2CC3(CC[NH+]1C3)C[NH2+]2,0,GDB ChEMBL
383099,Cc1ccc(=O)c(N)cc1CC#N,1,GDB ChEMBL
361761,N#CC(CNC(=O)C[NH2+]CC(=O)[O-])=N[O-],1,GDB ChEMBL
34234,O=CC1C2CCCC2C[NH+]1CC1CC(O)CO1,0,GDB ChEMBL
115614,CCC(C[NH3+])NC(N)=[NH+]CCO,0,GDB ChEMBL
370366,CC1=CCCC2CCC(C)(C(C)C)C1C2,0,GDB ChEMBL
131648,CCCC1(C(C)C)C2(C)CCC1(C)CC2,0,GDB ChEMBL
95507,C=CCCC1Cn2ccc(CC)c21,0,GDB ChEMBL
375440,N#CC1CC(CO)CC2[NH2+]CC12,0,GDB ChEMBL
302282,CC1(C)C=CC2[NH2+]CCC21,0,GDB ChEMBL
287306,CCN(CC#N)C(=O)OC=N,1,GDB ChEMBL
150563,CCNC(=O)N1CCCOC1=O,1,GDB ChEMBL
182127,CC1CC(O)C(C2(C)CC(C)CC2[NH3+])C1,0,GDB ChEMBL
62048,CN=C1OC(C)c2c(F)ccc(F)c21,1,GDB ChEMBL
294430,CC1C[NH2+]CCC2CCC[NH2+]CC(C)(C)C1C2,0,GDB ChEMBL
177091,CCc1cc(C)n(CC2CCO2)c1,1,GDB ChEMBL
37279,CCC(NCS(N)(=O)=O)C(C)O,1,GDB ChEMBL
208354,CNC(=O)Oc1c(C)c(N)[nH+]c(C)c1Cl,0,GDB ChEMBL
201155,Cc1c2c(cc3cc(I)ccc13)CCC2C,1,GDB ChEMBL
81581,NC(=O)C1(O)C(O)C(O)C([NH3+])C1C(=O)[O-],0,GDB ChEMBL
374052,C[NH2+]CC1(C)C2C=CCCCC1(C)C(C)C2,0,GDB ChEMBL
100698,CCC([NH3+])COC(C)(C)CC,1,GDB ChEMBL
261320,NC1C[NH+]2C(C(=O)[O-])CCC12,1,GDB ChEMBL
228869,COC1(C)C(N)=NC(C[NH3+])CC(C)CCC1O,0,GDB ChEMBL
184503,C#CC1=CCCCC=CCC(C)(C)C1,1,GDB ChEMBL
334607,CCC1CC2[NH2+]C(C)CC1C2C,0,GDB ChEMBL
31415,Cc1cccc(C2CCC3CCC2(C)C3C)c1,0,GDB ChEMBL
363580,CC1CCC2C(CO)CC1OC2C[NH3+],0,GDB ChEMBL
256026,CN1CC[NH2+]CC1C(=O)c1cc(C(=O)[O-])no1,0,GDB ChEMBL
228408,C#CCC[NH+]=C(N)NC(CN)CO,0,GDB ChEMBL
71703,CC(=N)N(CC#N)C(=O)N(C)C(C)(C)C[NH3+],0,GDB ChEMBL
385454,C[NH2+]CC1CC(=O)C2(C)C(=NCCN2C)O1,0,GDB ChEMBL
139799,NC(=O)CC([NH3+])C1COC(=O)C(O)C1C[NH3+],0,GDB ChEMBL
269364,CC1=CC(C=O)[NH+](C2CCCC2)CC1,0,GDB ChEMBL
152018,N#CC12[N-]C(=O)OC1C(O)C[N-]C2=O,0,GDB ChEMBL
213981,C=CC1OCOC(=O)NC1C(N)=O,1,GDB ChEMBL
230716,Cc1nc(C2(C)CCCOC2)n(C)c1C,0,GDB ChEMBL
316438,C#CC(N)(C(C)C)C1CC(C)C[NH+]1CC,0,GDB ChEMBL
261403,CCC(CC)(CCCOC)[NH2+]C,0,GDB ChEMBL
249523,C#CC(C)Cc1cc(C)c(N)c(Cl)n1,0,GDB ChEMBL
129609,O=C1NCC(C2C=CCS(=O)(=O)[N-]C2=O)O1,0,GDB ChEMBL
391653,Cc1ccc(Cl)c2c1C(CO)C(C)C2,1,GDB ChEMBL
219527,CC(C)[NH2+]CCCC1C(=O)NCCS1(=O)=O,0,GDB ChEMBL
343277,COC1C=CC2C(=O)C=C(C)C2C1(C)C,0,GDB ChEMBL
111475,Cc1cc(N)c2cn[nH]c2c1Br,1,GDB ChEMBL
80274,N#CC(N)(C(=O)[O-])C1CN(C(N)=[NH2+])C=N1,0,GDB ChEMBL
29493,COc1c(OC(C)C(C)O)nn(C)c1N,0,GDB ChEMBL
124299,CCC[NH2+]Cc1ccnc(OC)c(C)ccs1,0,GDB ChEMBL
198631,Cc1c(F)cc2c(c1C)CCC(C)C=C2,1,GDB ChEMBL
124527,CC(C[NH+](C)C)C(C)NC=[NH+]CCN,0,GDB ChEMBL
23986,C#CCC(C)C(C)CC(C)(CC)CC,0,GDB ChEMBL
263873,CNC(CC[NH3+])c1ncc(C(N)=O)s1,0,GDB ChEMBL
87681,C#CC(N)(CNC(=O)N1CCC1)CC(C)[NH3+],0,GDB ChEMBL
66175,CC(O)(CC([NH3+])CN)C(C)(C)C1CCC1,0,GDB ChEMBL
90354,C#CC1N(C(=O)CO)C2CCC1(C[NH3+])NC2,0,GDB ChEMBL
149979,NS(=O)(=O)CCC[NH2+]CC=O,1,GDB ChEMBL
204168,COCC1C(C)C[NH+]1C1CC1,0,GDB ChEMBL
46044,CCC(CO)CCC1(C(C)C)CC1(C)C,1,GDB ChEMBL
181001,C#CC1(CCC)CCc2ccc(F)cc21,1,GDB ChEMBL
99421,CC[NH2+]C1C(=O)C(C)(C)OC2CCC(O)C21,0,GDB ChEMBL
359124,C#Cc1csc(C(=O)CNC(N)=[NH2+])n1,0,GDB ChEMBL
333072,CC(O)CC([NH3+])CC[NH3+],0,GDB ChEMBL
124326,CC1CC([NH3+])C(C)OC(=N)C1C,0,GDB ChEMBL
34745,CCC(CO)C(OC)C1(C)OC1C,1,GDB ChEMBL
29963,CC1C2OCC(NC(=O)C[NH3+])C1C2(O)CO,0,GDB ChEMBL
97203,C#CCCCC(C)(C)C1CCC(CC#C)C1C,0,GDB ChEMBL
387051,C#CC([NH3+])(CC(=O)[O-])C12CC1NCCO2,0,GDB ChEMBL
204209,CC12C3CC([NH3+])C(O)C1C2(N)C(=O)O3,0,GDB ChEMBL
270077,CC1OC(CS(=O)(=O)[O-])(C(=O)[O-])C1[NH3+],0,GDB ChEMBL
160057,C#CC(NC(N)=[NH+]C)C(OC)C(N)=O,0,GDB ChEMBL
190338,CC(O)C1CC2CCC(C)C1C2,1,GDB ChEMBL
286894,NC1(CO)C[NH2+]C(C(=O)[O-])CC1O,0,GDB ChEMBL
107827,CN1CC(N)C(=O)OCC1=O,1,GDB ChEMBL
133316,C#CC1CC1CCC(C)([NH3+])C[NH+](C)CCC,0,GDB ChEMBL
380259,COCC(=N)OCCNC=O,1,GDB ChEMBL
273688,CC(C)(C)OCCOCC(=O)[O-],1,GDB ChEMBL
391452,CC1(O)CCC(CO)(CO)CC1,1,GDB ChEMBL
6516,C#Cc1c2cc(C(C)C[NH3+])cc(O)c2nn1C,0,GDB ChEMBL
395150,CCCC1C(=O)C=C(C=O)NC1=O,1,GDB ChEMBL
217716,CC(=O)C1=C(CCO)C(C)C(O)C1(C)C,0,GDB ChEMBL
242647,C[NH2+]C1C(CCO)CC2([NH3+])CC12,0,GDB ChEMBL
206997,CC(CCC#N)N1Cc2cc[nH]c2C1,1,GDB ChEMBL
180985,N#CCN1c2cc(O)nn2CC([NH3+])C1C(=O)[O-],0,GDB ChEMBL
258030,CCC(=NCC(O)CO)OCC1OCCO1,1,GDB ChEMBL
260699,CC(=N)N(C=N)C(=O)CCC(C)=O,1,GDB ChEMBL
156478,NC(=O)C1CC2NC(=O)NC21,1,GDB ChEMBL
172747,CCC1C[NH2+]CC2C(O)CC[NH+]2C2CC2C1,0,GDB ChEMBL
378279,C=C(C(=O)OCCO)C(N)C(N)=[NH2+],0,GDB ChEMBL
80494,CC#Cc1c(F)ccc(F)c1C[NH3+],1,GDB ChEMBL
29659,CC12CCCC1C(C(F)(F)F)OC2,0,GDB ChEMBL
76996,[NH3+]C1CC2COC1C(CO)N2,0,GDB ChEMBL
32006,C#CC1CC(C(=O)[O-])OCCC(=O)NC(=N)N1,0,GDB ChEMBL
310100,CCC1C([NH3+])CC(C)C12CO2,0,GDB ChEMBL
215721,CC(C)C(O)C12COC(C1)C(=O)O2,1,GDB ChEMBL
284302,COCC#CC1(N(C)C=O)CC(O)C1,0,GDB ChEMBL
196713,CC(C(=O)[O-])C1OC1C1(C)CS(=O)(=O)[N-]C1=O,0,GDB ChEMBL
338526,C[NH2+]C1C(C)C12CCC=C(C)CC2,0,GDB ChEMBL
100742,C=C1CCC(C)C([NH2+]C)CC1(C)C,0,GDB ChEMBL
189833,CC(C)C(N)=[NH+]c1sccc1C(O)C[NH+](C)C,0,GDB ChEMBL
277623,CC(C[NH2+]CCN)C1COC1,0,GDB ChEMBL
73875,NC(=O)CN1Cc2[nH]nc(CO)c2C1,1,GDB ChEMBL
386530,C=CC(C)C1C(C)CC=CCC1C,0,GDB ChEMBL
286983,CCCC(C)C1CC2CC(OC)CC21,0,GDB ChEMBL
354100,CN1CC23CC2(CS(=O)(=O)N3)C([NH3+])C1=O,0,GDB ChEMBL
339031,Cc1ccnc2c1OC1OCCC21,0,GDB ChEMBL
137122,CC1(C2(CC#N)CC2)CC(=O)C=C1C(=O)[O-],0,GDB ChEMBL
179463,CNS(=O)(=O)CC(C(=O)[O-])C(C)O,0,GDB ChEMBL
263169,CN=CN(CC#N)C(C)(COC)COC,0,GDB ChEMBL
20147,C1=CCC2CCCC(CCC1)C2,1,GDB ChEMBL
179291,CCC#Cc1ncscc(C#N)ncc1C,0,GDB ChEMBL
305177,C#CC([NH3+])Cc1ccc(C(C)(C)CO)c(F)c1,0,GDB ChEMBL
124262,CC(NCC[NH3+])C(O)C(N)=[NH2+],0,GDB ChEMBL
81455,O=C1CN2C(=O)NC3C(O)CC(O1)C32,0,GDB ChEMBL
274599,COC(=O)NCC1CS(=O)(=O)NCC2NC12,0,GDB ChEMBL
354627,CC1CC[NH2+]CC=CC2CC1C2,0,GDB ChEMBL
345489,CS(=O)(=O)NC1COC12C[NH2+]C2,0,GDB ChEMBL
330014,CC=CCc1c(C)cc(C)cc1C,1,GDB ChEMBL
193309,Cc1cncc2c(F)c(CC(C)[NH3+])c(=O)[nH]c12,0,GDB ChEMBL
5228,Cc1nccc(F)c1C1(C=O)CCC1,1,GDB ChEMBL
370375,CCC12CCC(C[NH3+])(CC1)CC2,0,GDB ChEMBL
200543,CC1(C)CCC(CC[NH3+])(CC2CC2)C1,0,GDB ChEMBL
83052,CN1CC[NH+](C)CCC[NH+]2CC(C[NH3+])(C1)C2,0,GDB ChEMBL
184901,C[NH2+]CC1C=CCCCc2cc([nH]c2C)O1,0,GDB ChEMBL
149317,CC1C(C(=O)[O-])C(N)=[NH+]CCN1CC(N)C#N,0,GDB ChEMBL
300682,C[NH2+]C(C)C(OCC[NH3+])C(C[NH3+])CO,0,GDB ChEMBL
111494,CNC(=O)CN1CC(O)(C([NH3+])COC)C1=N,0,GDB ChEMBL
251061,C=C(CC)C(OC)C(=C)C(O)CC,1,GDB ChEMBL
274153,N#CC1CC12CC([NH3+])C(=O)N2,0,GDB ChEMBL
280011,CCC([NH3+])(CCC[NH3+])C1CCC(C)CC1[NH3+],0,GDB ChEMBL
127027,[NH2+]=C1CC2COCC(O)CNC(CN1)C2C[NH3+],0,GDB ChEMBL
347995,O=C1CC(O)C2CC2C(=O)N1,1,GDB ChEMBL
190510,NC1C[NH2+]C2CCC2C(O)C1,0,GDB ChEMBL
234871,CCCC(C)OC1C(CO)CC(C)C1C,1,GDB ChEMBL
227608,CNc1c(Br)ccc2c1OCCCCC2,1,GDB ChEMBL
195306,CC(NC1(C#N)CC1C(O)C=NO)C(N)=O,0,GDB ChEMBL
345503,C#CC(C)CN(C)c1ncc(Cl)cc1Cl,1,GDB ChEMBL
87058,CCC1(CC(C(C)O)C(F)(F)F)CCCCC1,0,GDB ChEMBL
101029,COc1cc(O)nc(C)n1,1,GDB ChEMBL
25188,COC1(CNC(=[NH2+])CCO)CC1,1,GDB ChEMBL
123011,CC(=O)OCC1COC(C)O1,1,GDB ChEMBL
50356,CCC1CCCC=CC1=CCC#N,1,GDB ChEMBL
1439,COc1c(Cl)c(N)nc2ncnc([N+](=O)[O-])c12,0,GDB ChEMBL
215875,CCCC1CCC2=CC(O)CC21,0,GDB ChEMBL
201712,N#CC1CC2CC[NH2+]C(C=C1CO)C2,0,GDB ChEMBL
203829,C#CCC1CCCC(CC)C1([NH3+])CC(O)CC,0,GDB ChEMBL
285719,C[NH2+]C1CC(CO)C2NS(=O)(=O)CC2C1=O,0,GDB ChEMBL
67351,CCC(=O)C(C)(C)c1ccc(Cl)c(CC=O)c1,1,GDB ChEMBL
240818,C#CC(C)[NH2+]C1CCC(C)(C)C(CC)C1C,0,GDB ChEMBL
207924,CCC(=O)Nc1nc(Br)cc(N)c1NC(C)C,1,GDB ChEMBL
16548,CCC1C(=O)Nc2cc(C)sc2C(OC)C1C,0,GDB ChEMBL
306309,O=C([O-])Cc1nn(CCO)c(O)cc1=O,0,GDB ChEMBL
194730,C[NH+](C)CC1C=CC(=O)C12CO2,0,GDB ChEMBL
339066,Cc1nccc(C2(C)NCC(C)(C)NC2=O)n1,0,GDB ChEMBL
311040,CC1=CCC2CC(CC1)CC2(C)CC(C)C,0,GDB ChEMBL
337791,N#CC1CC12CC(C(=O)[O-])NC(N)=N2,0,GDB ChEMBL
103513,CC1=CC(C)(C)C(CNC(N)=[NH2+])CCC1,0,GDB ChEMBL
263797,C#CC1(C)CC(c2c(C)cccc2I)C(C)[NH2+]1,0,GDB ChEMBL
205773,CC1C[NH2+]CC(O)CC([NH3+])C1N,0,GDB ChEMBL
379849,[NH3+]C(C(=O)[O-])C1CC1(CO)OC=O,1,GDB ChEMBL
375508,CCCC(=O)C#CC(C)(C)O,1,GDB ChEMBL
53084,CC#CC([NH3+])COCC1CCCC(C)(O)C1,1,GDB ChEMBL
372495,CCCC(C)C1CC=CCC2CC21C,0,GDB ChEMBL
333880,CCC1C2[NH2+]CCC(C)(C)C12,0,GDB ChEMBL
15523,NC1C([NH3+])C(O)C2C(=O)NC(=O)OC12,0,GDB ChEMBL
191339,CC(O)C1NCC[NH2+]C(C)C(C)C1(C)O,0,GDB ChEMBL
124282,CCC1CC(C)(C)CCCC1OC,0,GDB ChEMBL
211130,Nc1n[nH]cc1C1CNC(=O)CO1,1,GDB ChEMBL
243788,CCc1cc(F)c(F)c2c1CC1CC1CC2,1,GDB ChEMBL
156155,Cn1ccc(NCC(=O)[O-])c1C(C)(O)C[NH3+],0,GDB ChEMBL
227321,CC12CC(OC3C[NH+]=C(N)CC31)C(=O)C2CO,0,GDB ChEMBL
21517,C[NH2+]C12CCCN3CC([NH3+])C1C32,0,GDB ChEMBL
379157,CC[NH+](C)CC12CCOC(CCC1=O)O2,0,GDB ChEMBL
177894,COC(=O)NCc1cc2c([nH]1)CCCC(O)C2,0,GDB ChEMBL
59712,CC1NC(CC#N)(CCO)C1C(N)=O,0,GDB ChEMBL
397082,CC1(C)C2CC3C(C=CC(=O)N2)C31,0,GDB ChEMBL
124304,CNC(=O)CN(C)C1C(=O)NC(=O)C1OC=O,0,GDB ChEMBL
319337,CCC12OC(=O)NC1(C)C2[NH3+],0,GDB ChEMBL
159680,COC1C(C)CC2CC3=CCCC3C21,0,GDB ChEMBL
108168,NC(=O)C1C(=O)OC2(C(N)=O)CCC(O)C12,0,GDB ChEMBL
136708,CC1CC[NH2+]C(C(=O)[O-])C1CO,1,GDB ChEMBL
157701,CNC(=O)C1C2OCC3C2N3C1CO,0,GDB ChEMBL
111523,CNc1c(F)ccc(O)c1O,1,GDB ChEMBL
85049,CC(O)(CC(N)C[NH3+])C1(O)CC1,0,GDB ChEMBL
171323,NC(=[NH2+])CC1NC(=O)C(O)C(O)C1O,0,GDB ChEMBL
374907,Cc1nc(CNC(=O)CC(=O)C(=O)[O-])n(C)n1,1,GDB ChEMBL
386549,CCC1CC2OCCC1O2,1,GDB ChEMBL
169356,CC(C(O)CC[NH3+])C(C#N)C(=N)NC=O,0,GDB ChEMBL
259472,CCC1CCC(C)(CC(C)C)CC(C(C)C)C1,0,GDB ChEMBL
148364,C[NH2+]C1CCC=CC1CC(C)C,0,GDB ChEMBL
397916,CCC1CC(OC)C2(C)CCC3CCCC312,0,GDB ChEMBL
117431,Cn1cc(NC(N)=O)nc1O,1,GDB ChEMBL
216562,CC1C=CC2OCCCC2C1C,0,GDB ChEMBL
315228,CC(=O)c1cnccc1S(N)(=O)=O,1,GDB ChEMBL
40390,CC[NH+](C)C1CC=C(C)C1,0,GDB ChEMBL
345739,C[NH+](C)CCC1(C)C2CC(O)C1C2,0,GDB ChEMBL
278245,C#CCC1=CC(C(F)(F)F)CC(CCC)C1,0,GDB ChEMBL
115608,C[NH2+]CC1=CC(NC(N)=[NH2+])C(N)(C(N)=O)C1,0,GDB ChEMBL
379744,OCC1CCC2Cc3cc(Br)ccc3C2CC1,1,GDB ChEMBL
350255,CC(CO)Cc1cnc(I)c(C(N)=[NH2+])c1,0,GDB ChEMBL
324296,CNC(=O)C(C(O)S(N)(=O)=O)N1CC1,0,GDB ChEMBL
69606,CC1CCCC1C1CCCC1[NH3+],0,GDB ChEMBL
344388,CC1=CC=CCC=CC=CCCC1,0,GDB ChEMBL
277887,CC1(C=O)CCOC(=O)N(C(N)=O)CCO1,0,GDB ChEMBL
346849,CCC1(CC(N)=O)OC1Cn1ncnn1,0,GDB ChEMBL
11197,CC1CC2CC3CCC(C[NH2+]2)C13,0,GDB ChEMBL
34246,[NH3+]CC1CC2OC(=O)N3C(C(=O)NC1=O)C23,0,GDB ChEMBL
88161,CCC(C)C1CCOC2(C1)CC(C)(C)CC2C,0,GDB ChEMBL
348664,C#CCCCC(C)(CC)CC(CC#C)C(C)C,0,GDB ChEMBL
394915,Cc1cnc(F)c(N2CC3OCC(C)C3C2)c1,1,GDB ChEMBL
50229,CC1C2(O)CC([NH3+])CC12C1[N-]C(=O)NC1=O,0,GDB ChEMBL
38885,CC1CCC[NH+]2C(C)C(CCO)CC12,0,GDB ChEMBL
142373,CC1(CCCCN2CC2)CCCCC1,1,GDB ChEMBL
324000,CN(C(N)=[NH2+])C1CC1C=O,1,GDB ChEMBL
269185,CC1CCOC2CCC=C2C(C)(C)CC1,0,GDB ChEMBL
180952,C#CCC(C(C)CCC)C(C)(C)OC(C)CO,0,GDB ChEMBL
12743,CC1=CCC2C(O)CC([NH3+])C(C1)C2O,0,GDB ChEMBL
188538,CC1C[NH+]2CCC3CC3C1C2C,0,GDB ChEMBL
230733,CCCC(O)c1c(C)c(N)c[nH]c1=O,1,GDB ChEMBL
2128,C[NH2+]C1C=CCC1S(=O)(=O)NCC(N)=O,0,GDB ChEMBL
317551,N#CC1C2CCC(=O)NC1C2,0,GDB ChEMBL
334715,CC(CN1CC([NH3+])C1)N(CC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
174033,CNC(=O)C12CC(O)C([NH2+]C)C1O2,0,GDB ChEMBL
207904,CCC12CCCC(C[NH+](C3CC3)CC1)C2C,0,GDB ChEMBL
239367,CCCC(C)C(O)C(C)=CC(N)=[NH2+],0,GDB ChEMBL
95910,CC1(O)CC(O)CC1C(=O)C(N)=O,1,GDB ChEMBL
324313,CCc1nc(NC(N)=[NH2+])c(C(N)=[NH2+])s1,0,GDB ChEMBL
389395,CCC([NH3+])C1(C)CC(C)C(O)C(CO)O1,0,GDB ChEMBL
240804,CCC(O)(CO)CC(C)(C)Nc1nn[nH]n1,0,GDB ChEMBL
39956,NC(=O)c1nc(O)ncc1Br,1,GDB ChEMBL
87042,CCC1CC=CC=C2CCCC1C2,0,GDB ChEMBL
234900,CCCC1CC([NH2+]CCO)C1,0,GDB ChEMBL
359044,C[NH+]1CC(CC(C#N)(C=O)CC(F)(F)F)C1,0,GDB ChEMBL
44970,Cc1cc(C2(OC(C)(C)C)CC2)cnc1Cl,1,GDB ChEMBL
109201,C[NH2+]CC(CO)(CO)C(O)C#N,0,GDB ChEMBL
106603,CC(C[NH3+])CCC(C)(C)[N-]C(=O)C#N,0,GDB ChEMBL
4816,Cc1[nH]c(C(C)C)c(N(C)C)c1C1CCC1,1,GDB ChEMBL
341911,CCC1(C)CC(C)CCCCCC(C)CO1,0,GDB ChEMBL
338404,CC1CC(C)C(C(C)C)C1,1,GDB ChEMBL
57255,O=C1CC(O)C2COC2CN1,0,GDB ChEMBL
169106,CC(O)C([NH3+])C1COC1C(N)=O,0,GDB ChEMBL
141861,C#CC(CO)C(=N)Nc1cc(F)ccn1,0,GDB ChEMBL
181687,O=C1OCC2C3CC(O)C(C3)C12,1,GDB ChEMBL
274939,[NH3+]Cc1cnoc1COCCO,0,GDB ChEMBL
260537,CC(CNC(N)=[NH2+])C1CC1(O)C#N,0,GDB ChEMBL
297257,Cc1c[nH]c(C)c(C#N)c(C)c(N(C)C)cn1,0,GDB ChEMBL
363572,CC(C)C(=O)C1=CCOC(C(F)(F)F)CC1,1,GDB ChEMBL
271848,C[NH2+]C(C1(C)CC1)C1(O)C(=O)NCC1O,0,GDB ChEMBL
133366,CC#CC1(C)CCCCC[NH+]1C,0,GDB ChEMBL
118419,CCC1OC(=O)C2CC1(O)CC(O)C2C,0,GDB ChEMBL
184113,N#CCC1NCC2([NH3+])CC1NC2C(=O)[O-],0,GDB ChEMBL
20787,CCC(C)(C)CCCC1(C)CCCC1,1,GDB ChEMBL
273810,CC1=CC(=O)C(=O)OC(CO)(C(N)=[NH2+])C1,0,GDB ChEMBL
246956,CCc1cc(Cl)c2c(c1CC)C(C)CC2(C)C,1,GDB ChEMBL
41642,C#CC1C(C)C2CCCC(CCCC)C1(C)C2,0,GDB ChEMBL
115232,OCC1CC2(CC2)C2NCCOC2=N1,0,GDB ChEMBL
136138,CNC(C[NH3+])(C(=O)[O-])C(C[NH3+])C(=N)OC,0,GDB ChEMBL
312238,CC1CC(C2CCCC([NH3+])C2)C(O)C1O,0,GDB ChEMBL
250558,CC(O)C1[NH+](C)CCC(C#N)C12CC2C,0,GDB ChEMBL
281687,Cc1cnc(=O)c2cc(C#N)nn2c1C=O,0,GDB ChEMBL
165229,COC(=O)C1CC2OC2C12CC2,1,GDB ChEMBL
362034,CC([NH3+])C1C2C[NH2+]C1C(CC#N)C2,0,GDB ChEMBL
359195,C[NH2+]C1CC2(C=CCO2)C1C(C)(C)O,0,GDB ChEMBL
156228,CCNC1=NC(C#N)(COC)CN1,0,GDB ChEMBL
84514,CCCNC(CO)C(=O)C(=O)c1noc(=O)[nH]1,0,GDB ChEMBL
24263,CC1Cc2c(c(Cl)c(CCO)c3c2OCC3)O1,1,GDB ChEMBL
191281,C[NH+](C)CC#CCNCc1cccnn1,0,GDB ChEMBL
286334,CC(C)C1([NH3+])C=CCC1C1CNC(=O)O1,0,GDB ChEMBL
311300,C#CC1(O)C(COC(C)C[NH2+]C)C1OC,0,GDB ChEMBL
64629,CCOC1C=C(CC(C)C)CC1(C)O,1,GDB ChEMBL
281026,NC(=O)C1N=C(CO)NCC1=O,0,GDB ChEMBL
129381,C#CC1OC(=O)NC(=O)CN(C)CC12CO2,0,GDB ChEMBL
33310,CCC1CC=CCC1C,1,GDB ChEMBL
340546,C[NH2+]C(CC1(C)OC(NC=O)=NC1C)C(N)=O,0,GDB ChEMBL
227954,Cc1cc(C2C=CC3(CC3)[NH2+]2)ccc1Cl,0,GDB ChEMBL
378120,CCC1(C)CCC(O)(CC=O)C(CO)C1,1,GDB ChEMBL
62114,COC1C([NH3+])C(C[NH3+])C2([NH3+])C(C(=O)[O-])C12,0,GDB ChEMBL
294193,CC(C)C(CC#N)N1CC(O)C1C=O,1,GDB ChEMBL
384242,C#CC(C[NH2+]C(C)CC(=[NH2+])NC)C1CCCC1,0,GDB ChEMBL
366719,CNC(CNc1nc(C)ns1)=[NH+]CCO,0,GDB ChEMBL
330939,COCC1CC(C)C(=O)N2C3C[NH+](C)CC132,0,GDB ChEMBL
238167,CCCC1CC2(O)C[NH2+]C(C2)C1OC,0,GDB ChEMBL
193333,CNS(=O)(=O)C(OC)C(O)C([NH3+])CO,0,GDB ChEMBL
148326,CCC12CC(CC1=O)[NH2+]C(C)CC2C,0,GDB ChEMBL
172713,CCc1coc2c1N(C(C)C)C(COC)C2,0,GDB ChEMBL
300205,CCCCC1(C(C)[NH2+]C)CCC2CCC1(C)C2,0,GDB ChEMBL
256014,CNS(=O)(=O)c1cc(=N)sc(C)c1C(N)=[NH2+],0,GDB ChEMBL
271505,CC(O)(CNC=O)C(C#N)C(=O)[O-],0,GDB ChEMBL
339256,CC(CC(C)(C)[NH3+])C1=NC(C[NH3+])CO1,0,GDB ChEMBL
61802,CC[NH2+]CC1COC(C)C(C)NS1(=O)=O,0,GDB ChEMBL
225378,C=C1CCCCCCC1C=C(C)C,1,GDB ChEMBL
307858,CCCC1[NH2+]CC=C2c3ccn(C)c3CC21,0,GDB ChEMBL
48104,CC1CCC(=[NH2+])N2CC(N)C(C2)[NH2+]C1C(=O)[O-],0,GDB ChEMBL
177856,[NH3+]CC1CC(CO)C2CCC1(O)C2,0,GDB ChEMBL
358529,CC[NH+]1CC2(OC(C)C)C(C)CCC1C2C[NH3+],0,GDB ChEMBL
367638,C[NH+](C)CC#CC1CC2CC(C)(O)CC2O1,0,GDB ChEMBL
11240,CCCC1CC2(NC=O)COC1(C)C2,0,GDB ChEMBL
367829,CC(CO)(C(=O)CO)C(F)(F)F,1,GDB ChEMBL
387251,CC1OC12CC(O)CCC2C[NH3+],0,GDB ChEMBL
256118,CC1CCC2CC1(C)CCC2[NH3+],0,GDB ChEMBL
240364,Nc1nccsc(N)cc(O)n1,0,GDB ChEMBL
212605,O=C1CCNC(=O)C2(CNS(=O)(=O)C2)N1,0,GDB ChEMBL
322871,C#CC(NCC([NH3+])CCOC)=[NH+]C,0,GDB ChEMBL
174935,CCC(C)C1OCC(C(C)C[NH3+])NC(=O)C1O,0,GDB ChEMBL
270061,C#Cc1c(OC)cc2c(O)n[nH]c2c1C(N)=O,1,GDB ChEMBL
29673,CC1=CCC(C)(CO)C1C1CC(C)C(C)C1,0,GDB ChEMBL
21468,c1cc2occc2cn1,1,GDB ChEMBL
298250,CC(C)C(=O)Nc1ncn2c1NC(=[NH2+])CCC2,0,GDB ChEMBL
103430,CC=Cc1nc(CO)sc1C[NH2+]C,0,GDB ChEMBL
174820,O=C1NC2COC3C(=O)OC2C3O1,0,GDB ChEMBL
263255,[NH3+]CC12CN(C1)C2C(=O)[O-],0,GDB ChEMBL
374390,CCc1c2ccc(c1F)CCC=CCC=C2,1,GDB ChEMBL
338145,CC12C(C(N)=O)NC(=O)C1C2[NH3+],0,GDB ChEMBL
169099,NC1=[NH+]C(CO)C(O)C(O)CN1,0,GDB ChEMBL
199465,COC1C2CC(O)C([NH3+])(C(=O)N2)C1O,0,GDB ChEMBL
109620,CC(O)c1cnc(N)c(CO)n1,1,GDB ChEMBL
396134,CCC(=NO)c1nc(N)cc(=O)n1C,1,GDB ChEMBL
120894,CCc1cc(C(C)C)c(COC)c(N)[nH+]1,0,GDB ChEMBL
358821,CCc1c(N)c(O)cc(NC=O)c1C(C)[NH3+],0,GDB ChEMBL
398774,CC(OCCC1CCC(O)C1)C(C)(C)C,1,GDB ChEMBL
98531,COC1CCC2CC(C=C2C)C1,1,GDB ChEMBL
149420,[NH2+]=C1CC2CC(O)C(C2)N1,0,GDB ChEMBL
148919,COC1C(C(N)=O)[NH2+]CCC2C3COC(O3)C21,0,GDB ChEMBL
278857,CCC(O)C1CC(C(N)=[NH+]CCO)C2CN12,0,GDB ChEMBL
298188,CCC(O)(C(C[NH3+])N=C(N)CO)C(F)(F)F,0,GDB ChEMBL
325859,N#CC1CC2C(N1)C(O)CNS2(=O)=O,0,GDB ChEMBL
118890,COCC(C)NCc1cnon1,1,GDB ChEMBL
279971,CC([NH3+])CN(C)CC([NH3+])C(O)C(=O)[O-],0,GDB ChEMBL
389351,CS(=O)(=O)NC1=CC(C#N)[N-]C(=O)C1O,0,GDB ChEMBL
9901,CNC12C=C(C)C(=O)CC(O)C1[NH2+]C2,0,GDB ChEMBL
89394,[NH3+]CC12CC13OCC(NC2=O)C3O,0,GDB ChEMBL
147892,CCC1C=CCC2CCCC2C1O,0,GDB ChEMBL
205968,[NH3+]C1C2C(=O)OC(C2O)C1(O)CO,0,GDB ChEMBL
288651,C[NH2+]C(C)(C)CC1CC(CO)CC[NH2+]1,0,GDB ChEMBL
225198,NS(=O)(=O)CC(CO)C(O)CC1C[NH2+]1,0,GDB ChEMBL
195448,CCc1cc(C#N)cc(Cl)c1C,1,GDB ChEMBL
253637,C=CCc1n[nH]c2c1C(=O)CCC2,1,GDB ChEMBL
348829,COC1(C[NH3+])C(O)C1C(=O)[O-],1,GDB ChEMBL
389460,CNCS(=O)(=O)NC(CO)CC(N)=O,1,GDB ChEMBL
214003,CC1C(O)CCC([NH3+])C(O)C1[NH3+],0,GDB ChEMBL
300542,CCC(CC)C1CC(C)C(C(CC)C[NH3+])CO1,0,GDB ChEMBL
181156,CCC(C=O)c1c(CO)c(C)cc(Cl)c1NC,1,GDB ChEMBL
236705,C#CC(C)C1CN1c1cccc(CC)c1F,0,GDB ChEMBL
221339,CNC(CN(C)C=O)C(NC(N)=[NH2+])C(N)C#N,0,GDB ChEMBL
125629,COC1C(C)C2OC(CCO)C1C2C,0,GDB ChEMBL
42229,C[NH+]1CC(CC#N)C2C(O)C21,0,GDB ChEMBL
304408,COC(=O)C1NC(=O)N2C(CO)C12,0,GDB ChEMBL
208581,CCOC1C(CO)CC(C)C1O,0,GDB ChEMBL
177158,C#CC1(C)NC(=O)C(C)(O)C1CC[NH2+]C,0,GDB ChEMBL
1450,CCC1C(C)C2CCC1C1(C)CCCCC2C1,0,GDB ChEMBL
346854,CCN(C)C(=O)N(C(C)C)C(CO)CO,1,GDB ChEMBL
285585,CCOC(CC(=O)C(=O)[O-])C(N)=O,0,GDB ChEMBL
135779,CCCc1c(Cl)c(C)c(C)c(C)c1CC,1,GDB ChEMBL
130179,[NH3+]CC(CO)C(O)C(O)CS(=O)(=O)[O-],0,GDB ChEMBL
161795,CC1=CCCCC2CC(C)C(C)C2(C)C1,0,GDB ChEMBL
136426,CCCC12CC(C)CC=C1CC(C)(CC)C2,0,GDB ChEMBL
71465,Nc1nc(N2CC2CO)cc2nc(O)nn12,0,GDB ChEMBL
271613,C=C(C)C=CCC(CO)CC(C)C,1,GDB ChEMBL
208298,CC1CC[NH+](C(C)C2CN2C)C1,0,GDB ChEMBL
361153,CCCCC(C)CCC(C)(C)C#CC(C)C,0,GDB ChEMBL
94891,COC1OC2CC3CC1[NH+](C3)C2,0,GDB ChEMBL
386699,CC1=C(C)C(=O)OCCC1=O,1,GDB ChEMBL
89685,CCC1C=CC#CCCC=CC[NH+]1C,0,GDB ChEMBL
87478,CNc1nc(N)n2c(=[NH2+])n(C)cc(C(N)=O)c12,0,GDB ChEMBL
379361,C#Cc1ccc2[nH]nc(C(C)C)c2c1Br,1,GDB ChEMBL
347035,CCC(C)(CC1CNC(C)C(=O)N1)C(C)C,0,GDB ChEMBL
387263,CCC[NH+](C)C1COC(CC(C#N)CO)C1O,0,GDB ChEMBL
115952,CCC1CCC=CC1CN1CC1,1,GDB ChEMBL
252744,O=C([O-])C1[NH2+]C2COC(CO)C1(O)C2O,0,GDB ChEMBL
258741,[NH3+]CC1NC(=O)C2C(CO)C12c1nn[n-]n1,0,GDB ChEMBL
156221,C#CC[NH+]1CC2CC1C1(CC1)C2C(F)(F)F,0,GDB ChEMBL
4808,C#CC1C(C)CC2Cc3c(C)cccc3C21C,0,GDB ChEMBL
358628,C[NH2+]CC12CCC=C(C)CCC(C[NH2+]1)C2,0,GDB ChEMBL
212761,OCCC(O)c1cc[nH]c1,1,GDB ChEMBL
230223,CC(O)c1ccc(F)nc1,1,GDB ChEMBL
104707,Cc1ccc(I)c(CC[NH3+])c1CC1CC1,0,GDB ChEMBL
73239,CNCC(=O)OC1CC(O)C(=O)NC1=O,1,GDB ChEMBL
121946,COC1C(NC(N)=O)C(O)CC1C(C)(O)C#N,0,GDB ChEMBL
201400,NC(=O)C(C(=O)[O-])C1OC(CO)C1O,0,GDB ChEMBL
277553,NC(=[NH2+])CCC1(OCC[NH3+])CCNC(=[NH2+])CC1,0,GDB ChEMBL
38937,CC1=CCc2ccc(I)cc2C2(C)CC12,1,GDB ChEMBL
310986,[NH3+]C(CNC=Nc1nocc1[N+](=O)[O-])C(=O)[O-],1,GDB ChEMBL
304875,CC([NH3+])C1(C)OCC(O)C1C,0,GDB ChEMBL
246837,C=CC1C(OC)CC2CC2C1CC,1,GDB ChEMBL
86690,COC1C(=O)[N-]C(C#N)C1C=O,0,GDB ChEMBL
236700,CN1C(=O)OC2C(C([NH3+])CO)C21,0,GDB ChEMBL
40053,C=CC12C(O)C(CO)OC1C2[NH2+]C,0,GDB ChEMBL
94634,Cc1cccc2c1CC1(C)C=CC3CC3C21,0,GDB ChEMBL
227594,COC(C)CCC1(C2CC2)CC=CC=CC1,0,GDB ChEMBL
165983,CC(CC(F)(F)F)CC(C)(C)C([NH3+])C(C)(C)C,0,GDB ChEMBL
274616,C[NH2+]C1CC(C(C)C)C1C(C)O,0,GDB ChEMBL
23971,C#Cc1cc(N)cc(C(C)C(C)([NH3+])CO)c1C,0,GDB ChEMBL
349975,CCC1CC2C(O)C(O)CCC(C)C1C2O,0,GDB ChEMBL
233946,CC(=O)N1C(C)C1C(=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
201452,CC(CO)N1C(=O)OC2CC2(C)C1=O,1,GDB ChEMBL
91213,Cc1ccc(O)c(=O)c2sc(CC(C)O)cc12,0,GDB ChEMBL
193273,CCC1C=CC(C(F)(F)F)C(C)CCC1[NH3+],0,GDB ChEMBL
397906,CNC(=O)OCC(C)(C)[NH3+],1,GDB ChEMBL
194734,NC(=[NH2+])OC1CCC([NH3+])C(NC(N)=O)C1,0,GDB ChEMBL
290560,CC[NH+](C)C1C(=O)NC2CC2(C)C1O,0,GDB ChEMBL
348682,CS(=O)(=O)NCCC1OC2C([NH3+])C2C1O,0,GDB ChEMBL
186594,CC[NH+](C)C1COc2c1cc(Br)c(C)c2Br,0,GDB ChEMBL
150546,CC1=CCC=CCC=C(C)C1C,0,GDB ChEMBL
3784,CCCc1cc(C#N)[nH]n1,1,GDB ChEMBL
148800,CCC1(CO)CN=C(C#N)N(C)CCNC1=O,0,GDB ChEMBL
221696,C#CCC1=CCCCCCC(C)(C)C1,1,GDB ChEMBL
341323,CC(C)C(C)CCC#CCn1cccn1,1,GDB ChEMBL
184540,[NH3+]CC1CC([NH3+])C(C(O)C(=O)[O-])N1,0,GDB ChEMBL
387298,CC(C)C1(C[NH3+])CCC(=O)O1,1,GDB ChEMBL
267872,C#CCCC1([NH2+]C)COC1,0,GDB ChEMBL
201984,CCC1[NH2+]CC(OC)C2C(C)C12,0,GDB ChEMBL
141732,CCC1C(C)CCC2(C)CCC(C)C(CC)C12,0,GDB ChEMBL
193748,O=C([O-])CC1CCNC2CC1OC2=O,0,GDB ChEMBL
61718,C[NH2+]C1CC[NH+](C)CC2(CO2)C(C)(C)C1,0,GDB ChEMBL
379222,CCC1C(C)[NH2+]CC2OCCC[NH2+]C21,0,GDB ChEMBL
104507,CC(CCC(=O)[O-])OC1CC1(C[NH3+])CC#N,0,GDB ChEMBL
318554,N#CCCN1CCC(NC=[NH+]CC=O)CC1,0,GDB ChEMBL
11416,C#CC1([NH+](C)C(C)C)CC(C)C[NH2+]CC(C)C1,0,GDB ChEMBL
161043,CC(C)C1C2C=CC(C2)C1CO,1,GDB ChEMBL
23953,Cc1c2ccc(Br)c1CCCCCCC=C2,1,GDB ChEMBL
276151,CC1[NH+](C)CC2C(CO)CC3OC321,0,GDB ChEMBL
383014,CNC(NC)=[NH+]C1CC(=O)C(=O)C1,0,GDB ChEMBL
362872,COC12C[NH2+]C(C1)C(O)C2=O,0,GDB ChEMBL
62526,CC1CCC=C(C2=CCCC2C[NH+](C)C)C1,0,GDB ChEMBL
301411,CC1=C(C2CCCCC(C)(O)C2)CCC1,0,GDB ChEMBL
47576,CC1C=CCCC2CCC(O)CC12,1,GDB ChEMBL
43916,C#Cc1c(F)cc(C2(C)CCCCC2)cc1F,1,GDB ChEMBL
258696,CCc1cc(C)cc2c1C(C)(C(C)C)C=C2,1,GDB ChEMBL
29252,CC1CC2OC2CC[NH+]1C,0,GDB ChEMBL
262284,CCCCC1CCN(C=O)C1c1ncn(C)n1,0,GDB ChEMBL
230470,C#CCC(C)(OC)C(C)CCc1cc(C)c[nH]1,0,GDB ChEMBL
338564,CC1C2C([NH3+])COC12c1ccc(F)cc1,0,GDB ChEMBL
223992,C#CC1NCC(OC)CC1C(C)[NH2+]C,0,GDB ChEMBL
337426,C#CCN1C2CC(CCC)CC21C,0,GDB ChEMBL
160846,N#CCc1c[nH]c(=O)cc(C(=O)[O-])cncn1,0,GDB ChEMBL
217169,CC1CCCC2[NH2+]CCC(C1)C1(C)CCC21,0,GDB ChEMBL
153735,CC(C)(C#N)C1C(=O)OCCOC2CN1C2,1,GDB ChEMBL
379706,CCC(C)C1CC(C)(C)C(CCOC)=C1C,0,GDB ChEMBL
190316,N#CC(C(C[NH3+])CO)C1OC(=O)NC(=O)C1O,0,GDB ChEMBL
248660,CCOC(=O)CC1=CN(C)CCOC1=O,0,GDB ChEMBL
116069,C#CC(C(N)=[NH2+])C(C)CC(N)=O,0,GDB ChEMBL
77544,C#CC1OC(CO)(CCC)C[NH2+]CCOC1=O,0,GDB ChEMBL
280789,CCC12CC(C1)C(=O)C(C)(O)C(=O)N(C)C2,0,GDB ChEMBL
45986,CC(OC12C[NH2+]C(C1)C(CO)O2)C(=O)[O-],0,GDB ChEMBL
389654,CC(O)C1NCC(O)C(O)C1=O,1,GDB ChEMBL
119985,CC[NH+](C)C1C=CC2(O)CC2(C)C(O)C1,0,GDB ChEMBL
124787,COC(CC[NH3+])C(N)c1cc([O-])no1,0,GDB ChEMBL
42251,CC1C2CC(C)(C)CC1CC1(CC1)C2,0,GDB ChEMBL
346884,CCCC(COC)c1cscc1CCC(C)[NH3+],0,GDB ChEMBL
304107,CC12CCN1C(=O)C(=O)C2CO,0,GDB ChEMBL
375134,C[NH2+]CC1CCN2CC2CN1,0,GDB ChEMBL
259546,CN(C)C(=O)C(C)(C(N)=O)C(=O)N(C)C,1,GDB ChEMBL
124223,Cc1c(N)ccc(C2CCOC2C(N)=O)c1F,1,GDB ChEMBL
217032,N#CCNC12COC(=O)C(C(O)C1)C2O,0,GDB ChEMBL
60971,CCc1nc(O)cc(F)c1C,1,GDB ChEMBL
372122,[NH2+]=C1COC2(CCC2)CC(C[NH3+])CN1,0,GDB ChEMBL
247509,CC1NC(=O)C23CC(O)C1C2(C)C3,0,GDB ChEMBL
99662,CC(C)(COc1nnsc1NC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
225064,NC(=[NH2+])Nc1cc(C=O)c(=O)on1,0,GDB ChEMBL
88194,CCC=CCCC(O)(CC)CCC,1,GDB ChEMBL
307966,Cc1ccccc1C1(C)CCC1(C)C,1,GDB ChEMBL
318162,CC#CCC1CC[NH2+]CC1,0,GDB ChEMBL
385487,CC1CC(C)(CCC[NH2+]C(C)(C)C)NC(=O)O1,0,GDB ChEMBL
310303,CCC1C([NH3+])CCC1(O)C[NH3+],0,GDB ChEMBL
296352,Oc1cncn1C1CCCCC1,0,GDB ChEMBL
218338,C#CC1CC(C)(C)OC1C(C#N)(C[NH3+])COC,0,GDB ChEMBL
165217,CCOCc1cc(Br)cc(C)c1CC(C)[NH2+]C,0,GDB ChEMBL
283283,CCCCC1CCC1(C)c1ccccc1F,1,GDB ChEMBL
83012,CC(C)C([NH2+]C(C)(C)C)C1=CCCC1,0,GDB ChEMBL
65619,CCC(C(C)=O)C(O)C(C)(CO)[NH+](C)C,0,GDB ChEMBL
197036,C#CC(CC)C(C)CC(C)CC=C,0,GDB ChEMBL
362837,[NH3+]CC(NC=O)C1(O)CC1,0,GDB ChEMBL
195541,COC1COC(=O)OC1C[NH3+],0,GDB ChEMBL
93403,Cc1cc2c(n1CCO)NC1CC21,0,GDB ChEMBL
85029,[NH3+]C1CC(CC(=O)[O-])C2C(CNC=O)[NH2+]C12,0,GDB ChEMBL
214448,CCC1(C)CC2CC1C(C)CCC2(C)O,0,GDB ChEMBL
177292,CCCN1CC2(O)C(OC)C2C1C#N,0,GDB ChEMBL
222165,C#Cc1ncc(C=O)cn1,1,GDB ChEMBL
40062,COC(CO)C[NH2+]CC1CCC(N)=[NH+]C1CO,0,GDB ChEMBL
163901,CC1C[NH+](C)CC(C(C)C[NH3+])C(C)NC1C[NH3+],0,GDB ChEMBL
331185,COC1(C)C(C)CC(C)C1O,1,GDB ChEMBL
174642,Oc1[nH]ncc1OCCC1CCC[NH2+]CCO1,0,GDB ChEMBL
210258,O=C(CO)NC1CC2OCC12,0,GDB ChEMBL
391676,CCC12CCCCCC1C1CC1C2,0,GDB ChEMBL
298059,CCc1noc2c1CC1OC(=O)NC1C2C,0,GDB ChEMBL
6085,CCC1COC2CC(O)C(C(N)=[NH2+])C2C[NH2+]1,0,GDB ChEMBL
87506,CC1(C2CCOC2=O)CCCC1[NH3+],0,GDB ChEMBL
76825,CC(C)(CS(C)(=O)=O)NC(N)=[NH2+],0,GDB ChEMBL
121710,CC([NH3+])CC1(C#N)C(CCO)C2(C)CN1C2,0,GDB ChEMBL
216506,CC(C)C1NC(=[NH2+])CN(C=O)C1=O,0,GDB ChEMBL
257441,C#CCC1C=CCCCCC(CC)C1,0,GDB ChEMBL
20529,CCc1c(OS(N)(=O)=O)ccnc1C(N)=[NH2+],0,GDB ChEMBL
161923,O=CC1CC1[NH+]1CC=CC1,0,GDB ChEMBL
19616,CC1CC2C3CC1(C)CNC(=O)C23,0,GDB ChEMBL
97090,C#CC1C(C)C(O)C(OCC)C1(C)C,0,GDB ChEMBL
358550,CCN1CC2C([NH3+])C1C(N)C2C(CC[NH3+])[NH2+]C,0,GDB ChEMBL
35741,Cc1cnc(Cc2ccncc2F)n1C,1,GDB ChEMBL
44554,NC1=NC(C([NH3+])CC(=O)[O-])C(=O)N1,0,GDB ChEMBL
374044,C#CC1=Cc2cc(Cl)ccc2CC2CC2C1,1,GDB ChEMBL
57290,CC#CCCC(C)C(C)OC,1,GDB ChEMBL
266457,CCCC1CC(C)C(C(C)O)C1(C#N)CC,0,GDB ChEMBL
126599,NC(=[NH2+])c1ccsc1CC(O)(CO)CCC=O,0,GDB ChEMBL
111573,CCC(C)(CC(C)O)Oc1cc(O)ncc1C,1,GDB ChEMBL
99586,CN1CCC2CCC[NH+]2C(C(CO)CO)C1,0,GDB ChEMBL
26565,C[NH2+]CC(C=O)OC(=O)CO,1,GDB ChEMBL
200756,CC1(C)CC2CC2C2C(C(=O)[O-])C21,0,GDB ChEMBL
34154,C[NH2+]C1C(C)N2CC(CO)C1(O)C2CCOC,0,GDB ChEMBL
51079,C[NH2+]CC#Cc1ccoc1C([NH3+])CO,0,GDB ChEMBL
169367,C#CC1CC(CC)(CC)CC1C#C,0,GDB ChEMBL
181106,CC(C)CC1(C)CCC2OC2CC(=O)C1,0,GDB ChEMBL
280790,CCCCc1c(Br)cc(CNC(C)=[NH2+])nc1Br,0,GDB ChEMBL
82197,Cc1cncc(C[NH3+])c1O,0,GDB ChEMBL
384239,CCCC#CCC(C)OC(C=O)CO,1,GDB ChEMBL
274091,CC(OCC(=O)[O-])C(O)C([NH3+])C(N)CC#N,0,GDB ChEMBL
153697,N=C1CN(C(=O)CC(N)=[NH2+])CC(CCO)O1,0,GDB ChEMBL
345486,CC1[NH2+]CC2OC1C(O)C2[NH+]=C(N)N,0,GDB ChEMBL
291928,C#CC1(C#C)OC(=N)CCC[NH+](C)CC1NC,0,GDB ChEMBL
127777,CN1CC2C(=O)C1C(O)C2O,0,GDB ChEMBL
225434,CCC1CCC(C(C)C)C2C(C)CC(CC)C12,0,GDB ChEMBL
216575,NC1=NCCC(C[NH3+])NC(=O)C1O,0,GDB ChEMBL
273845,CCC(C)C1CN2C(COC)C2C1(C)[NH3+],0,GDB ChEMBL
322936,CCNC1(C(N)=O)C(C(N)=O)C1(N)CO,0,GDB ChEMBL
344251,CN1CC2(N)C(C#N)OC(=O)CC(O)C12,0,GDB ChEMBL
300199,COC1CC([NH3+])COCC(O)C([NH3+])C1,0,GDB ChEMBL
17314,CNC(=O)CC1(O)[C-](C=O)C1OC(N)=O,0,GDB ChEMBL
316428,C#CC(CC)c1cc(CCO)nn1CCO,1,GDB ChEMBL
153696,C#CC(=O)N(CCO)CCCC,1,GDB ChEMBL
119945,CCCC1(CC2C[NH2+]C2)CC1,0,GDB ChEMBL
130823,CCN(C(=O)Cn1ncnn1)C(C)C,1,GDB ChEMBL
370238,CCCCC1C(CC)CC2CC(C)C1C2CC,0,GDB ChEMBL
81578,COC1CCC2CC(CC1O)CC2(C)[NH3+],0,GDB ChEMBL
348408,CNC(=O)Oc1nc(N)sc1CO,1,GDB ChEMBL
193805,COCC(=O)c1sc(N)nc1CCC#N,1,GDB ChEMBL
255456,COC(C(O)CC[NH3+])C(O)(C[NH3+])C([NH3+])CO,0,GDB ChEMBL
47688,CC1C[NH2+]CCC2C(C1(C)O)C2(C)CO,0,GDB ChEMBL
27912,CCC1[NH2+]Cc2c1ncc1c2NC(C)CN1,0,GDB ChEMBL
243949,O=C1C=C(CC2CC2)C2(CCCC2)C1,1,GDB ChEMBL
40915,CCc1cccc(C(C)C)occ(C)c1,0,GDB ChEMBL
113619,CCC1Nc2c(C(N)=O)ccnc2CS1(=O)=O,0,GDB ChEMBL
216461,N#Cc1cnc(N)scnc(O)c1N,0,GDB ChEMBL
227616,CC1CCCC(C)C(C)C2C(C)CCCC2C1,0,GDB ChEMBL
318786,N=c1cc[nH]nc1CCNC(=O)C(=O)[O-],0,GDB ChEMBL
235983,CCCC(O)CCOS(=O)(=O)NC1CC([NH3+])C1,0,GDB ChEMBL
25112,C[NH+]=C(N)C1CNC(=O)CC1OC,0,GDB ChEMBL
279101,CC1[NH2+]CCC(O)C(=O)OCC1O,0,GDB ChEMBL
165918,C#CC1C(O)C(CO)C(=O)NC(=O)CN1C=O,0,GDB ChEMBL
38912,CC(=[NH2+])N1C2CC(=O)CC1CN(C)C2,0,GDB ChEMBL
353559,COCC(C)C(C[NH3+])C(N)=[NH2+],0,GDB ChEMBL
398923,C[NH2+]C1(c2ccoc2)CC1,0,GDB ChEMBL
51814,C#CCC1C=CC(C)(OC(C)=O)C1,1,GDB ChEMBL
142566,CCOC1CC(=O)N(C(=O)OCCO)C(=O)O1,0,GDB ChEMBL
358408,CCC(C)C(O)CCC1CC(OC)C(C)C1C,0,GDB ChEMBL
167341,C[NH2+]C1C(O)C(O)C(NC=[NH2+])C1NC(=O)OC,0,GDB ChEMBL
24727,CC(=[NH2+])NC1CNC(CO)C(C(=O)[O-])OC1=O,0,GDB ChEMBL
81426,C[NH2+]C1CC([NH3+])CC(N)(C#CCO)C1,0,GDB ChEMBL
319844,CC(=O)NCC1C([NH3+])CC1S(N)(=O)=O,0,GDB ChEMBL
133173,C#CC1C2CCC(CC)[NH+](C)CC12,0,GDB ChEMBL
359089,CCCC1C2C(C[NH+]2C)CC1(C)CCC,0,GDB ChEMBL
251408,N#CC12CCCCCCC(O)C1C2N,0,GDB ChEMBL
199483,CC1CCC2C(C)OCC[NH2+]C(C)C12,0,GDB ChEMBL
177067,CCC1([NH3+])C2OC(CO)C(OC)C21,0,GDB ChEMBL
370317,O=C1Cc2ncnc3c2C(C1)[NH2+]CC3,0,GDB ChEMBL
255476,O=C1CN(CCO)CC1C1CC=CC1,0,GDB ChEMBL
307488,CC1C[NH+]=C(N)NCCNC(=O)c2cc[nH]c21,0,GDB ChEMBL
379120,CCC(C)(O)C(O)C(F)(F)F,1,GDB ChEMBL
133009,C[NH+]=c1[nH]ccc(CO)c1C(CO)C(=O)OC,0,GDB ChEMBL
67818,CCCC(C#N)CC1(C)CCO1,1,GDB ChEMBL
2095,C#CC(C#C)(CC(C)C)[NH+](C)CCC,0,GDB ChEMBL
243891,Cc1[nH]c(C(=N)OC(=O)CN)cc1CO,1,GDB ChEMBL
253576,CC1CCC(Oc2c[nH]nc2CC(=O)[O-])=NC1,0,GDB ChEMBL
331161,COC1CC2C(C1C)C2(C)C#N,1,GDB ChEMBL
140151,CCC1(C(=CCCO)C(C)=O)CC1,1,GDB ChEMBL
383714,C#CC(CC#N)C1CCCC1,1,GDB ChEMBL
304646,COC1CC([NH3+])CNC1C(O)C1CO1,0,GDB ChEMBL
358608,CCC1CC(CC(N)=O)COC2CC1C(C)O2,0,GDB ChEMBL
265247,O=Cc1cc2c(cc1F)C1CCC1CC2,1,GDB ChEMBL
390530,CNC(=[NH2+])Oc1nc(NCCO)cc(C)c1C,0,GDB ChEMBL
50250,CCN1CC(C(N)=O)COC1=O,1,GDB ChEMBL
379877,CC1(O)C2C[NH2+]C3C2NC(=O)C31,0,GDB ChEMBL
280999,CCCC1C(C)C(C)(CC)CC2CCCC21C,0,GDB ChEMBL
137432,CCC(O)(CC(C)C)CC1CC1,1,GDB ChEMBL
24473,CCC(=O)N1CC2(N)C(=O)OCC2OCC1=N,0,GDB ChEMBL
77012,CC1OC2CC1(C)CCCC2[NH2+]C1CCCC1,0,GDB ChEMBL
22016,CN1CCC2(CC2)CNC1=[NH2+],0,GDB ChEMBL
41055,NC(=O)CNCC1NC(=[NH2+])OC1C=O,0,GDB ChEMBL
358217,CCCC1[NH2+]C2C3CC1C(C3)C2C,0,GDB ChEMBL
235720,CC[NH+](CC)CCCc1cc(C)c(I)c(N)c1,0,GDB ChEMBL
100674,COC(=O)C1C(OC)OC2(C)CN1C2,0,GDB ChEMBL
307607,COc1c(O)ccnc1C(=O)c1n[n-]c(=N)o1,0,GDB ChEMBL
81050,C#CCC[NH2+]CCC(C)CC#N,0,GDB ChEMBL
174848,CN1CC(O)(C2CCCO2)C1,1,GDB ChEMBL
48516,CC(C)[NH+](C)Cc1[nH]ccc1C1(N)CC[NH2+]C1,0,GDB ChEMBL
317561,COc1ccoc1COCC[NH3+],1,GDB ChEMBL
344370,CCCC1(CC)CC1C[NH2+]C,0,GDB ChEMBL
157451,CC1NC(=O)OC2(C[NH3+])C([NH3+])C12C(=O)[O-],0,GDB ChEMBL
29630,COC1(CC(N)=O)CC2C(=O)OC1C2O,0,GDB ChEMBL
252549,Cc1cccc(O)c1CC1=CCCC1,1,GDB ChEMBL
61729,CC12CC([NH3+])C1N=C(N)N(CC(=O)[O-])C2=O,0,GDB ChEMBL
126638,CCC([NH3+])(CCO)C(O)COS(N)(=O)=O,0,GDB ChEMBL
313744,C=CC(=C)C(COC)COCC[NH3+],0,GDB ChEMBL
255123,CC1C(C(C[NH3+])C[NH3+])C(N(C)C)C[NH+]1C,0,GDB ChEMBL
263252,CCC(C)[NH+]1CC=CCC([NH3+])C1,0,GDB ChEMBL
141828,CC1CC(C(F)(F)F)CC2(C)CCN1CC2=O,0,GDB ChEMBL
230405,C#CC(C#C)Cc1ccc(Cl)c(C)c1CC,0,GDB ChEMBL
94602,CC1(CCCCO)OC2CC2C1O,0,GDB ChEMBL
207327,C=C(C#CCOCC)C(O)CCO,0,GDB ChEMBL
130200,CCCC#CC(C)C(CC)CC(F)(F)F,1,GDB ChEMBL
215327,CCC1COCCC1C(C=O)CCC(C)C,1,GDB ChEMBL
18689,CCC(CC)(C1=CCC(OC)CC1)C1CC1,0,GDB ChEMBL
151800,CCCC(C(=O)[O-])C1CS(=O)(=O)N1,0,GDB ChEMBL
39916,CC1CCCC(O)C2CC2C1C,0,GDB ChEMBL
22855,CC1OC2C(NC(=O)CNS2(=O)=O)C1O,0,GDB ChEMBL
148857,CC#CC(CC)c1cc(Cl)c(C)cc1O,0,GDB ChEMBL
259544,CNC(C)C(=O)c1cn(C(N)=O)nc1N,1,GDB ChEMBL
300122,COC1(C)CCC2CC(C)(C)CC[NH2+]C2C1N,0,GDB ChEMBL
246424,CNc1nn2c(N)nc(NCC[NH3+])c2nc1N,0,GDB ChEMBL
383776,CNc1nn2nccc2cc1CC(C)[NH3+],0,GDB ChEMBL
234495,C#CC1=C(c2cccc(Br)c2)C(C)CC1,1,GDB ChEMBL
28363,COC(=O)C(C)C1OCC(N)C(C#N)N=C1N,0,GDB ChEMBL
39909,CCc1c2c(cc3c1CCCCC3)C=CC2,1,GDB ChEMBL
135830,COC1CC2NC1C([NH3+])CC2[NH3+],0,GDB ChEMBL
271807,C=CC1=CC(C(N)=O)[NH2+]CC1CC,0,GDB ChEMBL
144534,C[NH+]1CCCC1CC(C)(O)C1(C)CC1,0,GDB ChEMBL
18364,CN=C(C(=O)[O-])N(C(N)=[NH2+])C1CCCNC1=O,0,GDB ChEMBL
189994,C#CC1C(C)C12Cc1ccc(Br)cc1C2,0,GDB ChEMBL
348439,C#CC(C#C)CC1(CCC)CCC1,1,GDB ChEMBL
362182,C#Cc1cnc(Cl)cc1NC(C)CO,1,GDB ChEMBL
263173,CC1OC(=O)C(N)(C(=O)[O-])C1C(O)C([NH3+])CN,0,GDB ChEMBL
263304,CNC(=O)CC1C=CC2(O)C(C)CC(C)C12,0,GDB ChEMBL
156720,CNC(=O)CC([NH3+])CC(O)c1nnn[n-]1,0,GDB ChEMBL
241127,CC#CCNc1nc(C)cc(CC)c1F,1,GDB ChEMBL
349659,CCCC1C=C(C)CC1(CCC)CCC,1,GDB ChEMBL
160833,COC1CC=C(C)C1C(C)=O,1,GDB ChEMBL
245812,C[NH+]1CC2C3CCC1C2C(=O)C3,0,GDB ChEMBL
271132,CC1=CCCCCCC(C)(C)CCCC1,1,GDB ChEMBL
395935,CC(CO)(OC(=O)COC(N)=[NH2+])C1CCC[NH2+]1,0,GDB ChEMBL
210397,[NH2+]=CN1CC(C(O)C(=O)[O-])NC1=[NH2+],0,GDB ChEMBL
159908,CC(=O)C(=O)CC(C)C(=O)N1CC[NH2+]CC1,0,GDB ChEMBL
169401,[NH3+]C1CC(C2CC=CCCC2)NC1=O,0,GDB ChEMBL
192548,[NH3+]CC1CC2OC(CC1O)OC2=O,0,GDB ChEMBL
126578,CCC1C=CC(C)C2CCC12,0,GDB ChEMBL
293853,CC(O)C1[NH2+]C2C(=O)NC(=O)[N-]C1C2N,0,GDB ChEMBL
359094,CC1=CCCOCC2(C)CC(CC1)C2,0,GDB ChEMBL
42266,CCC1=CC2CC2C1c1cc(Br)ccc1C,1,GDB ChEMBL
3978,CC(C)[NH+]1CCC2CC=CC21,0,GDB ChEMBL
195321,C[NH2+]CCCC(=N)NC(C)=[NH2+],0,GDB ChEMBL
191680,NC(=O)Cc1nocc1S(N)(=O)=O,1,GDB ChEMBL
49152,COC(=O)C(C)C1CCC(C2NCC2=O)O1,0,GDB ChEMBL
237967,O=C(C1CN1)N1CCC2(CC2)C1,1,GDB ChEMBL
365726,Cc1nc(OC(=O)C(O)C([NH3+])CO)cs1,1,GDB ChEMBL
368518,CC1=CC2C3CC(O)C2C1C3=O,0,GDB ChEMBL
17536,O=Cc1c(Br)cnn2cc(C(=O)[O-])cc12,0,GDB ChEMBL
288641,CCC1(C)C2CCCC(C)C1CC=C2C,0,GDB ChEMBL
73283,CC(=NO)C(CC(N)=O)C(=O)N(C)CCO,0,GDB ChEMBL
23961,CCOCCn1cnc(N)n1,1,GDB ChEMBL
80479,CC(C)n1cc2c(c1N)OCC(=O)N2,1,GDB ChEMBL
339956,N#CC(O)C1(CO)C(C(N)=O)N1C(N)=O,0,GDB ChEMBL
374009,NC(=[NH2+])N(CC(N)CO)C(N)=[NH2+],0,GDB ChEMBL
195555,C#CC(C(C)C)C1(CCC)CC(=O)C=C1C,0,GDB ChEMBL
68672,CCC(O)CC1CC1C1CC1CC,0,GDB ChEMBL
29913,Cc1[nH+]cc2cc(C3CC3)c(C=O)c(N)n12,0,GDB ChEMBL
298236,CC1C(C)C2[NH2+]C1C1OC21,0,GDB ChEMBL
358836,[NH3+]CC1CCC2CC1(O)CCO2,0,GDB ChEMBL
47400,Cc1nc(=O)c2c(N)c(N)nc(C(=O)[O-])c2[nH]1,0,GDB ChEMBL
77864,C#CCC(C#C)(CC(C)C)OC,1,GDB ChEMBL
379397,CNC(=O)C#CC12OC(=O)NC(C)C1C2O,0,GDB ChEMBL
21453,C[NH2+]CC(O)C1CC(O)COC(C)CNC1=O,0,GDB ChEMBL
141855,C[NH+](C)CC#CCC(C)(C)C([NH3+])(CO)CO,0,GDB ChEMBL
45722,CC1CC2CC(O)C3C(C)CC(O)C3[NH+]2C1,0,GDB ChEMBL
340518,N=C(NCCO)C(=O)c1nc(CO)cnc1N,0,GDB ChEMBL
247200,C#CCOCC1Cc2cc(C(C)C)cn2C1,1,GDB ChEMBL
18800,CCc1ccc(C(C)NCC[NH3+])o1,1,GDB ChEMBL
170445,CC1C[NH+](C)C2C([NH3+])CC=CCC(CO)C12,0,GDB ChEMBL
259652,CCC1C=CC(C)(C)CC1(C)CC[NH2+]C,0,GDB ChEMBL
62531,COC(CO)(CO)C1CCC(O)CC1(C)C#N,0,GDB ChEMBL
40013,CCCC(OC)C(C)(C=O)[NH2+]C(C)C,0,GDB ChEMBL
342569,CC1(O)CC([NH3+])CC(O)C12CO2,0,GDB ChEMBL
57298,CC1C(NC=O)C(CO)CC2(O)CC([NH3+])CC12,0,GDB ChEMBL
350660,CCC1=CCC(C)CCc2ccc(Br)cc21,0,GDB ChEMBL
77550,[NH3+]CC(O)(C[NH3+])CO,0,GDB ChEMBL
221690,O=C([O-])C1[NH2+]C2C3OC2C13,0,GDB ChEMBL
87154,Cc1cc2c(F)c(c1)CC1CCC(CC2)CC1,1,GDB ChEMBL
133935,COC(C)CNc1[nH]nc(O)c1C(=O)[O-],0,GDB ChEMBL
126903,Cc1cc(Cl)c2c(c1C)C1(C)CCCC1N2C,1,GDB ChEMBL
114358,CC[NH2+]C1CC2CC=CC1OC2C#N,0,GDB ChEMBL
61996,C#CCCC1(O)C(C)C1[NH2+]CC,0,GDB ChEMBL
28214,CCNC1C(=O)CCCC2C(C)OC1C2[NH2+]C,0,GDB ChEMBL
13159,C#CCC1CC(C)CC[NH2+]CC2C(N)CC[NH+]12,0,GDB ChEMBL
66158,CC1CC(C)C(CO)=CCCO1,0,GDB ChEMBL
47763,N#CC(NC(=O)C(=O)[O-])C1OC1C(=O)[O-],0,GDB ChEMBL
120515,CC(CO)C1CCCC1C=O,1,GDB ChEMBL
337197,C#CCOC(C)C1=CCCCC1,1,GDB ChEMBL
319808,CC1(C(=O)[O-])CC(O)C(C(N)=O)[NH2+]1,0,GDB ChEMBL
305952,C[NH2+]C1CC2(C[NH+](C)C2)C(C)C1C(C)C,0,GDB ChEMBL
115299,CCC1CCC(C)C1C(C)CCC#N,1,GDB ChEMBL
274854,N#Cc1ccc(CC(N)=O)c(OC(N)=[NH2+])n1,0,GDB ChEMBL
290129,CC(=O)CN(C)C(COC(C)=O)=NCC=O,0,GDB ChEMBL
258252,CC(=O)NC(=O)OC(C[NH3+])=NCC1(O)CC1,0,GDB ChEMBL
20543,O=C1CNC(c2ncon2)=NCCN1,0,GDB ChEMBL
358166,N#CCCc1cc(=N)c2cc(Cl)cc(N)c2[nH]1,0,GDB ChEMBL
201672,C#CC1CC2C(C(C)O)CN1C2C[NH3+],0,GDB ChEMBL
316144,CN1C2CC(O)C(C(N)=O)C21C(=O)[O-],0,GDB ChEMBL
51031,CCC1CNC(C#N)C(C)(C)C1,0,GDB ChEMBL
34264,CC(=O)NCCn1cnc2nocc21,1,GDB ChEMBL
75445,Cc1ncc(F)c2c1NC1(CC[NH2+]C(C)C1)C2,0,GDB ChEMBL
157722,CN=CN(C=[NH+]C)CCCC(C)=O,0,GDB ChEMBL
33196,CC1=CC([NH2+]C2(C)CC2)CCCC1,0,GDB ChEMBL
202821,C[NH+]1CCCCCC([NH3+])C1,0,GDB ChEMBL
246783,COCCN(C)C(=N)N(C=O)C=O,1,GDB ChEMBL
26555,CCC1(C)CCC2([NH3+])C=CCC1NC2=O,0,GDB ChEMBL
252681,CCCC[NH+](CCC)CC1CCC(C)(CO)C1,0,GDB ChEMBL
394353,N#CC1NC(C#N)(C(N)=O)CC1O,0,GDB ChEMBL
238183,CCOC(=O)C1CC2CN21,1,GDB ChEMBL
29489,CCCS(=O)(=O)[N-]C(=O)C(C)O,0,GDB ChEMBL
348591,Nc1ccc(Cl)nc1CN1CCC1=[NH2+],0,GDB ChEMBL
180849,CNC1(C([NH3+])CC[NH3+])COC1C(=O)[O-],0,GDB ChEMBL
307993,CCC(C)C(O)C12C[NH2+]C(CC1COC)C2=O,0,GDB ChEMBL
308219,C#CCNC(=O)CC1CCCCCCC(C)C1,0,GDB ChEMBL
354611,N#CCNc1cc(=O)nc(C[NH3+])nc1C(=O)[O-],0,GDB ChEMBL
281007,C#CCc1c(C)c2c(c(O)c1F)CCCCC2,1,GDB ChEMBL
84573,CN1CC(NC2=[NH+]CCC2)C1,0,GDB ChEMBL
21499,CN1C(=O)C2C(N)C1C2[NH3+],0,GDB ChEMBL
342603,C#CCCCCC(C)(CC(=O)C(O)CC)OC,1,GDB ChEMBL
80449,COC1C2NC(C#N)C1OC2CO,0,GDB ChEMBL
304437,C[NH+]1CCCC1C1=CC2OC2C1,0,GDB ChEMBL
374000,O=C1NC(=O)C23NS(=O)(=O)CCC2C3O1,0,GDB ChEMBL
336016,[NH3+]C1C2C(O)C3CC(C(=O)[O-])(CO3)C12,0,GDB ChEMBL
171844,CCCOC(=O)NC(=O)CN=C(N)C(=O)C#N,0,GDB ChEMBL
365792,C[NH2+]CC(C[NH3+])OC(C)C1(NC(C)=O)CC1,0,GDB ChEMBL
4970,[NH3+]Cc1c[nH]nc1C(O)C[NH3+],0,GDB ChEMBL
163369,COC1CC(C[NH3+])C(N)C1(C)C#N,0,GDB ChEMBL
362975,CCOc1c(C(N)=[NH2+])ncccc1=O,0,GDB ChEMBL
263499,CCCc1cc(C(N)=[NH2+])c(OC)cc1F,0,GDB ChEMBL
387101,CC(C)CC1CCCc2cc(F)ccc21,1,GDB ChEMBL
304394,CC1C(=O)OCC(C([NH3+])C(O)CCCO)C1[NH3+],0,GDB ChEMBL
296653,Cc1nn2c(c1C[NH3+])C(=O)OCCC2,1,GDB ChEMBL
16522,CCC(=O)NC(C)C1C2CC([NH3+])C1(C[NH3+])C2,0,GDB ChEMBL
164690,CN=C(OC1COC(C)C1)c1cc(C)n(C)c1,1,GDB ChEMBL
148772,[NH3+]C1CCN2C1C2C(O)CC(=O)[O-],0,GDB ChEMBL
356535,CNC(=O)CC1(C(C)C)C=CC=C1,0,GDB ChEMBL
248634,C[NH+]1CCCC2C[NH+](CC1)C2,0,GDB ChEMBL
372730,CCC(=O)N1CCC(C)(C)CC=C1C(N)=O,0,GDB ChEMBL
255108,CCn1nnc2c(C)c(NC)c(C(C)O)cc21,1,GDB ChEMBL
2338,C[NH+]1CC(C)(CCO)C2CCCC(O)C21,0,GDB ChEMBL
142902,Cc1ccc(=O)cc2c1CCC2,1,GDB ChEMBL
308133,C#Cc1ccc(C#C)c(CCC)c1C,1,GDB ChEMBL
210414,Cn1nc(CC[NH3+])nc1-c1ccnc(N)n1,0,GDB ChEMBL
146893,N#CCC1CC2(C(=O)[O-])NC2C(O)C1O,0,GDB ChEMBL
172784,C#CC1(O)C(=O)C(CCOC)C1OC,0,GDB ChEMBL
148840,N#CC12[N-]C(=O)C([NH3+])CC(O)C1(O)C2N,0,GDB ChEMBL
274584,CC1C(C#N)C(C)C2(CCCCC(O)C2)[NH+]1C,0,GDB ChEMBL
11006,COCC1([NH3+])CC(C)N(c2nc(N)cs2)C1,0,GDB ChEMBL
221955,CCC(CO)[NH+](C)CC12CN(C1)C(C)(C)C2,0,GDB ChEMBL
141909,Nc1nc(NCC[NH3+])c2ccoc2c1C(=O)[O-],0,GDB ChEMBL
51815,CC1CC=CC(C)(C)CCCC#CCC1,1,GDB ChEMBL
165635,CC1c2c(Cl)cccc2C2CCCOCC12,0,GDB ChEMBL
285730,C#CCC#Cc1cc(C#C)nc(CC)c1,1,GDB ChEMBL
9980,CCOC1(C2CC2)C2C(C)CC(C)C21,0,GDB ChEMBL
358941,CC1CC2c3ccn(C)c3CC2[NH+]1C,0,GDB ChEMBL
283435,CC(=O)CC1CS(=O)(=O)NCC2(CC2)C[NH2+]1,0,GDB ChEMBL
386520,C#Cc1ccc[nH]c(C)ccc1,0,GDB ChEMBL
87529,CCCCC1C2CC(C)C1(C)CC1CCC2C1,0,GDB ChEMBL
21473,NC(=O)COCC1COCOC1,1,GDB ChEMBL
252586,C[NH+]1C2CC2C2(CC2)C2CC21,0,GDB ChEMBL
53298,CC(=O)C(CO)C1C[NH+]=C(N)C1,0,GDB ChEMBL
67820,O=CN1CC=C2c3c(F)cccc3CCC21,1,GDB ChEMBL
175687,CC(C)OC(=[NH2+])NCC[N-]C(=O)C(=O)C#N,0,GDB ChEMBL
268166,C#CCc1cccc(C(C(C)C)C(C)(C)C)c1,1,GDB ChEMBL
245804,CCCC(C)C1(C(C)C)CC2CCCCC2C1,0,GDB ChEMBL
307524,CC#CCCC(CCC)C(C)CC,1,GDB ChEMBL
70969,CCC1CCCC2=CCC(C3CC3)C2C1O,0,GDB ChEMBL
261176,CC[NH2+]C1C2CC(C#N)N(C2)CC1OC(C)C,0,GDB ChEMBL
217359,Cc1ccc(F)c(C2CC3C4CCC2C43)c1,1,GDB ChEMBL
75404,CCCC(C1(C)CCCCC1)C(C)(C)C(C)C,0,GDB ChEMBL
277926,CC1COCC([NH3+])CC1NC(N)=O,0,GDB ChEMBL
330334,Cc1ccc(NC(=O)C[NH3+])o1,1,GDB ChEMBL
234373,C#CCC1[NH2+]CC2CC1C(NC(C)=O)C2C[NH3+],0,GDB ChEMBL
118723,COCC1CC=C2CCC2NC1=O,0,GDB ChEMBL
398792,CC1C=CC2CCCCC(C)(C)C1C2,0,GDB ChEMBL
360999,C[NH2+]C(CCNC(N)=O)C(OC)C(N)=[NH2+],0,GDB ChEMBL
313749,OC1C=CC2C1C[NH+]1CCNCC21,0,GDB ChEMBL
238596,COC(=O)C1C2C[NH2+]C1C(=O)C(=O)C2,0,GDB ChEMBL
254929,C#CC1=CCC(c2csc(C)c2)CCCC1,1,GDB ChEMBL
160982,CCC1CN(CCCC(F)(F)F)C(C#N)=N1,1,GDB ChEMBL
258263,O=C1C(O)C(O)C(O)CNC(CO)C1CCO,0,GDB ChEMBL
24270,[O-]N=C(CO)c1cc(O)cc2n[nH]cc12,0,GDB ChEMBL
338383,NC(=[NH2+])c1[n-]nc2c(C(=O)CO)cc(O)cc12,0,GDB ChEMBL
62081,NC1C2CC(C(C(=O)[O-])NC(=O)N2)C1[NH3+],0,GDB ChEMBL
379692,CNc1ccc(F)c(C#CCCOC)c1C,1,GDB ChEMBL
117360,CC1(C)C(=O)CC2OC(C1=O)C2CC(=O)[O-],0,GDB ChEMBL
44131,O=C([O-])CN1CC2(CO)OCC(O2)C1=O,1,GDB ChEMBL
356807,CC1CN(C)C(=[NH+]CCOS(N)(=O)=O)N1,0,GDB ChEMBL
1942,O=C1NC2=NC1CNc1c[nH]c(=O)cc1N2,0,GDB ChEMBL
277944,CC1CCOC2CCCC1OCCOC(=O)C2,0,GDB ChEMBL
337068,C[NH2+]C(C(=O)[O-])C(CO)(C(=O)C=O)S(C)(=O)=O,0,GDB ChEMBL
320474,COc1cc(C#N)c(F)c(C)n1,1,GDB ChEMBL
216465,C[NH2+]Cc1cc(O)cncc(N)co1,0,GDB ChEMBL
151251,Cn1cnc(=N)c(S(N)(=O)=O)c1,1,GDB ChEMBL
389459,C#CC[NH2+]Cc1cc(C)c(C)cc1F,0,GDB ChEMBL
116365,N=C1CS(=O)(=O)NCCC(=O)C(=O)N1,1,GDB ChEMBL
316259,C#CC1CC(O)CC(C#N)N1,0,GDB ChEMBL
37301,C[NH2+]CC(Cc1nn[n-]n1)N(C)C(C)=O,0,GDB ChEMBL
317765,CCCC1(CC)[NH2+]C2CCCC1C(C(C)O)C2,0,GDB ChEMBL
10615,C#CC(CC1C[NH2+]CC(C)C1)(OC)C(C)(C)C,0,GDB ChEMBL
153209,C#Cc1cncn1C1(C)CC(CO)C1,0,GDB ChEMBL
245816,C#CC(CCC)C1=CC(CO)C(C)(C)C1,0,GDB ChEMBL
383747,[NH3+]CCC12CCCOC(=O)NC1C2,0,GDB ChEMBL
148226,CCC1C(C)=CCc2cc(N)ccc21,1,GDB ChEMBL
387233,CC(=O)NCC1CC([NH3+])C(C)O1,0,GDB ChEMBL
178017,[NH3+]C(C1CC(O)C(O)CC(=O)N1)C(O)C(=O)[O-],0,GDB ChEMBL
148851,CCOc1ccc(=[NH2+])[nH]c1O,0,GDB ChEMBL
26844,O=C1OCC2CNC1C1CCCCNC1=[NH+]2,0,GDB ChEMBL
203832,C=CC1NC(=O)OCC(C)C1C[NH3+],0,GDB ChEMBL
398204,C#CC(C[NH3+])(OCC)C(C#N)C(C)C(N)=O,0,GDB ChEMBL
81122,CCC(=O)C1C2C(CC#N)C3CC[NH2+]C3C12,0,GDB ChEMBL
234435,CC1(CC[NH+]=CN)CC(C(N)=O)N(CC#N)C1,0,GDB ChEMBL
235506,CC1C=CCCC=CCC(C)C1,1,GDB ChEMBL
358436,CC(=O)NC(CC(C#N)OC(N)=O)C1CN1,0,GDB ChEMBL
372679,CCc1ccc2c(n1)C=C1CC=C(C)C1C2,0,GDB ChEMBL
369903,Ic1cnc2c3c(ccnc13)CN2,0,GDB ChEMBL
143485,CCC([NH3+])C(C)C(C)(CC)CO,0,GDB ChEMBL
51340,CCC(C)C(C1=CCCCC=C1)C(F)(F)F,1,GDB ChEMBL
146924,CCC([NH3+])C1(C)CC(C)NC1=O,0,GDB ChEMBL
196716,[NH3+]CCNC(=O)C1CC(O)C2C(O)C12[NH3+],0,GDB ChEMBL
352572,CC(=CC(=O)[O-])CC1C[NH+]=C(C)N1,0,GDB ChEMBL
114781,CC(CCn1ncnn1)C(C)(N)C#N,1,GDB ChEMBL
100721,C#CCOC1CC(OC)OC(=O)NC1C,0,GDB ChEMBL
29483,CS(=O)(=O)[C-](C(N)=O)C(O)C1(C#N)CNC1,0,GDB ChEMBL
324071,CC1CC2CC2(C(=O)OC(C)C)C1,1,GDB ChEMBL
307499,C#CCC1(NC(C)=O)COCC1(C[NH2+]C)OC,0,GDB ChEMBL
124155,CC(=O)NC1C=CC2(O)C(=O)OC12,0,GDB ChEMBL
234947,O=CC(C=O)NCc1ncc(F)c(=O)[nH]1,1,GDB ChEMBL
228461,CC1C2CC(CO)C[NH+]3CCC([NH3+])CCC123,0,GDB ChEMBL
181003,CCC1[NH+](C)CCC2CC21CC,0,GDB ChEMBL
338826,CC1([NH3+])CC2(CO)C(=O)OC1C2CC(=O)[O-],0,GDB ChEMBL
342400,CC[NH2+]C(CC)C(C=O)C1CC1(C#N)C#N,0,GDB ChEMBL
122882,CCC([NH3+])C1CC1OS(N)(=O)=O,0,GDB ChEMBL
190131,OCC(O)c1nccs1,1,GDB ChEMBL
50914,CNc1cc2cc3ccnnn3c2cc1F,0,GDB ChEMBL
218348,CCC(C)c1c(Cl)ccc(Cl)c1C(C)(C)C#N,1,GDB ChEMBL
296348,CCOCC(O)C(CCO)OC,1,GDB ChEMBL
38196,C#CC(C#C)C(C)OC(C)C(C)(C)CCC,0,GDB ChEMBL
248670,CC1COC(=O)NCCC1(C#N)C(O)C(=O)[O-],0,GDB ChEMBL
199039,O=C(OC1CC1)C1CNC1C(F)(F)F,1,GDB ChEMBL
298028,C[NH2+]C(C(=O)[O-])C(C#N)CC1(N)C(C)C1[NH3+],0,GDB ChEMBL
310310,CC1=CC(C)CC2C(C)OCCC12,0,GDB ChEMBL
378919,C[NH2+]C(C)Cn1nnc(C(N)=O)n1,0,GDB ChEMBL
84949,CCC(C)CC(C)C1CC1CC(C)CC,0,GDB ChEMBL
109520,C[NH2+]Cc1scnc1C(N)=O,1,GDB ChEMBL
304360,[NH3+]CC1C2C(O)CNC(=O)N12,0,GDB ChEMBL
107833,C#CC(CCO)C(C)C[NH+]=CNC(C)C,0,GDB ChEMBL
300686,[NH3+]CCC1CCCc2cc(C(=O)[O-])oc2N1,0,GDB ChEMBL
323961,CCC1C(C)OC2OCCC21,1,GDB ChEMBL
22512,C[NH2+]CC(C)C(C[NH3+])CNC(N)=[NH2+],0,GDB ChEMBL
83495,COC(C(O)C[NH3+])C(N)C(=O)NC(=O)OC=N,0,GDB ChEMBL
230731,COCC(=O)NC(C)CO,1,GDB ChEMBL
273855,COC1CCOC(CO)C(C)O1,1,GDB ChEMBL
353220,CCCC(=[NH2+])NCC(N)C(N)=O,0,GDB ChEMBL
141850,CCC12CC(C=C1C(=O)[O-])C2,0,GDB ChEMBL
252718,CCCC1(O)C(=NO)C(=O)COC1CC(N)=O,0,GDB ChEMBL
191318,CCCC1[NH+](C)C(CC(C)C)CC(C)C1(C)C,0,GDB ChEMBL
217659,CC1=CC2CC[NH+](C2)C(CCC[NH3+])C1,0,GDB ChEMBL
131622,N#CC1(C(O)C2OC(=O)CC2O)CC1N,0,GDB ChEMBL
355174,CC1NC(=O)C2OC(CC(O)C[NH3+])C12O,0,GDB ChEMBL
346870,O=C1NCC(CS(=O)(=O)[O-])N1,0,GDB ChEMBL
321789,CC1CC(C(C)c2cccc(I)c2)C1,1,GDB ChEMBL
306287,CCC1OC(C)C2C(=O)NCC2C1C(C)CO,0,GDB ChEMBL
81078,CS(=O)(=O)C(O)C(NC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
291493,C#CC(NC(C[NH3+])C(N)=O)c1cnc(CC)o1,0,GDB ChEMBL
17099,CCCC1C2CC=CC(CC(C)C)C21,0,GDB ChEMBL
279272,CN1C(=N)CC2(CNCC[NH2+]C2)C1=O,0,GDB ChEMBL
35452,CCC1CCCC2C=C(CCO2)C1C,0,GDB ChEMBL
298058,CCC(CC(O)CC=O)C1(C(F)(F)F)CC1,0,GDB ChEMBL
216482,CNc1cc(O)c(O)c(C)n1,1,GDB ChEMBL
308732,CC1(C(O)C(O)C(N)=O)CCC2[NH2+]CC21,0,GDB ChEMBL
393571,CCCC(C)Cc1ccc(C)c(C)c1,1,GDB ChEMBL
383307,COCC1(CC(N)=O)CCn2ccc(O)c21,0,GDB ChEMBL
368549,Cc1[nH]nc(CC2CCC[NH2+]C2)c1C,0,GDB ChEMBL
31787,C[NH2+]CC(OC1=N[C-](C#N)C(O)C1=O)C(=O)[O-],0,GDB ChEMBL
357656,CC(C)CC12CCC(CC1c1ccccc1)C2,0,GDB ChEMBL
277585,CCC1CCC(C)CCC2(CC)CCCC2C1,0,GDB ChEMBL
298207,COC(C)(C)C(C)C(N)=O,1,GDB ChEMBL
249605,COCC(O)(CC(C)C)C1C[NH2+]C1,1,GDB ChEMBL
330789,CCC([NH3+])CC(CC)C1(C)CC1,0,GDB ChEMBL
215718,NC1=[NH+]C2C(O)CCN3C(=O)CC1C23,0,GDB ChEMBL
235719,CC1(CC2CC2)C2CCCCC1C2,0,GDB ChEMBL
156212,NC(=[NH2+])C(O)C1CC(=O)NC(=O)N1,0,GDB ChEMBL
6811,N=C1NCC(CC([NH3+])C(O)CC(=O)[O-])NC1=O,0,GDB ChEMBL
259467,CC(=O)C1C[NH2+]CC(C)C1,1,GDB ChEMBL
300219,CC(=O)NC1CC2(C)C[NH+](C)C1C2(C)O,0,GDB ChEMBL
28979,CC(O)C1COC(=O)CS(=O)(=O)N1,1,GDB ChEMBL
358523,O=C(CCCO)C1=CCOCC1O,0,GDB ChEMBL
262582,CC[NH2+]C(C(=O)[O-])C1OCCCCNC1C=O,0,GDB ChEMBL
382579,CCC(C)CC(COC=O)C1C[NH2+]C1,0,GDB ChEMBL
140107,CC#CCCCC(C)CCC,1,GDB ChEMBL
217131,CC1OC2C([NH3+])CC([NH3+])(C(=O)[O-])C12,0,GDB ChEMBL
67625,CC1C2OC2C2CC[NH+]3CCCC3C12,0,GDB ChEMBL
388247,CC1CC(O)C(C)C(C2CCC2)CO1,0,GDB ChEMBL
172343,CC(O)C([NH3+])C1C2NC(=O)NC21C(N)=O,0,GDB ChEMBL
341867,N#CC1C(NC(=O)C[NH3+])C1(O)CO,0,GDB ChEMBL
318390,O=C1CC(O)C(O)C(O)C(O)CN1,1,GDB ChEMBL
390520,CC(=O)C1C[NH2+]C(C)CC(CO)N1,0,GDB ChEMBL
50236,CC1CCC(=O)OC2(C)CC(O)CC=C2C1,0,GDB ChEMBL
7766,N#CC1(C(=O)[O-])CNCCN1,0,GDB ChEMBL
264960,N=C1NC(C(N)=O)C2CCC2O1,0,GDB ChEMBL
90296,C#CC(C[NH2+]C)NC1CC(C)NC1=O,0,GDB ChEMBL
181140,CCCC(C)C1C=CCCC(C)=CC1,0,GDB ChEMBL
159750,CC12C=CC(C3COCCC31)C2O,0,GDB ChEMBL
172380,CCC1OC(=N)C1(C[NH3+])NC(=O)NC,0,GDB ChEMBL
137388,CC(C(=O)N1CC(C(N)=O)NC1=N)C(O)C=O,1,GDB ChEMBL
67565,CN(C)C(=O)CC(=O)c1cn(C)nc1N,1,GDB ChEMBL
71430,CCCCC1C2CCCC2[NH2+]C12CC2,0,GDB ChEMBL
312533,CCOc1cccn1C,1,GDB ChEMBL
215687,C=CC(=CC)NC(=O)N(C)CCC,0,GDB ChEMBL
97778,CC1C(O)(CO)C(O)CC(O)C1([NH3+])C(=O)[O-],0,GDB ChEMBL
44956,C#CCN=C(C(C)O)N(C)C1CC1,0,GDB ChEMBL
296390,CC1C(CC2CO2)NS(=O)(=O)CC1C(=O)[O-],0,GDB ChEMBL
27983,COCC1=CC2CC(C)CC2C1,1,GDB ChEMBL
157398,CC1CCC(O)C2C(O)COC2(C)C1[NH3+],0,GDB ChEMBL
130886,CC(C)N=C1NC(=[NH2+])N(C(C)C(=O)[O-])C1CO,0,GDB ChEMBL
70177,CNS(=O)(=O)C12CNC(C(=O)OC1)C2CC#N,0,GDB ChEMBL
173890,C#CC1CC(O)C(CCC)CC2(C)CCCC12,0,GDB ChEMBL
175730,CC1CCC2OCC(CCC[NH2+]C1(C)C)CO2,0,GDB ChEMBL
286151,CC1C[NH+](CCO)CCCC([NH3+])C2C(O)C12,0,GDB ChEMBL
233463,NC1=[NH+]C2C(N)C(=O)NCC(O)C2N1,0,GDB ChEMBL
65927,CCC1C2C([NH3+])C2C2CCCC12C,0,GDB ChEMBL
353237,N#C[C-]1C(=O)C(C#N)N1C(=O)C(=O)[O-],0,GDB ChEMBL
137413,CCC1C2=CCCCCC(C3CC3)C1C=C2,0,GDB ChEMBL
235530,N#CCNC(CCS(=O)(=O)[O-])C1(O)CC1,0,GDB ChEMBL
365754,C#CC12OC1C(C)CC[NH+]1CCC2C1,0,GDB ChEMBL
127907,O=C1CCNC(=O)Nc2nscc2NCC1,1,GDB ChEMBL
383672,CC1=CCC2CC3CCN4C(=O)CCC12C34,0,GDB ChEMBL
383801,CC(C)OC1C[NH2+]C2CC2C(=O)C1,0,GDB ChEMBL
277383,COCc1c[nH]c(=[NH2+])c(C)c1[O-],1,GDB ChEMBL
360854,CNc1c(OC)c(N)nn1C,1,GDB ChEMBL
318363,CC1CCC=CC[NH+]1C(C)(CO)C(C)O,0,GDB ChEMBL
89121,N#CC1CS(=O)(=O)CC(CO)OC1=O,0,GDB ChEMBL
93422,NC(=O)C1(N)C(=O)NCC[NH2+]CC=C1CO,0,GDB ChEMBL
214933,[NH3+]CCC12COCC(C(=O)[O-])N1C2,0,GDB ChEMBL
127046,CCOCC1CC[NH2+]CC1C,0,GDB ChEMBL
210244,CCCC1C[NH+]=C(NC(C)=O)C1,0,GDB ChEMBL
126603,CN(CC1OC1(C#N)CO)C(N)=[NH2+],0,GDB ChEMBL
8714,CC1CNC(=[NH2+])C(C(=O)[O-])C1[NH3+],0,GDB ChEMBL
24040,CC(Cc1nc[nH]c(=N)c1I)NC(=O)N(C)C,1,GDB ChEMBL
42578,Cc1ccc(Br)c(N2CC2)n1,1,GDB ChEMBL
274233,C1CN(C2CC2)C2CC2O1,1,GDB ChEMBL
372746,C#CC1(C)OCC1NC(=O)NC,1,GDB ChEMBL
173898,CCCC1CCCCC(CC)(CCO)C1(C)C,0,GDB ChEMBL
45996,CNC(=O)C1(C[NH3+])CCS(=O)(=O)N1,0,GDB ChEMBL
236036,CCC(CNC(=O)C([NH3+])C(C)COC)C(N)=O,1,GDB ChEMBL
183462,CC1(C(=O)C2OC(=O)CC(O)CC2O)CO1,0,GDB ChEMBL
372491,CC(=O)OC1C([NH3+])CC([NH3+])C1O,0,GDB ChEMBL
236586,CC1[NH2+]CCN(C(=[NH2+])CCO)CC1NC(N)=O,0,GDB ChEMBL
161401,[NH3+]C(CO)C1OC2C[NH2+]CC1C(O)C2,0,GDB ChEMBL
352181,C#CC1C(C(=O)[O-])N(C(N)=[NH2+])C(=[NH2+])N1C,0,GDB ChEMBL
340556,C[NH2+]C1CC(=O)N(C=O)C1CO,0,GDB ChEMBL
248236,NC(=O)NC(=O)C(=O)N1CC1CO,1,GDB ChEMBL
320261,COc1cc(O)nc(NCC#N)n1,1,GDB ChEMBL
338328,CC(C)CC1[NH2+]CC23CN(C)C2C(=O)OC13,0,GDB ChEMBL
155167,CC#CC(CC)(C(C)=O)C(F)(F)F,0,GDB ChEMBL
89152,CC1(N)C[NH2+]CCCC12C([NH3+])C2CO,0,GDB ChEMBL
33305,CCC(C)(O)C1C2[NH2+]CC(N)C21,0,GDB ChEMBL
300251,CC(C1[NH2+]CCC1C([NH3+])CO)C(C)(O)C(=O)[O-],0,GDB ChEMBL
225371,CCCC(CC(F)(F)F)C(CC)CC,1,GDB ChEMBL
257411,CC1OC(=O)C2CC1C(O)CO2,0,GDB ChEMBL
193818,CCC(O)COCC1C[NH2+]C1CC(=O)[O-],0,GDB ChEMBL
202467,C=CCC1CC2C(C)=CCC1C2C,0,GDB ChEMBL
48107,CCCCC(C)C1=CC2C(N)=[NH+]CC2C1O,0,GDB ChEMBL
103397,CNC1=NCCN=C(N)NC(=O)N1,1,GDB ChEMBL
112033,C[NH+]=C1NCC(CC=O)CN1C,0,GDB ChEMBL
319807,OCCCCCCC12CC3CC3C1O2,0,GDB ChEMBL
73282,CCC1OC(OC)CC1O,1,GDB ChEMBL
176435,COC(=O)C1C2[N-]S(=O)(=O)C1C2(O)C#N,0,GDB ChEMBL
320270,CN(C)c1c(Br)cccc1Br,1,GDB ChEMBL
338643,CN1CC(O)C(O)C(C#N)(CC#N)C1,0,GDB ChEMBL
169063,C=C(CCCCC)C(C#N)=CCO,1,GDB ChEMBL
176449,CC1(C)CC2CN1C(=N)C(=O)NCCO2,0,GDB ChEMBL
305801,N#CC(CCCO)C1NS(=O)(=O)CC1CO,0,GDB ChEMBL
153306,N#CC1C2CC(O)C(C(=O)[O-])C1N2,0,GDB ChEMBL
299196,CCC[NH2+]CCC(C)(C)N1CC1,0,GDB ChEMBL
26465,CC(C)C1C(C)CC(C)(C)CC1O,1,GDB ChEMBL
172381,C#CCN1CC(C)[NH2+]CC(C)(CC(O)C#C)C1,0,GDB ChEMBL
81592,CC12CC[NH+](C1)C1(C)CC1NC(=O)C2,0,GDB ChEMBL
289807,CNc1n[nH]c(CC#N)c1C(O)C[NH3+],0,GDB ChEMBL
230738,O=C([O-])C1CC[NH+]2CC=CCC12,1,GDB ChEMBL
222784,CCC1COC2C(C)C(C)OC2C1[NH3+],0,GDB ChEMBL
67591,O=S(=O)([O-])CC1CC[NH2+]C2C(O)CC1C2O,0,GDB ChEMBL
160845,CCC(C)CC1C(C)COC(C)C1C,0,GDB ChEMBL
167349,CC#CC#CC(OC)C(C)(C)CCOC,0,GDB ChEMBL
392717,CC1(C)CC2CC=CCC(CCC2)C1,0,GDB ChEMBL
107651,C#CC1(O)C[NH2+][C-](C=O)C(C(F)(F)F)C1CC,0,GDB ChEMBL
273968,C[NH2+]C1C(O)C([NH3+])C2CC(=O)NC21,0,GDB ChEMBL
79502,C#CC(C#C)[NH2+]CC(C)c1ccccc1O,0,GDB ChEMBL
175573,CC1(C)CCC(C)(O)C(CCC=O)C1=O,1,GDB ChEMBL
110193,COCC1=NCC=CCN(C)C(=O)N1,0,GDB ChEMBL
4964,CC(CO)OC1CCOC1=O,1,GDB ChEMBL
80315,CCCc1cc(N)oc1CC(=O)C[NH+](C)CC,0,GDB ChEMBL
37634,COC(=O)NCC1C=C2C=CCC2[NH2+]1,0,GDB ChEMBL
65902,CCCCC1CC2(C)CCC(C)(C2)C1C,0,GDB ChEMBL
304373,CC1(O)C([NH3+])C1N1CC2CC1C(=O)N2,0,GDB ChEMBL
197495,C[NH+]1CC(C2(C)C[NH+]=C(N)OC(C[NH3+])C2)C1,0,GDB ChEMBL
347971,CC(C)CC(C)CC1CCCCCC1C,0,GDB ChEMBL
132238,CC1=CCC(=NO)C2OC(=O)C2NC1=O,0,GDB ChEMBL
62047,COC(=O)C(=O)C1NC(=O)CCCC1=NO,0,GDB ChEMBL
273697,CCC(CC1CC[NH+]2CC1C1CC12)C(C)C,0,GDB ChEMBL
112798,C#CC(C(CC)CO)[NH+](C)C1(C)CC1,0,GDB ChEMBL
118396,COc1cnc(C)nc1COC=N,1,GDB ChEMBL
279126,CC[NH2+]C1c2c(Cl)cccc2C(C)C1C=O,0,GDB ChEMBL
64087,CN1CC2(C=CC(O)C([NH3+])C1=O)CO2,0,GDB ChEMBL
98873,CNC(=O)N1C2C(O)CC(C)(C#N)C21,0,GDB ChEMBL
356843,CCCC(COC)C1(O)C([NH3+])C1S(N)(=O)=O,0,GDB ChEMBL
116660,CCC1(C[NH+](C)C)C=CCC(C)C=C1,0,GDB ChEMBL
233449,CCCC1CC2CCCC3C2[NH+]13,0,GDB ChEMBL
271478,CCNc1c(O)ncc2c1C(C)[NH2+]C2,0,GDB ChEMBL
286267,COC(C)C1CN2C(C(=O)CS2(=O)=O)C1O,0,GDB ChEMBL
304359,CCCC1[NH2+]CC23CC2COC13,0,GDB ChEMBL
374360,COC(C(=O)[O-])C(C)NC=[NH2+],0,GDB ChEMBL
288657,CC(OS(N)(=O)=O)C(C)(C[NH3+])CO,0,GDB ChEMBL
26332,C#CC1CC1C(C1CCOCC1)C(C)[NH2+]C,0,GDB ChEMBL
259540,CCC1(CCN(C)CC[NH2+]C)OCC(=NC)O1,0,GDB ChEMBL
144566,C#CC1C(CCO)C1C[NH2+]C,0,GDB ChEMBL
20475,NC(=[NH2+])NC1C(O)C1(O)COC(N)=O,0,GDB ChEMBL
109552,CCC12COC1C(CC[NH3+])C[NH2+]2,0,GDB ChEMBL
271864,C#CCCOC(C)C1CCC2C[NH2+]C(C)C2C1,0,GDB ChEMBL
136514,C[NH2+]CC1CC(O)CC1([NH3+])CCS(=O)(=O)[O-],0,GDB ChEMBL
134787,COC1CC(C)(CO)C1NCC(C)[NH3+],0,GDB ChEMBL
186746,N=C1OC(CO)C(O)CCN1C(N)=O,0,GDB ChEMBL
363162,COC(=O)N(C)C(=O)C(O)C(=O)[O-],1,GDB ChEMBL
46902,CCCOc1c(CO)nc(Br)nc1OC,1,GDB ChEMBL
230268,CN(C)C(=O)C1CC1(CO)[NH+]1CCC1,0,GDB ChEMBL
214760,Cc1cnc(C(O)C(C)C)c(CO)n1,1,GDB ChEMBL
217095,CCC(C[NH3+])C1(C)C(O)C1C(=O)[O-],0,GDB ChEMBL
230272,COCC1Cc2conc2CC(=O)O1,1,GDB ChEMBL
111562,CCC1(C[NH2+]C)OCC([NH2+]C)C1CC(C)(C)C,0,GDB ChEMBL
313373,CC(O)C1C([NH3+])C2CN(C)C1CO2,0,GDB ChEMBL
203498,CCC1(O)CC(O)CC1(CC)C(C)(C)C(C)C,0,GDB ChEMBL
227553,O=Cc1cc(F)cc(N2CC2)c1,1,GDB ChEMBL
389664,N#CC(N)C12OC1CCNC2=O,0,GDB ChEMBL
377785,NC(=O)C1(CO)C([NH3+])COC(=[NH2+])NC1CC[NH3+],0,GDB ChEMBL
321964,CC[NH2+]C(C(C)O)C1(CC[NH3+])CN1C,0,GDB ChEMBL
214761,C#Cc1nc(CC(C)C[NH3+])cc(N)c1Cl,0,GDB ChEMBL
135806,C#Cc1c(C[NH3+])cc(F)c(F)c1CC1CC1,1,GDB ChEMBL
378282,CC1OC(=O)NC1(C)CNC(=O)CNC(N)=[NH2+],0,GDB ChEMBL
204310,CC1([NH3+])CS(=O)(=O)NC1(CO)C(=O)[O-],0,GDB ChEMBL
135793,C[NH2+]CCN(CC1CC(C)(OC)C1)C(C)C,0,GDB ChEMBL
235978,CCC(C)[NH2+]CC(=O)C#CC(C)(C)C,1,GDB ChEMBL
170239,NC1C(=O)OCOC2CCC1[NH2+]C2,0,GDB ChEMBL
857,CC1CNC(=O)C(CC2(O)C(N)C2[NH3+])O1,0,GDB ChEMBL
236708,CC1CC=CCC(C)(C)C1,1,GDB ChEMBL
1053,CCCOCC1CC2=[NH+]CC(CO)N21,0,GDB ChEMBL
286874,CCCC1C(C)C(CC)(CCC)C2CC[NH+]1C2,0,GDB ChEMBL
120409,COC1CCC2C3CCC(C)(C3)C1C2C,0,GDB ChEMBL
389364,CCC1CC2(C)[NH2+]C(CCC2CCO)C1(C)O,0,GDB ChEMBL
392246,COC1C=CCN2C(=O)CC(C)(O)C2C1,1,GDB ChEMBL
103536,CNC(=O)C(=O)COC1CCC([NH+]=CN)CC1,0,GDB ChEMBL
251867,CCc1nc(CC(C)(C)C)c(C)c(C)c1Cl,1,GDB ChEMBL
106660,NC(=O)N1CCC2C3CC(=O)OC3C(C=O)C21,0,GDB ChEMBL
383822,CC12OCC1[NH2+]CCC2C(O)C[NH3+],0,GDB ChEMBL
281190,CCCCC1CC(CC)CC2CC2(C)C1,0,GDB ChEMBL
265506,CCOC(=O)NCC1CNC(=O)C(=N)N1,0,GDB ChEMBL
274198,CCOC1(C[NH2+]CCCC(C)O)CNC1,0,GDB ChEMBL
375889,CC(CCO)OS(=O)(=O)[N-]C(=O)C1(N)CC1,0,GDB ChEMBL
186723,C#CCC1C(C)CC2CCC1(O)C[NH+]2CCO,0,GDB ChEMBL
48064,CCc1c(F)cc(C)cc1F,1,GDB ChEMBL
116044,CC1C=CCC2(CC([NH3+])CC2C(N)=O)O1,0,GDB ChEMBL
290014,C[NH2+]C1CC[NH+](C)C(C)C2C(O)C12C,0,GDB ChEMBL
358144,[NH2+]=C1NCCC(C([NH3+])CO)O1,0,GDB ChEMBL
257474,[NH3+]CC1OCC(O)(C(O)C(=O)[O-])CC(O)C1O,0,GDB ChEMBL
384831,CC([NH3+])C1(C)CCC2C[NH2+]CCN(C2)C1,0,GDB ChEMBL
136104,CNC(=O)CC([NH2+]C)C(N)(CO)C(N)C(N)=O,0,GDB ChEMBL
223548,[NH3+]CC1OCCC1(CO)CO,0,GDB ChEMBL
70135,CCN=C1OC(C)C(O)C1OC,0,GDB ChEMBL
122660,Cc1ccc(C2=CCCC23CC3)cc1Cl,1,GDB ChEMBL
395610,COCC(=[NH2+])NCCN1CC=CC1CC=O,0,GDB ChEMBL
104479,COCc1c(Cl)oc(=O)c2c1OCC2,1,GDB ChEMBL
295916,N#Cc1cc(C[NH3+])c(Br)cc1Br,1,GDB ChEMBL
22061,CC(=N[O-])C1(CO)OC(=O)CC1C,0,GDB ChEMBL
255137,CCCC1=CCC[NH2+]CC1,0,GDB ChEMBL
334128,C#CC1=CC[NH2+]CCC2OC(=O)C2C1,0,GDB ChEMBL
258311,C[NH+](C)C(CC=O)CC[NH+]=C(N)N,0,GDB ChEMBL
342570,COCC1(O)C(CC(O)C(=O)[O-])C1(C)O,0,GDB ChEMBL
236672,Cc1c(O)cc(N)nc1C[NH3+],0,GDB ChEMBL
349468,CCc1ncc(-c2ocnc2C)cc1C[NH2+]C,0,GDB ChEMBL
155809,CCC1C2C=CC=CC1C1CC=CCC2C1,0,GDB ChEMBL
264916,C#Cc1c2c(CC)c(C)c(Br)cc2cn1CC,1,GDB ChEMBL
294255,N#CCNc1snc(N)c1C(=O)[O-],0,GDB ChEMBL
78614,NC1C(=O)OC1C(=O)NC1CC1,1,GDB ChEMBL
104424,Cc1cc(Br)cc(-c2n[c-](CC#N)c(=O)o2)n1,0,GDB ChEMBL
90297,CCC1(C#N)C=C(C)C(CCCC(C)=O)C1,0,GDB ChEMBL
190816,CCC1(CC(C)(C)C)CCC(C(C)C)C(C)C1,1,GDB ChEMBL
251030,CC(C)c1cccc(I)c1C1(C[NH3+])CC1,0,GDB ChEMBL
97723,CCC(=O)C1=CC2COC(=O)C1C2,0,GDB ChEMBL
216186,CC1C2NC(C)(C(N)=O)C(C1O)N(C)C2=O,0,GDB ChEMBL
359078,C#CC1CCC(=[NH+]C)NC1CC(=O)[O-],0,GDB ChEMBL
284303,CC12CN1CC1NC(=O)C(CO)CC12,0,GDB ChEMBL
98524,C#CC1=CCC2OCC2CC([NH+](C)CC)C1,0,GDB ChEMBL
218595,CC1CC2CC=CCC2C2CCCC12,0,GDB ChEMBL
31338,CC1CC(O)CC(=O)C(=N)OC1CCO,0,GDB ChEMBL
264031,C[NH+]1CCC2C3CC(C#N)C1C23,0,GDB ChEMBL
44342,CCCCC1CC1C1C=CCCC1C,0,GDB ChEMBL
356510,C#CC1(O)CC2CC(C)C(C2)C(CCCC)C1,0,GDB ChEMBL
124528,CCN(CC(N)=[NH2+])C(N)=[NH+]C(C=O)CC(=O)[O-],0,GDB ChEMBL
225469,[NH3+]CC(O)C1NCC(=O)NCC1[NH3+],0,GDB ChEMBL
368429,O=C1CC=C(C2CCC(=O)N2)C1,0,GDB ChEMBL
289226,C#CC1CC(CCC)C(C2CC2[NH2+]C)C[NH2+]1,0,GDB ChEMBL
263274,CC1CC1N(C(=O)CO)C(=O)n1cnnn1,1,GDB ChEMBL
83493,NC(=O)C(C[NH3+])C1OC(=O)C2C([NH3+])COC12,0,GDB ChEMBL
320418,CC(=O)CC(C)(C(C)O)C1C[NH+](C)C1C,0,GDB ChEMBL
382612,C#CC1C=C(C)c2c(Cl)cc(Cl)cc2O1,1,GDB ChEMBL
176456,CCC1C=C(C)C2(C)CC(C)(OC)CC12C,0,GDB ChEMBL
344265,CCC(C)(C)C(=O)C1CCC(O)C[NH+]1C,0,GDB ChEMBL
279262,C#CC(C)(C#C)N(CC(C)CC[NH3+])C(N)=[NH+]C,0,GDB ChEMBL
280717,COC1C2C(=O)NCCC(O)C1C2(C)O,0,GDB ChEMBL
240017,CC#CCC1CCC2C[NH2+]CC12,0,GDB ChEMBL
4884,CCC1OCC(CC(C)C(C)[NH3+])C1(C)O,0,GDB ChEMBL
292711,NC(=[NH2+])C1CC(O)CC([NH3+])C1C(N)C(N)=O,0,GDB ChEMBL
95216,CC(=N)Nc1onc(N)c1C(N)=O,1,GDB ChEMBL
227756,CN(CC(=O)[O-])C1(C[NH3+])CCOC1C[NH3+],0,GDB ChEMBL
219537,CCN1CC1CCn1cc(C#N)nc1C[NH3+],0,GDB ChEMBL
350308,CC(C)CC1(CO)CC([NH3+])C1,0,GDB ChEMBL
372521,CCCC(C#N)C1[NH2+]C(C)CCC2CCOC21,0,GDB ChEMBL
61920,C=C(C)C1C=C(CC)CCCCC1,1,GDB ChEMBL
161757,NC(=O)NC(=O)C(=O)OC1C(N)C1[NH3+],0,GDB ChEMBL
184918,C[NH2+]C1C(O)C2NS(=O)(=O)CC2(C)C1C,0,GDB ChEMBL
133033,O=C(CC1(CCO)CNC=[NH+]1)OCCO,0,GDB ChEMBL
352608,CC[NH+]1C2CCC(C)C(C)(C1C)C2(C)O,0,GDB ChEMBL
366514,COCCCc1n[n-]c(=N)o1,0,GDB ChEMBL
323964,COCC(O)CNc1n[n-]c(=O)oc1=N,0,GDB ChEMBL
165248,CCCOC(=O)C#Cc1ccoc1,1,GDB ChEMBL
274401,[NH3+]C12CCOC(=O)CC1C2O,0,GDB ChEMBL
337155,CC([NH3+])(CO)C1C2[NH2+]CCC(O)C21,0,GDB ChEMBL
228374,CC(CC(C)N(C=O)C1=NCC(=O)N1)C(N)=O,1,GDB ChEMBL
137081,COc1coc(C(CCCO)CC([NH3+])CN)c1,0,GDB ChEMBL
354129,NC(=O)NC(CCO)CCOC(=O)NC=O,1,GDB ChEMBL
251947,CC1=CCC(OCCO)C1C,1,GDB ChEMBL
5305,CC1CN(CCO)C(=[NH2+])OC(CC(N)=O)C1O,0,GDB ChEMBL
165215,CC(O)CC(O)(C[NH3+])CC[NH3+],0,GDB ChEMBL
382485,[NH3+]CC1C(=O)NC2(CO)C3NS(=O)(=O)C1C32,0,GDB ChEMBL
377953,CC[NH+](C)CCCC1C[NH2+]1,0,GDB ChEMBL
183442,COS(=O)(=O)NC(C)CC([NH3+])C(O)CCO,0,GDB ChEMBL
201351,CC1CCCc2ccc(C(F)(F)F)c(Cl)c2C1,1,GDB ChEMBL
153294,NCC1[NH2+]CC2C(O)CNC(=O)NC2C1O,0,GDB ChEMBL
208321,C[NH2+]CC12CC(C)C(C)C1(C)C(O)CO2,0,GDB ChEMBL
31104,CC1NC(=O)C2CCOCC1(C#N)O2,0,GDB ChEMBL
255449,CNC(=O)OCCNCS(=O)(=O)NC1CC1,1,GDB ChEMBL
140393,CCOC(=N)C(CC(C)(OC)C(=O)[O-])=NO,0,GDB ChEMBL
182886,CCC#CCC[NH2+]CC(C)=O,0,GDB ChEMBL
267331,CC12C(=O)CC(CC[NH2+]C3CCC31)CC2O,0,GDB ChEMBL
38532,O=C(CO)C1C2CC(O)CC(=O)N21,0,GDB ChEMBL
308245,CC1CCC([NH3+])(CO)CN(C)S1(=O)=O,0,GDB ChEMBL
156006,NC(=O)C(N)C1CC2[NH+]=C(N)NC1C2O,0,GDB ChEMBL
398154,NS(=O)(=O)CC1CN2C(=O)CC([NH3+])C2CN1,0,GDB ChEMBL
119404,C[NH2+]Cc1c([O-])cc(COC=N)cc1F,1,GDB ChEMBL
197496,CC[NH+](C)CCC(C)(C)N1C=[NH+]C(C)C1CO,0,GDB ChEMBL
35689,CC1CC2C3C=CC(C2CCO)C13,0,GDB ChEMBL
194410,C=CC(O)C1C(C)C1C(C)CC[NH3+],0,GDB ChEMBL
93091,CC1CN2C(=N)C(O)C2CNCC(=O)N1,0,GDB ChEMBL
392473,CCCC1=CC(OC)CC12CC(CO)C2,0,GDB ChEMBL
36032,N#CCc1n[n-]c(C#N)c1C(=O)NC(=O)CN,0,GDB ChEMBL
132261,C#CC1OCC2c3cccc4c3C(CCC4)C12,0,GDB ChEMBL
130381,C[NH+]1CC2C(C[NH3+])(CCO)COC2(C)C1,0,GDB ChEMBL
41595,NC12COC(=O)NC1CNS(=O)(=O)C2,0,GDB ChEMBL
220204,NC(=[NH2+])N(CC=O)C1COC1,1,GDB ChEMBL
21587,Oc1cc(Cl)cc(C23COCC(C2)C3)c1,1,GDB ChEMBL
148869,CC1(CO)C(=O)OCC1[NH3+],0,GDB ChEMBL
160006,CCC12CC[NH2+]CCCCCC1C2[NH3+],0,GDB ChEMBL
43525,CC1=CCC(CC2CC2)C[NH2+]C1,0,GDB ChEMBL
219548,CCC1C(=O)C(O)C2OC1C2NC(N)=O,0,GDB ChEMBL
27010,CC1CC(C)C(NC(=O)C[NH3+])(C(C)O)C(N)=[NH+]1,0,GDB ChEMBL
362189,C#CC1(C(C)[NH2+]C)CNC(CO)COCCO1,0,GDB ChEMBL
362828,C=CCC(CCC=CC)C(C)CC,1,GDB ChEMBL
81746,[NH3+]C1CNC(=O)C(O)C2CN2S(=O)(=O)C1,0,GDB ChEMBL
221112,CC(C)[NH2+]C1CCC(C)C1OCc1nccs1,0,GDB ChEMBL
99664,CC1C2CC[NH+](C)C(C)C(C2=O)C2CCC12,0,GDB ChEMBL
305812,CC1=CC2Cc3cc(Br)cnc3C1C2C,0,GDB ChEMBL
278894,NS(=O)(=O)CC1C([NH3+])CC2CC1CC2O,0,GDB ChEMBL
114993,C#CC1CN(CCC[NH2+]C)C1=O,0,GDB ChEMBL
49159,CNc1c(C)c(Cl)cc2c1C(C)CC2=O,1,GDB ChEMBL
136431,COC(=O)C1(C#N)NC1CC(=O)[O-],0,GDB ChEMBL
17642,O=CC1CC=CC1C(=O)[O-],0,GDB ChEMBL
38160,CC1CC2(CCCC2)C(C)[NH2+]1,0,GDB ChEMBL
369865,C#CC12CCN(c3cc(C)[nH+]cc3C1)C2(C)C,0,GDB ChEMBL
210935,COC1CC2[NH2+]C1CC(C)C2O,0,GDB ChEMBL
249873,CCCCC1(C#N)CC1(C)C,1,GDB ChEMBL
98532,C[NH2+]Cc1c[n-]c(C(C)C(C)C)nc1=O,0,GDB ChEMBL
259629,COC(=O)N(CC(=O)[O-])C(=O)CC#N,1,GDB ChEMBL
175716,CC(CC1CC1)C1COCOC(N)=N1,0,GDB ChEMBL
216144,CC1CC2(C)C(C#N)C(O)CC2C1(O)C[NH3+],0,GDB ChEMBL
338252,O=C1NC2C3C(CO)[NH2+]C1CC23O,0,GDB ChEMBL
161101,CC(CO)N=CNC(=O)Nc1cncc(O)n1,1,GDB ChEMBL
391680,CNC(C#N)C(O)C1CCC(=O)N1,1,GDB ChEMBL
394912,O=C1CCCC2=CC(CC2)O1,1,GDB ChEMBL
337126,CC(O)(CCn1ncnn1)C1COC1=O,1,GDB ChEMBL
303332,CC1=CCCC(c2cc[nH]n2)C1,1,GDB ChEMBL
106017,NCC1CCC2=CCCOCC2C[NH2+]1,0,GDB ChEMBL
117427,C#CC(C)CC1CCCCC(C)(C(N)=O)O1,0,GDB ChEMBL
45726,O=CC(=O)N1C(=O)[N-]C(CO)C1=O,0,GDB ChEMBL
391800,CC1CC(C#N)=CC1C1(O)C[NH2+]C1C(N)=O,0,GDB ChEMBL
239143,CCCN=c1cc(C=O)cc(O)cn1,0,GDB ChEMBL
348433,CC1CC2OC(=NC2CCO)C(=NO)C(=O)N1,0,GDB ChEMBL
118420,CCCOC(=O)C1C(=O)OCC1(O)C(=O)[O-],0,GDB ChEMBL
240817,CCCC1C(C)CCC2CCC(=O)C(C2)[NH+]1C,0,GDB ChEMBL
33320,CC#Cc1cc(Cl)c(C)c(C)c1C1CC1,1,GDB ChEMBL
353530,C=C(CC1CC1)CC([NH3+])(CC)CO,1,GDB ChEMBL
111467,C#CC(C#N)(CO)NCC#CC,1,GDB ChEMBL
258356,C#CC(C)C1CC2CC2c2ccc(Cl)cc21,0,GDB ChEMBL
78642,CCC1[NH2+]C2CC(C2)c2c(F)cc(F)cc21,0,GDB ChEMBL
44674,CC1[NH2+]C2COC1C2CC([NH3+])CO,0,GDB ChEMBL
304167,CCC(O)C1CC(C)C(C)(C#N)N1,0,GDB ChEMBL
13865,C[NH+](C)C1C2CC(O)CC(O)(C2)C1C1CC1,0,GDB ChEMBL
75830,C[NH2+]CC1N2C(=O)C=CC12C,0,GDB ChEMBL
315291,C=CC1CCCC2=CC(C)C(O)C21,0,GDB ChEMBL
11682,CC1OCCN2C1CC21CCNC1=O,0,GDB ChEMBL
243339,CC12C3C(O)CC(=O)N3CC1(O)C2C#N,0,GDB ChEMBL
288613,C#CC(O)c1cc2ccc(F)c(F)c2nc1N,1,GDB ChEMBL
58453,CCCC(CC(C)C)C1(CC(C)C)CC1,1,GDB ChEMBL
271000,CC1NCCS(=O)(=O)CC1NC=O,0,GDB ChEMBL
235214,CC(C)C(O)CCC(C)(C)NC(N)=O,1,GDB ChEMBL
116591,N#Cc1cc2n(c1N)CC2OC(C[NH3+])CO,0,GDB ChEMBL
281194,CC(=O)OC=NCC(C)C,1,GDB ChEMBL
33845,COC(=O)COC(C)C(O)C1CC(C)NC=[NH+]1,0,GDB ChEMBL
115735,CC(CO)C(C)CCCC1(C)CCC1,0,GDB ChEMBL
304651,O=CC(O)CNC1COC1=O,1,GDB ChEMBL
108742,C[NH2+]C1C2CC(C(=O)[O-])(CC(CO)C2O)C1O,0,GDB ChEMBL
53069,CCC1C=C(C)CC2C(C)CCCC12,0,GDB ChEMBL
348860,Cc1ccc(-c2cnc(CC[NH3+])cc2Cl)cn1,0,GDB ChEMBL
34167,COC1CC2CC(C)(C)C(C3CCCO3)C1[NH2+]2,0,GDB ChEMBL
278141,CCC(O)(C(=N)N(C)C1C[NH2+]C1)C(C)C,0,GDB ChEMBL
351359,C[NH2+]C(C(N)=O)C1(O)CC1(C)S(N)(=O)=O,0,GDB ChEMBL
362171,CC1=CC=CC#Cc2cccc(c2)C(C)C1,1,GDB ChEMBL
94622,CCCC(C[NH+](C)C)n1nc(O)c([O-])c1C,0,GDB ChEMBL
75865,CN1C(C(N)=O)CC=CC1(C)C[NH+]=C(N)N,0,GDB ChEMBL
251029,CCC(OCC[NH3+])c1csc(N)c1,0,GDB ChEMBL
41079,CC(O)(CCO)C(C#N)C1(CC[NH3+])CC1,0,GDB ChEMBL
330510,CCc1cc(Br)cc2nccc(C)c12,1,GDB ChEMBL
351379,CCC(C)C([NH3+])CN=C(N)OC,0,GDB ChEMBL
247366,CC1C[NH2+]C2(C3CCCO3)C(O)C2C1,0,GDB ChEMBL
387329,COc1c(N)c2c(ncn2C)[nH]c1=O,1,GDB ChEMBL
244572,[NH3+]C1CCNC(=O)C2OC1CN1CC21,0,GDB ChEMBL
228771,CN1C(=[NH2+])NC2CC(C(=O)CO)CC21,0,GDB ChEMBL
156064,N=c1cc(COCC(O)C[NH3+])c(O)cc(N)[nH+]1,0,GDB ChEMBL
184517,CC#Cc1cc(C)ccc1Br,1,GDB ChEMBL
222840,CC(=O)N(C1CC1)C1CC1,1,GDB ChEMBL
365723,CCCc1c(C#N)cnn1C1CC1,1,GDB ChEMBL
388302,C=C(CC)C(O)CC(C)C1([NH3+])CC1,0,GDB ChEMBL
250616,COCC1(CC(C)[NH3+])CO1,0,GDB ChEMBL
24773,CCC1CC(C)C2(C(C)O)OC2C[NH2+]1,0,GDB ChEMBL
304850,CCCCC(CC1C2CCC1C2)C(C)CC,0,GDB ChEMBL
150088,CC1C2OC1(CNS(C)(=O)=O)CCC2[NH3+],0,GDB ChEMBL
238126,CCCC(N(CC[NH3+])C(N)=[NH2+])C1([NH3+])CC1,0,GDB ChEMBL
76079,COCC1N(C)C12CC(C)OC2C(=O)[O-],0,GDB ChEMBL
49138,C=C(C)Cn1ncc(O)c1C(=O)[O-],0,GDB ChEMBL
305194,CCN1CC(=O)COC(CO)C2(C)CC12,0,GDB ChEMBL
122957,CCC(CO)C(OS(N)(=O)=O)C1CO1,1,GDB ChEMBL
64672,CCc1ccc(C(C)CC2C(C)C2C)cc1,1,GDB ChEMBL
385366,CC[NH2+]C1C(=O)CC[NH2+]CCC1C,0,GDB ChEMBL
337802,CC1CC([NH3+])C2(CO)CC12C(N)=O,0,GDB ChEMBL
312202,CC1OC2C3CC[NH2+]C2C1C3C,0,GDB ChEMBL
385411,NC(=[NH2+])N1CCCC[NH+]2CC=C(C1)C2,0,GDB ChEMBL
50874,CCOC1=NCCC(C)C1,1,GDB ChEMBL
318519,CC1[NH2+]CCOCC2C1C1(C)CC2(O)C1,0,GDB ChEMBL
124510,CCOC(C)C1(C)CC=C(C)C1,1,GDB ChEMBL
194717,CN(CC#N)C1CC12CCOC2,1,GDB ChEMBL
365721,N=C1OC2(COC(=O)CC(O)C2)CN1C=O,0,GDB ChEMBL
133211,CC(c1ccno1)C(C#N)[NH+]=C(N)N,0,GDB ChEMBL
302651,CC1(C#N)CC2CC(O)C(C2)NC1C=O,0,GDB ChEMBL
280334,COC(C#N)C1C(O)C1C([NH3+])CC(=O)[O-],0,GDB ChEMBL
259090,COC1CC(=NO)C(C(N)=O)C12CN2C(C)C,0,GDB ChEMBL
334649,C=CC(=CCC)c1cccc(F)c1,1,GDB ChEMBL
283273,CCCC1NC(=O)C2OC12,1,GDB ChEMBL
318558,CC1CCCCCCCCC[NH2+]1,0,GDB ChEMBL
389102,CCC(C)C1CC(C)(CC)C(C(C)(C)CC)[NH2+]1,0,GDB ChEMBL
43520,CN1CC(NCc2cncnc2Cl)C1,1,GDB ChEMBL
343243,Cn1c(Br)cc(N2CCC[NH+](C)CC2)cc1=O,0,GDB ChEMBL
207015,CCc1cccc2c1CC1CCC(C)=CC21,1,GDB ChEMBL
50946,CCS(=O)(=O)C(CO)C1(C(N)=O)NC1C#N,0,GDB ChEMBL
334469,C#CCC1CC(C(C)C)C2CCCC12,0,GDB ChEMBL
227533,COCC1(CO)COCCOC(=N)N1,1,GDB ChEMBL
139849,O=CN(CCO)C1CCC1,1,GDB ChEMBL
1486,CCC(C=CCO)[NH2+]CC#CCO,0,GDB ChEMBL
60988,N#CC12CC(NC(=O)C1N)C2CS(N)(=O)=O,0,GDB ChEMBL
331133,CCC1CCC(C)CC2CC1C2(C)C,0,GDB ChEMBL
41077,N=C1NC=CCN1C(=O)C(N)C[NH3+],0,GDB ChEMBL
323350,CC[NH2+]Cc1coc(C(O)C=O)c1,0,GDB ChEMBL
255378,CC#CC1C[NH2+]C(CCC)C(CO)C1,0,GDB ChEMBL
278132,CC1CC2C(CC3CCCCCC32C)[NH2+]C1C,0,GDB ChEMBL
143455,NC(=O)C1CNC=[NH+]CCCOC1C(=O)[O-],0,GDB ChEMBL
238599,Nc1ccc2c(c1)COC2,1,GDB ChEMBL
179148,COC1C[NH2+]C2CC2C(=O)C1C,0,GDB ChEMBL
144595,CC1CC(O)C2C=C(CC2[NH3+])CC1(C)O,0,GDB ChEMBL
78615,C#CCC(C)[NH+]1C(CCC)C(C)(C)CC1(C)C,0,GDB ChEMBL
60616,C[NH2+]CCc1c(O)c(C(C)=NO)cn1C,0,GDB ChEMBL
136701,C#CCCC([NH3+])CC1C(C)CC2CC1(O)C2,0,GDB ChEMBL
38898,Cc1scnc1CCCCNC(=[NH2+])C(=O)[O-],1,GDB ChEMBL
378910,CC(C[NH3+])C1C([NH3+])C1C(O)C(N)=O,0,GDB ChEMBL
218351,CC1=CC(=O)OC2C=C(CCC2)CC1,1,GDB ChEMBL
245850,CCN(C)C(=O)C1CC1([NH3+])C(C)OC,1,GDB ChEMBL
383763,CC(C)([NH2+]CCC(=O)[O-])C(N)C1=NCCO1,1,GDB ChEMBL
290162,NC(=[NH2+])C1C(CO)CC(O)C12NC2C(=O)[O-],0,GDB ChEMBL
216467,COC(=O)C1(C)NC(C([NH3+])C(=O)[O-])C(O)C1O,0,GDB ChEMBL
174161,CCC1CCCC=C2C3CCCCC(C3)C21,0,GDB ChEMBL
398987,O=C1NCC2(C3CCCC#CCCC3)CC12,0,GDB ChEMBL
215692,COC(=O)CC(=N[O-])c1nc(O)sc1N,0,GDB ChEMBL
53843,CCC1C2CCCC1C(C(C)C)CC2,0,GDB ChEMBL
182530,N#CC1CC(=O)[N-]C2C(=N1)Nc1nccnc12,0,GDB ChEMBL
191355,CCCC1CC([NH2+]C)C(N)C1NC1CC[NH2+]C1,0,GDB ChEMBL
353242,C#Cc1c(C)c(CC)c(F)c2cc[nH]c12,1,GDB ChEMBL
99623,CC(C)C1=CCCC=C(C(C)C)C=C1,1,GDB ChEMBL
79576,CC[NH+](C)CCC1(C)CC=CC1,0,GDB ChEMBL
113542,CCC[NH+]1CCC2c3[nH]ncc3CCC2C1,0,GDB ChEMBL
152510,CC1=CC=CCC#Cc2c(F)cccc21,1,GDB ChEMBL
34367,CCC1CC2CC(C)(C)CC1OC2C,0,GDB ChEMBL
300707,CCCCC(CC)C1(C)CCC(C)CC1CC,0,GDB ChEMBL
217167,[NH3+]CCNC1C(=O)NCC1O,1,GDB ChEMBL
360855,C#CC#CCc1cc(O)c(N(C)C)cc1Br,1,GDB ChEMBL
140837,CC(O)C(O)C([NH3+])C1C2C(=O)NCC21[NH3+],0,GDB ChEMBL
81741,C=CC(=C)C(C)C(C)C1CCC[NH2+]1,0,GDB ChEMBL
249477,CCC1CCC(C(C)C=O)CCC[NH2+]1,0,GDB ChEMBL
174008,COC(C)C(CO)OCC(C)O,1,GDB ChEMBL
332706,COC1CC(=[NH2+])NC1CS(=O)(=O)[O-],0,GDB ChEMBL
132240,CCCCC12CC(CC)CCC1C2C,0,GDB ChEMBL
395162,NC(=O)C1(C(=O)[O-])C(N)=[NH+]CC1O,0,GDB ChEMBL
53037,C#CC1=CCCC=CC(O)C(C)(C)C1,0,GDB ChEMBL
177064,CC1C(c2ccccc2Cl)[NH2+]C2C(C)C12,0,GDB ChEMBL
252538,CC[NH2+]CC(O)CCS(=O)(=O)[N-]C(N)=O,0,GDB ChEMBL
255382,O=C1NC2CCOC2C2OCOC12,0,GDB ChEMBL
251885,CC(C[NH3+])C1CCC2OC21,0,GDB ChEMBL
284694,CC1(OC(N)=O)CCNCC1=O,1,GDB ChEMBL
126586,CC1CCCCC([NH3+])C(O)C(C)CC(O)C1C,0,GDB ChEMBL
255334,CC1C[NH2+]CCCCc2ccc(Cl)cc21,0,GDB ChEMBL
320471,CC1CCCOC2C(=O)NC(=O)CN=C2OC1,0,GDB ChEMBL
165251,CC(=O)C12CC(C)C(C(=O)N1)C(C)C2,0,GDB ChEMBL
383928,C=CC1=C(C=O)C2CCC(=O)N2C1,0,GDB ChEMBL
332422,N#CC1(CC(CC([NH3+])CO)C(=O)[O-])CN1,0,GDB ChEMBL
259456,OC1CC=C(COC2CC2)C1,1,GDB ChEMBL
309199,CC12C[NH2+]C(CC1(O)C(O)C#N)C2C(=O)[O-],0,GDB ChEMBL
33319,CCC1CC2CN(C)CC(O2)C(C=O)C1CC,0,GDB ChEMBL
24034,CC1=CCc2ccc(F)cc2N(CCO)C1,1,GDB ChEMBL
177112,CCC1OC1C1C[NH2+]C(C(C)=O)C1C,0,GDB ChEMBL
362687,CC(C)(O)CCCC(=O)[O-],1,GDB ChEMBL
127860,CC(O)CCC1C2CC(C)(O)CC1C(C)C2C,0,GDB ChEMBL
308208,C#Cc1c(F)cc(C)c(C#N)c1C#C,1,GDB ChEMBL
330763,CC([NH3+])C1CCC(C(=O)[O-])=C(N)C1C,0,GDB ChEMBL
261194,C#CC(C(C)OC(CO)CC(=O)[O-])S(N)(=O)=O,0,GDB ChEMBL
148531,NC(=O)C1OCC(=O)C(O)C1O,1,GDB ChEMBL
337825,[NH3+]CCC1=Cc2ccc(F)nc2OC1,0,GDB ChEMBL
189742,Cc1cc(S(N)(=O)=O)nc(N)n1,1,GDB ChEMBL
3930,C#CCC12CC(C)C(OC)(C[NH+]1CC)C2,0,GDB ChEMBL
207920,Clc1ncc2c(n1)CC1(CCO2)CC1,0,GDB ChEMBL
65605,CCOC(=O)C(=O)C(O)C(=O)OC,1,GDB ChEMBL
341853,N#CC1C2CN(C(N)=[NH2+])C1C(O)CO2,0,GDB ChEMBL
83131,C[NH2+]C1CC(=O)NC1CC[NH3+],0,GDB ChEMBL
335524,C#CC(CO)(CC[NH3+])C1(C)CCCNC(=[NH2+])N1,0,GDB ChEMBL
159738,C[NH+](C)CC1C(O)CCC(=N)OC1C#N,0,GDB ChEMBL
355414,CCCC(CO)Cc1cc(C)c(C)o1,1,GDB ChEMBL
332702,C#CCC1C[NH+](C)CC2(C)CCCC2CCO1,0,GDB ChEMBL
133000,NC(=O)CN(Cc1ccon1)C(=O)CO,1,GDB ChEMBL
215320,CC12C=C(CC[NH3+])CC(CC[NH2+]C1)CC2,0,GDB ChEMBL
314109,COC1CC2(C)OC2C(CCO)C1[NH3+],0,GDB ChEMBL
287314,CC(O)C(NC(=O)N(C)C)C(O)C(N)=[NH2+],0,GDB ChEMBL
83531,C#CC(CNC(C)=O)C1(C)C=CC2CC21,0,GDB ChEMBL
281211,CCC(C[NH3+])NC(=[NH+]C)OC[C-](C#N)C#N,0,GDB ChEMBL
40334,CCC(CC)[NH+]=C(N)CC(O)CO,0,GDB ChEMBL
310783,C#CCc1cc(C(=[NH2+])N(C)C)c(C)cc1C=O,0,GDB ChEMBL
177277,CC1COC(COS(N)(=O)=O)C1O,1,GDB ChEMBL
3974,NC(C[NH3+])C1NC(=O)C2C(CS(N)(=O)=O)C12,0,GDB ChEMBL
149991,CC12C[NH+]=C(NCCO)C(CNC(=O)C1O)C2,0,GDB ChEMBL
40356,CCCC1(C2=NCCO2)CC1,1,GDB ChEMBL
76950,Cc1cc(C[NH3+])c(CCC2CC2)nc1Cl,0,GDB ChEMBL
284737,CC(C)(O)c1c(C2(C)CC2)ccnc1F,1,GDB ChEMBL
177309,CC([NH3+])C(O)CC1(CNC(N)=O)CO1,0,GDB ChEMBL
110189,[NH3+]CCC1OC(=O)C2COCC12[NH3+],0,GDB ChEMBL
222828,CCc1cc(C)cc(C(O)C(F)(F)F)c(=[NH2+])c1,0,GDB ChEMBL
201676,OC1CCCCCC12C=CCO2,1,GDB ChEMBL
330952,C1C[NH+]2CC3(COC3)CC2CN1,0,GDB ChEMBL
266196,CC1C[NH+](C(C)CO)C2C=CC1C2O,0,GDB ChEMBL
296403,CNC(=O)C(OC=O)C1CN1C(N)=O,0,GDB ChEMBL
247232,O=C([O-])C1NS(=O)(=O)CC2CC21,0,GDB ChEMBL
222860,CCC(CO)CC(=O)C12CC1CC[NH2+]2,0,GDB ChEMBL
337839,CC(C)C1CC2CCCC3CC3C1(C)C2,0,GDB ChEMBL
247611,N=C(OC(=O)C(=O)N1CCC1)c1cnn[n-]1,0,GDB ChEMBL
70888,C[NH+](CC1COC1)C1C(N)C1N,0,GDB ChEMBL
165946,CC(C)OC(=O)C(C)(C)C(N)=[NH2+],0,GDB ChEMBL
48105,Cc1ccc2cc(Cl)c(C3CCOC3)cc2c1,1,GDB ChEMBL
333617,[NH3+]C(C1=NCCO1)C1CC1,1,GDB ChEMBL
316118,CC1CC=CC2C(CCO)C12,0,GDB ChEMBL
382585,C#CC[NH+]1CCC2CC1C(O)(C#C)C2NC=O,0,GDB ChEMBL
72032,C=CC(NC(C=O)CCC)=[NH+]CC,0,GDB ChEMBL
275649,O=CCC(O)C1CC1,1,GDB ChEMBL
228456,CC1C=CCCC2(C)C1CC(C)C2(C)C,0,GDB ChEMBL
312561,CN1CC2CC1(C1CCOC1)C[NH2+]2,0,GDB ChEMBL
67871,COC(C)C1C2CCC1[NH2+]2,0,GDB ChEMBL
62053,C#Cc1cc(O)c(C(F)(F)F)c(C)c1Cl,1,GDB ChEMBL
127148,CCc1nc(NC)nc2c(Br)c(Br)ccc12,1,GDB ChEMBL
208435,CC1NC(=Nc2ncns2)COC1=O,0,GDB ChEMBL
252584,CC(C)C(=O)C(C)NC(C)c1cccnc1F,1,GDB ChEMBL
238141,CC#CC1C(C(=O)C(=O)[O-])N1C(N)=[NH2+],0,GDB ChEMBL
45712,CC1CCOC2CCN(C(C)C#N)C1C([NH3+])C2,0,GDB ChEMBL
374350,CC1=CCCCC2(C=CC(=O)O2)C[NH2+]C1,0,GDB ChEMBL
212564,COC(=O)CC(N)c1ncon1,1,GDB ChEMBL
334673,Nc1cnc(C23COCCC2C3)cc1F,0,GDB ChEMBL
87034,C#CC1CC(C)(Cc2ccc(Cl)cc2)C1,1,GDB ChEMBL
83544,CC(O)C1CCN(C)C2C=CC1[NH2+]C2,0,GDB ChEMBL
265258,CCC12CC=CCC1CCC2C(C)C,0,GDB ChEMBL
161922,C#Cc1cccnc1N(C)C,1,GDB ChEMBL
187183,C=C(C)C(C)C=CN(C=O)CCC,1,GDB ChEMBL
160804,C[NH2+]Cc1cc(I)cc2[nH]c(C)c(C)c12,0,GDB ChEMBL
332667,CC1CCC2[NH2+]C3CCCC3C12,0,GDB ChEMBL
127156,C#CC1OCCC2C1N2CC(=O)[O-],0,GDB ChEMBL
193269,CC1(C)C=CCOCC(O)C[NH2+]1,0,GDB ChEMBL
190271,CCC1C=C(C)CC(C)(C(F)(F)F)CC1,0,GDB ChEMBL
297232,CC#CC1CC(C#CCCCCC)C1,1,GDB ChEMBL
151076,CCCC1CC2CCC(C1C)C(C)(C)C2,0,GDB ChEMBL
126992,C#CCC(C(C)CC#N)C(C)(C)OC1CC1,0,GDB ChEMBL
354346,CC1CC(C(=O)[O-])C(C#N)(OCC(=O)[O-])C1O,0,GDB ChEMBL
120845,CC1CC2(C1)CC(C)C(=O)N2C,1,GDB ChEMBL
56647,CC1NC(=[NH2+])C(CCC(=O)[O-])C(C#N)OC1=O,0,GDB ChEMBL
183500,COC(CO)C1C([NH3+])C1(C)C(N)C(N)=O,0,GDB ChEMBL
242971,COC(=O)N1C2CC1C1COCC12,0,GDB ChEMBL
275661,CCC1CC=CC(C)C1[NH+]1CC(N)C1,0,GDB ChEMBL
386150,N#CC(CS(N)(=O)=O)N=C(C[NH3+])NCCC[NH3+],0,GDB ChEMBL
135795,CCC1C[NH+]2CCC(CC2)C(C=NO)N1C,0,GDB ChEMBL
146050,C=CC[NH2+]C1(CCC)CCC1C=O,0,GDB ChEMBL
251474,Nc1ncc(OC(=O)NCCO)nn1,1,GDB ChEMBL
187221,CC1CCC(CCc2ccc(Br)cc2)CC1,1,GDB ChEMBL
136675,COC1CCC2(C)C(C(C)C)C12,0,GDB ChEMBL
333620,CCCCC1OC(C#N)CC(C[NH3+])NC1=[NH+]C,0,GDB ChEMBL
105102,[NH3+]CC(C[NH2+]CCO)OCC#CC(=O)[O-],0,GDB ChEMBL
340437,C#CC12OC(C)C(CCC)C1C2(C)C,0,GDB ChEMBL
395660,CC1(CO)CC([NH3+])C2C(C[NH3+])C21,0,GDB ChEMBL
33138,C[NH+]1CC2CCCC1C(C)(C)C(C)(C)O2,0,GDB ChEMBL
104979,COC(=O)NCC(C(N)=O)S(N)(=O)=O,1,GDB ChEMBL
300475,COC1C2OCC1(O)C(C([NH3+])C(=O)[O-])O2,0,GDB ChEMBL
212575,COC1CCCC2C=CC(C)C21,1,GDB ChEMBL
390514,[NH3+]CC1C2NC(=O)[N-]S(=O)(=O)C(CO)C12,0,GDB ChEMBL
38920,CCC1C(C)=CCCCC1C1CC1,0,GDB ChEMBL
330548,NC(=O)NC(C[NH3+])C1CC1([NH3+])CC(=O)[O-],0,GDB ChEMBL
318054,COC12C[NH+](C)CC3(C)CCC(CC1C)C32,0,GDB ChEMBL
391475,Cc1[nH+]ccc2c1CCC=C1C=CCC1O2,0,GDB ChEMBL
58460,CN1CC(O)C([NH3+])C1C([NH3+])CCO,0,GDB ChEMBL
44558,CCCCC1OC(CCCC)C1CC(C)C,0,GDB ChEMBL
182252,C=CC(=O)CCn1ccc(C)c1C,1,GDB ChEMBL
311678,COCC(C)CC1C=C(CCO)C2[NH2+]CC12,0,GDB ChEMBL
83132,CCC(C)CCC#CCCOC,1,GDB ChEMBL
67563,CC1CCCCC1C1(C)C=CC=C1,0,GDB ChEMBL
12786,COCC(O)COC(=O)NC(N)=O,1,GDB ChEMBL
366064,CC[NH+]1C(C)CC2C(C(C)C)C(C)CCCC21,0,GDB ChEMBL
181152,C#CCC[NH+]=C(c1cc(Br)ccc1C)N(C)C,0,GDB ChEMBL
239386,CC(C)N(C=[NH2+])C1CCC(=O)OC1,0,GDB ChEMBL
127658,CC1C2CCC3CC2C[NH+]31,0,GDB ChEMBL
157705,CCN=C(OC)N(C(=N)NCC)C(=O)C(C)O,1,GDB ChEMBL
127461,CCCC#Cc1cc(Br)c(C)cc1Br,1,GDB ChEMBL
372139,CC1C2C=CC3CC2CC[NH+]31,0,GDB ChEMBL
115571,CC1C(C#N)C(C)(O)C2CCCN1C2,1,GDB ChEMBL
19670,[NH3+]C1Cc2cncc(O)c2C1,0,GDB ChEMBL
358111,CC#CC(C)CC(CC)C(C)[NH2+]C,0,GDB ChEMBL
287042,COCC1C=CC([NH3+])C(C(C)OC)C1,0,GDB ChEMBL
384278,CCN1CC([NH2+]C)CC2C=CC1CC2CO,0,GDB ChEMBL
263503,CC12CC3CCCC(C3)C1C2CC#N,0,GDB ChEMBL
62583,NC(=[NH2+])NCCCC1(C(=O)[O-])CCCO1,0,GDB ChEMBL
333093,CC[NH2+]CCNCC(O)C(=O)OCC,0,GDB ChEMBL
119632,CC12CC=CCNC(=O)C1C2,1,GDB ChEMBL
131857,CNC1=[NH+]CC(=O)N(C)CCC1C,0,GDB ChEMBL
260152,CCC1C(CC=O)CC2CCCCC21,1,GDB ChEMBL
357667,COc1nocc1OCC(C)=O,1,GDB ChEMBL
98894,CC1CC(C(C)(C[NH3+])C(N)=O)OCC1(C)[NH3+],0,GDB ChEMBL
387095,CCC[NH+]1CC2(CO)CC1C1(O)C(O)C21,0,GDB ChEMBL
288153,COCC1CC(C)(C#N)C(O)C(O)C1[NH+](C)C,0,GDB ChEMBL
316256,CCC1C(C)CC(C)CC[NH+]2C1CCC2(C)C,0,GDB ChEMBL
112811,CCCCOC(=O)CC(O)CC[NH+](C)C,1,GDB ChEMBL
183424,Clc1cc(Cl)c2c(c1Cl)CCCC=C2,1,GDB ChEMBL
179285,CCC1C(C)CC2[NH+]1CCCC2(C)C[NH3+],0,GDB ChEMBL
274016,CCC([NH3+])C1(OC(CO)C(=O)[O-])COC1,0,GDB ChEMBL
70897,CCCC1(C)C2CCC=CCC2C2[NH2+]CC21,0,GDB ChEMBL
317773,Cc1nc(N=CN(CC(C)C)C(N)=[NH2+])n(C)n1,0,GDB ChEMBL
299956,CC(O)C1NC2(C(=O)[O-])C(=O)NC1C2[NH3+],0,GDB ChEMBL
355353,C[NH+]=C(N)NCC(C)(C)C1CN1CC[NH3+],0,GDB ChEMBL
9811,N#CC1CC2CC(O)CC2C1,1,GDB ChEMBL
225451,N#CCC1C(O)(CO)C1(C(N)=O)C(N)=O,0,GDB ChEMBL
338997,C[NH+]1CC(NC=O)C2(CCC1(C)C)CO2,0,GDB ChEMBL
186771,CC1(C)C(O)C2CCCC[NH+]21,0,GDB ChEMBL
22816,CC(=CC1C2CCC(C2)C1[NH3+])CO,0,GDB ChEMBL
248628,N#CC1OC1CC(C[NH3+])CNC=O,0,GDB ChEMBL
17561,CC1C2CNC(=O)C3C1N3C(C)C2,0,GDB ChEMBL
277462,CC(C=O)[NH2+]CCC(C)(C)CCC1CC1,0,GDB ChEMBL
180016,CNS(=O)(=O)C1C(=NO)CC(OC)C1(C)C#N,0,GDB ChEMBL
171894,O=C1OC2CC3[NH2+]C2C1CC3O,0,GDB ChEMBL
149309,CN(C)c1cc(-c2cnn(C)c2)nn1C,1,GDB ChEMBL
309837,NC1C(=O)OC(C([NH3+])C(=O)[O-])C(O)C1O,0,GDB ChEMBL
188499,CCCC(O)C1([NH3+])C=CC(C)C1,0,GDB ChEMBL
124265,CCCc1c(C)ncc(NC(C)C)c(O)c1=O,1,GDB ChEMBL
135849,NC(=O)C1CC([NH3+])C2OC(=[NH2+])NC12,0,GDB ChEMBL
395663,CNc1nsnc1N1C(=O)C(O)CC1C#N,1,GDB ChEMBL
288690,CC(C)C(O)C1CCC2CCCC21C,1,GDB ChEMBL
391638,CC(CO)N(C)C(C)(C(N)=O)C(C)S(N)(=O)=O,0,GDB ChEMBL
199062,C[NH2+]C(C)C1=CC(C)CCC1,0,GDB ChEMBL
190389,COC(=O)NCC(C#N)[NH+]=CN,0,GDB ChEMBL
286179,CCC1C(=CCC(C)C)C=CC1C,1,GDB ChEMBL
334433,O=C1CC(O)C(O)C(C2CC2CO)N1,0,GDB ChEMBL
374369,C[NH+]1CCCc2cc(ncn2)COC(C)(C)C1,0,GDB ChEMBL
181136,C#CC1CC2CCc3cc(I)ccc3C1C2,0,GDB ChEMBL
296285,CC1(CC(N)=O)[NH2+]CCC12C(N)C2N,0,GDB ChEMBL
397942,CC(C)(C)C1OCCC=C1C#N,0,GDB ChEMBL
276069,CC[NH2+]CCc1ncc(C(C)C)cc1Cl,0,GDB ChEMBL
26895,CCC1C[NH+]2CC(CC3CCCC3)C1(C)C2C,0,GDB ChEMBL
112498,CC(C)C(=O)c1cc(CO)ncc1I,1,GDB ChEMBL
322945,CC([NH3+])CC(O)C(C)C(C)(C)[NH3+],0,GDB ChEMBL
348714,C[NH2+]CCC(O)COC(N)=[NH2+],0,GDB ChEMBL
305997,CCCCC1C#CC(=O)CCOCC1,1,GDB ChEMBL
316110,CCC(O)CC(C)([NH3+])C(CC)Nc1ncco1,0,GDB ChEMBL
87639,NC(=O)C1(N)C(NCC(=O)[O-])C1(N)C[NH3+],0,GDB ChEMBL
371684,CCC1OCCC1(C)CC(=O)c1ncnn1C,0,GDB ChEMBL
273952,CCC#CC12CC(C[NH+](C)C1CCC)C2,0,GDB ChEMBL
66633,CNc1c(C(O)C(C)[NH3+])cc(=O)oc1C[NH2+]C,0,GDB ChEMBL
251814,CC[NH2+]C1(C)CC#CC[NH+]2CCC(C2)C1,0,GDB ChEMBL
382482,Nc1cc(=O)c(O)cnc1CNC=O,0,GDB ChEMBL
25218,CC(C)(C)C1CC2CCCC1CC2=O,0,GDB ChEMBL
118176,CC(C)CCCC1CC2C=CCC1[NH2+]C2C,0,GDB ChEMBL
311663,C1OCC1CN1CCC1C[NH2+]C1CC1,0,GDB ChEMBL
254236,[NH3+]CCC(C(=O)[O-])C1C2NS(=O)(=O)C1C2O,0,GDB ChEMBL
274653,CCC(C[NH2+]C)C(=O)C(CC#N)c1cccs1,0,GDB ChEMBL
363764,N#CC12C(=N)OC1CNC2CC(N)=O,0,GDB ChEMBL
46937,C#CC(CC)(CCC(C)C)C(C)(O)CCCO,0,GDB ChEMBL
115297,CCC1CC2C(C)C=C3CCCC1C32,0,GDB ChEMBL
18688,Cc1[nH]cc([O-])c1C(=[NH2+])N(C)C(C)(C)C,0,GDB ChEMBL
349677,CC(=O)C1C(NS(C)(=O)=O)C(O)C2OC21,0,GDB ChEMBL
232073,NC(CO)C1=NC2C(=O)NC(C(C[NH3+])O1)C2O,0,GDB ChEMBL
271528,CC1c2cccc(C#N)c2C2C=CCCC12,0,GDB ChEMBL
157679,CC1CC2CCC[NH+]2CCC2C=CC1C2C,0,GDB ChEMBL
81795,CC(NC(=O)C(CC#N)=N[O-])C(=O)CO,0,GDB ChEMBL
352621,C#Cc1csc(C2CC2)c1,1,GDB ChEMBL
361663,CC1(O)C(C(=O)[O-])C(N)=[NH+]CC1(C)C(O)CO,0,GDB ChEMBL
264940,CCCC1C=C(C)C(CC)OCC1C,0,GDB ChEMBL
155151,NC(=O)c1c(N)nc(C=O)nc1O,1,GDB ChEMBL
383302,CC1C2CC[NH2+]C(C)C(C)(C2)C1CCCC#N,0,GDB ChEMBL
225881,CCC(=O)N1C2C[NH2+]C(C)C1(C)C(C)C2,0,GDB ChEMBL
60643,N#CCc1csc(Cn2cnc(C(N)=O)n2)n1,1,GDB ChEMBL
273463,COC1C(O)C2C[NH2+]C1C2CS(N)(=O)=O,0,GDB ChEMBL
195565,COC(C)C(C#N)C(C)C[NH3+],0,GDB ChEMBL
273659,COc1csc(C)c1CCOC(N)=O,1,GDB ChEMBL
217030,Cn1ccc(CC2(C#N)CC2)c1,1,GDB ChEMBL
9768,C[NH2+]CCC1C(C)CC1CO,0,GDB ChEMBL
18370,C#Cc1cc(Cl)c(CC[NH3+])c(Cl)c1,1,GDB ChEMBL
101543,C[NH2+]C1CC2CC3NC(=O)C2C31,0,GDB ChEMBL
10614,C[NH2+]CC(C)NCCNC1CC([NH3+])CC1[NH2+]C,0,GDB ChEMBL
85047,CNc1noc2cc(C#N)nc(N)c12,1,GDB ChEMBL
292215,C#CCCOCC1(CC)CC=CC(C)C1,1,GDB ChEMBL
136539,COCC([NH3+])CC#CC(=O)NC=O,0,GDB ChEMBL
177280,CC(C#N)(CO)COCc1cccc(F)c1F,1,GDB ChEMBL
126929,CCc1nc(N=C(C)NCC(N)=O)no1,1,GDB ChEMBL
51338,CCCC1=CC(O)C([NH2+]C)CC(C#N)=C1,0,GDB ChEMBL
353934,CCCC(CO)C1(O)CCOC(C#N)C(O)C1,0,GDB ChEMBL
99634,FC(F)(F)C1CCC2CN1C2,1,GDB ChEMBL
375513,CC(O)C[NH2+]CC(OC(C#N)CO)C(C)(C)O,0,GDB ChEMBL
132193,NCC[NH2+]C1C2CCCC3(C2)CC13,0,GDB ChEMBL
54846,CCc1cc(CC)c2c(c1F)C1CC(C2)C1,1,GDB ChEMBL
51341,Cc1ccc(CCC(C)C)c(Cl)c1C(C)(C)C,1,GDB ChEMBL
260691,CC(=O)N(C(=N)N)C1CC=CC1,1,GDB ChEMBL
130464,CC(CO)C1C2CC1C1CCCC12,0,GDB ChEMBL
150526,NC1=[NH+]C2C(=O)NC(=O)C2[NH+]=C(N)N1,0,GDB ChEMBL
219555,CCCCC1C2OC1C2OC,1,GDB ChEMBL
53088,CC[NH2+]CC1(C)CC(CO)C1,0,GDB ChEMBL
208380,CCC1C=C(C)C(C)=CC(CNC(N)=O)O1,0,GDB ChEMBL
239986,CCc1ccc(CC(C)(C)C[NH2+]C)c(I)c1C,0,GDB ChEMBL
386698,C#CC(NC=[NH2+])(C(N)=O)C(CC[NH3+])N(C)CC,0,GDB ChEMBL
96060,CC1CCC(C#N)C(=O)C1O,1,GDB ChEMBL
277792,CCC(C)CC12CCC(=O)C1C2C[NH2+]C,0,GDB ChEMBL
17093,CC1NC(=O)C2C1(CC(=O)[O-])NS2(=O)=O,0,GDB ChEMBL
161958,CC1=CCCCCC(C(C)C)C(C)(C)CC1,0,GDB ChEMBL
255428,CC1CC2C(CO)[NH2+]CC12C,0,GDB ChEMBL
275701,Nc1ncc(C([NH3+])COCC(=O)[O-])o1,0,GDB ChEMBL
169109,N=C1OCCOC(=O)N1CC[NH3+],0,GDB ChEMBL
115768,CCN1CC2[NH2+]C(CO)C3OC(C1)C23OC,0,GDB ChEMBL
368552,C[NH2+]CC1C(NC(N)=[NH2+])C(N)C(O)C1C(=O)[O-],0,GDB ChEMBL
132845,CCc1cccc(I)c1CC1C[NH+]=C(CO)N1,0,GDB ChEMBL
119828,CC(C(CO)=N[O-])n1cnc(CCCO)c1,0,GDB ChEMBL
325926,CCCCC1C[NH+](C)CC2(CC)CC1C2,0,GDB ChEMBL
51865,CC(C)([NH3+])CC1CNC(=O)C(C(N)=O)C1,0,GDB ChEMBL
319846,COC(=O)C(C)C1(C)CN(C(N)=O)C1=O,1,GDB ChEMBL
129835,C=C1CNCC(C)(CO)N(C)C1=O,1,GDB ChEMBL
188090,C[NH2+]C1CC1(C)C(OCC(C)C[NH3+])C(C)O,0,GDB ChEMBL
382962,C#CC1=CC(CC)(CCCC(F)(F)F)CC1,0,GDB ChEMBL
76749,CC1CC2(C(N)=O)C(C(=O)O1)N2C=O,0,GDB ChEMBL
93763,Cc1cc2c(cn1)C(C)(CC#N)NC2,1,GDB ChEMBL
187247,CC(=O)Cn1nc(N)n(CCO)c1=O,1,GDB ChEMBL
354808,CC1CCC=CCC=C1CC(F)(F)F,1,GDB ChEMBL
133181,CCOC1CCCC(C)(CC)C1CC,1,GDB ChEMBL
254868,C[NH2+]CC1CC12CC=CCC2,0,GDB ChEMBL
299168,C#Cc1ccc2ccc3c(Cl)cccc3c2c1,1,GDB ChEMBL
278892,CCCC(OC(C)C)c1c(Br)ccc(Br)c1Br,1,GDB ChEMBL
201097,C#CC(CC(C)(C)C(C)(C)CC)C(CO)OC,0,GDB ChEMBL
36050,C[NH+]1CCC2(O)C3C=CC2(C1)OC3,0,GDB ChEMBL
275631,C#CCn1c[nH+]cc1NC(CO)CO,0,GDB ChEMBL
297053,C#CC(C(C)C)C(O)(C[NH2+]CC)CC(N)=O,0,GDB ChEMBL
179108,NCC(=O)OC1OCC(O)C1O,1,GDB ChEMBL
20128,CC1C[NH+](CCC(C)(C)[NH3+])C(C)C1N(C)C=O,0,GDB ChEMBL
35667,C=CCC1(C)CC2CCC1CCO2,0,GDB ChEMBL
377805,CC1[NH2+]C(C)C2(C(F)(F)F)CC(=O)C1C2,0,GDB ChEMBL
304283,CCCCC1CC2[NH2+]CC(C#N)C2O1,0,GDB ChEMBL
33903,CCCC12C(=O)COC1CC2C[NH2+]C,0,GDB ChEMBL
305522,CC1=CC([NH3+])C(C)(C)CCC1O,0,GDB ChEMBL
63123,CC1CCC2C(CCCCCCC2(C)C[NH3+])C1,0,GDB ChEMBL
352719,NS(=O)(=O)CC12CN1CCNC2=O,0,GDB ChEMBL
261386,CC(O)C(CO)C(O)C([NH3+])CO,0,GDB ChEMBL
365716,CNc1c(C)c(CC2(O)CC2)nn1C,1,GDB ChEMBL
98619,CCC1(C(O)CCC=O)OC(=O)C(CO)C1C,0,GDB ChEMBL
119278,CC(N)C(NC(N)=[NH2+])C(N)(CO)C(N)=O,0,GDB ChEMBL
44648,CC1OC(C)(C(C[NH3+])C([NH3+])C(=O)[O-])C1[NH3+],0,GDB ChEMBL
377319,CC(C#N)CNC(N)=[NH+]CCS(=O)(=O)[O-],1,GDB ChEMBL
118840,COc1cc(O)cc2c(I)cc(I)cc12,1,GDB ChEMBL
195470,CCCCCCOC(CC)(C[NH2+]C)C(=O)C#N,0,GDB ChEMBL
369287,CC(=O)N1CC2(CNc3ncnn32)C1,0,GDB ChEMBL
261160,C[NH2+]C1CCCCC(C)(C)C2CCC(CO)C12,0,GDB ChEMBL
374213,c1cnn(C23CC[NH+](C2)C3)c1,0,GDB ChEMBL
254969,CCCC1CC(C)C2CC=CC1C2(C)C,0,GDB ChEMBL
288162,CNC(C(=O)OC)C(C(N)=O)S(N)(=O)=O,0,GDB ChEMBL
70789,CC(=O)NC(c1nnn[n-]1)C1(O)CC1O,0,GDB ChEMBL
375580,C#CCN(CCOC(N)=[NH+]C)C(N)=[NH+]C,0,GDB ChEMBL
38609,C=CC1CC(C)CC=CCCC1O,0,GDB ChEMBL
189875,N#Cc1nnc(N)c(OCC(=O)[O-])c1N,1,GDB ChEMBL
94600,C#CCN1c2cccc(F)c2C2CC1C2,1,GDB ChEMBL
151783,CC[NH2+]C(CC)(C[NH2+]C)C(C)C,0,GDB ChEMBL
118450,C#CCNC(=O)CC1(C)CC(CC=O)C1,0,GDB ChEMBL
70823,C#CCCCCCc1c(Br)cc(C)cc1C=O,1,GDB ChEMBL
274110,COCC1NC(=O)C1(C)CC[NH3+],0,GDB ChEMBL
214450,C#Cc1cc2c(c(Br)c1C)CCC2CC,1,GDB ChEMBL
149339,CC(CC#N)C1CC([NH3+])CO1,0,GDB ChEMBL
371727,C#Cc1ccc(C(C)CC)cc(=O)c1,1,GDB ChEMBL
33512,[NH3+]C1CCC=CC2CC(=O)OCC1(O)C2,0,GDB ChEMBL
350912,CC1(C(N)=O)COC(=O)C(C#N)C(CO)N1,0,GDB ChEMBL
94643,CC1(O)CC[NH+]2CC=CC2C1,0,GDB ChEMBL
216452,CC1C2C=CC1C2(C)c1ccccc1,0,GDB ChEMBL
289843,CC1CC[NH2+]C2CCCC(C)C(CC1)C(C)C2,0,GDB ChEMBL
366915,CC1(C2C([NH3+])CC3CC3C2O)CCCO1,0,GDB ChEMBL
388465,CC1[NH2+]C2CC3C(CC[NH3+])C13C2,0,GDB ChEMBL
392770,COCC(C(C)=O)C1CS(=O)(=O)CC1O,0,GDB ChEMBL
104478,CC#CC1(OC)CNC(=O)C(O)CC1C,0,GDB ChEMBL
111617,CC12C(O)CC(C(=O)[O-])C1N2C(N)=[NH2+],0,GDB ChEMBL
309805,CC1CC(CO)CC1C,1,GDB ChEMBL
165632,CC1C=CC=CCCC(C)(C)C1=O,1,GDB ChEMBL
304483,CCC1CC[NH2+]C1C1(CC(C)C)CCC1,0,GDB ChEMBL
104466,CCCCC1[NH+](C)C(C=O)CC1(C)CCCC,0,GDB ChEMBL
386392,C#Cc1c(COCC)c[nH]c1OC(C)CCO,0,GDB ChEMBL
26848,CC1C[NH+]2C3CCC2C1NC3,0,GDB ChEMBL
323978,CC(C)C1CS(=O)(=O)CN1C(N)=O,1,GDB ChEMBL
165942,NC(=O)C1C2CC2C2C(O)CS(=O)(=O)N12,0,GDB ChEMBL
367618,CCC(=O)OC(C)(C)CO,1,GDB ChEMBL
112574,CCC(C)(O)C1CC2[NH2+]CCC2NC1=O,0,GDB ChEMBL
324009,CC1CC(O)C([NH3+])COC(=O)O1,1,GDB ChEMBL
275673,CC1=CCC(=N)NC(=O)C1O,1,GDB ChEMBL
292691,C#Cc1c(Cl)ccc2c1C(CC)CC21CC1,1,GDB ChEMBL
141834,C#CCCCc1cc(CCC)n(C(=O)OC)c1,1,GDB ChEMBL
378902,C#CC(COC)C12CCC(C1)C(C)(O)C2,0,GDB ChEMBL
374172,CC12OC(C(CO)OC1=O)C(O)C2[NH3+],0,GDB ChEMBL
47766,CC1CCCC2CN=C(O2)C1C,0,GDB ChEMBL
350954,C#CC(c1cccc(Cl)c1Cl)C1CC1,1,GDB ChEMBL
363538,CCC1OCC(C)C[NH+]=C(N)CC1(C)O,0,GDB ChEMBL
139831,CCCS(=O)(=O)NC(C[NH3+])C(O)C1CO1,0,GDB ChEMBL
352803,O=C1NC2CC(O)C1C1C[NH2+]C21,0,GDB ChEMBL
140846,CCCCC(C)(C)CCC(C)(C)C(F)(F)F,1,GDB ChEMBL
292715,CCC(CC#N)n1nc([N+](=O)[O-])c(N)cc1=O,0,GDB ChEMBL
218362,N#CC1(OCC([NH3+])CCn2cncn2)CC1,0,GDB ChEMBL
73307,C#CCC1C[NH2+]C(CO)C1C=CC,0,GDB ChEMBL
45058,CCCC1(C)CCC=CC(O)C1O,0,GDB ChEMBL
243893,CC(O)C(C([NH3+])C(=O)[O-])C12CC1NC(=O)N2,0,GDB ChEMBL
9753,CC(O)C(CNC=O)CS(N)(=O)=O,0,GDB ChEMBL
294238,O=CC1CN(C2COC2)C(=O)N1,1,GDB ChEMBL
279097,C#CCC[NH+](C(C)C)C(C)C#C,1,GDB ChEMBL
62097,COC(=O)NC1CN(C=N)C1=O,0,GDB ChEMBL
132999,CCCC1(C)OC(C)C2CC1C(C(C)C)CO2,0,GDB ChEMBL
209729,CCC1CN(C=O)C(=O)CN1,1,GDB ChEMBL
37296,O=C([O-])C1=C([NH+]2CCC2)CCC1,0,GDB ChEMBL
148527,CNS(=O)(=O)CC1C2C(=O)NC(=N)N12,0,GDB ChEMBL
343935,[NH3+]C1CCCCC1(CCCO)C1CC1,0,GDB ChEMBL
271615,CCC1C2NC(=[NH2+])N(C(C)C)C12C(=O)[O-],0,GDB ChEMBL
288702,CC1[NH2+]CCC23CC(CC2C)C1O3,0,GDB ChEMBL
44604,C#CC1C(c2ccccc2)CCCC1(C)[NH3+],0,GDB ChEMBL
119261,COCCC([NH3+])CN1CC[NH+]=C1N,0,GDB ChEMBL
215883,CCCC1(C)C[NH2+]C2(C)C(=O)N(C)C(=N)C12,0,GDB ChEMBL
67842,Cc1ccnc2c1CC1=CC(CC2)C2OC12,0,GDB ChEMBL
24472,[NH2+]=CNCCCC[NH2+]CC1CC1,0,GDB ChEMBL
116618,C#CC1(Cc2ccc(CC)cc2F)CC1,1,GDB ChEMBL
241114,CCC1CC(C)CCC(C)C(C(C)C)C1,0,GDB ChEMBL
134791,CCC([NH3+])C12CC(C1)[NH2+]CCN2CC,0,GDB ChEMBL
356820,CCOC(C[NH+]=C(N)N)c1cccn1C(C)=O,0,GDB ChEMBL
25192,CCC1(C(=O)[O-])NCC(OC)C([NH3+])CC1C#N,0,GDB ChEMBL
119860,C#CC(O)C[NH+]=C(N)CCCCC,0,GDB ChEMBL
230490,CC(C)C1(c2nccc(Cl)c2C[NH3+])CC1,0,GDB ChEMBL
330913,CC1CC[NH+]2CCC(C)(C1)C1(CC1)C2,0,GDB ChEMBL
44345,CC1([NH3+])C(NS(C)(=O)=O)C(O)C1C(=O)[O-],0,GDB ChEMBL
328828,NC(=O)CNc1nc2c(s1)C(O)CO2,1,GDB ChEMBL
259113,CCC1CC2(C)CCC(CC2)C(C)(C)C1,0,GDB ChEMBL
337973,CC12CCCCC(CCC1([NH3+])CCO)C2,0,GDB ChEMBL
342333,O=C1CC(C(=O)[O-])[NH2+]Cc2cc[nH]c2C(=O)N1,0,GDB ChEMBL
299141,COC(=O)C1(O)C(N)C12OC(=O)[N-]C2=O,0,GDB ChEMBL
259337,CCc1cc(C)c2c(c1Cl)C1CC2C1,1,GDB ChEMBL
21573,CC(C)COCC1C=CCC(=O)N1,1,GDB ChEMBL
323987,CCCCC1(N)C[NH2+]C(C)(C)C1C(C)[NH3+],0,GDB ChEMBL
281044,COCCCCCc1ccc(C#N)nc(=O)n1,0,GDB ChEMBL
151170,CC(C)(C)C#Cc1cccc(C#N)c1F,1,GDB ChEMBL
194269,CC1=CC2CC(C)CCC2(C)C1C,0,GDB ChEMBL
381438,C[NH2+]CC(C)C1C[NH+](C)C(C)C(N)C1O,0,GDB ChEMBL
193330,O=C([O-])CCOC(=O)c1n[nH]c(=O)[nH]1,1,GDB ChEMBL
50132,C#CCc1c(C)ccc(F)c1CC(C)C,1,GDB ChEMBL
94611,CC1=CC[NH+](C)C(C(N)=O)CC12CC2,0,GDB ChEMBL
225329,COC12CC1C[NH+](CCO)C2,1,GDB ChEMBL
112786,O=C([O-])CCN=COCc1ccoc1,1,GDB ChEMBL
228800,CNC1=NC(C#N)(C(=O)[O-])C(OC)C(=O)[N-]C1,0,GDB ChEMBL
394329,CCC1=CN(C)C(C[NH3+])CNC1=O,0,GDB ChEMBL
64322,CC1(CC([NH3+])C(=O)[O-])C2COC1C(=O)O2,0,GDB ChEMBL
13809,CCOC(N)=NCC(=O)[N-]C(=N)S(C)(=O)=O,0,GDB ChEMBL
372674,CC(C)Oc1c(COC(N)=O)ccn1C,0,GDB ChEMBL
218826,CC1CN(C(C#N)CCO)C2(C)C1C2(C)C,0,GDB ChEMBL
196765,CCC1CCC(O)(CC[NH3+])C12C[NH2+]CC2CC,0,GDB ChEMBL
274385,CC(C[NH+]=C(N)N)C(C)(O)c1cn[nH]c(=O)c1,0,GDB ChEMBL
382990,C#CC(C=CC(=O)[O-])=C1CCCC1,0,GDB ChEMBL
320434,Brc1ccc2c(c1)C1C(C=C3CCCC31)C2,0,GDB ChEMBL
382201,CNc1cncnc(N)c[nH]c1COC(C)=O,0,GDB ChEMBL
59704,C=C(C)CN=CN(C=O)CCOC,0,GDB ChEMBL
235604,CC(=O)c1c([O-])cnc2c(c1=O)C(=O)NC2,0,GDB ChEMBL
362388,COCCC(CC#N)[NH+]=CN,0,GDB ChEMBL
275582,CNc1ccc(CC(C)(C)O)c(C)c1O,1,GDB ChEMBL
210762,COC1CC([NH3+])C(O)C(O)C[NH+]=CNC1(C)C,0,GDB ChEMBL
395163,CCCC1CC(C)C(C)CC12CCC(C)CC2,0,GDB ChEMBL
134779,C=CCOC1C(=C)CCC[NH2+]C1C,0,GDB ChEMBL
148174,CCC(C[NH+]=CN)OCCOC,0,GDB ChEMBL
350948,CC1CCCC2C[NH2+]C3C(C)OC1C23,0,GDB ChEMBL
61701,O=C([O-])C1CCC2CCC2[NH2+]1,0,GDB ChEMBL
300009,CS(=O)(=O)N1C(=N)NCC1C=O,1,GDB ChEMBL
47196,O=C1C=Cc2occc2C#CCO1,1,GDB ChEMBL
173121,CC(CO)N=COC(=O)NC(=N)N,1,GDB ChEMBL
244634,CC[NH2+]C1CC1(O)COS(N)(=O)=O,0,GDB ChEMBL
300732,C=CCNCC(=CC)C[NH+](C)CC,0,GDB ChEMBL
294226,C#CC(C)([NH3+])C1OC12CCC[NH+](C)CCC2,0,GDB ChEMBL
251438,CCC12C(O)CCCCCC=C3CCC1C32,0,GDB ChEMBL
201360,CC(C[NH+]=C(N)N)N(CC(N)=O)C(N)=O,0,GDB ChEMBL
172386,C#Cc1cocc(C(C)C)ccc(C)nc1=O,0,GDB ChEMBL
34780,CCN1CCCCCN=C(C)N(C(C)=N)C1=[NH2+],0,GDB ChEMBL
274920,CC#CCCn1cc(C)cc1C,1,GDB ChEMBL
354428,C#CC1=CCC(=C)C(C(C)CC)C1,0,GDB ChEMBL
363156,CC1C[NH2+]CCOC(C)C(C)[NH2+]1,0,GDB ChEMBL
259508,COC1(C)C[NH2+]C2CCC1C2C,0,GDB ChEMBL
1099,C#CC(=C)CNc1ccc(I)cc1,1,GDB ChEMBL
354599,CCC1[NH2+]CC2C(CC)(C[NH3+])OC(=O)C12CO,0,GDB ChEMBL
70293,OCC1(OC2CCC2)CC1,1,GDB ChEMBL
211109,CC1[NH+](C)CCC(C2OC2(C)C)CC1(C)C,0,GDB ChEMBL
151114,COC(C1C(C(C)[NH3+])C2CC[NH+]1C2)C(C)(C)C,0,GDB ChEMBL
112902,C#CCCC(CC1CC1)C1C(C)CCC1[NH3+],0,GDB ChEMBL
184646,CCc1ncc(CCO)cc1N,1,GDB ChEMBL
70155,CC1OCC2C3NC1C(=O)N(C)C23,0,GDB ChEMBL
372608,CCC1NC(=O)N(C)C12CC2,1,GDB ChEMBL
809,CC1COCCC([NH3+])C2C(CC[NH3+])N12,0,GDB ChEMBL
106643,CCc1cc2nccc(=O)cc2[nH]1,0,GDB ChEMBL
127694,CC12CCC3C(O)CC1NC(=O)C32,0,GDB ChEMBL
341898,CC(O)C1NC(CCO)C([NH3+])C(O)C1O,0,GDB ChEMBL
302460,COCCn1c(O)cc(CCO)c1C#N,1,GDB ChEMBL
66624,CC(C)(C)[NH2+]C1CC(C)(OCC[NH3+])C1,0,GDB ChEMBL
177189,N#CC(C#N)[N-]C(=O)OCCO,0,GDB ChEMBL
104443,C#Cc1cc(F)cc(NC)c1,1,GDB ChEMBL
178003,CC#CC(NC=O)C(C)(C)CC(F)(F)F,1,GDB ChEMBL
363528,CC1(C(N)C(N)=[NH2+])C(CO)NC(=O)C1N,0,GDB ChEMBL
210936,O=C1[N-]S(=O)(=O)Cc2sccc21,0,GDB ChEMBL
271371,NC(=[NH2+])c1cccocccc1C(N)=[NH2+],0,GDB ChEMBL
362958,COC1CC([NH3+])C2(Cc3nccc(F)c3N2)C1,0,GDB ChEMBL
150115,CC(=O)C1OC(=O)NC(CO)CC1(C)O,0,GDB ChEMBL
362965,N#Cc1c(CCC(N)=O)sc(CO)c([O-])c1=O,0,GDB ChEMBL
126641,CCCC1C2CCC(C1C)[NH+](C)C2,0,GDB ChEMBL
162526,Cc1cc(CC(=O)[O-])ccc1Br,1,GDB ChEMBL
385650,O=CN1CCNC(COCCS(=O)(=O)[O-])C1,0,GDB ChEMBL
281021,CCC1CC(C)C2(C)CCCCC2C1,1,GDB ChEMBL
115245,Nc1cc(=O)n2c(c1O)CCCCNC(=O)C2,0,GDB ChEMBL
359083,CC(C)CC1CCN(C)C(=O)C2(C)C(C)N12,0,GDB ChEMBL
95193,CNc1nnsc1NC(=O)NCCCO,1,GDB ChEMBL
78288,CCCCCC1C2CC1C(CCC)C2CC,0,GDB ChEMBL
334805,C[NH+]1C2CC3(C)CC(CC13)C2O,0,GDB ChEMBL
311679,C#CC[NH+](C)C1CC2NCC(C)(C1)C(=O)C2C,0,GDB ChEMBL
62112,CC(C)(O)CC[NH2+]CC=O,1,GDB ChEMBL
255357,[NH3+]CC(C([NH3+])C(=O)[O-])C(CO)c1ncnnn1,0,GDB ChEMBL
251895,Fc1cnc(CCOc2ccc[nH]2)nc1,1,GDB ChEMBL
148892,CCCNC(=O)OCC[NH3+],1,GDB ChEMBL
395963,CC[NH+]1CC=CC(O)CC2(C=CCC2)C1,0,GDB ChEMBL
338165,COC(=O)N1CC(O)C2([NH3+])COC2C1,0,GDB ChEMBL
354728,C=CC(=C)CCNC(=O)C1CC1C,1,GDB ChEMBL
83025,NC(=O)C1CC2CC3COCC32C[NH2+]1,0,GDB ChEMBL
133983,CCC1CC2C=CCCCCC3C2C13,0,GDB ChEMBL
65888,CCC(C)C1C2C=CC(O2)C1CC,0,GDB ChEMBL
189824,CC1=NC(C(=O)C(=O)[O-])CO1,0,GDB ChEMBL
298251,CCC(C#N)[N-]C(=O)S(=O)(=O)[CH-]C(=O)NC,0,GDB ChEMBL
115401,CNC(=O)C1NCC2(c3cscn3)C([NH3+])C12,0,GDB ChEMBL
196703,CCC1C(C(N)=O)C(C#N)C2(C)CC[NH+]1C2C,0,GDB ChEMBL
334416,CCCCc1nc(N(C)CCC)c(F)cc1F,1,GDB ChEMBL
98668,CCC1CC2=CC1C[NH2+]C(C)C(C)C2,0,GDB ChEMBL
61555,CC(C)c1nc(=[NH2+])[nH]c(NC(=O)CCO)c1N,0,GDB ChEMBL
317721,CCC1CC(CC(C)C(C)C)CCC1(C)C,1,GDB ChEMBL
380614,C#CCCCCN(CC#N)C(C)C#N,1,GDB ChEMBL
104627,C[NH2+]CC(CO)(CO)NS(=O)(=O)C(C)CC[NH3+],0,GDB ChEMBL
316116,CC12CC(O)C(CC1[NH3+])C2C#N,0,GDB ChEMBL
195574,C=CC(=C)C[NH2+]C(C=C)CCC[NH3+],0,GDB ChEMBL
382503,CC12CNC(=O)NCCC1(C(N)=[NH2+])OC2,0,GDB ChEMBL
121714,CC1CCC(CCCc2cccc(O)c2Br)C1,1,GDB ChEMBL
87002,CC(NC(=O)OCC1COCOC1=O)C(N)=[NH2+],0,GDB ChEMBL
243793,CC12CC3[NH2+]CCOC3C1C2O,0,GDB ChEMBL
100996,CCCC(O)C(C)(C=O)C1CN1CC,0,GDB ChEMBL
130185,CC1C=CC2CC(C1)CC1(CC1)C[NH2+]2,0,GDB ChEMBL
8752,CCN(C(=N)[N-]C(=O)OCC#N)C(N)=[NH2+],0,GDB ChEMBL
18665,CC(C)([NH3+])CC1OCC2C(CO)C12,0,GDB ChEMBL
354365,C[NH2+]CC1CC2([NH2+]C)CN1CC[NH2+]CCC2O,0,GDB ChEMBL
288507,C#CCOC(C)C(CC)C([NH3+])CC#N,0,GDB ChEMBL
192584,Cc1cc(COC2CC(C)(C)CC2C[NH3+])[nH]n1,0,GDB ChEMBL
16714,Cc1cc(Cl)c(=O)n(C)c1Cl,1,GDB ChEMBL
305102,CC1C(O)C(C(=O)[O-])OC1C([NH3+])C(=O)[O-],1,GDB ChEMBL
230430,CNC(=O)N1CC2OC(=O)C(C)(OC)C21,0,GDB ChEMBL
173149,CN(C)C(=O)C1CNC(=N)NC1=O,1,GDB ChEMBL
135820,NC1COC(=O)NC2C(=O)NC1C([NH3+])CC2O,0,GDB ChEMBL
343981,CC1CC2(CC([NH3+])C1CO)CN2C,0,GDB ChEMBL
21493,CC([NH3+])CC(=O)NC(=N)c1nn[n-]n1,0,GDB ChEMBL
149405,CC1CCC([NH3+])CN(C(=O)C(F)(F)F)C=N1,0,GDB ChEMBL
87652,c1cc2c(cn1)CC(=C1CCC1)CC2,1,GDB ChEMBL
61754,CC(=O)CCN(C=O)CCC1CC(C)(C)C1,1,GDB ChEMBL
112890,CC1C2C3CC2(O)CC3CC[NH+]1C,0,GDB ChEMBL
70785,COC(C)CC(CO)OCC=O,1,GDB ChEMBL
357661,Cc1c(N)n(C)c(=O)n(CC(C)[NH3+])c1=O,0,GDB ChEMBL
84884,CC1CC2C3CC[NH2+]C(C3)C2CC1(O)CC[NH3+],0,GDB ChEMBL
385394,CC1CCC(C[NH3+])C2OC2CC1C#N,0,GDB ChEMBL
203740,CCCC1CC(C)[NH2+]C2CC[NH+]1C2,0,GDB ChEMBL
81488,CCC(C)(C)C1CC2(CCCC1C)CC2,0,GDB ChEMBL
227532,CC1(O)CC(CC(N)=O)C1,1,GDB ChEMBL
388291,C=C(CC)C(C=CC=CC)COC,0,GDB ChEMBL
120565,CCC1CC1(CC)CCCCCOC,1,GDB ChEMBL
2111,CC[NH+]1CC(CC2=NCCO2)C1,1,GDB ChEMBL
286116,NC1=NC2C(O1)C(O)C(C(=O)[O-])C2(O)CO,0,GDB ChEMBL
278148,CC1[NH2+]CC(C[NH+](C)C)C1CC1(O)CC[NH2+]C1,0,GDB ChEMBL
197451,CC1(C)C(C(=O)[O-])N1CC[NH3+],0,GDB ChEMBL
208311,CC#CCC(=O)NC1(CO)C(C[NH3+])C1(C)C,0,GDB ChEMBL
61747,CCC(CNc1nn[nH]n1)OC,1,GDB ChEMBL
21552,CCn1cnc(S(N)(=O)=O)c1N,1,GDB ChEMBL
252595,C#CC(O)CN1C=NC(C(=O)NC(=N)N)C1,0,GDB ChEMBL
273699,CC#CCN(CC=O)C(C)C,1,GDB ChEMBL
33895,CC1CC2(C)CCC1OC2=O,1,GDB ChEMBL
44325,CCCCCC(C)C1=C(C)CCC1,1,GDB ChEMBL
248202,N#CCC(=O)NC(=O)NC(CO)CNC(N)=[NH2+],0,GDB ChEMBL
190042,C[NH2+]CCc1ncncc(C)c(C=O)cs1,0,GDB ChEMBL
331498,CC(=O)CCc1nc2cc(Cl)cnc2[nH]c1=N,1,GDB ChEMBL
354067,CCC(O)CCC1NCC2(CO2)C(C)C1=O,0,GDB ChEMBL
204625,CC1CC(C(=O)[O-])NS(=O)(=O)CC(CO)O1,0,GDB ChEMBL
339002,Cc1cc(CC2CC3C(C2)C3(C)C)[nH]n1,1,GDB ChEMBL
318018,Cc1cc(Cl)cc(C=O)n1,1,GDB ChEMBL
119663,OC1CC2C=CC13CCCCC23,0,GDB ChEMBL
310776,C[NH+]=C(c1cccc(F)c1)N(CC[NH3+])C(C)C,0,GDB ChEMBL
328913,COCCC[NH2+]C(C)C1=CCC([NH3+])C1,0,GDB ChEMBL
8740,CC[NH2+]CC1(NC(N)=O)C(N)C1C(N)=O,0,GDB ChEMBL
192569,Nc1ncc(NC(=[NH2+])NCCO)s1,0,GDB ChEMBL
339085,CCC1CC=CC(CC(C)C)C(C)[NH2+]1,0,GDB ChEMBL
198834,CC1=C(C#N)C(CO)(CO)NC1C(=O)[O-],0,GDB ChEMBL
376028,C#CCCC(C)CC(C#C)CC(C)(C)C,1,GDB ChEMBL
244319,CCCCOC1CC2N=C1NCC[NH2+]CC2N,0,GDB ChEMBL
202496,COC1(C([NH3+])C2C3C[NH2+]CC32)CC[NH+](C)C1,0,GDB ChEMBL
209435,CN(C)C(=O)c1cnc(CO)n1C(N)=O,1,GDB ChEMBL
174700,COC1C(N)=NCC([NH3+])C1C(=O)[O-],0,GDB ChEMBL
71681,C#CCCCC([NH3+])CO,1,GDB ChEMBL
312234,CC1OC(C[NH3+])CN2C(C(=O)[O-])C12,0,GDB ChEMBL
290006,NC(=O)C([NH3+])C1COC1CS(=O)(=O)[O-],0,GDB ChEMBL
119459,CCC1[NH2+]C(C(C)C)CCC1[NH3+],0,GDB ChEMBL
148923,CC(C)C1C2CCCC[NH2+]C21,0,GDB ChEMBL
284335,CNC1CC(CO)(C(C)O)C(C)OC1=O,0,GDB ChEMBL
288114,C#CC1(C)CCCC2CC(OC)CC(C)C21,0,GDB ChEMBL
207961,CC(C)(CCc1ccccc1F)CC(F)(F)F,1,GDB ChEMBL
181709,C[NH2+]C1CCOC(C(=O)C(N)=O)C1,0,GDB ChEMBL
36047,C[NH2+]CC1CC(C)([NH3+])C(C(O)CO)C1COC,0,GDB ChEMBL
304148,N=C1CN=C(c2c(Cl)ccc(O)c2N)N1,1,GDB ChEMBL
22003,CN(C)C1C2N(C(=O)CO)CC([NH3+])C12N,0,GDB ChEMBL
190371,CCC1C(C(C)=O)=CC(OC)C1C,0,GDB ChEMBL
318568,CCC1CCC(C)C(=O)C2CCCC12,1,GDB ChEMBL
284834,C=CC(=O)N1C(=O)NC(C)CC1C,1,GDB ChEMBL
288430,CC([NH3+])(CC(=O)[O-])CS(=O)(=O)[O-],0,GDB ChEMBL
38773,CC(CO)Nc1ncncn1,1,GDB ChEMBL
22800,CC(CCC1(C)CCCC1)CC1CC(C)C1,1,GDB ChEMBL
70341,C#CCCC1C(C)CC(C)(C(F)(F)F)CC1C,1,GDB ChEMBL
332432,CC(CC(=N)NC(=O)C[NH3+])c1ccn[nH]1,0,GDB ChEMBL
164672,C[NH+]1CCC(C)(CCCC=O)C1,0,GDB ChEMBL
340143,[O-]c1cc(CO)csccnc1O,0,GDB ChEMBL
240811,CC#CC1=C(CC)c2cc(C)ccc2OC1,0,GDB ChEMBL
199077,Nc1cc(CC2CC2)c(F)c(F)c1O,1,GDB ChEMBL
328906,NC(=O)NCC1CS(=O)(=O)NC1C(=O)[O-],0,GDB ChEMBL
225080,CC(CC(=O)[O-])C1(OC=O)CC1,1,GDB ChEMBL
281672,CCC1(C=O)C(C#N)CC(OC)C1NCC#N,0,GDB ChEMBL
47500,CC(=[NH2+])N1CC2CC2C1C,0,GDB ChEMBL
222092,CC1=CC2CC1C(CO)C(C)[NH2+]2,0,GDB ChEMBL
319154,CC1(CC#N)C=CNC(=O)OC1C[NH3+],0,GDB ChEMBL
275680,CC[NH2+]CCC1CC1O,0,GDB ChEMBL
59202,CC1=CCC(CO)C2[NH2+]CCCOC12,0,GDB ChEMBL
61499,C#CC(=O)NCC([NH3+])Cc1cn[nH]c1COC,0,GDB ChEMBL
318544,CCCC1CC=C(C(C)C)C(C)(C)C1OC,0,GDB ChEMBL
372556,OCCNc1cnc(Cl)nc1O,1,GDB ChEMBL
286307,Clc1cc(Cl)c2c(c1)C1CCCC1C=C2,1,GDB ChEMBL
31040,C#Cc1c(O)c(Br)c(CC[NH3+])c2c1CCC2,0,GDB ChEMBL
20731,CCC1(C)C2CCC1C(C1CCCC1)C(C)C2,0,GDB ChEMBL
168452,CCC(C)c1cc(Cl)nc(C)n1,1,GDB ChEMBL
374383,N#CC(N)C1(O)C(O)C1NC(=O)C[NH3+],0,GDB ChEMBL
287355,CC1C(=O)CCC1(O)C(C)[NH+](C)C,0,GDB ChEMBL
18815,CCC1C=C(C)C[NH+]1C1CC1,0,GDB ChEMBL
81562,CCOC1CC(NC=O)CC1(C)C,1,GDB ChEMBL
44117,NC(=O)C1C(C[NH3+])C(O)C1C(=O)[O-],1,GDB ChEMBL
262208,C[NH+]1C2CCCC3C(O)C2CC31,0,GDB ChEMBL
126616,CC1C=CCC2C(CCC3CCC[NH2+]3)C2C1,0,GDB ChEMBL
391297,C[NH2+]CC(CC(O)C1(O)CC1[NH3+])NC(C)C,0,GDB ChEMBL
379848,O=C([O-])CC12CCc3cccn3C(C1)C2,0,GDB ChEMBL
164640,CC1[NH+]2CC1(C=O)CC2C(=O)[O-],0,GDB ChEMBL
184264,CCCC1(C#N)CCCCC1(O)CC,1,GDB ChEMBL
60634,CC1C=CCC12CCOCC2,1,GDB ChEMBL
358278,CCCC1C(C)C2CN2C1CC#N,0,GDB ChEMBL
22006,CC[NH+]1CCC[NH+]=C(N)C2(O)CC(C)(C1)C2,0,GDB ChEMBL
217342,CC1=CC(C(C)[NH2+]C(C)C(C)C)C(O)C1,0,GDB ChEMBL
77318,CNC(=O)Cc1c(N)sc(O)c1NC(N)=[NH2+],0,GDB ChEMBL
205932,CCCn1nc(O)c2c1OCCC2=O,1,GDB ChEMBL
352234,CCC1OCC2OC(=O)C1C2[NH3+],0,GDB ChEMBL
383686,OC1C(O)C(O)C2CC2C1O,1,GDB ChEMBL
252606,COc1[nH]nc2[nH]c(=O)c(CC(=O)[O-])cc12,0,GDB ChEMBL
325289,CN(C)C1CS(=O)(=O)[N-]C1(C#N)C(N)=O,0,GDB ChEMBL
16517,CC([NH3+])C1=[NH+]CC(C(N)C(=O)[O-])N1,0,GDB ChEMBL
285776,CCC1(C(=O)[O-])C(C(=O)[O-])OC2OCC1C2[NH3+],0,GDB ChEMBL
71692,CCOC(C)CCC1(C)OC1C(C)CC#N,0,GDB ChEMBL
160024,CC1(CO)C[NH+](C(C)(C)C)C1,1,GDB ChEMBL
334429,N=C1OC(CO)C[NH2+]C(CCO)CC1=NO,0,GDB ChEMBL
344380,COCCC(CO)(C(C)C)C1(C)CC1[NH3+],0,GDB ChEMBL
184915,CCC1C=C(C2CC2)CCC[NH2+]1,0,GDB ChEMBL
54786,CCCC(CCC)(NC)C(=O)OC,1,GDB ChEMBL
271021,CC12CC[NH+]3CCC(C)(O1)C(C3)C2,0,GDB ChEMBL
104423,CCCN1CC[NH2+]CC(C=O)=C1C,0,GDB ChEMBL
135811,C[NH+]=C(NCCC(C)OCCO)c1ccn[nH]1,0,GDB ChEMBL
111534,CC1(C2C(C#N)[N-]C(=O)C2O)CO1,0,GDB ChEMBL
300918,CC1([NH3+])CC(=O)NC(=O)C1N,0,GDB ChEMBL
298239,CNC(=O)COc1nsc(C(O)CC#N)c1[O-],0,GDB ChEMBL
343281,CCCC1CC(C)CC2COC(CC)C1(C)C2,0,GDB ChEMBL
112102,CC1CCCCCCCCC2=CCC1CC2,1,GDB ChEMBL
138397,NC(=O)CC1OCC[NH2+]C(C(=O)[O-])C1(O)CO,0,GDB ChEMBL
172390,CC1OCC2C1CC1C2C[NH+](CCO)C1C,0,GDB ChEMBL
290503,N#CCNCC(O)C1(CC#N)CC1,1,GDB ChEMBL
201099,C#CCC1(C#N)CC([NH2+]C)CCCN1C(C)=[NH2+],0,GDB ChEMBL
301395,COCC(O)CCCc1cc(C)co1,1,GDB ChEMBL
262323,CC[NH2+]C1CC1C1(C[NH3+])CC1,0,GDB ChEMBL
300721,N#Cc1c(N)ncc(O)c1C1CC1,1,GDB ChEMBL
194407,C#CC1(CC)COC(N)=N1,1,GDB ChEMBL
394240,CCC(C)C1C(O)C[NH+]2CCC1(C)C(C)C2,0,GDB ChEMBL
325223,C#CC1[NH2+]CC2C1=CCC2OCCOCC,0,GDB ChEMBL
391464,CC1C(C[NH3+])OC(=O)NC(C#N)C1OC(N)=[NH2+],0,GDB ChEMBL
53048,C#CC(Nc1ccoc1)C(=O)NC,1,GDB ChEMBL
319810,COCC1CC2CC1OC(C)(C)C=C2C,0,GDB ChEMBL
113525,Cc1cc2c(cn1)OS(=O)(=O)N2,0,GDB ChEMBL
81573,C[NH2+]CC(C)(N)C(CO)C([NH3+])CCCO,0,GDB ChEMBL
7375,COC(=O)N1CC2OC(=O)C1C2[NH3+],1,GDB ChEMBL
81749,CC1CNC(=O)OC(C)C2NC12,0,GDB ChEMBL
248608,C[NH2+]C1C(CC=O)COC1C,0,GDB ChEMBL
115039,CC1[NH2+]C2(C)CC(O)C=CC(C[NH3+])C1C2,0,GDB ChEMBL
316478,CN1CC2C(C1=O)C1(C)COC2(C)C1O,0,GDB ChEMBL
260156,CCC1(C)C(C)CCC(C)=CCC1(C)C,0,GDB ChEMBL
130816,O=C1COC(=O)C=CC(C(=O)[O-])C(O)C1,0,GDB ChEMBL
221964,CC1C(=O)CC2CC(C)(CO)CN21,0,GDB ChEMBL
366878,O=C([O-])C(O)COC1COC1,1,GDB ChEMBL
261335,CCC1[NH2+]C2C(C[NH3+])C2C1CO,0,GDB ChEMBL
220156,CCCC1(C)C(CC)C=C(C)C1CC#N,0,GDB ChEMBL
95570,CC(O)C1[NH2+]CC(CO)OCC1O,0,GDB ChEMBL
53852,O=C([O-])C1CC1N1C(=O)CNC1=O,0,GDB ChEMBL
151274,CCCC1C2[NH2+]C3(CC3)CC1C(CO)C2=O,0,GDB ChEMBL
312859,CCCCNC1(C(N)=[NH+]CC=O)CCCOC1,0,GDB ChEMBL
131635,CCC([NH3+])C1C(CNC=O)C1OS(N)(=O)=O,0,GDB ChEMBL
399020,Cn1nc(CO)c2c1NC(=O)C2,1,GDB ChEMBL
71244,CCC(C)C1CC2CCC1C(C)(CC)O2,0,GDB ChEMBL
10999,COCC1(C(N)C[NH3+])[NH2+]C(CO)CC1(C)O,0,GDB ChEMBL
198826,CCC1CCCC=CCC=C(C=O)C1(C)C,0,GDB ChEMBL
193783,COC1OCC(N)C(=O)NC(=O)C12CCC2,1,GDB ChEMBL
305301,CC1=CC=CCC(C(C)C)CCC(C)=C1,0,GDB ChEMBL
354002,CCOC(=N)C(O)(CS(C)(=O)=O)C(=O)[O-],0,GDB ChEMBL
273975,CC1C[NH+](C)CC(C=O)CC1C[NH+](C)C(C)C,0,GDB ChEMBL
258312,CC(C)C1CCCC2CCC([NH2+]2)C1C(C)(C)C,0,GDB ChEMBL
324275,CC1NC(=O)CNCC(=O)NC1=O,1,GDB ChEMBL
114385,CNS(=O)(=O)C(O)C1C(C)NC(=O)C1O,0,GDB ChEMBL
160053,N#CC(O)C(C[NH3+])(CC(=O)[O-])NC(N)=O,1,GDB ChEMBL
39968,CC1C[NH2+]CCC(C)(CNc2ccccc2)C1,0,GDB ChEMBL
27008,Cc1ccc(CC2C3CCCC32)c(C)c1Cl,1,GDB ChEMBL
33564,C#Cc1c(CC)ccc(CO)c1Cl,1,GDB ChEMBL
34458,C#CC(c1cc(N)c(C)cc1Cl)C(C)[NH3+],0,GDB ChEMBL
260587,Fc1cccc2c1CCC1=C2CCC1,1,GDB ChEMBL
379364,C#CC1[NH2+]C(C2CC2)C1N(CC)CC,0,GDB ChEMBL
1926,COC(C#N)C1CNC(=O)NC(=N)O1,0,GDB ChEMBL
363257,CCN1C(C(N)=[NH2+])C2COC(CC(N)=O)C21,0,GDB ChEMBL
277546,CC=CC=CC(O)C([NH3+])C1CCC1,0,GDB ChEMBL
50952,NC(=O)C1NC(=O)C(O)C(O)C(O)C1N,0,GDB ChEMBL
13776,CC1CCC(C2=CCCCCC#CC2)[NH2+]C1,0,GDB ChEMBL
365802,CC(C)(C)CC#CCCC[NH3+],0,GDB ChEMBL
359131,C#CCC(CC#CC(C)[NH+](C)C)CCO,0,GDB ChEMBL
289416,CCC(C)C1OCOCCC(C)(CO)CC1[NH3+],0,GDB ChEMBL
101895,CCC1[NH+]=C(N)N(CCC(=O)[O-])CC1O,0,GDB ChEMBL
74292,CC1C2C3C[NH+]1CCC([NH3+])C32,0,GDB ChEMBL
296054,COC(=O)[C-](C#N)C1(C(=O)[O-])CC(=O)C1O,0,GDB ChEMBL
104621,O=C1NC(CO)(C2COC2)CC1O,0,GDB ChEMBL
173128,CC1(CO)C2NC(=[NH2+])OC21C(=O)[O-],0,GDB ChEMBL
112352,CC1(C(O)C(N)C(C#N)C(=O)[O-])CCC(N)=[NH+]1,0,GDB ChEMBL
118882,CCC1COCCC2C(O)C3CC3C12,0,GDB ChEMBL
218369,CC(C)C(C[NH3+])C(C)[NH3+],0,GDB ChEMBL
229458,CCN1C(=O)CC(c2c(O)n[nH]c2[O-])NC1=O,0,GDB ChEMBL
332700,CC(O)C(N)C(C)([NH3+])C1CC1,0,GDB ChEMBL
182877,CC1CC(O)C2(C1)C(N)C2[NH3+],0,GDB ChEMBL
192589,CC1C2COC(C(N)=[NH2+])(C[NH2+]2)C(O)C1CCO,0,GDB ChEMBL
252629,COC(C)C1NC(=O)C2OC(=[NH2+])NC21,0,GDB ChEMBL
11703,CC1CCC([NH3+])CC12CO2,0,GDB ChEMBL
28180,CC([NH3+])C1=CCNCC[NH+](C)CCC1,0,GDB ChEMBL
288948,C=CC1C(C)C=CCC1CCCC,1,GDB ChEMBL
181137,CC1CC([NH3+])CC1NCc1nccs1,0,GDB ChEMBL
82187,CCc1c(CC(C)(C)CC)cc(NC)n1CC,1,GDB ChEMBL
275521,[NH3+]CCC(CO)OCc1nsnc1[O-],0,GDB ChEMBL
119631,C[NH2+]CC(=O)NC(=N)Nc1ccnc(=[NH2+])[nH]1,0,GDB ChEMBL
20535,C=CCCCCC(C)C=CC=CC,1,GDB ChEMBL
263212,CCC1CCCC(CC)C1(CC)CCC(C)C,1,GDB ChEMBL
288111,CCC12CC[NH+](C)C3CCCC(C)(CC1C)C32,0,GDB ChEMBL
366054,CC1CNC(=O)C(O)C=CC(O)CO1,0,GDB ChEMBL
355359,CC[NH+]1C(C)C(N)CCC2(O)C(=O)NCCC12,0,GDB ChEMBL
238559,[NH3+]C(CO)C1C2COC1C(O)C[NH2+]2,0,GDB ChEMBL
93418,CC1CC2(C(N)=O)CC(CC2C#N)C1C,0,GDB ChEMBL
379878,CCN1C2C(C)(C)OC(C)CC(C)C21CO,0,GDB ChEMBL
177172,N#CC12CS(=O)(=O)C3C(C(=O)[O-])C(=O)N1C32,0,GDB ChEMBL
312553,CC([NH3+])C1C(N)C[NH+](C)CC1CO,0,GDB ChEMBL
143805,CCCOC1CC2C3CC3[NH+](C1)C2C,0,GDB ChEMBL
288915,CC(=O)OC(C[NH3+])c1cncc(=O)[nH]1,0,GDB ChEMBL
241141,CC1C#CCCOCC(C)[NH2+]1,0,GDB ChEMBL
36191,COCC([NH3+])C12OC(C)C(O1)C(=O)NC2CO,0,GDB ChEMBL
179477,COC(N)=[NH+]C1CC(OC)C([NH3+])CC1N,0,GDB ChEMBL
221350,CCC(=O)OCC(O)C(=[NH2+])NCCO,0,GDB ChEMBL
365693,CC[NH2+]CC(C[NH3+])CCNC(N)=[NH2+],0,GDB ChEMBL
47396,C[NH2+]CC(=O)Nc1ncnn1C,1,GDB ChEMBL
159844,COc1ccc(Br)c(C)c1C,1,GDB ChEMBL
274834,CCC1OCC2C[NH2+]CC2C1C#N,0,GDB ChEMBL
174842,CC#CC1CCCC1CC(C)C,1,GDB ChEMBL
127713,COC(C)C(CNC=[NH2+])(C(=O)[O-])C(C[NH3+])CO,0,GDB ChEMBL
293815,CC1(C)CCC=CCC(CCC[NH3+])CC1,0,GDB ChEMBL
77489,CN1CC2C1=NCCC(=O)N2CC[NH3+],0,GDB ChEMBL
397040,CC1CC2CC(CO)C[NH2+]C(C)C(C1)C2,0,GDB ChEMBL
242947,CCOC1CC2NC23CCC[NH+](C)CC13C,0,GDB ChEMBL
81072,N#CC1CC(N(CCO)C(N)=O)C1N,0,GDB ChEMBL
99579,CC1=CC2C(O)C[NH+](C)C(C)C1CC2(C)O,0,GDB ChEMBL
359113,C#CCC(C)(C)[NH+]1CC2CC(CC([NH2+]C)C2)C1,0,GDB ChEMBL
120852,CC(CCC([NH3+])CC(N)=O)S(=O)(=O)[O-],0,GDB ChEMBL
388458,CCCC1CC(=O)CC1C1CC1,0,GDB ChEMBL
108739,NC(=O)OCCC1OC1C[NH3+],0,GDB ChEMBL
275697,C#CCC1(C)C([NH3+])C=CC(C)C1CCC,0,GDB ChEMBL
174201,CC(=O)N1C(=N)NC2=[NH+]CCCN2CCC1C,0,GDB ChEMBL
377755,CC1=CCCC2(C1)CC(C)C1CCCCC12,0,GDB ChEMBL
321427,NC(=O)N1CCC(CO)C(O)C1,1,GDB ChEMBL
332371,CC(C)Oc1[nH]c(=NCCO)ncc1N,1,GDB ChEMBL
349626,CC([NH3+])CC1C(C)C(CO)[NH2+]CC1(C)O,0,GDB ChEMBL
180052,O=C([O-])C[NH2+]C1CC2C(NS2(=O)=O)C1O,0,GDB ChEMBL
4916,C#CC1CC(CCCC[NH3+])C(C)(C)N1C(N)=O,0,GDB ChEMBL
156217,Cc1ccc(C2=CC3CCC3C2C)cc1F,1,GDB ChEMBL
288625,CCCCC1[NH2+]C2CC2C1C(C)(O)CC,0,GDB ChEMBL
200751,CCc1cc(I)ccc1C#CC1=CCCC1,1,GDB ChEMBL
80255,CCC1CC12CCOC2CO,0,GDB ChEMBL
258016,C[NH2+]C(C)C(O)CC1CS(=O)(=O)NC=N1,0,GDB ChEMBL
173697,CCC[NH2+]C1CN=C(C(F)(F)F)NC(=O)C1,0,GDB ChEMBL
148935,CC1CCCC2(C#N)CN1C2,1,GDB ChEMBL
31796,C#CC1CC2CCCC2Cc2ccc(C)cc21,1,GDB ChEMBL
93456,CC1C(C[NH3+])CC2CC(C(C)(C)C)CC21,0,GDB ChEMBL
53655,Cc1ccn(CC2(C(C)(C)[NH3+])CCN2C)n1,0,GDB ChEMBL
309673,CC#CC1C[NH2+]CCC1O,0,GDB ChEMBL
76712,CC12CC(C#N)C(CCCC1C=O)[NH2+]2,0,GDB ChEMBL
311015,O=CCc1sccc1CCO,1,GDB ChEMBL
84880,CC12CC1[NH2+]CC2C1(C(=O)[O-])CCNC1=O,0,GDB ChEMBL
84258,CC1[NH2+]C2C3CCCC1C2CO3,0,GDB ChEMBL
388388,CCC1CC2C([NH3+])C2NC1C(N)=O,0,GDB ChEMBL
276050,CC(CC1CC1)OCC(=N)NS(C)(=O)=O,1,GDB ChEMBL
213995,CC([NH3+])C1(N)COC(C(N)=O)C1C(=O)[O-],0,GDB ChEMBL
70859,C#CCCC(C)(C)CCC(N)=[NH2+],0,GDB ChEMBL
215702,CC1=CCC[NH+](C)C2CC2C1,0,GDB ChEMBL
181535,CCCC(C)C1CC1(O)C1CCCC1O,0,GDB ChEMBL
198813,COC1CC2C3CC(C3)[NH+]2CC1C[NH3+],0,GDB ChEMBL
76940,Cc1cc(=[NH2+])c(CO)cc(N)[nH+]1,0,GDB ChEMBL
64082,CCC1C=CC2CC(C)CC(C)C12,1,GDB ChEMBL
174854,CNC(C(N)=[NH+]C)C(OC)C([NH3+])C(=O)[O-],0,GDB ChEMBL
308007,CCC1C2NCCOC1C2[NH2+]C,0,GDB ChEMBL
312518,C#CC(C)c1cnc(C[NH3+])c(F)c1C(F)(F)F,0,GDB ChEMBL
50945,Cc1c(N)cscc(C[NH3+])nc2c1CCCC2,0,GDB ChEMBL
29225,CN1CC[NH+](C)CCC1=O,1,GDB ChEMBL
151697,CNC(=O)C1[NH+]=C(N)NC1C(=O)OC=N,1,GDB ChEMBL
221651,COC1CC23CCCC2C1CC3C,0,GDB ChEMBL
390510,CC#CCc1cc(N)c(C)cc(O)c1=O,1,GDB ChEMBL
811,CC1=CC(=O)NC(=O)C12CCC2,1,GDB ChEMBL
153248,N#CC1NC(=[NH2+])NC(=[NH2+])NCCNC1=O,0,GDB ChEMBL
124559,COC1C(O)C(=O)NC12C([NH3+])CNC2C#N,0,GDB ChEMBL
262259,CN=C1CCCC(=O)OC(CCNC=O)CO1,1,GDB ChEMBL
132472,C#CC1(C#C)CCCC(CCCCCC)[NH2+]C1,0,GDB ChEMBL
144641,CCC1C2C(C(O)CO)[NH+](C)C1CN2C(N)=O,0,GDB ChEMBL
117378,COC1C(CC(C)(C)O)C2CC1(C(N)=O)[NH2+]2,0,GDB ChEMBL
72037,CC1c2ccccc2C2C3CCCC132,0,GDB ChEMBL
117312,COC1C=CC2CC1C(=O)C2C#N,0,GDB ChEMBL
83098,CC(C)(C)C1(OCC[NH3+])CCC1,1,GDB ChEMBL
281963,CC1(C)CCC2(C[NH3+])CC[NH+]1C2,0,GDB ChEMBL
24292,CC1C[NH2+]C(C2CCCO2)C1C,0,GDB ChEMBL
54087,COC(=O)C1(O)C2CC(CC(=O)[O-])[NH2+]C21,0,GDB ChEMBL
15544,CC[NH2+]C1C2CC2CC12CC2,0,GDB ChEMBL
228453,CCc1ccc(F)c(C2C=CCCC2)c1C,1,GDB ChEMBL
195460,Nc1[nH]nc(CO)c1CC(=O)[O-],1,GDB ChEMBL
87479,C[NH+]1CC(C)(C)CCCCC2(C=O)CC12,0,GDB ChEMBL
61988,Cc1cc(Br)c2c(n1)CC([NH3+])COCCC2,0,GDB ChEMBL
220203,CCC#CC1(C)Cc2c(C)cc(F)cc2O1,1,GDB ChEMBL
396769,CCc1c(Br)ccc(CC(CC)C(C)C)c1Br,1,GDB ChEMBL
34782,C[NH2+]CC(N)C1(C)C(CO)C[NH2+]C1C,0,GDB ChEMBL
115964,Nc1cc2cc(Br)c1C#CCCC=CC2,1,GDB ChEMBL
310110,CC(=O)N1CC(C)(C([NH3+])c2nnn[n-]2)C1,0,GDB ChEMBL
305303,CCN1C(=O)C2C#CCCOCC1C2[NH2+]C,0,GDB ChEMBL
120836,COc1ocnc1C(C)CC(=O)[O-],0,GDB ChEMBL
347936,CC=C1C2OCC1(C)C(CC)C2O,0,GDB ChEMBL
29941,CC1OC12CCCC=CCCCC2,1,GDB ChEMBL
230408,CC=CC([NH+]=C(N)C1CC1)C(=O)[O-],0,GDB ChEMBL
288965,CCCC(N)(C[NH2+]C)C(C)(C)N(C)C(=O)C[NH3+],0,GDB ChEMBL
71989,Cn1ncc2nccc(N)c21,1,GDB ChEMBL
116588,CCC1CC(C)=CC=CC(C)(C)CC1OC,0,GDB ChEMBL
346524,CCN=C(CC=NO)NC(=O)NC1COC1,1,GDB ChEMBL
25116,CC(C)n1nccc1[O-],0,GDB ChEMBL
156477,CC12CC1C(=O)OC1CCCCC12,1,GDB ChEMBL
302268,CC1=CC#CCCC2CC[NH2+]C(C1)CC2C,0,GDB ChEMBL
355404,CC1C(C)C2CC3CC3CC1C2CO,0,GDB ChEMBL
280452,COC(=O)NC(C[NH3+])C1(O)C2OCC(O2)C1O,0,GDB ChEMBL
278893,CCC(C)(C)C1CC(CC(C)CO)C1,1,GDB ChEMBL
177318,O=C1C=CC[NH2+]C2CC2N1,0,GDB ChEMBL
147243,CC1CC2OC2C1[NH2+]CCO,0,GDB ChEMBL
271540,CCCOCC([NH3+])CC(N)C#N,0,GDB ChEMBL
262280,CNS(=O)(=O)C1C(N)C1OCC(N)=O,0,GDB ChEMBL
61841,N#CC12CS(=O)(=O)NC1C=C(CO)C(=O)[N-]2,0,GDB ChEMBL
8678,CC(O)CNS(=O)(=O)C(C[NH3+])CO,1,GDB ChEMBL
77320,CC#CC1C(O)C(=O)N1S(=O)(=O)CC,1,GDB ChEMBL
318132,CC1N=C2C(C(C)CCO)NC(=O)CN2C1=O,0,GDB ChEMBL
207299,CC#CC1([NH2+]CCC[NH+]=C(N)OC)CC1,0,GDB ChEMBL
79269,CNC(C(N)=O)C(C)NC(N)=[NH2+],0,GDB ChEMBL
317321,CCOC(=O)CC1CCC2CC(C)OC12C[NH3+],0,GDB ChEMBL
210454,COC1C(C)C=CC2(N)C[NH+](C2)C1C(C)C,0,GDB ChEMBL
64683,CNC(=[NH2+])OC(C[NH3+])C(O)C(N)=O,0,GDB ChEMBL
243779,CC1CC2OC(=N)C(C(N)=O)C1C2O,0,GDB ChEMBL
191534,C#CC(CC(C)C)[NH+](CC)C1CCC1,0,GDB ChEMBL
41285,c1csc(C2C[NH2+]CCC3C[NH2+]C32)c1,0,GDB ChEMBL
151147,C[NH2+]C(CO)c1cnn(CC(N)=O)c1,0,GDB ChEMBL
126657,CCC1COC2CC1C1(CC1)C(C)CC2[NH3+],0,GDB ChEMBL
210961,CNC1C(=O)OCC1NC=O,1,GDB ChEMBL
274256,CCC1C=Cc2c(F)cc(C)cc2C1,1,GDB ChEMBL
108112,CCCCC1=CC(C#N)C(CC)C(C)(C)C1,1,GDB ChEMBL
50861,C[NH+]=C1NC2CCC(O1)C2O,0,GDB ChEMBL
149414,CCC1C2(CO)CCC(O)C(C2)C1(C)C,0,GDB ChEMBL
103429,[NH3+]CCn1cc2c(c1)CC([NH3+])(CC(=O)[O-])C2,0,GDB ChEMBL
389439,CNc1cc(Br)c2c(c1)C1(CC1)C(C)C2,1,GDB ChEMBL
165969,C#CCC1(C)CCCC1OC,1,GDB ChEMBL
352561,CC1(c2[nH]ccc2CC(N)=O)CCC1,0,GDB ChEMBL
368203,CCC1CC(C)=CCC2CC12COC,0,GDB ChEMBL
240772,CCCCC(COC)[NH2+]C12CCN(C1)C(C)C2,0,GDB ChEMBL
127011,C#Cc1nc(NC)sc1C(=O)[O-],1,GDB ChEMBL
61897,CCC(N)(C#N)CNC(=NCC(=O)[O-])C(N)=[NH2+],0,GDB ChEMBL
112551,CC12OC1CC1C[NH2+]CC2CC1O,0,GDB ChEMBL
337162,C#CC(C(=O)NC)C1CC(=O)CN1C(C)(C)C,0,GDB ChEMBL
173677,CCOC1(C)C2C=CC1(C#N)C(=O)[N-]2,0,GDB ChEMBL
47343,COCCCC1=C(C=O)CC(C)CC1,0,GDB ChEMBL
392773,N#CCNC(N)=[NH+]C(CO)C(=O)NC=N,0,GDB ChEMBL
208352,COC1CCOC(=O)C2CC(O)C1C2,1,GDB ChEMBL
140260,CCC(=O)C1CNC(=O)COCC[NH+]=C(N)N1,0,GDB ChEMBL
394324,C[NH2+]CCOCCNC(=N)C(N)=O,0,GDB ChEMBL
37648,N#CCC([C-](C#N)C#N)S(=O)(=O)NCCO,0,GDB ChEMBL
377811,C=C(C)C(C#N)CC=C(C[NH3+])CO,0,GDB ChEMBL
70347,C[NH2+]CC1NC1CCCO,0,GDB ChEMBL
148786,CC[NH+]1C2CCC(C)(CC2O)C1C(C)C,0,GDB ChEMBL
76497,CCC1C=CC(C#N)NC1C,1,GDB ChEMBL
121070,CC(O)CC(C)(O)CC[NH3+],0,GDB ChEMBL
75016,CC1(C(=O)[O-])CCC(C[NH3+])C12[NH2+]C1CCC2C1,0,GDB ChEMBL
103925,COC(=O)NC1C2OC(=O)NC1(C)CC2C,0,GDB ChEMBL
382542,CC[NH2+]C1CC(C)(OC(=O)C(C)C)C(C)C1C,0,GDB ChEMBL
140754,CCC1=CCOCCCC(O)C(C)([NH3+])C1,0,GDB ChEMBL
257967,CC1CC(O)C(C(CCO)C(O)C[NH3+])C1,0,GDB ChEMBL
274027,COc1cnc2c(c1)CC1CC(C)(C2)C1,0,GDB ChEMBL
207728,CCC1CCCC(C[NH2+]C)CC(CC)C(C)[NH2+]1,0,GDB ChEMBL
273676,CCC1(CC)CC2CC(C)CC2C1,1,GDB ChEMBL
337842,COc1n[nH]cc1C([NH3+])CO,1,GDB ChEMBL
242964,CCC#CCC1CCOC2CC(=[NH2+])NC2C1,0,GDB ChEMBL
82119,COc1ncc(C2CC(=O)N2)c2cc[nH]c12,1,GDB ChEMBL
238156,CCC1CC(C)(O)C=CC(O)COC1=O,0,GDB ChEMBL
277970,CC1C2[NH2+]CCC2C([NH3+])CC(C)(C)C1O,0,GDB ChEMBL
77799,CC(C)CC(C[NH+]=CN)Oc1ncc(Br)cn1,0,GDB ChEMBL
305175,C[NH+](C)C(C(=O)[O-])C1COC2CC1CC2[NH3+],0,GDB ChEMBL
227578,CCCCCC12CC(C)CCC(C)(C)C1C2,0,GDB ChEMBL
197043,C#CCC(C)(C)C1C(C)CCCC1C,0,GDB ChEMBL
394266,COC1CC(C)C2CCC3C2C12CC2[NH+]3C,0,GDB ChEMBL
374311,C[NH+]=C1NC(C2CCCCC2)CC1O,0,GDB ChEMBL
369333,CCC1(C)C2CCC1C(C(C)C)C1CCCC12,0,GDB ChEMBL
370320,CC1C=CCCCCC1CC1CC1,0,GDB ChEMBL
172787,CNC(C(N)C[NH3+])C(O)C(=O)NC=O,0,GDB ChEMBL
273955,CCC1CC2CCCCC1C(C)C=CC2C,0,GDB ChEMBL
287331,Cc1nc(CC[NH3+])c(C)n1C,0,GDB ChEMBL
127187,CC1(C)C2CCC3=NCC(O3)C1NC2=O,0,GDB ChEMBL
378871,CC1CCC(CCO)CC(C)C(=O)C[NH2+]1,0,GDB ChEMBL
358399,N#CC1OC1c1cc(N)nn1CC(=O)[O-],1,GDB ChEMBL
341134,CC1NC(=[NH2+])COC(=O)C1C(N)=[NH2+],0,GDB ChEMBL
61303,COc1nc(Cl)nc(NC(=N)NC=O)n1,1,GDB ChEMBL
81407,CS(=O)(=O)NC(C#N)Cc1cnsn1,1,GDB ChEMBL
124785,C#Cc1ncc(Cl)c2c1C(C(C)C)CC2,0,GDB ChEMBL
77732,C[NH+]1CCCCC([NH3+])C2C=CC3C2C31,0,GDB ChEMBL
36020,NC(=O)CC1(O)CC2(CO)[NH2+]CC(N)C2C1O,0,GDB ChEMBL
11033,C#CC12C[NH2+]CC(C)(CC)C(C(=O)[O-])C1O2,0,GDB ChEMBL
205939,Cc1nc(C2CCCO2)ccnc(N)c(N)s1,0,GDB ChEMBL
274095,CC1CC2OC(C(=O)[O-])C(C1)C2n1ccnc1,0,GDB ChEMBL
332470,CC1OC(=O)C(O)C([NH3+])C(O)C1(O)CCO,0,GDB ChEMBL
288643,CNS(=O)(=O)C(O)CC(CC[NH3+])C(=O)[O-],0,GDB ChEMBL
182503,C#CC1(C(=O)OC)C2CC2C(=O)N1CC#N,0,GDB ChEMBL
245878,NC1C([NH3+])C12CC1C(=O)OC2C1O,0,GDB ChEMBL
325237,CCCC1CC(C)CC(C(F)(F)F)C1,1,GDB ChEMBL
98838,NC(=O)C1C(=O)OCCN1C(N)=O,1,GDB ChEMBL
115167,C#CC(OCC(C)(C)CO)C(=O)NC,1,GDB ChEMBL
233461,CC1=CCCCCC1(C)CC[NH3+],0,GDB ChEMBL
348421,COC(C)CN1CC(C#N)(CO)C1=N,0,GDB ChEMBL
212544,CC1CCOC2CC(CCC2(C)O)[NH2+]C1CN,0,GDB ChEMBL
77512,NS(=O)(=O)CC(=O)NC(=O)CCO,1,GDB ChEMBL
6003,COCC([NH3+])C1C(O)C1(CC[NH3+])OC,0,GDB ChEMBL
23520,CC(C)(C)C1C2[NH2+]CCCC=CC([NH3+])C21,0,GDB ChEMBL
268118,CC1C=CCCCC2(C1)C[NH+](C)C2,0,GDB ChEMBL
345735,CC(CC[NH3+])OCC(N)=O,0,GDB ChEMBL
292538,O=C1C=CC23CC(O)C(CC2C3)N1,0,GDB ChEMBL
199472,CCCC(C)OCC([NH3+])CC(O)C#N,0,GDB ChEMBL
383029,C1CC2OC(C1)C1CNC2C[NH2+]1,0,GDB ChEMBL
148735,CCC(CC(C)(C)C)C1C(C)C1C,0,GDB ChEMBL
28349,Cc1ccc(C2CC3(O)CC2CC3[NH3+])cc1F,0,GDB ChEMBL
161058,CCOCCc1cc(N)n[nH]1,1,GDB ChEMBL
300228,N#CC1CC2=NCC(O)C([NH3+])C(=O)N21,0,GDB ChEMBL
387053,CCCCC1C=CCC=CC1C(C)C1CC1,0,GDB ChEMBL
265302,CC[NH+](C)C1C(O)C2C(C)CC(O)C21,0,GDB ChEMBL
142953,C[NH+](C)CC1=CCC2C[NH2+]C1C2CO,0,GDB ChEMBL
262526,CNc1cc(O)ncc(CC(C)O)ccn1C,0,GDB ChEMBL
296340,CCCC12C(C)C1C1CCC2[NH+]1CC,0,GDB ChEMBL
337161,C#CCCC1CC1CCC(C)C,1,GDB ChEMBL
379208,NC1=[NH+]C(CO)C(C=O)N1,0,GDB ChEMBL
203463,CC[NH2+]CC1C(=O)C2CC(C3CCC2C3)C1O,0,GDB ChEMBL
338577,CCc1cnc(Cl)c(C(C)C)c1C(F)(F)F,1,GDB ChEMBL
318368,CNc1cc(Cl)c2cc(C)n(C)c2n1,1,GDB ChEMBL
298222,C#CC(OCC([NH3+])CC[NH3+])C(C)C(C)[NH3+],0,GDB ChEMBL
259519,CCC1C2(C)CC3OC31CC2=O,0,GDB ChEMBL
224027,CNc1n[nH]c2c1CC(NC(=[NH2+])N(C)C)C2,0,GDB ChEMBL
272575,O=C1NCC(C2(O)CC2)CO1,1,GDB ChEMBL
389629,CCC1(C)C[NH+](C(C)C(C)C)C1,0,GDB ChEMBL
390474,CCNc1ccc2ccsc2c1F,1,GDB ChEMBL
266201,COC(=O)C1(N)C(N)C1(C)C[NH3+],0,GDB ChEMBL
242616,C#CC1CC[NH2+]C2(CCC)CCCCC1(C)C2,0,GDB ChEMBL
41653,CCC1(CC)CCCC=C(CC2CC2)C1O,1,GDB ChEMBL
174931,CCC(C)C(C)(C(C)OC)C1CC1C,0,GDB ChEMBL
378278,CCC1CCC(C)=CCCC(COC)C1,0,GDB ChEMBL
348593,CCNc1cc(C)nc(N=CN)c1NC(C)=O,1,GDB ChEMBL
103455,NC(=O)C1(C(N)=O)C2CNC(=[NH2+])N21,0,GDB ChEMBL
372623,C=CC1C=CC([NH2+]CCC[NH3+])C1O,0,GDB ChEMBL
80447,CC1OC2CC1C1C=CCCCC21,0,GDB ChEMBL
317350,C#Cc1cc(CC)c(I)cc1C1CCCC1,1,GDB ChEMBL
60611,COC(C)(C)CCC(C)NC(C)=O,1,GDB ChEMBL
318338,CCC(O)CS(=O)(=O)NC(=N)NCCCO,1,GDB ChEMBL
29705,CN1CCOC(=O)C2OCC1CC2(C)[NH3+],0,GDB ChEMBL
23983,CCC(C=C(C)C(C)C)C(F)(F)F,1,GDB ChEMBL
117362,CC([NH3+])C(O)C([NH3+])C(C)CO,0,GDB ChEMBL
252537,CC(CO)C(C)(NC(=O)CO)C(N)=[NH2+],0,GDB ChEMBL
11255,NC1C([NH3+])C(O)C1NC(CCO)C(=O)[O-],0,GDB ChEMBL
354448,CCCCC([NH3+])CC12CC(C)CC([NH3+])(C1)C2,0,GDB ChEMBL
362236,CNC(=O)C1CC([NH2+]C)C(C=NO)C1(C)O,0,GDB ChEMBL
165663,CCCC([NH3+])c1cccc(Cl)n1,0,GDB ChEMBL
198647,CCC1(C)CCCC2CC(C#N)CC21C,0,GDB ChEMBL
76769,CC1=CCCC(C)(C)N(C)C(C#N)C1,0,GDB ChEMBL
355432,CC1CN(c2ccc(I)cc2)C2CC1C2,1,GDB ChEMBL
354389,CCC1CCCC1C#CCOC,1,GDB ChEMBL
391477,CCc1cc(C(C)C)c(O)c2c1C(C)CC2=O,1,GDB ChEMBL
284322,Cc1cc(CC(C)[NH3+])cc2occc12,0,GDB ChEMBL
222536,CC1=CCC2=CCOC(=O)C12,0,GDB ChEMBL
104368,COC(=O)NC(CC(N)=O)C(O)C(=O)CO,0,GDB ChEMBL
228469,CC(C)Oc1c(N)nc(Br)c(O)c1NC(N)=O,0,GDB ChEMBL
252887,C[NH2+]CC1NC(=O)CCC1(C[NH3+])NC=O,0,GDB ChEMBL
38526,CC(C)c1cccc2c1C1(C)CCC([NH3+])(C2)C1,0,GDB ChEMBL
316419,CC(C)C(C(C)c1cccc(Cl)c1Cl)[NH+](C)C,0,GDB ChEMBL
6054,CC1C(O)C2C(CO)CC(C)(C)C1[NH+]2C,0,GDB ChEMBL
366792,CCCC1CC2C([NH3+])CCCC2(OC)C1(C)C,0,GDB ChEMBL
22000,C#CCC(CC)Cc1ccc(CC)c(C)c1Br,1,GDB ChEMBL
366567,COCCCC1[NH2+]CC1CO,0,GDB ChEMBL
306382,CCCOC1C(O)C1C(N)=O,0,GDB ChEMBL
316447,C[NH2+]CC(=O)NC1C(C)CC(N)C1[NH2+]C,0,GDB ChEMBL
386493,NCC1CC2C3CC(CC(O)C23)[NH2+]1,0,GDB ChEMBL
258299,C#CC1Cc2cc(Cl)c(C)c(CC)c2C1,1,GDB ChEMBL
81015,CCCC(C)[NH2+]C(C(C)CC)C1(C)CC1,0,GDB ChEMBL
79314,N=C1NC(=O)C(=O)C(C(N)=[NH2+])CO1,0,GDB ChEMBL
170144,C[NH2+]C(C)c1cc(OCCO)no1,0,GDB ChEMBL
395970,C#CC1Cc2cc(CC)c(CC)c3c2N1CC3,0,GDB ChEMBL
147229,CN1C(=O)CC([NH3+])C1C1CNC1=[NH2+],0,GDB ChEMBL
50956,CCC(O)C(=O)Nc1ncncc1I,1,GDB ChEMBL
201105,CC1[NH2+]C2C(N)CNC(=O)C2C1O,0,GDB ChEMBL
252757,CCC1CCC(C)C2CC(C1)CC21CCCC1,0,GDB ChEMBL
109157,CC1C(O)CC2(C(N)=O)CC12CO,0,GDB ChEMBL
243364,COC(=O)CC1CCC(CC2COC2)O1,1,GDB ChEMBL
100992,N#Cc1ncc(C(=O)NC=O)nc1O,1,GDB ChEMBL
46911,C#CCC([NH2+]C)C1C[NH2+]C1,0,GDB ChEMBL
340087,CCOC1CC(C2CC2)C(C)CC1O,1,GDB ChEMBL
116600,CC#Cc1cc(Br)cc(CC[NH3+])c1C#CC,0,GDB ChEMBL
33309,CCC(C)C1CC[NH+]2CC2C1,0,GDB ChEMBL
6837,CCC1(OCC(N)=O)CN(CC(N)=O)C1=N,0,GDB ChEMBL
390123,CCC#CC#CC#CCCOC,1,GDB ChEMBL
319363,C#CC([NH3+])C(OC)c1ccc(Br)c(C(C)C)c1,0,GDB ChEMBL
204816,C[NH2+]C(C(O)CCO)C(C)(N)C1COCC1O,0,GDB ChEMBL
195409,CC(O)C1C2CCC(CC(=O)[O-])(C(C)O2)C1O,0,GDB ChEMBL
255093,CC(=O)C(CO)CNC1C[NH2+]C1,0,GDB ChEMBL
162516,CC1(CC[NH3+])CN(C(N)=O)C1,0,GDB ChEMBL
371747,CC(C)C1C([NH3+])CN(C(C)(C)C[NH3+])C1CC[NH3+],0,GDB ChEMBL
15550,OC1C2Cc3c(F)cc(F)c4c3C2C1C4,0,GDB ChEMBL
133974,CC12CC(CCO1)CC2=O,1,GDB ChEMBL
331736,CC1COS(=O)(=O)[N-]C(=O)C1CO,0,GDB ChEMBL
261202,COC1C2CCCC2OC1C1CC[NH2+]1,0,GDB ChEMBL
97099,CC=C1C2CC3C(CO)C2CC13C,0,GDB ChEMBL
11411,C#Cc1c(C)nc(C(C)C)c(C)c1F,1,GDB ChEMBL
208300,CCC1CC(C)NC1=[NH2+],0,GDB ChEMBL
302286,C[NH+]1CC2(O)C3OCCCC32C1,0,GDB ChEMBL
119653,CN(C=[NH2+])c1ccnc(CC#N)c1,0,GDB ChEMBL
139800,NC(=O)C(CO)(CO)NC=O,1,GDB ChEMBL
184519,CC1CC[NH+]1Cc1cc[nH]c1,0,GDB ChEMBL
379909,CCc1ccc2c(c1)OCO2,1,GDB ChEMBL
197456,C[NH2+]C1CNCC(=O)OCC2C1CC(=[NH2+])N2C,0,GDB ChEMBL
50080,CCc1c[nH]c2c3c(c(F)cc12)CCC3,1,GDB ChEMBL
309189,Cc1cc(C)n(C)c1C(C)(C)C,1,GDB ChEMBL
306409,CC1[NH2+]C(CO)C(O)CC1OC(N)=[NH2+],0,GDB ChEMBL
70074,C=CCC1(NC(=O)OC)CC1C=C,1,GDB ChEMBL
13799,CCCC(C#CC[NH2+]CC(C)CO)CC,0,GDB ChEMBL
17095,CNC(=O)OCC1NC(CO)=NCC1[NH2+]C,0,GDB ChEMBL
113600,C#CC1(c2cccc(C(C)(C)C)c2)CC1,1,GDB ChEMBL
194463,NC(=O)NC=NC1COCC(=[NH2+])NCC(O)C1,0,GDB ChEMBL
259501,CCC1C[NH+](C)C2(CCCCCC2(C)CC)C1,0,GDB ChEMBL
284348,Cc1sc2c(Br)cccc2c1CO,1,GDB ChEMBL
354358,C=C1CC=C(CCCC)C1CCC,1,GDB ChEMBL
234948,Nc1nc2sc(C3CC3)nc2cc1F,1,GDB ChEMBL
43574,CC1(C(=O)[O-])COC(NS(C)(=O)=O)=N1,0,GDB ChEMBL
216556,CCC1NC(=O)CCCCNC(C#N)C1C=O,0,GDB ChEMBL
305562,[NH3+]CC1CNC(=O)C1Nc1nn[nH]n1,0,GDB ChEMBL
210994,CC1C=CC2CC12c1cc(F)ccc1F,0,GDB ChEMBL
130629,CCCS(=O)(=O)C(CC=O)CCNC=O,0,GDB ChEMBL
300527,CCNS(=O)(=O)OCC(O)CC(C)[NH3+],0,GDB ChEMBL
126355,C#CC(CC(=O)[O-])C(C)(C#N)C(=O)[O-],0,GDB ChEMBL
142401,O=C1NC2C(=O)C(CO)OCC3C(O)CC1C23,0,GDB ChEMBL
305291,C#CCC1C=CCOCC1C,0,GDB ChEMBL
104604,COC1C(C)C([NH3+])C(C(=O)[O-])C1O,0,GDB ChEMBL
73800,CC(N)(CO)S(=O)(=O)NCCCCC[NH3+],0,GDB ChEMBL
326410,CCCC(C)(CCC)CC(C)CC,1,GDB ChEMBL
388236,COCC([NH3+])(CCO)CCNC=[NH2+],0,GDB ChEMBL
288733,CCC1(CC)OCc2c1ccc(OC)c2N,1,GDB ChEMBL
280805,Cc1cc(F)c2c3c1cnn3C(=O)CC2,1,GDB ChEMBL
305158,N=C1NC2CC2N1C(=O)C(=O)[O-],0,GDB ChEMBL
148371,C[NH2+]CCC1CC2(C)CC(C)(C)C1O2,0,GDB ChEMBL
130182,CC1CC([NH3+])C(O)CC(C)C1C,0,GDB ChEMBL
318105,NC12C(=O)NCC13C(O)CC([NH3+])C23,0,GDB ChEMBL
354402,CCC1CC2CCC(C)(C3CCOC3)C2C1[NH3+],0,GDB ChEMBL
26616,NC(=O)OCC([NH3+])C(O)(C(=O)[O-])C1CCCC1,0,GDB ChEMBL
330896,N#CC1C(N)C1C(NC(N)=[NH2+])C(O)CO,0,GDB ChEMBL
296378,O=C([O-])C1=CCC2C3[NH2+]CCCC123,0,GDB ChEMBL
236756,CC(C=O)C1CC=CC[NH2+]C1CO,0,GDB ChEMBL
235544,CC1C(CO)C2OC1C2([NH3+])C(=O)[O-],0,GDB ChEMBL
217365,CCC1CCCCCOC1=O,1,GDB ChEMBL
76422,C[NH2+]CC1(CO)CC(O)C2CC2C1,0,GDB ChEMBL
246823,CC(O)C1N=CNC(=N)NC(=O)CC(O)C1N,0,GDB ChEMBL
137055,CC1(O)CC2CC1[NH2+]CCCC1CC12,0,GDB ChEMBL
71671,CCOC(=N)N1CC(C(=O)[O-])OC1=O,1,GDB ChEMBL
395919,CCCC1(C(=O)[O-])CC(C2CN2C)C[NH2+]1,0,GDB ChEMBL
301516,N#CCNC1C(O)C2CC([NH3+])C1O2,0,GDB ChEMBL
47245,Cn1cncc1C[NH+]=C(N)N,0,GDB ChEMBL
94613,C#CC1CC(Cc2cccc(I)c2)C(C)CO1,0,GDB ChEMBL
280632,CC(C)C[NH2+]C1C(C)CC2C[NH2+]CC21,0,GDB ChEMBL
348719,N=C1Nc2nc(O)c(c(O)n2)C(=O)NCCO1,1,GDB ChEMBL
242998,CC1C2C[NH+](CCN2)CC2C(C[NH3+])C12,0,GDB ChEMBL
203464,N#CCC1C(=O)N2C(CO)C12,0,GDB ChEMBL
82194,CCC1C(C)C(C)C(CC)C1CC,0,GDB ChEMBL
112529,CC(O)C(C)C1OCC(=O)NC(=O)C(C[NH3+])O1,0,GDB ChEMBL
281793,CCCCC1CC(C)Cc2ccc(C)c(Br)c21,0,GDB ChEMBL
73251,CNC(=O)CCCOCS(C)(=O)=O,1,GDB ChEMBL
143171,CC1CN(C)CC2([NH3+])CC[NH+](C)C1C2,0,GDB ChEMBL
174710,CC(=O)COC1CN(C)C1,1,GDB ChEMBL
299549,CCC#CC(=N)Nc1ccnc(O)c1,1,GDB ChEMBL
3021,CC1CC2CCC(C)(C)CC2C(C)CC1[NH3+],0,GDB ChEMBL
203648,C#CC(C)(C#C)Cc1ccc(Br)c(N)c1,0,GDB ChEMBL
372576,NC(=O)c1ncc(N)nc1Cl,1,GDB ChEMBL
335502,C1=CCn2c(cc3c2CC[NH2+]C3)NC1,0,GDB ChEMBL
240411,C#CCC(N)=[NH+]CC(C)C,0,GDB ChEMBL
73300,CC1C(C)(C)C12CCc1c(Cl)cccc12,0,GDB ChEMBL
161110,CCC1C(CC)C1CCc1ncccc1Cl,1,GDB ChEMBL
246377,C#Cc1cn(C)c(CCOC(=O)CC)c1C#C,0,GDB ChEMBL
146062,C#CCC12CCCC(CC1)C2[NH+]1CCC(C)C1,0,GDB ChEMBL
23435,CCCCC#CC1C(C)C1(C)COCCO,0,GDB ChEMBL
348623,CC1C[NH2+]CCC2OCC(C[NH3+])C2N1,0,GDB ChEMBL
332395,COCC[NH2+]CC(C)(CC[NH3+])OCC(=O)[O-],0,GDB ChEMBL
334424,NS(=O)(=O)C1OC2CCOC1C(O)CC2[NH3+],0,GDB ChEMBL
174683,CC(C)CC(C)C(C)(O)CO,1,GDB ChEMBL
275546,N#Cc1c(Cl)cc2c(C#N)c[nH]c2c1[O-],1,GDB ChEMBL
77836,NC(=O)C1NC(C[NH3+])C(C[NH3+])C(O)C(O)C1[NH3+],0,GDB ChEMBL
182879,C=CC(C)C1(C)CC2CCCC1C2,0,GDB ChEMBL
204842,C=CC(CC1C[NH+](CC)C1)[NH2+]CC,0,GDB ChEMBL
73847,Brc1ccc(NCCC2CN=CO2)nc1,1,GDB ChEMBL
354326,C#CCC(C)C1C2CC=CCCCC21,0,GDB ChEMBL
11711,CCc1cc2c(cn1)CC(C#N)C(=O)C=C2,1,GDB ChEMBL
295883,C[NH2+]C1C(C[NH3+])C(C)C2OC12,0,GDB ChEMBL
330126,CC1=CC(C(C)C(=O)[O-])[NH2+]C1,0,GDB ChEMBL
68508,CN1C(=O)N(C=N)CC(OCCO)C1C[NH3+],0,GDB ChEMBL
171856,CCCCC1(CO)CCC(O)(C(C)(C)C)CC1,1,GDB ChEMBL
46863,[NH3+]CC(C[NH3+])C(O)CNC=[NH+]C(CO)CO,0,GDB ChEMBL
286104,CCOC12C#CC(C)CNC(=O)C(C1)C2,0,GDB ChEMBL
45061,CC1CNC(=O)CCCC(O)C(CO)O1,1,GDB ChEMBL
174823,N#CC(O)CNCC1OCCC1[NH3+],0,GDB ChEMBL
85074,CC1OC(N)=NC(C(=O)[O-])CC1O,0,GDB ChEMBL
245825,CCc1ccnc(=N)cc1OC,0,GDB ChEMBL
201374,COC1C(CCC=O)C[NH2+]C1C,0,GDB ChEMBL
47530,C=C(C)C(CC(C)NC=O)OCC,1,GDB ChEMBL
77259,OCC(O)CC[NH+]1CCC1,0,GDB ChEMBL
1934,CNS(=O)(=O)C1CN(C(C)C)C1=O,1,GDB ChEMBL
252909,CC(=CC1CC1)N(CCN)C(N)=[NH2+],0,GDB ChEMBL
210941,CCCC1(CC)CCC(C)(O)C(C)(C)C(C)C1,0,GDB ChEMBL
112822,N#C[C-]1C(=O)NCC(C#N)C(O)(C(=O)[O-])C1O,0,GDB ChEMBL
181179,NC(=O)OCC([NH3+])C(C(=O)[O-])C1CO1,0,GDB ChEMBL
263974,CCc1cc(I)c2ccc(C)c(C)c2c1CC,1,GDB ChEMBL
206819,CC(=O)NCCCC1(C)CC2C[NH+](C2)C1C,0,GDB ChEMBL
34739,CC(C)Oc1n[nH]cc1CC[NH2+]CCC=O,0,GDB ChEMBL
4894,N#CC(CC(N)=O)OCCO,1,GDB ChEMBL
66719,C#CC1(C)C(CC)C(C)(C)CC2CCC[NH+]21,0,GDB ChEMBL
209479,CCC1CC(C)CC(=O)OCOC1CNC=O,0,GDB ChEMBL
138388,CCCCN(C)C=[NH+]Cc1cnco1,0,GDB ChEMBL
384299,C#CCC12CCOC(CC1)C(C)C2,0,GDB ChEMBL
271322,CC(=O)CC(C(=O)[O-])C1CNS(=O)(=O)O1,0,GDB ChEMBL
291498,CC12CN(C(=N)N)C(=O)C3[NH2+]CC1C32O,0,GDB ChEMBL
39932,COC(=O)C1C2[NH2+]C1C(O)C2O,0,GDB ChEMBL
259130,CCC(O)CC(=O)NC(=N)c1nocc1C#N,1,GDB ChEMBL
308663,C#CC(C)C#CCC[NH+](CCC)C(C)C,0,GDB ChEMBL
121529,CCCCc1occ(C(CCC)C(C)C)c1C,1,GDB ChEMBL
335449,CC1CC2CN(CCOC(=O)C(CO)O2)C1=O,1,GDB ChEMBL
35737,C[NH2+]C1CC#CC(C=O)COCC1,0,GDB ChEMBL
210181,C=C(C)CC(=CC)CCNC(N)=O,0,GDB ChEMBL
216147,N#CCOC1CC([NH3+])CNC(=O)C(=O)NC1=O,0,GDB ChEMBL
93457,CC(O)C([NH3+])C1C(=O)OCC12C[NH2+]C2C,0,GDB ChEMBL
75036,CC(C)C1CC=CCC=CC1C,0,GDB ChEMBL
217667,COC(=O)C1C(N)C(N)=[NH+]CC(C)C(C)C1O,0,GDB ChEMBL
126619,NC(=O)Cc1cc2c[nH+]c(N)c(O)c2[nH]1,0,GDB ChEMBL
396137,CC1=C(C)C(N2CC2)Cc2ccc(Cl)cc21,1,GDB ChEMBL
76080,C=C(C)CC1(C=CC)CC[NH2+]CC1,0,GDB ChEMBL
126913,CCC1(CC)C=CC=CCCC(C)C1,0,GDB ChEMBL
135438,CCC(O)(C[NH3+])C1([NH2+]CCCO)CC(O)C1,0,GDB ChEMBL
353521,C[NH2+]CC(C#N)C(C)C1C(N)C1[NH3+],0,GDB ChEMBL
104350,Nc1noc(C(=O)[O-])c1C[NH3+],0,GDB ChEMBL
103532,CC(C(O)C#N)C(C)(C)O,1,GDB ChEMBL
388265,C#CCNC(=O)N(C)CC#CC(C)(C)C,1,GDB ChEMBL
140349,CCC(CC)c1c(C)nc2cc(Br)ccn12,1,GDB ChEMBL
385443,N#CC1(NCCO)CC=CC=CC1,0,GDB ChEMBL
216513,C[NH2+]CC(=O)CNC(=O)CNCC(=O)CO,1,GDB ChEMBL
61797,N#CCC1CCCCCCC1O,1,GDB ChEMBL
330341,OCCC1CCC([NH+]2CCOCC2)C1,0,GDB ChEMBL
4937,NC1=Nc2nc(N)sc2OCCCNC(=O)N1,0,GDB ChEMBL
267888,CC(C)C(O)CC12CC([NH3+])C=CC(=O)N1C2,0,GDB ChEMBL
125644,CC(OC1CN(C)C1C(N)=O)S(N)(=O)=O,0,GDB ChEMBL
333063,CC(CCCOc1nnon1)C(=O)[O-],0,GDB ChEMBL
7432,CNC1C(O)C([NH3+])C(CO)C1(C#N)CN,0,GDB ChEMBL
71319,CNc1nc(=O)c(N)cc2c1CCNC(N)=[NH+]2,0,GDB ChEMBL
128334,C[NH2+]C1CC(CO)C(=O)N(CC(C)O)CC1N,0,GDB ChEMBL
80338,CCC1CC2CC3CCCCC(CC)(C3)C1C2,0,GDB ChEMBL
296344,CNC(=[NH2+])C(CO)Cc1ncc(C)c(C)c1F,0,GDB ChEMBL
62793,C[NH2+]C(C)CC1(COC)COCC1[NH3+],0,GDB ChEMBL
107646,CCC1[NH2+]CC=C1CC[NH3+],0,GDB ChEMBL
287026,CC(C)C(=[NH2+])NC(CC(C)(C)C)C(C)O,0,GDB ChEMBL
6115,CCCC12CCOCC=C1CC[NH2+]C2,0,GDB ChEMBL
47806,C[NH+]1CCC(C)(C(F)(F)F)CC(C)(C)C1,0,GDB ChEMBL
29190,Cc1noc(CN(CC(=O)[O-])C(=O)C(=N)N)n1,0,GDB ChEMBL
229462,C[NH2+]CCN1CCC(C2CC2)C(O)C(C)C1,0,GDB ChEMBL
25213,C=C1C(NC)=[NH+]CCCC1C(=O)[O-],0,GDB ChEMBL
261451,CC1CC1(C)C1CCCC[NH+]1CC(N)=O,0,GDB ChEMBL
242603,C#CCC(C)CCCCC1CCNC1=[NH+]CC,0,GDB ChEMBL
280427,Cc1nc(C=CC(=O)C(=O)[O-])c[nH]1,1,GDB ChEMBL
121103,[NH3+]CC1(CC2CC2)CCCCCCC1,0,GDB ChEMBL
398930,O=C([O-])C12OC3CC1C2C3,0,GDB ChEMBL
338497,CC1(C)CCCCC2CCCC2CC1,0,GDB ChEMBL
300227,CCC1OC2(CC2)C(C)C1O,1,GDB ChEMBL
133185,CC1NCC2CC(OC1=O)C1CC2NC(N)=[NH+]1,0,GDB ChEMBL
169384,CC1CN1C1(C(=O)[O-])CCC(O)C1[NH3+],0,GDB ChEMBL
142901,CCCCC1OCC12C1C=CC2C=C1,0,GDB ChEMBL
108152,CCCCCC1[NH2+]CC=C(C)CC1C,0,GDB ChEMBL
359133,C=C(C)C1(c2ccncc2)C[NH2+]C1,0,GDB ChEMBL
320258,CC(C)CC1C=C(C(=O)C(C)C)C[NH+]1C,0,GDB ChEMBL
77005,CCC1=CCCC(CC(C)C)CC=C1,0,GDB ChEMBL
40276,CCOc1nsnc1C(=O)C(C)(C#N)COC,1,GDB ChEMBL
338330,CN1CC2CC23[NH2+]CC=CCC([NH3+])C3C1=O,0,GDB ChEMBL
18820,CCCC12CC(O)C3C[NH2+]C1C32,0,GDB ChEMBL
26361,CC1=CCc2ccc(cc2)NCCC1,1,GDB ChEMBL
29198,NC(=O)NC(=O)CC(O)C1([NH3+])CCC(O)C1N,0,GDB ChEMBL
148002,CC1(C)C(CCC=O)N1C(=O)CC(=O)[O-],0,GDB ChEMBL
24738,CCCC(C)(C)Cn1cc(Br)c(O)cc1=O,1,GDB ChEMBL
199049,COC1C(CO)C([NH3+])C1(C)NS(C)(=O)=O,0,GDB ChEMBL
382627,CCC1CNC(=O)C2C3([NH3+])CC([NH3+])CC123,0,GDB ChEMBL
40269,C#CCC1CC2CC=CCC1(C)CC2,0,GDB ChEMBL
95206,C=CC(C(=O)CCCC)C(C)CO,0,GDB ChEMBL
53078,O=c1cc2[nH][c-]1CCC[NH+]1CCC(C=C2)C1,0,GDB ChEMBL
396143,CCC(=O)CC1[NH2+]CC2CC21,1,GDB ChEMBL
382476,C#CC1=CC(C)CCCC(CC)(CCC)C1,0,GDB ChEMBL
181567,NC(=O)OCC1C2CC(C(N)=O)C(CO)N12,0,GDB ChEMBL
294481,CC1C=CC(=O)CCC1(C)C,1,GDB ChEMBL
214710,CC1OC2C=CC(CC2)NC1=O,1,GDB ChEMBL
122722,CC1CNC2(C#N)C(O)C2C(CC[NH3+])C1,0,GDB ChEMBL
234961,CCC1C(=O)CC2C([NH+](C)CC1C)C2(C)C,0,GDB ChEMBL
95938,C[NH2+]C(C)COC(=O)NC(N)=NCC(N)C[NH3+],0,GDB ChEMBL
330914,CC(=[NH+]C1CC1)N(C)CC(C)C,0,GDB ChEMBL
133022,CNC(C[NH3+])C1(C)OC1CO,0,GDB ChEMBL
347934,CC(O)C1C(=O)NC(C(=O)[O-])C1(C)O,0,GDB ChEMBL
118856,CCCC1C2C=CC1C1C([NH3+])C21,0,GDB ChEMBL
340157,CCCn1nc(NC=N)cc1C(C)C,1,GDB ChEMBL
259471,CC1CC[NH+](C)CC(=O)NC1,0,GDB ChEMBL
345470,C[NH2+]CCCCC(=O)C=CC(N)=O,0,GDB ChEMBL
160822,COCC([NH3+])C1CC2[NH2+]CC(C)C2N1,0,GDB ChEMBL
85640,Cc1c2cc(Cl)c(c1C)CC(N)=[NH+]CCCC2,0,GDB ChEMBL
217123,CCNC(=O)C1C(C(N)=O)[NH2+]CC1(O)C(=O)[O-],0,GDB ChEMBL
62108,Cn1nccc1C(C(N)=O)C(C)(C#N)C#N,0,GDB ChEMBL
235616,C#CCOC(C)C1CCCC[NH2+]1,0,GDB ChEMBL
353256,C1CC2C([NH2+]C3CC3)CCC2O1,0,GDB ChEMBL
348410,CCNC(=O)C12CC(O)C([NH3+])C1O2,0,GDB ChEMBL
80223,C=CC1(C)OC2CC(C)C[NH2+]C1C2,0,GDB ChEMBL
218817,COC(C(C)O)C1C2CCOCC21[NH3+],0,GDB ChEMBL
130884,Cc1ncnc(Cl)c1CNC(C)C=O,1,GDB ChEMBL
34425,COCC(C)C(C)C1C([NH3+])C1C1CC1,0,GDB ChEMBL
155798,C#CC([NH3+])C(C)(CCCC(=O)[O-])NS(C)(=O)=O,0,GDB ChEMBL
285088,CNC1(C(C)O)C(CC#N)C1NC(N)=[NH2+],0,GDB ChEMBL
376663,COCc1csnc1NC=NCC(N)=O,0,GDB ChEMBL
263260,N#CC(O)C1OC(=N)NC(=O)C1CC(N)=O,0,GDB ChEMBL
115173,CC1CCCCC2(CC2)C1(O)CC(F)(F)F,1,GDB ChEMBL
252108,CCC(C)C(CC(C)(C)C)c1cccc(C)c1,1,GDB ChEMBL
87492,CCC1Cc2c(N)ccc3c2C1(CO)[NH2+]C3,0,GDB ChEMBL
144637,COC(C)C1CNC=[NH+]CCN1,0,GDB ChEMBL
306377,CC(=O)N(C)C=NCCC=O,1,GDB ChEMBL
118404,CCC([NH3+])c1c(C)cn2c(C)cnc2c1C,0,GDB ChEMBL
66146,CC1CCCCC2(CO)CNC3(C#N)C1C23,0,GDB ChEMBL
108719,CCC(Cc1cc(O)ccc1Cl)[NH+](C)C,0,GDB ChEMBL
289997,CC(C)c1cc(C=O)n(C)c1,1,GDB ChEMBL
376993,CC(O)C1[NH2+]C2COCC2C1C,0,GDB ChEMBL
239388,C#CC(C)CC1CCCC(CCO)C([NH3+])C1O,0,GDB ChEMBL
303311,C#CCC(C)C(C)(C)CCC[NH3+],0,GDB ChEMBL
266220,C#CC1(c2ccccc2F)CCN1CC,0,GDB ChEMBL
241097,C#CCC(=O)NC1=CCC[NH+](C)CC1O,0,GDB ChEMBL
203612,CC1=CC2C(=O)CC(C)(C)CC2C1O,0,GDB ChEMBL
61658,CC1(C)NC(=O)C2CN2S(=O)(=O)C1C(=O)[O-],0,GDB ChEMBL
40014,CC(C)NC1C[NH2+]CC1C(=O)[O-],1,GDB ChEMBL
308257,CCC(C)NC(=[NH2+])C(CC[NH3+])CC(N)C[NH3+],0,GDB ChEMBL
104595,Cc1cccc2c1C1C(C)C(C)CC13CC23,0,GDB ChEMBL
386572,Cc1cnc(C2=NCC(C#N)(C(=O)[O-])N2)nc1,0,GDB ChEMBL
197249,C#CC1C[NH2+]C2CCCC(C)(C2)C1(C)CCC,0,GDB ChEMBL
385660,NC(=O)C1CN1C(=[NH2+])NCC=O,0,GDB ChEMBL
83157,CC(O)C(NCC#N)c1ccns1,1,GDB ChEMBL
227602,C[NH2+]C1CC(C)[NH2+]C(CO)C(O)C1CC(=O)[O-],0,GDB ChEMBL
22029,O=C1COC(=O)CC(O)C1,1,GDB ChEMBL
101003,C#CS(=O)(=O)Nc1ccccc1,1,GDB ChEMBL
287024,CCCC(C)C1C[NH2+]C(C)C(C)C1C,0,GDB ChEMBL
247326,COCCN1CC1C(C)([NH3+])C(=O)[O-],0,GDB ChEMBL
31748,N#CC1(C=O)C[NH2+]C(Cn2cnnn2)C1,0,GDB ChEMBL
250542,Nc1c[nH+]c2n1CC(=O)NC1CC21,0,GDB ChEMBL
228422,CN1CC1(C)C[NH2+]CC(=O)[O-],0,GDB ChEMBL
337101,CC1CC2C[NH+]1CC[NH2+]C1CC21,0,GDB ChEMBL
222063,CC1N(C=O)CC2CC(C(=O)[O-])=CC21[NH3+],0,GDB ChEMBL
34213,NC1C(=O)OC2CC(O)CC(O)(C[NH3+])C21,0,GDB ChEMBL
394362,CC=CC[NH+]1C2CC3CC1C1C3C12,0,GDB ChEMBL
259551,C[NH2+]C1CC1C1C[NH2+]C(C=O)CC1C,0,GDB ChEMBL
339110,CCCCc1ccc(Cl)c(C2CC=CC2)c1,1,GDB ChEMBL
362653,CCC1=CC2C(C(N)=O)C1(C[NH3+])C[NH+]2C,0,GDB ChEMBL
156061,CCCC(=O)C1OCC(=O)C1(C)[NH2+]CC(C)C,0,GDB ChEMBL
270075,CCC(Nc1n[nH]nc1N)C(C[NH2+]C)C(=O)[O-],0,GDB ChEMBL
50123,CC#CC(C)(O)CC1COC2CCCC12,1,GDB ChEMBL
355154,CCCC1CCC(C(C)(C)CC)CC1CCC,1,GDB ChEMBL
92897,NCC(=O)OC1CC(CS(N)(=O)=O)C1,0,GDB ChEMBL
319336,CCC1(C2CC=CC(C)C2)CCCC1,0,GDB ChEMBL
104629,CC1OC(=O)NC(=O)C(O)C(O)C1=O,1,GDB ChEMBL
34453,CC(C)OC(CC([NH3+])CO)CC1CO1,1,GDB ChEMBL
276294,Cc1cc(C(C)(C)O)c(O)c(C(C)(C)O)c1Cl,1,GDB ChEMBL
53698,N#CC12C=CC(O)C1C2OCC(=O)[O-],0,GDB ChEMBL
70990,CCOCC(=O)NCC#N,1,GDB ChEMBL
104366,CCCC1(C)C(C)C(O)C2C1C2(C)OC,0,GDB ChEMBL
369279,C[NH2+]C12CCC(C3CCC4CC[NH+]3C4)(C1)OC2,0,GDB ChEMBL
317141,CC(C)(O)CC(O)CC(N)=O,1,GDB ChEMBL
39727,NC(=[NH2+])NC1CC2COC1C1CC1[NH2+]2,0,GDB ChEMBL
70096,CCNc1c[nH]c2c1CCC2,1,GDB ChEMBL
289266,C#CCCC([NH3+])CCC[NH2+]C,0,GDB ChEMBL
44137,CCCCC1(C)CC=CC=C(CC)C1,0,GDB ChEMBL
124522,CCC1(C(C)C)CC12CCCCC2C,0,GDB ChEMBL
155136,CCC12COC(C(O)C1)C2O,0,GDB ChEMBL
345450,[NH3+]CCC(CO)C(O)C(F)(F)F,1,GDB ChEMBL
270031,CC1CC([NH3+])(C(=O)[O-])C2C(C)N2C(=O)C1[NH3+],0,GDB ChEMBL
191552,COC(C)(C)CC1C=CCC2=CCCC21,0,GDB ChEMBL
295937,C#CCCCOCCC1=CCCCC1,1,GDB ChEMBL
9876,CCC1CCCC(C(F)(F)F)NC(CC[NH3+])=[NH+]1,0,GDB ChEMBL
50374,Cc1cccoc(C)cc(C2CC2C)c1,0,GDB ChEMBL
77529,C=C1C(C)CCC2(C)CCCCC12,1,GDB ChEMBL
216470,[NH3+]CC1CC2(CC=CC=CC(=O)NC2)C1,0,GDB ChEMBL
50098,CC1([NH3+])C(CCO)C1(N)C(N)=O,0,GDB ChEMBL
208549,N#CC1CC(=O)N(CC(=NO)C2CC2O)C1,1,GDB ChEMBL
165917,Cc1ccc(Cl)c2c1C(C)C1C(C)C21C,0,GDB ChEMBL
120838,COC(C)CC(=O)C1CC1,1,GDB ChEMBL
203266,CCC1C(C)CC2CCC(C)C(C2)CC1(C)C,0,GDB ChEMBL
266462,CCCC=CC(C)C(C)=CC1CC1,1,GDB ChEMBL
112517,CCC1CC(O)CC([NH3+])C12CO2,0,GDB ChEMBL
70359,CC1=CC=C(C)C1C([NH3+])CC(C)O,0,GDB ChEMBL
19357,COCc1cc(Br)cc(C2CC([NH3+])C2)n1,0,GDB ChEMBL
26871,CCCC12CC(C)(CC[NH2+]1)CCC(O)C2=O,0,GDB ChEMBL
368193,CCC(O)c1cc(C)c(C#N)c(C=O)c1CO,1,GDB ChEMBL
305499,CC(=O)NC1CC[NH2+]C1(CN)CN(C)C,0,GDB ChEMBL
338390,CC1CC([NH3+])CC(=O)N(CCO)CC(=O)N1,0,GDB ChEMBL
339026,C[NH2+]C1C2=NCCNC(C[NH3+])C1CC(=O)N2,0,GDB ChEMBL
1080,CCC1(C)C(=O)COC2CC1C2,0,GDB ChEMBL
264931,C#CCC(=O)c1oc2cc(F)cc(F)c2c1N,1,GDB ChEMBL
184069,CC#CC(CCCC)[NH2+]C1CC1C,0,GDB ChEMBL
91217,CCC(=O)CC(C[NH+]=C(N)N)C1(O)CC1,0,GDB ChEMBL
139815,CCC1(CCC(O)C[NH3+])OC1CO,0,GDB ChEMBL
204606,CCC(C)C1CC2C[NH+]1CC2CCO,0,GDB ChEMBL
67841,CCC(Cc1cnc(C)c(C(C)C)c1O)OC,1,GDB ChEMBL
11273,N=C1OCC2C(CO)(CCC(=O)[O-])C12O,0,GDB ChEMBL
254882,CCC1CC(C)CC1CC(C)C1(C)CCCC1,0,GDB ChEMBL
136086,CC(C)CC1CC(C#N)CCC1C1CCCC1,0,GDB ChEMBL
277780,CCC(O)C12CC1C(C)(CC[NH3+])OC2C,0,GDB ChEMBL
206999,CCCCC1(CCC)C(C)CCCC1C(C)C,0,GDB ChEMBL
271382,CCCC(C)C1(C(CC)C[NH3+])CCCC(C)O1,0,GDB ChEMBL
133013,CC1CC2[NH2+]CC2(C[NH3+])C1O,0,GDB ChEMBL
194421,Cc1cnc(=N)sc(N)nc(N)[nH+]c1C(N)=O,0,GDB ChEMBL
307530,CCNC(=O)N1CCn2c(OCC#N)cnc21,1,GDB ChEMBL
150121,CCCc1cccc(CCNC=[NH2+])c1Cl,0,GDB ChEMBL
77499,CCOC1(C)C(=O)N2CC(C)C(C)C2C1[NH2+]C,0,GDB ChEMBL
214004,O=C1CC(n2ncnc([O-])c2=O)CN1,0,GDB ChEMBL
83115,C#CC1(CCCC)C=C(C)CCCCC1,0,GDB ChEMBL
6530,CC(O)C1NCC(=O)NC2CC21O,0,GDB ChEMBL
259671,[NH3+]C(C(=O)[O-])C1C2CCCCC21O,0,GDB ChEMBL
362039,N#CCC(=NCCCO)Nc1ncc(O)cn1,0,GDB ChEMBL
67337,CC1CCCC(C=O)=CCCC(C)(O)C1,0,GDB ChEMBL
384234,Cc1cc(N)c(CCO)[nH+]c(=N)c1,0,GDB ChEMBL
104628,C=CCC1=CC(CC(C)C)C(C)C1,1,GDB ChEMBL
89351,CCC(C)OCC1(C)C(OC)C1C(F)(F)F,0,GDB ChEMBL
34205,NC(=O)C1(CC([NH3+])CO)C([NH3+])C=CC1[NH3+],0,GDB ChEMBL
198829,CC(O)C1C[NH2+]C2(CC[NH3+])COC(=O)C(O)C12,0,GDB ChEMBL
379735,CCC(C)NC1C(O)C1(C#N)NC,0,GDB ChEMBL
194708,Cc1nc(C(C)CCCC(F)(F)F)cnc1Br,0,GDB ChEMBL
98856,N#CC(N)COCC1CC1NC(N)=[NH2+],0,GDB ChEMBL
242930,CC(O)C1[NH2+]CC2OC(=O)C2C(C#N)C1O,0,GDB ChEMBL
265520,CC[NH+](C)C1C(CO)C(OC)C(=O)C2OC21,0,GDB ChEMBL
22537,CC#CC1CC2(CCC1C)C[NH2+]C2,0,GDB ChEMBL
202796,C#CCCC(CCCCCC)C1CC1,1,GDB ChEMBL
190103,CC(O)C1CC2CC(C)C(C#N)C(C)C[NH+]1C2,0,GDB ChEMBL
197063,CCc1c(N)nc(OCCC(N)=O)c(F)c1C,1,GDB ChEMBL
85075,C=CC1C(C)OCC1C(C)C1CC1,0,GDB ChEMBL
350894,CC(O)C(NCC#N)C(O)CO,1,GDB ChEMBL
100701,CCCCC1CC2CCC(C)CCC(C)C2C1,0,GDB ChEMBL
275617,C=C(C(C)COC)C1CC2CC2C1,0,GDB ChEMBL
123008,CCC1(CO)C(O)CC(C)C([NH3+])C1OC,0,GDB ChEMBL
51868,CCC1C(C)=CC2CC1CCCC2C,0,GDB ChEMBL
343974,CC1=CC(C#N)[N-]C(=O)C(=O)C1O,0,GDB ChEMBL
76780,C#CC1=C(CC)C(=O)CCCC[NH+](CC)C1,0,GDB ChEMBL
112597,C#CC1CC(O)C(C(N)=O)C1C(CC)[NH+](C)C,0,GDB ChEMBL
130494,NC(C(=O)Nc1ncon1)C(O)CO,1,GDB ChEMBL
247221,CCCOC1CN(C)CC(=N)O1,1,GDB ChEMBL
287037,CNC(=O)OCC1C(O)C1O,0,GDB ChEMBL
370382,CC(O)C[NH2+]C1C2CC(O)(CN2C)C1O,0,GDB ChEMBL
323210,C#CC1(C)C=C(CC)CC(C)[NH+](CC)C1,0,GDB ChEMBL
165210,Cc1nc(N)c(C(N)=[NH2+])nc1N,0,GDB ChEMBL
384839,CC(=O)OC12CN(C=O)CC(O)C1C2[NH3+],0,GDB ChEMBL
386152,CCCC1CC(C)CC(=O)C(C[NH+](C)CC)C1,0,GDB ChEMBL
326479,C[NH+]=C(N)CC(N)CC(=O)OC,0,GDB ChEMBL
353965,CCC1CC(CO)C2C([NH2+]CC=O)C12,0,GDB ChEMBL
98623,CC(C#N)Nc1cc(O)n(CC(=O)[O-])c1N,0,GDB ChEMBL
171862,CC(C)=CC[NH+]1C(CO)CC1(C)C,0,GDB ChEMBL
102331,CN1C(=O)C=CCC=C1C1CC[NH2+]C1,0,GDB ChEMBL
357671,CCNS(=O)(=O)OCCOCC(=O)[O-],0,GDB ChEMBL
208437,CNc1[nH+]ccn1C(C)(C)C,0,GDB ChEMBL
51883,Nc1c(C[NH3+])cnc2ccc(F)c(=O)n12,0,GDB ChEMBL
386521,CCC(Cc1ccc(Br)c(NCC[NH3+])c1)OC,1,GDB ChEMBL
358606,CC(C)C[NH2+]C1C(O)C1O,0,GDB ChEMBL
392771,C#CC([NH3+])c1cnccc1CO,1,GDB ChEMBL
313337,CCC1C=CC2C3C(C)CCCC3CC12C,0,GDB ChEMBL
286161,NC(=O)C12CCC(CC1)O2,1,GDB ChEMBL
190437,CC1CC2(C)C[NH2+]C(C2)C1C1CC1,0,GDB ChEMBL
190105,C[NH2+]C1C(C(=O)N(C)C)C=C(C)C1CO,0,GDB ChEMBL
378620,CCC(=N[O-])C1(O)CC(CC(=O)[O-])OC1=O,0,GDB ChEMBL
350921,CN1CC1C(C)([NH3+])C(=O)[O-],0,GDB ChEMBL
34915,C=CCC1C2CN1C(C#N)C2OC,0,GDB ChEMBL
60997,CCC1=CCC(Cc2ccccc2Br)CC1,1,GDB ChEMBL
300900,CCC1(O)C2CNS(=O)(=O)C21C(N)CC(N)=O,0,GDB ChEMBL
314148,CC(=O)N1C(=N)C(C)C(CO)C(N)C1=O,0,GDB ChEMBL
190425,CC12CCC[NH+](CC3CC31)C2C(=O)CO,0,GDB ChEMBL
36002,CC1C2=C(CCCC=C2)Cc2cccnc21,0,GDB ChEMBL
50073,CCC(=O)C1(C(C)(O)CC(=O)[O-])OCC1C,0,GDB ChEMBL
365715,NC(=[NH2+])NCC(O)C(NC=O)C(=O)[O-],0,GDB ChEMBL
337196,CNc1nc(C)c(O)n1C(N)=O,0,GDB ChEMBL
348436,CC(C)OC(=O)NCc1nc(N)ns1,1,GDB ChEMBL
56614,CC1CCC2C3CC([NH2+]CC3C)C2C1,0,GDB ChEMBL
341166,C[NH2+]C(C)C(C)(C)N(CCC[NH+](C)C)C(C)C,0,GDB ChEMBL
75806,COC1C(C=O)C=CC(O)C1O,1,GDB ChEMBL
377335,NC(=O)C(N)CNc1[nH+]c(N)cc(=O)s1,0,GDB ChEMBL
377951,CCCC1(C[NH2+]C)C2CCC(=O)OC21,0,GDB ChEMBL
140392,O=C(CO)NCCNc1n[nH]c(=O)s1,1,GDB ChEMBL
330149,CC1=C(C(=O)[O-])COC(=O)C1,0,GDB ChEMBL
140777,COC(=O)CC(C[NH3+])C(O)C(O)c1cnn[nH]1,0,GDB ChEMBL
312864,C#CC1CC2NC(CC(C)C(C)C2=O)CN1C,0,GDB ChEMBL
319175,CCCC1C2CC(C)CC(C2)CC1C(C)CC,0,GDB ChEMBL
183441,O=C1CC2CC(O)CC23C(O)CCN13,0,GDB ChEMBL
106650,C#CCC1NCC(C#N)CC2CNC(=O)OC21,0,GDB ChEMBL
190807,CN1C2C(=O)N(C(N)=O)CCC(O)C21,0,GDB ChEMBL
333610,CCCC1=CCN(C=O)C1C(C)(C)C,1,GDB ChEMBL
103395,CCCC1=CCC2(C)CCC(CC2)C1,0,GDB ChEMBL
80337,CC(C(=O)N(C)C(=O)CCO)S(=O)(=O)[O-],0,GDB ChEMBL
317309,OCC1C=CCC(O)CO1,1,GDB ChEMBL
119659,CCC1C([NH3+])C(OC)C(O)(C[NH3+])C1O,0,GDB ChEMBL
10580,CC1([NH3+])C(CC(N)=O)C(CO)C2OC21,0,GDB ChEMBL
185931,CCCN(CC[NH2+]C)C(=N)C(=O)C#N,0,GDB ChEMBL
13899,CCC(C)C1C=CC2C(C1)[NH2+]CC2(C)C,0,GDB ChEMBL
375736,CCC(O)C1NC(C)C(C#N)C(C(N)=O)C1[NH3+],0,GDB ChEMBL
383007,CNC(=O)C1CS(=O)(=O)CC(N)=N1,1,GDB ChEMBL
142550,CCC(C)C1CC=C(C)C=C(C)CCC1,0,GDB ChEMBL
177171,CC([NH3+])CC(N)=[NH+]CCNC(=[NH2+])NCC#N,0,GDB ChEMBL
280666,CNC(CNC(N)=[NH2+])C1([NH3+])CC2OCOC2C1,0,GDB ChEMBL
388266,CC12CN(C1)C(C#N)CO2,1,GDB ChEMBL
277845,CC1CC(CC(N)=O)CC2CC12,1,GDB ChEMBL
11380,CC1(C(N)C#N)C(C(O)C[NH3+])N1S(C)(=O)=O,0,GDB ChEMBL
43955,NC(=O)C1CNS(=O)(=O)CC(=O)OC1,1,GDB ChEMBL
230207,COCCNC(C(C)(C)C)S(N)(=O)=O,0,GDB ChEMBL
214854,CNc1nc(OC(CO)C[NH2+]C)n(C)c1C=O,0,GDB ChEMBL
394311,CCC(C#N)C(=N)NC(C)=O,1,GDB ChEMBL
181141,CC1=C(c2ccccc2)C(C)CC1O,0,GDB ChEMBL
254271,CCCCC1(C(=O)C(C)=N[O-])C[NH+]=C(N)N1,0,GDB ChEMBL
369851,CC1C(O)C2CN(C2)C1C#N,0,GDB ChEMBL
210151,CC(C)Cn1c(Cl)c(C#N)c(N)nc1=O,1,GDB ChEMBL
76481,C[NH2+]C1CCNS(=O)(=O)C2C(O)C12,0,GDB ChEMBL
67835,NC(=[NH2+])Nc1cc(=O)[nH]nc1N,0,GDB ChEMBL
283947,CC12CC(C(=O)[O-])(C(CO)[NH2+]1)C2N,0,GDB ChEMBL
242990,[NH3+]CCNC1C(O)C2NC2C1O,0,GDB ChEMBL
392757,C[NH2+]C1C2CC(C)CC(C2)C1[NH3+],0,GDB ChEMBL
379865,COCC1C2[NH2+]C(CC2OC)C1OC,0,GDB ChEMBL
218804,N#CC12CNCC(N1)C(=O)NC2=O,0,GDB ChEMBL
201102,COC1CC2CC(CCC[NH2+]2)CC1C,0,GDB ChEMBL
204483,C#Cc1cncnc1C(C=O)CC(C)C,1,GDB ChEMBL
81153,CCCCC1C[NH2+]C2C[NH+]=CN(C)C2C(O)C1,0,GDB ChEMBL
260723,C#CC[NH2+]C(CC#CC)C1OC1(C)C,0,GDB ChEMBL
107842,COC1(C)CC2=CC(=O)CC2C1C(C)C,0,GDB ChEMBL
250601,CCC=CC=C(C)C(C=O)C(C)O,0,GDB ChEMBL
103936,COCCC(O)C1=[NH+]CC(C)N1,0,GDB ChEMBL
271818,CCC(CCOCCO)N(C=O)S(C)(=O)=O,1,GDB ChEMBL
80474,COc1cc(=O)ccc(N)c1C#N,0,GDB ChEMBL
193181,CC1C(CO)OC(=N)N1C(N)=O,0,GDB ChEMBL
143820,CC(O)(CO)CN1CCC([NH3+])C1,1,GDB ChEMBL
159910,CCCCC(CC1(OC)CCCC1)C(C)CC,1,GDB ChEMBL
15558,CCC1CC(C)(C)CC2C=C(C)CCC21,1,GDB ChEMBL
382992,C=C(C#N)C1(O)C([NH2+]C)C1C(=O)[O-],0,GDB ChEMBL
23444,CCC1CC(NCC[NH2+]C)C(C)(C(N)C#N)[NH2+]1,0,GDB ChEMBL
248228,CCc1ccc(OC(C)CO)c(=O)n1C,1,GDB ChEMBL
304270,CC1C2C[NH+](C(C)C)C1CC2Nc1cccs1,0,GDB ChEMBL
308336,CC1OC(=O)C(=O)NCC=C1CC#N,0,GDB ChEMBL
310132,CC1CC=CC(C)[NH+](C)CC1,0,GDB ChEMBL
271808,COCC1C[NH2+]CC2=C1CC(C)(C)C2,0,GDB ChEMBL
48018,CC(CO)C1(O)CC1[NH2+]CCNS(C)(=O)=O,0,GDB ChEMBL
271332,N#CCC(C(O)CC(N)=O)S(N)(=O)=O,0,GDB ChEMBL
266511,CC1OC(=O)CC1(C)N(C)C(=O)CCO,0,GDB ChEMBL
132477,CS(=O)(=O)NC(C=O)C1COC1=O,1,GDB ChEMBL
21898,CCCCCCC1(CC(C)C)CC(C)(C)C1,1,GDB ChEMBL
139807,CC1C(O)C2(CC[NH3+])C[NH+]1C2,0,GDB ChEMBL
59598,CCCCNC(=O)C(C)=NO,1,GDB ChEMBL
354725,CCC12CN(C)C(C(CCC(C)C)O1)C2C=O,0,GDB ChEMBL
337077,CC1(C(N)=O)C2C[NH2+]CC1C2(O)CC[NH3+],0,GDB ChEMBL
59230,CCC1C[NH2+]CC2CC(C)C(C)(C1)O2,0,GDB ChEMBL
173703,CC(CN)[NH2+]C(C)(C)C,1,GDB ChEMBL
375880,NC(=O)c1nc2scnc2c(=O)cc1[O-],0,GDB ChEMBL
341900,CC(O)C(=O)N1C(N)=NCCC1C(N)=[NH2+],0,GDB ChEMBL
302432,CCN(C)C1C[NH2+]C2C1C2(CO)NCC[NH3+],0,GDB ChEMBL
308695,CC[NH+](C)CC(C)(C)CCO,0,GDB ChEMBL
330895,CC1CC1[NH+]1CCCC1(C)C,0,GDB ChEMBL
335518,CCCN(CC)C1(CC)C[NH2+]CC1(C)N,0,GDB ChEMBL
225404,C#CC(OC(N)=O)(C1CC1)C1CC1,1,GDB ChEMBL
249630,NS(=O)(=O)CC1(CCC(C[NH3+])CO)CO1,0,GDB ChEMBL
336568,[NH3+]C1C(=O)NC2C(O)C1C1CCC12,0,GDB ChEMBL
242932,NC(=[NH2+])Nc1cnc(N)cc(=O)n1,0,GDB ChEMBL
33270,[NH3+]C1C2CC#Cc3cc(I)ccc3CCC12,0,GDB ChEMBL
317302,C[NH+]=C(N)CCNC(=O)COC(=N)NC=O,0,GDB ChEMBL
36005,COC(=O)C1C(O)C1C1C=CCC1,0,GDB ChEMBL
183440,N=C1OCC2C([NH3+])CN(C(N)=O)CC(O)C12,0,GDB ChEMBL
284818,NC(=O)OCc1cc2c(s1)CNC(=[NH2+])NCC2,0,GDB ChEMBL
268162,NC(N)=[NH+]C1C(O)CN2CC12C(=O)[O-],0,GDB ChEMBL
99597,CC(=O)N1C(CS(=O)(=O)[O-])C1C([NH3+])C(=O)[O-],0,GDB ChEMBL
347864,C=CC(O)(C(=O)[O-])C(OC)C(N)=O,0,GDB ChEMBL
383732,C#CC1CCCCC2CN1C(C(C)=O)C2=O,0,GDB ChEMBL
29771,CC(O)CC(C)(C)N1CC1,1,GDB ChEMBL
173736,CCC1(c2cccc(I)c2)C=CCC1,1,GDB ChEMBL
357608,CCC1(C)CC[NH2+]CC2(O)CN(C2)C1=O,0,GDB ChEMBL
150535,CC1CC(CC[NH3+])CC12C(=O)OC2C,0,GDB ChEMBL
80313,N#CC1CC=C(C(=O)[O-])C1=NO,0,GDB ChEMBL
252522,COCC1NC(=O)C2C(C#N)C12,1,GDB ChEMBL
348450,C#Cc1ccc2cc1CC=C(C)CCC=C2,1,GDB ChEMBL
280716,CC1=CCC(C(C)C(C)C)C(C)OC1,0,GDB ChEMBL
18841,CC(C)C1=CCC2(O)COC(C2)C1C[NH3+],0,GDB ChEMBL
50951,[NH3+]CC(c1cn[nH]c1)C1C[NH2+]C1,0,GDB ChEMBL
104934,CCC1CC(CC(C)C)C1(C[NH3+])C[NH3+],0,GDB ChEMBL
296343,CC(C)([NH3+])CC1CCc2cocc2OC1,0,GDB ChEMBL
201678,C#CCC(C)(CCCC)C(C)CC(C)(C)CC,0,GDB ChEMBL
222111,Cc1cc(O)c(C([NH3+])C(C)(C)C(C)[NH3+])cn1,0,GDB ChEMBL
262327,CN1CC(CC([NH3+])CO)(c2nnn[n-]2)C1,0,GDB ChEMBL
375485,CCCC[NH+]1CC2C3CC(CC)C(C3)C2C1,0,GDB ChEMBL
89333,CCCC1C2CC(C)C1C(C(C)[NH3+])CC2CC,0,GDB ChEMBL
379707,CC1(C(=O)[O-])CCNC(=O)O1,1,GDB ChEMBL
385475,Cc1c[nH]cc1C(C)C1CCCCC1,1,GDB ChEMBL
132863,Oc1cc2cc(n1)CCOCOCCC2,1,GDB ChEMBL
390517,CCC1CC2CC=CC([NH2+]1)C2C,0,GDB ChEMBL
190458,CCC1C(C)C2[NH2+]CCC3OCC1C32,0,GDB ChEMBL
23935,Cc1ncc(N)cc1NC(C#N)CO,1,GDB ChEMBL
331727,CCC1CC2(C)CC(C[NH+]1C)C(C)C2C,0,GDB ChEMBL
132981,CC1CC=Cc2c[nH]nc2N1,1,GDB ChEMBL
259393,C#Cc1c(Cl)ccc(CC)c1CCC(F)(F)F,1,GDB ChEMBL
34298,CC1=CC(C[NH3+])CC(C2CC2)C1,0,GDB ChEMBL
311620,COC(C)(C)CC(C)c1ncccc1F,1,GDB ChEMBL
18950,CC1C2CCC1(C[NH3+])NC(=O)N2,0,GDB ChEMBL
337116,N#CCn1nc(C[NH3+])c(CCC([NH3+])C(=O)[O-])n1,0,GDB ChEMBL
236042,CNC(=O)C1CCC(=O)CC1OC1(C)CC1,0,GDB ChEMBL
71460,CCC1C(C(C)[NH3+])C1C(C)[NH2+]C,0,GDB ChEMBL
59695,COC1C(O)C(=O)CC1(C)O,1,GDB ChEMBL
99137,CCCC1CC(=O)OCCCC(C)O1,1,GDB ChEMBL
46042,CNC(=O)C(N)C(O)C1[NH2+]CC(O)C1(C)C[NH3+],0,GDB ChEMBL
84239,CCC1C[NH+](C)C(C)(CO)CC1(C)CC(C)=O,0,GDB ChEMBL
50330,COCC1NC(=[NH2+])OC2C3C(=O)NC(C)C123,0,GDB ChEMBL
354462,COC(C)(C)C(=O)C1=CC2CCC(C1)O2,1,GDB ChEMBL
342610,CCc1cnc(OC)nn1,1,GDB ChEMBL
227618,CCNC(=O)C1C(C)C1OCC,1,GDB ChEMBL
17494,CC1C[NH+]=C(N)CC1C(C)(C)O,0,GDB ChEMBL
235206,CC(O)C1NC2(C(N)C[NH3+])CC2OC1=O,0,GDB ChEMBL
242656,CC1CNC(N)=[NH+]C(C(N)C(=O)[O-])C(O)C1O,0,GDB ChEMBL
308726,CCC([NH3+])C(OS(=O)(=O)NC)C(=O)OC,0,GDB ChEMBL
108671,CC(C)C1(C[NH+](C)C)CC=CC=CC1C,0,GDB ChEMBL
147560,Cc1nc(C(=N)NC(N)=[NH2+])n(CC(O)C[NH3+])n1,0,GDB ChEMBL
235912,CCC(C)CC(C)Cc1cc(Cl)ccc1C,1,GDB ChEMBL
370262,COCC(CO)(CO)C([NH+]=C(C)N)C(=O)[O-],0,GDB ChEMBL
71263,CCc1c(Br)ccc2c1C(C(C)CC)CCC2,1,GDB ChEMBL
229451,CC(=CCO)C1(C)CC([NH+](C)C)C1,0,GDB ChEMBL
204598,CC(O)COc1csc(N)n1,1,GDB ChEMBL
181689,CCn1nc(NC(=O)C(O)C#N)cc1[O-],0,GDB ChEMBL
259126,CC(=O)OC1C(O)C1NC(N)=NC(C)C#N,0,GDB ChEMBL
239374,CCc1cc(F)c(C)c2c1C(C)C(C)C2CC,0,GDB ChEMBL
65632,C[NH2+]CC(N)C(=N)N(C=O)C(=N)N,0,GDB ChEMBL
40052,CN1C(=N)NCCCC([NH3+])CS1(=O)=O,1,GDB ChEMBL
222114,CCCC(C)C(=O)C(=O)NC1=[NH+]CCC(C)C1,0,GDB ChEMBL
141913,CCc1cc2c(cc1Br)CC(C(C)CC)CC2,1,GDB ChEMBL
339242,C#CC1=CCC#Cc2ccc(C)cc2CC1,1,GDB ChEMBL
126402,CCC1(C)C(C)CC(CC(C)C)C12CCC[NH2+]2,0,GDB ChEMBL
240789,N#CCNC(=O)NC1C(O)C1([NH3+])CO,0,GDB ChEMBL
204822,Cn1cncnc(=[NH2+])[nH]c(C(C)(C)CO)c1,0,GDB ChEMBL
328895,COc1cc(Cl)cnc1CC(C)(C)C#N,1,GDB ChEMBL
34272,CC12CCCC3(C)CC1C[NH+]3C2,0,GDB ChEMBL
202011,CCC1CN(C(C)=O)C(C(=O)[O-])=C1N,0,GDB ChEMBL
136035,CCCC12CCCC(C1)c1c(C)cccc1C2,1,GDB ChEMBL
336610,C[NH+]1C2C=CC(O)C(C2C(N)=[NH2+])C1CCO,0,GDB ChEMBL
318166,CC(O)C#CC(CC(O)CCCO)[NH+](C)C,0,GDB ChEMBL
201694,C#CC(=O)Nc1cccnc1C,1,GDB ChEMBL
251449,CCCC1CC(CC)[NH+](C(C)(C)CC(C)C)C1,0,GDB ChEMBL
64303,C[NH2+]CC1C(S(=O)(=O)[O-])N1CCC(=O)OC,0,GDB ChEMBL
84471,CCC1CC(C)(O)C(C)(C=NO)[NH+]1CCO,0,GDB ChEMBL
205897,CC1CC=CC=C(C2C[NH+](C)C2)CO1,0,GDB ChEMBL
4905,CCC(O)C(C(C)=O)C1C(O)CC(=O)C1[NH2+]C,0,GDB ChEMBL
143819,C#CC(C(=O)[O-])C(CO)C(=O)[O-],0,GDB ChEMBL
61689,NC12C[NH2+]C(C(=O)[O-])C1C2,0,GDB ChEMBL
320732,CC1CC2COCC1C[NH2+]CC2[NH3+],0,GDB ChEMBL
160371,NC12CC=CC(CC([NH3+])C1CO)NC2=O,0,GDB ChEMBL
77727,N=C1OCC(CO)C(=O)N1C(N)=O,0,GDB ChEMBL
280639,CCCOCc1cn(C)nn1,1,GDB ChEMBL
190403,CCCc1nn2cccnc2c1[O-],0,GDB ChEMBL
116607,CCOCc1nc(C)c(CCO)o1,1,GDB ChEMBL
322852,C#CCCOC(C=C)(C=CC)C[NH3+],0,GDB ChEMBL
259518,CCC1(O)C[NH2+]CC2OC(=O)C(C)C21C,0,GDB ChEMBL
320748,C#CCCCC(C)C[NH+](C)C(C)C(C)CC#C,0,GDB ChEMBL
95186,O=C([O-])C1CC(C2NS(=O)(=O)C3OC23)C[NH2+]1,0,GDB ChEMBL
251938,[O-]c1c(C(=NO)C2CC(O)C2)ccnc1Br,0,GDB ChEMBL
372110,C#CC(OC(N)=[NH2+])C1C[NH2+]C(C(N)=O)C1,0,GDB ChEMBL
381440,NC(N)=[NH+]CCCc1cn(C=O)nn1,0,GDB ChEMBL
81130,CN1CC(N)C[NH+]=C1C(C)(CO)CC#N,0,GDB ChEMBL
218345,Nc1cc(C[NH3+])cc(N)c1O,1,GDB ChEMBL
140341,Cc1ccnc(CC(C)(C)O)c1C,1,GDB ChEMBL
169483,C#CC1(C(C[NH2+]C)OCC)CCCCC(C)C1,0,GDB ChEMBL
135424,CC(C#N)N1C(=O)C(O)(CC[NH3+])CC12CC2,0,GDB ChEMBL
81596,CC(CC#N)c1n[nH]c(CCO)c1C[NH3+],0,GDB ChEMBL
53077,O=C1NCCC2OCCC(CO1)O2,1,GDB ChEMBL
121481,CCOC(=O)NC1CC(O)C1(O)CO,0,GDB ChEMBL
190791,[NH3+]CC1C2C(CO)OCC(=O)N12,0,GDB ChEMBL
362586,CCCC1CC2C(C)CCCN(C1)CC2(C)[NH3+],0,GDB ChEMBL
291532,N#CC1C(=NO)CCOCC1O,1,GDB ChEMBL
278236,C#CC1C(CC(C)CCC)N1C,0,GDB ChEMBL
386158,C#CC(CO)C[NH2+]CC1(O)CC1,0,GDB ChEMBL
302315,O=C1C(CO)C2C(O)C(O)CCN12,0,GDB ChEMBL
285771,C#CCCC1(C)C(C)CC(O)C1CCC,0,GDB ChEMBL
338322,CCC1C=CC(CC)C1,1,GDB ChEMBL
59700,CC1C=C2CN1C(=O)C=CCNCC(=O)N2,0,GDB ChEMBL
375114,CN(C)c1ccoc(=O)c1,1,GDB ChEMBL
107677,CC12C(=O)C[NH2+]C1C(O)C2C(=O)[O-],0,GDB ChEMBL
394269,CCCCCCCc1c[nH+]c(C(C)C)[nH]1,0,GDB ChEMBL
298246,CCNC(=O)C1OC2CC1(O)C(C(N)=[NH2+])C2C,0,GDB ChEMBL
358595,C#CC(C=O)OC(=O)c1cc(C)cc(F)c1,1,GDB ChEMBL
61290,CC1Nc2c(Cl)ccc(C(N)C[NH3+])c2NC1C,0,GDB ChEMBL
397948,NC1=NCc2cccnc2O1,1,GDB ChEMBL
274893,C#CCC1CCCC(C)CC2CCCCC12C,0,GDB ChEMBL
310745,C[NH2+]CC#Cc1cn(C)c(=O)ccscn1,0,GDB ChEMBL
354584,Cn1cncc1CCC[NH3+],0,GDB ChEMBL
53680,CC[NH2+]C1C2CC(O)CC3C(C2)C31,0,GDB ChEMBL
354373,CN1CCC(O)C1C1OCCC(=O)O1,1,GDB ChEMBL
17448,C#Cc1c(C)c(F)cc(F)c1C1(C)CCC1,1,GDB ChEMBL
372790,CC(O)C1N=C(C=O)NC1=O,0,GDB ChEMBL
301214,C#Cc1cc(C(C)C)c(C#CC)cc1Br,1,GDB ChEMBL
321978,CCC([NH3+])C1COCO1,1,GDB ChEMBL
22835,C#CC1(CCC)C(=O)C(CC#N)CC1(C)O,0,GDB ChEMBL
236616,CC1C[NH+](C)CC2(C=O)CCC(C)(CC2)C1,0,GDB ChEMBL
160051,CC1C[NH2+]C(C(N)=O)C2OC2C1,0,GDB ChEMBL
288938,N#CC1(CO)C2C([NH3+])C[N-]C(=O)C21O,0,GDB ChEMBL
116386,COCCn1ccc(=O)[cH-]1,0,GDB ChEMBL
281009,CC[NH+](C)CC1C=CCC2CC1C2,0,GDB ChEMBL
338645,CCC[NH+](C1CC1)C1C(C)C1C,0,GDB ChEMBL
267876,C[NH2+]CC1CC(C)C([NH2+]C)C2CC12,0,GDB ChEMBL
33524,CC(=O)NC(CNC(N)=[NH2+])C1CC1(C)[NH3+],0,GDB ChEMBL
34432,CC[NH+]=C(N)NC1(C(=O)[O-])COC(=O)NC1C,0,GDB ChEMBL
95908,CCC[NH+]1CCC2(CC2C)C(C)C(O)C1,0,GDB ChEMBL
122953,COC(CCO)CC1(C#N)CN1C(N)=O,0,GDB ChEMBL
40939,COC(=O)C1CC2CN3C2C13,0,GDB ChEMBL
70920,CC(=[NH2+])Nc1c2cccc(CO)c2c(C)n1C,0,GDB ChEMBL
331709,C#CCC1C=C(C)C(OC)C1,1,GDB ChEMBL
289453,Nc1nc(-c2ccon2)n2c1CNC(=O)C2,0,GDB ChEMBL
215286,CC(C)(C)N(C=N)c1ccc(F)c(O)c1C=O,0,GDB ChEMBL
171877,O=C1CCC2CCCCC12C1CCC1,0,GDB ChEMBL
307606,CC1(CO)C(OC(N)=O)CCN1C(N)=O,1,GDB ChEMBL
366022,C[NH2+]CC(O)C1(O)COC(CC#N)CNC1=O,0,GDB ChEMBL
386488,CNC(=O)CNC(=N)C1(O)CN(C)C1C,1,GDB ChEMBL
377808,CCC1(C)OC(CCC(C)C)CC1C(C)C,1,GDB ChEMBL
204414,CCOC1C(CC(C)C)C1(C)C,1,GDB ChEMBL
182263,NC(=O)CC12C[NH2+]C(C(=O)[O-])C1N2,0,GDB ChEMBL
301162,CN1CC(C#N)C(=O)OCOC1=O,1,GDB ChEMBL
62532,CNC1(C#N)CC(C)OC1C(C)C,1,GDB ChEMBL
343933,NS(=O)(=O)c1sc(C[NH3+])cc1NC=O,0,GDB ChEMBL
331188,CCOC(CO)C(=O)C(N)=O,1,GDB ChEMBL
51844,CN(CCC[NH3+])c1nc(C(=O)[O-])c(C[NH3+])n1C,1,GDB ChEMBL
73256,COCC1(C(F)(F)F)CCC2(C[NH2+]C2)C1C,0,GDB ChEMBL
79613,CC1CC2CCC(C)(C)CC2C1(C)C,0,GDB ChEMBL
305160,CCC(O)C1C(N)C1(C)[NH2+]C,0,GDB ChEMBL
115546,O=C1COC2(CO)CCC(CN1)C2=NO,0,GDB ChEMBL
204463,COCC12CCC(CCO)C(CC(C#N)C1)C2,0,GDB ChEMBL
150090,COC1C(=O)OCCC(=O)CNC(=O)CC1O,1,GDB ChEMBL
299154,C[NH2+]CC1C(CC(C)COC)[NH2+]CC(O)C1C,0,GDB ChEMBL
234237,CC(C)(C)CC1OCCC1(C=O)C(N)=[NH2+],0,GDB ChEMBL
207945,O=C1C2CC(C1CO)C1CCS(=O)(=O)N1C2,0,GDB ChEMBL
318346,C=C1C(C)OC1C1CCCC[NH+]1C,0,GDB ChEMBL
304336,CCC1=CC(C)(C)C=CC(=O)N(C)C1,1,GDB ChEMBL
81756,C=C1CCC([NH2+]CC)C(C)N(C)C1,0,GDB ChEMBL
61822,NC(N)=[NH+]c1nsc2ncc(C(=O)[O-])c(F)c12,0,GDB ChEMBL
257974,C=CC1C=CC(C=O)N(C)C1CO,0,GDB ChEMBL
182891,CCc1cnccc1C1C(C)CC(C)CC1C,1,GDB ChEMBL
81619,COC1C(=O)N(C)C(C[NH3+])CC1CNC=[NH2+],0,GDB ChEMBL
76832,O=C(CCO)CCOC(=O)Cc1cnnnn1,0,GDB ChEMBL
195490,CCCCCc1ccnn(CC[NH+](C)C)c1=N,0,GDB ChEMBL
114760,COC(CN1CC(O)C1)C1CC[NH2+]1,0,GDB ChEMBL
353580,CC1CC2CCC[NH+]2CC2C3CC(C)(C3)C12,0,GDB ChEMBL
175880,CC1(C(O)(C[NH3+])C(=O)[O-])COC(=O)[C-]1C#N,0,GDB ChEMBL
33329,Cc1cc(NC(C)C(=O)[O-])[nH]c1[NH+]1CCCC1,0,GDB ChEMBL
39667,CC1CCC([NH+](C)C)CCC1C,0,GDB ChEMBL
12749,N#CC(NCc1cn[nH]c1)C1CC1,1,GDB ChEMBL
271045,CC1CCC2CCCC2OCC1O,1,GDB ChEMBL
204415,CCCn1c(N)cc(=O)nc1O,1,GDB ChEMBL
348822,CC[NH2+]C(C)CCC1=CC2(C)CC(C)C1C2,0,GDB ChEMBL
368173,CCCC([NH3+])C1C=CC=C(C)CO1,0,GDB ChEMBL
141830,Nc1nc2c(cc1C(O)C[NH3+])C1CC(C1)O2,0,GDB ChEMBL
29199,CC1CC2CC(C)C1C1(CCCCC1)C2(C)C,0,GDB ChEMBL
118855,CN1C(=O)NC2CC(O)CC23C([NH3+])C13,0,GDB ChEMBL
72379,Cc1c(CCC2(C)CCCC2)ccc(F)c1F,1,GDB ChEMBL
107858,CCCC([NH3+])C(N)C1(CC(O)CO)CO1,0,GDB ChEMBL
372756,CCNS(=O)(=O)CC1[NH2+]C(CC)C(O)C1N,0,GDB ChEMBL
130478,CCCOCC1(C#N)C2CCC1C(=O)NC2=O,0,GDB ChEMBL
281660,C1[NH2+]C2C3CCC4C(C[NH2+]C42)C13,0,GDB ChEMBL
208306,CCC(=O)c1cc2c(cc1I)CC=CC2,1,GDB ChEMBL
385601,CC(C)(C)C1C(=O)C2CCN2C1=O,1,GDB ChEMBL
273698,CS(=O)(=O)[N-]C(=O)CNc1cscn1,0,GDB ChEMBL
131932,CC#CC1C2C(C)OC(CCCC)C12,0,GDB ChEMBL
333092,C#CC(CC(=O)[O-])C1CC2CC(C)C1C2,0,GDB ChEMBL
376633,CCN1CC2(C=CC(C)(C)CC2)OC1=O,0,GDB ChEMBL
171327,C=C(CCC(C)[NH3+])C1CC=CC1C,0,GDB ChEMBL
132298,C[NH2+]CC1CC2CC2[NH2+]C(CO)C1C,0,GDB ChEMBL
207347,CC(O)C([NH3+])C(C)(C(=O)[O-])C1CCO1,0,GDB ChEMBL
185977,CC(C)(CO)N1CC(O)C=CCC1=O,1,GDB ChEMBL
337399,CCOC1CCC2(CO1)OC(=O)[N-]C2=O,0,GDB ChEMBL
297008,CC#CC(C#CCC)CCOC,0,GDB ChEMBL
140812,Cc1cc(=O)nc([O-])c(C(N)=O)c1C(N)=[NH2+],0,GDB ChEMBL
228352,[NH3+]C(C(=O)[O-])C1CC2OC(=O)[N-]S(=O)(=O)C21,0,GDB ChEMBL
318778,N#CC1CC([NH3+])C(N)C1COS(N)(=O)=O,0,GDB ChEMBL
201030,CC1C(O)C2CC1([NH3+])C(C[NH3+])C(=O)N2,0,GDB ChEMBL
200977,CCC1OC1Cc1nc(OC)cnc1Cl,0,GDB ChEMBL
358948,CCC1CC2CCCCC1C2CC1CCCC1,0,GDB ChEMBL
333627,NC(=O)C(C[NH3+])c1cnc(N)nc1N,0,GDB ChEMBL
146083,COC(N)=[NH+]CC(O)CC(C)(OC)C(=O)[O-],0,GDB ChEMBL
334126,COC(=O)C1OC1(C#N)C(=O)[O-],0,GDB ChEMBL
204178,C#CC1=CC2C3(C)CCCCC3C1C21CC1,0,GDB ChEMBL
262592,C[NH+](CCCC(F)(F)F)CC(C)(C)C[NH3+],0,GDB ChEMBL
41589,CC1CN(C)C(=O)C2C(C)C12O,0,GDB ChEMBL
61297,CC(NC=O)C1OC(C)C2CC21,0,GDB ChEMBL
255397,CCCC1=CCCN1C(C)=O,1,GDB ChEMBL
358625,CN1CC2(CC1=O)OC(=O)C2C=O,0,GDB ChEMBL
336060,CCC1(C)C(=O)N(C)CC[NH2+]C2CC1C2,0,GDB ChEMBL
255374,CNC(=NCC(N)=O)C(O)C1COC1,0,GDB ChEMBL
249575,COC1CC2OC1C(CO)C2C(N)=O,0,GDB ChEMBL
23626,CC1CC(C[NH3+])OC2(C(=O)[O-])C(N)C2[NH2+]1,0,GDB ChEMBL
78350,CC(C)C1C[NH+](C)CC(C)(C)C1CC1CC1,0,GDB ChEMBL
288907,CC1N=CN(C(N)=O)C1C(=O)[O-],0,GDB ChEMBL
263957,CC1COCC2[NH+]1CC1CC12C=O,0,GDB ChEMBL
147404,O=C([O-])C1CCC2CC(O)C[NH+]1C1C(O)C21,0,GDB ChEMBL
271614,C=C1CCCOC1C(=O)NCC#N,1,GDB ChEMBL
231154,N#CS(=O)(=O)N1CCC2NC(=O)CCCC21,0,GDB ChEMBL
375687,C[NH2+]C1CC(C[NH3+])(C2CCC[NH2+]2)C1,0,GDB ChEMBL
254861,CCCC(C)C1CC=CCC(C)C1,0,GDB ChEMBL
383704,CCC1OC(C(O)C([NH3+])C(=O)[O-])C1[NH2+]C,0,GDB ChEMBL
25124,NS(=O)(=O)C1CC2C(=O)NC1CC2O,0,GDB ChEMBL
48767,C#CC(C)C1(CO)CCC(C(F)(F)F)OC1,0,GDB ChEMBL
143848,CC(C)CC(C(C)C)C1CC(C)(C)CCC1C,0,GDB ChEMBL
308334,CCCC1CC[NH+]2C(C)C12,0,GDB ChEMBL
353993,CCc1c(C([NH3+])COC(C)=O)n[nH]c1C,0,GDB ChEMBL
363811,CCC1([NH3+])C(O)C(=N)OC(C[NH3+])C1C(=O)NC,0,GDB ChEMBL
91156,C[NH2+]CC1=CC[NH+](C)CC[NH2+]CC1,0,GDB ChEMBL
62014,CCC1(CN)CC(O)CC(O)C[NH2+]1,0,GDB ChEMBL
33573,CCC(CNC(=[NH2+])CNc1ccoc1C)OC,0,GDB ChEMBL
147281,CC1CC2C(COC2C[NH3+])[NH2+]1,0,GDB ChEMBL
161768,CCC1(C)CCCC(C2CCCC2)C1,1,GDB ChEMBL
256169,CCC1C(C(C)=O)C(O)CC1(C(N)=O)C(=O)[O-],0,GDB ChEMBL
287318,CCCC([NH3+])C1[NH2+]CCC1C,0,GDB ChEMBL
24485,Cc1n[nH]cc1Nc1nccs1,1,GDB ChEMBL
62029,CC(C)CCC12CCC1C(C[NH3+])COC2,0,GDB ChEMBL
375535,C#CCOc1cc(C)nc(C(N)=[NH+]C)c1,0,GDB ChEMBL
175870,O=C1NC2CCC1([NH2+]CCO)C2O,0,GDB ChEMBL
34722,C=CC(COCC[NH3+])OC(=O)CC,0,GDB ChEMBL
268161,O=C([O-])CC1C2C=CCN21,0,GDB ChEMBL
115280,CCCOc1cc(C)sc1C,1,GDB ChEMBL
203523,Cc1c(F)c(F)c(C(C[NH3+])C[NH3+])c(C[NH3+])c1F,0,GDB ChEMBL
288734,C[NH2+]C(C)CC1CC1C1C=C(C)CC1C,0,GDB ChEMBL
387054,CC1OC(=O)C2C1C1C([NH3+])C21,0,GDB ChEMBL
274875,CCNc1c([N+](=O)[O-])cn(CC)c1NC,1,GDB ChEMBL
371712,NC1(CO)CN2C(=[NH2+])NCC2C1O,0,GDB ChEMBL
273430,C#CCC(C)(CC)c1ncc(CC)cc1Cl,0,GDB ChEMBL
312877,C[NH2+]CCC1(C)CC(O)C[NH+](C)C1,0,GDB ChEMBL
348669,CC[NH+]1CCC(=NC)OCCC(O)C1,0,GDB ChEMBL
269208,C[NH2+]C(C(=O)NC=O)C1(O)C=C(C)CCC1,0,GDB ChEMBL
369873,COCCS(=O)(=O)C(C)C,1,GDB ChEMBL
296040,CC12CCC(C1)NC(=[NH2+])O2,0,GDB ChEMBL
215487,CC(C)(C[NH3+])OC(=O)Cn1ncnc1N,0,GDB ChEMBL
84996,C=C1CNC(=O)OC1CC(C)OC,1,GDB ChEMBL
399015,C[NH2+]C(C)CC(O)CC1COC(=N)C1=NO,0,GDB ChEMBL
9944,CC12CC(COC(C#N)C1C[NH3+])NC2=O,0,GDB ChEMBL
4749,CN(C=NCC(N)=O)C1COC(CCO)C1=O,0,GDB ChEMBL
132297,CCC1CC(CO)C23CC2CCC3CC[NH2+]1,0,GDB ChEMBL
379730,C=CC1(C(=O)[O-])CC(C[NH3+])CC1[NH3+],0,GDB ChEMBL
334680,[NH3+]C12CC[NH2+]C(C1)C2C(=O)[O-],0,GDB ChEMBL
235211,CC(C)OC1=NC(CO)CCN1C,1,GDB ChEMBL
60656,Cc1nc(NCCC(C)C)c([O-])c(=O)[nH]1,0,GDB ChEMBL
66671,CCCC1C2CCC2CN1C(=O)OC,0,GDB ChEMBL
386657,OCC(O)c1cncnc1Cl,1,GDB ChEMBL
19364,CCCCC(CC)c1c(O)cc(Br)nc1CC,1,GDB ChEMBL
284270,COC1CC2[NH2+]C1(C)CC(O)C2C#N,0,GDB ChEMBL
40401,CC[NH+](C)C1CC(C)C2(C)CC2CC1C,0,GDB ChEMBL
337415,COC(=O)C1NC(=[NH2+])NC1C(N)=O,1,GDB ChEMBL
34280,COC(=O)C1CN2CC(=NO)C(C2)N1C,0,GDB ChEMBL
240444,CN1CCOCC12CCC2=O,0,GDB ChEMBL
124741,[NH3+]CCC1OC2CC1OC2CO,0,GDB ChEMBL
286133,C=C(C(C)=O)C(O)CCCN1CC1,1,GDB ChEMBL
80492,Cc1cncc(Oc2c[nH]c(C[NH3+])c2[O-])c1,0,GDB ChEMBL
79519,N#CC1CC2(CC2)CC2C(O)CCC12,1,GDB ChEMBL
234968,O=C1CC(C2(CCCO)CC2)=CCO1,0,GDB ChEMBL
361033,N#Cc1nc(Br)cc(Br)c1[O-],0,GDB ChEMBL
26944,CC(CCC[NH3+])C1CC(C#N)O1,0,GDB ChEMBL
102157,[NH3+]CCCC1CCN2C(=O)CCC([NH3+])C2C1O,0,GDB ChEMBL
358590,CC(C)N(C)C(=[NH2+])CN1CCCCCCC1,1,GDB ChEMBL
293810,CC(C)C1CCCC2CN(C)C(CO)C2[NH2+]1,0,GDB ChEMBL
39780,Cc1cnccc1CC1C(C)C(C=O)C1C,0,GDB ChEMBL
70781,Cc1cc(Cl)c2ccsc2c1Cl,1,GDB ChEMBL
225213,CC#CCOC(=O)NC(=O)CS(=O)(=O)[O-],0,GDB ChEMBL
247165,C=CC(=C)C#CC(CC)CCOC,1,GDB ChEMBL
278013,N=C(N)NC(=O)CNc1c(N)noc1[O-],0,GDB ChEMBL
8769,CC1(C)CCC2(C(=O)OCC[NH3+])CC2O1,0,GDB ChEMBL
124256,COCC(N)C(=O)n1cccn1,1,GDB ChEMBL
249464,COCC(O)C1CNC(S(N)(=O)=O)=N1,0,GDB ChEMBL
113486,CCCC1(C(C)[NH2+]C)CC(C2CC2)C1,0,GDB ChEMBL
104596,CNc1c(C)ccn1C(=O)[CH-]C(F)(F)F,0,GDB ChEMBL
294812,CC1CCNC(C=O)C(N)=[NH+]C1,0,GDB ChEMBL
336085,C[NH+](C)CC(C[NH3+])OCCc1cnon1,0,GDB ChEMBL
345516,Fc1ccc2cc1C#CC=CCCC2,1,GDB ChEMBL
305501,OCC12COC1CCC[NH2+]2,0,GDB ChEMBL
175889,CC1[NH2+]C2CC(O)C1C(=O)C2OS(N)(=O)=O,0,GDB ChEMBL
255087,CCCC1CC(O)(CO)C(O)C(C(C)C)C1[NH3+],0,GDB ChEMBL
292182,CC1CNC(C[NH3+])CC([NH3+])C(O)C1NC(N)=[NH2+],0,GDB ChEMBL
182109,COC(C)(C)C1(O)CC1,1,GDB ChEMBL
1459,CC(=O)N1CC([NH3+])C(C)C1=N,0,GDB ChEMBL
31318,C#CC[NH+]1CC(C(O)CO)C(C[NH3+])(CCC)C1,0,GDB ChEMBL
164661,N#CC1C2CNC(=O)C(OC(=[NH2+])N2)C(O)C1N,0,GDB ChEMBL
398897,CC1NC(C(N)=O)C2(OC2CO)C1[NH3+],0,GDB ChEMBL
363258,Nc1cc([N+](=O)[O-])c(S(N)(=O)=O)c(Br)n1,1,GDB ChEMBL
377944,[NH3+]CCN1C(=O)C2OC(=O)CC21,0,GDB ChEMBL
263985,NC(=O)C1(N)C(CCO)[NH2+]CC(O)C(O)C1N,0,GDB ChEMBL
118115,CCC1C=CC(CC(C)(C)OC)=CCC1,0,GDB ChEMBL
276338,CCC(=O)N(C=CCC[NH3+])CC[NH3+],0,GDB ChEMBL
238550,Cc1cnc(NC(=N)C(=O)NCC(=O)[O-])o1,1,GDB ChEMBL
40434,C#CC1COCOC(CC)COCCN1C,1,GDB ChEMBL
47784,CCCCNc1cc(C(C)C[NH3+])n[nH]1,0,GDB ChEMBL
23447,CC(C)S(=O)(=O)[N-]C(=O)CC(O)C=O,0,GDB ChEMBL
194382,CCCN(C)C1C2CC1[NH2+]2,0,GDB ChEMBL
389030,CC1CCC2(CC[NH3+])[NH2+]CCCC(C)(C)OC12,0,GDB ChEMBL
141801,CC1C(CO)NC(CO)C([NH3+])C1O,0,GDB ChEMBL
286313,NC(=O)C(O)CC(CO)C(=O)C(O)CO,0,GDB ChEMBL
126895,COC1CC([NH3+])C(C)C(O)C1C,0,GDB ChEMBL
184140,C#CCC(CNC=[NH+]C)[NH2+]CC1CC[NH2+]CC1,0,GDB ChEMBL
227509,CC(CS(N)(=O)=O)[NH+]=C(N)C(C=O)CC#N,0,GDB ChEMBL
288705,C#CC1C=CCCCC2CC1C(C)(C)C2,0,GDB ChEMBL
215824,CCC(=O)NCC#CC(C=O)CO,1,GDB ChEMBL
295922,CC1CCC2CCCC(CC#N)[NH+]12,0,GDB ChEMBL
230464,N#CCNC1=CC(=O)NC(=N)CC(CO)C1,0,GDB ChEMBL
236584,C[NH2+]C1CCC(C(=O)[O-])C2C(O)C12S(N)(=O)=O,0,GDB ChEMBL
358179,COC12C=CC(=O)C1C2(C)C(N)=O,0,GDB ChEMBL
133178,CCc1cc2ccncc2c(N(C)CC)n1,1,GDB ChEMBL
43578,CCCC(C)C(O)CC(C)c1cncc(Cl)c1,1,GDB ChEMBL
330382,CC#CCC1C2C(O)C2(C)NC(=O)N1C,0,GDB ChEMBL
238024,C[NH2+]CC1OC(C[NH3+])C(N)C1C#N,0,GDB ChEMBL
160966,C[NH+]1CCCC2(C)C(=O)C(C1)C(O)C2O,0,GDB ChEMBL
95940,CNC(=O)CCOC1CNC1=[NH2+],0,GDB ChEMBL
168446,CCC(C)(C)C(=O)[O-],0,GDB ChEMBL
168461,C[NH+]1CC(OCC(=N)NS(C)(=O)=O)C2CC21,0,GDB ChEMBL
87003,C=CCC1[NH2+]CC2C(C)CCCC12,0,GDB ChEMBL
173886,CCCC(CC)(CC[NH3+])[NH+]1CC(C)C1,0,GDB ChEMBL
70340,C#CCC(C)(C(=O)OCCO)C(C)C,1,GDB ChEMBL
112647,N#CCNC1(C[NH3+])COC1CCCO,0,GDB ChEMBL
48171,CCC1(C)[NH2+]CC([NH2+]CC(=O)[O-])CC1C,0,GDB ChEMBL
33178,CCC12OC1C(O)C(C[NH3+])C2OCC[NH2+]C,0,GDB ChEMBL
369299,CC(C)N1CC(COCC(=O)[O-])N(C)CC1=[NH2+],0,GDB ChEMBL
41334,CCc1ncc(C(N)=O)cc1C#N,1,GDB ChEMBL
38759,CNc1c[nH]cc1NC1(C(=O)[O-])COC1,0,GDB ChEMBL
127495,CCC(C)(C)C1=C(C(=O)[O-])C(C)OC1C,0,GDB ChEMBL
208262,CCC12C=CC(C[NH+](C)C3CCCC3)C1C2,0,GDB ChEMBL
252914,CCC#CC(OC)C(=O)NC,1,GDB ChEMBL
102136,COc1c([O-])nc(C)nc(=NC(C)C)c1N,0,GDB ChEMBL
76442,CCC([NH3+])C1(C(N)=O)OC1(C)C(C)C(=O)[O-],0,GDB ChEMBL
190800,CC1C(O)C2C[NH2+]CC(N2)C1O,0,GDB ChEMBL
288550,CC(N)C[NH+]=C(N)Nc1nccc(=O)nc1N,0,GDB ChEMBL
381430,NC(N)=[NH+]Cc1conc1CO,0,GDB ChEMBL
53023,CCN=C1OCCNC1C=CCO,1,GDB ChEMBL
303337,CCC(C)(C)[NH+]=C(C1CC1)N(C)CC(N)=O,0,GDB ChEMBL
311324,OC1C[NH2+]CCN2CC12,0,GDB ChEMBL
160013,CC1=CC(C(N)=O)C(CNCC#N)C1=O,1,GDB ChEMBL
127738,COC1CC(C)C(O)C[NH+]2CC(OC)C1C2C,0,GDB ChEMBL
387038,[NH3+]CC1OCCOC(=O)C1(O)CO,0,GDB ChEMBL
179308,CC(C)C1CC2CNC(=O)C2(O)C1,0,GDB ChEMBL
274589,CN(CCCO)c1ncc2c(F)cccn12,1,GDB ChEMBL
9839,CCCC1C(O)C=CC1(C)C,1,GDB ChEMBL
142390,Cc1cn(C(C[NH3+])CO)cc1C(N)=[NH2+],0,GDB ChEMBL
333921,C[NH2+]CC([NH3+])C1CC1(C)C,0,GDB ChEMBL
334161,CC[NH2+]CC1(N)CC([NH+]=C(N)OCC[NH3+])C1,0,GDB ChEMBL
21851,CC1NC(N)=[NH+]C(C)C(CO)C1O,0,GDB ChEMBL
333630,COCC(O)C1OCOC1S(N)(=O)=O,0,GDB ChEMBL
347967,CC(C)C1CC23CCC(CC2[NH2+]1)C3,0,GDB ChEMBL
150151,CCC1(CC(O)C[NH3+])CC=CCC(C)(C)C1,0,GDB ChEMBL
284744,NC(=O)CC1C2C(CO)(C(=O)[O-])[NH2+]CC12O,0,GDB ChEMBL
346833,NCC(=O)OCCCNC=[NH2+],0,GDB ChEMBL
258244,C#CC([NH3+])c1cc(CC)c(CCC)c(CC)c1,0,GDB ChEMBL
186697,COC1CCC2C(C)COC1(C(C)C)C[NH+]2C,0,GDB ChEMBL
162549,N=COC1CNCC(=O)NC1CO,0,GDB ChEMBL
312884,COC1C(O)CC[NH2+]CC(N)(C[NH3+])C1(C)CO,0,GDB ChEMBL
62092,C[NH2+]CCC(CO)NC(C)=O,1,GDB ChEMBL
59579,C#CC(N)(C(=O)OC)C(C)C,1,GDB ChEMBL
337993,CC1CCC23C[NH2+]C2C(O)CC=CC13,0,GDB ChEMBL
131927,CC1CC[NH2+]CCC2CC2C([NH3+])CC1,0,GDB ChEMBL
389464,CC1CC2(CC2)CC2[NH2+]C(C)(C1)CC2C[NH3+],0,GDB ChEMBL
316155,CC(C)C1CC2CC(O)CC[NH+]21,0,GDB ChEMBL
17615,CC[NH2+]CCN(C)Cc1c(O)ncc(Br)c1C,0,GDB ChEMBL
210754,NC(=[NH2+])NCc1cc(F)ncn1,0,GDB ChEMBL
74345,C#CC12CC(=O)NC(=O)C1CC(=O)C(C)O2,0,GDB ChEMBL
81525,CC1([NH3+])C(N)C1N1C(=O)CC(O)COC1=O,0,GDB ChEMBL
156225,C[NH2+]C(C#CC1CCC1)CC(C)(C)C(C)C,0,GDB ChEMBL
228770,Cc1c(O)cnn1CC(=O)CO,1,GDB ChEMBL
385409,CC1=CCNC(=O)C(CC(N)=O)C1=O,1,GDB ChEMBL
124164,NC(=[NH2+])n1cc2nc1NC(=O)CCOCC2,0,GDB ChEMBL
252598,C=C1CC2CC(C(=O)[O-])NC(=O)N12,0,GDB ChEMBL
254895,C[NH2+]C(C(=O)[O-])C(N)C1NC1CO,0,GDB ChEMBL
121484,CCC(C(C)C(=O)[O-])C(CC(O)C#N)C(=O)[O-],0,GDB ChEMBL
268180,CC1CC2NC(C)C(CO)C(C)C2[NH2+]1,0,GDB ChEMBL
105145,CNC(=O)NCC1(C)OCC1=O,1,GDB ChEMBL
386200,CCCc1ccc2c(c1Cl)NCCC2C(C)C,1,GDB ChEMBL
281860,CCc1cc2c(c(Br)c1C)CC(C)C=C2,1,GDB ChEMBL
309630,O=C1NC2C3OC(=O)C1C23O,0,GDB ChEMBL
234927,N#CC1C2CC(=O)[N-]S(=O)(=O)CCN12,0,GDB ChEMBL
273950,CCC#CCC(C)(CC)C[NH+](C)CCO,0,GDB ChEMBL
142533,CC1C[NH2+]C2C3CCC2C[NH+]1C3,0,GDB ChEMBL
349983,CC1CC2C[NH+](CC(C)[NH2+]1)C(C)(C)C2,0,GDB ChEMBL
253615,CCNC1(C#N)CC1(O)C(=O)[O-],0,GDB ChEMBL
228909,CCc1cc(=O)[nH]c(CCCOC)n1,1,GDB ChEMBL
24002,CN1CC(C#CCO)[NH+]=C1N,0,GDB ChEMBL
45054,Cc1cc(C(C)C)cc(N)c1I,1,GDB ChEMBL
144623,CC1OC2C(O)C1CCNC2C(C)(C)[NH3+],0,GDB ChEMBL
54787,C#CCC(=O)C1C(=O)COC1C(=O)NCCO,1,GDB ChEMBL
140164,Cn1nnc(C(CCOCCO)C(C)(C)O)n1,0,GDB ChEMBL
190251,CC1C2C(=O)C(CC3CCC[NH+]32)NC12CC2,0,GDB ChEMBL
156167,COCC1(C#N)C2C(=O)C(C)=CC(O)C21,0,GDB ChEMBL
234406,CC(=O)Oc1c(N)ncc2nonc12,0,GDB ChEMBL
61740,CCC1(C(C)C(C)CCC(F)(F)F)CCCC1,0,GDB ChEMBL
362683,COC(=O)NC1[C-](C=O)C1(O)C(N)=O,0,GDB ChEMBL
395122,CC[NH+]1Cc2ncc(CC(C)O)n2C(C)C1C,0,GDB ChEMBL
304582,CC#Cc1cccc(C=CC)c1C,1,GDB ChEMBL
192544,CCC(C)OC1=[NH+]CC(C[NH3+])CN1,0,GDB ChEMBL
330918,Cc1c(C(C)C)nc2n1CCCO2,1,GDB ChEMBL
200965,Oc1cc(N2CC2)nc2c1CCC2,1,GDB ChEMBL
205764,CN1CCOC2=NC(C1)C(O)C(O)C2,1,GDB ChEMBL
188475,CCC1C[NH2+]CC(=O)[C-](C=O)C(C(C)C)CO1,0,GDB ChEMBL
338632,C=C(CO)C(C[NH3+])n1cnc(C)c1,0,GDB ChEMBL
84576,CC1=CCNC(CO)=[NH+]CCC1,0,GDB ChEMBL
351425,CCC#CC(O)C(C)(C)CC[NH2+]CC,0,GDB ChEMBL
187241,N=C1CS(=O)(=O)CN1Cc1cncc(N)c1,1,GDB ChEMBL
270083,CC1C([NH2+]CCS(N)(=O)=O)C1OC(N)=O,0,GDB ChEMBL
76980,C[NH2+]C1CNCC(CC(CCO)C[NH+](C)C)C1,0,GDB ChEMBL
266445,C=CCCc1cc(N)c(F)cc1C,1,GDB ChEMBL
81529,N#CC1(NC2CC2)CNC(=[NH2+])OC1,0,GDB ChEMBL
350252,CCCCC12CC(=O)C(C)(C1)C2,0,GDB ChEMBL
291491,C[NH+]1CCC2CCC34COCCC1C3C24C,0,GDB ChEMBL
149312,COC(CC(=O)n1ncc2c1C[NH2+]C2)C(=O)[O-],0,GDB ChEMBL
104385,COC1CNC2c3occc3C(=O)C2CC1C,0,GDB ChEMBL
353931,CC[NH2+]Cc1csc2nccnc12,0,GDB ChEMBL
397958,C[NH2+]CCC1CC(C)(CC(C)(O)C(C)[NH3+])C[NH2+]1,0,GDB ChEMBL
375571,CCCC1(CC)C(CC)CCCC1CC(C)C,0,GDB ChEMBL
18368,CCCC(C)OCCC1(C)CC1,1,GDB ChEMBL
39762,C=CC(C#CC(C=O)NC)C(=O)[O-],0,GDB ChEMBL
165958,C#CCNc1ccc2cc(Cl)cc(Cl)c2c1C,1,GDB ChEMBL
370311,C#CC(C(N)=O)C1(OCC)CCC1([NH3+])CO,0,GDB ChEMBL
195378,CCC1C2CC[NH+]1C(C)C2C1CC2CCC1C2,0,GDB ChEMBL
353216,COC1OC(=O)COC(C(=O)[O-])C1O,0,GDB ChEMBL
251881,NCC(N)(C[NH3+])C(=O)N(CC[NH3+])CC(O)CO,0,GDB ChEMBL
317750,CC1CC2(O)CC2(C(N)=O)[NH2+]CCC1O,0,GDB ChEMBL
353929,CC(C=O)Nc1nccc(C=O)n1,1,GDB ChEMBL
55552,CCCC1CC2CC1CC2CCCC(C)C,1,GDB ChEMBL
99566,CNC(=O)CN(C=O)S(=O)(=O)CCOC,1,GDB ChEMBL
24008,CC(C[NH+](C)C)NC1CC(C)C1(C#N)C=O,0,GDB ChEMBL
276339,CCCC(=O)CCOC1(C)CC([NH+](C)C)C1,0,GDB ChEMBL
156043,CNC(C(C)[NH3+])C([NH3+])COC1CCC1,0,GDB ChEMBL
182114,Nc1cc2c3c(nc1=O)CC[NH2+]CC3C(=O)O2,0,GDB ChEMBL
81022,COC1COCOCCC(O)c2cccnc21,1,GDB ChEMBL
99144,CC1NC(=O)C(O)CN=C(N)OCOC1C#N,0,GDB ChEMBL
9867,N#CCOC1CC([NH3+])CCC(O)CC(=O)O1,0,GDB ChEMBL
650,NC(=[NH2+])NC(CO)C1=CC(N)(C[NH3+])C(=O)N1,0,GDB ChEMBL
217146,NC(=[NH2+])CCCOCC([NH3+])CO,0,GDB ChEMBL
182245,C[NH2+]C(C)(C(=O)[O-])C(O)(C(=N)N)C(=O)OC,0,GDB ChEMBL
274627,C[NH+]=C(N)NCC1(N)COC1,0,GDB ChEMBL
263181,CC#CC1c2c(ccc(F)c2F)CC1CC,0,GDB ChEMBL
45062,COCC=C(C#N)C1CC1C(C)[NH3+],0,GDB ChEMBL
201061,CC1CC1[NH+](C)CC1=[NH+]CCCC(C)(C)N1,0,GDB ChEMBL
300672,CN1CCC2[NH2+]C(C)(CO)C21,0,GDB ChEMBL
190025,CCC1C(C)C2CC(C(C)(C)CC#N)C1(C)C2,0,GDB ChEMBL
345423,COC1C2CC(C(N)=O)C(=O)C(CO2)C1O,0,GDB ChEMBL
58947,CCCCC1CCC2(C)CC(C)CC1C2,0,GDB ChEMBL
62120,C[NH2+]C(Cc1ccc(C)c(C)c1Cl)C(C)(C)C,0,GDB ChEMBL
355428,C=CCC=CCCC(C)C(C)CC,1,GDB ChEMBL
382123,CCNC(=O)NC(=O)C(N)c1nc(=O)cn[n-]1,0,GDB ChEMBL
217677,CC1=CC23CC(O)C(C[NH+]2C)C1C3,0,GDB ChEMBL
396119,CC1(C)COC(C)(C)CC(=O)N1,1,GDB ChEMBL
119896,N=C(NC(=O)CC(O)CNC(N)=[NH2+])C1CN1,0,GDB ChEMBL
315183,C[NH2+]C1C2CCN(C)C1C(NC=[NH2+])C2C(N)=O,0,GDB ChEMBL
202777,Cc1c(NCCO)cc[nH]c1=[NH+]CC(C)CO,0,GDB ChEMBL
317948,CC1C=CC2CC=CC3C2C1C[NH+]3C,0,GDB ChEMBL
358237,CCCC1C=C(CCC(F)(F)F)CCC1,1,GDB ChEMBL
125685,C=C(CC(C)(C)CCC)C(=[NH2+])OC,0,GDB ChEMBL
5351,CCC1(C)CC2CCC1C(C)C=CC(C)C2,0,GDB ChEMBL
12737,CCCC(C)(CC)CC(C)C(C)(CC)C(C)C,0,GDB ChEMBL
39737,[NH3+]CCc1ccnn1CC#CC(O)CO,0,GDB ChEMBL
361621,CCC12C[NH+](CC(C)C1C([NH3+])CCO)C2,0,GDB ChEMBL
398827,CCC(C)[NH+]=C(N)C(C)(C)C[NH2+]C(C)C,0,GDB ChEMBL
267361,C[NH+](CCC1CC1)CC(O)CC#CC(N)=[NH2+],0,GDB ChEMBL
141980,CCC1c2c(C)ccc3c2C2C1C2(C)CC3,0,GDB ChEMBL
153685,C#CCc1cc(O)c(C)c(Br)c1,1,GDB ChEMBL
26011,CN=COCC(C)CC[NH3+],0,GDB ChEMBL
342611,C#CC(O)(CO)CC(C)(O)CC[NH3+],0,GDB ChEMBL
10605,CCC12CC1C1C(CO)CC(C[NH+]1C)[NH2+]2,0,GDB ChEMBL
58971,COCC1(C(=N[O-])C(N)=O)CC(O)C1,0,GDB ChEMBL
235205,CC(C)(C)C1CC2CC1(C)CC1OCCCC21,0,GDB ChEMBL
318167,CC(=O)NC1C(C)C2[NH2+]CC1(O)CC2N,0,GDB ChEMBL
167275,NC1=[NH+]C23COC(=O)NCC2C(O)C(O)C3N1,0,GDB ChEMBL
322902,Cc1ccc(Br)c2sccc12,1,GDB ChEMBL
26946,CCC(O)C([NH3+])C1OCC2CC1C[NH2+]2,0,GDB ChEMBL
311640,C#CCC(O)C(C(C)C)C(C)(CC)C(C)CC,0,GDB ChEMBL
7775,CC1(C#N)CCC(N(C(N)=[NH2+])C(N)=[NH2+])CC1,0,GDB ChEMBL
126936,CC1(C(NC=O)C(N)=O)CC(O)C(=O)O1,0,GDB ChEMBL
133157,CCC(CO)C(CC)C1C[NH2+]1,0,GDB ChEMBL
332346,NC(=O)c1csc2c1C(O)CCCN2,1,GDB ChEMBL
200988,CCC(C)CC1Nc2sc(C)cc2CC1CC,0,GDB ChEMBL
89090,CCC(CC1(C)CC1)C1CCC(=O)C=C1C,0,GDB ChEMBL
72381,CC1=CC2(C(=O)[O-])CC(C2)[NH2+]C(CCO)C1,0,GDB ChEMBL
97122,CCC1(CCC(=O)[O-])CN1c1ncon1,1,GDB ChEMBL
112815,CCCc1cc(C)c(C)c(N)c1C[NH3+],1,GDB ChEMBL
300211,CC(O)(C[NH3+])C1CCOC1=O,0,GDB ChEMBL
227934,CCCCN(C)C(=[NH2+])OCC(N)=O,0,GDB ChEMBL
179495,O=C1CNS(=O)(=O)CC2[NH2+]CCC2C(O)C1,0,GDB ChEMBL
274138,CC#CC1CCC(CCC2CC2)CC1,1,GDB ChEMBL
169496,CC1(C2C[NH2+]C2)CCC(C#N)CO1,0,GDB ChEMBL
307976,O=C1NCC2CC(O)C3CC1CC23,0,GDB ChEMBL
70938,C=CC(C)=CC(CCCC)C1CO1,1,GDB ChEMBL
234370,CC#CC1CCC(C)(C)C(CCC)C1=O,1,GDB ChEMBL
29782,CCC1[NH2+]CCC=CCC(C)C1(C)C,0,GDB ChEMBL
251027,O=C1NC(=O)C(O)C2CN2C(=O)N1,0,GDB ChEMBL
12719,CC(=O)CC1C[NH2+]C(C2CC=C(C)C2)C1,0,GDB ChEMBL
77029,CCC[NH2+]CC1(NCC(O)CS(N)(=O)=O)CC1,0,GDB ChEMBL
11406,C#CCC([NH2+]C)C1(C)C(CO)CC(C)C1CC,0,GDB ChEMBL
378255,CCc1ccc(N)c(C#CCC[NH3+])c1F,0,GDB ChEMBL
378886,CNC(=NCCO)C(=O)c1ncnc(N)n1,0,GDB ChEMBL
271100,CCC1C2CC1c1c(Cl)c(C)cc(C)c12,1,GDB ChEMBL
217722,COC1(C(N)C[NH3+])CC1C(=O)[O-],1,GDB ChEMBL
318148,CNc1ncoc1CNC(=O)C[NH3+],1,GDB ChEMBL
302435,CC1C(O)CNC2(C)C[NH2+]C2C1C(=O)[O-],0,GDB ChEMBL
125596,CCC1CN(C)C(=O)C2(CC(C)[NH2+]1)OC2C,0,GDB ChEMBL
119803,CCC1CC2C[NH2+]CCCN2C1=O,0,GDB ChEMBL
378917,C#CC1C(CO)[NH2+]C2(C)CCC1C2CC,0,GDB ChEMBL
324070,CC1C2CCCCC2(C)C[NH+]1C1CCC1O,0,GDB ChEMBL
26349,CCC12C(C)CCCC[NH+]1C2C,0,GDB ChEMBL
365688,CNC(=O)C12NC1C([NH3+])CCNC2=O,0,GDB ChEMBL
203477,NC(=O)C(N)C12C[NH2+]C(COC1)C2,0,GDB ChEMBL
202007,COCCC(CCO)C1C[NH2+]C1,0,GDB ChEMBL
120887,C#CC(C(C)OC)C1(C)CCCC1C,0,GDB ChEMBL
383288,CCCC1C2CC(C)C(C)(CCC2C)C1(C)C,0,GDB ChEMBL
107674,CCC[NH2+]C1(CN)CC1COS(N)(=O)=O,0,GDB ChEMBL
152500,NC(N)=[NH+]CC1CC(=O)CC1[NH2+]CCO,0,GDB ChEMBL
61315,CCCOCC1C(C(N)=O)N1C1=[NH+]CCN1,0,GDB ChEMBL
252710,CCCc1c(C(C=O)C(C)C)ccc(C)c1Br,1,GDB ChEMBL
176466,CC1OC(=N)CCCC1CC(C[NH3+])CO,0,GDB ChEMBL
311050,C#CCC(C)(C)c1ccc(C)nc1F,1,GDB ChEMBL
352829,C[NH2+]CC(=N)N(C(=O)C[NH3+])C1CC1,0,GDB ChEMBL
276045,CCCC(C)COC1CC1C(C)(C)O,1,GDB ChEMBL
306353,C#Cc1cccc2c1C(CC(C)(C)C)CC2C,0,GDB ChEMBL
206963,CCC(C(C)=NO)C(CO)C(C=O)OC(N)=O,0,GDB ChEMBL
299165,CC1CCCC2CCCC=C(CC1)C2,1,GDB ChEMBL
360980,Cc1nc(-c2ncc(N)c(=O)n2CC#N)c[nH]1,0,GDB ChEMBL
182259,CC1Cc2ncccc2C2CC12,0,GDB ChEMBL
309157,CC1=C2C=CC=CCC2c2ccc(Cl)cc21,0,GDB ChEMBL
47528,CN1C2CC(O)(CO)C(O)C2CS1(=O)=O,0,GDB ChEMBL
248639,CC1=[NH+]CCC(c2cc(C(C)C)n(C)c2)N1C,0,GDB ChEMBL
299608,CC(CCO)OC1C(N)=[NH+]CC1CO,0,GDB ChEMBL
271791,CNC(=O)NCC(NC(=N)C=O)C(C)(C)C,0,GDB ChEMBL
367758,CC12CC(CO)C(CC1O)NC(N)=[NH+]2,0,GDB ChEMBL
247542,CC(O)CC1C2C=CC1C2(C)C,0,GDB ChEMBL
251890,CCN(CCCCO)c1ncc(NC(N)=O)o1,1,GDB ChEMBL
395627,CCS(=O)(=O)NCC1(CO)OC1C(=O)[O-],0,GDB ChEMBL
281171,C#CC1CC(C(=O)C(C)(C)C)C2C[NH2+]CC1C2,0,GDB ChEMBL
27913,CC#CC1C(O)CC=CC1C(=O)[O-],0,GDB ChEMBL
361001,CC(=O)C1(CO)C(C(=O)[O-])OC(=O)N1C,0,GDB ChEMBL
140354,COC1(C)C(C[NH+](C)C)C1(O)CCO,0,GDB ChEMBL
341327,[NH3+]CC(=O)N1CC(O)CCC1CO,1,GDB ChEMBL
24501,CCCC1C2C(C)=CC(C2C)C1C(C)(C)C,0,GDB ChEMBL
175532,CC1C2CC2C2CCC1C1C[NH+](C)C(C)C12,0,GDB ChEMBL
366517,CN(CC1CC1C(N)=O)C(N)=O,1,GDB ChEMBL
180835,Cc1cn(C)c(C)c1C#N,1,GDB ChEMBL
235176,CN(CC(N)=O)C(=O)c1noc([O-])n1,0,GDB ChEMBL
203292,O=C1OCC2(O)C(O)CC(O)C12,0,GDB ChEMBL
353204,CCCC(C1CC2C(C)C2C1)C(C)(C)C,0,GDB ChEMBL
334106,CCCCC(C)C1(CC(F)(F)F)CCC(C)C1,0,GDB ChEMBL
277896,CC(=O)CN(C)CC(C)Nc1nc(C)n[nH]1,1,GDB ChEMBL
251021,CC1CC[NH2+]C2C=CC(C#CC(=O)N1)C2O,0,GDB ChEMBL
24254,NS(=O)(=O)CC1C([NH3+])C1C1OC1CCO,0,GDB ChEMBL
214028,Cc1nc(=O)c(Cl)cn1C,1,GDB ChEMBL
169065,C[NH+]=C1NC(C(N)=O)CC=CC1C,0,GDB ChEMBL
61545,CCOCc1c2c(cn1C1CC1)CC(C)C2,1,GDB ChEMBL
131631,Cc1cc(I)c2c(N)cccc(=O)c2c1,1,GDB ChEMBL
388278,O=CC1C(C(=O)[O-])C2CN2C1CC(F)(F)F,0,GDB ChEMBL
298913,[NH3+]CC1OCCC[NH2+]CC2(CO)NC12,0,GDB ChEMBL
203156,CC12NC1COC2CCC[NH3+],0,GDB ChEMBL
217158,CC1CC2CCNC(=O)C(CO)C(CC2)C1C,0,GDB ChEMBL
350936,CC(C(=O)[O-])C1CC(C=O)NC1=[NH2+],0,GDB ChEMBL
59707,NC(=O)NC1(C(CCO)=N[O-])COC1,0,GDB ChEMBL
131926,Nc1cn2c(n1)NC(C(=O)[O-])C2=O,0,GDB ChEMBL
372223,Cn1ccc2ccc(=O)n(CC(=O)[O-])c21,1,GDB ChEMBL
25255,C[NH2+]C1CC([NH3+])COC(=N)C1O,0,GDB ChEMBL
180829,CC1CCCC2(CC(=O)NCC1)CC2(C)C,0,GDB ChEMBL
387216,C#CCCC(C)C(C)(CCO)C(F)(F)F,0,GDB ChEMBL
26808,C[NH+]=C(N)N(C)C1C2CC(C)CC21,0,GDB ChEMBL
294426,C[NH2+]CC1NC(C[NH3+])C(O)C1C(C)O,0,GDB ChEMBL
123010,N#CC(N)CC(C#N)CC(=O)[O-],1,GDB ChEMBL
274399,COC12CCC3[NH2+]C1C(=O)NC32,0,GDB ChEMBL
165223,CCc1c(Cl)ccc2c1CC1CC=CC1=C2,0,GDB ChEMBL
130243,CC1Cc2oc(=O)cc(F)c2C(C)(CO)[NH2+]1,0,GDB ChEMBL
338367,CC1CC(C(N)=O)NC(=O)CO1,1,GDB ChEMBL
38942,CCCC(C)C(C(C)CC)C1(C)CCC1,0,GDB ChEMBL
1928,CCC(CC#CCO)C(C)(C)[NH2+]CC(N)=O,0,GDB ChEMBL
234954,CNC(=O)CC(N)(C#N)C(N)=O,1,GDB ChEMBL
60615,CCC1C2C=C(C)CC2[NH+](C)C1C,0,GDB ChEMBL
354983,C#CCCC1(C(C)(C)C)CC(C=O)[NH2+]CCO1,0,GDB ChEMBL
47553,CCN(CC(C)=O)Cc1c(Br)ccc(C)c1Br,1,GDB ChEMBL
137417,CCC1CC2OCCC2(CC(C)C)CC1CO,0,GDB ChEMBL
35021,Cc1cc2nc(ccc(C[NH3+])cn1)CC2C[NH3+],0,GDB ChEMBL
243794,COC(=O)C1(O)C=CC([NH3+])C1,1,GDB ChEMBL
142510,COC1OC2CC(NC2=O)C1CS(N)(=O)=O,0,GDB ChEMBL
80265,CC(C)([NH3+])COCc1c(F)cnc(N)c1N,1,GDB ChEMBL
387083,NC1=[NH+]C2CCCC(C1)[NH2+]CC2,0,GDB ChEMBL
217080,CC1COCCCC(C#N)c2ccc1cc2,1,GDB ChEMBL
170425,CCC1CC(C#N)(NC)C1COC,0,GDB ChEMBL
17507,C#CC([NH3+])CNC(=O)OC,1,GDB ChEMBL
11241,CNC(=O)C1CC(O)C=C(C)C1[NH3+],0,GDB ChEMBL
358170,C=CC(=CCC)NC(=O)C(C)CC,1,GDB ChEMBL
188108,COc1ccc(F)c(C(=O)[O-])c1,1,GDB ChEMBL
11218,CNC1C(C(C)O)C(C(N)=O)NS1(=O)=O,0,GDB ChEMBL
203470,COC(C(C)O)C(C)(C)[NH3+],1,GDB ChEMBL
201107,CC(O)C([NH3+])C(N)CCNC(N)=[NH2+],0,GDB ChEMBL
286842,CCCC1(NC(N)=O)C[NH2+]CCc2n[nH]cc21,0,GDB ChEMBL
210443,COC(=O)C1NCC(C([NH3+])C(O)CO)C1O,0,GDB ChEMBL
216483,C[NH+](CC(C)(O)CO)C1(CO)CC1,0,GDB ChEMBL
122667,CC(=NO)C(CO)CC(C)N1CC(C)C1=O,1,GDB ChEMBL
295867,C#CC1(C)C2c3cc(C)ccc3CC21O,1,GDB ChEMBL
261364,CCC1C=C(C)c2cnc(Cl)cc2C1[NH2+]C,0,GDB ChEMBL
12849,C=CC1C[NH+]=C2NC(CC)CCC21,0,GDB ChEMBL
45697,O=C1OC2C(O)C(CCO)C3C2N13,0,GDB ChEMBL
44962,CCC1C=C(CCCC(C)C)CC1CC,1,GDB ChEMBL
317609,CC1C2C(N)C[NH+](C)CCOCCC12[NH3+],0,GDB ChEMBL
230206,COC1CC12CC=CC(C)C2CC[NH3+],0,GDB ChEMBL
20511,CC1CCC[NH+]1C1(C)CCC1,0,GDB ChEMBL
389086,CCc1cc(F)c(CC)c(C(CC)CC)c1C,1,GDB ChEMBL
23627,COC1C([NH3+])C(O)CC2[NH2+]CC1C2(C)C,0,GDB ChEMBL
26959,CC(N)=[NH+]C(C)C(C(C)O)C(C)[NH+](C)C,0,GDB ChEMBL
161376,CCC1CN2CC(C2)OC(=NC)CO1,0,GDB ChEMBL
147428,O=C1CC(OCCNCc2nn[n-]n2)C1,0,GDB ChEMBL
331719,CCC(CC1CC=CC=C1C)OC,0,GDB ChEMBL
31301,CCC1C2CC(C)C(O)(C2)C(OC)C1O,0,GDB ChEMBL
162948,C=CCC([NH3+])CC1C2CC(C2)[NH+]1C,0,GDB ChEMBL
298085,CCC([NH3+])(CC)C(C)(C)C[NH+]1CC=CC1,0,GDB ChEMBL
258304,[NH3+]CCC1NC(=O)OC1c1ncn[n-]1,0,GDB ChEMBL
120822,CCC(=O)NC1=NCC(CC[NH2+]C)C(=N)OC1,0,GDB ChEMBL
284287,CC(=O)Nc1cnc2c(n1)CNC(C)CCO2,1,GDB ChEMBL
6846,CC(C)CC1OCC2(C)C(C#N)C1CC2(C)O,0,GDB ChEMBL
370237,COCC1C2CC(CO)NC(=[NH2+])N12,0,GDB ChEMBL
79278,CCCCOCC(CC)OC(CO)C1CC1,1,GDB ChEMBL
157080,CC(C[NH3+])OC(=O)N(C)CC1=NCCO1,0,GDB ChEMBL
375520,CC1C=CCC2[NH2+]CC=CCC1C2O,0,GDB ChEMBL
152054,CC(C)(C)C1CCCc2ncc(Br)cc21,1,GDB ChEMBL
305802,CCCC1C2CCC1C(C)CC(C)(C)O2,0,GDB ChEMBL
133364,CC1C(CCO)[NH2+]CC2N=C(N)OC21C,0,GDB ChEMBL
225410,CC1(O)C2CCC1(CO)NCC2[NH3+],0,GDB ChEMBL
61935,CCCC#Cc1ccc(CO)c(C)c1Cl,1,GDB ChEMBL
40446,CCC(C[NH+]=CN)C(C)[NH+](C)C,0,GDB ChEMBL
286155,CC1COC2C([NH3+])CC(C)OC2C1,0,GDB ChEMBL
277814,COC1C2[NH2+]C1C(CC[NH3+])C2CO,0,GDB ChEMBL
131921,COC(=O)N1C2CC(C)(C2)C12CC2,0,GDB ChEMBL
205906,C#CCC1CC(CC(C)(CO)C[NH2+]C)C1,0,GDB ChEMBL
174213,CCC1(CC)CCCCCC(C)(CC)C(C)C1,0,GDB ChEMBL
37280,CC(=N)NC(=O)CCOc1cnc(O)cn1,1,GDB ChEMBL
262230,CCCC(C)(CC(CC)C(C)C)C(C)C,0,GDB ChEMBL
358221,CCC1C(C)CN(C)C2C[NH+](C2)C1C(C)C,0,GDB ChEMBL
140356,C#Cc1cc(I)c(C)c(CC)c1C(CC)CC,1,GDB ChEMBL
318782,NC(=[NH2+])c1cnc(CCCO)s1,0,GDB ChEMBL
118368,Nc1n[nH]c([O-])c1NC(=O)CCO,0,GDB ChEMBL
252714,C#CCCC([NH2+]C)C1CCC(C#N)C(=O)N1,0,GDB ChEMBL
254962,COc1[nH]ncc1CC(=O)[O-],1,GDB ChEMBL
200983,NC(=[NH2+])C(COC(N)=O)OCC(N)=O,0,GDB ChEMBL
325717,O=C(NCCCO)OC1CNS1(=O)=O,0,GDB ChEMBL
249580,COC1C(O)CCC([NH3+])C1C,0,GDB ChEMBL
358176,CC1CCC(O)C12C1C3CCCCC(C3)C12,0,GDB ChEMBL
354029,C#CCCCC(C)C1CCC(O)C1,1,GDB ChEMBL
363014,CCCCC(CC)CCCC1CC([NH3+])C1,0,GDB ChEMBL
70973,CC#CC1CCC(COC)C1,1,GDB ChEMBL
203517,C#CC(COCC(CC)C(C)(C)O)[NH2+]C,0,GDB ChEMBL
305070,CCCC(C)(O)C(C)(C)C(C)(O)CC,1,GDB ChEMBL
80305,Cc1ccc(=O)occncc1C(N)=[NH2+],0,GDB ChEMBL
290568,CC1=CC2=CC(C)CCCCCC[NH2+]C2C1,0,GDB ChEMBL
143816,CCC1C=CCC(C)C=CC(C)=CC(=O)O1,0,GDB ChEMBL
294803,CC1C[NH+](C)CC(N)C2(C)CC=CCC12,0,GDB ChEMBL
251925,CCOC1CC(O)CCC(N)(C#N)C1CCO,0,GDB ChEMBL
137070,[NH3+]C1CC(C2C3NS(=O)(=O)CC32[NH3+])NC1=O,0,GDB ChEMBL
79266,CNC(=O)NCC(O)C1CN1,1,GDB ChEMBL
271839,O=C1C(C#CCO)CC2C[NH2+]C1C2O,0,GDB ChEMBL
27001,CC[NH2+]CC(C)(Cn1cc(C)cn1)C(O)C#N,0,GDB ChEMBL
284276,CC1C=CC(O)CC(C)(C)C=CCCC1,1,GDB ChEMBL
175849,C=CCC(CO)[NH2+]CC(C)=CCC,0,GDB ChEMBL
386455,C#CC1CCCc2c(ccc(Br)c2CC)C1,0,GDB ChEMBL
228308,CC1CCC(C2C=CCCC2)O1,1,GDB ChEMBL
22594,CN1C2C=CCC(O)(CC(O)C2)CC1C=O,0,GDB ChEMBL
11730,CCC1C2CC[NH+](CC)CC12C1CN1,0,GDB ChEMBL
160961,CC(C)C(C)C1COCC(O)C(=O)C1,0,GDB ChEMBL
274249,CCCC1C2CN3C(C2O)C13,0,GDB ChEMBL
392517,CC1[NH2+]CC2CC(CO)=CC2C(C#N)C1C,0,GDB ChEMBL
209895,C#CCC1CC2OCCC([NH2+]1)C2OCCCC,0,GDB ChEMBL
79488,NC(=O)C1(O)C2NC(=O)C1NC2=O,0,GDB ChEMBL
323193,CC(C)(C)C#CCCO,1,GDB ChEMBL
378559,C#CCC1[NH2+]CCCCC2C=CCC21,0,GDB ChEMBL
274041,CC1CC1(C[NH3+])C(O)C(C#N)CO,0,GDB ChEMBL
254259,CCCCC(=CC(F)(F)F)CCC,0,GDB ChEMBL
45948,O=C1CC([NH2+]CCO)C2CC2c2conc21,0,GDB ChEMBL
260728,COC1CC=CC1C1(C2CCC=C2C)CC1,0,GDB ChEMBL
244537,Cc1cc(C(=O)c2c[nH]cc2C#N)nc(Cl)n1,1,GDB ChEMBL
83551,CC(NCC#N)C(=O)[O-],1,GDB ChEMBL
18312,CC1C2(C)CCCCCCC1(C)CC2,0,GDB ChEMBL
50894,COC(C)CC1C=C(C)CC1,1,GDB ChEMBL
238029,CCCNC(C#N)CC1=CC2CC1C2,0,GDB ChEMBL
280444,CC1C=CC2(O)CN(C2)C(=O)C[NH2+]1,0,GDB ChEMBL
23572,CCCC1CCC(C2CC2)CC1(C)C,1,GDB ChEMBL
243323,CC1(N2C(=O)C3CC(O)C(O)C2C3)CCCC1,0,GDB ChEMBL
333611,C#CC1(OCc2ccc(F)cn2)CCC1[NH3+],0,GDB ChEMBL
310809,CCC1CC(C)C2CCC[NH+]12,0,GDB ChEMBL
57288,CC1=CC(C)C2CC(C)C(C1)C21CC1,0,GDB ChEMBL
112076,COCCc1nsc(C[NH3+])c1N,0,GDB ChEMBL
372753,COCC1C(=O)C(CS(N)(=O)=O)N1CCO,0,GDB ChEMBL
174154,CC1CC=CCC(C)(C(C)C)CC1,1,GDB ChEMBL
156209,CCC(OC)C1C(C(C)(C)C)CC(C)(C)C1C,0,GDB ChEMBL
120558,NC(=O)Nc1ncc(N)n1C(N)=O,1,GDB ChEMBL
305186,CCCC1N(C(N)=O)CC(O)(C#N)CC1(C)O,1,GDB ChEMBL
184084,CC(NC(=O)C(CO)CO)C1OC1(C)C,1,GDB ChEMBL
8671,CC1CC2(CN2C=O)C([NH3+])C1C(=O)[O-],0,GDB ChEMBL
308146,CC1C(N)(C(=O)[O-])C2CC(CC2[NH3+])NS1(=O)=O,0,GDB ChEMBL
124295,CCCCC(CCC)C(CC)(CC)CCCC,0,GDB ChEMBL
194427,CNC(=O)[C-](C#N)N=C1CC[NH+]=C(N)N1,0,GDB ChEMBL
303926,CCC1C=C(C)CC(C)(O)C1,1,GDB ChEMBL
239985,CC(C)NC(=O)c1c[nH]cc(CO)c1=N,1,GDB ChEMBL
112653,CC(C)C([NH2+]C1CCC1)C(C)(N)C(O)C[NH3+],0,GDB ChEMBL
278154,CNC1=[NH+]C(CO)C(N)CC1C,0,GDB ChEMBL
161379,CCC(C)(C)CCN1C=[NH+]CC(O)CC1CO,0,GDB ChEMBL
43509,[NH3+]C1C(=O)NCC(=O)N2C(C(=O)[O-])C12,0,GDB ChEMBL
244489,O=C1CCc2nc(Cl)cnc21,1,GDB ChEMBL
161986,O=C1c2cn[nH]c2CCC2CN12,0,GDB ChEMBL
129833,CCC1(C)C[NH+](CC2CC2)C(C)C1C,0,GDB ChEMBL
85812,CC1=CCCC2C[NH+](C)CC(C1)C2C,0,GDB ChEMBL
98590,NC(=[NH2+])CCC([NH3+])C1OC1CO,0,GDB ChEMBL
17635,[NH3+]C1C2C(O)C(CO)CC12C(=O)[O-],0,GDB ChEMBL
274214,N#CC1=CCNC1CC[NH3+],0,GDB ChEMBL
252702,CC1(C#N)COC(C(=O)[O-])CS1(=O)=O,0,GDB ChEMBL
296582,NC(=O)CNC(=O)C1CC=CS(=O)(=O)N1,0,GDB ChEMBL
133345,CC1C([NH3+])C(N)C2CCNC(=O)OC12,0,GDB ChEMBL
54129,COC1CC(=O)N2CC2CCO1,0,GDB ChEMBL
239962,OCCNc1cnc(C2CC[NH2+]C2)nc1Cl,0,GDB ChEMBL
358454,Cc1cc(C(C)(C)C)cc(CO)c1F,1,GDB ChEMBL
319319,C#CCC1=Cc2cc(Cl)ccc2C2CC1C2,0,GDB ChEMBL
7831,CCC1C2CC(C)(O)C1CC([NH3+])CC2C,0,GDB ChEMBL
294790,NC(=O)C12CN=CN1C2C(O)C(=O)[O-],0,GDB ChEMBL
106656,Cc1c[nH]c(=NCCC(C)(C)C)c(F)c1C,1,GDB ChEMBL
370336,C#CC(CC)C1(C)CCCCC1C1CC1C,0,GDB ChEMBL
242657,CC1CCC(O)C2COC(=O)N12,1,GDB ChEMBL
317597,CCC12C=C(C)CC(C1)C(C)OC2,0,GDB ChEMBL
114366,CCC1(C#CCO)CC([NH+](C)C)CC1(C)C,0,GDB ChEMBL
210215,CCCC1CCC2(CC2)CC(C)CC(C)C1,0,GDB ChEMBL
62841,CCc1cc(C(=O)[O-])[nH]ccc[nH+]c(=N)c1N,0,GDB ChEMBL
112093,C#CC1OC(C)(C(C)O)CC[NH+](C)CC1C,0,GDB ChEMBL
11419,C#CCC(C)C=CC=CCCC=C,1,GDB ChEMBL
47521,C[NH2+]C(CC(N)=O)C(O)C#CC(C)[NH3+],0,GDB ChEMBL
284845,C#CC1(O)CCC(=O)C12C=CC([NH2+]C)C2C,0,GDB ChEMBL
70909,CCC1C=CCc2nccn2C1,1,GDB ChEMBL
216610,C[NH2+]C(CC(C)C(=O)[O-])CS(=O)(=O)[O-],1,GDB ChEMBL
227753,N#CC1CC(CCS(N)(=O)=O)N1,0,GDB ChEMBL
366746,NCC([NH3+])CCC([NH3+])C(CCO)C(N)=O,0,GDB ChEMBL
284681,C#CC12CC1c1ccc(F)cc1C2C,1,GDB ChEMBL
354739,COC(C[NH3+])C1CC(O)C(=[NH2+])N1,0,GDB ChEMBL
263820,CC(C[NH3+])C1(C2CC=CC2O)CO1,0,GDB ChEMBL
282002,CC1=CCC(C)(C)CCCCNC(=O)C=C1,0,GDB ChEMBL
304862,C#CCC(C#C)C1CCCCC(C)[NH2+]CCC1,0,GDB ChEMBL
302329,CC1CC#CC=Cc2cccc(c2)C1,1,GDB ChEMBL
255398,CC1CC=CC2C(=O)NCCC2C1,0,GDB ChEMBL
398982,CC([NH3+])C#CC1CC(CO)C[NH2+]1,0,GDB ChEMBL
354353,C#CC1CC(=NC(C[NH2+]CC)C(N)=O)O1,0,GDB ChEMBL
48471,Brc1cccc(C23CCCCC(CCC2)C3)c1,1,GDB ChEMBL
26831,COC(C(N)=O)C(O)C(O)C[NH3+],0,GDB ChEMBL
107813,CN1CC2C(C(N)=O)C1CS2(=O)=O,0,GDB ChEMBL
130336,NC(=[NH2+])NC(CO)(C(=O)[O-])C1CN1,0,GDB ChEMBL
239392,COCC(O)C1CC1CCC[NH3+],0,GDB ChEMBL
280313,C[NH2+]CC1CC1C[NH+](C)CC#CC(C)[NH3+],0,GDB ChEMBL
9730,C[NH2+]C1C(=O)CCC2CC(C2)CC1C,0,GDB ChEMBL
67814,COC1CCC=C(C(N)=O)CC1[NH3+],0,GDB ChEMBL
29263,CNC(=O)C1(C2(C=O)CO2)CCC[NH2+]1,0,GDB ChEMBL
300929,[NH3+]C1C2CC(C2)C(NCC(F)(F)F)C1O,0,GDB ChEMBL
288654,CCC1CCN2C(C([NH3+])CC(C)C)C12,0,GDB ChEMBL
61521,O=C1C2[NH2+]CCC2CCS(=O)(=O)C2CN12,0,GDB ChEMBL
151178,CCC1CCCCC12CC(C)=CC2C,0,GDB ChEMBL
204839,NS(=O)(=O)CC1C(=O)NCCC1[NH3+],0,GDB ChEMBL
31993,CC(=O)C[NH2+]CCC1COC1,1,GDB ChEMBL
346969,CN=COC(C(N)=O)C(O)CO,0,GDB ChEMBL
18930,C#CCc1ccc(CC#C)c(Cl)c1Cl,1,GDB ChEMBL
281967,CCOC(C)C1(C(=O)[O-])CN1,0,GDB ChEMBL
161007,CC1CCC(NC(N)=O)C(CO)C2(C)OC12,0,GDB ChEMBL
283249,CCC(C)C(C)OC1C[NH2+]C1,0,GDB ChEMBL
340477,CCC(C)(O)C([NH3+])CCO,1,GDB ChEMBL
368505,N#CCc1cc2c(cc1O)CC(=O)CNC2,1,GDB ChEMBL
341321,CC1(C)CC(c2sc(CCO)cc2C#N)C1,1,GDB ChEMBL
34240,COc1ccnc(F)c1C(C)(O)C1(O)CC1,1,GDB ChEMBL
34985,CN=C(C)N(C=O)C1COC1,1,GDB ChEMBL
231145,Cc1csc2c1C(C[NH3+])C(CC(F)(F)F)NC2,0,GDB ChEMBL
318056,C[NH2+]CC1OCC(C(=O)OC)C(=O)O1,0,GDB ChEMBL
85651,C#CC1(CCCC)OC2CC1C2,1,GDB ChEMBL
28240,CCC(C(C)C)C1CC1[NH2+]CC=O,0,GDB ChEMBL
286172,CC(C)CC=C1CCCC=CC1C,1,GDB ChEMBL
222072,N=C1NC(=O)CC2(CC2O)C(C(N)=O)N1,0,GDB ChEMBL
245521,Cc1ccc(Br)c(Nc2c(C)csc2C[NH3+])n1,0,GDB ChEMBL
135399,NC(=[NH2+])C1CC(N)C([NH3+])CC(O)CC1O,0,GDB ChEMBL
257429,NC1C(=O)NCCC([NH3+])C12C(O)C2O,0,GDB ChEMBL
71991,N#CCOc1ccc2c(c1)CCCO2,1,GDB ChEMBL
89672,C#CCC1CC([NH+](C)C)CC1(O)C(C)C,0,GDB ChEMBL
330392,CCCCC1CC2C=CC(C(OC)C2)C1C,0,GDB ChEMBL
95564,C#CCC1CCC(C(C)CCC)C(C)(C)CC1,0,GDB ChEMBL
371680,CC1CC2[NH2+]C1CC2C(=O)N1CC1C,0,GDB ChEMBL
103522,Cc1ncc(N)nc1NCCN(C=O)C(C)C,1,GDB ChEMBL
33530,CC1(C)C(=O)NCC12CO2,1,GDB ChEMBL
129403,CCC12CC[NH+](C(C)C1)C1(C2)C(C)CCC1C,0,GDB ChEMBL
76766,CC1CC(N)C2CCCC1(O)C[NH2+]2,0,GDB ChEMBL
194384,CC1C2C3CC(OCC[NH2+]3)C12,0,GDB ChEMBL
99076,CCC1C(=O)NC2(C)CC1OCC2(C)C(N)=[NH2+],0,GDB ChEMBL
317938,CCC(C=O)(C=O)N(C)C(CC(N)=O)C(=O)[O-],0,GDB ChEMBL
103517,COC(C)(C(CC(C)O)C(C)C)C1(C)CC1,0,GDB ChEMBL
362614,O=S(=O)([N-]CC1CC1)c1nsnc1[O-],0,GDB ChEMBL
370243,CC(C)CC1C2C[NH2+]C1C([NH3+])C2,0,GDB ChEMBL
374011,COC1(CO)CN=C(CC(N)=O)NC1=O,0,GDB ChEMBL
275470,CC1OC2C(C(CC(N)=O)NS2(=O)=O)C1O,0,GDB ChEMBL
112762,COCC1(C)CC(=CC[NH3+])C[NH+]1C,0,GDB ChEMBL
234425,CC1C=CC2CCCC(CCC1)C2,0,GDB ChEMBL
358825,O=C([O-])C1C2C(CO)CN12,0,GDB ChEMBL
652,CCCOC(=O)C(O)C(O)S(N)(=O)=O,0,GDB ChEMBL
280988,NC(=O)NCC1C2CS(=O)(=O)C1C(CO)O2,0,GDB ChEMBL
323938,CS(=O)(=O)NC1C=CC2C(CO)CC([NH3+])C12,0,GDB ChEMBL
67328,CCCC(CCO)CCC1C[NH2+]1,0,GDB ChEMBL
60612,Cc1cc(Br)cc2cc3c(cc12)CC(C)C3,1,GDB ChEMBL
240415,CCCC(=O)CCCC(C#N)(CC)C[NH2+]C,0,GDB ChEMBL
111910,CC(C)Nc1nc[nH]cccc(C[NH3+])n1,0,GDB ChEMBL
300162,C=CCC1CC2(CC=CC2)CC[NH2+]1,0,GDB ChEMBL
362212,CCCCC1CCC=CC1OC,1,GDB ChEMBL
304259,NC(=[NH2+])NCCC(NC=O)C1CCOCO1,0,GDB ChEMBL
340517,CC1CC(C)(C)C2CC[NH+](C)C1C1CC12,0,GDB ChEMBL
281980,FC(F)(F)CCN1CC2(C[NH2+]CCN2)C1,0,GDB ChEMBL
177991,CNC(=O)CC1(C)CC1[NH2+]C,0,GDB ChEMBL
277645,C[NH2+]CC(C(=O)NC=O)N1CCC1,1,GDB ChEMBL
182144,C#CC1(O)CCC2C(C)(C)CC3[NH2+]C(C)CC321,0,GDB ChEMBL
360849,C#CC(O)C(COCc1cccc(I)c1)[NH2+]C,0,GDB ChEMBL
217171,N#CC(CS(=O)(=O)[O-])C(=O)[O-],0,GDB ChEMBL
151714,OCc1ccc(Br)c(CC2CCC[NH2+]2)n1,0,GDB ChEMBL
311629,CC(O)C1NC(=O)C2(COC(N)=[NH2+])CC12,0,GDB ChEMBL
261216,CCC1OC=NC1C[NH+](C)C,0,GDB ChEMBL
17580,C#CC(C)C1([NH3+])CC(CCCC)N(C)C1C[NH3+],0,GDB ChEMBL
185327,CC(O)Cc1ccnc(Br)c1N,1,GDB ChEMBL
312820,Cc1ccc(F)c2sc3c(c12)CC(C)C(C)C3,1,GDB ChEMBL
221689,CCOCC#CCCC1CC[NH+]1CC,0,GDB ChEMBL
259359,CCCC(C)c1cccc(C)n1,1,GDB ChEMBL
22521,C#CC(C)CN(C)CC(F)(F)F,1,GDB ChEMBL
76407,O=C1NCC2C3(O)CCCOC123,0,GDB ChEMBL
331751,CCCC1(CC)C2CCC1(C)C(C(N)=O)[NH2+]C2,0,GDB ChEMBL
284778,C=CCC1(CC=C)OC1C(C)CC,1,GDB ChEMBL
65581,C#CC1CC(C(C)=O)C(NC(C)=O)CCC[NH2+]1,0,GDB ChEMBL
305243,CCC=CC(=O)C(CCO)NC=O,0,GDB ChEMBL
304268,CC([NH3+])CC(=[NH2+])Nc1cc(O)cn(C)c1=O,0,GDB ChEMBL
259133,COC1(C[NH3+])CCOC(=O)NC2CC1C2,0,GDB ChEMBL
383304,CCCCC12CC(CC)C(C1)C1CCC2C1,0,GDB ChEMBL
99686,N#CC(CN)(CO)NC(N)=O,1,GDB ChEMBL
99396,CC1C(=[NH2+])NC(C(=O)[O-])C(O)CC1C=O,0,GDB ChEMBL
44943,CC1C([NH3+])CC2C([NH3+])C(O)(CC(=O)[O-])CN12,0,GDB ChEMBL
95519,[NH2+]=C1NCCC2(C[NH3+])C(O)C2(C(=O)[O-])N1,0,GDB ChEMBL
29209,Cc1cc2sc1C(=O)OCCC(=O)CCN2,1,GDB ChEMBL
5872,O=C([O-])C1NCC2OC(=O)C1(O)C2O,0,GDB ChEMBL
84912,NCC([NH2+]CC(=O)[O-])C1CCNC(=O)N1,0,GDB ChEMBL
363155,CCC1=CC(C=O)(CC)OCC[NH+](C)C1,0,GDB ChEMBL
396743,CCC(O)(CS(=O)(=O)[O-])C(C#N)C(N)=O,0,GDB ChEMBL
337407,CCC(C)(C)OC(C(C)C[NH3+])C1(O)CC1,0,GDB ChEMBL
29767,CCCC1C2C3CCC(C3)C2C([NH2+]C)C1(C)C,0,GDB ChEMBL
136653,O=C(c1cc(Br)nc2c1CCCN2)C1CC1,1,GDB ChEMBL
356824,C[NH2+]CC(O)C(O)C(C)C[NH3+],0,GDB ChEMBL
386660,CC(=O)OCC(=N)NC(=N)OCC[NH3+],0,GDB ChEMBL
228920,CCCC1(C)CC(CCC(C)C)CCC1CO,0,GDB ChEMBL
309820,CCC1C(C)C2CC(C)C(C)(C)CC2C1OC,0,GDB ChEMBL
143490,CCC1OCC([NH3+])C2OC1C([NH3+])C2O,0,GDB ChEMBL
148196,CCCOC1(C#N)C(C)CC(C)C1C(O)C[NH3+],0,GDB ChEMBL
219516,Nc1nc(O)c(C(=[NH2+])NCC[NH3+])s1,0,GDB ChEMBL
28206,CCC(C)C(C)CC(C)(CC([NH3+])C(C)C)[NH2+]C,0,GDB ChEMBL
41062,N#Cc1ccc2ncoc2c1Cl,1,GDB ChEMBL
393553,CC1COc2c(F)ccc(C(=O)[O-])c21,0,GDB ChEMBL
48010,CCC1(C)CCC=CC2CCCC(C)C21,0,GDB ChEMBL
355313,COCc1onc2c(C(N)=O)c(C)[nH]c12,0,GDB ChEMBL
40409,CCCCC1=CCC(C)=CCCC=C1,1,GDB ChEMBL
257527,C#CC1CCC(C)(C(C)C)C(C(CC)CC)C1,0,GDB ChEMBL
290140,CNC(=N)C(=O)OCC(C)[NH2+]C(C)(C)C,1,GDB ChEMBL
141700,CC(C)COCC(C)C(=O)C1(C)C[NH2+]C1,0,GDB ChEMBL
190104,CC#CC1C2CC(C)CCC(OC)C(O)C12,0,GDB ChEMBL
89669,CCC(C)(OC)C1OCC2CC21,1,GDB ChEMBL
191694,CCC(C)(O)C1(C)CC=CC=CC=CC1,0,GDB ChEMBL
349469,CCOC=Nc1cn(CCC(=O)[O-])cn1,1,GDB ChEMBL
200590,CC1(COCCCO)CN1,1,GDB ChEMBL
333852,C[NH+]1CCC(C2CNC(=[NH2+])C2N)C1,0,GDB ChEMBL
240792,CCCC#Cc1ccsc1C(C)CC,1,GDB ChEMBL
134469,COc1nc(C#N)sc1NC(C)=O,1,GDB ChEMBL
95618,C=C(C)Cc1csc(NC(C)=O)n1,1,GDB ChEMBL
11247,C=C1C(C[NH3+])CC2(C)CCOCC12,0,GDB ChEMBL
136558,N#CCCCS(=O)(=O)N1CC(O)C([NH3+])C1=N,0,GDB ChEMBL
39944,CCC(=NO)C(O)(CCO)CC[NH2+]C,0,GDB ChEMBL
94663,O=C1OCCOCCCC(CO)c2[nH]ccc21,0,GDB ChEMBL
144617,CCCC[NH2+]C1(C=C(C)CC)CC1,0,GDB ChEMBL
304595,CCC1(C)C2Cc3cccc(I)c3N21,0,GDB ChEMBL
277634,CCC(C)(C)C1C2COC(C2)C1C,0,GDB ChEMBL
354733,C#CCOC(=O)NC(C=O)C(N)=[NH2+],0,GDB ChEMBL
119832,Cc1ccc(Cl)c2ccoc12,1,GDB ChEMBL
115862,CCC12Cc3ccc(Br)c(C)c3C1C2,1,GDB ChEMBL
288468,CC(C=O)CCOCc1ccoc(=O)c1CO,1,GDB ChEMBL
263804,C=CC1(C#N)CNC(=O)NCC1N,0,GDB ChEMBL
223967,N#CC1[N-]C(=O)C=CCC1(C=O)CO,0,GDB ChEMBL
38181,CCCS(=O)(=O)[N-]C(=O)CS(=O)(=O)CC(C)=O,0,GDB ChEMBL
355183,CCCCC(C)CC1=CCCC1C,1,GDB ChEMBL
40394,CC1CC2=CCC(CC2)[NH2+]CCC1CC#N,0,GDB ChEMBL
389476,Cc1cc(F)c2c3c1C1(CC1)CC3CCC2,1,GDB ChEMBL
81579,[NH2+]=C(NCCCO)N1CC(O)C(=O)CNC1=[NH2+],0,GDB ChEMBL
26894,Cn1cc2c(c1)OCC2,1,GDB ChEMBL
280982,CC[NH2+]C(CC)C1CC(C)CCCC[NH+]=CN1,0,GDB ChEMBL
71702,CC(=O)NC(=N)CCNc1nc(N)cs1,1,GDB ChEMBL
368528,CCCN=C(OC=O)C(N)C([NH3+])C(=O)[O-],0,GDB ChEMBL
259146,CC(CC1COC(S(=O)(=O)[O-])C[NH2+]1)C(=O)[O-],0,GDB ChEMBL
132309,CC1C[NH+]2CCN(C3CCC3)CC(C2)C1C,0,GDB ChEMBL
161834,CCC(O)(CC[NH3+])C(C[NH3+])C(C[NH3+])NC,0,GDB ChEMBL
223290,C#CCOC(CC)c1cc(CC)sc1C,1,GDB ChEMBL
306006,COCC([NH3+])C(C)Cn1ncnn1,1,GDB ChEMBL
25122,CNC(=O)OC12CC(=O)C(C1)C2O,0,GDB ChEMBL
112575,C[NH+](CC(=O)[O-])CC1CNS(=O)(=O)O1,0,GDB ChEMBL
37174,N=C1CNC2CNC(CO)C(=O)NC2CO1,0,GDB ChEMBL
2150,CC1=NC(C(N)=O)C=CCCO1,0,GDB ChEMBL
80505,CCCC1=CC(CC2CC2)C(C)C1,0,GDB ChEMBL
70843,CC(=O)N1CCC23OC(=O)NC2=NCC13C[NH3+],0,GDB ChEMBL
398931,CC(C)C12OC1CN(C)C2C=O,0,GDB ChEMBL
210229,C#CC(OC(=[NH2+])N(C)C)C1CC[NH2+]C1,0,GDB ChEMBL
291875,CCC(CC)C1(C)CCCC1C1CCCC1C,0,GDB ChEMBL
33832,CCC(C)N(C)C(=O)C(C=O)S(=O)(=O)CC,0,GDB ChEMBL
343272,C[NH2+]CC1C2OC(=O)[N-]C12C#N,0,GDB ChEMBL
83092,NC(=[NH2+])NC1COCC(O)C1,0,GDB ChEMBL
245524,C=C1C=CCC(C(C)CCCC)C1,1,GDB ChEMBL
11692,CC#Cc1ncc(NC)cn1,1,GDB ChEMBL
2999,C#Cc1ccc(CC(C)C(C)(C)O)cc1C,1,GDB ChEMBL
54104,CC(CCc1cccc(I)c1)C1CC1,1,GDB ChEMBL
308224,CC1(O)C(C#N)C1NC1CCC1,0,GDB ChEMBL
334764,Cc1c(O)c(I)nc2c1CC(CC(C)C)CN2,0,GDB ChEMBL
301412,CC(CO)[NH2+]C(C)C1(C)COC(C)C1C,0,GDB ChEMBL
333655,CC12CC(=O)Oc3cc(O)nc(c31)C(C[NH3+])C2,0,GDB ChEMBL
29932,CS(=O)(=O)CCC1(CO)COC(=O)C2OC21,0,GDB ChEMBL
292318,CCCCCN1CC(O)C1=O,1,GDB ChEMBL
165255,C#CC([NH3+])C1CC(C)C(O)C[NH+]2CCOC1C2,0,GDB ChEMBL
172758,N=C(N)c1n[nH]cc1C(N)=O,1,GDB ChEMBL
45077,CCCC(C)C1C(C)(C)CCCOC1(C)CC,0,GDB ChEMBL
367608,CC1CC2C(C)c3cccc(Br)c3C12,0,GDB ChEMBL
125651,CN(C)S(=O)(=O)CC(=O)CNC(N)=O,1,GDB ChEMBL
234893,C=C1CC=CC1CC1CCCCC1,1,GDB ChEMBL
38872,C#CC1CC2C(CO)C1C[NH+]2C,0,GDB ChEMBL
113533,C#CCN1CC2(COC2)NC1=[NH2+],0,GDB ChEMBL
106026,CC[NH+](C)C1CCC=C1c1sccc1C[NH3+],0,GDB ChEMBL
336067,CC#CC(C[NH3+])OCCC(CC)C(C)C,0,GDB ChEMBL
300523,O=C1OCC(O)C2CNC12,1,GDB ChEMBL
326428,CC1CC(c2ccncc2Cl)[NH+]2CCC12,0,GDB ChEMBL
129541,CC(=O)CC1(C)OCC23CNC(=O)C2C13,0,GDB ChEMBL
268163,CC1CC2CCNC(=O)C(C)([NH3+])C2C1,0,GDB ChEMBL
355019,C#CC(C)C1CC=C(C)CC1(C)CCC,0,GDB ChEMBL
365719,CN(C(=O)Cc1nc(N)no1)C1(C)COC1,1,GDB ChEMBL
362677,C[NH+]=C(NC(N)=[NH2+])NC(C)CO,0,GDB ChEMBL
38911,CC(C)CCC1C(C)CC2(C)CC1C(C)O2,0,GDB ChEMBL
316095,CCC1C=CC(C2CCCCC2CC)C1C,0,GDB ChEMBL
184528,CC(C)C1C2CCCC([NH3+])CCC1C(C)C2,0,GDB ChEMBL
162478,N=C1CC(C(N)=O)N1C(=N)NC(=O)C[NH3+],0,GDB ChEMBL
40032,CC1OCc2cccc(I)c21,1,GDB ChEMBL
375567,CCCC1=C2CC=CC(C)C2C(=O)N1,0,GDB ChEMBL
170254,C#CC1OCCC(C)(C)C1=O,0,GDB ChEMBL
315285,N#CC1C=C(CCO)CC1=O,0,GDB ChEMBL
291916,CCC([NH2+]C)C12CCC(=O)NCC(C1)C(C)[NH2+]2,0,GDB ChEMBL
225204,COC1C=CCC2(CCC2C(C)C)C1O,0,GDB ChEMBL
2358,CCCC1C(C)C[NH+](CC(C)(C)C)C1CC,0,GDB ChEMBL
301506,CCc1cc(F)cc(OCC(C)(C)C)c1C=O,1,GDB ChEMBL
372760,N#CC1OC1C(C[NH3+])NCCC(=O)[O-],0,GDB ChEMBL
214702,CC1=CC2CC3(CCCCC3)[NH2+]CC1C2C,0,GDB ChEMBL
89701,Cn1cc(N)cc1CC(=O)CCO,1,GDB ChEMBL
381489,Cc1ccc(C[NH3+])c(F)c1C1(C[NH3+])CC1,0,GDB ChEMBL
64338,CC(C=O)C1CC=CCC[NH2+]1,0,GDB ChEMBL
127861,CC1=CC=CC(C)[NH+](C)CC=C1,0,GDB ChEMBL
181652,CCCC1(C)CCCC2CC(=O)CC1[NH+](C)C2,0,GDB ChEMBL
300467,CC(O)CC([NH3+])C1(C)CCC2CC(C[NH2+]2)C1,0,GDB ChEMBL
216133,CC1C(C([NH3+])CC[NH3+])C(=O)N1C=O,0,GDB ChEMBL
250643,C=C(CC[NH3+])C(C)(C#CC)COC,0,GDB ChEMBL
372587,CC(C)(c1ccncc1)C1CC1,1,GDB ChEMBL
143827,C=Cc1ccc(C(=O)CC)c(C)c1,1,GDB ChEMBL
355038,CCC1C(C#N)=CC2CN1C2,1,GDB ChEMBL
372566,CC1([NH3+])CNC(CS(N)(=O)=O)C1,0,GDB ChEMBL
280501,CC(O)c1cc(F)c(O)cn1,1,GDB ChEMBL
122706,C#CCC(=[NH2+])N(C)CC#N,0,GDB ChEMBL
199040,CC12COC(C=C1C(=O)[O-])C2O,0,GDB ChEMBL
159736,CNc1ccc2c(C#N)c(C)n(C)c2c1Br,1,GDB ChEMBL
116379,[NH3+]C1CC(O)C2(CO2)CC(C(=O)[O-])C1O,0,GDB ChEMBL
244641,CNC(CO)(CS(N)(=O)=O)C(C#N)OC,0,GDB ChEMBL
277827,[NH3+]CC1CC2NC(C(=O)N1)C(O)C2[NH3+],0,GDB ChEMBL
317550,CCC(C#N)n1c(N)[nH+]c(CN)c1C,0,GDB ChEMBL
325744,CC1CCC2C3CC3(C)C[NH+]2C1,0,GDB ChEMBL
353547,CC1(C(N)C(=O)NC(N)=O)C([NH3+])CC1CO,0,GDB ChEMBL
392753,CNC(C)(CNc1nc(O)cn1C)C(=O)OC,0,GDB ChEMBL
274633,CCC1C2[NH2+]CCC12c1cccc(Br)c1,0,GDB ChEMBL
362629,C[NH+](CC1(C)C=CCO1)C1CC1,0,GDB ChEMBL
255410,CC1C[NH+]=C(NCCC(N)=O)CC(C)C1,0,GDB ChEMBL
372641,C#CC1(C=C)CC(C)C(O)C1[NH2+]C,0,GDB ChEMBL
252864,O=C(c1[nH]nc2c1CCCN2)N1CC1,1,GDB ChEMBL
82141,CC[NH2+]C1(C)C=C(C)CC1[NH3+],0,GDB ChEMBL
150527,CC[NH2+]C1CCC2(CC=O)CCCC[NH2+]CC12,0,GDB ChEMBL
28204,CC1CC2CCC(C(C)(C)CO)(CC2)C1,0,GDB ChEMBL
28985,CCCCc1c(C)c(C)cc(C2CC2)c1Cl,1,GDB ChEMBL
20721,CC(=O)CCC1(OCCS(N)(=O)=O)C[NH2+]C1,0,GDB ChEMBL
324268,COCC1[NH2+]C2CC1(C)C1CC21,0,GDB ChEMBL
286123,C[NH2+]C1CC(C)CN2CC2C1,0,GDB ChEMBL
149967,CC#CCc1ccn(C2CC2)c1CC,1,GDB ChEMBL
253635,C#CC[NH+](C(C)C)C1CCCOC1C,0,GDB ChEMBL
302646,CNc1nc(C)nc(C)c(CO)[nH]c(=O)n1C,0,GDB ChEMBL
321792,CC1C2CC2CCCC[NH+]1CC(C)(C)C,0,GDB ChEMBL
393542,CC1C2CCC1(C(=O)[O-])C2C(N)=O,0,GDB ChEMBL
235000,COC(=O)C1NC2CC1C2C#N,1,GDB ChEMBL
260142,COC(=O)C(CO)OC(=O)C(=O)C(=O)[O-],0,GDB ChEMBL
15533,CC(C)[NH2+]Cc1c(Cl)ncc(C(F)(F)F)c1Cl,0,GDB ChEMBL
203485,NC(=[NH2+])Nc1ccncc1,1,GDB ChEMBL
178048,O=c1cc(Cl)c2c(o1)CC[NH2+]C2CO,0,GDB ChEMBL
362818,C[NH2+]CC1NC(CO)(C(=O)[O-])C1C[NH3+],0,GDB ChEMBL
389480,CCC1(CN(C)C)[NH2+]C2CC1C2,0,GDB ChEMBL
362712,CN1Cc2cccc(F)c2C1(C=O)C=O,0,GDB ChEMBL
325761,CC(O)C1OC1C(C=O)CCO,1,GDB ChEMBL
326437,[NH2+]=C1NC(C(=O)[O-])C([NH3+])CC1O,0,GDB ChEMBL
195323,CC1CC(=O)C(O)(CN2CC2)CN1S(C)(=O)=O,0,GDB ChEMBL
271806,Cc1noc(C2(C)CN2)c1CCS(N)(=O)=O,0,GDB ChEMBL
354836,CCOC(=O)C(Nc1scnc1O)C(C)O,1,GDB ChEMBL
258746,CC(NC(=[NH2+])NC(=N)c1ncsc1N)C(=O)[O-],0,GDB ChEMBL
206807,CCC(=O)C12C3C=CC1C=CC2C=C3,0,GDB ChEMBL
176403,NC12C[NH+]=CNC(CC(=O)NC1C(=O)[O-])C2,0,GDB ChEMBL
105070,CCC(C)(C)Cc1c(C)cc2c(c1Cl)CCC2,1,GDB ChEMBL
6047,C#CC(C#C)OCC(=O)N1CC1,1,GDB ChEMBL
286115,COC(=O)C(=O)Nc1[nH]nc(C)c1N,1,GDB ChEMBL
300544,CC1([NH3+])C=CCC(CO)C1,0,GDB ChEMBL
39908,CCCC1C2C(CC)C2CC(CC)[NH+]1CC,0,GDB ChEMBL
315136,COC(=O)COC1(C)COCC1[NH3+],1,GDB ChEMBL
184941,[NH3+]CC(CO)C1OC(=O)N2C(C[NH3+])C12,0,GDB ChEMBL
133172,CNC(=O)c1coc(N)c[n-]c(=O)nc1C#N,0,GDB ChEMBL
318041,CNC(=O)c1sc(OC(C)C)cc1C(=O)[O-],0,GDB ChEMBL
184668,O=C(COCC1CO1)N1CC1CO,1,GDB ChEMBL
115386,CC(=O)N(C)CC(C#N)N=CN1CC1,0,GDB ChEMBL
62550,CC(C)C(O)C(CO)CC1[NH+]=CN2CCCC12,0,GDB ChEMBL
255530,CNC1C[NH2+]CC1C(C)CO,0,GDB ChEMBL
178029,[NH3+]CC(CO)CCC(O)CO,0,GDB ChEMBL
9988,C[NH+](C)CCCCC[NH2+]C(C)(C)CC[NH3+],0,GDB ChEMBL
310304,CCC1CC(C)C2C(C[NH3+])N2C1,0,GDB ChEMBL
258000,C[NH2+]C1C2CCCC1C(C)C(=O)C2C,0,GDB ChEMBL
167300,CCN=C1C[NH2+]C(C)C(C)(CCC(=O)[O-])N1,0,GDB ChEMBL
93147,Cc1cc(NCC(C)(C)C2CC2)cc(N)[nH+]1,0,GDB ChEMBL
29794,CC1CC2(C=Cc3cccc(Cl)c32)C1,1,GDB ChEMBL
23522,CC1CC2(C)C(C)CCC1(C)C2C(F)(F)F,0,GDB ChEMBL
29779,Cc1nc(COCC[NH3+])nc(=O)c(CO)c1N,0,GDB ChEMBL
77066,CC1CCCC12CCCC1CCOCCC1C2,0,GDB ChEMBL
162519,N=c1ccn(CCNC(N)=[NH2+])cn1,0,GDB ChEMBL
98559,CC1C2CCC[NH+]1CC(C)(C)C2(C)CO,0,GDB ChEMBL
118105,COC1CC(C[NH3+])OC1C(OC(N)=[NH2+])C(C)O,0,GDB ChEMBL
355822,[NH3+]C(CCO)C(O)C([NH3+])C1CNS(=O)(=O)C1,0,GDB ChEMBL
328812,NC(=[NH2+])NC12C(N)C(=O)OC1C2CO,0,GDB ChEMBL
272540,CC(C)(CCO)CCc1ncnc(N)c1F,1,GDB ChEMBL
124764,CC[NH2+]C(C)C1C2CC(C)C1C1(CC1)C2,0,GDB ChEMBL
41050,CC(C)CC1(C)CCC(C=O)[NH2+]C1,0,GDB ChEMBL
165647,C#CCNC1CC(CC)C(C)C1[NH3+],0,GDB ChEMBL
169453,CC(=O)OCC12CNC1C([NH3+])(C(C)C)CO2,0,GDB ChEMBL
248246,C=C(C)CC1C=CC(CCC)CC1,1,GDB ChEMBL
189873,CCC1CCC2(CCCC2)[NH2+]C1,0,GDB ChEMBL
284731,CC1C=CC(C)CC(C)C1,1,GDB ChEMBL
248213,N#CC(NC(=O)OC=N)C(N)=O,1,GDB ChEMBL
252915,C#Cc1cc(C)cc(C(C)C2(C)CC2)c1,1,GDB ChEMBL
368498,C#CCCC1(COCCC)CC(C)([NH3+])CC1C,0,GDB ChEMBL
258269,NC(=O)NCC([NH3+])c1cncs1,0,GDB ChEMBL
65894,CN(C(N)=O)C(N)=NC1COC(=O)C1N,0,GDB ChEMBL
60608,COc1nc(=O)[nH]c(C(O)CC[NH3+])c1C,0,GDB ChEMBL
276109,C[NH+]1CC2CC2C1(C)CO,0,GDB ChEMBL
114351,CC1(C)C2CC=CC[NH2+]CC21,0,GDB ChEMBL
272583,CC1C=CC(=C2CCOC2)C(=O)N1CC#N,0,GDB ChEMBL
385630,C#Cc1cc(Cl)c(C)c(Cl)c1C#CC1CC1,1,GDB ChEMBL
134786,CC1=C(C)C(C(N)=O)NC(=[NH2+])N1,0,GDB ChEMBL
339209,Cc1c(O)cc2c(c1F)CC(C)C(C)(C)C2=O,0,GDB ChEMBL
246935,CCC1CC(C)C(C)CC(C(C)C)C1,0,GDB ChEMBL
162878,C#CCC1(CC)CC(COC)C1,0,GDB ChEMBL
349979,CCC1(C)CC1[NH2+]C(C)C(C)C,0,GDB ChEMBL
50966,CC1N=C(NC(=O)CCO)C(=NO)CC1O,0,GDB ChEMBL
105997,CCCC#Cc1[nH]c(=O)cnc1C(C)C,1,GDB ChEMBL
248845,CC(C(C(=O)[O-])C(=O)[O-])S(N)(=O)=O,0,GDB ChEMBL
254909,COC1CNC(=O)CC(O)CNS1(=O)=O,0,GDB ChEMBL
148778,C#CCOC(C)CC(O)C(C)(C)O,1,GDB ChEMBL
163394,C#Cc1c(N)c(F)nc(O)c1CCOC,0,GDB ChEMBL
192615,COC(C#N)C1C(C)(O)CC[NH2+]C12CC2,0,GDB ChEMBL
62084,CCCC1C(C#N)CN1CC,1,GDB ChEMBL
34312,CCOC1C(C)C2C(CN)[NH2+]C1C2O,0,GDB ChEMBL
261414,C#CC(=C)C(=CCCC)CC(C)C,1,GDB ChEMBL
363515,CC1CC(O)CC(C)(C)O1,1,GDB ChEMBL
397081,C#CC(C(C)c1ccsc1)N(C=O)CC#N,1,GDB ChEMBL
194285,CC(C(N)C(C)(C#N)C(O)C[NH3+])[NH+](C)C,0,GDB ChEMBL
167314,CCC(O)C1C2OC(=O)C([N-]S1(=O)=O)C2N,0,GDB ChEMBL
67831,CC1(C)CC=C(CCO)C1[NH3+],0,GDB ChEMBL
336618,CC1CC2NC2(CO)C(=O)N1C,0,GDB ChEMBL
288596,NC1CC2CC(O)C(OC1=O)C2[NH3+],0,GDB ChEMBL
255962,N#Cc1ccnc(C2(CC=O)CCO2)c1,1,GDB ChEMBL
259660,OCC[NH2+]C1C(O)C12CCCC2,1,GDB ChEMBL
271485,CC1COC2C=CCC(=O)NCC1=C2,0,GDB ChEMBL
17607,Cc1nn(C)c2c1Cc1cccc(Br)c1C2,1,GDB ChEMBL
130181,CC1[NH2+]Cc2cc(N)ccc21,0,GDB ChEMBL
58972,C[NH2+]CCC(C(C)CC#N)C1CC1,0,GDB ChEMBL
68478,C#CC1C(CC=C)CC(C)[NH+]1CC,0,GDB ChEMBL
332726,C[NH2+]CC12C(C[NH3+])CCNC1C2(N)C(=O)[O-],0,GDB ChEMBL
354111,CC(C)CC1(C)CC2CC=CC1C2,0,GDB ChEMBL
246365,CC12OC(=O)NC1=NC(CNC(N)=O)C2O,0,GDB ChEMBL
313772,CCC1C2=CCOCCC(CO)C(C2)[NH+]1C,0,GDB ChEMBL
29688,CCCc1c[nH]c(=NCC#N)cc1N,1,GDB ChEMBL
355164,OC12CCCCC1COC2,1,GDB ChEMBL
121074,CC#CC(C)COC(=O)C1CC1,1,GDB ChEMBL
361170,CC1(C#N)CCCC1C1CC1CC[NH3+],0,GDB ChEMBL
259432,Cc1c(C#CC[NH3+])cc2n1CCCC2,0,GDB ChEMBL
355188,CC(C)C(CO)CC1CNC(=O)CNC1C[NH3+],0,GDB ChEMBL
89364,Cc1cc(N)c(NC(N)=O)ncnc(O)[nH]1,0,GDB ChEMBL
301502,CCC(CC)N(C(=[NH2+])OC)C(C)C,0,GDB ChEMBL
171904,Cc1c[nH+]c(N)n1CC(C)(C)C(O)CC#N,0,GDB ChEMBL
391764,CC(CO)C1CC(O)C2CC12,1,GDB ChEMBL
286106,CCCC1CC=CCc2cc(I)ccc21,1,GDB ChEMBL
361816,C[NH2+]C1(C)COC(C[NH3+])C1,0,GDB ChEMBL
285117,[NH3+]CCC(=O)NC1C2OC3C([NH3+])C3C12,0,GDB ChEMBL
361125,CCC1CC(CC(C)(C)CC)C(C)C[NH2+]1,0,GDB ChEMBL
200706,CC(C)(O)C1OCC2(C(N)=O)[NH2+]CC(CO)C12,0,GDB ChEMBL
349671,[NH3+]Cc1nnc(C2([NH3+])CC2)n1CC(=O)[O-],1,GDB ChEMBL
179302,NC(N)=[NH+]CCCc1ccc[nH]1,1,GDB ChEMBL
122842,CC1CC(=NO)CNC(C(N)=O)C1C#N,0,GDB ChEMBL
234241,CCC(C(C)O)C(CC)C(C)C(C)CC[NH3+],0,GDB ChEMBL
190535,CC(=N)OCC(=O)NCC(O)C(=O)CC#N,1,GDB ChEMBL
2370,C#CC(O)(CCC)CC(C)C,1,GDB ChEMBL
348585,COC(CNC=O)C1(C(=O)[O-])CC1O,0,GDB ChEMBL
384255,C#CCCC1[NH2+]C1CCCCC,0,GDB ChEMBL
258004,C#CC(O)CC1CC(=O)C(C)(O)C1[NH2+]CCC,0,GDB ChEMBL
349931,CC#CCc1cc(Cl)c(N)c(CCC)n1,0,GDB ChEMBL
193196,CC(O)C(C)[NH2+]C1COC(C)C2CC12,0,GDB ChEMBL
358586,O=C1CC23CC(N1)C(O)C2C3,0,GDB ChEMBL
4758,N#CC(O)(CC[NH3+])CCC(N)=O,1,GDB ChEMBL
319294,C#CCN(C)c1cccc2ccc(N)c(C)c12,1,GDB ChEMBL
265239,O=C1NC2C(O)COC(C1O)C2O,0,GDB ChEMBL
326457,CC1C2CC3(CO2)C(=O)CCC13,0,GDB ChEMBL
204494,CCCOC(=O)CC(C)C(=O)C(C)OC,1,GDB ChEMBL
251416,CC(CO)C1[NH+]=C(N)CC1O,0,GDB ChEMBL
309675,CC(O)C[NH+](C)C1CCCC1S(N)(=O)=O,0,GDB ChEMBL
359043,CC1N2CC3CC(CO3)C1(CO)CC2C#N,0,GDB ChEMBL
72427,NC(=O)C1[NH2+]CC2OCC([NH3+])C21,0,GDB ChEMBL
286888,CCCCC(=O)CCc1ccc(CC)c(O)c1,1,GDB ChEMBL
234471,C#CCC1C=CC2(C)CC(CCC)[NH+]1C2,0,GDB ChEMBL
275553,C[NH2+]C1C(OC(N)=O)CC(=O)C1CN(C)C,0,GDB ChEMBL
68647,NC(=O)CC1CC1c1ncon1,1,GDB ChEMBL
195210,CC1C(=CC#N)CC(CO)C1C[NH3+],0,GDB ChEMBL
41042,C#CC(C)C(CCC[NH+]1CCCC1)[NH2+]CC=O,0,GDB ChEMBL
38917,CCCC(COc1cc[nH]c(=N)c1F)C(C)C,1,GDB ChEMBL
235489,CNC1C(=O)OC2C(=NO)C1C(C)C2O,0,GDB ChEMBL
332392,CCC(COC)C1=CC([NH3+])CC1,0,GDB ChEMBL
289798,CC(C(O)CC(N)=O)C1(C[NH3+])CO1,0,GDB ChEMBL
109180,OCc1cc2ccc1C=CCC=CC[NH2+]C2,1,GDB ChEMBL
288420,CCCC(C)C1C[NH+]1CC1(C)CCCC1,0,GDB ChEMBL
130889,CCC1C2CS(=O)(=O)CC2N(C(N)=O)C1C,0,GDB ChEMBL
169103,NC(=O)C1CC1([NH3+])CC(=O)[O-],1,GDB ChEMBL
142552,CCCc1c(CC#N)nc(O)nc1OC,1,GDB ChEMBL
316288,C#CCc1c(F)ccc2c1CCN(C=O)C2,1,GDB ChEMBL
41645,CC([NH3+])C1CCC1(C(=O)[O-])C1CN1C,0,GDB ChEMBL
345381,CC[NH+](C)C1CCC(C=O)(C(C)NC=O)C1O,0,GDB ChEMBL
69592,COc1cnn(CC[NH2+]C(C)C(N)=O)n1,0,GDB ChEMBL
140790,C#CC(CCC)C1(C)CC=CC1,0,GDB ChEMBL
377029,CCOc1nc(O)ccc1C1(CC)CC1,1,GDB ChEMBL
17341,C#Cc1ccc(C#C)c(CC2C=CCC2)c1,0,GDB ChEMBL
294787,CC(=O)O[C-](C(N)=O)C(=O)C=O,0,GDB ChEMBL
392514,O=C1NC2CS(=O)(=O)CC2N1,1,GDB ChEMBL
34415,O=COCc1cn(CC2C3C[NH2+]CC32)cn1,0,GDB ChEMBL
289286,C=CC(C=O)OC(CO)CC(=O)[O-],0,GDB ChEMBL
203106,CC(CCc1ccc(Br)cc1)C1=CCCC1,1,GDB ChEMBL
80270,COC(Cn1cnnn1)C(N)C(N)=[NH2+],0,GDB ChEMBL
101882,COCC1CC(N(C)CC[NH3+])C2OC12,0,GDB ChEMBL
191376,NC(=O)c1cc2n(n1)CCC(O)C2[NH3+],0,GDB ChEMBL
206939,CNc1nc(C(C)O)cn1C,1,GDB ChEMBL
385637,CC1=CC(C[NH+](C)C)OCC(CCC[NH3+])C1,0,GDB ChEMBL
236039,C#CC(=O)c1onc(C)c1CN(C)C1CC1,1,GDB ChEMBL
47217,CC(C[NH3+])C1(CN(C)C(N)=[NH2+])C(O)C1O,0,GDB ChEMBL
202000,CCCC1CC(C)=CCC1(C)C(C)C,1,GDB ChEMBL
119267,C#CCOC1CNC(=O)C2OC2(CO)C1O,0,GDB ChEMBL
274370,COc1cc(C)c(N(C)C)cc1C=O,1,GDB ChEMBL
3796,C#CC(C(CC=NO)[NH2+]C)C1C[NH2+]CCO1,0,GDB ChEMBL
353591,N#CC(O)(C(=N)N)C(O)CC(=O)[O-],0,GDB ChEMBL
89112,C#CC(C(O)COC)C1(C(C)C)CC1,0,GDB ChEMBL
273667,C[NH+]1CC=C(C(C#N)N2CCC2)CC1CO,0,GDB ChEMBL
379400,C=CC(CC)C1CC1(C)CCCC,0,GDB ChEMBL
132203,CC1CC(C)(C(C)(C)[NH2+]CCO)CCCC1=O,0,GDB ChEMBL
195191,CNS(=O)(=O)C1(C)CC(=O)NCCCC1O,0,GDB ChEMBL
31028,Cc1cc2cc(CC[NH3+])sc2s1,0,GDB ChEMBL
204788,CC1CCCOC2CCCC2C1,1,GDB ChEMBL
19375,CC(C)C1C2N1CCC2(C)O,0,GDB ChEMBL
339024,C#CC1CC=CCCCC2C=C(C)CC12C,0,GDB ChEMBL
174310,CC(C)(C#N)CC(C#N)CO,1,GDB ChEMBL
296356,O=C1NCCC2C[NH2+]C3C1C23,0,GDB ChEMBL
44659,C#Cc1cnc(C(C[NH3+])C2CC2C)cc1O,0,GDB ChEMBL
340436,CC1CN(Cc2cnn[nH]2)CCO1,1,GDB ChEMBL
255141,C#CCC(=O)S(=O)(=O)N1CCCC1CO,0,GDB ChEMBL
77484,O=CC1=C(CO)C[NH+]2CCC(CCC1=O)C2,0,GDB ChEMBL
80503,CC1=CC2(C=C(C)C=C1)CCCC2C,0,GDB ChEMBL
165271,Cc1cc(C(F)(F)F)nn1C,1,GDB ChEMBL
26882,CC#CC(C)(C)C(=O)NC(C)C(=O)[O-],0,GDB ChEMBL
244513,CC(=O)C(CO)(CO)C(N)=O,1,GDB ChEMBL
267351,CC(COC=O)C([NH3+])CC(O)C[NH+]=C(N)N,0,GDB ChEMBL
214434,CCOCc1oc2cc(Cl)ccc2c1C,1,GDB ChEMBL
280880,COc1ccsc1C#N,1,GDB ChEMBL
101905,Cc1cc(O)ncc(N)nc(C(C)CO)[nH]1,0,GDB ChEMBL
393537,CCCCCc1ccc(CC(C)=O)c(Br)c1Br,1,GDB ChEMBL
258270,CCCOCC1C(O)C(NC(N)=[NH2+])S1(=O)=O,0,GDB ChEMBL
262562,CCC1CC(CC)(CC)C(C)[NH+](C)CC1(C)C,0,GDB ChEMBL
102162,CC1C[NH+]2CCCC3(CCC23)C1,0,GDB ChEMBL
26975,CC(C#N)C1NC2COC1C2,0,GDB ChEMBL
314932,CCCC1(CC)CCC2CC(CC)[NH+](CC)C21,0,GDB ChEMBL
231115,CC1CC([NH3+])(CO)CCCCCC[NH+]1C,0,GDB ChEMBL
330906,N#CC1C=C(C2COC(=O)N2)C(=NO)C1,0,GDB ChEMBL
299194,C#CCC(C)C(C)c1c(I)ccc(C)c1CC,0,GDB ChEMBL
264927,Cc1ncn(CCO)c1C1CC(O)C1,0,GDB ChEMBL
358172,CC1CCCC(C2CC2(C)C)[NH2+]C(CO)C1,0,GDB ChEMBL
305586,C=C(C)C1=CC[NH+](C)CCC(=O)C1,0,GDB ChEMBL
9894,CC1CC(=O)OC2C(CC#N)CC1OC2C,0,GDB ChEMBL
230220,CC1(C)CC(OC(N)=[NH2+])C(=O)N1,0,GDB ChEMBL
287358,C[NH2+]CC1C(OC)C(=O)c2cc(C)oc2C1C,0,GDB ChEMBL
300440,Nc1cc(C[NH3+])cnc1N1CC1,0,GDB ChEMBL
217730,C[NH+]1CCCN=C2NC(C)(C(F)(F)F)CC21,0,GDB ChEMBL
76469,CCC(C[NH3+])CCC1CCCC12C(C)C2[NH3+],0,GDB ChEMBL
176527,CC(O)CNC(=O)Nc1nnsc1N,1,GDB ChEMBL
379154,CCC1CC(C)(C)[NH2+]CCOC(CCO)O1,0,GDB ChEMBL
79479,C#CC1(C#N)CC(C)[NH+](C)C1C(C)(C)C,0,GDB ChEMBL
251008,CC1CCCC2(CC(C)C(C)O2)C(C)C1,0,GDB ChEMBL
277946,CCC1CC=CC2CCCCCCC21,0,GDB ChEMBL
336608,CC(CCOc1nn[n-]c1C#N)C(=O)[O-],0,GDB ChEMBL
397059,CC(C)CC(CC(C)c1ccc[nH]1)OC(C)C,1,GDB ChEMBL
208561,C#CCOCC[NH2+]CCN1C(=O)COC1=NC,0,GDB ChEMBL
801,CC(C)C1C=CN(C(N)=O)C1,0,GDB ChEMBL
168421,Cc1[nH]cc(C2CC2)c1C=O,1,GDB ChEMBL
38485,CC(O)C([NH3+])CNC(=O)Nc1cn[nH]n1,0,GDB ChEMBL
284813,CCC1C=C(C)C(O)C(=O)C=CCC1,1,GDB ChEMBL
355427,COC(C)(C)CNc1ccc(N)cc1Br,1,GDB ChEMBL
82162,CCC(=O)CC1=C(C=O)CN(C)C(C)C1,0,GDB ChEMBL
119405,CCCc1nc(C)c(C#CCC=O)c(=O)o1,1,GDB ChEMBL
245854,CC=CC(=CCCC)CC=CC[NH3+],0,GDB ChEMBL
34842,CC(C)C1CCC(C(C)(C)C(C)([NH3+])CO)CC1,0,GDB ChEMBL
197482,CC(C)C1(C)C=CC=CCCC1,1,GDB ChEMBL
24760,CCOc1c(C)cn2c(O)nc(F)cc12,0,GDB ChEMBL
141986,C[NH+]1CCC#CCCCC1CN,0,GDB ChEMBL
334664,CC#CC1NCC(C#N)CC1CC,0,GDB ChEMBL
304298,CC(N)(C[NH3+])C1COC(=O)c2cc(N)cn21,0,GDB ChEMBL
130380,CC1C([NH3+])C2NC(=O)CC(O)C2N1C,0,GDB ChEMBL
133334,CC(C)CCCC#CC(C)(C)C[NH+](C)C,0,GDB ChEMBL
339118,C#CC(C=O)C1(C)CCCC(C(=O)C[NH2+]C)C1,0,GDB ChEMBL
263179,Nc1cc2nc(ccccn1)S(=O)(=O)C2,0,GDB ChEMBL
398147,[NH3+]C1CC2CC1OC1C[NH2+]CC1=CC(=O)N2,0,GDB ChEMBL
136039,CN=C1OC(=O)C(N)C1[NH+](C)CC1(C)CC1,0,GDB ChEMBL
28955,COC12CC(=O)NCC1CC(O)C2C(N)=O,0,GDB ChEMBL
221387,Cc1ccc(Cl)c(Cl)c1CC#CC(F)(F)F,1,GDB ChEMBL
76511,COCc1nc(C#N)c(C(=O)[O-])s1,1,GDB ChEMBL
18891,CC1Cn2ncnc2NC(=[NH2+])N1,0,GDB ChEMBL
156531,NC1=C(C(=O)OCCCC[NH3+])C[NH2+]C1,0,GDB ChEMBL
174705,CC[NH+]1CC1(CCCC(C)C)CC(C)C,0,GDB ChEMBL
117460,C#CC(=Cc1ccc(I)cc1)CC,1,GDB ChEMBL
337388,CCCCCC(=O)C12CC(C=CCC1C)C2,0,GDB ChEMBL
40378,CC1OCC[NH2+]C2(CC2)C(=NO)C1C(N)=O,0,GDB ChEMBL
193815,C#CC1OCCC1(C)C1CC1,0,GDB ChEMBL
267889,CC1OC(CO)(C(C)(C)C(=O)[O-])C1[NH3+],0,GDB ChEMBL
188132,COCC(OC)C(O)C(C)(C#N)OC,0,GDB ChEMBL
74307,CC1CC(C2(C)CCCOCCC2)C(C)C1C,0,GDB ChEMBL
51834,CC[NH2+]CCN1CC(CC)C(N)(CO)C1C#N,0,GDB ChEMBL
175540,CC1C(C(O)C(=O)[O-])CN2CC12,0,GDB ChEMBL
159679,Cn1c(CO)cc2c(Br)c(Br)ccc21,1,GDB ChEMBL
398178,CCc1nc(CC(N)C[NH3+])no1,0,GDB ChEMBL
209425,[NH3+]C(C(=O)[O-])C1C2COC(O2)C1O,0,GDB ChEMBL
140169,CC12C[NH2+]C(CO)(CO1)C2,0,GDB ChEMBL
127660,CCCC(=O)NC1=NCC(=O)N(C)C(=O)C1N,0,GDB ChEMBL
99792,Cc1cc(OCCC(=O)[O-])n[nH]c1=O,1,GDB ChEMBL
203187,CCC1CN=C(C)OCc2ccc(nc2C)O1,1,GDB ChEMBL
351357,CCCC(C)C(C)C(C)C(C)CC1CC1,0,GDB ChEMBL
165616,C[NH2+]CC1CC2(C(C)C)CC1CC2C(F)(F)F,0,GDB ChEMBL
8713,CC(=O)CNC1(c2c(C)cccc2Cl)CC1,1,GDB ChEMBL
275489,COC1CC(=O)OC2(CC2O)C(C)C1,0,GDB ChEMBL
252895,COC(=O)CC(=O)CC1C(C=NO)CN1C,0,GDB ChEMBL
70068,CCCc1ccn(C2CNC(=O)C2C)c(=O)n1,0,GDB ChEMBL
304420,C#Cc1cc(Cl)c(Cl)c(C)c1CCCC(C)C,1,GDB ChEMBL
205975,CCN(C=O)C1COC(=N)C(C)C1,1,GDB ChEMBL
96099,C#CC(C)(O)CC(C)C(C)CC,1,GDB ChEMBL
139812,CCC1C2c3ccc(O)cc3S(=O)(=O)C1C2O,0,GDB ChEMBL
276066,C#CCC(CC)C1OC(C)C[NH+](C)CC1C#C,0,GDB ChEMBL
235232,Cc1cc(I)c(N)c2c1OCCNC(=[NH2+])CO2,0,GDB ChEMBL
238202,O=C([O-])C1=CCNC(=O)N2CC2C1,0,GDB ChEMBL
357622,CC#CC1[NH2+]CCCCC1CO,0,GDB ChEMBL
352612,C#CC12CC(CC)[NH+](CC)CCC1(C)CO2,0,GDB ChEMBL
43549,C#CC1(CCc2ccc(Br)cc2)CC=CC1,1,GDB ChEMBL
133326,NC(=[NH2+])C1CC12CC(C(=O)[O-])C([NH3+])C2O,0,GDB ChEMBL
25260,CCCC(=O)NC(C(N)=[NH2+])C(C)(C)COC=N,0,GDB ChEMBL
246394,NCC([NH3+])C(O)CC([NH3+])CS(=O)(=O)[O-],0,GDB ChEMBL
179485,C[NH2+]CC1(C2CCCC[NH2+]2)CO1,0,GDB ChEMBL
34860,CC1CNC2(C[NH2+]1)COC(=O)c1conc1C2,0,GDB ChEMBL
299708,CCC(=O)c1nn(C)cc1O,1,GDB ChEMBL
120726,CCN1C(=N)NCC1=O,1,GDB ChEMBL
140858,COC1C(CCO)CC2([NH3+])CC1NC2=O,0,GDB ChEMBL
134750,NC(=O)C([NH3+])C(O)CC1(O)C(N)C1[NH3+],0,GDB ChEMBL
218581,[NH2+]=CN1CC(O)C2CCOC(=O)CNCC2C1,0,GDB ChEMBL
352863,C#CC(CC)C1C(CC)CCCC(C)C1[NH2+]C,0,GDB ChEMBL
185326,CCOC1CC=C(C)C(=O)C1C(N)=[NH2+],0,GDB ChEMBL
197078,NC(=[NH2+])C(OS(N)(=O)=O)C1(CO)CC[NH2+]C1,0,GDB ChEMBL
19669,C#CC(CC(C)C)[NH2+]CCCC,0,GDB ChEMBL
314948,C#CCN1CC(C)(C)N=C1NC(=O)COC,1,GDB ChEMBL
33303,O=C1COC2CC3CC(N1)C21CC31,0,GDB ChEMBL
322831,CC(=N)Nc1ncc(Cl)c(N)n1,1,GDB ChEMBL
396121,[NH3+]CCc1ccc(C2CC2)cc1,1,GDB ChEMBL
51408,CC[NH2+]CCC1(CC)CC2CCC(C)C(C2)C1,0,GDB ChEMBL
87059,CN1C(=O)CC(C(=O)[O-])C([NH3+])CC12CC2O,0,GDB ChEMBL
84902,Cc1noc(C(=O)[CH-]C=O)n1,0,GDB ChEMBL
376694,COc1noc2cc(Cl)cnc12,1,GDB ChEMBL
126363,C[NH2+]C1CCN2CCCOC(C)(C(N)C#N)C12,0,GDB ChEMBL
299739,CCC(C)(C)c1ccc(C)c(C2CC2)c1C,1,GDB ChEMBL
87077,C=CN(CC(=O)OC)C(=O)C(C)C,1,GDB ChEMBL
131868,CCC([NH3+])C(CS(=O)(=O)NCC[NH3+])N1CC1,0,GDB ChEMBL
236721,Nc1cc2ccnc(Cl)c2cc1O,1,GDB ChEMBL
157385,N#CC12CC(=O)OCC(CC1=NO)N2,0,GDB ChEMBL
216137,Cc1cc2c(o1)CC1CCC(=O)C1NC(=O)N2,1,GDB ChEMBL
240431,[NH3+]CCC1(C2CC2)CC[NH+]2CC(C2)O1,0,GDB ChEMBL
223997,CCC(C)C1NC1C(C)(O)C(=O)COC,0,GDB ChEMBL
208252,COC(C)C(O)CC(=O)OCC1CN1,1,GDB ChEMBL
197490,C=C(C=O)CS(=O)(=O)[N-]c1ncns1,0,GDB ChEMBL
48060,CC1=CCC(O)C(C)C(OCC[NH3+])C2CC12,0,GDB ChEMBL
179992,CCc1c(N)nnn1CCO,1,GDB ChEMBL
48531,COC1CC=CC1NC(C=O)CC(N)=[NH2+],0,GDB ChEMBL
202848,CCC1C(C)OC2C=CC1C2C[NH3+],0,GDB ChEMBL
221727,CCC1CC(C)C2CC(C)C(C1)C21CCCC1,0,GDB ChEMBL
316158,COCc1c[nH]cc1[N+](=O)[O-],1,GDB ChEMBL
180791,CCCC1C(C)C(C)CC12CCCCCC2C,0,GDB ChEMBL
156058,CCC(C)(C)C=C1CC([NH3+])C([NH3+])C1,0,GDB ChEMBL
339093,CC12CC(CC1c1ccccc1)C2[NH3+],0,GDB ChEMBL
370328,COC1CN2CC3([NH3+])CC2C(C)C13,0,GDB ChEMBL
225433,CCc1cc(Br)c(C2CCCC2)c(C[NH3+])c1Br,1,GDB ChEMBL
354120,CC(C[NH+]1CC2CCC1C2C)C1CCCCC1,0,GDB ChEMBL
128322,CCC1=CC(=O)NCCOC1=NC,1,GDB ChEMBL
326467,CN1CC(C)([NH3+])C2CC(C1=O)C(C)(CO)O2,0,GDB ChEMBL
33579,CCC(CO)COC(=NC)c1sc(C)nc1O,0,GDB ChEMBL
348840,N=C(NS(=O)(=O)CC(=O)[O-])C1([NH3+])CC1,0,GDB ChEMBL
50998,CC(C1=NC2C([NH3+])CNC2C(=O)N1)C(O)CO,0,GDB ChEMBL
366790,COCCC1NC2C(C(C)=O)C2C1=O,0,GDB ChEMBL
179162,CCCC1([NH+](CC)CC)CC=C(C)C1,0,GDB ChEMBL
299590,CCNS(=O)(=O)C1NC(=O)C2C(C(=O)[O-])C21,0,GDB ChEMBL
177257,CCc1cc(OC(C)C[NH3+])c[nH]c1=O,0,GDB ChEMBL
82196,CC(=N[O-])c1cc(Br)ncc1O,0,GDB ChEMBL
322853,CCC(C=O)C12CC[NH2+]C1CCC2CC(C)C,0,GDB ChEMBL
201167,CC[NH+]1CCC(C)C2CC=CCC(=CC2)C1,0,GDB ChEMBL
362603,CC(C)C1(C)CC2C=C1C=CCCOC2=O,0,GDB ChEMBL
251025,CC=CCC1(C(C#N)CCC)CC1,1,GDB ChEMBL
148906,[NH3+]C1CC(O)C(=O)NCC2CN2C1=O,0,GDB ChEMBL
357609,CCC1=CCC(C)(C)C2C(=O)CN(C)CC12,0,GDB ChEMBL
355334,CC1C=CC2C[NH+]1CCC(O)CC2=NO,0,GDB ChEMBL
26447,CCC(O)(CC(CCOC)COC)C(C)(C)C,1,GDB ChEMBL
142524,CNC(N)=[NH+]CC1CS(=O)(=O)[N-]C1=O,0,GDB ChEMBL
126884,CC(C)C12C=CCCCCC(C1)C2,1,GDB ChEMBL
85842,CC(CC[NH3+])CC1(C)OC(C[NH3+])OC1CO,0,GDB ChEMBL
198632,O=Cc1cc(CO)c(O)nc1O,1,GDB ChEMBL
122918,CC1[NH2+]C2(CC2(C)C)C(C(N)=O)C1O,0,GDB ChEMBL
274960,CC[NH+](C)C(C(N)=O)C1(O)CC(O)C2NC21,0,GDB ChEMBL
1978,CC(=O)c1cc(C=O)c(C#N)c(Br)c1C,1,GDB ChEMBL
263232,CC1(OC2CC2)CC2CC[NH2+]C1C2,0,GDB ChEMBL
129421,CCc1c(C(C)C)[nH]c2c1CCC(C)(C)C2,1,GDB ChEMBL
204544,C[NH2+]CC1NC(=N)C1(OC)C(=O)OC,0,GDB ChEMBL
62529,C#CC1OC1CCC,1,GDB ChEMBL
115000,C[NH+]=C1NC(C)(C2(C)COC2)CCN1C,0,GDB ChEMBL
179341,C[NH2+]CCC1Oc2ccsc2C(C)(CCO)O1,0,GDB ChEMBL
304422,NC(=O)C1OC12C(=O)C1CC2C[NH2+]1,0,GDB ChEMBL
84545,NC(=O)OC(C[NH3+])C(O)CN1CCC1=O,1,GDB ChEMBL
372774,CN1C(=O)CNC(CO)C1C#N,1,GDB ChEMBL
359106,CC1(CCc2ccc3c(c2)CCC=C3)CC1,1,GDB ChEMBL
387067,CCOCCc1cc(Cl)c(C(C)O)c(C)c1C,1,GDB ChEMBL
81461,CC1C2CC(=O)OC1C1[NH2+]CC=C21,0,GDB ChEMBL
127274,NC(=O)C(CCC1NCC1=NO)C(=O)[O-],0,GDB ChEMBL
320289,C#CC(COC)C(C)c1cc[nH]c1C(F)(F)F,0,GDB ChEMBL
215482,CCOc1nc(Br)ccc1CC[NH3+],0,GDB ChEMBL
383027,CCOc1ncccc1Br,1,GDB ChEMBL
91178,C[NH+]=C(COC)N(C)CC(=O)CC(C)OC,1,GDB ChEMBL
216601,NS(=O)(=O)CC1C(CO)C1C(=O)[O-],0,GDB ChEMBL
116074,CCCN1CC(C2CCO2)[NH+]=C1N,0,GDB ChEMBL
205973,C#CCCN(C)C(=O)c1noc(C#C)c1[O-],0,GDB ChEMBL
49113,CCC(C)([NH3+])CCC1C=CCCC1C,0,GDB ChEMBL
305191,NC1CC(C(=O)[O-])Nc2onc([O-])c21,0,GDB ChEMBL
38487,CC1CCC(N)=[NH+]c2cc(F)cnc2CC1O,0,GDB ChEMBL
24518,CCC12C(=O)NCC3OCC1([NH3+])C32,0,GDB ChEMBL
175848,NC(=O)NC1(C(=O)C(N)=O)CC1CCO,0,GDB ChEMBL
372168,NC(=[NH2+])OCC1=NC(C(=O)[O-])CN1,0,GDB ChEMBL
143198,CCOC(N)=[NH+]CC(C(N)C#N)C(O)C(C)O,0,GDB ChEMBL
121508,CC1(C)C=CCC(c2cccnc2Cl)[NH2+]1,0,GDB ChEMBL
42236,CS(=O)(=O)C1CC2NC(=[NH2+])OC2C1O,0,GDB ChEMBL
129588,CC#CCC1CCC2(CC2CO)C(=O)NC1,0,GDB ChEMBL
252587,CC1C2NC(=O)C([NH3+])C(CO)C12,0,GDB ChEMBL
133138,CCC(O)CC(CO)CC=O,1,GDB ChEMBL
258235,C#CC(C#C)[NH+](CC)C1CC1,0,GDB ChEMBL
337145,CNS(=O)(=O)C(OC(N)=O)C1CC[NH2+]C1,0,GDB ChEMBL
35433,CCC1CC[NH2+]C1C#CCC(F)(F)F,0,GDB ChEMBL
383961,CC(C)C1(C#N)CC(=O)OC1=N,0,GDB ChEMBL
124838,CS(=O)(=O)CCC1C(CO)C1NC=O,0,GDB ChEMBL
168441,[NH3+]C1(c2cc3c(F)cccn3c2)CC1,0,GDB ChEMBL
76404,C#CCCCC(C)C1C=CCC(C)C1,0,GDB ChEMBL
31098,CCOC(=O)NC1CC1O,1,GDB ChEMBL
5260,C#CCC[NH+](C)C1C=C(CC)C(C)C1,0,GDB ChEMBL
48122,CC=CC(C)(C)C(=O)C(CC)OC,1,GDB ChEMBL
240377,CNCc1c(S(=O)(=O)CC(C)C)n[nH]c1[O-],0,GDB ChEMBL
103890,CS(=O)(=O)N1C2C3OC(=O)C(OC3=O)C21,0,GDB ChEMBL
341197,CC(C)C1CCN2CC2CC[NH2+]1,0,GDB ChEMBL
310321,CCC(CO)OCC(C)(C)C,1,GDB ChEMBL
135794,NC(=O)C1(O)C2CCC1COC2,1,GDB ChEMBL
108707,C#CC(=N)N1c2c(ccc(F)c2C)CCC1C,0,GDB ChEMBL
259549,CC([NH3+])CC1CCC(C[NH3+])C1O,0,GDB ChEMBL
132506,C#CC1(C[NH3+])CN(C)CC1NC(N)=[NH2+],0,GDB ChEMBL
397968,C[NH2+]C1C(NC(N)=O)C1(O)C(=O)OC,0,GDB ChEMBL
4857,CN(C=O)[C-](C=O)C(=O)C(=O)[O-],0,GDB ChEMBL
209434,N#CC(C=O)NCc1c[nH]nc1C=O,1,GDB ChEMBL
391683,O=C1NCC2(C(=O)[O-])C(CCO)N12,0,GDB ChEMBL
247178,COCC12NCC3NC(=O)C1C32C#N,0,GDB ChEMBL
322876,COCC1CC[NH+]=C(N)C1(O)C([NH3+])CC(=O)[O-],0,GDB ChEMBL
284689,N#CC1CC=CC2C(O)C(=O)OCC12,0,GDB ChEMBL
284856,CCC(CC)Cc1cnc(Cl)cn1,1,GDB ChEMBL
50247,O=Cc1cc(O)c(C(O)CO)cn1,1,GDB ChEMBL
184229,C#CC1CCCCC2CCC[NH+]12,0,GDB ChEMBL
20778,C#CC1[NH2+]CC(C)(C)CCCCC1(C)O,0,GDB ChEMBL
67336,C#CCCn1c(NC)c[nH]c[nH+]c(C)cc1=O,0,GDB ChEMBL
33261,O=C1C=CCCCC#Cc2nonc2N1,1,GDB ChEMBL
162520,C[NH2+]CC1(C(C)C)CCC(NC(C)=[NH2+])C1C[NH3+],0,GDB ChEMBL
169097,CNc1cc(O)cc(C2=NC(C=O)C(C)N2)c1,1,GDB ChEMBL
10583,C[NH2+]CC(N)(CN)CNC(=O)C(C)(C)OC,0,GDB ChEMBL
39716,CC[NH+](C)C(CC[NH3+])C1CN2CC([NH3+])(C1)C2,0,GDB ChEMBL
181639,COCCC1=CC(C)([NH+](C)C)C(C)(O)C1,0,GDB ChEMBL
294742,CC12C(CO)CCCC1C([NH3+])CNC2C#N,0,GDB ChEMBL
288156,CC1CC(CC(O)C#N)OCC(=O)O1,1,GDB ChEMBL
201078,CCNC1(C[NH3+])CCOC(=O)[N-]C(=O)C1C#N,0,GDB ChEMBL
296656,C[NH2+]CC1CC=CC2CC(CC=CC2O)[NH2+]1,0,GDB ChEMBL
109178,CC1CCC2CCCCC3CC3CCC1C2,0,GDB ChEMBL
355125,CCC(CCO)CC1=CCCC1CC,0,GDB ChEMBL
23569,COC1CC2CCC=CN2C(=O)C1C,0,GDB ChEMBL
339073,CCC1CCC2(CC2)OCC(C)[NH+](CC)C1,0,GDB ChEMBL
149308,CC(OCC1CC1O)C(=O)[O-],1,GDB ChEMBL
189998,CC(O)C(O)C(O)C1CC(C[NH3+])N1,0,GDB ChEMBL
68613,CCCC1(C)C2C=CC1C(C)(CC)C2(C)C,0,GDB ChEMBL
76487,CC1NCC2OC1C([NH3+])CC2CO,0,GDB ChEMBL
9968,CN1C=[NH+]C(C(N)CCO)C1,0,GDB ChEMBL
41054,CNC(=O)C1C2CS(=O)(=O)NC21C(=O)[O-],0,GDB ChEMBL
161796,CC(=O)OC1CC2C[NH2+]C3C24NC(=O)OC134,0,GDB ChEMBL
61500,C#CC(C)C1CC1C(C)CCCCC,0,GDB ChEMBL
11204,NC(=O)OCC1OC(=O)C(O)CC(O)CC1O,1,GDB ChEMBL
351325,CCCC(CCCCC(C)C)C(C)C(C)(C)C,0,GDB ChEMBL
45079,C#CC1COC(=O)N1CCC,1,GDB ChEMBL
196509,CCCC1C(C(=O)C(O)C(C)CC)CC[NH+]1C,0,GDB ChEMBL
133189,COCC(C=O)C[NH2+]CC(C)=O,0,GDB ChEMBL
186716,N#CC(CC1Cn2cccc2C(=[NH2+])N1)C(=O)[O-],0,GDB ChEMBL
255360,CCCCc1cc2c[nH]c(N)c2c(Br)c1O,0,GDB ChEMBL
176458,CC1(O)CNC(=O)NC(=N)C1,0,GDB ChEMBL
129566,CC1C(CCCO)C1(N)C#N,0,GDB ChEMBL
136140,N=C1NC(CO)C(O)CC1=O,0,GDB ChEMBL
218807,COC1(C=O)CN(C)CC(O)C1O,0,GDB ChEMBL
334750,C[NH2+]CCC1CCC(=O)C2CC1C1CCC2O1,0,GDB ChEMBL
240421,C#CCN1CCCCCC1=[NH+]C,0,GDB ChEMBL
263535,CCC1CC(=O)C(O)C(C(C)(C#N)C=O)C[NH2+]1,0,GDB ChEMBL
365717,CCCC(=[NH2+])NCC(O)C1CCNS1(=O)=O,0,GDB ChEMBL
288694,CNC1C2CC(N)C1(C#N)C(=O)O2,0,GDB ChEMBL
132522,Nc1ccc(O)c(OCC[NH3+])c1,0,GDB ChEMBL
294792,CN1CC(C(N)=O)C2(OCOC2CCO)C1=O,0,GDB ChEMBL
89636,O=C([O-])CC1C2COC1C(=O)N2,0,GDB ChEMBL
185266,CC12CN1CC1=C2C(=O)NCCCCC1O,0,GDB ChEMBL
319780,CC12C[NH2+]CC1NC(=O)C2C[NH3+],0,GDB ChEMBL
248676,CCCCCC1(C)CC12CC1CCCC2C1,0,GDB ChEMBL
309832,OCCC1CN1c1cccc(F)n1,1,GDB ChEMBL
310770,COC1CC2CC(C)CC(C)C2C1,1,GDB ChEMBL
214889,CN1CCCC2CC([NH+]=C1N)C2O,0,GDB ChEMBL
280699,C#Cc1c(F)c(OC)cc2c1CCN2,1,GDB ChEMBL
298219,CCCC(C)(c1cc(C)cc(Br)c1O)C(C)C,0,GDB ChEMBL
393509,OC1CC2C3CCCC4(C[NH+]2C4)C13,0,GDB ChEMBL
17469,[NH3+]CC1C=CC2(CC2)Cc2c(Br)cccc21,0,GDB ChEMBL
195216,CC1C[NH2+]C2CCC=C2CC[NH+]1C,0,GDB ChEMBL
127515,C[NH+]1CC2(CC3CC(CCC[NH3+])C2C3)C1,0,GDB ChEMBL
195451,CC1C[NH2+]C2C1C21CC(=O)NC(=O)O1,0,GDB ChEMBL
217161,CCCOC1(C)CC([NH3+])C(C)C1C,0,GDB ChEMBL
162537,NC(=[NH2+])NCC(=O)c1cnc(O)nn1,1,GDB ChEMBL
287343,CC1CCC2CCCCCC(C1)C2,0,GDB ChEMBL
62576,CC1CC(N2CC(C#N)C2)C(C)(CO)[NH2+]1,0,GDB ChEMBL
126922,CC[NH+](C)C(C)Cc1ccn(CC(F)(F)F)c1,0,GDB ChEMBL
334435,C[NH+]=C(N)Nc1ncc(F)c(CO)c1N,0,GDB ChEMBL
79600,CCCC1CCCCC1C=O,1,GDB ChEMBL
80289,CCOC1CC[NH2+]CCO1,0,GDB ChEMBL
124551,CN1CC1C(O)C(=O)NC(=N)N,1,GDB ChEMBL
280433,CCC1(C)CC2CC[NH2+]C2C1C1CO1,0,GDB ChEMBL
338535,NC1C(C(=O)[O-])[NH2+]C(C(O)C(=O)[O-])C1N,0,GDB ChEMBL
252569,C#CC1(CC#N)C[NH2+]CCC(CO)C(CC)C1,0,GDB ChEMBL
138348,Cc1cc(Cl)cc2c1C1(CCCC1)C[NH2+]C2C,0,GDB ChEMBL
376003,CCC1C(=[NH+]C)NCC(CCCOC)C1(C)[NH3+],0,GDB ChEMBL
84524,C#CC1CC2C(CC)C[NH2+]C2CN1,0,GDB ChEMBL
186615,Nc1cncc2cccnc12,1,GDB ChEMBL
195205,CC(C#CC(C)c1ncccc1Cl)C=O,0,GDB ChEMBL
112422,N#CCC1C(C2CO2)NC(C(N)=O)CS1(=O)=O,0,GDB ChEMBL
245499,C#CCC(CC(N)C[NH3+])[NH2+]CC(=O)N(C)C,0,GDB ChEMBL
391308,COCC(O)CC(C)C[NH2+]C(C)CCC#N,0,GDB ChEMBL
223252,CC(C#N)(CCC(=O)[O-])NC=[NH2+],0,GDB ChEMBL
38732,OCCC(O)c1cc[nH]c1,1,GDB ChEMBL
142899,C=CC1(CO)OC(C)C(CC)C1C,0,GDB ChEMBL
263237,C#CCCc1ccc(Cl)c(N(C)C(C)CC)c1,1,GDB ChEMBL
377942,CCOCC([NH3+])CN(CC)C(C)C#N,0,GDB ChEMBL
169442,C#CCCC(C)(C)CN(C)C(=O)C#C,1,GDB ChEMBL
54109,CC(C)NCC[NH2+]C(C)C,1,GDB ChEMBL
111605,CCCC(C)C(C)c1c(Br)ccc(CC)c1Br,1,GDB ChEMBL
393916,C[NH2+]C1C(C=O)C(C)N(C)C1C,0,GDB ChEMBL
394361,C=C1CC(CC(=O)OC(C)(C)C)C1,1,GDB ChEMBL
88165,C[NH2+]C(COCC=O)C(CO)OC(N)=O,0,GDB ChEMBL
325276,CCCC1C=CC[NH+](CC)CC#CC1,0,GDB ChEMBL
355177,C#CC1[NH2+]CC1C(C)C(O)CC=C,0,GDB ChEMBL
299774,CNC(C=O)C(CC(CO)C(C)=O)=NO,0,GDB ChEMBL
173913,N#CC1NCCNC=C1C(=O)[O-],0,GDB ChEMBL
146076,CC1=CCC[NH+](C)Cc2[nH]cc(c2C)C1,0,GDB ChEMBL
43558,CCCC1C2CC(C)(C2)C[NH+]1C,0,GDB ChEMBL
177182,CS(=O)(=O)NC(C(=O)[O-])C1(O)CC1,0,GDB ChEMBL
92900,C[NH+]1C2C=CCCC=CC1CC2,0,GDB ChEMBL
243950,CC#Cc1cnc(N)c2nn(CC)c(=O)n12,1,GDB ChEMBL
237989,CC[NH+]1CC(N)C2C1C(O)C(C[NH3+])N2CCO,0,GDB ChEMBL
253582,CCC[NH+](C)CC1NC=[NH+]C1C,0,GDB ChEMBL
63108,CC1COC(CNCCO)=N1,1,GDB ChEMBL
337115,CN1C(CC#N)C1C(O)C(=O)[O-],0,GDB ChEMBL
391790,C#CC1CC[NH2+]CC(CO)CC1C(CC)CC,0,GDB ChEMBL
227576,C#CCCC1(C)CC2CCCCC1(CCC)C2,0,GDB ChEMBL
119874,CNC(=O)CC12CCC(C(=O)O1)C(=O)O2,1,GDB ChEMBL
337429,CC(C)(O)CCC1=CC(O)C(O)C1(C)C=O,0,GDB ChEMBL
174894,CC(CO)C1([NH3+])CS(=O)(=O)N2C(C(=O)[O-])C21,0,GDB ChEMBL
195521,CN=C(N)NC(=O)c1cnsn1,1,GDB ChEMBL
183470,C1=CCCCC([NH+]2CC2)CCC=C1,0,GDB ChEMBL
379188,N#CC(C(N)C(=O)[O-])C1NC=[NH+]C1C(O)CO,0,GDB ChEMBL
281986,C#CCC[NH+]1CC(CCNC(N)=O)C1,0,GDB ChEMBL
317325,CCC1C(C2CCCC2)C[NH+]2CCCC12C,0,GDB ChEMBL
61316,CC1CC(C)(C)C1c1ccc(C#N)cc1,1,GDB ChEMBL
21713,CC([NH3+])C#CC[NH2+]C1CCC1,0,GDB ChEMBL
330523,CC12CC(CO)(CCC[NH3+])OC1C2[NH3+],0,GDB ChEMBL
337186,N=C1CC[NH+]=C(N)NCCO1,0,GDB ChEMBL
332358,[NH3+]C1C(CO)OC(=O)C2CC(O)C1N2,0,GDB ChEMBL
330372,CCCCCC(C[NH3+])OC(=O)n1nnc(N)n1,0,GDB ChEMBL
293790,CCC(Oc1cnc(N)c(N)c1Br)C1CC1,1,GDB ChEMBL
347922,CCC1[NH2+]C(C)C2(CC2)C(CO)C1C,0,GDB ChEMBL
48473,CCc1c(C)c(F)c(C[NH2+]C)c(C)c1N,0,GDB ChEMBL
386640,N#CCCN1CCCC2CC21,1,GDB ChEMBL
41170,CC(=O)N1CC(C)(C)C1C,1,GDB ChEMBL
99611,CCC(C=O)OC(C(=O)[O-])C(=O)NC,0,GDB ChEMBL
255148,CCCCC1C(C)CCC(C)C2C=CCC21,0,GDB ChEMBL
289845,CN=C1OCCNC1(CC(C)(C)C[NH3+])C(=O)[O-],0,GDB ChEMBL
235542,CC1(C)CC=CCOC(C[NH3+])C1,0,GDB ChEMBL
348626,C#CC1(C)C(C(C)[NH3+])CC(C)C(OC)C[NH+]1C,0,GDB ChEMBL
398734,CCN1C(=O)CC(C)(C(O)CCOC)OC1=O,0,GDB ChEMBL
225398,Cc1c(I)ccc(I)c1CC[NH2+]CC1CC1,0,GDB ChEMBL
131619,C#CCCCCC=CCC(C)=CC,1,GDB ChEMBL
208281,CCCC(C)C(C)C1=CC[NH2+]C1,0,GDB ChEMBL
382615,CC1(CS(C)(=O)=O)CN1C=[NH+]CCC(N)=O,0,GDB ChEMBL
177862,CCOC(=NCC[NH3+])NC=NCC(CC)[NH2+]C,0,GDB ChEMBL
304458,C=CCCC([NH3+])C1(N)CNC(=O)C1,0,GDB ChEMBL
389386,CCC1(CCOC)CCC=CC1(C)C,0,GDB ChEMBL
152619,CC12C[NH2+]CC3NC(=O)CC3C1O2,0,GDB ChEMBL
29616,O=C1NC2C3CC(C3)C2N1,0,GDB ChEMBL
273813,NC(=[NH2+])NCCc1nc(N)cs1,0,GDB ChEMBL
330752,CC1CC(C)OC2COC(C(=O)N(C)C1)C2C,1,GDB ChEMBL
161916,CC(=O)OC1(C)CC(C)CCCC12NC2C,0,GDB ChEMBL
120523,CC(O)C1C2C=C(C#N)C1(C)C(=O)CC2,0,GDB ChEMBL
126592,O=C(CO)C1NCC12CCCCS(=O)(=O)C2,0,GDB ChEMBL
388271,Cc1nc(C(C)(C)C)c(C[NH3+])c(I)c1CC#N,0,GDB ChEMBL
210978,CCCC(C#N)C1CC1C=O,1,GDB ChEMBL
50256,CCCC1CC(=O)OCC(C)(C[NH3+])C1C,0,GDB ChEMBL
26007,C#Cc1cc2c(cc1O)C=CCCC2,1,GDB ChEMBL
1930,C#CC(CCC)C(OCC)C(=O)[O-],0,GDB ChEMBL
338948,CNc1[nH]c2c([nH+]1)CC(=O)NC(C=O)C2,0,GDB ChEMBL
281838,NC1CCOCC2C(O)C[NH2+]C12,0,GDB ChEMBL
299155,Cc1c(F)ccc2c1C(C)CC1C(C)C21,0,GDB ChEMBL
18854,CC1CC2CC(C2)OC1=O,1,GDB ChEMBL
133969,CC1C(S(C)(=O)=O)COC(=O)N1C(=N)N,1,GDB ChEMBL
58957,C#Cc1ccc(C)c(C2CCCC2)c1CCC,1,GDB ChEMBL
148880,Cc1ncc(N)c(C2CC2)n1,1,GDB ChEMBL
19408,CC1(O)C(=O)C2NS(=O)(=O)C3C2C31CC(=O)[O-],0,GDB ChEMBL
34720,O=CCn1cccc1C1CC1,1,GDB ChEMBL
228440,[NH3+]CC(O)CC1C(=O)NC2C1NS2(=O)=O,0,GDB ChEMBL
87109,CCC(CC(C)C)CC1CCC2(C1)CC2[NH3+],0,GDB ChEMBL
203286,C#CC1CCC(C)CC(C)(CCC)C1,0,GDB ChEMBL
135439,O=C1CC(n2cncn2)C(O)(C(=O)[O-])C1CO,0,GDB ChEMBL
232063,CCCC12C(COC1(C)OC)CC(C[NH3+])C2O,0,GDB ChEMBL
174021,CC#CC1[NH+](C)CC=CC12CC2,0,GDB ChEMBL
6827,CC(C)C(O)C(C)CC1CNC1(C)C#N,0,GDB ChEMBL
61535,CCCCc1cnc(Cl)c(CO)c1COC,1,GDB ChEMBL
167320,COC(=[NH2+])NC1C=C(C)C(O)(CO)CC1,0,GDB ChEMBL
196752,CC1[NH2+]C(C)C2CC2COC(C)C1O,0,GDB ChEMBL
275590,C1CC[NH+](C2C3CCC2C2CC3C3CC32)C1,0,GDB ChEMBL
68491,CCC(O)C(C)NC(=NC)C(=O)OC,1,GDB ChEMBL
58925,C#CCCC(=[NH2+])N(CC#N)CC=C,0,GDB ChEMBL
190285,COCC(C(CO)C(C)O)S(N)(=O)=O,0,GDB ChEMBL
244518,COC(C)CC[NH2+]CCOC=O,1,GDB ChEMBL
281812,COC(C)C[NH2+]C(C)C=O,1,GDB ChEMBL
350940,NC(=O)C1CC(CC2CC2)C2CCC12,0,GDB ChEMBL
252669,CC=CCCCCC1(C2CC2)CC1,1,GDB ChEMBL
216185,CC(NCC1CC[NH2+]C1)C(=O)C#N,1,GDB ChEMBL
80319,CCC1CC=CC2C3CCCCC(CC3)C12,0,GDB ChEMBL
310762,CCN1CC2CC(CN2C)C1=[NH2+],0,GDB ChEMBL
39671,[NH3+]C1CCC2CCC3(COC1C3)C2,0,GDB ChEMBL
277676,CCCC12[NH2+]CC(O)CC1(C)CC([NH3+])C2C,0,GDB ChEMBL
11220,CCCC12NC1S(=O)(=O)N(C)C2C(=O)[O-],0,GDB ChEMBL
382121,CC1=CCC2=CCCCC(CCCC1)[NH2+]C2,0,GDB ChEMBL
310804,CCC1OC2C(C)=CC1C(C)(O)CC2[NH3+],0,GDB ChEMBL
275500,COCc1ncc(N2CC=CC2)c(Cl)c1C,1,GDB ChEMBL
70791,C#CC1COC(C)C(OC)C1,1,GDB ChEMBL
382616,Cc1cc2cc(C(C)C)ccc2cc1I,1,GDB ChEMBL
247612,CCC(C1CC1)C1C(C)CCCC1(C)C,0,GDB ChEMBL
390518,NC(=[NH2+])C1CC(CS(N)(=O)=O)C(O)C1N,0,GDB ChEMBL
239338,CC(C)(CO)C[NH2+]C1CC1N,0,GDB ChEMBL
35736,Nc1cc(O)cc(OCCNc2cn[nH]n2)c1,1,GDB ChEMBL
97771,C#CC1([NH3+])C2CC(C#N)C(CC(=O)N2)C1CC,0,GDB ChEMBL
104922,CC(C(N)C(N)=O)C1(CO)CCCC[NH2+]1,0,GDB ChEMBL
53878,C#CCCC(C)(C)CC(C)C,1,GDB ChEMBL
112368,C1COCC2C[NH+]=C(N1)N2,0,GDB ChEMBL
39709,CCC1C2CC(C)CCC1(C)C(C)C2,0,GDB ChEMBL
214757,CC1CCC2(C1)CC2C[NH3+],0,GDB ChEMBL
259681,CCCCC(C#N)C1Oc2nccn2C1C,1,GDB ChEMBL
147571,CC1CCC(C)(O)C[NH+](C)CC(O)C[NH2+]1,0,GDB ChEMBL
223274,C[NH2+]CC(C(O)C#N)C(O)C(N)=O,0,GDB ChEMBL
83108,COc1cc(=N)[nH]c2c1OC(=O)CC2N,0,GDB ChEMBL
284321,C[NH2+]C(CC(N)C(N)=O)C(O)C(N)C#N,0,GDB ChEMBL
277071,C[NH2+]C1C(N)C(C(=O)[O-])NCC2OC21,0,GDB ChEMBL
313311,CC(O)C1CC(=NO)C(C(=O)NC=O)C[NH2+]1,0,GDB ChEMBL
6028,C#CCCCC(C)CCc1c(C)cccc1Br,1,GDB ChEMBL
334774,CCC1[NH2+]C(C)C2(C)C(CCC[NH3+])C12,0,GDB ChEMBL
11003,CC1C[NH+](C)CCNC2COCC2(C(C)O)N1,0,GDB ChEMBL
95884,C=Cc1cc(O)c(C#CC)cc1Cl,1,GDB ChEMBL
228361,CCOCCC(=O)c1sc(C(=N)N)nc1C,1,GDB ChEMBL
28331,COCC1(O)CCC12C[NH2+]C2,0,GDB ChEMBL
280667,C#CCC(C(C)CC)C(C)(C)C1(C)CC1,0,GDB ChEMBL
32056,CCC1(CC2CC2C)C[NH2+]C1,0,GDB ChEMBL
7789,CC1C2NC(=O)C3CC2C[NH2+]C31,0,GDB ChEMBL
6836,O=Cc1nc(Cl)cc2c1C(O)CC=C2,1,GDB ChEMBL
314967,CC(=O)C1CC1NC(=[NH2+])c1ccsc1,0,GDB ChEMBL
188463,COC1CCN(C(=O)OC(CO)C(=O)[O-])C1=O,0,GDB ChEMBL
115144,CCC1CCCC2CC(CC)(CC)C(C1)C2C,0,GDB ChEMBL
230718,COC1C(C(C)C#N)=CC(C)C1CO,0,GDB ChEMBL
352861,CCCC1CCCC2CCC2C1,1,GDB ChEMBL
94669,COCC1C(C)CC([NH3+])C2C=CCC21,0,GDB ChEMBL
274879,C=CC[NH+](CC(C)C)C1CC1CC,0,GDB ChEMBL
185933,CC1CC(C)(C=O)C(=O)NC1(C)C,0,GDB ChEMBL
38587,NC(=[NH2+])NC(=O)NCCc1cscn1,0,GDB ChEMBL
112601,CC1=C2CCCC(CCCCCC(C)C2)C1,0,GDB ChEMBL
29651,COC(C#CC(C)C)C[NH+](C)C(C)C,0,GDB ChEMBL
358431,C[NH2+]C12C3CC(C(=O)[O-])C1NS(=O)(=O)C32,0,GDB ChEMBL
65634,NC(=O)C12COC(CC([NH3+])C1)C(=O)O2,0,GDB ChEMBL
292573,CC1C(CO)C12CC(N)C[NH2+]2,0,GDB ChEMBL
231098,COC1C(C)=CCCC[NH+]=C(N)C1C,0,GDB ChEMBL
118457,CCN1CC2(O)CC([NH3+])C1C2O,0,GDB ChEMBL
133190,CC#CCc1cccc(Br)c1C,1,GDB ChEMBL
274358,COCC(=O)C(=O)C=CCC(C)C,1,GDB ChEMBL
386602,CCC(C)C1C(=O)C(C)(C)C(CC)CC1CC,0,GDB ChEMBL
92342,CCC([NH2+]C)C1C(C(C)C)=CCC1(C)O,0,GDB ChEMBL
348435,C#CC1(O)CC(C)C2CCC=CC21,1,GDB ChEMBL
303325,CC1C(C[NH3+])C(CO)NC2C(=O)OC21,0,GDB ChEMBL
396721,C#CCc1c(Cl)cccc1C(C#C)OCCC,1,GDB ChEMBL
131642,CC(=NO)c1c([O-])c(C(N)=[NH2+])coc1=O,0,GDB ChEMBL
215699,CC(=O)C=C(C)NC(=O)N(C)C=O,1,GDB ChEMBL
278856,C#CCC(O)C12C[NH2+]C(C1)C(N)C(=O)O2,0,GDB ChEMBL
308206,CC1=C(CC[NH3+])C[NH+](C(C)CCO)CC=C1,0,GDB ChEMBL
48518,CCN=CNC(=N)OCC(C)C[NH3+],0,GDB ChEMBL
239982,Cc1cc(I)ccc1CC(OC=O)C(F)(F)F,1,GDB ChEMBL
62115,C#CC[NH+]1CC(C[NH3+])C2(COC2)C1C,0,GDB ChEMBL
278872,CCC1C2C(=O)[N-]C1(C#N)C(C)(O)C2C(C)O,0,GDB ChEMBL
34862,CNC(=O)C(C)OC(C=O)=NCC(=O)[O-],0,GDB ChEMBL
136134,CCC1CC2C(NC(C)=O)C2O1,0,GDB ChEMBL
320459,CCCC(C)(C)C1=CCCC(C)CC1,1,GDB ChEMBL
249552,CC1[NH2+]CCC(=O)C12C=CC(C#N)C2,0,GDB ChEMBL
352177,CC(C[NH3+])CCCC1CC(C)C(C)CC(C)O1,0,GDB ChEMBL
53261,C=C1C2C(C=O)C1(CCC)C[NH+]2C,0,GDB ChEMBL
40011,CCOCC1(C)C(CC=O)C1C(C)CC,0,GDB ChEMBL
236527,CCCN(C(N)=[NH2+])C(=[NH2+])C1C(N)C1(C)C#N,0,GDB ChEMBL
284272,C#CC(C#C)(C[NH3+])Cc1c(C)cn(C)c1CC,0,GDB ChEMBL
129553,C[NH+]=C(N)Oc1ccc(C(C)C)cc1C,0,GDB ChEMBL
20504,Cc1ccccc1C1C2CC=CC21C,0,GDB ChEMBL
41107,CC1(O)C(=O)C2C3OC3C1N2CCO,0,GDB ChEMBL
45012,C[NH+]=C(N)NC(=N)N1CCNC1=O,0,GDB ChEMBL
225811,CC(C)C1CCCC12C(C)C2C[NH+](C)C,0,GDB ChEMBL
362374,Cn1cnc2c(C(N)=O)c(CO)c(O)nc21,0,GDB ChEMBL
212128,C#CC([NH3+])COC,1,GDB ChEMBL
118709,C=C(CC)C(CC)C1CCCC1C,1,GDB ChEMBL
43543,CS(=O)(=O)[N-]C(=O)C1C2CC(N)C([NH2+]2)C1O,0,GDB ChEMBL
157094,CC1=CCC2CNC(=O)C2C1,1,GDB ChEMBL
325277,CC(O)C(O)C([NH3+])C(O)C1(C(=O)[O-])CO1,0,GDB ChEMBL
12855,CCC1C(C[NH2+]C)C(O)C2C[NH+](C)C21,0,GDB ChEMBL
382112,CNC(N)=[NH+]CC(O)c1nccs1,0,GDB ChEMBL
215667,CC#CCCCC1CC2[NH2+]C2C1,0,GDB ChEMBL
50288,N=c1[nH]c2c(s1)CC(C(=O)[O-])[NH2+]C2,0,GDB ChEMBL
118384,CCCC(CC)[NH+]1CC(C(N)=[NH2+])C1,0,GDB ChEMBL
79539,C[NH2+]C1C2CC(C)(CC1C(C)[NH3+])NC2=O,0,GDB ChEMBL
2136,NC(=O)CN1C2CC(C2[NH3+])C1CO,0,GDB ChEMBL
75463,C#Cc1c(NC)cc(CCO)c2c1OCC2,1,GDB ChEMBL
391622,CCC[NH2+]C1CN(C)C2C=CC3(CC)C1C23,0,GDB ChEMBL
223533,COC1CNC(C(C)(CO)OC)C(C)NC1=O,0,GDB ChEMBL
153208,CC1CC(C)(C)C2C3CC(C)[NH+](C3)C12,0,GDB ChEMBL
30342,C#CC(=O)C1(C(CC)OC)C[NH2+]C1,0,GDB ChEMBL
132192,CC1CC(C2(C)OCCC2O)[NH2+]CCC1=O,0,GDB ChEMBL
61486,Nc1ccc2c(N3CCC3)noc2c1Cl,1,GDB ChEMBL
219531,CCOCC1C(C#N)C1(CO)CS(C)(=O)=O,0,GDB ChEMBL
358635,CC1(C)C2C(O)C3[NH2+]CCCC2C31,0,GDB ChEMBL
325218,O=C([O-])C12C=CC([NH2+]1)C(O)C2,0,GDB ChEMBL
305493,CC[NH2+]C1CC(C)(O)C2C(OS(N)(=O)=O)C12,0,GDB ChEMBL
78331,C[NH+]1CCCC(NC2CC[NH2+]C2)C1,0,GDB ChEMBL
266499,C#Cc1cc2c(cc1F)C1CC2C1C,1,GDB ChEMBL
188072,CCCN(C=O)C(=N)CC=O,1,GDB ChEMBL
337989,CC[NH+]1C2CC2CC(C)(C)C1C(C)C,0,GDB ChEMBL
334375,CC[NH2+]C1CCCC2C3CC3C([NH3+])C12,0,GDB ChEMBL
234400,CC1CCCCC(C)C2C1C(C)CC2(C)C,0,GDB ChEMBL
277843,COC1(C)C2C[NH+]3CCC(C)(C2)C31,0,GDB ChEMBL
277947,C=CN(C(N)=[NH2+])C(C)C(CO)[NH2+]C,0,GDB ChEMBL
28354,CC1CN2C(C[NH3+])C2CO1,0,GDB ChEMBL
12775,CNC(=O)C1CC(C)C(C)(O)CC2CN21,0,GDB ChEMBL
351354,CCCC1C(=N)OCC1NC(N)=[NH2+],0,GDB ChEMBL
290107,C#CC1C2CC(C)N1c1cncc(F)c12,0,GDB ChEMBL
131666,O=C1CC2COC3CC2(CN1)C3,0,GDB ChEMBL
321400,CCC1CCCCC2[NH2+]CC3C(C)C23CC1,0,GDB ChEMBL
157376,C#CCC1OCC(C)N(C=O)CC(O)C1CO,0,GDB ChEMBL
292244,CC1C2NC(=O)NC2C(=O)[N-]S1(=O)=O,0,GDB ChEMBL
217069,O=S(=O)([O-])CCN1CC2CC(C1)[NH2+]2,0,GDB ChEMBL
305506,CC1CC2(C[NH2+]C2C(=O)[O-])C(=O)N1C(=N)N,0,GDB ChEMBL
286867,O=CC1C2OCC12CC(=O)[O-],0,GDB ChEMBL
339244,CC1CCCC2C[NH2+]C1COC1CCCC21C,0,GDB ChEMBL
339029,C=CC1C2CCCC(CC2)C1C=C,1,GDB ChEMBL
37159,CC(C)(C)CC1C=CC=CCC(O)C=C1,0,GDB ChEMBL
73812,CCC(c1ccc(C)o1)C(CNC=O)C(C)C,0,GDB ChEMBL
251451,O=C([O-])C(Nc1cc[nH]n1)C1CN1,0,GDB ChEMBL
44078,CCC(CO)C1Cn2c(N)nc(O)c2C(=O)O1,0,GDB ChEMBL
66744,CCC12CCC3CC1C(C)C(C2)[NH2+]3,0,GDB ChEMBL
13785,CCC1CC2CC=CCC2C[NH+]1C,0,GDB ChEMBL
200729,COCC(CC#N)n1nnc(N)nc1=O,0,GDB ChEMBL
9702,CC([NH3+])(C(=O)[O-])C1C(C(N)=O)N1C(N)=O,0,GDB ChEMBL
149295,C#CCC(C)C(CC1CCC1)C1=CCCC1,0,GDB ChEMBL
350712,CCCN=CN1CC([NH+]=C(N)CO)CCC1=O,0,GDB ChEMBL
1116,CCCC1C(C)C2CC(O)C1(C)O2,0,GDB ChEMBL
222829,C=C1CC(C)C2(C)CCCCCC12,0,GDB ChEMBL
239371,CCC1CCCCC(C)(C)C(C)C1CC(C)C,0,GDB ChEMBL
227322,C#CC1C(O)CC2[NH2+]CCC21,0,GDB ChEMBL
51009,CC1C2CC[NH+]3CC(O2)C(N)C13,0,GDB ChEMBL
36171,CC1([NH3+])CNC(=O)OC1C(C[NH3+])CO,0,GDB ChEMBL
112618,Cc1c(C[NH3+])cc(F)c(F)c1CN(C)C,1,GDB ChEMBL
40428,[NH3+]CC1OC12CCC(C(=O)[O-])C2[NH3+],0,GDB ChEMBL
66634,C#CCCCC(CCC)c1cccc(F)c1,1,GDB ChEMBL
358100,CCC(C)(C)CC(C)CC1C[NH2+]C(C(C)[NH3+])C1,0,GDB ChEMBL
355355,COCCN(C=N)C(=O)C(=O)[O-],0,GDB ChEMBL
54849,C[NH2+]C(C(O)C(C)O)C1OC1C[NH3+],0,GDB ChEMBL
117341,CC1C2CCCCCCC(C)(C)C1C1CC21,0,GDB ChEMBL
223319,COC1C(C(C=NO)=N[O-])C1[NH+](C)CC(N)=O,0,GDB ChEMBL
161071,O=C1CC2(CC[NH2+]C2)N(C(=O)CO)C1=O,0,GDB ChEMBL
233923,CCCN1CCCNC(=NC)S1(=O)=O,1,GDB ChEMBL
305262,CC1COC(=O)N(C)C2=NC1CCC2(N)C#N,0,GDB ChEMBL
208560,C[NH2+]C1CC2CCCC3C(C1)C23,0,GDB ChEMBL
172376,CC(Cc1ncc(F)cc1CN1CC1)=NO,1,GDB ChEMBL
240416,NC(=O)Cc1cc(N)c(I)c(NC=O)c1,1,GDB ChEMBL
184637,COCC(C(C)C)C1(C#N)CCNC=[NH+]1,0,GDB ChEMBL
345431,C#CC(C)CCc1cc(F)cc(C)c1OC=O,1,GDB ChEMBL
186555,C=C1CC(C)CC2CCCCC1C2,0,GDB ChEMBL
174899,CCC1CN(C)C1(C)C(F)(F)F,1,GDB ChEMBL
390511,Cc1cnnn1C1(C#N)CC1,1,GDB ChEMBL
246979,CC(C)(C)[NH2+]CC1(COCCCO)CCCC1,0,GDB ChEMBL
358188,CC1CC=CC2(C)C[NH+](C)CC12,0,GDB ChEMBL
143196,CC#CC(CC1(C(F)(F)F)CC1)C(C)C,0,GDB ChEMBL
339237,CC(=[NH2+])NC1C(=O)OCC1O,1,GDB ChEMBL
354377,NC(=O)C1C(O)C1[NH2+]CC(O)CO,0,GDB ChEMBL
37271,CC1=CCC(C(C)C[NH3+])CCCC=C1,0,GDB ChEMBL
94633,NC(=O)NCCC(O)C#CC=O,1,GDB ChEMBL
144542,C#CC=CCCC(CC)CC1CC1,1,GDB ChEMBL
335455,C#CCC1(CCCCO)CCCC(C[NH2+]C)C1,0,GDB ChEMBL
47522,CC1=C(C#N)C(=O)CCC1,1,GDB ChEMBL
376031,C#CC(O)(CCCC)Cc1c(C)cccc1C,1,GDB ChEMBL
261371,O=C1CC(C2C[NH2+]2)C=CCN2CCN1CC2,0,GDB ChEMBL
10967,NC(C[NH2+]CCO)c1ncncn1,0,GDB ChEMBL
59685,N#CC1[NH+]=C(N)CCC1(C(N)=O)C(N)=O,0,GDB ChEMBL
104697,C#CC(C#C)C(CC=C)OCCC,0,GDB ChEMBL
20501,Cc1nn[nH]c(=O)c1OCC[NH+](C)C,0,GDB ChEMBL
96063,[NH3+]CCC(CO)C1=CCOC(=O)C1,0,GDB ChEMBL
98857,CC(N)(C#N)C(N)CNC(N)=O,1,GDB ChEMBL
3004,N=C1OCCOC(=O)NC(=O)C1N,1,GDB ChEMBL
75840,CC1([NH3+])CC(CCCC[NH3+])(C(N)=O)C1N,0,GDB ChEMBL
187243,CC1(CS(N)(=O)=O)[NH2+]CC1(O)C(=O)[O-],0,GDB ChEMBL
233445,CC(=O)c1cc2c(n1C)CCN2,1,GDB ChEMBL
169375,N=C1OC(C[NH3+])(C(=O)NCC[NH3+])C1C(=O)[O-],0,GDB ChEMBL
288152,CNS(=O)(=O)CCN1C(C)CCC1C(C)=O,1,GDB ChEMBL
391649,CCOCC(O)C12CCN(C3C([NH3+])C31)C2C,0,GDB ChEMBL
39774,CC12CCCCCC1C1CC[NH2+]C1C21CC1,0,GDB ChEMBL
48020,CCC=CC(C[NH3+])C1CC1C1CC1,0,GDB ChEMBL
235503,CC(C)C1C2CCC1C[NH2+]C2,0,GDB ChEMBL
352684,C[NH+]1CC(CO)(C2CC2CC[NH3+])C1,0,GDB ChEMBL
257538,C#CC(CC(CC)C(C)C)CC1(C)CCCC1,1,GDB ChEMBL
194720,CCc1cc(Br)c(CC2CC2C)c(Br)c1,1,GDB ChEMBL
217070,CCC(CO)(C[NH+]=C(N)CC=O)NC(=O)OC,0,GDB ChEMBL
81095,CCCCCC1CC(=O)NC2(CC2)C[NH2+]1,0,GDB ChEMBL
365758,C#CC1CC(C)CC(C)(C(CC)(CC)CO)[NH2+]1,0,GDB ChEMBL
249436,CCC(C[NH+](C)C)C1C2CC=CCC21C,0,GDB ChEMBL
94740,C[NH2+]CC1OCCOCC2CC2C1=O,0,GDB ChEMBL
209442,CC[NH2+]C1C=CC(CC2CO2)CCC1,0,GDB ChEMBL
334031,CCCOC(C)C1CC2(C)CCC1(C)C2,0,GDB ChEMBL
188512,CCCCC1CCC(CCC)CCCC(C)C1,1,GDB ChEMBL
77535,COCC(O)C1(C)CN1C(=O)CO,0,GDB ChEMBL
181584,O=C(CO)CCCn1cnc(CO)c1,1,GDB ChEMBL
12715,COCCN1CC1(C#N)C(C)=O,1,GDB ChEMBL
112836,NC(=O)Nc1ncnc(I)c1C(=O)[O-],0,GDB ChEMBL
130467,CC12CC(=O)OC(=N)C(C1)N(C(N)=[NH2+])C2,0,GDB ChEMBL
218785,CC12CC(O)S(=O)(=O)NC1C(O)CC2C(N)=O,0,GDB ChEMBL
366475,CC1CCC(C2CCCC2CC(C)(C)C)C1,0,GDB ChEMBL
56626,COC(=O)C(O)(C(=N)N)C(C)O,0,GDB ChEMBL
304265,Cc1cc(C)c(OCC2CC[NH2+]2)c(Cl)c1,0,GDB ChEMBL
204648,NC(N)=[NH+]CC(CO)CCn1nnc(=O)nn1,0,GDB ChEMBL
101909,Cc1c(CC(C)(C)C)cnc2c1CCC[NH2+]C2,0,GDB ChEMBL
103507,CC1CN(C)CC(C2CC2C)[NH2+]1,0,GDB ChEMBL
385951,CCC1CCCC2C(C)C=CC(C1C)C2C,0,GDB ChEMBL
101525,CC1=NC(CNC(C=O)C(N)=O)CCO1,1,GDB ChEMBL
179456,COC(C#N)CC1(C(C)[NH2+]C(C)C)CCC1,0,GDB ChEMBL
30375,NC(=O)c1ncc2c(O)ccc(F)c2n1,1,GDB ChEMBL
44344,CC1C[NH+](C)CC(N)CC#CC1(C)C,0,GDB ChEMBL
337199,CC1CNC(=[NH2+])CCC(O)COC(=O)C1C[NH3+],0,GDB ChEMBL
17072,CC(CCCO)C1=CC2([NH3+])CC2N(C)C1,0,GDB ChEMBL
313702,CC[NH2+]C(CC#N)CC1C2CCOC1C2=O,0,GDB ChEMBL
17050,CCC1CC2C(=[NH+]1)NCCC2[NH3+],0,GDB ChEMBL
13775,CCOC(C1CN1)C1CN1,0,GDB ChEMBL
211159,C#CCC1CC2CC2CC1[NH2+]CC,0,GDB ChEMBL
209716,CNC(=O)C1COC(=O)C(=O)O1,1,GDB ChEMBL
391799,CNC(=O)C(=O)NC(=O)C1CC1,1,GDB ChEMBL
161089,NC(=O)NCCCC(CN1CC1)=NO,1,GDB ChEMBL
201064,[NH2+]=C1NCCN1CCC1CO1,0,GDB ChEMBL
82138,OCCC1CC2C[NH2+]C1C(C1CC1)O2,0,GDB ChEMBL
386535,CC12CC([NH3+])CC3[NH2+]C1CCCC32,0,GDB ChEMBL
316472,Cc1ccn2nc(OC(N)=O)c(N)cc12,0,GDB ChEMBL
382096,[NH3+]Cc1cc(Br)cc2c1OCC=CC2,1,GDB ChEMBL
248230,CC#CC1=C(C)CCC1CCC(=O)[O-],0,GDB ChEMBL
339974,N#CC1=CNC(=O)OCCCNC1,1,GDB ChEMBL
179487,N#CC1(C=O)OC(=O)N2CC(O)CC21,0,GDB ChEMBL
179342,CNC(=O)C12COC(OC1C(N)C[NH3+])C2C[NH3+],0,GDB ChEMBL
355768,COC1C(OS(N)(=O)=O)C1C([NH3+])C(=O)[O-],0,GDB ChEMBL
346514,CC(C)(C)c1cc(Cl)cc2c1CCC=C2,1,GDB ChEMBL
166395,COCC1C[NH+]2CC1(CCC(C)C)C2C,0,GDB ChEMBL
334098,COC1(C(O)C(=O)[O-])OCCNC1C(=O)[O-],0,GDB ChEMBL
263266,CC(O)C1C(C)CC2[NH2+]CCOCOC(=O)C21,0,GDB ChEMBL
119933,CCCc1cc(I)cc(CC(C)CC)c1CC,1,GDB ChEMBL
290304,C#CC(=O)N(C=NC)CCNC(=O)CO,0,GDB ChEMBL
374343,C#CC1CC(C)(C)C(C)C(C)[NH+]1CC(C)CC,0,GDB ChEMBL
215855,CCC1C(OC)=NCCC1[NH3+],0,GDB ChEMBL
363769,CS(=O)(=O)NC(CO)C1OCC1[NH3+],1,GDB ChEMBL
241154,CS(=O)(=O)N1CC2CCCC1CCC2=NO,1,GDB ChEMBL
144607,COC(CO)CC1CCN1C(=O)C(C)OC,1,GDB ChEMBL
174703,CC(NC(N)=[NH2+])c1nc[nH]n1,0,GDB ChEMBL
305574,C#CC1(OCC[NH2+]C)CC(=O)N(C=O)C(C)C1,0,GDB ChEMBL
259707,CCC(=O)Oc1c(C2CC[NH+](C)C2)nsc1[O-],0,GDB ChEMBL
275606,CC1CCC[NH+](C)CC1CC(C)(C)C(C)C,0,GDB ChEMBL
222149,CC(CCC1(C)CO1)C([NH3+])CN,0,GDB ChEMBL
367635,[NH3+]C1C(=O)N2CC3OC3CCC(O)C2C1O,0,GDB ChEMBL
362796,CCC(OC(C)=O)C1C2CC(CC1(C)O)O2,0,GDB ChEMBL
254911,CCC(=O)NCC(C)C#N,1,GDB ChEMBL
81108,OCc1[nH]c2cncnc2c1O,0,GDB ChEMBL
294257,C1=CC([NH+]2CCC2)CC1C1CC1,0,GDB ChEMBL
109206,CC1CC2CC2C(C(=O)C(C)(C)C)C1,1,GDB ChEMBL
375739,CC([NH+](C)CCO)C(C)(C)[NH3+],0,GDB ChEMBL
39955,[NH3+]CC1CC2OCCC[NH2+]CC1C([NH3+])C2O,0,GDB ChEMBL
362594,CCC1N=C(C)N(CCO)C2C[NH2+]C1C2O,0,GDB ChEMBL
319815,CCN(CC#N)C(=N)NS(C)(=O)=O,1,GDB ChEMBL
62825,N#CCC1C(C(=O)[O-])CC2CCC1(O)C2,0,GDB ChEMBL
283460,COC1C(=O)N2CC3CC3C(C)CC12,0,GDB ChEMBL
368473,CC1C(C[NH3+])C2C[NH+]1CC2O,0,GDB ChEMBL
151125,CC1CCCC(O)C2(C)C1CC1CCCC12C,0,GDB ChEMBL
181660,C[NH2+]CCC1(C)CCCCOC(C)(C)C1,0,GDB ChEMBL
308113,[NH3+]C1CCC2CN=CN2C1=O,1,GDB ChEMBL
310288,CCNC(C)(C[NH3+])COC(C)=O,1,GDB ChEMBL
349449,[NH3+]CCNCC([NH3+])CC1C=CC=C1,0,GDB ChEMBL
177285,CCNC(=O)C1CC1(O)CO,1,GDB ChEMBL
370294,COC(CCC[NH3+])C1CC1,0,GDB ChEMBL
107641,[NH3+]CCNCC1COCC(O)CO1,0,GDB ChEMBL
334116,CC([NH3+])CCC1=CCOCC1,0,GDB ChEMBL
156197,CC1CC=C2C(c3ccc(Br)c(N)c3)[NH2+]C21,0,GDB ChEMBL
362676,CC(O)CN(C=O)CCC(C)C([NH3+])(CN)CO,0,GDB ChEMBL
236594,COC1C(O)COC1CC(N)=[NH2+],0,GDB ChEMBL
37636,COC(=O)Cc1c(Br)ncc(Br)c1N,1,GDB ChEMBL
77343,CCc1cc(Cl)c2c3c1CC(C)C(=O)C3CC2,1,GDB ChEMBL
121759,CCc1cc(C(N)C2(C#N)CC2)cs1,1,GDB ChEMBL
204792,COCC1CNC(=O)C1OC=O,1,GDB ChEMBL
117390,CCCC12OCC(O)C1C2(C#N)CO,0,GDB ChEMBL
59172,C#CC(C)C1([NH2+]C)CC([NH3+])C(O)C1OC(N)=O,0,GDB ChEMBL
334442,CC(CN1C=[NH+]CCC1(C)C)NC=O,0,GDB ChEMBL
119400,CN(C=O)C1C([NH3+])CNCC1C#N,0,GDB ChEMBL
211144,CN=C1OC(=O)N(C)CC1NCC#N,1,GDB ChEMBL
131881,CC1CCCCCCC(O)C(C)C(O)CCC1,0,GDB ChEMBL
241158,Cc1cccc(C(F)(F)F)c(C[NH3+])cc(C)[nH]1,0,GDB ChEMBL
270038,CCCC1C(O)C2CCCC=C(C)C1C2C,0,GDB ChEMBL
383940,CCCC1(CC(C)O)C[NH2+]CC[NH2+]C1,0,GDB ChEMBL
217140,C[NH2+]CC1CC2OC(C)C1(C(=O)NCC[NH3+])O2,0,GDB ChEMBL
181124,CC1(C)COC(C([NH3+])(CO)CNC(N)=O)C1,0,GDB ChEMBL
363552,CC(C)C1=CCCCC(CC2CC2)C1,1,GDB ChEMBL
12750,CC(C[NH+](C)C)C1CC([NH3+])C2CN12,0,GDB ChEMBL
23982,O=Cc1c(CO)cc([O-])c(Cl)c1S(=O)(=O)[O-],0,GDB ChEMBL
344332,CCC(C)CC([NH3+])C(N)C([NH3+])CCO,0,GDB ChEMBL
358307,COC1(CO)C(OC(N)=O)CC(O)C1O,0,GDB ChEMBL
339216,Ic1ccc(C23C=CC(CC2)C3)cc1,1,GDB ChEMBL
281004,COCC1(N2CCOCC2)CC[NH2+]C1,0,GDB ChEMBL
125632,CNCC(=O)OCC(=O)C(N)=O,1,GDB ChEMBL
259598,Cc1nccc2c1C1(CC1)OCC2C,1,GDB ChEMBL
40022,CCC1CCC(C)=C(C(=O)COC2CC2)C1,0,GDB ChEMBL
348709,CNC(=O)C1=C(C)NCCC(O)C1C,0,GDB ChEMBL
338335,C[NH2+]CC(N)C1C(O)C(C#N)C1(N)C(N)=O,0,GDB ChEMBL
118735,CC1(C)COCCN(C(N)=O)Cc2c[nH]c1c2,1,GDB ChEMBL
244587,CC(=O)CC1C(CC#N)NC(=O)N(C)C1(C)C,0,GDB ChEMBL
246957,CCOC1C([NH2+]C)C(C=O)C1(O)C(=O)[O-],0,GDB ChEMBL
205804,CCN1C(=O)C(C)=CC1CC[NH3+],0,GDB ChEMBL
222882,NC(=O)C([NH3+])C1CCCC1,1,GDB ChEMBL
194439,CC[NH2+]CC([NH3+])C1CCC([NH3+])C(C)(C(C)C)C1,0,GDB ChEMBL
137375,CCC1=CCCC(CC(C)[NH3+])CC(C#N)C1,0,GDB ChEMBL
77747,NC(=O)C1NC2C(=O)OC3C(CO)OC1C23,0,GDB ChEMBL
274416,Cc1cccc(C2C3C=CC2O3)c1F,1,GDB ChEMBL
289424,C[NH2+]CC(C=O)C(C)CC1CC1,0,GDB ChEMBL
160074,CCCC12CCCCC1C(C)(C)CCO2,1,GDB ChEMBL
242649,CCn1nncc1CNS(C)(=O)=O,1,GDB ChEMBL
94880,CCC(O)C(C)N1C(C(=O)[O-])C1S(N)(=O)=O,0,GDB ChEMBL
316442,CCC[NH2+]C1(C)CC(C)C(C[NH3+])C(C#N)C1,0,GDB ChEMBL
316312,C[NH2+]C1C2CC1(C(=O)[O-])CC=CC2O,0,GDB ChEMBL
5852,CC1CC(CC(F)(F)F)C2CC=CCC12,0,GDB ChEMBL
76454,CC12CCOC3C1C3C(C)(CC(=O)[O-])C2,0,GDB ChEMBL
302630,CC#CC1(O)CC[NH+](C)C(C)(C)C1,0,GDB ChEMBL
346865,C[NH2+]C(C)C(C)(C)C(C)CCOCC(C)C,0,GDB ChEMBL
121460,Cc1noc(C2(N(C)C=O)CC2)n1,1,GDB ChEMBL
338895,C#CC1(C)C2CCC1C(CC)C(CCOC)C2,0,GDB ChEMBL
234392,CC(O)C1C(C)(O)CC12CC[NH+](C)CC2,0,GDB ChEMBL
274894,CNCC(c1cscn1)N(C=[NH2+])CCCO,0,GDB ChEMBL
260726,NC1=NCCC(=O)N1[C-](C=O)C=O,0,GDB ChEMBL
284784,C#CC1[NH+](C)CCC1(O)CCCC(C)C#N,0,GDB ChEMBL
95600,CCCC1([NH+](CC)CC)C(O)C1C=O,0,GDB ChEMBL
88150,CC1C[NH2+]CCC2CC2CC(C)C1,0,GDB ChEMBL
194534,CCCCC#CCC(C)CC#CCCCO,1,GDB ChEMBL
362583,COC1C(O)C([NH3+])CC2COC21,0,GDB ChEMBL
382961,C#CC(C)CCCC(C)CC[NH3+],0,GDB ChEMBL
325927,CC(C)C1OCC2C(C)C[NH2+]C2C1C(C)O,0,GDB ChEMBL
333615,CC12Cc3ccc(Cl)cc3CC1N2,0,GDB ChEMBL
202841,C#CC(CC)(C[NH3+])OCCO,0,GDB ChEMBL
360803,CN1CC(=O)NC(=O)C1c1nccs1,1,GDB ChEMBL
227744,CC1(O)COC(CN(C=O)C(N)=O)C1C(=O)[O-],0,GDB ChEMBL
296023,CCC1(NCCO)C2CCC(C)C([NH2+]2)C1OC,0,GDB ChEMBL
315154,CCC1CC(C)=CC(OC(C)=O)C1C=O,0,GDB ChEMBL
283428,NC1(C(=O)NC=O)CCOC1,1,GDB ChEMBL
126372,NC(=O)C1NC(C(N)=O)C2OC(=O)OC12,1,GDB ChEMBL
91158,NC(=O)c1nsc2c1C(=O)NCC([NH3+])C2,0,GDB ChEMBL
203607,[NH3+]C1CC12CCC(CNc1ccsc1)CC2,1,GDB ChEMBL
399017,CC(=O)OC1C(=N)N(C(N)=O)C1C,0,GDB ChEMBL
148403,C[NH2+]CCC1NC(=O)C1OC(N)=O,0,GDB ChEMBL
284882,CC(O)C(NCCC#N)C(O)CC1CC1O,0,GDB ChEMBL
147236,CC1(C)CCC(CO)N=C(N)O1,0,GDB ChEMBL
175721,C#CCC(C)C1CC(CC)c2cccc(F)c21,0,GDB ChEMBL
385909,O=C1NC2C3CCC(C1O3)C2O,0,GDB ChEMBL
382172,NC(=O)C1C(O)C([NH3+])CC2NC(=[NH2+])OC21,0,GDB ChEMBL
28232,CC#CCC(C[NH3+])(COC)C1CCC1,0,GDB ChEMBL
153257,Cc1cc(C(C)O)ccc1N(C)CC(C)(C)C,1,GDB ChEMBL
157753,CC1C2CCC1(C)CC2C(O)CC(=O)[O-],1,GDB ChEMBL
177262,C#Cc1cc(N)ccc1CC(C)CCC,1,GDB ChEMBL
289789,CC1COC2=NCC(CCNC(=O)N2C)[NH2+]1,0,GDB ChEMBL
260697,CC12C[NH2+]C(C(N)=O)CC(Cn3nccc31)N2,0,GDB ChEMBL
99392,N#CCC(O)C(C[NH3+])C(N)C([NH3+])C(=O)[O-],0,GDB ChEMBL
76403,NC(=O)Cc1cnc2c(n1)CCC2,1,GDB ChEMBL
127033,COC1C(O)C(C)[NH2+]C1(C)C(CO)CC(N)=O,0,GDB ChEMBL
294192,CCc1nc(Cl)nc(C#CCOC)n1,1,GDB ChEMBL
190257,N#CCS(=O)(=O)N1CCC2(C(=O)[O-])CC12,1,GDB ChEMBL
290312,CNc1cc(C=O)nc(N)c(C)scn1,0,GDB ChEMBL
251894,C[NH2+]CC1NS(=O)(=O)C2NC(=O)C([NH3+])C12,0,GDB ChEMBL
177065,COC(C[NH3+])C1(C#N)CC1[NH3+],0,GDB ChEMBL
5247,CCC1COC(COC(N)=O)(CC(C)=O)C1O,0,GDB ChEMBL
81093,C#CCCC([NH3+])c1cc(Br)cc(C#C)c1CC,0,GDB ChEMBL
252066,COC(=O)NC1C2CC([NH3+])(C1O)C2(C)O,0,GDB ChEMBL
112433,COC(=O)C1OC(CO)C2C1N2C=O,0,GDB ChEMBL
156114,C[NH+]=C1CC(C)C(C)C(CC[NH3+])N1,0,GDB ChEMBL
363544,CC1CC2CC=CCC(CC1C)C2C,0,GDB ChEMBL
320254,CNC(=O)NCC(C)S(=O)(=O)N(C)C,1,GDB ChEMBL
23667,C[NH2+]Cc1ccc(CC(=O)C(C)(C)C)cc1Br,0,GDB ChEMBL
255470,CC(C)(CC([NH3+])C(=O)[O-])C12CCC(O1)C(=O)O2,0,GDB ChEMBL
119433,CCC1C=CCC1CCc1ccccc1I,0,GDB ChEMBL
358239,Cc1nc2c(s1)C#CCCCOC2,1,GDB ChEMBL
303935,CCC1(O)CCN=C(NC(N)=O)NC(=O)C1O,0,GDB ChEMBL
229438,CC(C)CC1(C=O)CC[NH+]1C(C)C,0,GDB ChEMBL
375715,CC1CCC2CCC(C1)CC(C)C2,0,GDB ChEMBL
252670,NC(=[NH2+])NC1COC(=O)CNC1C=O,0,GDB ChEMBL
374353,O=C(CO)C(=O)N1CCC1,1,GDB ChEMBL
122834,[NH3+]C1CC2CC(O)C(O)C[NH2+]C2C1,0,GDB ChEMBL
287377,CCNC(CNC(N)=[NH2+])c1noc(=O)[nH]1,0,GDB ChEMBL
357635,Fc1cc(CCC2CC2)cc2c1CCCC2,1,GDB ChEMBL
26022,C[NH2+]C1CC2CC(O)CC1C(O)C2,0,GDB ChEMBL
311316,C#CC1C=C(c2ccc(I)cc2)C[NH2+]CC1,0,GDB ChEMBL
50329,CC1C2COc3c(ccc(Cl)c3Cl)N1C2,1,GDB ChEMBL
43545,CC(=O)CC(O)C(C)OS(N)(=O)=O,1,GDB ChEMBL
165961,CCCC(C)C(C)C(C)C(CC)C[NH2+]CCN,0,GDB ChEMBL
392748,CC1CCC2CCC(CCC(C)C2)C1,0,GDB ChEMBL
300525,NC1=[NH+]CC2CCC[NH2+]C12,0,GDB ChEMBL
228400,CC#CCC1(CC)CC=CCCC1,1,GDB ChEMBL
119962,C#CC(=O)c1cc(Br)cc(C)c1CC(C)C,1,GDB ChEMBL
218606,CC1CC=CC(C)C(C)OC1,1,GDB ChEMBL
252056,CCCCC1CC2C(CCC)[NH2+]C1C2N(C)C,0,GDB ChEMBL
271012,CN=C(NC=[NH2+])Nc1ncccn1,0,GDB ChEMBL
227761,C#CC1(CC(=O)NC)CC(O)(CCO)C1,0,GDB ChEMBL
210964,CCC1=CCC(c2ccccc2F)=CC=C1,1,GDB ChEMBL
13872,CC1(O)CC(O)C2(CO)CNC1C(=O)N2C=O,0,GDB ChEMBL
84854,CC1=CCCc2cc(CC(C)C)c(Cl)cc21,1,GDB ChEMBL
292200,CCc1cc(C)cccc(NC(N)=O)sc1C,0,GDB ChEMBL
225387,CC(C)[NH+]1CCCC1C=O,1,GDB ChEMBL
334443,Nc1nc(CC(O)C=O)cs1,1,GDB ChEMBL
305976,COCC1OC(=O)C(S(N)(=O)=O)C1(C)C,0,GDB ChEMBL
190080,C#Cc1ccc(C(C)(C)COC=N)c(C)c1,1,GDB ChEMBL
4760,CC(CNC=O)CC(C[NH3+])(OCCO)C(C)O,0,GDB ChEMBL
29728,C=C1CC2C(CC(CC)CO)N2C1,0,GDB ChEMBL
48176,[NH3+]CC#CCCC1=Cc2cccnc2OC1,0,GDB ChEMBL
298240,CN=C(OCCCO)C(N)C[NH3+],0,GDB ChEMBL
286305,CC1CC2(c3ccccc3I)CCCC1CC2,0,GDB ChEMBL
92854,CC1(O)CCC2C(CC[NH3+])C2C1[NH3+],0,GDB ChEMBL
113534,CC1C[NH2+]C(C)C2C(CO)CC12,0,GDB ChEMBL
193180,CC[NH2+]C1C(C)COCC(O)C#CC1NC,0,GDB ChEMBL
300534,COC(=O)C(C)C(O)C(O)CN=C(N)C(N)=[NH2+],0,GDB ChEMBL
275479,CCOC1(C)C2CC(CC2O)C1(C)CC,1,GDB ChEMBL
195254,CC1CC(CCC(N)=O)CC1S(=O)(=O)[O-],0,GDB ChEMBL
63119,C#CCC(C)c1c(C)ccc(Cl)c1C,1,GDB ChEMBL
41617,C#CC1(C)CCCC[NH+](C)C2CCCC2C1C,0,GDB ChEMBL
132270,CC(C(O)CO)C1C(N)C1C#N,0,GDB ChEMBL
23615,CCC1C2CCCCC(C(C)C)C(CC2)C1C,0,GDB ChEMBL
131886,CC1=CC2(CC(C)C)CCC(CC2)C1,1,GDB ChEMBL
262220,Cc1c(F)cc2c(c1CCCC[NH3+])CCC2C,0,GDB ChEMBL
83516,NC(C[NH3+])C1C2C([NH3+])CNC(=O)CN12,0,GDB ChEMBL
294245,CC1=C(Cc2ccccc2F)CCC12CO2,1,GDB ChEMBL
398881,COC(=O)C(CO)C1C(=NO)CN1C,0,GDB ChEMBL
229483,CN(C=O)C(C)(C)CCO,1,GDB ChEMBL
277436,CCc1oc(=O)c(I)nc1CC[NH2+]CCC[NH3+],0,GDB ChEMBL
221935,CCC1C2[NH2+]CCC2C(CO)CN1C,0,GDB ChEMBL
304634,O=C([O-])CC1OCC1O,1,GDB ChEMBL
210938,CCOC1CC2(CC2)CC(CC)C1(C)C,1,GDB ChEMBL
250544,CC1C2C(CO)CCCCC(C[NH+](C)C)C12,0,GDB ChEMBL
275682,CN1C2CC3[NH2+]CCC(C)(C2)C31,0,GDB ChEMBL
38175,[NH3+]C1CCC2(O)CC(OC2=O)C([NH3+])C1O,0,GDB ChEMBL
194740,C[NH2+]CC(CC[NH3+])CC(O)Cc1cc(C)c[nH]1,0,GDB ChEMBL
95167,CCC(=O)OC(C)C1OC1(C)C(=O)CO,0,GDB ChEMBL
126855,CC1Cc2cc(Cl)cc3c2C2(C=C3)CC12,0,GDB ChEMBL
317974,CC(C#N)N=CNC1=NCC(=O)N1,0,GDB ChEMBL
311321,CC(O)C1C=CCC(O)C(C)C1,0,GDB ChEMBL
55541,NC(=[NH2+])NCC1(C[NH3+])CC=CC1,0,GDB ChEMBL
108166,CCC1c2c(cc(C)n2C)CC1(CC)C[NH2+]C,0,GDB ChEMBL
240492,CN(C)C1C(=O)NCC12OC2(C[NH3+])C(=O)[O-],0,GDB ChEMBL
319333,Nc1nnn2c1CC([NH3+])C(C(=O)[O-])C2,0,GDB ChEMBL
244625,CC1C2CCC3CC(=O)CC(CC1(C)C)[NH+]32,0,GDB ChEMBL
128329,CCC1CC2(CCO1)CC2C(C)CC,0,GDB ChEMBL
355429,CCc1[nH]nc(O)c1C(C[NH3+])N(C)C,0,GDB ChEMBL
372617,CCC1CCC2C3CC=C(C)C(C)(C3)C2C1,0,GDB ChEMBL
141719,C[NH2+]CC1(CC#N)CC=CCC1O,0,GDB ChEMBL
222099,CC(O)(CO)C1CC12CCC(=O)N2C(=N)N,0,GDB ChEMBL
121735,C#CCCc1ccc(C)c(I)c1CCC,1,GDB ChEMBL
246799,CC12CNC(C#N)C(N)C1C(C(=O)[O-])C2,0,GDB ChEMBL
8773,CNC(=O)C1CNCC(=O)NC(CC(N)=O)=N1,0,GDB ChEMBL
115553,O=C1C2C[NH2+]CC2S(=O)(=O)N1CCO,0,GDB ChEMBL
126639,CC1CC(=O)OC(C([NH3+])c2nnn[n-]2)O1,0,GDB ChEMBL
204851,CC1(C)C=CCC(=O)N(C=O)C(=O)C1O,1,GDB ChEMBL
127277,CCC1CC2Nc3ccc(C=O)c(F)c3C12,0,GDB ChEMBL
261376,C#CC1C([NH3+])CCC(C)(C[NH3+])CCC1O,0,GDB ChEMBL
277806,CC1CCC2(C)CCCC2C(C(C)O)C1,0,GDB ChEMBL
112562,C[NH+](C)CCc1ccno1,1,GDB ChEMBL
44940,C[NH+](C)CCC1C=CC(C#N)(C#N)N1,0,GDB ChEMBL
184870,CCC1C2CCC3CCC[NH+]3CC1C2,0,GDB ChEMBL
275663,CN1CC1(CO)C(C(N)=[NH2+])C(N)=O,0,GDB ChEMBL
122890,CC[NH2+]C1(C(C=O)NC)CCOC(=O)C1C=O,0,GDB ChEMBL
4959,CC(CC(N)=[NH2+])CC([NH3+])c1coc(CO)c1,0,GDB ChEMBL
390143,CCCc1c(I)ccc2c1C1CC1CC2,1,GDB ChEMBL
212611,NC(=[NH2+])CNCCO,1,GDB ChEMBL
179325,C=CC(C=O)NC(C)=[NH+]CC(=O)[O-],1,GDB ChEMBL
375590,O=CC1(O)C(CC(=O)[O-])OCC(O)C(O)C1O,0,GDB ChEMBL
191358,CC1[NH+]=C(N)C2CC2C(=O)[N-]C1C#N,0,GDB ChEMBL
209825,CC[NH2+]C(C)(C=O)CCCOC,1,GDB ChEMBL
31801,[NH3+]C1CS(=O)(=O)NC2CC1OC2=O,0,GDB ChEMBL
339251,C[NH2+]C1C2OC(OC)C1C1C2CC(=O)N1C,0,GDB ChEMBL
316437,NS(=O)(=O)CC1(O)CNC(=O)C1C=O,0,GDB ChEMBL
277638,C#CCCC1(C2CCCCCCCC2)CC1,1,GDB ChEMBL
132323,C[NH2+]C(CO)C(O)C1=CC(=O)NCC1O,0,GDB ChEMBL
141852,O=C1NC2C(O)C1OCOCC1CC12,0,GDB ChEMBL
85010,CN=C(C)OCCNC=O,1,GDB ChEMBL
51334,Nc1onc2cc(C(=O)[O-])c(=O)oc12,1,GDB ChEMBL
240367,[NH3+]CC12CC3C(N1)C(=O)NC2C3O,0,GDB ChEMBL
201355,CCCCC1([NH3+])CC([NH2+]CC)C1,0,GDB ChEMBL
26549,C#Cc1c(I)cnc(OC)c1OCC,1,GDB ChEMBL
379887,C[NH2+]CC1COC(=O)C(C=O)(CO)N1C(C)C,0,GDB ChEMBL
303326,COC(C)C1CS(=O)(=O)N2CC12,0,GDB ChEMBL
205780,CCc1c(F)cc(F)cc1OCC1(C)CC1,1,GDB ChEMBL
128327,COC1C[NH+](C)C(C)(C)CC(C)C(C[NH3+])O1,0,GDB ChEMBL
239966,[NH3+]C1CCC(OC2CC2)CC1,0,GDB ChEMBL
380372,CC(=O)NCC(=[NH2+])N(C)CC(C)C,0,GDB ChEMBL
169501,CC12CCC([NH3+])CC(CC1)O2,0,GDB ChEMBL
50135,CCC#CCC1CCC(CC(C)=O)CC1,1,GDB ChEMBL
188470,C#CC1CC(O)CCCC1O,1,GDB ChEMBL
300105,CCCC(C)C1C2C=CC([NH2+]2)C1C,0,GDB ChEMBL
80300,[NH3+]C1C2CC(S(=O)(=O)NCC(=O)[O-])C(O)C12,0,GDB ChEMBL
160991,CC1NC(C(N)=O)C(=O)OC(C#N)C(O)C1=O,0,GDB ChEMBL
271524,NC(=O)NC1(C(=O)[O-])CC(O)CC1O,0,GDB ChEMBL
17324,Ic1cc(N2CCC2)cc2c1CCC2,1,GDB ChEMBL
374924,N#CC1C(O)C2OCC(=O)OC1C([NH3+])C2O,0,GDB ChEMBL
191571,COC(C(C(=O)[O-])C(C)[NH3+])S(N)(=O)=O,0,GDB ChEMBL
124783,CCCC1CCCC[NH+]=CNC2CC(C1)C2,0,GDB ChEMBL
157686,CC12CN1CC1C[NH+](CCC[NH2+]CCN1)C2,0,GDB ChEMBL
2084,CC1CNC(=O)NCC1O,1,GDB ChEMBL
91160,C[NH2+]C1CC([NH3+])C(O)C1(C)OC1COC1,0,GDB ChEMBL
298231,CC1C(C(N)=O)CCCN2C(C)C12,0,GDB ChEMBL
85711,CCC(C)CC1CC=CCCC=C1C,1,GDB ChEMBL
386197,COc1cnc2c(c1O)C=CC(C)(C=O)C2,0,GDB ChEMBL
342370,CC(C)CC1(C)CC2(CCCCC1C)CC2,0,GDB ChEMBL
81489,CCCCC12CC1C(C)C(C)CC2O,0,GDB ChEMBL
125693,Cc1ccc(CCO)cc1OC1CC1,1,GDB ChEMBL
123050,CC1(O)C(=O)NCC2CC21,1,GDB ChEMBL
338545,CNC(=O)C1CC([NH3+])C(N)C1(C)CC#N,0,GDB ChEMBL
33240,N#CC(=N)NC1CCNC1=O,1,GDB ChEMBL
180990,COCC([NH3+])C1(C(=O)[O-])NC(=O)NC1C(C)O,0,GDB ChEMBL
28381,CCC(C)(C)c1cc(C)c(C)cc1Br,1,GDB ChEMBL
126373,COC(CO)C1(O)CC1C,1,GDB ChEMBL
39776,C#CCOCCC1C[NH2+]C(C)CC(C)C1(C)C,0,GDB ChEMBL
398151,CCc1cc(Br)ccc1C(C)(C)C,1,GDB ChEMBL
252644,COCC1(CCCCCCC#N)CC1,1,GDB ChEMBL
181730,C[NH+]1CC2CN(CC#N)C2C1(C)CC(N)=O,0,GDB ChEMBL
77503,COC(C)(C[NH3+])C(O)CS(N)(=O)=O,1,GDB ChEMBL
341195,C#CCCC#CCC([NH3+])CC(C)(C)C[NH3+],0,GDB ChEMBL
132674,CC#CC(C)[NH2+]C1CNC(=O)NC1,0,GDB ChEMBL
28188,CC(=O)OC1C2C(O)CC(O)C12C[NH3+],0,GDB ChEMBL
144509,Cc1c(N)c2c(c(C)c1Br)N(CC(C)O)CC2,1,GDB ChEMBL
307987,CCCC(=O)c1cccs1,1,GDB ChEMBL
162528,COCC([NH3+])CC([NH3+])C1OC1(C)C(=O)[O-],0,GDB ChEMBL
148807,CC1=CC(C)C(C(C)O)C=CCCC=CC1,0,GDB ChEMBL
308165,CC1CC2COCCC2C1C,0,GDB ChEMBL
103492,NC(=O)Cc1cnc(CC2CO2)[nH]1,0,GDB ChEMBL
165246,CCNC(C(=O)[O-])C(N)(C#N)CN,0,GDB ChEMBL
304451,CCC12OC(=O)C(C([NH3+])C1O)C2O,0,GDB ChEMBL
395917,CC1C(O)C2NC(=N)OC2OC(=O)N1C,0,GDB ChEMBL
236534,CCC(CC1CCCC1C)CC(C)C(C)(C)C,0,GDB ChEMBL
318530,CC(=O)C1CC=CC(C)CC(C)C1,1,GDB ChEMBL
81087,CC1C=CC2(C)C1COC1CC[NH+](C)C12,0,GDB ChEMBL
81580,CCCCNC(=[NH2+])OC(C)(C)COC=O,0,GDB ChEMBL
17661,CCOCC(C)CC(C)CC(CC)CC(C)C,0,GDB ChEMBL
350249,CC1[NH2+]C(C(=O)[O-])CCC12CC2O,0,GDB ChEMBL
376065,CCC1CCC([NH3+])C2C=CCC12C,0,GDB ChEMBL
362979,CC1CC(NC(N)=[NH2+])C(O)C2CN12,0,GDB ChEMBL
31058,Cc1c(Br)cc2c(c1CC(C)(C)C)CC(C)C2,1,GDB ChEMBL
299954,CN(C)C(=O)C1CCCC(O)(CO)CC(=O)N1,0,GDB ChEMBL
92345,CC1CCCC1CNC(=O)C(=O)CO,1,GDB ChEMBL
366497,NC1=NCC(=O)NC(=O)N1C(=O)CO,0,GDB ChEMBL
84198,NC(N)=[NH+]CCC(O)C([NH3+])C(CC[NH3+])C(=O)[O-],0,GDB ChEMBL
83100,CCC1C(C(=O)C(=O)[O-])=C(C)CCC1(C)C,0,GDB ChEMBL
26857,CC1CC1c1cc(O)cc(Br)c1,1,GDB ChEMBL
238160,CC([NH3+])C(=O)NC1(CO)C(O)C([NH3+])C(O)C1O,0,GDB ChEMBL
375708,C=CC(C)C1OC(C)C([NH3+])C1CO,0,GDB ChEMBL
357655,CCC(C[NH3+])(OC)C(O)C(N)=O,0,GDB ChEMBL
4846,C[NH2+]CC1OC(C)C2(C)CC1C1CC12,0,GDB ChEMBL
346818,CC12C[NH2+]C(C(N)=O)C1(N)C(O)CC2O,0,GDB ChEMBL
394885,CCC(C)CC(C)(C)C1(C(C)C)CCCO1,0,GDB ChEMBL
151195,NC(=[NH2+])N1C(=O)N2C(C(=O)[O-])C(O)C3C1C32,0,GDB ChEMBL
200754,N#CCCC(O)CCN1CC(=N)OC1=O,1,GDB ChEMBL
344394,CC1OC(C)(CC(=O)[O-])C(O)CCC1=NO,0,GDB ChEMBL
349470,CNC(=O)CC([NH3+])COC1(C#N)CC1,0,GDB ChEMBL
249522,CCC(CCO)[NH+](C)C1COC1,0,GDB ChEMBL
204146,CCCCc1cc2c(cc1C)C=CC1CC21,1,GDB ChEMBL
26883,C[NH2+]CC12CC1C[NH2+]C1CCCC1O2,0,GDB ChEMBL
379841,C#CC(C)C(C)[NH2+]CC1COC(CCCC)O1,0,GDB ChEMBL
328849,COCC(C)N=C(NC(C[NH3+])CO)OC,0,GDB ChEMBL
305058,CC[NH2+]C(CO)C1CC1OCCO,0,GDB ChEMBL
398880,C[NH2+]C(CS(=O)(=O)C=CC#N)C(C)O,0,GDB ChEMBL
75405,COC(=O)NC1C2CCC1(C[NH3+])O2,0,GDB ChEMBL
298975,CCC(CC1C[NH2+]1)c1ccco1,0,GDB ChEMBL
258337,CNC(=O)C1(O)C(N)C2CC(O)C1[NH+]2C,0,GDB ChEMBL
802,[NH3+]C1CC2(O)CC1C1CCOCC12,0,GDB ChEMBL
28189,COC=NC(CC(=O)[N-]S(C)(=O)=O)C(=O)[O-],0,GDB ChEMBL
172781,C#CC1(C)C(=O)CCC1O,1,GDB ChEMBL
201408,C#Cc1c(C)c(Br)c(C)c2c(N)cccc12,1,GDB ChEMBL
61319,CS(=O)(=O)NC1(CC(N)=O)C[NH2+]C1,1,GDB ChEMBL
274243,CC[NH2+]Cc1cc(C(C#N)CN)no1,0,GDB ChEMBL
112366,C#CCC(=O)OC12CCC(CC(C)C1)OC2,0,GDB ChEMBL
370269,CCC1C[NH+]2CCN1C(C[NH3+])CC2C1CO1,0,GDB ChEMBL
292560,CCC(C)N1CCC2C[NH+](C)CCCC1C2=O,0,GDB ChEMBL
277094,C#CC1CNC(C(N)=O)C(=O)NC1=O,0,GDB ChEMBL
333682,CC1CCC2C[NH2+]C(C(C)C1)C2(C)C,0,GDB ChEMBL
140747,NC(=O)C1NC1c1n[nH]c(=O)cc1[O-],0,GDB ChEMBL
184094,CCC12C3CCCC1CC(C)C2CC3,0,GDB ChEMBL
193256,CCC1CC(CC(C)(C)CC)C(C)C1C,0,GDB ChEMBL
362188,N#Cc1c([N+](=O)[O-])c2n(c1C(O)CO)CCN2,1,GDB ChEMBL
193802,COC(C[NH3+])(C(=O)[O-])C(C)OCCC(C)[NH3+],0,GDB ChEMBL
235526,N#CC(N)CC(OC=O)C(=O)NC(=N)N,1,GDB ChEMBL
383920,CCC1C2COC1C(CO)CCC[NH2+]2,0,GDB ChEMBL
383802,NC(=[NH2+])C1C(c2nnn[n-]2)N1CC(N)=O,0,GDB ChEMBL
338973,CCC12CC[NH2+]C1CC(C)C(=O)C(C)C2,0,GDB ChEMBL
260715,C#CC(CO)N(CC=O)C(N)=[NH2+],0,GDB ChEMBL
260551,CCC(C)(O)C1C(C)[NH+]=CNCC(OC)C1C,0,GDB ChEMBL
17346,CCc1cc(Cl)cc(CC[NH2+]C(C)C)c1CO,1,GDB ChEMBL
194232,CCC1=CCC2(C)CC[NH+](CC1)C2,0,GDB ChEMBL
126350,CCCC1C(C)OC2CC21,1,GDB ChEMBL
195534,N#CC1C2NC(=O)OC(C(=O)[O-])C1(O)C2[NH3+],0,GDB ChEMBL
278164,CC1OC(N)=NC1C(=O)NCCC=O,1,GDB ChEMBL
208589,COCCOC(C)C(C=O)C(CC=O)C(N)=[NH2+],0,GDB ChEMBL
181547,CC(N)(C#N)C(O)C1C2CCCC[NH+]1C2,0,GDB ChEMBL
352667,Brc1cc2nc(c1Br)OCC1CCC(C[NH2+]1)O2,0,GDB ChEMBL
75838,CC(OC(N)=O)C1(O)C2NC(=[NH2+])NC21,0,GDB ChEMBL
208240,O=C1NC2C(O)C3C1CC2C1CC13,0,GDB ChEMBL
236647,CNC(=[NH2+])CC(CO)(CC(C)O)OC(N)=O,0,GDB ChEMBL
218539,[NH3+]CC(NC1COC1)C(=O)[O-],1,GDB ChEMBL
7825,Cc1c(F)cc(C(C)O)cc1C1([NH3+])CC1,0,GDB ChEMBL
163880,CC(O)C([NH3+])C(C(N)=[NH+]CCO)C(N)C(=O)[O-],0,GDB ChEMBL
53667,CC[NH+]1CC(C)CC(C)(C)C(C)C2CCCC21,0,GDB ChEMBL
101890,Cc1nc(C#N)c(C=CCCO)o1,1,GDB ChEMBL
226257,CC(=O)NC1CC(CC[NH3+])NC1C#N,0,GDB ChEMBL
140269,Cn1nnc(C([NH3+])CC2(C)CCOC2)n1,0,GDB ChEMBL
38722,CCc1ccoc(=O)scc(OCCCO)c1,0,GDB ChEMBL
99654,NC(=O)NC(=O)C1C2CCC1[NH+]1CC21,0,GDB ChEMBL
208415,N=C1OCC[NH2+]CCC2CC12,0,GDB ChEMBL
292925,CCCC(C[NH3+])C1C2CC1[NH+]1CCN2CC1,0,GDB ChEMBL
120518,CC1=CCC2(COC2)C1CC(C)C[NH3+],0,GDB ChEMBL
148488,CC12C(O)CC3CC1CCCC32,1,GDB ChEMBL
119843,CCC([NH3+])C1CC(OC(C)(C)C)C2(CC2)[NH2+]1,0,GDB ChEMBL
340458,CCCC1CC(C)C([NH3+])CC(C)(C)C1(C)CC,0,GDB ChEMBL
363775,N=C1NCC(CO)Cc2oncc21,0,GDB ChEMBL
301403,CC1(O)C2CC(CO2)C([NH3+])C1O,0,GDB ChEMBL
321796,C=C(CCC)CC1CCCC(=O)N1,1,GDB ChEMBL
271570,CC[NH2+]C(CN)C1C2CC=CCC21,0,GDB ChEMBL
160957,CC=CC(C)=CC1CC2CC[NH+]1C2,0,GDB ChEMBL
305500,CC1=CC2C(CC(O)C[NH+]2C)C2CC2C1=O,0,GDB ChEMBL
66619,C[NH2+]C1CCCC(C)CC2C(C)C2C1,0,GDB ChEMBL
12818,CCCC1CC2C=CC1[NH+](C)C2,0,GDB ChEMBL
189993,C#CCCC1C(CC)CC(C)C(CC)C1CC,0,GDB ChEMBL
233942,CNC(=O)C(C#N)(C#N)C1[NH+]=CNC1C(=O)[O-],0,GDB ChEMBL
189864,CCC1CCOCC=CC=C(C)C1,0,GDB ChEMBL
67873,CC(CNC=O)C(CO)NC(=O)NC(N)=O,1,GDB ChEMBL
19376,CC1OC(=O)OC1OC(C[NH3+])CCCO,1,GDB ChEMBL
362639,CC1(C2C(=O)OC(CO)C2=O)NC1C(=O)[O-],0,GDB ChEMBL
110263,CCC1CCC(=O)CCCC(C)=C(C)C1,0,GDB ChEMBL
683,NS(=O)(=O)CC(=O)NCC=O,1,GDB ChEMBL
26824,[NH3+]C1CC(CCO)CN2C=[NH+]CCC12,0,GDB ChEMBL
379255,COCC1(c2ccsc2)C=C(C)CC1[NH3+],0,GDB ChEMBL
31395,CC#CCC1(C)CCC2CCCC1C2,0,GDB ChEMBL
47401,CCC1CCC2(C#N)CN12,0,GDB ChEMBL
274951,CC1OC(=O)C2COC1C(O)C2,0,GDB ChEMBL
172338,C#CC1CC(O)C([NH3+])C(C([NH3+])COCCO)N1,0,GDB ChEMBL
208398,CCOCC1CCC2(C)C(CC)C12O,0,GDB ChEMBL
292279,N#CC1CCC(O)(C(N)=O)C1,1,GDB ChEMBL
118698,[NH3+]CCNS(=O)(=O)C1C2C[NH2+]CC21,0,GDB ChEMBL
392470,C#CCC1[NH2+]CCCC(C=O)CC1O,0,GDB ChEMBL
121069,CC(c1ccoc1)C1CN1,1,GDB ChEMBL
46038,OCCOCc1cnc2nccn2c1,1,GDB ChEMBL
344349,O=C1NC(CO)C(CO)C1Nc1nc[nH]n1,1,GDB ChEMBL
35995,C[NH2+]C1C(=O)NC(C)C12NC(C[NH3+])COC2=O,0,GDB ChEMBL
197073,CCC1C=CC2CC3CCCC(C3)C12,0,GDB ChEMBL
304070,CC([NH3+])Cc1ncc(CC2CO2)s1,0,GDB ChEMBL
293824,CC[NH2+]C1C2CCCC(C)C1O2,0,GDB ChEMBL
301163,CC1(N)C2C3CCC[NH+](C3)C21,0,GDB ChEMBL
5292,CCC12CCCC3C(C)C[NH+](C)C1C32,0,GDB ChEMBL
33118,CCC(C)(C)[NH2+]CC1C(CS(N)(=O)=O)C1[NH2+]C,0,GDB ChEMBL
227903,CC(=O)CC1C=CCC(O)C1C[NH+](C)C,0,GDB ChEMBL
35340,CC1CC23CC(CN(C)C2)[NH+]1C3,0,GDB ChEMBL
198639,NC(=O)NC1C(O)C(O)C([NH3+])CC12CO2,0,GDB ChEMBL
34291,O=C1CNC2(CCCN1)C[NH2+]C2,0,GDB ChEMBL
184086,CC1CC2OCC(C)C([NH2+]1)C(C(F)(F)F)C2[NH3+],0,GDB ChEMBL
201085,CC[NH+]1CC(C)(C)CC1C1C2C=CC1C2,0,GDB ChEMBL
5024,Cc1n[nH]cc1NCCC([NH3+])C(C)O,0,GDB ChEMBL
310807,Cc1cc(CC(C)C)cocnc(C)c1C=O,0,GDB ChEMBL
111515,CC1(Cc2ccoc2)CO1,1,GDB ChEMBL
358533,CCCC1(CCC)CC(C)CC1CC,0,GDB ChEMBL
151763,CCCCC(C)(C#N)NC(N)=[NH2+],0,GDB ChEMBL
89678,COC(=[NH2+])NCCC([NH3+])C(N)C[NH3+],0,GDB ChEMBL
104936,CC(C(=O)[O-])C1C([NH3+])CC(N)C1[NH3+],0,GDB ChEMBL
8658,C#CC(NC(C)=O)c1cc(N)cc(O)c1,1,GDB ChEMBL
203146,Cc1nc(C(OC(N)=[NH2+])C(=O)[O-])no1,0,GDB ChEMBL
319312,CNCC(C)[NH2+]CCC1CC1,1,GDB ChEMBL
341148,[NH3+]C1CCC=CCC=CCC1,0,GDB ChEMBL
128275,CCC#CCc1cc(COC)nc(Br)c1N,0,GDB ChEMBL
252045,COC1CN2C(C)C2(CO)C1,0,GDB ChEMBL
208284,C#CCCc1cc(C(C)C)c(F)c(C#C)c1F,1,GDB ChEMBL
345703,CNS(=O)(=O)C(=N)Nc1cc(C)nc(O)c1,0,GDB ChEMBL
395930,CCC1C=C(C)CC(C)CC(O)C1C,0,GDB ChEMBL
251844,N#CC12CCCC1C(N)C(=O)N(C(=N)N)C=N2,0,GDB ChEMBL
365679,CC1C=CCCC=CC(=O)C1,1,GDB ChEMBL
246816,NC(=O)C1([NH3+])C=C(CO)CC1,1,GDB ChEMBL
143476,CNC(=O)N(C=O)C(=N)C(C)C,1,GDB ChEMBL
84586,CCOC1C(=O)C2C3CC[NH+](C3C)C2C1(C)C,0,GDB ChEMBL
77731,C[NH2+]C(C(=O)[O-])C(N)C1(C(N)=[NH2+])CC1,0,GDB ChEMBL
51008,[NH3+]C(CN1C=[NH+]CC(O)C1)C1CC1,0,GDB ChEMBL
223497,CC1NC(=O)C2(C[NH3+])OC1OC2CO,0,GDB ChEMBL
187234,[NH3+]CC(NC(=O)CO)C1CNS1(=O)=O,0,GDB ChEMBL
176439,CC(CO)OC(=N)C(C)n1cncn1,1,GDB ChEMBL
17454,NC(=O)C1NC(=O)OC1C(O)C1CO1,1,GDB ChEMBL
31765,CCC1(CC(=O)[O-])NC(=[NH2+])C1N,0,GDB ChEMBL
130483,CCCC(C=O)([NH+]=C(N)N)C1CNC(=[NH2+])NC1,0,GDB ChEMBL
44550,CCC(C)(O)c1cc(Br)c(Br)cc1C(F)(F)F,1,GDB ChEMBL
184911,C#CC12CC(CC)C(C(=O)OCC)C1O2,0,GDB ChEMBL
148208,CC#CC1(NC(C)=O)CNC=C(C(=O)[O-])C1,0,GDB ChEMBL
262529,CCC1=[NH+]C(CO)C(=O)C(C)N1,0,GDB ChEMBL
330747,C#CC1(OC)C2CC(O)C1C(CO)[NH2+]2,0,GDB ChEMBL
398757,CC1CC[NH+](C)C2(CCN(C)CC2O)C1,0,GDB ChEMBL
271550,CC(C)=CCCCC=C(C)C1CC1,1,GDB ChEMBL
388277,C#CC1(CC[NH3+])C[NH2+]CC(C)CC([NH2+]C)C1,0,GDB ChEMBL
131650,CC12CCCOC(C1)CC1(CCC1)C2,0,GDB ChEMBL
346853,CS(=O)(=O)Nc1cc(CO)sc1N,1,GDB ChEMBL
20533,C=CC(C=O)C(=[NH2+])N(C)CCCC,0,GDB ChEMBL
205793,CCC(O)C1C=CC(O)(C[NH+](C)C)C1=O,0,GDB ChEMBL
258339,CC1C2CC2C([NH3+])C(=O)N2CC12,0,GDB ChEMBL
255466,C[NH+](C)CC12NC(=O)CCC1C(O)C2=NO,0,GDB ChEMBL
260563,Cc1cc(Cl)c(C=O)nc1Cl,1,GDB ChEMBL
206820,CC1(C(=O)[O-])C(O)CC2COC21,0,GDB ChEMBL
287353,CCC(=O)C12CNC(=O)OC(C)C1[NH2+]C2,0,GDB ChEMBL
103489,[NH3+]C1C2NCCC([NH3+])(C(=O)[O-])C12,0,GDB ChEMBL
354727,CC(O)C1[NH+]2CCNC1(C)CC2,0,GDB ChEMBL
334049,O=C1C[NH2+]C2CC3(C=CC2CN1)CC3,0,GDB ChEMBL
172774,CC1C2C3C[NH+]1C(CCCO)C32,0,GDB ChEMBL
339273,CC(C)(C)C(=CC[NH+]1CCC1)CO,0,GDB ChEMBL
34956,CC([NH3+])C(O)C1(O)C[NH2+]CCC1(C#N)N(C)C,0,GDB ChEMBL
141966,C=C1C=C(CCC(=O)[O-])NS(=O)(=O)C1,0,GDB ChEMBL
118491,CC1CCNS(=O)(=O)CC1(O)C#N,1,GDB ChEMBL
320737,CCCNC(=O)c1cc(COCCO)c(N)[nH]1,1,GDB ChEMBL
84217,CNC(C(=O)CO)C1OC1CS(N)(=O)=O,0,GDB ChEMBL
244349,O=C1NC(CO)C2NC(=O)C(N1)C2O,0,GDB ChEMBL
274351,CCNC1=[NH+]C(CN)CC1(C)C(=O)OC,0,GDB ChEMBL
375899,C=CC(C=C)C(=O)N1C=C(C)CC1,1,GDB ChEMBL
204479,O=C1CS(=O)(=O)NCC(O)C(O)CO1,1,GDB ChEMBL
210767,CC1C(O)CC2C(C)(C)C(CO)[NH2+]C12C,0,GDB ChEMBL
318350,NC1=[NH+]CC(C(F)(F)F)CN1,0,GDB ChEMBL
266446,C#CCCC(C)CC1CCC2CCCC(C1)O2,0,GDB ChEMBL
78297,C[NH2+]C(C=O)CC1COCO1,1,GDB ChEMBL
224025,CNc1nc2cc(NC(=O)CCO)cnc2s1,1,GDB ChEMBL
189988,CCC1C(C)[NH2+]C(C2CCC2)C1CCOC,0,GDB ChEMBL
47208,CC(=O)NCc1[nH]c(=O)n(C(N)=O)c1[O-],0,GDB ChEMBL
33526,CC1NC1(C)CC(N)=O,0,GDB ChEMBL
259332,CN1CC2COC(OCC[NH2+]2)C1C#N,0,GDB ChEMBL
47216,COc1sc(CC(C)(C)[NH2+]CCO)cc1C=O,0,GDB ChEMBL
133159,NC(CNC(=[NH2+])NCCO)C(O)C[NH3+],0,GDB ChEMBL
334091,COC1=NCC2C(N)C([NH2+]CCC(N)=O)CN12,0,GDB ChEMBL
261191,NC(=[NH2+])C12CC3C[NH2+]CC(C1)N3C2,0,GDB ChEMBL
304321,CCC#CCC(C)CCCO,1,GDB ChEMBL
203225,[NH3+]CCOC1C(C(=O)[O-])=CCC12CO2,0,GDB ChEMBL
29240,NC(=O)C(OCCO)C([NH3+])CO,1,GDB ChEMBL
324066,CC(C)CC1C(C)CC2(C)COC1(C)C2,0,GDB ChEMBL
352165,C#CCC(C=CC[NH2+]C)=CCCC,0,GDB ChEMBL
277764,C#CC1CC(O)(C(=O)C(N)=O)C(C#N)N1,0,GDB ChEMBL
225082,Cc1cnc(C2C3CCC2C3)cc1C,0,GDB ChEMBL
42593,CCCC1(c2cccc(I)c2)CCCC1,1,GDB ChEMBL
171317,CC(C)(C(=O)[O-])C(=O)OCCNCC#N,1,GDB ChEMBL
184112,CCC(C)C(CC)C1OCC=CC1C,0,GDB ChEMBL
148200,CCC1CCCC2CC(O)CC2C1(CC)CO,0,GDB ChEMBL
236550,CCCC#CCCC(C)CC(C)CCC,1,GDB ChEMBL
330565,C#CC(C#N)NCC1(C)CC(CCC)CC1C,0,GDB ChEMBL
189745,C[NH+]=C(N)CC1(OC)COC(=O)C1C(C)O,0,GDB ChEMBL
304345,NC1(C[NH2+]CC(O)C(=O)[O-])CN(C=O)C1,0,GDB ChEMBL
227605,C[NH+]1C(CN)CC(O)C1C1CCCC1,0,GDB ChEMBL
205802,CCC1(C#N)C(C)CCC1(C)C[NH2+]C,0,GDB ChEMBL
236679,CC(C)(C)[NH2+]CCc1cc2c(cc1Cl)CCC2,0,GDB ChEMBL
8683,[NH3+]C1CC2C(CO)OC1C1CC=CCCN21,0,GDB ChEMBL
17495,CCCCCC1(C)C(C)C1(C)C,1,GDB ChEMBL
305793,CC1CN=COC(=O)N1,1,GDB ChEMBL
300702,COCC([NH3+])c1csc(C([NH3+])CCC(C)C)c1,0,GDB ChEMBL
295913,C#CC(=O)CCCCCC(C)c1ccccc1,1,GDB ChEMBL
173172,CCCC(C)(C)C(=O)NC1(C(O)CC)CC1,1,GDB ChEMBL
321936,CCC(CC)C1CCCC2C(C)CC(C)CC21,0,GDB ChEMBL
26328,C1#Cc2ncccc2C2CC(CC1)C2,1,GDB ChEMBL
77337,C[NH2+]C1CC[NH+]=CN(C)CC(C)(C(O)CO)C1,0,GDB ChEMBL
308324,CC(C)C([NH3+])C1C(O)C1[NH2+]CCO,0,GDB ChEMBL
217661,CC1CC(C(N)=O)C2NC3C[NH+](C3)C12,0,GDB ChEMBL
81031,CC1Cc2cc(Cl)ccc2C1(C)c1ccoc1,0,GDB ChEMBL
214714,CC1CC2[NH2+]C1C1CCCCCC21,0,GDB ChEMBL
249622,CC(=O)OCC(=O)NC1=C(C)CC([NH3+])C1,0,GDB ChEMBL
281034,CCc1nc(N)ccc(CO)csc1[N+](=O)[O-],0,GDB ChEMBL
339017,CC1C2C(O)C(C(=O)[O-])[NH+](C)C12,0,GDB ChEMBL
28306,NC(=O)N1CCC2CC(C2)c2ccc(s2)C1,1,GDB ChEMBL
245550,C[NH+]1CC2C(CO)C1C(C)(O)C2OS(N)(=O)=O,0,GDB ChEMBL
103423,CCC[NH2+]CCCC(C)(C)OC(=N)C(=N)OC,1,GDB ChEMBL
118144,CC1CCC2C(O)CCCC[NH+]2C1,0,GDB ChEMBL
375688,C#CC1CCCC(C)(C)CC(CCCC)C1C,0,GDB ChEMBL
330793,CC([NH3+])C(CO)CC(C#N)CO,0,GDB ChEMBL
365789,Cn1cncc1NC(=O)CO,1,GDB ChEMBL
247634,C#CCC(C)(C(C)=O)N(CC)c1ccn(C)n1,0,GDB ChEMBL
29781,C#CC1OCCC(C)(C)CCCC(C)C1CC,0,GDB ChEMBL
361832,C=CCC(NC=[NH2+])C(N)CC[NH2+]C,0,GDB ChEMBL
181507,CCC1[NH2+]CC2C(COC)C(C)CC12,0,GDB ChEMBL
339030,CCCC1(C)CC(C)C(CO)([NH+](C)CC)C1N,0,GDB ChEMBL
336023,CCCC#CC(C)(O)CC1(CC[NH3+])CC1,0,GDB ChEMBL
317209,C[NH+]1CCCNC2C(=N)OC2(C)C1,0,GDB ChEMBL
367775,COCC1C[NH+](C)CC(O)(COC)C(C)N1,0,GDB ChEMBL
17527,C[NH2+]C(C)(CO)C(O)C(C)(C)CC(C)=O,0,GDB ChEMBL
104665,Cc1c(O)c(N)c(F)c(N)c1C#N,1,GDB ChEMBL
292945,NS(=O)(=O)CC1C(O)C(C(=O)[O-])N2CC12,0,GDB ChEMBL
309676,CCN1CC(N)(C[NH+](C)C)C1,0,GDB ChEMBL
204210,N#CCNC(C(N)=[NH2+])C(N)=[NH2+],0,GDB ChEMBL
281662,[NH3+]CCC1NC2(COC2)CC1[NH3+],0,GDB ChEMBL
38198,CC(=O)C1CN2CCCC(C2C)N(C)C(N)=[NH+]1,0,GDB ChEMBL
382101,CC1=CC=C(C(C)C)CCCC(C)CC1,0,GDB ChEMBL
326472,COCC1(C#N)CC(CO)(NS(C)(=O)=O)C1,1,GDB ChEMBL
208386,C#CC1C(O)CC2(C)C([NH2+]CC)CNC(=O)C12,0,GDB ChEMBL
104498,CN1C(C2CCCC[NH2+]CC2)=[NH+]CC1C#N,0,GDB ChEMBL
43579,CC12COC(OC(=O)[C-]1C#N)C2[NH3+],0,GDB ChEMBL
271845,CC1CNC(=O)C(C(C)[NH3+])N1,0,GDB ChEMBL
192580,CCc1sc(N(C)C(C)CC)c(N)c1C[NH2+]C,0,GDB ChEMBL
301209,NS(=O)(=O)CC1C(O)CC2C1N2CC[NH3+],0,GDB ChEMBL
263396,COCCN=C(C#N)[N-]C=O,0,GDB ChEMBL
393906,Cc1cccc(CC2C[NH+]3CC(C3)C2C)c1,0,GDB ChEMBL
382131,CCC1(C)C2CCC1(C)C(C(C)(C)C)C2,0,GDB ChEMBL
162950,CCc1cc(Br)nc(C)c1C1=CCCC1,1,GDB ChEMBL
120526,N#CC(N)CC1CC(O)C(CO)[NH2+]1,0,GDB ChEMBL
252730,[NH3+]CC(CO)CC1([NH3+])CC1,0,GDB ChEMBL
85028,CC#CC1C(=O)CNCC1O,0,GDB ChEMBL
48726,[NH3+]CC1CCC2[NH2+]C2C(CO)C1,0,GDB ChEMBL
297026,COC(=O)C(C#N)(CCC(=O)[O-])N=C(N)N,0,GDB ChEMBL
148769,CCC1CCCC2CCCCC(C)C2(C)CC1,0,GDB ChEMBL
354454,C#CCC(=N[O-])C1c2ccc(N)cc2C[NH+]1C,0,GDB ChEMBL
111927,CCC(C)CC1C=C(C(C)=O)C2(CCC2)C1,0,GDB ChEMBL
387087,CC1=CCC(CC(C)C)([NH+](C)C2CC2)C1,0,GDB ChEMBL
352830,C=CCC(C)C(=C)CCCC=CC,1,GDB ChEMBL
395655,C#Cc1cc(Br)cc(CC(C#C)CC)c1,1,GDB ChEMBL
124745,CC[NH+]1CC2C=CC(C1)C2CC(C)(C)O,0,GDB ChEMBL
254244,C[NH+](C)C1C=CC2(C(=O)[O-])C(O)C2C1,0,GDB ChEMBL
307566,CCC1(C(N)=O)CN(CCOS(N)(=O)=O)C1,1,GDB ChEMBL
204197,CC1(CO)C=C2C(CC[NH3+])CCC2[NH2+]1,0,GDB ChEMBL
362555,CC[NH2+]C1C(C)=CC(O)C1C,0,GDB ChEMBL
107632,COC(C)(C)c1cc(C(C)=O)ccc1F,1,GDB ChEMBL
260725,N#CC1NCCC1CC(O)CCO,1,GDB ChEMBL
225452,CN=C1NC(=O)C2OCOCC(O)CN(C)C12,0,GDB ChEMBL
83535,CN1CC(=[NH2+])N(C)CC(OCC(=O)N(C)C)C1,0,GDB ChEMBL
366932,CC(CO)C(C[NH3+])C(O)c1cnc(O)cc1O,0,GDB ChEMBL
17326,CCC1CCCC2CC1C(C)C2CC1CC1,0,GDB ChEMBL
11710,CC1CC(CC2CC2)C(C(C)[NH3+])C1,0,GDB ChEMBL
201490,CCC1=C(c2ncc(Cl)cc2N)C(C)[NH2+]C1,0,GDB ChEMBL
147915,NC(=O)c1cnn2c(O)nccc12,0,GDB ChEMBL
155789,CC1C(O)C1C(CCS(N)(=O)=O)C(N)=O,0,GDB ChEMBL
46016,CCCC1=CC(C)(C)c2cccc(F)c21,1,GDB ChEMBL
147246,CC(=O)Nc1cc[nH]c(C)c(O)nc(O)c1N,0,GDB ChEMBL
277081,CCC1CC2C=CCC(C)C1[NH2+]C2,0,GDB ChEMBL
64316,[O-]c1cc(F)cc2oncc12,1,GDB ChEMBL
23616,C#CC1(C)C[NH+](CC(=O)[O-])CC2(CC2)O1,0,GDB ChEMBL
122821,CC1(O)COC(=O)C(O)C1[NH3+],0,GDB ChEMBL
273796,CCC(COC)OC(C#N)CN,1,GDB ChEMBL
385619,CC1CCCNC(C#N)C1C,1,GDB ChEMBL
107050,[NH3+]C(CO)CCC(O)c1cscn1,0,GDB ChEMBL
267944,CC(C)CNc1cccs1,1,GDB ChEMBL
170276,C[NH+]1CC=C(CC(C)(C)[NH3+])C1,0,GDB ChEMBL
391345,CNC(=O)NC(=N)C(N)C[NH2+]C(C)CO,0,GDB ChEMBL
263406,CNC(=O)Cc1cnc(=O)c2c(c1)CCCC2,0,GDB ChEMBL
373994,C[NH2+]CC(N)C1NCC([NH3+])(CC(=O)[O-])C1O,0,GDB ChEMBL
243360,CC(O)CC(C)NCc1nn[n-]n1,0,GDB ChEMBL
274835,[NH3+]C12CC3(CO3)C(C(=O)[O-])C(NC1=O)C2O,0,GDB ChEMBL
18331,C[NH2+]CC(CC1CC1)C1CCC1,0,GDB ChEMBL
391823,C#CCCCCc1cc(C)c(F)c(C(C)C)c1,1,GDB ChEMBL
201146,C#CC1CC2(CC)CC(C)[NH+]1C2,0,GDB ChEMBL
217089,CCC1CC=CCCC(C)OCC1,1,GDB ChEMBL
176505,Fc1cc(F)cc(C23CCC(C2)C3)c1,1,GDB ChEMBL
221965,C[NH2+]C12CC(CC(C(O)CC(=O)[O-])C1)NC2=O,0,GDB ChEMBL
119922,[NH3+]C1(C(=O)[O-])C2OC2C(O)C1C(=O)[O-],0,GDB ChEMBL
346535,COC(=O)N1CC2C(C)=CC(C)(C)CC21,0,GDB ChEMBL
115181,[NH3+]CC1CC12C=CCOC(CO)C2,0,GDB ChEMBL
125602,CN1C(C(N)=[NH2+])COC(=O)C(C(=O)[O-])C1C#N,0,GDB ChEMBL
89326,CC(CCC[NH3+])C1=CC[NH2+]C1,0,GDB ChEMBL
103399,CN(CC1CC1)C(=[NH2+])C(=NO)C(C)(C)C,0,GDB ChEMBL
200708,CCc1c(C(C)[NH3+])cccc1C(C)(C)C,0,GDB ChEMBL
113624,CC1=CCc2cnc(nc2N)C2CC2CC1,0,GDB ChEMBL
292533,C[NH2+]C1CCCOC(C(N)C#N)C1(O)C(C)C,0,GDB ChEMBL
58516,N=C1NC(=O)C(O)C2C(C(=O)CO)N12,0,GDB ChEMBL
59213,CCOC1(c2ccccc2Cl)C2CCCC21,1,GDB ChEMBL
94693,CCN(C(C)=O)C(=NC)C1C=C(C)CO1,0,GDB ChEMBL
317709,CC[NH+]1CC(C)(CO)C1,0,GDB ChEMBL
103880,CC1C(O)CC(O)C1OC(N)=O,1,GDB ChEMBL
132480,CC12CC([NH3+])C(CC([NH3+])C(=O)[O-])C1(C#N)N2,0,GDB ChEMBL
38574,CC(C)C1(C(=O)CC(F)(F)F)CCC1,1,GDB ChEMBL
391774,C[NH2+]CCOCC(O)c1cnsc1,1,GDB ChEMBL
13778,CC1CCCC(CC2CCC2)O1,1,GDB ChEMBL
95936,CCC1CCCC(C)C(C)(C(C)CC)C1,0,GDB ChEMBL
46909,Fc1cc2c(c(C3CC=CC3)c1F)OCO2,1,GDB ChEMBL
228427,Cc1ccc(F)c2c1C1CC(C=O)C=C1C2,0,GDB ChEMBL
195222,CC(C)CNC1=[NH+]CCO1,0,GDB ChEMBL
134737,CC1CC[NH2+]C2C(=O)C(C1)C2CO,0,GDB ChEMBL
349971,CCC1C(COC)C2CC(C)C1C2C,0,GDB ChEMBL
35462,C#CCCN(C)c1c(I)ccc(CCC)c1I,1,GDB ChEMBL
149362,CCc1ncc(F)c2c1CCC1(C)CN21,0,GDB ChEMBL
235509,CCn1c(C)cnc1OC(=O)NC(=O)C(=O)[O-],0,GDB ChEMBL
41306,CC1([NH3+])CC(C(N)=[NH2+])C(C(=O)[O-])C1O,0,GDB ChEMBL
196748,CC1CCC(C(F)(F)F)CC1,1,GDB ChEMBL
10956,COC1C2=CCCC2(C)CCC1CO,0,GDB ChEMBL
210220,N#CCc1ccccccnc(C[NH3+])c1CO,0,GDB ChEMBL
235585,CC(C)=CC(CCC=O)C(F)(F)F,0,GDB ChEMBL
219514,CCc1nn(CCN=COC)c(C(C)C)c1C,1,GDB ChEMBL
140752,CC#CC1([NH+](C)CC)CC(C)=CC(OC)C1,0,GDB ChEMBL
247566,C1=CC2(C=CC1)CC2c1ccsc1,1,GDB ChEMBL
255346,Cc1ccc(F)c2c1C1CC=C(CC=C2)C1,0,GDB ChEMBL
214446,CC1C(C(=O)[O-])C2COCC(C)(C#N)C1[NH+]2C,0,GDB ChEMBL
48508,CC(C)C1(C(=N)NC(=O)CO)CCC(N)=[NH+]1,0,GDB ChEMBL
189819,CCC(O)C1C2CCOC1c1c(Cl)ncnc12,0,GDB ChEMBL
127239,CC1CC2(C)CC(=O)CC1(CO)N(CC#N)C2,0,GDB ChEMBL
202834,C#CCCC1C=CCCC(CC(C)(C)C)C1,1,GDB ChEMBL
4724,O=CNc1cccc(O)c1Cl,1,GDB ChEMBL
347882,CCC1C2C[NH+]=CN2CC2OCC[NH+](C)C21,0,GDB ChEMBL
147538,NC(=O)NC(CO)C1C(O)C1O,0,GDB ChEMBL
19627,CC1CC2CC(C)(C)C(NC2=O)C2CN12,0,GDB ChEMBL
372541,CCCCCC(C)(CC)CC#CCCO,1,GDB ChEMBL
38469,CCn1c(C(=O)[O-])c(O)cc(N)c1=[NH2+],1,GDB ChEMBL
152045,CC[NH+]1CC2(C[NH3+])C(O)C(CO)COC2C1C,0,GDB ChEMBL
245841,CCCC(C)C1CC2CC2C1C[NH3+],0,GDB ChEMBL
119398,CCC[NH2+]CC1C=CCC1C1CC1,0,GDB ChEMBL
53270,CC(C)(C)C1C=CC2(CO)CCC(=O)N12,0,GDB ChEMBL
45096,CCCc1c(C)ccc(C2CC2)c1F,1,GDB ChEMBL
358809,CC1CC(C(=O)[O-])=C2C(C)C([NH3+])CCC21,0,GDB ChEMBL
338601,CC(C)(O)C1[NH2+]CCC2CC21,0,GDB ChEMBL
149388,CC1(CC(CO)CC[NH3+])CC=CCC1,0,GDB ChEMBL
84437,COCC1(C=O)C(O)C1O,0,GDB ChEMBL
141983,CC(=O)C1(CCC(=O)[O-])CNS(=O)(=O)O1,0,GDB ChEMBL
170264,CC1CNC(=O)C(O)C(S(N)(=O)=O)O1,0,GDB ChEMBL
246812,C#CCC(C#C)(CCCC)COCC(C)(C)O,1,GDB ChEMBL
308201,COCC1OCC2C[NH2+]CC(=O)N(C)CC1N2,0,GDB ChEMBL
192599,CC(N)=[NH+]CCC#Cc1ncccc1O,0,GDB ChEMBL
284292,CC(=O)CC=Cc1cnc(C)cn1,1,GDB ChEMBL
39994,NC(=O)NC12CS(=O)(=O)N3CC(O)CC1C32,0,GDB ChEMBL
197474,CCC(C)C1CCCC2CC3CC3C21,1,GDB ChEMBL
68622,C#Cc1cccc2c1C([NH3+])C(C)(C[NH3+])N2,0,GDB ChEMBL
342402,CC1OC(OC(N)=O)C2C(O)C([NH3+])CC12,0,GDB ChEMBL
26986,CN1C(=O)C2(C)C3C1CCN32,0,GDB ChEMBL
130642,CC1C(O)CCCC2OC21,1,GDB ChEMBL
333667,N#CC12CCC(NC(=O)O1)C(O)C2N,0,GDB ChEMBL
115917,CC[NH+]1C2C3CC2C2CC3C21,0,GDB ChEMBL
84451,CCC1(OCCC(C)C)COCCC[NH+](C)C1,0,GDB ChEMBL
251018,CC(C)C(=O)CC1(C)CCC1,1,GDB ChEMBL
203275,CCCOCCC1CC1N(C)C(C)=O,1,GDB ChEMBL
300150,CC1(C)C=C(CO)C[NH2+]C2CC2C1,0,GDB ChEMBL
245846,Nc1nc[n-]c(O)nc2cccc(O)c2n1,0,GDB ChEMBL
249814,CC1CNC(=N)C(=O)N1C(N)=O,1,GDB ChEMBL
274067,CC#CC(=[NH2+])NC(CC[NH2+]C)COCC,0,GDB ChEMBL
61845,CC1C2CC3NC(=O)C([NH3+])C2C31,0,GDB ChEMBL
133940,C#CC[NH2+]CCn1cc(Br)nc(N)c1=O,0,GDB ChEMBL
160027,CC#CC1(N)CC[NH+]2CCCC21,0,GDB ChEMBL
262263,COC(=O)C(N)c1cc([O-])nc(=[NH2+])[nH]1,1,GDB ChEMBL
272576,NC1C([NH3+])C1(O)CC1NC(=O)OC1CO,0,GDB ChEMBL
32023,C[NH2+]C(CC1(C)CCCO1)C(=NO)C(=O)[O-],0,GDB ChEMBL
195380,COC(C(N)=O)C(C)(CC#N)CS(=O)(=O)[O-],0,GDB ChEMBL
354575,CC(O)C1C(OC(N)=O)OC(=O)C1N,0,GDB ChEMBL
84264,CC1CC1C(=O)c1ccc2n1CCC2,1,GDB ChEMBL
344268,COCC(=O)C1CCNCC(=O)C1,0,GDB ChEMBL
358557,C#CC1CC(C)=CCCCC1OCC,0,GDB ChEMBL
260558,CC1=CC2OC1C(C)(O)CCC(=O)C2(C)C,0,GDB ChEMBL
395924,CC1NCC(=O)OC(=N)CC1CO,0,GDB ChEMBL
351171,CCC(=O)N(C)CC1(C=O)CCC(=N)NC1=O,0,GDB ChEMBL
194413,CCc1cc(F)c(CC2CO2)c(C)n1,1,GDB ChEMBL
384862,C[NH2+]CCC1C(C=O)C1OC(N)=O,0,GDB ChEMBL
132732,CC(C)Cc1oc(CC([NH3+])C(N)=O)nc1O,0,GDB ChEMBL
86716,O=C1Nc2cncnc2C=CC2NC2C1O,0,GDB ChEMBL
383069,C#CC(O)(CC)C1CC(OC)C1,1,GDB ChEMBL
6132,CCOc1cccc(I)c1C1(C)CO1,1,GDB ChEMBL
38208,CCN1C(=O)C(=O)NCC(=O)C(CO)C1=O,0,GDB ChEMBL
263426,C#CC[NH2+]CCC#CC(N)=O,0,GDB ChEMBL
104736,C=CC1(C(C)=CC)CCCCC1C,0,GDB ChEMBL
318026,CCNC(C(N)=[NH2+])C(C)O,0,GDB ChEMBL
71246,CC1CC[NH2+]CCCCOC1,0,GDB ChEMBL
322937,CC1=C2CCC(CC2)COC(=O)CNCC1,0,GDB ChEMBL
65922,C[NH2+]C1(CN(C=O)C(=O)CC(=O)[O-])CC1O,0,GDB ChEMBL
338837,CC(C(=O)[O-])C1(CO)N=C(N)OC(C[NH3+])C1N,0,GDB ChEMBL
260714,CC#CC1CC2=CCCCC2C[NH2+]1,0,GDB ChEMBL
385624,COc1nsc(C)c1NC(N)=O,1,GDB ChEMBL
323973,[O-]c1cc(CO)cc2cnoc12,0,GDB ChEMBL
150119,NC(=O)C(O)CC(C[NH3+])c1cnn[nH]1,0,GDB ChEMBL
83525,[NH3+]C1C(C(=O)[O-])CC2[NH2+]CCC(O)C21C(=O)[O-],0,GDB ChEMBL
315158,CN1C(=O)[N-]S(=O)(=O)C(CN)C1(C#N)C#N,0,GDB ChEMBL
248907,COc1c[nH]c(=[NH2+])cc1S(N)(=O)=O,1,GDB ChEMBL
165597,NC(=O)C1NC(=O)OC2(C(=O)[O-])COC12,0,GDB ChEMBL
107850,CC([NH3+])C1C(C)OC(CO)C1C(N)=[NH2+],0,GDB ChEMBL
194733,CCC(C)[NH+]1CC(C2CCO2)C1,0,GDB ChEMBL
368502,C#CC1C2CC[NH+]1C(C)CCC1CCCC2C1,0,GDB ChEMBL
304431,CNCC(=O)OCC([NH3+])C1CN1,0,GDB ChEMBL
204678,CN(C(CC#N)C(N)=O)S(=O)(=O)CN,1,GDB ChEMBL
356514,CNC(=O)C(C)C(O)C1CC1,1,GDB ChEMBL
260193,CCC(CC#N)C1C[NH+](C)C2(CCOCC2)C1,0,GDB ChEMBL
207010,C#CCCCCC1CC=CCC1CC,0,GDB ChEMBL
365676,CC(C)(C)CCCC1C=CCC2CC2[NH2+]1,0,GDB ChEMBL
325216,CCCC1C(C)C2CC1(C)C(CC)C2C(C)[NH3+],0,GDB ChEMBL
134418,COCCC(O)(C[NH3+])CC1OC1CC(N)=O,0,GDB ChEMBL
390484,NCC(=O)NC(=O)C(O)CC(N)=[NH2+],0,GDB ChEMBL
300217,CC#Cc1ncc(CCCO)c(Cl)c1C=O,1,GDB ChEMBL
225484,COCC(O)C1CC2C[NH2+]C21,0,GDB ChEMBL
78602,CCS(=O)(=O)NCCNC1=NCC(=O)N1,1,GDB ChEMBL
45029,C[NH2+]CC(CC[NH3+])(Cc1nc(C)cs1)NC=O,0,GDB ChEMBL
296273,CC(NC1CCC1(N)C#N)C(=O)NC(N)=O,1,GDB ChEMBL
348584,COC(C[NH3+])C1(C#N)CCCC1,0,GDB ChEMBL
61939,CC1CC2CC[NH2+]CCC1(CO)O2,0,GDB ChEMBL
298958,CCN=c1nc(CCC(=O)OC)cno1,0,GDB ChEMBL
66608,CC(C)C(C)Oc1c(F)c(F)cc2ccoc12,1,GDB ChEMBL
283280,CCc1nc(C)nc2cnoc(=O)c12,0,GDB ChEMBL
312207,CC1CC(C)N(C(N)=O)C1C(N)=[NH2+],0,GDB ChEMBL
87103,NC(=[NH2+])c1nnc(N)c2nc(N)ccc12,0,GDB ChEMBL
232115,C[NH2+]CC12C3CCC1C2(C#N)C(=O)N3,0,GDB ChEMBL
132210,CC(O)C(NC(N)=O)C1OC(CO)C1=NO,0,GDB ChEMBL
259403,O=C1NC2C(CO)[NH2+]C1C2OCCO,0,GDB ChEMBL
151103,COC(CO)(C[NH+]=C(N)N)CC(N)=O,0,GDB ChEMBL
50086,COC1CC2C(C)CC3(C1)CC23,0,GDB ChEMBL
215265,CCC(C)C1CC[NH2+]C2CC2C1,0,GDB ChEMBL
277802,CCOC(C)(C)CC1[NH+]=CN(C)C1CC,0,GDB ChEMBL
266252,O=CC(Cc1cnc[nH]1)N1C=NCCN=C1,0,GDB ChEMBL
102273,CC1OCOCCC([NH3+])CNCCOC1=O,0,GDB ChEMBL
205949,COCCNc1c(F)cc(C)c2c1CCC2C,1,GDB ChEMBL
103945,CC1CC1NS(=O)(=O)CCC(N)=O,1,GDB ChEMBL
250554,CNC(=O)C(=O)c1cc(C(C)(C)O)cc(I)n1,1,GDB ChEMBL
122681,C#CC([NH2+]CC=CC(C)C)C(C)C,0,GDB ChEMBL
62052,CC1OCC2(C(C)CC#N)CC1C(=O)O2,0,GDB ChEMBL
246830,CCCC(CC(C)C[NH3+])C1COCCC(C)C1,0,GDB ChEMBL
112535,CCCC12C[NH2+]CCC1C(C)C1CCC2(C)C1,0,GDB ChEMBL
33336,CCN(C(C)=O)c1cc(CCO)cnn1,1,GDB ChEMBL
317168,C#CCC1C2N(CC#C)CCCC[NH2+]C12C,0,GDB ChEMBL
95511,C[NH2+]CC1NC(=N)S(=O)(=O)[N-]C1=O,0,GDB ChEMBL
191365,CC#CCC(O)CC=O,1,GDB ChEMBL
203441,C#CC(O)CC(C(=O)CC(C)C)[NH+]1CCCC1,0,GDB ChEMBL
3998,CC1(C(=O)[O-])NC1CC(=O)[O-],0,GDB ChEMBL
97150,CCCC(C)N=C1CCCO1,1,GDB ChEMBL
330797,CC1OCCC(=NO)C2C=CCN2C1=O,0,GDB ChEMBL
273791,CCC1C(C)CC(C)([NH3+])C12C(C)CCCC2C,0,GDB ChEMBL
60998,C#CC1CCCC(=C)C(=O)N1CC,1,GDB ChEMBL
342373,CCc1nc2c(c(C)c1F)CC(=[NH2+])NCCC2,0,GDB ChEMBL
386448,Fc1cc(C2=CCCC2)cc2ccccc12,1,GDB ChEMBL
81601,C#CCCCCC(C)Nc1cccnc1C#C,1,GDB ChEMBL
127286,CCCC(C)(C)OC1Cc2c[nH+]c(C)n2C1,0,GDB ChEMBL
203774,CC1C[NH2+]C2C(C)CCC(C)(O1)C2O,0,GDB ChEMBL
40295,N=C1NC(=O)C([NH3+])C2CC2N1,1,GDB ChEMBL
317155,CC[NH2+]C1(C)CC(C)=CC2(CC2)C(OC)C1,0,GDB ChEMBL
351430,C#CCCCC(C(=C)C)C(C)CC,0,GDB ChEMBL
310098,C=CC(C)C1COCCC(O)C1O,1,GDB ChEMBL
215420,N#CCC1C(=O)NCC23OC2COC13,0,GDB ChEMBL
344306,Cc1nc(C)c2cnc(Cl)cc2n1,1,GDB ChEMBL
354812,N#Cc1c[nH]c(C#N)c1C(N)=O,1,GDB ChEMBL
215873,CC(=[NH2+])NCC(=O)CS(N)(=O)=O,0,GDB ChEMBL
355372,CCCC1(n2cc(C)c(C)n2)CC([NH3+])C1,0,GDB ChEMBL
398740,CC(N)C(=O)[N-]S(=O)(=O)c1cnccn1,0,GDB ChEMBL
41609,CC(c1ccsc1)C1C2CCC1C(O)CO2,0,GDB ChEMBL
81057,Cc1c(N)nc(N)[nH+]c1CC(O)CC[NH3+],0,GDB ChEMBL
5200,CCCC(C#N)C1CC2CC1(CC(C)[NH3+])C2,0,GDB ChEMBL
305848,CNc1c(C)c(CCC#N)c(Br)[nH]c1=O,1,GDB ChEMBL
194390,CN(C)C(=O)C=CCOC1C[NH2+]C1,0,GDB ChEMBL
94869,CCC(COC)C(C#N)C1(C=O)CC1,1,GDB ChEMBL
228446,CCNC(=[NH2+])c1nc(C(=O)OC)c(C)[n-]1,0,GDB ChEMBL
358919,C#CC1(C)CC(O)C(=O)N1,1,GDB ChEMBL
362347,CNC(=[NH2+])NC1=NC(C(=O)[O-])C(=O)N1,0,GDB ChEMBL
120567,C=C(C)CC12C[NH2+]CCC1C2(C)C,0,GDB ChEMBL
83030,CCc1cc(CC)c(C(C)(C)C)c(C)c1CC,1,GDB ChEMBL
111547,C#CC1(C(=O)[O-])C(O)CC(=O)NC(C)CN1C,0,GDB ChEMBL
31768,C#CC(O)C(O)CC(N)=O,1,GDB ChEMBL
248254,CC1NC2COCCNC(C2O)C1([NH3+])CCO,0,GDB ChEMBL
7773,CNC(=O)C(CO)Oc1nonc1[O-],0,GDB ChEMBL
274062,CNC(=O)CCNc1c[nH]cc1COC,1,GDB ChEMBL
191533,CC(C)CC1CC=CCNC1=O,1,GDB ChEMBL
143204,C#CCCCCCC(C)CC(C)C(C)(C)C#C,0,GDB ChEMBL
82171,CC1(O)CC2C3CCC1C2(C)CC3,0,GDB ChEMBL
294780,CNC(C(=N)N(C)C(C)=O)C1(O)CC1CO,0,GDB ChEMBL
75818,CC(=O)C1C(C)[NH2+]C2CCN(C)C(=O)C(C)C21,0,GDB ChEMBL
275474,CC1CC1CC=Cc1ccccc1,1,GDB ChEMBL
190061,CNC(=O)C1C2CNC(=[NH2+])N2C1S(C)(=O)=O,0,GDB ChEMBL
358908,C1CC(CC2C[NH2+]CC3(CC3)C2)CO1,0,GDB ChEMBL
16776,CC1[NH2+]CC2CC(O)C3C(=O)C4CCCC4C213,0,GDB ChEMBL
37151,NC(=[NH2+])C(NC(=O)C[NH3+])C(O)C1CN1,0,GDB ChEMBL
173154,CC1(C(C=O)C2COC2)CCC[NH2+]1,0,GDB ChEMBL
261405,CC[NH+]1CCC1(CO)C(C[NH3+])N(C)C,0,GDB ChEMBL
81533,O=C1CC=CC2CC1C[NH2+]2,0,GDB ChEMBL
384802,CCCC1NC1(CC[NH3+])C1OCC=CC1C,0,GDB ChEMBL
126615,C#CCC(CCC(C)C)CCC(C)C(C)C,1,GDB ChEMBL
203453,CCCC(C)C(C=O)CC(C)(C)[NH2+]CC,0,GDB ChEMBL
41601,COC(C)C1C2C=CC1(C)C(C)(O)C2,0,GDB ChEMBL
311668,CCCCOC1=NCCC1(C)[NH3+],0,GDB ChEMBL
363536,CC#CC1(C)CCCc2ccc(Cl)cc21,1,GDB ChEMBL
76086,C[NH2+]CC1COC(C)OC(C(C)O)C1O,0,GDB ChEMBL
180831,CCN1CC(C#N)C12CC[NH2+]C2,0,GDB ChEMBL
332675,C#CC(CC=C)C(CCC)C(C)=O,0,GDB ChEMBL
244583,O=C([O-])C1C2C13C(=O)C(O)CC3NS2(=O)=O,0,GDB ChEMBL
271486,CCC(O)C(C)S(=O)(=O)NC(=N)N,1,GDB ChEMBL
61782,C[NH2+]C(C)C(C#N)CCC#N,0,GDB ChEMBL
12869,C#Cc1nc(N)c2[nH]c3c(c2n1)C(=O)CC3,0,GDB ChEMBL
234907,NC(CO)c1snnc1C(=O)NC1CC[NH2+]C1,0,GDB ChEMBL
15591,CC1CC(C2(C(N)=O)CN2)C([NH3+])CC1O,0,GDB ChEMBL
58938,C#CCC1CCCC(C)(C)C1,1,GDB ChEMBL
375747,O=C1CNCCC1C1CC1,1,GDB ChEMBL
387282,C[NH2+]C(C=O)CC(C)(C)CN=COC,0,GDB ChEMBL
313725,CCOc1c(Cl)cc(C=O)nc1N=C(N)C#N,0,GDB ChEMBL
355292,CCc1c(CC(O)C(=O)[O-])nn(C(C)C)c1N,1,GDB ChEMBL
254978,Cn1ccnc1Nc1cc(Br)nc(N)c1O,1,GDB ChEMBL
248659,CCCCc1ccc(C)c(NC=N)n1,1,GDB ChEMBL
263308,CC(=N)OC(CC(=O)[O-])CC1(O)COC1,1,GDB ChEMBL
24734,CCC1CC2CCC=C(C)CC(C)(C1)C2C,0,GDB ChEMBL
227320,COC(C)C1=CC2C[NH+](C2)CC1C(=O)[O-],0,GDB ChEMBL
281146,C=CC(O)CC(CO)COCC#N,1,GDB ChEMBL
294211,Cn1ccc(NC2=[NH+]CCN2)c2ccnc1-2,0,GDB ChEMBL
34927,CC([NH3+])C1C(=O)NC2(CC[NH3+])COC1C2[NH3+],0,GDB ChEMBL
152583,O=C1NC(C(=O)[O-])C2C3CC1OC32,0,GDB ChEMBL
45069,NC(=[NH2+])OC1C(=O)N2CC2C1C(=O)[O-],0,GDB ChEMBL
126973,CCCCN1CC(C[NH2+]C)=C(C(F)(F)F)C1,0,GDB ChEMBL
152526,CC#CC(C[NH3+])c1cnc(C)s1,0,GDB ChEMBL
41131,CN[C-]1C(=O)C(C(N)=O)N=C1NC(N)=[NH2+],0,GDB ChEMBL
262213,C#CC1CC(C)(C)C(O)C(CC(CC)CC)[NH2+]1,0,GDB ChEMBL
230229,CC(C)CCN1C(C#N)C(C)OC(C)C1C=O,0,GDB ChEMBL
29726,COC1CC1[NH2+]CCS(=O)(=O)[O-],1,GDB ChEMBL
375116,C[NH2+]CC1NC2C([NH3+])CC1C2C[NH3+],0,GDB ChEMBL
340523,CC1(C)CC2=CCOC(=[NH2+])NC(CC2O)C1,0,GDB ChEMBL
38188,CC[NH+](C)CCC(C)(C)C#CC(C)=O,0,GDB ChEMBL
301406,CCC1(C)CCC([NH3+])C(OC(C)C)C1C,0,GDB ChEMBL
363246,CC1CC2OC1(C(N)=O)C2CO,0,GDB ChEMBL
164674,CC1OC(CO)C2C(C(N)=O)NS(=O)(=O)C12,0,GDB ChEMBL
301469,C#Cc1cc(I)c(C)c(OC)c1C(=O)CCC,1,GDB ChEMBL
222154,CCC(C)(CC(C)C[NH2+]C)C([NH3+])C(C)CO,0,GDB ChEMBL
234926,[NH2+]=C1NC=C(CC(C[NH3+])C(=O)[O-])CO1,0,GDB ChEMBL
387257,CCC1=CCCC1C12CCC(CC1)C[NH+]2C,0,GDB ChEMBL
313374,C#CCOCC(C)CCC1CC(C)(C)C1,1,GDB ChEMBL
127747,CCC(CC(O)C(O)C[NH3+])S(N)(=O)=O,0,GDB ChEMBL
112800,CC1(C#N)C=CC(C#N)CCC[NH2+]C1,0,GDB ChEMBL
389492,CC(C[NH3+])C1CC1(NC(N)=O)C(O)C#N,0,GDB ChEMBL
273704,C#CCNC(=O)C(C)C(=O)C(C)C(C)=O,1,GDB ChEMBL
8692,[NH3+]C(C(=O)[O-])C1OC2CCC(O)C21,1,GDB ChEMBL
394294,CC(CN(C)CC#N)C1CCCC1,1,GDB ChEMBL
265535,C#CC(CC)C(=CCCCC)CC,0,GDB ChEMBL
286880,CCN1C2COCC21CCO,0,GDB ChEMBL
252303,NS(=O)(=O)CC[NH2+]CCc1c[nH]c(O)n1,0,GDB ChEMBL
263801,CCn1c(C#N)cnc1CC1OC1(C)C,1,GDB ChEMBL
279991,C[NH2+]CC1(C#CCO)CO1,0,GDB ChEMBL
214410,CC(CO)C(O)(CC[NH3+])C(=O)OCC(N)=O,0,GDB ChEMBL
383753,CCCC(CC)n1c(C)c(C)c(CC)c1C,1,GDB ChEMBL
210740,COC(C)C1CCN1C(C)=O,1,GDB ChEMBL
57260,CCn1c(C)c(Cl)c([O-])cc1=O,0,GDB ChEMBL
135377,CC12CC(C(C(N)=[NH2+])CNC1=O)C2CO,0,GDB ChEMBL
305577,CC1(CCCc2cccc(O)c2)CCC1,1,GDB ChEMBL
343212,CC1OCC(C[NH3+])(CCO)N=CNC1=O,0,GDB ChEMBL
249538,COC1C=CCC(C2CC3CC3[NH+]2C)C1[NH3+],0,GDB ChEMBL
378298,CC(C)C1=CCC=CCC=CCCC1,1,GDB ChEMBL
79386,CC#CC1C(C)C(C)CCC1(C)C(C)C,0,GDB ChEMBL
197250,CC[NH2+]CCC1(O)C2CC=C(C)CC21O,0,GDB ChEMBL
366050,NS(=O)(=O)CC(O)C1OCCC1[NH3+],0,GDB ChEMBL
44567,N#CCN=C1NCCN(C(N)=O)CC1=NO,0,GDB ChEMBL
366905,CNS(=O)(=O)C1=C(C)CNC(=O)C([NH3+])C1,0,GDB ChEMBL
8792,CC1OC2C(O)C(C(N)=O)NC(=[NH2+])NC12,0,GDB ChEMBL
332373,CNC(C#N)C(=O)C(C)(O)CC(N)=[NH2+],0,GDB ChEMBL
273795,CC1C#Cc2ccc(s2)CCOC(C)C1,1,GDB ChEMBL
259394,CCCC(CN1CCOCC(=NO)C1=O)=NO,1,GDB ChEMBL
64334,Cc1cn2ccc(Cl)cc2c1CO,1,GDB ChEMBL
66150,CCCNC(=O)OC1CCC([NH3+])C(=O)NC1C,0,GDB ChEMBL
193250,CCOC1(C2CC3C(CC)C3[NH2+]2)CC1,0,GDB ChEMBL
106003,[NH3+]C1(CCC(=O)[O-])CC1n1cnnc1,0,GDB ChEMBL
216551,COC1C[NH+]2CCC3(C)C=CC2C13,0,GDB ChEMBL
51349,C[NH2+]C(CN)C(O)C(=N)N(C=O)CCO,0,GDB ChEMBL
284796,CCN(CC(CC(N)=[NH2+])NCC#N)C(N)=[NH2+],0,GDB ChEMBL
175890,CCOc1cc(C2CC2)c(N)c(I)c1C,1,GDB ChEMBL
307474,CC1CC(C)(Cc2ccccc2Br)C1,1,GDB ChEMBL
303301,COC1C(C#N)N(C)CC1(O)C=O,0,GDB ChEMBL
315232,CC(N)=[NH+]C(CN(C)C(=O)CO)C(O)CC=O,0,GDB ChEMBL
61664,CCCN(C)C(=O)CC(=N[O-])C(C)=O,0,GDB ChEMBL
333649,C[NH2+]C1CC([NH3+])CC2CC2(OC)C1(C)C,0,GDB ChEMBL
290116,CCCCC1CC=CCC1[NH3+],0,GDB ChEMBL
300498,CCN(CC(O)C(N)=O)C(=N)S(=O)(=O)NC,0,GDB ChEMBL
31354,CC12CC(=O)NC(C3CO3)C(O)C1O2,0,GDB ChEMBL
321396,CC12CCC([NH2+]CC1(O)CC[NH3+])C2O,0,GDB ChEMBL
347933,CCN(CC(C)=O)C(=O)CCN(C)C(C)=[NH2+],1,GDB ChEMBL
182090,C#CCC(C)C(C[NH3+])C1(C)CCCC1C,0,GDB ChEMBL
109489,COC1(C(C(N)=[NH2+])C(C)O)C(=O)CCNC1C,0,GDB ChEMBL
285577,CC(C)(O)C1CC=CC2(CC2)C1,1,GDB ChEMBL
5912,C[NH2+]C1CC(O)C2(C)C1C2(C#N)C(C)C,0,GDB ChEMBL
228484,CCOC(C)(CCC(C)C)C(=O)C(=O)C(C)C,1,GDB ChEMBL
11209,CC1=CC(=O)C2CC(C)C(O)C(OC1=O)O2,0,GDB ChEMBL
76453,CCCC1C(CC2CC2)CC2OC21,0,GDB ChEMBL
177210,CC1CCN2C(=O)OCC12,1,GDB ChEMBL
173705,CC[NH2+]C(C)CC1C(=O)CC2OC21C,0,GDB ChEMBL
300566,N#CC1C(O)C2CC([NH3+])C1C2,0,GDB ChEMBL
308144,CC[NH2+]C1(C2CC2)CCC=CC(C)C1,0,GDB ChEMBL
11398,COc1nc(N)nc(C(=O)CCO)n1,1,GDB ChEMBL
362068,CCC1C2CCC(C2)CC1(C)CC1CC1,0,GDB ChEMBL
336043,CN(C=[NH2+])CC(C)(C)C(=O)[O-],0,GDB ChEMBL
141948,O=CC12CC1C(O)C(C(=O)[O-])C(CO)N2,0,GDB ChEMBL
136518,COCC[NH2+]CC1C(=NO)C2CCC(O2)C1C,0,GDB ChEMBL
51076,CC(C(=O)[O-])C1OCCNC1=O,0,GDB ChEMBL
6095,CCC1CCC(C)(C2CC2CC(C)O)C1,1,GDB ChEMBL
18369,C#CC12CCC(C3C[NH+](C)C1CC3C)C2(C)C,0,GDB ChEMBL
83133,O=C1CC[NH+]2CCCC3CC3C1C2,0,GDB ChEMBL
204173,CCc1ccc(CC)c2c(Cl)c(C)cc(C)c12,1,GDB ChEMBL
45016,C=C1C[NH2+]C2COCC=CCC1C2,0,GDB ChEMBL
219501,CC1C[NH+]2CC(O)(CC1CCC#N)C2,0,GDB ChEMBL
258292,OCC1(O)CNCC[NH2+]C1,0,GDB ChEMBL
297291,NC(=O)C12CC([NH3+])C(C1)NCC(O)C[NH2+]2,0,GDB ChEMBL
344398,[NH2+]=C1NCCCN2C(=O)C=CCC12,0,GDB ChEMBL
261231,[NH3+]C1CN(C2CC(CO)NC(=O)C2O)C1,0,GDB ChEMBL
26401,NC(=O)C1CC1(CO)CC=O,1,GDB ChEMBL
342353,CCC(C)C(O)C1C(C#N)N1C,0,GDB ChEMBL
147939,NC(=O)c1cncn2nccc12,0,GDB ChEMBL
139780,CCN1CCOC(COCCO)C(=O)C(=O)C1,1,GDB ChEMBL
73851,C[NH2+]CC1NC(C[NH3+])CC=C(C)NC1=O,0,GDB ChEMBL
119883,CC1C(C)(CCCC#N)C1(O)C(F)(F)F,1,GDB ChEMBL
218334,C#CC1(C)CCCOCC1CCC,0,GDB ChEMBL
71693,C=CC1CCC=CCC=C(C)C1=O,1,GDB ChEMBL
118386,CC1CC2[NH2+]C2CCC(=O)C1CCO,0,GDB ChEMBL
85027,CC(C)NC(=O)C(O)C(C)C,1,GDB ChEMBL
70174,CCc1cc(CCOC)cs1,1,GDB ChEMBL
171275,C=CC1CCCC(CC(C)CC)C1,1,GDB ChEMBL
263984,CC(C1NC1C=O)N1CC(C#N)CC1CO,0,GDB ChEMBL
153225,CC1NCC([NH3+])C(O)C2OC12,0,GDB ChEMBL
41136,C#CC(C[NH3+])C(C)COc1ccc(C)cc1F,0,GDB ChEMBL
249503,Nc1[nH+]cc2n1CC(O)C(=O)N2,0,GDB ChEMBL
157469,O=C1CCNCCC(=O)C1(O)c1nccs1,0,GDB ChEMBL
124892,CC1C=C2CC(=O)CCC2C[NH+](C)CC1,0,GDB ChEMBL
144629,CS(=O)(=O)NCc1c(N)noc1C#N,1,GDB ChEMBL
120390,CCC(C)(C)c1cccc2c1CCC(C)(C)C2,1,GDB ChEMBL
47768,CCC1C2C=CC1C1C[NH2+]CC21,0,GDB ChEMBL
149396,CC([NH3+])CC1CC(CC[NH3+])CC2CC(C)C1O2,0,GDB ChEMBL
116063,C#CC(CC1CCC1)N1CC1,1,GDB ChEMBL
251028,C#CCC(CCC)C1[NH2+]CCC(C)[NH+](C)C1C,0,GDB ChEMBL
12806,C#CC1C2CCCCC(CCC1(C)C)[NH+](C)C2,0,GDB ChEMBL
112789,N#CC1COC(=O)C2NC(=O)C(CC2=O)C1O,0,GDB ChEMBL
104402,CC1(C)C[NH2+]C(CC#N)CC1(C)OCCCO,0,GDB ChEMBL
334362,Fc1cncc(CNc2ccccc2)n1,1,GDB ChEMBL
339076,[NH3+]C1C(O)C(=O)NCC(O)C1(O)C(=O)[O-],0,GDB ChEMBL
378922,Cc1csc(C[NH3+])c1S(N)(=O)=O,1,GDB ChEMBL
155117,CCC1(C)C2C(C)OCC1[NH+](C)C2C=O,0,GDB ChEMBL
211161,C[NH2+]CC1NCc2c1cnn2C,1,GDB ChEMBL
149350,CC1=Cc2cc(C)ccc2CCC=C1,1,GDB ChEMBL
184242,CC#CCC(O)C1CC(C)(O)C(C)CC1[NH3+],0,GDB ChEMBL
382573,N#CC12C=C(CC(=O)[O-])C(=O)N1CC2,0,GDB ChEMBL
362708,CN1CC2CC2(O)C(C[NH3+])OC1=O,0,GDB ChEMBL
397036,NC1C(C([NH3+])CC(=O)[O-])CNS1(=O)=O,0,GDB ChEMBL
47700,CC1=CC2(CC2)C[NH+](CC(=O)[O-])CC=C1,0,GDB ChEMBL
281688,C[NH2+]CCOC(N)=[NH+]CCc1ccn[nH]1,0,GDB ChEMBL
81018,C[NH2+]CCC1C(COC=O)=CCC1C,0,GDB ChEMBL
377301,CC1CC2C[NH+]1CC21CC1,0,GDB ChEMBL
78629,CC1=CC(C(=O)[O-])=CC(C#N)CC1CO,0,GDB ChEMBL
6835,N#CCn1c(=O)[nH]cc(OC2CC[NH2+]C2)c1=N,0,GDB ChEMBL
22821,C#CC(C)OCC([NH3+])C(C)O,0,GDB ChEMBL
129793,CCn1c(C#N)c(N)c(C)c1C(C)=O,1,GDB ChEMBL
328949,C#CCC1C(C)CCC2CC(C)=CC21,0,GDB ChEMBL
281784,CN1CC2C(C(N)C#N)NC(CO)C2NC1=O,0,GDB ChEMBL
68487,NC(=O)C1C2COCCC(O)CC1(CO)[NH2+]2,0,GDB ChEMBL
379864,C[NH+]1CC(CC=O)(CCCC(N)=O)C1,0,GDB ChEMBL
235573,CCC(CC)C1(C)CC(C=O)CCCC1(C)O,0,GDB ChEMBL
223495,CC1CC1(C)[NH2+]CCO,1,GDB ChEMBL
47181,CCC(C(=O)NC)N1CC1,1,GDB ChEMBL
31356,N#CC(O)C1(CO)CCOC1=O,1,GDB ChEMBL
337960,N=C(CC[NH3+])NC(=O)C(O)C[NH3+],0,GDB ChEMBL
218801,Cc1ccc(OC2C[NH2+]CC2N(C)C)cc1F,0,GDB ChEMBL
97137,C[NH2+]CCOC1(C=O)CC1,1,GDB ChEMBL
292536,C[NH2+]CC(N)C(O)C12NC(=O)CC1C2O,0,GDB ChEMBL
236560,Cc1cc(F)c2c(c1)CC(C)(C)CC(C)(C)C2,0,GDB ChEMBL
287363,CC(C(=O)[O-])C1(O)CC(=NO)C[NH+](C)C1C,0,GDB ChEMBL
289262,CC1COCCNC(=O)C([NH3+])CO1,0,GDB ChEMBL
113469,Cc1ccc2c(c1C)OC(C)(C)CNC(=N)O2,1,GDB ChEMBL
99663,CCC12CCC3CC1[NH2+]CCC32,0,GDB ChEMBL
290310,NC1C[NH2+]CCC1(C[NH3+])C(O)C(CO)CO,0,GDB ChEMBL
342379,CC#CC(C)(C)c1cc(CO)ncc1C,1,GDB ChEMBL
248621,CC1C(C[NH3+])CCC([NH3+])CCC(O)C1O,0,GDB ChEMBL
274826,CN(C)C1CC([NH3+])CN(C(=N)C(N)C[NH3+])C1=O,0,GDB ChEMBL
383104,CCOC1C(C)CCC1C(C)C1CNC(=[NH2+])C1,0,GDB ChEMBL
68603,CC(=O)NC1C(O)CC1(C)S(C)(=O)=O,0,GDB ChEMBL
161990,CCC(C=O)(C(=O)CO)C(=O)OC,0,GDB ChEMBL
160958,NC(=O)C([NH3+])C1CC(O)(C[NH3+])C1,0,GDB ChEMBL
256156,CC(CCO)C(C#N)CCC=O,0,GDB ChEMBL
222125,C[NH2+]Cc1nc(NC(C)=O)nccc1=O,0,GDB ChEMBL
311624,NC1=[NH+]CCCCC(O)C1,0,GDB ChEMBL
104363,CN=COC1C[NH2+]CCC1C,0,GDB ChEMBL
352623,CN1CC=C2CCC(C)(O)C2(O)C1=O,0,GDB ChEMBL
101017,CCN1CC(C)([NH3+])CC1C(=O)OCC(N)=[NH2+],0,GDB ChEMBL
306388,C#CCN(C=[NH2+])C(C)CCC1CCC1,0,GDB ChEMBL
265283,CC1CCC2CCCC1C2(C)C,1,GDB ChEMBL
152030,CCC(C)OC1C=CCC1(C)CCCO,0,GDB ChEMBL
288902,COC(=O)N1C=C(C#N)C(C(N)=[NH2+])C1,0,GDB ChEMBL
352814,CCCC1OC2(CC2)C(CO)N2CC12,0,GDB ChEMBL
181588,CC1CCC(C)(CCCCCO)C[NH2+]1,0,GDB ChEMBL
169368,CNC(CO)C1(C#N)CC1O,0,GDB ChEMBL
111489,CCCC1CC2CCC1CCO2,1,GDB ChEMBL
95601,CC1CCC(O)C([NH3+])C2OC12,0,GDB ChEMBL
134811,C#CCC(C)C(C)C(C=C)CCC,0,GDB ChEMBL
59179,CC1CCC(O)(C(C[NH3+])(C[NH3+])NS(C)(=O)=O)C1,0,GDB ChEMBL
9760,COCCc1cn2ncnc2c(C[NH3+])c1[O-],1,GDB ChEMBL
339018,CCCC12CCCC1CC(C)C1CCCCC12,0,GDB ChEMBL
148757,CC1=CC(C)C2(CC2)c2ccc(Cl)cc21,1,GDB ChEMBL
350709,CCCC1C2C=CCC(C)C2CC1C1CC1,0,GDB ChEMBL
33106,C[NH2+]C(CC(N)=O)C(N)C(N)C[NH3+],0,GDB ChEMBL
149964,CC1(C)CC2C=C(C[NH3+])CCCN2C(=O)O1,0,GDB ChEMBL
263214,CCC(C)C#CCCCC[NH2+]C,0,GDB ChEMBL
124888,CC1(C)C[NH2+]CCC1CC1(C(F)(F)F)CC1,0,GDB ChEMBL
19629,C#CCNc1c(C[NH3+])noc1C,0,GDB ChEMBL
294486,CC(CC(O)CC=O)C(O)C(=O)[O-],0,GDB ChEMBL
76738,CCOC1C2CC3CC(C2)C1C3,1,GDB ChEMBL
284793,COC1C[NH+]=C2NC(C)CC21,0,GDB ChEMBL
147875,CC1(O)CCCN2C(C1)C(=O)OC1CC12,0,GDB ChEMBL
38580,C[NH2+]CCOC1CC2=CCCC(C)=CC2C1,0,GDB ChEMBL
227920,CC#Cc1ccc2c(c1O)C(C)C1(CC1)N2,0,GDB ChEMBL
27969,CC12CC1C(=O)C(CNS(C)(=O)=O)N2,0,GDB ChEMBL
133136,C#CCc1c(Cl)ncc(NCC)c1C,1,GDB ChEMBL
148860,Cc1ccc(C(=O)NCC(C)(C)O)cc1N,1,GDB ChEMBL
37130,C[NH2+]C1CC=CC=C(CO)C[NH2+]CC1OC,0,GDB ChEMBL
240003,CCCC(C)(C1=C(CC)CCC1)C(C)C,0,GDB ChEMBL
142376,CC12CC3CCC1C2CC[NH2+]C3,0,GDB ChEMBL
325213,C=CC1CCC[NH+]1CC(=C)C#CC,1,GDB ChEMBL
141947,CC1C=C2CCC2CC[NH+]1CC1CCCC1,0,GDB ChEMBL
173904,CC1CCCCC1C1C2C=CC1C2,0,GDB ChEMBL
316167,CC1=CC(C2(C(N)=O)CC2)OC1,1,GDB ChEMBL
344296,CCCC(C)N(C(C)C)C(C#N)C#N,1,GDB ChEMBL
304085,C#CCCC1(C(C[NH3+])CC(C)(C)C)CC1,0,GDB ChEMBL
130253,CCCCC1C(C)CC2CC(CC2C)C1(C)C,0,GDB ChEMBL
127631,C#CCCCCC(C)C1CC=CC1,0,GDB ChEMBL
33314,CC12CCCNC(C#N)C1C2,0,GDB ChEMBL
200939,CCCCC1(CC)CC2C(C)CC1CC2(C)C,0,GDB ChEMBL
79590,[NH3+]C1CC2C(C1)C21COC1,0,GDB ChEMBL
88121,Cc1cc(NCC=O)cn1C1CC1,1,GDB ChEMBL
299182,OCC[NH2+]CCC1C=CC2C[NH+]2C1,0,GDB ChEMBL
251850,CCC(C)CC1=CCCC2(CCC2)C1,1,GDB ChEMBL
19610,Cc1[nH]cc(C(F)(F)F)c1C(C)(C)CCC#N,1,GDB ChEMBL
126892,CCC1(C)CC(C[NH2+]C)CC2CC2C1C,0,GDB ChEMBL
7369,CC1NC(=O)C=CC12CCC(C[NH3+])O2,0,GDB ChEMBL
61497,C#CCCC1(C)CC=CC=CC=CC1,0,GDB ChEMBL
57256,C#CC1(C[NH3+])C(CCO)C1C([NH3+])C[NH2+]C,0,GDB ChEMBL
271564,CC(C)(C)C(C#N)C(N)C([NH3+])CC[NH3+],0,GDB ChEMBL
184082,CC1CC=C(CC2(C)CCCCCC2)C1,1,GDB ChEMBL
391731,CC1CC2=CCCC([NH3+])C(C)C1CC2,0,GDB ChEMBL
148398,CCCC#CC1CCC(CC)(OC)C1,1,GDB ChEMBL
137401,CCC1CCCCC(C)C(C)CCC1(C)CC,0,GDB ChEMBL
236555,CCC1C[NH2+]C2C(C)C(C)C1C2C,0,GDB ChEMBL
385442,CCCNC(C(O)C(=O)[O-])S(N)(=O)=O,0,GDB ChEMBL
133966,C#CCc1c(C)cc(C)cc1CC1CC1C,1,GDB ChEMBL
214745,C#CCC1(C)CCCC#CCCCCCC1,1,GDB ChEMBL
262305,CCCCNC(CO)S(N)(=O)=O,0,GDB ChEMBL
112550,CNC(=O)C1[NH2+]C2C(C[NH3+])C12,0,GDB ChEMBL
276318,CCCCc1cc(CC)c(Br)c(CC)n1,1,GDB ChEMBL
57312,CC(N=c1ccncnc1[O-])C(=O)[O-],0,GDB ChEMBL
5270,CC1COS(=O)(=O)NC1C(O)C(N)=O,1,GDB ChEMBL
124198,Cc1ccc(=N)occc(O)c(CC(N)=O)c1,0,GDB ChEMBL
224017,CN1CCC2(C)COCC(O)C2(C#N)C1,0,GDB ChEMBL
148235,CC1=CC2(CC2C)C(C)(C)C1CCC[NH3+],0,GDB ChEMBL
87685,CC1(C)CC2Cc3ncc(F)cc3C21,0,GDB ChEMBL
68516,CCC(c1cc(N)ccc1C)C(C)(C)C,1,GDB ChEMBL
307548,CC[NH+](C)CCC1CCC([NH+](C)CC)CN1C,0,GDB ChEMBL
200549,CC(=O)CNc1ccc(O)cc1C,1,GDB ChEMBL
148341,CCCC1C(C)CCC=CC1CC#N,0,GDB ChEMBL
247179,COc1c[nH+]ccc1Nc1c[nH]c(C(=O)[O-])c1,0,GDB ChEMBL
303345,Brc1ccncc1,1,GDB ChEMBL
297017,[NH3+]Cc1noc(CC(CC(=O)[O-])OC=O)n1,0,GDB ChEMBL
282237,CC#CCOc1[nH+]c(C)c(O)c(N)c1O,0,GDB ChEMBL
226227,COCCCCC#CC(=O)C1C[NH2+]C1,1,GDB ChEMBL
222811,[NH3+]CC12CC([NH3+])CC(CC1C(O)CO)C2,0,GDB ChEMBL
53020,N=C(NC(=O)c1cc[nH]c1)Nc1nc(O)cs1,1,GDB ChEMBL
243754,CC(O)C1NC(=[NH2+])OC(C=NO)CC1CO,0,GDB ChEMBL
325210,C#CC(C)(O)C1([NH2+]CC(=O)[O-])CNC(=O)C1,0,GDB ChEMBL
63153,C#CCC(C(C#N)CC)C(C)(C)C1CC[NH2+]C1,0,GDB ChEMBL
350928,Cc1cc2c(cc1C)C(C)C1CC2C1,1,GDB ChEMBL
30322,CC(=O)C1COCCC2CC(C#N)C(C[NH2+]1)C2,0,GDB ChEMBL
279947,CCCC1CC#CCCC(C)CC1C,0,GDB ChEMBL
223551,CCC1(CCO)NS(=O)(=O)CC1CO,0,GDB ChEMBL
112753,C#Cc1cccc(F)c1C(C)C(CC)CC,1,GDB ChEMBL
366717,CC(C)N(CC(O)S(N)(=O)=O)C(=O)C[NH3+],0,GDB ChEMBL
92347,N#CCC1NC1c1cnc(N)s1,0,GDB ChEMBL
352853,CC([NH3+])(CNC(N)=[NH2+])CC1C(=O)OCC1O,0,GDB ChEMBL
333094,N=C(NC(=[NH2+])NC(N)=[NH2+])OCC[NH3+],0,GDB ChEMBL
50930,CCCCCC=C1CCC2([NH3+])CC12,0,GDB ChEMBL
292950,[NH3+]CCN(CCCO)c1nn[nH]n1,0,GDB ChEMBL
261219,CCOCC1C(C)OC(=O)CC1c1cnsn1,0,GDB ChEMBL
233906,Cc1cc2c(c(C)c1N)COC1CC[NH2+]C2C1,0,GDB ChEMBL
322930,CNC(=O)C1C(O)C1(CO)C(O)C(C)[NH3+],0,GDB ChEMBL
243892,CC1CNC(C[NH3+])C([NH3+])CO1,0,GDB ChEMBL
315281,C[NH2+]C(COC)C(C)(CO)C(F)(F)F,0,GDB ChEMBL
59705,CC(OCC(=O)[O-])C(C)OCC(N)C#N,0,GDB ChEMBL
83506,CCOCCC(OC)C1CC1[NH3+],0,GDB ChEMBL
181703,O=C1C=CC(Cc2ccccc2Cl)C1,1,GDB ChEMBL
43931,CC[NH+](C)CCC12C=CCC1(C)C2[NH3+],0,GDB ChEMBL
304888,CCCCC(CC)(CC)CC1C2C=CCC21,0,GDB ChEMBL
383772,COc1c(O)ccc(Br)c1Br,1,GDB ChEMBL
324036,CC(O)C(C)OCC1C=CC[NH2+]1,0,GDB ChEMBL
337430,CCC[NH+]1CC2CNCC1C#CCC(C)C2,0,GDB ChEMBL
332467,C#CC1C2C=CC(CCC(=O)N1C)O2,0,GDB ChEMBL
195367,O=CCC(C(=O)[O-])(C(=O)[O-])C1CCCOC1,0,GDB ChEMBL
252564,CC#CC#CCc1c(F)cncc1F,1,GDB ChEMBL
45099,C=CC(=Cc1ccc(C)cc1)CC,1,GDB ChEMBL
165962,CCC1CC2(C[NH2+]C)CC(C)C1C2,0,GDB ChEMBL
341297,CC(C)C1=CCCCCC2CC12,1,GDB ChEMBL
124870,COCCOC1C(=O)NC(=O)C1N,1,GDB ChEMBL
250596,COCCc1noc(C(N)=O)c1CC(O)C[NH3+],0,GDB ChEMBL
26902,CC1CC(O)C2CC2(c2c(N)ncn2C)C1,0,GDB ChEMBL
389472,N#CC1(CCCc2cc(I)cc(I)c2)CC1,1,GDB ChEMBL
11265,O=C1CC(O)C(C2CO2)N1,1,GDB ChEMBL
256144,CCCC(CC1CC1C)C(CC)CC,0,GDB ChEMBL
156506,CCCN(CC#N)CCc1cc(O)cn1CC,1,GDB ChEMBL
121992,C[NH2+]C1C(O)C2CCCC(C)(O)C1O2,0,GDB ChEMBL
78664,CCC1C2CCC1C1(C)CCC2(C)C12CC2,0,GDB ChEMBL
191282,CCN(C=O)C1CC1(C)[NH2+]C,0,GDB ChEMBL
361670,CC1CC2(C)N(CC#N)C2(C)C1,0,GDB ChEMBL
174837,CC(=O)C(=N)OC(C)C1C[NH+](C)CC1CCO,0,GDB ChEMBL
34401,CC#CC(CCCC)OC1CC1,1,GDB ChEMBL
44571,CCN(c1ncnc(O)n1)C(C[NH3+])(CO)CO,0,GDB ChEMBL
308289,C#CC1(O)CC[NH+](C)CCC1C(C)COC,0,GDB ChEMBL
34215,C#CC(C)(C)[NH2+]Cc1ccc(Cl)cc1C,0,GDB ChEMBL
47818,COC1C(O)C2CC1(CC(N)=O)C2C,0,GDB ChEMBL
96071,CNc1c(OC2CC2)c(=O)ncn1CC[NH3+],0,GDB ChEMBL
11226,CC1C([NH3+])C2NC(=O)OC1C2C#N,0,GDB ChEMBL
4885,N#CC1CC([NH3+])C(OC=O)C1C[NH3+],0,GDB ChEMBL
81113,NC(=[NH2+])CC1NC2C(C(=O)[O-])[NH2+]C1C2O,0,GDB ChEMBL
36039,[NH3+]CCOC1OC(=O)N2C(C(=O)[O-])C12,0,GDB ChEMBL
77047,CNC(=O)NCC1C(O)C1C(C)[NH3+],0,GDB ChEMBL
149946,C=CC1CC(Cc2sccc2C)C1,1,GDB ChEMBL
1444,CC(C)CC(=O)NC(=N)c1n[n-]cc(Cl)c1=O,0,GDB ChEMBL
391681,CCCCC12CCCC(CC(CC)CC1C)C2,0,GDB ChEMBL
87525,CC(=O)C[NH2+]CCCO,1,GDB ChEMBL
93417,C#CC(=O)NC(=N)CNCC([NH3+])COCC,0,GDB ChEMBL
302452,CNc1c(O)nn2cccc2c1C,0,GDB ChEMBL
47554,N#CC1CCC(O)C1(O)C(=O)[O-],0,GDB ChEMBL
288910,CC1(C)C2CC(C[NH2+]2)C2(C)CC([NH3+])CC12,0,GDB ChEMBL
269188,C#CCN1CC(=O)CC(O)(CC)C(C)(C)C1C,0,GDB ChEMBL
284353,CC1(OC(=O)CO)CC2COCC2C1,1,GDB ChEMBL
146940,CC(=O)NC1C=CC2CC1C2,1,GDB ChEMBL
347953,[NH3+]C(CN=c1[nH]ccnc1Cl)CC(=O)[O-],1,GDB ChEMBL
309214,CC1=CCC(C#N)N(C)C1,1,GDB ChEMBL
112438,CCC1(OC)CC=CC(O)C(C)CC(C)O1,1,GDB ChEMBL
398735,COCCC(=O)NC1CC1C=O,1,GDB ChEMBL
126830,O=CC(=O)NC(=O)C1CCC1,1,GDB ChEMBL
385371,CC(C)[NH2+]CC1(CO)COCC(=[NH2+])N1C,0,GDB ChEMBL
169359,CC1=C(C)N(C)C(=O)C(=O)NC1,1,GDB ChEMBL
344001,CCc1cc(Cl)cc2c1C(C(C)CC)C(C)C2,0,GDB ChEMBL
112474,CCCC(C)(CC(C)C)C1CC(CC)CC1C,0,GDB ChEMBL
334728,Cc1[nH+]c(CC(O)CO)c(I)c(N)c1C(C)C,0,GDB ChEMBL
284768,CC1=CC(O)C(C2CC2)[NH+]2CC1C2,0,GDB ChEMBL
262535,CCn1nc(CNCC#N)cnc1=O,0,GDB ChEMBL
26330,CC1=CCC2CCCC=CC(CC1)C2(C)C,0,GDB ChEMBL
33883,COCC1CS(=O)(=O)[C-](C(N)=O)C(CC#N)N1,0,GDB ChEMBL
162498,[NH3+]CC1CN2C(=O)C3CC(CO)[NH2+]C3CC12,0,GDB ChEMBL
132706,CNC(=O)C(O)CC(=O)Nc1cnoc1,1,GDB ChEMBL
206822,CN(CC(=O)[O-])C(=[NH2+])C(N)=[NH2+],0,GDB ChEMBL
17557,CC=C(CC(O)C1CC1)C1(C)CC1,1,GDB ChEMBL
305369,CCC[NH2+]C1(CCOCC)CCCCOC1=N,0,GDB ChEMBL
813,CC1([NH3+])CCNC(=O)NC1,0,GDB ChEMBL
156519,C[NH2+]C(C)CC12CCCCC1(C)CCCC2C,0,GDB ChEMBL
323329,CC(C)C#Cc1ccc(CC(C)C)cc1Br,1,GDB ChEMBL
115152,CCCCc1cc(F)cc(F)c1C,1,GDB ChEMBL
219500,CCC1c2c(cnc(O)c2C)NCC1C(C)O,0,GDB ChEMBL
149377,CC(=[NH2+])NC(CN)C1OCCO1,0,GDB ChEMBL
229453,CNC(=O)C1C[NH2+]C2C(=O)[N-]S(=O)(=O)OC12,0,GDB ChEMBL
143188,N#CCCNC(=O)c1ncon1,1,GDB ChEMBL
177173,C[NH2+]C1CCC(C)OCC1CC([NH3+])CC(C)[NH3+],0,GDB ChEMBL
122872,O=C1CC(O)C2NC(=O)C(N1)C(O)C2O,0,GDB ChEMBL
282209,CNC1C2C(C)[NH2+]C(C(=O)[O-])C12C#N,0,GDB ChEMBL
70989,[NH3+]CC1C=CC([NH3+])CC(=O)N1,0,GDB ChEMBL
394919,Cc1cc(C)c(C)[nH]c(=O)nc(N)c[nH+]1,0,GDB ChEMBL
392747,CCCCC[NH+]1CC(Nc2cocc2C)C1,0,GDB ChEMBL
368225,CCC1=CC([NH3+])C(NC2COC2=O)C1,0,GDB ChEMBL
182937,C=C1CCCN(C(C)=O)CC1=CC,0,GDB ChEMBL
193792,CN(C(N)=[NH2+])C(=[NH2+])CCOCCc1ccn[nH]1,0,GDB ChEMBL
64054,N#CC#CC(NCC(=O)[O-])C(O)CCO,0,GDB ChEMBL
134421,CCOCCOC(=O)N(C)CC,1,GDB ChEMBL
190029,CC1CC2CC1CNC2C#N,0,GDB ChEMBL
190112,Cc1cc(C2NCC3OC2C3[NH3+])c(O)cn1,0,GDB ChEMBL
175572,CCCC1C(C)C1(CO)C(C)(C)C[NH2+]C,0,GDB ChEMBL
252346,CCC(CO)n1cnnc1,1,GDB ChEMBL
87550,[NH3+]C1C(O)C2NC(=O)CNCC1(C(=O)[O-])C2O,0,GDB ChEMBL
255407,CC#CC1CCC[NH+](C(C)C)C1C,0,GDB ChEMBL
294190,COC(C)CNc1nc(C=O)c(CO)cc1N,1,GDB ChEMBL
161432,[NH3+]CC(O)C1NC(=O)C([NH3+])C(O)C1O,0,GDB ChEMBL
338615,CC1CNC(=O)NCC12OC2c1ccoc1,0,GDB ChEMBL
54110,CC(NC1C(O)S(=O)(=O)C1O)C(N)=O,0,GDB ChEMBL
147951,C#CC1C2N1CCC2(O)CC([NH3+])C(=O)[O-],0,GDB ChEMBL
22552,C#CCCC(CCC[NH2+]C)NS(=O)(=O)C#N,0,GDB ChEMBL
136551,CCC(CC(CO)NC=[NH+]C)(NC=O)C(N)=O,0,GDB ChEMBL
95605,CNc1onc(C)c1OCC(=O)[O-],1,GDB ChEMBL
150094,CC(=O)[C-](C#N)C(=O)Nc1sncc1[N+](=O)[O-],0,GDB ChEMBL
181650,COc1c(O)n(CC(=O)[O-])cnc1=O,1,GDB ChEMBL
335465,CCCOC1CCCC(=O)C1,1,GDB ChEMBL
140299,C#CC1CCC12CC(=O)NC2C,0,GDB ChEMBL
89705,CCC1(C)CC(C)C(C[NH+](C)C)C2CCC21,0,GDB ChEMBL
120373,CC1CC2CC(C)C(CO1)[NH+]1CC2C1,0,GDB ChEMBL
198831,N=C1CC(C(N)=O)Nc2cncnc2O1,0,GDB ChEMBL
83138,COCCCN=C(C=O)OC(C)=O,1,GDB ChEMBL
286333,C#CC(C)(C)C1(NC(C)=O)COC(C)C1C#N,0,GDB ChEMBL
1488,OCCCNC=[NH+]C1CC1,0,GDB ChEMBL
357606,COC(C(O)CS(N)(=O)=O)C1NC1C(C)O,0,GDB ChEMBL
40869,CCNC1=[NH+]C(C)(CO)CC1,0,GDB ChEMBL
254251,[NH3+]CCC#Cc1cc(Cl)c(Cl)cc1C[NH3+],0,GDB ChEMBL
398152,NS(=O)(=O)c1nc(O)ccc1C(=O)[O-],1,GDB ChEMBL
374921,CCC1CCCNC(N)=[NH+]C(C)C(=O)[CH-]C1=O,0,GDB ChEMBL
254859,CC1CC=C2CCCC(CC3CC3)C2C1C,0,GDB ChEMBL
385663,CCC1(CO)C2OC1C1C(C)CNC(=O)C12,0,GDB ChEMBL
259421,Cc1cc(C[NH3+])c(O)c(F)c1CC(C)C,0,GDB ChEMBL
204680,C[NH2+]CC(C(=O)C(N)=O)C(O)C#N,0,GDB ChEMBL
321382,CCC(C(=O)[O-])N(C=O)C1CC(C)([NH3+])C1O,0,GDB ChEMBL
179428,Cc1nccc(O)c1C#CC1([NH3+])CC1,0,GDB ChEMBL
9843,C=C(NS(C)(=O)=O)C(=N)OCC(=O)[O-],1,GDB ChEMBL
263176,N#CC(=O)[N-]CC(O)C1(CC(=O)[O-])CC1,0,GDB ChEMBL
141770,C#CC1C=C(c2cc(F)ccc2F)CC1,1,GDB ChEMBL
174024,CC(C)C1CC2CCCC2C1C,0,GDB ChEMBL
205931,CCCC1CC(C)C(CC=O)O1,1,GDB ChEMBL
375150,NC(C(=O)[O-])C1[NH2+]CC2CNC(C[NH3+])C1OC2,0,GDB ChEMBL
26833,C=CC(C[NH2+]CC)OCC(=[NH2+])NC,0,GDB ChEMBL
135808,CCC1=CC2C(C[NH2+]CCNC)C2C1,0,GDB ChEMBL
80221,CN=CNC(=O)OCCC(N)=[NH2+],1,GDB ChEMBL
13848,[NH3+]C1C(=O)Nc2noc(n2)NCCC1O,0,GDB ChEMBL
380572,COCCC1CN1S(C)(=O)=O,1,GDB ChEMBL
367808,COC1CC(C)C2CCC1C2[NH3+],0,GDB ChEMBL
265256,O=C1CCCc2c(O)cc(O)nc21,1,GDB ChEMBL
175720,[NH3+]Cc1cnc2ccc(C(F)(F)F)cn12,0,GDB ChEMBL
291910,COCCc1sc2ncc(N)cc2c1C[NH3+],0,GDB ChEMBL
214716,CNC(=O)OC(C[NH3+])c1cc[nH]c(=O)n1,0,GDB ChEMBL
66189,[NH2+]=CN(CCO)CC(O)CC(=O)[O-],0,GDB ChEMBL
285754,CC(CO)C[NH+]1CC(C)C2C=CCC21,0,GDB ChEMBL
83053,CC(O)C(O)C(C)Cc1cc[nH]c1,1,GDB ChEMBL
95604,COCC(=O)Nc1cc(=O)nnnc1N,0,GDB ChEMBL
377754,CCC1(C)CNc2c(Br)cc(C)cc21,1,GDB ChEMBL
386644,CCCCCC1(C)CC2(C)CC(C)C1C2CC,0,GDB ChEMBL
160346,[NH3+]CC(C[NH3+])COCc1ncccn1,0,GDB ChEMBL
211011,CCCC1CCC(CC)CN2C=[NH+]C(CC1)C2,0,GDB ChEMBL
155120,COc1cnc(C)c(N)c1I,1,GDB ChEMBL
36165,O=C1Cc2cnccc2N=CO1,1,GDB ChEMBL
320781,CNCC[NH2+]C(C)CC1COC1,0,GDB ChEMBL
135782,CCCC1C2C=C(C=O)C1(C)CC2C,0,GDB ChEMBL
370313,C[NH2+]CC1OC1(CCO)C1C(C)C1C,0,GDB ChEMBL
38735,COCCCC1OC(C)=NCC1[NH3+],0,GDB ChEMBL
313307,CCCC(CO)C(CO)NS(C)(=O)=O,1,GDB ChEMBL
49114,CCC1(C)CCC2C(C)[NH+](C)CC(C)C21,0,GDB ChEMBL
317169,Cc1cc(Br)cc(CC(F)(F)F)c1Br,1,GDB ChEMBL
234497,COC(C(N)=O)c1noc(C)n1,1,GDB ChEMBL
358607,NCC12OC(CNC1=O)C(O)C2[NH3+],0,GDB ChEMBL
395662,C=CCC(=O)C1CC2(O)COC1C2,0,GDB ChEMBL
48760,Cc1nc(C)c(CC2CC=CC2)c(=[NH2+])[nH]1,0,GDB ChEMBL
359128,C#CC1[NH2+]CC2(C(CO)OC)CC12C,0,GDB ChEMBL
223317,[NH2+]=C1NCC2OC(=O)CC12,0,GDB ChEMBL
330750,CC1(C)OC2CCC(C#N)C1OC2=O,0,GDB ChEMBL
221348,CCCC(c1cc(CO)c(Cl)cc1Cl)C(C)C,1,GDB ChEMBL
151176,CCC1CC2=CCCC2C2(C)C[NH+](C1)C2,0,GDB ChEMBL
109592,O=C1CC(O)C2C(O1)C(O)C1CN12,0,GDB ChEMBL
209670,CCCOCC1CCCC(CC)(CCCO)C1,0,GDB ChEMBL
210438,Cc1cc(C[NH3+])c(C2(O)CC2)s1,1,GDB ChEMBL
246772,Cc1c[nH]c2c(F)cc(C(C)C(N)=[NH2+])c(C)c12,0,GDB ChEMBL
376653,CCCNC(=O)OCc1cc(N)cc(Cl)c1,1,GDB ChEMBL
182069,C#Cc1c(CC)cccoc(C)c(C)c1CC,0,GDB ChEMBL
141817,CCC(C#CC(C)O)C(=O)[O-],0,GDB ChEMBL
186750,CC1(C)CC2CCCCCC(C)(CCCC2)C1,0,GDB ChEMBL
19398,CCOC1(C)CC=C(C)C(C(C)CC)CC1,0,GDB ChEMBL
44945,C[NH+]=C(N)OC12CCC(C1)NC2=O,0,GDB ChEMBL
143453,CCCC12C=C(C)C=C1CCC2C,0,GDB ChEMBL
156509,CCC(CNC(C)=O)C(=O)C#N,1,GDB ChEMBL
316097,C[NH2+]CC1OCC2CC(C)(C)CC2C1(C)C,0,GDB ChEMBL
389058,COC(=O)C1Cn2c(O)nc(N)c2O1,0,GDB ChEMBL
341869,CC1(C)CC2CC=C1CCC(O)CC2,0,GDB ChEMBL
319781,C#CCCCCOCC(C)CNC=O,1,GDB ChEMBL
135778,O=C([O-])CN1CC2[NH2+]CC1C2O,0,GDB ChEMBL
386588,C#CC1NC(=O)C(N)C2CC(C(C)C)[NH2+]C12C,0,GDB ChEMBL
120685,CC(C)N(CCO)C1CC(N)=CS(=O)(=O)C1,0,GDB ChEMBL
20500,CCC1CCC(C)C2CCC1CC2,0,GDB ChEMBL
228510,CCC[NH+](C)C(C)C(N)c1coc(=O)cc1F,0,GDB ChEMBL
301147,COC1OC(=O)C2(O)CC1NCC(C)([NH3+])C2,0,GDB ChEMBL
255430,CCCC1(C(C)C[NH3+])NC(=[NH2+])OC1(CC)CO,0,GDB ChEMBL
141728,[NH3+]CC1CNCC(C[NH3+])C1O,0,GDB ChEMBL
354142,CCC([NH3+])Cc1cccn1C,0,GDB ChEMBL
317326,CN(C)C=[NH+]CC1(C(=O)[O-])OC1C#N,0,GDB ChEMBL
76791,CC1C[NH2+]CC1C#CCO,0,GDB ChEMBL
149359,C=CCC1(C2CC(C(N)=O)[NH2+]2)CC1,0,GDB ChEMBL
38559,C[NH+](C)CC1(C=O)CCCCCC1,1,GDB ChEMBL
155141,NC(=O)c1csc(Cc2ncnnn2)n1,0,GDB ChEMBL
290317,CCC12CC(C=O)[NH+](C)CC(C)CC1C2,0,GDB ChEMBL
299618,CC12NC1C([NH2+]CC(=O)[O-])CC=C2C(N)=O,0,GDB ChEMBL
201453,CCC1C#CC2(CO)CC2CC(OC)CC1,0,GDB ChEMBL
194475,CC1C=C2COCCC(O)(C[NH+](C)C)C2C1,0,GDB ChEMBL
8762,CC[NH+]1CC=CC2(C=C(C)CC2)C(C)C1,0,GDB ChEMBL
217362,CC(=O)[N-]S(=O)(=O)CC(C)NCC#N,0,GDB ChEMBL
235167,CCC1C2=CC([NH2+]CC3(CC3)CC2O)C1C,0,GDB ChEMBL
147909,CCNC(=O)C1C(=O)C2(C)C(C)CC1C2OC,1,GDB ChEMBL
142356,[NH3+]C(CC(=O)[O-])C(O)C1OC1C(=O)[O-],1,GDB ChEMBL
148168,CCc1c(Cl)cc(C2CC2)cc1C[NH2+]C,0,GDB ChEMBL
77309,CC1CCCC2=[NH+]CCCCC(C1)N2,0,GDB ChEMBL
307518,CN(CC(O)(C#N)C(N)=O)C(=O)NC=O,1,GDB ChEMBL
98572,CNC1(COC)C([NH3+])C(O)CCC1(C)C(N)=[NH2+],0,GDB ChEMBL
33548,CCCOCC(=O)C(C)=C1C[NH2+]C1,0,GDB ChEMBL
335494,CC[NH+]1CC[NH2+]CC2CCCC2(O)C1,0,GDB ChEMBL
258275,Cc1cc(Br)c2cc(Br)c(Br)c(CCO)c2n1,1,GDB ChEMBL
312824,O=C1NC2COC3CC(O)C1OC23,0,GDB ChEMBL
299565,NC(=[NH2+])N1C(CO)C1CC(O)CO,0,GDB ChEMBL
338368,CCC1CC2(C)CCC1([NH+]1CCCC1C)C2C,0,GDB ChEMBL
247393,CCCc1nc(F)ccc1CC(N)C#N,1,GDB ChEMBL
203857,COC(=[NH2+])NC(CC(CO)C(N)C[NH3+])C(=O)[O-],0,GDB ChEMBL
360983,COCC(=O)Nc1cccsc1=N,0,GDB ChEMBL
48506,CC#CC(CCCC)C1COC(CC)C1C,0,GDB ChEMBL
193781,CCOc1ccnc(O)c1Br,1,GDB ChEMBL
141894,CC1CC2(CC3CC2(C)C[NH2+]3)C(C(N)=O)[NH2+]1,0,GDB ChEMBL
112363,Cc1c(O)ncc(CC([NH3+])CO)c1O,0,GDB ChEMBL
319192,CC12CCC=CC=CC(C1)C([NH3+])CC2,0,GDB ChEMBL
234456,N#CCCC(CC(N)=O)Nc1c(N)c[nH]c1O,0,GDB ChEMBL
17652,O=C1NC2CCC1C2N1CCN(CCO)C1=O,0,GDB ChEMBL
175856,CCC1(C)CC2(O)C[NH2+]CC1N(C)C2=O,0,GDB ChEMBL
325920,CCN(C=O)CC1(C(N)=O)CCCC[NH2+]1,0,GDB ChEMBL
194467,COCC(C#N)(C#N)OCCO,0,GDB ChEMBL
285568,CC(=O)NC1CNCC(=O)CNC1,0,GDB ChEMBL
218332,NC(=O)OCCN1CC(C(N)=O)C(O)(C=O)C1,0,GDB ChEMBL
334101,CCCC1(NC(=O)CO)C(C)[NH+]=C(N)C1N,0,GDB ChEMBL
29264,CC1=CC(=O)NC2COC1C2O,0,GDB ChEMBL
152019,CC(C)(C)OC1(C(F)(F)F)CC1(CO)CO,0,GDB ChEMBL
312890,CCS(=O)(=O)NC1CC1N=C(N)NC=O,0,GDB ChEMBL
260133,CC#CC(CO)N(C)C(N)=O,1,GDB ChEMBL
136655,CC1C(C[NH2+]CCO)CN2C(C)C12,0,GDB ChEMBL
95499,CC1CC2=Cc3cc(F)ccc3C21,1,GDB ChEMBL
347011,C[NH2+]C1CC2C(C)CC(C)=CC12CCO,0,GDB ChEMBL
136494,COC1(CC(CO)CCO)CC1(C)C#N,0,GDB ChEMBL
266454,C#CC1(N)C[NH2+]C(C)CCC1CCO,0,GDB ChEMBL
85682,CCC12CC(C[NH3+])OC1OC(COC)C2,0,GDB ChEMBL
353245,CC12CC([NH3+])C(O)C(CO)C1(C(=O)[O-])N2,0,GDB ChEMBL
246831,Cc1c(Cl)cc(Cl)cc1C1OCCCO1,1,GDB ChEMBL
280626,C#CC1CC(=O)NC(=O)N1C(=O)C(C)C(C)=O,1,GDB ChEMBL
379412,CC1OCC(NC(=O)CNC(N)=O)C(=O)C1=O,0,GDB ChEMBL
338558,C#CC12CNC(=O)N1C(C(CO)C(N)=O)C2,0,GDB ChEMBL
113607,NC(=O)CCC1C(CO)N=CNS1(=O)=O,0,GDB ChEMBL
365817,Cc1cccc2c1CCC(C)N2,1,GDB ChEMBL
40457,C=C(C)C1C(C)=CC[NH+](C)C1CC,0,GDB ChEMBL
221356,CNC(=O)C1(C(=O)[O-])NC(=O)NC1=N,0,GDB ChEMBL
307920,CCOC1(C)CC(C)[NH2+]C2CC2CC1C,0,GDB ChEMBL
207295,CCC1(C)CCCC(CCC2CC2C)C1,0,GDB ChEMBL
277709,CC1CCC2(C3(C)C[NH+](C)C3)CC[NH+]1C2,0,GDB ChEMBL
263823,NC(=O)CCc1nocc1[O-],0,GDB ChEMBL
67833,C[NH2+]CC(O)CC1C2N=C(N)C1(CO)OC2=O,0,GDB ChEMBL
60928,CN1CC(Oc2n[nH]cc2N)(C(=O)[O-])C1,0,GDB ChEMBL
161077,CC1CC2([NH3+])CC2C(CO)[NH2+]1,0,GDB ChEMBL
366755,CC1=CC2(Cc3cccn3C)CC(C1)C2,0,GDB ChEMBL
289815,CCCN(C)CC1[NH2+]CC1C,1,GDB ChEMBL
201721,CCOc1csc(OC)c1,1,GDB ChEMBL
238028,[NH3+]C1CC2OCc3ccnn3C1COCC2O,0,GDB ChEMBL
382500,N#CC1CNC(=O)C(C(O)C[NH3+])C(=O)OC1,0,GDB ChEMBL
93452,C#CC(C)C([NH3+])CCC(C(N)=[NH2+])C(C)O,0,GDB ChEMBL
125694,CN1C(=O)C2C(O)C2C1C([NH3+])CS(N)(=O)=O,0,GDB ChEMBL
314934,Brc1cccc2c1C1(C=CC2)CC1,1,GDB ChEMBL
311019,CC(CC(C[NH3+])C[NH3+])C1CC1,0,GDB ChEMBL
29912,CCc1cc(Cl)sc(=NCC(=O)NC)n1,0,GDB ChEMBL
72366,CCc1ccc2c(c1)C(C)(C)C1=CCCC12,1,GDB ChEMBL
380300,CN(C)C=[NH+]CC(N)C(O)C[NH3+],0,GDB ChEMBL
121109,COC(N)=NC1(CN)C(O)C1NC(N)=O,0,GDB ChEMBL
4988,CC1=CC=CC(CC2CCC2)=CCC1,1,GDB ChEMBL
257403,N#CC12CC(C1)C(CCO)C(=O)NC2=O,0,GDB ChEMBL
108183,CC12C[NH2+]C(C(=O)NC(=N)C1)C2(C)CO,0,GDB ChEMBL
119676,CCNC(C(C)=O)C(C)[NH2+]C,1,GDB ChEMBL
39724,CC1NC(=O)N(C)C12CC2,1,GDB ChEMBL
81090,C#CCCC1([NH3+])CCC(C)(CO)C1,0,GDB ChEMBL
250582,CC#CC1(C([NH2+]C)C(C)C)CCC(C)N1C,0,GDB ChEMBL
107008,N#CCC(=O)NCCC1([NH3+])C2COCC1O2,0,GDB ChEMBL
33531,CN(CCS(=O)(=O)[O-])CC(C[NH3+])NCC[NH3+],0,GDB ChEMBL
369272,CC1C[NH+](CCNc2c[nH]c(=O)cn2)C1,0,GDB ChEMBL
330037,CCNc1c(O)ccc(Cl)c1C,1,GDB ChEMBL
64360,C#CCOCC1=[NH+]CCN1,1,GDB ChEMBL
287000,CCN1C(CO)C1(CC)CC,0,GDB ChEMBL
379386,CCC(CC)C([NH3+])C1CC(C)=CC1C[NH3+],0,GDB ChEMBL
132287,CC(C)C[NH2+]C(C)(CCC[NH3+])C(C)(O)C(N)=O,0,GDB ChEMBL
379207,C[NH2+]CCCC1C=CCCC=C1,0,GDB ChEMBL
136570,CC#CC#Cc1cc(C)ccc1Br,1,GDB ChEMBL
277589,O=C1CNCCN1c1nccnn1,1,GDB ChEMBL
112628,CCC1(CCOC(C)C)C=C(C)C=CCC1,0,GDB ChEMBL
129583,CC1C=CC(O)C(C[NH3+])OC1,0,GDB ChEMBL
341320,[NH3+]C1C(=O)NC(CC(O)C2CO2)C1O,0,GDB ChEMBL
81780,CCC1=CCC(=O)CC1C,1,GDB ChEMBL
274124,CN1CC(C#N)[N-]C(=O)C1=N,0,GDB ChEMBL
214395,CCCC(C)C(C)C(C)(CC)CC,0,GDB ChEMBL
383064,O=CNCC1COC(=O)CCCS(=O)(=O)N1,1,GDB ChEMBL
107048,CN(CCO)C(=O)C1OC1C(N)=[NH2+],0,GDB ChEMBL
207901,CCC(C)CC1CC1(C)C,1,GDB ChEMBL
258203,CC1C=CC2=CCCCCC(C)(C)C1C2,0,GDB ChEMBL
277966,N#Cc1cnc(I)c(C(=O)[O-])c1,1,GDB ChEMBL
311667,CCNC(N)=[NH+]CC1(C(=O)[O-])CC[NH2+]1,0,GDB ChEMBL
10596,CC(CO)[NH2+]CC1(C(N)=O)OC(C)C1N,0,GDB ChEMBL
304491,CCC(CC=NO)N1C(=O)C=CC1C1CC1,1,GDB ChEMBL
383967,CCC(CC)N1CC([NH2+]C(C)C(=O)[O-])C1,1,GDB ChEMBL
368191,C#CCOC1CC2C(C(=O)N2C(C)=O)C1[NH3+],0,GDB ChEMBL
67866,C[NH2+]CC1NC(COC)CC2OC12CC[NH3+],0,GDB ChEMBL
39977,C[NH2+]CC(OC(=O)NC=O)C1CC[NH2+]1,0,GDB ChEMBL
338911,NC1CC2(C[NH3+])CC2C(N)C(=O)NC1=O,0,GDB ChEMBL
50089,CC1CC23CCCCC2CC1O3,0,GDB ChEMBL
54773,CCC1(C2CCC(O)CC(C)C2)CC1,0,GDB ChEMBL
222864,C#CC1Cc2c(n[nH]c2C)C[NH+](C)C1,0,GDB ChEMBL
354136,CC1OC2OCC1[NH2+]CC2c1cn(C)nn1,0,GDB ChEMBL
267339,C#CC(C=C)C(C)Cc1ccsc1,1,GDB ChEMBL
306395,CC(C#N)([N-]C(=O)C=O)C(O)CC(=O)[O-],0,GDB ChEMBL
165203,NS(=O)(=O)CC1CN1C1CCCC(O)C1[NH3+],0,GDB ChEMBL
104617,CC1CC=CC(=O)OCCN1CC(N)=[NH2+],0,GDB ChEMBL
212534,[NH3+]CC1C2CC[NH2+]C3C(O)C(=O)NC123,0,GDB ChEMBL
128277,N#CC1NC(CO)C(O)C(C(=O)[O-])C(O)C1N,0,GDB ChEMBL
317990,COC(C)C([NH3+])C(O)C(C[NH3+])C1CO1,0,GDB ChEMBL
49148,CC1C=CC2CC[NH2+]C(CO1)CC2(C)O,0,GDB ChEMBL
164697,CC1CCC2CC(C(F)(F)F)(C2)N1C,1,GDB ChEMBL
23581,C[NH2+]C1C(O)C([NH3+])CC2CCC1(C)N2C,0,GDB ChEMBL
358535,CCC1C2CC=CCC1C1CCCC2CC1,0,GDB ChEMBL
300433,CC1CC[NH2+]C2CC(C)C(C1)C2,0,GDB ChEMBL
115420,CCC(CC)(CO)C1CC1C,0,GDB ChEMBL
323158,CC(C)(C)C(C[NH3+])C1=CCC(O)CC1,0,GDB ChEMBL
170413,CC1=C2CC([NH+](C)C)CC2C(C)C1O,0,GDB ChEMBL
379843,Cc1cnc(F)c(C(C)O)c1C,1,GDB ChEMBL
101011,CN1CC2(C(CO)NC(C[NH3+])C2N)C([NH3+])C1=O,0,GDB ChEMBL
337963,CC(=N)Nc1conc1NC(N)=O,1,GDB ChEMBL
47254,Nc1cnc(C(O)CC[NH3+])cn1,0,GDB ChEMBL
115300,CNc1ccc(Cl)c2[nH]c(=[NH2+])c(C)cc12,0,GDB ChEMBL
271113,CN(CC[NH3+])C1C2(O)C[NH2+]C1(C(N)=O)C2O,0,GDB ChEMBL
208292,CN1C=CS(=O)(=O)NCCC(O)C1=O,1,GDB ChEMBL
301467,NC(=O)C1CC([NH3+])CC2(O)C[NH2+]C2C1,0,GDB ChEMBL
108164,CCC[NH2+]C1C2CC1C(NC=O)CO2,0,GDB ChEMBL
335500,CCCOC(C)C1(C)CCC1,1,GDB ChEMBL
84483,CCC(CC(C)(C)O)Nc1noc(N)c1C[NH3+],0,GDB ChEMBL
251948,CC1C=CCc2ccc(C3CC3)cc21,1,GDB ChEMBL
24783,CC12CCc3scnc3CC1=CC(=O)N2,0,GDB ChEMBL
201413,COCC1CN2CC2C1O,0,GDB ChEMBL
345834,CS(=O)(=O)CC#CCOC(=O)C1NCC1O,1,GDB ChEMBL
140797,CCC=CC(CC1CC1)C(C)CC,1,GDB ChEMBL
85825,C=CCCC1C(C)C(CC)C2CC12,0,GDB ChEMBL
160348,C#CCC1C=CC2CCC1C2CC(C)CC,0,GDB ChEMBL
281679,NC1=NC(CNC(=O)CO)C(CC=O)[NH+]=C1N,0,GDB ChEMBL
24486,CCC([NH3+])C(N(C)C)C(N)(C[NH3+])C(=O)[O-],0,GDB ChEMBL
198816,CCC12CCC(c3cc(Cl)ccc31)C2C,0,GDB ChEMBL
112593,Cc1oc(-c2nnnn2C)nc1C(N)=O,1,GDB ChEMBL
223264,Ic1ccc2cc1CCCC#CCC2,1,GDB ChEMBL
309836,CC1C(O)c2cc(Cl)ccc2C12CC2,1,GDB ChEMBL
247359,CCC(C)(CC)CC1CCC=C1COC,0,GDB ChEMBL
51412,C#CC1CC(C)C(CCCC(C)=O)C1,0,GDB ChEMBL
309795,CCCC(O)C1C2C=CC1(C)CC(C)CC2,0,GDB ChEMBL
193751,C[NH+]1CC(C)(C)CCC2C(CCC(N)=[NH2+])C21,0,GDB ChEMBL
170434,N#CCC([NH3+])CC1CCO1,1,GDB ChEMBL
282205,CC(C)CN1C2CC(C)(O)CC21,0,GDB ChEMBL
393576,COCC(C)C(O)CC#N,1,GDB ChEMBL
320325,N#CC(N)CC(O)C1[NH2+]CCC1C(N)=[NH2+],0,GDB ChEMBL
302647,CC1C(CCCO)C2CCC1C(C)(C)CCO2,0,GDB ChEMBL
121752,CC(C[NH2+]C1CC1O)NC(N)=[NH2+],0,GDB ChEMBL
26576,COC1CCC(NC(C)C#N)CO1,1,GDB ChEMBL
112486,C[NH2+]CC1(OS(N)(=O)=O)C(C#N)C1OC,0,GDB ChEMBL
274956,NC(=[NH2+])C1CC(=[NH2+])N1CCCC(=O)[O-],0,GDB ChEMBL
38156,CCC(C)OC1C2CCC([NH3+])CC21C,0,GDB ChEMBL
150536,CCc1ccnc(O)c1OC(=O)C(C=O)NC,1,GDB ChEMBL
50891,CC#Cc1c(I)cnc(C)c1C(=O)C1CC1,1,GDB ChEMBL
338610,C[NH+]1C2C3CCC1(C)CC2OC3,0,GDB ChEMBL
130234,COC(C#N)C(C(=O)[O-])C1(O)C(N)C1[NH3+],0,GDB ChEMBL
195414,CN=C1CNC(=O)C(C[NH2+]CCOC(C)C)O1,0,GDB ChEMBL
67375,COCC(CO)OC,1,GDB ChEMBL
153237,Cc1nc(NCCO)nc(=O)o1,1,GDB ChEMBL
242644,NC1=NC2(C(=O)[O-])C3OC(=O)N1C32,0,GDB ChEMBL
8782,CN=C(COC)NC(=O)NC(=N)N,1,GDB ChEMBL
275565,COC(=O)C1OC2C([NH3+])CNC(=O)C3C1C23,0,GDB ChEMBL
385649,C#CCc1cc(F)c2oc(COC)cc2c1O,1,GDB ChEMBL
80327,O=CN1C=CCC1c1ccc(F)cc1,1,GDB ChEMBL
89120,CCCC([NH3+])C(O)c1cc(OCC)cc(=N)s1,0,GDB ChEMBL
388238,CCC1OC(=O)N(CC)CC1C1(CO)CN1,0,GDB ChEMBL
305297,CC(C)(C)C(O)C1CCC(=O)C2CCCC[NH+]21,0,GDB ChEMBL
234447,CS(=O)(=O)NC1C(O)C1NC(C#N)CO,0,GDB ChEMBL
148354,CCC#CC(C)CC([NH2+]C)C(C)CC,0,GDB ChEMBL
252752,CNC(C)(CC(N)=O)C(C#N)N1CC1C,0,GDB ChEMBL
394230,CCN(C=N)C(=O)NC(=O)CN,1,GDB ChEMBL
298198,CN1CC2(O)CC(C#N)CC2(C#N)N=C1N,0,GDB ChEMBL
71965,C#Cc1c(Cl)ccc2ccc(C)nc12,1,GDB ChEMBL
378245,C[NH2+]C1C(CO)CNC(=O)C1NC(=O)C(N)=O,0,GDB ChEMBL
379674,CS(=O)(=O)NC1C2C(=O)NC(=N)NCC12O,0,GDB ChEMBL
159696,CNCC1(C#N)CCC(C(=NO)C(=O)[O-])N1,0,GDB ChEMBL
270088,C#Cc1c(C)cc(CC(CC)[NH2+]C)c(C)c1I,0,GDB ChEMBL
53886,Cc1cccc(F)c1CC(C)C1CC1,1,GDB ChEMBL
325876,CCc1c(C)cc2c(c1F)OCCC2,1,GDB ChEMBL
38903,C#CCCCCCC(C)([NH3+])C1(CO)CCCC1,0,GDB ChEMBL
106001,C#CC(O)(CC)C(=O)NCC1OC(=O)C(C)O1,1,GDB ChEMBL
174923,NC(N)=NC1C(=O)CN(C=O)C1=O,1,GDB ChEMBL
194531,NC1CNC(=[NH2+])C2[NH2+]CC1OCC2CC(=O)[O-],0,GDB ChEMBL
298945,COC1CC=C(CO)C1C(O)C(C)C,0,GDB ChEMBL
182250,CC(C)(C)C1CC(O)CC1(C)C,0,GDB ChEMBL
194508,CC1CC2CCCC(C2O)C2COC1C2C[NH3+],0,GDB ChEMBL
383980,COC1(C(=N)N)C(=O)NC(=O)NC1=O,1,GDB ChEMBL
78648,CCCCC1(CC)C=CCCC(CC)CC1,0,GDB ChEMBL
228908,C#Cc1cc(O)n(CC(C)(C)CCO)c1,1,GDB ChEMBL
321968,CCOC1C2CCNC(=O)NC1(C)CCC2O,0,GDB ChEMBL
37313,C#CCC[NH+]=C(N)COCC,0,GDB ChEMBL
159727,CCC(CC1C(C)C1C)CC(C)(C)C,1,GDB ChEMBL
215874,CCNC=[NH+]C(CC=O)C(CO)OC(=O)NC,0,GDB ChEMBL
24026,CCC1CC(C)C(C)(CCC(N)=[NH2+])C1,0,GDB ChEMBL
288713,CC1N2C(=O)NC(C(=O)[O-])CC12CS(=O)(=O)[O-],0,GDB ChEMBL
330404,C1C[NH+]2CC3(C1)CCC2CC[NH2+]3,0,GDB ChEMBL
227930,Cc1cc2c(cc1O)C1(CC1)C1OCCC21,0,GDB ChEMBL
15512,CCC1C(C)CC(C)C2(C)C=C(C)CC12,0,GDB ChEMBL
390070,NC(=O)OC1(C2CC[NH2+]2)COC1,0,GDB ChEMBL
136050,C[NH2+]C1C(O)C(=O)NCC(=O)NC1C(O)C=O,0,GDB ChEMBL
278845,NC(=[NH2+])NC1CCc2c1ncn2CC[NH3+],0,GDB ChEMBL
278186,[NH3+]CCC1CC([NH3+])CC2OC12,0,GDB ChEMBL
286335,CC(=CCC[NH+](C)CCN)CC#N,0,GDB ChEMBL
156078,CCc1ccc(NC2CC2)c(CC)c1F,1,GDB ChEMBL
214023,CCC1CC(=O)C(=O)C(=NO)CNC1CO,0,GDB ChEMBL
263286,CC(CO)[NH2+]CC1(C)C[NH2+]C1C(=O)[O-],0,GDB ChEMBL
203099,NC(=O)C#Cc1cnccn1,1,GDB ChEMBL
23511,CC(C)CCCCC1(C)CC=CC1(C)O,0,GDB ChEMBL
77847,C[NH2+]C(CC(C)C)C([NH2+]C(C)C)C1CC1O,0,GDB ChEMBL
181705,CCN1CCOCC2CCCCC1=[NH+]2,0,GDB ChEMBL
317335,CC1CCC2CC3CCC(=O)N3C(C)CC12,0,GDB ChEMBL
146026,O=C(CO)Nc1cc(Br)ncn1,1,GDB ChEMBL
118722,CC([NH3+])C1CNC(C(N)=O)C(O)C1C,0,GDB ChEMBL
271504,NS(=O)(=O)CCC1=NCC(=O)O1,1,GDB ChEMBL
274983,O=CC1CCC2C[NH+](CC(=O)[O-])C(CO)C12,0,GDB ChEMBL
45954,CCc1c(Br)cccc1C1CCCC1C,1,GDB ChEMBL
179164,CCOCC1(C)OC(=NC)NC1C([NH3+])COC,0,GDB ChEMBL
345402,CN1C(=O)C2C([NH3+])C1C(CO)(NC(N)=[NH2+])C2O,0,GDB ChEMBL
385665,CCN1CC(=O)CNC(C#N)C2CC2C1C,0,GDB ChEMBL
191576,CC1[NH2+]CC2COC(=O)NC(C=O)C1C2O,0,GDB ChEMBL
95180,C#CC1C(C)CC1(CC)C(CCO)OC,0,GDB ChEMBL
251841,CC(C([NH3+])CS(=O)(=O)[O-])C(CO)C(=O)[O-],0,GDB ChEMBL
115746,CC(N)C1C(O)CCCC[NH+]1C,0,GDB ChEMBL
311007,CC1C2CC(O)C1CC(C)C(C)(C)C2,0,GDB ChEMBL
284701,CC1CC(C)C2(C)CC1C(C)CC2C,0,GDB ChEMBL
36212,CCc1cc2c(CO)cn(C)c2c(C)c1F,1,GDB ChEMBL
76065,CC(C)(C[NH3+])N1C(=O)C2C(CC#N)N2C1=O,0,GDB ChEMBL
195437,CC1Cc2cc(n(C)n2)OCOC(=O)N1,1,GDB ChEMBL
320443,NC(=O)C(O)CCC(=[NH2+])NC1CNC1,0,GDB ChEMBL
116400,Cc1cc(Cl)cc2c1C(C)CC1CC2C1,1,GDB ChEMBL
160030,O=CC1[N-]S(=O)(=O)C2C(=O)OCCNC12,0,GDB ChEMBL
233887,COc1c(CN2CCC2)[nH+]cc2c1NCC2,0,GDB ChEMBL
43927,CCCCCC1CC(c2cncs2)C(=O)O1,1,GDB ChEMBL
33333,CC1=CCC(C=O)C(CC(C)C)C1,1,GDB ChEMBL
161048,CC1=CCCC2CC2(CO)CC(O)CC1,0,GDB ChEMBL
40046,CCCC12CC1C[NH+](C)C1CC2CCC1C,0,GDB ChEMBL
207279,N#CC1[N-]C(=O)C(C#N)C(O)C1CO,0,GDB ChEMBL
118732,C#CCCC(C)OC(=O)CCCC1CCCC1,1,GDB ChEMBL
104729,N#CC(CNC(=O)NC(N)=[NH2+])C(N)=O,0,GDB ChEMBL
75028,CCOCCC[NH+]1CC2CC1C(C)C2OCC,0,GDB ChEMBL
363804,CC1C[NH2+]CC(O)CC[NH2+]1,0,GDB ChEMBL
378241,COCC1(C)COC(C)(CCC(C)C)C1,1,GDB ChEMBL
378105,CC(O)C(OC1C(N)C1[NH3+])C([NH3+])C(N)=O,0,GDB ChEMBL
363193,CCS(=O)(=O)C1COC(C(=O)[O-])C1O,0,GDB ChEMBL
84848,O=C1CC23CCOCC(CN1)(C2)C3,0,GDB ChEMBL
109507,N#CCOCCNc1ncccn1,1,GDB ChEMBL
11231,CC(CO)C(C)[NH+]1CC(O)C1,1,GDB ChEMBL
151255,CCC1CCC2C(C)CC1C2C1CC1,0,GDB ChEMBL
225337,CC1C2CC(CO)CCC(O)(C2)C1C#N,0,GDB ChEMBL
395618,CCCC1(C)C2C(C)CCCCCC21C,0,GDB ChEMBL
94615,CCCN1CC1C(CO)C(=O)[O-],0,GDB ChEMBL
311009,CCC1=CCN(C=O)C(=O)NC1,1,GDB ChEMBL
292850,CCOc1ccccc1C,1,GDB ChEMBL
315256,C[NH2+]CC1CCC2CC(C)C[NH+]2C1,0,GDB ChEMBL
21744,C#CC1N2C(=O)C(C)CC(O)C12C,0,GDB ChEMBL
133954,COC(CO)C(N)C(O)C(N)=[NH2+],0,GDB ChEMBL
127698,CC1=CC(C)c2nc(C)ccc2COC1C,0,GDB ChEMBL
184636,C#CC1CC(C(=O)[O-])C(C)O1,1,GDB ChEMBL
82998,Oc1cc(F)c2cc(F)ccc2c1,1,GDB ChEMBL
383090,CCC1CC[NH2+]C(C)C2C(C=O)C12,0,GDB ChEMBL
38869,CCOC1CCC2C([NH+]=C(N)N)C12N,0,GDB ChEMBL
366568,COC1CC(C)C2CC2C([NH3+])C1CO,0,GDB ChEMBL
355764,CC1CCOCC12C[NH2+]C(C)(CC#N)C2,0,GDB ChEMBL
132552,CCC12CC(C)[NH+]3CC(C)CC3C1O2,0,GDB ChEMBL
188501,C#CCC1=C(C)CCCC1(CO)C(F)(F)F,0,GDB ChEMBL
252898,[NH3+]C1CN(C2COCC2O)C1,0,GDB ChEMBL
363188,CC(=O)Oc1onc(C)c1CC(C)(C)O,1,GDB ChEMBL
234945,Cc1cnc(Br)c(NCC#N)c1OCCC#N,1,GDB ChEMBL
256000,CC(C#N)(C1C2CCC1CC2)n1cccn1,1,GDB ChEMBL
83096,C#Cc1cc(Cl)c(CCC(F)(F)F)c(C#C)c1,1,GDB ChEMBL
217033,CCC([NH3+])COC(=O)C(=O)[O-],0,GDB ChEMBL
112876,CCNS(=O)(=O)C(CC)CC(N)=[NH2+],0,GDB ChEMBL
124189,CC1C[NH2+]C2CC(O)CC2N(C)CC1=NO,0,GDB ChEMBL
227573,C#CC1(C(CC)C[NH3+])CCCCC1,0,GDB ChEMBL
375712,C#CC1(OC(C)CC)CC(O)C(O)C1C,1,GDB ChEMBL
318085,CN1C=CC(=O)Nc2cnc(Cl)cc2C1,1,GDB ChEMBL
50070,CC1=CC(=O)CCCCC1,1,GDB ChEMBL
362183,CC1CCC=CC=C(CCO)CC(C)C1O,0,GDB ChEMBL
391792,COC(=O)C1C(=O)OC2CC1(C)C1C([NH3+])C21,0,GDB ChEMBL
177994,CC(C)(C)c1nc(N)c(C(N)=[NH2+])c(=O)[nH]1,0,GDB ChEMBL
371749,C#CCC(CNC(C)C(C)=O)[NH+]=C(N)C(C)C,0,GDB ChEMBL
355431,CCCC1CCC2CC(C)(C1)C(=NC)O2,0,GDB ChEMBL
97758,CN(C(=N)N)C(=O)C1(C#CCO)C[NH2+]C1,0,GDB ChEMBL
221388,N#CC1CC(C[NH3+])CCCCOC1=O,0,GDB ChEMBL
330533,NS(=O)(=O)OC1CC([NH3+])C(C[NH3+])(CO)NC1=O,0,GDB ChEMBL
276076,CC1C2CC3CCCCCCC3[NH+]1C2,0,GDB ChEMBL
53073,CC1C=C(CC2CC2OCC(F)(F)F)CC1,0,GDB ChEMBL
204819,CC1OC(=O)C(C(=O)[O-])C1O,0,GDB ChEMBL
296646,CC1CCC=CCC1(C=O)C=O,0,GDB ChEMBL
84852,CC(CC(C)(CO)COC1CC1)C(N)=O,0,GDB ChEMBL
128272,CCN=C1NC2CC(COC2C[NH3+])O1,0,GDB ChEMBL
103488,CCNC(=O)C1=NC2CN(CCO)CC2N1,1,GDB ChEMBL
132182,CC(C)C1CC2COCC([NH3+])C1C2,0,GDB ChEMBL
843,C=CCCC1(c2cccnc2)CN1,0,GDB ChEMBL
221665,CC(=[NH2+])Nc1nc(C(C)O)c(C[NH3+])c(C)c1C,0,GDB ChEMBL
235531,CCCC1CC2CC1C2([NH3+])CNC(C)=O,0,GDB ChEMBL
395978,CC#CC(C)(CC)c1ccc(C)cc1F,1,GDB ChEMBL
21543,CC#CC(c1cccc(C)c1)C(F)(F)F,1,GDB ChEMBL
218359,C=CC(C)C1CC2(C)CC1CCO2,0,GDB ChEMBL
61919,CNC(=O)NC1C(O)C1(CO)C(N)=[NH2+],0,GDB ChEMBL
370378,CCC(O)C(C=O)NC(=N)S(N)(=O)=O,0,GDB ChEMBL
132881,C#CCCCCCCCOC(C)CC(=O)C#N,1,GDB ChEMBL
292727,COC(CCC(=O)[O-])c1n[nH]nc1[O-],0,GDB ChEMBL
363576,CCCC1(C)CC(C)(CC2CC2)CCC1C,0,GDB ChEMBL
60645,CC1OCC(O)(C(=O)[O-])C1(O)C(=O)[O-],0,GDB ChEMBL
341347,CC1CC(C)CC2(C1)CC1CCCC2CCC1,1,GDB ChEMBL
203473,CC1CCC2(C)C(O)CC(C)(C)C2C1C,0,GDB ChEMBL
246773,CC(CC[NH3+])CCCCC1(O)C[NH2+]C1C,0,GDB ChEMBL
27931,COC(=O)N(C(=N)C(N)=O)C(=O)CO,1,GDB ChEMBL
41272,CC(=O)NCC(=O)Oc1scnc1N,1,GDB ChEMBL
288132,CCN1C(=N)CC(C[NH3+])CC1=O,0,GDB ChEMBL
194718,CC1([NH3+])CC(O)C2CNC1CO2,0,GDB ChEMBL
136089,CCCC1(O)CC2([NH2+]C)C(O)C2OC1=O,0,GDB ChEMBL
126844,CC(C[NH+]=C(N)N)NC1C2N(C)CCC12[NH3+],0,GDB ChEMBL
274902,CCCNc1cccc(F)c1CC,1,GDB ChEMBL
147594,C#Cc1noc(CC[NH3+])c1CC,0,GDB ChEMBL
131645,CCC(C)CC1CC1CC(C)CCC(C)C,0,GDB ChEMBL
141859,O=C1CCCN2CC(=O)C2CCN1,1,GDB ChEMBL
26620,CC1C[NH2+]CC(CO)=CC(C(=O)[O-])C1,0,GDB ChEMBL
355032,C#CCn1cnc(N)c1OCCS(C)(=O)=O,1,GDB ChEMBL
319837,CC(CC[NH3+])[NH2+]C1C=CC2C(C)CC(C)C12,0,GDB ChEMBL
146912,C[NH2+]Cc1cc2cc(N)oc2c(C)c1O,0,GDB ChEMBL
59591,C#Cc1c[nH]c(CC)cccc(C)c1CCO,0,GDB ChEMBL
203629,NC(=O)NC1COC(=O)CC1O,1,GDB ChEMBL
228899,C=CC1C2CCC1C(C)(C)CC2C,0,GDB ChEMBL
42569,CC1OCC12CCc1cc(Cl)cnc1C2,0,GDB ChEMBL
3808,CC#CC1C=C(C)CCCCO1,1,GDB ChEMBL
108111,C#CC1(C)CCCC1OCC,1,GDB ChEMBL
27936,CC1C2OC(=O)NCC([NH3+])C12C(=O)[O-],0,GDB ChEMBL
354619,CC1(C)CCCCN=C(CNc2ccon2)O1,1,GDB ChEMBL
300221,CC1OCC2C3CCC(CC3C[NH3+])C12,0,GDB ChEMBL
79353,CCC1C2CC(C#N)C(C)C12C[NH+](C)C,0,GDB ChEMBL
203308,C#CC(C)([NH2+]CC(C)OCC)C(C)(C)C,0,GDB ChEMBL
262539,CCC(C)C(=O)NC(=O)N1CCC1=O,1,GDB ChEMBL
386551,NC(N)=[NH+]CC(O)C1CC(=O)C=CC(N)=[NH+]1,0,GDB ChEMBL
270057,CCC#CCCCC1COC1,1,GDB ChEMBL
267326,[NH3+]CCCC(NC=O)C(O)C(=O)[O-],0,GDB ChEMBL
372121,CC1C([NH3+])CCC2(C[NH+](C)C2)C(C)(C)C1C,0,GDB ChEMBL
89146,C#CCC(C)C([NH3+])C(C)Nc1ccccc1I,0,GDB ChEMBL
339105,CC(=N)N(CCO)C(=O)C(NC=[NH2+])C(C)(C)O,0,GDB ChEMBL
72375,COC(C#N)C(C#N)OCCO,1,GDB ChEMBL
148916,CC1C(=O)OC(CC[NH3+])(C(N)=O)C(O)C1[NH3+],0,GDB ChEMBL
123053,C#CC(=O)c1cc2ccsc2cc1Cl,1,GDB ChEMBL
97081,C#CCC1C2(C)CCC(C2)C12CC2,1,GDB ChEMBL
165922,FC(F)(F)C1CCCCCC2C[NH+]2C1,0,GDB ChEMBL
285598,CCC1OCCC(C)(C)C=CC1[NH3+],0,GDB ChEMBL
320315,NC(=O)OC1C2CC1(O)C[NH+]2CC(=O)[O-],0,GDB ChEMBL
136034,CCC(CN(C)S(C)(=O)=O)S(N)(=O)=O,1,GDB ChEMBL
117308,CC#CC(C)C(CCCC)C(C)(C)C,0,GDB ChEMBL
389602,CN(C)C(=O)CC1C(O)C(O)(C(N)=O)C1O,0,GDB ChEMBL
161373,C[NH+]1CCC2(O)COCC(O)C12,0,GDB ChEMBL
385647,CCOc1cc(C)nc(-c2cccn2C)c1,1,GDB ChEMBL
21470,CC(C(=O)[O-])C1OC1C#N,1,GDB ChEMBL
267365,C#CC1=CC(C)CCC(C)(CC)C1,1,GDB ChEMBL
263216,CC1(C(N)=[NH2+])CN2C(C#N)C1C(O)C2CC#N,0,GDB ChEMBL
182475,COC(=O)NC1CN(C=O)CC(N)C1[NH3+],0,GDB ChEMBL
337087,C1=CCC2CCCCC(C1)C[NH2+]2,0,GDB ChEMBL
274596,CC(C)C1C[NH2+]CC2CC1C1CC[NH+]2C1C,0,GDB ChEMBL
84888,CC(C(N)=O)C1NC(=N)N(C=O)CC(O)C1N,0,GDB ChEMBL
371706,CCc1ccc(C(C)C)c(C2CCCC2)c1I,1,GDB ChEMBL
339059,OCC1CC2CCC3CC2(C[NH2+]3)C1,0,GDB ChEMBL
380252,COC1(C)C=CC=CC=CC=CCC1,0,GDB ChEMBL
301402,NS(=O)(=O)CC([NH3+])C(O)C1CC(=O)O1,0,GDB ChEMBL
34820,Cn1nnnc1C1(C(=O)[O-])CC([NH3+])CN1,0,GDB ChEMBL
334065,COC(CCOCC(C)[NH3+])CC(C)(O)C#N,0,GDB ChEMBL
234482,C#CCC(C)C(O)(CC#CC)CC(N)=O,1,GDB ChEMBL
277796,COC=NC(C[NH3+])CNC(C)=O,0,GDB ChEMBL
214883,CCC1C#CCNC(=O)OCC1=O,0,GDB ChEMBL
342597,CC1([NH3+])C(C[NH3+])C1N(C(=O)CO)S(C)(=O)=O,0,GDB ChEMBL
51088,CCC1C(C)C(C)C2C(C)(C)CCCC12C,0,GDB ChEMBL
209876,C#CC([NH3+])C(O)(CO)CNC(N)=[NH2+],0,GDB ChEMBL
48200,C[NH+](C)C1CC=CC(O)C12CCCC2,0,GDB ChEMBL
148943,CC[NH2+]C1COC2C=CC3(CC3)C12,0,GDB ChEMBL
274040,CC=CCc1cc(Br)cc(N)c1Br,1,GDB ChEMBL
397956,[NH3+]C1CC(CCO)C(C(=O)[O-])=CC2CC1C2,0,GDB ChEMBL
103452,CCC(C)CC1C=C(C)CCC(C)CC1O,0,GDB ChEMBL
379240,C#CCC1CC2C[NH2+]C(C1)C2,0,GDB ChEMBL
120880,NC(=[NH2+])C(C#CC(N)CC[NH3+])C(N)=O,0,GDB ChEMBL
38486,CC(=[NH2+])N1CCC(C)(O)CC1C(N)=O,0,GDB ChEMBL
339982,Cc1cc2nc(ccc(C)c(O)c1)C(=O)CN2,0,GDB ChEMBL
142537,CC[NH2+]CC1(C[NH3+])CC(O)C([NH3+])CC1N,0,GDB ChEMBL
376677,Cc1cnc(CO)nc1C=O,1,GDB ChEMBL
2991,CCOC(CC(N)=O)(C(N)=O)C(C)O,1,GDB ChEMBL
358270,COC(C(N)=O)C1(CCC=O)OC1C(=O)[O-],0,GDB ChEMBL
238195,C[NH2+]C(CC=O)C(O)C[NH+]=C(N)CCO,0,GDB ChEMBL
190365,CCC1C2CN(C(=O)C[NH3+])C12,0,GDB ChEMBL
137059,CCCC(CC)C1(C(C)C)CC1[NH3+],0,GDB ChEMBL
277953,CCC1(CC)CN(CC(C)[NH3+])C1,1,GDB ChEMBL
113610,N#CC1NC(=O)OCC(C2CN2)C1O,0,GDB ChEMBL
130189,Cc1cccc(OCC(C)(C)C#CC#N)n1,1,GDB ChEMBL
16507,NC(=O)CCC1OCC2C([NH3+])C12,0,GDB ChEMBL
40899,C#Cc1cc(CC(F)(F)F)c(C)c(CC)c1F,1,GDB ChEMBL
79480,NC(=O)C(N)C1OCCC12[NH+]=C(N)NC2CO,0,GDB ChEMBL
378562,CCC(C(C)CC(C)(C)C)C(C)(CC)CC#N,0,GDB ChEMBL
77258,CC1=CC(C)(CO)C(C)C1,0,GDB ChEMBL
272523,CCC[NH2+]C1C(C)C2CC1C2CC,0,GDB ChEMBL
308147,Cc1nc(Br)ccc1C=O,1,GDB ChEMBL
390090,CC(=O)CN(C(C)=O)C1(CO)CC1(O)C#N,0,GDB ChEMBL
330073,CC(CO)(CNC(=[NH2+])NC(N)=O)OCC[NH3+],0,GDB ChEMBL
341858,CC1CNC(=O)OC(C(O)CC(O)C[NH3+])C1[NH3+],0,GDB ChEMBL
28160,CC(=O)C1(C)CCCC[NH+]1CC(C)C,1,GDB ChEMBL
281219,CC(C(N)=O)C1(N)C[NH2+]C1,0,GDB ChEMBL
287371,CC[NH2+]Cc1csc(CC[NH3+])nc1=O,0,GDB ChEMBL
250532,CC1CCCC(C)C(C)CC2CC2C1,0,GDB ChEMBL
270073,COC12CN(CC[NH2+]C1CO)C2,0,GDB ChEMBL
201149,COCC1OCC(O)CC(C[NH3+])C(C[NH3+])C1O,0,GDB ChEMBL
386397,COCC1(C=O)CCC(C#N)C1,1,GDB ChEMBL
194538,C1=CC(C2CC2)=CC[NH+](CC2CCCC2)C1,0,GDB ChEMBL
141841,COC(CCO)CCNC1=CC(=[NH2+])NC1,0,GDB ChEMBL
398890,C#CC1C=CCc2c(ccc(C)c2Cl)C1,0,GDB ChEMBL
850,CC1[NH2+]C2(C(=O)[O-])C(N)C2C1OC(N)=O,0,GDB ChEMBL
81589,CC1=CC[NH+](CCC23CCC=CC2C3)CC1,0,GDB ChEMBL
80330,CCC1(C)C[NH2+]C2C(C)CCCC21,0,GDB ChEMBL
280000,CC(O)C(=O)C1(C)CC(=O)CCNC1=O,0,GDB ChEMBL
81030,C[NH2+]CC1C(CCO)OC(C=O)C1O,0,GDB ChEMBL
234269,CC#CC12C=CCC1(C)C2c1ccccc1,0,GDB ChEMBL
280429,CC1CC[NH2+]C1C1C(O)C=CC12CO2,0,GDB ChEMBL
122724,C#CC(CCC)C(C)C(O)C(C)(C)C,1,GDB ChEMBL
16535,COC1C2CCNC(=O)C13CC3O2,0,GDB ChEMBL
286981,CC(C)(CC(=O)[O-])NS(=O)(=O)C#N,0,GDB ChEMBL
210240,CC1(CNC(N)=O)CS(=O)(=O)NCC1[NH3+],0,GDB ChEMBL
338833,C#CC1CC(C)(C)CC(=O)O1,1,GDB ChEMBL
103938,CCCCC([NH3+])C1(CC(O)C#N)OCCC1[NH3+],0,GDB ChEMBL
24509,NC(CO)=NCC#Cc1cnc(N)s1,1,GDB ChEMBL
291932,C[NH2+]C(C)C(COCCC[NH3+])CC(C)O,0,GDB ChEMBL
238531,Cc1ccc2c3c1C(C)C=CC3CO2,0,GDB ChEMBL
277788,CCC1=CC(C2C[NH2+]CCC[NH2+]2)CC=CC1,0,GDB ChEMBL
49121,CCCCC1C2(C)CCCCCC1(C)C(C)C2,0,GDB ChEMBL
331461,CC1CC2(C(C)C)Cc3sccc3C[NH+]1C2C,0,GDB ChEMBL
230712,CC1OCOC2(C)C(=O)NC(=O)N(C)C12CO,0,GDB ChEMBL
41097,OCC1C2C[NH+]3CCC(O2)C13,0,GDB ChEMBL
398215,C#CC1(C)CC2CC1=CC(C)CC[NH+]2C,0,GDB ChEMBL
290275,C(C[NH2+]C1C2CC2C2CC21)CC1CC1,0,GDB ChEMBL
239148,CNc1cc2c(F)ncc(C#N)c2[nH]c1=O,1,GDB ChEMBL
85637,CCC1(C)OCC2=CCC3(CC3)CN2C1=O,0,GDB ChEMBL
228485,C#CCCC1(C)CC=CC=CC1,0,GDB ChEMBL
297047,Cc1c(Br)cc(Br)cc1CC(C)C1CCC1,1,GDB ChEMBL
204181,CN(C)C1=[NH+]C(C)(CN)COC(=O)C(C[NH3+])C1,0,GDB ChEMBL
124173,N=C1NC(=O)C(CO)NC(=O)C1O,0,GDB ChEMBL
328911,COc1cc2c(OC)cncnc-2n1,0,GDB ChEMBL
345400,CCC1(OC(C)CC(C)(O)C[NH2+]C)CC[NH2+]C1,0,GDB ChEMBL
395141,C#Cc1c(C)cc(C=O)cc1F,1,GDB ChEMBL
221682,CC(C)C1CC(O)C(O)C2NCC(=O)CNC12,0,GDB ChEMBL
165931,CC1C2CCN(c3ccc(N)cc3)CC1[NH2+]2,0,GDB ChEMBL
178051,CC(C)CC1(C[NH3+])C(O)C1CCO,0,GDB ChEMBL
392250,C#CC1=CC[NH+]2CC(CC)C(C2)C(C)CC1,0,GDB ChEMBL
73291,CN1CC(C)(O)C(O)CCS1(=O)=O,1,GDB ChEMBL
198640,COCC([NH3+])CCC(=O)Nc1oc([O-])nc1O,0,GDB ChEMBL
22828,N=C(N)N1CC(=O)CNC1=O,0,GDB ChEMBL
50869,CCC1C[NH2+]C1CCOC,1,GDB ChEMBL
78674,CCCC1[NH2+]C2CCC1C(C#N)(C[NH3+])C2,0,GDB ChEMBL
269344,CCOC(=O)C1(C)C(C(C)[NH3+])N1C(C)=[NH2+],0,GDB ChEMBL
280668,NC(=O)N1C2COC(C3=NCCN3)C21,0,GDB ChEMBL
170421,C=CC=Cc1nc(CC)ccc1C,1,GDB ChEMBL
19657,Nc1ncc(CNC(=O)c2cc[nH]n2)nn1,1,GDB ChEMBL
313339,CC([NH2+]CC(N)=O)C1(C)OC(=N)NC(=O)C1O,0,GDB ChEMBL
218542,CC([NH3+])C(=O)N1C(C[NH3+])C1S(N)(=O)=O,0,GDB ChEMBL
395159,CC(OCC(N)=O)C1[NH2+]CC1(C)C[NH3+],0,GDB ChEMBL
251460,C#CC1(CC2CC(C)(CO)CC[NH2+]2)CCCC1,0,GDB ChEMBL
253612,CC1=CC(C)CC1CC(C)C(C)O,0,GDB ChEMBL
391733,Cc1cn(CC2CCO2)c(CC(C)C)n1,1,GDB ChEMBL
259608,COCC1([NH3+])C2NC(=O)C(=O)OC1C(O)C2O,0,GDB ChEMBL
301489,CNCC(=O)OC1C2CC[NH2+]C21,0,GDB ChEMBL
217724,CC1=CCC2C[NH+](CC=CC1)CCC1CC12,0,GDB ChEMBL
377276,[NH3+]CCc1cccc2cnoc12,0,GDB ChEMBL
61942,CC12CC[NH2+]CC=C1CCOC2,0,GDB ChEMBL
98902,CC1(C)CC(C#N)CC2CC(C2)[NH2+]1,0,GDB ChEMBL
21704,NC(=[NH2+])NCC1(O)C(O)C(N)C([NH3+])C1O,0,GDB ChEMBL
149354,C#Cc1ncc(OC)c(C2(C)CCCC2)c1F,0,GDB ChEMBL
34804,CC(=[NH2+])NC(C)C12CC([NH3+])CC(CO1)CC2O,0,GDB ChEMBL
221691,CC12CCCC=C1C[NH2+]C1CC12,0,GDB ChEMBL
328888,C#CC1NC(C(=O)[O-])C1OC,0,GDB ChEMBL
386466,Cc1nn(CC[NH3+])c(C)c1NC(=O)OCC#N,1,GDB ChEMBL
239147,CNC(=O)C1OC(COC)CC1[NH3+],1,GDB ChEMBL
230275,CC(C)n1cc2c(n1)CCC(C)[NH+]1CCC21,0,GDB ChEMBL
348872,CC[NH+](C)C1C2CC(C)C(C)C21,0,GDB ChEMBL
190106,CCC1CC2COC(CC1=O)C(C)C2CO,0,GDB ChEMBL
59683,COCc1nc(O)ncc1S(=O)(=O)[O-],0,GDB ChEMBL
224032,CC[NH+]1CCC2CC(C1)C(C)C1CC21,0,GDB ChEMBL
12841,NC(=O)C1[NH2+]CC(S(=O)(=O)[O-])C1CO,0,GDB ChEMBL
101494,CC1=CC(=O)CC2OC12CC(C)C,0,GDB ChEMBL
290119,C#CCC(C)C(O)(CC)CCC=C,1,GDB ChEMBL
79547,O=S1(=O)Nc2ccc(O)cc2CCC1O,0,GDB ChEMBL
236750,CC(C#N)C1(C[NH3+])CC(=O)N1CC(=O)[O-],0,GDB ChEMBL
353947,CCC1(CCNC(=O)C(O)C[NH3+])[NH2+]C1C,0,GDB ChEMBL
317766,CCC(C)(CCC(C)C)CC1CC1C,0,GDB ChEMBL
296327,CC1(C(=O)OC2CCCCCOC2)C[NH2+]C1,1,GDB ChEMBL
4948,CCC1C2(C)CCCC(C2)C12CC2,1,GDB ChEMBL
130650,CCCc1ccccc1C(C)C,1,GDB ChEMBL
111482,C[NH2+]C1(CO)CC(OC(N)=O)CC(=O)C1C,0,GDB ChEMBL
141906,CN(Cc1cccc(I)c1)c1c[nH+]c[nH]1,0,GDB ChEMBL
396732,CC1CC([NH3+])C(C)(C)C(C)(O)CC1O,0,GDB ChEMBL
321835,CCCC(C)CC1C2CC([NH3+])C1C2(C)C,0,GDB ChEMBL
382984,COCC1[NH2+]CC2C1CC1OC12,0,GDB ChEMBL
148515,C#Cc1cccc(F)c1C(C)C(CC)COC,0,GDB ChEMBL
222794,C#CC1CC2CN1C(C)C2C#N,0,GDB ChEMBL
120345,COC(=O)C1COC(C=O)C(=O)N1C,0,GDB ChEMBL
161024,CCOC1CCC2CC([NH2+]C1)C(=N)NC2C#N,0,GDB ChEMBL
293782,COCC1=CNC(=O)C2CC1C2,0,GDB ChEMBL
362391,COCC(CC#N)CS(N)(=O)=O,0,GDB ChEMBL
251063,CCCOCc1nc(C(C#N)CN)c(N)n1C,0,GDB ChEMBL
342586,Cc1c2c(c(F)c3cccc(F)c13)CCC2,1,GDB ChEMBL
362966,[NH3+]CC(O)C(O)C(C(=O)[O-])C([NH3+])C(=O)[O-],0,GDB ChEMBL
6526,C=CC1CNC(NC)=[NH+]CC1(C)C,0,GDB ChEMBL
383745,NC(=O)C1C(=O)OC2CNC21,0,GDB ChEMBL
236544,CCC(C)([NH3+])CNC(N)=O,0,GDB ChEMBL
225352,O=C([O-])C[NH2+]CC1OCOC1=O,1,GDB ChEMBL
248219,NC(=O)OCC12CC(O)CC1C2,1,GDB ChEMBL
132664,CC1C2CCC(O)C1CO2,0,GDB ChEMBL
304297,O=C(CCO)[N-]C(=O)n1cncn1,0,GDB ChEMBL
80260,CCCC1C(C(C)CC)C[NH+]1C,0,GDB ChEMBL
230396,C[NH2+]C1C=CC=CCC1(C)O,0,GDB ChEMBL
397041,CC(=O)OC1C(C[NH3+])OC1(C)CCCO,0,GDB ChEMBL
317576,CC1(C#N)C(=O)[N-]C(S(N)(=O)=O)C1CCO,0,GDB ChEMBL
381429,CC(=[NH2+])N1c2cccc(F)c2CCC1(C)C,0,GDB ChEMBL
266461,CN1C(=O)C2[N-]S(=O)(=O)C2C1C(=O)[O-],0,GDB ChEMBL
389417,CC12C[NH2+]CC(C(F)(F)F)C(CC1O)C2[NH3+],0,GDB ChEMBL
69586,C#CC1(C)CC(=O)C(CCCO)NC1=O,0,GDB ChEMBL
259132,CCC1(O)CC(C[NH3+])C2CC21,0,GDB ChEMBL
136423,C#CC(CC[NH2+]C)C(N)=O,0,GDB ChEMBL
266223,CC[NH2+]Cc1cc(I)ccc1OCC[NH3+],0,GDB ChEMBL
218544,CC(O)C(C)CC1=[NH+]CC(C(N)C#N)N1,0,GDB ChEMBL
101533,[NH3+]CCN1CC[NH2+]CCOC1=O,0,GDB ChEMBL
208335,O=S1(=O)CC2(C[NH2+]CCO)CCOCC2N1,0,GDB ChEMBL
288581,CC12CCCC(C1)C1C=CC(=O)C2C1,0,GDB ChEMBL
132301,CC(C)C1(CNc2ccn(C)c2)CCCC1O,1,GDB ChEMBL
280885,CCCC(C)NC(NCC(=O)C(N)=O)=[NH+]C,0,GDB ChEMBL
172742,C#CC1CC(C2CC2)C2CCC[NH+]2C1CC,0,GDB ChEMBL
171343,CC1C(C2CCCC2O)OC(=O)[N-]S1(=O)=O,0,GDB ChEMBL
15565,CC1CC(C(=O)[O-])N(C)C(=N)S1(=O)=O,0,GDB ChEMBL
263421,CC1(O)CCC=C(C[NH3+])C1CO,0,GDB ChEMBL
258335,CC1C(C(=O)[O-])Oc2nc(N)cn21,0,GDB ChEMBL
45720,N#CCc1cc(CC2CC2)cc(Cl)c1Cl,1,GDB ChEMBL
38588,CCCC12CCC(NC(=O)NCC)(C[NH2+]C1)C2,0,GDB ChEMBL
33174,ON=C1CC2CCC[NH+]2C2CC1OCC2O,0,GDB ChEMBL
83051,CCC12CCCC(C)CCCCC1CCC[NH2+]2,0,GDB ChEMBL
62569,C#CC(C#C)CC(C)(CC)CC,0,GDB ChEMBL
254897,CC1C([NH3+])C2OC(CN1C)C2CC(=O)[O-],0,GDB ChEMBL
70121,Cc1c(C(=O)[O-])c(Cl)cc2sncc12,0,GDB ChEMBL
387246,[NH3+]CCc1cccc(C2C(=O)OCC2O)c1Cl,0,GDB ChEMBL
143180,CC#CC(O)C([NH3+])(C(=O)[O-])C1CC1CO,0,GDB ChEMBL
221113,NC(C(=O)[O-])C12C[NH2+]C1CC(O)C(=O)N2,0,GDB ChEMBL
324034,CC1C2CC1S(=O)(=O)N2CC(=O)[O-],0,GDB ChEMBL
214924,CC1[NH2+]CC1NC(=O)C[NH3+],0,GDB ChEMBL
361824,CCC(=O)N1CC12CNC(C[NH3+])C(O)C2O,0,GDB ChEMBL
310115,CCCC1(CC2[NH2+]C(C)CC2C)CCC1,0,GDB ChEMBL
379690,CC(C(=O)NCC(=O)C1OC1(C)C)N(C)C,1,GDB ChEMBL
252112,CCN1C(=O)CCC(O)C1=O,1,GDB ChEMBL
249489,CCCC(=O)CC(=O)Nc1nsnc1C(=O)[O-],0,GDB ChEMBL
222919,Ic1ccc2ccc(CC3COC3)nc2c1,1,GDB ChEMBL
77762,CC1C(C[NH3+])COC(=O)C=CC12CC2,0,GDB ChEMBL
263409,CC1=CC(O)CC(C)(C)C(C)CC1=O,0,GDB ChEMBL
22567,O=C1OCC(=O)N2C1CC1(O)C(CO)OCC21,0,GDB ChEMBL
345371,CC1C(=O)N(C=O)C(=O)C(C#N)OCCC1O,1,GDB ChEMBL
377798,CNc1cc(C(=O)NC(C)=N)nc(C)n1,1,GDB ChEMBL
70812,CC(C)C(O)C1C[NH2+]CC([NH3+])C2CC21,0,GDB ChEMBL
222786,CC1(CNC(=[NH2+])CN)COc2ncccc2O1,0,GDB ChEMBL
165247,CC(C)OC(=N)CC(C[NH3+])C(C)OCCC[NH3+],0,GDB ChEMBL
22866,CC(C)C(O)C1C(C)COC(C#N)CC1(C)C,0,GDB ChEMBL
87001,COC(C)C1C2NCCC1([NH3+])C2(C)C#N,0,GDB ChEMBL
377752,CC#Cc1ccc(OC(C)C(C)(C)O)cc1,1,GDB ChEMBL
118121,CC1(C)CC2COCC2C1=O,1,GDB ChEMBL
220199,CCNc1nc(C#N)c([O-])c(N)c(=O)c1C=O,0,GDB ChEMBL
204309,C#CC1Cc2cc(Cl)ccc2C(C=O)C1,0,GDB ChEMBL
360957,CC[NH+]1CC2CCC3(CC3CO2)C1,0,GDB ChEMBL
207688,CC[NH2+]C1(CC2CCC2)C(C)C1NC,0,GDB ChEMBL
281849,C[NH+]1CC(C2OC2C(C)(C)C)C1,0,GDB ChEMBL
214932,CC1CCC(O)C2C(C)C3CC=CC3[NH+]2C1,0,GDB ChEMBL
305553,CCOC(=O)Nc1nc(C(C)O)c(NC=N)s1,0,GDB ChEMBL
356521,COC1(C(N)C#N)CNC(C(=O)[O-])C(O)C1[NH3+],0,GDB ChEMBL
175740,CCOCC(=O)C(=N[O-])C1C(=O)NCC1O,0,GDB ChEMBL
163431,C=CC12C=CCC(CCCOC1)C2,0,GDB ChEMBL
247496,CC1=CC(=O)C2(CCC(O)C2OC(N)=O)C1,0,GDB ChEMBL
330941,C=CCCc1nc(NC2CC2)cs1,1,GDB ChEMBL
323183,CC1N(C(N)=[NH2+])CCNC(=O)C1(O)C(C)(C)O,0,GDB ChEMBL
274945,N=C1CC2C(C(=O)[O-])NC(=O)C([NH3+])C2O1,0,GDB ChEMBL
70856,NC(=O)NCC(=O)OC1CC(O)C(O)C1=O,1,GDB ChEMBL
71973,COC1CC(C(C)[NH3+])CC2CC=CC21,0,GDB ChEMBL
107830,CC(CO)NCc1nc(C#N)ns1,1,GDB ChEMBL
124537,C#CC(C#CC)C[NH+]1CC(C)CC(C)C1,0,GDB ChEMBL
398813,O=C([O-])c1ccnc(O)c([N+](=O)[O-])ccs1,0,GDB ChEMBL
234847,C#CC1(CC(C)CC(O)CC)CCC(C)C[NH2+]1,0,GDB ChEMBL
205926,C=C1CC2OC(CC2CCC)C1O,0,GDB ChEMBL
240508,CN1CC2C(C([NH3+])C(N)=O)C21,0,GDB ChEMBL
254276,CC1CC(C)C(C[NH3+])CC2C(O)CC([NH2+]1)C2C,0,GDB ChEMBL
230440,CCC12CCC(C(C)C1)C1CCCC(C)(C1)C2,0,GDB ChEMBL
395134,CC1C[NH2+]C23CC2C(O)CC(=O)NC3C1,0,GDB ChEMBL
121465,CC(=O)OCC#CC(O)S(N)(=O)=O,0,GDB ChEMBL
337930,N=C1NC(=O)C(O)C2CC(O)(C[NH2+]2)C(=O)N1,0,GDB ChEMBL
285733,O=Cc1cc(CCO)ccc1C(F)(F)F,1,GDB ChEMBL
121079,COC1CS(=O)(=O)CC(CO)C(C)OC1=O,0,GDB ChEMBL
164677,CCC1(C)C(C)CCCC1C1CC2CCC1C2,0,GDB ChEMBL
261389,NC(=[NH2+])CC1CC2(CCC(C(N)=O)CC2)C1,0,GDB ChEMBL
274974,CCC(C)c1cccc(CC2CC2)c1,1,GDB ChEMBL
391695,CCC1(C(F)(F)F)C=C(C)CO1,1,GDB ChEMBL
140780,C#CCCC(C)C1CC([NH3+])C[NH2+]C(C)C1,0,GDB ChEMBL
305475,CCC(C)Oc1cc(O)c(C)nc1C,1,GDB ChEMBL
84903,CC1=C(C(C)C)C=CCCCC1,1,GDB ChEMBL
171294,CC(=O)NCc1csnc1NC(N)=O,1,GDB ChEMBL
104680,CC(=O)C1=CC(O)C([NH+]=C(N)N)C1,0,GDB ChEMBL
161976,COC1C(N)=[NH+]CC(N)C(O)C1O,0,GDB ChEMBL
76372,CCOC12CC3C=CCCC[NH+]3CC1(O)C2,0,GDB ChEMBL
20081,[NH3+]CC1NCC(=O)OC1c1cc([O-])no1,0,GDB ChEMBL
354432,CC(C#CCC[NH3+])C([NH3+])CC#N,0,GDB ChEMBL
200718,CCn1cc2c(c1N)C(COC)[NH2+]CCN2,0,GDB ChEMBL
207329,CC1(C)C(CO)C(=O)N2C(C#N)C21,0,GDB ChEMBL
240836,CC(CC(C)(C)C(C)C)C(C)C1CCCCC1,0,GDB ChEMBL
192562,CC1=CC2(C)OC1CC(O)C2[NH+](C)C,0,GDB ChEMBL
251071,CCC(O)C1CC1C1CC1CO,0,GDB ChEMBL
277448,CC12COC(C(O)C(F)(F)F)C(N1)C([NH3+])C2,0,GDB ChEMBL
368202,CCC1C(C(C)CC(C)C)C2CCC1C2(C)C,0,GDB ChEMBL
6804,CC1C=CC=CCC1C1CCCCC1(C)C,0,GDB ChEMBL
358149,CCC(Cn1cnsc1=O)C(=O)[O-],1,GDB ChEMBL
115875,CCC12CCCC1CC(OC(C)C)CC(C)C2,0,GDB ChEMBL
67363,CC12C(O)C(=O)NC1C2C#N,0,GDB ChEMBL
218532,CCNc1c[nH+]c(N(C)C)c(Br)c1NC,0,GDB ChEMBL
281644,C#CC[NH2+]C1(C#CC)CC(C)C(CC)C1,0,GDB ChEMBL
280599,CC(C)c1cnc2nc(O)ccc2c1Cl,1,GDB ChEMBL
214439,C[NH2+]CC(O)CN1CC(=O)OCC12CC2,0,GDB ChEMBL
308141,C#CC1(C([NH2+]C)C(=O)[O-])CC2CN1C2,0,GDB ChEMBL
164643,CN1CC2C(C(=O)C=CC2(O)CO)C1=O,0,GDB ChEMBL
325250,C[NH+](C)C1C=C(CO)C(CC2CC2)C1,0,GDB ChEMBL
386151,[NH3+]C1CC(=O)N2CCC2=C1COCC(=O)[O-],0,GDB ChEMBL
68657,N=C1OCC2[NH2+]CC(O1)C(C(N)=O)NCC2O,0,GDB ChEMBL
246920,CC1C2CC([NH3+])C(CC(=O)[O-])N12,0,GDB ChEMBL
79330,COC(CCC[NH3+])C(=N)N(C)C=O,0,GDB ChEMBL
390521,Cc1cc(I)cc2c1CC(C)CCCC(C)C2,0,GDB ChEMBL
353223,CCC1C=CC[NH2+]CC1(C)C,0,GDB ChEMBL
81045,N=C(N)NC(=O)C12CC=CC1(CO)C2,1,GDB ChEMBL
269181,Cc1ccn2c1C1CC[NH2+]CC(CC2)CC1C,0,GDB ChEMBL
201692,NC(=[NH2+])NC1=[NH+]C(CO)CCC1,0,GDB ChEMBL
367673,CCCCc1cc(N)sc1CC#N,1,GDB ChEMBL
361614,CS(=O)(=O)CC(O)(C=O)CC(=O)[O-],1,GDB ChEMBL
184274,CCC(C)n1c(F)c(C#N)c([O-])c(C)c1=O,0,GDB ChEMBL
318095,COC(=O)NC(CO)=NC(C#N)CN,0,GDB ChEMBL
352715,C[NH2+]CC(CCC(C)O)C1NC(=N)C(=O)C1O,0,GDB ChEMBL
156166,CC1(CO)CCc2nc(NC(N)=[NH2+])nn2C1,0,GDB ChEMBL
243346,Cc1c([O-])oc2ccnc(N)c12,0,GDB ChEMBL
191380,CCc1cnc2c(c1Cl)C(CO)C([NH3+])C2,0,GDB ChEMBL
340098,C[NH2+]CCC1C([NH3+])C1(C)C,0,GDB ChEMBL
296057,COC1C(=O)OC(CCO)C1(O)C(=O)[O-],0,GDB ChEMBL
325745,CCC(O)CCN=C1NCC(C[NH3+])O1,0,GDB ChEMBL
140376,C[NH2+]CC1NC(=[NH2+])CC1=O,0,GDB ChEMBL
372147,Cc1cccc(=O)n1CCO,1,GDB ChEMBL
261369,NS(=O)(=O)C1CC(CO)C([NH3+])C(O)C1O,0,GDB ChEMBL
259571,COCCCC1CC(C)C1O,1,GDB ChEMBL
229420,NC(=O)OCC1OC1C([NH3+])CO,1,GDB ChEMBL
200951,C#CC1(CC)CCC1CC[NH+](C)C,0,GDB ChEMBL
155198,N=C(N)N1C(=N)CC(N)=[NH+]CC1=O,1,GDB ChEMBL
252523,[NH3+]C1Cc2ccc(c(CO)c2)OC=NCC1O,0,GDB ChEMBL
355392,CCC#CCNC(N)=O,1,GDB ChEMBL
274193,O=C1CC2(CCCNC(=O)OC2)C1,1,GDB ChEMBL
344322,NC(=O)C1NCCS(=O)(=O)NC1CC1C[NH2+]C1,0,GDB ChEMBL
281623,CCC(C)c1cc(C[NH3+])n(CC(C)(C)C)c1C,0,GDB ChEMBL
236703,CN1C(C#N)C(OC(N)=O)CS1(=O)=O,0,GDB ChEMBL
206842,CCN(C=O)CC(CO)Nc1nnn[n-]1,0,GDB ChEMBL
300103,CCc1[nH]cc(C)c1CC(C)=O,1,GDB ChEMBL
293811,CCC(C)(C)CC1CC(CO)OC(OC)C[NH2+]1,0,GDB ChEMBL
180039,CCCC1C(CC)C2(C)CC1(C)CC2C(C)C,0,GDB ChEMBL
107000,CCS(=O)(=O)NC(=N)c1cnc(N)s1,1,GDB ChEMBL
119835,CC1NC(=O)C(C(N)=[NH2+])(C(N)C#N)C(O)C1O,0,GDB ChEMBL
332348,N=C(N)N(C(N)=O)C(C(N)=[NH2+])C(N)=O,0,GDB ChEMBL
245520,CN=COC(=O)[C-](C=O)NC(=O)OC,0,GDB ChEMBL
251461,CCC(C)C1(C)OCCCCC1[NH+]=CN(C)C,0,GDB ChEMBL
245488,NC1=[NH+]CCOC12CCCCC2,0,GDB ChEMBL
374947,CCC1C(OC)C2C3CCC2C13,1,GDB ChEMBL
222566,NC(=[NH2+])NC1(CCO)CC(=O)C1,0,GDB ChEMBL
48711,CC(C)C[NH+]1CCC(C#CC2(C)CO2)C1,0,GDB ChEMBL
143524,CC1(C#N)NC(C[NH3+])C(C)(CO)C1CC(=O)[O-],0,GDB ChEMBL
366007,NC(=O)C1C(CO)OCC2CC21,0,GDB ChEMBL
34809,N=C(CNC(N)=O)OCC1CCCC1[NH3+],1,GDB ChEMBL
84951,CN1C(=N)NC=NC(C=O)C1=O,0,GDB ChEMBL
132305,CCC(C)C([NH3+])C1(C)CC=CC1C(C)(C)O,0,GDB ChEMBL
317177,CC(C)c1cccc(CC#CC(F)(F)F)c1,1,GDB ChEMBL
216605,CN1C2=[NH+]CC(COC(=O)C1CO)N2,0,GDB ChEMBL
142408,CC1(O)CC(O)(C(=O)[O-])C2C([NH3+])C21,0,GDB ChEMBL
68658,COC1C2NCC(C(C)C2[NH3+])[NH+]2CCCC12,0,GDB ChEMBL
194404,COC1CC(CO)C(O)(C2CCOC2)C1[NH3+],0,GDB ChEMBL
109527,COC1OCC2C([NH3+])C12C(=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
148790,Cc1noc2c1C(C)(O)CCOC(=O)C2C,0,GDB ChEMBL
184224,C#CC[NH2+]C1CC(CC#C)C(C(C)C)C1CC,0,GDB ChEMBL
89665,CC1CC2C=CC1C(CN)[NH2+]2,0,GDB ChEMBL
209450,C#CCC(CC)CNS(=O)(=O)OCC,1,GDB ChEMBL
38775,CN1C(=N)NC(CO)C(O)CS1(=O)=O,0,GDB ChEMBL
385927,C[NH2+]CCC(C)C(=CC#N)C(C)=O,0,GDB ChEMBL
61503,CCc1cc(OC)c(Br)c(CC)c1C[NH3+],0,GDB ChEMBL
366618,NC(=O)OC1C(N)C(=O)NC2C(C[NH3+])C[NH2+]C21,0,GDB ChEMBL
53019,Clc1cc(Cl)c2c(c1)C=CC1(CCC1)C2,1,GDB ChEMBL
390493,Cc1nccsc(C)c(C)c(C(=O)[O-])n1,0,GDB ChEMBL
118472,CC1CC2(C)CC[NH+](C)C(C)(C1)C2CC[NH3+],0,GDB ChEMBL
162527,CCC1CC2C(CC)OC1C2[NH2+]C,0,GDB ChEMBL
29917,CC(C)(C)C(C)(CC1CC1)CC1CC[NH2+]C1,0,GDB ChEMBL
337972,C#CC(C#C)(CC)N1CCCC2[NH2+]CCC21,0,GDB ChEMBL
31792,CC#Cc1cccc2c1CCC=CC2CC,1,GDB ChEMBL
161820,C#CC1CC(O)CC(C#N)(COC(C)=O)C1C,0,GDB ChEMBL
398925,CC(CC(C)C1(C)CO1)C(F)(F)F,1,GDB ChEMBL
81097,CC1NC(=O)NC1c1cc(C(N)=O)no1,1,GDB ChEMBL
107805,NC(=O)Cc1nc(=O)cc([N+](=O)[O-])o1,0,GDB ChEMBL
203819,CC[NH2+]CC1OC(=N)OCCC1O,0,GDB ChEMBL
363590,C#CC(C)(C#C)CCCCOC(C)C(C)C,0,GDB ChEMBL
269165,CCC(C)c1ccc(Br)c(C(C)(C)CC)c1C,1,GDB ChEMBL
31269,C#CCS(=O)(=O)NCC(=O)CC,1,GDB ChEMBL
319322,CC(C)CC1CC2CC(C1[NH3+])C2(C)C,0,GDB ChEMBL
230513,CC1=C2C=Cc3cc(Br)ccc3C2C([NH3+])C1,0,GDB ChEMBL
140854,[NH3+]C1CNC(=O)CC2(CCO)OCOC12,0,GDB ChEMBL
337181,CN(CCC1CS(=O)(=O)C=CN1)C(N)=O,0,GDB ChEMBL
162491,COCC12C(C)=CCCC1C2O,0,GDB ChEMBL
115267,C[NH2+]C1CC(CC(O)C(=O)[O-])C2OC12C,0,GDB ChEMBL
103487,C[NH2+]C1CC2(C)CC1(CC#N)CO2,0,GDB ChEMBL
279265,CC(C)C1=CC(CC2CCCC2)CC1,1,GDB ChEMBL
115203,CCCC1CC1C1[NH2+]CC2CC21,0,GDB ChEMBL
303873,CC(C)C(NC(=O)CCCC[NH3+])C1(O)CC1,1,GDB ChEMBL
165619,COC1OCC(C#N)OC(CC[NH3+])C(O)C1[NH3+],0,GDB ChEMBL
33120,C[NH2+]CCCC(C)(C)C#CC(=O)N(C)C=O,0,GDB ChEMBL
331494,C=CC1NC12CCC(=O)NC(C)C2,0,GDB ChEMBL
228329,CC[NH2+]CC12C(=O)OC(C)(C)C1(C)OCC2O,0,GDB ChEMBL
233907,OCCCC1=CCCCOC1,1,GDB ChEMBL
89356,CC1CCC(C(O)C(N)=O)C([NH3+])C1,0,GDB ChEMBL
126974,C#CC#CC[NH2+]C(C)CCC#N,0,GDB ChEMBL
248619,O=C([O-])c1ccn[nH]c1=O,0,GDB ChEMBL
47815,C#CC1(C=O)CC([NH+](C)C)CC(C)CC1CC,0,GDB ChEMBL
50227,CCC(CC1CCC[NH2+]C1)C(CC[NH3+])CC[NH3+],0,GDB ChEMBL
195553,CC1CCCC2CC=C(CC2)C1,0,GDB ChEMBL
162508,CCCOC(=O)[C-]1OC(C)=NCC(NC)C1=O,0,GDB ChEMBL
221671,CC1[NH+](C)CC=CC2(CC(=O)[O-])OCC12O,0,GDB ChEMBL
16780,CCC1C2CCC1(O)C(C)C2OC,0,GDB ChEMBL
2363,NC(=O)OC1C(NC=O)CC2NC(=O)C([NH3+])C21,0,GDB ChEMBL
193322,CCC(C)(O)C1OC(C)=NC(CO)COC1=O,0,GDB ChEMBL
119431,COC(=O)COc1n[nH]cc1C#N,1,GDB ChEMBL
84916,CC1C2CC3CCCC3(C)C1C[NH+]2CCCO,0,GDB ChEMBL
206946,COCC1(C)CC(=O)NC2CN(C)C=[NH+]C21,0,GDB ChEMBL
370329,CCCC(COCC(C)C([NH3+])COC)NC=[NH2+],0,GDB ChEMBL
296092,CN1CC2CN(C)S(=O)(=O)CC1C2=O,0,GDB ChEMBL
54126,CC([NH3+])CC1CCCC2CCCC2(C)C1,0,GDB ChEMBL
231129,CC(CC(=O)[O-])Oc1c(N)nc([O-])sc1=N,0,GDB ChEMBL
5250,NC(=[NH2+])NCC1=CS(=O)(=O)[N-]C(=O)N1,0,GDB ChEMBL
255499,C[NH2+]C12CCC(CO)(CC1)C2,0,GDB ChEMBL
49108,CC(=O)N(C)C1(C)C2C(CO)CCC21[NH3+],0,GDB ChEMBL
216485,N=C1CC(C(CO)NC(N)=[NH2+])OCO1,0,GDB ChEMBL
84476,CC1CCC2(C)OC2C1O,1,GDB ChEMBL
266450,CCCC1CC2C(CC)C2C1[NH2+]CC(C)C,0,GDB ChEMBL
318352,CCCC(CO)C[NH+]1CC2CCCC21,0,GDB ChEMBL
133005,CC#CC#CC(C=O)c1cccc(F)c1,1,GDB ChEMBL
338636,[NH3+]CC(O)C(O)C(CO)Nc1cnc(O)cn1,0,GDB ChEMBL
260137,CC[NH+]=c1ccc(C(C)C#N)c(C)[nH]1,0,GDB ChEMBL
44590,COCC([NH2+]C1CC1)C(=O)[O-],1,GDB ChEMBL
56681,CCc1c(I)cc(C2CCC2)cc1I,1,GDB ChEMBL
130594,CC(=[NH2+])N(CCC(CO)=NO)C(C)C(=O)[O-],0,GDB ChEMBL
257484,O=C([O-])CC1CC2(C=CC(=O)N2)CC(=O)N1,0,GDB ChEMBL
222602,CNC(=O)C(C#N)Nc1ncns1,1,GDB ChEMBL
35267,CCC(CC)(CC)[NH+]1C2CC=CCC1CC2,0,GDB ChEMBL
290295,CCC(C)C12CCC(C)C[NH2+]CCC(C1)OC2,0,GDB ChEMBL
238179,CC12CC(CCC1[NH3+])C(=O)O2,0,GDB ChEMBL
386446,CCCCC1OC(CC)CC1=O,1,GDB ChEMBL
249604,CC([NH3+])C1C(O)C1(C(N)=O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
257545,CCC1(C)C(C[NH2+]C)CC([NH2+]C)C(O)C1C=O,0,GDB ChEMBL
258355,C#CC1C2CC=C(C)CCCCC12,1,GDB ChEMBL
26571,C#CC1OC(C)CC2CCC1CCCC(C)C2,0,GDB ChEMBL
51037,CN=c1[nH]cc(OC(C)=O)c(C(=O)CO)c1Br,1,GDB ChEMBL
41119,CC1C[NH2+]C2CC2CO1,0,GDB ChEMBL
322887,CC[NH+]=C(N)C(C)N(C)CC[NH3+],0,GDB ChEMBL
28952,N#Cc1c[nH]cc1N1CC=CC=CC1,1,GDB ChEMBL
330131,CCC(O)CC1=CC2(CCCCC2)CC1,1,GDB ChEMBL
151085,O=CCOC1CC2C[NH2+]CC2C1,0,GDB ChEMBL
130853,CCC1C2CC(CC(N)=O)(OC)C([NH2+]2)C1O,0,GDB ChEMBL
398870,CCOc1cc(OCC2([NH3+])CC2)cnn1,0,GDB ChEMBL
348413,CCC1C=CCCCN1C(=O)C1C([NH3+])C1O,0,GDB ChEMBL
333633,CC1NC(CC=O)C[NH2+]CC(C)C(C)NC1=O,0,GDB ChEMBL
28275,CN1CC([NH3+])C(O)(C(=O)[O-])CS1(=O)=O,0,GDB ChEMBL
285133,CC1(C)CC2C[NH2+]C1C1CCC([NH3+])CC21,0,GDB ChEMBL
61550,Cc1cc(F)ccc1CCCOC(C)C,1,GDB ChEMBL
252098,CCC(C)C1=CCC([NH2+]CC(C)(C)O)C1,0,GDB ChEMBL
150488,C[NH2+]CC(C)c1c(C)nsc1C(N)=O,0,GDB ChEMBL
284846,CC(O)(CC(N)=[NH2+])C1(CC(=O)[O-])C[NH2+]C1,0,GDB ChEMBL
29661,CC12CCCC=C1C1CC2C2C=CC1CC2,0,GDB ChEMBL
387035,CC(=O)N(C)CCC(C)C,1,GDB ChEMBL
341861,CCCCC1CC(C)CCCCCC(C)(C)C1,0,GDB ChEMBL
200724,CCOC(=O)c1cn[n-]c1NC=O,0,GDB ChEMBL
130452,COC1C(=O)CC=C2CCCCCCC21C,0,GDB ChEMBL
302639,COC(=N)NC(C)(C=O)C(CO)C(=O)[O-],0,GDB ChEMBL
174003,O=CC1(CC(=O)NCCO)CC(O)C[NH+]=CN1,0,GDB ChEMBL
334067,CC1C[NH+](C2(C3CC[NH2+]C3)CCCOC2)C1,0,GDB ChEMBL
166402,CCC(C)C1(N)C(=O)NCC(O)CC1(N)C#N,0,GDB ChEMBL
292295,CC1(CO)CC2C=C(C#N)C(C(N)=O)C2[NH2+]1,0,GDB ChEMBL
247337,Nc1nc(C2C3C=CC2C3)cs1,0,GDB ChEMBL
374037,CC(C)(C)C[NH2+]CC1(O)CCCC(=O)C(=O)C1,0,GDB ChEMBL
366072,CCCC(C)C1C2CC(O)C(C)C21,0,GDB ChEMBL
284711,N=C1CCC(O)C(O)(C(=O)[O-])C(O)C(CO)O1,0,GDB ChEMBL
354357,CC(N)(C(N)=O)C1OC(N)=[NH+]CC1CCO,0,GDB ChEMBL
136428,CCC1CC2C(C(C)O1)C2(O)CC(N)=O,0,GDB ChEMBL
328964,CC(=[NH2+])N(C)C(=[NH2+])N(C)CC#N,0,GDB ChEMBL
84876,CCN1CC2(CO2)CC1=O,1,GDB ChEMBL
281170,CCCC(OC)C1(C)C(C)CCC1C(C)(C)C,0,GDB ChEMBL
20750,CC(CCO)CC1CCC2(C)C[NH+]12,0,GDB ChEMBL
22865,C#CCC(=O)N(C)C(C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
228314,CC1OC2CC(C)(C[NH+](C)C2C)C2CC12,0,GDB ChEMBL
357602,CC(O)C1CNC2(C(N)=O)C(CC[NH2+]C2C)C1,0,GDB ChEMBL
194472,CCC12CCC([NH3+])C(C)[NH+](C1)C2C(C)O,0,GDB ChEMBL
221154,C#CCCCOc1cnc(=N)nc([O-])c1CO,0,GDB ChEMBL
177997,[NH3+]C(CC(=O)[O-])C12COC3C1C3(O)CN2,0,GDB ChEMBL
379216,C#CCCC(CCC)C(CC)[NH2+]CCCC=O,0,GDB ChEMBL
10969,CC1N(C(C[NH3+])C(N)=O)C1(C)CS(N)(=O)=O,0,GDB ChEMBL
165231,C[NH+]1CCCC2C3CC1C2C1CC31,0,GDB ChEMBL
281832,CCCc1sncc1CCCCOCC,1,GDB ChEMBL
386592,CC[NH2+]C1(COC)C2CC(C)C1C=CCO2,0,GDB ChEMBL
368487,CNC1=[NH+]C(CO)C(O)C(N)C1,0,GDB ChEMBL
201036,CC1CCOC2C[NH2+]CC2OC1(C)C,0,GDB ChEMBL
799,N=C1NC(=O)C(N)CC([NH3+])C(C(=O)[O-])O1,0,GDB ChEMBL
822,CC1CC([NH+]=C(N)N)CN2CC2C1O,0,GDB ChEMBL
263235,NC(=[NH2+])C1C2OC(C(=O)NC2=O)C1O,0,GDB ChEMBL
313323,CCCNc1c(Br)cc(C[NH3+])c(OC)c1Br,0,GDB ChEMBL
353582,COc1cncc(C)c1OC,1,GDB ChEMBL
345768,CCCC1[NH2+]C(CC)C(C)C(C2CC2)C1C,0,GDB ChEMBL
34238,CC(=O)[N-]S(=O)(=O)C1C(O)C1CS(C)(=O)=O,0,GDB ChEMBL
365702,C#CCN(C)CC1C[NH+]=C(CC(C)C)N1,0,GDB ChEMBL
147259,CCCC(C)C1(C)C=C(C)CCC1C,0,GDB ChEMBL
97750,CC1=CCCOC1C#N,1,GDB ChEMBL
389455,CC1[NH2+]CC2CC(O)C(CCC1[NH3+])O2,0,GDB ChEMBL
311621,CCS(=O)(=O)Cc1sc(NC)nc1CCO,1,GDB ChEMBL
376649,NC(=O)c1ccc(N)c(C=O)c1,1,GDB ChEMBL
209733,CCCC#CC(C)(C)Cn1ccc(C)c1O,0,GDB ChEMBL
115545,COC(CNC(C[NH3+])CC#N)C1CO1,0,GDB ChEMBL
4929,CCC(C)C1(C)C(=O)CC2CCCC1C(C)C2,0,GDB ChEMBL
127285,CCCCC1CC(=O)C1C(N)=O,1,GDB ChEMBL
278865,CCC1(C)CC=CCC=CC(C)C1,0,GDB ChEMBL
48205,CC[NH+]1CC2C3CC1C(O)C32C,0,GDB ChEMBL
392280,COC(=O)C(N)C(CO)NC1COCOC1=O,0,GDB ChEMBL
4915,CC[NH+]1C2CCC1C1C([NH3+])C1C=CCC2O,0,GDB ChEMBL
342340,C[NH2+]C(C)C(OC(C)=O)C1(C)CC=CC1,0,GDB ChEMBL
129847,CC#CC[NH+](C(C)(C)C)C(C)(C)C,0,GDB ChEMBL
313769,CN=C(C#Cc1cccc(I)c1)NC(N)=[NH2+],0,GDB ChEMBL
255129,CC[NH+](C)C1CC(C)C(C)(C)CC(=N)OC1=O,0,GDB ChEMBL
165652,CC#CCC(C)(C)C1CC(CC)CC1C,0,GDB ChEMBL
12766,CC1COC(=O)C2(CC2)C2CC(C[NH2+]1)C[NH2+]2,0,GDB ChEMBL
5027,CC(O)C(CO)NC(C)(C)C[NH3+],0,GDB ChEMBL
349648,COC(C)(C(N)=[NH2+])C(O)CC(C)(C#N)C(N)=O,0,GDB ChEMBL
174158,CCC1C2CCC1C(CCCC1CC1)C2C,0,GDB ChEMBL
182104,CC(=[NH2+])NC1(C)C[NH2+]CC(C)(C)C1CC(=O)[O-],0,GDB ChEMBL
258233,O=Cc1c(CO)nn2ccnc(O)c12,1,GDB ChEMBL
136528,Cc1cccc2cnsc12,1,GDB ChEMBL
16541,CCC1CC2C(=O)OCC(OC2C[NH3+])C1(C)O,0,GDB ChEMBL
92867,[NH3+]CCNC(=O)OCc1ncoc1[O-],0,GDB ChEMBL
397103,CCNC(=O)C1OC1CC,1,GDB ChEMBL
5012,CCc1cc(Br)c(C2CC2)c(C)c1C,1,GDB ChEMBL
317935,CN(C=NC(C)(C)C#N)c1ccnc(Cl)c1,0,GDB ChEMBL
107795,CN(CC[NH3+])CC(=O)Nc1cn(C)cc1C[NH3+],0,GDB ChEMBL
6111,CCC1CC(C)(CC#N)[NH2+]CCOC1C,0,GDB ChEMBL
337803,CC1=CCC(C)CC(C)C[NH+](C)CC1(C)C,0,GDB ChEMBL
244661,C#CC1[NH2+]CC1(C)C(=O)[O-],1,GDB ChEMBL
222909,CCCC1CCC2C(C)C1CC1CCCC12C,0,GDB ChEMBL
355771,CC1(CCO)C2CNC(C[NH3+])C1N(C(N)=[NH2+])C2,0,GDB ChEMBL
35727,C#CCOC1(C)CCC2(CC1)CC(C)C[NH+]2C,0,GDB ChEMBL
388408,CNC(=O)C(O)C(C)(C)c1ccncc1F,1,GDB ChEMBL
343990,CCN1C=C(C)C(=NO)C(C(O)C2CC2)C1=O,1,GDB ChEMBL
330955,CC1=CC2CC(C)CC2C2CCCCC12C,0,GDB ChEMBL
148378,CC(CC[NH3+])CCOC(=O)N(C)CS(=O)(=O)[O-],0,GDB ChEMBL
228923,[NH3+]C1C(O)C(O)C(O)(C(=O)[O-])C1(O)CCO,0,GDB ChEMBL
378592,NS(=O)(=O)CC1(O)CCNC(=O)NC1,0,GDB ChEMBL
307604,CCCN=CNc1nc(N)c(O)c(Cl)n1,1,GDB ChEMBL
163877,C#CC1CC1OCCC=CC[NH2+]C,0,GDB ChEMBL
51871,COC1CC(N)C12CC(C)C[NH2+]2,0,GDB ChEMBL
277902,C#CCc1c(C)c(Cl)c2cccc(Cl)c2c1C,1,GDB ChEMBL
16773,C#CC1CCCN1CC=O,1,GDB ChEMBL
54121,CC(=O)CC1[NH2+]C2(C(N)=O)CC(C)CC1C2O,0,GDB ChEMBL
215351,C#CC(C)C(=O)N(C)C(C)=N,1,GDB ChEMBL
21888,CC1C2C(O)Cc3ccccc3C12C,0,GDB ChEMBL
221142,C[NH2+]CCC1(C[NH2+]C)CC(=O)NC(C)CO1,0,GDB ChEMBL
282004,CC(C)OC1CC1C(C)c1ccco1,1,GDB ChEMBL
317599,CC(O)CCC[NH2+]C(C)CN,0,GDB ChEMBL
312248,CCCCC1CCC(C)=CC=C(C)C1,0,GDB ChEMBL
151156,CC12CC(=O)NC(C1)C1CC12,1,GDB ChEMBL
168420,CC(C)(C)C(CC#N)C1CC=CCC1,1,GDB ChEMBL
29972,C=CCC1CCC(O)C1N1CC1C,0,GDB ChEMBL
252331,N#CCC(=N)Oc1cc(N)c2[nH]ccc2n1,0,GDB ChEMBL
227604,CCNC(=O)CN=C(N)c1noc(=O)[nH]1,1,GDB ChEMBL
65898,Cc1cc(C[NH3+])nc(Cc2cnoc2)c1,0,GDB ChEMBL
394897,NC(=O)NC(C[NH3+])(CO)C(O)C(=O)[O-],1,GDB ChEMBL
280888,CC(=O)OC1CC2(C[NH3+])C(CN2C)C1[NH3+],0,GDB ChEMBL
247367,CC1(C#N)[N-]C(=O)C2(C[NH3+])OC(=O)NC12,0,GDB ChEMBL
234964,CCN=C(NC(=O)CC)C1(CO)CCC(C)O1,0,GDB ChEMBL
156232,CC1CC(C)(C[NH3+])OC1=O,1,GDB ChEMBL
234524,C[NH2+]C1CN(C(C)C[NH3+])C1,0,GDB ChEMBL
390492,CCC1(C)OC(C(O)C[NH3+])C(O)(CO)C1C#N,0,GDB ChEMBL
169411,Nc1c(NC=O)ccc(Br)c1O,1,GDB ChEMBL
253620,CN1C2C(C(=O)[O-])CC(=O)C21CS(N)(=O)=O,0,GDB ChEMBL
228367,CC1CC(O)C(C[NH3+])CCC(=O)NCC1(C)O,0,GDB ChEMBL
156042,COC1C(O)CC2CC(O)CCCC21,1,GDB ChEMBL
274217,CC(C)(O)COC1C2CCC21,1,GDB ChEMBL
244615,CCc1cc2c(cc1Br)CCC(C(C)C)C2,1,GDB ChEMBL
241119,O=C1NC2C=CC(=O)C2C1O,1,GDB ChEMBL
109541,CC(CC1CC(C)C(C)C1)c1ncccc1Br,1,GDB ChEMBL
130354,CNC(=O)CC(N)CNC=[NH2+],0,GDB ChEMBL
225844,CNS(=O)(=O)OCCNCC[NH2+]CC1CC1,0,GDB ChEMBL
77071,C=C(c1ccc(F)cc1)C1CCC1,1,GDB ChEMBL
313364,Cc1cccc(C=CC=O)c1C#N,1,GDB ChEMBL
395932,CCC1CC=CC(C)CC1C(C)(C)C,0,GDB ChEMBL
351355,CCC1CC=C(CO)C1[NH2+]C,0,GDB ChEMBL
330909,[NH3+]CC1CC2(C(=O)[O-])OC12,1,GDB ChEMBL
338614,C#CCC(C)CC1(C(C)C)CCC(CO)C1,0,GDB ChEMBL
371726,CCCC1([NH2+]C)CC2CC(CC)CCC2C1C,0,GDB ChEMBL
138378,Cc1cc(O)c(F)cc1N1CC1C,1,GDB ChEMBL
29741,NC(=O)C(CO)C1(C[NH3+])OC1C(O)C(=O)[O-],0,GDB ChEMBL
50344,C#CCCC=CCCC(C)CC#C,1,GDB ChEMBL
130850,C#CC(C)(CC(C)C)c1cc(F)ccc1C,0,GDB ChEMBL
189848,COC1C2c3cccc(Br)c3C1C1CC12,1,GDB ChEMBL
84559,C#CCC(C)[NH2+]CC(C)(C)C,0,GDB ChEMBL
346882,O=C1OC2CC(O)C1C2CO,0,GDB ChEMBL
84988,C#CCC(C)CCC1=CC[NH+](CCC)C1,0,GDB ChEMBL
182509,Cc1c(Br)cc(N)c(O)c1Br,1,GDB ChEMBL
385626,COCC1NS(=O)(=O)CC1C(=O)C(=O)[O-],0,GDB ChEMBL
44101,CC1[NH2+]CC(N)C(C)C1(O)CO,0,GDB ChEMBL
277446,O=C1Cc2c(cn[nH]c2=O)CO1,0,GDB ChEMBL
43968,NC(=[NH2+])NC(C[NH3+])CCC[NH3+],0,GDB ChEMBL
112031,CC1=CCN2C(=O)C3(CO)NC3C2CC1=O,0,GDB ChEMBL
319809,N#CC1CNC(C(=O)[O-])C(=N)O1,0,GDB ChEMBL
126969,C[NH2+]C(C(=O)[O-])C1CC1,1,GDB ChEMBL
278849,[NH2+]=C1NC(C(=O)[O-])C2CNC(=O)C1N2,0,GDB ChEMBL
250534,CC1C=CC2C1C(C)CCCC2(C)C,0,GDB ChEMBL
195512,CCCC(=O)Cc1ccc(C#N)ccncs1,0,GDB ChEMBL
344267,C=CCn1ncc(CC[NH3+])c1NC,0,GDB ChEMBL
21527,CC1(C)C=Cc2cc(Br)cc3c2C(CC3)C1,0,GDB ChEMBL
382211,[NH3+]C(CC(=O)[O-])C1OC1C1CN1,1,GDB ChEMBL
41090,CC1CC(O)(CC2(CO)CCCCC2)CO1,0,GDB ChEMBL
89682,C#CCCCC1CC2CC1C2(C)C,1,GDB ChEMBL
271081,CC(=O)NCC1(C#N)CC(O)CC1C(C)(C)C,0,GDB ChEMBL
76368,C[NH+](CC1(O)CC1)C1CC([NH3+])C1,0,GDB ChEMBL
120888,N#CC1(CC(N)=O)C2NC(=O)C(O)C([NH3+])C21,0,GDB ChEMBL
221359,CCC(NC(N)=[NH2+])C(CO)N(C=O)C=O,0,GDB ChEMBL
144489,CC1CCCCC2(C)CCC(C)C2CC1,0,GDB ChEMBL
228802,COCCc1csc(C[NH3+])c1[O-],1,GDB ChEMBL
311044,CC1=CC=CCCCC(CC2CC2)=C1,1,GDB ChEMBL
185301,COC1CC2C(O)CCC([NH3+])C2(O)C1,0,GDB ChEMBL
125671,CCCC(=O)CC1(CCC)CC1CCO,0,GDB ChEMBL
246810,NC(=O)CC(O)C1C2CC([NH3+])C1O2,0,GDB ChEMBL
16053,CC12COCCc3cc(F)ccc3C1C2,1,GDB ChEMBL
338382,NC(=O)C(N)C([NH+]=C(N)N)C(O)CO,0,GDB ChEMBL
292327,CC1C(C)C2C3CCC3C1[NH+]2C,0,GDB ChEMBL
300925,CC1CC2C3C=CC2C3[NH+]1C,0,GDB ChEMBL
255463,CCCC([NH3+])C1[NH2+]CC1C,0,GDB ChEMBL
368520,CC1CC(C([NH3+])COC(=N)NC(N)=O)OC1=O,0,GDB ChEMBL
115900,CCC12CC3CC(CO3)[NH+](C1)C2,0,GDB ChEMBL
228403,COC1CC(O)C(O)C2(N)C(=O)OCC2C1O,0,GDB ChEMBL
254260,CC(C)(C)C1CC2CCC3CC[NH+](C1)C32,0,GDB ChEMBL
385467,NC(=O)C([NH3+])C(CCO)CS(N)(=O)=O,0,GDB ChEMBL
308684,C=C1CCC1C=C(C)CCC(=O)[O-],1,GDB ChEMBL
104683,NC(=O)CN(C=O)C(=O)CC(O)C1([NH3+])CC1,0,GDB ChEMBL
255364,C=CC(=O)C(O)(CC)C(C#N)CO,0,GDB ChEMBL
190089,CCCC1CC(C)C2CCC1CC2,0,GDB ChEMBL
190314,CCCC(C)(C[NH2+]C)C(C)C(N)=[NH2+],0,GDB ChEMBL
147924,C[NH2+]C1(C)CC2CC(CC([NH3+])CCO)CC1C2,0,GDB ChEMBL
348637,CC1CCC1N1C(=O)C2NCC([NH3+])C1C2O,0,GDB ChEMBL
387226,Cc1ncc(CC[NH3+])c(C)nc(C#N)c(O)[nH]1,0,GDB ChEMBL
47549,C[NH+]1CC(N)=NC2C(O)C2C1C(=O)[O-],0,GDB ChEMBL
318790,NC(=O)c1c(O)ncc2[nH]c(N)nc12,1,GDB ChEMBL
47341,C[NH2+]C1(C)C2C(CC[NH+](C)C)C2CC1(C)O,0,GDB ChEMBL
352691,CC1=CCC2([NH2+]C(C)CC2O)C1C[NH3+],0,GDB ChEMBL
40291,O=C1CC2NS(=O)(=O)C3C1C23C(O)CO,0,GDB ChEMBL
261446,CC1[NH2+]CC2(C)OC2CC=C1C(=O)[O-],1,GDB ChEMBL
76480,CC1C(O)C2CCC1C2(C)CO,0,GDB ChEMBL
188061,CNS(=O)(=O)C1OC1(CC(=O)[O-])CC(C)O,0,GDB ChEMBL
305173,O=C1COCC2CC=C(CO)N12,0,GDB ChEMBL
45040,C#CCOC1C2(O)C[NH+](C)CC12COC,0,GDB ChEMBL
227537,NC(=O)C12CC1C(O)C(C(=O)[O-])[NH2+]2,0,GDB ChEMBL
283282,CC1CC2C(C(=O)[O-])[NH2+]CCC(C)(C)C12,0,GDB ChEMBL
161052,CCCCC1CC(CC)C(C)(C(C)(C)C)C1,0,GDB ChEMBL
77792,Ic1cccc(C#Cc2ccccc2)c1,1,GDB ChEMBL
166428,CC1C[NH2+]C2C(C[NH3+])CC1C2C,0,GDB ChEMBL
395158,COc1cc(CO)nc(S(=O)(=O)C#N)c1,0,GDB ChEMBL
61267,CC1C2C=CC(C2)C1CC[NH3+],0,GDB ChEMBL
321970,C=CCC1CC(NCC#N)CC1[NH3+],0,GDB ChEMBL
72018,C[NH+](C)CC(C)(C)CCCc1ccc(F)cc1,0,GDB ChEMBL
280488,CCCC(C)C1CC2CC(O)CC2C1C,0,GDB ChEMBL
316479,COC(=O)C1N2CCOCC12C(C)(C)[NH3+],0,GDB ChEMBL
230506,NC(=[NH2+])CN1CC(=O)OC(CCO)C1=O,1,GDB ChEMBL
54080,CCCC1(C(C)C)CC(C(=O)[O-])C1,0,GDB ChEMBL
25227,O=C1CNC2C3[NH2+]C(CN1)CC23O,0,GDB ChEMBL
398823,COC(=O)NC(=O)Cc1nc(N)oc1C=O,1,GDB ChEMBL
372128,NC(=O)c1c[nH]c2ccnn2c1=O,1,GDB ChEMBL
344344,CCC(CC)C1(c2ccsc2)CN1CCO,0,GDB ChEMBL
147573,C=C(C)C(O)(CC)C(O)C(O)CC,1,GDB ChEMBL
102174,C[NH2+]CC(C)Oc1ccc(NC(C)=O)c(I)c1,0,GDB ChEMBL
222558,CCOCC1CC1([NH3+])CC(C)C,0,GDB ChEMBL
254235,CC1=NCCCC(=O)C2(CC(C#N)N(C)C2)O1,0,GDB ChEMBL
195370,C[NH2+]C1CCC2(CO2)CC1CC(C)C,0,GDB ChEMBL
338604,CC1(N)COCC2[NH2+]C1C(O)C2C(=O)[O-],0,GDB ChEMBL
309625,CC1(O)C([NH3+])C(OC(N)=O)C2CCC[NH2+]CC21,0,GDB ChEMBL
84467,CC1=CCCCC(C)(O)C1C,1,GDB ChEMBL
383768,Ic1cc2c(cc1I)NCC2,1,GDB ChEMBL
179991,C#CC(=O)OC(C[NH3+])C([NH3+])C(O)C(O)C[NH2+]C,0,GDB ChEMBL
349982,CCc1cc(CCC(C)OCCC[NH3+])cn1C,0,GDB ChEMBL
288548,CCc1ccc(CC2CC2(C)C)c(C)c1,1,GDB ChEMBL
338316,CCN(Cc1nc(N)cc(=O)s1)C(=O)OC,0,GDB ChEMBL
157362,CN(C)C(=[NH2+])C1C(C(=O)C(N)=O)CCC1(C)O,0,GDB ChEMBL
219540,C#CC(OCC)C(CCC)C1C2CCCC21,0,GDB ChEMBL
174239,CC[NH2+]C(C)C(CCC#N)=NO,0,GDB ChEMBL
63155,COCCC1CC1C=CC1CC1C,0,GDB ChEMBL
305571,NC(=O)NC(=O)C1(N)C([NH3+])C1C(O)C[NH3+],0,GDB ChEMBL
238198,CCCC1(C)C2CCC(C)C(C2)[NH2+]C1(C)CC,0,GDB ChEMBL
133335,CCC1(C)C(=O)C2c3cccc(C)c3C1C2C,0,GDB ChEMBL
266495,CCc1n[nH]cc1CC1CC(O)C1,0,GDB ChEMBL
9677,CCCc1c(N)nn(CCCCOC=O)c1C,1,GDB ChEMBL
395954,CC(CO)(C(O)C[NH3+])C([NH3+])C(=O)NC=N,0,GDB ChEMBL
395142,CCCC1CC2C(C)[NH+](C(C)C)CC12C,0,GDB ChEMBL
112467,C=CC12CCCC1[NH+](C)CC2(C)C,0,GDB ChEMBL
398786,CC1C[NH+]2CC3CCC2(CC3)C1,0,GDB ChEMBL
210270,CCOCC1(C)CC(CO)COC1C,0,GDB ChEMBL
187207,CC1=CC=CC[NH2+]C(CC(C)C)C12CCC2,0,GDB ChEMBL
17547,Cc1noc(=N)c(CC(=O)[O-])n1,0,GDB ChEMBL
161988,C=CC1OC1(C)C(C#N)C([NH3+])CC,0,GDB ChEMBL
130625,CCCOCc1cc(C(C)C(C)C)[nH]c1C,0,GDB ChEMBL
210257,CC#CCN1CC2NC2C1,1,GDB ChEMBL
289829,CC#CC1(C2CC[NH+](C)CC2C)CC(C)C1,0,GDB ChEMBL
143163,CCCC1C2CCCC(C)=CC(C)C12,0,GDB ChEMBL
16545,CCC(=NC)OC(=O)CC[NH2+]C,1,GDB ChEMBL
283405,NC(=[NH2+])C12CCOC(=O)C1NC(CO)C2,0,GDB ChEMBL
288929,CC12CCC(=O)N(CCC3CC(C3)C1)C2,0,GDB ChEMBL
191728,C=C(C)C(=O)N(CC)C1CC1C=O,1,GDB ChEMBL
89086,CC(C1NC(=O)C2CCOC21)S(C)(=O)=O,0,GDB ChEMBL
226247,CCC1C(COC)CC([NH2+]C)C1(C#N)CNC,0,GDB ChEMBL
235971,CCCC[NH+]1CC(CC2CC=C(C)C2)C1,0,GDB ChEMBL
156085,CC(C(O)CO)C1OC1CCO,0,GDB ChEMBL
215329,CCC([NH2+]C)C1(C)CNC(=O)CN1,0,GDB ChEMBL
356854,C[NH+]1CC(O)CCC(C)(CNC=O)C1,0,GDB ChEMBL
288505,O=C1CCC2CCCC(N1)C2O,1,GDB ChEMBL
83128,C#CC1OC1C(C(=O)[O-])C1CCC(C[NH3+])O1,0,GDB ChEMBL
94718,COC(=O)C1OCCCC1(C)CC#N,0,GDB ChEMBL
330358,CCCc1c(C)c(Br)cc2sc(C)c(C#N)c12,1,GDB ChEMBL
301177,C#CCNC(CNC=O)C(C[NH3+])C1OCCO1,0,GDB ChEMBL
132201,Cc1cc(=O)[nH]nc1OC1COC1,1,GDB ChEMBL
140312,CCn1cc(CCC([NH3+])C(=O)[O-])cn1,1,GDB ChEMBL
153280,CCN(C)C(=O)c1n[c-](C=O)c(=O)o1,0,GDB ChEMBL
207907,O=C1CNCC2CN(CC[NH2+]2)C1,0,GDB ChEMBL
340516,C#Cc1cccc(C)c(CC(C)CCC)c1=O,0,GDB ChEMBL
340447,OCc1nccccc2nc(c1CO)OC2,0,GDB ChEMBL
115996,CN1CC(O)CC(C(O)CO)C(C#N)(CO)C1,0,GDB ChEMBL
124562,CC([NH3+])CC1Cc2cc(Br)cc(O)c2C([NH3+])C1,0,GDB ChEMBL
39779,CCC(O)C(N)C(=O)OC1(C)CC2C[NH+]2C1,0,GDB ChEMBL
77327,CC(C[NH3+])C([NH3+])CC1C(C)C(=O)OC1C(=O)[O-],0,GDB ChEMBL
173714,CN(C(=O)CCCC[NH3+])c1c[nH]cn1,1,GDB ChEMBL
34173,C#CC1C(O)CC(C)(CCC)CC(=O)C1CC,0,GDB ChEMBL
354429,C#CCC(C(C)OC)C1CC(C)(O)CC1(C)C,0,GDB ChEMBL
290124,CCCCCCc1c(C(N)=[NH2+])c([O-])cn1C=O,0,GDB ChEMBL
28152,CC[NH2+]C(c1c(C)noc1C(C)(C)C)C(C)O,0,GDB ChEMBL
387236,CC(=O)CC1[NH+]=C(N)CCC1C(C)C,0,GDB ChEMBL
259694,C#CC[NH+]1CC(C)C2(CC(C)CC)CC12,0,GDB ChEMBL
156203,C#CCc1cc(Br)c(C2CC2)c(Br)c1,1,GDB ChEMBL
209893,CCC(C)CCC(C(C)C)C(C)C(C)C,0,GDB ChEMBL
380297,C#CC(C#C)OC(C)(CC)C[NH2+]C,0,GDB ChEMBL
55505,COc1ccc2nc3n(c(=O)c2n1)CCO3,1,GDB ChEMBL
5317,O=CNc1c([O-])c(Cl)cc2nonc12,0,GDB ChEMBL
199026,O=C1NC2CC(O)C1Cc1ncsc12,0,GDB ChEMBL
252856,CCC1(C)OCC2(C)C(C)OC(CO)C12,0,GDB ChEMBL
62840,N=c1[nH]c(OCC(O)CC(=O)[O-])ncc1N,1,GDB ChEMBL
334361,C#CCC(CC(C)(CC)CC)[NH2+]C(C)C,0,GDB ChEMBL
355794,CCC1C=C2CC([NH3+])CC2CC[NH+]1C,0,GDB ChEMBL
359042,CC(=O)Nc1nc(O)cc(N)c1O,0,GDB ChEMBL
301174,C=CC=C(C)CC1(C[NH+](C)C)CO1,0,GDB ChEMBL
193755,CC(C#N)NCCC12CC1C=CC(=O)N2,0,GDB ChEMBL
355363,CCC[NH2+]C1CC2CC2(C([NH3+])C(=O)[O-])C1,0,GDB ChEMBL
6100,CCCCN(C=[NH2+])C(N)=[NH2+],0,GDB ChEMBL
121487,CCC1CC1C(C[NH3+])OS(N)(=O)=O,0,GDB ChEMBL
280584,COC(=O)C12C(=O)C(C=C1C)C(C)C1CC12,0,GDB ChEMBL
320425,[NH3+]CCC(O)CNS(=O)(=O)C1CCOC1=O,0,GDB ChEMBL
383294,CC1(O)CCC2OC(=[NH2+])NCC3CC(=O)CC321,0,GDB ChEMBL
363132,CC1C(O)CC2C1C=CCC2(C)C(C)C,0,GDB ChEMBL
186604,C#CC[NH+]=C1NC(C)(C)C(OC(C)=O)CN1C,0,GDB ChEMBL
156727,CC1=Cc2cc(F)c(C)cc2C(C)(C#N)C1,1,GDB ChEMBL
292971,COC1C(CC([NH3+])C2CC2)[NH2+]CC1(C)O,0,GDB ChEMBL
34761,CCCC1C(O)C(C)C2C=CCC21C,1,GDB ChEMBL
244358,C#CCCCC(CC(C)C)C(C)OCC,1,GDB ChEMBL
290320,C#CC(O)C([NH3+])C1CC1C[NH3+],0,GDB ChEMBL
34922,CN1CC2OC(=O)CCOC(C)(CC2C#N)C1,0,GDB ChEMBL
306263,CC[NH+]1CC2(CCOCC2)C1,1,GDB ChEMBL
330369,NC(=O)C1NC(CO)C1C[NH3+],0,GDB ChEMBL
5254,CCCC(C)(CC)c1cc(Br)cc(C)c1CC,1,GDB ChEMBL
84241,CC1CC2CC3C[NH+]1CC2C3CO,0,GDB ChEMBL
395172,Cc1cc(C2CC2)c(C)c(C=O)c1N,1,GDB ChEMBL
98904,O=C1NC2C(=O)COC(=O)C(N1)C2O,0,GDB ChEMBL
40893,CCC1(C)C(=O)CCCC(=[NH2+])N2CCC1C2C,0,GDB ChEMBL
383325,CCC[NH2+]C1C(CS(N)(=O)=O)C1(C)O,0,GDB ChEMBL
190319,CC([NH3+])COC(=O)Nc1cnsc1,1,GDB ChEMBL
182273,CC(NC(N)=O)C(O)c1ccc(CCC[NH3+])[nH]1,0,GDB ChEMBL
97171,COC(=N)CC([NH3+])CCC[NH3+],0,GDB ChEMBL
85675,[NH3+]CC1CCCC1(C[NH3+])C(=O)[O-],0,GDB ChEMBL
26045,CNc1cc(C(C)C(=O)N(C)C)c(O)nc1F,0,GDB ChEMBL
156170,CCCC(O)C(O)CC(=O)[O-],1,GDB ChEMBL
130875,CC1CC(C2CCCO2)C2(C)C[NH2+]C12,0,GDB ChEMBL
376644,C[NH2+]C1CC(C#N)C(C[NH3+])C1C(C)[NH3+],0,GDB ChEMBL
209839,COC(=O)COC1CN=CNC1C#N,0,GDB ChEMBL
322830,CC(=O)c1ccnc(CC=O)c1F,1,GDB ChEMBL
85674,C#CC1C2CC(Cc3cc(C)ccc32)C1C,1,GDB ChEMBL
318550,CC1CCCOC2CN3CC3C12,0,GDB ChEMBL
169371,CCOC(=O)C1C([NH3+])CNS1(=O)=O,0,GDB ChEMBL
281650,[NH3+]C1CC(=O)OC1C(O)CS(=O)(=O)[O-],0,GDB ChEMBL
311305,CCCCCC(C)Cc1cn(CC#N)c(O)n1,1,GDB ChEMBL
24771,C[NH2+]CC1C(C)OC2CC(C)([NH3+])C1CCCO2,0,GDB ChEMBL
44362,C#CC1OC2COC1(CC(=O)[O-])C2[NH3+],0,GDB ChEMBL
142382,CC#Cc1ccc(C#CC(C)C)c(Br)c1,1,GDB ChEMBL
127484,CCOC(=O)c1ccncc2c(N)cc(O)c1-2,0,GDB ChEMBL
222569,CCN(C)C(=O)C1NC(C[NH3+])C1O,0,GDB ChEMBL
281049,O=C1NCC(O)C2[NH2+]CCNC12,0,GDB ChEMBL
190221,N#Cc1cnc(=[NH2+])[nH]ccoc1C(N)=O,0,GDB ChEMBL
62102,CN1CCNC(=[NH2+])NC(C#N)C1,0,GDB ChEMBL
330082,CCc1cc(Cl)c(Cl)c2c1C1CC2C1C,1,GDB ChEMBL
261421,CCC(C)C1NC(=O)C2OC21,1,GDB ChEMBL
349645,CCOC(=O)CC(NCCOC(C)C)=[NH+]C,0,GDB ChEMBL
81140,CC(=O)c1nnc(N)cc(=O)c1S([NH-])(=O)=O,0,GDB ChEMBL
179496,COC1(C[NH3+])C[N-]C(=O)C1C#N,1,GDB ChEMBL
201161,C#Cc1ccc(Br)c2c(C(C)C)cc(Br)cc12,1,GDB ChEMBL
79240,CCCn1cnc(C#N)c1O,1,GDB ChEMBL
332398,CCC(C(N)=O)C1(O)CC1[NH3+],0,GDB ChEMBL
112066,COC(=O)C1OC1C(CNC(N)=O)=N[O-],0,GDB ChEMBL
201082,C#CC1=CCCCC(C)C(C)(C)CCC1,0,GDB ChEMBL
129430,CC1CC(N)(C(F)(F)F)C(C)(O)CC(O)C1[NH3+],0,GDB ChEMBL
383724,COCCNS(=O)(=O)c1cc(C)n(CC#N)c1,1,GDB ChEMBL
26899,Nc1cnc(C(=O)[O-])c2c1OCC2,0,GDB ChEMBL
252614,CC(CCN=c1[nH]nncc1N)C(=O)[O-],0,GDB ChEMBL
217709,NS(=O)(=O)OC1CC([NH3+])C(NC=O)C1,0,GDB ChEMBL
343934,C[NH2+]CC(C)C1CN1C=O,0,GDB ChEMBL
61506,C#CC1(OC)CCCC(C)C(C[NH3+])C1(C)[NH3+],0,GDB ChEMBL
151129,CC#CCC1C[NH2+]CCC1C,0,GDB ChEMBL
33295,C#CC12CC1C[NH+](CCC)C2,0,GDB ChEMBL
112038,CCC1(C)CC(C)OC(C)C1,1,GDB ChEMBL
64123,CC#CC(=O)NC(CC)Cc1ccns1,1,GDB ChEMBL
121738,C[NH2+]C1CNCC([NH3+])CC(=O)N2CC12,0,GDB ChEMBL
353583,C#CCC=C1CC(CCO)CC1C,0,GDB ChEMBL
203755,CCCC1COC(C)(CCO)CCCC1CC,0,GDB ChEMBL
23548,CC(C)C1(COCc2cn[nH]c2)C[NH2+]C1,0,GDB ChEMBL
58930,CC1(CC#N)CCC2(CCCC2=O)CC1,1,GDB ChEMBL
286887,C#Cc1ccc(C(C)C)c(C#C)c1F,1,GDB ChEMBL
122710,CCCCCCC1=CCCCC=CC1,1,GDB ChEMBL
141763,C[NH2+]CC(C)C1(C(F)(F)F)CCCC1,0,GDB ChEMBL
4950,CC1[NH2+]C2CCCC3OC1CC23,0,GDB ChEMBL
235682,Cc1cc(Br)c(CCC(C)([NH3+])C(C)O)cc1N,0,GDB ChEMBL
38879,CCc1cc(N(C)C)cc([N-]S(=O)(=O)C#N)n1,0,GDB ChEMBL
389449,COC1OC(CO)C([NH3+])C1C,0,GDB ChEMBL
216176,CCCC(N)(C[NH3+])COC1CC[NH2+]C1CC#N,0,GDB ChEMBL
156523,COC1C([NH3+])CC2C3CC=CC(C3)C21,0,GDB ChEMBL
337370,CN(C=O)C(=NCc1cncc(Br)c1)C(N)=O,0,GDB ChEMBL
34726,C[NH2+]CC1NC2CNC(=O)NC2C1O,0,GDB ChEMBL
271512,NC(=[NH2+])CNC(C(N)=O)C(=O)NC(N)=O,0,GDB ChEMBL
6843,CCC(O)CC1CC(C)(C(C)[NH3+])CC1O,0,GDB ChEMBL
125680,NC1C[NH2+]CCC[NH2+]C1,0,GDB ChEMBL
342362,CCCCC1OC12CC=C1CC[NH2+]CC1C2,0,GDB ChEMBL
198784,NC(=[NH2+])c1c(NC(N)=O)cc(N)cc(=O)c1N,0,GDB ChEMBL
358925,CCC1OC12CCC(=O)N(CC[NH3+])C2,0,GDB ChEMBL
41048,CCCC1OC2(C)CC(O)C[NH+](C)C12,0,GDB ChEMBL
29232,CC1OC(=O)N(C)C(C)(C)C(C)C12CC2,0,GDB ChEMBL
80514,CC1CC2CCCC(C)(C)C1C(C#N)CC2,0,GDB ChEMBL
174298,COC1(C(N)=O)COC1C(=O)[O-],0,GDB ChEMBL
173946,CC=CCC(=CC)COCCCC,0,GDB ChEMBL
288578,COC(=O)NCCn1nncc1CC[NH3+],0,GDB ChEMBL
276279,CC[NH2+]CCC(=O)C(C)C#N,0,GDB ChEMBL
316169,CCC1(C(N)=O)CC1(O)C(=O)[O-],1,GDB ChEMBL
306320,CS(=O)(=O)[N-]C(=O)C(C#N)C(N)CC(N)=O,0,GDB ChEMBL
85872,CN1CC([NH3+])C(O)C2(C1)OC2C#N,0,GDB ChEMBL
288421,O=C1CCC2(O)CC(O)C1C2,1,GDB ChEMBL
317994,CCC1CC=C(CC(F)(F)F)C=CCC1,0,GDB ChEMBL
173853,CC1OC2(C[NH+](C)CC2CO)C1N,0,GDB ChEMBL
288166,COC(C)C1(C)CC(=O)C=CN(C)C1,0,GDB ChEMBL
162899,CN1CC(=O)C2(C(N)=[NH2+])CCCC(C1)C2,0,GDB ChEMBL
315259,C[NH2+]C1CC2NC1(C)CNC2=O,0,GDB ChEMBL
76389,C#CC1CC2(C(CCO)[NH2+]C)CC[NH+]1CC2,0,GDB ChEMBL
92855,CCC1CC(C)CC2(CCN2C=O)CO1,0,GDB ChEMBL
143495,CS(=O)(=O)c1c(O)nc(Cl)c(C(=O)[O-])c1N,0,GDB ChEMBL
103516,CC1=CCC2CC(C[NH2+]2)C1CO,0,GDB ChEMBL
388259,CC1CC=CC2CC(=O)CC12,1,GDB ChEMBL
203573,CC1CC2CCCC=CC1C1CC21,0,GDB ChEMBL
107013,OCC[NH2+]C1CNC2CC2C1O,0,GDB ChEMBL
378118,Fc1cnc2c(c1)NCC1C=CCOC1=N2,0,GDB ChEMBL
99434,O=C1CC2[NH2+]CC(O)CC(C(=O)[O-])=C2N1,0,GDB ChEMBL
118464,C[NH+](C)C(C(=O)[O-])C(C)(N)C(O)CO,0,GDB ChEMBL
283291,C#CC1CNC(C#N)C1CC,0,GDB ChEMBL
163897,CC[NH+]1C(C(CO)OC)C=CC2(CC)CC12,0,GDB ChEMBL
254991,CCC1=C(C)c2cc(F)ccc2CC1,1,GDB ChEMBL
347000,CCNC(=O)c1cc(Cl)c2cccn2n1,1,GDB ChEMBL
107065,NC(=[NH2+])C(N)C1C(O)CCC1C(=O)[O-],0,GDB ChEMBL
284693,CC1C(=O)CCN1c1cc(O)c(C=O)nc1O,1,GDB ChEMBL
385936,CCC(C)(C)C1CC([NH2+]CCN)C1CO,0,GDB ChEMBL
277727,CC1(O)CC(C#N)CC1([NH3+])C(N)=O,0,GDB ChEMBL
361771,CCC([NH3+])C1C2CCC([NH2+]C)C1(O)CO2,0,GDB ChEMBL
115951,CCC1CNS(=O)(=O)C2C(N)C1(O)C2[NH2+]C,0,GDB ChEMBL
23441,OCCc1cnc2[nH]ccc2c1O,1,GDB ChEMBL
6022,CCC1C2CC(C)CC1C1C2CC(C)C1OC,0,GDB ChEMBL
81445,CC1COC2CC(O)CC2[NH2+]1,0,GDB ChEMBL
380582,CC1OCC2CC([NH3+])C(O)C21,0,GDB ChEMBL
105994,CS(=O)(=O)N1CC2CCC1C1CC2CCO1,0,GDB ChEMBL
210746,CC12CCCCC1c1c(F)cnc(N)c1OC2,0,GDB ChEMBL
355172,C#CCC1CC(C)(C([NH3+])CC)CCCCC1C,0,GDB ChEMBL
177140,C#CC1(CCC)NC2C(=O)CN(C)C1C2O,0,GDB ChEMBL
152540,CCC(C)C(C)C1(C[NH3+])C[NH2+]C1C(C)O,0,GDB ChEMBL
370240,COC1CCC2(C)C1C(C(C)C)C(C)(C)C2[NH3+],0,GDB ChEMBL
299192,CCC1OCC(CS(N)(=O)=O)C1O,0,GDB ChEMBL
133158,CCOC1C(CO)C1C(O)(C[NH3+])CC(N)=O,0,GDB ChEMBL
312544,NC(=O)OC1CC2OCC(C1O)C2C(=O)[O-],0,GDB ChEMBL
116031,COCC1C2CC(CO)C(C)N12,0,GDB ChEMBL
99581,COCC(CO)NS(=O)(=O)CC(=O)[O-],1,GDB ChEMBL
325228,CCC1CCCC2C(C)=CCC12C,0,GDB ChEMBL
316454,CCCCC(C)C1CC(CC(C)C)C1(C)C,1,GDB ChEMBL
28151,C[NH2+]C1CC(C)NC(=O)C12CO2,0,GDB ChEMBL
101034,COC(Cc1c(C#N)sc([O-])nc1=O)C(N)=O,0,GDB ChEMBL
81722,CCCc1ccc2cc(CC[NH2+]C)cc(Cl)n12,0,GDB ChEMBL
198635,CCCc1ccc(Br)c(OCC(C)O)n1,1,GDB ChEMBL
284387,COC1(C)C2COC(=O)C21CC(N)=O,0,GDB ChEMBL
222052,NS(=O)(=O)OC1CNCC([NH2+]CCCO)C1,0,GDB ChEMBL
118343,CCCC1(CC)C([NH3+])C1C#N,0,GDB ChEMBL
252711,CC12Cc3nc(C[NH3+])ccc3C1CCNC2=O,0,GDB ChEMBL
71976,CC(C)CC(O)C(C)CO,1,GDB ChEMBL
70054,CCCC(O)C1C(CC)[NH+](CCC)C1CC,0,GDB ChEMBL
284876,CCCC1CC2(C)CC1C(C)(C(C)C)C2,0,GDB ChEMBL
240035,CC1C2CC(N3CC=CC3)C1[NH+](C)C2,0,GDB ChEMBL
92324,CCOC(=N)C(O)Cn1cc(C(=O)[O-])cc1O,0,GDB ChEMBL
325224,Cc1sc(C(C)(C)C)c2c1CCC(C)C2,1,GDB ChEMBL
104978,NC(=[NH2+])C12CC(O)C(NC1=O)C(=O)OCCO2,0,GDB ChEMBL
27791,CCCC1(C)C2C(C)COC1(CC)CC2C,0,GDB ChEMBL
44975,CC1C#CC(C)C=CCCCCC=C1,0,GDB ChEMBL
173981,CCN1C(CO)C2OC(C[NH3+])C1C(CO)O2,0,GDB ChEMBL
395630,COCC1(N(C)C(=O)C(N)=O)CC1,1,GDB ChEMBL
323190,CCC=C1C(=CC(=O)[O-])CCC1C,1,GDB ChEMBL
389458,CC#CC(CC)OC(CCO)C(C)(C)OC,0,GDB ChEMBL
214752,N#CCN(CCO)Cc1oncc1N,1,GDB ChEMBL
72378,[NH3+]C(CC(=O)[O-])c1cnc[nH]1,1,GDB ChEMBL
375481,CCC([NH3+])C(N(C)C)C(C)(CC)[NH2+]C1CC1,0,GDB ChEMBL
70201,CC1CCNC23C(C)[NH2+]CCOC2C(=O)NC13,0,GDB ChEMBL
228465,CC(C)C1CCCCCc2ccc(Br)c(c2)C1,1,GDB ChEMBL
117339,[NH3+]C1COCC2OC(=O)NC1(C(=O)[O-])C2CO,0,GDB ChEMBL
384789,C[NH+]1CC(C)(C)CC12CCC(O)CC2,0,GDB ChEMBL
309638,CC([NH2+]CCO)C(N)C(O)C(O)C(=O)[O-],0,GDB ChEMBL
50970,C[NH2+]C1CC2(C)CC1(C)C(C(C[NH3+])N(C)C)O2,0,GDB ChEMBL
9950,CCC1OC(CO)=NCC1C(C)[NH+]=C(N)NC,0,GDB ChEMBL
167297,CC1=CC2OCC1(O)C2[NH2+]CCO,0,GDB ChEMBL
195280,NC(=O)C1CC2CC[NH+]1C2c1[nH]cc(N)c1O,0,GDB ChEMBL
121956,CCCN(C)C(=[NH2+])OC(C[NH3+])CC(O)C[NH3+],0,GDB ChEMBL
47251,NC(=O)C1NC2C3OCC2C1O3,0,GDB ChEMBL
211099,COC1CC2COC(C(C)C(N)=O)C1(C[NH3+])C2,0,GDB ChEMBL
247223,COC12CC(O)(CC1O)C1C2C1(C)C,0,GDB ChEMBL
357612,CNc1c(CN(C)CC#N)c[nH]c1O,1,GDB ChEMBL
6810,CCC1(COC(C)C(C)CC(=O)[O-])C[NH2+]C1,0,GDB ChEMBL
50877,NC(=[NH2+])OCCNC(C=O)CS(=O)(=O)[O-],0,GDB ChEMBL
91163,[NH3+]CC1C[NH2+]CC(C2CCC2)C1,0,GDB ChEMBL
338496,CCC1CCC2(C)CC1CC2C(C)=O,0,GDB ChEMBL
274837,CN1CC2(C)NC(C#N)(C(N)=O)C2CS1(=O)=O,0,GDB ChEMBL
9787,C[NH2+]C1CC(C)C2C=CC1NC2,0,GDB ChEMBL
87671,CN(C)CC(CC1CC=CCC[NH+]1C)=NO,0,GDB ChEMBL
148828,CCC1[NH2+]C2(C)CC(O)C1C2,0,GDB ChEMBL
355031,N#CC1C2C3CC(CS(=O)(=O)N12)NC3=O,0,GDB ChEMBL
122974,COC(=O)c1ccc(C)s1,1,GDB ChEMBL
31291,CCC1CCNC(=[NH2+])NC1CC1(O)CC1,0,GDB ChEMBL
353553,[NH3+]CC1NC(=O)C(O)(Cn2ccnn2)CC1O,0,GDB ChEMBL
51391,CC(=O)C1=CC(O)CC12CC2,1,GDB ChEMBL
273389,CCCC1C(C)C(C)([NH+](C)CC)CN1C(N)=O,0,GDB ChEMBL
1470,NC(=[NH2+])c1nc(C(N)=O)c(=O)[nH]c1CO,0,GDB ChEMBL
362016,CC1CC2CC1C(N)C(CO)[NH+]2C,0,GDB ChEMBL
230416,C#CC(Cc1cc(CCC)cc(F)n1)[NH+](C)C,0,GDB ChEMBL
159863,CC12OC1C(=N)NC(C#N)CC2C(N)=O,0,GDB ChEMBL
259586,CCC(C)C(C[NH2+]C)C1CC1,0,GDB ChEMBL
236531,C1CC2CCC1C[NH+]1CC21,0,GDB ChEMBL
349474,C[NH2+]CC1(O)C(O)C2C([NH3+])CC1C2(C)O,0,GDB ChEMBL
304392,COCc1ccc(C(C)O)cccoc1,0,GDB ChEMBL
6149,C=CCCC1(CC)CC2CCC1C2,1,GDB ChEMBL
228803,CC(OCC1CN(CC#N)C1)C(O)CO,1,GDB ChEMBL
146922,CCC1C2Cc3cccc(Cl)c3C12CC,0,GDB ChEMBL
191668,CC(C)C1(C)C2CCC1C1C=CC2C1,0,GDB ChEMBL
60681,CC1CCCCC2CC1CC2(C)C,0,GDB ChEMBL
304064,CCCC1C2CC([NH3+])C(C)C1(C)C(O)C2,0,GDB ChEMBL
150520,C#CC1C(=NC)OC(=O)N1C(C)C(C)C,1,GDB ChEMBL
324017,CC[NH2+]CC1(OCC)CCCC1,0,GDB ChEMBL
300725,CCCNC(=O)C1C2C(O)C(C#N)S(=O)(=O)N12,0,GDB ChEMBL
60680,CNC(C#N)(CO)CC(N)C(=O)NC=N,0,GDB ChEMBL
194511,CC1=CCC2C([NH3+])C1C1(CCN2C)CO1,0,GDB ChEMBL
69626,CCC(=O)OCC(O)(CO)C(C[NH3+])OC(N)=O,0,GDB ChEMBL
341343,COc1c(N)nn(CC(C)(O)CO)c1C=O,1,GDB ChEMBL
358516,O=C1OC(CO)C=C1C1(C2CC2)CC=CC1,0,GDB ChEMBL
358868,NC(=O)CCNC(=[NH2+])C(N)C(N)=O,0,GDB ChEMBL
151753,COC(C)(C)CC=O,1,GDB ChEMBL
73301,COCC1CCC1C[NH3+],1,GDB ChEMBL
210180,COC1CN2CC3CC(C2)C1[NH2+]3,0,GDB ChEMBL
103910,C#CCNC(=O)CN=C(N)C1CO1,0,GDB ChEMBL
156104,CCNC(=O)CNC(=[NH2+])CC#N,1,GDB ChEMBL
67639,CCC1[NH2+]CCC([NH3+])C2CC1O2,0,GDB ChEMBL
338131,CC(C)C(C)c1cc(N)cnc1Br,0,GDB ChEMBL
247336,CNC(=O)C(C(C)=O)=C(N)C(C)O,0,GDB ChEMBL
46034,[NH3+]CCOCC1CC1C[NH3+],0,GDB ChEMBL
375702,C[NH2+]C(C)C(CO)[NH+]=C(N)CC(O)C(C)O,0,GDB ChEMBL
299765,CC1C(=O)N2CCC2C1O,1,GDB ChEMBL
76082,C#CCC(CC#C)CCC1(C)CCCC(C)C1,0,GDB ChEMBL
17348,NS(=O)(=O)CC(=CNCC=O)C(=O)[O-],0,GDB ChEMBL
72431,CS(=O)(=O)CC(O)c1nc(N)cc(=O)[nH]1,0,GDB ChEMBL
393939,CCCC(C)Cc1cc(C=O)cc(C)c1OC,0,GDB ChEMBL
60950,CC1OC(C[NH2+]CC(=O)[O-])OC(=N)C1[NH3+],0,GDB ChEMBL
218833,CCC1(C)C2CCCC(C)CC1CCC(C)C2,0,GDB ChEMBL
288973,CC1CC(C)(CCCCC(=O)CO)CC[NH2+]1,0,GDB ChEMBL
119387,COCC[NH2+]CCn1c(C)cc(N)c1C(=O)[O-],0,GDB ChEMBL
304044,N#CCC1C2COC1C1C(O)C(O)CN1C2=O,0,GDB ChEMBL
372529,CC([NH3+])C1(C)OC(=O)CC2C[NH2+]C1C2O,0,GDB ChEMBL
208562,OC1CC2CC3CC[NH2+]C2C1C3,0,GDB ChEMBL
322001,C#Cc1cc2c(C)c[nH]c2c2cnccc12,1,GDB ChEMBL
262199,CCc1cc(I)c(C(C)CO)c2c1CCC2O,1,GDB ChEMBL
386214,CC1=CC2(C=CC1)COCCN2C,0,GDB ChEMBL
369909,CC1=CC2CCCCOC(C2)CC2CC2C1,0,GDB ChEMBL
216530,CC(=N)N(C=N)C(C#N)CC1OCCCC1=O,1,GDB ChEMBL
214041,CCCCCC1C=CCC1CCCC,1,GDB ChEMBL
307616,COCCC(CC[NH3+])C1(C)COC1,0,GDB ChEMBL
219566,CC(CO)CC1(C)CCCC2CC(C2)[NH+]1C,0,GDB ChEMBL
79356,CCCCC1CC#CCC2CC(C1)C2,0,GDB ChEMBL
288465,CC1N(CC(O)C(=O)[O-])CCS1(=O)=O,0,GDB ChEMBL
122943,CC1([NH3+])C(C(N)=O)C1(O)C(C#N)C(=O)[O-],0,GDB ChEMBL
139778,CNC(=O)C1C2C=CC(C)([NH3+])C(C2)C1O,0,GDB ChEMBL
64091,C#CC12CN(C1)C(C(O)CO)C2C(N)=O,0,GDB ChEMBL
363006,Cn1c(C#N)c(Br)c(C(C)(C)C#N)nc1=O,1,GDB ChEMBL
313302,CCC1OC(OCCC#N)C([NH3+])C(O)CC1O,0,GDB ChEMBL
310152,CCCCC1(CC)CC1C,1,GDB ChEMBL
251866,CC1=NC(C(=O)[O-])CC(=[NH2+])N1,0,GDB ChEMBL
114783,CCC1CCC(C2[NH2+]C3CCC(=O)OC2C3)C1,0,GDB ChEMBL
358185,CC(O)C[NH2+]C(C=O)Cc1c[nH]nc1[N+](=O)[O-],0,GDB ChEMBL
9747,CCC1C([NH3+])CC2C=C(C)C1C2CO,0,GDB ChEMBL
341863,CC1OCCC2CC1CC2C[NH3+],0,GDB ChEMBL
45980,COC1CNC(=O)N2C(CS(N)(=O)=O)C12C,0,GDB ChEMBL
71660,C[NH2+]CC#Cc1cc(OC)nc(=N)nn1,0,GDB ChEMBL
221379,CCN1CC2CC2CC1C#N,1,GDB ChEMBL
43925,C#CCCC[NH+](CC1(N)CC1)C(C)C,0,GDB ChEMBL
11415,CC(C[NH+]=C(N)N)c1ncccc1C=O,0,GDB ChEMBL
280858,CC1=CCC2C[NH2+]CCC2=CC1,0,GDB ChEMBL
177851,COC1C2C=C(C=CCCCC[NH2+]2)C1(C)C,0,GDB ChEMBL
312504,C#Cc1ccc(CC(=O)C(C#C)C#C)nc1,0,GDB ChEMBL
381457,CCCC[NH2+]C1(C)CC12CCCC2,0,GDB ChEMBL
101481,COC(C[NH3+])CCn1cnnn1,0,GDB ChEMBL
44634,CCC1(CCO)OC(=O)CC(C)C([NH3+])C1N,0,GDB ChEMBL
245529,O=C1NC2C3CCCC4CCC(CN1C32)O4,0,GDB ChEMBL
132223,N#CC1C2CC(CO)[NH2+]CCC12C=O,0,GDB ChEMBL
203636,CC(C)Oc1ccccc1O,1,GDB ChEMBL
320789,C[NH2+]C1(C)CCC(CC(F)(F)F)C(C)C1,0,GDB ChEMBL
29757,O=C1OC(C(=O)[O-])C(O)C(O)C2NC12,0,GDB ChEMBL
177331,CCC1C(C(C)COC)CC2CC21,0,GDB ChEMBL
119220,CC(=O)Cc1noc(CO)n1,1,GDB ChEMBL
288495,C#CC1CC2[NH2+]CCC1C2CC(CC)C[NH3+],0,GDB ChEMBL
227727,CC1CC2C(=O)NC(C)C2(C)[NH+]1C,0,GDB ChEMBL
66614,CC1C(=NO)CN(C)C1C(CO)OC(N)=O,0,GDB ChEMBL
317138,CCc1cc2c(c(Cl)c1C)C1CC1C2,1,GDB ChEMBL
45920,C#CCN(c1c(F)ccnc1F)C1CC1,1,GDB ChEMBL
251452,CCC1CC[NH+]2CC2C(C)C1,0,GDB ChEMBL
31798,CCOC(C(N)=O)C1(S(N)(=O)=O)C(C)C1C,0,GDB ChEMBL
72364,C#CCCC1CCCC(C)C1C1CC1,1,GDB ChEMBL
108126,O=C([O-])c1ccnc2csnc12,0,GDB ChEMBL
365767,CCOCC1(O)CC([NH3+])(C(C)(C)C(N)=O)C1,0,GDB ChEMBL
300163,CCCC(=N[O-])c1n[nH]c(C(=O)[O-])c1CC,0,GDB ChEMBL
230261,C[NH+](C)C(C)(C)C=C1CC2CC2C1,0,GDB ChEMBL
151047,COCC1C([NH3+])CNC(=O)C1S(N)(=O)=O,0,GDB ChEMBL
25231,NS(=O)(=O)OCC1CC(O)C2OCC1C2[NH3+],0,GDB ChEMBL
200726,CN1C(=N)OC(C[NH3+])C(C)(C)CCNC1=O,0,GDB ChEMBL
335505,O=C([O-])C1[NH2+]CC2CCC1(O)C2,0,GDB ChEMBL
320442,N#CCCOC(=O)[N-]C(=N)C(=O)C(N)=O,0,GDB ChEMBL
321935,N=C(NC(N)=[NH2+])NC(=O)C1(C[NH3+])C=CCO1,0,GDB ChEMBL
383987,CC1(C(O)CC(CO)C(=O)[O-])CC1[NH3+],0,GDB ChEMBL
127872,CCOC1CC1C([NH3+])C(C)CC,0,GDB ChEMBL
75004,CCC1(C)CCC2C=C(C)CC(C(C)C)C21,0,GDB ChEMBL
292924,CCCC(=NO)C([NH2+]CC)C1(O)CC1,0,GDB ChEMBL
251864,CCC1(C)C(O)CNC(C[NH3+])C(N(C)C)C1O,0,GDB ChEMBL
142564,C#CC(C)(O)CC12CC1[NH+](CC)CC2O,0,GDB ChEMBL
228360,C#CC[NH2+]CCCCOc1ccccc1C#C,0,GDB ChEMBL
330751,CC1=CC(C)(C(N)=O)CC1CO,0,GDB ChEMBL
177282,CCCCC(C)(COC)C(C#N)OC,1,GDB ChEMBL
165238,C#Cc1ccc(O)cc1OC(C)(C)CC(C)C,1,GDB ChEMBL
283430,C[NH2+]C(C)(CCC(C)O)CNc1nnn(C)n1,0,GDB ChEMBL
39772,CC1=CC(C)CCC(C)CN(C)CC1=O,0,GDB ChEMBL
376707,CCCCC12CC([NH3+])C(CCC1C)C2,0,GDB ChEMBL
669,C#CC[NH+](CCC#CCC(C)C)C(C)C,0,GDB ChEMBL
369307,CCC(=[NH2+])NC(C)CCO,0,GDB ChEMBL
115428,CCCCCCCC(C)CC1CC(=O)C1,1,GDB ChEMBL
70289,CC(O)C1(C(=O)CNC(N)=[NH2+])C=CC(=O)O1,0,GDB ChEMBL
291537,CC1OC(=O)C(O)(C(CO)C[NH+]=CN)CC1[NH3+],0,GDB ChEMBL
330907,C[NH2+]C(C)C(C[NH3+])C(CCO)S(N)(=O)=O,0,GDB ChEMBL
323140,CC[NH2+]CC1(CCO)CC(=O)NCC(C)(C)O1,0,GDB ChEMBL
79344,C#CC#CC(C)(CNC(N)=[NH2+])C(=O)OC,0,GDB ChEMBL
148193,CC1(O)CCC([NH3+])C1CC1(C(N)=[NH2+])C[NH2+]C1,0,GDB ChEMBL
27953,CCN(C=N)c1c(F)cc(C=O)cc1F,1,GDB ChEMBL
159866,CC(O)C1C(=O)CC(C)(C)C1(C)C(N)=O,1,GDB ChEMBL
215454,C#Cc1nc[nH]c(=O)c1C[NH3+],0,GDB ChEMBL
290520,C#CC1C2CC[NH+](CC)C(C)C12C,0,GDB ChEMBL
24276,CC1C2CCCCC1(C)CC([NH3+])C2,0,GDB ChEMBL
239337,CCCn1nnnc1CNC1(C)C[NH2+]C1,0,GDB ChEMBL
204542,CCC1C=CC(C)C(C(C)(C)CC(C)C)C1,0,GDB ChEMBL
190356,[NH3+]C1(CCCOCC2CC2)CC1,0,GDB ChEMBL
150513,CC(=O)OC1C(C)C([NH3+])C1OS(N)(=O)=O,0,GDB ChEMBL
331153,NC(=O)N1C=C(CO)C(O)C[NH2+]CC1,0,GDB ChEMBL
391304,CCOC1C(CC[NH3+])N2CC12,0,GDB ChEMBL
138380,CCCCCCC1=CC=CC(C)C=C1,0,GDB ChEMBL
240008,CC1([NH3+])CC(CO)CC(N)=[NH+]C2C(=O)OC21,0,GDB ChEMBL
148871,CC1CCOC(C)CC([NH3+])C(O)COC1,0,GDB ChEMBL
141742,NC(N)=[NH+]CC(N)C1OC1CO,0,GDB ChEMBL
336581,C#CC1OC(C)C(C)(CC)C1CC(C)C,0,GDB ChEMBL
148223,C#CC1CCOC(=O)C(CC)(CC)C(C)(C)C1,0,GDB ChEMBL
310816,CC(O)C(C)C(C)C(C)(C)C1CC([NH3+])C(O)C1,0,GDB ChEMBL
362682,CC(C)CC1COC2C1C[NH2+]C2C1CCC1,0,GDB ChEMBL
105095,CC[NH2+]C12C=CCC1C(C)CCCC2,0,GDB ChEMBL
55499,N#CCC1CC2C(O)CNC(=O)C(CC2O)O1,0,GDB ChEMBL
33882,CCC1C[NH+](C)CC2NC2C1C,0,GDB ChEMBL
11029,C#CCCCCCC1(C)COC2C[NH2+]C(C2)C1,0,GDB ChEMBL
95478,COCCC1C2CS(=O)(=O)NC2C1(C)O,0,GDB ChEMBL
333916,CCC1CNc2cc(Br)c(C(=O)[O-])cc21,0,GDB ChEMBL
222540,CC1c2c(O)ncc(Cl)c2CCCS1(=O)=O,0,GDB ChEMBL
112820,CC(=O)NCC1=CC(CO)CC12CC[NH2+]2,0,GDB ChEMBL
395621,CC(C)C1=CCc2c(Cl)cccc2C1,1,GDB ChEMBL
218540,CCC1C2CCC3CC12C[NH+]3CC,0,GDB ChEMBL
95619,CNC(=O)Nc1cnc2c(c1)[NH+]=C(N)CC2O,0,GDB ChEMBL
281664,OC(Cc1cccs1)c1ccsc1,1,GDB ChEMBL
94846,C#Cc1c(OC)cn(CCC#N)c(=O)c1I,1,GDB ChEMBL
319189,C[NH2+]C1CC(CO)=C(C)CC(C)C1O,0,GDB ChEMBL
1047,CC1(C)COC(=O)CNCC(O)C1[NH3+],0,GDB ChEMBL
98842,C#CCc1cc(CC)cc(C(C)C)c1Cl,1,GDB ChEMBL
179453,CC1OC2=NCCC(CO)COC1C(=O)NC2,0,GDB ChEMBL
61304,CCC1CCN(C)c2c1ccc1ccoc21,1,GDB ChEMBL
203480,C[NH2+]CCC1=CC(C#N)CCCC1,0,GDB ChEMBL
235549,NC(=O)C1C(=O)C(O)C2CCNS(=O)(=O)C12,0,GDB ChEMBL
239342,NC1=NC(CC(=O)[O-])C(O)(C[NH3+])C(=O)N1,0,GDB ChEMBL
276042,OCCc1cc(I)c(O)c(C2CC2)c1,1,GDB ChEMBL
284851,C#CC(C=O)C(CCC(=O)NC)[NH+](C)C,0,GDB ChEMBL
368160,CCC1(C(N)C#N)NC(=O)OC1CS(=O)(=O)[O-],0,GDB ChEMBL
190533,[NH3+]C1CCC2C3OC(CNC3=O)OC2C1O,0,GDB ChEMBL
247164,NC(=O)C1(NC2C(=O)NCC2[NH3+])CCCC1O,0,GDB ChEMBL
118165,Cc1cc(N)c(C(N)=O)c([O-])c1S(C)(=O)=O,0,GDB ChEMBL
248640,COC(C)CC1CC=CC(CC(C)C)=CC1,0,GDB ChEMBL
354722,CNC(=O)CC1CC(C)(NCC[NH3+])C1O,0,GDB ChEMBL
288569,CC1(C)NC(=O)C2CC1C2(CO)C(N)=[NH2+],0,GDB ChEMBL
368521,[NH3+]C(C(=O)[O-])C1=CS(=O)(=O)NCC1,0,GDB ChEMBL
391318,CNc1n[nH]c(C)c1C,1,GDB ChEMBL
376994,CCC1COCC[NH2+]C1C(C=O)NC1CC1,0,GDB ChEMBL
191356,CCC(C)C1CC(OC)C2CC2C[NH2+]1,0,GDB ChEMBL
106591,C[NH+]1CCC2NC(=N)C(O)C21C(=O)[O-],0,GDB ChEMBL
70906,CC1NC2(CO)C([NH3+])C2NC1=O,0,GDB ChEMBL
250624,CCOC1C[NH2+]CC1(CNC=O)OC(=O)NC,0,GDB ChEMBL
37324,CC(C)S(=O)(=O)c1cc(C(=O)[O-])ccn1,0,GDB ChEMBL
48750,CC(CC(N)=[NH2+])c1cnc(C(O)CO)c(N)n1,0,GDB ChEMBL
3935,NC1=[NH+]C(C(O)CC2NC(CO)CC2=O)CC1,0,GDB ChEMBL
176497,Nc1ncc(=O)[nH]cc(C=O)c([O-])c(C=O)n1,0,GDB ChEMBL
345839,CC1OC1CCOCCC([NH3+])CC#N,0,GDB ChEMBL
332409,C#CC1C(C)[NH2+]C2CCCC(NC(C)=O)C21,0,GDB ChEMBL
359169,O=C1CC(CCO)N=C(C2CC2)N1,0,GDB ChEMBL
209842,CC1CCC(CC2C[NH2+]C2)CC1,0,GDB ChEMBL
297007,NC(=O)NCCCOc1cc(C[NH3+])sn1,0,GDB ChEMBL
286281,CC1CC(C)C(O)C(C(C)[NH3+])C1,0,GDB ChEMBL
42256,CC1C2(CC(=O)[O-])[NH2+]CCC2NS1(=O)=O,0,GDB ChEMBL
98831,CC([NH2+]CCN(CC(N)=O)C(C)C)C(=O)[O-],1,GDB ChEMBL
25127,CCc1cccc(I)c1C1CC(=O)N1,1,GDB ChEMBL
374932,Cc1cc(N)c(O)c(OC2CC2)[nH+]1,0,GDB ChEMBL
253573,CCN(C)C(=O)c1oc(N)nc1O,1,GDB ChEMBL
346562,CC(C)Nc1cncc(Cl)c1Cl,1,GDB ChEMBL
24256,Cc1ccccc1CCC(C)(O)C(C)(C)O,1,GDB ChEMBL
225875,CCC1(CO)NC1(C)C(C)N(C)CC#N,0,GDB ChEMBL
271568,CCCCCCCC1C(CC)C1(C)C,1,GDB ChEMBL
338844,CC(O)C1C(=O)OC2C1CC(C)(C)C2O,0,GDB ChEMBL
105111,CNC1=NC(C[NH3+])C(C(F)(F)F)OCCCO1,0,GDB ChEMBL
323296,CC1C([NH3+])C1C(NC=O)C(=O)[O-],0,GDB ChEMBL
254860,CC1CCC2C(C3=NCCN3)[NH+]1CCN2C,0,GDB ChEMBL
300175,CCC1([NH3+])C=C(c2ccccn2)CNC1,0,GDB ChEMBL
282007,CCC1NC(=O)NC1C[NH3+],0,GDB ChEMBL
348624,CC(C1=CC(CC[NH3+])OC1=O)S(N)(=O)=O,0,GDB ChEMBL
277132,[NH3+]C1COCC2CC(O)C(O)CC12C(=O)[O-],0,GDB ChEMBL
276332,CC1(CO)C2CCCS(=O)(=O)N21,0,GDB ChEMBL
362622,O=C1OC(C(F)(F)F)C2CC1C2,1,GDB ChEMBL
71653,CCC12CC3(CC1CN3)C(=O)O2,0,GDB ChEMBL
385611,C#Cc1ccc(C)c(CCC2CCC2)c1Cl,1,GDB ChEMBL
99108,N#Cc1coc(NC(=O)OC2CCC2)n1,1,GDB ChEMBL
38713,CC#Cc1cc(N)c(C)oc1=O,1,GDB ChEMBL
31746,CN1C(CC(N)=O)CS1(=O)=O,0,GDB ChEMBL
135831,C#CCC1C(C)CC([NH3+])C1C,0,GDB ChEMBL
376646,O=C1OCC2C(C(=O)[O-])C1CS2(=O)=O,0,GDB ChEMBL
351144,CCCCN(C=[NH2+])c1cnc(F)cc1N,0,GDB ChEMBL
112755,CCN(C(=N)N)C(=O)NC(=N)NC,1,GDB ChEMBL
62524,CCC1C2C[NH2+]CC1C(N)C([NH3+])C2,0,GDB ChEMBL
36060,COC1CC([NH3+])C(O)C2[NH2+]C(C)C12,0,GDB ChEMBL
223522,Cc1onc(N)c1C(C)(C)C,1,GDB ChEMBL
17583,CCC(C)C1C=CC[NH+]1CC1(C)CO1,0,GDB ChEMBL
259114,CCC1CCC=CCCC2CC2C([NH3+])C1O,0,GDB ChEMBL
277655,CC12CCCC=CC=CCCC(CCC1)C2,0,GDB ChEMBL
146057,CCC(N)=[NH+]CC(O)CO,0,GDB ChEMBL
311654,CCC(c1cc(I)cc(I)c1)C1CCC1,1,GDB ChEMBL
372572,CC([NH3+])CC(=O)NCc1nn[nH]c(=O)n1,0,GDB ChEMBL
346859,C[NH2+]C1CCCC2OC12C,0,GDB ChEMBL
4943,COC1C(C)NC(=O)CC(S(N)(=O)=O)C12CO2,0,GDB ChEMBL
363172,CC1C=CCC2CC(=O)CC1C2O,0,GDB ChEMBL
288904,C#CCOC1(C#C)CCC(C[NH+](C)C)C1(C)C,0,GDB ChEMBL
84892,CC(N=C(N)[C-](C#N)C(=O)[O-])C(N)=[NH2+],0,GDB ChEMBL
229474,C=CC(N)C1[NH2+]C2CCC1C2OC,0,GDB ChEMBL
372519,CCCC1C(CC)CC(CC)CC1CC(C)C,0,GDB ChEMBL
26991,CC1OCC#CCCC(C)(C)C1=O,1,GDB ChEMBL
299174,COCC(O)C(O)Cn1cnnn1,1,GDB ChEMBL
219564,CCC(Cc1cc(N)cc(OC)c1)NC=O,1,GDB ChEMBL
152613,CCN(C(=O)NC)S(=O)(=O)CC,1,GDB ChEMBL
75475,N#CC1C(CCO)C2CCC(=O)CC12,0,GDB ChEMBL
174696,Fc1ccccc1C1CCC2C3CC3CC12,0,GDB ChEMBL
358481,C#CC[NH2+]C(C1CCCC1)C(OC)C1CC1,0,GDB ChEMBL
345710,CCC(C)CC1CCC2CCC3(CC3)C1C2,0,GDB ChEMBL
133981,CC1=CCC2CC2CCc2ccc(C)c1c2,1,GDB ChEMBL
337844,COC(=O)C(CO)(CO)C(N)=O,1,GDB ChEMBL
4791,CCC(C(C)CCC1CCC1)[NH+]1CC=CC1,0,GDB ChEMBL
53066,NC(=[NH2+])NC1CC(CO)OCC(NC=O)C1O,0,GDB ChEMBL
107025,Cc1cccc(Cl)c1C1CCC2CC2CC1,1,GDB ChEMBL
140333,C#CC1(C(C[NH3+])CC(C)(O)CC)OCCCO1,0,GDB ChEMBL
81403,Cc1nccc2c1NC1(C)C(O)CC2CC1O,0,GDB ChEMBL
115919,CC[NH2+]C(CC=O)(CCN(C)C)C(CC)CC,0,GDB ChEMBL
305106,CC12C3OC(=O)CC3S(=O)(=O)N1C2C(N)=O,0,GDB ChEMBL
77268,CCCC1COC(C#N)OC1C(C)C,1,GDB ChEMBL
181109,CC(CO)[NH+]=C(N)C1CC1(C=NO)C(N)=O,0,GDB ChEMBL
49124,N=C(N)NC(=O)CCNC(N)=O,1,GDB ChEMBL
93120,CCCC(C)(CC)Cc1cc(F)ccc1C,1,GDB ChEMBL
304144,CC(C#N)CNC(=O)C1OCC2(CO)OC12,0,GDB ChEMBL
395631,CC[NH+]1CCC[NH2+]CC2(O)C(C)C12,0,GDB ChEMBL
234491,CCc1cc2c(c(F)c1F)C1(C)CCC2CC1,0,GDB ChEMBL
361795,CC[NH2+]C1CC1C1(C)COC(C)(C)C1O,0,GDB ChEMBL
21502,N#Cc1cnccc(C(N)=[NH2+])nc[nH]1,0,GDB ChEMBL
389446,CCC1C2OC(C[NH+]1C)C1CC(CC1O)C2C,0,GDB ChEMBL
11004,C#CC(C)CC1CCn2cc(OC)cc2CO1,0,GDB ChEMBL
44081,CC(=O)Nc1sccc1Nc1cc(C[NH3+])ns1,0,GDB ChEMBL
275571,Cc1cn2cc(CCO)c(Cl)nc2c1N(C)C,1,GDB ChEMBL
299706,C[NH+](C)CCC1COC2CC=CC12C,0,GDB ChEMBL
354132,CCOC1C=CC2C([NH2+]C)C12,0,GDB ChEMBL
53049,CCCC(CCC1=CCC(C)C1)C[NH2+]C,0,GDB ChEMBL
125562,Cc1ncoc1C1COC2CCN(C(N)=[NH2+])C21,0,GDB ChEMBL
372158,CC1CCC[NH2+]C1Cn1cncn1,1,GDB ChEMBL
3789,C=CCC(N)(C#N)COC(C)C[NH3+],0,GDB ChEMBL
362371,CCC1C=C(C)CC2CC(CC1)OC(=[NH2+])N2,0,GDB ChEMBL
79514,CCC(C)COCC[NH+](CC)CC(C)(C)O,0,GDB ChEMBL
6148,CC1C(CCO)OC(=O)CC1(C=O)CO,0,GDB ChEMBL
120372,CCC([NH3+])C(C)CC1(C)CCCC2CC21,0,GDB ChEMBL
76776,Cc1cc(Br)cc(C#CCC2CC2)c1Br,1,GDB ChEMBL
44351,CC=C(C)CNC(=O)c1ncco1,1,GDB ChEMBL
67803,CC1=CCC2C(C[NH3+])C2CC1,0,GDB ChEMBL
372759,CCCCC1N=CN2C(=N)Cc3cccc1c32,0,GDB ChEMBL
103928,CCC1([NH3+])C(C(=O)[O-])C(=O)NC1C1CC1C,0,GDB ChEMBL
292903,C#Cc1c(NC(=O)CO)cn[nH]c1=N,1,GDB ChEMBL
16497,Cc1cc2c(cn1)c(C)cc1c(F)cccc12,1,GDB ChEMBL
181694,CC(CC=O)c1cn(C)cn1,1,GDB ChEMBL
369312,CNC=[NH+]CC(=O)[N-]S(=O)(=O)CCO,0,GDB ChEMBL
77771,[NH3+]C1C2CCC12C[NH2+]CCO,0,GDB ChEMBL
394332,COC1CN(c2cccc(C)c2I)C1,1,GDB ChEMBL
184269,CCC(CC(C)(C)C)[NH2+]C12CCC(C1)C2,0,GDB ChEMBL
266195,CC(=O)OC1C([NH2+]C(C)C)C1(O)C=O,0,GDB ChEMBL
263542,CC(C)C[NH+]1CC2CC(C#N)(C1)C2C(N)=O,0,GDB ChEMBL
258748,CC1C([NH3+])CCC2OC(C(=O)[O-])C1O2,0,GDB ChEMBL
245827,NC(=O)c1cn(C2CC=CC2)nc1[O-],0,GDB ChEMBL
142909,COc1c(C2CO2)cnc(Cl)c1C(C)C,1,GDB ChEMBL
246768,CCC1CC#CCN(C(C)=O)CCC1,1,GDB ChEMBL
77809,C#CCN1CC(C2C(C)CC3CC[NH+]2C3)C1,0,GDB ChEMBL
111895,CCNc1cnc(C#N)cc1O,1,GDB ChEMBL
217120,CCC1CC(OC)C=CCC(O)CC(=N)O1,1,GDB ChEMBL
265493,CC1CCC[NH2+]CC2=NC3CCC(CC3)N21,0,GDB ChEMBL
202491,C[NH+](C)CCN1C(=O)CC(O)CC1C#N,0,GDB ChEMBL
182110,CC(=O)C1CC(CC#N)C1,1,GDB ChEMBL
274092,COCC1(C(O)C(=O)[O-])C(C)C1(C)C(N)=O,0,GDB ChEMBL
131691,C#CCC([NH3+])Cc1c(Cl)cc(Cl)c2c1NCC2,0,GDB ChEMBL
322879,O=Cc1ccc(I)c2cc[nH]c12,1,GDB ChEMBL
72012,C#CCC(CC#N)C([NH2+]C(C)C#C)C(C)(C)O,0,GDB ChEMBL
180822,CCC1([NH2+]C)CC1CC[NH2+]C1COC1,0,GDB ChEMBL
278116,C=CC(CC)C1CC(C)CCC1=C,1,GDB ChEMBL
132461,COCC1(C)CCC(O)(C(C)C(C)=O)C[NH2+]1,0,GDB ChEMBL
122865,CC1OC(=N)C(=O)C2OC1CN(CCO)C2=O,0,GDB ChEMBL
374013,NC(=O)N1C=C(CO)CCC1,1,GDB ChEMBL
196497,CCCC1C(C)C(C[NH2+]C)C(C)CC2CC21,0,GDB ChEMBL
146914,Cc1cc(CC(F)(F)F)ccc1CC(F)(F)F,1,GDB ChEMBL
37113,CC#CC(C=O)Cc1occc1C(C)O,0,GDB ChEMBL
38177,CC(C=O)C(=O)N1CC[NH2+]CC2=CCC1C2,0,GDB ChEMBL
249632,CCOC(N)=[NH+]CCO,0,GDB ChEMBL
126941,CC1=CCC2CCC1CC(C)C1CC1CO2,0,GDB ChEMBL
83119,C[NH2+]C1CC1NC(=O)C[NH3+],0,GDB ChEMBL
380305,CN1CC2N(C1=O)C2(CO)C([NH3+])C(=O)[O-],0,GDB ChEMBL
195447,COCC([NH3+])(CC1CC1)C(C)(C)C(C)C,0,GDB ChEMBL
310286,CCNc1c(C)c(Cl)c(C)c2c1CCN2,1,GDB ChEMBL
385969,CC(CCC[NH3+])C1C2CCN(C=O)C21,0,GDB ChEMBL
236007,CCCCC1CC1C=C(C)C[NH2+]C,0,GDB ChEMBL
318094,CC12CC[NH2+]CC1C(C=O)CC2,0,GDB ChEMBL
263970,CC1=CC2CC1C2c1ccc(F)c(CO)c1,0,GDB ChEMBL
41093,CCCNc1cc2n(c1O)CC2,0,GDB ChEMBL
120672,CCNc1ncnc(=N)[nH]c(C(C)C)cc[nH+]1,0,GDB ChEMBL
658,CC(CCC1OC(=N)C1N)C(=O)N(C)C,0,GDB ChEMBL
21677,CC(O)C(=O)NCC1(C)C([NH3+])C1O,0,GDB ChEMBL
350942,FC(F)(F)C1=CC=CCc2ccccc2C1,0,GDB ChEMBL
199073,CC(C(O)C#N)C(C(N)=O)C(N)C[NH3+],0,GDB ChEMBL
147249,CCC(C)c1cc(F)nc(C)c1C,1,GDB ChEMBL
34816,OC1CCCCCC2C=CCCC12,1,GDB ChEMBL
36034,CNC(=O)C1(C)OC(=N)NC1CO,0,GDB ChEMBL
184666,CC[NH2+]CC12CC=CCC(C1)OC(=O)N2,0,GDB ChEMBL
66693,CC1NC(=[NH2+])C2(CC1C(=O)[O-])CN2C(N)=[NH2+],0,GDB ChEMBL
309822,Cc1ccc(C2C[NH2+]C2)c(=O)[nH]1,0,GDB ChEMBL
43501,CCN1C(C[NH2+]C)C1(C#N)C(C)O,0,GDB ChEMBL
377305,CCC1(C#N)CC(c2ccnc(F)c2)C1,1,GDB ChEMBL
276152,CC#Cc1ccc2c(c1)CCCC2(C)C,1,GDB ChEMBL
388237,C[NH2+]CC1COC(=O)C(CO)CC(C)C(=O)N1,0,GDB ChEMBL
50311,COC1C(=O)NCCN2C(C)C([NH3+])C12,0,GDB ChEMBL
294808,N=C(NC(=O)CO)Nc1cnsn1,1,GDB ChEMBL
225205,CCCCC12C=CC(C)C1(CCO)C2,0,GDB ChEMBL
383718,CCCC(=NC)OC(C)C[NH2+]C(C)C(=O)[O-],0,GDB ChEMBL
146892,CCCC[NH2+]C1CC(C)C2C1N1CCN2CC1,0,GDB ChEMBL
383810,CC(CC1CC(C)(C[NH3+])CC1O)C1C[NH2+]1,0,GDB ChEMBL
49176,CN1C(=O)[N-]S(=O)(=O)CC12C(O)C2C[NH3+],0,GDB ChEMBL
147396,CC12CN(CCO)CC(OC1CO)C2[NH3+],0,GDB ChEMBL
94646,CCC1[NH2+]C(C)C2C(O)COC12,0,GDB ChEMBL
183478,CC1(CO)C2CCC1C1(CC1)C2C(F)(F)F,0,GDB ChEMBL
246372,CCCC1NC(C#N)C1O,1,GDB ChEMBL
358242,CC(=O)NC1C(=N)OCOC1=N,1,GDB ChEMBL
137395,CC(C)CCC1C=CCC1CO,1,GDB ChEMBL
190092,C#CC(CC)CCC(O)c1ccc(C)cc1C,1,GDB ChEMBL
386398,CCC1(CC)CC2CC1C[NH+](C)CCCC2C,0,GDB ChEMBL
382212,C#CCCNC(=O)Nc1cccc(I)n1,1,GDB ChEMBL
33291,N#Cc1sccc1CC(O)CCCCO,1,GDB ChEMBL
358271,COCc1nsnc1[N-]c1nn(C)cc1C[NH3+],0,GDB ChEMBL
81089,CC(CCO)C1CC2([NH3+])CC1C2C(=O)[O-],0,GDB ChEMBL
354874,CCCCC(C)CC1C(C)CC(C)C(C)C1C,0,GDB ChEMBL
118146,C[NH+]1C2CCCCC1C([NH3+])C2,0,GDB ChEMBL
115554,CCOC1(C)CC(C)=CCC1CC[NH3+],0,GDB ChEMBL
27942,CC(CC(=O)[O-])C([NH3+])CC(C[NH3+])CC[NH3+],0,GDB ChEMBL
295864,CCC1C2CCC(CCC(C)C2)C1C[NH2+]C,0,GDB ChEMBL
372144,CCn1cnc(C(=O)[O-])c1OC,0,GDB ChEMBL
68454,CC(=O)c1noc(=O)cc1NC(N)=O,0,GDB ChEMBL
277128,CC(O)C1C(S(=O)(=O)N(C)C)C1(C)C#N,0,GDB ChEMBL
103405,CCCC(C)C(=O)C1=CC(C)(C)[NH2+]C1,0,GDB ChEMBL
116148,CC#CCc1cncc(C#N)n1,0,GDB ChEMBL
163384,CC1CC2CC(C1)C1=C2CCC1,0,GDB ChEMBL
94680,CC=CS(=O)(=O)N(C)C(C#N)C(=O)[O-],1,GDB ChEMBL
247334,NC(=O)C(O)C1C[NH2+]CCC(=O)C1=NO,0,GDB ChEMBL
296341,O=C1NC2=NC(C(=O)[O-])CC2O1,0,GDB ChEMBL
211117,COC1(CO)C(O)C(=N)NC(C#N)C1C(N)=O,0,GDB ChEMBL
98609,[NH3+]C1C(O)C(O)C(OC=O)C1C(=O)[O-],1,GDB ChEMBL
63161,CC=CC(C)C1CC2C[NH2+]C2C1O,0,GDB ChEMBL
132554,CC1=CC(C[NH3+])C(C)CCC1CC(C)O,0,GDB ChEMBL
316263,c1c[nH+]c(NCC2CC(C3CCCC3)C2)[nH]1,1,GDB ChEMBL
266235,CC(C[NH3+])C1OCC(O)C([NH3+])C1O,0,GDB ChEMBL
19356,Nc1nccn1C(=O)CC([NH3+])C1CCNC1=O,0,GDB ChEMBL
166453,CC1=CC[NH+]2CC(C)(C)C=CC(O)C2CC1,0,GDB ChEMBL
267918,CC1=CCNC2=[NH+]CC([NH3+])CC(CC1)C2,0,GDB ChEMBL
71963,C#CC(CCCC#CC)CCC(C)(C)C,1,GDB ChEMBL
7365,CC#CCC1(c2cc(C)ncc2F)CC1,1,GDB ChEMBL
354865,CC1OC(=N)C(C)(C)C[NH+](C)C(C)C(O)C1C,0,GDB ChEMBL
111595,CCCCCc1c(C)ccc(Cl)c1C=O,1,GDB ChEMBL
195436,CC1CC1(C)OCC(=O)[O-],0,GDB ChEMBL
296328,CC(CCC=O)C(=[NH2+])NCC(=O)[O-],0,GDB ChEMBL
76774,CCNc1cncc(C(OC)C(C)(C)[NH3+])c1O,0,GDB ChEMBL
334085,CCC1C=CCC2CC[NH+](CCC1CC)C2,0,GDB ChEMBL
175724,C1=CCCC2CC3CC[NH+]3C2CCC1,0,GDB ChEMBL
291465,CC#CC1(CC)OCC1N1CC(C)C1,1,GDB ChEMBL
242679,CC1CC23CC1(C)CC2CC[NH+]3C,0,GDB ChEMBL
359119,CCS(=O)(=O)C(NC(N)=O)C(O)CO,0,GDB ChEMBL
362865,CNC(=[NH2+])CC1C=CCCC1C#N,0,GDB ChEMBL
70928,CNC1=[NH+]CC(O)C(C(C)C)N1,0,GDB ChEMBL
50287,C=C(N(C)C(=O)C[NH3+])N(C)S(C)(=O)=O,1,GDB ChEMBL
195505,CCN1CC2CC1C(C1CC1C)[NH2+]2,0,GDB ChEMBL
263967,CC1CCC2(C)CC([NH3+])CC(C)C(C1)C2,0,GDB ChEMBL
122666,CCCC(C)CC1(C)CCC(C)(C(C)C)CC1,1,GDB ChEMBL
204156,CC(CO)(COS(N)(=O)=O)n1ccnc1O,1,GDB ChEMBL
181691,CN1C(=O)C(C(=O)NC(=N)N)C1C[NH3+],0,GDB ChEMBL
191689,COC1CC2C([NH3+])C2(C)NC(=O)C1O,0,GDB ChEMBL
184920,CC([NH3+])COC1C[NH2+]C1CO,0,GDB ChEMBL
69624,CCC1C(O)C(C)(C)CCC(C(C)C)C1(C)C,0,GDB ChEMBL
192602,CCCC1CCCC2(CC1)CCC(CCC)C2,1,GDB ChEMBL
323946,CC1NC(C(C)C#N)CNC1=O,1,GDB ChEMBL
149984,C[NH2+]CCCCOc1nc(I)c(C[NH3+])[n-]c1=O,0,GDB ChEMBL
4843,C#CCC1CCC(C)(C)CCCC1CC(C)C,0,GDB ChEMBL
21880,CC1=CCCCC(C)C2(C)C[NH2+]C(C1)C2,0,GDB ChEMBL
218355,CC1=CC2(C)CC2C12CC[NH+](C)CC2,0,GDB ChEMBL
170403,COC1CC2C(CC3CC3)C2C1,1,GDB ChEMBL
392772,C[NH+](C)CC1C2[NH2+]CCC(O)(CC(N)=O)C12,0,GDB ChEMBL
194491,CC1C2CC([NH3+])C1OC(=O)CC1CC12,0,GDB ChEMBL
93413,CCn1nnc(C#CCO)n1,1,GDB ChEMBL
66200,CC1CC(O)C(OC(C)C)C1,1,GDB ChEMBL
67372,C=C(C(=CC)CC)C(C)(C)C(=O)[O-],0,GDB ChEMBL
397962,CC#CCCC(CC)C(C)(CC)CC,1,GDB ChEMBL
115187,CC[NH2+]C(COC(N)=O)C(C)(N)C[NH3+],0,GDB ChEMBL
122694,CC(C[NH3+])Cc1cccc(C(C)C)c1I,0,GDB ChEMBL
130653,CCC1CC(C)OC1C(N)C[NH3+],0,GDB ChEMBL
214904,CC(C)C(C)OC1CC2CCC1[NH2+]2,0,GDB ChEMBL
376664,C#CC(C)(C)OC1CC2(CCCO1)CC[NH2+]C2,0,GDB ChEMBL
109545,COCC1OC2CC(=O)C1C1C(=O)OCC21C,0,GDB ChEMBL
286838,CCC1(C)C=CC2CC21c1ccc(I)cc1,1,GDB ChEMBL
354337,NC(=O)NC(CO)C12CCOC1C2,0,GDB ChEMBL
372496,CC1C(=O)C(C#N)[N-]C(=O)C(O)CN1C,0,GDB ChEMBL
165980,O=CC1CC(O)C[NH+]1C1CCC1,0,GDB ChEMBL
230518,CCC(C)Cc1cc(C)c(C=O)c(F)c1,1,GDB ChEMBL
386403,Cc1ncc(S(N)(=O)=O)n1C(C)C,1,GDB ChEMBL
227565,CC#Cc1cc(CCOC)cc(C)c1C,1,GDB ChEMBL
322811,NC(=O)C#CCC(=O)NCC(=O)[O-],0,GDB ChEMBL
119829,CCC1C2C=CC(O)C1COC2C,0,GDB ChEMBL
295896,CC(C)CCC(C)(C)CCC1=CCCCC1,1,GDB ChEMBL
287011,CCC1C[NH+](C)C(C)C2NC12,0,GDB ChEMBL
194739,CC(C)CCC1CCCCC2(CC(C)C2)C1,1,GDB ChEMBL
340511,CCC1Cc2c(C)cccc2CCC1(C)C=O,0,GDB ChEMBL
350272,C#CC1CCc2cc(F)nc(OC)c2C1,1,GDB ChEMBL
325243,C#CCC1=CCC(=O)NC1,0,GDB ChEMBL
47358,CCC1CC(C)(c2cccc(N)c2)C1,1,GDB ChEMBL
83543,COCc1c(N)[nH+]c(C)c(OCC(C)O)c1C,0,GDB ChEMBL
271036,COCC1CCOC(=[NH2+])NC1,0,GDB ChEMBL
282192,N=C(N)N(C=O)C(=O)C(CO)[NH+]1CCCC1,1,GDB ChEMBL
102341,CC(C)N1C(N)=[NH+]C2(C(N)=O)C(CO)C12,0,GDB ChEMBL
273652,C=C1CC(C=O)C(O)CCNC1=O,1,GDB ChEMBL
140121,CCC1CC(C)CC(C)(C)C(C)CC1C(C)C,0,GDB ChEMBL
98648,CC1OCCCCNc2ccc(c(Cl)c2N)O1,1,GDB ChEMBL
147260,O=C1CC2COC(=O)C2N1,1,GDB ChEMBL
322846,N#CC(O)C1(C(=O)[O-])COC(=O)N1,0,GDB ChEMBL
104648,CC1=CCCC=C(CS(N)(=O)=O)NC1=O,0,GDB ChEMBL
124519,COC(=O)C1C([NH3+])C2CC(O)C1(O)C2O,0,GDB ChEMBL
109743,C#CCC(C)=CCCc1nccs1,1,GDB ChEMBL
76922,CN1C(=O)C(O)C([NH3+])C(O)C1CS(=O)(=O)[O-],0,GDB ChEMBL
299572,C=C1c2ccc(Cl)c(C)c2C2CC12,1,GDB ChEMBL
109531,CCCC#CCNC(C)(C)C#N,1,GDB ChEMBL
162502,Cc1cc(F)c2c(c1C(C)C)C1CC1(C)C2,1,GDB ChEMBL
17316,C[NH2+]CCCC1(C)CCCC23CCOC2C13,0,GDB ChEMBL
163851,CN(CCO)C(=O)NCC(C)([NH3+])CC[NH3+],0,GDB ChEMBL
44069,NC(=O)N1C2CC(C(=O)[O-])C(O)C21,0,GDB ChEMBL
141823,CC1=C(C(=O)[O-])C=CCC(=[NH2+])N1,0,GDB ChEMBL
148219,[NH3+]CCC(=O)OCc1cnc(O)s1,1,GDB ChEMBL
11721,Cc1nc(C[NH3+])n(C)n1,0,GDB ChEMBL
16734,CCC(CC(C)(CO)OC)c1cnccc1Cl,0,GDB ChEMBL
368218,C#CC1([NH2+]CCO)CC2C(C)C(C#N)CN2C1,0,GDB ChEMBL
1078,CCC[NH2+]CCN(C)c1cc(Cl)ccn1,0,GDB ChEMBL
262224,Cc1nc(N)n(CC2OC(C)CCC2(C)O)n1,0,GDB ChEMBL
28361,CCC(C(C)C)C1CC(C2C=CCCC2)C1,0,GDB ChEMBL
29016,CC1(COc2cc(C=O)cnc2CO)CC1,1,GDB ChEMBL
303299,CCCC1C([NH3+])C2CN1CC2[NH+](C)CC(C)C,0,GDB ChEMBL
108698,CN1C(C(=O)[O-])C2C(=O)CC=CC2S1(=O)=O,0,GDB ChEMBL
222158,NC(=O)C12CC3CN1C2CO3,0,GDB ChEMBL
332472,COC1CC2CC(C)C3CC2C1[NH2+]3,0,GDB ChEMBL
276177,CCC1CCC(C)CCCC2C(C)CCC12C,0,GDB ChEMBL
368543,CNC(NC(=O)NCC#N)=[NH+]C,0,GDB ChEMBL
135406,[NH3+]C1CC2C3CNc4cc(Br)cc1c4C32,0,GDB ChEMBL
102156,CCC1CC23CCCC2C([NH2+]C)C3NC1=O,0,GDB ChEMBL
336575,[NH3+]C(CO)CC1=NC(CO)C(O)C(=O)N1,0,GDB ChEMBL
172722,CC(C)OCC1C(C(N)=O)N1C(N)=O,0,GDB ChEMBL
218786,Cc1cc(C)nc(CN=CN(C)C=O)n1,1,GDB ChEMBL
160374,C#Cc1c(C[NH2+]C(C)CC)ccc(CO)c1Cl,0,GDB ChEMBL
278230,CCn1nc(NC)cc1[O-],0,GDB ChEMBL
384814,C[NH2+]CCC(O)C(O)COS(N)(=O)=O,0,GDB ChEMBL
394241,C[NH+]1CC(COCCCCC#N)C1,1,GDB ChEMBL
392742,Cc1nc(C(C)(O)COCC#N)cn1C,1,GDB ChEMBL
280847,CC1CC2C(=O)C13CC2CC3O,0,GDB ChEMBL
355347,CCCC1CC(=O)OCCC1([NH3+])CC,0,GDB ChEMBL
277552,C#CC1(O)C(O)C(=O)NC(C(N)=O)C(O)C1C,0,GDB ChEMBL
112851,CCC1CCC2C[NH2+]C2C([NH3+])C1,0,GDB ChEMBL
210765,CNS(=O)(=O)C1OCCC([NH3+])C1O,0,GDB ChEMBL
122007,CCC(O)CC1(CC(C)CO)CC1C[NH3+],0,GDB ChEMBL
296389,[NH3+]C(CO)C1CCOCOC1=O,0,GDB ChEMBL
84853,CC1=CCc2cnn(C)c2OC(=O)CC1=O,1,GDB ChEMBL
304074,CCC1C(CC[NH2+]C)CCN1C=[NH2+],0,GDB ChEMBL
376032,CCC(C)(O)C1CC2(CC1O)NC2C(N)=O,0,GDB ChEMBL
336075,CC1CC1CC1=CCNC(=O)C1O,0,GDB ChEMBL
227258,C[NH2+]C1COC(C(=O)[O-])CCC1(O)C[NH3+],0,GDB ChEMBL
87484,C#CC#Cc1ccccc1OC(C#C)C#C,1,GDB ChEMBL
349448,C=C(CCCC[NH3+])CCCC(N)=[NH2+],0,GDB ChEMBL
197445,NS(=O)(=O)CC1([NH3+])C2CC(CO)OC21,0,GDB ChEMBL
280773,C#CC1CC(c2nccc(F)c2C[NH3+])CC1[NH3+],0,GDB ChEMBL
299997,CCCCC1(OC)CC2CCCC2(O)C1C[NH3+],0,GDB ChEMBL
160847,C[NH+]=C1NC(C#N)CC1CO,0,GDB ChEMBL
26970,CCc1nc(C(N)=[NH+]CC(O)C(=O)[O-])[nH]c1C,0,GDB ChEMBL
349465,NCC(=O)N1C(C2CCCO2)CCS1(=O)=O,0,GDB ChEMBL
330124,COC(C)C1NC(=O)COCC1C[NH+]=C(N)N,0,GDB ChEMBL
255328,CCCC1(C2CC(C)CC2C)CCCC1,1,GDB ChEMBL
200596,CCC([NH3+])C12C([NH3+])CC(C(C)O)C1CCN2C,0,GDB ChEMBL
355814,C1=CCC2[NH2+]CCC23CCCC3C1,0,GDB ChEMBL
24537,COc1c(Br)cc(Br)c(CC2CC2)c1Br,1,GDB ChEMBL
190081,CCC1C(O)CC2COCC1C2C,0,GDB ChEMBL
26338,C#CC1OC2CCCCC1(CC([NH3+])CCO)C2,0,GDB ChEMBL
81785,CCc1ccccnc2cc(C)c(Br)cc2s1,0,GDB ChEMBL
70911,CC1(C[NH3+])CCC(O)C1O,0,GDB ChEMBL
70876,[NH3+]C12COC(C(O)C(O)C1NC=O)C2C(=O)[O-],0,GDB ChEMBL
255344,CC12OC(CO)C3CC1C2(C[NH3+])N3,0,GDB ChEMBL
182085,C#CC(CCCC#N)CC1CC(C)(C)CC1=O,1,GDB ChEMBL
38758,NC(=O)C[NH2+]C1CC2C(O)C2C1O,0,GDB ChEMBL
116369,Cc1cc(F)c(F)c(CCC(F)(F)F)c1F,1,GDB ChEMBL
386582,CC([NH3+])c1cc(C#N)nc(N)c1OC(N)=O,0,GDB ChEMBL
353235,CS(=O)(=O)NCC1C(=O)OCC1O,1,GDB ChEMBL
111501,CC1C([NH3+])C(=O)N2CCC(O)C12,0,GDB ChEMBL
338603,NC(=O)C1CC(=[NH2+])NC(C(N)C[NH3+])C(O)CN1,0,GDB ChEMBL
21467,NC(=O)CNC(=O)OC1CNC(=O)C1,1,GDB ChEMBL
378136,COC1OCCC1C(C)O,1,GDB ChEMBL
334659,CCc1n[nH]cc1C(=O)C(C)C=O,1,GDB ChEMBL
397919,CC1C[NH2+]C2CCC(=O)CC2C2OC12,0,GDB ChEMBL
17301,CC(C)C1C[NH2+]CCC12CC(C)N(C)CC2[NH3+],0,GDB ChEMBL
113562,CN(C=O)C(=O)C1OCC(O)C1O,1,GDB ChEMBL
307483,O=C1OC2C=C1COC1C[NH2+]CCC2C1O,0,GDB ChEMBL
195510,COC1C(C(=O)[O-])CC1(C)[NH3+],1,GDB ChEMBL
362029,CC1(C)c2cc(C(F)(F)F)ccc2CC1C#N,1,GDB ChEMBL
19597,CCC([NH3+])C1C(=O)NC23CNS(=O)(=O)C2C13O,0,GDB ChEMBL
389096,CNc1cnc(N)cnc1=O,0,GDB ChEMBL
172379,OCc1ccc2c(c1Cl)C#CCCCC=C2,1,GDB ChEMBL
251045,CCc1nc(C[NH3+])c(=O)[nH]c(=NC)c1CO,0,GDB ChEMBL
127730,COC(=O)C1(N)C2OC(C)(C)OC21,0,GDB ChEMBL
349652,C#Cc1cc(Br)ccc1C1(C(C)C)CC1,1,GDB ChEMBL
299727,CC(=N)N1CC(C(O)(C(N)=O)C(C)C)NC1=O,0,GDB ChEMBL
264953,N#CCN(CCO)C(=O)C[NH+]=CN,1,GDB ChEMBL
141991,CCC1[NH2+]C2CC(C1=O)C(C)C(C)(C)C2,0,GDB ChEMBL
151276,CCC1(O)C([NH3+])C1(C(=O)[O-])S(=O)(=O)NC,0,GDB ChEMBL
382184,CS(=O)(=O)C(CCO)C1(O)C[NH2+]C1,0,GDB ChEMBL
238040,CC1CCCC2C=CC(CC1)C2(C)CC#N,0,GDB ChEMBL
39742,CCNC(=O)CCS(=O)(=O)C1(C(=N)N)CO1,0,GDB ChEMBL
354009,CNC(=O)C(NC)C1=NCC(C(N)=O)N1C=O,0,GDB ChEMBL
139785,CS(=O)(=O)NC(=N)NCCC(N)=O,1,GDB ChEMBL
207282,O=CCOCC[NH+]1CC=CCC(C2CC2)C1,0,GDB ChEMBL
210752,CCC1(CC)CCCC(=O)NC(C)=C1C,0,GDB ChEMBL
99450,CC(O)C([NH3+])C1CC(=O)OC2C=CC1C2,0,GDB ChEMBL
232087,CCCCCC1CC2CC(C)CC(C)(C)C1C2,0,GDB ChEMBL
96061,C#CCC#CCc1ccnc(F)c1C,1,GDB ChEMBL
240028,O=CC([NH2+]CCCCO)C1CO1,0,GDB ChEMBL
41278,COC1Cc2csc(c2)CCCC[NH2+]C(C)C1,0,GDB ChEMBL
250550,C#CC(C1CC1)C(C#N)C(C)CCC,0,GDB ChEMBL
238194,CC[NH2+]C1C2CCC1C1(CC1)C2C,0,GDB ChEMBL
389389,C#CC1(c2ccc(F)c(C(C)C)c2C)CC1,1,GDB ChEMBL
109607,CC1CC2CC23c2c(Cl)cccc2C(C)C13,1,GDB ChEMBL
277927,CCCC1(C)C(C)C(CO)OC(C)C1(C)C,0,GDB ChEMBL
58946,CCS(=O)(=O)CC(C[NH+]=C(N)C1CC1)NC,0,GDB ChEMBL
361142,CC(C[NH3+])OC1CC1C1C[NH2+]C2CCCC21,0,GDB ChEMBL
38901,CCc1cc(NC2=[NH+]CCN2)c(=O)sc1CO,0,GDB ChEMBL
267880,CCC1CC(C)([NH3+])CCCOC1C,0,GDB ChEMBL
3022,C#CC1(OC(C)(C)CC)CN(C)C1,1,GDB ChEMBL
390523,C#CC1Cc2cc(CC(C)(C)O)cc(C)c2C1,1,GDB ChEMBL
61661,O=C(CCCCO)C1COC1,1,GDB ChEMBL
172374,CC1=CC(CC(C)[NH3+])N(CC#N)C1,0,GDB ChEMBL
271480,Cc1cccc(Br)c1C1(C)CC=CCC1,1,GDB ChEMBL
58485,CCC12CCCCC1C(C)C=CC(C)C2,0,GDB ChEMBL
75054,Clc1cc2c(cc1C1CCC1)C=CCC2,1,GDB ChEMBL
181682,CC[NH+](CCO)C(CO)C1(O)C(N)C1O,0,GDB ChEMBL
54112,CCCCCC1(C)CC(C)CC12CC2,1,GDB ChEMBL
5284,CCCC1CC(C)(CO)Nc2cccc(Br)c21,0,GDB ChEMBL
348618,CCC(=O)C(CCO)(C(C)O)N(C)C(N)=O,0,GDB ChEMBL
10968,CC[NH2+]CC(CC)CC(C[NH3+])C1C=CCO1,0,GDB ChEMBL
83485,CCC1C(C)OC2C(C)C(OC)CC12,0,GDB ChEMBL
26319,CCC(=O)N1C2CC(C)(C[NH3+])CC21,0,GDB ChEMBL
208277,CC(O)C1(CC2C=CCC(=O)N2C)CO1,0,GDB ChEMBL
162542,CC(C1COC(=N)C1O)[NH+]1CCC1,0,GDB ChEMBL
386206,CC(C)CC12CC3CCC(C1C2C)[NH+]3C,0,GDB ChEMBL
256160,COC1C=CCC(=O)[N-]C(C)(C#N)C1=O,0,GDB ChEMBL
54848,COC(=O)C1(C#N)C2NC(C[NH3+])CC21C[NH3+],0,GDB ChEMBL
386568,CC(O)C(C[NH3+])C(=O)NC=N,0,GDB ChEMBL
392508,COC(=O)Nc1nc(OC)c[nH]1,1,GDB ChEMBL
354767,CN(CCC(N)=[NH2+])CC([NH3+])Cc1cnsc1,0,GDB ChEMBL
182883,NC(=[NH2+])C12CCCC(C1)OC2,0,GDB ChEMBL
391497,CC(O)C1C2NC(=O)C1([NH3+])C2CO,0,GDB ChEMBL
317732,CCCCC12CC(C)C(C)(C1)C(CC)C2CC,0,GDB ChEMBL
174900,CC1C=CCc2c1ccc(CO)c2F,1,GDB ChEMBL
78357,CC(C)(O)c1ncccc1CO,1,GDB ChEMBL
284284,O=C1NCC1C1CC(O)C[NH2+]1,0,GDB ChEMBL
126907,CCCC(O)CC1(C(C)C)C=CCC(C)C1,0,GDB ChEMBL
325234,CC(OC(CO)C(N)C[NH3+])C(N)=[NH2+],0,GDB ChEMBL
385458,Nc1nc2n(c(=O)n1)CC(N)C(=O)O2,1,GDB ChEMBL
385422,CCCNC(C#N)C1CC2(C=O)CC(=O)C1C2,0,GDB ChEMBL
260541,NC1=[NH+]CC(=O)CCCCN1,0,GDB ChEMBL
252337,CC1=CC(C2CC2)C(C)CC(C)CC1,0,GDB ChEMBL
41113,COC1C2C[NH2+]C3CC(O2)C(=O)C31,0,GDB ChEMBL
387278,CCCC1OC(COC)C2C([NH2+]C)C12,0,GDB ChEMBL
394265,CCC12CC1(O)CCC(CC(C)O)C(=O)N2,1,GDB ChEMBL
281645,Cc1cc(F)cc2c1C(C)C1C(C)C2C1C,0,GDB ChEMBL
230451,[NH3+]C1CCOCC1C1CCC(CO)NC(=O)N1,0,GDB ChEMBL
336051,CC[NH2+]C12CC1CC([NH3+])C2(O)C(=O)[O-],0,GDB ChEMBL
62005,Nc1c(CC(C[NH3+])CC(=O)[O-])noc(=O)c1I,0,GDB ChEMBL
252636,CCC1OC(=O)C=CC1([NH3+])CC(C)O,0,GDB ChEMBL
271793,C#CCC1CCC(C)CCC(C)CC1C,0,GDB ChEMBL
115274,NC1CC(C2CC=CC(=O)O2)=CCOC1=O,0,GDB ChEMBL
66606,C=CC1OS(=O)(=O)[N-]C(=O)C(N)C1O,0,GDB ChEMBL
318077,CC(CCO)C(=O)C1(O)C(O)C1O,0,GDB ChEMBL
288110,CC[NH2+]Cc1ccc(Br)c2c(C)[nH]cc12,0,GDB ChEMBL
229410,CCC1CC(C)(C#N)C(C)C(=O)NCC1(C)C,0,GDB ChEMBL
156223,CCCCC1(CCC2CC2)CC=CC=CC1,0,GDB ChEMBL
193331,C1CC2CC3C(C1)CC3CC[NH2+]2,0,GDB ChEMBL
391673,NC(=O)OC1(C[NH3+])CNC1C(=O)[O-],0,GDB ChEMBL
395612,[NH3+]C1CC(C(=O)[O-])C2CS(=O)(=O)NC12,0,GDB ChEMBL
215305,NC(=O)c1ccnc(N)cc1=O,1,GDB ChEMBL
48063,CCC1(O)CCOCC1=O,1,GDB ChEMBL
307509,CC(CC(N)=O)C1([NH3+])C2COC(=[NH2+])NC21,0,GDB ChEMBL
124127,CCC[NH+](C)C(C)C1(C)CCC[NH2+]C1(C)C,0,GDB ChEMBL
227788,C[NH2+]C1CC2OC1CNC2=O,0,GDB ChEMBL
2142,CC1NCCN=C1N(C)C(=O)C(=O)C1CC1,0,GDB ChEMBL
99148,COC12CCC(C1)C(O)c1cccc(C)c1C2,1,GDB ChEMBL
324028,C#CC(=[NH2+])NC(C[NH3+])(CCC)CCCCCC,0,GDB ChEMBL
179314,CCCC1N(C)C(=O)C2(CC2)C12CC=CC2,0,GDB ChEMBL
81561,C#CC1CCCc2c(CC[NH3+])c(Br)cc(C)c21,0,GDB ChEMBL
31334,CCNc1ccc(C)c2c1C1OC(C)C1N2,0,GDB ChEMBL
127210,CCC1(C#N)C(O)C1NC=O,0,GDB ChEMBL
171325,CCOCC1Cc2c(c(C)nn2CC)CC1[NH3+],0,GDB ChEMBL
320309,CNC(=O)C(C)(O)CN1CC(CO)OC1=O,1,GDB ChEMBL
137380,N#CC(O)CN1CCC(=O)C1,1,GDB ChEMBL
249502,NC(=[NH2+])C1C(=O)C2CC(NC(=[NH2+])O2)C(O)C1O,0,GDB ChEMBL
308238,C#CCC(C)=CCCCCC1CC1,1,GDB ChEMBL
282255,CC=CC([NH3+])(CCC)C(C[NH3+])CO,0,GDB ChEMBL
334163,CCOC1(C(C#N)C(C)(C)C)CN2CC1C2,0,GDB ChEMBL
8666,C=CCC1(C(C=CC)CCO)CC1,0,GDB ChEMBL
258024,CCOCC1(OC)C=CC(C)(C)CCC1,0,GDB ChEMBL
284299,CCC(C)C1CC(C)(C)CC1CC1CC1,1,GDB ChEMBL
228354,CCc1ncc(C(C)=O)c2cc(N)c(F)nc12,1,GDB ChEMBL
58975,COc1nsc(NCC(N)=O)c1C,1,GDB ChEMBL
348877,CCNS(=O)(=O)c1sc(CO)nc1N,1,GDB ChEMBL
252843,CC1CC2(C(=O)[O-])C3C([NH3+])CC1N32,0,GDB ChEMBL
33515,CNc1nsc(C)c1NC(=O)OC(C)COC,1,GDB ChEMBL
39958,C[NH+]=C(N)C(C)CCCCC(=O)OC,0,GDB ChEMBL
115031,CC1OC(OCC(N)=[NH2+])C(C([NH3+])C(=O)[O-])C1O,0,GDB ChEMBL
259533,CC1C[NH2+]CCC2NC(=C(C=O)C2O)CO1,0,GDB ChEMBL
369863,CCC1(C)CC2CC1[NH2+]C2CC[NH3+],0,GDB ChEMBL
207312,C[NH2+]C1CC(OC)C1C,0,GDB ChEMBL
169440,NC1=[NH+]C(C[NH3+])C2OC(=O)C(O)C2N1,0,GDB ChEMBL
5323,CCS(=O)(=O)COCC(=O)NC(N)=O,1,GDB ChEMBL
34781,NC(=O)C(N)C1(C(O)CO)CC1[NH3+],0,GDB ChEMBL
304878,CC1COCCC1OC1CCCCC([NH3+])C1C,0,GDB ChEMBL
112898,CC1NS(=O)(=O)CC1[NH2+]CC(=O)[O-],0,GDB ChEMBL
293803,COc1nsnc1C(C)CC(O)C(C)[NH3+],0,GDB ChEMBL
127638,CN(CC1C([NH3+])C(=O)NC1(C)C)c1ncns1,0,GDB ChEMBL
112345,N#CCNC1CNC(=O)C1=NO,1,GDB ChEMBL
54793,C#CCC(C)C1CCC(C)(CC(C)C)CC1C,0,GDB ChEMBL
259083,[NH3+]CCC(C(O)CC(=O)[O-])S(=O)(=O)[O-],1,GDB ChEMBL
161918,CC1CC=C2CCC(CCCC1)CC2,1,GDB ChEMBL
180800,CN=C1NC(=O)C(NC(N)=[NH2+])CO1,0,GDB ChEMBL
345460,CCc1cc(CCC(C)C)c2c(c1)C(C)CO2,1,GDB ChEMBL
132275,CC(CC1CC([NH3+])CC(C)(O)C1)C1C[NH2+]1,0,GDB ChEMBL
219530,CC1C=CC[NH+](C)C1C1CC1,0,GDB ChEMBL
170289,C#Cc1cccc(O)nc2c(cc1)C(C)CC2,0,GDB ChEMBL
294818,NC(=[NH2+])C12CC(CC(=O)O1)[NH2+]C(CO)C2O,0,GDB ChEMBL
89663,CC(C)CC1C2CCC1C1CCCCC2C1C,0,GDB ChEMBL
148228,CC1OC(=O)NCC2CC(C)(C2=NO)C1O,0,GDB ChEMBL
235622,N#CCCN1CS(=O)(=O)CC2(CC2)OC1=O,0,GDB ChEMBL
202035,C[NH2+]C1(CO)CC(N(C(C)=N)C(=O)C[NH3+])C1,0,GDB ChEMBL
386664,CCCC(CC)CC1CC(C)CC1O,1,GDB ChEMBL
238030,C1#Cc2ccoc2CCCOC1,1,GDB ChEMBL
75007,CC#CC1(N)CN(CCO)C1C(N)=O,0,GDB ChEMBL
48067,CCC1CNS(=O)(=O)CC(CC[NH3+])=C1CO,0,GDB ChEMBL
334749,C[NH+](C)CC(C)(C=O)CO,1,GDB ChEMBL
112750,C[NH2+]CC1CN(CC#N)C(=O)C2NC12,0,GDB ChEMBL
227531,N=C(NC(=O)C1(CC[NH3+])CC1)C(O)C(=O)[O-],0,GDB ChEMBL
53045,Cc1cnc(CC#N)c(C2([NH3+])CC(O)C2)n1,0,GDB ChEMBL
126944,COC(=O)NC1C(=O)NC(C(N)=O)C1=O,0,GDB ChEMBL
29907,O=C1CC2C3OC(=O)CC23CCN1,0,GDB ChEMBL
164650,CC1CCC[NH+]1C1(C)C(C)CC2CC21,0,GDB ChEMBL
143774,C#CC(C)NC(CC#N)CC(C)=O,1,GDB ChEMBL
44120,CC1[NH2+]CC12CNCCN2CCO,0,GDB ChEMBL
65935,CCC1(c2ccsc2)CC2CCCC(C1)C2O,0,GDB ChEMBL
95949,Cc1c(F)nc(CN(C)CC[NH3+])c2ncsc12,0,GDB ChEMBL
172315,O=C1Cc2c[nH]nc2C(CO)O1,0,GDB ChEMBL
76059,[NH3+]C1CC(=O)NCC2(CO)OCC12,0,GDB ChEMBL
36181,COC(C)(CNC(N)=[NH2+])Cn1cc(O)[nH]c1=O,0,GDB ChEMBL
284370,CCOC(=O)NC1=CCC(C)C1,1,GDB ChEMBL
277870,COC(=O)C(C)NC(=O)C(C)=NO,1,GDB ChEMBL
130601,CNC(=O)C(CC([NH3+])CN)C(N)=O,0,GDB ChEMBL
156763,C#CCc1nc(Cl)c(C)cc1CCCC(C)C,1,GDB ChEMBL
271095,C[NH+]=C(N)NC(CN)C1C=CCC1O,0,GDB ChEMBL
280829,C#CC(C#C)Cc1cc(Br)ccc1C(C)C[NH3+],0,GDB ChEMBL
159725,COC1(CC(O)C(O)C(=O)C#N)CCC[NH2+]C1,0,GDB ChEMBL
33158,C=C1C(C)[NH+]2CCOCCC(O)C12,0,GDB ChEMBL
59681,CCC1CC2C(CO)CC(C[NH+]2C)O1,0,GDB ChEMBL
225462,NC1CCOC(=O)NC(=O)NC1=O,1,GDB ChEMBL
97197,COC1C2CC3(C)NC(=O)C2C13,0,GDB ChEMBL
156016,C=Cc1cc2[nH]ccc2c(F)c1C,1,GDB ChEMBL
225856,NC1C(=O)NC(=O)C2OCC12C(=O)[O-],0,GDB ChEMBL
22047,CC(C)C(CC1CO1)C(C)(C)C,1,GDB ChEMBL
124800,CS(=O)(=O)CC(=O)C1CC[NH2+]1,0,GDB ChEMBL
222776,CC1C2(CC(=O)[O-])CC([NH3+])C2NS1(=O)=O,0,GDB ChEMBL
342589,CCC(=O)CC(CC)CO,1,GDB ChEMBL
13177,C#CCC1CCC(=O)C=C(C)C(C)CC1,0,GDB ChEMBL
302589,CCCC1=C(C)CC2CC1CCC[NH2+]2,0,GDB ChEMBL
167288,CCC1[NH2+]C(C(C)C)CC1CC[NH3+],0,GDB ChEMBL
260716,CCCCC12[NH2+]CC1CC(C)C2[NH3+],0,GDB ChEMBL
174277,CCCC(C=O)N1CC(C=O)C1,1,GDB ChEMBL
304863,NC(=O)CC1NC(=O)OC2C(O)CC1([NH3+])C2N,0,GDB ChEMBL
352610,CC(=O)N(C)C1C([NH3+])CC2(S(N)(=O)=O)OC12,0,GDB ChEMBL
109778,CC[NH2+]CCCc1c[nH]c(=O)cn1,0,GDB ChEMBL
318010,[NH3+]CCC(O)C1CCOC1(C[NH3+])CO,0,GDB ChEMBL
380604,Cc1cccc2c1C1(C)C3CC=CC(N2)C31,0,GDB ChEMBL
383081,CC1C2N(C)C(=O)C3OCC(O)C312,0,GDB ChEMBL
344379,CC12CC[NH+]1CCC(=O)OC2,0,GDB ChEMBL
223325,CC1CC1C(C)C1CC[NH2+]C1,0,GDB ChEMBL
124154,CNC(C(O)C[NH3+])C(NC)(C(N)=O)C(=O)[O-],0,GDB ChEMBL
85811,O=C(OCc1ccncn1)C(O)c1cncs1,1,GDB ChEMBL
132328,COC1CC(CO)C(N)(C(=N)NC(C)=O)C1[NH3+],0,GDB ChEMBL
299195,COC1C(C)CC2CC1(C)C(C)C2CO,0,GDB ChEMBL
190504,CN=CN1CCCC(=O)c2c(C)ccc(F)c21,0,GDB ChEMBL
39682,CC[NH2+]CC1(C)CC(O)(C[NH3+])CC1C(=O)OC,0,GDB ChEMBL
376950,CCC(C#N)C(NS(C)(=O)=O)C1C(C)C1O,0,GDB ChEMBL
302288,N=C1OC(CC(N)=O)C2(CC(=O)[O-])NC12,0,GDB ChEMBL
106999,NC(=O)C1OCC(NCCO)=NC1C=N[O-],0,GDB ChEMBL
305559,CC12CCCC(CC3C[NH+](C3)C1)C2,0,GDB ChEMBL
335526,[NH3+]CCC(O)Cn1ncnn1,0,GDB ChEMBL
289451,C=CC1CC2OC(=O)C(C)C1C2O,0,GDB ChEMBL
35290,CC(C)[NH2+]C1CNC2(C#N)CC12,0,GDB ChEMBL
28291,Cc1c(N)c(=O)ncn(CC[NH3+])c1=O,0,GDB ChEMBL
338910,CCC#Cc1cc(I)ccc1N,1,GDB ChEMBL
155104,CCc1oc(CCO)cc1C,1,GDB ChEMBL
181564,C[NH2+]CC1C(=O)CNC2CC(OC)C1C2O,0,GDB ChEMBL
350678,O=C1CC=CCCC2=CCN1C2,1,GDB ChEMBL
318753,COCc1cc2c(cc1Cl)CCC2C,1,GDB ChEMBL
190351,CCC(C)(CCc1cccc(Cl)c1)CC(C)C,1,GDB ChEMBL
51066,C[NH2+]CCC([NH3+])(CO)C1OC1C(N)=O,0,GDB ChEMBL
155073,N#CCN=CNC(=O)c1c(Cl)ccc([O-])c1Cl,0,GDB ChEMBL
325766,CN1C(C([NH3+])COC(N)=O)C1C(O)C(N)=O,0,GDB ChEMBL
315224,CN(C(=N)S(=O)(=O)N(C)C=O)C(=O)CC[NH3+],1,GDB ChEMBL
333923,C#CC1CC1OC(=O)C1CC1,1,GDB ChEMBL
48078,C=CC(=CC)C(C)CCC(C)(C)C,1,GDB ChEMBL
26928,CCC1OCC=CC2C1C(O)C[NH+]2C,0,GDB ChEMBL
5285,CC1CCC2(C)CC1C1(C)C(O)CCCCC21,0,GDB ChEMBL
204188,CCC1(C)COC2CC(CC(C)C)[NH2+]CCC21,0,GDB ChEMBL
13127,CC1CCC2CC1C(C)[NH2+]C2CN,0,GDB ChEMBL
226207,COC1C2[NH2+]CC1(C)C(C1CCOCC1)C2=O,0,GDB ChEMBL
141692,C(#CC[NH+]1CCCC1)CC1=CCCC1,0,GDB ChEMBL
374351,NC(=O)C(CO)N1C2C[NH2+]C(C2O)C1C(N)=O,0,GDB ChEMBL
181744,CNC(=O)C1CCc2c(cc3n2CCC3)C1,1,GDB ChEMBL
51011,C=CCC1CCCC[NH+]2C1C2(C)C,0,GDB ChEMBL
305065,CC(CC1NC1C(N)=O)C(=O)C(=O)[O-],0,GDB ChEMBL
242997,COCC1OC(=O)C(N)C1C#N,0,GDB ChEMBL
305284,Cc1ccc2c3cccccc3n(C(C)C)c12,0,GDB ChEMBL
17312,CC(C)CC1OCC(C)(C)C2CN2C1CO,0,GDB ChEMBL
189785,CNCC1[NH2+]C(C)CC2CC21,0,GDB ChEMBL
33901,CC1C(CC[NH3+])CCC2CC21,0,GDB ChEMBL
227886,N#CCCN1C(=O)C2CNCC1S(=O)(=O)N2,0,GDB ChEMBL
395956,C=C1CCC2C(O)C1C(C=O)[NH+]2C,0,GDB ChEMBL
307584,CC(C)CCC(O)COCC[NH3+],0,GDB ChEMBL
310988,CCC1COCC(=O)C1NC(N)=[NH2+],0,GDB ChEMBL
81582,CC(O)CC1C(O)C(O)C(CNC(N)=O)C1O,0,GDB ChEMBL
268130,Oc1ccc(F)c(C2=CC=CCC=C2)c1,0,GDB ChEMBL
81610,CCCC1([NH+](C)C)C=CC(NC(C)=O)C1N,0,GDB ChEMBL
111579,C=CCC(C)C1CC1CC=C(C)C,0,GDB ChEMBL
345775,CCC1OCC(C)(C)C1C1=CC(C)[NH+](C)C1,0,GDB ChEMBL
300474,NC(N)=[NH+]CCOCCCC(=O)NC=O,0,GDB ChEMBL
217394,C[NH2+]CC1C([NH3+])C12CCC([NH2+]C)C2,0,GDB ChEMBL
112408,CC1COC2C(C)C(NS2(=O)=O)C(=O)N1,0,GDB ChEMBL
302604,C#CC(=O)OCc1ccc(C)c(C)c1Br,1,GDB ChEMBL
309854,C#CC1CC(C(C)(C)C)C(C)(O)C[NH+]1CCO,0,GDB ChEMBL
191712,C#CC1(C(O)C(C)OC)CCC(C(C)C)CC1,0,GDB ChEMBL
225203,C[NH+]1CC(C)(C)CC12CCC(CC=O)CC2,0,GDB ChEMBL
5271,CCCC=Cn1cc(N)nc1C#N,0,GDB ChEMBL
234494,N#CS(=O)(=O)C(=O)C(O)c1cccnc1,1,GDB ChEMBL
362585,C#CCC1CC(O)(CC#N)CC1C[NH+](C)C,0,GDB ChEMBL
379110,CC1C(O)CCC23COC(CC12)C3,0,GDB ChEMBL
116627,CCC1(C)C=C(CC2CC2)CC(COC)O1,0,GDB ChEMBL
271521,CCC([NH3+])C1(C#N)C2CC=CCCCCC21,0,GDB ChEMBL
274602,CCC1COC(=O)C(N)C(c2n[n-]c(=O)o2)N1,0,GDB ChEMBL
257432,[NH3+]CC1OC2C(CC(=O)[O-])NC1C2[NH3+],0,GDB ChEMBL
29197,CCC(CNC(N)=O)OCC[NH3+],0,GDB ChEMBL
340494,C#CCCN=C(N)c1ncnn1C,0,GDB ChEMBL
216489,C#CCCCCOC(=O)C(C#N)CN,1,GDB ChEMBL
191395,CC1C=CCCCN(C)c2cc1cc(F)n2,1,GDB ChEMBL
348884,CN1CC2(C=C(c3ccncc3)C[NH2+]C2)C1,0,GDB ChEMBL
292328,CN=C(CC(N)=O)OC(=O)NC(N)=O,1,GDB ChEMBL
175671,CN1C(=O)OC2(COC2)C1C(N)=O,1,GDB ChEMBL
29213,C#CCOC1C(C)OC(C([NH3+])COC)C1C#N,0,GDB ChEMBL
366925,CCC1CC2(C)CCCC1C2CC(F)(F)F,0,GDB ChEMBL
123040,CN1C(=O)OC2OCC(=O)C1C(O)C(O)C2O,0,GDB ChEMBL
383274,O=C1CC2COC(CCO)C2C1,0,GDB ChEMBL
330034,COCCNC(=N)C#N,1,GDB ChEMBL
61312,N#CCOC1CCC2CCCCC=CC2C1,0,GDB ChEMBL
133305,CC(CC(C)(C)C)C1([NH3+])CC1,0,GDB ChEMBL
173950,N#CC(CCO)C1NCCC=C1C=O,0,GDB ChEMBL
396717,CC(C)C1C2CCC(C)(C2)[NH+]1C,0,GDB ChEMBL
252903,CC1CC(=O)N1C(=O)C1CC1,1,GDB ChEMBL
392716,CCCC(C)CN1CC(C)(C)N=CNC1=[NH2+],0,GDB ChEMBL
77314,CC(N)C(=O)N(C)S(C)(=O)=O,1,GDB ChEMBL
187256,O=C([O-])COc1c(Cl)n[nH]c(=O)c1[O-],0,GDB ChEMBL
271861,CCC[NH2+]C1CC2C=CC(C)C(C(C)O)C21,0,GDB ChEMBL
106657,CCC1(C2COc3ccncc32)[NH2+]CC1N,0,GDB ChEMBL
308665,Cc1n[nH]c(=O)cc1COC(C)C(=O)CC=O,1,GDB ChEMBL
280286,CC1CC2C(CO1)CC1CN2C1C(F)(F)F,0,GDB ChEMBL
135816,CC(=O)C1CCN2C(=O)C(C=O)N=C12,0,GDB ChEMBL
312233,NC(=O)C1CCC(=NO)CCNC(=O)C1O,0,GDB ChEMBL
319313,CC(C#N)Nc1ccc2nc(O)cc(Br)c2n1,1,GDB ChEMBL
330036,NS(=O)(=O)c1cc(CO)cc(=O)o1,1,GDB ChEMBL
161056,CCOCC1CC(=NO)C(OC(C)CO)=N1,0,GDB ChEMBL
354013,C#CC(C#C)(CCC)C1(COC)[NH2+]CCC1C,0,GDB ChEMBL
221125,CCCC1CCC2CC(C)(C1)CC(CC)O2,0,GDB ChEMBL
273455,CC1C2C(C3CCC[NH+]13)C2(C)C,0,GDB ChEMBL
281974,CC1C(O)C([NH3+])C(O)C1C(C#N)C(N)=O,0,GDB ChEMBL
302626,COCC(O)C1C(C)CC2C[NH2+]C1(C)C2,0,GDB ChEMBL
321822,CCOc1ccc2n1C(=O)NC2,1,GDB ChEMBL
330361,CCC1OS(=O)(=O)NCC1C(N)=O,0,GDB ChEMBL
217103,CC(C)(O)C(NC(N)=O)C([NH3+])C(O)C(N)=O,0,GDB ChEMBL
247375,CCCC1CC(C)(C)C(=O)CC1(CC)CCC,0,GDB ChEMBL
385588,CC1=CCCC(C)C2CC(C)CC2C1,0,GDB ChEMBL
48758,CC1CCC(=O)C2C(=NO)C(O)CN2CC1,0,GDB ChEMBL
46866,Cc1ccsc1C1NC(=O)C(C)([NH3+])C1C,0,GDB ChEMBL
262566,CCC1CC(CC(C)NC=[NH+]C)C[NH+]1C,0,GDB ChEMBL
97753,CCCCC(CC1CC1(C)CC)[NH2+]C,0,GDB ChEMBL
43533,Cn1nc([O-])c2c(NC(N)=[NH2+])c[nH]c2c1=O,0,GDB ChEMBL
16023,NC(=O)C1C(O)C([NH3+])C(O)C1O,0,GDB ChEMBL
280887,C#CC(C)C(C(N)=O)C1CCOC1,0,GDB ChEMBL
50364,CCNc1nc(C([NH3+])C(C)O)[nH]c1CCCO,0,GDB ChEMBL
279286,C#CC(C)CC1C2NCC(CO)[NH+]1CC2O,0,GDB ChEMBL
243325,CNC(=[NH2+])NCCOCC(=O)Cn1ncnn1,0,GDB ChEMBL
321447,CC1CC2CC1C[NH+]1CCOC(C2C)C1C,0,GDB ChEMBL
161108,CC[NH2+]C1CC2CC(C)(CC2C(C)C)C1N,0,GDB ChEMBL
186648,CC(C)c1scnc1Oc1c[nH+]c(N)cc1N,0,GDB ChEMBL
225851,CC1C(C#N)C(N)(C(O)CO)CN1C,0,GDB ChEMBL
244673,COC(CO)C(O)(CC[NH3+])C(N)=[NH2+],0,GDB ChEMBL
218533,COC1(CO)CC2[NH2+]C(C)C1C2C[NH3+],0,GDB ChEMBL
72362,CCCC12CCC3CN1C2C3O,0,GDB ChEMBL
326456,CC1(CC(N)=O)OC1CS(N)(=O)=O,1,GDB ChEMBL
7373,CCCCC1CCCC1(C)C1CCCCC1C,1,GDB ChEMBL
199459,COc1ncocnc(C(=O)[O-])cn1,0,GDB ChEMBL
69607,CCC1(C)C(=O)N2CC(C(C)C)CCC21,0,GDB ChEMBL
16716,CN1CC2([NH3+])C(O)C2C1CNC(N)=O,0,GDB ChEMBL
147967,CC1CCC2C(C1)CC1CC3(CCC12)CC3,0,GDB ChEMBL
383326,NC(=O)CNc1nc(=O)c(N)co1,0,GDB ChEMBL
33218,CCCCC1=CC(C(C)C)=CCOC1,1,GDB ChEMBL
395656,CCC1C([NH3+])C1(O)CO,0,GDB ChEMBL
283279,Cc1ccc2c(c1C(F)(F)F)C(C)CN2C,1,GDB ChEMBL
118132,CC(=O)CNC(CS(C)(=O)=O)C1CC[NH2+]1,0,GDB ChEMBL
304856,C#CCC1C(C#CCO)C1(C)CCCCC,0,GDB ChEMBL
314935,CCCC(N)(C#N)COC(=N)NC=O,1,GDB ChEMBL
273946,CC#Cc1nc(O)cc(Cl)c1N,1,GDB ChEMBL
284381,C#CCCC(CC)C1C(CC(C)C)C1(C)C,0,GDB ChEMBL
379132,Ic1cc2ccc1NCC=CC#CC2,1,GDB ChEMBL
321388,CC1CC(C(C)CO)C=CC1O,0,GDB ChEMBL
115995,CCC12CC(OC1=O)C(C)[NH+](C)C2,0,GDB ChEMBL
41647,[NH3+]C1CC1Cc1cccnc1,0,GDB ChEMBL
182917,NC=[NH+]C(CO)C(N)CC(N)=O,0,GDB ChEMBL
227643,C#Cc1cc(CC)c(C2CCCC2)cc1CC,1,GDB ChEMBL
386655,[NH3+]C1COC(C2[NH2+]C(CC(=O)[O-])C2O)C1,0,GDB ChEMBL
290274,CCOC1(C(=O)[O-])CN(C=O)C1=N,0,GDB ChEMBL
222912,CCC(C)C1(C)CCC(=O)c2ccsc2CO1,1,GDB ChEMBL
70110,CC(O)C(N)(C[NH3+])C(=O)NCCO,0,GDB ChEMBL
328935,CN1CC2OC(=N)C(C(CO)C2[NH3+])C1C(N)=O,0,GDB ChEMBL
46013,CCC1([NH3+])CC1C(O)CC1CCCC(C)C1,0,GDB ChEMBL
36173,Cn1cncc1C1(CO)CC=CCC1,0,GDB ChEMBL
40339,CCC(C)c1cc(C)n(C(C)=O)c1CO,1,GDB ChEMBL
160382,Cn1cc2c(C#N)c([N+](=O)[O-])c(N)nc2n1,1,GDB ChEMBL
354363,CCNc1nc(C[NH2+]C(C)C)sc1CC(N)=O,0,GDB ChEMBL
147576,C#CC[NH2+]C1C2C(C)CC([NH3+])CC12CC,0,GDB ChEMBL
3831,C#CC(C(C)C)C(C=O)CCc1ccccc1,1,GDB ChEMBL
45966,C#CCC(C=CCC)C(C)CC=C,0,GDB ChEMBL
299577,C#CC1C2N(CC)CC([NH3+])C(C)CC12O,0,GDB ChEMBL
203148,C#CC1OCC12CC1CC(CC[NH2+]2)NC1=O,0,GDB ChEMBL
223489,CCC1CCC=C(C2CC3CC3C2)C1,1,GDB ChEMBL
299589,CC(=O)CN1C(C(F)(F)F)CCC12CC2,1,GDB ChEMBL
301428,CCC(C#N)c1cn(C2C[NH2+]C2)nn1,0,GDB ChEMBL
187185,COC1C2CC([NH3+])C1NS(=O)(=O)CC2O,0,GDB ChEMBL
304887,CC(C)C[NH+](C)CCC#CC1(C)CN1,0,GDB ChEMBL
209420,CNc1cc(OCCC#N)ncc(C[NH3+])c1=O,0,GDB ChEMBL
29256,CC1CCC2([NH3+])CN3CC(O)COC1C32,0,GDB ChEMBL
8650,CCC1NCCc2cnn(C)c2C1=O,1,GDB ChEMBL
118357,CCCC1(C)CC2C(C)C=CC1C2OC,1,GDB ChEMBL
337403,CCC(C)c1nc(NC(N)=[NH2+])cc(O)c1N,0,GDB ChEMBL
17610,COC1CN(C)CC(N)C2CCC1[NH2+]2,0,GDB ChEMBL
259517,CC1[NH2+]CC2(CC2)COC1=N,0,GDB ChEMBL
32008,CNC1C(=O)CN(C)CC=C1C#N,0,GDB ChEMBL
349479,NC1=[NH+]C(C(=O)[O-])C(O)C(O)C1C(=O)[O-],0,GDB ChEMBL
68606,Cn1c(N)c(NC(N)=[NH2+])c(O)nc1=O,0,GDB ChEMBL
234952,N#CCNC1=[NH+]C(C[NH3+])CCN1,0,GDB ChEMBL
156526,CC1(C)CC1(C)c1ccccc1Cl,1,GDB ChEMBL
20744,Fc1cc(CC[NH2+]C2CC2)c(F)cn1,0,GDB ChEMBL
365995,CCC(OC)C(O)C(O)C#N,1,GDB ChEMBL
286154,C#Cc1cc(C=O)ccc1CO,1,GDB ChEMBL
244674,CC1CC2CC(C)C(C)CC(C1)[NH+](C)C2,0,GDB ChEMBL
303936,COCC(C[NH3+])NC(CO)C(O)S(N)(=O)=O,0,GDB ChEMBL
120340,CC(C)CCC#CCc1ccccc1F,1,GDB ChEMBL
259444,C#CC1CCC[NH+](C)C2CC12,0,GDB ChEMBL
165964,C#CC1=CC(c2cc(Br)cc(Br)c2)CC1,1,GDB ChEMBL
139809,CC[NH2+]CCCCC1C2C[NH2+]C(C)CC12O,0,GDB ChEMBL
247190,CCC1CC(C(C)(C)C)C(C2CC2)CO1,0,GDB ChEMBL
83050,CCn1cnc(C)cnc(O)nc1N,0,GDB ChEMBL
40280,C=CC(CC1CC(CO)C1)OCC,1,GDB ChEMBL
215476,CC12CC3CCC1[NH2+]C3C2,0,GDB ChEMBL
309178,COCC1CC(CO)C(O)C(O)C1[NH3+],0,GDB ChEMBL
119295,CC1(O)CC2OC1C(C#N)(C(N)=O)C2O,0,GDB ChEMBL
317587,CCCC[NH+]1CCC(CC)C1,0,GDB ChEMBL
19667,COC1(C)C(C)[NH2+]C2(COC2)C1C(N)=O,0,GDB ChEMBL
261472,CC(C)CNc1nnc(N)c2c[nH]nc12,0,GDB ChEMBL
35725,CC([NH3+])C1C2CN2C1C(=O)[O-],0,GDB ChEMBL
191277,C#CCCC1CCCC1C(N)=O,1,GDB ChEMBL
205962,C[NH2+]CC12CC3C(C)CC(C(=O)O1)C32,0,GDB ChEMBL
98562,CCC1CC(C)C2C(C)CCCC2(C)C1,0,GDB ChEMBL
245857,CC[NH2+]C1CC(=O)N(CC#N)CC1C(N)=[NH2+],0,GDB ChEMBL
78310,C#Cc1c(O)ccc(C)c1I,1,GDB ChEMBL
354586,Cc1cc(I)ccc1C(C(F)(F)F)C(F)(F)F,1,GDB ChEMBL
239334,CCOC1C2CC1(O)C[NH2+]2,0,GDB ChEMBL
78616,C#CCC1CC2CC(C2)C[NH+](C)C1,0,GDB ChEMBL
60996,C#CCc1cc(C#CC(C)(C)C)ccc1I,1,GDB ChEMBL
271551,CC(=O)OC1C(O)C([NH3+])C(N)C1NC(N)=[NH2+],0,GDB ChEMBL
266504,COCC(C#N)(CN)CNC(C)=[NH+]C(C)C#N,0,GDB ChEMBL
246813,C#CC1(C)CCn2nncc2CCC[NH2+]C1C,0,GDB ChEMBL
217113,CC(=O)NC1CC2C3OC(=O)C1C23O,0,GDB ChEMBL
259383,CC1CCOCC=CNC(=O)C1,0,GDB ChEMBL
285569,COC1CC(C)C2C3CCCC132,0,GDB ChEMBL
259451,COCCC12C[NH2+]C(CC=CC1(C)[NH3+])C2,0,GDB ChEMBL
314124,Cc1scnc1OCCNCC(C#N)C(N)=O,1,GDB ChEMBL
129780,COC1CCOCC(O)CC(N2CC2)C1[NH3+],0,GDB ChEMBL
279264,CCC[NH+]1CC2CC(C2=O)C(C)(C)C1C,0,GDB ChEMBL
280005,NC(=[NH2+])NCC1C([NH3+])C1(O)C(O)C(=O)[O-],0,GDB ChEMBL
255441,CNc1nc(C[NH3+])c(N)c([NH+]=C(N)N)n1,0,GDB ChEMBL
105984,CC1CC([NH3+])CC1C(O)CO,0,GDB ChEMBL
171308,COCC1CC12CC=CC(O)C2,0,GDB ChEMBL
83017,CC1(C)CC1Cc1c[nH]cn1,1,GDB ChEMBL
387261,CC1OC2C(C1O)C21CC[NH2+]C1,0,GDB ChEMBL
281160,CCC1C(C)CCC2CCC(C)C3(CC3)C21,1,GDB ChEMBL
61819,N#CC1C(S(N)(=O)=O)OC(=O)C2CN1C2,0,GDB ChEMBL
73257,C#CCC1c2cc(Br)ccc2C(C)C2CC12,0,GDB ChEMBL
343964,CC(C)N1CC(C[NH3+])CS1(=O)=O,1,GDB ChEMBL
246967,CCC1C2CC(NC2=O)C1[NH3+],0,GDB ChEMBL
155113,COC1CC2CC2C(C)=CC1C,0,GDB ChEMBL
248855,Cc1n[nH]c(N)c1C(=O)NCCCOCCO,1,GDB ChEMBL
26044,CCC1(C2CC(CCO)C2)CO1,0,GDB ChEMBL
390094,CC1(O)CCOC(C)(C)C1C#N,1,GDB ChEMBL
246780,CC1C(=O)C[NH2+]C1CC(=O)[O-],1,GDB ChEMBL
160001,CCCC(C#N)NC1(CC=O)CC1CO,1,GDB ChEMBL
298977,CC(CC#N)C(COS(N)(=O)=O)NC=O,1,GDB ChEMBL
274258,Cn1cnc2sc(C(=N)N)c(C#N)c21,1,GDB ChEMBL
252279,CCC12C[NH+](C)C(C)C(C)C1C2C,0,GDB ChEMBL
258002,CCCCC12CCC(=CCCC(C)C1)C2,1,GDB ChEMBL
215492,COC1CC(C)(O)CC1OC(=O)C=O,1,GDB ChEMBL
230482,CC(=O)OC(C(=O)[O-])C1(O)C[NH2+]C(CO)C1,0,GDB ChEMBL
235638,CC1=CCCCCCC2(C)[NH2+]C(C)CC12,0,GDB ChEMBL
85832,CC1C[NH2+]CC(NCC(C)(C)O)C1CC=O,0,GDB ChEMBL
336021,[NH3+]C1CCC2(CO)CNC(=O)C2(CO)C1O,0,GDB ChEMBL
298942,C[NH2+]CCCOC1CC1CC1CC1,0,GDB ChEMBL
60666,CC(CC1=CCCC(C(=O)[O-])C=C1)C1CC1,0,GDB ChEMBL
121518,CCCC1C2CCC(C(C)C2)C1OC,0,GDB ChEMBL
227766,CNc1c(Cl)ccc2noc(C)c12,1,GDB ChEMBL
64108,NC(=O)Nc1csc(C(=O)CO)n1,1,GDB ChEMBL
111544,C=CC1=[NH+]C(C=O)CN1CCC#N,0,GDB ChEMBL
300911,CCC(C[NH2+]C)C(OC)C1=CC2CC2C1O,0,GDB ChEMBL
135378,C1=CCC(c2nccs2)CC1,1,GDB ChEMBL
194748,COCCNc1c[nH]c(C=O)c1,1,GDB ChEMBL
355333,CCC1C=CC(CCC(C)C)CCC1,0,GDB ChEMBL
393976,CS(=O)(=O)NC1CCN(C=O)C(C[NH3+])C1N,0,GDB ChEMBL
151189,C#CCC[NH+](C)CC(C=O)CC(CC)CCO,0,GDB ChEMBL
13801,CCCCC1(CCC)CC(C)CC2CC21,0,GDB ChEMBL
316455,C=CC1C2CC[NH+](C(C)COC)C12,0,GDB ChEMBL
129416,CCC(C)C(C#CCC(F)(F)F)C(C)O,1,GDB ChEMBL
379894,CCC(C)[NH+](C)C(C)COC,0,GDB ChEMBL
225812,C#CCC(CNC(=[NH2+])NC)S(=O)(=O)CC,0,GDB ChEMBL
179297,C#CCC(=O)c1cc(N)n(CC)c1OC,1,GDB ChEMBL
25246,CNC1=[NH+]CCC2COC(=O)C12,0,GDB ChEMBL
17492,Cc1cc(C)c2c(c1I)C(=O)CCC2,1,GDB ChEMBL
390078,CCc1cc(CC(F)(F)F)c(Br)c(C(C)C)c1,1,GDB ChEMBL
204417,C[NH2+]C1CNC(=O)C(OC)CC1O,0,GDB ChEMBL
24016,C=CN1C(=O)C(=O)CC1C(=O)NC,0,GDB ChEMBL
398181,C#CC(=O)NC1CC=CCC1,1,GDB ChEMBL
305608,CCCCC1(C)C2C(=O)C1C(C(C)O)C2C,0,GDB ChEMBL
353265,CC12N=C(N)OC1C2C#Cc1ccsc1,0,GDB ChEMBL
90286,COCC1(C)CC=CC=C(C)C[NH+]1C,0,GDB ChEMBL
80286,C[NH2+]C1CNC2C(CO)OC(C)C12,0,GDB ChEMBL
47562,CC(CC1C2C(CO)COS(=O)(=O)N12)C(=O)[O-],0,GDB ChEMBL
161040,Cn1cccc(Nc2ncnc(=N)s2)c1=O,0,GDB ChEMBL
193280,O=C([O-])C1C(=O)[N-]S(=O)(=O)CC1CO,0,GDB ChEMBL
174902,CC[NH2+]C1CC2C=CC1(CC)C(C)C2,0,GDB ChEMBL
54842,Cc1cc(COC=NCCCO)n(C)n1,1,GDB ChEMBL
111550,CC1(C(=O)[O-])C(O)CC2COC1C2[NH3+],0,GDB ChEMBL
296614,CCc1cncc(C(C)(C)C2CC2)c1,1,GDB ChEMBL
280425,C#CC(C)(c1ccc(F)cc1N)N1CC1,0,GDB ChEMBL
263956,CCC1COc2cc(C)sc2CC[NH2+]1,0,GDB ChEMBL
217106,CC1C2CC=CCC1COC2,0,GDB ChEMBL
141837,CCCn1cc(N)c2cc(Cl)nc(O)c21,1,GDB ChEMBL
64651,O=C1NC2CC(CCNS(=O)(=O)C2)OCO1,0,GDB ChEMBL
228876,C#CCC([NH3+])CC(C(C)C)C(C)CC,0,GDB ChEMBL
111538,N#CCNS(=O)(=O)CC(C(N)=[NH2+])C(N)=O,0,GDB ChEMBL
24289,COC1CNCC(N)(C(N)=O)C(O)C1[NH3+],0,GDB ChEMBL
252083,CC([NH3+])CNCC([NH3+])CCC1CC([NH3+])CC[NH2+]1,0,GDB ChEMBL
160874,CCC1C=CC(=O)C(O)CC[NH2+]1,0,GDB ChEMBL
266483,NC(=O)CCC(=O)CCOCc1cnc(N)s1,1,GDB ChEMBL
140316,CCNC1=NC(C[NH3+])(C(=O)[O-])CN1C(N)=O,0,GDB ChEMBL
196707,C[NH2+]C1C(C(N)=O)NC1C(=O)C(=O)[O-],0,GDB ChEMBL
81053,CNC(=O)N1C(=N)CC1C[NH3+],0,GDB ChEMBL
268167,C#CCCC1Cc2ccc(Br)cc2C[NH2+]1,0,GDB ChEMBL
195559,CCC(O)C(C(=O)[O-])C1(C)OC(=O)C(O)C1[NH3+],0,GDB ChEMBL
274346,CC1C(=O)COC1Cc1cncc(I)c1,1,GDB ChEMBL
259691,CC1C(=O)OC(COC(=N)NC=O)C1O,0,GDB ChEMBL
305616,NC(=O)OCCC(N)C([NH3+])(CO)CO,0,GDB ChEMBL
229481,COC(C(O)CC(C)[NH3+])C(OC)S(N)(=O)=O,0,GDB ChEMBL
76977,CNC(=O)Nc1nc(C[NH3+])n2ccc(N)c2n1,0,GDB ChEMBL
271083,C[NH2+]CC1NC12CC(C)CC(O)C2,0,GDB ChEMBL
339997,CCC1C2C[NH+](C)CC1N2c1cncnc1,0,GDB ChEMBL
339231,CCCC12CCC(C)C(CC)C1CCC2CC,0,GDB ChEMBL
259610,[NH3+]C1C=CCC([NH2+]CC(=O)[O-])COC1,0,GDB ChEMBL
104477,CCC1(C)CC2CC1C1CCC[NH2+]C1C2(C)C,0,GDB ChEMBL
338849,CC(C[NH3+])C1CC=CCC([NH3+])C1,0,GDB ChEMBL
225476,CC1C=CC(CCO)([NH+](C)C)C1O,0,GDB ChEMBL
2349,COCCCC1[NH2+]C2CNC1C2C#N,0,GDB ChEMBL
12725,NC(=O)N1CC(O)(CCCCO)CC1=O,1,GDB ChEMBL
307959,CCOC(CCC(O)CC(N)C#N)C(N)=[NH2+],0,GDB ChEMBL
177335,CC[NH2+]C1CCC(C#N)C1(O)CC(=O)CCO,0,GDB ChEMBL
194414,CC(C)C1(C)CC2CCC(C1C#N)[NH+]2C,0,GDB ChEMBL
252657,CN1CCn2c(N)cnc2COC1=O,1,GDB ChEMBL
322816,C[NH2+]C12CN(CCC1C(C)(CC#N)OC)C2,0,GDB ChEMBL
319301,C=CCC1C2CC([NH2+]C)C(C2)C1C,0,GDB ChEMBL
305059,CC1CC(C)C(C)(CO)C2CC1C(=O)O2,0,GDB ChEMBL
76504,CCCOC(C)C1C([NH3+])C2CC2C1CCC,0,GDB ChEMBL
286843,CCc1ncc(I)cc1C,1,GDB ChEMBL
287350,CN1C(=O)C(C(=O)[O-])C2OCC(O)C21,0,GDB ChEMBL
397051,CC([NH3+])C1COC2C(O)C[NH2+]C12,0,GDB ChEMBL
368221,CCC1CC(C)CCC(C)N(C)C1C(F)(F)F,1,GDB ChEMBL
172360,C#CCC1CCCCCOCc2cccc1c2,0,GDB ChEMBL
121997,CCOC1CNC(=O)C12CS(=O)(=O)C2,1,GDB ChEMBL
350655,CCC1CC(C)(CC)C2CC[NH+]12,0,GDB ChEMBL
280995,CCC1CCC(C)C2CCC(C)C2(C)CC1O,0,GDB ChEMBL
16494,CCC1C(=O)N(C(=N)N)C2C(O)(CO)C12O,0,GDB ChEMBL
338147,CCc1cnc(C)cc1C#CCC[NH3+],0,GDB ChEMBL
55546,OC1CN(C=[NH+]CC(O)c2ccccc2)C1,0,GDB ChEMBL
142333,C#CC1CC(O)(CCC)CCC[NH2+]1,0,GDB ChEMBL
353270,Cc1ccc2c(c1C)CC=C(C1CCO1)C2,0,GDB ChEMBL
325236,CCOC(C=O)CC(CCCC(=O)[O-])=NO,0,GDB ChEMBL
288605,O=CCc1ccoc1CNCC(F)(F)F,1,GDB ChEMBL
185982,COC(=O)C1C(C)[NH+]=C(N)C(O)C1NCC#N,0,GDB ChEMBL
239114,COC(=O)C1CC(C)[NH2+]CC1(O)C=O,0,GDB ChEMBL
115288,CCC(O)C(C[NH2+]C)S(N)(=O)=O,0,GDB ChEMBL
324027,CC[NH2+]CC1C(C[NH3+])C1C[NH3+],0,GDB ChEMBL
165641,COC(=O)N(C)CS(=O)(=O)NC(=N)N,1,GDB ChEMBL
128318,N=C1CN(C=O)CC(N)C(=O)N1,0,GDB ChEMBL
78662,CC1CN2CC2(C2COCC[NH2+]2)C1,0,GDB ChEMBL
298065,NC(Cc1cnc[nH]1)=[NH+]CC1OCCCC1O,0,GDB ChEMBL
111530,CC1CC(=N)OC12CC(C(O)C(N)=O)[NH+](C)C2,0,GDB ChEMBL
173731,C[NH2+]CC1C(=O)NCC(O)C([NH3+])C1C(N)C[NH3+],0,GDB ChEMBL
180786,C=CCC(C)C1[NH2+]CC(C)C2CC21,0,GDB ChEMBL
284328,CCc1ncn2nc(C)cc(COC)c12,0,GDB ChEMBL
3945,CC#CC1C(=O)OC(C)C(C)CCC1CC,0,GDB ChEMBL
24507,CCC(CC)CCCCCCCCCCOC,1,GDB ChEMBL
389497,CC1CCC(N)(C[NH+](C)C)C#CCOC1,0,GDB ChEMBL
29023,C#CCCCN(C)c1c(C)c(C)cc(Br)c1C,1,GDB ChEMBL
71471,NC(N)=[NH+]CCC1(O)CC=CC1=O,0,GDB ChEMBL
18667,CCOC(C)C1(C(CC(N)=[NH2+])[NH2+]C)CCCC1,0,GDB ChEMBL
289401,CN(C=O)C1(CO)CCC1,1,GDB ChEMBL
264025,CC1(C)C2=CCC(O)C([NH3+])C2CC1O,0,GDB ChEMBL
292317,CCCCC1(CC)CC(CC)(CCC)C1,0,GDB ChEMBL
310118,NC(=[NH2+])COc1cccc(F)n1,1,GDB ChEMBL
124162,CCCC1CC=CCC(CC)C2C(CC)C12,0,GDB ChEMBL
276321,CC1C[NH2+]C2CCC(C3CC[NH2+]C3)C12,0,GDB ChEMBL
346831,COC(=O)CC1(O)C2OCC(C)CC(O)C21,0,GDB ChEMBL
235937,COCCCC(=O)N(CCOC=N)C(N)=O,1,GDB ChEMBL
53879,C[NH2+]CC1CC(C#N)C(C(C)C)N1,0,GDB ChEMBL
317968,CCC1C(=O)OC1C(=N[O-])C(=O)N(C)C,0,GDB ChEMBL
345372,[NH3+]CCn1c2c(ncc1=O)CCC2,0,GDB ChEMBL
141896,C#CC1C2CC(CC2C(C)CC)[NH+](C)C1C,0,GDB ChEMBL
176522,C=CC(=CC#N)C([NH3+])CNC(N)=O,0,GDB ChEMBL
81757,C#CC1(CN(C)C)[NH2+]C(CCC)C1C,0,GDB ChEMBL
188138,CCc1c(COC)c(C)c2n1C(C)(C)CCN2,0,GDB ChEMBL
17477,CNC(=O)NC(C)C1CC1OS(N)(=O)=O,1,GDB ChEMBL
118348,CCc1snc(C(=O)OC)c1C=O,1,GDB ChEMBL
201117,C#CCc1cc(C(C)(C)[NH2+]CC)ccn1,0,GDB ChEMBL
94858,CCNc1c(O)nc(C)c2c1CN(C(N)=[NH2+])C2,0,GDB ChEMBL
348695,CNC(=O)NC(NC)=[NH+]C,0,GDB ChEMBL
92304,COCC1CCC2C[NH+](C)C12,0,GDB ChEMBL
41171,CC(O)CN(C)S(=O)(=O)c1nscc1[O-],0,GDB ChEMBL
225852,CC1CC(C2CO2)CC1N(C=N)C(=O)C[NH3+],0,GDB ChEMBL
81033,Cc1c(F)ccc2c1C(C)C(C)CC1CC21,0,GDB ChEMBL
149347,N#CC1C2CC3COC2CN31,0,GDB ChEMBL
167338,CC1(C)C2CCC1(C)C([NH3+])C2,1,GDB ChEMBL
203845,COC(=O)N(C)CC1NC(CO)C1=O,0,GDB ChEMBL
289231,NC(=[NH2+])CC(C=O)OCC(=O)[O-],0,GDB ChEMBL
386459,C#Cc1c(C)ccn1CC1(CO)CC(C)C1,1,GDB ChEMBL
826,CNc1cc(Br)c2c(Br)ccc(C(C)C)c2c1,1,GDB ChEMBL
147400,O=C(NCCO)C1C2COS(=O)(=O)N21,0,GDB ChEMBL
33888,C#CCCCC#CCc1ccccc1,1,GDB ChEMBL
367781,CCCC1C=C(CC)CC12CCCC2,1,GDB ChEMBL
312205,C#CC1CC(C(C)CCO)C2CN12,0,GDB ChEMBL
104605,CC1(C)CC12CCCC[NH+]1CCC2C1,0,GDB ChEMBL
76456,CC[NH2+]C1COCC=C1C(N)=O,0,GDB ChEMBL
245809,CCC1COC1(C(=O)[O-])C(O)CS(=O)(=O)[O-],0,GDB ChEMBL
210965,C[NH2+]C1CCC(C)C1CNC(N)=O,0,GDB ChEMBL
247374,CCC12CCCCCC1CCCC2C,0,GDB ChEMBL
391314,CCOCCn1cnc(C(C)(C)C#N)c1,1,GDB ChEMBL
345827,CC1(C(O)(C[NH3+])C2CC([NH3+])C(O)C2)CO1,0,GDB ChEMBL
179130,CCC1CCC2C3CC3(CC[NH3+])CC[NH+]2C1,0,GDB ChEMBL
235664,CCCc1cc(NC)c(C(C)(C)O)n1C(C)C,1,GDB ChEMBL
379685,CC1CC(C)N=C(CO)OC(C(=O)[O-])C1,0,GDB ChEMBL
387337,CC1[NH2+]C(C(O)C(O)C[NH3+])CC1N,0,GDB ChEMBL
308216,CC1C=C2CC1=CC=Cc1ccc(cc1)C2,0,GDB ChEMBL
379357,CC[NH2+]C1COc2n[nH]c(CN(C)C)c2C1,0,GDB ChEMBL
238590,OCCCCC1(C2C[NH2+]C2)CCC[NH2+]1,0,GDB ChEMBL
303362,N#CC(N)C1CCCc2nccn2C1C(N)=O,0,GDB ChEMBL
321419,COC12CNC1C2([NH3+])C(=O)[O-],0,GDB ChEMBL
167290,CC1=CCOC1C1C[NH2+]CCO1,0,GDB ChEMBL
108736,N=C(N)N(C=O)C(C[NH3+])CS(N)(=O)=O,1,GDB ChEMBL
210400,CC1=CCC2(C)CC(C)CC2(C)CC1,0,GDB ChEMBL
294490,Cc1ccc(C(C)[NH3+])c(Cl)c1Cl,1,GDB ChEMBL
115150,COC(CC[NH3+])C(C)C(C)S(=O)(=O)[O-],0,GDB ChEMBL
360975,NS(=O)(=O)CCNCC1C([NH3+])C2OC2C1O,0,GDB ChEMBL
269357,C#CC(CC)c1cc(CCC)cc(I)c1CC,0,GDB ChEMBL
294775,[NH3+]C1C(O)CN=C2OCC2C1C(=O)[O-],0,GDB ChEMBL
70159,CCC(CC1=CCC=CCC1)[NH+](C)C,0,GDB ChEMBL
399007,CC1CCC2CCCCC(CC1)C2,0,GDB ChEMBL
389039,Cc1cnc(N)[nH]cc(O)c(N)c1,0,GDB ChEMBL
383925,Cc1cccc(Cl)c1CCCC(C)[NH+](C)C,0,GDB ChEMBL
120853,CCOCC(C)(CC)C1C=CCCC1=O,0,GDB ChEMBL
353995,O=C(Cn1nccc1[O-])NC(=O)C(=O)[O-],0,GDB ChEMBL
45017,COCC1[NH2+]CC1CC=O,1,GDB ChEMBL
23449,[NH3+]C(CCCO)c1cocn1,0,GDB ChEMBL
111937,N#CC1C(O)C2NC(=O)OC2C1O,1,GDB ChEMBL
111516,Cc1coc(OCc2cc(O)cc(F)c2)n1,1,GDB ChEMBL
172765,Clc1ccc2c(c1Cl)C1(CC1)c1cccn1-2,0,GDB ChEMBL
304447,CCC1CC2N(C)C2(C)C(=O)O1,0,GDB ChEMBL
203188,CC(C)C[NH+]1CC2CC(C)(C2)C(C#N)C1C,0,GDB ChEMBL
242926,COC(=O)C1NC2CC2C1=NO,0,GDB ChEMBL
344294,N#CC12C(=O)[N-]C(C3COC1(CO)C3)C2O,0,GDB ChEMBL
320810,O=C([O-])C1OC12CCCC2,1,GDB ChEMBL
298034,CCCC(CC#CC(C)(C)C)C1CC1,1,GDB ChEMBL
77299,CCC[NH2+]C1C(N)C1CO,0,GDB ChEMBL
124805,CC(C1C[NH2+]1)C(C(N)=O)C(N)=O,0,GDB ChEMBL
263975,CC(C)NC(C(N)=O)c1ccno1,1,GDB ChEMBL
294748,CC#Cc1cc(CO)ccc1C1CC=CC1,1,GDB ChEMBL
118445,C#CC(CC)c1ccc(C(C)C(C)C)cc1F,1,GDB ChEMBL
50990,CC[NH2+]CCCOC1CN2C1CCS2(=O)=O,0,GDB ChEMBL
156055,CCC1(CC)CC[NH2+]C1,0,GDB ChEMBL
216546,CCC1C2CC(CO)OC2=NCCC(C)C1[NH3+],0,GDB ChEMBL
50126,CC1=CCC2C=CCCCC2C2(CC1)CC2,0,GDB ChEMBL
265485,CCNC(=O)[N-]S(=O)(=O)c1scc([O-])c1N,0,GDB ChEMBL
87125,C1=CCC2C3C[NH+](C3)C2CC1,0,GDB ChEMBL
202018,COC1(C)C2CNC(C(N)=O)C1(C)C2[NH3+],0,GDB ChEMBL
130204,CN1C(=O)CC(=O)C2C(C[NH+](C)C)C21C,0,GDB ChEMBL
215386,CCN1CC2([NH3+])CC(C)C1(C)C2OC(N)=O,0,GDB ChEMBL
235187,C[NH+]1CC2CC2C1C(N)=O,1,GDB ChEMBL
339020,CC(C)CCCC(C(C)C)C1(C)CCC(C)C1,0,GDB ChEMBL
115740,C#Cc1c(OC)cnn1CC,1,GDB ChEMBL
118851,CC1CC2(C)C(CCO)C1CC2C(C)([NH3+])C[NH3+],0,GDB ChEMBL
362193,CCC1C(O)CCC2C[NH+]=C(N)C21,0,GDB ChEMBL
157105,CC1CC(C)[NH+]2CC(C)(CC2C)C(CC[NH3+])O1,0,GDB ChEMBL
299584,CCC(C)n1ccc(CCCC(C)C)c1,1,GDB ChEMBL
142348,C#CCCCC(C)CC#CC#CCCCC,1,GDB ChEMBL
297221,CC([NH3+])C1CNc2ncc(Br)nc2C(=O)N1,0,GDB ChEMBL
215335,CCCC(CO)S(=O)(=O)NC(=N)C(C)C,1,GDB ChEMBL
79529,C#CCCC1=CC(C)(CCC[NH+](C)C)CC1,0,GDB ChEMBL
268188,Cc1cccc(C2CC2)c1CC=O,1,GDB ChEMBL
391476,CN1C(N)=[NH+]CC2CC(C(O)C[NH3+])C1CC[NH2+]2,0,GDB ChEMBL
190045,CCC(C)C(C)(CC)c1cc(C)c(Cl)cc1C,1,GDB ChEMBL
144541,CCCC1OCC1OC,1,GDB ChEMBL
26033,CC(C)c1ccc(C#N)cc1F,1,GDB ChEMBL
34411,O=C1NC2C3CCC=CC2C1O3,0,GDB ChEMBL
130454,CCCC1[NH2+]CC1CC1CC1,0,GDB ChEMBL
99118,CCOc1ncsc1C([NH3+])CO,0,GDB ChEMBL
290536,COC1(C2CN2C(=O)C(C)[NH3+])CC1C,0,GDB ChEMBL
360813,O=C([O-])C[NH+]=CN1CC2(CCC(O)C2)C1,0,GDB ChEMBL
286146,CCNC(=O)NC(CCC(=O)[O-])=NCC#N,0,GDB ChEMBL
354017,COC1C(O)C(NC(N)=O)C1C([NH3+])C(N)=O,0,GDB ChEMBL
255442,CN1CCC2(C(N)=[NH2+])C(N)C(O)C2C1=O,0,GDB ChEMBL
330527,CC1=CC2([NH3+])CC2CCOc2ncccc21,0,GDB ChEMBL
236529,CC(=O)Nc1cc(O)cc(F)n1,1,GDB ChEMBL
98642,COCC1([NH3+])CC(C)CNC1C(O)C#N,0,GDB ChEMBL
184070,C[NH2+]CCC1(C[NH2+]CC(=O)C(C)C)CC1,0,GDB ChEMBL
393528,Cc1ccoc(C)nc2c(C)c(Cl)ccc2n1,0,GDB ChEMBL
385659,O=C1CC2C(O)C3OC(=O)NC3C2O1,0,GDB ChEMBL
84493,CCC(CC)OC(C)C1CC2CCCC1CC2,1,GDB ChEMBL
13122,CC1=CC(=O)CCCCC1C1(C)CC1,0,GDB ChEMBL
372137,CC#CCC1CC2CCCC(C)C2C1,1,GDB ChEMBL
48535,CCOc1cnc(CO)c(=O)c([O-])c1C=O,0,GDB ChEMBL
244675,CCC(NC=O)C1CNC(=[NH2+])O1,0,GDB ChEMBL
338979,CN1C(=[NH2+])NCC(N)C(O)C12COC2,0,GDB ChEMBL
328850,CN1CCc2c(I)cc3c(c21)CCC3,1,GDB ChEMBL
392249,CC(C)[NH2+]C1C=C(CC#N)CCOC1,0,GDB ChEMBL
3815,CC(CO)Oc1cnc([NH+]=C(N)N)nc1N,0,GDB ChEMBL
156726,CC(O)C(C=O)CC1CCC(C)(C)C[NH2+]1,0,GDB ChEMBL
119987,CC[NH+]1CC=CC1C(C)CC[NH3+],0,GDB ChEMBL
306272,CC(=N)NC(=O)CC1=[NH+]CCN1,1,GDB ChEMBL
127916,CC1C[NH+]2CC3C(C2)C3(C)N1,0,GDB ChEMBL
202829,CC1COCC1C(C[NH3+])C(C)NC(C#N)CO,0,GDB ChEMBL
210200,CNC(=[NH2+])CCNC(C)C#N,1,GDB ChEMBL
303305,C#CC1=CC(c2c(C)cccc2Br)C2CC12,0,GDB ChEMBL
240410,CCCC1=CCC2CCCCC2CC1CC,1,GDB ChEMBL
31994,CN1CC(C(=O)[O-])NC2C([N-]S2(=O)=O)C1=O,0,GDB ChEMBL
343948,CC1Cn2cncc2C(C#N)OC1=O,1,GDB ChEMBL
127283,C#Cc1cncc(CCOC2CC2)n1,1,GDB ChEMBL
99554,C[NH2+]CC#CC1CC([NH3+])CO1,0,GDB ChEMBL
300931,Nc1cc(NC(=O)NC=O)c(Cl)nc1N,1,GDB ChEMBL
288942,Clc1ncnc2ccsc12,1,GDB ChEMBL
305477,C=CCC(C)C(C)CCCOCC,1,GDB ChEMBL
132842,CC(C)CC1(C)C2C=CC(C)C1CC2C,0,GDB ChEMBL
2369,CC(=O)NC(C(N)=O)C(C)S(N)(=O)=O,0,GDB ChEMBL
207410,CCC1(C#N)C(C)C(=O)C1(C)C[NH+](C)C,0,GDB ChEMBL
202836,Cc1cc(F)c(C(C)(O)c2ccco2)cc1C,1,GDB ChEMBL
37292,CCC1(C)CC(C)C(O)C2OC21C(=O)[O-],0,GDB ChEMBL
227581,CC(C=O)NC(=[NH2+])OCC(=O)[O-],1,GDB ChEMBL
41146,Cc1cc(Br)nc2ccccc12,1,GDB ChEMBL
107004,CCC1C=CC(COC)C(C)C1O,0,GDB ChEMBL
261361,C#CCC(C)(C)c1cc(F)cc(CCC)c1,1,GDB ChEMBL
173969,CC(=O)CC(C)Nc1c(C)c[nH+]c(N)c1I,0,GDB ChEMBL
290130,C#CCC(CC)C1C2CN(C(C)=O)C1C(C)O2,0,GDB ChEMBL
269331,CC1CC2OCC1C2[NH+](C)C,0,GDB ChEMBL
80299,NC1C[NH2+]CC1c1c[nH]cn1,0,GDB ChEMBL
70139,CC(C1CC[NH2+]1)C1OCCC1C#N,0,GDB ChEMBL
303867,CCC[NH2+]CCc1c(N)ccc(CO)c1Cl,0,GDB ChEMBL
119913,CCCCC1(O)CC(OC)C1,1,GDB ChEMBL
26464,[NH3+]C1CCNC(=O)C(=O)OC1,0,GDB ChEMBL
13882,CCC12CC3CC1CC3(C)OC2=O,0,GDB ChEMBL
337374,C[NH+]=C1NCC(O)C2C(C(N)=O)OC(=N)N12,0,GDB ChEMBL
131896,Brc1cccc2c1C=CC1(CC=CC1)C2,0,GDB ChEMBL
378300,CC1=CC(C(C)CC2(C)CCCC2)CC1,0,GDB ChEMBL
76683,C#CC1CCC(C)CC1[NH+]1C2CCC1COC2,0,GDB ChEMBL
70180,NC(=[NH2+])NCC12CC(=O)[N-]S(=O)(=O)C1C2C[NH3+],0,GDB ChEMBL
214860,CCc1c(CC#N)ccc2c1CC1CC2C1,0,GDB ChEMBL
352634,C#Cc1cc(Br)cc(C(C)(C)CC(C)(C)O)c1,1,GDB ChEMBL
18889,CC(O)C(C)C[NH2+]C(C)C1Cc2c[nH]cc2C1,0,GDB ChEMBL
130399,CCC1CC2CCC(C)(C2)C2CCCCC1[NH2+]2,0,GDB ChEMBL
320750,C=CC(C[NH2+]C)CC(C[NH3+])COC,0,GDB ChEMBL
84229,N#Cc1ccscncc(N)c1,0,GDB ChEMBL
34709,COCC(=O)C1(O)CC1,1,GDB ChEMBL
203127,COC(C)C(NCCO)C1=NCS(=O)(=O)N1,0,GDB ChEMBL
10612,C#CC1CC2(C)OC2C(C[NH2+]C)C(=O)N1,0,GDB ChEMBL
280842,C[NH2+]C1C2OC2CC1N(C=O)CCC(C)O,0,GDB ChEMBL
225056,CCCN(CC1COC1)C(C)=O,1,GDB ChEMBL
2386,CCCCC1C=C2C([NH3+])C(O)C3C(C[NH2+]1)C23,0,GDB ChEMBL
375744,NC(=O)NC(=O)C(=O)NC1CC1(O)CO,1,GDB ChEMBL
312858,CCNC(=O)C1CC2C[NH+]2C1,0,GDB ChEMBL
22068,C=CCC(C)C1CCCC1C=CC,0,GDB ChEMBL
85663,CCc1cc(O)nc(O)sccn1,0,GDB ChEMBL
147873,CCc1snc(C(CCOC)OC(N)=O)c1[O-],0,GDB ChEMBL
203481,CCc1cc([O-])nc(CC(C)[NH3+])cc1=O,0,GDB ChEMBL
64657,NC(=O)N1C=NC(C[NH3+])C1C(=O)[O-],1,GDB ChEMBL
204199,COC1CC2OC(C(C)C)C1CC2[NH3+],0,GDB ChEMBL
22619,C#CC1=CCCC1C1CCOC1C,0,GDB ChEMBL
332424,COCCc1c(N)c(N)c(C)c(CO)c1N,0,GDB ChEMBL
268139,C#CC1C=Cc2cccc(C)c2C=C1,1,GDB ChEMBL
26939,CCCCC1C[NH+]2CC1(CC)C2,0,GDB ChEMBL
304858,CCC[NH2+]CCC(Cc1noc([O-])n1)[NH2+]CC,0,GDB ChEMBL
75873,CC1OC2CC2C2CC[NH2+]C1C2,0,GDB ChEMBL
156515,C[NH2+]CC(C)CC(C=O)C(=O)[N-]C(=N)C#N,0,GDB ChEMBL
328957,CCC1OC2C([NH3+])C23C1NC(=O)N3C,0,GDB ChEMBL
97193,C=C(C=CCCC1CC1)C(=O)OC,0,GDB ChEMBL
65896,CC(=O)NCCc1ccsc(=[NH2+])c1,0,GDB ChEMBL
49127,CCOC1CC=CC2(CC[NH2+]2)CC1,0,GDB ChEMBL
347949,CC(N)=[NH+]C(C)C[NH+](C)C,0,GDB ChEMBL
184922,[NH3+]CC12OC1C1NC(=O)C2C1([NH3+])CC(=O)[O-],0,GDB ChEMBL
301518,C[NH2+]Cc1occc(=N)c1OCCNC(N)=O,0,GDB ChEMBL
328833,NC(C[NH3+])C(=O)NC(=O)C(N)C(=O)[O-],0,GDB ChEMBL
79358,[NH3+]C1CNC2(C1)C(=O)NC(=O)C2O,0,GDB ChEMBL
77291,C#CCNCC(CO)[NH+]=C1NCCC1(C)C#N,0,GDB ChEMBL
66613,C=CC(=O)N1CC(=NO)C=CC1CO,1,GDB ChEMBL
47206,CCC#CCC(C[NH3+])C1(C#N)CCC1,0,GDB ChEMBL
202044,COC1(C)CNC(=O)C(N)C1C([NH3+])CO,0,GDB ChEMBL
88129,C#CC(C#C)(CC([NH3+])CNC=O)c1cccs1,0,GDB ChEMBL
178057,C[NH2+]C1CS(=O)(=O)NC(=N)OC(C)(C)C1O,0,GDB ChEMBL
163853,CCC([NH3+])C1C(O)C(CO)NC1S(N)(=O)=O,0,GDB ChEMBL
338312,CCOCC1CCC2(C)CCC(CC2)C1C,0,GDB ChEMBL
301179,CC#CC1(CC)CC(=O)N(C=O)C(C)C[NH2+]1,0,GDB ChEMBL
83064,N=C1NCC2C3C(C(=O)[O-])N3C(=O)N12,0,GDB ChEMBL
277997,CCCC1=C(CO)C([NH3+])CC1NS(C)(=O)=O,0,GDB ChEMBL
277774,CC(CC1CC=CCC1)CC(C)(C)C,1,GDB ChEMBL
168401,O=C([O-])COC1(c2cn[nH]c2)COC1,1,GDB ChEMBL
116349,COC1OCC([NH3+])C1C([NH3+])CN(C)C(N)=O,0,GDB ChEMBL
280730,CC1CC2C(=O)OC3C(O)C23NC(=O)N1,0,GDB ChEMBL
71678,CCC(CC)CCC(CC)C(F)(F)F,1,GDB ChEMBL
99688,COCCC1[NH2+]C2CC=CCC(C)C21,0,GDB ChEMBL
54839,COCC1(C)COC(C)C2CC(C)([NH3+])CC21,0,GDB ChEMBL
307596,Cc1cn(C)c(=O)c(I)c1NCC#N,1,GDB ChEMBL
281157,NC(=O)C12C(O)C[NH+]3CC1C2C3,0,GDB ChEMBL
305348,CN=C1OC(C(CO)[NH2+]C)C(O)C1(N)C(N)=O,0,GDB ChEMBL
275603,COC(=O)CN(C=O)C1=NC(C)C(N)C(=O)N1,0,GDB ChEMBL
307948,CCN(C)Cc1c(NC(=N)C#N)ccnc1I,1,GDB ChEMBL
225037,CC1CC2CCC[NH+]1C1CCC2(O)C1,0,GDB ChEMBL
362167,COC(C)=NC1CC(NC(N)=O)CC(O)C1[NH3+],0,GDB ChEMBL
394321,CC=CC(C)CCN1C=NCC1=O,1,GDB ChEMBL
392512,CCC(CC1(C)CC[NH2+]1)C(C)CC(C)C,0,GDB ChEMBL
283958,C[NH+](C)CCNS(=O)(=O)CO,1,GDB ChEMBL
34772,C#CCCN1CCCC(O)C(CC#C)C(=O)C1,0,GDB ChEMBL
220153,CCC1(CC)CC(C)=CCC(O)C=C(C)C1,0,GDB ChEMBL
261366,C1COC(CC2CC2)C2(C1)CC2,1,GDB ChEMBL
13816,CC1=CCCC1C(CC(C)C)CC1CCC1,0,GDB ChEMBL
77508,CC1CC1CC1C=CCCCC1C#N,0,GDB ChEMBL
93097,N#CC1OC(=O)NCC1O,1,GDB ChEMBL
351201,CCC#Cc1cc(Br)c(N)cc1C(C)C,1,GDB ChEMBL
386451,CC(C)OC(C1CC1)C(C)(C)O,1,GDB ChEMBL
338923,CC1(C)CCC2C(CCC3CC2(C)CCO3)C1,0,GDB ChEMBL
838,CN=C(OCC#N)c1ccc(Cl)cn1,1,GDB ChEMBL
92303,Fc1ccc2c3c1CC=C3C1(CC1)OCC2,0,GDB ChEMBL
375991,CCC1(C2C=CCC2O)COC1,1,GDB ChEMBL
221663,CN1CC(=NO)C2NC(=[NH2+])OCC2C1=O,0,GDB ChEMBL
140386,CC1=CC[NH2+]CCC(C(C)[NH3+])C1,0,GDB ChEMBL
78285,COC1CN(C)S(=O)(=O)CC1=O,1,GDB ChEMBL
347927,COCCC1OC1C(C)C(C)C,1,GDB ChEMBL
206825,C#CC1CC(C)C2[NH2+]CC(C(=O)OC)CC12,0,GDB ChEMBL
304164,CCCC(C)C(C)CCCC(C)C1CCCC1,0,GDB ChEMBL
209467,COC(=O)C12OCC(C)[NH2+]CC(CC1O)C2=O,0,GDB ChEMBL
336026,CCC=CC1CCC(C(C)C)[NH+]1C,0,GDB ChEMBL
330377,COC(C)(C)C1(CC2CCCC2(C)C)CC1,0,GDB ChEMBL
5865,CC(C)C(=O)N1C2C3CC2C31,0,GDB ChEMBL
35744,CCOc1cc(CC[NH3+])c(=O)cc(C)c1C,0,GDB ChEMBL
120882,CNc1cnc(C(N)C(C)[NH+](C)C)n(C)c1=O,0,GDB ChEMBL
48498,CN(CCC(O)C(N)=O)C1CN=C(N)C(=O)C1,0,GDB ChEMBL
367768,Cc1cc(Cl)c2cc1C(=[NH2+])N(C)C=NCCC2,0,GDB ChEMBL
126984,C#CC1CC2C(C)=CC1C(C)C2CCC[NH3+],0,GDB ChEMBL
387075,CCC(O)C1C2N(C)C(C)CC12C#N,0,GDB ChEMBL
305254,CCC1C2CC3CC1(C)CC3C[NH2+]2,0,GDB ChEMBL
274178,CCOCC(C)C(C)C1CC(C)(C)CC(C)O1,0,GDB ChEMBL
239327,C[NH2+]C(C)C1C(O)C1C(C)=O,0,GDB ChEMBL
203528,CCCCC1(C(CC)CC)C(C)C1C,0,GDB ChEMBL
209689,CC(CC#CC1(CCCO)CC1)C(F)(F)F,1,GDB ChEMBL
4804,NS(=O)(=O)OC1C(O)CC[NH2+]CC1O,0,GDB ChEMBL
103393,COC1CC2[NH2+]C(C)(C)C(C[NH3+])C2OC1(C)C,0,GDB ChEMBL
227577,CCCCC1CC12C=C(C)C[NH2+]2,0,GDB ChEMBL
137373,NC(=O)C(NC=O)C1CC([NH3+])C1O,0,GDB ChEMBL
212551,CC1C=CC(O)CC(C)(C)C2CC2C1,0,GDB ChEMBL
208367,CC1C[NH2+]C2C(=O)NC1C1NS(=O)(=O)CC21,0,GDB ChEMBL
84473,CN1C(=O)OCC2(COC2)C2CC21,0,GDB ChEMBL
150491,COC(=O)CC(O)CC1=C(C)CCCC1,1,GDB ChEMBL
50314,C#CCC1C(C)C=CC1OCCC,0,GDB ChEMBL
9946,CC(=O)OC(C#CC(O)C[NH3+])CO,0,GDB ChEMBL
203883,COC(C)C12C[NH2+]C1C2CO,0,GDB ChEMBL
77540,NC(=O)C1NC1C(O)CC=CC[NH3+],0,GDB ChEMBL
99864,CNC(=O)C1C[NH+](C)C1CC(C)=O,0,GDB ChEMBL
352629,[NH2+]=C1NCCCC([NH3+])C1CCS(=O)(=O)[O-],0,GDB ChEMBL
181378,CCCC(CC(C)C(C)C)C(C)C,0,GDB ChEMBL
234218,CCC1CCCCC2CCC(C)(CC)C(C1)C2,0,GDB ChEMBL
385440,CC(C)CCC1C=CC2CCCCC21,0,GDB ChEMBL
132541,CC(OC(N)=NCC(=O)[O-])S(N)(=O)=O,0,GDB ChEMBL
294489,CC(O)C([NH3+])C1OC(=N)COC1=O,0,GDB ChEMBL
121700,CC1CCNc2c(C(C)C)ccnc2C1,0,GDB ChEMBL
155060,CCC1(C(COC)OCC(CO)[NH2+]C)CC1,1,GDB ChEMBL
187244,CCC[NH2+]C1CCC=C(C)C1C1CC1OC,0,GDB ChEMBL
26577,C=CC(C[NH3+])C(CC)CC(=C)CC,0,GDB ChEMBL
240469,CC1CN(C(C[NH3+])C[NH3+])C1,0,GDB ChEMBL
302317,CCCc1nc(NC(C)=O)c(C)o1,1,GDB ChEMBL
84271,NC(=[NH2+])NC1C=CC(C(=O)[O-])C1[NH3+],0,GDB ChEMBL
280728,Nc1ncc2c(n1)CC1C(O)C[NH2+]C21,0,GDB ChEMBL
105133,C#CC1(C)CCC([NH3+])C(OC)C(O)C(=O)O1,0,GDB ChEMBL
28385,CCC1CCC2(CO)CC(O)C=CC12,0,GDB ChEMBL
278827,COCc1csc(C[NH3+])n1,0,GDB ChEMBL
330098,Cc1cc(I)c2nc(C=O)c(C(N)=[NH2+])cc2c1,0,GDB ChEMBL
84268,N=C1OC(=O)NCC(C(=O)[O-])C(O)C1O,0,GDB ChEMBL
348613,CC12C=CC(Cc3cccc(F)c3)C1C2,1,GDB ChEMBL
244666,CCCC1(C)CCCC=C1C(C)C,1,GDB ChEMBL
112487,CN=C(CC(C#N)CCS(N)(=O)=O)OC=O,0,GDB ChEMBL
160350,CC1CC2(NC=O)CCC[NH+]1CCC2CC#N,0,GDB ChEMBL
225838,CNC(=[NH2+])CC1=CCOC(C[NH3+])CC1,0,GDB ChEMBL
139790,CCC1C=CC2C1C(C)CCC2(C)C,0,GDB ChEMBL
315283,N#Cc1ncc(CC2CCCC2)nn1,0,GDB ChEMBL
254874,CCC(C)C1C([NH2+]CC=O)C1C(N)=O,0,GDB ChEMBL
223492,NC(=O)C1(O)CCC2([NH3+])CCCOC(=O)C1C2,0,GDB ChEMBL
324038,CS(=O)(=O)N1C=C2C(CCO)CC(=O)C2C1,0,GDB ChEMBL
177872,CC#Cc1cc(C)cc(C=O)c1O,1,GDB ChEMBL
107063,CC(C1CC1)C(C=O)[NH+]=C(N)N,0,GDB ChEMBL
318520,CCCCC(C)C#CCCC(C)C,1,GDB ChEMBL
126377,OC1C2C=CC1C1CCCC1O2,0,GDB ChEMBL
334430,CCC12CC(=[NH2+])NC(C(O)C1CC(=O)[O-])C2O,0,GDB ChEMBL
104612,CC1CC2CCCC(C)C(C2C[NH3+])C(C)(O)C1,0,GDB ChEMBL
236588,COC(C)(C)C(C)C(=O)C(C)C,1,GDB ChEMBL
234466,Cc1c(N)[nH+]c(CC2CC2)c(Cl)c1N,0,GDB ChEMBL
149375,CCC1CC2(O)C1OCC2(CO)CC(=O)[O-],0,GDB ChEMBL
390071,C=C1C(C#N)CCC1CCCCC,1,GDB ChEMBL
152616,CC(O)CNS(=O)(=O)COC(=O)CN,1,GDB ChEMBL
143519,OC1C[NH+]2C3CCC(C3)C2C1O,0,GDB ChEMBL
271804,COC(=O)CNS(=O)(=O)C(C)COC(C)=N,1,GDB ChEMBL
122900,CCOCC1CC=C(C=O)NC(=[NH2+])N1,0,GDB ChEMBL
377926,CCC1(CC)C2C=C(C)C1C([NH+](C)C)C2,0,GDB ChEMBL
19384,CCC(C)C1C2C[NH2+]CC(C[NH3+])OC21C,0,GDB ChEMBL
334803,CNC(=O)C1=CC2OC1(OC)CC2O,0,GDB ChEMBL
172335,CC(C)(C#N)Cc1cc(O)c(Br)c(Br)c1,1,GDB ChEMBL
231127,CCC1CC(=O)N2C=[NH+]C(CC)CC2C([NH3+])C1,0,GDB ChEMBL
284841,C#CC1CN(C(N)=O)CCC1[NH3+],0,GDB ChEMBL
98632,Nc1c(F)cc(F)c(N)c1F,1,GDB ChEMBL
195189,CC(CO)Oc1nc(CC[NH+]=C(N)N)n[n-]1,0,GDB ChEMBL
113555,CCNC(=[NH+]C)C(N)CCO,0,GDB ChEMBL
173930,C[NH2+]Cc1cc2sc(=O)oc2cc1N(C)C,0,GDB ChEMBL
120862,CCN1CC2(NC1=O)C([NH3+])C2C[NH3+],0,GDB ChEMBL
20508,CCN1CC2(C1)C(C)CC[NH+]2C,0,GDB ChEMBL
372670,CC(C#N)CC(=O)c1cn(C)nc(N)c1=O,1,GDB ChEMBL
120881,CC1C[NH2+]CCC(C)(CCCO)CN1CC=O,0,GDB ChEMBL
188516,C[NH2+]C1C2=NCCN2C(C(O)C(=O)[O-])C1OC,0,GDB ChEMBL
186665,CC1CC23C[NH+](C)CCC2C[NH+]1C3,0,GDB ChEMBL
119229,CCc1[nH]c(C(C)(C)C)c(C)c1CC(F)(F)F,1,GDB ChEMBL
131912,CC(CO)C(COC(N)=[NH2+])[NH2+]CC(=O)[O-],0,GDB ChEMBL
281955,C#CC(CC=C)CCCCC(C)C,1,GDB ChEMBL
236600,CCC(C)C1C2C(=CC[NH+]2C)C1(C)C,0,GDB ChEMBL
6058,CC1(C)[NH2+]CC1(C)c1ccccc1,0,GDB ChEMBL
271344,CC(O)C1CC2(C[NH3+])CCCC(C)C1C2,0,GDB ChEMBL
174055,C=CC(O)CCC1[NH2+]C1CCC[NH3+],0,GDB ChEMBL
146075,COCC1(N)C([NH+]=C(N)N)C1(C)O,0,GDB ChEMBL
287349,COC1CC(CCO)C1,1,GDB ChEMBL
337369,CNC(=O)Oc1cncc(N)c1[N+](=O)[O-],1,GDB ChEMBL
73810,CC1OCC([NH3+])C2C[NH2+]CC1C2C,0,GDB ChEMBL
2959,CCCNC(=O)C(O)C1([NH3+])CC1,1,GDB ChEMBL
94607,C#CCC(C#CC)OC(C)=O,1,GDB ChEMBL
367621,CCC(CO)CC(C)[NH2+]C1(C)CCN(C)C1,0,GDB ChEMBL
190292,CC1C2CCC3C2CN(C=O)C13,0,GDB ChEMBL
305467,CNC(=O)C(NC=O)C(O)C(C)CO,1,GDB ChEMBL
151150,CNC(=O)C(CO)NS(=O)(=O)CC(C)O,1,GDB ChEMBL
161055,C#Cc1ccc(C)n(C)c(=O)ccc(CC)c1,0,GDB ChEMBL
194712,CC(C)C(C(N)=O)C1C2C=CCCC21C,0,GDB ChEMBL
193761,CC(=O)C1CCC2NC(=O)C3(CO3)C21,0,GDB ChEMBL
386468,[NH3+]C1C(O)C[NH2+]CC1CC(O)C1CNC(=O)O1,0,GDB ChEMBL
6068,CNc1nc(O)c2c(n1)CNC(=[NH2+])N2,0,GDB ChEMBL
45938,C=C(C)C1CCC2CCCC21CC,1,GDB ChEMBL
41159,CNC(=O)CC(CC(N)=O)CC([NH3+])C(C)C[NH3+],0,GDB ChEMBL
214906,CNc1c(O)cc(N)c(F)c1CC(N)=[NH2+],0,GDB ChEMBL
296309,CN1C2C(C(N)=O)CC(NCS1(=O)=O)C2O,0,GDB ChEMBL
388412,[NH3+]C1COC2CC[NH2+]C2C1,0,GDB ChEMBL
348616,CCCC1C=CC(CC(C)C)C1(C)CC,0,GDB ChEMBL
263965,C[NH2+]Cc1cc(C(N)(CO)C[NH+](C)C)oc1C,0,GDB ChEMBL
126966,CCC1(c2cccc(F)c2)CC1,1,GDB ChEMBL
112568,CCn1c([O-])nc(NC)c([O-])c1=O,0,GDB ChEMBL
318039,CN1CC2CCC(O2)C1=O,1,GDB ChEMBL
286885,CC1=CC2C[NH+](C)C3C[NH+](C)CCC23C1,0,GDB ChEMBL
34417,CC(O)CC1C2CC([NH3+])C(CC(N)=O)N12,0,GDB ChEMBL
80306,N=C1CC(COC(N)=O)CNC(=O)N1,0,GDB ChEMBL
206969,CCCC(C)C1CC(C)C=CC1(C)C(C)C,0,GDB ChEMBL
363592,COC1(C2CCC(C)C2C)CCCC[NH+](C)C1,0,GDB ChEMBL
345841,NC(=O)N1Cc2snc(OCC(=O)[O-])c2C1,1,GDB ChEMBL
228791,CCC(C)C(C=CC(F)(F)F)CC,1,GDB ChEMBL
252611,CC1(C(O)CO)COCOC1=O,0,GDB ChEMBL
99390,CC(=O)OC1CC12CNC(=[NH2+])N2C,0,GDB ChEMBL
217150,Cc1nc(OC(C)CO)cn1C,1,GDB ChEMBL
180821,CC(=O)c1cc(O)ncc(O)c(C(=O)[O-])c[nH]1,0,GDB ChEMBL
391658,C[NH2+]C1C(O)C1(C)CC([NH3+])C(N)C(=O)[O-],0,GDB ChEMBL
199490,CN(C=[NH2+])CC[NH2+]C1CC(CO)C(C)(C)C1,0,GDB ChEMBL
262554,C#CC(=O)NC(=N)N(C)S(=O)(=O)CCC,1,GDB ChEMBL
45076,Cn1cncc2c(cc3c1OCO3)NCC2,0,GDB ChEMBL
382206,CCC1=CC2(CCC(N)=O)CC2CC1,0,GDB ChEMBL
191363,CC[NH+]1CC2CCC3C2C3(OC)C1,0,GDB ChEMBL
149384,C#CC1(CC(C)CCOCC)CCCC1OC,0,GDB ChEMBL
151130,CCCCOC(=O)CN1CC1,1,GDB ChEMBL
382162,CC1=CC(c2cc(C)cc(C)c2F)CC1,1,GDB ChEMBL
70360,N#CCNC1(CO)CC(O)(CC(N)=O)C1O,0,GDB ChEMBL
143486,CCCC(=O)N1C=[NH+]CC(C)(C)CC1,0,GDB ChEMBL
264972,CC[NH2+]CC(C#N)(C(C)C)C(C)C(C)[NH3+],0,GDB ChEMBL
235647,CC1(CO)C[NH2+]CC1=O,1,GDB ChEMBL
367648,CCCCC1(C)CC(CCO)C1C,0,GDB ChEMBL
323338,CCC12CCCC(C)C(C[NH2+]C(C)C1)C2,0,GDB ChEMBL
26037,CCCC1C([NH3+])CCC1[NH3+],0,GDB ChEMBL
165198,C[NH2+]C1CCC[NH2+]CC1C1CC(O)C2CN21,0,GDB ChEMBL
97105,CCCCCN1CC1C[NH3+],0,GDB ChEMBL
358416,CC(O)C(O)C(O)C(O)C[NH3+],0,GDB ChEMBL
260736,CC1CC2C(O)C(=O)C1C(=O)N(C)S2(=O)=O,0,GDB ChEMBL
35676,N#Cc1cc(=O)[nH][c-]1C(N)=O,0,GDB ChEMBL
54777,[NH3+]CC(O)C1OC2C(CO)OC(=O)C12,0,GDB ChEMBL
84495,CNC(=O)C1OC(COC(N)=[NH2+])C(OC)C1[NH3+],0,GDB ChEMBL
112645,Cc1c(O)cn2c1NC(C)CCCC2,0,GDB ChEMBL
169100,CCOC1C2NS(=O)(=O)C1C(O)C2OC,0,GDB ChEMBL
141854,CCC1CCn2c1cnc2CN(C=O)CC,0,GDB ChEMBL
38470,CCN1CC(C#N)N=C1NC=O,1,GDB ChEMBL
258289,N#CCC(C(O)C(N)=O)C1NC1CO,0,GDB ChEMBL
157038,CCOC1CCC(=O)C12CN2CCO,0,GDB ChEMBL
259483,[NH2+]=C1NCC=C1C(CC[NH3+])CC(=O)[O-],0,GDB ChEMBL
201387,CCOC12CCCCC(=O)C=CC(C1)C2,0,GDB ChEMBL
127771,CCCn1cc(C#N)cc1S(=O)(=O)[O-],0,GDB ChEMBL
315240,CCC(CCC#N)C(C)c1c[nH]c(C[NH2+]C)c1,0,GDB ChEMBL
206811,C#CC1(C(N)=O)CC(CO)C(OC)O1,0,GDB ChEMBL
221104,C[NH2+]CC1CC2CC3C(C2)N13,0,GDB ChEMBL
248882,CC1OC1(C)C(O)C(C[NH3+])C(=O)[O-],1,GDB ChEMBL
83481,C[NH2+]CCNC(=O)C([NH3+])CO,0,GDB ChEMBL
191299,COC(=O)CC1C2C(C[NH3+])C(O)CC12C,0,GDB ChEMBL
74340,CC1[NH2+]C2(c3cccs3)CCCC2OC1C,0,GDB ChEMBL
388448,CC(C)Oc1c2c(n(C)c1CC#N)C(=O)NC2,0,GDB ChEMBL
254968,CCCCC1C[NH2+]CC1C(C)(C)C(C)(C)CO,0,GDB ChEMBL
291879,C#Cc1ccc(CC)cc1C(C)C(C)C(C)C,1,GDB ChEMBL
70881,CC([NH3+])C1CCC1NC(N)=O,0,GDB ChEMBL
281039,CC1COC(CCO)CN(CCO)C(=O)C1O,0,GDB ChEMBL
148850,CCCC1(C)CC(C)=CCCN(CC)C1=O,1,GDB ChEMBL
16489,C#CC1CCCC2CCOC1(C)C2CCC[NH3+],0,GDB ChEMBL
259538,CCC(=O)CC(C)CCC=O,1,GDB ChEMBL
3809,C[NH2+]C(C)C=CC(CC(N)=O)OC,0,GDB ChEMBL
182875,NC(=O)C(C[NH3+])NC1C(O)C1(O)CO,0,GDB ChEMBL
659,CC1CC2(C(N)=O)C[NH2+]C3C1C32,0,GDB ChEMBL
228875,CCC[NH2+]CC1CC1CC(C)C,0,GDB ChEMBL
33198,CCCc1cc(F)c(C)cc1C1COCC1[NH3+],0,GDB ChEMBL
345407,C[NH2+]CCC1(OC)C=C(C)CC1,0,GDB ChEMBL
263278,CCCCC(C)C(O)(CC)C1CCC([NH3+])CC1,0,GDB ChEMBL
70957,CC1OC1C(=O)N1CC(C[NH3+])NC1=O,0,GDB ChEMBL
239991,CC(O)CC1=CCC2CCC(C)C1(C)C2,0,GDB ChEMBL
235906,C#CCN(C)CC[NH2+]CC#CC#CCCO,0,GDB ChEMBL
104597,CC(=O)C1CCc2cncc(Br)c2CC(C)O1,1,GDB ChEMBL
374224,C[NH2+]CC1CC2=CCCC2=CCCC(=O)O1,0,GDB ChEMBL
286128,CC1Cc2ccc(Cl)c3c2C(C1)C1CC31,0,GDB ChEMBL
201131,COCCC1C2C3C=CC(C3)C1C1CC2[NH2+]1,0,GDB ChEMBL
47252,CCC1CC(C(C)=O)[NH2+]C1C(=O)CC(C)(C)C,0,GDB ChEMBL
380264,C[NH2+]CC1(C(=O)NC(=N)N)C(=[NH2+])N(C)CC1C,0,GDB ChEMBL
339970,Cc1cc(Cl)cc2c1CC1([NH3+])CCC=C21,0,GDB ChEMBL
84446,CCCC(CC)n1cc(C)c(NC=O)cc1=[NH2+],0,GDB ChEMBL
173937,CC(=Nc1nc(N)nc(N)c1N)NC(N)=[NH2+],0,GDB ChEMBL
398995,CC(C[NH3+])CC(=O)NC(C)C(O)C(=O)[O-],1,GDB ChEMBL
53039,CCCC(C)C1=CC=C(C)CCC=C1,0,GDB ChEMBL
67580,CC1COC(C2CC=CC2=O)C1,1,GDB ChEMBL
68496,COC1CC2CC([NH3+])C(C2)O1,0,GDB ChEMBL
18679,C#CCC1CC(CC)CC1(O)CC,1,GDB ChEMBL
228336,CCC1COS(=O)(=O)[N-]C(=O)NC1=O,0,GDB ChEMBL
21454,NC1=[NH+]C2C(CC(=O)NCC([NH3+])C2O)N1,0,GDB ChEMBL
247370,CC1=C(C[NH+](C)C)C[NH2+]C(C)C1,0,GDB ChEMBL
198814,CCC1CC2C=CC3CC(C)[NH+]1C32,0,GDB ChEMBL
3926,CCC(NC(N)=[NH+]C)C(N)=O,0,GDB ChEMBL
375910,Nc1cnc2c(c1O)CN1C(=O)CCC1C2,0,GDB ChEMBL
8761,C#CC1CC2CC(C)CCC(C[NH+]2C)C1CC,0,GDB ChEMBL
291507,CC[NH2+]CCS(=O)(=O)NC1C(O)C1(O)CO,0,GDB ChEMBL
83149,CCn1ccc(C2(CC)CC=CC2)c1,0,GDB ChEMBL
223314,CNC1(C[NH3+])CC(C)CC=CCC1[NH3+],0,GDB ChEMBL
70995,N#CCCCN(CC#N)C(=O)n1ncnn1,0,GDB ChEMBL
274978,CCOC(C)C1C=C(C)C2CCCC21,0,GDB ChEMBL
301432,CCC(=O)OCC(=O)C(=O)[O-],0,GDB ChEMBL
29755,CCC[NH+]1CC2(CC=C(C)C2[NH2+]C)C1,0,GDB ChEMBL
18927,CCOC(C)C(C)c1cc(C)c(F)c(O)c1C,1,GDB ChEMBL
391679,CCC[NH+]1CCC2(C)C(C)CCCC(C)C12C,0,GDB ChEMBL
218769,CC1(C=O)C(=O)OC(C(O)CC(=O)[O-])C1CO,0,GDB ChEMBL
201393,CC(C)(C)CCC1(c2ccccc2F)CC1,1,GDB ChEMBL
326458,CCCCC1CC(C)CC1O,1,GDB ChEMBL
346855,CC(O)C1COC2CN1CC2C=O,0,GDB ChEMBL
279985,OCc1nccc2ncnn12,1,GDB ChEMBL
322947,N=C1NC(=O)CNCC([NH3+])C1C([NH3+])CC(=O)[O-],0,GDB ChEMBL
79312,CC1(C)C=CCOCC1(C)C(=O)[O-],0,GDB ChEMBL
385407,COC1C(=O)C2C(NS(C)(=O)=O)C2C1O,0,GDB ChEMBL
176501,O=C([O-])C1COC(CS(=O)(=O)[O-])C1O,0,GDB ChEMBL
185988,CC1(O)C(=O)C2CNC(=[NH2+])N2C1C#N,0,GDB ChEMBL
262545,CCC[NH+]1CCC2CC(C2)CC(C)(CC)C1,0,GDB ChEMBL
290305,CC([NH3+])CCC1OC1CC1CC1,0,GDB ChEMBL
289850,CNC(=O)C(O)C(=N)N(C)C(=O)CC(N)=O,0,GDB ChEMBL
173178,CC1(C[NH+]=C(N)N)N=C(CO)NC1C(N)=O,0,GDB ChEMBL
26375,N#CCC1CC([NH3+])C=CC2CC[NH+](C2)C1,0,GDB ChEMBL
236732,CC(=O)Nc1nc(=O)c(N)nn1C,1,GDB ChEMBL
389606,O=C1CN2CC(COC(=O)N1)C(=NO)C2=O,1,GDB ChEMBL
350295,CN(C)c1c[nH]c2ncccc12,1,GDB ChEMBL
156736,C#CCC1CC(C)CCCCC(C)C(CC)C1,0,GDB ChEMBL
177224,CCC1(C)CCC2CCC(CC(C)C)C21,0,GDB ChEMBL
204330,C[NH+]=C(CC(=O)[O-])N1CC1CC(C)O,0,GDB ChEMBL
223310,CCC1CC2C(=O)C1OC2CC,1,GDB ChEMBL
24780,CCc1ccc2c(c1)C1COCC1C2,1,GDB ChEMBL
210761,N#CC(N)(C#N)C(N)(C(N)=O)C(=O)[O-],0,GDB ChEMBL
38926,CCC1C([NH3+])C(O)C2OCC3C1C32,0,GDB ChEMBL
271481,Cc1cc(I)cc(C23C=CC(CC2)C3)c1,1,GDB ChEMBL
204632,C[NH+]1CC2C3CCCCC3C2C1,0,GDB ChEMBL
275584,[NH2+]=C1NCC(O)CC(CO)N1,0,GDB ChEMBL
98561,C1=CC2CC3CCCC3[NH+](C1)C2,0,GDB ChEMBL
27952,CCC#CC(C)c1c(C)cccc1C,1,GDB ChEMBL
61860,CC(C#N)([N-]C=O)C(=O)NC(N)=O,0,GDB ChEMBL
384246,C[NH2+]C1(C)CC(O)C(O)C1N,0,GDB ChEMBL
210178,CC[NH2+]Cc1sc(C)c2c(C)ccc(OC)c12,0,GDB ChEMBL
353264,C#CCNc1cc2c(cc1C)C1C[NH+]1CC2,0,GDB ChEMBL
153274,CC(=O)c1c(C)c(Cl)cn(C)c1=N,1,GDB ChEMBL
23651,CC(N)(C[NH3+])C(C#N)NC(=O)c1cc([O-])no1,0,GDB ChEMBL
71410,O=C1C[NH2+]CCC(O)CC2CC=CN12,0,GDB ChEMBL
26460,CCC(=O)c1cnc(N)c2sncc12,1,GDB ChEMBL
120688,CN1CC1CCN1CCC([NH3+])C1,0,GDB ChEMBL
299744,CC(O)CC(NC=[NH2+])C(O)C1COCC[NH2+]1,0,GDB ChEMBL
377930,[NH2+]=C1NC(CO)C2C3CC(=O)[N-]S(=O)(=O)C132,0,GDB ChEMBL
307558,CN1CCC([NH3+])C(O)(CO)CS1(=O)=O,0,GDB ChEMBL
9927,CC1C(C(N)=O)C2CCCC23C[NH+]13,0,GDB ChEMBL
301152,CC1(C)CN(C(=N)CO)C(=O)O1,1,GDB ChEMBL
79578,CCC(C)[NH2+]C(C)CC1CCC(O)C1C,0,GDB ChEMBL
41160,CC1(C=O)C(=NO)C(N)=NC1C(O)CCO,0,GDB ChEMBL
227774,CCC1C(=O)NC2CC21,1,GDB ChEMBL
16760,CC(=NCc1ccco1)OC1CCC1,1,GDB ChEMBL
79264,COC(=O)C1(C)CCc2noc(C(=O)[O-])c2O1,0,GDB ChEMBL
105961,[NH3+]C1CCC2(CC1)CC1CCCC[NH+](CC1)C2,0,GDB ChEMBL
357610,C#CC1(O)CC(C)CCC(CC)(CCCC)C1,1,GDB ChEMBL
324298,Clc1cc(Cl)c2c(c1)OCC2,1,GDB ChEMBL
265235,C#CC(O)C([NH3+])C(C)CC,1,GDB ChEMBL
312830,CCC1C(O)C2C([NH2+]C)C23CCCC13,0,GDB ChEMBL
9685,CN1CCOCC[NH+]=C1N,0,GDB ChEMBL
207349,N#CC1CNCC2(CC2([NH3+])C(=O)[O-])C1O,0,GDB ChEMBL
818,O=C1OCc2cn[nH]c21,1,GDB ChEMBL
115941,C=CC1(C=CC(=O)C2(C)CO2)CC1,0,GDB ChEMBL
233955,CCC1CCC(C)([NH+]2C(C)C3CC(C)C2C3)C1,0,GDB ChEMBL
336083,CCC1COC(C=NO)(CCC(=O)NC)C1,0,GDB ChEMBL
353962,CCC1CC2OC1(C[NH3+])C(C)C2O,0,GDB ChEMBL
40044,CCCCC1C[NH+](C)C2CC1C2,0,GDB ChEMBL
319778,NS(=O)(=O)OC1CC2CC1C(O)C(O)C[NH2+]2,0,GDB ChEMBL
131689,CC1C(C)C1C1C([NH3+])CC(O)C1(C)C,0,GDB ChEMBL
248253,CC(C)c1csc(C(=O)CN(C)C)n1,1,GDB ChEMBL
134480,CC1C(O)CC([NH+](C)C)C12OC2S(N)(=O)=O,0,GDB ChEMBL
334412,CCC12CCCC(C[NH2+]C1)C2C(O)C(C)C#N,0,GDB ChEMBL
94708,Cc1nc(Nc2c[n-]nc(Cl)c2=O)sc1C,0,GDB ChEMBL
135407,CN1CC1C(C)(O)C1CC1,1,GDB ChEMBL
279250,CC#CC(O)(C[NH3+])CCO,1,GDB ChEMBL
99419,[NH3+]C1(CO)CC(O)C[NH2+]CC1Cc1cnn[nH]1,0,GDB ChEMBL
107030,COCC[NH+]1CCC(C)C1,0,GDB ChEMBL
9905,CCC(C)(C)CC(C)C1CCCC1=O,1,GDB ChEMBL
8721,COC(CO)CNc1c[nH]nc1N,1,GDB ChEMBL
50124,NC(=[NH2+])c1ncc(F)c2c1CC=CCN2,0,GDB ChEMBL
72386,COC(=O)C(N)C1OCCC(=O)O1,1,GDB ChEMBL
84570,CC1OCC1[NH2+]CC(C)(C)CCC(N)=[NH2+],0,GDB ChEMBL
132525,N#CC(NC(N)=[NH2+])C(O)C1CCO1,0,GDB ChEMBL
111894,C=CCC(C)=CC(C#CC)CCC,0,GDB ChEMBL
347999,COCC1C(C2CC2)CC(O)C2CC21,0,GDB ChEMBL
20719,CCOCC1CC2C(C#N)C2NC1=O,0,GDB ChEMBL
130239,CC1C2C=CC3C1CC(O)CCC23,0,GDB ChEMBL
29927,CCC[NH+]=CNC1(CC(C)(C)C)CC1,0,GDB ChEMBL
70875,CC(CCCO)C12CCC(O)C1CO2,0,GDB ChEMBL
304885,CCc1nn(C)c2c1C(O)CN2CC,1,GDB ChEMBL
124820,CCC(CC(=O)n1c(CC#N)cnc1N)OC,1,GDB ChEMBL
283248,COC(C(=O)[O-])C1(C2CN2)CN(C)C(=[NH2+])N1,0,GDB ChEMBL
240426,CCCC(CC([NH3+])C(N)=O)OC(=O)NC=O,1,GDB ChEMBL
18342,CC=C1CC(C)=CCC1CCCC,1,GDB ChEMBL
185956,CC(=NO)C1C[NH2+]C(CS(N)(=O)=O)C1O,0,GDB ChEMBL
61523,CCCC(CNc1sc(CC)cc1NC)OC,1,GDB ChEMBL
354577,CCC1CC=C(C(C)(C)C#N)C1,1,GDB ChEMBL
297229,Cc1cc(F)nc2n[nH]c(C)c12,1,GDB ChEMBL
233451,C#CC(C)([NH3+])CCC(C)(C)OC,0,GDB ChEMBL
354842,Fc1ccc2c(c1C(F)(F)F)C1CCCC2C1,1,GDB ChEMBL
31342,CC1=CC(=O)N(C)C=CC=C1,0,GDB ChEMBL
333651,O=C(CO)c1c(CO)cc(O)nc1Br,1,GDB ChEMBL
120502,CCC(C)C1[NH2+]CC1C,0,GDB ChEMBL
29694,C#CCCC1CC(C)([NH+](C)CCCC)CC[NH2+]1,0,GDB ChEMBL
83003,CC1([NH3+])CC[NH2+]C2CC(C2)C1,0,GDB ChEMBL
361196,C#CCOCc1cc(C(F)(F)F)cs1,1,GDB ChEMBL
144543,COCCC(C)N1CC(=NO)C1(C)C(N)=[NH2+],0,GDB ChEMBL
378145,C#CC(C)C1C2CC[NH+](C)CC21,0,GDB ChEMBL
207704,CCC(C(C)O)C([NH3+])C1NC(=O)C(=O)[N-]C1=O,0,GDB ChEMBL
64311,C[NH2+]CC12CC([NH3+])CC(C1O)S(=O)(=O)N2,0,GDB ChEMBL
25149,C#CC1C=CC(c2ccc(Cl)cc2)C12CC2,0,GDB ChEMBL
262552,CC[NH2+]C1(C)CC=CC(CC(C)C)OCC1,0,GDB ChEMBL
335481,CC1CC(C)C2(C)CCCCCC2C(C)C1C,0,GDB ChEMBL
61532,CNC(=[NH2+])OC1C(CC[NH3+])C1OC,0,GDB ChEMBL
379178,CNC1CC[NH+](C)CC(NC(N)=[NH2+])CC1[NH3+],0,GDB ChEMBL
358543,CCCC(O)CCC(C)OC(=O)C(C)C,1,GDB ChEMBL
77274,C#CC(C)[NH2+]C1(C(C)(CCO)OC)CC1,0,GDB ChEMBL
44075,CS(=O)(=O)NC1CN(C=O)CC1=O,1,GDB ChEMBL
173119,CCC1COCC(O)(C(C)(C)C)CC[NH2+]1,0,GDB ChEMBL
194244,CCC1[NH2+]CC2C(O)CC1C2O,0,GDB ChEMBL
111885,CC1C2CCC(C=O)(CN2CCO)C(C)[NH+]1C,0,GDB ChEMBL
292738,CC1C2CC([NH3+])C(C(=O)[O-])CN12,0,GDB ChEMBL
76364,CCC1C(=C(C)C)C=CC1CC[NH3+],0,GDB ChEMBL
228345,COc1ccc2c(c1F)NC1CCC=C1C2,0,GDB ChEMBL
391601,C[NH+](C)CC1C2N1C(CC#N)CC2(C)C,0,GDB ChEMBL
63160,C=C(C)C1CCC2C[NH2+]C(CC)C21,0,GDB ChEMBL
19601,CC1CCCc2ccc(c(Cl)c2)C2CC2C1,1,GDB ChEMBL
33561,CN1CC2CC(C1=[NH2+])C(O)CO2,0,GDB ChEMBL
289972,COC(CC[NH3+])C(C)(C)CC#CC(C)O,0,GDB ChEMBL
263305,CN=C(NC)N1CC(C)NS(=O)(=O)CC1=O,1,GDB ChEMBL
115239,N=COCC(O)CC([NH3+])C(=O)[O-],1,GDB ChEMBL
150544,N#CCC(C(=O)[O-])C(O)C(=O)c1conc1[O-],0,GDB ChEMBL
389087,C#CC1C([NH2+]C)C1OC(C)(C)CC(C)C,0,GDB ChEMBL
118492,CCCC1(O)CC[NH+](C)C(CO)C1C[NH3+],0,GDB ChEMBL
361641,CC(O)C1CCCC2C=CCC1C2,1,GDB ChEMBL
195507,N#Cc1[nH]ncc1C(O)CO,1,GDB ChEMBL
148930,Cc1cc(NC(=N)C(=O)[O-])on1,1,GDB ChEMBL
71433,N#CC1CCC2(CO)NC(=O)C3N1C32C[NH3+],0,GDB ChEMBL
325872,CC[NH2+]CC(=O)Nc1n[nH]c(=N)oc1=O,0,GDB ChEMBL
288952,CC1CC2C(C)C1C1CCCCC21C,0,GDB ChEMBL
115390,COc1ccncc(C)nc(=O)c2nc1OC2,0,GDB ChEMBL
344269,CC(CC#N)C1(C(F)(F)F)CC=CC1,0,GDB ChEMBL
99453,CC1OC2C(CO)C=CC2C2CC1NC2=O,0,GDB ChEMBL
81425,CNS(=O)(=O)CC(=O)CC(=NO)C(C)(C)C,1,GDB ChEMBL
313355,CC1CC2C(CCC[NH3+])CC1C2O,0,GDB ChEMBL
397945,CC1=CC2CCCC(C1)C2CO,0,GDB ChEMBL
223528,CCC1(C)[NH2+]C2CC(CO)C1C(C)(O)C2,0,GDB ChEMBL
318798,CCC(CC)C[NH2+]Cc1c(C)ncc(F)c1F,0,GDB ChEMBL
41630,CNC(=O)C1(C[NH3+])CC1C1NC=[NH+]CC1C,0,GDB ChEMBL
136465,NC(=[NH2+])N1CC([NH3+])C2OCC2NC1=O,0,GDB ChEMBL
243389,C[NH2+]Cc1ccc2cccc(C(F)(F)F)c2n1,0,GDB ChEMBL
113493,CC1CCCC=CC2=CC(CO)[NH+]1C2,0,GDB ChEMBL
259084,CCCC1(CC)CC2C[NH+]1C1(C)CCN2CC1,0,GDB ChEMBL
301449,C[NH2+]C1C(C)C(C)CCN2CC12,0,GDB ChEMBL
225858,C[NH2+]C1CC2CC(OC)C(O)C1(N)C2,0,GDB ChEMBL
366594,CCC(O)CC(O)C1C[NH2+]CC(O)C1[NH3+],0,GDB ChEMBL
203521,CC(C(N)=O)N1C(=N)C(C)(C)C(C)CC1=O,0,GDB ChEMBL
235894,CC1CN(c2cnoc2CC(N)=O)CC(C)O1,1,GDB ChEMBL
2979,CNC(CS(C)(=O)=O)C(C)=NO,1,GDB ChEMBL
277872,NC1CC[NH2+]CCNC1=O,0,GDB ChEMBL
330109,C=CC(C[NH2+]CCO)NC1COC1,0,GDB ChEMBL
271003,C#CC[NH+]=C(NCC)NC(N)=[NH+]C,0,GDB ChEMBL
332436,CC(C)C(C[NH3+])C1(C#N)CC1,0,GDB ChEMBL
299702,CCC[NH+](C)C(CC)c1ccc(I)cc1,0,GDB ChEMBL
199031,COCC1CC2C(C)CC1C2[NH3+],0,GDB ChEMBL
203331,COC1C2OC(CO)C1OC2=O,1,GDB ChEMBL
299732,CC(C(=O)NC=O)C(C#N)N=C(N)NCC[NH3+],0,GDB ChEMBL
67809,CN1C2C(=O)[N-]C(C(N)=[NH2+])C(O)CC21C#N,0,GDB ChEMBL
323294,C#CCCCC(CC(C)(C)C)C(C)CC,1,GDB ChEMBL
172383,[NH2+]=C1OC(CO)CN1CCS(=O)(=O)[O-],1,GDB ChEMBL
178026,C=CCC([NH3+])C1C2CCC[NH+]1CC2,0,GDB ChEMBL
312869,CC(CC(CO)C(N)C(N)=[NH2+])OC=O,0,GDB ChEMBL
247510,CCC(C)(CCC(C)C)C1CCC(C)(C)[NH2+]1,0,GDB ChEMBL
380384,CCC1[NH2+]CC2(c3cncs3)OC1CCC2C,0,GDB ChEMBL
398150,C[NH2+]CC1(CCCOC)CC(C)=CCO1,0,GDB ChEMBL
291495,CC(CN1C=C(C#N)COC1=N)NC(N)=[NH2+],0,GDB ChEMBL
389067,CCC1=CCC(C)(COC)CC2CC2C1,0,GDB ChEMBL
294214,C[NH2+]C1CC2(C1)C(C)OCC2([NH3+])CO,0,GDB ChEMBL
118134,CC1CCC(CC[NH3+])CC(C#N)C1,0,GDB ChEMBL
356840,C#CCCCC#CC(=O)OCC(C)O,1,GDB ChEMBL
176535,CC(O)CC(C)C1=CCCC1C,1,GDB ChEMBL
133003,CCCCC(CC(C)(C)C)C(C)CC(C)C#N,0,GDB ChEMBL
1469,CCC1CCCC(C)(CC)CC(CC)(CC)C1,0,GDB ChEMBL
132284,C#Cc1c(C#N)cc(C)c2cocc12,0,GDB ChEMBL
18880,CC12Cc3cc(Cl)ccc3C1C2,1,GDB ChEMBL
148401,CC1CC2C=CC1C1OC(=O)C(N)CC1C2,0,GDB ChEMBL
338387,C[NH2+]CC12C3CCC1(OC)C2C(O)C3,0,GDB ChEMBL
44675,CC1CC2C3CCCCC(C(O)C12)[NH+](C)C3,0,GDB ChEMBL
119643,Cc1c(C2CCC(C)[NH2+]2)ncc([O-])c1C[NH3+],0,GDB ChEMBL
330020,CC1=CC[NH+](C)CC2(CC2)N(CC[NH3+])C1,0,GDB ChEMBL
147903,CCC(O)C1NC1C(=O)NC,1,GDB ChEMBL
355375,O=Cc1c(O)cc(Br)c(O)c1C(=O)[O-],1,GDB ChEMBL
42242,CC[NH2+]CCC(O)C(C)COC(=O)C=O,0,GDB ChEMBL
304833,[NH3+]CC1(CCc2ncc[nH]2)C2CNC(=O)N21,0,GDB ChEMBL
216183,CC([NH2+]C1C(C)C1(C)CO)C(N)CC[NH3+],0,GDB ChEMBL
270074,C[NH+]=C1NCCC1[NH2+]Cc1ccc(I)cc1,0,GDB ChEMBL
323206,CC1[NH+](C)C2CC3CC3C1(CO)C2O,0,GDB ChEMBL
326423,NC(=O)C(=O)OCC([NH3+])C(O)C(=O)[O-],1,GDB ChEMBL
203825,CCC(C)C(CC)C1CCC(C)=CC1C,0,GDB ChEMBL
190078,CC(=[NH2+])N1CC(C)(C)C[NH2+]CC(C)C1CC[NH3+],0,GDB ChEMBL
280627,CC[NH+]1CCCC(C(=O)NC)=C2CCC2C1,0,GDB ChEMBL
303351,CCCC1(CC#N)CC2CCCCCCC1C2,0,GDB ChEMBL
56608,CC1c2cc(CO)[nH]c2CN1C(=O)C(N)C#N,1,GDB ChEMBL
134796,C[NH2+]C12CC(COC)N(C)C1C2C[NH3+],0,GDB ChEMBL
303911,CC[NH2+]C(CC)C1(C[NH+](C)C)CCC(C)(C)C1,0,GDB ChEMBL
182265,CC1C=CC2OCC[NH2+]C(C)C12,0,GDB ChEMBL
352689,NC(=[NH2+])C1(C(=O)[O-])C(N)C1NC(N)=O,0,GDB ChEMBL
362366,COC1COC(CC(=O)[O-])C1(C)S(=O)(=O)[O-],0,GDB ChEMBL
214414,CC1(C)CC=C(C2CC2)CCCC1,1,GDB ChEMBL
159873,CC12COCC1([NH3+])C2C(=O)[O-],0,GDB ChEMBL
286834,COC1CC(C)CC(O)C=C(C)C1C,0,GDB ChEMBL
278157,CCCC#CCc1ncc(F)c(C)c1C,1,GDB ChEMBL
352705,CC1[NH2+]C(CO)C2OCC(CC[NH3+])C12,0,GDB ChEMBL
379174,CCC(=O)c1ncn(CC)c1C(C)(C)C,1,GDB ChEMBL
311688,CCOC1CC2CC1(C)C(C)(O)C(CC#N)[NH2+]2,0,GDB ChEMBL
256191,CN1C(C(=O)[O-])C2NCC(=O)C1C2OC(N)=O,0,GDB ChEMBL
13855,COCC1CC(C)[NH2+]CC(CC(C)=NO)O1,0,GDB ChEMBL
111912,Nc1ccnc2[nH]c(O)nc12,1,GDB ChEMBL
354081,N#CC1C(C[NH3+])C(=N)N1C(=O)CC(=O)[O-],0,GDB ChEMBL
21741,CNC(=O)CC1C=CCC12C[NH2+]C2,0,GDB ChEMBL
378566,C[NH+]1CCC=CCC(CC2=CCCC2O)C1,0,GDB ChEMBL
348871,CCC(C)C1(C(O)CC(C)C)C=CCC1,0,GDB ChEMBL
222922,NCC(=O)Oc1ccncc1I,1,GDB ChEMBL
83066,CC(O)C1COCC(C)(C)O1,1,GDB ChEMBL
188524,CC(=N)OC1(CS(N)(=O)=O)CN(C(C)=O)C1,0,GDB ChEMBL
108116,COCC1(CN2CC2C)CC(=O)N1,0,GDB ChEMBL
61294,O=CC1CC(c2ncccc2Cl)C2CC12,0,GDB ChEMBL
300506,O=C([O-])C1[NH2+]CC2C3OCC(=O)C123,0,GDB ChEMBL
195417,CC(=O)N(C)CCC1(C#N)NC1CO,0,GDB ChEMBL
275646,CCC1(C)CC[NH2+]C1C1=CCCC1,0,GDB ChEMBL
334112,C#CC1CC2CCC(CCCC)C(C2)C(C)C1,0,GDB ChEMBL
152495,CCC(C)(O)CC1CC1C,1,GDB ChEMBL
333064,CC1CC2C(O)C2NC(=O)C1O,0,GDB ChEMBL
194287,CCC1C(C2CS(=O)(=O)[N-]C2=O)C[NH+]1C,0,GDB ChEMBL
286176,CCCn1ccc(OC=O)n1,1,GDB ChEMBL
390473,CCC1C(CC)C1(CO)CCCO,1,GDB ChEMBL
92299,C#CC(C)C1CCc2ccc(C[NH2+]C)c(F)c21,0,GDB ChEMBL
161803,CC12CNC(=O)CC(C1)C(C)(C)C(=O)CN2,0,GDB ChEMBL
286864,CC1=CC(C(C)(C)C)CC[NH2+]C1,0,GDB ChEMBL
338372,C#CC1CC2(CO1)CN(CC)C(=O)N2,0,GDB ChEMBL
675,CN(C(=O)C1(C#N)CC1)C(CO)COC=N,1,GDB ChEMBL
92354,CCC(CCC(N)=O)(CC(=O)[O-])C1([NH3+])CC1,0,GDB ChEMBL
168467,CC1(C)CN2C(CC[NH3+])CCC(C#N)C21,0,GDB ChEMBL
259401,CC([NH3+])C1C[NH2+]C(C2CCC2)C1OCC[NH3+],0,GDB ChEMBL
396756,CCCc1cnc(C[NH3+])ccncs1,0,GDB ChEMBL
115450,C=C(C)C(C#N)C1(C[NH2+]C)C[NH2+]C1,0,GDB ChEMBL
337085,C#CCN=CN(C)C(=O)OCC[NH3+],0,GDB ChEMBL
165196,NC1=[NH+]CC(n2cc(CO)cn2)C(C=O)N1,0,GDB ChEMBL
358157,CCC[NH2+]CC1(C)C=Cc2ccccc21,0,GDB ChEMBL
264993,C#CCOC(=O)NC1CC1,1,GDB ChEMBL
314113,CC1CC[NH2+]CC(NCCO)C#CC2OC12,0,GDB ChEMBL
398905,COC(=O)C1=C(C)C2CC2C1,1,GDB ChEMBL
130410,O=CNCCCNC(=O)n1cnnc1,1,GDB ChEMBL
281950,CCC(C)([NH3+])C(C)(C)C(N)=O,1,GDB ChEMBL
319195,CC([NH3+])CC1C=CCC(C)C1,0,GDB ChEMBL
359079,C#CC1C2CCC(=O)NC(=O)C2(C#N)CN1C,0,GDB ChEMBL
273973,C=CCOCCC1[NH2+]CCCC1=C,0,GDB ChEMBL
334164,N=C1OC2C([NH3+])CC([NH3+])(C(=O)[O-])C12,0,GDB ChEMBL
56627,CC12[NH2+]CC(C(N)=O)(C(=O)[O-])C1C2S(C)(=O)=O,0,GDB ChEMBL
377333,C#Cc1cc2cccc(F)c2cc1C(C)(C)C,1,GDB ChEMBL
312252,C#CC(O)(C[NH3+])C1CC(O)C(C)C(C)[NH2+]1,0,GDB ChEMBL
305495,O=C1NC2C3C[NH2+]C(C3)C(O1)C2O,0,GDB ChEMBL
338646,CC1=[NH+]C2CCC(C[NH+]=C(N)N1)C2C(=O)[O-],0,GDB ChEMBL
80227,COC1C(O)C(CO)C[NH2+]C1C(C)O,0,GDB ChEMBL
254952,NS(=O)(=O)CC1CCOC(=O)C(C=O)N1,0,GDB ChEMBL
17076,N#CC1C=CCC(=N)NC1=O,1,GDB ChEMBL
169376,CC(C)C(=O)NC1CC(N)=[NH+]CC2(CO2)C1,0,GDB ChEMBL
126635,CNc1cc(O)ncocc(COC)n1,0,GDB ChEMBL
98871,CCN(CCC=O)C(N)=O,1,GDB ChEMBL
116083,CC12CC(=O)OC(C1)C1CC12,0,GDB ChEMBL
127263,Cc1ccc(Cl)c(C2C3CCCC32O)c1,1,GDB ChEMBL
324041,CC12CC(=O)NC(C(O)C1O)C2O,0,GDB ChEMBL
118477,CC(O)C(CCC(C)(C)O)CC(C)C(C)(C)C,0,GDB ChEMBL
301409,CC(C=O)C1=CCOC(=O)NC1=O,1,GDB ChEMBL
132209,CC[NH2+]C1C(CC)NC(=O)C2OC21,0,GDB ChEMBL
67843,CCC(=O)C1C(C#CCOC)C1(C)C,0,GDB ChEMBL
64086,N#CC1=CC(O)C2OC(=O)NC12,0,GDB ChEMBL
76725,CCc1c(Br)cc(N(C)C)c(O)c1Br,1,GDB ChEMBL
291923,N#CC(CO)(CO)N(C=O)C(=N)N,1,GDB ChEMBL
41172,CC1CC(O)(CC2(C)COC(=O)C2)CO1,1,GDB ChEMBL
242999,CC1=CCCC2C(=CC1)CCCC2C(C)C,1,GDB ChEMBL
338538,CCCCC1(CO)C(CC)[NH2+]C2C=CCC21,0,GDB ChEMBL
103878,CCCc1c(Cl)c(C)cc(Cl)c1N(C)C(C)C,1,GDB ChEMBL
366547,C[NH+]1CCOC(CC[NH+]=CN)C1,0,GDB ChEMBL
201380,CCC1C(O)C2(CO)CCC=CC(=O)NC12,0,GDB ChEMBL
48169,CC1(C)[NH2+]CCOCCC1C1CC1,0,GDB ChEMBL
246971,CCCCOC(=N)c1cn(C(N)=O)ccc1=O,1,GDB ChEMBL
176536,CC1[NH2+]C2CC3C(=O)C2OCC13C,0,GDB ChEMBL
137113,CC12CNS(=O)(=O)C1C(O)C(C(=O)[O-])[NH2+]2,0,GDB ChEMBL
25238,NC1C([NH2+]C2CC2)C1(N)C(=O)[O-],0,GDB ChEMBL
292553,C[NH2+]CC(N)C(O)C(O)C1NC1CO,0,GDB ChEMBL
296622,CCC1C[NH+](C)C2C(=O)OC3C(C)CC132,0,GDB ChEMBL
57263,O=CC(C1COC1)N1CCC1CO,1,GDB ChEMBL
8640,CC1CC2([NH+](CCN)C(C)C)CC1C2,0,GDB ChEMBL
41618,C[NH2+]CCCC(C)CC1CC2(C)C[NH2+]CC1C2,0,GDB ChEMBL
271126,CC(=O)C[NH2+]CC(CO)Oc1ccncc1N,0,GDB ChEMBL
203513,Cc1cc(C2CCCCCC2)c(F)c(C)c1F,1,GDB ChEMBL
31382,COC(CO)C1CC(C)(C[NH3+])N1,0,GDB ChEMBL
330141,Cc1cc(C(C)C2CC2)ccc1I,1,GDB ChEMBL
5257,CCC(CO)N=C1C[NH2+]CC2(CC2)N1,0,GDB ChEMBL
112373,CCC1C(C)=CCCC2CCCCC21,1,GDB ChEMBL
247583,CCN=C1NC2C[NH2+]CC2O1,0,GDB ChEMBL
106006,COCc1c(N)c(C#N)c2c(C)ccn2c1N,0,GDB ChEMBL
73803,C[NH2+]C(CO)C1=CCN(C)C(=[NH2+])CC1,0,GDB ChEMBL
304832,CCC1CC=CCCCC2CC1C1CCC21,0,GDB ChEMBL
334039,CCC(CC)c1nc[nH]c1CN(C)CC#N,1,GDB ChEMBL
273962,C[NH2+]CCC1C(O)C2CC2C1O,0,GDB ChEMBL
210390,C[NH2+]C1C(C[NH3+])CC1(C)CCO,0,GDB ChEMBL
182256,CCC(CCOC)COCC(C)C,1,GDB ChEMBL
277604,C#Cc1c(C)c(CCC)c(F)c(C=O)c1CC,1,GDB ChEMBL
258251,CNC(=O)C1C([NH3+])CC2C([NH3+])C21,0,GDB ChEMBL
380325,COC(=O)C(O)C1(C)CNC(N)=[NH+]1,0,GDB ChEMBL
276071,CCC1C(O)CC[NH2+]C1C,0,GDB ChEMBL
354070,CCC1CC#CC(C)(O)C=C(C)CCC[NH2+]1,0,GDB ChEMBL
236707,CCC1C[NH+]1C1CC(C)C(C)C1,0,GDB ChEMBL
46058,CCC(C(C)CCO)C1(CC)CC1OC,0,GDB ChEMBL
43542,CC1CCC2(C3CC3)CC[NH+]1C2,0,GDB ChEMBL
29799,NC(=[NH2+])N1C(N)=NC(C(N)=O)C1CO,0,GDB ChEMBL
247562,COCC(NCC[NH3+])C1CS(=O)(=O)NC1=N,0,GDB ChEMBL
182097,N#C[C-](CC1N=C(N)NC1=O)C(=O)C(O)C=O,0,GDB ChEMBL
60987,CC#Cc1cc(C2CC[NH2+]C2)ccc1Br,0,GDB ChEMBL
228483,COCC(C=NO)C(=O)NC(=O)OCCO,1,GDB ChEMBL
318356,CCC1OCC(C[NH3+])C(=O)OC1=N,1,GDB ChEMBL
162496,CC1CCC(C(N)=O)C2C(C[NH3+])C(C)C12,0,GDB ChEMBL
280597,CCC1CC(=C2CCCC2)C[NH+]1C,0,GDB ChEMBL
287330,CC1=CC(C2CC2C[NH3+])OC(=O)C1,0,GDB ChEMBL
204540,CNc1cc(C(C)C)cc(C(C)(C)C)c1Cl,1,GDB ChEMBL
294471,CCCCC12CCC3C(C31)[NH+](CC)C(C)C2,0,GDB ChEMBL
124276,CC(C)COC1(C)CC(O)C([NH3+])C(O)C1O,0,GDB ChEMBL
299973,CCC(CC)CC(=O)CCCC(C)(C#N)CC,1,GDB ChEMBL
98641,COC1CNS(=O)(=O)C2C([NH2+]CCO)C12,0,GDB ChEMBL
161419,CCCN1CC2(C)C(=O)C1CN(C(C)=N)C2=O,0,GDB ChEMBL
398898,CC1C[NH+]2CC(CC2CC2CCC2)O1,0,GDB ChEMBL
218569,C=CC12CCCCC1C(C)C(C)C2,0,GDB ChEMBL
38204,CC1(O)C(O)CC1NCC[NH3+],0,GDB ChEMBL
387037,CCCCC1=CC=CCC(C)CC(C)=C1,1,GDB ChEMBL
359148,CCN=C1OCC(NS(C)(=O)=O)C1N,1,GDB ChEMBL
246921,COCCCC(=N)OC1C[NH2+]C1,0,GDB ChEMBL
161357,C#CC1C(C)=CCCCC(C)C1OC,0,GDB ChEMBL
120858,CNc1cnc(C)nc[nH]c(C)c1CCO,0,GDB ChEMBL
93077,C[NH2+]CC1(C)COC(=O)C1CC(C)C(C)[NH3+],0,GDB ChEMBL
92903,CC1CC2C(=O)NC(C[NH2+]1)C2=O,0,GDB ChEMBL
45671,CCOC12CC(C)C(OC)C1(C)C2CO,0,GDB ChEMBL
218307,CC(NS(C)(=O)=O)C1OC(=O)CC1(O)C=O,0,GDB ChEMBL
112351,CC1(C2CC2)CC2CC1OCC2O,0,GDB ChEMBL
47244,CCOCC1CC(=O)OC1CCO,0,GDB ChEMBL
156780,CCC1(C)C2CCCC1C(C(C)(C)C)C(C)[NH2+]2,0,GDB ChEMBL
335501,CCC#CCC#Cc1c(C)cc(Br)cc1C,1,GDB ChEMBL
62015,C[NH2+]C1C(O)C2(C)CCCCCC1C2(O)CO,0,GDB ChEMBL
33269,CC(COCCC(=O)NC(=O)C(N)=O)=NO,1,GDB ChEMBL
330064,O=C(NCCO)C1CO1,1,GDB ChEMBL
222819,Cc1cscc1NC1CC1,1,GDB ChEMBL
177291,NC1=[NH+]C([c-]2ccc(=O)[nH]2)CO1,0,GDB ChEMBL
310275,C[NH2+]CC1NC1CC(C)CC([NH3+])CC#N,0,GDB ChEMBL
277854,CCCC1CC2(CCC)CCCCC1C(C)C2,0,GDB ChEMBL
218337,CC1NC(=O)NC2(CS(N)(=O)=O)CC1C2C[NH3+],0,GDB ChEMBL
354106,NCC1[NH2+]C(CCC(=O)[O-])CC2CC1(O)C2,0,GDB ChEMBL
78634,CCN(C=N)C(=O)C(O)CC(N)=[NH2+],0,GDB ChEMBL
75013,CC1CC[NH2+]C(C)(C)C2CCC(CC2)C1,0,GDB ChEMBL
204455,[NH3+]CC1C([NH3+])CC2CC(O)C1O2,0,GDB ChEMBL
160992,NC(=[NH2+])CC1CN1C(=O)CO,0,GDB ChEMBL
377796,CC1OC(=O)C(O)(CS(C)(=O)=O)C(C)C1CO,0,GDB ChEMBL
58943,CCc1cccc(I)c1C1CN1,1,GDB ChEMBL
375514,CC#CCC(CC(C)OCC)C(C)C,1,GDB ChEMBL
25189,CC(C[NH3+])CCC(CO)CCO,0,GDB ChEMBL
63139,CC1C=CC(O)(CO)C1,1,GDB ChEMBL
66185,CC(CCC[NH3+])C1CC2C(C)C2C1,0,GDB ChEMBL
33569,CC(C)CCCCCS(=O)(=O)[O-],1,GDB ChEMBL
182469,CC(CN(C)CC[NH2+]CC1(C(=O)[O-])CC1)=NO,1,GDB ChEMBL
331453,C#CC(C)C(Cc1ccccc1)[NH2+]C,0,GDB ChEMBL
200579,CN1C(=N)NCC(=NO)C(C(N)=[NH2+])CC1=O,0,GDB ChEMBL
91180,O=C1OCC2C1NC1CNC(=O)C12O,0,GDB ChEMBL
259554,COC1CC(=O)C2CC1(O)C1CN2C1,0,GDB ChEMBL
230397,CCC(=O)n1cc(CO)cc1C1CC1,1,GDB ChEMBL
392239,CC[NH+](C)C1C2CC(C)OC1C2,0,GDB ChEMBL
228826,C#CC=CCc1cc(Br)cc(Br)c1,1,GDB ChEMBL
121111,C[NH2+]C1CCC2(C)C(=CCC3CCCC32)C1,0,GDB ChEMBL
148798,CC1(O)CC2C[NH2+]CCC(CO)C1C(=O)C2,0,GDB ChEMBL
311053,C#CC(C#C)c1cc(F)cc(C(C)(C)C)c1C,0,GDB ChEMBL
274134,CC1=CC2=C(C)C(=O)CCCC(N2)C(O)C1,0,GDB ChEMBL
130197,CCn1c(N)cc2c(C)cc(F)cc21,1,GDB ChEMBL
127051,CC[NH2+]C(C)C1CC(C)C=CCC1(C)C,0,GDB ChEMBL
4887,COC(=O)CCCC12C[NH+](CC1C)C2,0,GDB ChEMBL
34279,CC(=[NH2+])N1CC=CC1CO,1,GDB ChEMBL
5243,Cc1ncc(CN=c2cc(C)c(CO)n[nH]2)s1,0,GDB ChEMBL
265244,CCC1COC(C(=O)[O-])C2(COC)CN12,0,GDB ChEMBL
266440,CC(=O)C1(C)CC[NH+](C)C1C,0,GDB ChEMBL
21896,CCC1CC2CC([NH+](C)CC)(C1)C2,0,GDB ChEMBL
131917,N#Cc1n[nH]c2c(C=O)c(Cl)ncc12,1,GDB ChEMBL
81557,CC1C[NH2+]C2(CNC2C(N)=O)CC(C)C1O,0,GDB ChEMBL
23589,CC1OC(C(N)C[NH3+])C(C([NH3+])C(O)C(N)=O)O1,0,GDB ChEMBL
346982,N#CC1COCC2CN=C(O2)C(=O)[N-]1,0,GDB ChEMBL
325919,CCc1cc2c(Cl)c([O-])cnc2o1,0,GDB ChEMBL
362040,C#Cc1c(Cl)cc2c(c1CO)CC(C)O2,1,GDB ChEMBL
33878,C=C1CNC(=O)C1NS(=O)(=O)CC#N,1,GDB ChEMBL
17578,CCOCC1C(O)CC2C(C)C12,0,GDB ChEMBL
250565,CCCCc1c(C(C)(O)CC[NH3+])c[nH]c1C[NH3+],0,GDB ChEMBL
77749,CCC1(OC)CC(O)C2CC2C1,1,GDB ChEMBL
230487,CC12CC[NH2+]CC(O)C(NC(N)=[NH2+])C(CC1)[NH2+]2,0,GDB ChEMBL
8783,CC(CCC(N)=O)C([NH3+])Cc1ccncc1N,0,GDB ChEMBL
34848,CNC(=O)c1cc(=[NH2+])[nH]cc1C1CN1,0,GDB ChEMBL
326469,N#CC1C(C[NH3+])N1CCO,0,GDB ChEMBL
248901,CC(=O)N1CCOC2(CC2)C1,1,GDB ChEMBL
372476,CS(=O)(=O)CC1OC(=N)NC(=O)CCNC1=[NH2+],0,GDB ChEMBL
60942,CC1NCCOCC2CC(O)C1[NH+]2C,0,GDB ChEMBL
95525,CC1C2OC2(C)CC(=O)N1CC#N,0,GDB ChEMBL
17067,C#CC[NH2+]CC(C)(C#C)NCc1cc(C)cs1,0,GDB ChEMBL
352874,C[NH2+]C1(C)CC(C)(CC(OC)C(F)(F)F)C1,0,GDB ChEMBL
374881,CC(=[NH2+])NC1CCC(N)C(=O)OC1CC(C)[NH3+],0,GDB ChEMBL
179431,Cc1cnc(N)nc(CC(C)(C)C#N)cc[nH]1,0,GDB ChEMBL
286999,[NH3+]C1C(O)C(=O)NC2(CO)CCOC12,0,GDB ChEMBL
10598,CNC(=O)C(C)(CC(N)=[NH2+])C(N)=O,0,GDB ChEMBL
308222,CCC1C(C)CC2(C)CCC=CC12,0,GDB ChEMBL
372651,CCN1CC1C1CN1CC(O)CO,0,GDB ChEMBL
62058,NC(=[NH2+])C(NC(C[NH3+])CC(N)=O)C(=O)[O-],0,GDB ChEMBL
1475,NC(=[NH2+])NC(C(=O)[O-])c1ncn[nH]1,0,GDB ChEMBL
38924,C[NH2+]C(C#CC(C)COC)(CO)CO,0,GDB ChEMBL
354602,NC(CO)C1C2CCNC(=[NH2+])N21,0,GDB ChEMBL
261220,COC1CC(C)C(C)=CC1(O)CC1CC1,0,GDB ChEMBL
81522,C#Cc1cc(Cl)c(C)c(C2=CCCC2)c1C,1,GDB ChEMBL
50231,CN1CCOC(=O)c2nc(CO)sc2NC1=[NH2+],0,GDB ChEMBL
255350,CC12CCC3CC1CC[NH2+]CC32,0,GDB ChEMBL
161090,C#CC(CC)CCC1CC1CC(C)C,1,GDB ChEMBL
302333,CC1CC(CO)C(C)C1C1CC1,1,GDB ChEMBL
370249,CCC1=CCC(C)C2CCC(OC)C12,1,GDB ChEMBL
395950,COC(=O)NCC#CC(=O)C(=O)[O-],0,GDB ChEMBL
251468,CC(O)C([NH3+])CC(C#N)OS(N)(=O)=O,0,GDB ChEMBL
141727,CC1CC=CCC1C1C=CCCC1,0,GDB ChEMBL
386401,CC(C#N)C12CC(CN(C)C1=O)N2,0,GDB ChEMBL
112381,CC(O)C1CC2CC3CC[NH2+]CC(C2C1)[NH+]3C,0,GDB ChEMBL
30343,CC[NH+](C)CCc1cc(CC[NH3+])cc(C)c1I,0,GDB ChEMBL
259404,CCC(=[NH2+])NCC1C2CCC([NH2+]C(C)C2)C1O,0,GDB ChEMBL
332434,N=C(N)NC(=O)n1c(N)cnc1N,1,GDB ChEMBL
299778,COCc1cc(=O)[nH]c(N)nc1=O,0,GDB ChEMBL
63088,CC(O)C(C#N)NC(=O)c1csnc1[N+](=O)[O-],0,GDB ChEMBL
179182,CCC(=O)N(CC(C)([NH3+])C1(C)CC1)C(C)C,0,GDB ChEMBL
289818,C#CC1C2CC1C(C)CCc1ccccc12,0,GDB ChEMBL
144558,CCCCC(CC)(CC(C)C)C(C)CC(C)C,0,GDB ChEMBL
290537,CNC(=O)N(C)C(=O)CCCc1ncncn1,1,GDB ChEMBL
299542,CC#CC(CC)C(C)CC(C)C,1,GDB ChEMBL
355284,CC1CCCC2C(O)CCOC12,1,GDB ChEMBL
302442,NC(=O)NC1C2C(O)C(C(=O)[O-])CC12[NH3+],0,GDB ChEMBL
151051,CC1CC2(C)CCCC3C[NH+](CCCO3)C1C2,0,GDB ChEMBL
374156,CC1CC(O)C(c2cc(CC[NH3+])nc(N)n2)C1,0,GDB ChEMBL
344384,N#CC1C(CO)Nc2nc(N)nc(N)c2C1O,0,GDB ChEMBL
312499,COCC(O)C1C(OC)CC(O)C1O,1,GDB ChEMBL
94865,CNC1=[NH+]C2CC(OC)C(O)C2N1C,0,GDB ChEMBL
280455,CNC(=O)C(C)[NH2+]CC(C)C(O)C(C)([NH3+])CN,0,GDB ChEMBL
39793,COC1C(=NO)CCOCC[NH2+]C1C(=O)[O-],0,GDB ChEMBL
149395,CC1CC[NH2+]CC1OC(=O)C(=O)S([NH-])(=O)=O,0,GDB ChEMBL
161804,CCC12CCC(CC1)CC1(CC2)CC1,0,GDB ChEMBL
228892,CCC1CC(N)=[NH+]CCC(C)(N(C)C)C(=O)O1,0,GDB ChEMBL
182890,CNC1=[NH+]CCC(C(C)O)C1C(OC)C(C)[NH3+],0,GDB ChEMBL
366883,[NH3+]CC1OC2C(O)C(CCO)OC12C(=O)[O-],0,GDB ChEMBL
311039,CCC1(C2[NH2+]CCC([NH3+])C2OCCO)CC1,0,GDB ChEMBL
79518,CC[NH2+]CC=C(CO)C(=O)CC=O,0,GDB ChEMBL
344371,CC12CN(C1)C(C(=O)NC(N)=O)C[NH2+]2,0,GDB ChEMBL
26869,O=C1C(O)C(O)C2(CO)CC12,1,GDB ChEMBL
21480,O=C([O-])CC1CC=CNC(=O)NC(=O)O1,0,GDB ChEMBL
259525,COC1COC2(CNC2=O)CC1O,1,GDB ChEMBL
281678,CCC1[NH2+]C(C)C2CCCC1C(CC(C)O)C2,0,GDB ChEMBL
263996,CCC1C(C)NC(N)=[NH+]CC1[NH+](C)C,0,GDB ChEMBL
203594,O=C1COC(CO)C2CC12,0,GDB ChEMBL
182268,CC1CCCOCC2C(C3CC3)C[NH+]12,0,GDB ChEMBL
84519,CCC1CC2(CC)[NH2+]C(C)c3cc(O)cc1c32,0,GDB ChEMBL
195379,C#CC1C=CC[NH+]1CCOC,0,GDB ChEMBL
170251,CC(CC(O)CC#N)C(F)(F)F,1,GDB ChEMBL
277068,C[NH+]=C(NC(N)=[NH2+])NC1CC1(C[NH3+])CO,0,GDB ChEMBL
183473,CC12CCCC[NH2+]CCOCC1[NH2+]C2,0,GDB ChEMBL
336010,CCCC1CCOC2C(CCC(CC)C2C)C1,0,GDB ChEMBL
189783,CCCC12C(C=O)C=CC1CCC2[NH+](C)C,0,GDB ChEMBL
385914,COC(=N)Nc1c(CO)cc(C(C)O)nc1C,0,GDB ChEMBL
136668,CC=C1C=CCCC1C(CC)CC,1,GDB ChEMBL
173970,CCC(C)C1CC2(C)CC(C)(C)CC(C)(C2)[NH2+]1,0,GDB ChEMBL
352237,CCCCCOC1CC([NH3+])C(COCCO)O1,0,GDB ChEMBL
306322,CC1OC(=O)C2CC3NC3(CO)C12,0,GDB ChEMBL
174293,[NH3+]C(CC(=O)[O-])CC(=O)Nc1cnon1,1,GDB ChEMBL
50935,CC#CC(C)C(C)CCC[NH2+]C,0,GDB ChEMBL
186589,C[NH2+]C(C=O)C1CC1(CO)OC,0,GDB ChEMBL
136682,CC12CC(=O)OCC1C1CCC2[NH2+]C1,0,GDB ChEMBL
231148,C#CC1=CC(C)CCc2sc(C)cc2C1,0,GDB ChEMBL
347957,CC(C)C(CC1CC[NH2+]1)C1CC1,0,GDB ChEMBL
44322,[NH3+]Cc1ccnc(-c2csnn2)c1,0,GDB ChEMBL
330780,CNC(=NC(C#N)C=O)N(C=N)C(=O)CO,1,GDB ChEMBL
392256,CC1CC(CO)(OCC2(C)CNC(=O)O2)C1,1,GDB ChEMBL
216543,CC(C(=O)[O-])C(O)C(O)C([NH3+])CO,0,GDB ChEMBL
355433,CC(CO)C1OCC2C[NH+]=C(N2)NC1C(=O)[O-],0,GDB ChEMBL
354393,[NH2+]=C1NCC2OCCC2N1,0,GDB ChEMBL
188481,CC1(CCC(F)(F)F)CCCOCC1,1,GDB ChEMBL
286175,CCC(CCC(F)(F)F)CC(C)CC1CC1,1,GDB ChEMBL
240814,CCC12CCC(C1)[NH+](C)CC(C(C)(C)C)C2C,0,GDB ChEMBL
304629,CCCC(CC1CCC=C1C)[NH+](C)C,0,GDB ChEMBL
147990,CC#CC1CC=CC[NH+]1C(C)CCC,0,GDB ChEMBL
8655,C#CC1CC(C)C(CC[NH3+])C2C[NH2+]C1C2OC,0,GDB ChEMBL
171909,CCC([NH3+])c1ccccc1Br,1,GDB ChEMBL
398788,COc1c(Br)cc(Br)c2ncncc12,1,GDB ChEMBL
331496,O=C1CC(O)C(O)C(C2CO2)N1,0,GDB ChEMBL
98633,CC(C(=O)[O-])C1(CO)C([NH3+])C1O,0,GDB ChEMBL
132227,FC(F)(F)c1ccnc(-n2cncn2)c1,1,GDB ChEMBL
136126,CC#CCC(C)(O)CCO,1,GDB ChEMBL
362987,N#CCCNC(=[NH2+])C[NH+]=C(N)N,0,GDB ChEMBL
204630,CCN1CC(C[NH3+])OC(C)C2(C#N)CC1CN2,0,GDB ChEMBL
6543,CC(=O)NC1=C(C#N)C(=NO)CC1(C)CO,0,GDB ChEMBL
378230,CCC(C[NH2+]CCN1CC1)OC,0,GDB ChEMBL
277449,CC1OC(C([NH3+])C(=O)[O-])C1OS(N)(=O)=O,0,GDB ChEMBL
112803,CCC([NH3+])C(N)C1OC(C)CC1C(C)(C)OC,0,GDB ChEMBL
123013,CCCCC(CO)c1c(C)c(C)cc(C)c1C,1,GDB ChEMBL
296349,CCCCC(C#N)(CC)CC(C)(C)C(C)CC,1,GDB ChEMBL
16531,C#CC1=NCC(C(C)C(=O)[O-])O1,1,GDB ChEMBL
338810,C1=NCCCCc2ccc(nc2)N1,0,GDB ChEMBL
354968,C#CC1CC2CCCC=CC1OC2C,0,GDB ChEMBL
249864,CC(CC([NH3+])CN)NCC#N,0,GDB ChEMBL
318123,Cc1cc2c(nc1N)CC1([NH3+])CC1C[NH2+]C2,0,GDB ChEMBL
280587,COC1(C[NH3+])CC(C(=O)[O-])[NH2+]CC12CCCN2,0,GDB ChEMBL
305325,O=C([O-])C1CC2[NH2+]C2C1C(=O)[O-],0,GDB ChEMBL
59618,Cc1c(C=O)sc2cncc(OCCO)c12,1,GDB ChEMBL
390133,CC1=CC=CC[NH+](C2COC2)CCC1,0,GDB ChEMBL
48749,[NH3+]C1C2OC(=O)C1C(O)(CCO)CC2O,0,GDB ChEMBL
309174,N=C1NC=NC2C(=O)NCC(O)C2O1,0,GDB ChEMBL
292935,CC12CCCCC1(C)C1CC2C2=C1C[NH2+]C2,0,GDB ChEMBL
204443,COCC12NC(CO)CC(C)(CC1C)OC2=N,0,GDB ChEMBL
190451,CC1(O)C(O)CC(C(N)C[NH3+])C1O,0,GDB ChEMBL
378896,NC(=O)C1C(O)C(CO)N2CC2C1O,0,GDB ChEMBL
165610,CC1=CC2COC(CC1=O)OC2,1,GDB ChEMBL
155196,CC1OC2CNC1C(N)(C#N)C2NS(C)(=O)=O,0,GDB ChEMBL
215686,CCOC(C)C1C(=O)C2NC2(C)CC1O,0,GDB ChEMBL
165967,NC(=[NH2+])CC(O)CC(=O)C(=O)[O-],0,GDB ChEMBL
382601,CCCc1c(C)cc(F)c(C)c1F,1,GDB ChEMBL
177843,C[NH+](C)CC1(C)CC2OC1CC2O,0,GDB ChEMBL
150100,CC#Cc1cc(F)cc2c1C=C(C)CC2,1,GDB ChEMBL
376958,C#CC[NH2+]C1CCC(C(C)C#CC)C1,0,GDB ChEMBL
247184,C#CC[NH2+]CCc1c(C)nc(N)sc1=O,0,GDB ChEMBL
372705,CCC1C([NH3+])C(NC)C=CCCC1(C)O,0,GDB ChEMBL
195335,O=CN1C(=O)C2CC1CC1C(=O)OCC1N2,0,GDB ChEMBL
328884,CC1OC(=O)NCC2C(C1O)N2C=O,0,GDB ChEMBL
136502,CCCC1CC(C=O)(C(C)C)C(C(C)CC)[NH2+]1,0,GDB ChEMBL
381497,COC(=O)C1=CC(O)C2CC12C(N)=O,0,GDB ChEMBL
42605,CC1[NH2+]CC=C1CCC(F)(F)F,0,GDB ChEMBL
255408,CC1[NH2+]CCC1(O)C(C)(C(=O)[O-])C(C)C,0,GDB ChEMBL
21455,CC1OC2(C)C(=O)NCC(O)CC1COC2=O,0,GDB ChEMBL
366559,Nc1cc(COCCO)cs1,1,GDB ChEMBL
184541,CC1[NH2+]C2CNC1C(O)C(=O)OC2C,0,GDB ChEMBL
11740,C#Cc1c(C)c(Br)cc(CC)c1C(CC)CO,1,GDB ChEMBL
95474,CC1OC(=N)NC2C(=O)C(=O)OC12,0,GDB ChEMBL
304105,COC1OC2C(C(N)=O)C[NH2+]C2C1O,0,GDB ChEMBL
237982,[NH3+]CCC1C(O)CCC1C[NH3+],0,GDB ChEMBL
180023,COc1cc(C)c2c(C)ccc(NC=[NH2+])c2c1,0,GDB ChEMBL
216548,NC(=O)C(C=O)C[NH+]1CCCC1,1,GDB ChEMBL
44564,CCC(C#CCOC)CC(C)(C)C[NH2+]C,0,GDB ChEMBL
342602,CCNC(=O)C(O)C=O,1,GDB ChEMBL
233902,COC1C([NH3+])C=C2CCC(O)C21,0,GDB ChEMBL
197185,CCC(C)C1C#CCC(C)=CC[NH+](C)C1,0,GDB ChEMBL
38922,COCC(O)CNc1c[nH]nn1,1,GDB ChEMBL
396718,C#CC1CCCCc2ccc(Br)cc2C1,1,GDB ChEMBL
372724,CCN1C(=O)OC(S(=O)(=O)[O-])CC1C[NH2+]C,0,GDB ChEMBL
170090,C#CCCC1C[NH2+]C1CO,0,GDB ChEMBL
23523,CC1OC(=O)C2C(C#N)C2C1O,1,GDB ChEMBL
16491,CC(C(O)C(O)(CO)CO)N(C=O)CC(N)=O,0,GDB ChEMBL
292212,CC1(C)CC(N)(CC2CCC[NH2+]2)C([NH3+])CC1O,0,GDB ChEMBL
246927,CC(C)C1CC(C2(C)CC2)[NH2+]C(C)(C)C1,0,GDB ChEMBL
79579,C[NH2+]CCc1cc(Cl)c([O-])c(=O)[nH]1,0,GDB ChEMBL
367606,C#Cc1ccc2cc(C(C)CC)cc(F)c2c1,1,GDB ChEMBL
149969,C#CC(C)C(=O)Oc1ccc(C)c(CO)c1C,1,GDB ChEMBL
71451,CC1=C(NC(C)C#N)CCC1=O,1,GDB ChEMBL
124531,CCCC1(C)CCC(C)(CC)C(CC(C)C)C1,0,GDB ChEMBL
26966,N=C(N)N1CC(NC=O)C(CNC=O)OC1=O,0,GDB ChEMBL
106613,N#CC1[N-]C(=O)C23OC(CO)CNC12C3N,0,GDB ChEMBL
338628,C[NH2+]C1CC2([NH3+])C(O)C2C1C(N)=O,0,GDB ChEMBL
348606,COC1CC2C[NH2+]C1C1COC(=O)C21,0,GDB ChEMBL
288477,Nc1cnc2c(c1)C=CCCN1CC21,1,GDB ChEMBL
296084,COC1CCCC([NH3+])C2C(C[NH3+])OC1C2C,0,GDB ChEMBL
222896,N#CC(CN)C1(CO)CNC(=O)C1N,0,GDB ChEMBL
382141,CCc1cc(Cl)c(C)c(C(CC)CC(C)C)c1,1,GDB ChEMBL
135445,CCC1C2[NH+]=C(N)NC12CN(C)C,0,GDB ChEMBL
249585,C#CCC1CC[NH+]2CCC1(CCCC)CC2C,0,GDB ChEMBL
221897,CC(O)C1NC(=N)NC(=O)OC(=N)CC1N,0,GDB ChEMBL
235977,CC1(O)CC([NH3+])CC(O)C12CCC2,0,GDB ChEMBL
326455,CCC12Cc3oc4cc(Cl)ccc4c3C1N2,0,GDB ChEMBL
280694,CC(C[NH3+])CC(CC1(C)CC1)OC(N)=O,0,GDB ChEMBL
17460,CCC1(C)CC2CC(CC1C)NC2=O,0,GDB ChEMBL
316427,Cn1nc(N)nc1C(N)C[NH+]=C(N)N,0,GDB ChEMBL
351371,CC1C(O)C2OC(=O)C1(CC[NH3+])O2,0,GDB ChEMBL
157407,COc1cc(O)c(F)c(O)c1OC=O,1,GDB ChEMBL
120344,CCN1CC[NH2+]CC2OCCC2C1C1C[NH2+]1,0,GDB ChEMBL
59214,C=CCC1(O)CC1C[NH2+]CC(C)C,0,GDB ChEMBL
117415,C#CC1CC(=O)Nc2c(C)c(CC)nc(F)c21,0,GDB ChEMBL
25166,CCOC(CC)C(C)([NH3+])C(C)CC,0,GDB ChEMBL
384822,CCc1cc(F)c(F)c2c1C1CC(C2)CC1C,0,GDB ChEMBL
105088,CC(O)C[NH+]1CC(C)OCC2(CO)CC12,0,GDB ChEMBL
133148,CC(=O)NCC#CC1(C)CCC1,0,GDB ChEMBL
29619,CCOCCC(=NO)C(C)C(O)CC(=O)[O-],0,GDB ChEMBL
38567,C[NH2+]C1COC(C)C(=O)C1C,0,GDB ChEMBL
369316,N#CCC1(CCCC2CC2)CC=CC1,0,GDB ChEMBL
205775,COC1(C)CC(C)=CC2OC(=O)NC21,0,GDB ChEMBL
87057,CC1CCOC2CCCCC(C)(C[NH2+]1)NC2=O,0,GDB ChEMBL
103512,CCc1ncnc(OC2C(O)C2OC)c1Cl,0,GDB ChEMBL
159878,CC(C)CC1([NH3+])CCCCC1,0,GDB ChEMBL
173113,CCNS(=O)(=O)OCC(C)(CC)COC,1,GDB ChEMBL
4990,NC(=[NH2+])NC1C(N)C1CC(O)CC(=O)[O-],0,GDB ChEMBL
300222,COC12CC(O)CCC1C1COC(=O)NC2C1,0,GDB ChEMBL
81595,CC1C2C(N)C(CC(=O)[O-])NC(=[NH2+])N12,0,GDB ChEMBL
29444,C#CC(C#C)N(C)C1C(C)NC(=O)C1CC=O,0,GDB ChEMBL
91182,CCC1CC(C)C[NH2+]CC2OC12,0,GDB ChEMBL
131890,CCCC(CC(C)C[NH2+]CCO)OCC(N)=[NH2+],0,GDB ChEMBL
4921,O=C1NC2C(CO)C2(C(O)C(=O)[O-])N1,0,GDB ChEMBL
182516,CCC(C)CN1C(=N)NCCC1=O,1,GDB ChEMBL
384836,CCC(O)C1C[NH2+]C2C(C[NH3+])C12,0,GDB ChEMBL
388263,C#CC(C)([NH3+])C(C)OCCCO,0,GDB ChEMBL
72005,OCC1CC(O)C2[NH2+]CCC12,0,GDB ChEMBL
73255,CC[NH2+]Cc1cc(Cl)cnc1C(=[NH2+])NC,0,GDB ChEMBL
34219,CC#CC(C=O)(CO)OCC(=O)NCC,1,GDB ChEMBL
124133,[NH3+]C1CNS(=O)(=O)C(O)CC(=O)OC1,0,GDB ChEMBL
140408,C#CCC(CNc1cc[nH]n1)OC(C)C,1,GDB ChEMBL
98833,C[NH+]1CCC(CCO)C1C1OC1C(C)(C)C,0,GDB ChEMBL
247386,C#CC1=CC(OC)CC1=O,1,GDB ChEMBL
274923,C[NH2+]CCC(=O)NC(C)CC(O)CC(N)=[NH2+],0,GDB ChEMBL
210963,Cc1noc2c1CN(CCC=O)C2,1,GDB ChEMBL
99092,CC1CCC([NH3+])CC2OC2(C)C1C,0,GDB ChEMBL
210758,CC12CCCC(CCCC[NH2+]1)C2,0,GDB ChEMBL
378079,CCC(C)NC1C(=O)OCCCC1C(=O)C=O,1,GDB ChEMBL
68512,Clc1ccc(C2(C3CCC3)CC2)nc1,1,GDB ChEMBL
262212,CC1(C)CC#CC2C(=O)NCC2CCC1,0,GDB ChEMBL
236038,CCC1(O)CC(N(C)C(N)=[NH2+])=[NH+]CC1CO,0,GDB ChEMBL
292334,N#CC1C(N)C(O)C(O)C(O)C1(O)CO,0,GDB ChEMBL
275642,C=CC(C)CCC(CCC)C(=C)C,0,GDB ChEMBL
203649,CC1CCC(C)(C)CCCCC2CC2C1,0,GDB ChEMBL
358452,CC1CC(C)(O)C2CNC(=O)N12,0,GDB ChEMBL
335454,CCC(CCCCC=O)C(C)(C)C1CCCC1,0,GDB ChEMBL
271079,COC12C=C(C)C(CO)CC1C2[NH+](C)C,0,GDB ChEMBL
12868,CC1(C(N)=O)NC(=O)C(O)C1NC(=O)C(=O)[O-],0,GDB ChEMBL
148751,CN1C(=O)C(O)CC2[NH2+]C(C)(CO)C21,0,GDB ChEMBL
293826,NC(=O)C1(CO)C(O)C(C(=O)[O-])C2CC21,0,GDB ChEMBL
87096,CC1OC(=O)CC1(C)C1(C)CNC(=[NH2+])N1C,0,GDB ChEMBL
271044,O=C1NCCC2(COC2)O1,1,GDB ChEMBL
182943,Cc1cc(C2CC=CC2C#N)ccc1Cl,1,GDB ChEMBL
391502,CC1[NH2+]CCCC2(CCCC2)C1=O,0,GDB ChEMBL
21745,C#CCC(CC(C)CCC)C(C=O)[NH2+]C,0,GDB ChEMBL
387341,CNC(=O)C12C[NH2+]C1C(C)C(C(=O)[O-])O2,0,GDB ChEMBL
128279,CC12[NH+]=C(N)NC1CNC2=O,0,GDB ChEMBL
274384,CC(C)C(C)OCC(=O)CCCCCO,1,GDB ChEMBL
148846,N#CC1C2CC(=O)NC12C([NH3+])CO,0,GDB ChEMBL
204654,C#CCCC(C)CCCCC[NH3+],0,GDB ChEMBL
39975,NC(=[NH2+])NCC1(N)C2OCCOC21,0,GDB ChEMBL
77002,CC(C)C(=O)C12CCC(CC1)C2,1,GDB ChEMBL
119994,CCC1(C)CCCCCC(C)(C)CCCC1C,0,GDB ChEMBL
210216,Nc1nc(C(N)CC([NH3+])CCC(=O)[O-])no1,1,GDB ChEMBL
99567,CCNC(=O)C1OC(C(=O)[O-])C(C)(C(N)=O)O1,0,GDB ChEMBL
342350,CNS(=O)(=O)C1C(NC=O)C1C(=O)[O-],0,GDB ChEMBL
277583,CC(C)(C#N)C([NH3+])CCCO,0,GDB ChEMBL
182944,CCOC(COCCC[NH3+])COc1cnn[n-]1,0,GDB ChEMBL
288534,CCC(C)C[NH2+]C1CCC(C)C2CCC2C1,0,GDB ChEMBL
67839,C#CC1C(C)CC([NH+]2CC2)C1(C)CCC,0,GDB ChEMBL
221957,COC(C)C1C(C)C1CC(C)[NH3+],0,GDB ChEMBL
137392,CCC1C(C(=O)[O-])C(O)C2(CO2)C1[NH3+],0,GDB ChEMBL
115910,CC1C(CO)C(O)C2OCCC12,0,GDB ChEMBL
181361,CNC(=[NH2+])N1C2CCC(OC)C21,0,GDB ChEMBL
47347,CC1NC(N)=[NH+]C(C)C2CCOC1C2,0,GDB ChEMBL
33252,CC1NC(=[NH2+])COC(=O)C(=O)NC1CC(N)=O,0,GDB ChEMBL
247575,CCCC(C#CC1(O)CC1O)NC(=O)NC,0,GDB ChEMBL
98858,C#CC(NCC[NH3+])[c-]1ccc(=O)o1,0,GDB ChEMBL
299200,CC#Cc1cc(F)c(C[NH3+])cc1C[NH2+]C,0,GDB ChEMBL
197020,CC1CC2CC(O)(CC[NH2+]2)c2cc(Cl)ccc21,0,GDB ChEMBL
307927,CC(=O)C[NH2+]C(C)CNC=O,0,GDB ChEMBL
16733,NC(=O)CC1CC1([NH3+])C(N)CCS(N)(=O)=O,0,GDB ChEMBL
389078,CCN(C)Cc1nc(CC(C)(C)CC)c[nH]1,1,GDB ChEMBL
330759,CC1C=CCC12CCCc1cccc(F)c12,0,GDB ChEMBL
70346,CC1CNC(Cc2cc(Br)cc(Br)c2)=[NH+]1,0,GDB ChEMBL
28311,CCCCCCC1CC([NH2+]C)C1,0,GDB ChEMBL
278830,CNC1=[NH+]CCC(C(C)[NH3+])C(C)N1,0,GDB ChEMBL
387300,NC(=O)C(CCC(=O)C(=O)[O-])=N[O-],0,GDB ChEMBL
190235,CCOC1CC(NC=[NH+]C)C(O)C1(O)C(=O)[O-],0,GDB ChEMBL
234855,CN=c1c(N)cscc1Oc1cncc(Cl)c1,0,GDB ChEMBL
112821,CNS(=O)(=O)CC1C(O)C1[NH2+]CC(=O)[O-],0,GDB ChEMBL
376975,[NH3+]CC(=O)NC1CS(=O)(=O)[N-]C1=O,1,GDB ChEMBL
103480,CC(C(N)=O)C1CCN2CC12,0,GDB ChEMBL
56682,CNS(=O)(=O)c1cn[nH]c1CC(C)OC,1,GDB ChEMBL
299980,N#CC(=N[O-])c1c[nH]nc1CNC(N)=[NH2+],0,GDB ChEMBL
325734,Nc1cc(F)c(OC2C3CCCC32)cn1,1,GDB ChEMBL
369910,CCn1cc(N(C)C)nc1NC,1,GDB ChEMBL
338291,CCc1ccc(O)c(Br)c1CNCC[NH3+],0,GDB ChEMBL
119263,CC(C#N)C1CCC(C)[NH+]1C,0,GDB ChEMBL
112584,CCC(C(C)C)n1ccc(C)c1C(C)C(N)=[NH2+],0,GDB ChEMBL
109501,CC(C)C[NH+](C)C(C)C1CC1,0,GDB ChEMBL
51057,CC([NH3+])(CO)C1(C(N)=O)C(O)C1O,0,GDB ChEMBL
383107,CC1(c2ccc(F)cc2)C=CC=C1,1,GDB ChEMBL
376695,CCC(C)CC1C2CCCCC1(C)CC(C)C2,0,GDB ChEMBL
112875,CC1CC1CCC1(C[NH3+])CC1,0,GDB ChEMBL
176518,N#Cc1coc(C(CC(F)(F)F)OC(N)=O)c1,1,GDB ChEMBL
46048,Cc1cc2c(c(Cl)c1Cl)C1C=CCC1C2,1,GDB ChEMBL
178063,CNC(=O)CNc1ccnc(=O)[nH]1,1,GDB ChEMBL
142520,CC1CC2(C(=O)[O-])OC2CC1O,0,GDB ChEMBL
182092,C=C1CCCC2C(=O)CC1C2CC,0,GDB ChEMBL
288663,CCCCC1CC2CC1C(C)CC2C,0,GDB ChEMBL
330349,C=CCOCCC(NCCO)=[NH+]C,0,GDB ChEMBL
120691,CC(=O)NC(C[NH3+])c1n[n-]c(C)cc1=O,0,GDB ChEMBL
331722,N=C(N)N1C(=O)C2C[NH2+]CC21CC([NH3+])CO,0,GDB ChEMBL
334124,CCCC(C)C(CCC)c1c(C)ccn1CC,0,GDB ChEMBL
177147,O=C1OCCC(c2ncsc2CO)NCC1O,0,GDB ChEMBL
391707,N#CC([NH+]=CN)C(N)C(=O)[O-],0,GDB ChEMBL
115760,Cc1cc(C(O)C(=O)[O-])c(N)ncsc(O)n1,0,GDB ChEMBL
132558,CNC(N)=[NH+]C(C=O)C(C)O,0,GDB ChEMBL
204384,CC(=O)c1ccncc1N,1,GDB ChEMBL
151692,C#CCC1(COC)CCCC(CCC)C1CC,0,GDB ChEMBL
370345,C#Cc1c(O)c(C)c(Cl)c(OC)c1Cl,1,GDB ChEMBL
281628,Nc1cnc2nc(N)cnc2n1,1,GDB ChEMBL
51395,CC1(C)CC2OC(C1)C1CC2C1,0,GDB ChEMBL
288454,OCCC1=CCCC(O)CC1,0,GDB ChEMBL
94731,CC(NCC[NH+](C)C)C(C)C(N)=[NH2+],0,GDB ChEMBL
238032,CC1=CC(C)(C)CC2CCCC1C(C)(C)[NH2+]2,0,GDB ChEMBL
318499,CNC1C(NC(N)=[NH2+])C(C)C1([NH3+])C(=O)[O-],0,GDB ChEMBL
325767,Cn1ncc2c1C1NC1(C)C(=O)N2,0,GDB ChEMBL
210745,CC(=O)NCC12CC1(O)C(=O)NC(=O)N2,0,GDB ChEMBL
317571,N=C1CC(C[NH2+]C(C=O)CC(=O)[O-])O1,0,GDB ChEMBL
258679,COC(=O)C1CC(C)(C[NH3+])C2NC12C,0,GDB ChEMBL
134752,CN=C(NCC(C)=O)NC(=O)NC(C)C(N)=O,1,GDB ChEMBL
201982,CCCc1cc(F)c(C2(C)CC2)c(F)c1F,1,GDB ChEMBL
317997,CCC1CC2CC([NH2+]1)C(C)[NH+](C)C2(C)C,0,GDB ChEMBL
4801,CC[NH+]1CCNC(C)C1C,0,GDB ChEMBL
230713,CCC[NH+](C)CC1CCC=C1CCO,0,GDB ChEMBL
274423,CNC(CC#N)C([NH2+]C)C(O)C(O)CNC=O,0,GDB ChEMBL
342596,C#CCC[NH+]1C(C(C)C)CC(C)C1(C)C,0,GDB ChEMBL
334099,Nc1ccc(S(=O)(=O)CCCO)c(I)n1,1,GDB ChEMBL
377336,CC#CC1CN(CC(C)=O)C(=N)NC1=O,1,GDB ChEMBL
346543,CC1CC[NH+](C)C2(CC2)C(=[NH2+])N1,0,GDB ChEMBL
79516,CCC(CNC(=[NH2+])N(CC)CC[NH2+]C)OC,0,GDB ChEMBL
358202,[NH3+]CCC1CC(O)C2OCC1C2O,0,GDB ChEMBL
210283,C1C2CC1C[NH+](C1CC1)C2,0,GDB ChEMBL
143507,CCCCc1cc(C)ncc1C1CC1,1,GDB ChEMBL
119817,C[NH2+]CC1(C(O)C#N)COC(=O)C1NC(N)=O,0,GDB ChEMBL
352656,CC1CC2CC3C=CCCC3[NH+]1C2,0,GDB ChEMBL
331522,CC[NH+]=C(N)Nc1cc(O)nn1C,0,GDB ChEMBL
391670,CN1CCCC(C(C(N)=[NH2+])C(N)=O)C(O)C1=[NH2+],0,GDB ChEMBL
223537,C=C1CCCCC(CC2CC2)C1C,1,GDB ChEMBL
366530,CCC1C(C)(C)C2CC(CO2)C12CC2,0,GDB ChEMBL
235200,CS(=O)(=O)NC1C([NH3+])C(C(=O)[O-])C2(CO)OC12,0,GDB ChEMBL
342613,C[NH2+]C1CC2=C(C1)CN(CC=O)C2,0,GDB ChEMBL
177322,C(CCOC1CC1)C[NH2+]C1CC1,1,GDB ChEMBL
240456,C[NH2+]C(C(N)=O)C(CO)C(=O)[O-],0,GDB ChEMBL
286120,C[NH2+]C1CC2CNC1C(=O)C2,0,GDB ChEMBL
112445,NC(=O)CCC(Nc1ncon1)C(N)=O,1,GDB ChEMBL
332379,CCCc1ccc(CCC#N)nc1Cl,1,GDB ChEMBL
8653,CCCCC1CCC(C(F)(F)F)C(CC)C[NH2+]1,0,GDB ChEMBL
147593,CC[NH+]1CCC2CCC(CC2)C12CCC(O)C2,0,GDB ChEMBL
150497,CCS(=O)(=O)N1C2C(C[NH3+])OC(=O)C21C,0,GDB ChEMBL
366552,C[NH+]=C(N)NC1C(NC(N)=O)C1S(C)(=O)=O,0,GDB ChEMBL
4853,C[NH+](C)C(C(O)C(=O)[O-])C1C(O)C1O,0,GDB ChEMBL
121708,[NH3+]C1C(O)C#CCCCNC(=O)C1O,0,GDB ChEMBL
203135,C#CCC1CCCC(C([NH3+])CO)OC(=NC)C1,0,GDB ChEMBL
22615,C=C1C(=O)C=C(CO)C(=O)N1CC,0,GDB ChEMBL
115043,C=CCC1OC(=O)C2C(=O)C=CC12,0,GDB ChEMBL
180014,[NH3+]CC(O)C1(C(=O)[O-])OCC([NH2+]CCO)C1O,0,GDB ChEMBL
304399,CC1(C[NH2+]CC(N)C#CCO)CCCO1,0,GDB ChEMBL
334717,CCC1CN(C=[NH2+])C(CC(=O)[O-])=N1,0,GDB ChEMBL
103485,CNc1ccc2c(c1)C1(CCOC1)N=CO2,1,GDB ChEMBL
199479,CN(CC[NH3+])C1C([NH3+])CC(O)(C[NH3+])C1O,0,GDB ChEMBL
247218,NC(=O)CC1NS(=O)(=O)C2OC3CC[NH2+]C1C32,0,GDB ChEMBL
391269,C#CC[NH+]1CC(CCC)CCCC1C,0,GDB ChEMBL
298974,Cc1cc(Br)c(N)c(CC2C=CCC2C)c1,0,GDB ChEMBL
206947,CCCCc1cc(Br)cc(CC)c1Br,1,GDB ChEMBL
392277,C[NH+]1CC(C2CN2)OCCC1CS(N)(=O)=O,0,GDB ChEMBL
256143,N#Cc1ncc2c(O)c3n(c2n1)C=CC3=O,0,GDB ChEMBL
374154,CCC1=CCCCc2c1ccc(I)c2OC,1,GDB ChEMBL
9754,C#CC1OCC([NH3+])C2C(O)CCC12C,0,GDB ChEMBL
175534,CCC1C(C)=CC(=O)N1C(C)C1CC1,1,GDB ChEMBL
45678,CC(C)CC1CC2CCCCCCC(C)C1C2,0,GDB ChEMBL
48170,Cc1cc(CCO)ccc1C(O)S(N)(=O)=O,0,GDB ChEMBL
11402,CCC1(CO)N(C)CC(C[NH3+])C2NC21C#N,0,GDB ChEMBL
174887,CCC1(COC)CC[NH+]1CC(C)C,0,GDB ChEMBL
330031,CNc1cn(C)c(=O)c(=O)c(CC(N)C[NH3+])n1,0,GDB ChEMBL
265482,CN1CC(C)(c2cnn(C)c2)CC1=[NH2+],0,GDB ChEMBL
285755,COC1(C)C(O)CC1C#N,1,GDB ChEMBL
247617,CC(C)(O)C1CC(O)C([NH2+]CCO)C1O,0,GDB ChEMBL
17612,C#Cc1ccc(CCCC[NH3+])c(I)c1,0,GDB ChEMBL
126369,CCCOCc1cc(C(=O)C(C)C[NH2+]C)on1,0,GDB ChEMBL
296066,CCOCc1cc(CC)c2nc(C)ccn12,0,GDB ChEMBL
330102,CCC(C([NH3+])C(N)CCO)C(C)(C)C[NH3+],0,GDB ChEMBL
48007,CC(C)(CC1CC1)OCc1cccc(F)c1,1,GDB ChEMBL
186613,CCC(N)C1(C)C(O)C(C(C)C)C[NH+]1C,0,GDB ChEMBL
99428,CCC[NH2+]CCC(C)=O,1,GDB ChEMBL
199095,CC(C([NH3+])C(N)=O)C1OC1CC[NH3+],0,GDB ChEMBL
362329,CCC(C)CCCC(C#N)CC,1,GDB ChEMBL
115170,NC(=[NH2+])C1OCC[NH2+]C2CC1OCC2C(N)=O,0,GDB ChEMBL
50321,CCC1C(C)C1Cc1c(C)cccc1Br,1,GDB ChEMBL
25187,CC1C2CC3CCc4c(F)cccc4C3C12,0,GDB ChEMBL
252352,C#Cc1cc(N)c(CC)cc1C,1,GDB ChEMBL
362604,NC(=[NH2+])N1CC(O)CC2(CO2)C(N)C1,0,GDB ChEMBL
222065,CC[NH+](CC)CC#CCO,1,GDB ChEMBL
247590,CN=C1OCCC1C(C)C,1,GDB ChEMBL
356483,C#Cc1c(N)c(CC)c(F)c(F)c1CO,1,GDB ChEMBL
272528,CC1CC(Oc2ccccccoc2)CC1O,0,GDB ChEMBL
337133,CN1CCNC2C(C#N)C21,0,GDB ChEMBL
318023,C[NH2+]CC1[NH2+]C2CCC(C)(C)C1C(C)C2,0,GDB ChEMBL
218796,CCC[NH+](C(C)C)C(C)Cc1ccc(C)cn1,0,GDB ChEMBL
312844,CCCC(C#N)(CCC(C)C)N=COCC,0,GDB ChEMBL
31309,N=C(OC=O)C1NC(=O)CCNC1=O,1,GDB ChEMBL
115038,O=CC(=O)OCC1CC[NH2+]1,0,GDB ChEMBL
281011,CNC(=O)C12OC1C(=O)NC2C(C)O,0,GDB ChEMBL
274029,CC1C(C(O)C(=O)[O-])N1C1CC1,0,GDB ChEMBL
115610,C[NH2+]C12CCN3C(=O)C(C[NH3+])CC3C1C2O,0,GDB ChEMBL
97213,CNc1c(C)ccc2c1COCC2C,1,GDB ChEMBL
284269,CN1C2C(=CS1(=O)=O)C[NH2+]C2C(=O)[O-],0,GDB ChEMBL
50081,CCC(C[NH3+])OC1(C[NH3+])COC1,0,GDB ChEMBL
224007,CC(C[NH3+])C12CC(C)(C=CC(=O)N1)OC2=O,0,GDB ChEMBL
276340,CC1(C(N)=O)CCS(=O)(=O)N1,1,GDB ChEMBL
94841,N#CC1C=CC2CC2CC(=O)[N-]1,0,GDB ChEMBL
358470,CC=CC(O)C1CC2CCC(C2)C1,1,GDB ChEMBL
227624,CCC12C(C(=O)[O-])CC(C1[NH2+]C)C2(C)[NH3+],0,GDB ChEMBL
170106,CC(CN)[NH+]=C1CC(CO)C(N)CN1,0,GDB ChEMBL
358227,CCC1C=CCCC2C1CC(C)[NH+](C)C2C,0,GDB ChEMBL
107688,CC1C=CC([NH3+])C=CCCC1,0,GDB ChEMBL
103477,COC1CC(C)[NH+]=C(N)C1(O)C(C=O)CC#N,0,GDB ChEMBL
124766,CCC(C)(CC#N)C(C)C[NH+]1CC(C)C(O)C1,0,GDB ChEMBL
311332,CN(CC(N)C#N)C(=O)C(O)CC(O)C(N)=[NH2+],0,GDB ChEMBL
210996,C#Cc1cc(C)c2c(c1)CC1C(C)C1CC2,0,GDB ChEMBL
338548,CC(C(N)=O)N1CC2(COC2C)[NH+]=C1N,0,GDB ChEMBL
290159,C#CCCC(C#N)C(C)CC1(C#C)CCC[NH2+]1,0,GDB ChEMBL
300460,CCC1C2C(CO)CC(CO)C12,0,GDB ChEMBL
224037,CC1(C)CC(C#N)c2c(cnc(Cl)c2[O-])N1,0,GDB ChEMBL
98889,CC1CCC2C[NH+]2C(C)C1,0,GDB ChEMBL
378087,CCN(CCC(O)CCO)C(=[NH2+])CN(C)C,0,GDB ChEMBL
83056,CC1Cc2ccncc2C(C)CC(C)C(C)C1,0,GDB ChEMBL
155086,CCc1c(C2CC(C)C(C(C)C)C2)csc1C,1,GDB ChEMBL
61250,N#CC(C(N)CC(=O)[O-])S(=O)(=O)N1CC1,0,GDB ChEMBL
305937,CC(C([NH3+])CN)C1Cn2ncnc2C1N(C)C,0,GDB ChEMBL
370325,O=C1NCCOC2CCC3C1C23,1,GDB ChEMBL
277925,CCC[NH+]1CC=CCC1COC,0,GDB ChEMBL
296323,CCCC(C)CC1=CC=C(C)CCC1,0,GDB ChEMBL
210191,O=C1C=C2NC(=O)C(CCN1)C2O,0,GDB ChEMBL
372586,CCC(CC1CC=CC1)CC(C)(C)CC,1,GDB ChEMBL
117318,C#CCCC(=O)C1C(O)CCC[NH2+]CC1C#N,0,GDB ChEMBL
99456,CC12CC(c3ccc(F)cc31)N1CC12,0,GDB ChEMBL
326483,CCC(O)C1CC1C(=[NH2+])NC(N)=[NH2+],0,GDB ChEMBL
111908,C#CC12CC([NH3+])CC(C(N)=O)C(C1)C(=O)N2,0,GDB ChEMBL
259478,NC(=[NH2+])NCC(CCO)NC=[NH2+],0,GDB ChEMBL
72003,C#Cc1c(Cl)cc(NC)c(C2CCC2)c1O,1,GDB ChEMBL
118721,C[NH2+]CC12CCC(C)C(C1)C2,0,GDB ChEMBL
130431,CCCCC1CC=C2CCC(C)(CC)CC21,0,GDB ChEMBL
284895,CC1=CC(C[NH3+])C2C(C=C1)CC(CO)C2O,0,GDB ChEMBL
319841,C#CCc1ccc(C#N)c(CCC)c1Cl,1,GDB ChEMBL
330018,CNC1(C)CC([NH2+]C)CCCC=CC1=O,0,GDB ChEMBL
354591,COCCNC1(C(=O)CO)CC(=O)NCC1O,0,GDB ChEMBL
79392,NC1C[NH2+]C2C(O)C3C=CCC2C13,0,GDB ChEMBL
300129,CC(=O)N1C(=N)OC(C[NH3+])(CO)C1C,0,GDB ChEMBL
42606,CCC1CC2C=CC(C1)C2(C)CCC1CC1,0,GDB ChEMBL
354568,Cc1nc(CN(C)C)c2c(n1)C(C)OCC2O,1,GDB ChEMBL
24297,CCC1(O)C(NCCNC(=O)CO)=NCC1[NH3+],0,GDB ChEMBL
162921,C#CC(C(=C)CC)C(=C)C(=O)OC,0,GDB ChEMBL
72401,CC[NH+](C)CC1CC2(O)C[NH2+]C1C2(O)CC[NH3+],0,GDB ChEMBL
233913,CCC(OS(N)(=O)=O)C(C)C(=O)[O-],1,GDB ChEMBL
332728,O=C([O-])C1CCN=COC1CO,0,GDB ChEMBL
319804,CC1=[NH+]C(c2cncc(Cl)c2)C(C)N1C,0,GDB ChEMBL
358869,Cc1occ2c1CC(C)[NH2+]C2,0,GDB ChEMBL
130344,CCC(=CCCC1CC1)C1C[NH2+]C1,0,GDB ChEMBL
27935,CC(C)C1CCC2(C)CCC(CC2C)[NH2+]1,0,GDB ChEMBL
284872,CCOC(C#CC1CC1)CCO,1,GDB ChEMBL
26061,C#CC1C(=O)NCC=CCN1C,1,GDB ChEMBL
63126,C#CC[NH+](C(C)C)C1CC=C(C#C)C1,0,GDB ChEMBL
92296,C#CC1CC(O)C(C)=CCCCC1=O,0,GDB ChEMBL
17636,CCCC([NH3+])C1CC2(O)C([NH3+])C2(O)C1,0,GDB ChEMBL
316431,CC#CCC1CCCC1(C)CC[NH3+],0,GDB ChEMBL
362640,NC(=O)Cc1cnc(CNC(N)=O)nn1,1,GDB ChEMBL
165265,COC1CCC(=O)C(C#N)=C1C,1,GDB ChEMBL
66178,O=C1CC2OC(=O)C1Cn1cccc12,1,GDB ChEMBL
70102,C[NH+]1CCOC2(C)CC2(C(N)=O)C1,0,GDB ChEMBL
29597,CCCC1[NH2+]C2CC(C)(CCC1C)CC2CC,0,GDB ChEMBL
203761,NC(=O)NC1C(=O)CC=CNC1=O,0,GDB ChEMBL
77031,CC[NH+]1CCC2CC=CC1C(C)C2,0,GDB ChEMBL
29669,CC1CCC2CCOC2C2CN12,0,GDB ChEMBL
260147,[O-]c1cc2cc(OCCO)ccc2s1,0,GDB ChEMBL
194406,CCOC12C[NH2+]C(C)CC1C2,0,GDB ChEMBL
218317,CC[NH2+]C1CC(C(O)COC)C1,0,GDB ChEMBL
23653,CC(=O)N(CCN1C(=[NH2+])NC2CC21)C(=N)N,0,GDB ChEMBL
214696,FC(F)(F)CCc1cc(Br)c(Br)c(Br)c1,1,GDB ChEMBL
200570,CC[NH2+]CC1=CCCC1OC,0,GDB ChEMBL
11222,CC[NH2+]C1CC(C)C2C(C)(OC)C12NC,0,GDB ChEMBL
360810,CCCC12CC(C)C(C)(O1)C2[NH+](C)C(C)C,0,GDB ChEMBL
153748,COCCC1(NC(C)=O)C[NH2+]C1CCO,0,GDB ChEMBL
169498,N#CC1COCC2CCN12,1,GDB ChEMBL
392486,N#CC(N)C1CC(O)C2CC1C(=O)N2,0,GDB ChEMBL
222178,N=CNc1nc(O)ccc1Cl,1,GDB ChEMBL
316150,CC1=CC(OCC#N)CC1CC(C)C,1,GDB ChEMBL
84244,CN1CC1S(=O)(=O)NC(CCO)C(N)=O,0,GDB ChEMBL
222895,C#CC(CC)C(C#C)(C#C)c1cccc(C)n1,0,GDB ChEMBL
20498,CC1C2(C=O)NS(=O)(=O)CC12C(O)C[NH+](C)C,0,GDB ChEMBL
260545,CC(C)CCC([NH3+])CC(C)C(C)C(C)C(C)C,0,GDB ChEMBL
3937,COCC([NH3+])C1OCCC1OC,0,GDB ChEMBL
273797,C=C1C2CC(C)CC(C2=O)C1OC,1,GDB ChEMBL
169061,CCNC(=O)NCC1NC1S(N)(=O)=O,0,GDB ChEMBL
367670,C#CCOC(C)(C)C1(C#N)CC(CC)CC1[NH3+],0,GDB ChEMBL
196700,CN=C1CNCC(O)C(C)O1,1,GDB ChEMBL
91174,CCc1c[nH]c(C2COC(C)C2CC(C)C)n1,0,GDB ChEMBL
320446,CC([NH3+])C1CC(C)C2CC1CNC2=O,0,GDB ChEMBL
91229,C#Cc1c(CC=C)ccc(Br)c1Br,1,GDB ChEMBL
120512,CN(C)c1nsnc1OC(=O)NC1CCC1,1,GDB ChEMBL
300718,NC(=[NH2+])C(C(=O)[O-])C1[NH2+]CC2OC21,0,GDB ChEMBL
43519,O=CNC(=O)C(O)C1CC1CO,1,GDB ChEMBL
244671,CC1=CC2CC(C)CC(C)(C)CC2CC1,0,GDB ChEMBL
174648,CCCCC1C(C)=CC2C(C)(OC)C12C,0,GDB ChEMBL
345745,NC(=O)NC(C[NH3+])CC1([NH3+])C(O)CC1O,0,GDB ChEMBL
65623,CCOC1(C(C)(C)C)CC(C)(CC)CCC1C,0,GDB ChEMBL
112777,COC1=NC(C)CCC(C)(CC(C)(C)C#N)N1,0,GDB ChEMBL
379700,C[NH+]=C(N)C1C(C)(C(=O)[O-])CC2OC21C[NH3+],0,GDB ChEMBL
272516,C#Cc1sccc1CC,1,GDB ChEMBL
220138,CCC1CC(C2C=C(C)CC2C)C(C)(C)C1,0,GDB ChEMBL
152050,CC(=O)OCCCC(C)CC#CC(C)(C)C,1,GDB ChEMBL
37180,CC([NH3+])CC1(C#N)COC1=O,0,GDB ChEMBL
75805,N#CC1C(C[NH3+])CNC2CC21C(N)=O,0,GDB ChEMBL
305567,O=C([O-])CNc1nc(CO)c[nH]1,1,GDB ChEMBL
44676,CCCCC1(OC2CC2)C=CCOC1,1,GDB ChEMBL
37303,c1nsc(N2CCCOCC2)n1,1,GDB ChEMBL
202001,CCCCNc1cncc(=O)n1C,1,GDB ChEMBL
349682,CC(C)[NH2+]Cc1c(CC[NH3+])nnoc1=O,0,GDB ChEMBL
248276,OCc1cc(Cl)cc2c1C1OC1CC=C2,0,GDB ChEMBL
353524,[NH3+]C(C(=O)[O-])C1NC1C1CNS(=O)(=O)C1,0,GDB ChEMBL
48138,CC1CCC(C(C=O)COS(N)(=O)=O)O1,0,GDB ChEMBL
266498,COCC(O)C1C(C)C1C(N)=O,1,GDB ChEMBL
120870,C#CC(C[c-]1oc(=O)cc1C)C(C)[NH3+],0,GDB ChEMBL
31394,C#CC(C)[NH2+]C1CC1CCCC(C)CC,0,GDB ChEMBL
53827,CC1C[NH+](C)CCCNC1C(C)(O)C#N,0,GDB ChEMBL
372530,CC1=CCCC23CCCCC2(CC1)C3,0,GDB ChEMBL
366936,[NH3+]C1CC2CN3C(COC2=O)C13,0,GDB ChEMBL
293783,CC([NH3+])C1C(O)CC(=O)N2CC([NH3+])C12,0,GDB ChEMBL
322837,CC1(C[NH3+])C([NH3+])C(O)C2CCCC21,0,GDB ChEMBL
119665,C#CC12CCC(CC[NH+]1C)C2,0,GDB ChEMBL
147215,CCC1CC(NC)C(CC=O)[NH2+]1,0,GDB ChEMBL
362576,CC1CC2C(=[NH2+])NCC(C(=O)[O-])[NH+]1C(C)C2O,0,GDB ChEMBL
155066,CC1(O)CC(CO)(CC(N)=O)C2C(=O)COC21,0,GDB ChEMBL
285077,CCC[NH2+]C(C)C1COC2C=CCCCC21,0,GDB ChEMBL
21863,CCC1=NCC(=O)O1,1,GDB ChEMBL
163415,CC(C(O)C1CN1)C1OCCCCC1C[NH3+],0,GDB ChEMBL
302632,CC1CC2(C(N)=O)CN2C1CC#N,0,GDB ChEMBL
312836,CC1(C(=O)[O-])NCC(=O)NC1=N,0,GDB ChEMBL
63094,Cc1cc(C)c2c(F)c(F)c(F)cc2c1,1,GDB ChEMBL
56670,CCC(C[NH2+]C)OC(=O)CN,0,GDB ChEMBL
166408,CCC12CC(O)C([NH3+])CC1O2,0,GDB ChEMBL
152606,CC1CN(CCN)C(=[NH2+])CC(N)=[NH+]C1C,0,GDB ChEMBL
115156,C[NH+]=CNC(C#N)CC(N)=O,0,GDB ChEMBL
191384,CC1C=CCC2CC(C)(CC[NH3+])CC2C1,0,GDB ChEMBL
332727,N#CC1CCC(c2cccc(F)c2)C1,1,GDB ChEMBL
204579,O=C1Cc2cccccccc1c2,0,GDB ChEMBL
118127,CCN1C=CC2(CO2)C1=O,1,GDB ChEMBL
383694,CCC1CCCC(CC)C2(CC)CC12CC,0,GDB ChEMBL
190272,Cc1cc2c(c(I)c1C1([NH3+])CC1)OC(C)C2,0,GDB ChEMBL
196723,NC(=O)C12CC1(CC[NH3+])C(O)CCC2O,0,GDB ChEMBL
83042,C[NH2+]Cc1ccc(N)c(C)sccn1,0,GDB ChEMBL
114994,CC1C2c3n[nH]cc3NC(=O)NC12CC[NH3+],0,GDB ChEMBL
164681,CC1(O)CCC=CCCC(=O)OC1,1,GDB ChEMBL
81477,C[NH+]1C2CCC([NH3+])C(OC(=O)C2)C1(C)C,0,GDB ChEMBL
252298,CC(C)C(C#N)N=C(N)Nc1cncnc1N,1,GDB ChEMBL
337114,[NH3+]CCc1cn(CCO)nc1-c1ccco1,0,GDB ChEMBL
140337,C#CC(C#C)CCc1cccc(Cl)c1,1,GDB ChEMBL
313746,CC1(C#N)CC2CC([NH3+])(COC2=O)C1,0,GDB ChEMBL
359167,C#CC(=O)N1C=C(C#N)C(CC)C1,0,GDB ChEMBL
317174,NC(=O)c1c(N)nc2ncnnn12,0,GDB ChEMBL
231088,CC(O)C1CC2CCCC2(C#N)N1C,0,GDB ChEMBL
375497,CN=C1OCC2CC1(NC(N)=O)CC2O,0,GDB ChEMBL
352226,CC1C2C(O)C(=O)CC(C(N)=O)N12,0,GDB ChEMBL
118863,CC1OCC([NH3+])C2CC(OC2=O)C1O,0,GDB ChEMBL
104726,CCC(C)C([NH3+])CC(C)(C#N)NC,0,GDB ChEMBL
312851,CC#CC12CCc3c(Cl)cccc3C1CC2,0,GDB ChEMBL
380594,CCC1=CCNc2[nH+]ccc(NC)c21,0,GDB ChEMBL
44358,N=C1OCC(C(N)=O)NC1C=O,0,GDB ChEMBL
160349,CCC(NCC(C)[NH3+])C1(CO)C[NH2+]C1,0,GDB ChEMBL
114810,CC(CO)[NH2+]C1CC(C)C2CC1C[NH2+]2,0,GDB ChEMBL
231108,[NH3+]CC(NC=O)C(NC=O)C(=O)[O-],1,GDB ChEMBL
75418,NC(=O)C1CC(O)C(O)(C[NH3+])C1N,0,GDB ChEMBL
70930,NC1(C[NH3+])COCC2CCOCCN2C1CO,0,GDB ChEMBL
378908,CC1=CC2CC(C1)CN(C)C(C(F)(F)F)C2,0,GDB ChEMBL
1510,C1=C(C2(C3CCC[NH2+]3)CCOC2)CC[NH2+]C1,0,GDB ChEMBL
101943,C[NH2+]Cc1cc(Br)cc(Br)n1,0,GDB ChEMBL
260538,COc1c([N+](=O)[O-])ccccc[nH]c1O,0,GDB ChEMBL
104501,COC(=O)C(C)(C)CC1(CO)CN1C,0,GDB ChEMBL
398189,COc1c(C=O)csc1OC(C)(C)C(=O)[O-],0,GDB ChEMBL
352808,CC1=CCC2(C)CC([NH3+])CC(O)C[NH+]2C1,0,GDB ChEMBL
356533,N#CC1(N)C(O)CC(CO)OC1CCO,0,GDB ChEMBL
23496,Oc1ncc(Br)c2c1N1CC(CC2)C1,1,GDB ChEMBL
203176,CC1[NH+]2CC3CCCC1(C)C3C2,0,GDB ChEMBL
317747,Nc1nc(C(O)C2CC(O)C2)cs1,1,GDB ChEMBL
353233,CCC(C)CC([NH3+])(C[NH3+])C1CC1,0,GDB ChEMBL
359090,CNC(=[NH2+])C(C)NC(CO)C(N)=O,0,GDB ChEMBL
161377,Cc1cc(N)cc(=N)c(=[NH2+])cc1CCCCO,0,GDB ChEMBL
67848,CC1C[NH2+]CC2OC1CC([NH3+])C2CC(C)(C)[NH3+],0,GDB ChEMBL
299181,CCC[NH+](C)CCC(CC(C)=O)c1ccoc1,0,GDB ChEMBL
271589,CC(C)COC1CC2(C)OC1CC2O,0,GDB ChEMBL
118371,COC1CCC2(CC1)C(C)=CC1=CCCC12,0,GDB ChEMBL
54780,CCC1CC(C)=CC2OC2C1[NH3+],0,GDB ChEMBL
351164,CCCc1c(F)cc(C)c(C2CC2)c1F,1,GDB ChEMBL
47410,CCc1cn(CCC=O)c(C)c1C,1,GDB ChEMBL
219509,C#CC1(C)C2CC2C(O)C1OC(C)=O,0,GDB ChEMBL
57297,NC(=O)NC1CCOC(C(=O)[O-])C2(O)CC12,0,GDB ChEMBL
144491,O=C1CCOC2C=C(CN1)COC2,1,GDB ChEMBL
377013,C#Cc1ncc(Cl)c2ccc(CO)c(CC)c12,1,GDB ChEMBL
328923,[NH3+]C1COC2(CC3CC2C[NH2+]3)C1C(=O)[O-],0,GDB ChEMBL
325254,CC(C(=O)[O-])S(=O)(=O)[N-]C(=O)CN,0,GDB ChEMBL
300731,CC1(C2CC[NH2+]C2)CC1CO,1,GDB ChEMBL
132217,CCC1C2CC[NH+]1C1CCCCC2CC1C,0,GDB ChEMBL
107021,COC1(CO)C2CC1NC(=[NH2+])N2,0,GDB ChEMBL
223988,NC(=O)C1NCC(O)CC(O)CN=CNC1=O,0,GDB ChEMBL
230427,COCC1=Cc2sc(C(N)=O)nc2CNC1,0,GDB ChEMBL
120519,Oc1c(Cl)cc2c(c1O)CCO2,1,GDB ChEMBL
213997,CC1CCC2=CC(O)C([NH3+])C21,0,GDB ChEMBL
115234,N#Cc1c(F)cc(N)cc1Cc1ncc([O-])[nH]1,0,GDB ChEMBL
317955,CCCCN(C)C(C[NH3+])(C[NH3+])C1CC[NH2+]C1,0,GDB ChEMBL
31078,COc1csc(OCC(C)O)c1CC(N)C#N,1,GDB ChEMBL
322924,O=C1NCC2C3C4CNC1C(O4)C23,0,GDB ChEMBL
122914,C[NH2+]CC1C=CC2C3COC(C(=O)N3)C2C1,0,GDB ChEMBL
36185,CCC(C)C1CC=CCC(C)C1C(F)(F)F,0,GDB ChEMBL
41149,CCC1CC[NH+](CC)C2C(N)C2C1,0,GDB ChEMBL
121756,CC1OCCCCC[NH+]=C1N,0,GDB ChEMBL
199071,NC(=[NH2+])NC1(C(=O)[O-])C2OCOC21,0,GDB ChEMBL
37664,C[NH+]1CC2(C)CCC1(C)CC1CC([NH3+])CC2C1,0,GDB ChEMBL
358929,N#CC1[N-]C(=O)C2(C(N)=[NH2+])COC1C(O)C2O,0,GDB ChEMBL
119822,CC1(C[NH3+])CC2CCC1C(C(N)=O)C2(C)C,0,GDB ChEMBL
173976,C#CC1C(C)CC(C)C(C)CCCN1C(C)=[NH2+],0,GDB ChEMBL
358224,C#CC(C)C(C)(C)Cc1c(F)ccc(C)c1C,0,GDB ChEMBL
245866,CCCC1C2CCCC(CCC2)C1C(C)(C)C,0,GDB ChEMBL
223965,CC1C2C[NH+](C1CO)C2CNC1CC[NH2+]C1,0,GDB ChEMBL
331463,C#CCC(=O)NC(=O)c1nc(C[NH3+])co1,0,GDB ChEMBL
140772,CC1C=CCOCC2C3C[NH+](C3)C2C1,0,GDB ChEMBL
77301,CC(C)C1C(O)C(O)C23CNC(=O)CC12O3,0,GDB ChEMBL
210446,CC1CC2CCCC3C1C=CC23,0,GDB ChEMBL
184486,C#CC(C[NH2+]C)OC1CC[NH+](C)C1(C)C,0,GDB ChEMBL
358947,COC(=O)C1C(C(O)CO)C1S(N)(=O)=O,0,GDB ChEMBL
2101,C1CC2[NH2+]C3COC2CC13,0,GDB ChEMBL
49141,CC(O)C(C(=O)[O-])C1(CC#N)CC1C,0,GDB ChEMBL
286156,CCCC1COc2cc(I)cnc2CO1,1,GDB ChEMBL
300012,C#CC(=O)C(O)C(CO)[NH2+]C,0,GDB ChEMBL
50890,CNC1(C(N)=O)CNC(N)=[NH+]C1,0,GDB ChEMBL
222788,CN(C)Cc1c(C#N)oc(N)nc1=O,0,GDB ChEMBL
59668,O=C([O-])CNc1cc([O-])on1,0,GDB ChEMBL
228793,CCOC1C=C(C(C)CC#N)C(CCO)C1,0,GDB ChEMBL
120572,NC1C(O)COC(=O)C12CC(CO)NC(=[NH2+])N2,0,GDB ChEMBL
60994,CC1Cc2ccsc2C2CC1(O)C2,1,GDB ChEMBL
84560,C#CCC1C2CCCC2C2CC[NH+]1C(C)CO2,0,GDB ChEMBL
388297,C#CCOC1Cc2c(cc(C)nc2CC)CO1,1,GDB ChEMBL
246833,C#CC1(C#C)OCCC([NH3+])C1CC[NH2+]C,0,GDB ChEMBL
196461,CCC([NH2+]CC(N)=O)C1(CC)CCC1,0,GDB ChEMBL
251936,CC1CC2(C1)OCCCCCCC2(C)C,1,GDB ChEMBL
76041,CC1(C)C=CCN(C(=[NH2+])CC(N)=O)C1,0,GDB ChEMBL
146048,COC12CCC[NH+](C)C(C)(C1)C2,0,GDB ChEMBL
185994,COC1C([NH3+])COC(=N)C1Cn1cnnn1,0,GDB ChEMBL
225415,C[NH2+]CC1CC2C(C#N)N2C(C)C1C,0,GDB ChEMBL
48479,CCC[NH2+]C(C)C(=N[O-])c1nn[nH]n1,0,GDB ChEMBL
294209,Nc1ncn(CCO)c1C(=O)[O-],0,GDB ChEMBL
41270,N#CC1OC2CC[NH2+]C(C1O)C2O,0,GDB ChEMBL
203314,CCC12CC(CC1CC(C)C)C1CCC(C)[NH+]12,0,GDB ChEMBL
153313,CC1=C(C(C)(C)C)C(O)CC(C)CC1=O,0,GDB ChEMBL
50912,CN(CC(C(N)=[NH2+])N1CCC1)c1ccsc1,0,GDB ChEMBL
156499,NC(=O)C(=O)N1CC(O)CC=CC1=O,1,GDB ChEMBL
246981,CC1C(N)C(=O)N(C=N)C(=O)C1CO,0,GDB ChEMBL
259105,C[NH2+]CCOC1(C(=O)N2CC2)CC1,1,GDB ChEMBL
247343,CC=C(CO)CC(CN1CC1)[NH2+]C,0,GDB ChEMBL
370350,CNC(=O)C1N2CC1(O)C=CCC2C=O,0,GDB ChEMBL
277103,Cc1ncc(CC[NH2+]CCC=O)c(Cl)n1,0,GDB ChEMBL
216572,NC(=[NH2+])C1C(=O)NCC2OC21,0,GDB ChEMBL
337830,CCCC1[NH+]2C(CC)CC1(C)C(CC)C2C=O,0,GDB ChEMBL
35330,CCC1=CC[NH+](CC)C1(C)CC(C)C,0,GDB ChEMBL
99123,C[NH2+]C1CC2OCC1(C#N)CN(C)C2CC[NH3+],0,GDB ChEMBL
269211,CC1=[NH+]CC(C#N)CC(C=O)N1,0,GDB ChEMBL
376708,CCC(CC)C1(C(CC)C(C)(C)CC)CC1,0,GDB ChEMBL
190406,COC1C(C)CC([NH3+])C(C[NH3+])NCC2OC21,0,GDB ChEMBL
354615,CCC(OC)c1c(C[NH3+])ncc(O)c(=O)c1C,0,GDB ChEMBL
310789,CC1=CCC2CC(C[NH3+])C1C2,0,GDB ChEMBL
96079,CC1CC(c2ccc(C(C)(C)C)c(Cl)c2)C1,1,GDB ChEMBL
130439,CC(=O)N(C(=N)N)C1C(N)C([NH3+])C(O)C1C#N,0,GDB ChEMBL
321437,CCC1(C)CC2C[NH+](C)C3CC3C2(C)C1,0,GDB ChEMBL
133354,C#CC(CO)C12[NH2+]CCC1N(C)CCC2CC,0,GDB ChEMBL
152482,CC[NH2+]C(CC)CCC(CC)CC,0,GDB ChEMBL
97784,C#CC([NH3+])(CCNC=[NH2+])Cc1ccnc(N)c1,0,GDB ChEMBL
79368,COC(=O)N1CC12CCC([NH3+])C2O,0,GDB ChEMBL
109224,C#CCC1(CC(C)CC)CCCCCC(C)C1,0,GDB ChEMBL
393536,CCC(O)c1c(F)ccc(F)c1C(C)CCO,1,GDB ChEMBL
355762,CC1CC1C(O)(C(F)(F)F)C(F)(F)F,1,GDB ChEMBL
289235,NC(=O)OCC1=CC(O)CCS(=O)(=O)N1,0,GDB ChEMBL
103932,CC([NH3+])CC(O)C1(C#N)CC(O)CN1,0,GDB ChEMBL
282194,Cn1cc2nc(C[NH3+])cc3c2c1C(N)=NC=C3,0,GDB ChEMBL
277689,C=C1COCCOC1CC(C)(C)C,1,GDB ChEMBL
98637,O=CNc1cc(C(=O)n2ccnc2)ccc1O,1,GDB ChEMBL
208223,O=C1OCC2NC(CO)COC12,0,GDB ChEMBL
319307,CC1[NH2+]CC2NC(CO)C(O)C21,0,GDB ChEMBL
50875,CC([NH3+])C1NC(=O)C([NH3+])CC(C(=O)[O-])NC1=[NH2+],0,GDB ChEMBL
284362,O=C([O-])CCC1=CC2(O)CNC2C1=O,0,GDB ChEMBL
277753,Cc1cc2nccc(C)c2c(C)c1Cl,1,GDB ChEMBL
11431,CN1CC[NH+](C)C2C=CC1C2,0,GDB ChEMBL
214386,CC([NH3+])C1C(=N)OC1CC(N)=O,0,GDB ChEMBL
61856,NC(=O)C1OC2C(C([NH3+])C(=O)[O-])COC12,0,GDB ChEMBL
334059,Cc1csc(=N)n1C(=O)NC(=O)C(O)C(C)C,0,GDB ChEMBL
18635,CC(=O)C1C2CCC[NH2+]CC(C2)N1C,0,GDB ChEMBL
258018,CCC(C)C1[NH+](C)C(C)C2OC21C,0,GDB ChEMBL
304112,CCOC(=O)C1COC1C#N,1,GDB ChEMBL
115430,CCC1CC2(CCC2)CC(C)C=C1C,0,GDB ChEMBL
206780,CCC(C(C)C)C1C(C)[NH+]1CC,0,GDB ChEMBL
175841,CC([NH3+])CC(O)C[NH+]=CNCC(O)C(O)CO,0,GDB ChEMBL
255367,O=C([O-])CCOCc1cnc(Cl)oc1=O,0,GDB ChEMBL
121062,Nc1c(=O)[nH]c(C2CC2)c2sccc12,1,GDB ChEMBL
331167,C#CC1=CC(=O)CCCC=C1CCC,0,GDB ChEMBL
36170,CCc1c(Br)ccc(C2(C)CCC2)c1C,1,GDB ChEMBL
216515,C[NH2+]C1CC([NH3+])C12CC(C)CC2O,0,GDB ChEMBL
380363,CS(=O)(=O)[N-]c1c([O-])cncc1Br,0,GDB ChEMBL
124501,CCC(CO)CCC1CC12CCC[NH2+]2,0,GDB ChEMBL
99101,CC1C(CO)N1C1CCCOC1,1,GDB ChEMBL
215680,CC1(C)CNC(=O)C([NH3+])COCO1,0,GDB ChEMBL
98614,CCCC1CC2CCC(C1)C21CCCCC1C,0,GDB ChEMBL
64112,Cc1cncc(N)cscc1OC(C)C,0,GDB ChEMBL
160828,CCC1(CCC(C)C)C(CC(C)C)C1(C)C,0,GDB ChEMBL
161761,[NH3+]CC12CN1C(C(=O)[O-])C1CCOC12,0,GDB ChEMBL
67810,CC(C)[NH+]1CC(COC(C)(C)C)C1C,0,GDB ChEMBL
18344,NC(=O)C1OC(CCO)C2C(C[NH3+])C12,0,GDB ChEMBL
84205,CCC1OC(=O)C(NC=[NH2+])C1O,0,GDB ChEMBL
58962,CCC(C[NH3+])(C(N)C(=O)[O-])C(O)S(N)(=O)=O,0,GDB ChEMBL
118169,CCCC#CC(O)CCC1(C)COC1,1,GDB ChEMBL
318152,[NH3+]C1CCOC(=O)N2C(CS(=O)(=O)[O-])C12,0,GDB ChEMBL
124136,NC1COCC(N)C(=O)NC1=O,0,GDB ChEMBL
304113,C#Cc1cc(N(CC)C(C)C(C)C)ncc1Cl,1,GDB ChEMBL
17456,CC1(C)CC(CCC#N)(C2CC2)CO1,0,GDB ChEMBL
6507,CC(C)CN(C=[NH2+])C(=[NH2+])NC(C)C,0,GDB ChEMBL
324090,CCN(C)Cc1nc(NC)c[nH]1,1,GDB ChEMBL
193759,C1=C(C[NH2+]C2CC2)CCc2sccc21,0,GDB ChEMBL
309139,CCC1C2CC=C(CC2)C[NH2+]C2CCCC21,0,GDB ChEMBL
112392,CC(C#N)NC(C=O)C1(C)CC=CC1O,0,GDB ChEMBL
323303,CCc1c[nH]cc(C(C)(C)C)cncn1,0,GDB ChEMBL
10581,CNC1=[NH+]CCc2ccc(C(C)C)cc2N1C,0,GDB ChEMBL
77069,O=CN1C(=O)OC(CO)CC1Cn1cnnc1,0,GDB ChEMBL
369890,CC12CC3CC(O)C4(C(=O)N1)C3C24,0,GDB ChEMBL
75433,C[NH+](CC1CC1)C1CC([NH3+])C1,0,GDB ChEMBL
317972,COC(C(=O)[O-])C1(CO)CS(=O)(=O)[N-]1,0,GDB ChEMBL
185295,CC[NH2+]C1CC2CC(C)C(C1)C(C)([NH3+])C2,0,GDB ChEMBL
151757,Cc1cc(Cl)cnc1N(C)CC(O)C[NH3+],0,GDB ChEMBL
17485,C[NH2+]C1C2NC(=O)C(C[NH3+])OC21,0,GDB ChEMBL
225874,CC[NH2+]C1CCC2(C)CCC2CC(C)C1,0,GDB ChEMBL
310122,C1CC2C3C1CN1CC3OCC21,0,GDB ChEMBL
227623,CNC(=O)OC1CC(=O)OCC(O)C1C(N)=O,0,GDB ChEMBL
123006,Cc1nccc2cc(NC=[NH2+])cnc12,0,GDB ChEMBL
140786,NC(=O)C1C2[NH2+]C1C(O)C(O)C2O,0,GDB ChEMBL
101874,CCS(=O)(=O)NC(C[NH3+])c1ncon1,0,GDB ChEMBL
75003,CC(C)COC(=N)CC1C=CCN(C=O)C1,1,GDB ChEMBL
347988,CN1CC2(COC1=O)[C-](C#N)C(=O)C2O,0,GDB ChEMBL
195433,Nc1cncc(F)c1C(C[NH3+])N1CC1,0,GDB ChEMBL
378266,CC(C[NH3+])C1c2ccccc2CCN1C(N)=O,0,GDB ChEMBL
131902,COc1ncccc1N=C1CCO1,0,GDB ChEMBL
330902,C#CC(C#C)CCCCC1(CC#N)CCCC1,0,GDB ChEMBL
33107,COc1cc2cnoc2cn1,1,GDB ChEMBL
228766,CCC(C)N1C(C)C2CCC[NH+]2C2C(C)C21,0,GDB ChEMBL
304890,CCC(CC)C(C)=CC1=CCCC1,1,GDB ChEMBL
285614,C[NH+]1CCC=CCC=CCCCC1,0,GDB ChEMBL
365708,CC1(C)CC2(CCO)C[NH+]1CCCN2,0,GDB ChEMBL
177109,CCN(C)c1ccc2c(c1)C(C)(OC)CC2,1,GDB ChEMBL
225224,CC1=CC(c2ccc(C)cc2)C(C#N)C1C,0,GDB ChEMBL
378285,CCC1=CC(CC(C)O)CC1CCCO,0,GDB ChEMBL
136714,CCC12CC(O)C(OC)(C(=O)[O-])C1(C#N)N2,0,GDB ChEMBL
194241,O=C(NCCCO)c1cn[n-]c1[N+](=O)[O-],0,GDB ChEMBL
11746,N#CC(CNC(N)=[NH2+])C(O)C[NH3+],0,GDB ChEMBL
65592,CCc1c(Cl)ccc(Cl)c1CC(C)OC,1,GDB ChEMBL
346829,COC1(C(=O)[O-])C(O)COCC1(C)[NH3+],0,GDB ChEMBL
301473,CC(CO)N(C)C(=[NH2+])N(C)C,1,GDB ChEMBL
195229,CC(O)C1CC(C2CC2O)C(C(=O)[O-])[NH+]1C,0,GDB ChEMBL
43566,C#CCCc1cc(C)cc(C#CCC)c1,1,GDB ChEMBL
294761,C#CC1(C(N)=O)CCC(C#N)CN1,0,GDB ChEMBL
281156,COCC1CC(O)C2C(N)(CO)C12C#N,0,GDB ChEMBL
165968,C#CCC(=O)NCCCC,1,GDB ChEMBL
297254,CC(O)CC([NH3+])CC12COC(=O)C1N2,0,GDB ChEMBL
397034,CCC(CCO)CC1(C)CCC1,1,GDB ChEMBL
61247,CC1CC2CC3CC[NH+]1CCC2O3,0,GDB ChEMBL
149990,CC(=O)N(C)C(=N)Nc1nnn(C)n1,1,GDB ChEMBL
243785,CC(C)Nc1ncc(N)c(=O)o1,0,GDB ChEMBL
115973,CCCOC(=NCCC(N)=[NH2+])NC(N)=[NH2+],0,GDB ChEMBL
270081,[NH3+]C(CO)C1OC12CCC2,1,GDB ChEMBL
274229,CC[NH+]1C(C)C(C)C(C(C)C)C(CO)C1C=O,0,GDB ChEMBL
118110,CC(C)[NH2+]C1CC2(C1)CC1CC1C2,0,GDB ChEMBL
140101,CN(CC[NH3+])C1C([NH3+])CC2OCOC21C,0,GDB ChEMBL
304157,C#CC1C=CC(C)CC(C)C1[NH2+]C,0,GDB ChEMBL
392707,CC1CN1C(CNC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
264925,[NH3+]CC12CCC(COC1C(O)CCO)C(=O)O2,0,GDB ChEMBL
118667,N#CC[NH+]=C(N)[C-](C#N)C(=O)[O-],0,GDB ChEMBL
128280,CC1CC2CCCC2(C)C(C)C(C)CCC1O,0,GDB ChEMBL
19648,C[NH2+]CCOC1CS(=O)(=O)NCC(=O)O1,0,GDB ChEMBL
13140,CCN1CCOC(=NCCC(F)(F)F)C1,1,GDB ChEMBL
173859,CCC1(O)C=CCCC(C)(C)CCC=C1,0,GDB ChEMBL
347003,C#CCC1CC(C)(CCCC)C(C#C)C1CC,0,GDB ChEMBL
182534,N#CCCn1cnc(C2CC2[NH3+])c1N,0,GDB ChEMBL
229442,Cc1nc(C#CCN2CC(C)(C)C2)cs1,1,GDB ChEMBL
284313,N=C(CCC(N)=[NH2+])Oc1ccncn1,0,GDB ChEMBL
189779,CCC12CCCC1C=C(C)C2CC(C)(C)C,0,GDB ChEMBL
372786,N#CC1(CCO)NCC(O)C(N)C1N=C(N)N,0,GDB ChEMBL
378096,CC12CCC(CCC3=CCCC31)CC2,0,GDB ChEMBL
275477,CCC(C)(CC(=N)NC(=O)CO)OC,1,GDB ChEMBL
27775,C[NH2+]C(CC1CC=CCC1)C1CCC1,0,GDB ChEMBL
380291,CC1(C(O)C[NH3+])OCCC=CCCO1,0,GDB ChEMBL
296055,CC1CNS(=O)(=O)C2C([NH3+])C2(O)C1C(=O)[O-],0,GDB ChEMBL
314956,CCCC(C)(C=C(C)C(C)C)CC,1,GDB ChEMBL
302450,CCC(CC)C1C=C(C)CCO1,1,GDB ChEMBL
124758,N=C1NC(=O)N2CCCN(CCOC1=N)CC2,1,GDB ChEMBL
334758,CC(C[NH3+])(C[NH3+])C1C(=O)NCCN1C(N)=O,0,GDB ChEMBL
95572,CCCc1nc2ccc(O)c(NC)c(=N)n2n1,0,GDB ChEMBL
305791,C#CC1C(=[NH2+])NC2CC[NH+](C)C(C2O)C1(C)O,0,GDB ChEMBL
22602,CCC(C)OC(C)C1CC1[NH+](C)C,0,GDB ChEMBL
99855,CC1CC(CO)C2(O)C(C)C2OC1=O,0,GDB ChEMBL
227588,CCCC1CC2OCC1([NH3+])C2C(C)(C)C,0,GDB ChEMBL
67633,CCC1(C2CNc3cc(I)ccc32)CC1,1,GDB ChEMBL
392768,CC(=N)NC(=O)CC[NH2+]C1CNS(=O)(=O)C1,0,GDB ChEMBL
216473,C[NH2+]C1CS(=O)(=O)CCCOC(=N)CC1(C)O,0,GDB ChEMBL
277543,C1CCC(C[NH+]2C3CC2C3)C1,0,GDB ChEMBL
383715,CC[NH2+]C1CC(N)C([NH3+])C(CO)C1C(=O)[O-],0,GDB ChEMBL
115577,CC1(O)C(=O)[N-]S(=O)(=O)C2C1C2([NH3+])CO,0,GDB ChEMBL
381474,COC(=O)CC1CC(O)S(=O)(=O)N1,0,GDB ChEMBL
6842,CC1OC(C)C2OC(N)=[NH+]CCC1NC2=O,0,GDB ChEMBL
281948,CC1C(O)C2CC(C#N)C1C2,1,GDB ChEMBL
45021,CCCC(CO)CCc1nc(C)c(O)nc1N,0,GDB ChEMBL
263175,CC(C[NH3+])N1CC([NH+](C)C(C)C)CCC1(C)C,0,GDB ChEMBL
229454,CC(=O)Nc1cn2c(n1)CC1(CC[NH2+]1)C2,0,GDB ChEMBL
320801,CC(=O)c1ccncn1,1,GDB ChEMBL
204316,CCC1(COS(N)(=O)=O)COC(=[NH2+])N1,0,GDB ChEMBL
210233,Fc1ccc2snc(C3CC3)c2c1F,1,GDB ChEMBL
280696,CC[NH+](C(C)C)C1(C(O)C(C)(C)C#N)CC1,0,GDB ChEMBL
20516,CCC1=CCC(C)COC1,1,GDB ChEMBL
385615,CC=CC(C[NH2+]C1CC1)C1CCC1,0,GDB ChEMBL
77552,CC1CC2NC(=O)CNC(C)C2(C#N)O1,0,GDB ChEMBL
130218,NC(=O)NC(=O)Cc1ccc(CC[NH3+])nc1F,0,GDB ChEMBL
289804,CC#CC1([NH+](C)C(C)CC)CC(C)CC1C,0,GDB ChEMBL
374069,CCC(C[NH+]=C(N)NC)c1cnc(NC)s1,0,GDB ChEMBL
26027,C#CC1C[NH+]2C(CC(C)C2CCC)CC1[NH3+],0,GDB ChEMBL
352607,NC(=O)C12CC1C(CO)NCC2=O,0,GDB ChEMBL
391766,COC(=[NH2+])NC1C(O)C1NC(N)=O,0,GDB ChEMBL
161427,CCC1CCc2cc(Br)cc(C)c2C(C[NH3+])C1,0,GDB ChEMBL
338639,CC1OCC(C#N)C1(O)C(=O)N1CCCCC1,1,GDB ChEMBL
179330,CC(=O)C(C#N)(CNC=O)C(N)=[NH2+],0,GDB ChEMBL
352671,CCC1CC2C(C)C=CCCC23CCCC13,0,GDB ChEMBL
97143,CC[NH+](C)CC1=CNC(=[NH2+])C1,0,GDB ChEMBL
225830,[NH3+]CC1C(=O)NC2CC([NH3+])C1C2O,0,GDB ChEMBL
288717,Cc1ccnc(N)cn(Cc2nn[n-]n2)cn1,0,GDB ChEMBL
162511,CCC[NH+]1CC(C)C12COC2,0,GDB ChEMBL
117447,C[NH2+]CCC(C)c1cc(C)c(C)c(I)c1,0,GDB ChEMBL
178047,C#CC(C[NH+]1CCC(C)C1)OC,0,GDB ChEMBL
309623,CCC1(C)CC1c1cc(Br)ncc1CO,0,GDB ChEMBL
333891,[NH3+]CCN1CC(O)C([NH3+])CCCS1(=O)=O,0,GDB ChEMBL
315236,C[NH2+]C(CC#N)CCNc1nnnnn1,0,GDB ChEMBL
136096,C#CC(CCCC#N)C(CC)(CCC)CCC,0,GDB ChEMBL
715,COC(C)(CO)C1CCCC1(C)C=O,0,GDB ChEMBL
342398,CCCC1CCCC(C)C2CC(C)CC1C2O,0,GDB ChEMBL
383298,CCc1c(F)ccc2c(F)ccc(F)c12,1,GDB ChEMBL
276037,CCC1C(C)C=CC(C(F)(F)F)C1(C)O,0,GDB ChEMBL
35481,CC1[NH2+]C2CC(C)(CCCC2C)CC1=O,0,GDB ChEMBL
337928,CC1OC2CC(CC2C)C1=O,1,GDB ChEMBL
281142,CC(=O)CN=C(C)OCC(C)[NH2+]C1CC1,0,GDB ChEMBL
129587,CC[NH+](C)CC(C)(C)N1CCC1,0,GDB ChEMBL
142955,CN=C(Nc1ccon1)c1ocnc1C(=O)[O-],0,GDB ChEMBL
41335,CC(O)(CC1CC1)c1ncccc1Cl,1,GDB ChEMBL
259102,CC(C)(O)CC1(CO)CC(NC(N)=O)C1=NO,0,GDB ChEMBL
170447,Nc1coc(C(=O)[O-])c1NC(C[NH3+])CCC[NH3+],0,GDB ChEMBL
179304,CC(C)C1N2C(=O)CCC12C,0,GDB ChEMBL
396711,CNC(=O)C12OC1C(C[NH2+]C)NC2=O,0,GDB ChEMBL
305270,CC12CC(O)C([NH3+])(C(=O)[O-])C1C(O)C(=O)N2,0,GDB ChEMBL
207339,O=C([O-])CN1C(CCO)CC1C(O)CO,0,GDB ChEMBL
254917,COC(CO)C1C([NH3+])CS(=O)(=O)NC1C#N,0,GDB ChEMBL
330121,COC12C=CC(C1)C(C#N)CC2C(C)C[NH3+],0,GDB ChEMBL
186596,COCC(CC(=O)C1C2CCN1C2)C(=O)[O-],0,GDB ChEMBL
93103,C[NH2+]CC(N)CC1(O)CNC(=O)C1O,0,GDB ChEMBL
114395,NS(=O)(=O)OCC([NH2+]C1CC1O)C(=O)[O-],0,GDB ChEMBL
258250,CCCCC(CC1CC[NH+]1C)C1CC1,0,GDB ChEMBL
378248,CC1=C(C#N)C2NCCN(CC#CC1)C2=O,0,GDB ChEMBL
201148,CCC1(N)C(=O)NCC(C)NC1C(C)C(N)=[NH2+],0,GDB ChEMBL
247618,CCCc1ccc(=O)c(CCC)c(C)c1C=O,1,GDB ChEMBL
36202,CC1CCC(OC(N)=O)COC1,1,GDB ChEMBL
65625,CN=CN1C(=N)NCCOC(CC(C)O)C1=O,1,GDB ChEMBL
358240,[NH3+]C1C2C(O)CN3C(=O)OCC123,0,GDB ChEMBL
274006,CC(CC#N)CNc1nc(N)cn1C=O,1,GDB ChEMBL
296074,CCC#Cc1cn2ncc3cc(C)nc1c32,0,GDB ChEMBL
273858,CC1CC([NH2+]CCO)C2OC12,0,GDB ChEMBL
209889,N=c1sc(CO)c(C2CCC[NH2+]C2)c(Cl)c1N,0,GDB ChEMBL
334632,CCCC(C)C1C(C)CC2C[NH2+]C1C2,0,GDB ChEMBL
56652,CC1=C(C)CCC(OCC[NH3+])C=CC1,0,GDB ChEMBL
137435,CCCC1C2COC1(C)CO2,0,GDB ChEMBL
319199,CNC(=O)C(O)C1NCC(=O)OCC(C)C1C,0,GDB ChEMBL
29020,CC(O)C1C2N1CC(C(=O)[O-])NS2(=O)=O,0,GDB ChEMBL
278019,C[NH2+]CC1(C(C[NH3+])C(=O)[O-])CCO1,0,GDB ChEMBL
339050,CC1CC2CCC1C1CC[NH2+]C21,0,GDB ChEMBL
253616,CC(=O)NC1=CC(=O)C2(CC2)OC1,1,GDB ChEMBL
169489,CCC(CC[NH3+])(C(N)=O)C(O)C#CC#N,0,GDB ChEMBL
306350,C#Cc1cc(C(=O)CCCCCC)ccc1I,1,GDB ChEMBL
304307,CCc1cc(C(N)=O)c(I)c(CO)c1O,1,GDB ChEMBL
304475,CC1OCC2[NH2+]CCC1C21CN(C)C1,0,GDB ChEMBL
256147,C#CC[NH2+]CC1C(C#N)N1C(=O)C[NH3+],0,GDB ChEMBL
95615,CC#CCc1cc(N)c(C(C)C)c(Br)c1,1,GDB ChEMBL
295869,C[NH2+]C1C=CCCC(C)C([NH3+])C(CO)C1O,0,GDB ChEMBL
305519,C#CC1C(=O)C(NCC#N)C(=O)C1(C)CCC,0,GDB ChEMBL
210452,CCN=C1OC(C[NH3+])(C(=O)[O-])C(O)C1C(N)=O,0,GDB ChEMBL
131853,CC1(C)CCC2(C[NH3+])C(C(=O)[O-])C(C)(C)C12,0,GDB ChEMBL
60930,CC#CC1=CCC(C)CC(C[NH3+])(CCC)C1,0,GDB ChEMBL
363570,C[NH2+]CC(O)(CS(=O)(=O)[O-])C(=O)[O-],0,GDB ChEMBL
124293,COC12C[NH+](C)CC1NC2CO,0,GDB ChEMBL
16055,CC[NH2+]C(CC)(C1CO1)C1CO1,0,GDB ChEMBL
173189,O=C1NC2CCC1C(CO)C2CO,0,GDB ChEMBL
330948,Cc1cnc(CC2CC2O)s1,1,GDB ChEMBL
296345,Cc1cc2c([nH]1)C(C)(C)C(C[NH3+])CC2O,0,GDB ChEMBL
207304,CCNC(NC(=N)COC(=O)NC)=[NH+]CCO,0,GDB ChEMBL
304596,C[NH+]1CCC2C=CCC2(CC(C)(C)O)CC1,0,GDB ChEMBL
227961,[NH3+]CCCn1nnc(C[NH3+])c([O-])c1=O,0,GDB ChEMBL
255157,CC1C2CC(C#N)NCC[NH+]1C1CC21C#N,0,GDB ChEMBL
71694,N#CCCOCc1cc(Cl)cnc1C[NH3+],0,GDB ChEMBL
333859,CC([NH3+])CNC1(CO)CC1C,0,GDB ChEMBL
310797,CCC(C)Oc1cc(I)nc(CC(C)[NH2+]C)c1,0,GDB ChEMBL
252866,CC(=O)CC1(C#N)C=C(C#N)C[N-]C1=O,0,GDB ChEMBL
258022,CCCCC1CC2CC13CC3[NH2+]2,0,GDB ChEMBL
50255,CCOC(=O)NC1CCCC(OC=N)C1O,1,GDB ChEMBL
288655,CCCn1nnn(CC(=O)NC)c1=N,1,GDB ChEMBL
121112,C#CC1(CO)OC1C([NH3+])C(=O)[O-],1,GDB ChEMBL
227536,CCC1C2C[NH2+]C(C2)C2OC12CO,0,GDB ChEMBL
278011,OC1CC[NH2+]C2CC3CCC2C1[NH2+]3,0,GDB ChEMBL
240374,N#CC(C(N)=O)C(NC(=[NH2+])CO)C(=O)[O-],0,GDB ChEMBL
115016,CCOC1CC[NH2+]C(C)CC1,0,GDB ChEMBL
366613,C[NH+]1CC2(OCCO)C3CCOC32C1,0,GDB ChEMBL
76970,CC(C)COC(=O)CC1(C)C[NH+]=CNCC1C,0,GDB ChEMBL
94649,CN(C)CC1NS(=O)(=O)C2(C)NC(=O)C(O)C12,0,GDB ChEMBL
207706,CC(=O)C(C)C(CC#N)n1ccc(C(N)=[NH2+])c1,0,GDB ChEMBL
124570,CCCC12CCC(C[NH2+]CCO1)NC2,0,GDB ChEMBL
203487,CCC(CCC1OCC(=O)O1)S(C)(=O)=O,0,GDB ChEMBL
318165,CCC(C1COC(=O)N1)N(C(N)=[NH2+])C(=O)NC,0,GDB ChEMBL
362180,CC1[NH2+]C2CC(C[NH3+])C13OC3C2,0,GDB ChEMBL
127195,CCC(=O)COC(N)=O,1,GDB ChEMBL
170122,CC1OCCCC2C(O)C=CC12C,0,GDB ChEMBL
89671,CC[NH2+]Cc1ccc2c(c1Cl)C(C)=CCC2,1,GDB ChEMBL
233894,CN1CC(CNC(N)=[NH2+])N(C)C1=[NH2+],0,GDB ChEMBL
195405,CC1(CO)OC(=O)NCC1C(=O)OCC#N,0,GDB ChEMBL
127486,CCC(C)C(CC(C)C)C1(O)COC1,0,GDB ChEMBL
149330,c1cc(NC2CC2)c[nH]1,1,GDB ChEMBL
115926,CCOC(=N)c1c(C)nnn1CCC(N)=O,1,GDB ChEMBL
204328,[NH2+]=C(NCCO)C(C[NH3+])CO,0,GDB ChEMBL
300201,CC1[NH2+]CC(C)(C)OC1C,0,GDB ChEMBL
254960,C#CC1=CC(CO)CC(CCO)(OCC)C1,0,GDB ChEMBL
361648,CC(O)C1C([NH3+])COC(=O)N1S(C)(=O)=O,0,GDB ChEMBL
322934,CC=CC1(CC)CC1[NH2+]CC(N)=O,0,GDB ChEMBL
230726,C#CC(C)COCCC1CC=CCC1,1,GDB ChEMBL
210727,CCOc1oc(C[NH2+]C)cc(=O)c1C(N)=O,0,GDB ChEMBL
356534,N#CC(O)C([NH2+]CCCC=O)C(=O)[O-],0,GDB ChEMBL
382493,CCC(C[NH2+]C)C1C[NH+](C)C1,0,GDB ChEMBL
44064,CS(=O)(=O)[N-]C(=O)c1c(O)c[nH]c1N,0,GDB ChEMBL
204489,C#CCCC(=CCC(C)C)C(=C)C,1,GDB ChEMBL
396775,CC12C[NH+]3CCC(CC1[NH2+]CCCC2C[NH3+])C3,0,GDB ChEMBL
382582,CCC1CC(C)CCC(CC)C(CC(C)C)C1,0,GDB ChEMBL
36017,CC(NC(=O)CO)C1=CC(O)CC2OC12,0,GDB ChEMBL
201460,Cn1cc(N)c(C(NC=O)C(=O)[O-])n1,0,GDB ChEMBL
389069,C[NH2+]C(C)C1=C(C(=O)[O-])N(C=O)C(C)C1,0,GDB ChEMBL
262572,Cc1ccc(C(C)C)c(O)c1C(C)(C)CC=O,1,GDB ChEMBL
174822,CCC1C2CCC(=O)CC2CC1(C)CC,0,GDB ChEMBL
299553,CCCC1C(C)C(C)CC(CO)C1C(F)(F)F,0,GDB ChEMBL
216595,CC(O)C1NCC2OC(C(N)=O)CC1NC2=O,0,GDB ChEMBL
356829,CCn1ncc([O-])c1C=O,0,GDB ChEMBL
217041,C#CC(C#C)(C#C)NCCCO,0,GDB ChEMBL
201026,CC1CC2OCC(=O)C2C2(C)CCCC12,0,GDB ChEMBL
358411,C#CCC(CNC(C#N)CC)c1cncs1,1,GDB ChEMBL
377003,CCC12CC1(C(C)[NH+](C)C)CC(O)CC2C,0,GDB ChEMBL
201352,CCC1=[NH+]CCC(C(OC)C(=O)[O-])C(CN)N1,0,GDB ChEMBL
397091,CC1(CO)CNC(=O)C1[NH3+],0,GDB ChEMBL
44966,CCCC1CC1OCC1CC1,1,GDB ChEMBL
40884,CC1CCOCCC2(C1)CC1CCCC2C1,1,GDB ChEMBL
71677,COCC[NH2+]CC12CCC(C1)C(C#N)(C#N)C2,0,GDB ChEMBL
235658,CCCCCC1=C(CC)C(C2CC2)CC1C,0,GDB ChEMBL
17620,O=C1NC(CO)COC(=O)C1=NO,1,GDB ChEMBL
34890,CC(N)C(=O)N(C)C(=O)C1(C(=O)[O-])CCC1,0,GDB ChEMBL
233460,[NH3+]C1CC2CC1C(=O)NCC1CN21,0,GDB ChEMBL
120660,CC#CCC(C)[NH2+]CC(=O)C(C)(O)C(N)=O,0,GDB ChEMBL
306401,C#CCCCCC(C)(C)CC1(C)CC=CC1,0,GDB ChEMBL
18376,N#CC12COC(CC(=O)[O-])C1O2,1,GDB ChEMBL
22520,[NH3+]C1C(=O)NCC2C(C1O)C1CN1C2CO,0,GDB ChEMBL
335519,NC(=O)CC1(N)C([NH3+])C(O)C(O)C1CO,0,GDB ChEMBL
54111,COC(=O)Nc1c[nH]c(C)c1,1,GDB ChEMBL
248237,CC1=CCCC(C)(C)CCC2(CC2)C1,1,GDB ChEMBL
266488,CCOC1C2N=C(C([NH3+])C(=O)[O-])NC21,0,GDB ChEMBL
399009,CCC1[NH2+]C2CC1(O)C[NH+]1CCCC21,0,GDB ChEMBL
66739,COC1(C(C)=O)C=C(C)CCC=CC1,0,GDB ChEMBL
260754,Cc1c(Cl)cccc1C1CC1C(C)(C)C,1,GDB ChEMBL
157051,CCN(CC)C(=O)NCC1=CCNC1C#N,1,GDB ChEMBL
190844,CC(O)C(C[NH+](C)CCS(=O)(=O)[O-])=N[O-],0,GDB ChEMBL
29687,N=C1OCC2(CC2C(=O)[O-])C1[NH3+],0,GDB ChEMBL
251446,O=C1NC=NC2CC(C2)N1CCCO,0,GDB ChEMBL
69595,[NH3+]C1CC[NH2+]CC2NC(=O)OC12,0,GDB ChEMBL
244332,CC1C2CCCC(C)(C2)C1C(F)(F)F,0,GDB ChEMBL
99389,CNC1=[NH+]C(C#N)(C(C)O)C2CCOC2CN1,0,GDB ChEMBL
122853,COc1nc(CCCO)n2c1C(N)=[NH+]CC2,0,GDB ChEMBL
240830,CCC(C)OCC(C)NC1CC1[NH2+]C,0,GDB ChEMBL
347892,C1CCCC2OC2CCC1,1,GDB ChEMBL
369280,CCCCC1CCC(C2CC[NH2+]2)N(C)CC1,0,GDB ChEMBL
233468,C[NH2+]C(C=O)C1CC(C(=O)OC)C(C#N)N1,0,GDB ChEMBL
259395,CC(C)CC[NH2+]CC1=CC(=O)CCC1C,0,GDB ChEMBL
50319,CN1CC2Cn3ccc(N)c3N2C1=O,1,GDB ChEMBL
366505,CN=C(N)NC(=O)OC(CCO)CCC[NH3+],0,GDB ChEMBL
18703,CC[NH+]1CCCC1C1(N)C2CC(C#N)C1C2,0,GDB ChEMBL
71405,N#CCCNc1[nH]ncc1CC[NH3+],0,GDB ChEMBL
175882,CC1(CO)OCCC2CCC1C2,0,GDB ChEMBL
333077,CCCN=c1[nH]ncc(I)c1OC,1,GDB ChEMBL
382107,[NH3+]CCC(O)c1cnncn1,0,GDB ChEMBL
152024,N#CC(=O)CC1CC1C(=O)[O-],0,GDB ChEMBL
376973,CC1CC2(O)C(O)C2OC(CC(N)=O)C[NH2+]1,0,GDB ChEMBL
394350,CCC1C=CCC1(C)c1cc(C)n(C)c1,0,GDB ChEMBL
289966,CCOC1CCCC([NH3+])(COC2CC2)C1,0,GDB ChEMBL
274263,CC(C=O)c1ccc(F)cn1,1,GDB ChEMBL
375735,N#CC1CC[NH2+]CCNc2cc(O)nc(n2)O1,0,GDB ChEMBL
22610,C#CC1C=C2COCCC(=O)NC1C2C#C,0,GDB ChEMBL
358255,CNC(=O)C1CC2(CO2)C2C([NH2+]C)C12,0,GDB ChEMBL
299761,NC1C(=O)[N-]S(=O)(=O)CC(NC=[NH2+])C1O,0,GDB ChEMBL
274594,CC1CC=CC(C)(C(=O)N(C)C)C1,1,GDB ChEMBL
89381,C[NH2+]C1C(C)[NH+]2CCCC23CC13,0,GDB ChEMBL
296264,Cc1scc2c1CCCCC1(C)CCCC1C2,0,GDB ChEMBL
304100,N#CCCOS(=O)(=O)[N-]C(=O)CCC(N)=[NH2+],0,GDB ChEMBL
157461,Cc1cc(C2CC2)c(C)c(C(F)(F)F)c1F,1,GDB ChEMBL
271022,C#CCC(CCC(C)C)C(C)C(C)C,0,GDB ChEMBL
290316,CCC(O)(CC)Cc1cc(N)c(C)cc1Br,1,GDB ChEMBL
160969,CC1CC(C)C2(COC2)C(CC(C)(C)C)C1,0,GDB ChEMBL
378624,NS(=O)(=O)CC(=O)Cc1nccs1,1,GDB ChEMBL
181667,[NH3+]CCCc1cc(C(F)(F)F)ccc1Br,0,GDB ChEMBL
186760,N#CC1(C(CCO)OCCO)CC(=O)C1,0,GDB ChEMBL
155047,C#CC1C(CC)CC(C)(C)C(C=O)C1OCC,0,GDB ChEMBL
250638,CN=C1CNC(=O)N(CCC#N)C(C)CO1,0,GDB ChEMBL
77808,CCC[NH+]1CC(c2onc(N)c2C)C1,0,GDB ChEMBL
275647,C#CC(=O)[N-]C(C#N)COC=O,0,GDB ChEMBL
347846,NS(=O)(=O)C1NC(=O)C(O)C([NH3+])CC2CC21,0,GDB ChEMBL
358114,C=CC1CC[NH2+]C2CC(C2)OCC1,0,GDB ChEMBL
132878,CC1CC([NH3+])C(O)C1NCC1(C[NH3+])CO1,0,GDB ChEMBL
76949,CC1C2C(CC(O)CO)OC(=O)N12,1,GDB ChEMBL
9766,CC1=CCC2CC(O)C=C2C[NH+](C)C1,0,GDB ChEMBL
389426,CCC1CC2C(C1)C21CCC(C(C)C)CC1,0,GDB ChEMBL
374163,C#CC1OC2CC1CCCC=CC2C,0,GDB ChEMBL
334352,C[NH2+]C1COCCC(=O)C(C)C1,0,GDB ChEMBL
325725,CC1CC2C([NH2+]1)C(C(=O)C(=O)[O-])N(C=O)C2C,0,GDB ChEMBL
54845,CC1CNC(C#N)C(C(C)O)N1,0,GDB ChEMBL
323352,CC1CCOC(C(N)C([NH3+])CC(N)=O)O1,0,GDB ChEMBL
215868,Cc1n[nH]c(CC(NC=[NH2+])C(N)=O)c1C(N)=[NH2+],0,GDB ChEMBL
362030,COCC[NH2+]CC(C)=O,1,GDB ChEMBL
366953,CCCC(C)C1C=CC[NH2+]1,0,GDB ChEMBL
202052,CCCN1C(C(=O)CC(C)O)C1C(C)O,0,GDB ChEMBL
215888,Cc1c(C(N)=O)nc2nc(C#N)cc(C=O)n12,1,GDB ChEMBL
310995,COC(C)C1CCN1C(C)=[NH2+],0,GDB ChEMBL
382208,CCCCC1CCCC(C)(C2CC2(C)C)C1,1,GDB ChEMBL
281625,CCC#Cc1cccc2c(C)[nH]cc12,1,GDB ChEMBL
115899,Cc1cc(Cl)c2c(c1)C1C(C)C2C2CC21,0,GDB ChEMBL
355356,C[NH+]=CNC(C=O)CNC(=N)NC(C)=O,0,GDB ChEMBL
217093,CC([NH3+])C(C)C1NC(C(F)(F)F)CC1O,0,GDB ChEMBL
81593,C[NH2+]C1C2CN(C)C1CCNC2C[NH3+],0,GDB ChEMBL
284667,C[NH2+]C1(C)C(O)CC(O)C(C)CC1C[NH3+],0,GDB ChEMBL
305330,C[NH+]1CCC1C1CCOC1,0,GDB ChEMBL
314110,CN(CC1NC(C(=O)[O-])C1[NH3+])C(N)=[NH2+],0,GDB ChEMBL
161387,C#Cc1c(CC(C)C)c[nH]c1C,1,GDB ChEMBL
150538,COC(=O)C1CC2OC2C1=O,1,GDB ChEMBL
10585,N#CCCC(C=CC(O)C(N)=O)=NO,0,GDB ChEMBL
337151,CC#CC=CC(C)C(C)CCCC,1,GDB ChEMBL
274204,CN1C(=O)NCC(O)C12CCCCOC(=O)C2,0,GDB ChEMBL
194264,CCNC1C(C#N)C=C(C)C1(O)CO,0,GDB ChEMBL
310792,O=C1NCC2CC(O1)S(=O)(=O)[N-]C2=O,0,GDB ChEMBL
235653,COC(C)C1C2CCC(C2)C1(C)C[NH3+],0,GDB ChEMBL
147282,N#CC(=O)C(O)CC1C(O)CN2CC[NH2+]CC12,0,GDB ChEMBL
51333,CCC12OCC(C[NH3+])CC1(CCOC)C2C,0,GDB ChEMBL
89391,Nc1cc(Cl)cnc1C12CCCN1CC2,1,GDB ChEMBL
321974,CCC1(C)OC(C)CC1C(CCO)NC(C)=O,0,GDB ChEMBL
324305,NC(=O)CC1CC(O)CC2(CCC3CN32)C1,0,GDB ChEMBL
62059,NC(=O)CC1OCC([NH3+])C12OC2C(=O)[O-],0,GDB ChEMBL
263166,[NH3+]C1(C(=O)Nc2ncns2)CC1O,0,GDB ChEMBL
246803,CC(O)CCS(=O)(=O)CC[NH+]=CNCC#N,0,GDB ChEMBL
214387,COC1C(N)C[NH+]=C(N)C1C,0,GDB ChEMBL
372648,CC(=O)NC(=N)CC(CCCC[NH3+])OCC#N,0,GDB ChEMBL
259424,CCC1C2CCC(C)(CC[NH3+])C12,0,GDB ChEMBL
63090,O=C([O-])CCCCOC(=O)n1nn[nH]c1=O,1,GDB ChEMBL
288545,CC1(O)CCC(O)COC1(C#N)CC[NH3+],0,GDB ChEMBL
267345,CCN(CC)C(=O)N1CC(O)C1=N,1,GDB ChEMBL
11203,CC1C2CC3C[NH2+]CC3(CO2)C1O,0,GDB ChEMBL
148548,CC(CCC(N)=O)CC1[NH+]=CN2CCCCC12,0,GDB ChEMBL
4927,COC(CC1=CC[NH2+]CCC1)CS(=O)(=O)[O-],0,GDB ChEMBL
100720,COCCC1CCC=CC(=O)C1,1,GDB ChEMBL
397920,C#CC1CC(CCCC)=CCC1OC,1,GDB ChEMBL
148802,CCNc1cc(CO)cc2nc(Cl)c(C)nc12,1,GDB ChEMBL
304861,NC(=[NH2+])N1C=CC(COS(N)(=O)=O)C1,0,GDB ChEMBL
259493,CCC(CC(C)(C)C)C1CCOCC(C)(C)C1,0,GDB ChEMBL
24722,CCCCCc1cc(C)c(C(C)O)c(C)c1F,1,GDB ChEMBL
132849,COCC1OC12C[NH2+]C(C)C2O,0,GDB ChEMBL
50371,[NH3+]CCC1C2CC(NC=[NH+]2)C(O)C1O,0,GDB ChEMBL
377017,CCN(CC=NO)C1C(O)CN(C)C1C#N,1,GDB ChEMBL
225445,CCC([NH3+])C1NC(CO)C(N(C)C=O)C1C#N,0,GDB ChEMBL
147975,C[NH2+]C1CC(C)C(O)C2C(=O)C=CC2(O)C1,0,GDB ChEMBL
303905,COC12CC(CCC1C(C)O)[NH2+]CCCC2C,0,GDB ChEMBL
244579,CCC1C(C)CCC2COC(C)CC21C,0,GDB ChEMBL
259488,CCC#CCCC(C)(C)OC1CC1,1,GDB ChEMBL
250586,C#CC12CCC(CC1)c1c(ccc(Cl)c1C)C2,0,GDB ChEMBL
105947,CCOc1ccc(Cl)c(N)n1,1,GDB ChEMBL
37305,CC1(C[NH3+])NC(=O)C([NH3+])C2OCC(O)C21,0,GDB ChEMBL
5918,CCCCC1=CC(C)C[NH2+]C(CC)C1,0,GDB ChEMBL
24228,C=CC1(OC)C(C#N)C1CC(C)O,0,GDB ChEMBL
261323,CC1CC([NH3+])C(C[NH3+])C([NH3+])C1O,0,GDB ChEMBL
317198,CCCC1[NH2+]CC(C(C)O)C12COCC2[NH3+],0,GDB ChEMBL
108118,Cn1cnc(N)c1C(=O)NC(=O)CO,1,GDB ChEMBL
294446,C#CCC1CCC(C)(C(=O)CCC)C1,1,GDB ChEMBL
271497,C[NH2+]C1C(CC[NH3+])CC2CC1C(C(C)(C)C)C2,0,GDB ChEMBL
191403,C[NH+]=CNCC(CC#N)c1ccc(F)nc1C,0,GDB ChEMBL
348812,CCC1(C#N)C(C(N)=O)N1C,0,GDB ChEMBL
214773,CC1OC(=O)C(C)C(C(N)C#N)C1NC(N)=[NH2+],0,GDB ChEMBL
262234,[NH3+]CCn1cc(CNc2cc(=O)[nH]cn2)nn1,0,GDB ChEMBL
345733,Cc1c(N)cc[nH]c(O)c(NC(C)C)cc1N,0,GDB ChEMBL
104738,CNC(=O)C1(C)OC(C[NH3+])C2C([NH3+])C21,0,GDB ChEMBL
285564,COC(=O)C1CC(C=NO)=C(C(=O)[O-])CN1,0,GDB ChEMBL
155134,CC[NH+]=C(N)NC1C(C)C(O)CC(C)(C)C1O,0,GDB ChEMBL
258323,CCC(=O)C1CC(O)C(C[NH+](C)C)C1C,0,GDB ChEMBL
3824,CC1CCC2(CC(C)CC[NH2+]2)CC(C)C1,0,GDB ChEMBL
87136,Cc1ccc(CNc2cc(=N)[nH]c[nH+]2)s1,0,GDB ChEMBL
363551,CCC(C)(C(C)C)C1CC[NH2+]1,0,GDB ChEMBL
386167,COCC(CO)[NH2+]CC1CC(=NO)C1C,0,GDB ChEMBL
398941,CCCCC1CC(C#N)NCC(=O)N1,0,GDB ChEMBL
300567,C#CC(COC)[NH+](C)CC,0,GDB ChEMBL
103509,CC[NH+](C)CC1C2CC3C([NH3+])C3C21,0,GDB ChEMBL
70138,COC(=O)C1C(O)C12CC(O)C(O)C2,1,GDB ChEMBL
350885,CS(=O)(=O)N1CC(C[NH3+])NC(CO)C1,0,GDB ChEMBL
274169,C#CC1C(=O)C2(C)CC(O)C1(C)CC2C,0,GDB ChEMBL
54065,CCOCCC(Nc1cc(OC)on1)C(N)=O,1,GDB ChEMBL
24267,C=Cc1cc(Cl)c(O)c(NCC)c1,1,GDB ChEMBL
148562,CCC1(C)C2CCC1C1C(C(C)C)CC(C)C12,0,GDB ChEMBL
84969,CC1CC(=O)C2(C[NH2+]C2)C1CO,0,GDB ChEMBL
68666,COC1(CCC(C)C)COC1,1,GDB ChEMBL
274938,CCCC1(O)CC(C)C(CC)CC(=O)C1[NH2+]C,0,GDB ChEMBL
312552,CCCC1(CC)OCCC1=O,1,GDB ChEMBL
379694,CN(C=O)C(C(N)=O)C1CO1,1,GDB ChEMBL
161051,COCCC1C2CCC13CC3[NH2+]2,0,GDB ChEMBL
45010,CN=C(N)N1CC(N)C(C(N)=[NH2+])C1=O,0,GDB ChEMBL
119251,CCC(O)(C=NO)C1CC1CNC(=O)NC,0,GDB ChEMBL
120507,O=C1CC2(O)CCC(CC2)C2(CC2)N1,1,GDB ChEMBL
40253,CCC1CCC2(C)C3CCC(O)CC(CC3)C12,0,GDB ChEMBL
270030,CC1=CCCC(CO)C(C[NH3+])(C[NH3+])C1,0,GDB ChEMBL
160357,O=C1OC2CC3C[NH+]4CCC13C24,0,GDB ChEMBL
43573,CC(=O)C1C(O)CN(C(N)=[NH2+])C1CO,0,GDB ChEMBL
375165,N#CCCc1csc(Cl)cc1=O,1,GDB ChEMBL
299163,C#CCC(=N[O-])C1(O)COCCNC1=O,0,GDB ChEMBL
1074,CC1[NH2+]CC2CC1C(O)C2O,0,GDB ChEMBL
203624,C[NH2+]CC1CC(C)(c2cc(O)ncn2)[NH+]=CN1,0,GDB ChEMBL
34869,N=C(N)N1C(=O)NC(C[NH3+])CCN=C1NC=O,0,GDB ChEMBL
237980,C[NH2+]C(C)C(C(C)C)C1CC2CC1(C)C(C)O2,0,GDB ChEMBL
3006,COC1(C2(C)NC(=O)CC2C)CCOC1,0,GDB ChEMBL
143794,CC(OC(C)(C)CO)C([NH3+])CS(=O)(=O)[O-],1,GDB ChEMBL
96090,CNC1=[NH+]CCC2NC2c2ccc(F)cc21,0,GDB ChEMBL
163863,N#CC1COc2cncc(N)c2C(=N[O-])C1,0,GDB ChEMBL
260678,CCC(O)C(=O)Nc1cc(C)oc1C(N)C#N,1,GDB ChEMBL
280631,C[NH2+]C(C)CC1CC(OC)C(O)C1[NH3+],0,GDB ChEMBL
16746,C#CC(C)COC1CC(C)C([NH+](C)CC)C1O,0,GDB ChEMBL
309663,[NH3+]CCC1CC2COC3C1C=CC23,0,GDB ChEMBL
252089,CCCCC([NH3+])c1cnc(C(C[NH3+])NC)o1,0,GDB ChEMBL
1077,CC1CC2CC3(CCC[NH+]2CC1=NO)CC3,0,GDB ChEMBL
33847,CC1C=CCC2COC(C)C1CC2[NH3+],0,GDB ChEMBL
318497,CCOC1CC[NH+](C)C12C(C)(C)C2(O)C=O,0,GDB ChEMBL
359179,COCCC1NC(C[NH3+])c2[nH]nc(OC)c21,0,GDB ChEMBL
383949,C#CCC(C)c1c(I)cc(C)cc1C(C)CC,1,GDB ChEMBL
207343,C#CC1CC(C2(C)CCCCC2C)C1,0,GDB ChEMBL
354765,CCC#CCCN(C)C=O,1,GDB ChEMBL
226283,CCNS(=O)(=O)CC1CN1C(N)=O,1,GDB ChEMBL
180950,CC(C=O)C1OCC2CC[NH+]2C1C,0,GDB ChEMBL
248611,Cc1c(O)c(Cl)c(CC(C)(C)C)c(C)c1Cl,1,GDB ChEMBL
292290,CCC1(C2CCC[NH2+]CCC2)CC1,0,GDB ChEMBL
148752,CC(C)n1nc([O-])n(CC[NH3+])c1=O,1,GDB ChEMBL
104717,[NH3+]C1CC2OC1C[NH+]=CNC2CO,0,GDB ChEMBL
49117,CCC(O)C1OCOCC12CCC([NH2+]C)CN2,0,GDB ChEMBL
24035,CC1CCCC2CCC(C)C2(C)CC1,0,GDB ChEMBL
242968,CCCCC(CCC)C(C)(CCCC)C(C)C,0,GDB ChEMBL
147262,CC1C=CC(C(=O)[O-])CC1,1,GDB ChEMBL
26020,COC(C)C1OC2C(O)C[NH2+]C3C2C31,0,GDB ChEMBL
71462,CC1C[NH2+]CC=CC(=O)CC2(CC2)O1,0,GDB ChEMBL
120709,C[NH2+]C(CO)CC(COC)NC(=[NH2+])OC,0,GDB ChEMBL
215285,CCCc1cc(Br)ccc1C#CC(C)C,1,GDB ChEMBL
197487,C[NH2+]Cc1ccnoc1=O,0,GDB ChEMBL
251846,CC(C)CC(CO)=NO,1,GDB ChEMBL
247603,CC(C)(C)OCCC12CC=CC1C=CC2,0,GDB ChEMBL
334796,CC(=O)Cc1ccc2cc(C)oc2c1I,1,GDB ChEMBL
184230,C[NH+]1CCC2(C(O)CCO)CC(C[NH2+]2)C1CO,0,GDB ChEMBL
174034,C=CCC1CC(CC2CCCC2)C1,1,GDB ChEMBL
234467,C[NH2+]CC(N)CNC(=O)c1c(N)cnoc1=O,0,GDB ChEMBL
392510,CC12CC1C[NH2+]C2CCC1CC1,0,GDB ChEMBL
141995,CCC1CC(O)CCC2C(C(C)(C)C)[NH+]2C1,0,GDB ChEMBL
51356,CCCC1(C)OCCC1(C)CNC(=[NH2+])NC,0,GDB ChEMBL
352714,O=C([O-])CC1(O)CS(=O)(=O)C1,1,GDB ChEMBL
312837,Cc1nc(O)ncc1OC(=O)CN,1,GDB ChEMBL
150552,CC1(C([NH3+])C(C[NH3+])CO)COC1,0,GDB ChEMBL
386615,CC1(C(N)=O)CC(C([NH3+])CO)S(=O)(=O)N1,0,GDB ChEMBL
68616,NC(=O)CCn1cc(N)c(O)c1OCCCO,0,GDB ChEMBL
386477,C#CCCc1cc(Cl)c(C)c(CCO)c1,1,GDB ChEMBL
31816,CC[NH+]1CC2CC3COCC2C31,0,GDB ChEMBL
36154,COC1CNC(=[NH2+])C(N)=NC1CO,0,GDB ChEMBL
319144,CCC[NH+](C)CCC(CN(C)C(N)=O)C(C)[NH3+],0,GDB ChEMBL
345515,CC1(O)C2[NH2+]CC1(N)C2CC(N)=O,0,GDB ChEMBL
300722,CC(C(=O)CS(N)(=O)=O)C1OC1CO,0,GDB ChEMBL
276074,CS(=O)(=O)NC(COC=N)C(=O)[O-],0,GDB ChEMBL
15525,CC1CC2OC(C)(C)C1C(O)C2(C)CO,0,GDB ChEMBL
170107,CC([NH3+])CC1(C2COCC(C#N)C2)CCCC1,0,GDB ChEMBL
2149,OC1C2CC3[NH2+]Cc4ccnc5c4C3C12N5,0,GDB ChEMBL
259514,CCC1CCC2C=C(C)C(=O)C21,1,GDB ChEMBL
35997,CCC1[NH2+]C(C(CC(C)C)[NH2+]C)C(C)CC1C,0,GDB ChEMBL
148533,NC(=O)Oc1cccnc1O,1,GDB ChEMBL
66683,CN=C1OC(CC(=O)[O-])C2NC12,0,GDB ChEMBL
5006,C[NH2+]C1CN2CC(=O)C(C1C)C2C,0,GDB ChEMBL
108726,CC(C)CC1CCC2CC(C(C)(C)O)CCC12,0,GDB ChEMBL
238601,C#CC1CC2(C)CCCC(C2)C1CCC,0,GDB ChEMBL
194735,[NH3+]CC1CS(=O)(=O)N2CC(O)C(O)C12,0,GDB ChEMBL
203762,CCC12CC=CCC1CC[NH2+]C2,0,GDB ChEMBL
164678,CC1[NH2+]C(C2CC2)c2c1ccc(F)c2F,0,GDB ChEMBL
368158,CC(C)=CC1(CCCC2CC2)CC1,1,GDB ChEMBL
355787,NC(=O)OCC1CS(=O)(=O)N1CCO,0,GDB ChEMBL
341330,Cc1cc(CCCC(C)C(C)C)cc(Cl)c1Cl,1,GDB ChEMBL
266241,C#CCNC(C#N)CC(=O)C(CC)C1CC1,1,GDB ChEMBL
88122,C#Cc1ccnc(CCC)c1,1,GDB ChEMBL
259637,CCC1CC(C)(CC)C2CC[NH2+]C1C2O,0,GDB ChEMBL
379847,CC1C2COCC1C(O)C2[NH3+],0,GDB ChEMBL
126581,O=C1Cc2[nH]cnc2CC2COCOCC2N1,0,GDB ChEMBL
172373,CC1COC2CNC1C(O)C(=O)O2,0,GDB ChEMBL
316481,CN1CC(C)([NH3+])C(O)CN=CNC(C#N)C1=O,0,GDB ChEMBL
201474,CC1CC2(C)CCC3([NH+](C)C)CC(O)C1C23,0,GDB ChEMBL
291894,C#CCNC1C(=O)C(C)COC1C,1,GDB ChEMBL
387344,COC(=O)C(CC=O)C1[NH2+]CC(C)C1C(N)=O,0,GDB ChEMBL
23621,CCC1([NH3+])C2CC2C(=O)N(C)C1C[NH3+],0,GDB ChEMBL
273431,C#CC(C#N)(CC(CO)NCC#N)NC(N)=[NH2+],0,GDB ChEMBL
77396,O=c1[nH]cc(S(=O)(=O)[O-])c(=O)n1CCO,0,GDB ChEMBL
234490,CCC1(O)CC2(CNC(=O)C1=O)COC2,0,GDB ChEMBL
51864,CCC1CCCCC([NH+]2CC2C)C1C,0,GDB ChEMBL
291931,O=C1CN=C(c2ccon2)N1,1,GDB ChEMBL
143807,CS(=O)(=O)N1CC2CC(C[NH2+]2)C(CO)C1,0,GDB ChEMBL
323345,COC12C=CC([NH2+]C1(C)CO)C2C(N)=O,0,GDB ChEMBL
323348,CC([NH2+]CC=O)C(C)C(=O)[O-],1,GDB ChEMBL
262523,[NH3+]CCC1(C(=O)[O-])COCC[NH2+]1,0,GDB ChEMBL
148234,CC(=N)NC(=O)CNC(=O)CCC(=O)CO,1,GDB ChEMBL
157388,CC1CC(=N)OC(=O)NC(=O)N1,1,GDB ChEMBL
46051,CCC([NH3+])CC(C#N)(C(N)=O)C(N)(CC)C[NH3+],0,GDB ChEMBL
26868,Cc1c2n[nH]c1CC[NH+](C)CCCC=C2,0,GDB ChEMBL
368474,CC12CCC3[NH2+]CCC3C1OCO2,0,GDB ChEMBL
97130,CC1CC2NC(C(=O)O1)C1OC21,0,GDB ChEMBL
28355,CC(O)C(O)C([NH3+])CC1CO1,0,GDB ChEMBL
248642,CCC1CCC([NH3+])C(O)C(C)(CC#N)C1,0,GDB ChEMBL
133142,C#CCN1CCC(O)(CO)CCS1(=O)=O,0,GDB ChEMBL
181372,NC(=O)NC(Cc1cnns1)C(N)=O,1,GDB ChEMBL
83136,C[NH2+]C1CC2C(C)N2C1COC(C)=O,0,GDB ChEMBL
362026,CCNc1c(C(=O)[O-])sc2c(CC)n[nH]c12,0,GDB ChEMBL
263187,CC#CC1CC[NH2+]CCC=C1CCC,0,GDB ChEMBL
131862,CC1[NH2+]CCNc2c(F)cc(N)c(CO)c21,0,GDB ChEMBL
397029,COCC(C)C(O)C(CC[NH3+])[NH+]=C(N)N,0,GDB ChEMBL
388410,C#CCc1cc(C)c(C(CC)CC)c(F)c1F,1,GDB ChEMBL
17623,CCC1C2C=CC[NH+]1CCC2C,0,GDB ChEMBL
169394,Cc1c(C(=O)N(CC[NH3+])C(C)C)c(N)cn1C,0,GDB ChEMBL
121494,CC(NC(C)CO)=[NH+]CCC=O,1,GDB ChEMBL
356858,C#CC1CC(CC)[NH+](C)CC(C)CC[NH2+]1,0,GDB ChEMBL
181423,CC1CCC2(C[NH3+])C[NH+](C)C12,0,GDB ChEMBL
8689,CC1CN1C(=O)C1CC(NC(N)=[NH2+])CO1,0,GDB ChEMBL
254994,CCc1ncc(C)s1,1,GDB ChEMBL
129810,CCCCCC1CC(C)=C(C(C)C)CC1C,0,GDB ChEMBL
95201,CCC1(O)CC2[NH2+]C(C)C1CC2O,0,GDB ChEMBL
98887,CCC(O)C(O)CC(=O)NC(C)=N,1,GDB ChEMBL
345465,CCC1CCOC2CC2CC(O)C1,0,GDB ChEMBL
172385,CNC(=O)C1NS(=O)(=O)C12CC2,0,GDB ChEMBL
380381,C#CC12CC(CN(CC)C(C)=O)(C[NH+]1C)C2,0,GDB ChEMBL
311314,CC1CC(O)C(C[NH2+]CC(CCO)C(C)[NH3+])O1,0,GDB ChEMBL
375434,CC1OC2C[NH2+]C(CC1C#N)C2C,0,GDB ChEMBL
204422,CN(CCCC#N)Cc1nscc1[N+](=O)[O-],1,GDB ChEMBL
157456,C[NH2+]CC(N)C(O)(C(=O)[O-])C(O)C(C)[NH3+],0,GDB ChEMBL
284772,Clc1cc2ncc1CCCC1CC1CO2,1,GDB ChEMBL
247378,CC1=CCCCc2c(C)cc(Br)cc21,1,GDB ChEMBL
337798,CC1=[NH+]CC(CCC(C)C)CCC[NH2+]CCN1,0,GDB ChEMBL
2987,CNC(C(=[NH2+])NCCC#N)C(C)C(=O)C(N)=O,0,GDB ChEMBL
352581,CC(CCOC(=O)N1CC1C=O)=NO,0,GDB ChEMBL
356518,CNC1C(NC(N)=[NH2+])C1(O)C(C)=O,0,GDB ChEMBL
106607,NC(=O)C1[NH2+]CC2(N)COC12C(=O)[O-],0,GDB ChEMBL
354055,COC1(CC(=O)[O-])OC(C)(C)CC1C[NH3+],0,GDB ChEMBL
354398,[NH2+]=C1NC2C(N1)C2C(O)(CO)C(=O)[O-],0,GDB ChEMBL
330122,CC(C)(C)C1C=CC(CC#N)C1,1,GDB ChEMBL
35990,CCCC(C)CC1CC(C(C)C)CC1C,1,GDB ChEMBL
88188,N#CC1(N)COC2CC1NC2=O,0,GDB ChEMBL
379269,CCC1C=C(CO)CC1C,1,GDB ChEMBL
292321,CC1CC(O)C(OC(N)=[NH2+])C1O,0,GDB ChEMBL
257417,C#CC(OC(C)C)C1OC(=O)C=CC1O,0,GDB ChEMBL
347996,CC1CCCC=CC(N)C([NH3+])CC1C,0,GDB ChEMBL
18920,NC(=[NH2+])C1(C2CC(=O)C(=O)N2)C[NH2+]C1,0,GDB ChEMBL
353923,CC1CC=CC[NH+](C2CC2C)C(C)C1,0,GDB ChEMBL
40030,CCCc1cccc(C2(C)CCC2)c1Cl,1,GDB ChEMBL
334384,C[NH2+]Cc1cncc(I)c1,0,GDB ChEMBL
112526,CC(CC[NH3+])C1(C)CC2CN2C1C(N)=O,0,GDB ChEMBL
124540,C#CC1CCc2c(CC)ccc(F)c2C(C)C1,0,GDB ChEMBL
249483,Nc1cc(CC[NH3+])n(CC[NH3+])n1,0,GDB ChEMBL
333857,CCOC1CC2CC2(C#N)C1N(C)C,0,GDB ChEMBL
347019,CCC12C[NH2+]CC(CO1)OCC2NCC[NH2+]C,0,GDB ChEMBL
177254,O=C1CC(O)C2CC(CO1)C1CN1C2,0,GDB ChEMBL
152575,CCCC1CCC(C(C)C)C1(CCC)CCC,0,GDB ChEMBL
363558,CC[NH2+]C1CCOC(=N)OC1C,0,GDB ChEMBL
343221,CCCCC1(CC)C2C3CC=CCC(C3)C21,0,GDB ChEMBL
120863,C[NH2+]C(C)C(O)C(O)C1C([NH3+])C1C(=O)[O-],0,GDB ChEMBL
162515,CCOC1CCCC(O)C(C)C1C(C)(C)C,1,GDB ChEMBL
338858,CC1CC1C[NH+](C)CC1CC1C,0,GDB ChEMBL
104502,CC1CC23COCC1(CC2C)[NH+]3C,0,GDB ChEMBL
230433,N=C1CC2C(CC[NH3+])[NH2+]C(C(CCO)O1)C2O,0,GDB ChEMBL
70943,CCCc1[nH]c(C2CC2)c2cc(Cl)cnc12,1,GDB ChEMBL
88147,C[NH2+]C(C)Cn1cc(N)cc1C(=O)NCC[NH3+],0,GDB ChEMBL
248894,CC(N)=[NH+]c1n[nH]cc1CC(=O)[O-],0,GDB ChEMBL
142903,C#CCC(CC)Cc1cc(C#C)c(O)cc1Br,0,GDB ChEMBL
174927,COC1(C(C)=NO)CC1(C)C(CO)C(=O)[O-],0,GDB ChEMBL
354566,Cc1cc2c(Br)c(c1)C(C)CCOC(=O)CC2,1,GDB ChEMBL
300555,C#Cc1cc(C)c(C[NH3+])cc1I,1,GDB ChEMBL
354811,CCc1c(C)c(Br)cc(CC(C)(C)[NH2+]C)c1N,0,GDB ChEMBL
340139,C#CC1C(CC)NC(=O)C1CO,0,GDB ChEMBL
229428,COC(=O)C1CC1[NH+]=C(N)N,1,GDB ChEMBL
258283,CCC1CC2OC2CC1CO,1,GDB ChEMBL
341888,N#Cc1nc(N)c2c(n1)CNS2(=O)=O,0,GDB ChEMBL
166433,NC(=[NH2+])C1NCCC2CCC=CC1C2,0,GDB ChEMBL
109551,CN(C=O)CCc1ccc(Cn2ccnc2)s1,1,GDB ChEMBL
133203,C#CC1NC(=O)NCC2OC12CO,0,GDB ChEMBL
16551,C#CCC(C[NH3+])C(C)C#N,0,GDB ChEMBL
118133,CC1C2c3c(F)c(F)cc(F)c3CC12C,0,GDB ChEMBL
205976,COCC1(C(N)=O)C(=O)NC2C(O)CC21O,0,GDB ChEMBL
38881,C#CCC1CC(C)C2CC=CCCC1(C)C2,0,GDB ChEMBL
40445,CCc1cc[nH]c(C(C)C[NH3+])cc(CC)cc1,0,GDB ChEMBL
385961,COC(=O)CC(C)(CO)Cc1nnn[n-]1,0,GDB ChEMBL
35439,COC1(CCCO)C(=O)C(NC=O)CC1(C)O,0,GDB ChEMBL
206971,CCCC(=O)CCCCCNCS(C)(=O)=O,1,GDB ChEMBL
317308,CC1C(C(O)C(O)CC(N)=O)N1C=O,1,GDB ChEMBL
58944,CN1CC(C(=O)NCC[NH3+])OC1=O,0,GDB ChEMBL
209471,C=CCC1CC(C)C(CC2CC2)O1,0,GDB ChEMBL
355792,CC(C)(C)C1CCC(C(C)(C)O)CCC1(C)C,0,GDB ChEMBL
309631,CCC(C)C1(OC)CCCC(O)C1C,1,GDB ChEMBL
192590,C[NH2+]C1CCC(C2CCCC3CCCC32)C1C,0,GDB ChEMBL
280468,CCC(OC(C)C)C(=O)NC(C)=N,1,GDB ChEMBL
182885,CC[NH+](C)CC1Oc2cnnn2C(=O)[N-]C1=O,0,GDB ChEMBL
72439,[NH3+]C1C(O)CC2NCC1NC2=O,0,GDB ChEMBL
132424,CC[NH+]1CCC2(C3CC3)CC2C1,0,GDB ChEMBL
193749,C#CC1[NH2+]CC2OCC1CC2[NH3+],0,GDB ChEMBL
378074,CCCCC1C(C(C)CC)CCC(C)(C)C1C,0,GDB ChEMBL
399001,CCN1CCC2OC3CCCC3C2=CC1=O,0,GDB ChEMBL
40941,CN1C(=O)NC2C(C(N)=O)C21,0,GDB ChEMBL
389498,CCCOCC1CCCN=CNC(C(N)=O)=N1,0,GDB ChEMBL
354068,Cc1nc(N)c(N)cc1C(=O)CCCCC#N,1,GDB ChEMBL
342327,CCC1CCCC2CC2C(O)C1,1,GDB ChEMBL
118480,N=C(N)N(C(=O)CO)C1CC1[NH3+],0,GDB ChEMBL
174185,CC(=O)NCCC(=NO)C1=CC(C#N)NC1,0,GDB ChEMBL
122863,C#CC(C)C1CC=CCC(CCCC)CC1,0,GDB ChEMBL
317553,C1CCCOC2CC[NH+](CCC1)C2,0,GDB ChEMBL
322969,CNc1ncc(S(=O)(=O)[O-])c(N)n1,0,GDB ChEMBL
291506,Cc1sc(C(C)(C)C#N)cc1C#CCO,1,GDB ChEMBL
366731,C[NH+](C)C1CC1OCCO,0,GDB ChEMBL
386689,CCC([NH3+])C(O)(COC)Cc1c[nH]c(C)n1,0,GDB ChEMBL
75048,CC(=N)N(C=O)CCCC(C)(CO)C(N)=[NH2+],0,GDB ChEMBL
161980,CC1C(=O)OCC1N(C)C=O,1,GDB ChEMBL
312872,CC1[NH2+]C2(CC2)CC1C[NH3+],0,GDB ChEMBL
280302,C#CC(C#N)CC(=O)C(N)=O,1,GDB ChEMBL
390092,Cc1c(Cl)ccnc1C1CC2C(C)[NH2+]CC12,0,GDB ChEMBL
114800,CCC1(OC)C=CCOC(=O)C1,1,GDB ChEMBL
34934,CC1CC23CCC1C2OC(=O)C3,0,GDB ChEMBL
286321,Cc1cc(N2CCC2=O)no1,1,GDB ChEMBL
285596,C[NH+]1CCC(C[NH+](C)CC(=O)[O-])C1,0,GDB ChEMBL
153279,CC(N)(C[NH2+]CCC(=O)[O-])S(=O)(=O)[O-],0,GDB ChEMBL
231162,CNS(=O)(=O)CC1CCC(O)(CCO)C1O,0,GDB ChEMBL
84251,C[NH2+]CC1C2CC=CC1C(C[NH2+]C1CC1)C2,0,GDB ChEMBL
330373,C[NH2+]C(C)c1ccc(Cl)c(C2COCO2)c1C,0,GDB ChEMBL
72024,N#CCNC(=N)C1(C=O)CCNC1=O,0,GDB ChEMBL
222594,CCC(=O)C(O)C(O)C1(CC(N)=[NH2+])COC1,0,GDB ChEMBL
259375,Nc1ccc(CN2C(=O)OCC2C=O)c(Br)n1,1,GDB ChEMBL
51034,CC(C)C(C)C(C)(C)C#CCOCCCO,1,GDB ChEMBL
296416,Cc1nn2c(c1C(N)=O)OCC(C(C)O)C2,0,GDB ChEMBL
358208,C#CCC(CCC)CC(C)O,1,GDB ChEMBL
26386,CCC1C=C(C(N)=O)CC(C)(OC)C1=O,0,GDB ChEMBL
330765,COC1OCC(C(=O)[O-])C(CO)CC1(C)[NH3+],0,GDB ChEMBL
50264,Cn1cc2c(n1)CC(O)CC2[NH3+],0,GDB ChEMBL
307585,CC1=CC#CC=CCCCCCCC(C)C1,1,GDB ChEMBL
219541,CCCS(=O)(=O)C(C=O)N(C)C(N)=[NH2+],0,GDB ChEMBL
314936,CCC1NC(=O)C(C(=O)[O-])C1S(N)(=O)=O,0,GDB ChEMBL
84262,CC1=C(CC(C)[NH3+])COC(=O)N1,0,GDB ChEMBL
386631,CN(CC1C([NH3+])CC(CCO)C1[NH3+])C(=O)C[NH3+],0,GDB ChEMBL
175588,O=COCCC1(OCC(=O)[O-])CCCC1,1,GDB ChEMBL
239965,C#Cc1c(C#CC[NH3+])ccc(Br)c1O,0,GDB ChEMBL
191560,CC(C)C12CCC(C#N)C(CC1O)NC(=O)O2,0,GDB ChEMBL
392497,C=CC1CC2(C[NH3+])CCCC2C1C,0,GDB ChEMBL
346828,N#C[C-]1C(=O)OC(C(=O)[O-])C1O,0,GDB ChEMBL
171298,CC([NH3+])C1(N)C2CC(C(N)=O)[NH2+]CC21O,0,GDB ChEMBL
118438,C#CCCCCCC1C2CCC1C1CCC21,0,GDB ChEMBL
163392,Cc1ccc(CC2CC([NH3+])C2C)c(F)c1,0,GDB ChEMBL
363033,[NH3+]C1C(CO)CC2CC(=O)OC1O2,0,GDB ChEMBL
96054,CC[NH2+]CCC1(CCC(C)C=O)COCCO1,0,GDB ChEMBL
370232,NS(=O)(=O)CC1CC(O)C1=CC(=O)[O-],0,GDB ChEMBL
393963,COC(=O)C1(C(C)C)C2[NH2+]CC(C2OC)N1C,0,GDB ChEMBL
395586,CN=c1scccc(C#N)nc(O)n1C(C)C,0,GDB ChEMBL
9705,COC1C2OC(OC2=O)C([NH3+])C1C,0,GDB ChEMBL
309803,COCCC(OC=N)C(C#N)CNC(=O)OC,0,GDB ChEMBL
61839,CC1C2CC(CCO)C1S(=O)(=O)N2,0,GDB ChEMBL
266242,COCC1NC(C)C1(C#N)CO,0,GDB ChEMBL
367634,C=CCCC(C)C1CCCC1OC,1,GDB ChEMBL
298057,CC12C=CC(O)C1C1CCC2C1C[NH3+],0,GDB ChEMBL
201353,CCCC1(CO)CC=CC(=O)C(C)(C)C1C,0,GDB ChEMBL
392539,CC(O)C1(C(=O)OCCCO)CN1,1,GDB ChEMBL
352172,CCS(=O)(=O)NC(CO)(C(N)=O)C(=O)[O-],0,GDB ChEMBL
132515,CC1(C(O)C#N)CC(O)CN(S(C)(=O)=O)C1,1,GDB ChEMBL
64677,COC(=O)C1(CO)CN2CC2C1[NH3+],0,GDB ChEMBL
320741,COC1CC(=O)C2(C)C(CO)N2C1,0,GDB ChEMBL
94879,CCCCC12CC3[NH2+]C(C)(CC3=O)C1C2,0,GDB ChEMBL
170286,CC1OC2CCC(O)CC2C1CCO,0,GDB ChEMBL
222597,CC([NH3+])CCC(C)C1C2CCCC[NH+]21,0,GDB ChEMBL
320301,CCc1[nH]c(C)cc1C1CC1,1,GDB ChEMBL
387323,CC1C[NH+]2C(C)CCC2(C)CN1CCO,0,GDB ChEMBL
25206,NC(=[NH2+])COC1C(=O)N2CCC2C1O,0,GDB ChEMBL
70145,CCC(C)CC1C(C)[NH2+]CCC2(C)CC12,0,GDB ChEMBL
130844,NC1C(=O)NC(=O)CCOC12C(O)C2O,0,GDB ChEMBL
216555,CC1[NH+](C)CC1(CO)CO,0,GDB ChEMBL
296997,CCCC1=CC(C)CC(C)C1CC#N,0,GDB ChEMBL
291462,CC1NC(=[NH2+])OC1(C#N)C(O)CC(O)CO,0,GDB ChEMBL
265265,COC(C(=O)[O-])C1N=C(N)OC1CO,0,GDB ChEMBL
307554,CCC1C=CC(C(C)C)C1(C)CC(C)C,0,GDB ChEMBL
291877,CC1CC1CC1([NH3+])CCCC1,0,GDB ChEMBL
65635,CC12CCCC(C)(CC1)C2,1,GDB ChEMBL
360989,CC1CCOCC(C#N)C1[NH3+],0,GDB ChEMBL
334456,CC1CC(O)C2(C[NH3+])C1N2C(=O)C[NH3+],0,GDB ChEMBL
366039,CC1=CCC2(C=Cc3ccccc3C2)CC1,1,GDB ChEMBL
356815,CCC(C(C)C#N)C(c1nc(C)co1)C(C)O,0,GDB ChEMBL
354413,CC1CC2CC2C2Cc3ccc(Cl)cc3C12,0,GDB ChEMBL
80463,C#CC12CC(CCCC[NH2+]CC(C)(C)O1)C2,0,GDB ChEMBL
29004,CCc1cc(F)c(C2CC2)c(CC)c1,1,GDB ChEMBL
34880,CC(OC1C(=O)NCC(O)C([NH3+])C1N)C(N)=O,0,GDB ChEMBL
232054,C#CC1C2CCCC(CC2CC(N)=O)C1(C)C,0,GDB ChEMBL
31825,C=CCCC(=O)C1(OC)CC1[NH2+]C,0,GDB ChEMBL
289407,C#CC1(C)[NH+](C)CC(C)CC(=O)C1(C)C(C)C,0,GDB ChEMBL
228321,CC=CCn1ccc(C(C)(C)C)c1,1,GDB ChEMBL
234862,CN1CC(NC(N)=O)C1=NCC#N,0,GDB ChEMBL
195407,CC(C)C(CO)C12CC1C(C)CNC(=O)N2,0,GDB ChEMBL
39943,N#CC1C(O)CC(C(=O)[O-])C1[NH3+],1,GDB ChEMBL
192547,C=CCC(C)C1(C)CCC2CC2[NH2+]1,0,GDB ChEMBL
376642,CC1=[NH+]C(CCOC(N)=O)C(O)CC(CO)N1,0,GDB ChEMBL
13761,COCC1C(=O)OC(C)C1OS(N)(=O)=O,0,GDB ChEMBL
42609,CCC1CC2(C)CC=CC([NH2+]C)C1[NH+]2C,0,GDB ChEMBL
378872,C#CC(CC)C1CCC(CC)C2CCC[NH+]2C1,0,GDB ChEMBL
292222,CN(C(N)=O)C1(CCO)C([NH3+])C1C(N)C[NH3+],0,GDB ChEMBL
334786,COC12C(N)=NCC1(O)C2[N-]S(C)(=O)=O,0,GDB ChEMBL
227899,CCCCC1CCC23CC2C(C[NH3+])C(=O)N13,0,GDB ChEMBL
386621,CC(OC(C)(CO)CO)C(O)CO,1,GDB ChEMBL
26891,C#CCC(C)[NH+]1CCC2C(C)C(OC)CC21C,0,GDB ChEMBL
267349,N#CCC1C2CCC1(CO)CCO2,0,GDB ChEMBL
334089,Ic1ccccc1C1CC[NH2+]1,0,GDB ChEMBL
163364,CCCCN=c1ncc(C)cc(O)c1[O-],0,GDB ChEMBL
323155,O=C([O-])C1NC12CCOC2C(=O)[O-],0,GDB ChEMBL
324326,CC1(C[NH3+])CC2CC([NH3+])CC2O1,0,GDB ChEMBL
284671,CC(C)C(C)C#Cc1ccc(Br)nc1N,1,GDB ChEMBL
235225,C[NH+](C)CCC1CC2(CCNC2C#N)C1,0,GDB ChEMBL
379231,COc1cc(NC(C)(C)C)c(=O)n(C)c1C,1,GDB ChEMBL
209456,OCC1OCC2CCCC([NH2+]2)C1O,0,GDB ChEMBL
269156,COCC(=O)C1(O)C=CC(=O)NC1,0,GDB ChEMBL
257525,Cc1c(I)ccc(Cc2ccno2)c1O,1,GDB ChEMBL
290570,CCC1([NH2+]CCC(=O)[O-])C(O)C1OC(N)=O,0,GDB ChEMBL
244525,NC(=O)NCC(CO)CC(O)C(O)C(=O)[O-],0,GDB ChEMBL
34201,CS(=O)(=O)[N-]C(=O)C#CCC1CCC1,0,GDB ChEMBL
290563,CC(=O)OC1CC(O)(C(N)=[NH2+])C(O)C(O)C1[NH3+],0,GDB ChEMBL
7359,CC(=[NH2+])NCC(O)C(O)CC(C(C)=O)C(C)O,0,GDB ChEMBL
97080,C[NH+]=CNc1ccc(CCC(C)C)c(CO)c1,0,GDB ChEMBL
307942,CCn1c(C)nnc1-c1nccc(C)n1,0,GDB ChEMBL
5262,CC[NH+](C)C12CC(C1)C2O,0,GDB ChEMBL
184134,CCCC(CCC)C1CC(CC)CCC1CC,0,GDB ChEMBL
28157,C#CCC(C)(CC)[NH+]1CC2CCC(CO)C1C2,0,GDB ChEMBL
41152,CCC#CC(CC#CCO)[NH2+]C,0,GDB ChEMBL
109538,CC(C)(O)c1ccc(CC[NH+]2CCC2)s1,0,GDB ChEMBL
234967,CCC1C[NH2+]CCc2n[nH]cc21,0,GDB ChEMBL
133356,CCC(C(C)O)C12NC(=O)CC1(O)C2CO,0,GDB ChEMBL
35275,[NH2+]=C1COCC(CCn2cncn2)N1,0,GDB ChEMBL
133042,C[NH+]=C(N)C1CC(O)CCCCC1(C)O,0,GDB ChEMBL
263207,CCC1=CC(C)C(C(C)CCC(C)C)C1,0,GDB ChEMBL
220176,CC(=N)OC(=O)CNCCC(C)O,1,GDB ChEMBL
190426,COC(=O)C(C)C1C2CC([NH2+]2)C1C[NH3+],0,GDB ChEMBL
330119,CCc1cc(C2CC=CC2C=O)ccc1F,0,GDB ChEMBL
20548,CC1NCCC(O)C(C)OC1=O,1,GDB ChEMBL
358313,CCCC(CCC)C([NH3+])(CC)C(C)C,0,GDB ChEMBL
202461,CC1COC(=O)C(NS(C)(=O)=O)C1O,1,GDB ChEMBL
304413,O=CCCNc1cc(O)cc2onc(C=O)c12,1,GDB ChEMBL
241136,CCNC1=[NH+]CC2OC(CO)C(C(C)C1)C2O,0,GDB ChEMBL
286980,C#CCCc1cc2c(c(Cl)c1C#C)CC([NH3+])C2,0,GDB ChEMBL
29599,C#CC([NH3+])C1(CC#N)C=CCCC(C)C1,0,GDB ChEMBL
115462,CCCCC1CC1C=CC(C)CC,1,GDB ChEMBL
252845,[NH3+]CC1NC(=O)C=CC2OC(C3CC3)OC12,0,GDB ChEMBL
81796,O=C1NC(CO)C2C(O)CC12,0,GDB ChEMBL
103490,Cc1cc2[nH]nc(C)c2c(=[NH2+])[nH]1,0,GDB ChEMBL
71274,C#Cc1cnn2c(NCC)cc(Br)nc12,1,GDB ChEMBL
274944,CC(=N)N(C(N)=O)C(=O)CNC=O,1,GDB ChEMBL
203864,C#CCC(=O)N(C)C1CC(O)C1,1,GDB ChEMBL
386464,C#CCCOC(=O)C(CO)S(N)(=O)=O,0,GDB ChEMBL
47807,C=CCCCCCC1=CC(C)CC1,1,GDB ChEMBL
245485,C=CC(CC)C(C)C(C)C=CC[NH3+],0,GDB ChEMBL
109146,C[NH2+]CCCOc1cn[nH]c1,1,GDB ChEMBL
70351,CC1CC2(O)COC(C)C(CO)C1C2=O,0,GDB ChEMBL
369862,N#CC(CC1CN1)N1CCC1,0,GDB ChEMBL
275678,CC(C)NC(C(N)=O)C1(C#N)CN1C=O,0,GDB ChEMBL
125601,NC(=[NH2+])CCCNC1(C[NH3+])CC1,0,GDB ChEMBL
285101,Cc1noc(Cn2ncc(CC(N)=O)n2)n1,0,GDB ChEMBL
271494,Cc1cc(I)cc(OCCO)n1,1,GDB ChEMBL
300928,NC(N)=[NH+]C1C(=O)C2CN2C1C(=O)[O-],0,GDB ChEMBL
338306,N=C1OC(C([NH3+])CC[NH3+])C1(N)C(=O)[O-],0,GDB ChEMBL
221129,CC1C2NCC(C1O)N(CC[NH3+])C2=O,0,GDB ChEMBL
273395,CCC1CC(C2CC=C(C)C2)C[NH2+]1,0,GDB ChEMBL
141716,COC(=N)NC(=O)C(C#N)=N[O-],1,GDB ChEMBL
180820,CC1CCCC2C1C(C)C(C)OC2(C)C,0,GDB ChEMBL
259553,CCC1(C)C2CNC(C(N)=O)C1(O)C([NH3+])CO2,0,GDB ChEMBL
51357,CC([NH3+])CC[NH2+]C1C2CCC1(C)C(C)C2,0,GDB ChEMBL
306378,CC1Cc2cnc(o2)C(C[NH3+])CC(C)([NH3+])C[NH2+]1,0,GDB ChEMBL
354401,CCCc1nc(C)cc2c(O)c(N)[nH]c12,1,GDB ChEMBL
354112,COC1OCC(C(C)CO)C1[NH3+],0,GDB ChEMBL
249537,COC(N)=[NH+]C1CC(C#N)(CC(=O)[O-])C1,0,GDB ChEMBL
161433,CCC12[NH2+]CC(O)C1C(C(N)=O)C2=O,0,GDB ChEMBL
350919,CCCC1CC(O)CC2CC12,1,GDB ChEMBL
220198,COC12CC(N=C1NCC(N)=O)C(C)(O)C2,0,GDB ChEMBL
367761,COC1(C(C)C)CC(=O)C2OC21,1,GDB ChEMBL
288502,C#CC1C(C)CC(CCC(C)[NH3+])OC1CCO,0,GDB ChEMBL
59597,COC1COC(C[NH3+])C(O)C(O)C1,0,GDB ChEMBL
58986,CC(NC(N)=[NH2+])C1(C#N)COCC(=NO)C1=O,0,GDB ChEMBL
258286,CC1(OC(N)=O)OC2CC(NC(N)=[NH2+])C1C2O,0,GDB ChEMBL
165230,O=CCC1c2ccccc2CN1CC(F)(F)F,1,GDB ChEMBL
151717,COCC1C(C[NH+](C)C)OC1C(N)=O,0,GDB ChEMBL
118848,C[NH2+]C12C=CCC1CC(C)(OC(C)=O)CC2,0,GDB ChEMBL
314918,C[NH2+]C1(C(N)CC(O)C[NH3+])CC1,0,GDB ChEMBL
26580,CCC(C)C1(CC)CCC(O)CC1,1,GDB ChEMBL
240420,COC(=O)CN(CC#N)CC(=O)C#N,1,GDB ChEMBL
366783,COCCCC(C)C1C2C=C(C)C1(C)C2,0,GDB ChEMBL
173906,CC1C(O)CCC1C#N,1,GDB ChEMBL
290279,C#Cc1c(C)cc2c(c1C)CCC2C(C)C,1,GDB ChEMBL
367617,C#CC(O)C1C(C)CC(C)(C(N)=O)C1CCO,0,GDB ChEMBL
40270,CNC(=O)C1COC(C[NH+]=CN)C(O)C(C)[NH2+]1,0,GDB ChEMBL
332337,C[NH2+]C(C)CC(C)(CO)C1CNC(N)=[NH+]1,0,GDB ChEMBL
258205,CCC1CC2(C)CC(O)C(C(C)C)C1C2(C)C,0,GDB ChEMBL
28325,CCN=C1CC(C)CC(CO)CC(C)O1,0,GDB ChEMBL
375731,NC(=[NH2+])NC1CC(O)C(=O)C12CO2,0,GDB ChEMBL
393964,Cc1c(CC(N)=O)cc(C[NH+](C)C)c(F)c1C,0,GDB ChEMBL
263301,CC1CC(C)[NH2+]C(C)C(C)[NH2+]1,0,GDB ChEMBL
277861,CC1CC2CC3(C)CC2[NH+](C3)C1C,0,GDB ChEMBL
160361,N#Cc1cc(O)c2cc[nH]c2c1,1,GDB ChEMBL
209445,C=CCC1C(O)CC2OC(=O)CC21,0,GDB ChEMBL
365815,C#CCCC(C(C)C)C(C)c1cccc(O)c1,0,GDB ChEMBL
227896,CC1[NH2+]C(CC(N)=O)C2OCC(O)C12C(N)=O,0,GDB ChEMBL
190060,C#CC(C(F)(F)F)C(C)(C(C)O)C(C)CC,0,GDB ChEMBL
122893,NC(=[NH2+])N1C2COCC1C2,0,GDB ChEMBL
102153,CC(O)(C(=O)[O-])C(CO)C(N)=O,0,GDB ChEMBL
361798,COc1cccn1C1CC(O)C1,0,GDB ChEMBL
258334,CN1CC(O)CC1c1noc(N)c1C(N)=O,0,GDB ChEMBL
143826,CC(C)Nc1cc(O)cc(CO)c[nH]cn1,0,GDB ChEMBL
156185,COC1(C(C)=O)C(O)C1C(=O)[O-],0,GDB ChEMBL
876,C#CCCc1cnc(Cl)c(OCC[NH2+]CC)c1,0,GDB ChEMBL
2388,C=CC12CCC[NH2+]C1C(CCC)C2,0,GDB ChEMBL
277442,C#CCC1(C)CCC(C)([NH3+])CCC[NH2+]C(C)C1,0,GDB ChEMBL
269193,COC1OCC([NH3+])C(O)(C(C)NC(N)=O)C1O,0,GDB ChEMBL
120661,CC1CC2CC3OC(C)C(CC13)[NH2+]2,0,GDB ChEMBL
210140,C#CC(C)(CC(=O)CCC)OCC,1,GDB ChEMBL
317543,CCCC12CCCC3OCC(C)(CCC1C)C32,0,GDB ChEMBL
303309,CCCCC1CC2CC(C)OC2CCC1[NH2+]C,0,GDB ChEMBL
66711,CC1(C)CC2(C)CCC([NH2+]C3CC3)C2CO1,0,GDB ChEMBL
31088,CC1(O)CCC1N1CCNC1=O,1,GDB ChEMBL
295935,CCC(CCO)COC,1,GDB ChEMBL
262568,CNC(=O)C1OCC(C[NH3+])C12CC2[NH3+],0,GDB ChEMBL
44678,CC[NH2+]C1CCC(c2ncc(Cl)cc2N)CC1,0,GDB ChEMBL
76437,C[NH2+]CCNc1conc1C=O,0,GDB ChEMBL
298088,CC#CC(OC(N)=O)C(C)(O)CCC,1,GDB ChEMBL
86691,CC(C=CNC(N)=[NH2+])C[NH2+]C1CC1,0,GDB ChEMBL
88149,CCC(=O)c1c(O)c(Br)cc(N)c1NC,1,GDB ChEMBL
271029,CC1CN2CCOC3C(C)C(O)C(C[NH3+])(N1)C32,0,GDB ChEMBL
263548,COC(C[NH3+])CC(C)(CC#N)C(C)C,0,GDB ChEMBL
672,N=c1cc(C(=O)NC(=O)C2CCC2)cn[nH]1,1,GDB ChEMBL
218305,O=S1(=O)CC(CC2CC2CO)CCCN1,0,GDB ChEMBL
83477,Cc1noc(CC(C[NH3+])[N-]C(=O)C#N)n1,0,GDB ChEMBL
150540,CCCC(CC1=CC=CCC=CC1)C(C)C,0,GDB ChEMBL
348699,C[NH2+]C1(C=O)CN2CCCC1CC2,0,GDB ChEMBL
236725,CCC(C)C1CC(C)CC2(C)C[NH+](C)C12,0,GDB ChEMBL
50953,CCNc1ccc(I)cc1C1CC1CO,1,GDB ChEMBL
45683,O=CCCc1ccncn1,1,GDB ChEMBL
39945,C[NH2+]CC(C)(O)C1CC([NH3+])C1,0,GDB ChEMBL
339966,CC1C(O)C12CC(=O)NCCC(N)=[NH+]2,0,GDB ChEMBL
397911,CCCC1=C(CC[NH3+])CC#CCOC(=O)C1,0,GDB ChEMBL
209819,CCC(C)C1[NH2+]C2C(CCC(C)C2C)NC1C,0,GDB ChEMBL
91202,C=CCC1CCC2CC2CC(C)O1,1,GDB ChEMBL
238031,CN1CC2OCC(O)(C1=O)C1CC21,0,GDB ChEMBL
136161,COc1nc(C)n2c(Cl)cc(C[NH3+])nc12,0,GDB ChEMBL
130466,C#CCN(CC[NH2+]C(C)C)CCn1ncnn1,0,GDB ChEMBL
207954,C[NH2+]C12CC3CC(CCO3)CN(C)C1C2,0,GDB ChEMBL
184239,CCC1C(C)C(C)C1CCC(F)(F)F,0,GDB ChEMBL
5220,CN1C2C(=O)NC(C2O)C1C(O)CC([NH3+])CO,0,GDB ChEMBL
325722,CC1=CCC(CC#N)CC=C1,1,GDB ChEMBL
201621,CCC1C2CCCC1[NH2+]C2,0,GDB ChEMBL
280499,CC(O)(CCC[NH3+])C[NH2+]CCC[NH3+],0,GDB ChEMBL
171324,CC1=CC2OCCC(C)CC2C1,0,GDB ChEMBL
3023,CCc1c(F)c(C(C)=O)c(F)c(C=O)c1CC,1,GDB ChEMBL
122014,CC[NH2+]C1CCCC(=O)C(C)(C)C(C)C(O)C1,0,GDB ChEMBL
366782,C=C1CC(C)CCC1OC1C[NH2+]C1,0,GDB ChEMBL
89343,COc1c(Cl)cc(CO)c(OCCO)c1C,1,GDB ChEMBL
305240,N=C(Nc1c(N)cccc1I)c1ccccn1,1,GDB ChEMBL
247202,CC1(C)OC(=O)C(C(=O)[O-])CC1(C)S(N)(=O)=O,0,GDB ChEMBL
240831,C[NH2+]CCC1C(C)CC2C(CO)[NH2+]C12,0,GDB ChEMBL
149406,NC1=NC2CC2(C[NH2+]CCO)CC(=O)N1,0,GDB ChEMBL
33566,O=CN1C2CS(=O)(=O)CC1C(O)C2O,0,GDB ChEMBL
242953,COC1C(O)C(C(N)=O)NC1(C#N)C(O)C#N,0,GDB ChEMBL
276308,CC1([NH2+]CCNC=O)CC1,1,GDB ChEMBL
18835,CC1=Cc2cc(F)cc(C)c2CCCC1,1,GDB ChEMBL
97095,CCC1=CCC(CC2CC2)CC1(C)C,1,GDB ChEMBL
386465,CC1(CC(F)(F)F)CCCCC(C#N)N1,0,GDB ChEMBL
296616,CCc1c(Br)cc2c(c1CC(C)C)CCCC2,1,GDB ChEMBL
277437,C#CCC1CCCC(C[NH3+])(CCC)C1,0,GDB ChEMBL
358576,CCn1c(O)nc2c(CC(C)(C)C)c[nH]c21,0,GDB ChEMBL
337820,OC1CC2C=CCCCCCC2C1,0,GDB ChEMBL
125618,CC(OC(N)=O)C(C)C1OCC(=O)O1,1,GDB ChEMBL
343253,CN=CN(CCOC1(C)CC1)C(=O)C[NH3+],1,GDB ChEMBL
355823,CCCC1CN(C)CC(C)(C(CC)CO)[NH+]1C,0,GDB ChEMBL
349670,CC1C=CCOC1CN1CC1C,1,GDB ChEMBL
114383,C[NH+]1C2CC(O)CC3CC(C2)C1C3,0,GDB ChEMBL
284699,C#Cc1c(Br)cc(C)c(Br)c1[O-],0,GDB ChEMBL
372764,CC(=NO)C(CCO)NS(C)(=O)=O,1,GDB ChEMBL
273863,CC1=[NH+]CC(=O)NCCCOCC(C(N)=[NH2+])N1,0,GDB ChEMBL
392283,CCC(CC(C)C)C1(OC)CCC(C)(C)CC1,1,GDB ChEMBL
190457,CC(=O)OC1C(NS(C)(=O)=O)C1(N)C[NH3+],0,GDB ChEMBL
87133,CCC1CC2(CCNC2=O)C1,1,GDB ChEMBL
283965,CCC(C)C1CCC(C)(O)C2(C)C[NH+](C1)C2,0,GDB ChEMBL
374039,NC1=[NH+]CC2CC2NS(=O)(=O)CCCC1,0,GDB ChEMBL
266226,CC1C[NH+](C)CCNc2c[nH]c(c2[N+](=O)[O-])O1,0,GDB ChEMBL
21560,Nc1nc(N)sc(C(=O)[O-])c(N)c(=O)nc[nH+]1,0,GDB ChEMBL
70193,CNC(=O)C(=O)C(CCO)C(N)=[NH2+],0,GDB ChEMBL
182108,CCC1C=CCC(O)C1,1,GDB ChEMBL
350310,CCC(O)CC(C1CN1)[NH+](C)C,0,GDB ChEMBL
33131,CC([NH3+])CNCc1csc(COC(N)=[NH2+])c1,0,GDB ChEMBL
202781,CNC(=[NH2+])N(C)c1c(N)ccc2sccc12,0,GDB ChEMBL
324297,CC1Nc2c(NC=O)cc(C[NH3+])c([O-])c2C1[NH3+],0,GDB ChEMBL
181162,CC=C(C)CC1CCC=CC(C)C1,0,GDB ChEMBL
130608,O=CC12CC=CC13c1ccc(Cl)cc1OC23,0,GDB ChEMBL
171326,CNC(CC1CC1C(=O)[O-])=[NH+]C,0,GDB ChEMBL
140126,CC1CC23C[NH2+]C1C(C2)C(C)O3,0,GDB ChEMBL
289454,CC1C(CO)[NH2+]C2CC21COC(N)=O,0,GDB ChEMBL
300578,Nc1cnc(C[NH3+])c(N)c1C(=O)[O-],0,GDB ChEMBL
184096,CN=C1NC(=O)C(C)(CCOC)CC1O,0,GDB ChEMBL
17284,CC1(C)CC(O)(C(F)(F)F)C[NH2+]1,0,GDB ChEMBL
118407,C#CCC(=C)C(COCC)C(=O)[O-],0,GDB ChEMBL
334423,CCC(CC)CC(C)(CC)CC(C)C,1,GDB ChEMBL
252576,COC(CC(C)C(C)(C)C)C1OCC1O,1,GDB ChEMBL
310270,C[NH+]1CCC(C)(C)[NH+]2CCCC(O)(CCC2)C1,0,GDB ChEMBL
274913,N#CC1(C(O)CC(C[NH3+])C(N)=O)CN1,0,GDB ChEMBL
170270,[NH3+]C1C2C=CC(CCNC2=O)C1COC=O,0,GDB ChEMBL
382625,CC1CCC(c2cc(F)c3ccccc3c2)C1,1,GDB ChEMBL
151075,OCc1ccc(Oc2ccc(I)cn2)cc1,1,GDB ChEMBL
13129,Nc1[nH]ccc1NC(=O)CN1CCNC1=[NH2+],1,GDB ChEMBL
226212,CC(C(=O)[O-])N1C(=O)C(N)C1C(N)=[NH2+],0,GDB ChEMBL
44556,CC#CC1(N)CCCC[NH2+]C1,0,GDB ChEMBL
378936,CC(C)C(C)(C)CC(=[NH2+])N(C)C,0,GDB ChEMBL
141738,CC1CCC([NH3+])C2C(C1)CC([NH2+]C(C)C)C2C,0,GDB ChEMBL
76073,CC(O)C[NH+](C)CCCc1cc(F)cc(F)c1,0,GDB ChEMBL
254240,Cc1cc2c(c3c(NC(C)C)coc13)CCC2,1,GDB ChEMBL
165253,C=CCC1C(C)OCC1(C=O)C=O,0,GDB ChEMBL
330508,C#CC(C)(C)C(C)C(C)c1ccc(C)c(Cl)c1,0,GDB ChEMBL
375542,CCC([NH3+])C1=Cn2cnc3n[nH]c(c32)C=C1,0,GDB ChEMBL
382969,CCC1[NH2+]CC(CO)N2CC1(CO)C2,0,GDB ChEMBL
240470,C[NH2+]C12CC1C(C[NH3+])OC2C(=O)[O-],0,GDB ChEMBL
185943,COCCC1(COC)CCCCC1OCCO,1,GDB ChEMBL
126849,CC1C2OCCC[NH2+]C2C2CCC12C,0,GDB ChEMBL
257508,CCNC(=O)n1nccc1N,1,GDB ChEMBL
230746,CCCOC(C)C(C)CNC=O,1,GDB ChEMBL
291522,CCCC1OC(C)(C)C2C1C(C)CC(C)[NH+]2C,0,GDB ChEMBL
395590,CCCC1C=CC=C(CC)CC1C,0,GDB ChEMBL
210156,C[NH2+]C1CC(O)C2CC[NH2+]C2C1,0,GDB ChEMBL
31276,NC(=[NH2+])NC1C2CC3OC3C1C(=O)O2,0,GDB ChEMBL
219542,CCCCC(CC)(CCC)CCCC([NH3+])CN,0,GDB ChEMBL
354596,CC1CNCC2C([NH3+])C2CS(=O)(=O)N1,0,GDB ChEMBL
354141,CC1CC2(COC2)C([NH3+])C1C,0,GDB ChEMBL
391620,NC(=O)c1snc(C(=O)[O-])c1C(N)=O,0,GDB ChEMBL
159755,CCCCC12C[NH+]1C(C(C)CC)CC2CC,0,GDB ChEMBL
300469,CC1OC2CNC(=[NH2+])C1(O)C(CC(N)=O)C2O,0,GDB ChEMBL
50253,Cc1cc(Br)c2c(C=O)cnc(O)c2c1C,1,GDB ChEMBL
236012,NC(=O)c1n[nH]cc1NCCO,1,GDB ChEMBL
235595,Cc1cccc(C2(C)CCC=C2CO)c1,1,GDB ChEMBL
308714,CCC(C[NH3+])(CCC(=O)[O-])OS(N)(=O)=O,1,GDB ChEMBL
67592,NC1(C[NH3+])CCC[NH2+]CC(=O)NC1,0,GDB ChEMBL
304390,C#CC1CC2CCCC1C2(C)CC(C)[NH3+],0,GDB ChEMBL
155766,CS(=O)(=O)N1C(=O)C2OC(C(=O)[O-])C1C2[NH3+],1,GDB ChEMBL
201428,CC1OCC2NCC1CN(C=N)C2=O,0,GDB ChEMBL
342383,CC1(C)CCC2C(CC3=CCCC32)C1,0,GDB ChEMBL
318110,CC1C(C)C2CCCC(O)C1CC21CCCC1,0,GDB ChEMBL
61249,[NH3+]C1(C2CC2)CCCCCC1,0,GDB ChEMBL
330805,CC1=NCCN=C(N)N1C(=O)CO,1,GDB ChEMBL
366943,CC1[NH+](C)CC2(C)CCCCC1(C)C2C,0,GDB ChEMBL
375855,O=CC12CCC[NH2+]CC1C2,0,GDB ChEMBL
349676,CCC12CCCC(n3ccc(C[NH3+])n3)C1C2,0,GDB ChEMBL
50871,CCC1(C)C2OC(=O)C1(O)C(OC)C2O,0,GDB ChEMBL
33214,CC(C)CC12CC=CC(C=CC1)O2,0,GDB ChEMBL
108108,COC(C[NH3+])C1(O)CC(=O)OC12CN(C)C2,0,GDB ChEMBL
283411,CC#CC1(CO)C2CC1C(OC)CC2C,0,GDB ChEMBL
94863,NC(=[NH2+])C1CS(=O)(=O)NC1C(N)=O,0,GDB ChEMBL
347961,C=CC(=O)CC1[NH2+]C(C)C(C)C1C,0,GDB ChEMBL
270988,[NH3+]C1CC=CC2(C1)OCCCCC2CCO,0,GDB ChEMBL
77746,CCC1CC(O)(CO)C2CC(=O)OC1O2,0,GDB ChEMBL
385364,CC=C(CO)CCCOCC(C)=O,0,GDB ChEMBL
215469,CC1OC2CC3(O)CCC2(C)C13,0,GDB ChEMBL
334593,CC1CC(C)S(=O)(=O)[N-]C(=O)O1,0,GDB ChEMBL
204211,C[NH2+]CC1CC(O)C=C1C#N,0,GDB ChEMBL
44983,CCC1CCN(CC#N)C1,1,GDB ChEMBL
299197,Cc1nccn1CC(O)(C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
348679,C=C1C([NH3+])CC(C)C1(C)CCOC,0,GDB ChEMBL
345484,CCCCC1(C#N)C(=[NH2+])NC(C)C1CC(C)O,0,GDB ChEMBL
169086,C=C1CC2C3C[NH+](C)C(CC1C)C23,0,GDB ChEMBL
50985,C#CC([NH3+])C1OC(CC)C(OC)C1C,0,GDB ChEMBL
75443,O=CN1C(c2ccc(Br)cc2)CC2(O)CC12,0,GDB ChEMBL
235654,Cc1ccc(CC2CC2C2CC2)o1,1,GDB ChEMBL
35289,O=S1(=O)CCC2C(O)CC(O)C2CN1,0,GDB ChEMBL
389054,CCCC1CC2(C)CCC1C(C)O2,0,GDB ChEMBL
107667,COC1(C)CC2CC1C1CC(C[NH2+]1)O2,0,GDB ChEMBL
56612,Fc1cccc2c1OC1C=C3CCC3C2C1,0,GDB ChEMBL
61307,Nc1ncc(Oc2cscc2CC[NH3+])cc1O,0,GDB ChEMBL
47795,N#Cc1ccnc(C(=O)S(N)(=O)=O)c1,0,GDB ChEMBL
238557,COCC(N)C(C)(C#N)NC1CC1,1,GDB ChEMBL
64346,CCC(C)CCCC1Cc2cccc(Br)c2C1,1,GDB ChEMBL
116402,N#CC(N)CNC12CCC(C1)NC2=O,0,GDB ChEMBL
191709,CCCCOC(N)=[NH+]C(C)CO,0,GDB ChEMBL
316280,CCCC(CN)[NH+]1CC2C=C(C)C1C(C)C2,0,GDB ChEMBL
22557,CC1CC1C[NH+]1CCCC(=O)CC1,0,GDB ChEMBL
147891,CC(C)CNC(=[NH+]CC(C)[NH3+])C(N)CO,0,GDB ChEMBL
33235,N#CC1CC(C=O)NC(=O)NC(N)=N1,0,GDB ChEMBL
242948,C[NH2+]C(CCOS(N)(=O)=O)C(OC)C(N)=O,0,GDB ChEMBL
151160,C#CCCC1CC2(CC#N)COC(CC[NH2+]1)C2,0,GDB ChEMBL
377806,CC[NH2+]C(C)Cc1cc(N)c(CCC(=O)[O-])s1,0,GDB ChEMBL
332698,CCCCC1C23COCC12CC(C(C)=O)C3,0,GDB ChEMBL
109530,CC(C#N)C(C)C1(C)CCCCC1C,0,GDB ChEMBL
388390,C#CC(=O)NC1CC[NH+](C)CC(O)(C[NH3+])C1,0,GDB ChEMBL
383273,C[NH2+]C(C)(C)CC(=[NH2+])NCC#N,0,GDB ChEMBL
146028,[NH3+]C1CCCC([NH3+])C(O)C1O,0,GDB ChEMBL
124747,CNC(=O)CC(C#N)CC(CO)NC(N)=[NH2+],0,GDB ChEMBL
98851,C[NH2+]CC1CC2CCC1C2O,0,GDB ChEMBL
28264,NC(=[NH2+])C1N=C(C(N)C(N)=O)NCC1O,0,GDB ChEMBL
348837,C#CC1(C)CNc2cc(F)cc(C)c2CC1=O,1,GDB ChEMBL
382142,C=CC1CCOCC=C(C)C(C)C1,0,GDB ChEMBL
285599,CCN1C(=O)NCCC2CC(C)(C)C21,1,GDB ChEMBL
315151,NC1C(=O)OC(C[NH3+])CC1CO,0,GDB ChEMBL
21586,CC(=O)Cc1ccc(O)c(=O)nc1,0,GDB ChEMBL
13135,CC1C=C2CCC3CCC(C3)C2[NH+](C)CC1,0,GDB ChEMBL
132202,CCOCCC(C(N)=O)S(=O)(=O)[O-],0,GDB ChEMBL
116637,CC1CCCC(C)(C2CC(O)CC2C)C1,0,GDB ChEMBL
328815,CN1CCOCC12COC2=O,1,GDB ChEMBL
229409,CCCc1sc(C)nc1N,1,GDB ChEMBL
184483,CC(CNC(N)=[NH2+])Cc1csc(=N)c(O)c1,0,GDB ChEMBL
288139,CCCC1C2(O)C[NH2+]C(C(O)C[NH3+])C12C,0,GDB ChEMBL
361034,CC1CC(O)C([NH3+])C(CO)N(C)CC1[NH3+],0,GDB ChEMBL
166429,CC(COC(=O)C(CO)NC(N)=O)=NO,1,GDB ChEMBL
312212,C#CCN(C)C1CC2=C(CC(C)C2)C1[NH3+],0,GDB ChEMBL
251871,C#CCC(C)CCC1(C)CC2CC2C1,0,GDB ChEMBL
115707,Cc1nc(Cl)cc(CO)c1C#CC(=O)[O-],0,GDB ChEMBL
227290,CCCc1cc(F)c(N)cc1C([NH3+])CC[NH3+],0,GDB ChEMBL
266463,C#CC1NC(=O)C(O)(C#C)CCC1[NH3+],0,GDB ChEMBL
116086,CC([NH3+])C1(C)NC(=NCC(=O)[O-])COC1=O,0,GDB ChEMBL
148337,CC(=O)C1NCC(=O)OCC(O)C1(C)CO,0,GDB ChEMBL
230388,O=CC(=O)COCCCc1cnc[nH]1,1,GDB ChEMBL
139805,CCC([NH3+])CS(=O)(=O)NC(CO)C(=O)NC,1,GDB ChEMBL
81413,CC1(CCCC#N)CC2C(C#N)C2C1,0,GDB ChEMBL
276092,CC(C)c1ncc(C2CC2)c(Cl)c1CO,1,GDB ChEMBL
359154,COC1CC=C(C)CCCCC=C(C)C1C,0,GDB ChEMBL
20513,CCN(CCO)C1(C(N)=[NH2+])CNS(=O)(=O)C1,0,GDB ChEMBL
223273,CN1CC(C=O)C=CC1(CO)CC(F)(F)F,0,GDB ChEMBL
22045,C#CCCC[NH+]1CC1C(CC)CC,0,GDB ChEMBL
26058,CC1CC(CO)C2C3NC(=O)C1C32[NH3+],0,GDB ChEMBL
170121,NC(=O)C1C(O)C1[NH+]=C(N)N,0,GDB ChEMBL
288119,C=CC(O)C1C=C(CCOC)CC1,1,GDB ChEMBL
38536,CN1CC([NH3+])CC1(C#N)C#N,0,GDB ChEMBL
76743,CNC(=[NH2+])OCC(N)CNC(N)=[NH2+],0,GDB ChEMBL
274154,Cc1ccc2c(c1)C1C(=CCCC13CC3)C2,0,GDB ChEMBL
7823,OCCC1CC[NH2+]CCC[NH2+]1,0,GDB ChEMBL
60610,C#CCC(CCC)CCC(C)CC,1,GDB ChEMBL
147888,O=CC1(C(O)CC2COC2)CC1,1,GDB ChEMBL
397955,[NH3+]CC1CN(CC([NH3+])CC(O)C(=O)[O-])C(=O)O1,0,GDB ChEMBL
87554,CCOC1CC(C)(CC#N)Cc2c1noc2C,0,GDB ChEMBL
394330,CC1NCC(O)C2(CO)CN2C1=O,0,GDB ChEMBL
388457,CCCC(C)(C)CC(C)c1c(C)cccc1C,1,GDB ChEMBL
303925,CCC1(O)CC1Cc1csc(C(C)C)n1,1,GDB ChEMBL
84463,NC(=[NH2+])Nc1cc(C[NH3+])cc(O)n1,0,GDB ChEMBL
70879,[NH3+]C12CNC(=O)CC(O)C1OC2,0,GDB ChEMBL
387339,CC1=CC#Cc2nccn2CC2(C[NH2+]C2)C1,0,GDB ChEMBL
395945,C#CCC(N)C(=[NH2+])NCC(N)=O,0,GDB ChEMBL
320463,C#CC1CC(CC)(C(O)CCC)C1,0,GDB ChEMBL
259527,CC#CC1(C(CC)[NH2+]C(C)(C)CN)CCC1,0,GDB ChEMBL
85701,C[NH+]1CCC2CCC1C2O,0,GDB ChEMBL
391661,NC(=O)CN1C(N)=[NH+]C2C(O)C21,0,GDB ChEMBL
112751,CC1=CC(O)(C(N)=O)CCC(O)CC1CO,0,GDB ChEMBL
316115,CC(C(=O)NC(C)C)=C1C=CC=C1,1,GDB ChEMBL
261348,CC1=CC2(CC1)CC[NH+](C)C2,0,GDB ChEMBL
125567,C#CC1(C[NH2+]C)CC2OCC(O1)C2C,0,GDB ChEMBL
392738,C[NH2+]C(C)(C)C(C)(CCO)CCOC,0,GDB ChEMBL
208329,CC(CNC(N)=O)n1ncnn1,1,GDB ChEMBL
85800,N#CC(C=O)NC(C#N)C=O,1,GDB ChEMBL
269151,CCc1cc(C#N)c(C[NH3+])c(I)c1[O-],1,GDB ChEMBL
343268,CC1=CCCCCC1CC1CCC1,1,GDB ChEMBL
120844,CNC(=O)C1CC2CC1n1ncc(C)c1O2,0,GDB ChEMBL
248627,CCC(O)C1OC1C(CC)OC,1,GDB ChEMBL
244565,CC1(C)C2C[NH2+]CC(C2)N1C=O,0,GDB ChEMBL
267901,CN(CCS(=O)(=O)C1CC(=O)C1O)C(N)=[NH2+],0,GDB ChEMBL
255478,CC(CC[NH+]=CN)n1cccc1,0,GDB ChEMBL
361035,CC1C2C=CCCC(C2)C1C(C)[NH+]1CCC1,0,GDB ChEMBL
173968,C[NH+]1C2CC2C2NC(=O)C(N)C21,0,GDB ChEMBL
339016,CN(C)C(=O)C1C(CO)CC1C(N)=[NH2+],0,GDB ChEMBL
6023,COC(=O)C1NC(=O)C(=O)C1NC=[NH2+],0,GDB ChEMBL
249520,CC1(CCC#N)[NH+]=C(N)NCC(C#N)OC1=O,0,GDB ChEMBL
29703,CC1C2CCC(CC13CO3)[NH+]2C,0,GDB ChEMBL
66126,Cc1c(C=O)c2n(C)c1NCC[NH2+]CCC2,0,GDB ChEMBL
371708,COC1C(C(N)=O)C1C(O)C([NH3+])C(N)=O,0,GDB ChEMBL
76692,C#CCc1sccc1CCCCC,1,GDB ChEMBL
26612,O=C1NC2CN3CC2OC(=O)C13,0,GDB ChEMBL
130589,CC(C)c1cc2c(cc1I)CCC(CO)O2,1,GDB ChEMBL
7398,CNc1ccccc1CC12CCC(CC1C)C2,0,GDB ChEMBL
195434,CCC([NH3+])C1NCC(C(=O)[O-])C([NH3+])C([NH3+])C1C,0,GDB ChEMBL
38771,COC12CC(CC1C)C(O)C(=O)C2CO,0,GDB ChEMBL
89345,C[NH+]=C(N)OC(C)C1CN1,0,GDB ChEMBL
132876,C[NH2+]CC1CCC2(C3CC2C(CO)O3)N1C,0,GDB ChEMBL
95584,C[NH+](C)CC(C)(C)Cc1cnoc1C(=N)N,0,GDB ChEMBL
352665,CC1=CC2CCC1NC(=O)C2,1,GDB ChEMBL
54085,CC(C)C1CC=CC2(CC[NH+](C)C2)C1,0,GDB ChEMBL
202485,CN(C)C1(C#N)CN(CC(=O)[O-])C(C#N)C1N,0,GDB ChEMBL
256138,CC(O)C1CC(CO)([NH+](C)C)C1,0,GDB ChEMBL
119844,CC1NC1c1ccnc(C(N)=[NH2+])c1[O-],0,GDB ChEMBL
302279,C#CCn1cc2c(c1C)C([NH3+])CCC([NH3+])CC2,0,GDB ChEMBL
50289,CC1CCC23Cc4ccccc4CCC12C3,0,GDB ChEMBL
203241,NC(=[NH2+])CC1CC1C(N)=O,0,GDB ChEMBL
279106,N#CCC[NH2+]C1(CCCCC(F)(F)F)CC1,0,GDB ChEMBL
362960,CCCOC1CC(C)C([NH3+])(CNC=O)C1,0,GDB ChEMBL
349991,NC1=[NH+]C2CC(C=O)(CC(CO)CN1)C2,0,GDB ChEMBL
284668,N#CC(CO)n1ccc(CCCCC[NH3+])n1,0,GDB ChEMBL
355391,CC(CCS(N)(=O)=O)C(=O)C1CO1,0,GDB ChEMBL
235203,Cc1nsc(NC(=O)OCC2CC(C)[NH2+]2)n1,1,GDB ChEMBL
394286,CC(C)C(CO)OCC(O)(C[NH3+])C[NH+](C)C,0,GDB ChEMBL
226244,COC1C(O)C2NS(=O)(=O)C1C2C[NH3+],0,GDB ChEMBL
86695,CCCC12CCC(C[NH+](C)C(C(C)C)C1)C2,0,GDB ChEMBL
234275,C#CC(O)C(=O)CC(C#N)C(C)(C)CCC,1,GDB ChEMBL
305205,CC1CCC(C)C2(CC2)C1C(C)(C)O,1,GDB ChEMBL
207721,CCOC(C(N)=O)C(CC)C1C(C)C1C[NH3+],0,GDB ChEMBL
304385,CS(=O)(=O)CN1C(=O)[N-]C(C#N)C1=O,0,GDB ChEMBL
362977,C[NH2+]CC1(CO)CC(CC(=O)[O-])O1,0,GDB ChEMBL
182870,C#CC(C)(OC)C(=O)CCC#CCC,1,GDB ChEMBL
274613,COC(=O)NC1=NCCNS(=O)(=O)C(C)C1,0,GDB ChEMBL
150152,CC1CN2C(=O)C(N)C[NH+](C)C3C1C32,0,GDB ChEMBL
288686,C#CCCc1cc(Cl)c(CCO)c(CCC)c1,1,GDB ChEMBL
346850,CCCNC(N)=[NH+]CC(=O)C(N)=O,0,GDB ChEMBL
203580,NC(=O)C1(C(=O)[O-])CN(C=O)C1,1,GDB ChEMBL
334096,CNC(=O)C1OCC([NH3+])C2(O)CC12,0,GDB ChEMBL
251912,CC1OC2C(CC#N)CC1C2O,0,GDB ChEMBL
139820,C=CCC([NH2+]CCO)C(C[NH3+])C[NH3+],0,GDB ChEMBL
59578,C[NH2+]CC(C=O)NC1=[NH+]CC(COC)C1,0,GDB ChEMBL
45713,Fc1ccc2c(c1)CC1CCCCC21,1,GDB ChEMBL
179337,NC(=O)CC(CO)OC1C([NH3+])C1(O)C(=O)[O-],0,GDB ChEMBL
124211,CC1(c2cnc(NCC[NH3+])cn2)CCC1,0,GDB ChEMBL
330964,C#Cc1ccc(C(C#C)C#C)c(C)c1,0,GDB ChEMBL
197220,CCCC1(C)C2CCCC(C2C)C1C(C)CC,0,GDB ChEMBL
54837,CCCC(C)(C)CCc1c(C)cc(Cl)cc1Cl,1,GDB ChEMBL
96075,CCC1(C)C(O)C(C)CC[NH+]1C,0,GDB ChEMBL
151148,C[NH2+]CC1C(O)C=CC1C(C)C,0,GDB ChEMBL
129811,CC1CNS(=O)(=O)OC1C([NH3+])CC[NH3+],0,GDB ChEMBL
132207,CC[NH+]1CC2CC(C)CC2(C)C1,0,GDB ChEMBL
66141,CCCC12Cc3cccc4c3C1C2C4C#N,0,GDB ChEMBL
191574,CC(C#N)(CN1CC1CCO)NS(C)(=O)=O,1,GDB ChEMBL
174873,CCOCCCC1CCOC12CCC2,0,GDB ChEMBL
181112,CC1CC2CC2C(C)NC1=O,1,GDB ChEMBL
294457,C#CC(C#N)(C=C)CC(O)CC[NH3+],0,GDB ChEMBL
107790,CCC1CC(C(C)C)=CC([NH2+]C)C1O,0,GDB ChEMBL
47718,C#Cc1nn(CCC)c(C[NH3+])c1C,0,GDB ChEMBL
240391,CC([NH3+])C(C)(C(=O)[O-])C1=CCC([NH3+])C1,0,GDB ChEMBL
331728,C#CCC1C[NH+](CCC)CC(C)(C#C)C1CC,0,GDB ChEMBL
259149,NC(=O)C(N)(CO)C(=O)NC(=O)CO,1,GDB ChEMBL
357659,CC(=N)N(C=O)CC(CO)(CCC#N)C(C)=O,0,GDB ChEMBL
386435,CCC(C#N)OC1C(C(=O)[O-])C1(N)C[NH3+],0,GDB ChEMBL
205929,CC(C)C(C)C1=CCC(CO)C1,1,GDB ChEMBL
204503,NC(=O)CC1C(=O)COCC2CN21,0,GDB ChEMBL
81792,C#CC1CC(C(C)CCC=C)C[NH2+]1,0,GDB ChEMBL
185932,O=C(NCCO)N1CCOCC1=C1COC1,0,GDB ChEMBL
266493,CCC(C)CC(C)(C)CCOC1CCCC1C,1,GDB ChEMBL
77349,C#CC1([NH3+])CCCN(C)C(CC(C)[NH3+])C1,0,GDB ChEMBL
338166,CN1C(=O)NCc2c1n[nH]c2C(=O)[O-],0,GDB ChEMBL
374923,CC(C)CC(C)CC#CC#CCC1CC1,1,GDB ChEMBL
176515,COC1CC2CC3C[NH2+]C1CC2O3,0,GDB ChEMBL
266267,CCC1(Cc2csc(C(C)C)c2)CC1,1,GDB ChEMBL
1106,CC#CCCc1cc(Br)cnc1Br,1,GDB ChEMBL
245525,CC#CC1(O)C=CC(OC(C)=O)C1,1,GDB ChEMBL
374884,C#CCCC1C(C)CCC(C)CC1C(C)(C)C,0,GDB ChEMBL
375511,C=CC(CCC)C1CCCC1C#N,1,GDB ChEMBL
387317,NC(=NCC(O)C=O)c1ccncn1,0,GDB ChEMBL
44969,C#CC(C)CN(C=O)CC1([NH3+])CCC(O)CC1,0,GDB ChEMBL
263850,CO[C-](C#N)C(=O)CC#N,0,GDB ChEMBL
205917,CCOC1(C)CC2(C=O)CC1CCCCC2C,0,GDB ChEMBL
162924,CCC([NH3+])CNC(CO)CO,1,GDB ChEMBL
321966,CCN(C)C(=O)C1CC2([NH3+])CC(N1)C2O,0,GDB ChEMBL
147367,CCC1NC(=[NH2+])OC1(CO)CS(N)(=O)=O,0,GDB ChEMBL
193814,C#CC([NH+](C)C)C1(CCC)CCC(CC)C1,0,GDB ChEMBL
22830,CCC(C(C)C)C1(O)CCOC1,1,GDB ChEMBL
53857,CC1NCC(O)C(=O)NC1=N,1,GDB ChEMBL
182905,CC1OC(C2CCCO2)C(C)C1C=O,0,GDB ChEMBL
163872,Cc1ccnn1C(CC[NH3+])c1ccc(C#N)o1,0,GDB ChEMBL
238533,CC(=O)CC1NC(C)C(=O)NCCC1=NO,0,GDB ChEMBL
240455,Nc1nn(CC(O)C[NH3+])cc1C(O)CO,0,GDB ChEMBL
76994,CN=CNC(=O)C(C)N(C=O)C(N)=O,1,GDB ChEMBL
221954,COCC1C2C=CC1C(=O)NC2,1,GDB ChEMBL
234244,CNC(=O)C1CC(O)C(CO)C(N)C1NC=[NH2+],0,GDB ChEMBL
167316,CNC=[NH+]CC(O)(CC[NH3+])C(=O)[O-],0,GDB ChEMBL
137397,C=C(CC)C1(C(C)C)CCCCC1,1,GDB ChEMBL
255465,CC1C2CCCC(C)(C)C(CC2)C1C,0,GDB ChEMBL
217084,CCC1CC2CCCC(C(C)C)C(C1)C2(C)C,0,GDB ChEMBL
11020,CC1(C)CCOCC[NH2+]CC(CC#N)C1C[NH3+],0,GDB ChEMBL
200985,CN1C(=O)OCC1=NCc1ccnn1C,0,GDB ChEMBL
252593,CCC(C)C(C)c1c(CCO)[nH]c(C)c1C#N,0,GDB ChEMBL
297050,CC(C)CC1(O)CCC[NH+](C)C1,0,GDB ChEMBL
148815,C[NH2+]C1CC(C)C2C(O)C([NH3+])C(C)(C)CC12,0,GDB ChEMBL
351191,NS(=O)(=O)CCC[NH+]1CCC1,0,GDB ChEMBL
89667,C#CCC(C(C)C)C1(C(C)CC)CC1,1,GDB ChEMBL
368478,C#CC(C(C)OC)C(F)(F)F,1,GDB ChEMBL
252707,CC(C#N)c1cc(N)nc(NCC=O)n1,1,GDB ChEMBL
171307,C#Cc1cn(C)nc1N(C)CC=O,1,GDB ChEMBL
141820,CC1=C2CCC(C2)c2c(C)cccc2CC1,0,GDB ChEMBL
242949,CC1C2CC3C(=O)NC2CCC31,0,GDB ChEMBL
80295,CC1CC(CC2CC=CCC[NH+]2C)C1,0,GDB ChEMBL
324026,C#CCC(CC)C(C)C1CN1C,0,GDB ChEMBL
298036,CC(=N)OCCCC[NH2+]CCCO,1,GDB ChEMBL
18812,COC1CCC(CC(C)C)C1,1,GDB ChEMBL
317570,C#CCC(C)CCC(CC=NO)CC[NH2+]C,0,GDB ChEMBL
331456,CC1([NH3+])CCCC1(C)c1cccnc1F,0,GDB ChEMBL
170089,CCCC1CC(CO)(CC(=O)OC)C1=O,1,GDB ChEMBL
379114,C#CCN1C(C)C=CCCC1(C)C(F)(F)F,0,GDB ChEMBL
61894,NC1=NCCCCC[NH+]=C1N,0,GDB ChEMBL
337086,CCCCC1C(C)C12C=CCCC2,0,GDB ChEMBL
125625,C#CCCCC(C)(C)CCOC,1,GDB ChEMBL
185312,CC1CCC2(C)CCC1CC(C)(C)N2CC[NH3+],0,GDB ChEMBL
132258,CCC1=CC2C(OC1)C1C(C#N)CC2N1C,0,GDB ChEMBL
182914,CC1NC2CC(C2)OC1=O,1,GDB ChEMBL
378290,C#Cc1cc(F)ccc1-c1cc(F)ccc1C,1,GDB ChEMBL
334386,COCC1(C(O)C(=O)[O-])OC(=O)[N-]C1=O,0,GDB ChEMBL
184259,CC(C)N(C=O)CC1COC(=N)CC(=O)N1,0,GDB ChEMBL
127043,CC(C#N)C(O)CC(=N[O-])C(=O)NCC=O,0,GDB ChEMBL
398864,Cc1c(F)ccc2c1C1CCC(C)(C)C2C1C,0,GDB ChEMBL
51383,C#CCC1CN(CCC)C1=O,1,GDB ChEMBL
129612,CC(O)C(C)C(=O)N1C(C#N)CNCC1CO,1,GDB ChEMBL
358288,COC1CC2OC1(C(C)CCO)CC(C)C2C,0,GDB ChEMBL
283271,CC(C)(CO)C([NH3+])(CO)CCC(=O)[O-],0,GDB ChEMBL
16033,CC(C)C1CCCCCCc2ccc(F)c1c2,1,GDB ChEMBL
67834,CCC1C[NH+]2CC(C[NH3+])OC3CCOC1C32,0,GDB ChEMBL
131652,CC1(C(C)(N)C(N)=O)C[NH2+]CC(O)C1,0,GDB ChEMBL
383297,CNC(=O)C1CC(CC#N)C1,1,GDB ChEMBL
263867,CC1CCC(C(N)C#N)[NH2+]1,0,GDB ChEMBL
358140,CCNc1cccc(Br)c1NC,1,GDB ChEMBL
269216,CCCCC1CC2(C)CC1(C)C(C)C2C,0,GDB ChEMBL
34981,C[NH2+]C(C)C1C=CCC=CCC1O,0,GDB ChEMBL
101547,C[NH2+]C(C)C1C=CCC=CC1,0,GDB ChEMBL
11018,C#CC(=O)C1OC(=O)CC1C(=O)NC(N)=O,1,GDB ChEMBL
320472,CN(C=O)C(=O)NCC(C=O)CO,1,GDB ChEMBL
375139,COc1nc(C=O)cc2c1cc1n2CCN1,0,GDB ChEMBL
241113,COC1C=CC(C)CC[NH+]=C(N)NC1,0,GDB ChEMBL
295886,CC1CC(=O)N(C2C([NH3+])C2O)CC1[NH3+],0,GDB ChEMBL
210207,CN1C(=O)C2NC2(C(N)=O)C1C(=O)[O-],0,GDB ChEMBL
392518,CNC1=NCCC(O)(C[NH3+])C(=O)N1,0,GDB ChEMBL
304594,CC1=CCCCC2C(C=CCCC1)C2(C)C,0,GDB ChEMBL
222076,CN(C)C(C[NH+]1CCC(O)C1)C1([NH3+])CC1,0,GDB ChEMBL
324030,CCC12NC(=O)c3cnn(c31)C2C(=O)[O-],0,GDB ChEMBL
79329,C#CC(C)(C)OCCc1cc(O)c(Br)cc1C,1,GDB ChEMBL
200745,[NH3+]CC1C2C(O)C([NH3+])CCC(=O)N12,0,GDB ChEMBL
363269,Cc1ncc2c(Br)ccc(N)c2c1C(C)(C)C,1,GDB ChEMBL
308703,NC(=O)CC1NC1C([NH3+])CC(O)CO,0,GDB ChEMBL
136481,CC1Cc2c(c(F)cc(O)c2C2([NH3+])CC2)O1,0,GDB ChEMBL
120551,CC1NC(=N)NC(=O)C2[NH2+]C1CC2N,0,GDB ChEMBL
302278,CCC(CC1OCC2(C=O)CC12)[NH2+]C,0,GDB ChEMBL
22503,C#CC1CCCC=CCC2(CCCC1)CC2,1,GDB ChEMBL
29954,C#Cc1ccc(C(CC)C(C)C)cc1I,1,GDB ChEMBL
390100,C#CC1CC(C(C)C)C2CC[NH2+]CCC1CC2,0,GDB ChEMBL
174936,COC(C)(C)C1CNC(=O)C(C=NO)C[NH2+]1,0,GDB ChEMBL
131678,CC(=O)NCC1(C)CCC(=[NH2+])N1,0,GDB ChEMBL
320282,CC1CC[NH2+]C2(CC(=O)NC(=N)N)CC12,0,GDB ChEMBL
129581,C[NH2+]CC1=CCC(O)C1C(=NO)C(=O)[O-],0,GDB ChEMBL
175586,C=CCC1(C)C(CC[NH3+])CC2CC21,0,GDB ChEMBL
98587,CCC[NH2+]CC1C[NH+](C)C(C)C(C)(CO)C1O,0,GDB ChEMBL
313375,CC(O)C(C)C1CC1C(=O)[O-],0,GDB ChEMBL
270067,CC(=[NH2+])NC(Cc1nnnnn1)C(=O)[O-],0,GDB ChEMBL
343238,CCCC1(C)NC(=O)C2C(C)C21C[NH2+]C,0,GDB ChEMBL
50886,N#CCC1NC2CC1S(=O)(=O)NCC2CO,0,GDB ChEMBL
337992,COCC=CC#CC(C)NC(C)=[NH2+],0,GDB ChEMBL
292684,CCCC1(N)C([NH3+])CCC1C(O)CO,0,GDB ChEMBL
142914,COCCC(C)C(OC)C1[N-]S(=O)(=O)C1O,0,GDB ChEMBL
50868,CCC1C[NH+](C)C(C)CC(=O)O1,1,GDB ChEMBL
21582,CN1CC2(O)C3CC1C(O3)C2O,0,GDB ChEMBL
53299,CC12CC(C[NH2+]CC(=O)NC(C=O)C1)C2,0,GDB ChEMBL
254937,CC1=CCC[NH+]2CCCC1CC1CC12,0,GDB ChEMBL
204436,CC(CO)CC1CC1C(C)O,1,GDB ChEMBL
169413,CN(C)C(=O)C(N)=O,1,GDB ChEMBL
100726,CC1COC(C2C(C)CC3CN2CC[NH2+]3)C1O,0,GDB ChEMBL
78330,CCCC1CC(C)(C(C)C)CCCC(C)C1C,0,GDB ChEMBL
261445,C[NH2+]C1CN(C)C(=O)C2(CC2)C1,0,GDB ChEMBL
254878,CN1CCC([NH2+]C2C3CC(O3)C2(C)O)C1,0,GDB ChEMBL
358532,c1cc(C2(C3CC4CC[NH+]3C4)CCC2)cs1,0,GDB ChEMBL
26424,C#CC(C#C)CC1(C)C[NH+](C)CCO1,0,GDB ChEMBL
378099,CC(C)(C)C1([NH3+])CC2CCC(=O)OCC2(O)C1,0,GDB ChEMBL
298940,CC(CC(N)=O)C12OC1S(=O)(=O)NC2C[NH3+],0,GDB ChEMBL
46049,CC1(O)CCC(=O)OC(S(N)(=O)=O)C1O,0,GDB ChEMBL
243748,CCc1nc(C#N)nc(O)c1N,1,GDB ChEMBL
48487,O=C1NC(=O)C2OC1C(O)C2CO,0,GDB ChEMBL
41295,CCS(=O)(=O)N1CC1C(O)CCO,1,GDB ChEMBL
80328,CCC1C2CC(C#Cc3ccsc3)[NH+](C)C12,0,GDB ChEMBL
349477,CC(=[NH2+])NCC1(C)C([NH3+])CCC1C(=O)[O-],0,GDB ChEMBL
118852,C[NH2+]C(C(=O)[O-])C(C)NC=O,1,GDB ChEMBL
33575,C#CC1CNCC(CO)N1C=O,0,GDB ChEMBL
235696,COC(C([NH3+])CS(N)(=O)=O)C(O)C(C)[NH3+],0,GDB ChEMBL
380251,C#CC([NH+](C)C)C1(C)CCC2C=CC1C2,0,GDB ChEMBL
140770,CCC1(CC)C2CCCC1(c1cccs1)CC2,0,GDB ChEMBL
354147,CCC1C2CC(C[NH+]1CC)C1CCCC1C2C,0,GDB ChEMBL
76390,CCC1(CN(C)C)C=C(CC(C)=O)C[NH2+]1,0,GDB ChEMBL
332400,CC1NC(=O)C2(C(=O)[O-])NC(=N)OC12,0,GDB ChEMBL
279133,CCC(C)C1(CO)NC(=O)NC(=N)C1C(C)[NH3+],0,GDB ChEMBL
259578,Cc1ccc(O)c2c1C1(CCCCC1)CC2=O,1,GDB ChEMBL
358935,COCC1CC(O)C(N)(C[NH3+])CN1C,0,GDB ChEMBL
182536,OCCc1sc(CCO)c2c1CCC2,0,GDB ChEMBL
53839,COC1C([NH3+])C1C(C)(C)O,0,GDB ChEMBL
93714,NC(=O)OC1CC(CO)C2NC12,0,GDB ChEMBL
88160,CNC(=O)N1CC(C)(CO)OC1=N,1,GDB ChEMBL
89367,NC1=[NH+]C2CC13OC3C2C(=O)[O-],0,GDB ChEMBL
218771,CCC(O)CC1=CCC=CC(CC(C)=O)C1,0,GDB ChEMBL
118406,CC1C2CCC(CO)C1[NH2+]C1CC1C2,0,GDB ChEMBL
277773,C=CCC1C[NH2+]C(C)(COCC)C1,0,GDB ChEMBL
9891,CC1=CC(CCC=O)C[NH+](C)CC2(CC2)C1,0,GDB ChEMBL
90320,C#CC(CO)[NH2+]CC(C)CC,0,GDB ChEMBL
6026,N=C(OC1C(CO)CC(=O)NC1CO)C(=O)[O-],0,GDB ChEMBL
98836,COC(C)COCc1cnc(CC#N)s1,1,GDB ChEMBL
31771,NC(=O)CC1[NH2+]CC12CN=C(N)O2,0,GDB ChEMBL
148771,FC(F)(F)c1ccncc1I,1,GDB ChEMBL
21584,CCC(CCC1CCCCCC1)C(C)(C)[NH2+]C,0,GDB ChEMBL
283951,CC[NH+](C)CC1C([NH3+])CC12CCC=C2C,0,GDB ChEMBL
110196,CCC1(C#N)C(NC(N)=O)C([NH3+])C1OC,0,GDB ChEMBL
228363,CCN(C)C(=O)C1C(=O)[N-]S(=O)(=O)C12CO2,0,GDB ChEMBL
13771,COC1C(=O)NC2C(O)C2(O)C1C,0,GDB ChEMBL
132851,C#CC(C#C)C(C)C([NH3+])CCC,0,GDB ChEMBL
41138,CC1C[NH2+]C(CC(C(C)O)C2(C)CC2)C1,0,GDB ChEMBL
151744,COCC1C[NH2+]C(C2OC(=O)C2(C)N)C1,0,GDB ChEMBL
339027,C[NH2+]CC1CNC(=O)C1[NH+]=CN,0,GDB ChEMBL
308149,CC1CC2C[NH2+]CCC(C2[NH3+])C1C#N,0,GDB ChEMBL
236649,CNC(=O)C1OCC1(OC)C(C)C,0,GDB ChEMBL
21516,C[NH+]=C(N)NC(=NCC1(O)CC1)OC,0,GDB ChEMBL
321963,CCC1C[NH2+]C(C)CCC#CC(C)(C)N1,0,GDB ChEMBL
330096,C[NH2+]CC1C2([NH+]=C(N)N)CNC(=O)C12O,0,GDB ChEMBL
355279,NC1C(=O)OC2C(C(=O)[O-])OC(=O)C12,0,GDB ChEMBL
23630,Oc1cccc2c1CC1C[NH2+]CC1=C2,0,GDB ChEMBL
218567,CCC(OC)C(C)Nc1cc(C)c(O)c(F)c1,1,GDB ChEMBL
389043,CC(C)C(C)C1(C)C(=O)N(C)CC2CC21,0,GDB ChEMBL
261382,CCCCC(C)[NH+]1CC=CC1,0,GDB ChEMBL
86687,Cn1nnc(N)c1NC(=O)C(=O)NCCC[NH3+],0,GDB ChEMBL
31046,[NH3+]CC(O)C(C[NH3+])(C[NH3+])CCO,0,GDB ChEMBL
251050,CCCN=c1cc(Br)c([O-])c(C(F)(F)F)[nH]1,0,GDB ChEMBL
184626,C[NH+]1CC2=C(C1)C1CC1[NH2+]C1CC21,0,GDB ChEMBL
133955,[NH3+]C1C(O)C(=O)N2C(=O)NC(=O)C2C1O,0,GDB ChEMBL
168425,CCC(O)C1CNS(=O)(=O)C2C(C#N)C12,0,GDB ChEMBL
109524,C=CC1CC([NH3+])C(C[NH3+])C1CCC,0,GDB ChEMBL
112064,Cc1ccc2c(n1)N1CC1C1(C)CC[NH2+]C21,0,GDB ChEMBL
263307,CC1CCC=CC2=CC1C([NH+](C)C)C2,0,GDB ChEMBL
24743,COCC([NH3+])(CO)CC[NH3+],0,GDB ChEMBL
99086,C#CCC1C(CCO)C1C(C)(C)CC,0,GDB ChEMBL
291934,CCN(c1c(C(C)C)ccc(C)c1Br)C(C)C,1,GDB ChEMBL
195500,CC(C=NO)(CO)NC(=O)C1CCC(=[NH2+])N1,1,GDB ChEMBL
369282,C#CCC(=O)NCC(C=O)(COC)NC,1,GDB ChEMBL
263399,CCCC(C)(O)C#CCC1CCC1,1,GDB ChEMBL
331131,COC(C)C12COC(=O)C1N2CC#N,0,GDB ChEMBL
200541,Cc1cc(Br)c2c(c1)C1(C)CC1(CO)O2,1,GDB ChEMBL
349496,CNC(=NCC#N)C1(C)CC(=O)C(=O)O1,0,GDB ChEMBL
38202,CC1CCCCCC(C(C)C(C)C)C(C)(C)C1,0,GDB ChEMBL
97138,C#CC#Cc1cnc(N)c(C)c1,1,GDB ChEMBL
363518,CC(C)CC12CCC(CC(C)CC1=O)C2,0,GDB ChEMBL
398708,N#Cc1cc2n(c1)C1C([NH3+])C(O)C1OC2=O,0,GDB ChEMBL
338933,COc1cnc(=N)c([NH+]=CN)c(CC(=O)[O-])c1,0,GDB ChEMBL
392734,C#Cc1sc(N)cc1C(C)N(C)C(N)=O,1,GDB ChEMBL
83488,NC(=O)C1NC(=[NH2+])C2NCC([NH3+])COC1C2O,0,GDB ChEMBL
45699,CC1CC2(CCNC(=O)C(O)C2)[NH+]1C,0,GDB ChEMBL
89320,CCCc1c(C)c(C)n(C)c1C(C)C1CC1,1,GDB ChEMBL
77748,C[NH2+]CC12OC(C)CC1C2(C)CO,0,GDB ChEMBL
247355,C#Cc1cc(Cl)nc(CO)c1,1,GDB ChEMBL
306338,C1C[NH2+]C2CC([NH2+]1)C1C3CCC(C3)C21,0,GDB ChEMBL
108177,C#CCC(=O)N(CC(C)=O)C(=O)n1cnnn1,1,GDB ChEMBL
22533,CN=COc1ncccc1C(C)O,1,GDB ChEMBL
224001,C#CC(C[NH3+])C(O)C1OC(=O)C2C[NH2+]CC21,0,GDB ChEMBL
87150,C#CC(C(C[NH3+])OC(C)(C)C)C1(CC)CC1,0,GDB ChEMBL
262538,O=C1NC(=O)C(O)C(O)C(=O)N1,1,GDB ChEMBL
368424,COc1cc(O)nc(N)c(=O)c1CC(N)=[NH2+],0,GDB ChEMBL
75064,NC(=O)C([NH3+])CC(=O)OC1CC1O,0,GDB ChEMBL
246429,CCC1([NH3+])CC(OCC[NH2+]C)C1(O)CO,0,GDB ChEMBL
280676,CC#Cc1cc(F)c(COC)c(F)c1,1,GDB ChEMBL
132264,CCCc1nc(F)c(CCC)c(CC)n1,1,GDB ChEMBL
263197,CCC1[NH2+]CC(O)C2OC(=O)C(=O)C12,0,GDB ChEMBL
151267,CC1([NH3+])CC2CCOC2C1C([NH3+])C(=O)[O-],0,GDB ChEMBL
203650,Cc1nc(O)nc(NCC(=O)[O-])n1,1,GDB ChEMBL
138391,CNc1nnc(C#CCN(C)C(C)=O)o1,1,GDB ChEMBL
70855,CC1(C)C=C(c2cc(F)cc(F)c2F)CC1,1,GDB ChEMBL
354118,CCC1OCC(O)C1[NH+]=C(C)N,0,GDB ChEMBL
81011,[NH3+]C1C2C(C(=O)[O-])NC(=O)C12O,0,GDB ChEMBL
288453,C#CCCCCCC1C2CC(CC)C(C)C12,0,GDB ChEMBL
308659,CCC(=O)C(C)(O)C1CNC(=O)N1CC(=O)[O-],0,GDB ChEMBL
78670,CCCCC1CC(CC)C2[NH2+]CC(CC)C12,0,GDB ChEMBL
156141,C#CCCCC(C)(C)C1CC(C)CC1CCC,0,GDB ChEMBL
362995,C=CC(C)NC(=N)C(O)C(=O)OC,0,GDB ChEMBL
386603,CCC1CCC2OCC(C[NH2+]C2(C)C(=O)[O-])C1,0,GDB ChEMBL
40012,COCC#CC1C(CO)CC1(C)CS(N)(=O)=O,0,GDB ChEMBL
70325,CCC(CO)C[NH+]1CCC2C(CC)C21,0,GDB ChEMBL
111917,CC1(C)CC2C[NH2+]CC1C2c1ncccc1Cl,0,GDB ChEMBL
337428,NS(=O)(=O)OC1OC(CO)CC1C[NH3+],0,GDB ChEMBL
3794,CS(=O)(=O)NC1C(O)C(N)C(C#N)C1C[NH3+],0,GDB ChEMBL
5884,C#CC(=O)[N-]C(C#N)c1cocc1C(=O)CC,0,GDB ChEMBL
284894,CCC1C([NH3+])C2CN(S(C)(=O)=O)C(C#N)C1O2,0,GDB ChEMBL
64321,CC1CC2CC(=O)OC(C1)C(C)(C(C)O)C2,0,GDB ChEMBL
361620,CCCC(C)C1=CCOCC1,1,GDB ChEMBL
216584,Fc1cccc2c1CCC1(C=C2)CC1,1,GDB ChEMBL
64295,CCCOCC1CC1[NH3+],1,GDB ChEMBL
109767,CCOCC1=CCC(C(C)(C)CC)C1,1,GDB ChEMBL
308247,CC1[NH2+]CC=C1CCC#N,0,GDB ChEMBL
132486,COC1CC2CC[NH2+]CC=C2CC1C,0,GDB ChEMBL
311043,CC(COC=N)NC(=O)CCNC(C[NH3+])CO,1,GDB ChEMBL
93150,C=CCC1CC(CCC)C1(C)CC,1,GDB ChEMBL
132438,CC[NH+]1CCC2(C[NH2+]C(C)C2(C)N)C1,0,GDB ChEMBL
43902,C=C1C=CC(O)CC(C)CCC1O,0,GDB ChEMBL
54097,C[NH+](C)C1CC(=O)OC1C1CO1,1,GDB ChEMBL
76461,CCCCC[NH+](C)CC1(CC)CC1C,0,GDB ChEMBL
280320,CNC(=O)C1(CO)C[NH+]=C(N(C)C)NC(=O)C1,0,GDB ChEMBL
107681,C[NH+]1CCC23CC(CCC2C3)C1,0,GDB ChEMBL
184889,NC(=[NH2+])N(c1cc[nH]n1)C1CC[NH2+]C1,0,GDB ChEMBL
203852,C[NH+]=C1NC(CN)(CN2CCOC2=O)CN1C,0,GDB ChEMBL
195207,Nc1nc2c(cc1Br)CC1CC([NH3+])CN1C2=O,0,GDB ChEMBL
86699,CC1CC2(C)C(C)CC3CCC(C[NH2+]3)C2CO1,0,GDB ChEMBL
26801,CC1(C)CN2C(=O)NC(C(=O)[O-])C21,0,GDB ChEMBL
12856,CCC(=O)C(C)C1([NH2+]C)CC1,0,GDB ChEMBL
358215,CCCc1cc(CC(CC)CO)c(C)cc1C,1,GDB ChEMBL
190122,CC1CCC(=O)NCCS(=O)(=O)N1,1,GDB ChEMBL
349493,CCC1OC(C(O)CO)C2CC12,0,GDB ChEMBL
230244,COC(=O)C1C2CCC([NH3+])C21OC,1,GDB ChEMBL
303364,COC1C(CO)C2CC1(CC(O)C[NH3+])C(=[NH2+])N2,0,GDB ChEMBL
71477,N#Cc1c[n-]c(=O)cc1Br,0,GDB ChEMBL
236684,CCCC1(C)CN=CN1C=NCC(=O)[O-],0,GDB ChEMBL
355316,[NH3+]CC1CCCC2=CCCN2C1=O,0,GDB ChEMBL
174942,C[NH2+]CC1(C)COCCCC(=O)C=C1C,0,GDB ChEMBL
29969,C=CCC(=O)C1(CCCC)CC1O,0,GDB ChEMBL
217098,CC1C=CC2OC2CCC1,1,GDB ChEMBL
352706,CN=C(N)C(=O)NC(CC[NH2+]C)C([NH3+])C(=O)[O-],0,GDB ChEMBL
389444,C#CC(C=C)=CC(=O)NC(=O)NC,1,GDB ChEMBL
318108,NC(=O)C(C(O)C[NH3+])C1CN1,0,GDB ChEMBL
136727,CC1CNC(=O)NC1C#N,0,GDB ChEMBL
271093,Cc1nc(N)nn1CCCO,1,GDB ChEMBL
134734,COC1C[NH2+]C2C1C2(CO)C(N)=[NH2+],0,GDB ChEMBL
149336,CC#CC1(CCC)CC(C)=CCC(CC)C1,0,GDB ChEMBL
252074,CC(C)[NH2+]C1(CO)C2CCC21,0,GDB ChEMBL
36180,CC#CC1C=Cc2c(F)cccc2C1,0,GDB ChEMBL
109615,COc1cc(N)c(C(O)C2CN2)c(=O)cn1,0,GDB ChEMBL
297032,CNC1C2[NH2+]CCCOC12,0,GDB ChEMBL
277652,CC1(CC(C=O)[NH2+]C2CC2)CO1,0,GDB ChEMBL
9761,CC(=O)NCC#CCC(C)O,1,GDB ChEMBL
383721,CC1C=C(CO)C(OC2CC2)C1,0,GDB ChEMBL
386470,CCC(CC(CC#N)CN1CC1)[NH2+]C,0,GDB ChEMBL
95217,CC1OC(=N)C(C(C)C)Cc2cccc(F)c21,1,GDB ChEMBL
127501,O=C([O-])C(=NO)C(CCCO)C(O)C1CN1,0,GDB ChEMBL
328882,CCC1CC(C[NH3+])C2C([NH3+])C2C(C)(O)C1,0,GDB ChEMBL
1100,C#CCCC12CNC(=O)CC1C2O,0,GDB ChEMBL
244534,CCCCN1C(=O)CCN2C(=O)OCC2C1=O,1,GDB ChEMBL
28338,COC1C2C(NC(N)=O)CCC(O)C12[NH3+],0,GDB ChEMBL
3018,CC1(C)C=C(CC([NH3+])CC[NH3+])CCOC1,0,GDB ChEMBL
6090,C[NH2+]CCC([NH3+])C1CC(C)C2OC12,0,GDB ChEMBL
93138,CC(CN)[NH2+]CCC(C)(C)C,1,GDB ChEMBL
98629,NC(N)=[NH+]c1cnccn1,0,GDB ChEMBL
349610,N#CCNCCOc1c(N)nc(=O)[nH]c1[O-],0,GDB ChEMBL
203770,[NH3+]C1CC2CC(C1)c1ncc(Cl)cc12,0,GDB ChEMBL
71448,CCCC1CC2CCCCCC23CC(C)CC13,0,GDB ChEMBL
215493,CC1CC(C(C)(C)C)C(C)[NH2+]CC2CC12,0,GDB ChEMBL
298904,CC1CC=CC(C)(CO)[NH2+]C1,0,GDB ChEMBL
377797,CC[NH2+]C1CC2C3CC(=O)OC1C32,0,GDB ChEMBL
44311,CC(C)C1C2OCCC[NH+]3CCC1(O)C23,0,GDB ChEMBL
394334,CC1NCC(CCO)C(C)(C(C=O)CO)C1=O,0,GDB ChEMBL
20515,COC(CCNS(C)(=O)=O)C([NH3+])CO,0,GDB ChEMBL
214759,CNC(=O)C(=O)NC1C([NH3+])COC1C,0,GDB ChEMBL
132877,CCCC1(C)CC2CC(C)CC2C1[NH2+]C,0,GDB ChEMBL
348599,CC1=CCC2C3CC(=CCC1)CC23,0,GDB ChEMBL
95500,N#C[c-]1ncn(C2=NCCO2)c1=O,0,GDB ChEMBL
59643,CCn1nc(COCC(C)(C)C)cc1CO,1,GDB ChEMBL
368422,Cc1c(Br)c(Br)c(Br)c(C[NH3+])c1CC1CC1,1,GDB ChEMBL
66130,CNC(C#N)CCC1C(C)C1C,1,GDB ChEMBL
84209,Fc1cc(F)c2c(c1)C(C1CC1)CC2,1,GDB ChEMBL
137402,N#CC(CC(N)=[NH2+])(NC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
115201,CC1C[NH2+]CC1=C1CCc2c(O)cccc21,0,GDB ChEMBL
304874,COCCC1C2COCCC1C(O)(C(=O)[O-])C2,0,GDB ChEMBL
259556,CN(CC[NH3+])CC(=O)Nc1snnc1[O-],0,GDB ChEMBL
135397,Cc1c(F)cc(F)cc1C1(O)CC(C)C1,1,GDB ChEMBL
366725,CC1CCCC2=CCC[NH+](C2)C1C,0,GDB ChEMBL
227901,CC1CC2(COC2CS(N)(=O)=O)CC(O)C1[NH3+],0,GDB ChEMBL
305263,CCC1(O)CCNC(C)C1=O,1,GDB ChEMBL
357644,COc1cc2ccc(=O)ccc2cc1Cl,1,GDB ChEMBL
197085,C[NH+]1CC2CCC1CCCC1CCC(O)(C1)C2,0,GDB ChEMBL
358890,CC(O)C(=O)NC(=N)C12CCC1CCC2=O,0,GDB ChEMBL
259685,CC1CC[NH+](CCCCC2CC2)CC1,0,GDB ChEMBL
107835,CCC=Cc1sc(C#N)cc1OC,1,GDB ChEMBL
47983,CCCC1(OC)CCCC(=O)O1,1,GDB ChEMBL
275492,C[NH2+]C(C)C1(C(O)C(C)[NH3+])OC(=O)NC1CO,0,GDB ChEMBL
366018,CCC1C2C3(C)CC(=O)NC3CC12O,0,GDB ChEMBL
42581,CC(C)C1OCC(C)(C#N)C1C(C)[NH2+]CC=O,0,GDB ChEMBL
398752,N#CCN1C(=O)C2CCOC(C1=O)C([NH3+])C2O,0,GDB ChEMBL
148391,C[NH2+]CC(N)C1C([NH3+])C1C(O)C(N)=O,0,GDB ChEMBL
384797,CCC(O)C(N=CNC(C)=O)C([NH3+])CO,0,GDB ChEMBL
372602,CCCC1(O)CCC#CCC=CCOCC1,1,GDB ChEMBL
234281,NC(N)=[NH+]c1c(F)cnn(CCCCO)c1=O,0,GDB ChEMBL
137069,COCc1ccnc(N)scnc1,0,GDB ChEMBL
26417,CC1(CC#N)OC(C[NH3+])C[NH2+]CC(O)C1O,0,GDB ChEMBL
77557,COC1(C(O)C(=O)[O-])C(CO)CC1(O)C[NH3+],0,GDB ChEMBL
182266,CCC1CC(C)(C)C(C(C)C)C1CCC(C)C,0,GDB ChEMBL
317945,C#CC[NH+]1CCC(CC)CC1(C)CC(F)(F)F,0,GDB ChEMBL
2132,CCC([NH3+])C(O)CC([NH3+])C(=O)[O-],1,GDB ChEMBL
334474,CCC1CC2CCC(NC)=[NH+]C2C1,0,GDB ChEMBL
354159,CCC(C)(CC)C(C)c1cc(Cl)cc(Cl)c1Cl,1,GDB ChEMBL
340463,CCC1C2C=CC1C2c1cc(F)ccc1F,0,GDB ChEMBL
385964,NC1=NCCN1S(=O)(=O)CC1CCCC1O,1,GDB ChEMBL
133303,C#CCC(C1CC1)C(O)C(C)C,1,GDB ChEMBL
119627,CC(O)CC1OC(S(N)(=O)=O)C(C#N)C1N,0,GDB ChEMBL
249629,N#Cc1nc(O)ncc1C(=O)N1CC1C=O,1,GDB ChEMBL
363118,CCCC1C=CC2C(C)C([NH3+])C1C2OCC,0,GDB ChEMBL
43919,CC1=CCOC2CCCC=CC1CC2,1,GDB ChEMBL
172358,[NH3+]CC(O)C1N=C(OCCO)NC1=O,0,GDB ChEMBL
197027,CC1CC2CC[NH+]2C1C(=O)[O-],1,GDB ChEMBL
177834,COC(CC#N)C1(O)C2C[NH+](C)C1COC2C,0,GDB ChEMBL
390102,CCC[NH+]1CCCC(C2CC(C)C2)=CC1C,0,GDB ChEMBL
283999,CCCc1c(CC(C)[NH2+]C)cc(C)c(I)c1C,0,GDB ChEMBL
195228,CC1(CO)CC2C3CNC(=O)C1([NH3+])C32,0,GDB ChEMBL
204527,CCC12C=C(C)C(CCCC(CO)[NH2+]1)C2,0,GDB ChEMBL
297225,CCn1cc(C2NC(=O)NCC2O)cc1NC,0,GDB ChEMBL
292501,C#CCCCC(C)CC[NH2+]CC(C)(C)CC,0,GDB ChEMBL
3024,COC(=O)C(CC1[NH2+]CC(C)C1[NH3+])C(C)(C)[NH3+],0,GDB ChEMBL
147597,CC1(C)C(=O)N(CCC#N)C2CC21,0,GDB ChEMBL
362567,CCOc1c(NC(=O)C[NH+](C)C)cnsc1=O,0,GDB ChEMBL
220150,CC#CCCOC(C)c1ccccc1,1,GDB ChEMBL
48217,COC1CC2CC=C(C=C(C)C(O)C1)C2,0,GDB ChEMBL
162503,C#Cc1nccc(F)c1C#CC1CC1,1,GDB ChEMBL
181743,CNc1cn(C(C)C)c2ncc(I)cc12,1,GDB ChEMBL
185269,CCC(C)C1C=C(C)C(O)C2CC12,1,GDB ChEMBL
376036,CC(=O)NC1CC1C([NH3+])c1n[n-]c(=O)o1,0,GDB ChEMBL
165257,CCCCC1C(C)C=CC[NH2+]C2CC21,0,GDB ChEMBL
385504,C#CCC1(CC)COC(=N)N1CC(N)=O,0,GDB ChEMBL
70146,O=CNC(=O)c1ccnc(=O)[nH]c1=O,0,GDB ChEMBL
382122,CC(=O)C[NH+]1CC2=CCCC2C(C)C1,0,GDB ChEMBL
244668,O=c1ccc(F)nn1CCO,1,GDB ChEMBL
206964,CC1(CO)NC(=O)OC2CC1(C(N)=O)C2O,0,GDB ChEMBL
96100,C#CC1([NH+](C)CCC)C(CC)CCC1C(C)O,0,GDB ChEMBL
157726,Nc1cc(NCC([NH3+])C2(N)CC2)cc[nH+]1,0,GDB ChEMBL
317734,CCC1C2C[NH+]1C1CC2CCC1O,0,GDB ChEMBL
360820,N#CCNC(CCC1CC1)COC=O,1,GDB ChEMBL
109624,C#Cc1ccnc2c1CCCC([NH3+])(CO)C2C,0,GDB ChEMBL
71267,C#CCC(C)(C)c1c(CC)cc(C)c(C)c1Cl,0,GDB ChEMBL
246416,C=CCCC(C)C1C2CC1[NH+](C)C2,0,GDB ChEMBL
362713,C[NH2+]C1(CCO)CC([NH3+])(CC(C)C)C1,0,GDB ChEMBL
116380,COCc1ncc(C2C[NH2+]C2)c(=O)nc1[O-],0,GDB ChEMBL
252741,COCC12OC1C(C[NH3+])N1CCCC12,0,GDB ChEMBL
342575,CC1CCCC2(C)C[NH2+]C(C)(C)C1C(C)(C)O2,0,GDB ChEMBL
104439,C#CC1(C)CCc2cc(Cl)cc(C)c2C[NH+]1C,0,GDB ChEMBL
301139,C#CC[NH+](CC#C)C(C)(C)CC(O)C#C,0,GDB ChEMBL
141910,CC([NH3+])C1(O)C(=[NH2+])NCC1NC(CO)C(=O)[O-],0,GDB ChEMBL
119624,O=CC(=O)OCC[NH2+]C1CC1,1,GDB ChEMBL
194482,Cc1c(Br)ccc(OCCCC(C)(C)C)c1Br,1,GDB ChEMBL
262320,CCC1CC[NH2+]C2C=CC(O)C(O)C2C[NH2+]1,0,GDB ChEMBL
274828,CC1C=CCCC2C([NH+]3CCC3)CCC12C,0,GDB ChEMBL
13789,NC(=O)C1=CNC(CO)C1O,0,GDB ChEMBL
228383,CC1C2OCC2C(=O)N1CC[NH3+],0,GDB ChEMBL
124780,CC1(C)CC2CC=CC2(C)C1CCCO,0,GDB ChEMBL
391704,CC([NH3+])C1COC(CCO)C12CC[NH2+]2,0,GDB ChEMBL
93135,CCCOC(=O)CNC(=O)C(N)CC(N)=[NH2+],0,GDB ChEMBL
53868,CCc1cc2c(cc1C)C(C1CCC1)=CC2,1,GDB ChEMBL
29702,CC1OC(C(O)C(=O)[O-])C(C(=O)[O-])C1O,0,GDB ChEMBL
179152,CC[NH+](C)C1(C)CC2CC1CC(C)CO2,0,GDB ChEMBL
285125,NC(=O)CN1CC2(CCO)OC2S1(=O)=O,0,GDB ChEMBL
109532,CC1(C)c2[nH]cc(O)c2CC[NH+]1CCO,0,GDB ChEMBL
54077,O=C1NC2CC3CCCC1(C2)C3O,0,GDB ChEMBL
61955,CC1[NH2+]CC2(N)C(C#N)C(C)C(=O)OC12,0,GDB ChEMBL
332465,CCC1(C[NH3+])C(C)CC2OC1CC2O,0,GDB ChEMBL
190261,NC(=O)C1CC2C(CO)C[NH+]2CC1N,0,GDB ChEMBL
124254,COC(C)CC1CC[NH2+]CC12C1C=CC2C1,0,GDB ChEMBL
246419,CCC(=O)CC(C)O,1,GDB ChEMBL
3817,Cn1ccc(N(C=O)CC#N)c1C(N)=[NH2+],0,GDB ChEMBL
13877,N#Cc1ccc(N2CC2)c(CO)c1F,1,GDB ChEMBL
362063,CNC(=[NH2+])NC1COC1=O,1,GDB ChEMBL
276295,N#CC(O)C1(C[NH3+])CC1CNC(N)=O,0,GDB ChEMBL
101531,CCOC1C(C)[NH2+]CC2CC21,0,GDB ChEMBL
339280,OC1CC(Cc2onc3c2CCCC3)C1,1,GDB ChEMBL
272564,CCCNC(=[NH2+])c1c(C2CC2)sccc1=O,0,GDB ChEMBL
242640,C#Cc1ccc2c(cc(F)c3ccsc32)c1C,1,GDB ChEMBL
292518,CC1CC2OCC(OS(N)(=O)=O)C(O)C2[NH2+]1,0,GDB ChEMBL
376645,CC1CC2(C)CC(C(=O)O2)C1[NH3+],0,GDB ChEMBL
325904,NC(=[NH2+])NC1C2OC(=O)C(O)CC12O,0,GDB ChEMBL
70892,NC12C(CO)C(=O)NC(C[NH3+])CC1(O)C2[NH3+],0,GDB ChEMBL
115037,CC1CC(=O)NC(C2(C(C)O)CO2)C(=O)O1,0,GDB ChEMBL
277973,C#CC1=CC(=O)CCCCN1,1,GDB ChEMBL
130639,CC(O)C1[NH2+]CCOC1C1CO1,0,GDB ChEMBL
290143,CC(C[NH3+])C1[NH2+]C(CO)C1C(O)C(N)=O,0,GDB ChEMBL
18946,C#CCCCC1CC23CC(C)CC2(C1)C3,0,GDB ChEMBL
198685,CC1=CC=CC(C)CC(C)C1,0,GDB ChEMBL
165657,[NH3+]CC1OC2CCC1OC(=O)C2,1,GDB ChEMBL
391274,CCc1ccc(Cl)c2c1C1CCC1C=C2,1,GDB ChEMBL
230457,CC1CN(C)C(=O)CCC(O)CO1,1,GDB ChEMBL
234383,CC1NC(=O)C(C(=O)[O-])C(O)C([NH3+])C1N,0,GDB ChEMBL
315223,N=C1CNC2CC(O)CC(CCCCO)C2O1,0,GDB ChEMBL
188514,CNC(=O)NC(=O)C(=O)C1CN(C)C1C,1,GDB ChEMBL
170280,[NH3+]C1CC2CCOC1C(=O)N2,0,GDB ChEMBL
356868,CN1C(C[NH3+])CC1(C)CCO,0,GDB ChEMBL
390134,N#CC1(CO)CC1C(O)C[NH3+],0,GDB ChEMBL
398753,Cc1cc(C#N)c(NC=O)s1,1,GDB ChEMBL
28301,CCCCC1CCC(C(CCC)CC(C)C)C1,0,GDB ChEMBL
321416,CN1CCCC(=NO)C1CC#N,1,GDB ChEMBL
304291,CC[NH2+]CC(CC)C(C)(C#N)CC(C)C,0,GDB ChEMBL
190517,CC(CC1=CCc2cccc(I)c2C1)=NO,0,GDB ChEMBL
275531,CC(CCO)C([NH3+])CC1CN1,0,GDB ChEMBL
149962,C[NH2+]CCC(=O)C1=CCC(=NO)CN(C)C1,0,GDB ChEMBL
331500,CCC(C[NH3+])OC(=O)C1CN1C=[NH+]C,0,GDB ChEMBL
266266,Cc1cc2oc(C)cc(=O)c2cc(=O)n1,0,GDB ChEMBL
193200,C[NH2+]CC1C(OC(=O)CN)CC([NH3+])C1C,0,GDB ChEMBL
214882,C[NH2+]C1COCCC([NH3+])(C[NH2+]CCO)C(C)C1,0,GDB ChEMBL
79300,C[NH+](C)CC1CC2(CC(O)(C#N)CN2)C(=O)N1,0,GDB ChEMBL
112082,CNC(=[NH2+])NC1CC(C)CC(C(N)=[NH2+])NC1=O,0,GDB ChEMBL
288628,COC1CC2CC(O)C([NH3+])C1O2,0,GDB ChEMBL
192617,Cc1cc(CCCC(C)(C)C)c(I)c(I)c1C,1,GDB ChEMBL
198839,COC1C2C(O)CNC(=O)C12O,0,GDB ChEMBL
1969,Clc1ccc2c3c1CCCC31CC1C2,1,GDB ChEMBL
4911,COC(C)C(=O)N(C)C1=NCC(=N)N1,0,GDB ChEMBL
310283,COc1cc(C2CC2)c(OC)c(Br)c1C,1,GDB ChEMBL
244341,N=C1OCC(=O)N(C(N)=O)C2CC(O)C(O)C12,0,GDB ChEMBL
375697,O=CC1CC2OC(C(=O)NC(=O)N1)C1CC21,0,GDB ChEMBL
70767,CC12NC1COCC2(O)CNC(=O)C[NH3+],0,GDB ChEMBL
8719,C#CCc1c(C)cc(CCC(C)(C)C)nc1C,1,GDB ChEMBL
375512,CC12COCC(C(=N)O1)N(CCO)C2=O,0,GDB ChEMBL
227552,CC1CC2[NH2+]CC3(COC3)C2C1,0,GDB ChEMBL
287316,CC(C)C12COCC1[NH+](C)C2,0,GDB ChEMBL
277715,CC(C)=CCC=CCC1C=CC=C1,1,GDB ChEMBL
81024,CCCC1C(=O)C(=O)c2c[n-]c(=[NH2+])nc2C1O,1,GDB ChEMBL
393912,Cc1c(O)ccc(O)cncn(CCO)c1=O,0,GDB ChEMBL
355145,C[NH2+]CC1(C(N)=O)C=CCNC(=O)N1,0,GDB ChEMBL
310162,CCCCc1[nH]ccnc(O)c(C)nc1OC,0,GDB ChEMBL
209890,CCCC1CC2CCOC(C[NH2+]2)O1,0,GDB ChEMBL
251811,CCCC(C)(CCC)CCCC1CC1,1,GDB ChEMBL
181347,CNc1cccc(CCO)c1,1,GDB ChEMBL
95892,C#Cc1c[nH]c(=[NH+]C)c(C(O)COCC[NH3+])c1,0,GDB ChEMBL
23922,CC(C)CC1(C(N)=[NH2+])C2CCCC1(C)CCC2,0,GDB ChEMBL
119998,CCCN(C=O)C(=O)CC(C)=O,1,GDB ChEMBL
42285,CCC1(O)CC(OC)OC1C(N)=O,1,GDB ChEMBL
341310,C#CC([NH2+]C1CC([NH3+])C1)C(C)(O)C(=O)[O-],0,GDB ChEMBL
168460,[NH3+]C1C2NC(=O)CC(OC2=O)C1CO,0,GDB ChEMBL
377786,C#CCCc1oc(C)nc1CC,1,GDB ChEMBL
173882,CCCC12C=CC(C[NH2+]1)C(c1ccsc1)C2,0,GDB ChEMBL
338961,C#CC12CCC(C[NH+](CCCCOC)C1)C2C,0,GDB ChEMBL
323192,CC#CCc1c(C)cc(F)cc1F,1,GDB ChEMBL
26348,NC(C(=O)[O-])C(=O)N(C=O)C=O,1,GDB ChEMBL
354098,CCNC(=O)NCCO,1,GDB ChEMBL
214738,CC1([NH3+])CNC(=O)NC1(CO)C(N)=O,0,GDB ChEMBL
372177,CC1CCCC2(C)C(C)C=CC=CCC2C1,0,GDB ChEMBL
203655,CC1=CC(O)C2(CC[NH3+])CCCCC=CC12,0,GDB ChEMBL
177900,CC(O)C1CNC(=O)C1(OCC#N)C([NH3+])CO,0,GDB ChEMBL
222822,[NH3+]C(COC(=O)c1cnon1)C(=O)[O-],1,GDB ChEMBL
234416,OCC#Cc1cncnc1,1,GDB ChEMBL
254912,CC[NH+]1CCCC1c1ccc(Cl)cc1,0,GDB ChEMBL
211012,C#CCCC1(C)CCC2CC1CC(C)[NH2+]2,0,GDB ChEMBL
120675,CCC(=NO)C(C#CC#N)C[NH2+]CCO,0,GDB ChEMBL
208591,CCC1([NH3+])COC(OC(C(=O)NC)C(C)O)C1,0,GDB ChEMBL
274118,N#CCNC(=[NH2+])NC(=N)NC(N)=O,1,GDB ChEMBL
263528,CCC1CC(C#N)=CCCC1C,1,GDB ChEMBL
341294,CC1C2N(C)C(=O)C(C)(C)CC12O,0,GDB ChEMBL
203885,CC12OC1Cc1cc(ccn1)COCC2[NH3+],0,GDB ChEMBL
77053,COC(=O)C(C)(C)CC1CCC(O)C(=O)C1,1,GDB ChEMBL
241121,CCCC1(C(C)OCC2CC2)CCC1,1,GDB ChEMBL
24524,CCCC(C)(C)COCC1CC1,1,GDB ChEMBL
166419,CC(=O)Nc1cnc(Cl)c(Cl)c1,1,GDB ChEMBL
377787,CCC(O)C1(CO)COC(C(=O)[O-])C1(O)C[NH3+],0,GDB ChEMBL
119645,CCC(C=O)N1CCCc2cc(C)c(Cl)nc21,1,GDB ChEMBL
292686,Cc1c(O)cc(C[NH3+])c(C)c1C,1,GDB ChEMBL
17497,[NH3+]CCCn1nc(C[NH3+])c(CO)c(Br)c1=O,0,GDB ChEMBL
193303,CC1C=C2C[NH+](CCC1)C1(CCCOC1)C2,0,GDB ChEMBL
128260,O=C1NCC2(CC(O)CN3CC32)O1,1,GDB ChEMBL
274185,C[NH2+]C1(C(C)C)C(C(C)O)CC1N(C)C,0,GDB ChEMBL
129834,CC(=O)NC(C=O)C(N)=O,1,GDB ChEMBL
368217,CCCC1(C)CCC(C)=CC=C(C(C)C)C1,0,GDB ChEMBL
129595,CC1(C)c2cc(Cl)cnc2NC(=O)C1CO,1,GDB ChEMBL
85660,NS(=O)(=O)OC1CC1C1OCCC([NH3+])C1O,0,GDB ChEMBL
203174,NC(=[NH2+])NC1(CC=O)CC2CC[NH+](C2)C1,0,GDB ChEMBL
71281,CC(C)CC[NH+](C)C1C2CC3CC3C21,0,GDB ChEMBL
108682,CCN=C1NC(C(=O)[O-])C(OC)CC1(C)O,0,GDB ChEMBL
371687,CC1(CC([NH3+])C(=O)[O-])NC1S(N)(=O)=O,0,GDB ChEMBL
174806,CC1CS(=O)(=O)[N-]C(=O)OCC([NH3+])C1(C)O,0,GDB ChEMBL
51045,O=C1CCCCCN2C(=NCC23CC[NH2+]C3)N1,0,GDB ChEMBL
33140,C[NH2+]C(C(N)=O)C(CO)NCC1(O)CC1[NH3+],0,GDB ChEMBL
10995,CC1C(C(=O)[O-])N1C(=O)C[NH3+],0,GDB ChEMBL
170261,CCCc1c(OC)c(=O)[nH]c2c(Br)ccnc12,1,GDB ChEMBL
297236,CCC1C(C)COC1CC(C)C,0,GDB ChEMBL
131928,CC(C)C(C)(C[NH3+])CCC(CO)c1cn[nH]c1,0,GDB ChEMBL
283298,CC1CC(O)C2CC1(C)C1CN21,0,GDB ChEMBL
317985,C=CCN1C(=O)C2CC1C2C(=C)C,0,GDB ChEMBL
72397,C#CC12CC1C(C)[NH2+]C2C(N)=O,0,GDB ChEMBL
35458,CCCCCC(=O)NCC1(C)C[NH2+]C1,0,GDB ChEMBL
95582,CCCCCC1C2CC(C)(CC2C)C1C,0,GDB ChEMBL
177278,CCC(=O)C1CC1C1CNc2cnccc21,0,GDB ChEMBL
263962,CCC1NC(=O)C2C[NH2+]C2C1(C=NO)CO,0,GDB ChEMBL
95624,NS(=O)(=O)OC1CCC1CC(=O)[O-],1,GDB ChEMBL
380619,C=C(C)C1C(CCCC)=CCC1C,0,GDB ChEMBL
140120,CC(C)C(C#N)NC1COC1,1,GDB ChEMBL
263420,CNc1c(CCC=O)nc(Cl)c(C)c1C(N)=[NH2+],0,GDB ChEMBL
257530,C#CC(CNCC[NH3+])Oc1c(C)ncnc1O,0,GDB ChEMBL
238567,C[NH2+]CC1C(CS(N)(=O)=O)OC(C#N)C1O,0,GDB ChEMBL
50106,CCC1[NH2+]CCC(CC(C)C)C1C(C)CC=O,0,GDB ChEMBL
160347,CC(C)C1([NH3+])COC(CO)CC2(CCC2)C1,0,GDB ChEMBL
104588,CCCCC1C2CCC(C2C)C1CC(C)(C)C,0,GDB ChEMBL
24784,CCC1=CCOCC2C(C1)CC1CC[NH+]2C1,0,GDB ChEMBL
286316,CCC(=O)NC(C)(CO)S(N)(=O)=O,0,GDB ChEMBL
151065,CCC12CC(C(=O)[O-])C3(CC3O1)C2,0,GDB ChEMBL
325874,CCC1CC2CCOCC(C)C1C2O,0,GDB ChEMBL
109177,Oc1cc(Cl)c(Cl)c(C2CC2O)c1,1,GDB ChEMBL
300458,N=c1[nH]cnc(F)c1CN(CCO)C(N)=O,1,GDB ChEMBL
181157,CC([NH3+])C1CC(O)(CC(C[NH3+])NC=O)C(=O)O1,0,GDB ChEMBL
363022,CC(=O)C1C(=O)NCC1C1(O)CC1,0,GDB ChEMBL
94715,CC#CC(C#N)C(C[NH2+]CC)C(N)=O,0,GDB ChEMBL
284842,CC1C2CC[NH+]1CC1CCCC2(C)C1,0,GDB ChEMBL
104689,Cc1[nH]ncc1S(=O)(=O)CC(C)C,1,GDB ChEMBL
9943,CC1CCCC2C1C21CCOC1,1,GDB ChEMBL
87684,CC(O)(Cn1cnnn1)C([NH3+])CN,0,GDB ChEMBL
95482,CCC12CCC(C)CC(C1)C(C(C)C)C2,0,GDB ChEMBL
345780,C[NH2+]C12CC1C(CC(C)[NH3+])NCCN(C)C2,0,GDB ChEMBL
244507,CC1CC2(C)C(C)C1CCC1CCC[NH+](C)C12,0,GDB ChEMBL
375679,CC(C)(C)C1(O)CC(O)C([NH3+])C(CO)C1O,0,GDB ChEMBL
34887,NC(COS(N)(=O)=O)C(O)C([NH3+])CO,0,GDB ChEMBL
198840,CCC(C)C12C(O)CC(C)CC1C2(C)C,0,GDB ChEMBL
348569,C=C1C(C)C(=O)OCC1(C[NH3+])CO,0,GDB ChEMBL
381468,CCC1CC2(C)CC(O)C1N1CC12,0,GDB ChEMBL
62803,C#CCCC1CNC(=O)C2(CCOC2)C([NH3+])C1,0,GDB ChEMBL
340509,COC12C(O)CC(C(N)=O)C1C2[NH3+],0,GDB ChEMBL
141847,CCC([NH3+])C1(C2CC2)COC1,0,GDB ChEMBL
86682,CC(C#N)NC1CC=CC1C(C)C(C)C,0,GDB ChEMBL
308005,C#CCC(C)CC(C)(CCC)CCC1CC1,0,GDB ChEMBL
328900,CCCC#Cc1cccc(Br)c1CC,1,GDB ChEMBL
389450,C#Cc1c(N2CCC2=O)cc(N)c(C)c1F,1,GDB ChEMBL
374328,NC(=O)C1C([NH3+])C1C(O)CCO,0,GDB ChEMBL
104458,NC(=[NH2+])NC1C(O)CC(O)C(O)C1C(=O)[O-],0,GDB ChEMBL
72400,CC(C)(C[NH3+])CC#CCO,0,GDB ChEMBL
280992,CC1[NH+](C)CC2C3OCCC231,0,GDB ChEMBL
138342,CCC1=C2CCC(C)C2C[NH+]2CCCC2C1,0,GDB ChEMBL
347991,CCC1=CCCC(C(C)O)OC1=O,1,GDB ChEMBL
197438,CCC12CCC1Cc1ccc(Cl)cc1C2[NH3+],0,GDB ChEMBL
116004,CC12CCCCCC(C)(CC1)C(CCC#N)C2,0,GDB ChEMBL
53872,CC(C)[NH2+]C1CC1CCO,0,GDB ChEMBL
28248,CCC[NH+]1CC2CCC(CCC3CC3C1)C2,0,GDB ChEMBL
76401,CC1(C)CC(C)(C)C2CCOC2CC1O,0,GDB ChEMBL
85679,CC#CCN(C(C)=[NH2+])C(N)=[NH+]C,0,GDB ChEMBL
321961,CC1=CC(C(N)=[NH2+])CC[NH+](C)CC(O)C1,0,GDB ChEMBL
45050,C#CC(C)C#Cc1cc(C)nc(C)c1,1,GDB ChEMBL
215316,CNC1C(CO)[NH2+]CC2CC1[NH+]1CCCC21,0,GDB ChEMBL
302494,CCC(C)C1C(C)CCC=CC1C(F)(F)F,0,GDB ChEMBL
190505,CCCCCc1sc2cccc(C)c2c1C[NH3+],0,GDB ChEMBL
232117,CCC([NH3+])CC(=O)OCC(C)C,1,GDB ChEMBL
155827,N#CC1NCC2CC2C(O)C1O,1,GDB ChEMBL
252550,NC(=[NH2+])NC1CNCC(O)C([NH3+])C1O,0,GDB ChEMBL
75072,CCC#CCC1(C)CC2CC(O)CC2C1,0,GDB ChEMBL
21750,COC1C2CC1C2CCC[NH3+],0,GDB ChEMBL
263299,CC(c1c(Br)cc(Br)c2oc(N)nc12)[NH+](C)C,0,GDB ChEMBL
247535,C[NH2+]C1C2C=CC1(C)C(=O)C2,0,GDB ChEMBL
33170,COC1C([NH3+])C(C[NH3+])(C(=O)[O-])C1CO,0,GDB ChEMBL
2983,CC(=O)NC1C2COCCC(C2)C1(C)[NH3+],0,GDB ChEMBL
298256,Cc1cc2n(n1)C(=O)OC(C)(C[NH3+])CN2,0,GDB ChEMBL
29959,O=C1NC2C3[NH2+]C(C(=O)[O-])C(O1)C23,0,GDB ChEMBL
280317,Cc1n[nH]c(C(=O)[O-])c1S(=O)(=O)[O-],0,GDB ChEMBL
118356,NS(=O)(=O)CC1=CNC(=O)CCOCC1[NH3+],0,GDB ChEMBL
247387,CC1CC(O)CC(C)(OCCC(N)=O)O1,1,GDB ChEMBL
361119,CNC(=O)C1C([NH3+])C(O)C(N)(C(=O)[O-])C1N,0,GDB ChEMBL
361176,NC(=O)C1NC(=[NH2+])NC(C(=O)[O-])C1N,0,GDB ChEMBL
369857,CCCC(CC#CC[NH3+])CCC,0,GDB ChEMBL
290572,OC1COC23CC[NH+](C2)C1C3,0,GDB ChEMBL
139793,CCC1(C(CO)C([NH3+])CO)NC(=O)OC1CO,0,GDB ChEMBL
75073,N=c1[nH+]c(N)nc(CO)n1CCC(=O)[O-],0,GDB ChEMBL
348826,CC(CC[NH3+])OC(=O)N(C=O)S(C)(=O)=O,0,GDB ChEMBL
271110,CN(C)CC1C(C#N)(C(=O)[O-])[N-]S1(=O)=O,0,GDB ChEMBL
141937,CNC1COC(CS(=O)(=O)[O-])OC1=O,0,GDB ChEMBL
75824,Nc1c(CNC(=O)C2CC2)oc(C[NH3+])c1[O-],0,GDB ChEMBL
252731,CC1CC(NC(N)=O)CC(C#N)N(C)C(=[NH2+])N1,0,GDB ChEMBL
362163,Cc1cc(Br)cc2c1C(C)(C)CN2C=[NH2+],0,GDB ChEMBL
80442,O=S1(=O)CS(=O)(=O)NCC(O)CN1,1,GDB ChEMBL
33311,CCOCC1(C)CC2OC2C1,1,GDB ChEMBL
358424,Cn1cc2c(n1)N=C(N)CNC(=O)NC2,0,GDB ChEMBL
282218,CC1CCCC2CC2C([NH3+])CC1,0,GDB ChEMBL
51832,N#CC(OCCNC(N)=[NH2+])C(O)CO,0,GDB ChEMBL
391291,C#Cc1c(F)ccc(CC2C=CCC2)c1F,1,GDB ChEMBL
285074,CCC12CCCC1C1CC[NH2+]C(C)(C1)C2,0,GDB ChEMBL
319158,CC(C)(C#N)CC(CC[NH3+])CC1(C)CCCC1,0,GDB ChEMBL
4854,N#CC1C(C(=O)[O-])N1C(=[NH2+])NCC(=O)[O-],0,GDB ChEMBL
354802,C[NH2+]CC(N(C)C)C1(C(C)C)CNC(=O)C1[NH3+],0,GDB ChEMBL
104444,CC([NH3+])C(C(=O)[O-])C(O)(C(N)=[NH2+])C(N)=O,0,GDB ChEMBL
298939,CCNC(=O)C1(NS(=O)(=O)CC(N)=[NH2+])CC1,0,GDB ChEMBL
343951,CCOCC1C=CCC2(CC2)CC(C)(C)C1,0,GDB ChEMBL
41586,O=C1Nc2nonc2CCCO1,1,GDB ChEMBL
344300,CCC1=CC(C)C2CCC1C2(C)CC(C)C,0,GDB ChEMBL
126977,CC#CC(N)(CO)CNC(=NC(C)C)OC,0,GDB ChEMBL
63128,CCC(CC#N)C1C2Cc3ccsc3C1[NH2+]2,0,GDB ChEMBL
121080,COC(=O)NC(C(N)=O)C([NH3+])C(=O)[O-],1,GDB ChEMBL
323996,NS(=O)(=O)C1CC1C1[NH2+]C(C(=O)[O-])CC1O,0,GDB ChEMBL
300193,CC#CC12CC[NH+](C)CC=C1CO2,0,GDB ChEMBL
271134,COCC12CC(=O)OCCCCC(C1)[NH2+]2,0,GDB ChEMBL
10973,O=c1occc2c1C(O)CC2,1,GDB ChEMBL
280327,CCC1(C)CC2CC2CC(C)(CC)C1,1,GDB ChEMBL
6839,CC(NCC#N)C(O)(CO)CC#N,0,GDB ChEMBL
380553,CCCn1c(N)nc2[nH]c(C)nc(=O)c21,1,GDB ChEMBL
42298,C#CC(CCC)c1ccc(C)cc1Cl,1,GDB ChEMBL
110231,C#CC#CCC(c1ccc(F)cc1)C(C)O,1,GDB ChEMBL
261447,C#CCC(CC#C)C1C(C)CC(CO)CC1C,0,GDB ChEMBL
129804,CC(=O)C#CCOc1cc(Cl)ccn1,1,GDB ChEMBL
190790,CCc1nc(C#N)nc(C(=O)CC(C)C)n1,1,GDB ChEMBL
29981,C=CC12CCCCC1[NH2+]CC(C)C2,0,GDB ChEMBL
140308,Cc1ncn(C2C(N)C[NH2+]C2C(C)O)n1,0,GDB ChEMBL
75009,C#CCC1(C2COC(=O)N2)C[NH+](C)C1C,0,GDB ChEMBL
29678,CC1C[NH+](C)CC(C)C1N1CC(=O)C(=O)C1,0,GDB ChEMBL
225416,C#CCC1C=C(C)C(CC)C1,0,GDB ChEMBL
118402,C#CC[NH+]1CCC2(CC=CC2)C1C,0,GDB ChEMBL
395980,CN1CC(C#N)(CO)N=C1N,0,GDB ChEMBL
221705,CC[NH2+]C(C)C1(C)CC2CCC(C2)C1C,0,GDB ChEMBL
316294,N#CCN1CC(=O)NCC1=O,1,GDB ChEMBL
8656,CCC1(C(=O)[O-])C(OC)C(C)C2C([NH3+])C21,0,GDB ChEMBL
90343,CCc1ccc(C#CC#N)cc1,1,GDB ChEMBL
63098,C[NH2+]C1(c2cc(C)cs2)CC1,0,GDB ChEMBL
354578,CC1CC2OC(S(N)(=O)=O)C(C(=O)N1)C2[NH3+],0,GDB ChEMBL
127654,CC1COCCC(O)C=CCO1,1,GDB ChEMBL
181121,CC1=CC([NH3+])(CO)CCC(C(O)C(N)=O)C1,0,GDB ChEMBL
284743,CC1(C(C=O)CO)C[NH2+]C1,1,GDB ChEMBL
221934,c1ccc(CC2=[NH+]CCCCN2)cc1,0,GDB ChEMBL
108143,CCC(C)C1C=C(C2(C)CCC2)CC1O,0,GDB ChEMBL
203795,CC(C)(CO)C(O)Cc1csc(C(F)(F)F)c1,0,GDB ChEMBL
147897,N#CC1[N-]C(=O)C(N)C(O)C(=O)NCCC1N,0,GDB ChEMBL
38158,CCC(CC)CC(=O)OCCC(F)(F)F,1,GDB ChEMBL
350250,[NH3+]CCc1cc[nH]c1C1COC1,0,GDB ChEMBL
134772,CCC12C=C(C)CC(C[NH2+]C1)C[NH2+]C2,0,GDB ChEMBL
184290,NC(=O)C1NC(CO)C23CCS(=O)(=O)N2C13,0,GDB ChEMBL
134485,COc1nccc2c1CC1(C=CC=C2)CC1,0,GDB ChEMBL
263302,CC1CC2CCCC1C2C1OC1(C)C,0,GDB ChEMBL
23524,CC(CCCNCS(N)(=O)=O)N(C)C(N)=O,1,GDB ChEMBL
217107,CC(=N)N1C(=O)C2OCC2C(C(=O)[O-])C1C,0,GDB ChEMBL
115556,CC(CCS(=O)(=O)[O-])N1C(C=O)C1C(N)=O,0,GDB ChEMBL
44979,CCc1c(C#N)c2c(C)cc(F)c(F)c2n1C,1,GDB ChEMBL
108673,C[NH2+]C(CN)C(C)(C)C1OC1C([NH3+])C(=O)[O-],0,GDB ChEMBL
239132,C#CC(C)(C)CC(CC)c1cc(Br)ccc1C,0,GDB ChEMBL
62801,C#CC1OCCC(COC(=O)NCC)C1=O,0,GDB ChEMBL
285772,CCC(C(C)O)C1CCC=C1C,1,GDB ChEMBL
244458,CC1(N)C2=NCCCCC1[NH2+]CCO2,0,GDB ChEMBL
330753,CCN1CCOC23CC([NH2+]C2C)C13,0,GDB ChEMBL
245503,CC#CCCCCC1[NH2+]C1CC1CC1,0,GDB ChEMBL
40897,C#CC1CCCc2c1ccn2CC[NH3+],0,GDB ChEMBL
391277,CCC1(CC2C=CC[NH+]2CC(C)C)CC1,0,GDB ChEMBL
305242,CCCC(C)(O)C(C=O)C(C)=O,1,GDB ChEMBL
246931,CCCC1CC2C3CCC(C)(CCO3)C2C1C,0,GDB ChEMBL
130348,CCC1CC2C[NH+](C)C3CC23C1,0,GDB ChEMBL
319155,CC([NH3+])C1CNC(CC[NH+]2CCC2)COC1,0,GDB ChEMBL
304454,C#CCC(CC)CC1CCc2cc(F)ccc21,0,GDB ChEMBL
382487,CC(CCNCC#N)OC1CCOC1C(C)C,1,GDB ChEMBL
57278,CC1CC=C2C(C(C)(C)C)CCC21C,0,GDB ChEMBL
378909,CCC[NH+](C)C1C(C)CN2CC12,0,GDB ChEMBL
218604,CCC(CC)CC(C)C1=C(C)CCC1,0,GDB ChEMBL
203170,CC1C2CC3C(O)C2[NH2+]C1C3CO,0,GDB ChEMBL
20088,CCC1CCC2CC1(C)C1C(C)C(C[NH3+])CC21,0,GDB ChEMBL
345755,CC[NH+](C)C1C2C(C)C3COC21C3,0,GDB ChEMBL
303883,C=C1C(CC)OCCCC(O)C1[NH3+],0,GDB ChEMBL
348463,CCCC(=O)CC1COC2COC(C1)C2,0,GDB ChEMBL
294441,COC1C[NH+](C2C=C(C[NH3+])CC2)C(C)C1C,0,GDB ChEMBL
292713,CCS(=O)(=O)NC1(C#N)C(N)C1N,0,GDB ChEMBL
390478,CC1CCC2[NH2+]CC(CS(C)(=O)=O)C2N1,0,GDB ChEMBL
92907,Cc1cc(CC(=N)N(C)C(N)=O)cc(O)c1N,0,GDB ChEMBL
124859,O=C1C2CC2C23C(O)C2[NH2+]CCCN13,0,GDB ChEMBL
235885,C[NH+]1CCC2C[NH2+]CC(O)C1C2,0,GDB ChEMBL
328959,CC1OCC2C1Cc1c(C3CC3[NH3+])ccn12,0,GDB ChEMBL
354614,O=C1C(O)C(O)C(O)C2CCN12,1,GDB ChEMBL
34146,CCC(=O)NCc1c(CC)nc(O)c(I)c1C,1,GDB ChEMBL
278211,CC1CC[NH2+]C(C)(C(C)CO)CC(C(C)[NH3+])C1,0,GDB ChEMBL
42227,[NH2+]=C1NCC(O)CC2COC(=O)C12,0,GDB ChEMBL
190346,CN=C1NC(C#N)C2(C)C(C(N)=O)N12,0,GDB ChEMBL
314964,CC(CCC(=O)[O-])NC(C)C(N)(C#N)C#N,0,GDB ChEMBL
93445,C#CC12C=C(C)C[NH+]1C(C)CCCC2C,0,GDB ChEMBL
377347,Nc1cccnccnc(O)c1C[NH3+],0,GDB ChEMBL
368453,C[NH2+]C1(C)CC(=NCCC2CC2)NC1=O,0,GDB ChEMBL
151057,C#CC(=CC)CCC1(CC[NH3+])CC1,0,GDB ChEMBL
346967,CNC(=[NH2+])C(C)(NC(C)=O)C(=O)[O-],0,GDB ChEMBL
358430,CC1CC(C(C)C)[NH2+]CC2(C[NH2+]C2)C1,0,GDB ChEMBL
53082,CC(O)C(C#N)[N-]C(=O)C(=O)NC=O,0,GDB ChEMBL
372741,CCC1CC(=O)C(=NCC#N)N1,0,GDB ChEMBL
199053,OCCC1[NH2+]CCOC12C(O)C2CO,0,GDB ChEMBL
296076,CC1C2CCC1c1ccccc12,1,GDB ChEMBL
292717,CC[NH+]1CC(C)(C(=O)[O-])C1,0,GDB ChEMBL
36022,CCC1CC2(CO2)C2CC[NH2+]C12,0,GDB ChEMBL
259107,COC(=O)c1ccc(C[NH3+])n1C,1,GDB ChEMBL
7401,COCC(O)C1NCCNS(=O)(=O)CC1=O,0,GDB ChEMBL
391805,CNC(=O)NCC1NS(=O)(=O)C2C(O)C12,0,GDB ChEMBL
261351,[NH3+]C1C(=O)NCC2NC(=O)NC21C(=O)[O-],0,GDB ChEMBL
148823,C[NH+]1CC(O)CC2NC2(C(N)=O)C1CO,0,GDB ChEMBL
9809,CC1=CC2(C)C(C)=CCCC(C)C2CC1,0,GDB ChEMBL
130373,CCC12CCC(C1)C(C1CCCCC1C)C2,0,GDB ChEMBL
236748,O=COCCCC1CC1,1,GDB ChEMBL
310754,CC1CCN2C(C1)C2C([NH3+])CO,0,GDB ChEMBL
117435,CCCc1c(C)c(N(C)C)c2conc2c1O,1,GDB ChEMBL
50233,CCC1C2C=CC3C2CCC3[NH+]1C,0,GDB ChEMBL
115612,COc1cc(NC(N)=[NH2+])ncc(O)ccs1,0,GDB ChEMBL
151280,CCC1(C)C(O)CC2CCCCC(C)C2C1C,0,GDB ChEMBL
242604,NC(=O)C1CCOS(=O)(=O)[N-]C(=O)N1,0,GDB ChEMBL
57296,CCC1CC(CC)[NH+]2CCC1C=CC(O)C2,0,GDB ChEMBL
92276,C#CCC1CC1CCCC#N,1,GDB ChEMBL
398830,CCC1CC([NH2+]CC#CC(C)O)C=C1C,0,GDB ChEMBL
380593,Cc1ccccscc(N(C)C)c1CC(C)C,0,GDB ChEMBL
156034,C[NH2+]CCNc1c(I)ccc2sccc(=O)c12,0,GDB ChEMBL
203546,CCc1c(C)nc(C(C)(C)CC)c(F)c1OC,0,GDB ChEMBL
384262,CC1C=CC2C1CCC(O)CCC2(C)C,0,GDB ChEMBL
252545,NC(=O)CNCC([NH+]=C(N)N)C(=O)[O-],1,GDB ChEMBL
360864,CC(C)(C)[NH2+]CC12CCC=CC(CCC1)C2,0,GDB ChEMBL
70793,CC(C)C12CC[NH2+]CC1NC(=O)C2,0,GDB ChEMBL
44641,[NH2+]=C1CCCC(C(=O)NC=O)N1,1,GDB ChEMBL
252039,CCC1C2C(C)(O)CC[NH+](C)CC12CO,0,GDB ChEMBL
227787,CC(=O)C(=O)NCc1n[nH]cc1C,1,GDB ChEMBL
64106,CNC(=O)C1C2CC(O)C(=O)N21,0,GDB ChEMBL
87142,COC1C2CC(O)C1CC(C=O)(CO)N2,0,GDB ChEMBL
378143,C[NH+]=CNc1[nH]c(=O)cc(C(N)=O)c1CC[NH3+],0,GDB ChEMBL
382622,N=C1OCC(C(CO)N2C(=O)CNC2=O)C1[NH3+],0,GDB ChEMBL
21876,COC(=[NH2+])N1CCC(CO)(CC(C)C)CC1C,0,GDB ChEMBL
316162,CC1CC(N)CNC1=[NH2+],0,GDB ChEMBL
132434,CC1CC2OC3CCCC2(C1)C3,0,GDB ChEMBL
65903,CNC(=O)[C-](C#N)C1(N)COCC1(O)CO,0,GDB ChEMBL
147962,COCCC1CC2C(C)C1N1C(=[NH2+])NCC21,0,GDB ChEMBL
345384,O=C([O-])C1NC(=O)C23CC12CCC3=O,0,GDB ChEMBL
225465,COC1C(C)CC=C(C=O)C1O,1,GDB ChEMBL
300573,CCC1CCN2C(C(=O)[O-])=NCC12,0,GDB ChEMBL
4845,CCC1[NH2+]CC(C)C2CCCOC1C(=O)C2C,0,GDB ChEMBL
229465,O=C1CC2C(N1)C(O)CNS2(=O)=O,0,GDB ChEMBL
238558,CC1C[NH+]=C(N)OC1(C[NH3+])C(O)C(=O)[O-],0,GDB ChEMBL
178038,CC1=Cc2cccc(F)c2C2CC2CC1,0,GDB ChEMBL
229436,CN1CCCOCCOC(C2CCO2)C1=O,1,GDB ChEMBL
136710,NC(CO)C(=O)OCc1ccoc1[O-],0,GDB ChEMBL
280722,CCC(C)C(C)CCC(C)C(OC)C(F)(F)F,1,GDB ChEMBL
129852,C=CC1(OC(C)CO)CC1C(N)=O,0,GDB ChEMBL
263223,CC(C)[NH+]=C(N)N(C)CCN,0,GDB ChEMBL
5849,CC1([NH3+])CCCN(CC(F)(F)F)CC1,0,GDB ChEMBL
34263,CCC1C[NH+]2CC=CC1C2c1ccc(C)s1,0,GDB ChEMBL
362045,C#Cc1cc(C)c(Cl)c(N(CCC)CCC)c1,1,GDB ChEMBL
225050,C[NH2+]C(C)C12CC1CC2OC,0,GDB ChEMBL
78333,Nc1c(O)cc(Cl)c(Cl)c1CCC(CO)CO,1,GDB ChEMBL
47389,c1ccc2c(c1)CC1C3CCC(C3)C21,1,GDB ChEMBL
58948,O=CNC1(CO)CC(C(=O)[O-])NC1=[NH+]CCO,0,GDB ChEMBL
295863,COCCNC1(C)CS(=O)(=O)C1,1,GDB ChEMBL
180056,CCC(Cc1ncc[nH]1)n1cc(C=O)cn1,1,GDB ChEMBL
186579,O=CC1CC2c3ccc(Br)cc3CN12,1,GDB ChEMBL
161982,C[NH2+]C1CCC2C(C1)C2C1CC1(C)C,0,GDB ChEMBL
30307,CC1C([NH3+])C1(NCCCC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
217338,CCCC(C)(OC)C1(C(CC)OC)CCOC1,0,GDB ChEMBL
177084,CS(=O)(=O)CCC1=CCNC1=O,1,GDB ChEMBL
18704,CC1(C2(CO)CC[NH2+]C2)CO1,1,GDB ChEMBL
222918,CC(C)CC(C)c1ccc(I)cc1C(F)(F)F,1,GDB ChEMBL
274860,C[NH2+]CC([NH3+])C1CC2CC(C)CC1C2,0,GDB ChEMBL
221898,O=C1COC(=O)C2=CCN3CCC4(N1)C2C34,0,GDB ChEMBL
312548,COCC1CNC(=[NH2+])CCC(O)C1(C)C(C)O,0,GDB ChEMBL
251882,CC(=O)NCC1CCC=C1C,1,GDB ChEMBL
274650,C[NH2+]CC(O)(C[NH+]=C(N)N)C(=O)C1(C)CO1,0,GDB ChEMBL
316102,CCC(NC(=O)CO)c1n[n-]c(=O)o1,0,GDB ChEMBL
323962,NC(=O)c1ccsc1CC1COC1,1,GDB ChEMBL
18694,CC1C([NH3+])C(C[NH3+])CC2CC(CO)C(=O)NC21,0,GDB ChEMBL
354973,NCC(=O)N(CCO)C(=O)COC=O,1,GDB ChEMBL
77357,C#CC1C2CC(C1CC)C(CC)(CCCC)C2,0,GDB ChEMBL
262274,CC1CN2C(C[NH2+]1)C2C(C)C,0,GDB ChEMBL
33584,OC1CCC2(CCCCC2)C1C1CC1,1,GDB ChEMBL
296272,CC1CC(CO)=CCCC(C(N)=O)=CN1,0,GDB ChEMBL
386191,CCC1=CC([NH3+])C(CCNC(C)=[NH2+])(OC)C1,0,GDB ChEMBL
263969,C[NH2+]CC(C)(C[NH2+]C)N1CC(=NO)CC1=O,0,GDB ChEMBL
184258,CCC(C)CC1(C)CCC(CCC(C)C)CC1,1,GDB ChEMBL
297021,NC(=[NH2+])CN=COCc1cccc(F)c1,0,GDB ChEMBL
249569,CS(=O)(=O)[N-]C(=O)C1(N)C([NH3+])C1CO,0,GDB ChEMBL
328814,Cc1ccc(CC(C)(C)C(=O)OC=N)cc1,1,GDB ChEMBL
93405,NC(=[NH2+])C(N)C(O)C1CNC(=O)O1,0,GDB ChEMBL
389410,CC1C[NH2+]C2CC(=O)NC12,0,GDB ChEMBL
225400,C#CC(C)NCC[NH2+]C,1,GDB ChEMBL
6015,C[NH2+]C1C(O)C=C2C(C)CCC21C,0,GDB ChEMBL
201468,CCC(C(C)=O)C1(CCNS(C)(=O)=O)CN1,0,GDB ChEMBL
204548,C[NH+](C)CC1(C)CCC(CC2COC2)C1,0,GDB ChEMBL
383019,CC1C2CC([NH3+])CCCCC(C[NH3+])C12,0,GDB ChEMBL
296312,C#CC(=O)CN(CC)C(C)COC,1,GDB ChEMBL
335475,CCNC(=O)C1C(C)OC2CC21,0,GDB ChEMBL
307871,Cc1cccc2c1CC(C)CCCO2,1,GDB ChEMBL
42289,Nc1nc(CC[NH3+])n(CC(=O)[O-])n1,0,GDB ChEMBL
330912,C#CC(C#CC)([NH2+]CC(C)(C)O)C1CC1,0,GDB ChEMBL
274632,Cc1cnc(C[NH3+])nc1,1,GDB ChEMBL
254935,OC1CC2COCCC1[NH2+]CC1COCC12,0,GDB ChEMBL
80297,CCC1C[NH2+]CCC(C=O)CC(=O)CC1OC,0,GDB ChEMBL
277122,O=C1CC2C3CCCC3C2C1,1,GDB ChEMBL
24233,NC(=O)C1(C(=O)[O-])NC2CC([NH3+])C(O)C21,0,GDB ChEMBL
3825,NC(=O)C12CC1CNS(=O)(=O)CC2O,0,GDB ChEMBL
225358,CC1(C2CCC(O)C2)C[NH2+]CC1N,0,GDB ChEMBL
6849,CCC1CCCCC1C1(C#N)CN1,0,GDB ChEMBL
17302,CC([NH3+])C1(C(N)=O)CC2COC(CN1)C2,0,GDB ChEMBL
203549,C[NH2+]C1C(N)COC1CCS(=O)(=O)[O-],0,GDB ChEMBL
39904,N=C1NC2(C(=O)[O-])CC(C2)N1C(N)=O,0,GDB ChEMBL
26333,CCC1OS(=O)(=O)NCC1OC,1,GDB ChEMBL
358207,CCC(C)CC12CCCC([NH+](C)C)C1C2,0,GDB ChEMBL
386673,CCCC1(CO)CC12CC(=O)NC2C(C)=O,0,GDB ChEMBL
27025,C#CC1(O)C=CC(N(C)C(N)=O)C1,1,GDB ChEMBL
105123,COCC(C#N)(CN)NC(N)=O,1,GDB ChEMBL
240805,Cc1cc(OC2CCCC2)c(Cl)cc1N,1,GDB ChEMBL
134746,CCCCc1ccc(N)ccc(C)oc1OC,0,GDB ChEMBL
344299,N#CC1COC(=O)N2CC2C1O,0,GDB ChEMBL
203742,CCC12CC(C)(CC(CC(C)C)[NH+]1C)CC2C,0,GDB ChEMBL
314142,CCC1CCCCC[NH2+]C2CC1C2,0,GDB ChEMBL
117402,N=C1NC(=O)N2C(CO1)C2C(=O)[O-],0,GDB ChEMBL
205910,CCC(CC)CC1CCC([NH3+])C(C(F)(F)F)C1,0,GDB ChEMBL
61496,COC(C(F)(F)F)C1(CC(C)C)CCCC1[NH3+],0,GDB ChEMBL
383916,C#CC1(C#C)CCC(CC)CC(C)(C)C[NH+]1C,0,GDB ChEMBL
4886,C#CC(C)CC(O)C(C)C[NH3+],1,GDB ChEMBL
26414,CCCCC1=CC(C2CC2)CC1C(C)CO,0,GDB ChEMBL
76114,C#CC(CCC)C(C)(O)CC,1,GDB ChEMBL
18648,CC(C)C1CC2[NH2+]CCC1C2C,0,GDB ChEMBL
77246,CC(=O)OCC12CCC(C)(NC=O)C1C2,0,GDB ChEMBL
344321,C[NH+]1CC2CC1C(O)C2C(O)c1ccsc1N,0,GDB ChEMBL
366634,CCC(C(F)(F)F)C1(C)CC=C(C)CC1,0,GDB ChEMBL
274660,CC#Cc1cnc(Cl)c(CC(C)(C)C)c1Cl,1,GDB ChEMBL
387208,CCCCC1CC(C(C)[NH3+])C2CC12,0,GDB ChEMBL
181625,Nc1cc(O)cc(F)n1,1,GDB ChEMBL
13161,Ic1ccc(C2[NH2+]CC3CC32)cc1,0,GDB ChEMBL
358090,COC1C(CNS(C)(=O)=O)C([NH3+])C2(O)CC12,0,GDB ChEMBL
201072,CS(=O)(=O)NC12CC(=O)OC1C2,1,GDB ChEMBL
76958,[NH3+]C1CC(=O)N2CC2C1C(O)C(=O)[O-],0,GDB ChEMBL
45001,CC[NH2+]C1CC2C(C1OC)C(C)C2(C)C,0,GDB ChEMBL
333121,CCC1CCCCOCC2C=C(C1)C1CC21,0,GDB ChEMBL
209702,CCC[NH+]1CC2CC23C2CCC(C2)C13,0,GDB ChEMBL
51366,CN1CC2NC(=O)C1C(O)C2S(N)(=O)=O,0,GDB ChEMBL
310775,Cc1c(C)c(CC(C)O)c2c(c1F)CCCC2,1,GDB ChEMBL
143477,CC1C2CCN3C(=O)C1C1C2C13,0,GDB ChEMBL
29606,C[NH2+]C1C(C)CC(C)[NH+](C)C1C,0,GDB ChEMBL
2970,COC1C=CCC=C(C)C1,1,GDB ChEMBL
228904,CCNc1nocc1NC(C)CO,1,GDB ChEMBL
305362,CC1=CC2(C[NH2+]C(C)C)CCCC1C2C,0,GDB ChEMBL
328916,C#CCC([NH2+]C)c1cc(I)c2c(C)c[nH]c2c1,0,GDB ChEMBL
299588,CCOC(=O)N1CCS(=O)(=O)C1,1,GDB ChEMBL
308668,CN=C1NCC(=O)CN1CC#N,0,GDB ChEMBL
345383,CNc1nc(=O)c(C)c(NC)nc1C,0,GDB ChEMBL
215276,N#CC1(C2CC2)CCCCCC1CO,0,GDB ChEMBL
87046,CCc1c(I)ncc2c(C=O)ccc(OC)c12,1,GDB ChEMBL
309150,C[NH2+]C1CC=CCC([NH3+])CC1,0,GDB ChEMBL
316133,C[NH+]1CCNC(=O)CC(O)C(O)(C[NH3+])CC1,0,GDB ChEMBL
16066,COC1CC2NC(=O)C1C2(C)O,0,GDB ChEMBL
299758,COC(C[NH3+])(CO)CC#N,1,GDB ChEMBL
236718,[NH3+]C1(CO)CC1c1cccnc1C(=O)[O-],0,GDB ChEMBL
236635,CC[NH2+]C(C=O)CC(CO)OC,0,GDB ChEMBL
40879,CC12CC1Cc1cc(F)cc3c1C2CC3,1,GDB ChEMBL
328896,[NH3+]Cc1noc2cc(CCO)ncc12,0,GDB ChEMBL
284356,CC1CCCC2CCCC2O1,1,GDB ChEMBL
108721,CNC(C[NH2+]C)C(C)(COC)CC(N)=[NH2+],0,GDB ChEMBL
369323,CC1CC2CC34C[NH+]1CC3(C2)C4,0,GDB ChEMBL
288491,C#CC12CC1(C(C)C)CN(C(C)=O)C2C,0,GDB ChEMBL
277846,N#CC(CC([NH3+])CC[NH3+])OC=O,0,GDB ChEMBL
80462,CCC1C2(CO)CN(C)C(C(N)=[NH2+])C12N,0,GDB ChEMBL
247385,O=C([O-])C#CC1CCOC(=O)CNC(=O)N1,0,GDB ChEMBL
201079,CC([NH3+])c1nc(F)ccc1F,0,GDB ChEMBL
369286,C#CCOCC(COC)C(CC(O)C#N)[NH2+]C,0,GDB ChEMBL
34204,NC1=[NH+]C(C(=O)[O-])CC(O)C1CS(N)(=O)=O,0,GDB ChEMBL
288504,C[NH+]1CC(O)C(OC(=N)C(O)C(N)=O)C1,0,GDB ChEMBL
25225,CC1CC2OC(C[NH3+])OC2CC1C,0,GDB ChEMBL
77822,NC(=[NH+]CCC(=O)[O-])C(O)C([NH3+])CCO,0,GDB ChEMBL
136135,COC12CC(CC3(C)C[NH+](C)CCC31)C2,0,GDB ChEMBL
174655,CC(=O)COc1ccc(Cl)cc1,1,GDB ChEMBL
354864,CCCc1c(C#CCO)ccc(F)c1C=O,1,GDB ChEMBL
115197,Cc1cc(C)n(CCC(N)=O)c1N(C)C,1,GDB ChEMBL
169506,CCCOC1C2CCC1(C)CC2,1,GDB ChEMBL
169439,CC(C)(C)C1CCC=CCCCC1(C)C,0,GDB ChEMBL
301398,CC1=CCCCCC2=CC(C1)CC(C)C2,0,GDB ChEMBL
347041,NC(=O)C(CO)C1OCOC1=O,0,GDB ChEMBL
361612,C#CC1CC1[NH2+]CCCC,0,GDB ChEMBL
1489,N#CCNC=[NH+]C1CC(O)C1,0,GDB ChEMBL
87080,CC(C#N)C1C(=O)CCC1CO,1,GDB ChEMBL
218814,CC[NH2+]Cc1cc(Cl)c2c(c1)oc1cc[nH]c12,0,GDB ChEMBL
30323,C[NH2+]C1CC2NC1C(O)COC(=O)C2CO,0,GDB ChEMBL
240030,O=C1NC(CO)C2NC(CS2(=O)=O)C1O,0,GDB ChEMBL
309827,N#CC12C(=O)NCC(CCC13COC3)C2=O,0,GDB ChEMBL
292292,C#CCC=CC(C)CC=CCC[NH3+],0,GDB ChEMBL
157093,Cc1cc(C)c(CC2CC3CC(C3)[NH+]2C)s1,0,GDB ChEMBL
262325,NC(=[NH2+])NCCCCNc1nnon1,0,GDB ChEMBL
299566,CC1=CC(C)[NH+]2CC3CCC(C)C(C3)C1C2,0,GDB ChEMBL
298906,O=C1CCCCC2(O)COCC2c2cnc1o2,0,GDB ChEMBL
165228,N#CCc1c(CO)c(N)[nH+]ccc1=O,0,GDB ChEMBL
45687,CC1CC(O)(CCO)C([NH3+])C(C[NH3+])NCCO1,0,GDB ChEMBL
126924,CC1=CCC2C(CCC(F)(F)F)C12,0,GDB ChEMBL
250615,CCCC1[NH2+]CC(O)C2C(=O)COC12,0,GDB ChEMBL
320331,CC1(N2CCCCC2=O)CC1,1,GDB ChEMBL
307545,CC#CCC1=CC(CCCC)CC1(C)C,0,GDB ChEMBL
214726,CC[NH+]1C2C=CC1C1(CC2)CC1,0,GDB ChEMBL
339279,CC(C([NH3+])(CO)CC(=O)[O-])S(N)(=O)=O,0,GDB ChEMBL
53726,C[NH2+]C1C(OC)CC(=O)C2C(COC)OC12,0,GDB ChEMBL
16720,C[NH2+]C(CNc1oc(C)nc1C(=N)N)C(N)=O,0,GDB ChEMBL
202050,CCC1CCCC2CC(CC1)CC1CC1C2,0,GDB ChEMBL
196738,COC1CC[NH2+]C1C(=O)N1CCC1=O,1,GDB ChEMBL
267907,CCCC1(CC[NH2+]CCC#N)CC(C)C([NH3+])C1,0,GDB ChEMBL
108149,CNC1CC(=O)OCOC1=O,1,GDB ChEMBL
318072,C#CC1CC(C)c2cc(CC)c(CC)cc21,1,GDB ChEMBL
190498,CC1NC(C[NH2+]CC(=O)[O-])C2OC1C2[NH3+],0,GDB ChEMBL
115060,CC(=N)N(CC(CO)[NH+]=C(N)N)C(N)=O,0,GDB ChEMBL
188533,CC(=O)N1C2C(C)C(O)CC21C#N,0,GDB ChEMBL
50246,CCC1(CC(N)=O)CC(=O)CC(=O)C1C,0,GDB ChEMBL
284345,CCNc1nc2cn[nH]c2cc1O,1,GDB ChEMBL
386553,[NH3+]CCNC(=O)Oc1c[nH]nc1O,0,GDB ChEMBL
81400,C#CCC1CCC(CC(CC)CCC)C1,1,GDB ChEMBL
67334,CS(=O)(=O)NC1C([NH3+])CC(C#N)C1N,0,GDB ChEMBL
301175,CCCCN1CC(=O)C(O)CC1=[NH2+],0,GDB ChEMBL
160019,CCC1C([NH3+])C(C)[NH+](C)C1C,0,GDB ChEMBL
59708,CCCCC(C)C1CC(CC)C2CC12,0,GDB ChEMBL
289395,CCc1cc(OC(C)C([NH3+])C(C)C)ccc1Br,0,GDB ChEMBL
96107,CC1=C2C3CCCC3CC2(CC[NH3+])C(=O)N1,0,GDB ChEMBL
300450,CN1CC2(C[NH+]=CN2)C(O)CC1=O,0,GDB ChEMBL
148347,NS(=O)(=O)C(=O)CCC1CCC[NH2+]1,0,GDB ChEMBL
338854,CC(=O)CC(C)C1C2CC=CC(=O)NCC21,0,GDB ChEMBL
174654,CC1([NH3+])C2CC[NH2+]C(CC(CO)O2)C1O,0,GDB ChEMBL
374879,CCC1(C)COCc2c(cc(C)nc2C)C1C,0,GDB ChEMBL
387319,CC1NCC(=O)C(NS(C)(=O)=O)C2C1N2C,0,GDB ChEMBL
118705,CC1C([NH3+])CC2[NH2+]CC(C#N)C21,0,GDB ChEMBL
233947,C[NH2+]CC1C2C3C(=O)CC(C32)N1C,0,GDB ChEMBL
75076,Nc1nc(Cl)ncc1C(=O)[O-],0,GDB ChEMBL
306262,C[NH2+]Cc1ccc(OC=N)cc1O,0,GDB ChEMBL
130473,COC(=O)C(O)(C[NH3+])C(=N)NC(N)=O,0,GDB ChEMBL
366631,CC1=CCCC2(CC2)CC(C)CCC(C)C1,0,GDB ChEMBL
334120,N#CCC(=O)NCC([NH3+])CN=CNC(=O)C[NH3+],0,GDB ChEMBL
277112,CCCCC1=CC(=O)CCC(C)C=C1C,0,GDB ChEMBL
46874,CS(=O)(=O)C1CN2CC2C1COCC(=O)[O-],0,GDB ChEMBL
282239,CCC(c1ccccc1Br)C1CCCC1,1,GDB ChEMBL
289255,CCC1(CC)CC([NH3+])C(CC2CC2)C1,0,GDB ChEMBL
326448,C#CC1(CC#N)CNC(C[NH2+]C)C(=O)O1,1,GDB ChEMBL
143205,CCC1C[NH+]2CC3CC(C)(O)C2C13,0,GDB ChEMBL
394282,CC(CNC(CC(N)=[NH2+])=[NH+]CC(=O)[O-])=NO,0,GDB ChEMBL
49164,O=C([O-])C1C(O)C12C[NH2+]C(CO)C2O,0,GDB ChEMBL
383953,CCC[NH2+]CC(=O)C(C)c1[nH]cnc1C,0,GDB ChEMBL
135401,C#CC1(CCC(C)C)CCC(C(F)(F)F)CC1,1,GDB ChEMBL
119265,NC(=O)NC1(C[NH2+]C2CC2)CC1,0,GDB ChEMBL
111540,C#CCNC(=O)NCC(C)OC=N,1,GDB ChEMBL
362031,NS(=O)(=O)CC1CC2OCC(O2)C1[NH3+],0,GDB ChEMBL
225831,C#CCC1CC(C)[NH2+]CC(C)C(C)(C(C)C)C1,0,GDB ChEMBL
274059,N=C(N)N1C(=O)C(=O)CC1C=O,0,GDB ChEMBL
70854,CC[NH+](C)CC1C[NH2+]CC12CC2,0,GDB ChEMBL
334390,Cc1cc2c(c(Cl)c1C)C1CC1CO2,1,GDB ChEMBL
81735,CCCCC1CCCC2CCCCC(C1)C2C,0,GDB ChEMBL
166466,CCC1CCCCC(CC)C(C)C(OC)C1C,0,GDB ChEMBL
255128,CCC1(C)CC(C)C(C(F)(F)F)CC1C,0,GDB ChEMBL
371688,NC(=O)c1cc(O)n2cnc(N)c(Cl)c12,0,GDB ChEMBL
102127,CCC1CC(=O)C([NH2+]C)C2OC12,0,GDB ChEMBL
334716,CCOC1CCCOC(C)(C)OCC[NH2+]C1C,0,GDB ChEMBL
315165,CC(CC1(C)CC1C)c1ccccc1,1,GDB ChEMBL
60964,CCC[NH2+]C1(CO)CNC(=O)C1,0,GDB ChEMBL
16057,CC[NH2+]CC1=CCC(CC(C)(C)O)C1,0,GDB ChEMBL
246821,CCC([NH3+])C1C2Cc3c(F)cncc3C21,0,GDB ChEMBL
104630,NC(=O)C(N)C1(C2CC2)[NH2+]CC1O,0,GDB ChEMBL
132834,C#CC1=CC=CCCC(CC)C(O)C1C[NH3+],0,GDB ChEMBL
77764,CC1Cc2ncsc2N1CC(N)=O,0,GDB ChEMBL
170444,N=c1ccn(CCCOCC[NH3+])cc1F,0,GDB ChEMBL
296624,C#CC(O)CCOCC(CO)CCO,1,GDB ChEMBL
376998,CCC(CC)(Cc1cccc(C)c1)CC(C)C,1,GDB ChEMBL
349498,C#CCC([NH3+])C1CCCC2CC2C1,0,GDB ChEMBL
269180,CC(C=O)C[NH+]=C(N)N(C)C,0,GDB ChEMBL
4786,COC1CCCC(C)=CC=C(CCO)C1,0,GDB ChEMBL
193220,O=C1C2CCCCC1CCC2,1,GDB ChEMBL
386571,CCC1OC(=O)NCCC(C=O)C1OC(C)=O,0,GDB ChEMBL
297058,CC#CCN1CC2OC2C1,1,GDB ChEMBL
271624,CCC1(CC)CC2CC([NH3+])C(C)C(C2)C1,0,GDB ChEMBL
271037,CCN1CC1(C)C(N)=O,0,GDB ChEMBL
252062,CN(C)C(=O)C(CO)NCCC(=O)C#N,1,GDB ChEMBL
157504,CCC([NH3+])(CC)Cn1cnc(NC)c1C(=O)[O-],0,GDB ChEMBL
255501,CCC1C(C(C)[NH2+]C)CC2OC1C(C)C2CO,0,GDB ChEMBL
267915,C[NH+](C)CC1C2C=CC(C(N)=O)N21,0,GDB ChEMBL
347970,CCNC(=O)OCC(=O)C(NC)C(C)=NO,1,GDB ChEMBL
132253,CN(C(N)=O)C1C(O)C2C1(C)CNS2(=O)=O,0,GDB ChEMBL
305781,O=Cc1c[nH]c2sccc12,1,GDB ChEMBL
316444,C#CC1CCC(C)C(CC)(COC)C(O)C1[NH3+],0,GDB ChEMBL
57270,C#Cc1cc(CC)c(O)cc1C,1,GDB ChEMBL
177849,C#Cc1ccoc(=O)c1,1,GDB ChEMBL
186666,CCC1CCC(CC(C)C)C(C)(C)C(C)(C)C1,0,GDB ChEMBL
382108,CCC1CCC2CCC1(C)C2C(C)C,0,GDB ChEMBL
102334,CCCC(C)(C1CC(=O)CC(C)C1)[NH+](C)CC,0,GDB ChEMBL
305514,CC(O)C[NH2+]CC(NC=O)C1([NH3+])CC1,0,GDB ChEMBL
118466,COC12CC[NH2+]C(C)C(C)CC1([NH3+])CC2,0,GDB ChEMBL
221110,COCc1cc(C2CC2)cc(C)c1Br,1,GDB ChEMBL
348449,COCC(O)C1C[N-]S(=O)(=O)C1=O,0,GDB ChEMBL
111878,CC1[NH2+]C2C(COC2C)CN(C)C1=O,0,GDB ChEMBL
337100,Cc1cnc(NC2C([NH3+])COC2(C)C)s1,0,GDB ChEMBL
284288,CC1NC(=O)CC2OC1OC2C,1,GDB ChEMBL
819,CC(C)CC12CCCCC1(CC(F)(F)F)C2,0,GDB ChEMBL
208296,CCC(C1CC(C)C([NH3+])C1)C(C)C(=O)[O-],0,GDB ChEMBL
92909,CCC1CCC2(C)C(C([NH3+])CC(C)C)CC12,0,GDB ChEMBL
201343,C[NH2+]C1C2(C=CC3COC31C)CCNC2=O,0,GDB ChEMBL
311373,CCNc1nc2cc(=O)nc(N)n2nc1[O-],0,GDB ChEMBL
234217,CC([NH3+])C1CN2C(C(N)=O)CC(O)C12,0,GDB ChEMBL
6021,C#CC[NH2+]C1COCC12CC2C,0,GDB ChEMBL
300244,CC(=O)C1C=C(C)NC1=O,0,GDB ChEMBL
336628,CC(O)C1C(=O)OC2C(=O)NC1C2(O)CO,0,GDB ChEMBL
308231,CCC(CC(C)(C)C)C1CCC(C)(C)C1CC,0,GDB ChEMBL
40283,CCc1nc(Br)cc2c1CCO2,1,GDB ChEMBL
258228,N#CC1CCC(CCO)C12CC2OC(N)=O,0,GDB ChEMBL
249833,COCC(=O)C1(C)CN(C)C1,1,GDB ChEMBL
92869,CC1CC(C#CC[NH+](C)C)OC1=N,0,GDB ChEMBL
85015,CCC(O)C1CC2CC(C)C1C2,1,GDB ChEMBL
202510,CN1CC(C=O)(C(CC(=O)[O-])[NH+](C)C)C1=O,0,GDB ChEMBL
288930,CCC(CCO)(COC=O)C(O)CC[NH3+],0,GDB ChEMBL
53869,CCCC(CC1C(C)(C)C1(C)C)OCC,1,GDB ChEMBL
174189,COCC1NS(=O)(=O)C2OC1C(O)C2OC,0,GDB ChEMBL
295929,C#Cc1c(C)c(C)cc(C)c1CCC(C)CC,1,GDB ChEMBL
140307,CC[NH2+]CC1[C-](C#N)C(=O)C2OC21,0,GDB ChEMBL
243363,CCc1c(Cl)cc2c(c1C(C)CC)CC(C)C2,1,GDB ChEMBL
371696,CC(C)C(N)(CNC(N)=O)C[NH+]=C(N)N,0,GDB ChEMBL
217689,CC(C)CCC#Cc1ccc(I)cc1,1,GDB ChEMBL
341290,CC1=CC=C(C)CC(CCC2(C)C[NH2+]C2)C1,0,GDB ChEMBL
8707,CN1CCOCC1(C#N)C(=O)n1cncn1,0,GDB ChEMBL
218841,CNC(=O)C1CC1N(C)C(=[NH2+])CS(N)(=O)=O,0,GDB ChEMBL
79872,CCCCCC(C)(CO)C1CCCC(CC)C1,1,GDB ChEMBL
140841,CS(=O)(=O)C(CC#N)C(O)C(=O)[O-],0,GDB ChEMBL
279124,O=[N+]([O-])c1cnc(Br)cc1S(=O)(=O)CCO,1,GDB ChEMBL
41333,CC(=O)C1CC2C3CC[NH2+]CCC3C2C1C,0,GDB ChEMBL
111930,NC(=[NH2+])NCC12C=CC(C(=O)[O-])OC1C2,0,GDB ChEMBL
212552,COC(C)C1C(C)C(C(=O)[O-])=CCC2CN21,0,GDB ChEMBL
184638,C[NH2+]CC(C1=CCC(=[NH2+])NC1)N1CCCC1,0,GDB ChEMBL
80264,C[NH2+]CC1(COC)CC(C(N)=O)C1[NH+](C)C,0,GDB ChEMBL
79517,CC1(C)CCN=C1NC(=O)NC(=O)CC(=O)[O-],1,GDB ChEMBL
244440,CNC(=O)NC(=O)C[NH+](C)C,1,GDB ChEMBL
194224,CCC1C(=O)CN(C=O)C(CO)C1=O,1,GDB ChEMBL
334094,CCC1(C)C=Cc2cc(Cl)ccc2C(C)=C1,0,GDB ChEMBL
330035,CCOC1CC(C(=O)[O-])C1(C)C,0,GDB ChEMBL
277424,CC1C(=O)C(=O)N(C)C(=N)CC1C(C)(C)O,0,GDB ChEMBL
244603,Cc1c(F)c(CO)c2c3c(cncc13)CC2,0,GDB ChEMBL
349988,CN(C)C(=O)C1CC(C#N)(CN)C(NC=O)=N1,0,GDB ChEMBL
73866,Cc1nc(N)nc(C(=O)C(N)=O)c(=O)n1,0,GDB ChEMBL
115444,CNC(C)C(=O)OC1CNC(=O)C1(C)CC#N,1,GDB ChEMBL
355283,COc1cnc(C#N)c(C=O)c1Br,1,GDB ChEMBL
339267,CC1=CC2(C)CCCCC(=O)C1NC2=O,0,GDB ChEMBL
317572,C=CCc1c(C)cc(Cl)cc1C=C,1,GDB ChEMBL
45956,COC12C=C(C)CC1NC(=O)CCC(C)C2,0,GDB ChEMBL
316307,CCCC1OC2CC1NC2=[NH+]CC,0,GDB ChEMBL
203175,CCN1C(=O)CC(O)C(O)CS(=O)(=O)C1C,0,GDB ChEMBL
5026,C#CC1C(C)CC(C)([NH3+])CC1(C)CCC,0,GDB ChEMBL
282012,CCS(=O)(=O)N1C2CC[NH2+]CC(O)C21,0,GDB ChEMBL
308108,CCN1CCC(C[NH3+])S1(=O)=O,1,GDB ChEMBL
215278,CCC1CC2CC(CC)C1C1(C)CCC2CC1,0,GDB ChEMBL
148543,COC(=O)C1(C[NH3+])C(O)C2C3C1NS(=O)(=O)C23,0,GDB ChEMBL
159677,CC(C)C12CCCC(Cc3ccccc31)C2,0,GDB ChEMBL
5265,CCC1C(C)CCC(=O)CC1C,1,GDB ChEMBL
351169,CC(O)CC(=O)NC(=N)S(=O)(=O)[O-],0,GDB ChEMBL
279065,CC1C[NH2+]CC2CC(O)C1OC(=[NH2+])NC2C,0,GDB ChEMBL
66643,NC(=O)C1CC(O)C2OCC1(O)C[NH2+]CC2O,0,GDB ChEMBL
45034,CNC(=[NH2+])CC1(C)Cc2ccc(Cl)c(C)c2C1,0,GDB ChEMBL
51085,NC(=O)CC(COS(N)(=O)=O)N1CCC1,1,GDB ChEMBL
136429,CCC12CCCC(C[NH3+])C1C(C)CC2[NH3+],0,GDB ChEMBL
340414,C#CCC(C)([NH3+])Cc1cnc(CC)n1C,0,GDB ChEMBL
243322,O=C([O-])C1NC2C(=O)OCC12,0,GDB ChEMBL
269320,C=CC(=O)N1CC1C(O)C([NH3+])CC,0,GDB ChEMBL
93136,C[NH+]=C1NC(C(=O)[O-])C2C(N)CN12,0,GDB ChEMBL
81443,CC1C=CC2Cc3ccc(Cl)cc3C3C1C23,0,GDB ChEMBL
209831,CC([NH3+])CC1CCC(C)C([NH3+])CC1,0,GDB ChEMBL
308119,CC#CC(C)(O)c1nc(O)nc(C)c1CC,0,GDB ChEMBL
181005,CC1(CO)C2CN(C(N)=O)C(C)(C#N)C1CO2,0,GDB ChEMBL
265273,CCc1cc(Br)cc(C2CC(C)C2)c1,1,GDB ChEMBL
23606,O=C1CC2OCC(O)(CN1)CC2=NO,0,GDB ChEMBL
184298,CCCC12CCCC(=O)OC1CC[NH+](C)CC2,0,GDB ChEMBL
252321,C=CCC(C#N)C(=O)N(C)CC#N,1,GDB ChEMBL
201358,[NH3+]CCCCOC=NCCO,0,GDB ChEMBL
280662,CC1(C(N)=O)CC([NH3+])C(C(O)C[NH3+])OC(=O)O1,0,GDB ChEMBL
283452,NC(=O)C([NH3+])CCNc1cnco1,1,GDB ChEMBL
338511,CCC(=O)Nc1c(O)nc2nnn(C)c2c1O,0,GDB ChEMBL
395597,C#CC(C#C)C1C(=O)CC(C)CC1C(C)(C)C,0,GDB ChEMBL
305825,CC(CO)[NH2+]Cc1cc(C[NH3+])c(N)s1,0,GDB ChEMBL
34299,C=CC1C2CC(C)C3C(C[NH+]1C)C23,0,GDB ChEMBL
44083,C=C(C(=O)CC)C(O)COC(N)=O,1,GDB ChEMBL
361639,CCC(=O)C1C2C=CC1C1COCC2C1O,0,GDB ChEMBL
148749,CCCCCN(C=N)C=O,1,GDB ChEMBL
257485,CC12OC1C(CO)[NH2+]C1CC12,0,GDB ChEMBL
36204,C[NH2+]C(C(=O)[O-])C(C)(C#CCO)CO,0,GDB ChEMBL
292914,C#CC(=O)C(C)(C)Nc1ncc(Cl)cc1C,1,GDB ChEMBL
227641,CCC1CCCC1C1CCC(C)(CC)C(C)C1,0,GDB ChEMBL
299157,CC(O)CC1NC(=O)C1[NH3+],0,GDB ChEMBL
51892,CCC(CC)c1c(CC=O)cc(C)c(C)c1C,1,GDB ChEMBL
277416,CCN(C(=N)C#N)C(=O)C(=O)[O-],1,GDB ChEMBL
377349,C#CC(C)(C1CCC(O)C1)C(C)(O)CC(C)=O,0,GDB ChEMBL
283236,C#CC1(CC)CC2(C[NH2+]1)COC2,0,GDB ChEMBL
184913,C[NH2+]CCC1NC(C)C1OC,0,GDB ChEMBL
234468,Cc1c(Br)ccnc1C[NH3+],1,GDB ChEMBL
309193,Cc1nc(-c2nnn[n-]2)sc1CC(=O)[O-],0,GDB ChEMBL
288728,NC(=[NH2+])C1(C(O)CO)CC(O)C(O)C1C(N)=O,0,GDB ChEMBL
177149,COS(=O)(=O)NC1CC(C(N)=O)N(C)C1,0,GDB ChEMBL
177307,COCCNC(=O)c1nc(N)c([O-])s1,0,GDB ChEMBL
334034,CCCCCC(C)([NH3+])CC(CC)c1ccco1,1,GDB ChEMBL
347044,CCC(C[NH2+]C)N(C)C=[NH2+],0,GDB ChEMBL
318043,CN1CC(=O)OC(C#N)C1(C)C#N,1,GDB ChEMBL
322849,CCCC1C2CCCCC(C2)CC1(C)C,0,GDB ChEMBL
41327,NC(=O)C1N=C(CNC=O)OC1=O,1,GDB ChEMBL
152514,C=C1C=CCC1N1CC(OCC)C1,1,GDB ChEMBL
354421,COC(C)C12CCC(O)C1C2,1,GDB ChEMBL
135804,CCCC1(C)C(C)CC2=CCCC21,1,GDB ChEMBL
354834,CC1=CCC(C)CC(C)(C)C1C(C)C,0,GDB ChEMBL
268183,CC1NC(=O)CNc2c(N)nsc2NCC1O,0,GDB ChEMBL
387076,COC1C(O)C(=O)NC(CC(N)=[NH2+])C1O,0,GDB ChEMBL
251806,CNC(=O)c1ncoc1C,1,GDB ChEMBL
204478,CCOCC(=N)NC(=O)C([NH3+])CCOC,1,GDB ChEMBL
81486,CC1(C)CC=C(C(=O)CO)C1C#N,1,GDB ChEMBL
381462,CCCC1=CCCC=CCC1,1,GDB ChEMBL
203647,CC(O)C1N(C)CC([NH3+])C2CC21O,0,GDB ChEMBL
182074,Cc1nc(C=O)ccc1NCc1ncc[nH]1,1,GDB ChEMBL
47344,CC[NH+](C)C(C)C1(C)CCC(C)(C)COC1=O,0,GDB ChEMBL
214426,CCCCOCC(CC)OC(=O)S(N)(=O)=O,0,GDB ChEMBL
224003,NC(=O)NC(=O)C(O)COc1cscn1,1,GDB ChEMBL
309681,CCC1C2C[NH+](CCC13CCCO3)C2,0,GDB ChEMBL
61301,[NH2+]=C1NCC(O)C2(CO)C(C(=O)[O-])N12,0,GDB ChEMBL
180798,CC([NH3+])C1NC(=O)C(O)CC1O,0,GDB ChEMBL
199478,CCc1cc2c(CCO)c(F)ccc2cc1F,1,GDB ChEMBL
270991,COC(=[NH2+])N1CC(O)(C(=O)[O-])C1,1,GDB ChEMBL
325255,CC1NC(=O)OC12C(O)COC2C(=O)[O-],0,GDB ChEMBL
130845,CCC(O)CC12CCC=C1CCC(C)C2,0,GDB ChEMBL
19661,COC(C)C(CO)C1C(O)C1C(=O)[O-],0,GDB ChEMBL
77382,C#CC1CCC(CCOC)CC(C)([NH3+])CC1C,0,GDB ChEMBL
234943,C#Cc1ccc(Cl)c2c1C1(C[NH2+]C1)CO2,0,GDB ChEMBL
319318,C#CC(=O)NC(C)C(=O)C(C)C,1,GDB ChEMBL
175695,CCC1CC2CC(CC(C)C)(CCCC2C)C1,0,GDB ChEMBL
354635,CC1(C2CC(O)C=C(C(N)=O)C(=O)O2)CO1,0,GDB ChEMBL
127281,CC(=[NH2+])NCc1cc(I)cc2c1CCO2,0,GDB ChEMBL
305785,CC1CC(=[NH2+])N2CCOC(CC(=O)C1)C2,0,GDB ChEMBL
389659,CC1OCC([NH3+])C=CC[NH+](C)CCC1[NH3+],0,GDB ChEMBL
79499,CC#CC(C)=CCC=CCCCC,1,GDB ChEMBL
148873,Cc1c(N)ccc(C(C)C)scc(C=O)c1O,0,GDB ChEMBL
383345,NCC([NH3+])CC1(N)C(=O)NC(=O)C1CO,0,GDB ChEMBL
124328,CC(C)c1csc2cc(Br)c(C3CC3)cc12,1,GDB ChEMBL
74315,CC1[NH2+]C2C(C[NH3+])CC3(C(=O)[O-])C1C23,0,GDB ChEMBL
271826,CC1CC2CC2(C)C(c2cccnc2)C1C,1,GDB ChEMBL
288616,CCc1cc(C)c(C2CC2C[NH2+]C)c(F)c1,0,GDB ChEMBL
365751,CC#CC(C)C1(C)CC(CNC(C)=O)C1,0,GDB ChEMBL
165943,NC(=[NH2+])C1OCOC(=O)C(N)CCC1CO,0,GDB ChEMBL
319811,COC1CCNC=C1C(N)=O,0,GDB ChEMBL
376062,O=C(CC1CN1)NC(=O)Nc1ccon1,1,GDB ChEMBL
274073,CCC1(CC[NH2+]C)CCC1,0,GDB ChEMBL
325253,C#CC1=CCCC(CC(=O)[O-])(C(C)C#N)C1,0,GDB ChEMBL
382574,CC1(O)C2CCC=CCC1[NH2+]C2,0,GDB ChEMBL
112587,C1=CC(C23CC2c2ccccc2N3)CCC1,0,GDB ChEMBL
174241,CC1COC(=O)N(C2C[NH2+]C2)C=NC1C[NH3+],0,GDB ChEMBL
330767,CC(C)CCC1(C)CC(C[NH3+])CCC1C#N,0,GDB ChEMBL
152501,CC1(O)C(=O)NC2C=CS(=O)(=O)NC(CO)C21,0,GDB ChEMBL
100723,CC(C)C(C)[NH2+]C1C2(C)CC=CCC12C,0,GDB ChEMBL
81507,CC1(O)C(CC(=O)[O-])C(O)C2[NH2+]CC21,0,GDB ChEMBL
234271,C#CCC(c1ccc(Cl)cc1)C1CC(C)C1,1,GDB ChEMBL
17351,CCC1CC2CCCC(C)C2C12CCCCC2,0,GDB ChEMBL
243885,CCC1C[NH+]2CCC(=O)C3OCC1C32,0,GDB ChEMBL
274868,COC1CC2(C#N)[N-]C(=O)C(C(C)C)CC12,0,GDB ChEMBL
343960,CC1CC2(CO)C(=O)NC(=O)OC1(C)C2O,0,GDB ChEMBL
359086,Cc1ccc2c(c1)C1OC(C)C([NH3+])CC1=C2,0,GDB ChEMBL
156747,CC(C[NH3+])(CO)CC1NC(=[NH2+])C(O)C1O,0,GDB ChEMBL
330063,CC(C[NH3+])C1NC(=N)NC(=O)C2(N)CC12O,0,GDB ChEMBL
112626,CCC1CC(=NO)C2(CO2)C(=O)CC[NH2+]1,0,GDB ChEMBL
48191,C#Cc1cc(C2(C)CCC2)ccn1,1,GDB ChEMBL
43913,CC(O)C1CCC1C1CC[NH2+]CC1O,0,GDB ChEMBL
46900,COC(=[NH2+])NCC(N)(C#N)C#N,0,GDB ChEMBL
4873,C[NH2+]CC(C)CC1(C)CC1C[NH3+],0,GDB ChEMBL
351161,CCC(O)(CC)C1CCOC(C)(C)C1C(C)C,0,GDB ChEMBL
276314,CCCC(CC(CC)CC)NCC(F)(F)F,1,GDB ChEMBL
225178,CC(OCC(=O)[O-])C1(C)C=CC[NH2+]CC1,0,GDB ChEMBL
304169,COCC1OC(C[NH3+])C(CO)C1O,0,GDB ChEMBL
189862,CCCN(C(C)=N)C(=O)[C-](C#N)OC=O,0,GDB ChEMBL
68445,CC(C)C(CO)C1(C)CCCCC1,1,GDB ChEMBL
311016,COC(=O)C12CCC3NCC(=O)N1C32,0,GDB ChEMBL
58477,CC1C(CCO)C=CC1(NC(N)=[NH2+])C(N)=O,0,GDB ChEMBL
123058,COC(=O)C1C2C(O)CC(C)([NH3+])C12N,0,GDB ChEMBL
355436,CCCC(OC)C1CC2NC2C1[NH2+]C,0,GDB ChEMBL
101919,CCCCCC(O)C(C)C,1,GDB ChEMBL
142518,C#CC(CCC)CCC(O)CC,1,GDB ChEMBL
44624,CC1(CC#N)C2CCC(CCO)[NH2+]C21,0,GDB ChEMBL
265251,CC1(OCc2c[nH]nc2N)CC1,1,GDB ChEMBL
1058,CCCC([NH3+])C(NC)c1ccc(Br)nc1CO,0,GDB ChEMBL
305092,C#CC(Nc1cccs1)(C(=O)[O-])C(C)C,0,GDB ChEMBL
310306,C[NH2+]C(C1CC1)(C1CC1)C1CC1,0,GDB ChEMBL
379698,CCN1CC(C)(O)C2C1=NC(C(N)=O)C2O,0,GDB ChEMBL
148535,NC(=O)CNCC(=O)OCS(=O)(=O)C1CC1,0,GDB ChEMBL
148761,C#CC1=CC(C)=CC(=O)CCCC[NH2+]C1,0,GDB ChEMBL
271119,C[NH2+]CC#Cc1cc(C)c(Cl)c(Cl)c1,1,GDB ChEMBL
222867,CNC(=O)C(C)C(O)C([NH3+])C1CC1O,0,GDB ChEMBL
228350,CNC(=O)C1CC2CC1C([NH3+])C(O)C(C)C2C,0,GDB ChEMBL
140327,N=C1NC(CNC(=O)C[NH3+])COS(=O)(=O)N1,0,GDB ChEMBL
338554,C[NH+]1CC([NH3+])C2CC(C1)C2(C)C,0,GDB ChEMBL
279127,CC1C2C3CCC[NH2+]CCC(CC3)C12,0,GDB ChEMBL
53087,CCC1CCCOC(C(C)O)C(C)CC(C)[NH2+]1,0,GDB ChEMBL
377756,C[NH2+]C1(C(O)CO)CCc2ccc(Cl)cc2C1,0,GDB ChEMBL
181610,CC(O)C(CO)C1C(C=O)N1S(C)(=O)=O,0,GDB ChEMBL
303882,CC(C)C(C(N)=[NH2+])C(N)=[NH2+],0,GDB ChEMBL
299198,CC12C(C(=O)[O-])N1C(=O)CNS2(=O)=O,0,GDB ChEMBL
172339,C[NH+]1CC2C34C=CC2(CCC3)C4C1,0,GDB ChEMBL
204538,CC1CNC(=O)C2OC2C1C,1,GDB ChEMBL
215835,C#CC[NH2+]CCC1CC(C)=CC1C(C)(C)[NH3+],0,GDB ChEMBL
347976,CC(O)C1CCC2(C)CC=C(C[NH+]1C)C2,0,GDB ChEMBL
133023,C#Cc1cnc(O)nccn(C)c1CC[NH3+],0,GDB ChEMBL
341895,C[NH2+]CC1OC(C#N)CC1OCC[NH3+],0,GDB ChEMBL
173984,C=CC1CC2CC([NH3+])CC(O)C2C1,0,GDB ChEMBL
64120,CC1CC2(C(O)C2(C)[NH3+])N(C)C1=O,0,GDB ChEMBL
31770,CC1CC2(C[NH3+])C(=O)OC1(C)CC([NH3+])C2O,0,GDB ChEMBL
141814,N=C(NC(=O)C[NH3+])C(CO)NC(N)=[NH2+],0,GDB ChEMBL
45097,[NH3+]CCC1CCCNC(=O)C2CN2C1,0,GDB ChEMBL
354148,CCC1(CC(C)(C)C)CC(C)[NH2+]C(C)C(C)C1,0,GDB ChEMBL
173715,CCNC(=O)CC(O)S(C)(=O)=O,1,GDB ChEMBL
267379,CC#CC12CCCCC=C(CC[NH2+]1)CC2C,0,GDB ChEMBL
119867,C#CCCC[NH+]=CNCc1ccc(Br)c(O)n1,0,GDB ChEMBL
141911,CCCCC1C[NH+](C)C(C)C1C,0,GDB ChEMBL
26838,C#CC12CCCC[NH+]=C(CC1C(CO)OC)N2,0,GDB ChEMBL
274918,C#CC(O)CC(=O)C(C)C(C)=O,1,GDB ChEMBL
392720,N#CC1(N)C2NCCC(O)C21,0,GDB ChEMBL
360856,C[NH2+]C1(C)CC2CCC(C)(C)NC1CNC2=O,0,GDB ChEMBL
260122,CCOCC(=O)c1cnccc1[N+](=O)[O-],1,GDB ChEMBL
278158,CC1(NC(=O)CO)CC(N)C(C(N)=[NH2+])NC1=O,0,GDB ChEMBL
7433,COC1(C)CC([NH3+])C2CC(C[NH3+])C(C)C21,0,GDB ChEMBL
394875,COCCC1CNC(=O)CC12CC2(C)O,0,GDB ChEMBL
204445,CC(=O)Nc1nc2cc[nH]c2n1C,1,GDB ChEMBL
339269,CCCCC(C)CC1(CCC(C)O)CC1C,0,GDB ChEMBL
214453,CC1OCCNC1C1C(C#N)N1C,0,GDB ChEMBL
13175,N#CCC(C1CC1)C(O)C1CC1,1,GDB ChEMBL
107665,CCCCC1CC1C[NH2+]CCC[NH3+],0,GDB ChEMBL
119455,CCC(O)CC[NH+]1CCC2CCC(CC2)C1C,0,GDB ChEMBL
22572,C[NH2+]CC(O)C1(C#N)CC2(CC2)OC1C,0,GDB ChEMBL
33280,CC1C2CC[NH2+]C(C2)C1C1CC1,0,GDB ChEMBL
62769,NC(=O)NC1C(=O)OC(C(=O)[O-])C1[NH3+],0,GDB ChEMBL
155836,CC1CC=C(CC[NH3+])CC1[NH3+],0,GDB ChEMBL
76081,CCCCC1(C)CC(C)CC(O)C2CC2[NH2+]1,0,GDB ChEMBL
97181,CC1(CC(C#N)CC(N)=O)C=CCC1C=O,0,GDB ChEMBL
261444,Cc1nc(OC(C)CCC(N)=O)co1,1,GDB ChEMBL
153201,CC1C2CCC[NH+](C)CC1C2C,0,GDB ChEMBL
93790,COCC1NC1(C[NH3+])C[NH3+],0,GDB ChEMBL
86726,C#CCNC1=[NH+]CC(O)C(C#N)CN1,0,GDB ChEMBL
239397,CC(=O)C(C(C)CO)C1CC1,1,GDB ChEMBL
93761,CC1C(C(=O)[O-])C12[N-]C(=O)NC2=O,0,GDB ChEMBL
34959,C#CC1([NH2+]CCC)CCC(=O)C1=C,0,GDB ChEMBL
319324,C#CC(CCCS(=O)(=O)[O-])NC(N)=O,0,GDB ChEMBL
95509,COCC(CC(O)S(=O)(=O)[O-])C(=O)[O-],0,GDB ChEMBL
89322,CC1CC2(C)CC(O)C1C2C1CCCC1,0,GDB ChEMBL
263245,O=C(NCC(O)CO)Nc1sncc1[O-],0,GDB ChEMBL
368219,Cc1ccc(Cl)cc1CCC1(C)CC1C,1,GDB ChEMBL
194440,CCc1c(F)c(NC)c2scc(N)c2c1C,1,GDB ChEMBL
201018,CC1C(=O)NC2CC2(O)C(=N)N1CCO,0,GDB ChEMBL
29432,CC1C2C3OC(=O)C12NC3C(N)=O,0,GDB ChEMBL
210975,C#CC(C1CCC(=O)N1)C(C)(O)C(CC)CC,0,GDB ChEMBL
67875,CC1OC1(C([NH3+])C(N)=O)C(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
392478,CCC1C(C)=CCC2CCCCC21,1,GDB ChEMBL
121949,CCCS(=O)(=O)[N-]C(=O)C1NCC1[NH3+],0,GDB ChEMBL
96055,CC1=CCC[NH+]=C(CN(C)C(C)C)N1,0,GDB ChEMBL
159851,CCC12CC1COC(C)C2O,1,GDB ChEMBL
315267,CC1C2([NH3+])C(=[NH2+])NC(C(N)=O)C12C(=O)[O-],0,GDB ChEMBL
255124,C#CC(CC1CCC1)OC(C)CCCC,1,GDB ChEMBL
279064,COC(=O)C12CNC(=O)C1O2,0,GDB ChEMBL
381503,O=CNC1CC(CO)NC(=O)C(O)C1O,0,GDB ChEMBL
272517,CCNc1cc([O-])c(=[NH2+])cc(C)c1OCC,0,GDB ChEMBL
296305,CC1CC2(CC[NH2+]C2)C2C(C)C2C(=O)O1,0,GDB ChEMBL
203274,C#CC(CCCO)NCC1C[NH2+]CCC(C)O1,0,GDB ChEMBL
324253,CCOC(CO)C(OC)C(O)C#N,1,GDB ChEMBL
254272,CCc1ccc2n(cc(C)c(C)c1)CCCC2,0,GDB ChEMBL
228478,N#CC(O)(C#N)CNCCO,1,GDB ChEMBL
210731,C[NH2+]C1C2N(C)CCC12C,0,GDB ChEMBL
122845,CCCOC(=O)Nc1cnsc1[N+](=O)[O-],0,GDB ChEMBL
202470,CCCC1(CC(C)(C)O)CO1,1,GDB ChEMBL
210992,CC1CC2C[NH+]3CCCC3CCCC2(C)C1,0,GDB ChEMBL
126589,CC1C2C[NH+](C)CCC([NH3+])CC(O2)C1(C)O,0,GDB ChEMBL
277897,OCC1C2CCCC3CCC([NH2+]3)C12,0,GDB ChEMBL
34855,CC1CC[NH+]=CNC2CNC(=O)OC2(C)C1O,0,GDB ChEMBL
282254,C#CC(C)[NH2+]C1CCC(C[NH2+]C)C([NH3+])CC1C,0,GDB ChEMBL
227610,CC1=CCC[NH+](CC(=O)C(C)C)C2CC1C2,0,GDB ChEMBL
252722,N#CC1(C(C=O)c2cccc(F)c2)CO1,0,GDB ChEMBL
245491,COCCNc1nc([O-])nc(=N)c(N)n1,0,GDB ChEMBL
153263,CN1C(=O)C(S(C)(=O)=O)CC1C(C#N)=N[O-],0,GDB ChEMBL
339126,NC1=[NH+]CCC2(CCN1)NC(=O)CC2O,0,GDB ChEMBL
333861,NC(=O)c1noc2c1CC1CC(C[NH2+]1)C2=O,0,GDB ChEMBL
398201,CC1([NH3+])CC2COC(C(=O)[O-])C1(O)C2O,0,GDB ChEMBL
82170,CNC(=O)N(C(N)=O)C1(CC[NH3+])C[NH2+]C1,0,GDB ChEMBL
129537,CC(O)(C[NH3+])C1OC(C(N)=O)C([NH3+])C1O,0,GDB ChEMBL
230366,CCC1CC(C)OC(C[NH2+]C)C([NH3+])CO1,0,GDB ChEMBL
321778,CC(CCCC(F)(F)F)C1CC12CCCC2,1,GDB ChEMBL
72029,CCC(C)[NH2+]C1CC1NC(N)=O,0,GDB ChEMBL
352650,COc1cc(O)c2cc(C[NH3+])oc2c1C[NH3+],0,GDB ChEMBL
318168,NC(=O)C1CC2CN=CN2C1=O,0,GDB ChEMBL
23471,CCOC1CCCC=CC1CC,1,GDB ChEMBL
83048,CCCC(=N)Nc1cc(NC)cc[nH+]1,0,GDB ChEMBL
201077,CCCC1(C)C=CC[NH+]1C1CC1,0,GDB ChEMBL
394247,CC1CCC(C(CC(N)=O)S(=O)(=O)[O-])C(=O)N1,0,GDB ChEMBL
243756,CC1C2CS(=O)(=O)CC1N2C(=O)CO,0,GDB ChEMBL
271534,C#Cc1ccc(F)cc1C#CC#CC,1,GDB ChEMBL
6514,CC1C(CO)CC(O)c2c(CO)ccn2C1C,0,GDB ChEMBL
153745,CS(=O)(=O)CC1(C#N)CC(C(N)=O)C(=O)O1,0,GDB ChEMBL
94629,CCN(C=N)c1cc(C)cc(C)c1F,1,GDB ChEMBL
243391,CCCC#CCC(=O)NCC(F)(F)F,1,GDB ChEMBL
284781,CC12CC3C(CNC1=O)C3C[NH2+]2,0,GDB ChEMBL
95486,COCC(C)(C(=O)[O-])C1(O)CC1,0,GDB ChEMBL
339964,COC(C=O)C(C)COC(C)=O,1,GDB ChEMBL
246978,CC1OCC2C(C(N)=O)NCC(C#N)C1C2[NH3+],0,GDB ChEMBL
120381,Cc1ncsc1C[NH+]=C(N)CN(C)C(=O)C[NH3+],0,GDB ChEMBL
127035,C#CC(C#C)C(C)[NH+]1CC(CC)C1,0,GDB ChEMBL
337135,CC#CCCCCC=C(C)C(C)C,1,GDB ChEMBL
234997,C#CCc1c(COC)cc(C#N)c(C)c1NC,1,GDB ChEMBL
288608,CCc1cc(I)cc(CN2CC(C)(C)C2)c1,1,GDB ChEMBL
159859,N=C1OC(=O)C2OCCCNC1C2O,0,GDB ChEMBL
34938,CC1C=CC2(C)CCCCCC2C(C)C1,0,GDB ChEMBL
76772,COC(CC[NH3+])=NCCCCCS(=O)(=O)[O-],0,GDB ChEMBL
21519,CCC1OC2CC(C)C1CC(C)(C[NH3+])C2,0,GDB ChEMBL
387280,COC1CC(C)(C(O)C([NH3+])CO)CO1,0,GDB ChEMBL
180984,NC1=[NH+]CC(O)C(CNC(=O)COCC=O)N1,0,GDB ChEMBL
140788,CCNc1nc(N)cnc(C)oc(CN)n1,0,GDB ChEMBL
369907,CC(C)C1C(O)COC1C,1,GDB ChEMBL
339257,CCCCCC1CC2CC3CCCC3(C)C2C1,0,GDB ChEMBL
225818,CCC1=CCC(O)C1[NH+](C)C,0,GDB ChEMBL
280287,CCC12Cc3ccc(C)cc3CN=C1OCO2,0,GDB ChEMBL
136430,CC(C)OC(=Nc1ccon1)NC(N)=O,1,GDB ChEMBL
210172,C[NH2+]CC(C)(O)C1C(=O)N2C(N)=NCC12,0,GDB ChEMBL
284006,CCC1CC(C(C)O)C(C)C1[NH3+],0,GDB ChEMBL
153758,C#CCCC(C#CC)(CC)CC(C)C,0,GDB ChEMBL
368415,CC(O)CNC(=O)CNCC(N)(C#N)CC#N,1,GDB ChEMBL
97075,COCC1(C(C)=O)CNc2cc(N)c(C)n2C1,0,GDB ChEMBL
271070,C#CCC([NH3+])C1C(C(C)O)N1C,0,GDB ChEMBL
380308,NC(=O)C1CC2(CO)CN2C(C(=O)[O-])C1O,0,GDB ChEMBL
386422,CC1CN1C(C(N)CC[NH3+])C([NH3+])CO,0,GDB ChEMBL
230436,[NH3+]C1CC(=O)N2CC2C([NH3+])C1n1ccnc1,0,GDB ChEMBL
210214,OCC(O)C1(CO)COCCCC1O,0,GDB ChEMBL
322822,O=C1CS(=O)(=O)CCNC(=O)C1O,0,GDB ChEMBL
61514,CC1Cc2cnn(C)c2C2(C)CCC2([NH3+])C1,0,GDB ChEMBL
299952,COC1OC2C(=O)CCC2(C)C1C,0,GDB ChEMBL
161368,C#CC(C=O)OC(C)=O,1,GDB ChEMBL
304125,C#CC1CC(C#CC)(C(C)NC(C)=O)C1O,0,GDB ChEMBL
169094,CC[NH+](C)CCOc1cnn[n-]1,0,GDB ChEMBL
197437,CCCCC1CC(C)CC=C1C(C)(C)CC,0,GDB ChEMBL
159710,N#CC1(N)CNC(=N)N2C(=O)CC(=O)OCC21,0,GDB ChEMBL
61700,N#CC(O)C(O)C(OC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
73821,CCC1(C)CC2C[NH2+]C(COC)CCC21,0,GDB ChEMBL
317612,CC(O)C1C(C)CC(C)(O)C1(O)CC#N,0,GDB ChEMBL
227494,C#CCCC(C)C(O)CCO,1,GDB ChEMBL
148907,CC[NH+]1CC2C=CC1C1(C)COC(=O)C21,0,GDB ChEMBL
127350,CCOC(=O)CN1CCC1,1,GDB ChEMBL
174895,CC(O)C(C=O)C1CC1,1,GDB ChEMBL
209714,Fc1cc(F)c(F)c(C2CCCC2)c1,1,GDB ChEMBL
147980,CCOc1cc2ncc(Br)c(CC)n2c1,0,GDB ChEMBL
156112,C[NH2+]C1C(=O)CC(C)C2C=CCC12C,0,GDB ChEMBL
177892,C#CC1CC2(CC)CC2[NH+](C)C1C(=O)[O-],0,GDB ChEMBL
190307,CCNC(C#N)C1CC(C)(O)C(C(O)CO)O1,0,GDB ChEMBL
290151,CCNC(CC#N)C(=O)C1CO1,1,GDB ChEMBL
144613,CNC(=O)CC1C=CC(=O)C(O)C1,0,GDB ChEMBL
255402,C#CCC1CCCC(C)C1C(C)(CC)CC,0,GDB ChEMBL
300901,C#CCC(C[NH2+]C)c1cccc(Cl)c1,0,GDB ChEMBL
331760,CC1CCCCC1CC1=CCC=C1,1,GDB ChEMBL
271843,NC(=[NH2+])NCC(N)C(O)C1C([NH3+])C1C[NH3+],0,GDB ChEMBL
248231,O=C([O-])C1CC(O)C2OCCC12,0,GDB ChEMBL
94889,CCC[NH2+]C1(C)CC(C)(C)C1,0,GDB ChEMBL
371745,COC1OC(CO)C2NCC[NH2+]CC3C1C32,0,GDB ChEMBL
334692,NC(=O)C(CO)CN1C(=O)C2([NH3+])CC1C2,0,GDB ChEMBL
35282,CC1CC2C=CC1CCCC1CCCCC21,0,GDB ChEMBL
140759,O=C([O-])CCNc1ccc([N+](=O)[O-])c(=O)cn1,0,GDB ChEMBL
273949,COCC1=CCCC2OC12CC(C)C,0,GDB ChEMBL
196484,CC(O)C1CNS(=O)(=O)C2C([NH3+])CC12C(N)=O,0,GDB ChEMBL
317757,CCC(CN1CC(OC(N)=O)CC1=O)OC,1,GDB ChEMBL
319305,Nc1nc2cc(C(F)(F)F)cc(F)c2cc1F,1,GDB ChEMBL
181371,CC[NH+]1CC2CCC1C1(C[NH3+])OCC(C)C1C2,0,GDB ChEMBL
162932,CC1(C)CC2C(O)C3CCC(CN)[NH+]3C2(C)C1,0,GDB ChEMBL
50318,CC1CC([NH2+]CC(O)C(C)C)CC(C(N)=O)C1,0,GDB ChEMBL
65607,[NH3+]C1CCC2=CCCC2C1,0,GDB ChEMBL
270089,CCC1CN(C)C2C(C)C[NH2+]C12,0,GDB ChEMBL
300190,O=CC1C2CNC(C(CO)O2)C1O,0,GDB ChEMBL
216269,CC[NH2+]CCC(C)(C)C1CC1,0,GDB ChEMBL
268189,CC1CC([NH3+])CCCC[NH2+]1,0,GDB ChEMBL
177866,C#CC1(O)C([NH3+])C1C1COC(=O)N1,0,GDB ChEMBL
165199,COC1C(=O)CC(=O)C2CC21C(N)=O,0,GDB ChEMBL
15993,COC(C)CN1CC1(C)C1CC(N)C[NH2+]1,0,GDB ChEMBL
60940,C[NH2+]C(C)Cc1c(C2CC2)ccc(C)c1Cl,0,GDB ChEMBL
273682,Cc1cccc(OC(C)CC(C)CCO)c1Cl,1,GDB ChEMBL
688,CCCCCC1CC(C)CC2C(CC)CC12,0,GDB ChEMBL
372606,CCC1OCC(N(C)C)C1(C)[NH3+],0,GDB ChEMBL
134445,CCC(C[NH3+])C(CC)C1([NH3+])CCCCCCC1,0,GDB ChEMBL
267325,CCCC1C2=NCCC[NH+]1CCOC(=N)N2C,0,GDB ChEMBL
25204,CC#CC(C)c1cc(C)ncc1N,0,GDB ChEMBL
388295,C#CCC1CCCC2C(C)CC(CC1)C2O,0,GDB ChEMBL
111569,CCCNS(=O)(=O)Cc1nc(CC)sc1C,1,GDB ChEMBL
173131,CC1=CC(C)(C)CCOc2cccc(c2)C1,1,GDB ChEMBL
107014,C=C(CO)C(C)CC1C=CCCC1,0,GDB ChEMBL
132713,Nc1cnn2c1C(=O)NCC1CC12,0,GDB ChEMBL
284002,[NH3+]CC(O)C1CC2COC(CO)C2[NH2+]1,0,GDB ChEMBL
70936,CCOC1C(C)(O)C(=O)N2CC12C#N,0,GDB ChEMBL
109553,CC#Cc1cccc(CC(C)C(C)C)c1,1,GDB ChEMBL
297247,CCS(=O)(=O)C1CC(O)COC1c1c[nH]cn1,0,GDB ChEMBL
285139,CC[NH2+]C1(C(N)COC=O)CCC(C)C1,0,GDB ChEMBL
45065,CC1=CCC2CC(C)CC2CC(C)CC1,0,GDB ChEMBL
254854,O=C([O-])CN1C(=O)COC2CC1C(=O)O2,1,GDB ChEMBL
102272,Cc1cc(C)c2c(n1)N(CC[NH3+])C1CC1N2,0,GDB ChEMBL
81570,CC(=O)OC(C(=O)[O-])(C(N)C#N)C(C)C[NH3+],0,GDB ChEMBL
214441,CC(O)C1CC2(CO)C(C#N)C2[NH2+]1,0,GDB ChEMBL
53882,CCCCC(CC)C1CC12CC=CC2,0,GDB ChEMBL
314960,Fc1ccc2c(c1F)CC=CCC#CC2,1,GDB ChEMBL
300000,CCCC(C)(C(C)[NH3+])C1(C)C2CCCCC21,0,GDB ChEMBL
31327,CCc1nc(CO)c(O)cc1N,1,GDB ChEMBL
271058,CC(=O)N(Cc1cc(=O)c([O-])no1)C(=O)CN,0,GDB ChEMBL
70315,COCCC(=O)CC(=O)C12CCCC1CCC2,1,GDB ChEMBL
146952,CC1CC(c2c(F)cccc2F)C2C(O)C12,1,GDB ChEMBL
51003,C#CC1CCC(C)N(C=O)C1,1,GDB ChEMBL
177144,C#CCCCC(CC)CCC#C,1,GDB ChEMBL
293854,NC1=[NH+]CCC2[NH2+]CC(N1)C1CCC2OC1,0,GDB ChEMBL
221396,CCS(=O)(=O)NC1C=CC2CC2NC1=O,1,GDB ChEMBL
151716,O=C1CC[NH2+]CC(C2(O)CC2)O1,1,GDB ChEMBL
314928,CCOC1CC(O)(C(O)C#N)CCC1C,0,GDB ChEMBL
379703,CC(CN(C(N)=[NH2+])C(N)=[NH2+])NC=O,0,GDB ChEMBL
255504,COCC1C(C)(CCO)CC(CCO)C1(C)C,0,GDB ChEMBL
9748,Cc1c(C(C)C)ccc2c1C(C)(C)CCC2,1,GDB ChEMBL
155164,CC1CC2NC(=O)C1(C)CC21CC1,0,GDB ChEMBL
200764,CC(N)=[NH+]CC(O)Cc1ncc(C)s1,0,GDB ChEMBL
66609,C#Cc1cccc(C2NC(CO)C2=O)c1C,0,GDB ChEMBL
223327,CNC1(C)C[NH2+]CC1CC(CO)OC,0,GDB ChEMBL
60606,NS(=O)(=O)CC1C=C(C(=O)[O-])CC(=[NH2+])N1,0,GDB ChEMBL
271309,CC(C)(O)c1nc([O-])ccc(=O)c1OCC[NH3+],0,GDB ChEMBL
102139,Cn1ncc([O-])c(Br)c1=O,0,GDB ChEMBL
305806,CCCn1nc(O)c(C)c1C(C)OCCCO,1,GDB ChEMBL
43921,CC(C)C1CC2CC3(CC3)CC2C1,0,GDB ChEMBL
291880,CC[NH+]1CCN2CC3CC(O)(CC[NH2+]3)C1C2C,0,GDB ChEMBL
48513,CC1C(O)C2CC([NH3+])C1C(=O)N2,0,GDB ChEMBL
130455,COc1ccsc(N)cc(OC(N)=O)c(O)c1,0,GDB ChEMBL
76066,C#CC1(CC2CC(=O)CCC[NH+]2C)CC1,0,GDB ChEMBL
324029,C[NH2+]C(C(O)CO)C(C(C)[NH3+])C1CNC(N)=[NH+]1,0,GDB ChEMBL
334123,C#CC(CCCC)[NH+](C)C1CCCC(C)CC1,0,GDB ChEMBL
3774,OCC1OC2CCC3[NH2+]C1CC32,0,GDB ChEMBL
64336,C#Cc1ccc2c(c1Cl)C=CCCC2,1,GDB ChEMBL
142928,CCC(C(N)=O)C1(O)COCOC1=NC,0,GDB ChEMBL
283389,C#CCC(C)C(OC)C(C)[NH3+],0,GDB ChEMBL
308140,NC(=O)OCC[NH2+]C1(C2CC2)COC1,0,GDB ChEMBL
124556,[NH3+]C1C(O)CNC(=O)CC(CCO)C1O,0,GDB ChEMBL
319180,CCc1c(I)cc(C)c(CC(F)(F)F)c1CC,1,GDB ChEMBL
94598,C=C1C(CCCC)CC2C=CCC12,1,GDB ChEMBL
281030,CC1CC(C#N)CC(O)C1C(O)C(=O)[O-],0,GDB ChEMBL
1118,[NH3+]C1C2CCC1OCC(=O)N2,0,GDB ChEMBL
389365,CNC1(C#N)C(C)C1c1cc(C)c(C)s1,0,GDB ChEMBL
321941,COC1COC(C)C([NH3+])C(O)C1O,0,GDB ChEMBL
165951,CCC1CCCOC(C)C2(CC)CC12,0,GDB ChEMBL
29502,CC(=O)NC(=O)C(O)C12CCCC1([NH3+])C2N,0,GDB ChEMBL
257504,CC(CO)C(=O)NC1C2C1(O)CNS2(=O)=O,0,GDB ChEMBL
235662,C#CC1C(C#N)N(C)CC1(C)C,0,GDB ChEMBL
87111,COC(C)=NC1CC[NH2+]CC1NC(=[NH2+])N(C)C,0,GDB ChEMBL
118180,[NH3+]CCCC#CCn1ncnn1,1,GDB ChEMBL
362996,C=CCC1(C(C)CC)C2CCCC21,1,GDB ChEMBL
179310,CCNC(=O)Nc1c([O-])noc1N,0,GDB ChEMBL
226235,Cc1ccc(C=O)c(CO)c1NC(N)=O,1,GDB ChEMBL
212557,O=C1NCCc2cc3c(c(F)c21)NCCC3,1,GDB ChEMBL
334657,CC12CCC[NH+]3CC4C(CC31)C4C2,0,GDB ChEMBL
300668,CCCCCCC(O)C1(CO)C[NH2+]C1,0,GDB ChEMBL
107058,CCC(=O)NCCOc1n[n-]c(C#N)n1,0,GDB ChEMBL
262241,C#CCCC1(C)C(C)C=CCCC1(C)O,0,GDB ChEMBL
275515,CCc1nc(C)c2nonc2c1CO,0,GDB ChEMBL
341857,CCN1C(C)C(C(=O)[O-])OS1(=O)=O,0,GDB ChEMBL
386456,CC1CC[NH2+]C1C(N)(C[NH3+])CCC(=O)[O-],0,GDB ChEMBL
262558,C#CC(O)CC1C=C(CC(C)CC)CC1,1,GDB ChEMBL
195218,CCC(CC)C(C)C1CC([NH3+])CC1C[NH3+],0,GDB ChEMBL
378237,CCCC1CC2CC(C(C)C)CC2(C)C1,0,GDB ChEMBL
277545,N=C1NCC(=O)N1C1C(O)C1NC(N)=[NH2+],0,GDB ChEMBL
210231,COC1C(O)CC2C=C(C)C(=O)C1N2,0,GDB ChEMBL
266264,CCC(C)C(C)N=C(OC)N1CCCOCC1,1,GDB ChEMBL
162891,COCCOS(=O)(=O)N1CC1C(N)=O,0,GDB ChEMBL
386157,O=C([O-])C(=O)N1CC1Cn1cncn1,0,GDB ChEMBL
34270,CC(=NCC(=O)[O-])Nc1cn(C)cc1O,0,GDB ChEMBL
308287,CC(C)c1ccc2c(c1)C1(C)C[NH2+]C2C(C)C1,0,GDB ChEMBL
298064,C[NH2+]C(C)C1CC(CO)C1O,0,GDB ChEMBL
247577,N#CC(N)C(O)C(CO)OC(N)=O,1,GDB ChEMBL
10619,CC[NH+]1CC(C)(CC)C=CC1C,0,GDB ChEMBL
77851,C#CCC(C(O)C#C)[NH+]1CCC1,0,GDB ChEMBL
173723,C#CCNC1=[NH+]CC(C(CC#N)OCCC)C1,0,GDB ChEMBL
63100,CC1=C2CCNc3cc(C)cc(c32)C1,0,GDB ChEMBL
1457,C#CC(CC(C[NH3+])C(F)(F)F)N(C=[NH2+])CC,0,GDB ChEMBL
101888,COCC12CC1C([NH3+])C(=O)N2,0,GDB ChEMBL
287003,CNC(=NCC(O)CO)C(N)(C#N)CN,0,GDB ChEMBL
99084,CCn1ncc(NC)c1C(C)(O)CC#N,1,GDB ChEMBL
378946,O=C1NC(CO)C(O)C2NC(=O)C2N1,0,GDB ChEMBL
300733,CCOC1CC[NH2+]C1(CNCC=O)C(=O)[O-],1,GDB ChEMBL
160834,O=C1[N-]S(=O)(=O)C=C([O-])N1CC(O)CO,0,GDB ChEMBL
362849,CCCC1(C#N)CC(O)C(C=O)CN1,1,GDB ChEMBL
161953,C=C1CC(N)C(=O)NC(=O)NC1=N,0,GDB ChEMBL
232057,CC1CC2[NH2+]C2(C)CC1CC1CCCCC1,0,GDB ChEMBL
64620,CC(C1CCCC(=O)[N-]S(=O)(=O)C1)[NH+](C)C,0,GDB ChEMBL
398850,Cc1csc(N)ncnc(C#N)n1,0,GDB ChEMBL
225408,CN1C(Cn2cncn2)C1C(O)C[NH3+],0,GDB ChEMBL
27948,C#CCC1(C)C(=O)CC2(CC2)CC1CC,0,GDB ChEMBL
280705,[NH3+]Cc1c(CO)ccc(=O)nc1C(C[NH3+])C[NH3+],0,GDB ChEMBL
226233,CC1CC2CC3(C=CCC3)CC2[NH+](C)C1,0,GDB ChEMBL
190077,CC(C)C(C(N)=[NH2+])C1CNC(N)=[NH+]1,0,GDB ChEMBL
182093,CC1(CO)C(N)C(=O)OC2C(C(N)=O)C21,0,GDB ChEMBL
322818,CCC(C[NH3+])(CC(C)O)OC,0,GDB ChEMBL
354772,C#CC1CCCCCc2cc(c(N)cc2Br)C1,0,GDB ChEMBL
124788,C[NH2+]C1(C(=O)[O-])C(O)(CO)C1(N)C(N)=O,0,GDB ChEMBL
310765,COCC1OC(=O)C2CC2C=C1C,1,GDB ChEMBL
280839,C#CC[NH2+]Cc1cc(NC)nn1C(C)C,0,GDB ChEMBL
38573,C#CC(C)(C)C1(O)CC(C)C[NH2+]CCC1CO,0,GDB ChEMBL
277825,[NH3+]C1CCC2C1OCC(O)C(=O)[N-]S2(=O)=O,0,GDB ChEMBL
173182,CN(C)C1C=CCOC1=O,1,GDB ChEMBL
296290,CS(=O)(=O)NC1C2NC3C(=O)NC(C3O)C21,0,GDB ChEMBL
228393,N#CCC[NH2+]CC(O)C(=O)[O-],1,GDB ChEMBL
392272,CC(C)N(CC#N)C1(C)C[NH2+]C1,0,GDB ChEMBL
197035,CC(C)NC(=O)NC1=[NH+]CCC(C)(C)N1,0,GDB ChEMBL
24261,COC1CCCC(C)C2C(O)C12O,0,GDB ChEMBL
25224,Cc1cc2c(cc1Cl)C1OCC3C1C23C,0,GDB ChEMBL
254956,CCC1CC2(CO1)CC(C)CC2[NH3+],0,GDB ChEMBL
93110,CCC1=CC=C(C)C=CC=C1C(N)C[NH2+]C,0,GDB ChEMBL
84203,CC1CC2Cc3c(ccc(Cl)c3Cl)C23CC13,0,GDB ChEMBL
7769,CC12NC(=O)C3[NH2+]C(CO)C1C32,0,GDB ChEMBL
58465,CC1=CC=Cc2cccnc2C12CC2,1,GDB ChEMBL
295887,COCCCc1nonc1N,1,GDB ChEMBL
256141,CC1CC(O)C2CCOCCC1C2,0,GDB ChEMBL
192556,C[NH2+]CC(C)CNc1n[nH]c(NCCC[NH3+])n1,0,GDB ChEMBL
155772,Cc1ccsc1CC1CC1(C)C(C)C,1,GDB ChEMBL
394272,CCC(C)C1CC(C)C(C)CC1CCCCO,0,GDB ChEMBL
73861,CC1(CC(N)C[NH3+])CCCOC(N)=[NH+]1,0,GDB ChEMBL
212579,C[NH2+]CCC(=O)C1COCC(=NO)CO1,0,GDB ChEMBL
394262,CCC(O)CC1(C)CNC(=[NH+]C)NCC1(C)C,0,GDB ChEMBL
259688,CCCC1(CC)CCC=C(C[NH2+]C)C1,0,GDB ChEMBL
170092,CC1(C)CCN(C(=O)CO)C(=N)C2CC[NH2+]C21,0,GDB ChEMBL
13798,[NH3+]CC1NCC(=O)NC1C[NH3+],0,GDB ChEMBL
336076,CNc1cncc(N)c1C(C)(C)C#N,1,GDB ChEMBL
117329,CCCCc1nccc(Br)c1CC(C)C,1,GDB ChEMBL
42259,COc1nc(O)c2c(C(N)=O)ncn2n1,0,GDB ChEMBL
71645,COc1cccc(O)c1I,1,GDB ChEMBL
193777,CC1[NH2+]CC(O)C([NH3+])CC(N)C1O,0,GDB ChEMBL
136527,[NH3+]CCCN1C(=O)C2=CCCN3C(C1=O)C23,0,GDB ChEMBL
153344,CNc1nccc(C)c1COC1CCC1=NO,1,GDB ChEMBL
350264,CCc1c(CC(C)C)ncc2ccc(C)n12,1,GDB ChEMBL
240032,[NH3+]Cc1cc(I)ccc1CO,1,GDB ChEMBL
393971,CCC1C(C)CCOC1CCO,1,GDB ChEMBL
300917,CCCc1cc(C)ccsccn1,0,GDB ChEMBL
377764,CC(C)[NH+]1CC=CC[NH+]=C(N)C1,0,GDB ChEMBL
208616,O=C([O-])CN1C2CC(O)C(O)(CO)C21,0,GDB ChEMBL
389103,C#CC1C([NH3+])CC(CCCCOCC)C1C[NH3+],0,GDB ChEMBL
218821,CC1CC2C(CC3C[NH2+]CC[NH+]2CC3(C)C)O1,0,GDB ChEMBL
72013,CCC(O)C1[NH2+]C(C)C2C(C)C=CC12,0,GDB ChEMBL
175577,N#CCCC([NH3+])C1C(O)C12CNC(=O)O2,0,GDB ChEMBL
51050,CCCC(C)CC1=CCCCC([NH2+]C)C1,0,GDB ChEMBL
277698,Cc1c(O)c(C(C)CNC=O)cn1C1CC1,1,GDB ChEMBL
155194,N#CC1NC(CO)C2(CC[NH3+])CC12,0,GDB ChEMBL
324328,C[NH+](C)C1CCC2OCCC21,0,GDB ChEMBL
383705,N=C(CCO)N(C(N)=O)C1=NCC(O)CN1,0,GDB ChEMBL
252689,C#CC1(O)CC(CCO)=CC1C(=O)CC,0,GDB ChEMBL
216198,CC1(CC(N)=[NH2+])NC1C(=O)[O-],0,GDB ChEMBL
371732,CC1[NH2+]CC(CO)=CCC1(C)O,0,GDB ChEMBL
387290,CCCCCC1CCC2(C)CC(C)C(C1)C2C,0,GDB ChEMBL
43973,O=C(C1=CC=CCC=C1CO)C1CCCC1,0,GDB ChEMBL
181562,C[NH2+]CC1CC(C)C2CC(C)(C1)C1CC21,0,GDB ChEMBL
385645,Cc1ncc(OC(C=O)S(N)(=O)=O)c(N)n1,0,GDB ChEMBL
63148,C#CC1(NC(=N)OCC2CC2)CCC1,1,GDB ChEMBL
3790,C#CCOC(=O)Nc1cc(N)[nH]c(=[NH2+])c1,0,GDB ChEMBL
40330,CCCC1[NH2+]C(CC)C(C#N)(CC#N)C1CC,0,GDB ChEMBL
124259,OCC(O)C[NH2+]CC(O)C(O)CO,0,GDB ChEMBL
338354,CC12C=CCC1CC1C(=O)NC(=O)C[NH2+]C12,0,GDB ChEMBL
230730,C#CCC1NC(=O)C2OCC(OCC)CC12,0,GDB ChEMBL
386668,C#CC1(CCO)NC(=N)C1NC(=O)CC[NH3+],0,GDB ChEMBL
221109,C#CC[NH+]1CCC1CCC,0,GDB ChEMBL
118668,NC1=[NH+]CCC(C2CC2)O1,0,GDB ChEMBL
37105,C#CC1OCCC1(C)OC,1,GDB ChEMBL
174693,CC(=O)OCC(O)C1CC1OC(N)=[NH2+],0,GDB ChEMBL
210955,CCCC(C)C1CC2C[NH2+]C(C)C1(C)C(C)C2,0,GDB ChEMBL
296414,CNC(=O)OC(C=O)C[NH+]=C(N)NC,0,GDB ChEMBL
324085,Cc1ncsc1CC=O,1,GDB ChEMBL
192573,COC(N)=Nc1cncnc1C(=O)C1CC1,0,GDB ChEMBL
365675,O=C1NCC2C3C(OC(=O)N12)C3(O)CO,0,GDB ChEMBL
81550,Cc1cc(C)n2nc3c(O)ccc(O)c3c2n1,1,GDB ChEMBL
366937,COC(=O)C1C2C(O)C(O)CS(=O)(=O)N12,0,GDB ChEMBL
45042,Cc1ccc(F)c2c1C(=N)OCCN2,1,GDB ChEMBL
190127,CC(C#N)C1NC(=O)C([NH3+])C2OC12,0,GDB ChEMBL
18877,CCCC1(C2CC2)CC2CCC1C2,1,GDB ChEMBL
338393,CCC(OC)c1ccno1,1,GDB ChEMBL
214007,C#CCC1CC(C)C(C)(CCC)CCCC1C,0,GDB ChEMBL
380377,CCCCC1(C)CC=C(C)CC1,1,GDB ChEMBL
34277,CCC1CC=C(C)C1(O)CO,1,GDB ChEMBL
201707,O=CNC1CC2C(C1O)N2C(=O)CO,0,GDB ChEMBL
147598,COC(=N)NC(N)=O,1,GDB ChEMBL
365683,C#CCCC1CC(C)C(CC)C2(CO2)C1,0,GDB ChEMBL
94852,CC1CCC=CC=CC=CCC(C)(C)C1,0,GDB ChEMBL
125619,CCC(C)C(C)C(C)C(C)CCCCCOC,1,GDB ChEMBL
171319,Cn1cnc(N2CC(O)C2c2ccco2)n1,1,GDB ChEMBL
366886,C#CCCCC1CC=CC(C(C)C)C=CC1,0,GDB ChEMBL
321378,CC1=CCC(=O)NC(C)C12CC2,0,GDB ChEMBL
115177,N=C1COCCCNC(=O)OCC([NH3+])C(=O)N1,1,GDB ChEMBL
190329,CC1C2n3c(cc4c3CC[NH+](C)C4)CC12C,0,GDB ChEMBL
372655,C#CC([NH3+])c1c(C)cc(I)c2c1CC[NH+](C)C2,0,GDB ChEMBL
358839,CC(C[NH3+])C1CC(C([NH3+])C(N)=O)O1,0,GDB ChEMBL
271493,CCC(C)(C)C(=O)C1=CCCCC1=O,1,GDB ChEMBL
345508,CCC1C(=O)NCC(C#N)C1C([NH3+])C(N)C[NH3+],0,GDB ChEMBL
140137,C[NH+]1CCCC2=C(CCC2)CC1,0,GDB ChEMBL
203157,O=C1C#Cc2ccc(cc2)C=CCCCC1,1,GDB ChEMBL
305601,CC(O)CNc1cc(CCO)cc(I)n1,1,GDB ChEMBL
215388,CCc1ocnc1C(O)C(=O)[O-],0,GDB ChEMBL
276083,CCC1CC(=O)[N-]S(=O)(=O)C(C)CO1,0,GDB ChEMBL
152557,NCC([NH+]=C(N)CCC(=O)[O-])c1cnncn1,0,GDB ChEMBL
357629,CC1CC(C2(C)OC2C)CC(C)[NH+](C)C1,0,GDB ChEMBL
70842,NC(=O)C1CC(O)C(O)CC2CCCC1C2[NH3+],0,GDB ChEMBL
29475,C#CC1([NH2+]C2CC2)CCCC1,0,GDB ChEMBL
170135,Cc1ncc(N)c(C#N)n1,1,GDB ChEMBL
150505,CCc1cccc(C(CC[NH3+])C(C)C)c1,0,GDB ChEMBL
197059,CCC1=CC([NH3+])C(O)C(CCCO)C1,0,GDB ChEMBL
107836,C#CC(C)C1C([NH2+]C)C=C(C)CC1(C)CO,0,GDB ChEMBL
296589,CCC1(C)CC(C)(C)CCc2ccc(Cl)cc21,1,GDB ChEMBL
103884,C#Cc1nc(C#N)c(O)c(CC#N)c1NC,0,GDB ChEMBL
84468,C#CCCC(C(C)CC)C1CC1CCCC,0,GDB ChEMBL
246405,C#CC1CC2C3C(C)CC2(C)C[NH+]13,0,GDB ChEMBL
151755,CC1(CO)C2OCC1(C(N)=O)CO2,0,GDB ChEMBL
259155,CC1C([NH3+])CCOC(=O)C1C(O)S(N)(=O)=O,0,GDB ChEMBL
338283,C#Cc1cc(CCC(C)C)ccc1Br,1,GDB ChEMBL
280678,CC1NC(=O)C(O)C1C(C#N)C=O,0,GDB ChEMBL
146018,CC(O)C1C(CCO)CC=CC1(C)C(C)C,0,GDB ChEMBL
1455,CC[NH+]1CCNC2(C)C(C)C(CO)C(C)CC12,0,GDB ChEMBL
58996,N#CCCNC1C(=O)NC1C=O,1,GDB ChEMBL
202501,C=CCC(CC)OCCC=CC#N,1,GDB ChEMBL
217387,CCC(CO)Nc1csc(N)c1[N+](=O)[O-],1,GDB ChEMBL
203891,CC12c3ccc(Cl)cc3CC3CCC1C32C,0,GDB ChEMBL
190058,CC1CC2(CO2)C(O)C1[NH3+],0,GDB ChEMBL
28215,CCCCC1(C(O)CC)CC1C1CC1,0,GDB ChEMBL
161819,CCC(O)C(C)(C(=O)[O-])C(O)S(N)(=O)=O,0,GDB ChEMBL
296583,CC(C)(C)C1Cc2cc(I)c(I)cc2C1,1,GDB ChEMBL
258713,OC1CCCCC2CCCC[NH+]2CCCOC1,0,GDB ChEMBL
371675,[NH3+]CC1CCC[NH2+]C1CO,0,GDB ChEMBL
375843,C[NH2+]CCC1N=C(N)NC(=O)CC(OC)C1=O,0,GDB ChEMBL
218298,N#CC1(C=O)CCCC1OC(N)=O,1,GDB ChEMBL
77342,CC1OC(=O)NC(CO)CC1C([NH3+])CC(N)=[NH2+],0,GDB ChEMBL
113544,CC1C(=O)NC(=N)CC2CC1C(O)C2[NH3+],0,GDB ChEMBL
218779,CCC1CC2CC[NH+](C)C1C2C,0,GDB ChEMBL
34712,Cc1cccc2c1c(-c1cc[nH]c1)cn2C,1,GDB ChEMBL
87548,C[NH2+]C1C(CO)C(O)C(=O)NC(C[NH3+])C1(C)N,0,GDB ChEMBL
225461,N=C1NC(=O)C(CC(N)=O)OCCC([NH3+])C1O,0,GDB ChEMBL
113622,CC12CC3C4CC(O)C1CCC2C43,0,GDB ChEMBL
97071,CC1(C)CCC(O)c2cc(O)c(F)c(F)c2C1,1,GDB ChEMBL
174228,CC(N)C(CNS(C)(=O)=O)[NH+]=C(N)N,0,GDB ChEMBL
108686,C#CCC1CCC=CCC=C1C(C)C,0,GDB ChEMBL
112070,CC1C(C#N)N1C(C[NH3+])C(O)CO,0,GDB ChEMBL
331489,CCCC1CC(C)(C(C)C)C2(C)CCCCC12,0,GDB ChEMBL
215889,COC1C(C)C[NH+]=C(N)C(C[NH3+])C1O,0,GDB ChEMBL
331723,COC1CC(CC(C)[NH3+])C2CC2C1C,0,GDB ChEMBL
107796,C[NH2+]CCC1CC2COC(CCC2C)CO1,0,GDB ChEMBL
2147,Cc1c(C(N)=O)c(=O)cc[nH]c1=O,0,GDB ChEMBL
333898,CCC(C)CC1CCC(CC)C(O)C1C,1,GDB ChEMBL
33839,CCNC(=O)Oc1nc(C)cs1,1,GDB ChEMBL
319824,C[NH2+]C1CC[NH2+]CCC(Oc2coc(C)n2)C1,0,GDB ChEMBL
160355,COC1CC2C=C(C)CC2(C)C1,1,GDB ChEMBL
389076,C#CC1C(C(O)C[NH+]=C(N)N)N1C(C)=[NH2+],0,GDB ChEMBL
274015,CCCC1C=CCCC=CCC(O)C(C)=C1,1,GDB ChEMBL
250646,C#CCNC1(C#N)C(=O)CC(C)CC1=O,1,GDB ChEMBL
198812,CC[NH2+]CC(CNCCS(N)(=O)=O)=N[O-],0,GDB ChEMBL
97153,CCC=C(C[NH2+]CC)C([NH3+])CCC,0,GDB ChEMBL
354034,O=CNC1C(=O)CS(=O)(=O)NCC1O,0,GDB ChEMBL
109576,O=CN1CC2CC1C1CC2CO1,0,GDB ChEMBL
114406,C#CC1=CC(c2ccc(Br)cc2)C2CCC12,0,GDB ChEMBL
245829,CCC(O)C1NC1(C)CC1CC(C)C[NH+]1C,0,GDB ChEMBL
391282,CCC#CC1CC1c1ccc(F)c(F)c1F,1,GDB ChEMBL
78665,C#CC1C[NH+]2CC1C(O)C(C)CC2C,0,GDB ChEMBL
222805,CC1C(O)CC(O)C(CO)C1C,0,GDB ChEMBL
177879,CCC(C)(CCC(F)(F)F)C(C)(CC)[NH2+]C,0,GDB ChEMBL
194233,CC([NH3+])C1=CC(C[NH3+])CC(O)C1,0,GDB ChEMBL
148499,CCC1(CC)C[NH+]2CCC([NH3+])(CNC(=O)C2)C1,0,GDB ChEMBL
274872,CC1CN1C1CC1C(=O)[O-],0,GDB ChEMBL
351136,C[NH2+]CC1NC(=O)C2C(=NO)COC1C2O,0,GDB ChEMBL
127249,COCC(CO)(CO)C(C)O,1,GDB ChEMBL
3832,CC1(C)COCC2C[NH+](C2)C1,1,GDB ChEMBL
147917,Cn1ncc2c1C(O)CCOCCC2,1,GDB ChEMBL
273408,CC1=CC[NH+]2CCOC(C)(C2)C1C,0,GDB ChEMBL
40057,CC([NH3+])C#CC1C(C)CC(=O)N1C1CCC1,0,GDB ChEMBL
22548,CCC1CC2C([NH3+])C1C[NH+]2C,0,GDB ChEMBL
29676,C#Cc1c(C)c(Cl)c2c(c1CC)C1CN2C1,1,GDB ChEMBL
127250,CC(CO)C1(O)C(CC[NH3+])OC1C(N)=O,0,GDB ChEMBL
94716,Cc1cc(C)c(Cl)c(C2CC2C(F)(F)F)c1,1,GDB ChEMBL
266237,CCOC(=N)NC(=O)C1CC(C#N)OC(N)=N1,0,GDB ChEMBL
338952,CC(C)CCCC(=O)C=O,1,GDB ChEMBL
201177,CC(O)C1C#CCCC=C(CC[NH3+])CCC1,0,GDB ChEMBL
50888,C#Cc1ccc(CC)c2cc(Cl)ccc12,1,GDB ChEMBL
42253,CC1(N)C(CC(=O)[O-])OCC(O)C1[NH3+],0,GDB ChEMBL
318507,Cc1scc(NCCCC(C)[NH3+])c1C(C)C[NH3+],0,GDB ChEMBL
226226,CCCc1nc(C)cc(I)c1C,1,GDB ChEMBL
155105,C[NH2+]CCNC(=O)C(O)CO,0,GDB ChEMBL
387277,CC1C2CC=CC1[NH2+]C(C)(C)CCCC2,0,GDB ChEMBL
253617,CC1(CC(O)C(=O)[O-])CCC(N)=[NH+]1,0,GDB ChEMBL
147399,COCC1(C)C=CCC2C[NH+](C2)C1,0,GDB ChEMBL
277965,CS(=O)(=O)Cc1cc(CO)occncn1,0,GDB ChEMBL
235219,CNC(=O)C(C)N1CC1C,1,GDB ChEMBL
318504,CN1CC2OC(=N)C(O2)C(=O)CCCC1=O,0,GDB ChEMBL
223306,C#CC1(O)C=C(C)CCC1CC[NH2+]C,0,GDB ChEMBL
172324,O=C1CC(O)CC(=O)N1C1CC1,1,GDB ChEMBL
203417,CN1C(=O)C([NH3+])C2CC1(C)CC2(C)C#N,0,GDB ChEMBL
222138,CNc1ncn(C2CCOC2)c(=O)n1,1,GDB ChEMBL
383314,CCC1(CC[NH2+]C)C=CC2CCC1(C)CC2,0,GDB ChEMBL
156068,C#Cc1cc(S(=O)(=O)NC)c([O-])cn1,0,GDB ChEMBL
39754,NC1=NC(C=O)C(=O)N1CC1(O)C[NH2+]C1,0,GDB ChEMBL
362235,CCC1(O)CCNC1(C)C#N,1,GDB ChEMBL
34972,CNC(=O)C1C(C)C2CC2C1C,0,GDB ChEMBL
41070,COCC1CCC(=O)NC1C(=O)C(C)C,0,GDB ChEMBL
51382,O=C1CC2COCC[NH2+]CC1O2,0,GDB ChEMBL
304402,CC[NH2+]Cc1cc(C)nc(CO)c(=N)c1NC,0,GDB ChEMBL
51853,CC1CCC2CCC(C1)C([NH2+]CC1CC1)C2,0,GDB ChEMBL
28247,[NH3+]C1COC(CCS(=O)(=O)[O-])C1,0,GDB ChEMBL
34316,CC#CCC1(CC(C)(C)C(C)C)CCCC1,1,GDB ChEMBL
147883,CC(C)(C)CCC1CC1O,1,GDB ChEMBL
355395,CCNC(=O)NC1=[NH+]CCN1,0,GDB ChEMBL
25241,CCC1CC2CC=CCCCCCC3C1C23,0,GDB ChEMBL
388231,CC1(C)Cc2ccc3c(c2CO1)CCC[NH2+]C3,0,GDB ChEMBL
144562,Cc1cc(I)c2c(c1)CCC(C1CC1)C2,1,GDB ChEMBL
358842,CC(=O)C1C2OC2C(=O)N1CC(N)=O,1,GDB ChEMBL
358856,CC1c2ccccc2C2CC2(C)C1C,0,GDB ChEMBL
108725,COC(=O)C(C=O)CC(=O)CN1CC1,1,GDB ChEMBL
370323,C[NH2+]CC12OC1CCC(C)C2[NH3+],0,GDB ChEMBL
10578,C[NH2+]CCCNc1cn[nH]c1,0,GDB ChEMBL
191531,CS(=O)(=O)NCCC(O)C(N)=[NH2+],0,GDB ChEMBL
58981,CCCC1CC2[NH+]=CNC2C[NH2+]CCCC1=O,0,GDB ChEMBL
345819,Cn1cc(CC(C#N)C=O)cn1,1,GDB ChEMBL
366583,CCOc1[nH]nc(NC)c1OC,1,GDB ChEMBL
382533,CC12CC(CNC1=O)C(O)C2[NH3+],0,GDB ChEMBL
290546,C#Cc1c(C)ccc2c1C1CC1(C)C2,1,GDB ChEMBL
45091,CC1CC(C)OCC[NH+](C)C1,0,GDB ChEMBL
347889,CC12CC(C(N)=O)CC1C(C(N)=[NH2+])C(=O)C2O,0,GDB ChEMBL
8776,CN(C(N)=O)C1CCN=COC1=O,1,GDB ChEMBL
391763,COC1CCC2C(CO)C1N2S(C)(=O)=O,0,GDB ChEMBL
191739,O=C([O-])CNC(c1cnn[nH]1)C1CC(O)C[NH2+]1,0,GDB ChEMBL
190781,CCC(C)C1CC(C[NH3+])N2CC12,0,GDB ChEMBL
18682,N#CC1NC(C(=O)[O-])=NC1CC(=O)[O-],0,GDB ChEMBL
271591,CCC1[NH2+]C(C(=O)[O-])C1(N)COC(N)=O,0,GDB ChEMBL
33890,C=Cc1cccc2c1C=C(CC)C2,1,GDB ChEMBL
177074,Cc1c(C(N)=[NH2+])ccn1CCN1CCC1=O,0,GDB ChEMBL
184263,Cc1c(F)ccc(F)c1CC(C)C,1,GDB ChEMBL
236637,CCC1(C)CC2CC(CCOC)C1([NH3+])C2,0,GDB ChEMBL
267328,CC1CC(O)CCCCC([NH3+])CC1O,0,GDB ChEMBL
163886,CN(CC#N)CC(=O)Oc1ccnc(=O)cc1,0,GDB ChEMBL
112417,CCC1C[NH+](C2CC3CCC2C3)C2CC1C2,0,GDB ChEMBL
156069,CC1(C)CCC2(CC[NH+]3CC3C2)CC1,0,GDB ChEMBL
70126,COC1C2COC(C(CO)O2)C1C#N,0,GDB ChEMBL
292274,NC(=[NH2+])NC1=CC(=O)OCC(O)CC1N,0,GDB ChEMBL
387040,CC1CN2CC(CC(CO)C(O)(C=O)C2)O1,0,GDB ChEMBL
29751,CCCC1C(=O)OC1CC=O,1,GDB ChEMBL
279132,C[NH+](C)C1CC1C(=O)C(C)(C)C,1,GDB ChEMBL
319316,CC1CC(CN)[NH2+]C1(CO)CO,0,GDB ChEMBL
84886,CC12CC([NH3+])C3CC1CN3C2,0,GDB ChEMBL
207415,C[NH2+]C1CC(C#N)(C(N)=O)N2CCCC2C1=O,0,GDB ChEMBL
98879,NS(=O)(=O)OCC(CCO)C1NC1C=O,0,GDB ChEMBL
333631,COC(C)CCCC(O)C(N)=[NH2+],1,GDB ChEMBL
50866,CC1C(CO)C1C(O)C[NH3+],0,GDB ChEMBL
203745,CCOC(C[NH+]=C(N)N)COC,0,GDB ChEMBL
171891,[NH3+]CCC1C(O)C1C(=O)[O-],0,GDB ChEMBL
48055,CC1CC#CCC(=O)NCC[NH2+]C1,0,GDB ChEMBL
840,CNc1cc2c(c3c1OCC3)C(C=O)CC2C,1,GDB ChEMBL
333908,C#Cc1ccn(CC(C)(C#N)C(C)[NH+](C)C)c1,0,GDB ChEMBL
186054,CC1C(O)C2CCC(O)C1[NH+]2C,0,GDB ChEMBL
306340,N#CC1[N-]C(=O)CC(C2CO2)C1O,0,GDB ChEMBL
225046,N=C(NC(=O)CN)Nc1cn[nH]c1[O-],0,GDB ChEMBL
122822,CCCC1C=CC(CC(C)[NH2+]C)CC1C,0,GDB ChEMBL
310979,C#CC(C)(C#CC(C)C)C(CC[NH3+])[NH+](C)C,0,GDB ChEMBL
280326,COCC1C[NH2+]C2(CC2)C(C=O)N1,0,GDB ChEMBL
41114,O=S1(=O)C=CC(C[NH2+]CCO)N1,0,GDB ChEMBL
121088,CCC1(C(C)C)CC(C)C(C)C([NH3+])CC1O,0,GDB ChEMBL
273804,N#CC12NC1C(C(=O)[O-])[N-]C(=O)C2O,0,GDB ChEMBL
223496,CC(C)CC(NC=O)c1cc2cnccc2s1,1,GDB ChEMBL
323347,CNC1(C[NH3+])CCOCC(O)CC1[NH3+],0,GDB ChEMBL
300948,C[NH2+]C(C)COC(=O)C(N)(C(N)=O)C(=O)[O-],0,GDB ChEMBL
271341,C[NH2+]C1CCN2C(C)C2C1CO,0,GDB ChEMBL
227518,C#CCC(CC)CC1CC2CCCC1CC2,0,GDB ChEMBL
126938,CCCCCC[NH+](CC)CC,0,GDB ChEMBL
109569,CC(=O)C1C(=O)N(C(=O)C(=O)[O-])C(=O)C1(C)C,0,GDB ChEMBL
28173,CCC(C#N)C1CC1(C)[NH+](C)C,0,GDB ChEMBL
262296,CC(C)C1C2=CC(=O)C=CCCN1C(=O)C2,1,GDB ChEMBL
76489,COCCCC(C)C1CC1,1,GDB ChEMBL
35498,CN(C)c1ccc(N)cc1,1,GDB ChEMBL
369347,N=C(NC(=O)OCCO)C([NH3+])C1(O)CC1,0,GDB ChEMBL
334484,C[NH+]1CC(C)(O)CC1CO,1,GDB ChEMBL
46901,Cc1cn(C)c(=O)c(Cl)n1,1,GDB ChEMBL
372502,NC(=O)CCNc1c(N)n[nH]c1C(=O)[O-],0,GDB ChEMBL
304261,NC(=O)C1CC(O)C2C(O)CN3C1C23,0,GDB ChEMBL
288523,CC12CC(C[NH2+]1)CC(=O)C1(O)CCCOCC21,0,GDB ChEMBL
359160,CCC12OC(CC1=O)C(OC)C(O)C2C,0,GDB ChEMBL
119938,CC([NH3+])(C(O)C([NH3+])C(=O)[O-])C1NC(=O)CC1O,0,GDB ChEMBL
203422,CC(O)C1CC2CCN(c3cccn3C)C1C2,0,GDB ChEMBL
208544,CCCC1C=CC=C(C)C=CC(C)C1,0,GDB ChEMBL
142509,CNC(C[NH2+]C)CC([NH3+])(CO)CN=CNC=O,0,GDB ChEMBL
116586,CC#CC1(CCCCC[NH2+]CC)CN1,0,GDB ChEMBL
45970,C#Cc1cc(F)c(C[NH3+])c(N(C)C)c1O,0,GDB ChEMBL
259563,Cc1ccc(C2(C)CC3(C)CCC2C3)cc1F,1,GDB ChEMBL
318546,CC#CCNCc1coc(C(C)C)n1,1,GDB ChEMBL
216138,Cc1cc(N)c(F)cc1C1=CCC(C)C1,1,GDB ChEMBL
206941,CC1CC(=NO)C(=O)N1C(CC#N)C(N)=[NH2+],0,GDB ChEMBL
324319,CC#CC(CC)C1C=CCCCC1(C)C,0,GDB ChEMBL
380268,COC1C(C#N)OC(CO)C(O)C1C,0,GDB ChEMBL
122938,CN(CCC(O)S(N)(=O)=O)C1COC1=O,0,GDB ChEMBL
371690,COCC(=O)N(C)C(C)c1c([O-])coc1OC,0,GDB ChEMBL
144507,COC1C([NH3+])C(O)C2([NH2+]CCO)CC12,0,GDB ChEMBL
238571,C#CC1[NH2+]CC(C)CC1CC,0,GDB ChEMBL
178042,C=C(CC=CCC)CC(C)COC,1,GDB ChEMBL
173951,C[NH2+]Cc1cc(I)ccc1I,0,GDB ChEMBL
119878,C#Cc1cccc2c(N)c(Br)ccc12,1,GDB ChEMBL
9708,CC(=O)NC1C(C)CNS(=O)(=O)C1N,0,GDB ChEMBL
305245,Cc1ccc2c(c1)C1CCC(C=O)C2(C)C1,1,GDB ChEMBL
355409,CCC1(C)C2CC1C(C(=O)OC)C2O,0,GDB ChEMBL
173124,CCC1COC(C)C(N)(C#N)C1,0,GDB ChEMBL
217062,COC(=O)C1NC2C(O)COC1(C)C2CCO,0,GDB ChEMBL
207948,C#CC(CCCOC)C1(C)CCCCC1CC,0,GDB ChEMBL
273798,CC(=O)C1(C(O)C(=O)[O-])CO1,0,GDB ChEMBL
310803,CC(C)(O)C(=O)OCC(C#N)OCCO,1,GDB ChEMBL
354069,CC1(CC#N)CC2OC1C(=O)N(CCO)C2=N,0,GDB ChEMBL
289945,N#CC(=N)NCCC[NH3+],1,GDB ChEMBL
111535,CC(C#N)C(C[NH3+])NCC(OC(N)=O)C(N)=O,0,GDB ChEMBL
19383,C#CC1=CC2CCCC(C1)C2(C)CC,0,GDB ChEMBL
304638,CCC1CC2CCC(OC)(C1)C(C)C2,0,GDB ChEMBL
36209,NS(=O)(=O)CC(=O)OCCC[NH3+],1,GDB ChEMBL
262245,N=C1OC(C2COC2)CN1CC(N)=O,1,GDB ChEMBL
263550,CCN1C(=O)CCC1(CC=O)CNC(N)=O,0,GDB ChEMBL
25118,C=C1NC(=O)C2[NH2+]C(CO)C(O)C12,0,GDB ChEMBL
203478,[NH3+]Cc1ccnc(CO)ccoc1,0,GDB ChEMBL
26008,CC#Cc1ccc2c(c1C1CC1)CC=CC2,1,GDB ChEMBL
334398,CC1CCC2(CC2)C2[NH2+]CC2C1,0,GDB ChEMBL
199450,C[NH2+]CCC12CCC(CC1)C(C)C[NH2+]2,0,GDB ChEMBL
385375,C=C(C[NH2+]C)N(C(N)=O)C1CCC1,0,GDB ChEMBL
97183,CCC(CC(C)(C)C)c1c(Br)cc(N)cc1Br,1,GDB ChEMBL
5358,CCC1[NH2+]C(CN)(C(N)CO)CC1O,0,GDB ChEMBL
218842,CC(C)C(C)CC1(C)C2CCC1C(O)C2,0,GDB ChEMBL
259526,CCC1[NH2+]C2CC1(CO)C=CCC2C,0,GDB ChEMBL
46913,CCOC1(C[NH3+])C(N)C1C#N,0,GDB ChEMBL
172740,c1cc2c(cc3ncsc3c[nH]1)CCCC2,0,GDB ChEMBL
311327,CCC1([NH2+]C)CC(C)N(C)C1,0,GDB ChEMBL
127489,CCCC(CC)C(C)C1CC1C(C)C,0,GDB ChEMBL
187204,CCC1COC2(C1)OC(=O)NC(N)=NC2CO,0,GDB ChEMBL
336606,CCc1cc(Br)c(CC)c2c1C(C)C1CC21,0,GDB ChEMBL
230215,C[NH+]=C(N)OC1CC1OC(=O)CC([NH3+])CO,0,GDB ChEMBL
118142,CCC1(C(=O)[O-])CC1[NH+](C)C,1,GDB ChEMBL
44364,C#Cc1c(CNCC(F)(F)F)cc(C)n1C,1,GDB ChEMBL
159902,O=C1NC2=NCCC(C2)OCC1O,0,GDB ChEMBL
77328,CC(Cc1c[nH]c(C#N)n1)C(=O)[O-],1,GDB ChEMBL
252888,CCCC(C[NH3+])c1ccon1,0,GDB ChEMBL
337174,C#CC1[NH2+]CC1C([NH3+])CCC,0,GDB ChEMBL
174843,CC1OC2(C(N)=O)C(O)CC1[NH2+]CCC2C=O,0,GDB ChEMBL
318370,OCC1CCC(CO)[NH2+]1,1,GDB ChEMBL
398920,C#CCCCC(C)(CC#N)C1CC[NH2+]1,0,GDB ChEMBL
332457,CC#Cc1cc(CCCC)c(Br)cc1Br,1,GDB ChEMBL
300695,CC1CC([NH3+])C2(NC(=O)O1)C(O)C2(C)C[NH3+],0,GDB ChEMBL
383941,CC(C)C1(O)C2Cc3nccc(Cl)c3C21,0,GDB ChEMBL
268159,CC1(C(N)=O)CC1c1ccccn1,1,GDB ChEMBL
124107,Cc1cccc2c1CC(C)(C[NH3+])C(C)C2,0,GDB ChEMBL
340128,CNC(=[NH2+])C(OCC(C)(C)C=O)C(=O)N(C)C,0,GDB ChEMBL
370258,Cc1nc(I)c(CCC(C)C)cc1C(C)(C)O,1,GDB ChEMBL
309816,CC(C)C(CO)Nc1nc(F)cc(=O)[nH]1,1,GDB ChEMBL
41309,C[NH+]1CCC(c2snnc2C(=O)[O-])C1,0,GDB ChEMBL
384296,CC1[NH2+]CCC(C(N)=O)NC2COC21,0,GDB ChEMBL
70798,CCOC1(CC)CC(CC)C2(C)CC1CC2C,0,GDB ChEMBL
259573,CCCC1CCCC1(C)C1(C)CC2CC2C1,0,GDB ChEMBL
353960,Cc1cn(C(=O)N(C)CC(=O)[O-])nn1,1,GDB ChEMBL
39778,CC1=C(C(=O)[O-])CCNC1=[NH2+],0,GDB ChEMBL
5264,O=C([O-])C(O)C1(O)COC2CC[NH2+]CC21,0,GDB ChEMBL
184117,NC(=[NH2+])C1OCCNC(=[NH2+])OC1C(=O)[O-],0,GDB ChEMBL
124526,[NH3+]CC12OCC(C3NC(=O)CC31)C2CCO,0,GDB ChEMBL
191416,O=C1CNCCOC(C(=O)N2CC2)C1,1,GDB ChEMBL
40358,CC(O)CC1C(O)C2(C(N)=O)CNC(=O)N12,0,GDB ChEMBL
280446,C=C1CC(C)(CO)CC1=CC1CC1,1,GDB ChEMBL
340137,CCCCC1([NH3+])C(N)C1CC,0,GDB ChEMBL
6052,O=C(C1[NH2+]C2COCC(O)C21)N1CC=CC1,0,GDB ChEMBL
2139,COCCC1(OC(C)=O)C[NH2+]C2C(C)C21,0,GDB ChEMBL
257515,CC1=CC2CCOC1(C)CC[NH2+]CC[NH+]2C,0,GDB ChEMBL
292531,CC(C)(C)C1(C)C[NH+]2CCNC(=O)C1(C#N)C2,0,GDB ChEMBL
375672,C[NH2+]C(C(N)=O)C(O)C(C)S(N)(=O)=O,0,GDB ChEMBL
337976,CCN(C)C(=[NH2+])NC(=O)C(=N[O-])C(=O)C#N,0,GDB ChEMBL
189826,CCc1cnc(=N)cc(C#N)c1NC=O,0,GDB ChEMBL
191397,C[NH2+]CC1CS(=O)(=O)NC=C1CC(C)[NH3+],0,GDB ChEMBL
132527,N#CCc1ccc(C2([NH3+])CCNC2=O)s1,0,GDB ChEMBL
136445,Cc1c(O)c(Cl)c(Cl)c(C)c1N1CC1,1,GDB ChEMBL
305110,C#CC1CCC(CC(CC)(CC)CC)CC1,1,GDB ChEMBL
98601,C[NH2+]CC1(CC#N)N(C(=O)C[NH3+])CC1(C)N,0,GDB ChEMBL
21731,CCC#CC1C(=O)N2CC2CC(CO)N1C,0,GDB ChEMBL
28358,C#CC(O)CC1CC2C(C(=O)[O-])N2C1=O,0,GDB ChEMBL
386544,CC([NH3+])CN(C=N)C(=O)NC(=N)N,0,GDB ChEMBL
352618,CCCC12CC(C3CC1C3(C)C)[NH+](C)C2,0,GDB ChEMBL
216141,COCC1C[NH2+]C2CCCC12,1,GDB ChEMBL
55491,O=C1NC(=O)N2c3c(O)nc(O)nc3CC12,0,GDB ChEMBL
111916,COCCCC1CC(CC#N)c2cn(C)nc21,0,GDB ChEMBL
170257,CCOC1C(O)C1OC(=N)NC(N)=[NH2+],0,GDB ChEMBL
120847,C#CCCN(C=[NH+]CC(C)[NH3+])CCC,0,GDB ChEMBL
258249,[NH3+]C(C(O)C1C(=O)NCC1O)C(O)(CO)CO,0,GDB ChEMBL
361155,CN1CC2([NH3+])CC(C#N)C2(C)COC1=O,0,GDB ChEMBL
307930,Fc1cccc(C2[NH2+]CC=CC3CC32)c1,0,GDB ChEMBL
321844,CC(O)C[NH2+]C(C)C1C2CCOC21C,0,GDB ChEMBL
39971,C#CCC1CCCC2(C)CC=C(C)CC12,0,GDB ChEMBL
286338,COCC1CCC2C([NH2+]C(C)C)C2C(C)C1,0,GDB ChEMBL
216596,C#CC1c2cc(F)cc(F)c2C([NH3+])C1C,0,GDB ChEMBL
80294,C[NH+]=C1NC(CO)CC1C,0,GDB ChEMBL
297243,CC1CC2CS(=O)(=O)NCC1(CO)O2,0,GDB ChEMBL
301510,CCC1C(=O)C2C(O)C1C[NH+]1CCC=CC21,0,GDB ChEMBL
354723,C#CC(O)(CC(O)CC)C(=O)NCC(=O)[O-],1,GDB ChEMBL
93746,CCc1c(Cl)ncc(C)c1CCc1ccsc1,1,GDB ChEMBL
195562,CNc1cc(=O)[nH]c(=N)c(C)c1[N+](=O)[O-],0,GDB ChEMBL
16026,C[NH2+]CC1[NH2+]CCC12C=CCC2C,0,GDB ChEMBL
299217,C#CC(OC)C1C(C)=CC2CC(=O)C1(C)C2,0,GDB ChEMBL
185329,CC(C)([NH3+])C1CCC=CCC[NH2+]CCNC1,0,GDB ChEMBL
312559,CC(=O)N(C=O)C1CNCCS(=O)(=O)C1,1,GDB ChEMBL
389360,C#CC(C#C)[NH+]1C(C)CC2CC21,0,GDB ChEMBL
6150,COc1[n-]nnc1OCC(=O)NC(=O)C(C)N,0,GDB ChEMBL
222156,N#CC1CNC(=O)C(C(CCO)=N[O-])N1,0,GDB ChEMBL
259386,CC1OC2COC(C(=O)[O-])(C1O)C2O,0,GDB ChEMBL
165249,CC1([NH3+])C2CCC([NH3+])C1C(O)C(=O)NC2,0,GDB ChEMBL
83114,COC(=O)C1C(C)[NH2+]CC(O)C1O,0,GDB ChEMBL
380254,COC1(C)CCCOCC1,1,GDB ChEMBL
325897,O=C(c1c(Cl)cc2nscc2c1Cl)C1CC1,1,GDB ChEMBL
230390,CCC(CC)(CC)C(C)(C)O,1,GDB ChEMBL
33144,CCCN(C=O)CC1(O)CC(=[NH2+])N(CC)C1,0,GDB ChEMBL
277647,CCC(=O)C1=CCC(C)C1,1,GDB ChEMBL
99552,CCC1(CC)CC(C)C2C(CCCC2(C)C)C1,0,GDB ChEMBL
61252,CCC1C2CC1C[NH+](C1CC1)C2,0,GDB ChEMBL
367754,O=C1NCCN=C(CNCCO)N1,0,GDB ChEMBL
81774,[NH3+]C1CC=C2COCC(CC[NH2+]C1)C2,0,GDB ChEMBL
351387,Cc1cc2c(C)c(CC(C)C)ccc2nc1Cl,1,GDB ChEMBL
398893,CCC1(C(N)C(N)=O)[NH2+]C2COCCC1(O)C2,0,GDB ChEMBL
156500,CCC1C2CC[NH+](CCN(C)C)C12,0,GDB ChEMBL
7434,C#CCNC(CC(N)=O)C1([NH3+])CC1,0,GDB ChEMBL
210420,CCCC(=O)C1(C#N)Cn2cccc2C1CC,0,GDB ChEMBL
48492,[NH3+]CCCCOCC(O)C(O)Cc1nc[nH]n1,0,GDB ChEMBL
102188,CCN(C(=N)N)C(=O)Nc1cscn1,1,GDB ChEMBL
173735,CCC(CC)(CC)C1(C)CCCCCC[NH2+]C1,0,GDB ChEMBL
58520,OC1CCC2CC3CC(CCC13)[NH2+]2,0,GDB ChEMBL
203235,CC1([NH3+])CCCOC1CO,0,GDB ChEMBL
29455,CCCC1=CCCC([NH3+])CC1,0,GDB ChEMBL
387232,CC[NH2+]C1CC(C(C)(C)C#N)OC(C)(C)C1C,0,GDB ChEMBL
112356,CC(=O)C(C)(C)Cc1cccc(Cl)c1C,1,GDB ChEMBL
156076,C[NH2+]C1C(C)CC1(C)C(COC)C(C)O,0,GDB ChEMBL
372757,CC(C)(C)CC1CC1C[NH2+]C1(C)CCCC1,0,GDB ChEMBL
22014,Cc1cc(Br)cc2c1CC1CCC1C2,1,GDB ChEMBL
119906,CC(C)Oc1nccc(Cl)c1NC1C[NH2+]C1,0,GDB ChEMBL
290265,O=S1(=O)CC2(CN1)CC2CO,1,GDB ChEMBL
292303,CCn1cc(NCCC#N)nn1,1,GDB ChEMBL
255553,COCCN1CCC(C)C1=O,1,GDB ChEMBL
201994,CC(C)C1(C)[NH2+]CC1NCCO,0,GDB ChEMBL
43547,CCC1CCCC(C(CC[NH3+])OC)CC1(C)C,0,GDB ChEMBL
35729,CCCCC1CC=CC2C=C(C)C[NH+]21,0,GDB ChEMBL
58934,CC1OCCC=C2COCC[NH2+]C1C2,0,GDB ChEMBL
318024,CC1C[NH+](CCO)C2(C=CCCCC2C)C1,0,GDB ChEMBL
218367,C[NH+]1CC2OC(C([NH3+])CO)C2C1,0,GDB ChEMBL
83487,CC1CC2CC(O)C=CC([NH2+]1)C(CO)C2,0,GDB ChEMBL
271057,COc1c(S(N)(=O)=O)ccsc1=O,0,GDB ChEMBL
172724,CC1C(C(=O)[O-])C=CN1C=O,0,GDB ChEMBL
140268,CCc1cc(O)cc(-c2cccc(Cl)c2)c1Cl,1,GDB ChEMBL
148389,C=CCC1NC(C)C(=O)COC1=N,0,GDB ChEMBL
51053,CS(=O)(=O)NC(N)=NC1(CO)CNCC1=O,0,GDB ChEMBL
239997,Cc1c2c(cn1C1CCC1)C1CCC[NH+]1C2,0,GDB ChEMBL
77043,CC[NH2+]CC1(O)CC(NC)=C(C(N)=O)C1,0,GDB ChEMBL
119882,CC(C)CCCC1C=C2CC(C)[NH2+]C2C1,0,GDB ChEMBL
112870,CC(O)CC(C#CC1(C[NH3+])COC1)C(C)[NH3+],0,GDB ChEMBL
107680,CC(=O)OC(C)C1OC2C(=O)NC(C2=O)C1O,0,GDB ChEMBL
45908,CC(=O)CC(C#N)CO,1,GDB ChEMBL
40345,CCCCCC1=CC(C)C(C)CC1,1,GDB ChEMBL
249480,Cc1cc(C(C)(O)C#N)cc2ccsc12,1,GDB ChEMBL
383000,C=CCC=CCC(C)C1OC1CC,1,GDB ChEMBL
241090,CC[NH+](CC)C1C2CC(C)OC21,0,GDB ChEMBL
174275,CCS(=O)(=O)C1C(=[NH2+])NC(C(=O)[O-])C1CO,0,GDB ChEMBL
184266,COC(=O)C(NCCNC(C)=[NH2+])c1ncc[nH]1,0,GDB ChEMBL
235996,CC1(C)Cc2ccccc2C2=CCCC21,0,GDB ChEMBL
85686,CC1(C)CC(=O)C2CCC(CC3CCCO3)C21,0,GDB ChEMBL
50365,CCCCCN(CCC=O)C1C[NH2+]C1,0,GDB ChEMBL
22598,CC1C(O)CC(CCO)NS1(=O)=O,1,GDB ChEMBL
177204,COC1(C)CC(=O)NCC=C(C)C1=NO,0,GDB ChEMBL
118167,C#Cc1cccc(C[NH3+])c1C1(C)CCC1,0,GDB ChEMBL
314900,CCN=C1OC(=O)NC1CCO,1,GDB ChEMBL
393525,COc1nc(=N)occ1C(=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
50332,CC1C2CCC1(C1CCCC[NH2+]1)C(C)(CO)C2,0,GDB ChEMBL
210711,CCC1(C)C([NH2+]C)C1OC,0,GDB ChEMBL
193199,CCC1CC(O)CN2CC12,0,GDB ChEMBL
185981,COCC(=O)N1CC(O)C1S(=O)(=O)[O-],0,GDB ChEMBL
228854,CC1CC2(O)CCNC(=O)C3(C)C1C23,0,GDB ChEMBL
120734,O=C1OCC2[NH2+]C3CC(CC13)C2O,0,GDB ChEMBL
313366,CC(C)COC(C)C1C[NH2+]CC1=O,0,GDB ChEMBL
156508,CC1(CCC(F)(F)F)C2CCC1CC2,1,GDB ChEMBL
241132,N#CC1(CO)NC(C([NH3+])CC(N)=O)C1O,0,GDB ChEMBL
277830,C=CCCC(O)C1(O)CCCOC1,1,GDB ChEMBL
116410,OC1CCCc2cccc(Br)c21,1,GDB ChEMBL
132544,CCC(COC)N(CC[NH3+])C1CC1,1,GDB ChEMBL
120823,NC(=[NH2+])NC1CCCC(=O)C(=O)OCC1,0,GDB ChEMBL
67876,C[NH2+]C(C(C)C)C1C(C)C1C,0,GDB ChEMBL
321826,CC(C)Cn1ccnc(C#N)cc(N)[nH]c1=O,0,GDB ChEMBL
353581,COC1(Cc2[nH]cc(CCC#N)c2C)CC1,1,GDB ChEMBL
258753,C#CC(C)c1ccnc(C(=N)OCC)c1NC,1,GDB ChEMBL
310291,CC[NH+]1CC(CN)NC(C)=[NH+]CC(N)(CC)C1,0,GDB ChEMBL
29231,CNc1nc(O)n(C(C)C)c1C[NH3+],0,GDB ChEMBL
248265,C#CC(C)C(C)CC1CCCC(CC)C1,1,GDB ChEMBL
126943,CCC1[NH2+]C2CCC1(CC(C)C)C(OC)C2C,0,GDB ChEMBL
66717,CCCC1CC(C2CC2)C2CC[NH2+]C1CC2,0,GDB ChEMBL
10600,CC1CNS(=O)(=O)C1C([NH3+])C(=O)[O-],0,GDB ChEMBL
316111,OC(C#CC1CC1)C1CCCC1,1,GDB ChEMBL
293843,CCC1[NH2+]C(CC[NH3+])C2CC12,0,GDB ChEMBL
374358,C#CC1CC[NH+](C)CC#CC(COC)C1C,0,GDB ChEMBL
288618,Cc1ccc(O)c[nH]cnc1CO,0,GDB ChEMBL
71656,C#Cc1cc(C2CCCC2)cc(C)c1I,1,GDB ChEMBL
323364,CC1C2Cc3c(F)cc(F)c(F)c3NC12,1,GDB ChEMBL
130186,CC(CC1=CCCCC1)C(C)(O)C#N,1,GDB ChEMBL
305563,C#CC1CC(=O)CCC(C(C)CC(F)(F)F)[NH2+]1,0,GDB ChEMBL
372536,O=C1CCCC2C=CCC=CCNC(=N2)N1,0,GDB ChEMBL
263496,CC1C(=O)[N-]C(C#N)CC1N1C(=N)NCC1=O,0,GDB ChEMBL
247360,Nc1ncnc2c(NC(=[NH2+])N3CC3)c[nH]c12,0,GDB ChEMBL
230374,CCN(C)C(=O)C(NC=[NH2+])c1c[nH]nc1CO,0,GDB ChEMBL
234901,CCc1c(Br)cc(C)c2c1CCCC2,1,GDB ChEMBL
81481,C[NH2+]CC1CC2C(C)C(C)(CC2(C)C)O1,0,GDB ChEMBL
248913,CCNc1ccc(O)c(F)c1C,1,GDB ChEMBL
62020,CN1Cc2cc(nnn2)NCCNC1=O,0,GDB ChEMBL
29956,CC1CC([NH3+])C(C(O)Cc2nc(N)n(C)n2)C1,0,GDB ChEMBL
280606,CCC1CC2(C)C(C)CCC1C2CC,0,GDB ChEMBL
273392,CC(O)C1CC(C#N)(C(C)CO)[N-]C1=O,0,GDB ChEMBL
249841,CCC1(C(=O)[O-])C2OC2C([NH3+])C1C(=O)[O-],0,GDB ChEMBL
243945,CC(O)c1cnn2cc(C[NH3+])cc(O)c12,0,GDB ChEMBL
191309,COC(=O)C(C#N)(CN)C(C)C1C(N)C1[NH3+],0,GDB ChEMBL
222153,C1=CCC(Nc2coc3ccccc23)CC1,1,GDB ChEMBL
219560,CN(C)C(C#N)C1CC1(C)O,1,GDB ChEMBL
112621,CN1CC2C(CC[NH+]2C)C1=O,0,GDB ChEMBL
207930,Clc1ccc2c(c1Cl)C1(C=CCC1)CC2,1,GDB ChEMBL
383074,CC1CC2CCCC2(C(F)(F)F)CC1C,0,GDB ChEMBL
311001,COC1(C)C2CC(OCC3CC3)C1OC2C,0,GDB ChEMBL
319847,CCCOCC1CCCC1c1cccc(Cl)c1,1,GDB ChEMBL
221153,C[NH2+]C1CC(OC)C(O)C1(C)N,0,GDB ChEMBL
301189,OC1C=C(CCC2CCC2)CCCC1,1,GDB ChEMBL
208600,CCCC(C)C1CC(C)C=CC12CC2,1,GDB ChEMBL
377344,COC1(C#CCO)CCN(C)C1=O,1,GDB ChEMBL
163398,CC#CCC(=[NH2+])N(CC)CC(=O)OC,0,GDB ChEMBL
38607,CCCCC12CCC(COC(C)(C)C1)C2,0,GDB ChEMBL
199452,CCC(C)C1CCc2c(C)cc(Br)cc2C1C,0,GDB ChEMBL
121511,COCCCC1CC(C=O)C2(C)CC(C)C1C2,0,GDB ChEMBL
298955,CC1CC=CCC(C(C(C)O)[NH+](C)C)=CC1,0,GDB ChEMBL
358082,CC1=CNC(=[NH+]C(C)C#N)N(C)CC1,0,GDB ChEMBL
141876,CNC(N)=[NH+]C(C#CCO)C[NH2+]C,0,GDB ChEMBL
24065,CNC1(C(C)[NH2+]C)C[NH+]2CCNC(=O)C1(C)C2,0,GDB ChEMBL
367814,C[NH+](C)CC1(CNC=O)C(N)C1C(O)CO,0,GDB ChEMBL
236542,NC(=O)CCC(O)(CO)C(=O)[O-],0,GDB ChEMBL
62037,N#CCC(=O)COC(=O)c1sccc1N,1,GDB ChEMBL
243737,CCCC1C2C3COC3C1(C)C[NH+]2C,0,GDB ChEMBL
244672,C#CC1=CCC(CC#N)CC1,1,GDB ChEMBL
59185,[NH2+]=C1NC(C(=O)[O-])C(O)C2CC(C(=O)N2)C1O,0,GDB ChEMBL
165621,N=C1NC2C3N1C(=O)C(C[NH3+])CC23O,0,GDB ChEMBL
22802,CCC(C)C1(C)C(=O)CC(C)C(C)C1C(N)=O,0,GDB ChEMBL
232074,CC(NC(N)=O)C(C(CO)C(=O)C=O)N(C)C,0,GDB ChEMBL
200994,C#CC1CCCc2ccccc2C1,1,GDB ChEMBL
265548,CCOCCCC(C)(C)c1c(Cl)ccnc1C,1,GDB ChEMBL
308225,CCCC(C)C1=CCC(C)C1C(C)C,0,GDB ChEMBL
309159,N#CC1CC(CO)C(=O)C2CN12,0,GDB ChEMBL
67366,CN1CC(OS(N)(=O)=O)C2CCC1C2[NH3+],0,GDB ChEMBL
19418,C#CC([NH3+])CC1(C)COCCC1C#N,0,GDB ChEMBL
304581,CC1CC2(CCCCCC(C)[NH2+]CC2)C1,0,GDB ChEMBL
244645,CN(C(N)=O)C(C(=O)[O-])C1(C(=O)[O-])CN1C,0,GDB ChEMBL
182242,Cc1ccc(C(C)C)c2ccc(Cl)cc12,1,GDB ChEMBL
386563,NC(=O)CC[NH2+]CC1NS(=O)(=O)C1N,0,GDB ChEMBL
78671,CCCC1(C[NH2+]C)NC1C(CC)C(N)=O,0,GDB ChEMBL
375862,C#CC(C)(C#N)c1sc(CCC(C)C)cc1C,0,GDB ChEMBL
331758,Nc1nnn2c(C3CC3)ccc2n1,0,GDB ChEMBL
181389,CC(O)CC1(C#N)C(C)N1C(C[NH3+])C(N)=O,0,GDB ChEMBL
379906,CC#CCC(=[NH2+])N(C)CC1CCO1,0,GDB ChEMBL
272519,COC1(C)CC1[NH2+]CCO,1,GDB ChEMBL
142558,Cc1cn(C(=O)OCC(=O)[O-])nc1N,1,GDB ChEMBL
368185,COCCN1CC1C1CC=CCC1,1,GDB ChEMBL
318522,NS(=O)(=O)OC1CC2NC(=O)C1(O)C2O,0,GDB ChEMBL
263290,N#CC1CNS(=O)(=O)CC1(N)C(=O)[O-],0,GDB ChEMBL
144611,CC(CCCC=O)Cc1c(F)cccc1F,1,GDB ChEMBL
339927,C#CC(CC[NH3+])CC1CCC=CC1C,0,GDB ChEMBL
204778,Cc1ccncc1C(NC=[NH2+])C(N)=O,0,GDB ChEMBL
330917,CCC([NH3+])C(C)(C)c1ccc2sccc2c1C,0,GDB ChEMBL
248886,CC(O)C(C)(C(N)=O)C1CN1S(C)(=O)=O,0,GDB ChEMBL
152022,C=CC([NH2+]C)C1CNS(=O)(=O)CC1O,0,GDB ChEMBL
15998,NC(=O)CCC1C2CC(O)C(=O)C12,0,GDB ChEMBL
21561,CCC([NH2+]C)C(C)OC(=O)CN,0,GDB ChEMBL
307543,CCCCC(C)CC12CCCC1C2,1,GDB ChEMBL
372115,CCc1ccc2cc(C)cc(Br)c2c1,1,GDB ChEMBL
229432,CC(C)CC1C(C)C2CCC1(C)C2,0,GDB ChEMBL
372718,C=CC1C2C(C[NH3+])CCC(O)C12C,0,GDB ChEMBL
34964,COC(C(N)=O)C(C[NH+]=C(N)N)C(N)=O,0,GDB ChEMBL
98649,C#CC1CC(O)(C#N)CNC(=O)CN1,0,GDB ChEMBL
116658,CC(=O)NCC1NC2(C#N)CC([NH3+])C1C2C,0,GDB ChEMBL
41658,CCC1(CC)C[NH2+]C1C(C)C,0,GDB ChEMBL
206792,CC(O)C([NH3+])CC(N)C([NH3+])CO,0,GDB ChEMBL
136560,C[NH+](C)CC1(C)C(=O)NCC1NC(N)=O,0,GDB ChEMBL
174808,CC1=CCC2(O)C(=O)OCC2[NH2+]C1,0,GDB ChEMBL
23525,CCC[NH2+]C1C2CC(=O)CC=C(C)C21,0,GDB ChEMBL
312194,COCCC12C3CCC1C2C(C)C3,0,GDB ChEMBL
274659,COC1OC2(CO)C(=O)NC1C2(C)C,0,GDB ChEMBL
305215,CCC(O)C1[NH+]=CNCC2CC1(CO)NC2=O,0,GDB ChEMBL
190527,C#CC1(C)OCOC(=O)C(CC)NC1C[NH2+]C,0,GDB ChEMBL
274132,CC(O)C(CO)N1CC(=N)NC(=O)C1,1,GDB ChEMBL
93762,CCC1C2CC1C(C(C)C)[NH+]1CCCC1C2,0,GDB ChEMBL
227493,CNS(=O)(=O)C1C(O)C1NC(=O)OC,0,GDB ChEMBL
175726,COCCCCC1CCC[NH2+]CCC1,0,GDB ChEMBL
23539,CN1CC([NH3+])C(C2(O)C3C(=O)OCC32[NH3+])C1,0,GDB ChEMBL
16506,CC(CC#N)C1C(CC[NH3+])C[NH+]2CC12,0,GDB ChEMBL
115411,C#CC(C)(O)CNc1cc(I)cc2c1CCC2,1,GDB ChEMBL
319293,CCC1(C=O)CCc2c(ncc(N)c2O)OC1,0,GDB ChEMBL
122017,CNc1cc2c(c(Cl)n1)NCC(=O)C2OC,1,GDB ChEMBL
89650,CCCc1c(C([NH3+])C2CO2)nn(C)c1C#N,0,GDB ChEMBL
372700,C#CC1CC(C)C2[NH2+]CCCC12C,0,GDB ChEMBL
330076,CCNC(=O)c1oc([O-])nc1CC,0,GDB ChEMBL
252092,C#CC1(CC)CC=CCCC[NH+](C)C1,0,GDB ChEMBL
235572,CC1OC2CCCC([NH2+]C2)C(C)O1,0,GDB ChEMBL
371677,CC1CC2C(O)CC(=O)CC1N2C=O,0,GDB ChEMBL
95617,O=Cc1c[n-]c2cncc(Cl)c2c1=O,0,GDB ChEMBL
299947,C#CCC(C)C1CC2C(C)C[NH+]1C2C,0,GDB ChEMBL
146019,CC(C)CC(C)C1OC(C)C([NH+](C)C)C1(C)C,0,GDB ChEMBL
204578,CC1(C)C(=O)OC2COC1CC(C[NH3+])C2,0,GDB ChEMBL
276120,CCNc1c(Cl)cccc1CO,1,GDB ChEMBL
174069,C#CC12CC(C#N)CC(C)C[NH+](C)C(C1)C2,0,GDB ChEMBL
290328,COCC(C)(C)NC(N)=O,1,GDB ChEMBL
40912,CN1CCC([NH3+])(C(CC(N)=O)NC=O)C1,0,GDB ChEMBL
2105,CCCC(CC)CCC(CC)C(C)(C)C,1,GDB ChEMBL
253611,CC(=O)CC1CN1C(=[NH2+])NC(N)=O,0,GDB ChEMBL
42620,CC1C([NH3+])C(O)CC2(C(=O)[O-])CN12,0,GDB ChEMBL
243883,CCc1cc(N)c(C(C)OC)n1C(C)C,1,GDB ChEMBL
349644,COCc1c(NC[C-](C#N)C#N)cc[nH+]c1N,0,GDB ChEMBL
89341,Cc1cc(COCC2C(C)C2O)no1,0,GDB ChEMBL
33121,CC=CC=CC[NH+](CC)CC1CO1,0,GDB ChEMBL
271137,CC(CCO)S(=O)(=O)CC#N,1,GDB ChEMBL
22039,CN1C(=O)OC2C3OCOC3C(O)C21,1,GDB ChEMBL
278831,CC1=C2C(=O)NC(=O)N(C)C2C(C)([NH3+])CN1,0,GDB ChEMBL
184671,Cc1cc(Cl)c2c(c1C)C1CC1C[NH2+]C2,0,GDB ChEMBL
61259,CC12C=CCc3cccc(F)c3C1C=CC2,1,GDB ChEMBL
215817,CC(N)=[NH+]C(CO)C(C)CC1CC[NH2+]CCN1,0,GDB ChEMBL
278006,CCCC1CCC[NH+]1C1CC1C,0,GDB ChEMBL
276337,CN1C(=O)NC(=O)C(=O)C12COC2,0,GDB ChEMBL
257444,CCC(C)N(C(N)=[NH2+])C1CC(=O)C1,0,GDB ChEMBL
140145,COCC(C)CCCC[NH3+],0,GDB ChEMBL
124843,COC(C)CC1=CC(=[NH2+])NC(C)(C)C1,0,GDB ChEMBL
330117,N#CCCOC1CC2CCC(C2)C1[NH3+],0,GDB ChEMBL
95502,Nc1ccc2c(c1)C(CO)OC(=O)NC2,0,GDB ChEMBL
294189,CCCOC(C)C1C2CCC(C)[NH2+]C21C,0,GDB ChEMBL
177227,Cc1cnn2c1COCC(C(F)(F)F)C2,1,GDB ChEMBL
161760,NC12C[NH2+]CC1(N)C2C(=O)[O-],0,GDB ChEMBL
377311,C#CC1CC(C)CC2CCCCCC(CC)C12,0,GDB ChEMBL
34779,CC1C=CCC2CCN1c1cc(Br)ccc12,1,GDB ChEMBL
284325,COC(C)C1C(C)CCC(C)C1C,1,GDB ChEMBL
122983,CC1(C(=O)[O-])C2CCC(CO)(CO2)C1[NH3+],0,GDB ChEMBL
59175,C[NH2+]CC12C[NH+](C)CC1C2(C)C,0,GDB ChEMBL
244306,CC1(C)CN(C(=N)N)C(=O)CC1S(=O)(=O)[O-],0,GDB ChEMBL
58935,CC1C(NC(=O)C[NH3+])COCCCC1(O)C#N,0,GDB ChEMBL
180828,CC(O)C(=O)c1ccc[nH]1,1,GDB ChEMBL
129423,CC(O)C1C=CC(C#N)[N-]C1=O,0,GDB ChEMBL
202846,CC(C(C(=O)[O-])N(C)C(N)=[NH2+])[NH+](C)C,0,GDB ChEMBL
304610,CCC1[NH+]2C(C)CC(CCC1(C)O)C2C,0,GDB ChEMBL
305286,CC(=O)NC1CNC(=O)CC(C#N)OC1,1,GDB ChEMBL
7358,CNC(=[NH2+])CC1(O)C2CC(C)C1NC2=O,0,GDB ChEMBL
246375,C#CCC(CCC)C1C=C(C(C)C)CC[NH2+]1,0,GDB ChEMBL
118679,C#CCC1CC([NH3+])C(CCC)(C(N)=[NH2+])CC1O,0,GDB ChEMBL
34421,CNc1ncc(O)cc(C)c[nH]c1C,0,GDB ChEMBL
30348,N#CCOC1C(=O)NCC1O,1,GDB ChEMBL
361134,CCC1CCN(CC(C)C=O)C(C)=[NH+]1,0,GDB ChEMBL
354750,CC#Cc1nc(C)nc(C)c1Cl,1,GDB ChEMBL
355825,CC1NC(=O)CC2(CO)C(=O)C(C)(C)OC12,0,GDB ChEMBL
305561,CCCC1CC2CC(CC)[NH2+]CC2N1C(C)=O,0,GDB ChEMBL
354399,CC12CC(O)C3C1C3(C#N)NC(=O)O2,0,GDB ChEMBL
261330,CC(C#N)C1C[NH+]=C2N(C)CCC([NH3+])CN2C1,0,GDB ChEMBL
372080,C=CCN=C(NCCCO)C(N)=O,0,GDB ChEMBL
379428,CC1(C)CNC(=O)C1=NO,1,GDB ChEMBL
299981,CCCC1C2CC(C[NH3+])C(O)C12,0,GDB ChEMBL
6508,C#CCC(CC#C)OCC[NH+](C)CC,0,GDB ChEMBL
81499,CC1(CO)CCC2([NH3+])COC1CNC2C(N)=O,0,GDB ChEMBL
34917,CC1OCCC2CC1CC(C)[NH+](C(C)C)C2,0,GDB ChEMBL
85688,C#CC1CC(C)C[NH+]1C(CC)CC,0,GDB ChEMBL
217144,CCCC(C)(CC([NH3+])CC)c1ccncc1Cl,0,GDB ChEMBL
84485,CCC1C(C)C(C)C(C)C2CC=C(C)CC12,0,GDB ChEMBL
313320,NC(=O)C([NH3+])Cn1ncnc1C[NH3+],0,GDB ChEMBL
62527,CCCC(C)C(CC(C)=NO)C(C)(C)O,0,GDB ChEMBL
104455,CCC1(c2ncon2)CC(=O)NC(C[NH3+])C1O,0,GDB ChEMBL
201433,CN1CCC(O)C(=O)NC1=O,1,GDB ChEMBL
43945,CC[NH2+]CCC=CC[NH+]1CC=CC1,0,GDB ChEMBL
24710,N=C(OCCCO)C(=O)[O-],1,GDB ChEMBL
29715,CC#CC(=O)OC(C)CO,1,GDB ChEMBL
284404,CC1=CCC2C1OC(C)CCC2C(C)C,0,GDB ChEMBL
277669,Cc1cc(I)c(N(C)C)c(N)c1C(C)C,1,GDB ChEMBL
84920,NCC1(NC(N)=[NH2+])C(N)C1C(N)=O,0,GDB ChEMBL
204650,CC(Nc1nsnc1N)C(O)C[NH3+],0,GDB ChEMBL
120007,CC(N)=[NH+]C(C[NH2+]CC(=O)[O-])CC(N)=[NH2+],0,GDB ChEMBL
126960,CC1C=CC(=O)N1C(=N)NC=O,1,GDB ChEMBL
251799,CCCC12CC(O)C(N)(C(=O)N1)C2C(C)[NH3+],0,GDB ChEMBL
247560,C=C(C)CC#CCCCCCCC,1,GDB ChEMBL
71719,C[NH2+]C12CC1C([NH3+])C(C)OC2C(C[NH3+])CO,0,GDB ChEMBL
250566,C#CC1NC(C[NH3+])C(O)C1C#N,0,GDB ChEMBL
392247,Cc1nc(C2(C)CC3CCC(C2)O3)ccc1F,0,GDB ChEMBL
101914,CC12CC3CC[NH2+]CC1C2C3,0,GDB ChEMBL
141982,CC1CC[NH2+]CC2CC1O2,0,GDB ChEMBL
256145,CC1[NH2+]C2CC(O)C([NH2+]CC2C(=O)[O-])C1O,0,GDB ChEMBL
325899,CCCC(C)C1=CCC2(CC2)C1,1,GDB ChEMBL
112787,CCC1(C)[NH2+]CCC(CCCCC(C)C)C1[NH3+],0,GDB ChEMBL
227303,C=CCC(C#CCCCCC)CC,1,GDB ChEMBL
148386,CC(O)C1C(C[NH3+])C(=O)N1C,0,GDB ChEMBL
62559,Nc1cc2n(c(=O)n1)CC1(CO)CC2C1,0,GDB ChEMBL
109482,CC(=O)C(CC#N)N=C(N)N,1,GDB ChEMBL
277695,[NH3+]C1CC23C(=O)NC1C2C3CO,0,GDB ChEMBL
92889,CC(=[NH2+])N(C)C1C=C(C)C(=O)C1,0,GDB ChEMBL
156794,CC(=O)c1cc(I)c2c(c1)C(C)(C)CC2,1,GDB ChEMBL
94681,CN1CC2(CC2C=NO)C(=O)C1C(O)CO,0,GDB ChEMBL
301156,CCCc1cnc(C)c(I)c1,1,GDB ChEMBL
112595,CC(=O)C1=CC(C)CCN2C(CO)C12,0,GDB ChEMBL
351367,CN1CC(O)c2c(Br)ccc(O)c2OCC1=[NH2+],0,GDB ChEMBL
204174,CCC1Nc2ccc(C)cc2C(C)C12CC2,1,GDB ChEMBL
319839,CC1CCCC(N)=[NH+]CCC1C,0,GDB ChEMBL
217651,COCC1(O)C(=O)C(C)=CC(C)C1O,1,GDB ChEMBL
97752,COCc1cnc(N)c(C(N)C[NH3+])n1,0,GDB ChEMBL
191306,CC1CC(CC(=O)C#N)NC1=O,1,GDB ChEMBL
6539,C[NH2+]CC(COC)(CC(O)C=O)C(C)(C)C#N,0,GDB ChEMBL
345448,CN(C(N)=O)C1=NCC(=O)N1,1,GDB ChEMBL
212613,CCCC1CC2C=CCCCCC1C2,0,GDB ChEMBL
367771,CC(C)C[NH2+]CC1(C2CC2)CC=CC1,0,GDB ChEMBL
389594,N#CC1CN2C(CCO1)C2C(N)=O,0,GDB ChEMBL
26990,CC1OC(C)C(O)C(C(N)=O)C1[NH3+],0,GDB ChEMBL
46045,O=C(CO)Nc1nc(Cl)c([O-])c(=O)s1,0,GDB ChEMBL
258307,COCC[NH2+]CC12C=CS(=O)(=O)NC1C2,0,GDB ChEMBL
233963,COCC12CCCC(C1)C(C)(O)C2,1,GDB ChEMBL
142389,CC(C)c1c(Br)cc(N)c2c1C(C)CC2,1,GDB ChEMBL
339096,CCC1COC(C(C)c2ccccc2Br)C1,1,GDB ChEMBL
21864,Fc1cc(F)cc(C2=CCCC3C[NH2+]C23)c1,0,GDB ChEMBL
383313,Cc1nc2c(n1C)C(=O)[N-]S2(=O)=O,0,GDB ChEMBL
130891,CC(C)C1CCC2C(C)C[NH2+]C1C2C,0,GDB ChEMBL
234979,CCCN1CC(C(C)O)CCC([NH2+]C)C1=[NH2+],0,GDB ChEMBL
289986,COC1C([NH+]=CN)CC(O)(CO)C(O)C1O,0,GDB ChEMBL
375173,[NH3+]C1C(=O)NCC2(O)C3OCC1C32,0,GDB ChEMBL
11009,NC(=O)NC1CNS(=O)(=O)CC(CC[NH3+])C1,0,GDB ChEMBL
271583,CCOC12CC(C1)C1C2C(=O)N1CC,0,GDB ChEMBL
269207,CC([NH3+])C1NCC2COC(=O)C2C1O,0,GDB ChEMBL
209462,Cc1nc(O)cc(-n2cnnn2)n1,1,GDB ChEMBL
128317,CCN1CC(C)(C)COC1=[NH2+],0,GDB ChEMBL
36016,C#Cc1cccc(NCCO)cscc1CO,0,GDB ChEMBL
37588,CCNC(=[NH2+])OC(CO)C(C)(C)C,0,GDB ChEMBL
163869,C#CC1CN1C(C)C(CC[NH3+])[NH2+]CC,0,GDB ChEMBL
61851,CCC([NH3+])C1C([NH3+])C(C)C[NH+](C)C1CO,0,GDB ChEMBL
26021,C#CCC1(CNC(N)=[NH2+])CC1,0,GDB ChEMBL
37123,CC1C([NH+]=CN)C(C(O)C[NH3+])N(C)C1C(N)=O,0,GDB ChEMBL
274012,COC1(C[NH3+])C(C#N)CC(O)C1O,0,GDB ChEMBL
203747,C#CC1C(C)CCc2ccnc(O)c2C1O,0,GDB ChEMBL
50361,CCC1(OS(N)(=O)=O)COC(=O)C1,1,GDB ChEMBL
352604,CC1CCC2(C1)CN(C)C(=[NH2+])N2,0,GDB ChEMBL
352709,CC(=O)Nc1cc(C)nc(=O)o1,0,GDB ChEMBL
201090,CC1C(C(N)=O)[NH2+]C(CS(N)(=O)=O)C1O,0,GDB ChEMBL
288656,COCCC1=CCCCC1C#N,1,GDB ChEMBL
28274,Cc1scnc1C1CC1([NH3+])CO,1,GDB ChEMBL
61698,C#CC(CC(N)=O)C1CN1C,0,GDB ChEMBL
134749,CCCC1CC2(C)C=CC(C)(C1)C2,1,GDB ChEMBL
118416,C=C(C=O)C(C)C(CO)C(=O)OC,1,GDB ChEMBL
161782,N#Cc1cncc(C(N)=O)c1[N+](=O)[O-],1,GDB ChEMBL
311041,CC1CC([NH3+])C2C(C)C2C(=O)N1,0,GDB ChEMBL
299612,CC1C2OCC=CCOC1C2C,0,GDB ChEMBL
1098,C[NH2+]C(CCNC(N)=[NH2+])COC(N)=NCC[NH3+],0,GDB ChEMBL
291925,CCC(CO)CCNS(=O)(=O)CCC(C)[NH3+],1,GDB ChEMBL
280304,C=CC1C2C[NH+]3CCCC1C3C2C,0,GDB ChEMBL
132428,CCC1(C(C)Cc2cc(C)cc(Cl)c2)CC1,1,GDB ChEMBL
126391,CC(C(=O)N(C)C)c1nc(N)nc2[nH]cnc12,1,GDB ChEMBL
76406,CCOc1nnc(NC(N)=O)nc1NC,1,GDB ChEMBL
51362,CC1(C#N)C2CC(CC[NH3+])C1S(=O)(=O)N2,0,GDB ChEMBL
118829,CC(C)(O)C1OCCC(=O)NC1=O,1,GDB ChEMBL
368162,Cc1cc(CO)c(CC2CC2)c(C)c1C#N,1,GDB ChEMBL
89329,CCCC(C[NH3+])(CC(C)C[NH3+])OCC(O)CO,0,GDB ChEMBL
190036,C#CC1(O)C2CC(C)C(COC)[NH2+]C21,0,GDB ChEMBL
71403,CCN(CCC(=O)OCC(N)C#N)CC(N)=[NH2+],1,GDB ChEMBL
335509,O=Cc1ccccc1Cl,1,GDB ChEMBL
304097,N#CC1CNC(=O)NC2C(CS(N)(=O)=O)C12,0,GDB ChEMBL
370275,NC(=O)c1cc(=O)nc([O-])c(=O)[nH]1,0,GDB ChEMBL
313712,C#CCC1N(C(N)=[NH2+])C1(C#N)CO,0,GDB ChEMBL
7759,C#CC1C(O)C(CC)OC(=O)C2CCOC21,1,GDB ChEMBL
336579,NC(=O)CCOc1nc(=O)[nH]c2c1CCC2,1,GDB ChEMBL
37278,CC[NH2+]CCN1CCC2CC[NH+]=C21,0,GDB ChEMBL
379201,COC(=O)C1(CO)C(C#N)C1NC(N)=[NH2+],0,GDB ChEMBL
53825,Cc1nn(C)c(C(C)(CO)C(=O)CO)c1C,0,GDB ChEMBL
338883,CC1NS(=O)(=O)CC(C#N)N(C)C1C,1,GDB ChEMBL
290001,CCC1=C(C)C(O)(C(C#N)OC)C(=O)N1,0,GDB ChEMBL
37646,C#CC[NH2+]C1C=CC(C)C2CC=CC12,0,GDB ChEMBL
120705,CCS(=O)(=O)NCCS(=O)(=O)[O-],0,GDB ChEMBL
365744,C#CC1(C#C)OC(=O)NC1(C)CCCC(=O)[O-],0,GDB ChEMBL
85808,CC1C([NH3+])CC2C([NH3+])CCC3CCCC3[NH+]12,0,GDB ChEMBL
130602,CCCC1C2CCCC(C)C(C(C)C2)C1CC,0,GDB ChEMBL
341163,[NH3+]CC(CCO)N(C=O)C=O,1,GDB ChEMBL
38465,Oc1ccc2c(c1)C1C(C=CC13CCO3)C2,1,GDB ChEMBL
173146,NC(=[NH2+])Nc1nc[nH]c1NC(=O)CO,0,GDB ChEMBL
339265,CCC1OC(CC)C1C(C)C,1,GDB ChEMBL
378879,COc1cc2c(cc1F)N(C)CC2,1,GDB ChEMBL
393533,CC([NH3+])C(O)C(O)CNC(N)=[NH2+],0,GDB ChEMBL
70181,O=C1C2CC(O)C(NS(=O)(=O)C2)C1O,0,GDB ChEMBL
79242,CC(C)[NH+]1CC=C(C2CC2)C1,0,GDB ChEMBL
169450,CCC1CCCc2cccc(Br)c21,1,GDB ChEMBL
151095,C#CCC(CC)[NH2+]C1(C)CC(C)C(=O)C(O)C1,0,GDB ChEMBL
291502,CN1C(=O)CC23C=CCC12C3NS(C)(=O)=O,0,GDB ChEMBL
338375,CCc1cc2[nH]c(CC(C)(C)C)cc2cc1F,1,GDB ChEMBL
225024,C[NH2+]CC1C(C(N)=O)CC2C1C2(O)C[NH3+],0,GDB ChEMBL
80248,N#CC1(N)CN(C=O)C(C(=O)[O-])C1O,0,GDB ChEMBL
47985,C#CC1CC(OC)C2N(C)CC([NH3+])C12O,0,GDB ChEMBL
308280,CC([NH3+])CCC1(O)CC2COCC2C1,0,GDB ChEMBL
287032,Cc1c(O)cc(I)c(C)c1O,1,GDB ChEMBL
341128,CNC(=O)COCC(=O)CC(F)(F)F,1,GDB ChEMBL
144538,CC(O)(Cn1nccn1)C(O)C(=O)[O-],0,GDB ChEMBL
305289,CCCC(C)C1CCCC1(C)C,1,GDB ChEMBL
242962,COC1C(CC#N)CC2OC2C1O,0,GDB ChEMBL
166437,CS(=O)(=O)Cc1cnc(CO)nc1N,1,GDB ChEMBL
151777,CCC1(C)C2CCCC(C)(C)C1CC=C2C,0,GDB ChEMBL
274216,CC(COC=O)OCC(N)=O,1,GDB ChEMBL
363554,CC1C(O)C2C[NH2+]C3CC(C=O)NC3C1O2,0,GDB ChEMBL
129413,N#CCCOc1ccc(O)c(C[NH3+])c1,1,GDB ChEMBL
235239,COCC(C)CCC1CO1,1,GDB ChEMBL
84515,C[NH2+]C(CO)CC(C)(C)C(=O)c1cn(C)nn1,0,GDB ChEMBL
272580,COC1CC(C)([NH3+])C[NH+]=C(N)CCNC1=O,0,GDB ChEMBL
124151,CCCCC1(C)C2CCC1C1CCC2C1(C)C,0,GDB ChEMBL
208250,CC(O)C1OC(CO)C1CC[NH3+],0,GDB ChEMBL
266253,N#CC1C2C([NH3+])C(C(=O)[O-])CCN12,0,GDB ChEMBL
355282,CC(CC[NH3+])C(C)NC(N)=O,0,GDB ChEMBL
368434,CC(C)CCC1(C)OC2CC1C2,1,GDB ChEMBL
347919,Cc1cc2ccc1C=CC1CC=C(CC2)C1,1,GDB ChEMBL
150534,CC(=O)OC1C(=O)C(CS(N)(=O)=O)C2NC12,0,GDB ChEMBL
304329,OC12CCOC3c4cc(Cl)ncc4N(CC1)C32,0,GDB ChEMBL
149300,C#CC[NH2+]C(CC)CC,1,GDB ChEMBL
203492,C=CC(C)C1C(C)CC(C)CC1O,0,GDB ChEMBL
130822,CC1CCCCC(C[NH3+])C[NH+]=C(N)N1,0,GDB ChEMBL
53729,Cc1c(Br)cc(C#N)c2c1OCCC=C2,1,GDB ChEMBL
322863,C#CCC1C(CC)[NH2+]C(C=C)C1C,0,GDB ChEMBL
38940,COCC1=[NH+]c2[nH]ccc2NC(=O)CCN1,0,GDB ChEMBL
126865,C#CC1CC(C)(C)C(CC)C[NH2+]1,0,GDB ChEMBL
240777,CCC1(C[NH3+])C2CCC1C(C(C)O)C(C)(C)C2,0,GDB ChEMBL
34252,CCC(C)COC(N)=O,1,GDB ChEMBL
269388,CNC(=[NH+]C(CC(C)[NH3+])C(O)C(=O)[O-])N(C)C,0,GDB ChEMBL
64110,O=C([O-])C1CCN2CC(C=CS(=O)(=O)C2)[NH2+]1,0,GDB ChEMBL
303370,CCCCCC(C)C1([NH3+])CC2(C)CCC1CC2,0,GDB ChEMBL
165667,CC1CCCC2(C)C[NH+]1CC1CC2CC[NH2+]1,0,GDB ChEMBL
290319,N#Cc1ncnc2cc(cc(CO)n1)C(=O)O2,0,GDB ChEMBL
394243,CCC(C)CN1CC1CC[NH3+],0,GDB ChEMBL
354397,CC1CC(O)(CC[NH3+])C2(CC2)C1,0,GDB ChEMBL
346495,Cc1nc[nH]c(=[NH2+])c(C)ccc2c1CCCC2,0,GDB ChEMBL
362334,OCC1C2[NH2+]CC3CC2C(O)CN31,0,GDB ChEMBL
249636,O=C1CNC2CCOCC1CS(=O)(=O)C2,0,GDB ChEMBL
259507,CC1OCC(CCC[NH3+])C1c1cc[nH]c(=O)c1,0,GDB ChEMBL
121125,C#CCC1CCc2c(cc(C)c(C)c2C)C1O,0,GDB ChEMBL
122665,CC(=O)NC1C(O)C(O)C(O)C1NC=[NH2+],0,GDB ChEMBL
262277,CCCc1cnc2nc(N)cc-2n1CCCO,0,GDB ChEMBL
195577,C#CC(CCCC)C(C)c1ccc(C)c(F)c1,1,GDB ChEMBL
372214,CCCCC(CC)C1CCCCC(C)C(C)C1,0,GDB ChEMBL
386487,CN1CC([NH3+])C2CC1C=C2CO,0,GDB ChEMBL
275473,Cc1c(C(C)[NH3+])cccn(C)cc2c1CCC2,0,GDB ChEMBL
11432,C[NH2+]C1C2C(C)OC(C(=O)[O-])C12N,0,GDB ChEMBL
362830,CC1(C(C#N)C[NH3+])CN1CCO,0,GDB ChEMBL
363788,CC(C)C1(O)CNC(=[NH2+])C1CC(O)CC(=O)[O-],0,GDB ChEMBL
99393,CC1(CO)NC1C(O)C([NH3+])C(N)=O,0,GDB ChEMBL
252571,Cc1cc2c(c(O)n1)NC(C1(C)CC1)C2,1,GDB ChEMBL
300520,CCC(CO)(NC(=O)CO)C(=O)[O-],0,GDB ChEMBL
50107,CCNCC(=O)OCC(OC)C(O)CNC=O,1,GDB ChEMBL
263395,C#CCc1ccc(C=O)cc1CC1CC1C,1,GDB ChEMBL
321951,CC12CCC(=O)C1C1CCCCC1C2,0,GDB ChEMBL
165665,C[NH2+]CC(C)(CCO)CC1CNC(C(C)=O)=N1,0,GDB ChEMBL
303887,[NH3+]C1C2NC(=O)OC1C(CCO)C2O,0,GDB ChEMBL
151087,Nc1ccc(C2CCC2)cc1Br,1,GDB ChEMBL
330083,CC[NH2+]CC(N)CC(C)(C)[NH2+]C,0,GDB ChEMBL
289852,CCOCc1c(CC)ccc(NC(C)=O)c1Br,1,GDB ChEMBL
338369,CCC1C([NH2+]C)C2COC1C2C[NH3+],0,GDB ChEMBL
182264,NC(=O)C=CCCC([NH3+])C1COC1,0,GDB ChEMBL
315226,CCC(C#N)CC1OC(CC)C1C[NH3+],0,GDB ChEMBL
18666,COC1C2C(=O)NCC2(C)CC2([NH3+])C(N)C12,0,GDB ChEMBL
104932,CC(C)(C)C1(O)CCNC(=[NH2+])CCC1=O,0,GDB ChEMBL
132990,CC1CS(=O)(=O)NC(C(N)=[NH2+])C1O,0,GDB ChEMBL
228104,CC#CCCC(CC)CO,1,GDB ChEMBL
301441,CCC1C2C(CO)CC(OC)C12[NH2+]C,0,GDB ChEMBL
215867,CC12CC(C1)c1cccc(Cl)c1C2=O,1,GDB ChEMBL
298045,CC1CN(C(N)=O)C(C)C1[NH3+],0,GDB ChEMBL
333885,C#CCC1OC2CC(=O)C1C(C)[NH2+]C2COC,0,GDB ChEMBL
354008,CC(C[NH3+])OC(=O)NC(=N)N1CC1C[NH3+],0,GDB ChEMBL
79262,C#CCC1COC(C[NH3+])(C(C)(O)CC)C1,0,GDB ChEMBL
372210,CCC(C[NH3+])OC(C)S(N)(=O)=O,0,GDB ChEMBL
76463,C#Cc1c[nH]c(NCC(=O)[O-])c1,1,GDB ChEMBL
99106,C#CC1C(C#C)C1(CC)COC,0,GDB ChEMBL
155097,CNC(=O)C1C(C)[N-]C(=O)C(O)(C#N)C1CO,0,GDB ChEMBL
140380,CCC(C)C1(C)CCC(C(C)C)C2COCC21,0,GDB ChEMBL
684,Cc1cc(O)c2c3c(cnc(C)c13)CC2[NH3+],0,GDB ChEMBL
81636,C[NH2+]C1C2COC(C2)C1O,0,GDB ChEMBL
252906,CCOCC(CNc1cc[nH]n1)NCC=O,1,GDB ChEMBL
318389,C#CC1=CC(C(=O)CC)CCOC1,0,GDB ChEMBL
61738,CCOc1c(C(=O)OC)cc(=O)sc1[O-],0,GDB ChEMBL
54074,C1CC(NCc2nn[n-]n2)C(C2CO2)C[NH2+]1,0,GDB ChEMBL
76953,C#CCCC(C)C(=O)C1CC(CO)C2OC12,0,GDB ChEMBL
207318,CCNC(=N)C(O)(C#N)C(C)COC(C)=O,0,GDB ChEMBL
1498,CCC1[NH2+]Cc2c1c(CC(C)[NH3+])n(C)c2C[NH3+],0,GDB ChEMBL
235590,CCCc1c(Cl)ccc2c1COCC2C(C)C,1,GDB ChEMBL
240436,NC(=[NH2+])NCC([NH3+])CCC(N)C(N)=[NH2+],0,GDB ChEMBL
42544,C#CC(C(=O)NC)C1CC(C#N)(OC)C1,0,GDB ChEMBL
11426,O=C1CC(C2=CC(O)CC2)C(O)CN1,0,GDB ChEMBL
249495,CCc1cc(Br)c(O)c(N)n1,1,GDB ChEMBL
259151,Cc1cc(OC(C)(CNC(N)=O)C(N)=O)[nH]n1,0,GDB ChEMBL
47229,NC(=O)CCC(=O)n1nc(CO)nc1N,0,GDB ChEMBL
366057,CC1C[NH+](C)CCCC12CCC2,0,GDB ChEMBL
59665,NS(=O)(=O)CC(C(=O)[O-])C12CC(=O)NCC1N2,0,GDB ChEMBL
77521,C[NH2+]CC1CC=CC(C)C(C)(C)C(C)O1,0,GDB ChEMBL
279238,CC#CC1CCC(CC)CC=C(CC)C[NH2+]1,0,GDB ChEMBL
20140,CC(O)C1CC(C#N)C1C[NH3+],0,GDB ChEMBL
270106,CC1C=CCC(C)C2(CO2)CC1O,0,GDB ChEMBL
109161,COCC1[NH2+]CC2C(OS(N)(=O)=O)C12,0,GDB ChEMBL
289285,CCCOC(=O)COC(C[NH3+])CCC,1,GDB ChEMBL
200607,O=C1NC2COCOC2C2[NH2+]CCC12,0,GDB ChEMBL
191267,CCN(C)c1cc(O)cc(Cl)c1,1,GDB ChEMBL
161411,O=S1(=O)NCC(CCc2nc(CO)cs2)CO1,0,GDB ChEMBL
352837,CC1CN(C)C2CC(=O)NC2(CCO)C1=O,0,GDB ChEMBL
159678,CN=C1OCC=C2C[NH+](C)CCC21,0,GDB ChEMBL
119781,COC(=O)NC1CC([NH+](C)C)C1,1,GDB ChEMBL
98847,CC(=N)N(C=O)C(=O)N(C(C)=O)C(C)C,1,GDB ChEMBL
224040,Cc1nc2c(N)c(CC[NH3+])nc(N)c2[nH]1,0,GDB ChEMBL
394940,C#CCCCCCC1CC1(C)C(CC)CC,0,GDB ChEMBL
383011,CC(O)COC1C(=O)OC12CCNC2=O,0,GDB ChEMBL
348882,CN1CC(=O)CC(O)C(C2CN2)C1=O,0,GDB ChEMBL
70187,CC[NH2+]C(C)(C)CC1CC(C)C2OC2C1,0,GDB ChEMBL
114779,COC1(CC(O)CCO)C=CC(=O)C1C=O,0,GDB ChEMBL
37157,CC12CCC1(C)N2CCO,0,GDB ChEMBL
147995,CCC(C(=O)Nc1nc(C)[nH]c1O)C(C)OC,1,GDB ChEMBL
386599,C[NH+]=c1ccc(CC([NH3+])(CO)CC[NH3+])c(Br)[nH]1,0,GDB ChEMBL
398803,[NH3+]C1COCc2nonc2NC1C(=O)[O-],0,GDB ChEMBL
134740,Cc1cnc2ccc(C)n2n1,0,GDB ChEMBL
72416,C[NH2+]C(CO)CCC([NH3+])CO,0,GDB ChEMBL
383793,NC(=[NH2+])C(CO)NC(=O)CNC=O,0,GDB ChEMBL
122018,NC(=O)C1(C2CNC(=O)O2)CNc2ccnn21,0,GDB ChEMBL
386168,CC1(C)C(O)C([NH3+])CC1(N)C#N,0,GDB ChEMBL
97136,C#Cc1c(C)c(Cl)c(Cl)c(CC)c1CC,1,GDB ChEMBL
35717,CCC1CC(C(C)[NH2+]C2(C)CC2)C(=O)O1,0,GDB ChEMBL
305479,COCC1CC([NH3+])C2C3CC(O3)C(=O)N2C1,0,GDB ChEMBL
97214,Cc1c(CC[NH3+])ccn1C,0,GDB ChEMBL
278020,CC1=CC([NH3+])CCNCC([NH3+])C1,0,GDB ChEMBL
231099,CCC[NH+]1CC2=CCOC2C1,0,GDB ChEMBL
324308,CC(O)C(=O)C(C)COC(N)=O,1,GDB ChEMBL
363241,Cc1cc(C2CC2)cc2c1C1CC1C2,1,GDB ChEMBL
336573,CCCC(OC(C)=O)C1COC(=O)C1C(C)O,0,GDB ChEMBL
370246,COCC1(C(C)([NH3+])C(N)=O)C(C)N1C,0,GDB ChEMBL
98951,CC(=O)Oc1ccc(Br)cc1,1,GDB ChEMBL
375465,FC(F)(F)C1Cc2c[nH]cc2C1,0,GDB ChEMBL
341921,CC1=CC2(CCCC2)CCC(C)CC1=O,1,GDB ChEMBL
204825,Cc1cc(C)c(C)c(NCC(C=O)=N[O-])[nH+]1,0,GDB ChEMBL
218819,C#CCCCOc1nc(O)nc2c1nnn2C,1,GDB ChEMBL
95561,CCCC=CC=CCC1C(C)C1C,1,GDB ChEMBL
156770,CC1CC2[NH2+]CCCC2c2cn[nH]c2C1C,0,GDB ChEMBL
24708,Cc1cc(C=O)c(F)nc1C1C[NH2+]C1,0,GDB ChEMBL
366528,CNc1ncc2[nH]ccc2c1N(C)C1CC1,1,GDB ChEMBL
250677,N#CCC(CC(=O)[O-])C1CO1,1,GDB ChEMBL
87658,NC1C([NH3+])C1CCCOC1CCC1,0,GDB ChEMBL
216563,C#Cc1ccc(Cl)c(N=CN)c1OCC,1,GDB ChEMBL
228418,CC1CC=CCC([NH3+])C(C(C)(C)C)C1C,0,GDB ChEMBL
182299,CC1CCC2C3CNC(=O)C3C(C(N)=O)C[NH+]12,0,GDB ChEMBL
188126,CCC(O)C1CCC(C)[NH2+]1,0,GDB ChEMBL
100697,C#CCOC1CCC(C2CCCC([NH3+])CC2)C1,0,GDB ChEMBL
372579,CCOC1C(=O)C(C)(O)C1[NH2+]C,0,GDB ChEMBL
292502,CC12C(N)C(O)C(C(N)=O)C1CN2C(N)=[NH2+],0,GDB ChEMBL
189841,C[NH2+]CC1OCC=CC1C1CC2CCC1C2,0,GDB ChEMBL
259447,NC(=O)NC(CO)C1CC(CO)NC=[NH+]1,0,GDB ChEMBL
395120,CCc1cc(C#CC2CC2)nc(CC)c1I,1,GDB ChEMBL
74357,COCC(=O)CCn1cnnn1,1,GDB ChEMBL
323182,CNc1cc(F)c(C)c(-n2ncc(C)c2O)c1,1,GDB ChEMBL
249423,CNC(=O)c1oc(CO)c([O-])c1C#CCO,0,GDB ChEMBL
276093,C[NH+](C)CCNC12CNC=C1C(=O)OC2,0,GDB ChEMBL
248242,CCC[NH2+]Cc1cc(C(C)C)sc1N,0,GDB ChEMBL
305116,CCC1C=CC[NH2+]C(C(O)C=O)C1,0,GDB ChEMBL
395614,CC1CC=CC2(C1)CC(C#N)[N-]C(=O)CN2,0,GDB ChEMBL
307918,CCC1CCCC2(C)C(CCC(C)C)C12,0,GDB ChEMBL
235999,CN1C(=O)CC2CC(C)(C)C2C1C[NH3+],0,GDB ChEMBL
77548,C=C1CCC(=O)C(C#N)C(O)CC1,0,GDB ChEMBL
358554,C#CCNCC(C#N)NC(N)=[NH2+],0,GDB ChEMBL
260518,CC(C)C(=O)C1CCC[NH2+]CC1,0,GDB ChEMBL
34939,CC1CNC(=O)OC1CC#N,1,GDB ChEMBL
149390,N#Cc1ncnn1C1C[NH2+]C1,0,GDB ChEMBL
330738,N=C1CNCCOCC(=O)N1,1,GDB ChEMBL
190093,Cn1nc(C2(C)CC2)cc1N,1,GDB ChEMBL
210720,COC(C)C(C)(C)CCC1(CO)C[NH2+]C1,0,GDB ChEMBL
132838,CC1=CC(=O)NC(N)=NC1,1,GDB ChEMBL
63103,CNC(C(C)[NH3+])C(N)(CO)C(N)=O,0,GDB ChEMBL
39906,CC12CC[NH2+]CC(N)C(O)CC1O2,0,GDB ChEMBL
296091,C1=Cc2nc3nc(c2C1)OCC[NH2+]CCC3,0,GDB ChEMBL
321415,CC(C)OCC(C)C1CCC(C(C)CC=O)[NH2+]1,0,GDB ChEMBL
103494,CC1OC(C[NH3+])C=CCC1[NH3+],0,GDB ChEMBL
47745,CC=C(C=O)CCNCC[NH2+]CC,0,GDB ChEMBL
39815,O=C1CNC2CS(=O)(=O)CC2N1,1,GDB ChEMBL
230453,CC1(O)C2C(NC(=O)CO)CC([NH3+])C21N,0,GDB ChEMBL
383813,C#CCC1C(COC)=C(C)CCC1(C)C,0,GDB ChEMBL
288901,CCC(C)CC1CCCCC2CCCC1C2C,0,GDB ChEMBL
10582,CC12C(=O)NCC1OC1CC1C(CO)C2=O,0,GDB ChEMBL
386189,CC1CC2C[NH+]3CCC4CC1C2C43,0,GDB ChEMBL
119249,CCC1NC=[NH+]C1C(C)O,0,GDB ChEMBL
156115,CC1CC(COC(C)C)CC[NH2+]1,1,GDB ChEMBL
299616,CC1CCCCC(O)C2CC1C1CCC2C1,0,GDB ChEMBL
90348,CCC(O)CC1CCC(C)(C)C(=O)NC1(C)C,0,GDB ChEMBL
361186,Cc1c(N)nc(OC(=O)C2C[NH2+]C2)[nH]c1=O,1,GDB ChEMBL
40887,C1=CCOC(C2CCCC2)C=C1,1,GDB ChEMBL
195220,C[NH2+]C1C2C(=O)OC1(CO)CC(O)C2O,0,GDB ChEMBL
277778,C#CC(CO)C(NC=O)C(C)C,1,GDB ChEMBL
287365,C#CC([NH3+])C(C)(C)C(C)CC,0,GDB ChEMBL
277555,CCC(CC)n1cccc1,1,GDB ChEMBL
126416,CCCCC1(C)C2CCCC2C(C)C2CC21,0,GDB ChEMBL
130636,C#CC1CC(C)[NH+](CCO)C1C(O)CN(C)C,0,GDB ChEMBL
7419,COC1C(C)NC(=O)C2(N)C([NH3+])C12,0,GDB ChEMBL
75854,NC(=O)c1nc([N+](=O)[O-])cnc1N,1,GDB ChEMBL
391450,CCOCCNS(=O)(=O)c1c[nH]c(=O)o1,1,GDB ChEMBL
337059,COC12C(C#N)CN3C(=O)OCCNC1C32,0,GDB ChEMBL
106641,N#CC1(C(N)C(N)=O)CC1[NH3+],0,GDB ChEMBL
309678,COC(=O)N1CC2OC2C1CO,1,GDB ChEMBL
288922,CCC1(CC(C)=O)CCC(=O)N1,1,GDB ChEMBL
99630,CCC1C(C)CC2C[NH+]3CC2C1C3,0,GDB ChEMBL
338340,Cc1cc(I)c(C(C)C)c2c1OCOC2,1,GDB ChEMBL
260727,CC([NH3+])CC1=CCOCC[NH2+]CC1,0,GDB ChEMBL
272512,CNc1c(CO)n[nH]c(=O)c1C[NH2+]C,0,GDB ChEMBL
378889,CCC(CO)(CC(N)=O)OC(=N)COC,1,GDB ChEMBL
95912,CN1C=[NH+]C(C#N)C(NCCOC2CC2)C1,0,GDB ChEMBL
121965,CCOc1cnc(C(O)C(=O)[O-])cn1,1,GDB ChEMBL
136550,CCC12C([NH3+])C(=O)NC=CC1C2O,0,GDB ChEMBL
341913,O=CCC1OCCCC1O,1,GDB ChEMBL
396136,C=C1CC[NH2+]C(C2CO2)C(CC)C1,0,GDB ChEMBL
363159,CCC1CNC(N2CC(OC)C2=N)=[NH+]1,0,GDB ChEMBL
277766,CC1COC(CC#N)(C(C)C)C1,1,GDB ChEMBL
321944,CC12CCCCCC=CC1C1CC2C1,0,GDB ChEMBL
277625,CC1CC12C[NH2+]CCCCC=CC[NH2+]2,0,GDB ChEMBL
204809,CCC(C)C(CO)[NH+]1C(C)CC2CC21,0,GDB ChEMBL
112362,COC(C)C1CC2C(Nc3ncns3)C2[NH2+]1,0,GDB ChEMBL
137404,CC(C[NH3+])NC(C#N)C1CC1(O)CCO,0,GDB ChEMBL
176483,Fc1ccc(C2COC3CC2C3)cn1,0,GDB ChEMBL
217057,CC(CC(O)C(C)[NH3+])OC(N)=O,0,GDB ChEMBL
201338,COC(c1cc(O)cn1C)C([NH3+])C(=O)[O-],1,GDB ChEMBL
338638,Nc1cc(F)cc2c1NCC1CC(C1)O2,1,GDB ChEMBL
389392,C[NH2+]C1CCC(C)C2(C=O)OC12,0,GDB ChEMBL
222531,CCN(C(N)=[NH2+])c1cc(NC)ccc1OC,0,GDB ChEMBL
277708,COCC1OC(=O)N(C(C)=N)C(N)=NC1C,0,GDB ChEMBL
204303,COC(C)c1ncc(C2CC2)c(Cl)c1Cl,1,GDB ChEMBL
392298,CCn1cc(C)c(=O)c(OC)c1,1,GDB ChEMBL
307962,NC1=NC2C(OC(=O)N1)C2C(=O)[O-],0,GDB ChEMBL
330499,COC(=O)CN1CC(C(N)=O)=C(C(=O)[O-])C1,0,GDB ChEMBL
296296,COC1CCC(CC(CO)CO)C1(C)C,1,GDB ChEMBL
309780,CCC(O)C(C#N)(COCC(=O)[O-])OC=O,0,GDB ChEMBL
380304,CCNS(=O)(=O)CC(=O)C(N)=O,1,GDB ChEMBL
280430,CCC1CC(CCO)C2CCCC(C#N)C1O2,0,GDB ChEMBL
259654,C#CC(C)(CCC([NH3+])C(C)OC)CC(C)C,0,GDB ChEMBL
120006,CCOC1=NC(C)C[NH+](C)CC=CN1,0,GDB ChEMBL
28983,CC12C(O)C(=O)NC(=O)NC1C2(N)C[NH3+],0,GDB ChEMBL
227936,CC1COC(CO)C(=O)NC1C(=O)[O-],0,GDB ChEMBL
374877,CCCC#CCCC1([NH+](C)C)CN(C)C1,0,GDB ChEMBL
234489,CNC(=O)Nc1snc2c1CC([NH3+])CN2,0,GDB ChEMBL
79371,CCOCC(O)C(N)(C[NH3+])C[NH3+],0,GDB ChEMBL
41166,CCC(CC1OC(C)CC(C)C1C)OC,0,GDB ChEMBL
338136,CC(CC1=CCC(C)(C)CC1)C1CC1,1,GDB ChEMBL
40360,C[NH2+]CCC(=O)c1cnc(O)nc1O,1,GDB ChEMBL
12865,C#CC1(C(CCC(C)C)[NH2+]C)CC1,0,GDB ChEMBL
160391,CC12CC([NH3+])(C(=O)N1)C2NS(C)(=O)=O,0,GDB ChEMBL
320762,CC1OC(=O)C2CC3OC3C12,1,GDB ChEMBL
302458,C[NH2+]CCCCC(C=O)CC(C)(C)C,0,GDB ChEMBL
50949,N#CC1CNC(=O)CNCC(C[NH3+])(C(N)=O)N1,0,GDB ChEMBL
369293,CC(C)C(C)C1CC2C[NH+](C)C(C1)C2(C)C,0,GDB ChEMBL
29670,C#Cc1c(C(C)(C)CC)ccc(Br)c1C(C)C,1,GDB ChEMBL
191521,C[NH2+]C(CO)C(=O)N(C)C(N)=O,1,GDB ChEMBL
309850,[NH2+]=c1ccc(NCC(=O)[O-])[nH+]c(CO)c1,0,GDB ChEMBL
117428,CC(C)CC(=O)C(C)C1(O)CN(C)C1=O,0,GDB ChEMBL
397928,CNc1nc(C(CCO)[NH2+]CC(=O)[O-])c(N)s1,0,GDB ChEMBL
2090,CCC([NH3+])C1CCCC(N)=[NH+]1,0,GDB ChEMBL
187233,CCC1CC2CC1(CC[NH3+])C[NH2+]2,0,GDB ChEMBL
125578,CC1CC(O)CC2(C)C(CO)=CC(=O)C12,0,GDB ChEMBL
17646,COC(CO)C1(C)CN1C(N)=O,0,GDB ChEMBL
259475,CN(C)C(C)(C1CNC(=O)CO1)C(N)C(N)=[NH2+],0,GDB ChEMBL
33534,CN1C(C2COC(=O)N2)=NCC1C#N,0,GDB ChEMBL
178065,Cc1cc(C)c(CCC(C)C[NH3+])[nH]1,0,GDB ChEMBL
263303,C[NH2+]C1C2NC(=O)C1(O)C(O)C2C,0,GDB ChEMBL
378257,CCCC([NH3+])(C(C)O)C(CCO)C(=O)[O-],0,GDB ChEMBL
255347,C#CC1C2C1(C[NH3+])OC(C)C2(C)C(=O)[O-],0,GDB ChEMBL
128290,CC(O)C1[NH2+]C(CO)CC1(C)N,0,GDB ChEMBL
282251,CCNc1c[nH+]cc(OS(N)(=O)=O)c1N,0,GDB ChEMBL
57319,CC(O)C[NH2+]Cc1cc(C(=O)C(F)(F)F)c[nH]1,0,GDB ChEMBL
22060,CCCC(O)c1cc(I)ccn1,1,GDB ChEMBL
184908,CC(CC1OC(=N)C([NH3+])C1O)NS(C)(=O)=O,0,GDB ChEMBL
207326,CCc1c(I)cc(I)nc1NC1CC1,1,GDB ChEMBL
24544,COCC(C)C(O)C(C#N)OC,1,GDB ChEMBL
44622,C#CC(C)(CCO)COC(C)C(=O)[O-],0,GDB ChEMBL
112369,C#CC(O)(CC)C1C=CCCC1CC(C)C,1,GDB ChEMBL
211103,CC1(C)C(O)C2COC3C[NH+]2CC31,0,GDB ChEMBL
124808,NC(=O)C(CO)C1=NCC(O)C(=O)O1,0,GDB ChEMBL
40414,CCCC(C(OC)C(O)c1cccs1)[NH+](C)C,0,GDB ChEMBL
70283,COC1CC2(CCO)CC([NH3+])C1C2,0,GDB ChEMBL
331183,CC(O)C1CC1(CO)C([NH3+])CCC#N,0,GDB ChEMBL
61491,C#CCOCc1cc(Cl)c(Cl)c2c1CCCC2,1,GDB ChEMBL
46919,c1cn2c(c1C1CC1)C1CC1C2,1,GDB ChEMBL
172730,COC(C)C1CC2C([NH3+])C2C1CO,0,GDB ChEMBL
312516,CCOC1CC2CC(=O)C3C(=O)N(C)C1C23,0,GDB ChEMBL
261178,Cc1cc(Cl)cc(C2(C)CCC2)c1C,1,GDB ChEMBL
61882,CCC1C[NH+](C)CCC(C)NC1C[NH3+],0,GDB ChEMBL
212537,Cc1cccoc(N)nc(OCC[NH3+])n1,0,GDB ChEMBL
350687,CC1(O)C2C(O)CCC2C2(C(=O)[O-])CC12,0,GDB ChEMBL
95506,CC[NH2+]CC(O)CN1CC(=O)C1,0,GDB ChEMBL
193760,O=CC1COC2CC1NC2=O,0,GDB ChEMBL
210169,C#CC1(C(C)(C)C)CC(C)c2ncccc2O1,1,GDB ChEMBL
280485,CCC(CCCCO)CC1CCCCC(C)C1,0,GDB ChEMBL
19401,CC(CS(N)(=O)=O)C1C[NH2+]CCC([NH3+])C1,0,GDB ChEMBL
300483,CCC(CC[NH3+])Cc1cc(C)c(C)c(Cl)c1C,0,GDB ChEMBL
313345,C#CC(CC([NH3+])C(C)C#N)C(C)COC,0,GDB ChEMBL
136486,CC12CC3CC(C)(CC3C1)O2,0,GDB ChEMBL
352697,[NH3+]C(C(CO)CO)C1NC(=O)NCC1O,0,GDB ChEMBL
199079,CCC(C)c1ccc2c(c1)C=CC2,1,GDB ChEMBL
24725,CC#CC(NCC(F)(F)F)C1CC(CC)C1,1,GDB ChEMBL
44652,NC(=O)CCc1ncc(O)cn1,1,GDB ChEMBL
37661,CC1=CC2CC(C)CCC1O2,1,GDB ChEMBL
148209,CCNC(=NC)c1nc(CCO)cs1,1,GDB ChEMBL
247540,C#CC1(C#C)CCC(CCC(F)(F)F)[NH+]1CC,0,GDB ChEMBL
112424,CC#CC[NH+]1CC(CCC)(CCC)C1,0,GDB ChEMBL
76078,CS(=O)(=O)c1nc(=O)ccnc1C(=O)[O-],0,GDB ChEMBL
86751,[NH3+]Cc1cc([N+](=O)[O-])sc1COCC(O)C[NH3+],0,GDB ChEMBL
114809,CN(CC12CCC(O1)C(C)(CO)O2)C(N)=[NH2+],0,GDB ChEMBL
8670,CC(CCO)COC1CNC(=[NH2+])CC1CC[NH3+],0,GDB ChEMBL
256030,CCCCc1c(C)nn(C)c1CCCC(C)[NH3+],0,GDB ChEMBL
177883,CC(C)C1OC1(C[NH3+])CCC#N,0,GDB ChEMBL
24049,CCCC(C)CCC#CC1=CCCC1,1,GDB ChEMBL
140853,C[NH2+]CC(=O)Cc1cc(OC)ccc1Br,1,GDB ChEMBL
137431,COC(=O)N1CC12C([NH3+])CN(C)C2C(N)=O,0,GDB ChEMBL
234992,C[NH+]=C(N)CNC(=O)CN(CCN)C(N)=[NH2+],0,GDB ChEMBL
340565,CC1=CCCC=C(C)C1C,1,GDB ChEMBL
9949,CS(=O)(=O)CC(C#N)C=O,1,GDB ChEMBL
341345,CC1C(=O)C2CC1(CS(N)(=O)=O)CCO2,0,GDB ChEMBL
377312,CCC1C[NH+]2CCNC1C2C,0,GDB ChEMBL
210203,C[NH+]=C(N)OCCOCC#CCC(C)[NH3+],0,GDB ChEMBL
292708,Cc1cc(O)c(I)c2c1CC(C)CCC2,1,GDB ChEMBL
222800,CCN=C1CCC(C)O1,1,GDB ChEMBL
274585,CCC1C2C(C[NH3+])CC(C(N)=O)N12,0,GDB ChEMBL
155800,CC1CC2CC1[NH+]1C2CC2CCN(C)CC21,0,GDB ChEMBL
269361,CC(O)C([NH3+])C1C2C(C)C=CC21CC#N,0,GDB ChEMBL
277879,CCCC1(C)CCCC([NH3+])CC2CC21,0,GDB ChEMBL
275632,C#CC(C(C)(C[NH3+])OC)C(O)(C[NH3+])C(=O)[O-],0,GDB ChEMBL
325269,CCCc1cc(CC)cc(C)c[nH]cc1CC,0,GDB ChEMBL
70915,CC1(C)[NH2+]C2CCCC1C1(C)CC(C[NH3+])C2O1,0,GDB ChEMBL
338584,CC[NH+]1CC=C2CCC(=O)C(C)=C2C1,0,GDB ChEMBL
121996,CCc1cc(C)c(C#CC(F)(F)F)cc1I,1,GDB ChEMBL
390113,CC1C(=O)CC2CC1(C)CC2c1ccccc1,0,GDB ChEMBL
149341,CC1CCC(C)(O)CCC1O,1,GDB ChEMBL
257419,CC1NC(=O)C(=N)OCCNC1=O,1,GDB ChEMBL
6548,CCC(C)N1C2C[NH2+]CC21CC1CC1,0,GDB ChEMBL
301191,NC(=O)C(C(N)=O)C(O)C(O)(C[NH3+])CO,0,GDB ChEMBL
68660,NC(=O)C1CC2C[NH2+]C1C2,1,GDB ChEMBL
48089,Cc1cc(C(C)C)cc2cnnc(F)c12,1,GDB ChEMBL
18951,CC1CCN2C(C1)C2C(=O)[O-],0,GDB ChEMBL
59651,O=C([O-])C12CC3CC(CC1O)C2C3,0,GDB ChEMBL
395609,C[NH+](C)CC1C2COC(C2)C1(C)C,0,GDB ChEMBL
181548,CCC1(CC)Cc2c(C)cc(I)cc2O1,1,GDB ChEMBL
152551,CCCc1nc2n(c1C)CC1CC2C1,0,GDB ChEMBL
307463,CC1CC[NH2+]CC2C(C)CCC2([NH3+])CC(=O)O1,0,GDB ChEMBL
36048,CC(NC1C(O)C1NC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
353563,O=C1C2CC2N2C(=O)CCOCCC12,0,GDB ChEMBL
140287,C[NH2+]CC1C=CC([NH3+])C(O)CC1OC,0,GDB ChEMBL
393508,CCOCC([NH3+])C(N)C(=O)[O-],1,GDB ChEMBL
85801,NC(=O)NCCOc1noc(N)c1[O-],0,GDB ChEMBL
380241,C#CC(C#C)(COC)C(CC)COCCCC,0,GDB ChEMBL
374368,N=C1C(S(N)(=O)=O)C(C(N)=O)N1CCO,0,GDB ChEMBL
307557,CCC1C(O)C2CC(C)(C(C)[NH2+]2)C1CC,0,GDB ChEMBL
274144,C#Cc1cc(Cl)c(C#C)c(C[NH2+]C)c1,0,GDB ChEMBL
162877,CC=CC12CC(O)CC1CC(=O)N2,0,GDB ChEMBL
169064,CCC12CC1C(C)C(C(=O)OC)CO2,0,GDB ChEMBL
379209,CC1C2CCCCC1C1C2C2CCC1C2(C)C,0,GDB ChEMBL
252693,CC1(C)CCCCCC2CCCC2([NH3+])C1,0,GDB ChEMBL
394902,[NH3+]C1CC2C3C=C(C=CCC2C1O)C(=O)N3,0,GDB ChEMBL
122861,Cc1c(O)cccc1CC(F)(F)F,1,GDB ChEMBL
285708,CCC#Cc1c(O)c(F)cc(F)c1C(C)C,1,GDB ChEMBL
59655,NC1=[NH+]C2CCC1C(CO)NC2,0,GDB ChEMBL
174256,CCCC(C)c1ccc(F)c2c1CCC2,1,GDB ChEMBL
305187,COC1=NCC(C(=O)[O-])C(=N)N1,0,GDB ChEMBL
308114,C#CC1(CC)CC2CCC1[NH+](C)CC2C,0,GDB ChEMBL
242648,C#Cc1cc(F)c(OCCC)c2c1CC(C)C2,1,GDB ChEMBL
38721,C[NH2+]CC(O)C1NC(N)=[NH+]C2C(=O)OC1C2N,0,GDB ChEMBL
182478,C#CCCC1CC2(CCC1CC)CC2,1,GDB ChEMBL
11683,CC12C(C#N)CC(=N)N1C(=O)CC(O)C2[NH3+],0,GDB ChEMBL
372735,[NH3+]CCC1C(O)C1[NH2+]CC(=O)[O-],0,GDB ChEMBL
39823,Clc1ccc2cc1C1CC(C#CC=C2)C1,1,GDB ChEMBL
50870,[O-]N=C1CC[NH2+]Cc2[nH]ncc21,0,GDB ChEMBL
188112,O=Cc1cc(Cl)nc2c1CC1(C[NH2+]C1)C2,0,GDB ChEMBL
119423,CN1CCCC2NC2(C(O)C[NH3+])C1=O,0,GDB ChEMBL
264968,CNC(C(=O)CO)C(C[NH2+]C)C[NH2+]C,0,GDB ChEMBL
161003,CC(=N[O-])C(C=O)[N-]S(=O)(=O)CC(=O)[O-],0,GDB ChEMBL
215486,C#CC(C#C)c1cc(N)c(Cl)c(C)c1OC,0,GDB ChEMBL
325768,CC([NH3+])C(N)C1=NC(C(=O)[O-])CC(C(N)=O)N1,0,GDB ChEMBL
142363,N=C1CCC(CO)C(=O)NC(=O)O1,1,GDB ChEMBL
136121,CC([NH2+]CC1NC(=O)C1(C)O)C(=O)[O-],0,GDB ChEMBL
87501,NC(=O)N1C(=O)CNC(C[NH3+])C1=O,1,GDB ChEMBL
50909,CCC1=CC(C)(OC)CC1O,1,GDB ChEMBL
67613,CC1=CC(=O)C2CCC(C)OCC2(O)C1,0,GDB ChEMBL
332723,O=C1NC(C(=O)[O-])C2OCC3COCC32O1,0,GDB ChEMBL
165272,CC(CN(C)C=O)C(N)=O,1,GDB ChEMBL
266490,CN=C1OCOCC1[NH+]1CCCC1,0,GDB ChEMBL
77823,CC1(O)C(C(N)=O)CC2(CO)CC21,1,GDB ChEMBL
147922,CS(=O)(=O)NC1CC2OC(C1O)C2C[NH3+],0,GDB ChEMBL
282231,CC(C)C12COCCC=C1CC(C(=O)[O-])O2,0,GDB ChEMBL
201040,CC(O)C1NC(=O)C2CCC=C2C1[NH3+],0,GDB ChEMBL
207959,CC(C)(C)C1C=CCOCC1,1,GDB ChEMBL
84837,CC(=O)N1CCNC(C[NH3+])C1C,0,GDB ChEMBL
141774,ON=C1CCCOCCC1,1,GDB ChEMBL
38519,Cc1ccc2c(CC(C)C)c(C)c(C)cc2c1,1,GDB ChEMBL
304433,CCC1CCC=CC(C(C)NC(N)=[NH2+])[NH2+]1,0,GDB ChEMBL
347918,N#CCCC(N)C(=O)OC=N,1,GDB ChEMBL
279981,CCc1c2c(cn1C)C(O)CN2,1,GDB ChEMBL
304368,C[NH2+]CCCc1c(F)c(F)nc(C(C)C)c1F,0,GDB ChEMBL
5291,C=CC12CC(C)(O)C(C(=O)O1)C2[NH3+],0,GDB ChEMBL
147382,C#CCCCC1CC(C)=CCCC1C(C)=O,0,GDB ChEMBL
228494,CC1[NH2+]CCC(C(C)C)(C(O)C#N)OC1(C)C,0,GDB ChEMBL
201000,C1COC2C([NH2+]C3CC3)C2O1,0,GDB ChEMBL
43561,C#CCC(C)C1CCC2(C)CCCCC2C1C,0,GDB ChEMBL
358815,CC#CCN1CC([NH3+])CCCNC1=[NH2+],0,GDB ChEMBL
140765,N=C(C[NH3+])OC(=O)C(CO)NC=O,0,GDB ChEMBL
345373,CC(C(=O)OCC(=O)[O-])c1ccsc1[O-],0,GDB ChEMBL
147570,CCCCCCC1C2COC3(CC3)C12,1,GDB ChEMBL
283296,Cc1csc(C(=[NH2+])N(C)C)c1NC(N)=O,0,GDB ChEMBL
35715,COC1OC(N)=NCC(OCCO)C(O)C1[NH3+],0,GDB ChEMBL
377023,CCC(C)C1CC(C2CC2)C1(C)C,0,GDB ChEMBL
136013,CC([NH3+])c1ccnc(Cl)c1,1,GDB ChEMBL
31070,CCC#CCCC1CC(CO)[NH2+]C(C)(C)C1,0,GDB ChEMBL
318773,Cc1c(C#N)cncncc(C=O)cc1CO,0,GDB ChEMBL
395148,CCC(=O)C1(O)CC2OC2C1C#N,1,GDB ChEMBL
124550,C#CC1(C#C)C[NH+](CC)C(C)CN1,0,GDB ChEMBL
300215,CCC1CC2CCCC(C)(C2)C(C)CCC[NH2+]1,0,GDB ChEMBL
127244,CCN=C1CC(=O)C2C(=O)NCC2O1,0,GDB ChEMBL
18904,CC#CC#CC#Cc1c(C)cc(Br)cc1C,1,GDB ChEMBL
155180,CN(CCO)C1(C(=O)[O-])CS(=O)(=O)C1,0,GDB ChEMBL
98901,CC(C#N)NC1CC(NC(N)=O)CC1=O,1,GDB ChEMBL
362214,CC1CCOCC1C1CCCCC2CC2O1,0,GDB ChEMBL
9831,O=C([O-])C1CN1S(=O)(=O)CC1=NCCO1,0,GDB ChEMBL
181018,CC1CC2CC2C1[NH+]1CC=CC1,0,GDB ChEMBL
352576,CS(=O)(=O)N1C(C[NH3+])C1(C#N)C(=O)[O-],0,GDB ChEMBL
47535,COCC1C(O)C1(C)NC(N)=O,0,GDB ChEMBL
320316,COC1C(O)CNC(=[NH2+])C2CCC(=O)C1C2,0,GDB ChEMBL
101934,CCC1CC(C(C)CC)=CC=C(C#N)C[NH2+]1,0,GDB ChEMBL
2996,CCC(C)C1CCC(C)=C(C)C(CO)[NH+]1C,0,GDB ChEMBL
99464,CCC[NH2+]CC(C(C)(C)O)C(C)(O)C=NO,0,GDB ChEMBL
386187,Cc1c[nH]c(=O)c2c1ncn2CC#N,1,GDB ChEMBL
289828,CCC1CCCCC2CC1C(C1CC1C)C2,0,GDB ChEMBL
83109,C[NH+]1CCC2C=CC1C1CCC2(C)C1,0,GDB ChEMBL
296324,CCCOCc1ccc2[n-]nnc2n1,0,GDB ChEMBL
29259,N=c1[nH]cc(C#CCCC(=O)[O-])c(=O)[nH]1,1,GDB ChEMBL
331203,[NH3+]CCCC(=O)N1CCC=C1c1ccoc1,0,GDB ChEMBL
29194,CCC1(O)CC2C(=O)C1CN2C,1,GDB ChEMBL
336030,C#CCC1CCCC(CC)(CC(C)C)O1,1,GDB ChEMBL
383318,COCC(C)N(C(N)=O)C(=O)NCC=NO,1,GDB ChEMBL
240785,CCOC(=O)N(C)CC(CC#N)NC,1,GDB ChEMBL
115158,Nc1cn2c(n1)C(NCC(=O)[O-])C2,0,GDB ChEMBL
243912,CCC(C)c1c(Cl)ccc2c1CCCO2,1,GDB ChEMBL
185287,COC(=[NH2+])NC1CC(C(=O)[O-])C1,0,GDB ChEMBL
151752,C#CCC1C2CC(C)C1CC(C(O)CCC)C2,0,GDB ChEMBL
133958,NC(=O)C(O)CC(CO)C(N)=O,1,GDB ChEMBL
259585,CCC(O)C#CC(C)COC(C)C[NH3+],0,GDB ChEMBL
119815,CCC(COCC1CC1)C1CC2CC1C[NH2+]2,0,GDB ChEMBL
326447,CC1(O)C[NH+]=C(N)NCC1NC(N)=[NH2+],0,GDB ChEMBL
280983,C#CCCc1cc(CCCO)ccc1C#C,1,GDB ChEMBL
131625,CN1CC1C(CCCO)[NH+](C)C(C)(C)C,0,GDB ChEMBL
26025,CC1CC2CC(C)(O)C(O)C1[NH2+]2,0,GDB ChEMBL
344279,CCC(=O)N1CCN=C1C([NH3+])C1(CC)CC1,0,GDB ChEMBL
305131,CCCCCC1(C(C)C)CC(C)C(C)(CC)C1,0,GDB ChEMBL
33109,NC(=O)C1CC[NH2+]C2C(O)C2(O)C1,0,GDB ChEMBL
33567,CCC(C)C1(C(CC)COC)CCC(C)C[NH2+]1,0,GDB ChEMBL
317760,CC1(CO)C=CC(=O)CC2(CCC1)C[NH2+]C2,0,GDB ChEMBL
217675,C[NH+]1CC(C(N)=O)C1(C)C,0,GDB ChEMBL
361133,C[NH2+]C(C)CC1C=C(C)C2C1C2(C)C,0,GDB ChEMBL
1977,CC1OC1C(O)CC[NH3+],0,GDB ChEMBL
238163,CCNC(=[NH2+])C1CCOC1=O,0,GDB ChEMBL
316443,C#CC(C)(O)CC1CC([NH3+])C1,0,GDB ChEMBL
146897,CCCCC(C)c1cc(Br)cc(Br)c1O,1,GDB ChEMBL
338284,C[NH+]=C(NCCC1CCC(=[NH2+])N1C)NC(N)=[NH2+],0,GDB ChEMBL
205808,C1C[NH2+]C2CCC3CC3(C1)C2,0,GDB ChEMBL
184649,CCC1(C)C2CC3C(CC[NH+]3C)C21,0,GDB ChEMBL
195341,COC(C)C1C(N)C(C[NH3+])CC(CO)[NH+]1C,0,GDB ChEMBL
175851,NC(=O)c1cc(OCCO)c(=O)on1,0,GDB ChEMBL
238175,NC(=O)C(NC1(C[NH3+])COC1C[NH3+])C(=O)[O-],0,GDB ChEMBL
328902,CC(=O)OCc1ccoc(N)nc(O)nc1,0,GDB ChEMBL
190232,CCC1N2C=NC(C(=O)NC)C12C,0,GDB ChEMBL
386518,CC(O)C([NH3+])CN=CN(C)C=O,0,GDB ChEMBL
290175,NC(=[NH2+])C1NC(=O)C2CC2C([NH3+])C1O,0,GDB ChEMBL
284306,CN1CCC2(C3COC3)[NH2+]CC=C2CC1=O,0,GDB ChEMBL
26613,C=CCC1C=CCC(CO)CC1=O,0,GDB ChEMBL
387292,COC(C)c1cc2n(c1)CCC2,1,GDB ChEMBL
177093,C=CCC1C2COC1C(C)C(C)C2,0,GDB ChEMBL
348808,CCC1C(CO)NC(=O)C(=O)C2CC21C,0,GDB ChEMBL
352813,CCC1[NH2+]C(C)(C)CC1O,0,GDB ChEMBL
285732,CC(C)[NH+]1CC2(CC(CO)CC2C)C1C,0,GDB ChEMBL
355811,C=C(C)CC(C)C1CCC(O)C1C,1,GDB ChEMBL
59628,C[NH2+]CC1CC2=CC(C#CCCCCC2)C1,0,GDB ChEMBL
61277,NC(=O)OC(CO)(CC[NH3+])C(N)=O,0,GDB ChEMBL
206972,CC(C)(O)C1CC1(CN)[NH+]=CNCC(=O)[O-],0,GDB ChEMBL
65642,C#Cc1ccc2c(c1)C1C=CCC(CC1)C2,0,GDB ChEMBL
132660,CCC1(C([NH2+]C)C(=O)[O-])CNC1C(N)=[NH2+],0,GDB ChEMBL
337138,CCC1(C)CCC(=O)N(CC(C)C)C1C,1,GDB ChEMBL
181115,C[NH+]1CCCC(C(C)(C)O)C1,0,GDB ChEMBL
89363,CCCC1C(C)C2CCC(C3CC13)C2OC,0,GDB ChEMBL
200582,N=C1OC(C(N)C[NH3+])C(O)C1n1ccnc1,0,GDB ChEMBL
283240,N=COC1CC([NH3+])CCCC([NH3+])C1CC(=O)[O-],0,GDB ChEMBL
282260,[NH3+]CC#CC(=O)NCC(=O)[O-],0,GDB ChEMBL
116616,CC(C(N)=O)C1CC2NC(=O)NC2C1O,0,GDB ChEMBL
40404,CCC1C2=CCCN(C)CC1[NH2+]C2,0,GDB ChEMBL
34729,CC(C)CC[NH2+]CCC1COCCC1C(C)C,0,GDB ChEMBL
34196,N#CC1CNCCOCCNC(=O)O1,1,GDB ChEMBL
71712,CC(OC(N)=O)C1OC1(CO)C([NH3+])C(=O)[O-],0,GDB ChEMBL
265495,CCC1C(CC)C2C[NH+](C)CC12,0,GDB ChEMBL
274881,NC1=NC(C2C[NH2+]C2C(N)CO)C(=O)N1,0,GDB ChEMBL
277085,NC(=O)CC[NH+]=C1NCCCC(=NO)C1O,0,GDB ChEMBL
140789,O=c1[n-]c(F)cc(F)c1CNCC(F)(F)F,0,GDB ChEMBL
258732,CC1CCCCCC=C2CCCC2C1,1,GDB ChEMBL
112824,CC1CC(O)C2(N)C(=O)NC(C)C1C2[NH3+],0,GDB ChEMBL
251813,CCC(NC(=O)CC1NC1C)C(=O)[O-],0,GDB ChEMBL
278227,CC(C)CCC(CC(C)C)[NH2+]CC(=O)[O-],1,GDB ChEMBL
61291,CC(=O)CCC(=O)OC1(C#CCCO)CC1,1,GDB ChEMBL
262281,[NH3+]CC1CC=CCc2c1ncc1c2OCO1,0,GDB ChEMBL
127522,C#CC1[NH+](C)CC23CCCC12NC(=O)C3,0,GDB ChEMBL
350901,COC(C)(CC(N)=O)C1([NH3+])CCC(C)(C)CC1,0,GDB ChEMBL
76115,C[NH2+]CC(N)C1(CCO)CO1,0,GDB ChEMBL
386663,CS(=O)(=O)NCC1C(=O)OC2C([NH3+])C12N,0,GDB ChEMBL
20720,CCCC1CC2C(CC)CC1C2CC,0,GDB ChEMBL
16515,CS(=O)(=O)NC1C([NH3+])CNC(=O)C12CO2,0,GDB ChEMBL
355763,CC=C(CC)C(OCC)C(C)OC,1,GDB ChEMBL
65914,CC1C2NC(=O)COC1C2[NH3+],0,GDB ChEMBL
97202,C#CC(C#C)C1(C(C#N)CC(C)C)CC1,0,GDB ChEMBL
216573,Nc1cc(C(=O)c2nnco2)cc(Cl)n1,1,GDB ChEMBL
315150,CC1=CC2(C)C[NH2+]C(CO2)C1,0,GDB ChEMBL
147974,CN1C(OCC[NH3+])=NCC1C(N)=O,0,GDB ChEMBL
75473,[NH3+]C1C(=O)NC2C(CO)CC(O)C12O,0,GDB ChEMBL
333663,CC(CCC(C)(C)[NH3+])C1CC1,0,GDB ChEMBL
76938,CCOC(C)CCC#N,1,GDB ChEMBL
393521,CC(CO)OC(CCO)C(O)CS(=O)(=O)[O-],0,GDB ChEMBL
2104,Cc1c(Br)c(C#N)nc2c1CCN2,1,GDB ChEMBL
163838,O=CNC1CCNS(=O)(=O)CC(O)CC(=O)C1,1,GDB ChEMBL
287360,C#CC([NH2+]C)C1CCC(C(=O)[O-])CC1,0,GDB ChEMBL
200973,N#Cc1c(=O)nc(N)nc2ncnc(N)c12,0,GDB ChEMBL
190007,CC(C)(CC[NH3+])CC1C[NH2+]C2CCC1C2,0,GDB ChEMBL
229447,CC(NC=O)C1OC1C([NH3+])C(=O)[O-],1,GDB ChEMBL
81567,CCc1cc(N)c(=O)[nH]n1,1,GDB ChEMBL
57253,O=C1CC(=O)c2c(Br)ccc3c2C(C1)OCC3,1,GDB ChEMBL
393582,C[NH+]1CC(C2(C)CO2)C1,0,GDB ChEMBL
354724,CC1CC2(C)COC(C(C)CC(O)C2)C1C,0,GDB ChEMBL
247558,CCC(C[NH3+])C1NCCC([NH2+]C)C1N,0,GDB ChEMBL
190512,Cc1nn(CCO)c2c1CC(C)N2,1,GDB ChEMBL
308335,CC(C)C(C)Cc1cc[nH]n1,1,GDB ChEMBL
254206,O=CNCC1OCC(O)C(CO)OCC1O,0,GDB ChEMBL
274227,Cc1c(N)n(C2CCC2)c2cccc(I)c12,1,GDB ChEMBL
157488,Clc1ccc2c(c1)COc1noc(n1)CCO2,1,GDB ChEMBL
221353,CC1(C2CC2)CC2CCCCCC1C2,0,GDB ChEMBL
230210,CC1C2C[NH+](C2)C1C(N)=O,0,GDB ChEMBL
129799,CNC(=O)CN(CC=O)S(C)(=O)=O,1,GDB ChEMBL
311357,CCCC(C#N)C1C=CC(=O)CCN1,1,GDB ChEMBL
298920,CC1C(O)CC(CC(N)=[NH2+])NCC(=O)N1C=O,0,GDB ChEMBL
191391,C#Cc1cc(C#N)c(NC)c([O-])cccs1,0,GDB ChEMBL
119279,O=C([O-])c1cc(I)c(OC(CO)CO)oc1=O,0,GDB ChEMBL
312189,CC(CO)c1ccnc(Br)c1CN(C)C(C)C,1,GDB ChEMBL
392755,CCc1cc2ncnc(I)c2c(N)c1C,1,GDB ChEMBL
316274,CC1C2CCCCC2CC2(C)C(C)CCC12,0,GDB ChEMBL
102321,CC1CC2(C)C=CCCCCC1C(C)C2,0,GDB ChEMBL
132991,CCC(C)C1CC2C[NH+]1C1CNC(=O)OCC21,0,GDB ChEMBL
304083,C#Cc1cccc(C2CC(C#CC)C2)c1F,1,GDB ChEMBL
25248,CC1CCCC(CC2CC2)C12CC2,1,GDB ChEMBL
211133,CCC1=CC2CC[NH2+]C1C(=O)C2CCC#N,0,GDB ChEMBL
115009,CC1=CCC2CC12c1ccc(C)nc1N,1,GDB ChEMBL
171905,COC(C)(C)C1CNC(C)C(=O)N1,1,GDB ChEMBL
122838,CCC1C2CC(C[NH2+]2)OC1C1=CC(=O)CC1,0,GDB ChEMBL
47355,C#CC(C#C)CC1=CCCC(C)CCC1,1,GDB ChEMBL
126923,CC1OC2CC[NH2+]C(C2C)C(N)C1NCCO,0,GDB ChEMBL
225835,C#CCOC(C)c1ccncc1N,1,GDB ChEMBL
300223,CC(C)(C)OC(=O)C(N)C1CN1,1,GDB ChEMBL
305993,C#CC(C)([NH3+])c1cncc(C(C)O)c1,0,GDB ChEMBL
39991,N=C(N)N1C(=O)C2C3OCC1C32,0,GDB ChEMBL
227921,C#CC(C#C)Cc1c(C)cc(C)[nH+]c1C,0,GDB ChEMBL
166459,CCCCC(O)CC1=CC2C(C1)[NH+]2C,0,GDB ChEMBL
32065,C=C(C)c1cccc(I)c1C(C)=O,1,GDB ChEMBL
9733,CCC(C)C(C(=O)C(C)CO)C(C)(CO)OC,0,GDB ChEMBL
254876,COC1CCCC(O)C1CO,1,GDB ChEMBL
26957,CCCC1CC(C)C2CC(C[NH2+]C)C1C2OC,0,GDB ChEMBL
204507,C#CCC1(C)CC(C)C(C)C1CCC,0,GDB ChEMBL
4733,NC1=[NH+]CCC2C3[NH2+]C(CC3O)C2O1,0,GDB ChEMBL
83013,CCC1(O)C2CCC1(COC)C(C#N)C(C)[NH2+]2,0,GDB ChEMBL
132320,CCc1cc(C)c(C(C)C(C)C)cc1CCO,1,GDB ChEMBL
236646,CC1(CCCO)CC(C#N)N1CCC#N,0,GDB ChEMBL
288956,CCCCCc1cc2c(cc1Br)CCC2(C)C,1,GDB ChEMBL
155831,Cc1c(N)c(CC[NH3+])cn1Cc1cccnc1,0,GDB ChEMBL
359091,NC(=O)Cc1ccccc1,1,GDB ChEMBL
50235,CC1C(O)C2[NH2+]C3CN(C)C2C31,0,GDB ChEMBL
296027,CC1CCCC(CC[NH2+]C(C)C)CC1,0,GDB ChEMBL
222862,C#Cc1c(C)c(CC)nc(C2CC2C)c1F,0,GDB ChEMBL
40277,CCC12C[NH2+]C(C1)C(COC)C1CC12,0,GDB ChEMBL
374930,N#CCOC(=O)C1C[NH+]=C2NCC(CC[NH3+])N21,0,GDB ChEMBL
285102,CC12CC[NH+]3CC(C1)C(C3)[NH2+]2,0,GDB ChEMBL
170431,CC(C)C(O)C(C)CC1CC1C,1,GDB ChEMBL
354621,C[NH2+]CCC1OC(=O)C2(C)C(O)C(O)C(O)C12,0,GDB ChEMBL
315174,CN=C1CCCOC(=O)N1C,0,GDB ChEMBL
22573,CC(C)(C)C1C(O)CCN2CC12,0,GDB ChEMBL
115892,CC(CC(N)=O)n1cc(O)nc1N,0,GDB ChEMBL
20083,CCOC(CC)CC12CC=CCC(C1)C2,0,GDB ChEMBL
365834,C#CC1C(C)CC(=O)N(C)CC2COCCN21,0,GDB ChEMBL
161954,CN1C2COCC1C(C)(C#N)C2,0,GDB ChEMBL
170441,OCC1CCC=CC2(CCCCCC1)CC2,0,GDB ChEMBL
28229,CC1C=C(C(CC#N)C(=O)[O-])CCCCC1,0,GDB ChEMBL
853,C#Cc1ccc(=O)c2c([O-])n(CC)nc2c1,0,GDB ChEMBL
162524,CCCC1CC(CCC(C)C)C2CCCC12C,0,GDB ChEMBL
127664,CCC1C(OCC2CC[NH2+]C2)C1(C#N)CO,0,GDB ChEMBL
296392,Cc1nc(CO)c(CCCC#N)c([N+](=O)[O-])n1,0,GDB ChEMBL
114409,CCC(C1CNC(=O)O1)C(C)(CC)[NH2+]C,0,GDB ChEMBL
263275,CC1C(=O)OC2(CNC(N)=[NH2+])C=CCC12O,0,GDB ChEMBL
372615,CNCc1nc(C)nc(S(C)(=O)=O)n1,1,GDB ChEMBL
382609,CCC(C1CCCCCCC1)C(C)C1CC1,0,GDB ChEMBL
235605,CC1[NH2+]C2CC(C[NH+](C)CCOC2C)OC1C,0,GDB ChEMBL
113513,C[NH+](C)C(CCO)C1(C=O)CO1,0,GDB ChEMBL
228434,CNc1[nH+]c(N)cc(CO)[nH]c(=[NH2+])ccc1C,0,GDB ChEMBL
33877,CCC1CCC2C1S(=O)(=O)CCN2C(C)=O,0,GDB ChEMBL
51843,CC(C)CCC1(C)C2CCCCC1C2,0,GDB ChEMBL
181565,COc1c(O)cc(I)c(C(C)(C)O)c1O,1,GDB ChEMBL
166444,CC1CCC2(C)C3CCCCC(C)(CC3)C2C1,0,GDB ChEMBL
350690,CCC([NH3+])C(O)C1C[NH2+]C1C,0,GDB ChEMBL
291508,C#CCC1Cc2c(Cl)cc(Cl)cc2C=C1C,0,GDB ChEMBL
70290,CC1CC(O)(C(C)C(=O)[O-])C2CN12,0,GDB ChEMBL
396736,CC[NH2+]C(CCC(C)=O)C(=O)[O-],1,GDB ChEMBL
112464,C=CCNC(N)=[NH+]CCC(=O)C#N,0,GDB ChEMBL
354476,C#CCCN1CC(=O)NC(C)(C=O)CC1=O,1,GDB ChEMBL
138372,CCCOC1CC=C(C=O)CC(C)(O)C1,0,GDB ChEMBL
174814,C#CC1=CCC(C)(C)C1C(CCC)C(C)C,0,GDB ChEMBL
60647,N#CC[N-]C(=O)Cn1cc(C[NH3+])nn1,1,GDB ChEMBL
230258,CC=C1C(O)CCC2CCC1[NH2+]C2,0,GDB ChEMBL
140734,CCCOCCC(Cc1ccncn1)=NO,1,GDB ChEMBL
45682,[NH3+]CCNc1cnc(I)c(C(O)C2CC2)c1,0,GDB ChEMBL
274964,NC(CCO)=[NH+]c1ccc(CO)nc1O,0,GDB ChEMBL
245833,N=C(N)NC(=O)C1NC(CC(O)CO)C1N,0,GDB ChEMBL
307881,CN(C)C(=O)N(C)C(=N)NC(=O)C(N)=O,1,GDB ChEMBL
288626,CCCCCC([NH3+])CC([NH3+])C#CC[NH3+],0,GDB ChEMBL
11733,CCC(=O)N(CC1CC(C)C1)C(C)(C)C=O,1,GDB ChEMBL
71254,NS(=O)(=O)CC1C2CC(CO)[NH2+]C21,0,GDB ChEMBL
290322,CC1(C)CNC(=O)C2(O)C([NH3+])C2(C(=O)[O-])O1,0,GDB ChEMBL
13892,CCC[NH+](C)CCOCC(C)[NH3+],0,GDB ChEMBL
81605,CC[NH+]1CCC2CCC=CC1C2(C)O,0,GDB ChEMBL
284745,CCC1C(C)C(C)C2C=CCCC(C)CC21,0,GDB ChEMBL
193328,CC(O)C(C)CCCC1CC2CCC(C1)[NH2+]C2,0,GDB ChEMBL
310153,CCCCC(C)C1C2CCC(C)[NH+]21,0,GDB ChEMBL
301149,CCC(CNC(N)=[NH2+])c1cocn1,0,GDB ChEMBL
369310,C#CC(CCCC)(C(C)C)C1CCC(C)CC1,0,GDB ChEMBL
223995,CCCCC(C)(C)C(C)(C)c1ccc(C)cc1,1,GDB ChEMBL
263281,CCCOCC(=NO)C(C)(C)CC,1,GDB ChEMBL
254847,CC(N(C)C(N)=O)C(O)(CO)CCC#N,0,GDB ChEMBL
139837,CCCC1=CCC[NH+]2CC(=NO)C(C1)C2,0,GDB ChEMBL
38171,Nc1cn2c(n1)NC(C=O)C2,0,GDB ChEMBL
112881,CNS(=O)(=O)CCOC(C[NH3+])COC=O,1,GDB ChEMBL
262549,CC([NH3+])CCC1(C)C2C[NH+](C2)C1C,0,GDB ChEMBL
351131,CCCC(C)C1CC(CC(C)[NH3+])=CC(C)C1,0,GDB ChEMBL
381492,C=C(C(=O)CC)C(=O)NC1CC1O,1,GDB ChEMBL
99844,OC1C=CC2OCC3C(C1)[NH2+]CC23,0,GDB ChEMBL
320307,C1CCC2C3C[NH+](CC1)C2C1CC31,0,GDB ChEMBL
65917,CC(C)C1C2CCOC21c1ccc(Br)nc1,0,GDB ChEMBL
147985,C#CCOCC(C([NH3+])CC#CC)C(C)(C)C,0,GDB ChEMBL
385976,CCCC#CC(C)C(=O)C(O)CC1CCC1,0,GDB ChEMBL
324312,CC(C)C([NH3+])C1NC(=O)CC1NCC[NH3+],0,GDB ChEMBL
201421,CNS(=O)(=O)OCC1[N-]C(=O)NC1=O,0,GDB ChEMBL
50933,C#Cc1c(C)cc2c(c1I)OCCO2,1,GDB ChEMBL
341205,CC(CS(=O)(=O)[O-])NC(=O)C1CO1,0,GDB ChEMBL
194726,CC(C)C(=[NH2+])NCC1CC=CC1,1,GDB ChEMBL
40353,Cc1ncc(CO)c(I)c1OC1CCC1,1,GDB ChEMBL
31326,CC1CC(C2COC(=O)N2)C2CC2(C)O1,0,GDB ChEMBL
212570,CCCC1(C)CC23CC(O)CC2(C1)N3C,0,GDB ChEMBL
292724,CNc1[nH]c(C(F)(F)F)c(CCC[NH3+])c1C#N,0,GDB ChEMBL
295876,NC(=[NH2+])C1OCCOC1C(=O)NC(N)=O,0,GDB ChEMBL
77530,CC(=O)NC(C)C(N)=[NH2+],0,GDB ChEMBL
263273,C[NH2+]C(C)CC1C=CC2CCC1C2C,0,GDB ChEMBL
338958,C[NH2+]C1C(C(N)=O)N2CC1(O)C2(C)C(=O)[O-],0,GDB ChEMBL
271518,CCC[NH2+]CC(NC)C1CCC1(O)CO,0,GDB ChEMBL
127718,C#CC(C#C)(C#C)C(CCC)C1CC1,0,GDB ChEMBL
29634,COCC(C)=CC(C)C(C)C(=O)[O-],0,GDB ChEMBL
115962,CCC(CC)COC=O,1,GDB ChEMBL
61875,NC(=[NH2+])NCC1C[NH2+]C1C(C=NO)C(N)=O,0,GDB ChEMBL
221115,CC1CCCCC[NH2+]C1,0,GDB ChEMBL
44352,CC1CC2CC[NH2+]C3CC2OC13C,0,GDB ChEMBL
21892,CC1C(CC(C)(C)C(C)C)CC2OC(=O)C21,0,GDB ChEMBL
232046,C[NH2+]C(C)CCN1C(=[NH2+])NC(C)(C)C1CO,0,GDB ChEMBL
99410,CCC=CC(C)(C)CC(C)C1CC1,1,GDB ChEMBL
294475,CC1C([NH3+])CC[NH+]=C(N)C1C(=O)[O-],0,GDB ChEMBL
34840,CCC1=CC([NH3+])C2C(C)CCCCC2(C)C1,0,GDB ChEMBL
283226,C#CC(=O)c1c(CCCCCC)ncn1CC,1,GDB ChEMBL
308223,CCCCC(C#N)CC=O,1,GDB ChEMBL
187231,CCC1CC#CC(OC)C(=O)NCC1,0,GDB ChEMBL
80229,N#C[C-](C#N)C(O)C1(O)C[NH2+]CCC[NH+]=C1N,0,GDB ChEMBL
41141,CCC([NH2+]C)C1CC(O)C1,0,GDB ChEMBL
203510,CC#Cc1ccc2c(c1)C=CCCC2,1,GDB ChEMBL
280339,CC#CC([NH3+])C(C)C(=O)OC,1,GDB ChEMBL
346878,COC(C)C1=CCC([NH3+])C(=NCCO)OC1,0,GDB ChEMBL
180859,C#CCCCC(C#N)C(C)C(CC)C(C)CC,0,GDB ChEMBL
102182,N#Cc1cc(CO)cc(I)n1,1,GDB ChEMBL
67357,CC1(C)C=CC(c2ccc(F)cc2)C1,1,GDB ChEMBL
1050,CC(C)Cc1ccc(Cl)c(N)c1CC(F)(F)F,1,GDB ChEMBL
249550,CC(O)C(CC1OC(=N)NC1=O)C(N)=O,0,GDB ChEMBL
148404,CCC1C2CCC(C)(C1C(C)[NH3+])[NH+](C)C2,0,GDB ChEMBL
181408,O=C1C=CC(C(F)(F)F)C2OC2CN1,0,GDB ChEMBL
106024,COC1CC(C)[NH2+]C1C(O)(CC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
281859,CC(=O)C1CN(C)C(=[NH2+])NC(NC(N)=O)=N1,0,GDB ChEMBL
203305,[NH2+]=C1CC(C(=O)OCCO)N1,0,GDB ChEMBL
136678,CC(O)C1NC1(C[NH3+])C(=O)OCC#N,0,GDB ChEMBL
152624,COc1cc(C)c2c(c1F)C([NH3+])CC2,0,GDB ChEMBL
11196,CC(=O)C1CCNC(=O)C1CC#N,1,GDB ChEMBL
171348,Brc1cncc(Br)c1,1,GDB ChEMBL
35429,CC1C[NH2+]CC2(C(F)(F)F)CC1CC2O,0,GDB ChEMBL
238578,CCCC1CC(O)COC(C)(C(N)C(N)=[NH2+])C1,0,GDB ChEMBL
36206,CC1(O)CC2[NH2+]CC2(CC[NH3+])NC1=O,0,GDB ChEMBL
289439,CC#CC1(C(CC)C(C)C)C[NH2+]C1,0,GDB ChEMBL
16065,C#CCC(CC)C([NH2+]C)C1C(O)CC2OC21,0,GDB ChEMBL
229439,CNc1cc(C(=O)NCCO)c(O)[nH]1,1,GDB ChEMBL
377773,CCCC1CC(C)(C[NH3+])C(C)(CC)C1CC,0,GDB ChEMBL
377001,C1=C2COCC2=CCCCC1,0,GDB ChEMBL
170274,CCC(C)(CC)OCCC#N,1,GDB ChEMBL
194251,CC(O)(CC(N)=O)C(F)(F)F,1,GDB ChEMBL
288478,Cc1ccc(CC2(C)CC(=O)CC2C)c(Cl)c1,0,GDB ChEMBL
17624,CC1([NH3+])C(CC(=O)[O-])NC(=O)C(OC=O)C1O,0,GDB ChEMBL
356814,[NH3+]C1CN2C(C(=O)[O-])C1C2c1ccco1,0,GDB ChEMBL
244479,NC(=[NH+]CC(C[NH3+])n1cnnc1)OCCCO,0,GDB ChEMBL
355766,CC12NS(=O)(=O)CCC1NC(=O)C2O,0,GDB ChEMBL
385923,CC1(O)CCOCCC1O,1,GDB ChEMBL
35313,Cc1nc(CO)sc1C#N,1,GDB ChEMBL
196745,CC(=O)c1cccc(CCC(C)C)c1I,1,GDB ChEMBL
70873,C#CC1=CC(C)(C(=O)COC)CC1C,0,GDB ChEMBL
116415,CCNC(=O)C(C)([NH3+])CCOC,1,GDB ChEMBL
349629,COc1nc(N)c(NC(C)=[NH2+])cc1O,0,GDB ChEMBL
127930,[NH3+]Cc1cc(O)c(Cl)cc1CO,0,GDB ChEMBL
361657,C#CC1CC([NH+]=C(N)N(C)CC)C1,0,GDB ChEMBL
26906,CCC1CCCC(C(C)[NH2+]C)C1(C)CC,0,GDB ChEMBL
11725,[NH3+]C1CC2C(=O)NC(=O)C23CNC(=O)NCC13,0,GDB ChEMBL
210766,CC([NH3+])C(C(=O)[O-])C([NH3+])C(O)C(N)=O,0,GDB ChEMBL
169466,C[NH2+]C(CC(C)O)C(=O)[N-]S(=O)(=O)C#N,0,GDB ChEMBL
387031,C[NH2+]C1C(C)CC12CC[NH2+]CC(CO)O2,0,GDB ChEMBL
38153,[NH3+]C1C(c2ccc(=O)[nH]c2)CC(=O)N2CC12,0,GDB ChEMBL
215881,CC(OC(=O)N(C)C(=N)N)C(O)C#N,1,GDB ChEMBL
20780,NC(=O)N1C2CCC1CC2,1,GDB ChEMBL
21525,CC1C[NH2+]C2COCC3CCCC3C(=O)C12,0,GDB ChEMBL
392245,C#CC([NH3+])C(C(=O)NC)C(C)(O)CCC[NH3+],0,GDB ChEMBL
230251,CC(=[NH2+])NCC(CO)(CC[NH3+])S(N)(=O)=O,0,GDB ChEMBL
290291,CC(O)C(N=c1ccn(C)nn1)C(=O)[O-],0,GDB ChEMBL
284733,CCC1Cc2c(Br)ccc(Br)c2CCC1C,1,GDB ChEMBL
117454,NS(=O)(=O)CCCC(O)C1OCC1[NH3+],0,GDB ChEMBL
39666,N#CC1C(=NO)C2CC2C(=O)N1C(=N)N,0,GDB ChEMBL
64664,CC1CC(C)C2C(O)C2C1CC[NH3+],0,GDB ChEMBL
237981,CN=C1OCC[NH+](C)CCC=C1C,0,GDB ChEMBL
218312,COc1nc(NC(C)=O)c(=O)n(C)c1Cl,1,GDB ChEMBL
259082,C#CC1=CC(CCC)C=CCCCC1,1,GDB ChEMBL
31047,NC(N)=[NH+]c1onc(CC(=O)[O-])c1CO,0,GDB ChEMBL
322820,CC1(C(=O)[O-])C(C[NH3+])C(O)C2OC21CO,0,GDB ChEMBL
190317,CNC(=O)N1CC2CC1(C)C[NH2+]2,0,GDB ChEMBL
238154,C#CCC1([NH2+]C)CC[NH+]2CCC1CC2,0,GDB ChEMBL
148779,CCC1=CC(C[NH3+])OCCC(C)OC1=O,0,GDB ChEMBL
395131,CC#CCCC1(C)Cc2ccccc2C1,1,GDB ChEMBL
238583,C=CCC1COC2CCC(C)C2O1,1,GDB ChEMBL
20121,O=C1OCC2C3CC4CCC2N4C13,0,GDB ChEMBL
286138,C#CC1[NH2+]CC(O)C1C(C)C,0,GDB ChEMBL
250652,CC#CC1(CC(=O)NC(=O)OC)OCCO1,1,GDB ChEMBL
50883,C#CC(C#CC(C)[NH3+])C[NH2+]CCC,0,GDB ChEMBL
125675,CCOC1=NC2CCC1C2,1,GDB ChEMBL
361629,CC1=CCC2COCC[NH+]2C1,0,GDB ChEMBL
105981,CCCC(C)C1C2C=CC(C2)C1C(C)(C)C,0,GDB ChEMBL
358088,NCCN(C=[NH2+])C(CO)CO,0,GDB ChEMBL
306298,CCCC1C(C)C1(C)CCCCC(C)C,0,GDB ChEMBL
94901,CC12CC(O)C(O1)C(=[NH2+])NCC2C(=O)[O-],0,GDB ChEMBL
65609,C[NH2+]CCC1(c2cc(C)ccc2Br)CC1,0,GDB ChEMBL
218357,COC(C[NH3+])C(CC([NH3+])CO)C([NH3+])C(C)O,0,GDB ChEMBL
71268,CC1(C)CC2Cc3ccc(F)cc3CC[NH+]1C2,0,GDB ChEMBL
376070,O=C1NCC2C(=O)OC1CS2(=O)=O,0,GDB ChEMBL
80478,CC1[NH2+]C2C(=O)NCC2C1O,0,GDB ChEMBL
274018,CC(O)C1[NH2+]C2C1CNCC2N(C)CCO,0,GDB ChEMBL
316319,C[NH2+]C(C)C1CC2CC1C[NH2+]2,0,GDB ChEMBL
379380,Cc1cc(CCCn2cnc(O)n2)on1,1,GDB ChEMBL
303350,COc1c(N)nc(O)c2cnoc12,1,GDB ChEMBL
275659,CCC1CC2(NC)CCCCC(C[NH+]=C2N)[NH2+]1,0,GDB ChEMBL
304285,CCC#CC1(C)CCC(O)C1[NH+](C)CC,0,GDB ChEMBL
71985,CC[NH2+]C(CCC1(C)CC=CC1)C(C)C,0,GDB ChEMBL
397972,COC(C)C[NH+]=CNCC(O)CCC(N)=O,0,GDB ChEMBL
377919,CC1CCC(C)C2(C1)CC(C[NH3+])CCO2,0,GDB ChEMBL
307477,CC1C=CC(CCC(N)=O)C1,1,GDB ChEMBL
210205,CC(C[NH3+])(CCO)NC1COC1,0,GDB ChEMBL
322915,CCCCC(C)Oc1cc(I)cc(C#N)c1O,1,GDB ChEMBL
362174,CC[NH2+]CC(C[NH3+])OC(=O)NC(=N)CCC[NH3+],0,GDB ChEMBL
334395,CN1CC2C([NH3+])C(O)C1C[NH2+]C21CC1,0,GDB ChEMBL
317340,CCC(C(N)=[NH2+])C(C)(C)OC,0,GDB ChEMBL
148876,C=CC1(CC)C(C)CCC1C(C)O,0,GDB ChEMBL
70764,CNC(=O)C1N=C2NC(=O)CN2C1C1CO1,0,GDB ChEMBL
179475,CC[NH2+]CCc1ccc(Cl)c2c1C[NH2+]C2,0,GDB ChEMBL
214400,Cc1cncc(N)sc(C)c(CC(=O)[O-])n1,0,GDB ChEMBL
186640,O=C1CC2C(=O)NCCN2C1,1,GDB ChEMBL
378104,COC(C(N)=O)C1N(C)C(N)=[NH+]CC1(N)CO,0,GDB ChEMBL
382949,CC1C(CC(C)(C)CO)C2C[NH2+]C1C2CC[NH3+],0,GDB ChEMBL
17566,Cc1c(CC(F)(F)F)nn(C)c1N,1,GDB ChEMBL
121124,N#CCC(CCC(=O)[O-])[NH+]1CCCC1,1,GDB ChEMBL
88145,CC12C(C(=O)[O-])CC(OC1S(C)(=O)=O)C2O,0,GDB ChEMBL
184624,C[NH2+]C(C)C1(CO)CC1,1,GDB ChEMBL
311337,O=C1N2CC=CC2C2C[NH2+]CC1(CO)C2O,0,GDB ChEMBL
176427,CC1CC=CC#Cc2ccc(c(F)c2)C1,1,GDB ChEMBL
44941,CC(CO)n1c(=[NH2+])[nH][c-](C#N)c1=N,0,GDB ChEMBL
307872,CC(C)C#CC1CC2(CCCC2)C[NH2+]1,0,GDB ChEMBL
334462,N#CC12COC3CN(C3)C1COC2=O,0,GDB ChEMBL
288666,Cc1ncc(C=O)c(CC(C)[NH2+]CCO)c1N,0,GDB ChEMBL
6546,C#CCC(C)C(=O)CC(C)(C)C,1,GDB ChEMBL
208571,CCc1c(C)cc(=O)cc2c1C1CCC2CC1,0,GDB ChEMBL
68500,COC(=O)C1C2C[NH2+]C1C(S(=O)(=O)[O-])O2,0,GDB ChEMBL
8709,CC1C2CCOC(CC(O)C2)C1C(F)(F)F,0,GDB ChEMBL
311354,CN1CCC([NH+]2C3CC2CC(C)(C)C3)C1,0,GDB ChEMBL
390483,CCCC1C2COCC(=O)NC12,0,GDB ChEMBL
355362,Cc1c(C(C)C)cc(I)c(CCCC#N)c1C,1,GDB ChEMBL
218331,COC(CC[NH3+])C(C)(C#N)C(N)C(=O)[O-],0,GDB ChEMBL
233406,CC([NH3+])C(=O)NC=NCCOC(N)=O,1,GDB ChEMBL
248650,CC(C)C1C(N)=[NH+]C2C(=O)COC(=O)C2C1O,0,GDB ChEMBL
5015,CCC1C(O)C2[NH2+]CCC1C2NC=O,0,GDB ChEMBL
70321,C#CC(C#C)C[NH2+]CC(C)O,0,GDB ChEMBL
190248,CCc1c(F)coc(=O)c1CC[NH3+],0,GDB ChEMBL
350887,Cc1ccc(C=O)c(C#N)c1Cl,1,GDB ChEMBL
375906,N#CC1CC(N)C2[NH2+]CC1C2O,0,GDB ChEMBL
24245,CC1C=CCCC(C)(CC#N)C1,0,GDB ChEMBL
305814,C#CC(C=O)C(=O)C(C)N1CC(O)C1,1,GDB ChEMBL
273664,C1CCC([NH2+]C2CCC2)C1,0,GDB ChEMBL
362185,C#CC([NH3+])CCCC(O)C(C)C1(O)CCC1,0,GDB ChEMBL
31325,CCN(C)C(C)=[NH+]C1CNC1,0,GDB ChEMBL
137430,C#CC1[NH2+]C(CO)C(C)C1CO,0,GDB ChEMBL
227799,CC1CCC2NC(=O)C1C2C=O,0,GDB ChEMBL
354617,N#CCCc1ncc(O)ccncs1,0,GDB ChEMBL
203578,CC1C2C=CC1(C)c1cc(F)ccc12,0,GDB ChEMBL
235512,CC(=O)OC1OC2C(O)C2([NH3+])C1CC(=O)[O-],0,GDB ChEMBL
170269,NC(=O)COc1c(N)cc2nncc-2nc1O,0,GDB ChEMBL
156719,C#CCN(C)C(C#C)(CO)C(C#N)OC,0,GDB ChEMBL
337443,CCCN1CC2(O)CC2(C[NH3+])OC1=O,0,GDB ChEMBL
120353,[NH3+]Cc1ccc(CO)c(F)n1,1,GDB ChEMBL
350682,CCCN(C)c1cc(=O)cccc1CC,1,GDB ChEMBL
324327,NC(=[NH2+])C1(N)COC(N)=NC(C(=O)[O-])C1,0,GDB ChEMBL
203169,CN1C2C3CC(O)C21CNC3=O,0,GDB ChEMBL
134417,Cc1cc(C2(C(C)C)CC2C)ccc1F,1,GDB ChEMBL
135421,Cc1cccncc([O-])c(C[NH3+])nc1C,0,GDB ChEMBL
243781,C[NH2+]C1CNCCc2nccc(Cl)c2C1C,0,GDB ChEMBL
97207,CCNC(=[NH2+])NCCNCC[NH2+]C1CCC1,0,GDB ChEMBL
221332,CC(N)=[NH+]C(CN)C(O)C(C)C,0,GDB ChEMBL
255458,CN=C1C(OCCC#N)CN1C(C)=O,0,GDB ChEMBL
31422,CN1CC(=O)NC2=NCCC([NH3+])(C1=O)C2N,0,GDB ChEMBL
310145,Cn1ncc2c1NC(CO)COCC(C=O)N2,0,GDB ChEMBL
16029,C#CC(CC)C(C)Cc1ccc(C)c(Cl)c1N,1,GDB ChEMBL
50272,C#CC1[NH2+]C(C)(CC)CC1CC,0,GDB ChEMBL
173856,N#C[C-](C(N)=O)C(O)(CC[NH3+])CC(N)=[NH2+],0,GDB ChEMBL
350909,O=C1OC2CS(=O)(=O)[N-]C1C2O,0,GDB ChEMBL
227281,CC([NH3+])C(=O)NC(C[NH3+])S(=O)(=O)[O-],0,GDB ChEMBL
150087,CCOC(=O)N1C(C)C(O)C2C([NH3+])C21,0,GDB ChEMBL
236673,C[NH2+]CCC12NC(=O)CC(C)CC1C2C,0,GDB ChEMBL
19624,C#CCC(C1COC1)[NH+](C)C,0,GDB ChEMBL
368224,CCC(=O)CNc1c(C)cc(I)cc1C,1,GDB ChEMBL
45680,[NH2+]=C1C2OC(=O)CCC(=O)NCC2C2CN12,0,GDB ChEMBL
389100,O=CC1CS(=O)(=O)N2CC(O)CC12,0,GDB ChEMBL
201726,CC1C(NS(C)(=O)=O)C1[NH+]=C(N)N,0,GDB ChEMBL
194778,CC1=CCOC(CCC#N)C1,1,GDB ChEMBL
191385,CN1C=NCCC(O)(CC#N)C1=O,0,GDB ChEMBL
391663,CC(=O)C1[NH2+]C2COCC1CCC2C,0,GDB ChEMBL
70172,NC(=O)C([NH3+])C1CC([NH3+])(C(=O)[O-])CN2CC12,0,GDB ChEMBL
101927,Nc1cc(C(=O)C2COC(=O)N2)nc(=O)cn1,0,GDB ChEMBL
222814,O=CC12CNC(C(=O)N1)C(NC(=O)CCO)C2,0,GDB ChEMBL
375547,CCC12CC(C)C[NH2+]C1C2CCC(=O)[O-],0,GDB ChEMBL
376659,CC1=CCC(C(N)=O)OC(C)(C)CC1C[NH3+],0,GDB ChEMBL
120670,CCCC(=O)C[NH+](CCC)CC1CC(C)O1,1,GDB ChEMBL
363209,CC1CN1CC1CC1([NH3+])C(=O)[O-],1,GDB ChEMBL
18386,C#CC(CNc1c(C)cc(CC)n1C)C(C)C,1,GDB ChEMBL
235571,CN=C(CO)NCC(=O)NC(=O)NC,1,GDB ChEMBL
112657,CCC(=O)C(C)CCC(C)O,1,GDB ChEMBL
265294,COC1C2([NH3+])COC1(C(=O)[O-])C2CC#N,0,GDB ChEMBL
249494,COCC1C=C(C)C2(CC2)O1,0,GDB ChEMBL
348570,CCOC(=O)C(C)Cc1c(Cl)cccc1C[NH3+],1,GDB ChEMBL
318048,C#CC(C=O)C(NC=O)C(N)=O,1,GDB ChEMBL
59224,CC1=CC2CC3CCCC(C)C3C2(C)C1,0,GDB ChEMBL
285132,CN(C)C(=[NH2+])NC(=N)OCC(=O)[O-],0,GDB ChEMBL
366477,CC1C(OC(N)=O)CC2C(CO)C12,1,GDB ChEMBL
343254,COC(C(N)=O)C1=C(CO)NCCCC1=O,0,GDB ChEMBL
279245,CCN(C(=O)C1CC(C)(O)C1)C1CC1,1,GDB ChEMBL
317610,CC(c1cnc[nH]1)C1(CCC[NH3+])CC1,0,GDB ChEMBL
390505,COCC1C(C)C1C#N,1,GDB ChEMBL
263856,CCC1C=CCC2CCC(CCO1)C2,1,GDB ChEMBL
48124,CCC1C2CC2C2CC2C1C(C)O,0,GDB ChEMBL
148950,COCC1=Cc2cccn2CC(C)C1,1,GDB ChEMBL
292970,CC1(O)CC2COC(O2)C(NCC[NH3+])C([NH3+])C1,0,GDB ChEMBL
234449,CC1CC(O)C2CC(C)(O)CCNC(=N2)O1,0,GDB ChEMBL
62055,C=CC(CC)C1C(O)CCC1C=C,1,GDB ChEMBL
298934,CCC[NH+](C)C1(C(C)CO)CC(=N)OC1CC,0,GDB ChEMBL
223503,CCC1(CCC(N)=[NH+]C(C)C)CC1,0,GDB ChEMBL
41605,CCC([NH3+])C1(O)CC(C)C2CC1OC2=O,0,GDB ChEMBL
153713,Cc1ccc(F)c(NC2CC2)c1,1,GDB ChEMBL
235929,N#Cc1n[n-]c(OCC[NH3+])c1[N+](=O)[O-],0,GDB ChEMBL
108715,CCC1(C)C(C[NH3+])(NC(N)=O)C1(O)C(=O)[O-],0,GDB ChEMBL
261465,CCC1C(O)C(C[NH3+])C[NH+]1C,0,GDB ChEMBL
27826,C=C(C)C(CC(C)CC)C([NH3+])CC,0,GDB ChEMBL
12829,NC1C(=O)OC(C(=O)[O-])C(O)C([NH3+])C1O,0,GDB ChEMBL
23446,CC(O)C1C2NC(=O)NC21C(N)=O,0,GDB ChEMBL
332345,NC(=O)C1([NH3+])C(C(=O)[O-])C1C(O)C(O)C[NH3+],0,GDB ChEMBL
334648,COC1C(NC(C)C)=CC(=O)C1O,1,GDB ChEMBL
383321,CC(C#N)C(=O)N1C(=O)C=CC2(O)CC1C2,1,GDB ChEMBL
375160,CCCCC1CC2C3C(CCCO)=CC1C23,0,GDB ChEMBL
181024,CC1CC2CC=CCCC(=O)N2C1C,1,GDB ChEMBL
59181,COCCC([NH3+])C1CC2CC1(C)C2CO,0,GDB ChEMBL
214734,C#CCC(OC)C(OC1CC1)C(C)C,1,GDB ChEMBL
120700,CC1[NH+](C)CC2C([NH3+])C21C(=O)[O-],0,GDB ChEMBL
176545,CCC#CC1NCc2c1ccc(F)c2F,1,GDB ChEMBL
79243,OC1CC2CCOC(C[NH2+]2)C(O)C1,0,GDB ChEMBL
9990,CC(Cc1cc([O-])n[nH]c1=O)[NH2+]CC=O,0,GDB ChEMBL
345776,CCOC(=O)CN1CCC1,1,GDB ChEMBL
124331,COC(CCn1cnnn1)CC(O)C([NH3+])CN,0,GDB ChEMBL
284832,C#CC[NH2+]Cc1cnnc(I)c1CCC,0,GDB ChEMBL
43563,NC1=[NH+]CC(O)C(=O)CCC(C(=O)C(=O)[O-])N1,0,GDB ChEMBL
151834,CCOCCCCC([NH3+])C12CCCC1[NH+]=CN2,0,GDB ChEMBL
6055,CCCC(OCc1ncnn1C)S(N)(=O)=O,0,GDB ChEMBL
110238,C[NH2+]CC([NH3+])C(C)Cc1ncc(=O)[nH]n1,0,GDB ChEMBL
111524,CC#CCCC1C=CCCCCC1,1,GDB ChEMBL
108712,CCC[NH+]1CC2(C)C(C)CC1C2(C)CC(C)C,0,GDB ChEMBL
33831,COC1CC(C[NH3+])C2N(C(C)C1)C2(C)C,0,GDB ChEMBL
204162,CC1CC2CN(C2)c2ccc(Cl)nc2C1C,0,GDB ChEMBL
191674,CCC1C(OC)C2CC2C1C(C)(C)CC,1,GDB ChEMBL
101932,CC1=CC2(C#N)NC(C)CC2(OC(N)=O)C1,0,GDB ChEMBL
126935,C=CC1CC([NH2+]C)C2(CC)CN1C2,0,GDB ChEMBL
141696,CC1C2CNC(=O)CC(O)C([NH3+])C1O2,0,GDB ChEMBL
337385,C#CC1CCC(C)C(CC)C1CCC,0,GDB ChEMBL
386510,C1=Cc2coc(c2)CC[NH2+]CCC1,0,GDB ChEMBL
46888,C#CCc1cc(CC#CC)nc(N)n1,1,GDB ChEMBL
156062,CC1COC(C(=O)CCCO)(C(=O)N(C)C)C1,0,GDB ChEMBL
350290,CC(O)C1C2CN(C)C(=O)N21,0,GDB ChEMBL
70858,Cc1cc(Cl)c2c(Cl)cc(Cl)cc2c1Cl,1,GDB ChEMBL
319365,O=S1(=O)NC(c2cnccn2)C(CO)O1,0,GDB ChEMBL
130477,CC(C)[NH2+]CC1OC(C(N)=O)CC1NCC#N,0,GDB ChEMBL
4909,N=C(N)NC(=O)C1(NC=O)CC1CO,1,GDB ChEMBL
197083,CC1=C(C)CC2CC2c2cc(F)ccc2C1,1,GDB ChEMBL
147401,C#CC(C)c1cc(CC([NH3+])C(C)C)ncc1C,0,GDB ChEMBL
222557,N=C1CNCCC(=O)N1C(=O)Cn1cnnn1,1,GDB ChEMBL
390542,C#CC[NH+](C)C(CO)CCC=CC,0,GDB ChEMBL
312253,CNC(=N)NC(=O)N1CC(=O)NC1=O,1,GDB ChEMBL
3820,CCC1(C[NH3+])CNC(=O)O1,1,GDB ChEMBL
206844,CCCC1(CO)OC1C(C)=O,0,GDB ChEMBL
177114,NC(=O)C1([NH3+])CCC(=O)OC1CO,1,GDB ChEMBL
334419,N=C1NCC2([NH3+])CC(C2)C(=O)N1,0,GDB ChEMBL
120011,CCC1C(=O)C(C)(C)CC2CC(C)C1C2,0,GDB ChEMBL
127724,CCNC(=O)CC(O)C(N)(C#N)C(O)C(=O)[O-],0,GDB ChEMBL
271489,CCN1C2COC(C(=O)[O-])CC(=O)C21,0,GDB ChEMBL
83090,CC1OC(=O)CC1C1CCC2(CCCO2)CC1,0,GDB ChEMBL
113503,CCc1ncnc(O)c1N,1,GDB ChEMBL
242610,CCCC12CCC=C(C)CC1C2,0,GDB ChEMBL
248887,NC(=O)NCC1CC([NH3+])C(C(=O)[O-])CN1C=O,0,GDB ChEMBL
279943,N#CCNC12CCC(CC1)C2,1,GDB ChEMBL
300703,C#CCn1ccccc(C(C)CCC)ccc1,0,GDB ChEMBL
174840,C#Cc1ccccc1CC12CCC(C1)C(C)C2,0,GDB ChEMBL
300137,CN1CC=CC(=O)C(=O)NC1=O,1,GDB ChEMBL
283946,CCC(C(N)=[NH2+])(C(=O)[O-])C(=O)NC=O,0,GDB ChEMBL
280987,COC(=O)CC1=[NH+]C(C(=O)[O-])CN1,0,GDB ChEMBL
244355,CCCC1CC2=CC(C)CC2(O)C(C)[NH2+]1,0,GDB ChEMBL
284262,CC1(CC[NH3+])NC(=O)OC2COC1OC2,0,GDB ChEMBL
198629,CC1COCC(CO)C(CS(=O)(=O)[O-])[NH2+]1,0,GDB ChEMBL
230753,CC1CC2CCCC2(C)C(C)C(O)C1C,0,GDB ChEMBL
218297,CCC1(C)C(C)CCCC1C(C)CC(C)(C)C,0,GDB ChEMBL
235887,COC1C2C=CC(=[NH2+])NC(C2)C1O,0,GDB ChEMBL
50372,CCC(C)C1CC2CCCC(C1C)C(C)(C)C2,0,GDB ChEMBL
142392,CCS(=O)(=O)NC1C([NH3+])C(O)C(O)C1O,0,GDB ChEMBL
68453,COCCC12CC(C3CCC[NH2+]3)C(CO1)O2,0,GDB ChEMBL
171889,CC1(C([NH3+])CO)CC1C(C#N)NC(N)=[NH2+],0,GDB ChEMBL
273977,COC1COC2CN(C2)C1C#N,1,GDB ChEMBL
81412,CCOC(C)(C)CNC(=O)C(=O)N1CC1,1,GDB ChEMBL
27751,[NH3+]CCc1cc[nH]c(=O)occc1O,0,GDB ChEMBL
122729,NC(=O)C1OC(S(N)(=O)=O)C2C(C(=O)[O-])C12,0,GDB ChEMBL
21906,C#CCC1CCC=CCC(CC)CC1,0,GDB ChEMBL
50280,OC1CC23C[NH+]4CCC2C3CC14,0,GDB ChEMBL
318007,CCCC1([NH2+]C)C(C)C1C[NH3+],0,GDB ChEMBL
101039,CCCc1c(Br)cc(C)cc1CC1([NH3+])CC1,0,GDB ChEMBL
255091,CC(O)C(CO)N=C(N)NC=O,1,GDB ChEMBL
354774,C=CC(C)(C[NH3+])C1(C)CCCC[NH2+]1,0,GDB ChEMBL
124815,Cc1nonc1CC(O)CO,1,GDB ChEMBL
79393,CC1CCC(C)(C)C([NH+]2CCC(C)C2)C1,0,GDB ChEMBL
390089,CCCCc1c(N(C)C)c(C)c(C)n1C,1,GDB ChEMBL
34231,CCCC(O)C1(C[NH3+])CC1C,0,GDB ChEMBL
397966,CC1(C)CCC(C2CC2)[NH2+]C1,0,GDB ChEMBL
207395,CCCCOC1CC2([NH3+])CCC(C2)O1,0,GDB ChEMBL
290138,C#CCOC(=O)C[NH+]1CC(C)CC1(C)CO,0,GDB ChEMBL
317605,C[NH+](C)C1C2CC1C(O)CC(=O)N2,0,GDB ChEMBL
11257,O=CCC1OCCCC(CO)O1,1,GDB ChEMBL
122931,CCC(CN)([NH2+]C)C(=O)N(C)C=O,0,GDB ChEMBL
79495,O=C1NC(CO)CC2(CO)CC2N1,0,GDB ChEMBL
322965,CCC1C(C)CC2C(O)COC12,0,GDB ChEMBL
170281,CNC(=O)NCc1cnc(CO)[nH]1,1,GDB ChEMBL
374006,O=C1CC(O)CC(O)(CS(=O)(=O)[O-])CO1,0,GDB ChEMBL
233457,[NH3+]CCNCC(O)C1CO1,0,GDB ChEMBL
263491,CCC(C)C1[NH2+]CC2CCCC(C)C21,0,GDB ChEMBL
260181,C#CC1=CCC(CCC)CC=C(C#C)C=C1,0,GDB ChEMBL
231151,CCC1=CC2CC(C)CCC([NH3+])C2C1,0,GDB ChEMBL
36146,CN(C)C1=[NH+]C(C(=O)[O-])CCN1,1,GDB ChEMBL
59640,CS(=O)(=O)[N-]C(=O)COCCC(O)C=O,0,GDB ChEMBL
184083,CC1NC(=O)OCC2([NH3+])CC2C1C,0,GDB ChEMBL
134780,COCC1C=CC(O)COC2(C[NH2+]C2)C1,0,GDB ChEMBL
288731,CCCCC1(O)CC(=O)N2CC([NH3+])C=C2C1,0,GDB ChEMBL
208304,C#CC(O)C(C)[NH2+]C(C)c1ccc(O)c(Cl)c1,0,GDB ChEMBL
161016,CCc1c(Br)cc(Br)nc1CC[NH2+]C,0,GDB ChEMBL
286986,CCc1c2c(c(Br)c(C)c1N(C)C)C(C)CC2,1,GDB ChEMBL
157475,CCCCC(C)C1(C2CC=CC2)CC1,1,GDB ChEMBL
252880,CCCC(C)CC1(C[NH+](C)CC)CCCC1,0,GDB ChEMBL
395936,CCC(CO)C1(C)C[NH2+]CC(C#N)CC1C[NH3+],0,GDB ChEMBL
252873,C#Cc1cc2c(cc1Cl)CCCNC2=[NH2+],0,GDB ChEMBL
33558,CC(=O)N1C(C#N)C1C(O)CC(O)C[NH3+],0,GDB ChEMBL
120358,N#CC1(N)CNC2CC1CCC2[NH3+],0,GDB ChEMBL
47573,C1#CCc2cccn2Cc2ccc(nc2)C1,0,GDB ChEMBL
319826,CC1CC2C(C(O)C(=O)N1)N2C,0,GDB ChEMBL
48737,C[NH2+]C(C)C1C(N)(C[NH3+])C1(O)C(N)=O,0,GDB ChEMBL
225048,CCc1ccc(NC=[NH2+])c(O)c1,0,GDB ChEMBL
195353,NC(=O)C1C2CCC([NH3+])C21,1,GDB ChEMBL
195284,CC1C2CC3C(CC[NH+]13)C2O,0,GDB ChEMBL
185953,CCc1nc(CCC#N)sc1C,1,GDB ChEMBL
186044,CC1(C)CCOC(=O)C=CC(=NO)C(=O)N1,1,GDB ChEMBL
132673,CCC(CC)C1=CCC(C)(CC)CC1,1,GDB ChEMBL
107705,Cc1ccc2c3c1CCC3[NH2+]C2,0,GDB ChEMBL
288634,Cc1[nH+]c(N)cc(=N)cc1CO,0,GDB ChEMBL
148524,CC1=CCC2(CC2)CC2CC(C1)C[NH+](C)C2,0,GDB ChEMBL
77266,C[NH2+]C1C(OS(N)(=O)=O)COC1OC,0,GDB ChEMBL
140111,CC(COC(N)=[NH2+])C(CO)NC=O,0,GDB ChEMBL
89126,CC([NH3+])CC(=O)N1C(=N)C(O)C(O)CC1C[NH3+],0,GDB ChEMBL
32035,CC1=C(N(CCO)S(C)(=O)=O)C(=O)C(=O)N1,0,GDB ChEMBL
214404,COCC(Cc1nnnc(C)n1)C(C)=NO,0,GDB ChEMBL
174920,NC(=O)N1C2CCNCC(O)CS(=O)(=O)C21,0,GDB ChEMBL
219522,Cc1ccc(OC(C)(C[NH3+])C(C)C)c(C)c1C,0,GDB ChEMBL
368186,CC(C)c1ccc2c(c1Br)CCCCC2C,1,GDB ChEMBL
124272,CNC(=O)CC(C)C1CC1,1,GDB ChEMBL
301446,COC(=O)NC1C(C)NC1(C#N)C#N,0,GDB ChEMBL
204628,CC1N2c3ccnn3C3(CO)CNC(=O)C123,0,GDB ChEMBL
59212,CCC1C(=O)C(CO)C1(C)C,1,GDB ChEMBL
200592,CC12CNC(=O)C(=O)C(CC1O)NC2,0,GDB ChEMBL
228380,C[NH2+]CCCC(C(C)=O)n1ccnc1,1,GDB ChEMBL
309828,COC1OC(=O)C23CC([NH3+])C(=O)N2C13,0,GDB ChEMBL
155173,C#CCC1CC(C)C2CCC(O)C1C2,1,GDB ChEMBL
366484,Cc1cc(Cl)c(C)c(Cl)n1,1,GDB ChEMBL
159890,O=C1NCC#CC2CC(C2)N1,0,GDB ChEMBL
221376,CC(C)CC(=O)C(C)(C)C1(CO)CCCCC1,1,GDB ChEMBL
249836,NC(=O)C(CC(=O)CO)n1cncn1,1,GDB ChEMBL
337083,CC1(C(O)C(N)=O)NC1CC1CCCC1,0,GDB ChEMBL
106597,O=C([O-])C1NC2C(=O)C1OC2CO,0,GDB ChEMBL
378926,C[NH2+]C1CC(CO)CCC2CN(C)C(C[NH3+])C21,0,GDB ChEMBL
131656,N#Cc1cc(-c2cc(CCC(=O)[O-])cs2)cs1,1,GDB ChEMBL
305367,C[NH2+]CC1CC2CC(OC)C(C)C1(C)C2,0,GDB ChEMBL
376060,CC1C(O)C(=O)NC2CC(C=O)C1C2,0,GDB ChEMBL
385439,CN(CCC(=O)[O-])C(=[NH2+])C1(N)CNC1(C)C,0,GDB ChEMBL
26812,CC1=CCC2C(=O)[N-]S(=O)(=O)CC1C2O,0,GDB ChEMBL
3964,NC1=[NH+]C2C(=O)NCCC(=O)C2N1,0,GDB ChEMBL
18708,CCN(CC[NH3+])CCC(C(C)O)S(N)(=O)=O,0,GDB ChEMBL
394293,CC(=O)NC(=O)C(N)c1nnn(C)n1,1,GDB ChEMBL
281032,N=C1NC(=O)C([NH3+])(C(=O)[O-])C12CC2,0,GDB ChEMBL
33872,CCC(=O)OC1CC(=O)NC2(C[NH2+]C2)C1,0,GDB ChEMBL
312551,C=CCC(C)=CCCC(C[NH3+])OC,0,GDB ChEMBL
60648,C=CCCC1C(CCC)C1(C)C#N,0,GDB ChEMBL
127203,C[NH+]1CC2=CC(C1)OC(=O)NC(=O)C2,0,GDB ChEMBL
247384,C[NH2+]CCC1C(C)C1(C)C([NH3+])C(C)CO,0,GDB ChEMBL
257541,C[NH2+]C1C(=O)C2(O)COCCC(C)C3C1C32,0,GDB ChEMBL
319830,NC(=O)NC1C(=O)COC1C1C[NH2+]C1,0,GDB ChEMBL
40299,CC1(C)CC2=CC[NH2+]CC[NH+]1C2,0,GDB ChEMBL
339098,C#CCC([NH3+])CC[NH+]=c1[nH]ccc(N)c1O,0,GDB ChEMBL
103527,CC[NH2+]Cc1c(N)cccc1N,0,GDB ChEMBL
337418,CC1=[NH+]C2CCCCC2C2(CCC2)CN1C,0,GDB ChEMBL
164704,NC(=[NH2+])NC1C2CC(O)C13CN2C3,0,GDB ChEMBL
141785,CCCC1CC2CC3CCCCC(C)(C3)C2C1,0,GDB ChEMBL
204154,CC1CC2CC([NH3+])(COC(=O)N2)C1,0,GDB ChEMBL
50284,COCC#CCC12CC=CCC(CC1)CC2,1,GDB ChEMBL
142939,CCOCC(=O)OCC[NH2+]CC=O,1,GDB ChEMBL
78354,CCC1Oc2nsnc2C12CC[NH+](C)CC2,0,GDB ChEMBL
258681,CC1NC(CO)CS(=O)(=O)NC1C(=O)[O-],0,GDB ChEMBL
395107,O=C1CCCC2C(O)C2NS(=O)(=O)CCN1,0,GDB ChEMBL
31751,CC1C=CC(C)(O)CCCC1,1,GDB ChEMBL
148377,CC1(C=O)C2C1[NH+]1CCCN2CCC1,0,GDB ChEMBL
207309,CC(=O)CC1NC1CNC(C)=O,0,GDB ChEMBL
274586,CC1CNCC2OC(C)CC([NH2+]1)C2O,0,GDB ChEMBL
225810,CC1CCC(=[NH2+])NC(C)C1C,0,GDB ChEMBL
61673,NC(=O)CCN1CC2C1CNS2(=O)=O,0,GDB ChEMBL
28351,CCC(=O)N1CC(O)CC(=NO)C=C1C(=O)[O-],0,GDB ChEMBL
90281,CCCC1C=CC(C(C)[NH2+]C)CC1(C)C,0,GDB ChEMBL
246934,C#CC(C)CC(=O)C[NH2+]CC,0,GDB ChEMBL
259400,C#CC1=CC(CO)C([NH+]2CCC3(CC3)C2)C1,0,GDB ChEMBL
291515,CCCC1CC2(CCC(C(C)C)CC2=O)CO1,0,GDB ChEMBL
23439,CCC#CC(C)c1ccc(CO)c(Cl)c1C,1,GDB ChEMBL
227558,CCCNC(=N)S(=O)(=O)N(C)C(=O)N(C)C,1,GDB ChEMBL
386429,CC1CC(=O)CC[NH2+]C(CCO)CC(N)=[NH+]1,0,GDB ChEMBL
234239,CCC1(C)OC(=N)C(O)C1C(=O)CCC(N)=O,0,GDB ChEMBL
358927,CCCC[NH2+]CC1([NH3+])CC(C)(C)C1,0,GDB ChEMBL
354048,CCC12CC(O)C(C(=O)O1)C2C(=O)C(N)=O,1,GDB ChEMBL
377342,CC(C)C1COC(N)=[NH+]CCC1(C#N)C[NH3+],0,GDB ChEMBL
39800,Cc1c(NC=NCCO)cc(C[NH3+])c(Cl)c1O,0,GDB ChEMBL
274164,CCC1C2c3ccc(C)cc3C1C1CCC12,0,GDB ChEMBL
156751,CS(=O)(=O)C1C2[NH+]=C(N)NC21C(=O)[O-],0,GDB ChEMBL
34733,CCN(C)C(C=O)C(C#CCC[NH2+]C)=N[O-],0,GDB ChEMBL
147226,CCC(NC(C)C)C(F)(F)F,1,GDB ChEMBL
379424,CCC[NH2+]C1C2CC3C=CC2CC31,0,GDB ChEMBL
235534,CC(N)C(=O)OC1CC1,1,GDB ChEMBL
305782,NC(=O)OC1C2OC(C(=O)NC2=O)C1O,1,GDB ChEMBL
23584,CNC(C[NH3+])C1NC2CC2CNC1=O,0,GDB ChEMBL
336641,CC(C)C1OCCC(C)C1O,1,GDB ChEMBL
112453,CCCCC1C(=O)C(CC)C1O,1,GDB ChEMBL
109548,CCC1Cc2ccc(I)cc2C2C(C)C12,0,GDB ChEMBL
13760,CC1([NH3+])CC(CC([NH3+])CN)C[NH2+]CC1CO,0,GDB ChEMBL
100680,CC1C=CC=CC2C(C1)C1CCC2C12CC2,0,GDB ChEMBL
391434,CC#CC1(CC)C[NH+]2CCCCCC21,0,GDB ChEMBL
220181,CC1[NH+]=C(N)OC2C1CC(O)C2OC(=O)CN,0,GDB ChEMBL
175537,C[NH2+]CC(C)Oc1ncc(OCCO)s1,0,GDB ChEMBL
83523,COC(CO)C(C)C(=N)OC(C)=O,1,GDB ChEMBL
278890,CC(=O)OC(C(N)=[NH2+])C(C)C([NH3+])C(C)C,0,GDB ChEMBL
347913,CCC1CC12CCCCCCC2,1,GDB ChEMBL
362178,CC([NH3+])C1CC(O)C(O)CN(C(N)=[NH2+])C1CO,0,GDB ChEMBL
127693,CCCC1CC(C)(C(C)CC)CC1C(C)CC,0,GDB ChEMBL
98855,CC1C([NH3+])C(C(N)C[NH3+])C(O)C(=O)N1C(=N)N,0,GDB ChEMBL
206962,C1=CC2CC(C1)OCCC1CC[NH+]2C1,0,GDB ChEMBL
134761,[O-]c1nc(C2CCC2)n[nH]1,0,GDB ChEMBL
124756,CNc1cc2c(nc1Cl)C1CC(C1)O2,1,GDB ChEMBL
148898,CNC1C(N)(C[NH3+])C1(CO)NC(=O)CO,0,GDB ChEMBL
61709,CCC(C)C1CCC(O)C(C)C2=CCCC21,0,GDB ChEMBL
180810,CC1=CC(C)C2CC(C)(CCCC2C)C1,0,GDB ChEMBL
345832,CCC1=CCCC(=O)NCCC(O)(C#N)C1,0,GDB ChEMBL
238539,CC1[NH2+]C(C(N)=O)C(O)C2(C=O)CC12,0,GDB ChEMBL
309618,CCc1cncc(CC(C)CC(C)(C)C[NH3+])c1,0,GDB ChEMBL
354367,CC(O)C(CC(O)C=O)OCC(N)=O,1,GDB ChEMBL
245540,C#CCCCC1(C)CC(CCC[NH2+]C)C1,0,GDB ChEMBL
186550,CCc1c2c(nccc1=O)C[NH2+]CC(C)C2C,0,GDB ChEMBL
304643,CC#CC1(C(=O)[O-])OCC1NCC=O,0,GDB ChEMBL
305368,CC(C)C12C(=CCC1O)CCC2C[NH3+],0,GDB ChEMBL
203295,CCC1C2CN1c1c(C)cc(Br)cc12,0,GDB ChEMBL
351343,COC(=O)NC1C(NC=[NH2+])C1(C)CO,0,GDB ChEMBL
378091,C[NH+]=C(N)C(C)(COCCNC(N)=[NH2+])OC,0,GDB ChEMBL
259613,CC#CC1C=CC=CCC[NH+]1C,0,GDB ChEMBL
317320,CCCC1CC2(C)C(O)CC3OC32CC[NH2+]1,0,GDB ChEMBL
278136,CC1C2CC3CCCC3C1C[NH2+]2,0,GDB ChEMBL
37289,C#CCC(CO)C1(CC)CC(C)C(C)C(C)C1,0,GDB ChEMBL
152503,C[NH+](C(C)(C)CO)C1(C(N)CO)CC1,0,GDB ChEMBL
26377,CCC1(CCCC[NH3+])CCC1,0,GDB ChEMBL
380311,N#CC(O)(C(N)=O)C1NCC(=O)NCC1O,0,GDB ChEMBL
120547,CC1C2NC(=O)NC(CO)C12,0,GDB ChEMBL
304353,Cn1cc(NC(C#N)C(=N)NC(N)=O)cn1,0,GDB ChEMBL
241095,CCCC1([NH2+]CCN)CC1,0,GDB ChEMBL
267934,CC(=O)C1(O)CNC(=O)NC1,1,GDB ChEMBL
261395,CCC(CC(C)(C)C)C(C)CC(C)CC(C)=O,0,GDB ChEMBL
191507,CS(=O)(=O)NCC(CO)C(O)C(N)=[NH2+],0,GDB ChEMBL
289441,CC1C(=O)N(C)C(C)C23CC2CC(O)C13,0,GDB ChEMBL
24717,CCCc1cccc(=O)ocncc1O,0,GDB ChEMBL
308266,CN=C(NC(C)=O)C(=O)OCC1C[NH2+]CC1N,0,GDB ChEMBL
2960,CC[NH+](C)CCC1CC(CO)C1,0,GDB ChEMBL
377348,[NH3+]CC1CC2CC[NH+]3CC1NC2C3,0,GDB ChEMBL
36021,CC(OC1(CNC(N)=O)CCCO1)C(N)=O,1,GDB ChEMBL
309817,C#CCC(CCC)N1CC1C=O,0,GDB ChEMBL
29254,O=CC1NC1Cc1cc(Cl)ccn1,0,GDB ChEMBL
44062,COC1COC(=O)C1(O)C(CC#N)NCCO,0,GDB ChEMBL
262338,N#Cc1ccc([NH+]=CN)c(N)c1,0,GDB ChEMBL
121522,CC[NH2+]CC(C)C1C2C(=O)C(O)C(CC)C21,0,GDB ChEMBL
61981,Cc1cnn(CC#N)c1C1CC(C)(C)C(C)[NH2+]1,0,GDB ChEMBL
390538,C#CC1(C#C)CC2CC(O)CC(=O)OC2C1,0,GDB ChEMBL
83127,CC12C=C3COC4(C[NH2+]C1C(N)=O)C3C24,0,GDB ChEMBL
197077,CCC(=O)C12CC(C3CC3)[NH2+]CC1C2,0,GDB ChEMBL
68472,CC(CCC1(C)OC1(C[NH3+])C(N)=O)C(=O)[O-],0,GDB ChEMBL
136709,C#CC1c2c(C)cc(C)c(C)c2CCC1C,0,GDB ChEMBL
305543,CC(=O)C[NH+]1CCC=CC1(C)C,0,GDB ChEMBL
302587,Cc1cn(C)c(C)c1C(CCO)[NH+](C)C,0,GDB ChEMBL
136065,[NH3+]C(CC(O)C[NH2+]CC(=O)[O-])C1CN1,0,GDB ChEMBL
104967,CN1C(=O)CCC1C1CO1,1,GDB ChEMBL
76763,CC=CC=C1CC2COC(=O)N2C1,0,GDB ChEMBL
222053,CC(C)CC(CC[NH3+])Nc1cc(=O)ccc[nH+]1,0,GDB ChEMBL
53883,COC(C)CC(O)C(=O)C1CN1,0,GDB ChEMBL
312887,CC1CS(=O)(=O)CC1(O)C(=O)NC(C)(C)C,1,GDB ChEMBL
151231,C1[NH2+]CC2C1OCC21CC1,0,GDB ChEMBL
30336,CC1=CC2(CC[NH+](C)C)C(C)CC2C1,0,GDB ChEMBL
300477,CCC#CC(O)CC1(CC(C)C(N)=O)CN1,0,GDB ChEMBL
338286,COC1C2CC2C(C)(O)C1[NH3+],0,GDB ChEMBL
194392,CC1CC2(CS(N)(=O)=O)COC2C(O)C1C,0,GDB ChEMBL
273864,CC([NH+]=C(N)C(N)C(N)=O)C(=O)[O-],0,GDB ChEMBL
361769,CCCC12CCC(OC)C1CC2,1,GDB ChEMBL
211172,COC1CCC2C[NH+](CC1)CC1=CCCC12,0,GDB ChEMBL
308331,CC[NH+](C)C(CO)c1oncc1C[NH3+],0,GDB ChEMBL
344297,CC(C)(C)C(C)(O)C(N)=O,1,GDB ChEMBL
140381,CC1C(O)CC23CNC(=O)C12COC(CO)C3,0,GDB ChEMBL
85700,CNC(=O)N(C=N)C(C)C#N,1,GDB ChEMBL
173868,[NH3+]C(CO)CC1OC2OC(=O)C(O)C2NC1=O,0,GDB ChEMBL
89102,Cc1[nH]nc2c1C([NH3+])C1C(CC(C)C1O)N2,0,GDB ChEMBL
190024,Fc1ccc(C2CC2C2C=CCC2)cc1,1,GDB ChEMBL
385616,CCC([NH3+])C1CC(O)C(N)(C#N)C(O)(CO)C1,0,GDB ChEMBL
320423,COCC1(C)C[NH2+]C(C)CC(=N)OCC1=O,0,GDB ChEMBL
39761,CC12CN(CC1[NH3+])c1cccc(F)c12,0,GDB ChEMBL
311333,CC1CC23CCC(O)C2C1[NH2+]C3,0,GDB ChEMBL
20536,Cc1cccccc(CC(C)(C)CO)c(C)[nH]1,0,GDB ChEMBL
235577,C=CCOC1C(C)C2CC(C)C1C2,1,GDB ChEMBL
286987,NC(=O)C1(CCC(=O)[O-])CC(=O)C(=O)O1,1,GDB ChEMBL
70089,CCC(CC(=[NH2+])NC=NC)C(=O)[O-],0,GDB ChEMBL
94616,CCC(C)CCC1C(C)OCCC1(C)CC,0,GDB ChEMBL
38605,CN1C(N(C=O)CC#N)=NCC1CO,1,GDB ChEMBL
134491,CC1C([NH3+])CC2(C(=O)[O-])N1CC2([NH3+])CO,0,GDB ChEMBL
330791,COCCC1=NC(Cc2ncc(C)o2)C(=O)N1,1,GDB ChEMBL
97166,CC=CC(CC([NH3+])C(N)=O)C(=O)[O-],0,GDB ChEMBL
362071,N#C[C-]1C(=O)OC2C(NC(N)=O)C12,0,GDB ChEMBL
388450,C#CCC(CCC(C)C)C1CC(C)CC1(C)C,0,GDB ChEMBL
77039,CC([NH3+])CNC(=O)C(CN)N(C)C=[NH2+],0,GDB ChEMBL
349633,CC(C)C1CCN2C(=O)C3CCC(CC12)O3,0,GDB ChEMBL
133197,CC[NH2+]C(CCO)c1ccncc1C,0,GDB ChEMBL
203101,C[NH2+]CCC1(C(N)=O)C(N)C1[NH3+],0,GDB ChEMBL
356488,CCc1c(O)nn2c1C(=O)NC(C)C2,1,GDB ChEMBL
274090,CCCC1(c2ccccc2)[NH2+]C2CC1(N)C2,0,GDB ChEMBL
70925,NC1=[NH+]CC2(CN1)C(=O)N(C(=O)CO)CC2[NH3+],0,GDB ChEMBL
189888,CC[NH2+]CC(C)CC1(CC(F)(F)F)CCC1,0,GDB ChEMBL
300927,C#CC1(C)CCCCC([NH3+])CCCC(CC)C1,0,GDB ChEMBL
58518,CCC(O)C(C)c1nc(OCCO)ncc1Cl,1,GDB ChEMBL
124112,CC1C2N(C=O)CCCCC12O,0,GDB ChEMBL
320485,CCCCN(c1c(F)nc(C)nc1F)C(C)C,1,GDB ChEMBL
300447,[NH3+]CCn1ccc2c3ccccc3cnc21,0,GDB ChEMBL
59639,CCCCCCC1=CC=C(C)CC1,1,GDB ChEMBL
159860,CCC(C)CC(CC)CC1CCCCC1CC,1,GDB ChEMBL
327003,CCC1C=C(C)CC2(CC1)CC2,1,GDB ChEMBL
337119,COC1C([NH3+])CC(CC(C)O)CC12CO2,0,GDB ChEMBL
71642,CCCc1nnsc1N1CCCC1=O,1,GDB ChEMBL
92290,C[NH2+]C(C)CC1CC2(CO2)C1,0,GDB ChEMBL
234438,CC(CCO)Cc1cc(F)c(=O)n2c1CCC2,0,GDB ChEMBL
161028,NC(=O)C1NS(=O)(=O)C2C1CC1C[NH2+]C12,0,GDB ChEMBL
234944,CC(C)C(CC1=CCCCCC1)C(F)(F)F,1,GDB ChEMBL
36215,CC(CO)CCCCc1cncnc1I,1,GDB ChEMBL
22556,Fc1cccc(CC2C[NH2+]C2)c1F,0,GDB ChEMBL
102345,CC(CC#N)C1(C)CNc2c(Cl)cccc2N1,1,GDB ChEMBL
127005,C#CCC(O)C1(C#C)C(=O)NCCOC1OC,0,GDB ChEMBL
147555,C[NH2+]CC(C)(C)C(O)C(C)C,1,GDB ChEMBL
282247,CN1CC(C(N)=[NH2+])C2(CO2)C1=O,0,GDB ChEMBL
70993,C#CCC1CCCC(CO)C1=O,1,GDB ChEMBL
352839,C#CC1(C#CCC(C)C)CC(CO)NC1=O,0,GDB ChEMBL
339011,COC(CC=NO)CCC([NH+]=CN)C(=O)[O-],0,GDB ChEMBL
252554,CCC(CC(C)C)C1(C)C=CC(C[NH3+])C1,0,GDB ChEMBL
280424,COC1CC(c2ncnn2C)C1(C)C#N,0,GDB ChEMBL
322860,CC1C[NH+](C)CC1Nc1cnsn1,0,GDB ChEMBL
61927,Cn1c2c([nH]c1=O)C(=O)NC(=O)OC2,1,GDB ChEMBL
345718,CCC(C)C12CCCC(C(C)C1)C(C)C2,0,GDB ChEMBL
105964,Cc1nc(OC(N)=[NH2+])ccnc(N)cn1C,0,GDB ChEMBL
360816,CC(O)(CCNS(C)(=O)=O)C(N)=[NH2+],0,GDB ChEMBL
174227,C#CC(O)(CC(C)[NH2+]C)C(C)CC1CC1C,0,GDB ChEMBL
361834,CC#CCOC1(C#CC)CCCC1,1,GDB ChEMBL
318073,[NH3+]CC1=CCC(C(=O)[O-])OC(=O)N1,0,GDB ChEMBL
127656,CCCC1CC2(OC)CC2[NH2+]1,0,GDB ChEMBL
305832,CCCC12C3CCC(C)N1C2CO3,0,GDB ChEMBL
307549,N#CCC#CCCC([NH3+])C1CCNC(=O)C1,0,GDB ChEMBL
259524,CC(=[NH2+])OCCCCC(C)C,0,GDB ChEMBL
252312,CC1NC(C#N)CC1CO,1,GDB ChEMBL
80321,C#CC([NH3+])(CCC(C)[NH3+])C(CO)COC,0,GDB ChEMBL
255493,[NH2+]=CNC1C(O)CC([NH3+])C(O)C1C(=O)[O-],0,GDB ChEMBL
93094,C[NH2+]C1C2OC(CCCOC)C1N(C)C2C[NH3+],0,GDB ChEMBL
103439,CNC1(C(N)=O)C(C#N)C1CO,0,GDB ChEMBL
189755,C#CCC1(O)CC([NH+](C)C)CC1C[NH3+],0,GDB ChEMBL
61959,CCC1CC(C#N)C(N)C2C[NH2+]CC12,0,GDB ChEMBL
215439,CC(O)C1[NH2+]C2CNS(=O)(=O)CCOC1C2,0,GDB ChEMBL
195256,CCC1C(C=O)C1C(=O)N1CCC1,1,GDB ChEMBL
115747,CN1CC(O)CC2(C)[NH2+]CC2C(O)C1=O,0,GDB ChEMBL
235569,CC1(CCS(N)(=O)=O)CNS(=O)(=O)CCN1,1,GDB ChEMBL
219503,[NH3+]CC(CC(CNC=O)C(=O)[O-])C(F)(F)F,1,GDB ChEMBL
243373,NC(=O)C1CCC([NH3+])C2CC([NH3+])CN12,0,GDB ChEMBL
235686,CC(C)C1(C(N)(CO)C(N)C#N)C[NH2+]C1,0,GDB ChEMBL
95886,CCNC(N)=[NH+]C(C(C)C)C1(O)COC1=N,0,GDB ChEMBL
298900,CC1C(CC[NH3+])N1c1nnn(C)n1,0,GDB ChEMBL
311056,COc1c(C=O)cc(Br)c2noc(C(C)C)c12,0,GDB ChEMBL
75868,C[NH2+]CC1C2C(C[NH3+])CC1N(C=O)C2CO,0,GDB ChEMBL
93448,O=C(CO)C1CCC[NH2+]1,1,GDB ChEMBL
320749,CC1=Cc2cnc(c(F)c2)OCCC=C1,1,GDB ChEMBL
354024,CC(CC1(C)CNC1=O)N1CCOC1=O,1,GDB ChEMBL
310814,CC(C)C[NH+]=C(N)C(O)COS(N)(=O)=O,0,GDB ChEMBL
189900,CCOc1c(N)c(C#N)c(=O)n(CC[NH3+])c1[O-],0,GDB ChEMBL
118432,COc1[nH]cc(C(C)(C)C)ccnc(O)c1O,0,GDB ChEMBL
367642,CC1NC(=O)OC(=N)C(=O)NC(C)C1C(=O)[O-],0,GDB ChEMBL
357662,CC(O)CN(CC(=N[O-])C1CO1)C(N)=O,0,GDB ChEMBL
77064,Cc1c2cc(cc1C(C)C)NCCOCCC2,1,GDB ChEMBL
330052,CCC1=CCC(CC[NH3+])C2C(CC1)C[NH+]2C,0,GDB ChEMBL
136463,Cc1ncc(CCC#CC(C)C(C)[NH3+])s1,1,GDB ChEMBL
222129,CC1NC(C(=O)[O-])C([NH3+])C2C[NH2+]C1C2CO,0,GDB ChEMBL
85850,CC1OC2(CCCO)COC(=O)C1C2O,0,GDB ChEMBL
346996,COC1CC=C(C[NH3+])CC1,1,GDB ChEMBL
387096,CC(C)C1C=CC=CC=CCCC1,1,GDB ChEMBL
238129,CNc1nc(NC(N)=[NH+]C)cc(N)c1F,0,GDB ChEMBL
215318,CCCN1C=Nc2c(cc(CO)nc2Cl)C1,0,GDB ChEMBL
194424,CCN1CCC2(CO)OCCC([NH3+])C12,0,GDB ChEMBL
202803,[NH3+]CCCC1CCC2OC(=O)CC12,0,GDB ChEMBL
284881,CCC1(O)CC2CCC1[NH+](C)C2CC(C)[NH3+],0,GDB ChEMBL
235174,COC(CC[NH3+])CC1=NCC2COC(=O)C2O1,0,GDB ChEMBL
47716,COC1C2C(=O)C1(C(N)=O)CN2C(C)=[NH2+],0,GDB ChEMBL
113566,C#CCC1C=CCC(C)(CC)C1C(O)CC,0,GDB ChEMBL
305790,CC1CC2OC1C1C(CCC[NH3+])C21,0,GDB ChEMBL
29649,CCC([NH3+])C1CC[NH2+]C2C=C(C)CC21,0,GDB ChEMBL
354840,CC(=O)N(C)Cc1nscc1N1CC(O)C1,1,GDB ChEMBL
124885,CCC(O)CC(C)C1CCC(OC)C(=[NH2+])N1C,0,GDB ChEMBL
103444,CC(C)(C)C1CC1([NH3+])CC1C[NH2+]CCO1,0,GDB ChEMBL
284015,CCC1(O)C2C(=O)NC(CC#N)C1C(O)C2[NH3+],0,GDB ChEMBL
102280,CC(CC#N)C1C(O)C([NH3+])C1O,0,GDB ChEMBL
311311,Cc1nc(N)cc(CC#N)n1,1,GDB ChEMBL
319352,C1=CC2CCCC(C1)C[NH2+]2,0,GDB ChEMBL
185317,CN(C)CS(=O)(=O)NCC(CO)CCO,0,GDB ChEMBL
389052,CC1C2C([NH3+])CC(CC13CO3)[NH+]2C,0,GDB ChEMBL
45049,Nc1ncc(CC(=O)C2CO2)c(O)n1,1,GDB ChEMBL
106617,CCCC1CC2(C)CC(OC)C1C(C)O2,0,GDB ChEMBL
22496,CC#CC1(C(CC)NS(C)(=O)=O)C[NH2+]C1,0,GDB ChEMBL
112559,C#CCN(C)CC1[NH2+]CC(C)COCC1(C)O,0,GDB ChEMBL
103424,Cc1c(CO)cc(CC(C)(C)C)c(Cl)c1C=O,1,GDB ChEMBL
276111,CCN1C(=O)C2CC(C=O)OCC1CC2O,0,GDB ChEMBL
64653,CCc1cc(Br)c(C)c(C(C)C)c1C(C)CC,1,GDB ChEMBL
182115,COC(CC[NH3+])CCCc1ccno1,0,GDB ChEMBL
45090,CCCC1(C)CC=CC=CC=CC(=O)O1,1,GDB ChEMBL
178019,CC1(C[NH3+])NCC1(C)OCC(=O)[O-],0,GDB ChEMBL
379236,C#CC(Cn1cc(C)c(C)c1)C([NH2+]C)C(C)C,0,GDB ChEMBL
27758,COc1c(C=O)ccc(C2OC2C#N)c1C,1,GDB ChEMBL
111578,CCCC(C(C)CO)C1C2C3CCC(C3)C21,0,GDB ChEMBL
167322,CC(C)COC(=N)CCC#CC(C)(C)O,1,GDB ChEMBL
132306,CC1(C)CC[NH+]2CCC(O)C2C1,0,GDB ChEMBL
115393,CC#Cc1cc(CC)cnc1C,1,GDB ChEMBL
333640,CCCC1C(CC)C2CC(CC[NH2+]2)C2OC12,0,GDB ChEMBL
17541,C#CC1(C)C[NH+](C)C(C2CC2)C(CCC)O1,0,GDB ChEMBL
202505,CCC12CC(=O)NC3C(C)CN1C32,0,GDB ChEMBL
197193,CC1[NH2+]CC1(O)CC(O)CCO,0,GDB ChEMBL
333914,CNC(C[NH3+])C(C#N)C(=O)Nc1nnn(C)n1,0,GDB ChEMBL
308688,N#CC(C(=O)[O-])C1(N)C2CNC(C(=O)N2)C1O,0,GDB ChEMBL
354372,CC1=CCC2(C)C(O)C=C(C)C2CCC1,0,GDB ChEMBL
129444,CC[NH2+]Cc1csc2c1ccn2C(=O)OC,0,GDB ChEMBL
283222,C[NH+]=C(N)Nc1ccc2oc(N)cc2c1,0,GDB ChEMBL
208421,CCC1CCC=CC=C1C1(C#N)CCCC1,0,GDB ChEMBL
193268,Cc1cc(C(=O)n2cncn2)no1,1,GDB ChEMBL
38494,CC1C(C#N)C2CCC=CC2C1CO,0,GDB ChEMBL
353209,C#CC(N)=[NH+]c1cc(C)nc2ccnn12,0,GDB ChEMBL
345825,CC1CC[NH2+]C(C)C(CO)C2(C)C([NH3+])C12,0,GDB ChEMBL
358844,C#CCC(CC)C1=CCC(C)C1,1,GDB ChEMBL
190460,C[NH2+]CC1(C)C(C)CC1OC,0,GDB ChEMBL
271054,N#CCCC(O)CCC1COC1,1,GDB ChEMBL
34893,CC#CC1(CCC)CC=C(C)C(C)C1,0,GDB ChEMBL
147393,CC1C=CC(=O)OC1C[NH3+],0,GDB ChEMBL
356863,CC1CC=C(C2CCOC2)CC1(C)C,0,GDB ChEMBL
325769,CC1CCC2C3CC(C)(CCO3)C2C1,0,GDB ChEMBL
88178,C#CC1CCc2cc3cccc(C)c3nc21,1,GDB ChEMBL
156210,CC1(C)CC(OCCCCO)C2(CCCO2)C1,0,GDB ChEMBL
385606,CCC1C[NH2+]CC1(C)C[NH+](C)C1CC1C,0,GDB ChEMBL
32038,C#CC(CCC(C(C)C[NH2+]C)[NH+](C)C)[NH2+]CC,0,GDB ChEMBL
38591,CNC(=O)C([NH3+])C1OCC(=N)OCC1(C)O,0,GDB ChEMBL
345692,C#CCCC(C(C)[NH3+])C1C(C)[NH2+]CC1(C)C,0,GDB ChEMBL
66666,COC1C2C=CC1C2CCOC1CCCC1,0,GDB ChEMBL
252533,O=C1CC2(O)CC(O)C(C(O)C2)S(=O)(=O)[N-]1,0,GDB ChEMBL
1973,Cc1cc(C2(C)C(C)CCC2C)c(C)cc1Cl,0,GDB ChEMBL
6798,Nc1ccc(C23CCC[NH+]2CC3)nc1,0,GDB ChEMBL
325227,CCS(=O)(=O)N1CC1C(O)C(=O)[O-],0,GDB ChEMBL
98891,CC[NH+]=c1[nH]ccc(F)c1C[NH3+],0,GDB ChEMBL
286835,CC(=O)N(CC1CC(CCO)OC1=O)C(=N)N,0,GDB ChEMBL
34271,CC#CC(C)(CCO)C1CNC(=O)C1=NO,0,GDB ChEMBL
133038,CC=CCCNC(=O)C(O)C(C)[NH3+],0,GDB ChEMBL
392290,CC1=CC2CC(C)C(O)C2(C)C1,1,GDB ChEMBL
386529,CCC1OCOC(=[NH2+])NC1C,0,GDB ChEMBL
38584,CCOC(CO)(C[NH2+]C)C1CC(N)(C#N)C1,0,GDB ChEMBL
212538,CC#Cc1ncn(C)c1CC,1,GDB ChEMBL
274891,CC1[NH2+]CCC1S(=O)(=O)[N-]C(=O)COCC[NH3+],0,GDB ChEMBL
50060,CC1CCC(C)C([NH3+])C(NC(N)=[NH2+])C1,0,GDB ChEMBL
389083,CCCC1CCC(C)(C[NH2+]C(C)CO)O1,0,GDB ChEMBL
174211,CC[NH2+]CC1(NC)CC2CCC1C2(CO)OC,0,GDB ChEMBL
15553,CC(=O)N1C=CC(OC(=O)CN)C1=N,0,GDB ChEMBL
17060,CCCC1CCCCC([NH2+]C)C(C)(CCC)C1,0,GDB ChEMBL
255976,CCc1cc(CC[NH2+]C)c(CC(C)=O)[nH]1,0,GDB ChEMBL
126856,CCCC12CC[NH+](CC1)C(CC)(CC)C(=O)N2,0,GDB ChEMBL
119958,CCCOc1ccc(C)cc2c(C)cc(C)c1-2,0,GDB ChEMBL
57323,COC1CCOCCCOCC12CCC(C)C2,0,GDB ChEMBL
273974,C[NH2+]CC(=NC1C(CO)CCC1(C)CO)OC,0,GDB ChEMBL
303931,O=C(NCCC(O)CO)c1nnon1,0,GDB ChEMBL
312214,CC1CCCCC(C)(C(C)C)CCC(C)CC1,0,GDB ChEMBL
34994,Nc1nc(NCCC(=O)[O-])oc1CO,0,GDB ChEMBL
367640,CCCC1C(OC)CC2C1[NH2+]CC2(O)C#N,0,GDB ChEMBL
361782,CCCC1C=CC(C)CC=C(C)CC1,0,GDB ChEMBL
70965,CC#Cc1oc(=O)c(C)cc1N,1,GDB ChEMBL
305600,[NH3+]C1C([NH3+])C2C(C(=O)[O-])CC1C2C(=O)[O-],0,GDB ChEMBL
37286,CCOC1C(CC(=O)[O-])=CCC1=NO,0,GDB ChEMBL
130436,CCCCCCC(C)C(C)(C)C1CC1,1,GDB ChEMBL
398967,O=CNC=CC[NH2+]C1CCCOC1,0,GDB ChEMBL
152502,CCC1C2CCCC(C)(CC)CCCC1CC2,0,GDB ChEMBL
228885,N#CCC(=N[O-])C(O)C(=O)NC(=N)N,0,GDB ChEMBL
144560,CNC(=O)C1CC(O)C1,1,GDB ChEMBL
190284,CCNS(=O)(=O)C1C([NH3+])C(O)C(O)C1O,0,GDB ChEMBL
159907,CCC1CC2C=C(c3ccccc3O)C1C2,1,GDB ChEMBL
281000,CCCC1CC[NH2+]C12CC(CO)C2,0,GDB ChEMBL
179435,C[NH+]=C(N)NC(C)C(O)CC1COC(N)=N1,0,GDB ChEMBL
136418,CC(O)C1CCOC(=O)COCO1,1,GDB ChEMBL
95945,CCN(C=CCC1([NH3+])CC1)C(C)=O,0,GDB ChEMBL
62562,C#CC(CC)c1c(Br)cc(CCC)cc1Br,1,GDB ChEMBL
398748,CC1C=C2CNC2C(=O)CC1O,0,GDB ChEMBL
165241,CCCCCc1cc(C(C)C)c(C)c(I)c1N,1,GDB ChEMBL
89088,[NH3+]C(CC1CC1)CS(=O)(=O)[O-],1,GDB ChEMBL
387324,C=CC([NH2+]C)C(=O)C1CNC(=[NH2+])C1,0,GDB ChEMBL
143474,CC1(CC(O)CC2=CC(C[NH3+])CC2)CCC1,0,GDB ChEMBL
22823,C[NH2+]CC(N)CC(O)CC[NH3+],0,GDB ChEMBL
392743,COCC1(CC(C)(C)C#N)NC1C(C)=O,0,GDB ChEMBL
174657,CC(=O)C1=CN(C(C)=O)CCC=C1,1,GDB ChEMBL
360799,C[NH2+]C1C(C[NH3+])C2OC1C(C)C21CCCO1,0,GDB ChEMBL
354465,CCOC(C)C(C)C(CC)C1CCC1=O,0,GDB ChEMBL
109585,CCCC1CC(C)CC(C(C)(C)C)C(C)C1=O,0,GDB ChEMBL
73295,CC1C(C)C2C[NH2+]C3C1C[NH2+]C23,0,GDB ChEMBL
346835,CC#CC1C=CC=CCCCC1CC,0,GDB ChEMBL
152017,Cc1cc(=O)onc1OCC(=O)[O-],0,GDB ChEMBL
245511,CC(=O)N1CC(N)C(=O)OC(C)(C[NH3+])C1=O,0,GDB ChEMBL
318780,C#CC1CCC=CCC(C)C(C)(C)C1,1,GDB ChEMBL
55530,N=C1CC(C[NH3+])Cc2conc2C(=O)N1,0,GDB ChEMBL
353266,CCC(CCc1cccc(Br)c1)C1CC1,1,GDB ChEMBL
132425,Cc1cc(O)cn(C(CC#N)C(C)C[NH3+])c1=[NH2+],0,GDB ChEMBL
305472,C#CCN(CC(=O)[O-])CC(=NO)C(C)CO,1,GDB ChEMBL
217696,CC(=[NH2+])Nc1c(CC[NH+](C)C(C)C)c[nH]c1N,0,GDB ChEMBL
372140,CCC1(NC)CC2(O)C(CC(N)=O)C[NH2+]C12,0,GDB ChEMBL
339240,CCC1[NH+]=C2NCC(C)C1NC(=O)NC(=N)N2,0,GDB ChEMBL
345750,CC(O)C1C2C([NH3+])C2(N)C[NH+]1C,0,GDB ChEMBL
6844,NC1=[NH+]CC[NH2+]CCC(C[NH3+])N1,0,GDB ChEMBL
379404,CC(O)C1C(C[NH3+])OC(=O)C1N,0,GDB ChEMBL
117386,C[NH2+]C1CC2(O)C(NC(=O)CO)COC12,0,GDB ChEMBL
166424,CC#CC12CCC(C1)C(C(O)CCC)O2,0,GDB ChEMBL
113487,CCNC(C#N)CCOc1nonc1N,1,GDB ChEMBL
387061,COCC1(C(N)=O)C(C)N1C(N)=O,0,GDB ChEMBL
127220,CN(C)CC(=O)C(C)(CC(N)=O)S(N)(=O)=O,0,GDB ChEMBL
207957,C#CC1=CCCC(CCCC)CCC12CC2,0,GDB ChEMBL
4933,CCC#CC(CC)C(C)CCC,1,GDB ChEMBL
278248,C=CCNC(=O)OCC(C)C[NH2+]C,1,GDB ChEMBL
64611,O=C1CC2OC(=O)C3C(O)C23[N-]C(=O)N1,0,GDB ChEMBL
225327,CCCC(C[NH3+])C1=CC(NC)=[NH+]C1,0,GDB ChEMBL
204365,CN(C)C(=O)c1nsc(N)c1[O-],0,GDB ChEMBL
120394,C[NH2+]CC(CN)(OC(N)=O)C(O)C(N)=O,0,GDB ChEMBL
157112,N=C(c1ncn[n-]1)N(CCO)C(N)=O,0,GDB ChEMBL
330782,O=C1NC2C(O)CC1C1CC12,1,GDB ChEMBL
113504,CC([NH3+])CC1CC([NH+](CCO)C(C)(C)C)C1,0,GDB ChEMBL
46917,C#CC1CCC2C(C)[NH2+]CCOCC2(C)C1=O,0,GDB ChEMBL
277450,C[NH+](C)CCC12C[NH2+]C(C)(C)C(C1)C2,0,GDB ChEMBL
157714,[NH2+]=C1CC2C[NH+]3CC(C3)N(CCN1)CC2=O,0,GDB ChEMBL
294429,C#CC1[NH2+]C2CC1C1CC2CC1[NH+](C)CC,0,GDB ChEMBL
221137,CCC(CO)CC(=O)C(CO)C(O)CNC=O,0,GDB ChEMBL
54107,[NH3+]C(CO)C1OCC1(O)C(=O)[O-],0,GDB ChEMBL
61283,COC(C)C1N=C(C)OCC1O,0,GDB ChEMBL
3942,CC(CN1C(C)C1S(N)(=O)=O)C(=O)[O-],0,GDB ChEMBL
155084,C=CC(=O)N(C)S(=O)(=O)CCN(C)C,1,GDB ChEMBL
76698,Cc1cc(Cl)c(C)c2c(O)c(N)cc(O)c12,1,GDB ChEMBL
98854,C#CC1CC(C[NH2+]C)CC(C(C)C)C(C#C)O1,0,GDB ChEMBL
258028,CC1[NH2+]C2C3(O)C(=O)OC1C23[N-]S(C)(=O)=O,0,GDB ChEMBL
247571,N#CC1CC(O)C2CC2(CC[NH3+])CCN1,0,GDB ChEMBL
311313,C[NH+](C)C1C(=O)NCC1C(=NO)C(=O)[O-],0,GDB ChEMBL
26993,[NH3+]C1CNC(=O)C(CO)C2NC12,0,GDB ChEMBL
376983,CCC1CC(C)(C)C(C)(C)CC(C)C1COC,0,GDB ChEMBL
79546,CCCCC12CC(C)C(C)C1[NH2+]2,0,GDB ChEMBL
60655,CC(=O)Nc1noc2c(C(=O)[O-])n[nH]c(=O)c12,0,GDB ChEMBL
197179,Cc1ccc(C)c2c1C(=O)CC2(C)C,1,GDB ChEMBL
358583,CC(C)CC1CC12CC=CC(=O)CC2,0,GDB ChEMBL
87091,CC1CCCCC2CC(CC1)C(C)CCC[NH2+]2,0,GDB ChEMBL
301142,C#CCC1C2CC=C(C)C1C(C[NH3+])CCC2,0,GDB ChEMBL
221130,COC1CC2CC1(O)C(=O)N2,0,GDB ChEMBL
277622,CCC1CCCCC2(C(F)(F)F)CC12,0,GDB ChEMBL
233442,Cc1cc(C)n(CC(=O)C(C)(C)C(F)(F)F)c1,1,GDB ChEMBL
201710,CC1[NH+](C)CCOC1(C)C1CC1CC#N,0,GDB ChEMBL
147869,C#CC1CC2C[NH+](C)CC2C1,0,GDB ChEMBL
304884,CCN1C(CC#N)C1C(=O)[O-],0,GDB ChEMBL
252343,CC1=C(C)C(C)(O)Cc2cc(F)ccc21,1,GDB ChEMBL
379845,CC1OC(=O)NC(C[NH3+])C1O,0,GDB ChEMBL
138390,C#CC(O)C(=NCC#N)N(C)CC,0,GDB ChEMBL
374050,COC(=O)N(C)CC1(N)C(C)C1[NH3+],0,GDB ChEMBL
41129,CN1CC2(C)NC(C1=O)C2([NH3+])CO,0,GDB ChEMBL
179126,CC=CC=Cc1cc(Cl)cc(Cl)c1,1,GDB ChEMBL
109209,NC1C(=O)NCCNC1C(=O)Nc1cc[nH]n1,1,GDB ChEMBL
81747,NC(=O)C1CC2NC2C(O)C([NH3+])CN1,0,GDB ChEMBL
398743,[NH3+]CCC1CC(O)C(O)C=CC(=O)O1,0,GDB ChEMBL
333892,CC#CC1(O)C=CCNC1=O,1,GDB ChEMBL
187238,C[NH2+]C(C(C)(C)C)C(C)(N)c1cncc(O)c1,0,GDB ChEMBL
243913,CCC[NH+]1C(C)CCC2C(C)C21,0,GDB ChEMBL
339091,O=C([O-])Cc1cn(CCCO)nn1,1,GDB ChEMBL
66684,CC(C)OC1CC2CC(C(C)C2C)C1(C)C,0,GDB ChEMBL
40045,CC(=O)NC(=N)N1CC1C=O,0,GDB ChEMBL
225362,C[NH+]1CCC2(CO2)C2C=CC=C2C1,0,GDB ChEMBL
385956,CS(=O)(=O)NC1C(O)C2OC23CC(=O)NC13,0,GDB ChEMBL
110219,C#CC1(C#N)C(C#N)C1NC(=O)CC[NH3+],0,GDB ChEMBL
337372,C#Cc1cc(Cl)c(CC(C)C)cc1C,1,GDB ChEMBL
177882,CC(O)C([NH3+])CNCC(N)C[NH3+],0,GDB ChEMBL
189782,CC(C)[NH+]=C(N)NCC(=O)CO,0,GDB ChEMBL
238569,CC1CC=CCC(CO)(CC[NH3+])OC1=O,1,GDB ChEMBL
338905,COc1ncnc(N(C)C)n1,1,GDB ChEMBL
129550,CC1CC2NC(=O)C1C1CCC2C1,1,GDB ChEMBL
122950,COCC(C)C#CC[NH3+],0,GDB ChEMBL
119231,COC(CO)C([NH3+])C1CC(O)COC1=O,0,GDB ChEMBL
255396,N#CC(O)C(=O)NC(=N)CNC(N)=[NH2+],0,GDB ChEMBL
366060,Cc1cc(Br)ccc1C1(O)C2C=CC1CC2,1,GDB ChEMBL
80252,COC(=O)C1OCC2CC21,1,GDB ChEMBL
44301,CCn1nc(N)c(NCCC(=O)[O-])n1,1,GDB ChEMBL
352595,CCC(O)COCc1cocc1C(C)C,1,GDB ChEMBL
277675,C=C(C)C1C(C)CC2CC1CC2O,0,GDB ChEMBL
268184,CCC1([NH2+]CC2CC2)CC1C=O,0,GDB ChEMBL
23966,C1=C2CC=C(C2)c2ccccc2CCCC1,1,GDB ChEMBL
203856,CCC(C[NH2+]C)C1CC=CC(C)C[NH2+]1,0,GDB ChEMBL
259331,CC([NH3+])C1C2[NH2+]C(C(=O)[O-])CC21N,0,GDB ChEMBL
127500,CCOC(C)(C)C(CC)CC(C)C1(C)CC1,0,GDB ChEMBL
114349,CCC1(C#CCO)CC(C)CCO1,1,GDB ChEMBL
104703,CNS(=O)(=O)c1cc(C)nc(O)n1,1,GDB ChEMBL
46914,N#C[C-](C(=O)[O-])S(=O)(=O)[N-]C(=O)CN,0,GDB ChEMBL
182120,COC1Cc2c(Br)cncc2N(C=O)C1=O,1,GDB ChEMBL
263204,CCC1CC2[NH+](C)C(CC)C1(CC)C2(C)OC,0,GDB ChEMBL
201454,CC1(C#N)CNC(=O)CC1O,1,GDB ChEMBL
354117,C#Cc1c(C)cc(F)c(CC)c1C(C)(C)CC,1,GDB ChEMBL
290133,CCCC1CC1C1CCCCC(C)C1,1,GDB ChEMBL
333095,CN1C(=O)C(O)C23OC2CC1C3=O,0,GDB ChEMBL
273951,CC(C(=O)[O-])C12CC1(CC[NH3+])CNC(=[NH2+])O2,0,GDB ChEMBL
108178,CC1C[NH+]2CCC3=CC(C)(CC3)C1CC2,0,GDB ChEMBL
120388,CNC(=O)C([NH3+])C1C2C=CC(O)C21,0,GDB ChEMBL
396100,CCCC1CC(CC)OCCC(C(C)(C)C)C1,0,GDB ChEMBL
44350,CC1CC([NH3+])C2(CC[NH+](C)C2)C1[NH3+],0,GDB ChEMBL
71404,C#CC1C(C)CCC2CCCC=CC21,0,GDB ChEMBL
334592,CC12CC1CCCCC2C(N)=O,1,GDB ChEMBL
204315,CCC([NH3+])(CO)C1(CCC(C)[NH3+])COC1,0,GDB ChEMBL
120698,CCCCC1CN(C(NCC)=[NH+]CC)C(=O)N1,0,GDB ChEMBL
347945,CCCCC1CC(C)C(C)(CC)C1C,0,GDB ChEMBL
95947,CC1CC(O)C(O)COC(N)=[NH+]1,0,GDB ChEMBL
204355,C[NH2+]CC1=CC(=O)CC2(CO2)C1CC(=O)[O-],0,GDB ChEMBL
44653,C#Cc1c(Cl)c(C)c(OCC[NH3+])c(N)c1C#N,0,GDB ChEMBL
35680,CC1CC2CN(C)C3C(=O)OC14C2C34[NH3+],0,GDB ChEMBL
271354,CC1CC2C(c3cccc(Br)c3)C1CC2(C)C,0,GDB ChEMBL
147582,C#CC1(C)C=CCN1c1ccccc1,1,GDB ChEMBL
107066,CC(O)(CCNC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
26963,CC1=CC(C)c2ccccc2NCC1,0,GDB ChEMBL
389495,CC1CC(O)C2(CN2)C1[NH+]1CCCC1,0,GDB ChEMBL
276303,CC(C)OC(=O)CC(O)CC(N)=[NH+]CC=O,0,GDB ChEMBL
34879,CCNC(=O)C1(N)CC(O)C1[NH+]=C(N)N,0,GDB ChEMBL
367619,CN(CC1C=CCC1)C1C[NH2+]C1,0,GDB ChEMBL
203886,CCC(CC)C(C)C(C)C1(C)CCCCC1C,0,GDB ChEMBL
361773,C=C1CC2[NH2+]C(C1)C1C(CCC)C21,0,GDB ChEMBL
362589,COC(CC[NH3+])C[N-]S(=O)(=O)C#N,0,GDB ChEMBL
190353,CC1=CCCCc2c[nH]c(C)c2CC1,1,GDB ChEMBL
174690,CC1CC1(O)C(C[NH2+]CCNS(C)(=O)=O)=N[O-],0,GDB ChEMBL
170469,CC(=O)NC1C2CCCC2C1(O)CC#N,0,GDB ChEMBL
234924,CNC1C(C(N)=O)C(C)(N)C1(C#N)CO,0,GDB ChEMBL
78598,Cc1ccnc(CC(C=O)N(C)C)n1,1,GDB ChEMBL
351170,CC[NH2+]C1CC=CCC2C(C)C12,0,GDB ChEMBL
338157,NC(=[NH2+])NCC1(O)C2CC1C2,0,GDB ChEMBL
155193,CC1C(CO)C(CCC(F)(F)F)C2(C)[NH2+]C12,0,GDB ChEMBL
308702,C=CC(CC(C)CCCO)OCC,1,GDB ChEMBL
240780,C[NH2+]CC1OC2CC(C#N)C1C2[NH3+],0,GDB ChEMBL
160061,CNc1cccc(C[NH2+]C)c1CC(C)(O)C[NH3+],0,GDB ChEMBL
70113,C#CCC(C)(CC)CCC(C)CCC,1,GDB ChEMBL
285727,CC(C1CNS(=O)(=O)C1)C1(C2CCCC2)CC1,0,GDB ChEMBL
322834,CCCC(C)C(C)c1cc(N(C)C)c(C)c[nH+]1,0,GDB ChEMBL
306346,CC1(C)[NH2+]CC(C)(OCC(=O)[O-])C1O,0,GDB ChEMBL
50278,C#CC1(C)OCCCC(CC(C)C)C1(C)C,0,GDB ChEMBL
222855,CC1=C(C(C)C([NH3+])C(C)O)CC(C)(C)C1,0,GDB ChEMBL
136144,CN1CC([NH3+])C12CCCCCCOC2,0,GDB ChEMBL
41133,CC[NH+]1CCNC2(CCNc3c[nH]cc3C2)C1,0,GDB ChEMBL
194261,CN1CC([NH3+])C(C[NH3+])C1C(O)C1CO1,0,GDB ChEMBL
198849,CCCCC(C)C1(C)C=C(C)CC1C,1,GDB ChEMBL
332433,N#CC1(C(=O)[O-])[N-]C(=O)C([NH3+])C1N,0,GDB ChEMBL
348456,CC1CC2(C[NH2+]CC2O)C1,0,GDB ChEMBL
153756,[NH3+]C(C(=O)[O-])C(O)C(O)C1CC1O,1,GDB ChEMBL
111624,N#CC1(CC=O)CNC(=O)[N-]1,0,GDB ChEMBL
263815,C1=CC2CC[NH+](CCCCC1)C1CC=CC21,0,GDB ChEMBL
41274,C#CC1=NCCC(CC)C(COC)O1,0,GDB ChEMBL
155106,CCC1CC2NC2C(CO)COC1=O,0,GDB ChEMBL
5275,C1OC2CC[NH+]3CCOC2C(C3)O1,0,GDB ChEMBL
29242,CC1(C2CCCCC2)CN1CC(=O)[O-],1,GDB ChEMBL
372747,CC(C(=O)[O-])C(C=O)C(N)=O,0,GDB ChEMBL
313754,CCCC1C(O)C(c2oc(C)cc2C)C[NH+]1C,0,GDB ChEMBL
104923,CNC(=O)C(CCO)C1COC2C([NH3+])C2O1,0,GDB ChEMBL
159741,CCc1cc(C)cc(C[NH3+])c([O-])ocn1,0,GDB ChEMBL
251818,CC1CC(C[NH3+])CC(O)C1[NH3+],0,GDB ChEMBL
33272,CC(C)CC1CCCC=CC2CC21,0,GDB ChEMBL
277544,C#CCc1cc(F)cc(C)c1C1CCC(C)C1,1,GDB ChEMBL
54100,c1cc2cc3c(cc2[nH]1)C[NH2+]C31CC1,0,GDB ChEMBL
309691,CCC(C)(C)CC1C=CCC1,1,GDB ChEMBL
74338,CC[NH+]1C2CC3OCC2C(C)C31,0,GDB ChEMBL
221166,CCC12C[NH2+]C(C1)C(C)C2,0,GDB ChEMBL
228397,C#Cc1nc(Cl)cc(C)c1OC,1,GDB ChEMBL
26843,C#CCC[NH+](C)C1CCC1C(C)[NH3+],0,GDB ChEMBL
186560,CCCC([NH2+]C)C1(C)CC2CCC(C1)C2(C)C,0,GDB ChEMBL
242943,CC(C(N)=O)C1(C#N)C(C(O)C[NH3+])N1C,0,GDB ChEMBL
103933,CC1=CCC2C3CC(C)C(C)(C3)C2C1,0,GDB ChEMBL
316148,CCOC(=NC)C(=NO)C(=O)[O-],1,GDB ChEMBL
18928,CCCC1CCC(C([NH2+]CC)C(C)(C)C)CC1,0,GDB ChEMBL
296406,OCC1c2cc3nc[nH]c3cc2CC2OC21,0,GDB ChEMBL
287051,Nc1nc2ncnc(CO)c2c(=O)o1,0,GDB ChEMBL
79343,CCC1OC2C(NCC[NH3+])CC1(OC)C2O,0,GDB ChEMBL
382182,Cc1[nH+]c(N)c(OC2CCCC2=O)cc1N,0,GDB ChEMBL
76805,N#CCc1c[nH]cccc(CC[NH3+])nc1N,0,GDB ChEMBL
277963,CC1[NH+]2CCC(C2)C1(C)CO,0,GDB ChEMBL
29465,C[NH+](C)C1COCc2nccc(O)c21,0,GDB ChEMBL
279970,CC1NC(=O)CNC(=O)C(O)C2OC12,1,GDB ChEMBL
102322,C#CCCC1(C(C)(O)C2CC2)CC1,1,GDB ChEMBL
376043,CC(C)C1CC2CC(=O)CC2[NH2+]1,0,GDB ChEMBL
215328,CC(C)C(C)(O)C1(CC(=O)[O-])CC1,1,GDB ChEMBL
216536,CN(CC1NCCCC1=O)C(C)(C)C#N,1,GDB ChEMBL
307866,Cc1ccc2c(c1)COC2(C)C,1,GDB ChEMBL
296330,CCC1NC(=[NH2+])OC(C[NH2+]C)C1C,0,GDB ChEMBL
256159,N#CCOCC(O)C(O)C(O)C[NH3+],0,GDB ChEMBL
396112,O=C1C2C(O)C2C2C(O)CCN12,0,GDB ChEMBL
227257,CCC12CCC(OC(N)=[NH+]CC(C)O)(CC1)C2,0,GDB ChEMBL
292293,CCCC(CCC#CCCC#N)OC,1,GDB ChEMBL
358903,C[NH2+]C(C(C)O)C(O)CC[NH3+],0,GDB ChEMBL
118476,CNc1cc(Br)c(C2CC(C)C2)c(Br)c1,1,GDB ChEMBL
221669,CC1NC(C(O)C[NH3+])C2OC12CS(N)(=O)=O,0,GDB ChEMBL
313753,CCc1cnn2nc([O-])cc2c1OC,0,GDB ChEMBL
83081,CNc1nscc1CC(C)OCC(N)=O,0,GDB ChEMBL
273953,COC1C2OC(CNC(N)=O)C(O)C12O,0,GDB ChEMBL
277975,C#CCC(CC)C1[NH2+]CCC2(C)CC(C)C1C2,0,GDB ChEMBL
99441,CC(C#N)Oc1nc(N)c(C#N)nc1N,1,GDB ChEMBL
338888,C[NH2+]C(C)C1C2C(CCC[NH3+])C(O)CCN12,0,GDB ChEMBL
377006,N#CC1=CCC([NH3+])CC1C(O)C(=O)[O-],0,GDB ChEMBL
235966,Cc1ccc(C(C)c2ccc(Cl)cc2)s1,1,GDB ChEMBL
97114,N#CCC(=O)CC1(C#CCCC(=O)[O-])CC1,0,GDB ChEMBL
362846,CC[NH+](C)C1(C)C(C)C1C[NH2+]CCO,0,GDB ChEMBL
275627,Cc1ccn(CC(C)(C)C2CCC(C)C2C)c1,0,GDB ChEMBL
340457,CC1CC2=CC(=O)C(CO)C23[NH2+]CCCC13,0,GDB ChEMBL
81001,CCC(O)C(O)C([NH3+])C(N)=O,1,GDB ChEMBL
61883,Cn1nc(CO)c([N+](=O)[O-])c1C(O)CO,1,GDB ChEMBL
252842,C[NH2+]CC1CC(O)C2[N-]S(=O)(=O)C2C(=O)N1,0,GDB ChEMBL
96059,CC=C(C)c1c(C)ccc(F)c1F,1,GDB ChEMBL
193222,Nc1cc(Cl)c(O)c(O)c1CO,1,GDB ChEMBL
338092,CNC(=O)CC1NC(C)(C)C(COC)[NH2+]C1C,0,GDB ChEMBL
274896,CCC(C)(CC)Cc1cc(C)cc(I)c1C,1,GDB ChEMBL
285566,N=CNC(=O)C([NH3+])CO,1,GDB ChEMBL
254980,O=C1NC=NC(CC(O)CO)CO1,0,GDB ChEMBL
251926,COC1CCC(C)C1(C)C,1,GDB ChEMBL
68614,CNS(=O)(=O)C(C)(CC#N)C(CO)OC,0,GDB ChEMBL
189884,CCOCC1=C(CO)C(O)C(C(C)CC)C1,0,GDB ChEMBL
288154,CC(C)CC1(C)CCC(O)COCCC1C,0,GDB ChEMBL
174027,CC1CC=CCC(C#N)C(O)C1,1,GDB ChEMBL
306348,CCOC(=O)C1COC(=O)OC1,1,GDB ChEMBL
80245,CCCC(C)(CC)Cc1cc(C)ccc1I,1,GDB ChEMBL
282228,OCCCCC1OCCC2CC21,0,GDB ChEMBL
18844,C#CCC(C)(C)c1ccc(F)c(F)c1CC,1,GDB ChEMBL
246398,CCOC1CC(=NO)C2[NH2+]CC=CC2C1=O,0,GDB ChEMBL
4725,C#CC=C1CC(=O)OCC[NH2+]C1C,0,GDB ChEMBL
263253,CC(O)C([NH3+])CNC1C2CCC1[NH2+]2,0,GDB ChEMBL
107806,CC(=O)C1C(=O)N(C=O)CC1NC(N)=[NH2+],0,GDB ChEMBL
64628,C[NH2+]CCC1C([NH3+])C1CCOCC[NH3+],0,GDB ChEMBL
281168,C[NH2+]C1C2CC(O)CC1OC(C(=O)[O-])CCO2,0,GDB ChEMBL
210702,CC#CC(C)(C#N)C(N)=O,1,GDB ChEMBL
175905,NC1=[NH+]CCOC(CC(=O)[O-])(CC(=O)[O-])O1,0,GDB ChEMBL
124156,NC(=O)NCC1C[NH+]2CC(CO)C1C2C(=O)[O-],0,GDB ChEMBL
280293,CC(=O)N1C(=O)CC([NH3+])CC([NH3+])CC1CC[NH3+],0,GDB ChEMBL
222055,NC(=[NH2+])n1ccc(NCCCO)n1,0,GDB ChEMBL
280821,CCCC1(C)CCC(C)C(C)(C)C1,1,GDB ChEMBL
64121,C[NH+]1CC2CC3CC3C1CN2,0,GDB ChEMBL
378901,CCC(NC(N)=O)c1cc(=O)o[c-]1CO,0,GDB ChEMBL
161787,CC1C2CNC(=O)C(C(O)C[NH3+])CN12,0,GDB ChEMBL
225847,CC1C(N)C1(C#N)NC(=O)C(=O)[O-],0,GDB ChEMBL
359143,CCCc1ccc(C(C)(C)C)c(C)c(=O)c1,1,GDB ChEMBL
195531,CC1=CCCCN(C(=O)C(=O)[O-])C1C(C)C,0,GDB ChEMBL
292910,CCC[NH2+]C1CCN(C)C2(CO)C([NH3+])CC12,0,GDB ChEMBL
247382,C#CCCCOC(C)CCC#C,1,GDB ChEMBL
77334,COCC(CCO)OC1C(=O)C=CC1C=O,0,GDB ChEMBL
208384,COC(CO)C(C)[NH2+]C(CO)C(N)=O,0,GDB ChEMBL
59183,C#CC1(NC(C#N)C=O)C[NH2+]CC1OC(C)=O,0,GDB ChEMBL
107856,CCC1=CCCOC1CC1CCCC1,1,GDB ChEMBL
61692,C[NH2+]CC(O)C(=NO)C1CC1,0,GDB ChEMBL
221939,CC1C2[NH2+]C(CO)CC([NH3+])CC12OC(N)=O,0,GDB ChEMBL
347886,CN1CC([NH3+])(CO)COC(CO)C1C(N)=[NH2+],0,GDB ChEMBL
234391,CCC1CC(C)C=CCCCCC1C,0,GDB ChEMBL
325903,CCC1(C)CC(CO)CCCC1C,1,GDB ChEMBL
10613,CC1(CCCO)CC12C[NH2+]C2,0,GDB ChEMBL
316297,C#CC1(CO)OC(=N)NC(CC(C)=O)C1=O,0,GDB ChEMBL
162488,CNS(=O)(=O)CC1C[NH2+]C2CC12C(=O)[O-],0,GDB ChEMBL
97764,COC1c2cc(C)cn2CC1C,1,GDB ChEMBL
350883,CN(C(=O)CNCC#N)c1ccnc(=[NH2+])[nH]1,0,GDB ChEMBL
115163,CCN=C1CCC2[NH2+]CCC(CCCC2O)O1,0,GDB ChEMBL
29935,CCC(C)N1CC1CC[NH3+],0,GDB ChEMBL
246835,CN1C(C(=O)[O-])C(O)C(O)C1C(N)C[NH3+],0,GDB ChEMBL
199070,CCOC(=O)C(=CCC1CO1)CO,1,GDB ChEMBL
89379,[NH3+]CCCc1c(F)cccc1F,0,GDB ChEMBL
99582,CC1CC(C(=O)[O-])C([NH3+])(C2CN2C)CO1,0,GDB ChEMBL
334071,CC1(C)CCOCCC2CNC(=[NH+]1)NC2,0,GDB ChEMBL
135435,CC1(C)CCC(C)(C)C1C(=O)C1CO1,1,GDB ChEMBL
345812,CCC1CC2[NH2+]CC2C(CCO)C1O,0,GDB ChEMBL
163912,C#CCCC1C(C)C1CCCC(C)C,1,GDB ChEMBL
216475,C=C(C)CC(C#CCS(N)(=O)=O)C[NH3+],0,GDB ChEMBL
8730,CCCC(C)C(O)CC([NH3+])C1CC1,0,GDB ChEMBL
101046,CCCC(C)CC1C([NH3+])CCCC12CC2,0,GDB ChEMBL
380356,NC(=O)NC(N)=Nc1cnc(O)cc1N,1,GDB ChEMBL
61487,OCC1C2C[NH2+]C1c1cccnc12,0,GDB ChEMBL
251419,CCC1C=CCC(=C(C)C)C[NH+]1C,0,GDB ChEMBL
262544,CCC1c2cccc(I)c2C2CCC1C2,1,GDB ChEMBL
264983,O=C1NCC(O)C(O)C12COC(CO)CO2,0,GDB ChEMBL
304485,COC(CO)C1CC(C)N=CO1,0,GDB ChEMBL
27024,C#Cc1c(Cl)c([O-])c(C(=O)NC)oc1=O,0,GDB ChEMBL
192576,CC(C[NH3+])C1=CCCC(O)CC1(C)[NH+](C)C,0,GDB ChEMBL
230404,CCC#CC1(C(N)=O)CCC1,1,GDB ChEMBL
89338,CCCc1c(O)c(O)cc2ccc(Br)c(C)c12,1,GDB ChEMBL
149970,N#CC1C[NH2+]CCCC2OC(C1)C2[NH3+],0,GDB ChEMBL
57309,O=CC1C2C(O)C(C(=O)[O-])[NH2+]C12CO,0,GDB ChEMBL
221404,COC1CC2CC(=O)NC3C1C23C,0,GDB ChEMBL
228447,CCNC(=O)C1=CC([NH3+])C(N)CC1[NH3+],0,GDB ChEMBL
235190,CC1CC2C3CCC(CC3C)C1CC2(C)CO,0,GDB ChEMBL
316460,CCCCC(CC(C)C)C1=CCCC1,1,GDB ChEMBL
372784,CC[NH2+]C1CC(CO)C1COCC,0,GDB ChEMBL
19615,[NH3+]CC1C[NH+]2CC3OCCC[NH2+]CCC3C12,0,GDB ChEMBL
252863,CC#CC1CC1CNC(=O)C1CC1C,1,GDB ChEMBL
189870,CCC(C([NH3+])CN)C1CC1,1,GDB ChEMBL
228331,C[NH2+]CC1=CC2(CO2)C(=O)N(CC(=O)[O-])C1,0,GDB ChEMBL
241131,CN(C)C(=O)CS(=O)(=O)[N-]C=O,0,GDB ChEMBL
257464,COc1ncsc1NCC(O)CC(N)=O,0,GDB ChEMBL
240462,CC1(C2NC(C(N)=O)C(O)CS2(=O)=O)CO1,0,GDB ChEMBL
251884,CC1(C)CCOC1C1C(=O)C2C[NH2+]CCC1C2,0,GDB ChEMBL
398780,CCOCC1=[NH+]CCCCN1,0,GDB ChEMBL
218296,Cc1cc(F)c(C)c(C2CCC2)c1C,1,GDB ChEMBL
389467,CCC(CC)n1cc(Cl)c(OC)nc1=N,1,GDB ChEMBL
304489,N#CCNCCC(=O)NC(=O)Cc1ncno1,1,GDB ChEMBL
201098,CC1C=CC(O)C1C1CCc2cnn(C)c21,0,GDB ChEMBL
70816,NC(=O)CC1[NH2+]CC(=NO)C1C(=O)C(=O)[O-],0,GDB ChEMBL
88135,O=C1OC2C(O)C3CNC1C2OC3,0,GDB ChEMBL
298943,CCC12CC=CC1c1ccc(Br)cc1C2,0,GDB ChEMBL
126643,CCCOC(=O)NC1=CC(C)C(C)(O)C1,0,GDB ChEMBL
330111,CCOCCOC(=O)NCS(N)(=O)=O,1,GDB ChEMBL
337822,CC(COC(C)(C)C)C(C)c1c[nH]nc1C#N,0,GDB ChEMBL
394316,N=C1OC2C(=O)NC(N)=NC1C2O,0,GDB ChEMBL
29753,CCCn1nnnc1C(C#N)(C#N)C=O,1,GDB ChEMBL
96044,C=CCC1C[NH2+]C(C)C=C(CO)C1,0,GDB ChEMBL
218328,CC1CC(C)C(C)C(C)C(C)C1C,0,GDB ChEMBL
205776,CCCOC(C[NH3+])CC1CC1C1C[NH2+]1,0,GDB ChEMBL
339049,CCCC1C(C)C=C(CCC(C)C)C1(C)C,0,GDB ChEMBL
320445,CC(O)CC12NC(=O)C(OC1=O)C2O,0,GDB ChEMBL
358246,NS(=O)(=O)C1=CC(=O)OCCC(=O)N1,0,GDB ChEMBL
244578,CC1CCC2C3CC(CC[NH+]3C)C2(C(C)[NH3+])O1,0,GDB ChEMBL
217353,COC1=NC(C(CO)OCC(N)=O)C(O)C1O,0,GDB ChEMBL
381471,CCC1[NH2+]CC2C(O)C12CO,0,GDB ChEMBL
395140,C#CCC([NH+](C)C)C1(C)CC(C(C)O)C1,0,GDB ChEMBL
18924,CC1c2c(F)ccc(F)c2C2C=CCC12,0,GDB ChEMBL
170463,CC(=O)CC1=C(c2ccc(C)cc2)CCC1,1,GDB ChEMBL
278207,CC1(C(N)=O)COC2CC1C2,0,GDB ChEMBL
51835,CC1NC(=O)C([NH3+])C2C(C1O)C2S(N)(=O)=O,0,GDB ChEMBL
101873,CC1CCCC(O)C(C)C(C)C(C)CC1,0,GDB ChEMBL
45737,CCC1CC2C(C3CCCCC3)CCC2C1C,0,GDB ChEMBL
186031,COCCN(CC#N)c1cnnnn1,0,GDB ChEMBL
33904,NC(=[NH2+])NCCC1CS(=O)(=O)C(C=O)=CN1,0,GDB ChEMBL
391669,CCC(CO)C1=CCCCCC1[NH3+],0,GDB ChEMBL
17470,COC1C(O)CC(=[NH2+])NC1(CO)C(=O)[O-],0,GDB ChEMBL
171351,C[NH+]1CCC2(CO)CCC1C2,0,GDB ChEMBL
26388,CCC(C=NO)C1CC1(C)[NH+](C)CC(N)=O,0,GDB ChEMBL
37276,CC(O)C[NH2+]CCC1C2NC(=N)NC(=O)C12,0,GDB ChEMBL
151226,CCCC1C2C(=CCC2C)CN1C(C)C#N,0,GDB ChEMBL
276078,CC[NH+]1C(C)CC1(C)C(=O)[O-],0,GDB ChEMBL
111931,CC1CCOC(C)CCC(C)(CO)C([NH3+])CC1,0,GDB ChEMBL
312822,CCCC1COC2C(C1)C2(CC[NH3+])COC,0,GDB ChEMBL
28255,CC1CCOCC2C(C(=O)[O-])C2C1(C)[NH3+],0,GDB ChEMBL
124742,CC1CCC(C)C1C1CO1,1,GDB ChEMBL
395625,NC(=O)OC1CC(C(=O)[O-])C[NH2+]C1C=O,0,GDB ChEMBL
389042,C#CC(C)[NH+]1CC(CC)C1CC(C)C,0,GDB ChEMBL
20101,CC1C2CC(OC(=O)CC2O)C1(N)C[NH3+],0,GDB ChEMBL
234440,CC(C(O)C([NH3+])C(N)=O)C1[NH2+]CC1(C)O,0,GDB ChEMBL
354426,C#CC1CC2(C(CC)C(C)C)CC(C)[NH+]1C2,0,GDB ChEMBL
229417,CC1[NH2+]CCC(CO)CC2CC2([NH3+])C1O,0,GDB ChEMBL
51022,CC(Nc1ncsn1)C(C[NH3+])C(=O)[O-],1,GDB ChEMBL
382110,C=CC[NH2+]C1CC2C3C1OCC23C,0,GDB ChEMBL
61551,CCC1C[NH2+]C2C(C)(CO)C2(C(F)(F)F)C1,0,GDB ChEMBL
173746,CC(=O)C1=CC(=[NH2+])NCCN(CC(N)=O)C1,0,GDB ChEMBL
265249,C#CCN(c1cnc(C)cn1)C(CC)C[NH3+],0,GDB ChEMBL
375561,CCc1cc(CC)c(Br)c(CCC(F)(F)F)c1,1,GDB ChEMBL
252082,CCC1CC2Cc3ccc(Cl)cc3C1C2CC,0,GDB ChEMBL
244652,CCCC1CC2C3CCCC1[NH+]2C3,0,GDB ChEMBL
187211,NC(N)=[NH+]C1COC2C(C(=O)[O-])C12,0,GDB ChEMBL
325752,N#C[C-]1C(=O)NC=NC(CS(N)(=O)=O)C1O,0,GDB ChEMBL
239107,CCC(=O)CCCC(O)C#N,1,GDB ChEMBL
205972,C#CCCCC1CC2CCCC(C(C)=O)(C1)C2,0,GDB ChEMBL
164707,CC=C(C)C(C)CC=C(C)CCC,0,GDB ChEMBL
391331,CCCC1(C)C(=O)NCC(C)(C)C([NH3+])C1C,0,GDB ChEMBL
210984,COC1(C)CC(C=O)[NH2+]C1(C)CCCO,0,GDB ChEMBL
360994,CC(=O)CCc1[nH]ncc1C[NH2+]C(C)C,0,GDB ChEMBL
382506,CCC1(C#N)CCC([NH2+]C)([C-](C#N)C(N)=O)C1,0,GDB ChEMBL
289252,CCC#CC1([NH3+])CCCNC(=O)C1O,0,GDB ChEMBL
352864,O=C(NCC(O)CO)Nc1ncon1,1,GDB ChEMBL
11401,CN(C)CC12C[NH2+]C(C1)CS(=O)(=O)CC2O,0,GDB ChEMBL
204783,C[NH+]=C1NCC1(CC(O)CO)C(N)C(=O)[O-],0,GDB ChEMBL
225865,CCC1C(C)CCC1c1cc(Br)c(C)c(Br)c1,1,GDB ChEMBL
393535,C#CC1[NH2+]CCC2CC(C)C1C2CC,0,GDB ChEMBL
348411,CCCc1c(C)cc(F)c2c1CC(C)(C)N2,1,GDB ChEMBL
284409,CC#CC(O)(C(=O)[O-])C(CC)[NH2+]CC,0,GDB ChEMBL
95218,C[NH2+]CCC12OC1CCC2C,0,GDB ChEMBL
260708,[NH3+]Cc1c(O)c2c(c(=O)n1CCO)CCN2,0,GDB ChEMBL
347847,CN1CC=Cc2cc(Cl)ccc21,1,GDB ChEMBL
140277,CC1(CO)NC(=[NH2+])C12C(O)C[NH2+]C2C(N)=O,0,GDB ChEMBL
102338,C=CC1C(=O)NC2(CO)CC2C1O,0,GDB ChEMBL
151083,CCC1C2CC=CCC1C1CCC21,0,GDB ChEMBL
250671,COc1nc(Br)c(N)c(OCC[NH3+])c1O,0,GDB ChEMBL
274125,C=C(C)C1(C)CCC2CCC1CC2,0,GDB ChEMBL
367770,COCCC1=CC(CO)C(O)C=C1,0,GDB ChEMBL
93088,C[NH2+]CCC1(N)C=CC2CC(O)C1[NH+]2C,0,GDB ChEMBL
11418,CCCC12C[NH2+]C(CCCC(C)[NH2+]1)C2C,0,GDB ChEMBL
210953,CC(O)CN1CC(C)(CC#N)C(=N)NC1=O,1,GDB ChEMBL
271314,CCC1CC[NH+](Cc2ccsc2)CC1,0,GDB ChEMBL
22516,COC1(C(N)=O)CCC(C)C1=NO,1,GDB ChEMBL
29608,N=C(NC(N)=O)NC(=O)c1cn[nH]c1,1,GDB ChEMBL
208416,CCc1c(F)c(F)c(C)c(C)c1C(C)C,1,GDB ChEMBL
300930,O=C1NC2CCC3OCC(C2)C13,0,GDB ChEMBL
298074,C[NH2+]CC(C=O)COS(N)(=O)=O,1,GDB ChEMBL
102340,CC1(O)C[NH2+]C1(CO)CC(=O)[O-],0,GDB ChEMBL
93139,CC(=O)CC(=[NH2+])NCc1cnc(N(C)C)s1,0,GDB ChEMBL
392706,C[NH2+]CCNC(=O)c1n[n-]c(=N)o1,0,GDB ChEMBL
41608,CCC(C)C1C2C(CCC1(C)C)C2[NH2+]C,0,GDB ChEMBL
251053,CC(=O)OCC[NH2+]C1CC1,1,GDB ChEMBL
207313,Ic1ccc2cccc(C3CC3)c2c1,1,GDB ChEMBL
306257,CCC1CC2(C#N)NC1(C(=O)OC)C1OC12,0,GDB ChEMBL
119686,COc1c(N)cc(I)c2c(C)[nH]nc12,1,GDB ChEMBL
27793,CCCC(NC(C)=[NH+]C)c1c(C)cccc1C,0,GDB ChEMBL
392494,CCC1[NH+]=C(N)NC(=NC(C[NH3+])COC)C1N,0,GDB ChEMBL
33869,CC(C)OCCOc1nn(CC[NH3+])cc1CO,0,GDB ChEMBL
42561,Cc1nc(C2(CC[NH3+])CCC2)c[nH]1,0,GDB ChEMBL
244283,O=CN1C(C(=O)[O-])C1S(=O)(=O)CCO,0,GDB ChEMBL
199021,CC[NH+]1CC2C3C1CC(CC)(OC)C23,0,GDB ChEMBL
23624,CC1CCC2CC=C(CCCC([NH3+])C1)C2,0,GDB ChEMBL
200566,CCC1C2CC(C[NH3+])CC12C,0,GDB ChEMBL
130866,CC1CC2CCCC(C3CC3)C1CC2,0,GDB ChEMBL
298096,CCCc1ccc2c(F)c(CC)cc(F)c2c1,1,GDB ChEMBL
88191,CC([NH3+])C(O)C(=O)NC1CC1[NH3+],0,GDB ChEMBL
316333,CC[NH2+]CC(N)C(C)C([NH3+])CO,0,GDB ChEMBL
296985,CCC[NH+](CC)CC1(C)CC(=N)O1,0,GDB ChEMBL
94694,CC1OS(=O)(=O)NC1C(CO)C(N)=O,1,GDB ChEMBL
85059,O=C1NCC(O)C2OC2CC1O,1,GDB ChEMBL
218343,CC#CC(CC)C(C)[NH2+]CC,0,GDB ChEMBL
292312,O=C1OCC2CC3NC3C(O)CCN12,0,GDB ChEMBL
307541,C[NH2+]CC1CC(C)=CC2(O)CC2(C#N)C1=O,0,GDB ChEMBL
133021,Nc1cc(CCO)cc(COC=O)n1,1,GDB ChEMBL
163867,Cc1cc(Br)cc2c1CCC(O)C2,1,GDB ChEMBL
385925,CN1CC(C(N)=O)C=CCC=CC=CC1=O,0,GDB ChEMBL
274063,CCC(O)(C(C)C)C(F)(F)F,1,GDB ChEMBL
165669,O=[N+]([O-])c1nccc2n[nH]cc12,1,GDB ChEMBL
76835,N#CCCOC(=N)C1(N)CNC(=O)C(=O)NC1,1,GDB ChEMBL
4743,Cc1cnn(CC=O)c1CO,1,GDB ChEMBL
51833,CC1OCC(C(=O)NC=N)NC(C(N)=O)C1O,0,GDB ChEMBL
106998,Cc1cc(OC=N)c2c(=O)nc(N)cnc2c1,0,GDB ChEMBL
10588,CCOCC(C[NH3+])CC1C(C)=CCC12CC2,0,GDB ChEMBL
95191,CCC1CC(CC(C)(C)C)C(C)CC=C1C,0,GDB ChEMBL
283445,CN=C(CO)N1CCCOC1=O,1,GDB ChEMBL
61677,CC1[NH+](C)CC=CC(=O)NC2CCC1(O)C2,0,GDB ChEMBL
160068,C1CN2CC3[NH2+]C4CC3C(O1)C42,0,GDB ChEMBL
335521,C#CCC(CC#C)c1ccc(O)cc1N,0,GDB ChEMBL
284748,C#CCCc1ccc2c(c1)C1=C(CCC1)C2,1,GDB ChEMBL
372213,CCOC1CN(S(=O)(=O)C(C)C=O)CC1C,1,GDB ChEMBL
257488,C#CC1=CC=CC(CC(C)(C)C)C(C)C1,0,GDB ChEMBL
292973,CC1NC(=O)C(N)C2(C(N)=O)C(CO)C12,0,GDB ChEMBL
153310,CC1=CC2C(C)(C)CCCC(C1)C21CC1,0,GDB ChEMBL
195504,CCC1OCC(O)C12CC2CC(C)C,0,GDB ChEMBL
300246,CCC1CC(C)C(C(C)[NH3+])(C(C)O)OCC[NH2+]1,0,GDB ChEMBL
238592,CCC(C)CC(C)C(C)(C)CC1CC1C,0,GDB ChEMBL
387333,CC(O)C1CCC2C(C1)C[NH+](C)C2C,0,GDB ChEMBL
333612,C#CC(Oc1nccs1)C1CC[NH2+]CC([NH3+])C1,0,GDB ChEMBL
296632,CCC1CC=CC[NH+]2CC1C2,0,GDB ChEMBL
386196,C#CC12CCCC(C[NH+]1C)C(C[NH3+])C(OC)C2,0,GDB ChEMBL
29641,CCC(CC1C(=O)c2[nH]ccc2C1(C)C)[NH2+]C,0,GDB ChEMBL
291479,CC(C)C1C2CC1C1C[NH2+]CC12,0,GDB ChEMBL
309798,C#Cc1c[nH]cc1OCC(CC)C[NH3+],0,GDB ChEMBL
56650,C#Cc1ccc2sc3c(c2c1)C(C)[NH2+]CCC3,0,GDB ChEMBL
279100,CCN(C)C1CC(C)[NH2+]CC1C1CC(C)C[NH2+]1,0,GDB ChEMBL
40387,CC1NC(N)=NC(C#N)(C=O)C(=O)OC1CO,0,GDB ChEMBL
243357,COC1CC2CCC(C)C(CC([NH3+])C2)O1,0,GDB ChEMBL
330799,C#CC(C#CC[NH2+]C)CCCC=C,0,GDB ChEMBL
76361,CC1=CC2CCCC(C1)C2C,1,GDB ChEMBL
25254,CCCC(=O)N1C2CCC3(CC[NH2+]3)C21,0,GDB ChEMBL
38756,COCC(CCO)C(=O)[O-],0,GDB ChEMBL
372490,C#CC(C#C)C(C)([NH3+])C1CCCCC1(C)CO,0,GDB ChEMBL
174267,CC1(O)C(C(N)=O)NC(=O)C2CC21,0,GDB ChEMBL
317319,CCS(=O)(=O)NCC(N)(C#N)CO,1,GDB ChEMBL
332480,C[NH2+]CC(N)C1OC1C1(O)CC1,0,GDB ChEMBL
182233,CCC(C[NH3+])C1CC([NH3+])CNCC2CC[NH+]21,0,GDB ChEMBL
79487,CN(C)C1CNc2c(cc(=N)[nH]c2O)OC1=O,1,GDB ChEMBL
8660,NC(=[NH2+])NC1(CO)CC1OS(N)(=O)=O,0,GDB ChEMBL
246795,CC#CC(CC(=O)[O-])N(CC[NH3+])C(C)(C)C,0,GDB ChEMBL
260160,CCCC1C2C[NH2+]C3CC2CC31,0,GDB ChEMBL
360809,CCC(C)(C)C1CCCC(C)C1C#N,1,GDB ChEMBL
367653,CN1CC(N)(S(N)(=O)=O)CCCCC1=O,0,GDB ChEMBL
322003,CCC([NH3+])C1=CC(C)C(=O)NC1C(=O)[O-],0,GDB ChEMBL
279082,CCCC1(C(O)C[NH3+])CC1C,0,GDB ChEMBL
265505,CC1c2cc(F)c(F)c(C#N)c2OC12CC2,1,GDB ChEMBL
369841,CCCc1ccoc1C(N)=O,1,GDB ChEMBL
132173,CNC(=O)NCC([NH3+])CCc1nn[nH]n1,0,GDB ChEMBL
95880,C#Cc1c(Cl)cc(C)c(Cl)c1C1(C)CC1,1,GDB ChEMBL
236698,COC(=O)CCc1ncns1,1,GDB ChEMBL
184136,CCC1C(C[NH3+])CC(OC=O)C1O,0,GDB ChEMBL
247565,CC(=O)C1(C)C=CC(O)C1,1,GDB ChEMBL
398769,C#CC(C=O)NC(=O)C(=O)NC(=N)N,1,GDB ChEMBL
333061,C#CC1N=C(NC)N(C)C1=O,0,GDB ChEMBL
317158,COC(C)C1C2C=C(C#N)CC[NH2+]CCN21,0,GDB ChEMBL
304313,N#CCNC1C2COC1(C(=O)[O-])C[NH2+]2,0,GDB ChEMBL
177320,CCC1(C)[NH2+]CCC(C)C2CC(C)CC21C,0,GDB ChEMBL
228775,CC1=CCC2(CCCC2)CC(=O)CC1,0,GDB ChEMBL
312821,C[NH2+]C1CC2CC1C2(C)CC#N,0,GDB ChEMBL
68507,CCC[NH+](CCC1C=CC[NH2+]1)C(C)(C)C,0,GDB ChEMBL
233951,[NH3+]CCC(O)C#CC(=O)[O-],0,GDB ChEMBL
54073,CC12CCCC([NH3+])CC1CC1CC12,0,GDB ChEMBL
181401,O=C1[N-]S(=O)(=O)CC1NS(=O)(=O)CCO,0,GDB ChEMBL
173869,CC#CCC1(C)CCCC(CC)CC1C,0,GDB ChEMBL
392712,CCCC1C#CCC(C)CC(O)CC1,1,GDB ChEMBL
296320,CCC1(C(C)=O)CNC(C(N)=O)CN1,0,GDB ChEMBL
35704,CC([NH3+])C1C(OC(N)=O)C1C(N)=O,0,GDB ChEMBL
93133,C1CC2(CCC1C1C[NH2+]1)CC2,0,GDB ChEMBL
233480,CCC1=C(C)c2c(cc[nH+]c2N)OC1,0,GDB ChEMBL
13843,CC[NH2+]C(C(C)N)C(C)NC(N)=O,0,GDB ChEMBL
358849,C=C1CCC=C1C(=C)CC(=O)OC,1,GDB ChEMBL
273693,CC(O)CNC1C(=O)C(O)C(O)C1O,0,GDB ChEMBL
55501,CC(C)c1ccc(N)c(Cl)c1,1,GDB ChEMBL
72405,CCN1CC#CC=CCCC1=O,1,GDB ChEMBL
116360,CC12C=CC[NH2+]C1C(=O)NC2,0,GDB ChEMBL
271338,CCC1([NH3+])C(O)C1N1CC([NH3+])C(O)C1=O,0,GDB ChEMBL
348004,N#CC1CCC([NH3+])C2CCN12,0,GDB ChEMBL
107012,CCC(C)C(C)C(C)C1CC(C(C)C)[NH+](C)C1,0,GDB ChEMBL
134471,CC#CC1CCCC#CCC[NH+](C)C1,0,GDB ChEMBL
112505,CCC1(C)C(C)CC(C(C)C)CC(C)C1(C)C,0,GDB ChEMBL
343239,CC1COC2(C1)CC2(CO)NC(N)=[NH2+],0,GDB ChEMBL
320740,N=C(N)C(=O)c1cncc(N)c1NC(N)=[NH2+],0,GDB ChEMBL
157677,CCC(C)CC1C=CC(C)CC1,1,GDB ChEMBL
126637,C#Cc1c(F)c(NC=O)c(O)c(O)c1CC[NH3+],0,GDB ChEMBL
190857,CCCCNC1(C)CC(=O)[N-]S1(=O)=O,0,GDB ChEMBL
44377,CCC1=CCC=CCC1C(C)(C)CC,1,GDB ChEMBL
181573,CC(CC1CCC1=O)[NH+](C)C,1,GDB ChEMBL
354622,CC1CC[NH2+]C2(C)CC1CC(O)C2C,0,GDB ChEMBL
365684,CC1CC2[NH2+]C(CN)C2C1O,0,GDB ChEMBL
305279,N=C(NC(=O)C([NH3+])CO)C(N)=O,1,GDB ChEMBL
80311,Cc1c(Cl)c(NC2CC2)c2c[nH]cc2c1N,1,GDB ChEMBL
68677,CC(O)C(O)CS(=O)(=O)CCOC1(C)CC1,1,GDB ChEMBL
49145,NC(=O)NCC(=O)C1C[NH+]=C(N)C1,0,GDB ChEMBL
182130,NC(=O)C1CC2(O)CC2[NH2+]CC1O,0,GDB ChEMBL
273852,C=CC(CC)CC(C)([NH3+])C#CCO,0,GDB ChEMBL
302330,CCC(CO)[NH2+]C1COC(CO)(CC(C)[NH3+])C1,0,GDB ChEMBL
307967,NC(=O)C1(CO)CC(O)C(CO)O1,0,GDB ChEMBL
1935,CCC(C)=CC=CCC1CCCO1,1,GDB ChEMBL
80517,CCC(C)(CCCCC(C)C(C)(C)C)C(C)C,1,GDB ChEMBL
82144,CC=CCC(=CC)CCCC(C)C,1,GDB ChEMBL
376057,Cc1c(N)ccc2c1C(C)CC2,1,GDB ChEMBL
233915,CCN(C)C1=[NH+]CC=C(C(C)=O)CC1,0,GDB ChEMBL
358584,CCC([NH3+])CNS(=O)(=O)CN(C)C(N)=[NH+]C,0,GDB ChEMBL
244653,CC(C)CC1(CNC(=[NH2+])CCNC=O)CC1,0,GDB ChEMBL
126850,Cc1cc(F)ccc1C([NH3+])C1CC(C)C1,0,GDB ChEMBL
229444,CC1C[NH2+]C(C)C(C)C(O)C1C(=O)[O-],0,GDB ChEMBL
330360,[NH3+]CC1CC2OC(=O)C2C(=O)N1,0,GDB ChEMBL
165209,CCN1CC(n2ccc(CCO)cc2=O)C1,1,GDB ChEMBL
348844,CC1C(C#N)C(O)C(C([NH3+])CO)NS1(=O)=O,0,GDB ChEMBL
203319,C[NH+]1CC2CC2C2C(=O)CCC21,0,GDB ChEMBL
249417,CC1C(N)=[NH+]CC([NH3+])C2COC(=O)C12,0,GDB ChEMBL
64102,CC1C2[NH2+]C3CCC(O)(C2=O)C31,0,GDB ChEMBL
6535,C[NH+]1CCC(O)CC2CC1C(O)C2(C)C(N)=[NH2+],0,GDB ChEMBL
48738,CNC(C#N)CCC1CC[NH2+]C1,0,GDB ChEMBL
22561,C#CCC1CC(CCC)CC1C=C,1,GDB ChEMBL
48082,CCC([NH3+])C(C#N)CC(=O)OCC(N)=[NH2+],0,GDB ChEMBL
29607,CC1C(CCNS(C)(=O)=O)OC2C1C2(C)[NH3+],0,GDB ChEMBL
16771,CC1CN1CCCC1CO1,1,GDB ChEMBL
225855,CC[NH+]1CC1C(C(C)C)C1CC1,0,GDB ChEMBL
18944,C#CC1C(=O)C(O)CC1C(C)C(=O)OCCO,0,GDB ChEMBL
5860,CCCCc1c[nH]c(C)c1,1,GDB ChEMBL
222865,C#CC1(C)C([NH2+]C)C(=O)N1CC#N,0,GDB ChEMBL
392781,CCOC(C)CC1(C)CC2CC(C[NH3+])C[NH+]1C2,0,GDB ChEMBL
112553,COC(=O)C12CCCN1C2,1,GDB ChEMBL
244569,COc1coc(CNCC=O)c1C#N,1,GDB ChEMBL
119439,CCN1C(=O)C(O)CCCOS1(=O)=O,0,GDB ChEMBL
137427,CC12C=CC3(CC3)C1Cc1ccc(Cl)cc12,0,GDB ChEMBL
147434,C[NH2+]C1CC2NC(C(O)CCCO)C(=O)C21,0,GDB ChEMBL
308101,O=C1CCCC[NH2+]C2COCCC12,0,GDB ChEMBL
301391,CNC(=O)NC(=O)c1nonc1N,1,GDB ChEMBL
60675,COCC1N=C(N)OC2C(=O)CN(C)C1C2O,0,GDB ChEMBL
300257,NC(=[NH2+])N1CC2NC(=O)C3(O)CCC1C23,0,GDB ChEMBL
77775,CCCCC1C(C)C2C3C1CCC=CC[NH+]23,0,GDB ChEMBL
297281,C#Cc1ccc(Cl)c2c1C(C)CC2CC,0,GDB ChEMBL
134468,CCC1C2C(C[NH3+])C2(O)CC(O)C[NH+]1C,0,GDB ChEMBL
231096,C1=CC2CCC3CC3CC(CC1)[NH2+]C2,0,GDB ChEMBL
94888,C=CC([NH3+])C=C1CCCC(OC)C1,0,GDB ChEMBL
132827,CC1CC2(C)C[NH+]1CC=CC(=O)O2,0,GDB ChEMBL
149415,COC(C)C1CC1C1(CO)CC1,1,GDB ChEMBL
20739,CCCC12CCC3C(c4ccc(F)cc41)C32,0,GDB ChEMBL
273959,NC(=[NH2+])c1n[nH]c(=O)c2nc(N)sc12,0,GDB ChEMBL
111900,C=C(C#N)CCC(C)OCC(C)O,1,GDB ChEMBL
195516,CC1CCC2CC1(CO)C(C(=O)OCC[NH3+])O2,0,GDB ChEMBL
285742,C#CC1[NH+]2CCC1(CCCCC(F)(F)F)CC2,0,GDB ChEMBL
153275,CC(COCc1cncs1)CC1OCCC1C,0,GDB ChEMBL
143450,CCC(C)CCCC1C2CCC(C)C1CC2,0,GDB ChEMBL
215431,CCCC(C)C1(C2CO2)CCCO1,1,GDB ChEMBL
106653,C=C(C(N)=O)C(=NC)OC1CCC1,1,GDB ChEMBL
6027,CC1C2C3CC(CC2(C)C[NH+]1C)C3(C)C,0,GDB ChEMBL
360830,CC1(O)C[NH2+]C(C(=O)[O-])C2(CO)CC12,0,GDB ChEMBL
308221,CCC1C2CC=C(c3ccc(Cl)cc3)C12,1,GDB ChEMBL
299214,CCC([NH3+])C1CCCC(CCNC=O)C([NH3+])C1,0,GDB ChEMBL
288475,C#Cc1scnc(C[NH3+])cc(NCC)nc1C,0,GDB ChEMBL
130874,COCCC[NH2+]C1CCOC(=O)C1,0,GDB ChEMBL
310300,CCCC1C2CCCC(C(C)C)(C2)C1[NH2+]C,0,GDB ChEMBL
268185,Cc1ccnc(NCC#N)c1F,1,GDB ChEMBL
332703,CC1=CCCCC2CCC2(C)CC1,0,GDB ChEMBL
345468,Oc1c2c(c(Cl)c3cc[nH]c13)CCCC2,1,GDB ChEMBL
135803,CCC([NH2+]C)C1(OCC(N)=O)CCC1O,0,GDB ChEMBL
69593,CCC1CC2(C)CC1C(C)C2CCCO,0,GDB ChEMBL
384819,C#CCCC(C)C([NH3+])CC,0,GDB ChEMBL
363031,Cc1c(C(C)C)c2ccccc2n1C,1,GDB ChEMBL
361016,C=CC1(CC(C)C(N)=O)NC1C[NH3+],0,GDB ChEMBL
292673,CCCC([NH3+])CC(C)C1([NH3+])CC[NH2+]CC1,0,GDB ChEMBL
141994,CNC(=O)Cc1[nH+]c(N)n(C)c1N,0,GDB ChEMBL
324057,C#Cc1onc(C(N)=O)c1[N+](=O)[O-],0,GDB ChEMBL
144635,[NH3+]C12CC3OC(=O)C1C2NC3=O,0,GDB ChEMBL
115587,C#CC1(O)CC(C[NH2+]C)N(C)C(C)C1[NH2+]CC,0,GDB ChEMBL
391645,C#CC1CC1N(C)C(C)=O,1,GDB ChEMBL
76446,C1CC[NH+]2CCC3C(C4CO4)CCC(C1)C32,0,GDB ChEMBL
288576,CC1C2C(CO)NC(=O)CC(O)C12[NH3+],0,GDB ChEMBL
226280,CCC1C(C)CC(O)C1C(C[NH3+])C(=O)[O-],0,GDB ChEMBL
363130,CC1OC2CCCCC(C)C2O1,1,GDB ChEMBL
11396,CC1(C#N)CC(C(=O)[O-])NC1S(N)(=O)=O,0,GDB ChEMBL
24515,CC#CCC(CCCC)C1(C)CC2CC1C2,0,GDB ChEMBL
115918,NC(=O)CC1C(=O)OCOC12C[NH2+]C2,0,GDB ChEMBL
84269,COC(C)c1[nH]c2cc(Cl)cnc2c1N,0,GDB ChEMBL
44091,[NH2+]=C1NC2CCCC1C2C(=O)[O-],0,GDB ChEMBL
64656,CCNC(=[NH2+])C1(CC#N)CC(C)[NH+](C)C1,0,GDB ChEMBL
365809,CCC1[NH2+]C(C)C(C#N)(C(C)C)CNCC1C,0,GDB ChEMBL
238169,CCCOc1cn(C=O)c(OC)c1C(C)CC,0,GDB ChEMBL
379191,O=CNCCn1cc([N+](=O)[O-])c(CO)n1,1,GDB ChEMBL
119790,Cc1ccc(C(N)C[NH3+])[nH]c1=O,0,GDB ChEMBL
123043,CC(=O)NC1C([NH3+])C2OC2C1NC(N)=O,0,GDB ChEMBL
390105,C#CCC1CC1CC(C)(C)C#N,1,GDB ChEMBL
25257,CC(O)C1C2COC(=N)OCC([NH2+]2)C1C(N)=O,0,GDB ChEMBL
148817,CN=C(NC(N)=O)OCC(O)C(C)CO,1,GDB ChEMBL
1920,[NH3+]CCC(C(O)C[NH3+])N1CCC1,0,GDB ChEMBL
311692,CCOC1C[NH2+]C2CC3CC(C)CC(C3)C21C,0,GDB ChEMBL
195518,CN1CC([NH3+])C(C[NH3+])(Cc2ccccc2Cl)C1,0,GDB ChEMBL
190097,C#CCC1OC2CC(CC2C)C1NC(N)=[NH2+],0,GDB ChEMBL
284300,C#CCC1(C)CC1C(NC(C)=O)C(C)CC,0,GDB ChEMBL
398874,CCCC1C([NH2+]C)CC2C(C)CCC2C1C,0,GDB ChEMBL
10610,CN(C(N)=[NH2+])C1C2NC1(C[NH3+])CC2C(=O)[O-],0,GDB ChEMBL
198641,CCCC1(c2ccc(C[NH3+])cc2F)CO1,1,GDB ChEMBL
21482,CCC1(CO)C(=O)N(C)CC1(O)C#N,1,GDB ChEMBL
288549,CC1CCCC[NH+]=C2NC=NC1CN2,0,GDB ChEMBL
128291,Oc1cc(Cl)c2c(c1)OCOC2,1,GDB ChEMBL
271127,Cc1cc(C(C)O)c(O)ncnc(C=O)cn1,0,GDB ChEMBL
146036,CC(O)C(O)C(O)C1OC1CC[NH3+],0,GDB ChEMBL
317154,Cc1cc(Br)cc(C2CC(C)C3CC23)c1,1,GDB ChEMBL
332699,C#CC[NH2+]C1(C(C)CC)CC(C)=C(C)C1,0,GDB ChEMBL
307508,CCNC(=O)c1oc(COC)c2c1COC2=O,0,GDB ChEMBL
395161,CCCC1CC2CC1C(C)[NH+]2C(C)(C)C,0,GDB ChEMBL
126624,NC(=O)C1C(O)C(C(N)=O)N1C(N)=O,0,GDB ChEMBL
84487,C#CC(C)([NH2+]C)C1CC(CCCC)CC1(C)O,0,GDB ChEMBL
198851,CC1(C#N)C(CO)NS(=O)(=O)C1CC[NH3+],0,GDB ChEMBL
340528,CC=C1CC2CC(C)C(C)CC2C1,1,GDB ChEMBL
122723,CC(C)OC(=O)c1cc2c(o1)COCCN2,1,GDB ChEMBL
395965,CC(O)C1CC2CC(C(=O)C2CCCO)C1C,0,GDB ChEMBL
18675,C#CC[NH2+]C1CC(CC)(CC(C)C)C(C)C1C,0,GDB ChEMBL
340491,C#CCCc1ccc(F)cc1C#CC1CC1,1,GDB ChEMBL
370280,O=S(=O)([O-])CCCC(O)C1CN1,0,GDB ChEMBL
212559,CC1C=C(C#N)C(=O)OCC(C)(O)C1,1,GDB ChEMBL
247489,CC1=CC2CCC1C[NH2+]2,0,GDB ChEMBL
97089,N=C1NC(C2CC(=O)CCO2)CN1C(N)=O,0,GDB ChEMBL
81109,C[NH2+]C1C[NH2+]CCC2(CC2)C1,0,GDB ChEMBL
380380,CCC#CC(CC)c1ccc(CC)c(F)c1,1,GDB ChEMBL
1442,CCC(=O)C1=CCC(C(CO)OC)C1,0,GDB ChEMBL
29734,NC(=O)C1N=CN(CCO)C1C=O,0,GDB ChEMBL
378292,CC#CCc1ncc(CC)cc1N,1,GDB ChEMBL
113575,CC(=O)N(C)C1(C)C(N)C1C#N,0,GDB ChEMBL
333613,CCC(CC1CCCC1)C1CCC1C,1,GDB ChEMBL
163356,Cn1ccc(=O)nc1NCC1CC1,1,GDB ChEMBL
319304,C#CCC(O)C1C(NC(N)=O)CC2CC[NH2+]C21,0,GDB ChEMBL
185316,CCC(C)C(C)C(C)(C)C1CC[NH+](CCN)C1,0,GDB ChEMBL
386171,COc1cc(=O)nc(C)n1CCO,1,GDB ChEMBL
116085,COCC#CCC(O)C1[NH2+]CC1O,0,GDB ChEMBL
225853,CCc1c[nH]c(C)c1C1(O)CC1,1,GDB ChEMBL
230425,CNS(=O)(=O)C(C#N)C(C)C(=O)[O-],0,GDB ChEMBL
393526,CC(C)CN1CC(=O)C2C(CO)C2[NH+]=C1N,0,GDB ChEMBL
389651,CNc1ccn(C)c(=O)c1C(F)(F)F,1,GDB ChEMBL
391460,CNC(=O)C1C(=O)OCC(N)C(N)(C[NH3+])C1O,0,GDB ChEMBL
233893,COC1(C)C=CCC(O)C(O)(CO)C1,0,GDB ChEMBL
383024,Cc1cccc2c1C1CC(C)(C)C1(C)C2,0,GDB ChEMBL
6856,NC(C(=O)[O-])C1([NH3+])C2CC(=O)NC1C(O)C2O,0,GDB ChEMBL
338609,CCC(C(C)=O)C(OC=N)C(=O)NC,1,GDB ChEMBL
170400,CC12CCCCC1CC(=[NH2+])N2CCC([NH3+])CO,0,GDB ChEMBL
97725,NCC1CC2(O)C[NH+]1CCNC2=O,0,GDB ChEMBL
13182,CCC1CCc2cccc(F)c2C[NH+]1C,0,GDB ChEMBL
115957,CCC(O)CC1OCC(C(C)C)C1C,0,GDB ChEMBL
139848,CC1CCC(C)(C)CC(=O)C(O)C(C)(C)[NH2+]1,0,GDB ChEMBL
174257,C#CCn1cc2c(c1C)CCCC2,1,GDB ChEMBL
369891,NC(=O)OC1C2NCC(C([NH3+])C2O)C1C(N)=O,0,GDB ChEMBL
62794,Cn1ccc2c(C3(C)CC3)cnc(Br)c21,1,GDB ChEMBL
338315,CC#CC(C(C)CC)C(CC)C(C)C,0,GDB ChEMBL
11267,C[NH2+]C(CC(C)[NH3+])CS(N)(=O)=O,0,GDB ChEMBL
246959,COc1cnn(C)c1[NH+]=C(N)N,0,GDB ChEMBL
355810,CC1CC2CC3C1OC2(C)CN3C,0,GDB ChEMBL
280688,CC(CC1(C#N)CCC(C(C)C)C1[NH3+])C(=O)[O-],0,GDB ChEMBL
199096,Nc1cnc(Nc2cn[nH]c2)nc1,1,GDB ChEMBL
214893,N#CCCn1cnc(O)c1NCC(N)=O,1,GDB ChEMBL
20512,Nc1cc(Br)c(NCCC[NH3+])c(N)c1O,0,GDB ChEMBL
5319,[NH3+]CC(CO)C1=[NH+]CCN1,0,GDB ChEMBL
363776,CCC(C)c1cc(C[NH3+])c2n1CCCCC2,0,GDB ChEMBL
362005,CS(=O)(=O)NC(=N)c1cc[nH]n1,1,GDB ChEMBL
261355,CC1[NH2+]C2C1NS(=O)(=O)C2CC([NH3+])C(=O)[O-],0,GDB ChEMBL
300216,[NH3+]CCCC1[NH2+]CC(O)C2CC1C2,0,GDB ChEMBL
288573,COC(=O)C1NC(C)(CO)C1O,0,GDB ChEMBL
124507,NC(=O)Cc1ncncn1,1,GDB ChEMBL
122690,COCCC1(C)OC(C)CCC2CC1C2,0,GDB ChEMBL
338543,NC(=O)NC1C2COC(OC2=O)C1[NH2+]CCO,0,GDB ChEMBL
173161,CCC(C)NC(C#N)C#CCO,1,GDB ChEMBL
65946,CNc1ccc2c([nH+]1)NCC2N=C(C)OC,0,GDB ChEMBL
76771,CCCC1(C(C)C)CCC(CCCO)C1CC,0,GDB ChEMBL
337805,CNC(C#N)C(CO)C(C)[NH3+],0,GDB ChEMBL
319193,O=C1NC=CC2C3CN(CC[NH2+]3)C12,0,GDB ChEMBL
215311,O=S1(=O)NCCC=CCCCCC1C1CO1,0,GDB ChEMBL
318046,CC(C(=O)[O-])C(C=O)NC(N)=O,0,GDB ChEMBL
143785,CCCC(C)C1=CCCC1[NH3+],0,GDB ChEMBL
235994,N#CC12CCCC1C1C2N=C(N)N1CCO,0,GDB ChEMBL
74332,CC1CCC(C2CC(CO)C2)CC1,0,GDB ChEMBL
344393,CC1(C)CC2CC(O)C(=O)C23CC(=O)NC13,0,GDB ChEMBL
246952,CCC1CC(C)(C)CC2CCCC=C(C)C12,0,GDB ChEMBL
294462,CCOC1C(O)CC=C2CN3CC3C21,0,GDB ChEMBL
174934,CC#CCCCC#CC(CO)C(C)(C)C,1,GDB ChEMBL
362014,CCC(CO)C1[NH+]=CN(C)C(C)C(C[NH3+])C1O,0,GDB ChEMBL
240786,CCCCC12C3CC(CO)OC1C2C=C3C,0,GDB ChEMBL
69576,COC1CN2CC2CC(O)C(O)C1[NH3+],0,GDB ChEMBL
34791,CC[NH2+]C1C(O)CC=CC2(C#N)CC12,0,GDB ChEMBL
112846,CN1C(=O)C2CN2CCC1C[NH3+],0,GDB ChEMBL
124134,CC([NH3+])CCNC1CC(=O)N(C)C1=N,0,GDB ChEMBL
374929,C#CC1=CC(CC)(COC)[NH2+]C1,0,GDB ChEMBL
283979,COC(C)CN1CC1(CCO)CC(C)CO,0,GDB ChEMBL
257981,CC1C([NH3+])C(NC(N)=O)CNS1(=O)=O,0,GDB ChEMBL
246925,[NH3+]CCCOCCn1nc[nH]c1=O,1,GDB ChEMBL
100744,Cc1c2cc(O)cc1OCCC1CC(C2)C1,1,GDB ChEMBL
84245,CCCC1C2CCOC1C(C)C(C)O2,1,GDB ChEMBL
258745,CC12CCCCc3c(Cl)ccc(c31)C1CC12,0,GDB ChEMBL
160837,CC1CC2(CCC(=O)CC2)C(C)(CCO)O1,0,GDB ChEMBL
252110,OCC1C2C3CCCC([NH2+]C3)C12,0,GDB ChEMBL
352836,CN1C2C(=O)C(NC(N)=[NH2+])C(O)C21,0,GDB ChEMBL
305365,CCC1CC2CC1CCC1C[NH+](C)CC2C1C,0,GDB ChEMBL
374215,CC1NC(=O)C2C([NH3+])CC1C21CO1,0,GDB ChEMBL
218352,N#CC1NC(=[NH2+])N2C(CCO)C12,0,GDB ChEMBL
301500,C#CC(=O)NCCOC1(C)CCCC1O,1,GDB ChEMBL
296262,C=C(C#CC)C(OCC)C(F)(F)F,1,GDB ChEMBL
201017,CC(COc1cc(Cl)cc(Cl)c1)CC(C)(C)C,1,GDB ChEMBL
130390,COC12C(C)CCC1NC(=O)C1CC12,0,GDB ChEMBL
173985,C=C(CC)C(CC)CC=CC(C)C,1,GDB ChEMBL
29469,CC1CCC(C2CCC3CC(C)CC2C3)CC1,0,GDB ChEMBL
280596,CC1C[NH+]2Cc3[nH]ccc3CC1(C(=O)[O-])C2,0,GDB ChEMBL
55532,CC#Cc1cc(C)c(C(N)=O)c(=O)o1,1,GDB ChEMBL
305361,Fc1cc(F)c2c(c1)C1(CCC1)CC2,1,GDB ChEMBL
99417,COCC1(C)CCC1C#N,1,GDB ChEMBL
194252,Cc1nc2nnn(CC(=O)[O-])c2cc1N,1,GDB ChEMBL
281179,C[NH+](CCO)CC(C)(CC=O)OCC(C)(C)C,1,GDB ChEMBL
289801,CCC(=O)Nc1c[nH]c(O)cc1=O,1,GDB ChEMBL
208411,CCc1cc(CC(O)C#N)c(C)c(N)c1C#N,1,GDB ChEMBL
345436,C#Cc1c(Br)c(C)c(C)c2c1CCCCC2,1,GDB ChEMBL
81758,CCCC1CC(C)(O)C(=O)C(=O)O1,1,GDB ChEMBL
23617,CNC(=O)OC1CC2CC([NH3+])C(N)=[NH+]C2C1O,0,GDB ChEMBL
44357,CC#CC(=O)NCCC12C=C(C)CC(C1)C2,0,GDB ChEMBL
47991,CCC#CCC(C)C(C)(C)C(F)(F)F,1,GDB ChEMBL
390103,NC(=[NH2+])C(C(N)CO)N1CC1C(=O)[O-],0,GDB ChEMBL
6549,C#CC1(C2CCC(=O)N2)CC1,1,GDB ChEMBL
239357,CCC(C)(C[NH3+])CC(N)=[NH2+],0,GDB ChEMBL
365770,C#CCCCCCC(C)=NO,0,GDB ChEMBL
34907,CC1N2C(C(O)CO)CN(C)C(=O)C12C,0,GDB ChEMBL
151797,CCCC1Cc2cc[nH]c(=[NH2+])nc(C)sc2C1,0,GDB ChEMBL
22618,CCC1C=C(C)CC2CCCCC[NH+]12,0,GDB ChEMBL
273843,CCCCCCc1c[nH]c(=[NH2+])c(CC(=O)[O-])c1,1,GDB ChEMBL
38150,O=C1NCC(CCO)OC(=O)NC(=O)N1,1,GDB ChEMBL
282246,CCCC1OC1(COC)C(O)CC[NH3+],0,GDB ChEMBL
22564,CCC(C)CC1C2CC=C(C)CCC21C,0,GDB ChEMBL
276166,NC(=[NH2+])CC(=O)NC(=O)C[NH+]=C(N)N,0,GDB ChEMBL
112894,[NH2+]=C1CC2CC(CO)[NH2+]CC2N1,0,GDB ChEMBL
110240,CCCC(C=O)C(C)CO,1,GDB ChEMBL
274011,CCC(N)(CO)CNC(N)=[NH2+],0,GDB ChEMBL
94902,NC(=O)NC(CO)C(=O)[C-](C=O)C(N)=O,0,GDB ChEMBL
197439,CC(O)C1NC(=O)OCCC([NH3+])C(N)C1C,0,GDB ChEMBL
358243,CC12CCc3ccc(Br)cc3C1=CC1CC12,0,GDB ChEMBL
214913,Cc1cnc(CC(=O)[O-])nc1NC=N,1,GDB ChEMBL
53296,CC1NS(=O)(=O)C2C(C(=O)[O-])OC(=O)C12,0,GDB ChEMBL
342378,C#CC1NC(=NC2CC(=O)N(CC)C2)NC1=O,0,GDB ChEMBL
243334,CNCC(=N)OC(C)(C(N)=O)C(=O)OC,1,GDB ChEMBL
147369,CCC1CCC(C)CC[NH2+]C1CC,0,GDB ChEMBL
210405,CCc1ncnc(C([NH3+])CO)c1CO,0,GDB ChEMBL
103908,CC1(C[NH3+])C(CO)(CC(=O)[O-])C1(N)C(=O)[O-],0,GDB ChEMBL
320483,CNC(=O)C(CO)Nc1ccsn1,1,GDB ChEMBL
44588,CNC(=O)NC(=O)C1C[NH+]=C(N)N1,1,GDB ChEMBL
124819,C=C1C(O)C(C)(C)C1NC(=O)OC,1,GDB ChEMBL
221686,CCC1C2C=CCC(O)C1C(C(C)O)C2=O,0,GDB ChEMBL
50922,CC1(CO)COCC([NH3+])CC(CO)OC(=O)N1,0,GDB ChEMBL
288926,C#CC([NH3+])C(C)CC(=O)[O-],1,GDB ChEMBL
372588,CC1CCCC2(O)C3C(C1)NC(=O)C32O,0,GDB ChEMBL
394250,CC(N)(C#N)C1CCCCCC1,1,GDB ChEMBL
160970,CCN1CC2([NH+]=C(N)N)CC2C(O)C1=O,0,GDB ChEMBL
17102,O=C1C2CCOC1CC(O)C[NH2+]C2,0,GDB ChEMBL
378117,CCCC1[NH2+]CC2C(C)C1C1CCC2C1CC,0,GDB ChEMBL
210290,CC[NH+](C)CC1CC1(C=O)C=O,0,GDB ChEMBL
38906,O=C1NCC2(O)C1C(=O)C(O)C(O)C2O,0,GDB ChEMBL
328816,CC[NH2+]C(CO)C1OC(=N)[N-]S1(=O)=O,0,GDB ChEMBL
151723,CC(C)C1CCCCC(=O)C1C,1,GDB ChEMBL
92286,Fc1cccc2c1C=CCC(C1CCC1)C2,1,GDB ChEMBL
352201,CC[NH2+]C1CC(C)=CC2(C1)C(C)C2CO,0,GDB ChEMBL
115990,C#CC(=O)C(CCC)C1C[NH2+]C(CCCC)C1,0,GDB ChEMBL
203151,COC1C2NC(=O)CC(=O)NC(=O)NC21,0,GDB ChEMBL
277603,CCC(CC(O)C[NH3+])[NH2+]C1CCC2[NH2+]CCC21,0,GDB ChEMBL
136064,CCN1CC2C(C(C)C#N)CC1C2([NH3+])CO,0,GDB ChEMBL
244444,C#Cc1c(O)ccc2c1CC(CC)COC2,1,GDB ChEMBL
111596,CC1[N-]C(=O)C(C#N)C2OC2C1[NH3+],0,GDB ChEMBL
367791,CCC(C)CC12CC3CCCC([NH2+]3)C1C2,0,GDB ChEMBL
348850,CC(CC(=O)[O-])C1(C#N)C[NH2+]C1,0,GDB ChEMBL
144643,Brc1cc(CC2=CC=CCC=CC2)ccn1,0,GDB ChEMBL
191511,N#CCC(N)C[NH2+]CCCNCS(N)(=O)=O,0,GDB ChEMBL
114396,CNC(CS(=O)(=O)[O-])=[NH+]CC(N)CC#N,0,GDB ChEMBL
388282,CCC1CC(OC)C(OCCO)C1,1,GDB ChEMBL
394900,COc1c2c(nn1C)CCN2C,1,GDB ChEMBL
142946,CCN(C)c1nn(C)c2nc(CO)n(CC)c12,1,GDB ChEMBL
300962,CCN1CC2(C(=O)[O-])C=CC1C(=N)O2,0,GDB ChEMBL
70782,Nc1ccc(F)nc1OCC#CC[NH3+],0,GDB ChEMBL
338248,COC(CCC#N)C1CN1,1,GDB ChEMBL
340479,CCC1=CC(C(=O)[O-])OC1,0,GDB ChEMBL
267323,CC1C(CO)OCCC(C=O)C1O,0,GDB ChEMBL
118137,O=C1NC2CC3C(NS(=O)(=O)C13)C2O,0,GDB ChEMBL
109181,NC12CC(CNS(=O)(=O)C1)C(=O)NC2=O,0,GDB ChEMBL
73823,CCCc1ccc(C2(C)COC2)cc1C,1,GDB ChEMBL
137376,CCCCCC1([NH3+])CCC(CO)C1C,1,GDB ChEMBL
58968,CNC(=[NH2+])CC1(C)OCC(C(N)=O)NC1=O,0,GDB ChEMBL
277650,CNC1C(O)C1[NH2+]CC(C)CC[NH3+],0,GDB ChEMBL
81776,C=C1CCCC(C(C)(C)C)CC1C,1,GDB ChEMBL
81148,CCCCCCC(C)CCC1CC1,1,GDB ChEMBL
375673,C#CC(C)OCCC,1,GDB ChEMBL
234448,C#CC1(C(C)O)COC(CCCC)CC1CC,0,GDB ChEMBL
161388,CCc1cc2c3c(c1Br)CCC3CCC2,1,GDB ChEMBL
86709,CC#CC1(C)CC[NH+](C)CC=CC([NH3+])C1O,0,GDB ChEMBL
325748,C#CC(C)C(C)(C)Cc1cc(C)cc(Cl)c1,0,GDB ChEMBL
116014,Cc1cc2ncnc(O)n2n1,1,GDB ChEMBL
165266,CCC(=O)C(C)NS(=O)(=O)CCO,1,GDB ChEMBL
319150,CCCCC1C(=O)CC(CC)CCC1(C)C,1,GDB ChEMBL
181521,CC1=CC=C(C)C2CCC1CC2,1,GDB ChEMBL
228817,CCC1Cn2cc(N)[nH+]c2N1,0,GDB ChEMBL
332440,CCC12C=CC(C1)C1C(c3ccccc3)C12,0,GDB ChEMBL
286121,CC1=CC(c2cccc(Br)c2)CC1C,1,GDB ChEMBL
291517,CC1(O)CC(CO)C([NH3+])C2OC21,1,GDB ChEMBL
263280,C[NH2+]CCN(C)C1C(C)C(C)CC1(C)C,0,GDB ChEMBL
34155,CC[NH2+]C(C)C12CC(C1)C2,0,GDB ChEMBL
215685,CC(C[NH3+])CCCC1([NH3+])COC1,0,GDB ChEMBL
371686,CC1OC2C(=O)CC(CC2(C)O)C1C,0,GDB ChEMBL
347965,N#Cc1ncc(CC(N)=O)c(C[NH3+])n1,0,GDB ChEMBL
77839,O=C(CO)C1[NH2+]CC2C=CCC1CC2,0,GDB ChEMBL
318057,CCCC1C(C)CC(CC)CNC1C(F)(F)F,0,GDB ChEMBL
88119,CC#CC1C[NH+]2CC1(CCCC)C2,0,GDB ChEMBL
41068,NC(=O)C1NCC([NH3+])C2CC2([NH3+])C1O,0,GDB ChEMBL
116653,COC1CCOC(=O)C2(C)C[NH2+]C(C)C2OC1,0,GDB ChEMBL
231093,COCC1([NH3+])C2CC1(O)C(=O)N2CC(N)=O,0,GDB ChEMBL
79493,CC1C[NH2+]CC(C)C(C[NH3+])(CO)CCCOC1,0,GDB ChEMBL
374204,Cc1cc(F)c2c(c1C)CC1CCCCC21C,0,GDB ChEMBL
70877,NS(=O)(=O)CCC(O)(CO)CCCN1CC1,0,GDB ChEMBL
383689,CC1C(O)C2C1CC[NH+]2C,0,GDB ChEMBL
149935,COCC(=O)C1CNC(=O)N1,1,GDB ChEMBL
62100,NC(=[NH2+])C(N)C1(O)COC1CC(=O)[O-],0,GDB ChEMBL
319309,C=CCNC1(C(F)(F)F)CC[NH2+]C1,0,GDB ChEMBL
353564,CC[NH+](C)CC#CC(C)(O)C1CC1C,0,GDB ChEMBL
288526,O=CNC(C(O)CO)C1C(O)C(O)CN1C=O,0,GDB ChEMBL
334014,Cn1nc(N)c2c(C(N)=O)c([O-])c(=[NH2+])ccc21,1,GDB ChEMBL
146909,CCN1CC(C)OC1=[NH2+],0,GDB ChEMBL
150156,CCC1CCC(CC)C1[NH2+]C,0,GDB ChEMBL
94853,N#CCCCCNC(=O)S(N)(=O)=O,0,GDB ChEMBL
205956,C#CCC(C)[NH+](C)C1CC2(CCCC2)C1,0,GDB ChEMBL
198665,CC1CCC2(C)CC([NH3+])C[NH2+]C1(C)COC2=O,0,GDB ChEMBL
146957,CC1C(=O)C(CO)CCC1(C)C(C#N)NC=O,0,GDB ChEMBL
227948,CN1CCN(C2CCCCOC(=O)C2)CC1=[NH2+],0,GDB ChEMBL
132194,CNC(=O)C(O)(C[NH3+])C1(C)CC1C(N)=O,0,GDB ChEMBL
375691,CCOC(C)C1C2C[NH2+]CC21,0,GDB ChEMBL
283254,C#CC[NH2+]CC1CC(C[NH2+]C)C([NH3+])C1(C)CO,0,GDB ChEMBL
30373,CCc1ccn2c1C(=O)CC(C=O)C2,1,GDB ChEMBL
190300,C[NH2+]CC1CCC(C[NH3+])C12CO2,0,GDB ChEMBL
132684,COC(=O)c1c(C)coc1C,1,GDB ChEMBL
38619,C#CC1CC(C)C1C(C)[NH2+]CCO,0,GDB ChEMBL
259317,CC(CC1CC1CC#N)[NH+](C)C,0,GDB ChEMBL
92876,O=C(CO)CC1C(=O)OCC1O,1,GDB ChEMBL
35716,C=CC1C2CC=CC1C(C)CCC2,0,GDB ChEMBL
339106,NC(C[NH3+])(CCC[NH3+])C1NC(=O)COCC1O,0,GDB ChEMBL
196466,CC1[NH2+]CC(C)(C#N)C1(O)C(=O)[O-],0,GDB ChEMBL
358127,N#CCNC(=O)N1CC1C(N)=[NH2+],0,GDB ChEMBL
113554,COC1C2C(C#N)NC(C(N)=O)C12,0,GDB ChEMBL
28284,CC1=CCCC=C(C2CCCC2)CC1,1,GDB ChEMBL
320414,Nc1c(CO)ncc(C=O)c1CC(=O)[O-],0,GDB ChEMBL
301383,CC1CCC(C)(CC(C)CC#CC[NH3+])CC1,0,GDB ChEMBL
201469,N#CCC1CCCC(=[NH2+])NC1,0,GDB ChEMBL
206943,CCCN(CCC(O)CC=O)C(C)C=O,1,GDB ChEMBL
305819,CC1OC2(C)C[NH+]3CCC2C13,0,GDB ChEMBL
257435,C[NH2+]CCC(CCO)N(C=O)C(=O)C(O)C=O,0,GDB ChEMBL
377025,COC(=O)CC(=N)NC(=O)C1CC1O,1,GDB ChEMBL
83011,OC1CCC=CCOCCC1,1,GDB ChEMBL
287309,CCC1C=C(C)CCCC(CC)C(C)C1,0,GDB ChEMBL
122000,CCC(C[NH3+])OCC(C)C,0,GDB ChEMBL
124302,CCCC(C1=CCCCC1C)C(C)(C)C,0,GDB ChEMBL
59601,NC(=[NH2+])C1NCC(O)CC1S(=O)(=O)CCO,0,GDB ChEMBL
34428,CC(=O)OC(CCO)C(O)S(N)(=O)=O,0,GDB ChEMBL
258232,Cc1nc(N)nc(C2OCC(O)C2C)n1,0,GDB ChEMBL
292697,CC1(CS(N)(=O)=O)CC(=O)NC(N)=N1,0,GDB ChEMBL
230410,C#Cc1cccc2c1C[NH+]1CC(C)(C)OCC21,0,GDB ChEMBL
191736,C#CC(C)(O)CCC1CCCC2CC2C1,0,GDB ChEMBL
290115,CC1=CCC2(COC(C)C2)C1CC(C)C,0,GDB ChEMBL
129820,O=C1C=CC2(CC2)O1,1,GDB ChEMBL
20489,COCC1C([NH3+])CC(O)CC(O)C([NH3+])C1CO,0,GDB ChEMBL
151182,CCC1[NH2+]CCc2c(C3CC3)ccc(Br)c21,0,GDB ChEMBL
175885,NC(=O)C(C=O)CNC(=[NH2+])NC1CC1,0,GDB ChEMBL
143837,C#CCCCC1CCCC2OCCC12,1,GDB ChEMBL
355317,CNC(=[NH2+])NC(C)(C)CCC#N,0,GDB ChEMBL
192587,CC[NH2+]CC12C=CCCC(C1)[NH+](C)C2,0,GDB ChEMBL
99431,COC(C#N)c1ccc(O)nc1,1,GDB ChEMBL
350905,COC1C([NH3+])CCC([NH3+])C2CC21,0,GDB ChEMBL
318573,CNC(C)=[NH+]C(CCCC[NH3+])C1([NH3+])CCCC1,0,GDB ChEMBL
182286,C#CC1C(CC)CCC1OCCCC(C)(C)C,1,GDB ChEMBL
26326,CCCCC1C2C[NH2+]C(C)(CC)C1CCC2C,0,GDB ChEMBL
211102,COC(c1c(O)cc(Br)nc1N)C(O)C(N)=O,0,GDB ChEMBL
136567,CC1[NH2+]CC(O)CCNC(=O)N(C)C1CC#N,0,GDB ChEMBL
152511,CC1(C(N)=O)OC(=O)C(O)C1C([NH3+])C(O)CO,0,GDB ChEMBL
382606,CCCCC1C(O)CC2CCC(C)(CCC)C21,0,GDB ChEMBL
45705,CCC(=O)C1(CC(C)[NH2+]C)C=CCO1,0,GDB ChEMBL
27747,CC1CCC2CC3C(O)CCC3C2[NH2+]1,0,GDB ChEMBL
366059,CC1[NH2+]CC2C([NH3+])C12N1CCC(O)C1,0,GDB ChEMBL
82125,CCC1(O)C2C3CC(C[NH+]3C)C21CO,0,GDB ChEMBL
370370,CC(O)c1c(C(N)=O)c(=O)c(N)nn1C,0,GDB ChEMBL
375550,CC1CCC2C(C1)C(C)CC(=O)C2C(C)C,0,GDB ChEMBL
227593,CCC1(OC)CCS(=O)(=O)NCC1(C)[NH3+],0,GDB ChEMBL
15548,CC1=CC(C)([NH2+]C(C)C2CC2)C=C(C)CC1,0,GDB ChEMBL
122895,COC1CC([NH3+])CCC(O)CCc2[nH]ncc21,0,GDB ChEMBL
351417,N#CCCC1(CC(=O)[O-])COC(C#N)C(=O)O1,0,GDB ChEMBL
310798,CC(CO)CC(C)(C[NH+](C)C)C1=CC[NH2+]C1,0,GDB ChEMBL
285105,CC(O)C(C)[NH2+]C12CCCC1C2C[NH3+],0,GDB ChEMBL
225348,CN=C(N)C1(O)C[NH+](C)C(CO)C1OC,0,GDB ChEMBL
290146,CCC1CC2c3cc(Cl)c(Cl)cc3CC12C,0,GDB ChEMBL
6062,CC(C)(C1CN1)C([NH3+])C(=O)[O-],1,GDB ChEMBL
48505,CCCC(O)CCC(CC(C)C)C(C)CC,1,GDB ChEMBL
48036,CCOC(=O)CNC(NC(N)=[NH2+])=[NH+]C,0,GDB ChEMBL
379870,Cc1ccc(I)cc1CCCCCCO,1,GDB ChEMBL
5866,CCN1CC1C([NH3+])CCOS(N)(=O)=O,0,GDB ChEMBL
151067,CC([NH3+])C(O)C(N)C1(C(N)=O)CCOC(=N)N1,0,GDB ChEMBL
189893,NC(=O)C(NC1COC1=O)C(N)C[NH3+],0,GDB ChEMBL
363167,O=C([O-])C1C2OCCC(O)C21O,0,GDB ChEMBL
94883,CNc1c(C#N)cc(=O)c(N)nc1O,0,GDB ChEMBL
59632,CC1(O)C(C#N)CN2C(C(N)=O)C21,0,GDB ChEMBL
289956,CCC1(C=O)CCCCC1C,1,GDB ChEMBL
292525,CCN1C(=O)C2CC(C)(C(N)C#N)C(O2)C1C,0,GDB ChEMBL
99796,CC1OCC(NS(C)(=O)=O)C2OC2C1[NH3+],0,GDB ChEMBL
153253,CC(C)C(=[NH2+])N1CC(C(C)C)CC1CCC[NH3+],0,GDB ChEMBL
210751,C[NH+]1CC2CCCCCC2C1,0,GDB ChEMBL
244337,CC1CCCC2C3CCc4ccccc4C123,0,GDB ChEMBL
217373,CC[NH+](C)C1C=C(CCC2CC2)CCC1C,0,GDB ChEMBL
143199,CC1COC2C(=O)NC1C(O)C2=O,0,GDB ChEMBL
295906,CC1=CC2(CO2)C(O)C1,1,GDB ChEMBL
89374,CCCC1C(=O)C(O)C(O)C1O,1,GDB ChEMBL
280647,[NH3+]C1(C23CC(COC2=O)NC3=O)CC1,0,GDB ChEMBL
341885,CC(=O)OC1(C2CCO2)CCC1,1,GDB ChEMBL
203751,N#CCNC(=O)Cc1noc(N)c1[O-],0,GDB ChEMBL
40429,CCCCC[NH2+]C12CCC3C(C)C(O)C1C32,0,GDB ChEMBL
173738,COC(CC(N)=O)(CS(C)(=O)=O)C(=O)[O-],0,GDB ChEMBL
194266,C#CCCC(C)(C)[NH2+]C(C)(C)C,0,GDB ChEMBL
39722,CC12CCCCC1C1CC1C2[NH3+],0,GDB ChEMBL
267942,COC(N)=[NH+]CC1C2C(C)CC(C)(O)C12,0,GDB ChEMBL
37655,C#CC(C[NH3+])N1CCC(C)(C#N)CC1C(=O)[O-],0,GDB ChEMBL
175743,CC1COCC(O)C(S(N)(=O)=O)C(=O)N1,0,GDB ChEMBL
316424,CC(=N[O-])C1(C(=O)NCC(O)C(=O)[O-])CO1,0,GDB ChEMBL
81479,CCC(O)C(CC)CC1=CC2CN2C1,0,GDB ChEMBL
104705,CC1CC2C(C[NH3+])C(=O)NCC3C1C23C#N,0,GDB ChEMBL
161069,CC1C2C=CC(C(=O)N2)C1C(=O)[O-],0,GDB ChEMBL
310314,CCOC1CC(COC)[NH2+]C1(CO)CO,0,GDB ChEMBL
338533,CCC(C)C1C2CCC1(C)CC(C)C=C2C,0,GDB ChEMBL
104481,CS(=O)(=O)CC(O)(C(N)=O)C(N)=O,0,GDB ChEMBL
379832,CS(=O)(=O)C(CNC(=O)CCO)=N[O-],0,GDB ChEMBL
234415,CC1CC(CO)[NH+]=C(N)C(N)C1O,0,GDB ChEMBL
326481,CC(C#N)C1(NC(N)=O)CC1,1,GDB ChEMBL
367663,CCN1C(=O)C2CCC1(C)CC2,1,GDB ChEMBL
305604,C#CCC1C=CC(O)C([NH2+]C)C1,0,GDB ChEMBL
394344,CC[NH2+]C1(Cc2ccoc2C)CCCCC1,0,GDB ChEMBL
392252,O=C1CNC(=O)C(O)CCO1,1,GDB ChEMBL
362641,CCC1CCCC2CC(CO1)C1CC2CO1,0,GDB ChEMBL
395180,CC1C2CC(CC(=O)O2)CC(C)(O)C1C,0,GDB ChEMBL
185267,N#CC(O)CC1CC(=O)CN1,1,GDB ChEMBL
300461,O=C1CC[NH+]2CC2CS(=O)(=O)[N-]1,0,GDB ChEMBL
298083,COC(=O)NC1CC(=NO)C1,1,GDB ChEMBL
204419,O=C1NC2CC3COC(C3O)C2N1,0,GDB ChEMBL
136042,C[NH2+]C1C(CO)=CCCC1O,0,GDB ChEMBL
383939,CN(C)C(=NCC(N)=O)S(=O)(=O)NCC[NH3+],0,GDB ChEMBL
169074,CCCC(NCC=O)c1cnsc1,1,GDB ChEMBL
235514,CCOC(CC)(C[NH3+])c1c(Cl)ccnc1Cl,0,GDB ChEMBL
114364,CCCC12CCC[NH+](C(CC)C1)C2(C)C,0,GDB ChEMBL
292505,NC(=[NH2+])Nc1csc(=O)n1CC(=O)[O-],0,GDB ChEMBL
34241,C#CCCC(C)(C)Cc1cc(N(C)C)n(C)c1,1,GDB ChEMBL
334136,CC1(C)CC2C(CC[NH3+])C2[NH2+]1,0,GDB ChEMBL
362612,CC#CC1C2CC=CCC[NH+]1CC2C1CC1,0,GDB ChEMBL
132252,COC(=O)C(C)C1CCCCC1([NH3+])C[NH+](C)C,0,GDB ChEMBL
150154,Cc1cc(OCC#N)c(N)cc1[N+](=O)[O-],1,GDB ChEMBL
333109,C#CCC1C(C(N)=O)NC(=[NH+]C)N1C,0,GDB ChEMBL
352603,N#CC1COC1C(=O)NCC=O,1,GDB ChEMBL
254243,[NH3+]C1CC([NH3+])C2C(CO)C(=O)NC12,0,GDB ChEMBL
150102,C[NH2+]CC1CC(C)C2(CC2)C1,0,GDB ChEMBL
334471,C[NH+]1CC2(CO)C(C([NH3+])CC(N)=O)=CCC12,0,GDB ChEMBL
57289,C#CC[NH2+]C(C)(CC)CCCc1ccn(C)c1,0,GDB ChEMBL
256195,CCCC1CCCC([NH+](C)C2(C)CC2)C1,0,GDB ChEMBL
97188,CC1CC2CCC3CCCC1C2[NH2+]3,0,GDB ChEMBL
41032,C#CC[NH2+]Cc1c(CCCO)c(=O)ccn1C,0,GDB ChEMBL
348831,C#CC1NC(=O)NC(=O)CCC(C)(C)[NH2+]C1C,0,GDB ChEMBL
227769,COC(=O)N1CC(N)(C#N)CS1(=O)=O,1,GDB ChEMBL
388447,NC(=O)C12OC1S(=O)(=O)[N-]C2C(=O)[O-],0,GDB ChEMBL
50309,COC(=O)C(CCO)CC[NH+]=C(N)C(C)C[NH3+],0,GDB ChEMBL
358168,CCNc1c(C(=[NH2+])N(C)CCN)ccnc1I,0,GDB ChEMBL
190043,[NH3+]CCC1C(O)COC2CC21,0,GDB ChEMBL
296636,COC(=O)CN(C(=[NH2+])CN)C1CC1,0,GDB ChEMBL
226219,CCC[NH+]1C(C(C)C)CC(=O)C12CC2,0,GDB ChEMBL
218599,CC(O)CC12CC(C#N)NC(=[NH2+])N1C2CO,0,GDB ChEMBL
177193,CS(=O)(=O)N1CC1C(=O)[N-]C(C#N)C=O,0,GDB ChEMBL
202481,CC1=CC(O)CCC2CC2C1,1,GDB ChEMBL
129420,CC1OC(CO)CCS(=O)(=O)NCC1[NH3+],0,GDB ChEMBL
143197,COCCC1CC(C)CC2C=CC(C2)[NH2+]1,0,GDB ChEMBL
138377,CC#CC(c1c(F)ccc(C)c1F)C1CC1,1,GDB ChEMBL
266243,C#CC1=CCCC(C)=CCCCC=C1,1,GDB ChEMBL
345507,C=C1CCCCC(C)C=CCOC1,1,GDB ChEMBL
173977,CC1(C)NC(CC2C[NH2+]2)C(=O)NC1=O,0,GDB ChEMBL
124159,CC(=O)c1noc2c(S(N)(=O)=O)c[nH]c12,1,GDB ChEMBL
124882,CC1(C)CCCC(C[NH3+])OC2C(O)C21,0,GDB ChEMBL
352860,[NH3+]CC1(C(=O)[O-])CCC2C(Cc3ccnn32)C1,0,GDB ChEMBL
286114,C#CC1CC(CC(C)C)CCC1(C)CO,0,GDB ChEMBL
362020,C[NH+](C)C1CC2(C)NC(C=C2C(N)=O)C1O,0,GDB ChEMBL
333059,CC1CC2(C(N)=O)CC1C1[NH+](C)CC12O,0,GDB ChEMBL
355022,CC1(O)CCCC2C3C(=O)C(OC3C(N)=O)C21,0,GDB ChEMBL
398714,C#CCCc1cc(=O)c(C)cn1CCCCC,1,GDB ChEMBL
284664,CCCn1nnc(N)c1C=O,1,GDB ChEMBL
339236,CCC(O)C1C(C)C(CC#N)COC1(C)CC,0,GDB ChEMBL
115020,CCC1COC2CC(C(C)(C)O)CC12,0,GDB ChEMBL
209888,CCC(C)CC1[NH2+]C(C)C(C)C(C)C1C,0,GDB ChEMBL
335451,C[NH2+]C1CN2CC1C1C(C(=O)[O-])C12,0,GDB ChEMBL
351346,C[NH2+]C1C(=O)C2CCN2C1C,0,GDB ChEMBL
358505,CC[NH2+]CC1C(O)CC(C)N1CC(C)[NH3+],0,GDB ChEMBL
378598,CC(=[NH2+])NCCNCC(N)C#N,0,GDB ChEMBL
310989,COC1C(=O)C=C(C(=O)[O-])C1=O,0,GDB ChEMBL
203828,NC(=[NH2+])C(CO)C(CCO)NC(=O)C[NH3+],0,GDB ChEMBL
286109,CC1[NH2+]C2C(O)C1OCC2(N)C(=O)[O-],0,GDB ChEMBL
172733,C#CC#CCC(C[NH3+])OCC,0,GDB ChEMBL
191351,CC1[NH2+]C2C(C)OC1C2CO,0,GDB ChEMBL
345438,CC#CCC[NH+](C)CCC(C#N)C(N)=O,0,GDB ChEMBL
31308,CCCC1C([NH2+]C)CN2CCC(=O)C(O)CC12,0,GDB ChEMBL
17504,CC#CC1=CCOCCCC1,1,GDB ChEMBL
348724,CC1CN(C)C(=[NH2+])C1O,0,GDB ChEMBL
342389,CC1(C)CC=C(C#CCn2cccc2)C1,1,GDB ChEMBL
362862,COC1C=CCCC#CCOC(C)C1,1,GDB ChEMBL
375689,COC1(C(O)CO)C(=N)NC(C#N)CC1C[NH3+],0,GDB ChEMBL
70112,CC(C)CC(O)(C#N)C1OCC(C)(C)NC1=O,0,GDB ChEMBL
268164,COC1(CC[NH3+])CCCCCCC(C)C1(C)[NH3+],0,GDB ChEMBL
224034,C=C(C)C1CCNC(=O)C(C)CC1,1,GDB ChEMBL
322823,CC(C([NH3+])C(N)=O)C(CCO)C1(C)C[NH2+]1,0,GDB ChEMBL
354321,CC([NH3+])CN(C=O)CC(N)=O,0,GDB ChEMBL
363574,COCCC1C2CC(O)CC2C(CO)C1(C)C,0,GDB ChEMBL
50277,CC1C2[NH2+]CC=C3CCC(=O)NCC312,0,GDB ChEMBL
311638,N#CCN1C=NCC[NH2+]CCC1,0,GDB ChEMBL
45999,CNC(=O)C1OCCCC2(C)COCC12CO,0,GDB ChEMBL
305517,CCCC(C)C(C)(C)C12CCCC1CCC2,0,GDB ChEMBL
182482,CCC#CCCCC1(CC)CC1,1,GDB ChEMBL
283420,CCCC(C)[NH+]=C(NC)NCC#CC#N,0,GDB ChEMBL
203138,N#CC1(N)COC2C(=O)OCC(=O)NC2C1,0,GDB ChEMBL
362385,CNC1=CC(=O)CC(C)(O)C2CC1NC2=O,0,GDB ChEMBL
394271,CC1[NH2+]CCC(NS(C)(=O)=O)C1N,0,GDB ChEMBL
136515,C[NH2+]CC1CNC(C)C([NH3+])C(OC)C1,0,GDB ChEMBL
26590,COC1(C)CC(=O)C(O)C1OC(N)=[NH2+],0,GDB ChEMBL
211162,COC(=O)C12CC1(C)CO2,0,GDB ChEMBL
299145,CC1[NH2+]C2CCCC(C2)C2(C)CC12,0,GDB ChEMBL
20113,C#CC(O)C(C)(C=O)CCC,1,GDB ChEMBL
84861,CC1[NH2+]CC(C2C3C=CC2CC3)C1O,0,GDB ChEMBL
214909,CC(O)CC=CCCC1CC1(C)C,1,GDB ChEMBL
17667,Cc1nc(N)nc2ncnn2c1=O,0,GDB ChEMBL
295915,CC(C)C1OCC2(C)OC(=O)NC(N)=NC12,0,GDB ChEMBL
83137,N#CC1(N)C(=O)[N-]C1C(=O)[O-],0,GDB ChEMBL
331744,c1cc2c3c(c1)CCCN3CCCC2,1,GDB ChEMBL
231141,C[NH2+]CCc1ncncc1C(C)(C)O,0,GDB ChEMBL
355805,Nc1c([N+](=O)[O-])cc(CC([NH3+])C(=O)[O-])nc1O,0,GDB ChEMBL
181132,[NH3+]C1CC(=O)NCC2C(O)C2(O)C1,0,GDB ChEMBL
98905,C#CCC(O)c1cnc(CC)cc1I,1,GDB ChEMBL
374226,CNC(=O)NC(C[NH3+])C(O)C[NH3+],0,GDB ChEMBL
68479,CC1OC(=O)C2C3CC(C[NH2+]3)C12,0,GDB ChEMBL
222885,CCC([NH3+])CC1(C)[NH+](C)CC2CC21C,0,GDB ChEMBL
353925,C#CC1(C=O)CC(Cc2ccccc2)[NH2+]1,0,GDB ChEMBL
188466,CC(CO)NC(=O)OCCNC(=[NH2+])NC=[NH2+],0,GDB ChEMBL
288117,CCC1(C[NH3+])C(C)N(CC#N)C(=O)N1C(C)=N,0,GDB ChEMBL
386533,C[NH2+]CCCC1(C)OCC1=CCO,0,GDB ChEMBL
136478,CCCCC#CC(C#N)C1CC1,1,GDB ChEMBL
124505,Nc1nc(C[NH3+])nc(O)c1Cl,0,GDB ChEMBL
195315,CC(=O)C1(CO)OC(C)CC1O,0,GDB ChEMBL
273406,NC(=O)Nc1cnc(C(N)CO)nc(=O)c1,0,GDB ChEMBL
119804,[NH3+]CC1C(O)CC(NC=O)C1O,0,GDB ChEMBL
370373,O=C1COCC2(C(=O)[O-])N=C(CO)OC2CN1,0,GDB ChEMBL
356855,CC1=CCc2cccc(F)c2CC2CC12,1,GDB ChEMBL
274383,CC1=CC(CCC[NH2+]C(C)CC[NH3+])[NH2+]C1,0,GDB ChEMBL
134759,CCCCC12CC(C)CC1C2C(C)C,1,GDB ChEMBL
387070,CCC1C(COC)NC=[NH+]CC([NH2+]C)C1C,0,GDB ChEMBL
46047,CCCC(C)C1CC(C#N)NCCO1,1,GDB ChEMBL
221157,C#CCC1(C)CC(CC[NH+](C)C)C2[NH2+]C21,0,GDB ChEMBL
196771,CCOc1[nH]nc2c1CC[NH2+]C(C)C2,0,GDB ChEMBL
120552,CNC(C#N)(CN)CNC(N)=O,0,GDB ChEMBL
8690,C#CCCc1cc(C)c(C(F)(F)F)cc1Br,1,GDB ChEMBL
36195,CCC(O)CCC1CC1c1scnc1NC,0,GDB ChEMBL
387275,CNC(CCCC#N)=[NH+]C(CN)C[NH2+]C,0,GDB ChEMBL
101506,C#CCCCc1cc(I)c(I)cc1CCC,1,GDB ChEMBL
341356,COCCC1(S(N)(=O)=O)C(O)C1O,0,GDB ChEMBL
79615,CCOC(CC)C1CC(C)(C)C[NH2+]C1C,0,GDB ChEMBL
41111,CCOCC(CC(C)(O)C(N)C#N)C([NH3+])CC,0,GDB ChEMBL
118697,CCC(CC1[NH2+]C1C)OC,0,GDB ChEMBL
281177,COCc1cc(Cl)c2c(n1)CC1CC2C1,0,GDB ChEMBL
112860,COCC1(C2CC2)CCCC1,1,GDB ChEMBL
116005,CC1C(C)C2C(C)C1CC[NH+]2C,0,GDB ChEMBL
93427,CCC[NH+](CC)C1C2CC3CCCC=C3C21,0,GDB ChEMBL
141766,CC([NH3+])CC([NH3+])C1CC2CC2C1,0,GDB ChEMBL
159864,CCNC1=Nc2nonc2CCC(=O)N1,0,GDB ChEMBL
353542,CCC1CC2CC3[NH2+]CC2C3C1,0,GDB ChEMBL
230393,Cc1c(Br)ccc(CO)c1NCC[NH3+],0,GDB ChEMBL
141816,[NH3+]C1Cc2nc(F)cc3c2N(CCO3)C1,0,GDB ChEMBL
33891,CC[NH+]1CC2OCC1(C)CC1CCC2C(=O)C1,0,GDB ChEMBL
378149,CCC(C)(C[NH3+])C(C)CCC(F)(F)F,0,GDB ChEMBL
372754,CC(N)=[NH+]C(COCC(=O)[O-])CC(N)=[NH2+],0,GDB ChEMBL
211169,CC(C)CCC(O)C#CC[NH3+],1,GDB ChEMBL
97140,CC1C=CC[NH+](C)CC(O)COC(C)O1,0,GDB ChEMBL
107010,CCC(C)CC1(C)C(C)N1S(=O)(=O)CC[NH3+],0,GDB ChEMBL
358210,CCCC1CC(C(CC)CC)CC1C(C)CC,0,GDB ChEMBL
340558,CCC1CCC2C3CC4CC23C[NH+]14,0,GDB ChEMBL
354564,NC(=O)N1C(CCO)C1c1cnoc1,0,GDB ChEMBL
268178,CCCC1CC2CC1(C)C1CC=CC2C1C,0,GDB ChEMBL
291891,CCCN(C=O)C1CCOC(=O)CC1,1,GDB ChEMBL
217117,[NH3+]C(C(=O)[O-])C1OC(CC2C[NH+]=CN2)OC1=O,0,GDB ChEMBL
77386,CCCCN1CCOCC(=N)OC(C)C(=O)C1,1,GDB ChEMBL
374041,C[NH2+]C(CO)CN(C=O)CS(N)(=O)=O,0,GDB ChEMBL
259322,CCCCC(C)C(C)(C)CC,1,GDB ChEMBL
264001,CC1=CCC=CCC(=O)N(C(C)(C)C)C1,1,GDB ChEMBL
33207,CCC(O)C1C2CCC=CC(C)CC21,0,GDB ChEMBL
252570,CC(C)CCC(C)CC1C2CCC1C(C)C2C,0,GDB ChEMBL
227773,CCC([NH3+])CC1CCC([NH3+])C1,0,GDB ChEMBL
58484,CC1C[NH+](CCS(N)(=O)=O)C2CC12,0,GDB ChEMBL
242978,NC(=O)C(O)C1C([NH3+])C12CNS(=O)(=O)C2,0,GDB ChEMBL
196769,NC(=O)C([NH+]=C(N)C1(N)CC1)C(O)CO,0,GDB ChEMBL
295928,CCNC(C[NH3+])(CO)C(C)[NH3+],0,GDB ChEMBL
201164,CCCC1CC2([NH3+])C[NH2+]C(C(C)CC)CC1C2,0,GDB ChEMBL
292333,CC1OCC(=O)CNC(C)C2(CO)CCC1C2,0,GDB ChEMBL
9914,C[NH2+]C1(CC([NH3+])C(C)O)CCC1,0,GDB ChEMBL
48529,C=CC1CC=CCC=C(C)CC1C,0,GDB ChEMBL
114987,CNc1c(N)cc(I)c(C)c1CC[NH3+],0,GDB ChEMBL
7807,CCN=C1OC(CO)C2CC12,0,GDB ChEMBL
288954,CC(O)C1C(=O)NC(C(N)=[NH2+])(C(=O)[O-])C1N,0,GDB ChEMBL
85708,CC[NH+](C)CC(C=O)(CCO)C(=O)CCCO,0,GDB ChEMBL
330786,CC1(C([NH3+])C(=O)[O-])OC(N)=NC1C#N,0,GDB ChEMBL
190490,COCC1(C#N)C(C)(CC#N)C1(C)N(C)C,0,GDB ChEMBL
321989,Nc1cc(O)c2[nH]c(C3CC(O)C3)cc2c1,1,GDB ChEMBL
162532,COCCN=C(N)N(C=O)C(=O)C(C#N)CN,1,GDB ChEMBL
214765,CCOC(=O)NC=NCC=CC[NH3+],0,GDB ChEMBL
151100,CC([NH3+])C#Cc1cnn2c1C[NH2+]CC2,0,GDB ChEMBL
254955,CC[NH2+]C1C(C)CC2C(C=O)C21,0,GDB ChEMBL
18348,CC1C[NH2+]CC1(CC#N)C(N)=[NH2+],0,GDB ChEMBL
180797,CCCC1C(C)C1C1(C)CC2CCCC1C2,0,GDB ChEMBL
13818,COC(=O)CC(CO)S(C)(=O)=O,1,GDB ChEMBL
379370,CC[NH2+]C1C=CC2OC2C(C)C(C)(O)C1,0,GDB ChEMBL
203800,CC1C([NH3+])C(O)C(=O)NC(C[NH3+])C1O,0,GDB ChEMBL
217393,O=C([O-])c1c(O)ccncocc1O,0,GDB ChEMBL
20126,C#CCC(=O)CCC(C)(C)[NH+](C)CC,0,GDB ChEMBL
136055,CC(=[NH2+])NC1(C)CC1Nc1cccc(I)c1,0,GDB ChEMBL
207259,CC(C)(C)C1CCCC=C2CCCC21C,0,GDB ChEMBL
77375,COc1cc(CNS(C)(=O)=O)nc(=O)[nH]1,1,GDB ChEMBL
56628,CC1NC(=O)C2[NH2+]CC(O)(C[NH3+])C2C1O,0,GDB ChEMBL
210219,CC(=O)NC1(C[NH3+])COC(C)(C)OC1,0,GDB ChEMBL
204393,N#CC1C=CN(C(N)=[NH2+])CC1,0,GDB ChEMBL
391722,C#CC1Cc2cccc(C)c2C1C(C)C,0,GDB ChEMBL
324280,Cc1c(O)ccc(C(C)C#CC2CC2)c1Cl,1,GDB ChEMBL
79494,N#CCCNC(=O)C1C(C#N)[N-]S1(=O)=O,0,GDB ChEMBL
22844,CCC(CO)(CO)OC(=NC)C(C#N)CO,0,GDB ChEMBL
181718,C#CC(C=O)C(C)(C)CC1CC1,0,GDB ChEMBL
183488,[NH3+]CCOCCC1CC(O)CO1,0,GDB ChEMBL
211101,CC1CC2CC3OC3C2(C)C1C[NH+](C)C,0,GDB ChEMBL
324059,CC1C=CC(C)(C)C[NH+](C)C(C=O)C1,0,GDB ChEMBL
209724,CC(=O)C1(O)CCc2[nH]cc(c2C)CC[NH2+]C1,0,GDB ChEMBL
317181,CCCCN(C)C1=NCC(OC)C1(C)O,0,GDB ChEMBL
362827,C#CC(=O)NC1CC1C(CO)C(C)(C)[NH2+]C,0,GDB ChEMBL
307984,OCC(O)C1CCC2CC3CC3C[NH+]21,0,GDB ChEMBL
286139,COc1ncn2cc(C#N)c([N+](=O)[O-])c2n1,0,GDB ChEMBL
204835,CNC(=O)C(CC#N)C1CNCS(=O)(=O)N1,0,GDB ChEMBL
133210,C[NH2+]C(C(C)O)C1(O)C(O)C1NC(C)=O,0,GDB ChEMBL
174196,CCC1C=C(C(C)CO)C(OC)C(O)C1O,0,GDB ChEMBL
199471,C[NH2+]C1(C)CCOCC(C)(C)C1CCC(C)[NH3+],0,GDB ChEMBL
77723,CCCCC1=CC2(C[NH3+])CCCC(C1)C2,0,GDB ChEMBL
350929,C#Cc1cc(=O)cc(C)nc1C,1,GDB ChEMBL
334394,CCCCCC1CC1(C)C1=CCCC1,1,GDB ChEMBL
306357,CC1(CC#N)C(C(O)CCO)N1CC#N,0,GDB ChEMBL
173857,CC[NH2+]C1C(O)C(=O)NC(C[NH3+])C(N)C1NC,0,GDB ChEMBL
395125,CC(C)C1[NH2+]CC12CC(C[NH3+])C(=O)N2C,0,GDB ChEMBL
2348,C#CC1C(C)=CCCC1(C)CC[NH2+]CC,0,GDB ChEMBL
252894,CN=C(NC(N)=[NH2+])NC(=O)C(O)C#N,0,GDB ChEMBL
217409,O=C1OCC2C[NH2+]CC(CO1)N2,0,GDB ChEMBL
366531,CCC(CS(=O)(=O)[O-])C(=O)C[NH2+]C1CC1,0,GDB ChEMBL
280325,C#CC(Oc1c(O)cc(O)nc1NC)C(C)[NH3+],0,GDB ChEMBL
702,CCc1cc2c(cc1Cl)CC=CC=C2,1,GDB ChEMBL
151750,CC(C([NH3+])C(N)=O)C1NC(=O)OC2CC21O,0,GDB ChEMBL
207960,CCC12CC(CCOC(C)C1)CC[NH+](C)C2,0,GDB ChEMBL
137396,C=C1CC(C)(CC)OCC1CC#N,1,GDB ChEMBL
255083,C[NH+]=C(N)NCCC#CC1(C)CCCO1,0,GDB ChEMBL
81791,CC1C(O)CN2C(C)C(C#N)C(=O)NC(=N)C12,0,GDB ChEMBL
71995,CCCOC(C)C1CC=C2C(CC)[NH2+]CC21,0,GDB ChEMBL
334404,C#CCC1(C)CCCC(C)C1CC1CC1,0,GDB ChEMBL
284840,C[NH2+]CCN1C2C(C(N)=O)NS(=O)(=O)C21,0,GDB ChEMBL
258247,CC(C)OC1CCCC(C)(C(C)C)C(C)C1C,0,GDB ChEMBL
382472,C[NH2+]C1C(CO)C1OCC([NH3+])C(N)=O,0,GDB ChEMBL
58469,CC(O)C1C(C)[NH+]2CC13CCC2C3,0,GDB ChEMBL
79609,OCCOc1c(O)nc(O)nc1CO,1,GDB ChEMBL
43540,CC[NH+]1CC2C3C(O)C1CCN23,0,GDB ChEMBL
166468,COCC([NH3+])C1CNC(=O)CC(C[NH3+])CC1[NH3+],0,GDB ChEMBL
333073,CNC1CS(=O)(=O)C(CC(C)O)C1[NH+]=C(N)N,0,GDB ChEMBL
245876,COCC([NH3+])C1OCC([NH3+])CO1,0,GDB ChEMBL
264017,CCn1c(F)c(OC)c(=O)c2sccc21,1,GDB ChEMBL
111925,CC([NH3+])CC1COC(=O)CC(C#N)CC1(C)C,0,GDB ChEMBL
164653,C[NH2+]C1CC(S(N)(=O)=O)OC1C(N)=O,0,GDB ChEMBL
354580,Cc1ccccc1C1C=C2C=CCC3C2C13,0,GDB ChEMBL
76983,CCC1CC(C=O)=CC(C)(C)C(=O)N1,1,GDB ChEMBL
76444,NC1=NC(C(=O)[O-])C(=O)N1CCC=O,0,GDB ChEMBL
213999,CC[NH+]1C2C=CC(C)CC3CC3C(C2)C1C,0,GDB ChEMBL
141842,Clc1cccc(C23CC=C4C=CC2C43)c1,1,GDB ChEMBL
184279,CCC#CC(C)Cc1cc(I)ccc1C,1,GDB ChEMBL
149439,CN1CC2(CCC2)c2ccc(Cl)cc21,1,GDB ChEMBL
341331,[NH3+]CC1CC=CC=CCC1[NH3+],0,GDB ChEMBL
376025,CC(CC1CCC(C=O)C(=N)O1)NS(C)(=O)=O,0,GDB ChEMBL
243761,Cc1cc(Cl)c(C)nc1Cc1conc1C,1,GDB ChEMBL
23464,C[NH2+]C1C2CC(C2O)C1C(N)=O,0,GDB ChEMBL
384808,CCCCc1cc(NC(=O)C#N)cn1CCO,1,GDB ChEMBL
147858,CCC1CC(O)C(CS(N)(=O)=O)C1[NH+]=CN,0,GDB ChEMBL
263251,NC(=O)C1C(=O)NC(=O)NCC1O,1,GDB ChEMBL
51855,C=CCC[NH+]1C2CNCC1C1CC12,0,GDB ChEMBL
331187,COC(CO)CN1C(C(N)=O)C1S(=O)(=O)[O-],0,GDB ChEMBL
124509,CC1=CC2CNC(=O)OC(C)CC2C1,0,GDB ChEMBL
124286,CCCCC(C)C1C2CC3CC=C(C)C3C21,0,GDB ChEMBL
361759,CC1(C(N)=O)NCCCC(CS(N)(=O)=O)C1=O,0,GDB ChEMBL
379418,N#CCN1C(=O)[N-]CC(C[NH3+])[N-]C1=O,0,GDB ChEMBL
383299,N=C1C([NH3+])C(C(=O)[O-])C(CO)C2CNC(=O)N12,0,GDB ChEMBL
274880,C[NH2+]C1CC(CO)=CC1C(CO)C(C)(C)C,0,GDB ChEMBL
396713,CC1=CCCC=C(CC[NH3+])CC=CC1,0,GDB ChEMBL
313354,O=C1NC2C(C(=O)[O-])NC2C(O)C1O,0,GDB ChEMBL
288127,C=C1CC(CC(C)(C[NH2+]C)OC)C1,0,GDB ChEMBL
148803,CCCN(C)S(=O)(=O)CC(=O)NC(N)=O,1,GDB ChEMBL
15546,CCN(CCOC)C(=O)CNC=O,1,GDB ChEMBL
290000,C[NH+]1CC2C3CCC(=O)C1C32C(N)=O,0,GDB ChEMBL
165656,CCOC(=O)NCCC(N)=[NH+]CC(C)=NO,0,GDB ChEMBL
253633,CCC1C[NH2+]CC2C(C)C2C(O)C1,0,GDB ChEMBL
290268,NC(CS(N)(=O)=O)C1OC2CC[NH2+]C1C2O,0,GDB ChEMBL
77812,CC(CO)C1(CC(N)=O)CC(C[NH3+])O1,0,GDB ChEMBL
288437,C=C1CC(C[NH3+])CC=CC1C(C)O,0,GDB ChEMBL
308161,CC(=O)c1cnnn1CC(N)=O,1,GDB ChEMBL
28205,CC(CC([NH3+])C(N)=O)OC1OCCC([NH3+])C1N,0,GDB ChEMBL
260540,COC12C[NH2+]C(C(C(=O)[O-])C1)C1OC12,1,GDB ChEMBL
204558,COC(=O)CCOS(N)(=O)=O,1,GDB ChEMBL
5312,CCCC([NH2+]CCO)c1ccc(C=O)c(O)n1,0,GDB ChEMBL
1960,CC#CC1CNC(=O)C12CC2,0,GDB ChEMBL
379211,CNc1nc(C)nc(=N)cc1C[NH3+],0,GDB ChEMBL
162944,CCC([NH3+])C12OC(=O)NC1CNC2C(O)CO,0,GDB ChEMBL
208238,CCC1NC2C(NC)C2(C#N)C1C(N)=O,0,GDB ChEMBL
149369,CC(CCOC(N)=[NH2+])[NH2+]CCC(O)C(C)(C)C,0,GDB ChEMBL
112547,CN(C=[NH2+])CCC(C)(C)C,0,GDB ChEMBL
346819,CC[NH2+]C(CC)(CC#N)C1(CC)CCCCC1,0,GDB ChEMBL
22505,N#CC(N)C12OC1CNC2C(N)=O,0,GDB ChEMBL
80226,C#CC(C)N(C(C)=O)C(N)=O,1,GDB ChEMBL
201126,CC(=O)c1cc(Cl)c(OC(C)C)c2cn[nH]c12,1,GDB ChEMBL
289246,CCCC(=O)NCC(=O)c1cn[n-]c1[N+](=O)[O-],0,GDB ChEMBL
204585,COC1(c2c(C)cc(F)c(F)c2C)CCC1,1,GDB ChEMBL
358811,CCC1(C)C=C(C)CCC1CC(C)C,1,GDB ChEMBL
372187,CCC1CC([NH3+])(CO)C=C1C,0,GDB ChEMBL
217377,C[NH2+]CC(O)C([NH3+])CC1=NC(C)CS(=O)(=O)N1,0,GDB ChEMBL
216197,CC(C)C(C)C1[NH2+]CCCC1[NH3+],0,GDB ChEMBL
17285,N#CC1NC2(CS(N)(=O)=O)COC(=O)C12,0,GDB ChEMBL
181541,CCC(C(C)[NH+](C)C)C(C)(C)CC,0,GDB ChEMBL
98899,C#CC(O)(CC)CCC,1,GDB ChEMBL
355325,CCCC1CC=CC2CC(C)(C1)CC2C,0,GDB ChEMBL
47695,CC#CCCc1cc(C)ccc1Cl,1,GDB ChEMBL
156183,CCc1cc(=O)nc2c(NC)c(Br)ncc2c1,0,GDB ChEMBL
385492,CC1=CC23CCC[NH2+]CC2CC1O3,0,GDB ChEMBL
53672,C#CC[NH+](C)CCC1=C(CO)CC(=O)C1,0,GDB ChEMBL
45723,CCCOC(CCC)C(C)C#N,1,GDB ChEMBL
156151,CCC#CC1(CC(C)(O)COC)CC[NH2+]C1,0,GDB ChEMBL
378607,CC[NH2+]C1CC(CC([NH3+])C(C)C)(N(C)C)C1,0,GDB ChEMBL
13887,NC(=O)NC(=O)C(N)(C[NH3+])C(O)C[NH3+],0,GDB ChEMBL
236674,CC#CCC(O)C(CCOC(C)C)[NH2+]C,0,GDB ChEMBL
284365,CC1([NH3+])C(=O)NC(C(=O)[O-])C2COC(C[NH3+])C21,0,GDB ChEMBL
72430,COCC1[NH2+]C2CC2C2OC1CC2C,0,GDB ChEMBL
153747,C=CCC(CC1(CC)CN1)[NH+](C)C,0,GDB ChEMBL
136416,CCc1[nH+]c(N)c(N)c(=O)cc1C(C)[NH3+],0,GDB ChEMBL
379350,CN(C)C(=O)C1C=CC2NC2C1(C)C,0,GDB ChEMBL
53699,CCC12CCC(C1)[NH+](C)CC2C,0,GDB ChEMBL
222854,N#CC1CN(CCC=O)C(=O)CC1=O,1,GDB ChEMBL
225421,CC1CC2C=CCC(CCC2)C1O,0,GDB ChEMBL
249437,CC(C)CC(C)CC1=CCC2CC1(C)C[NH2+]2,0,GDB ChEMBL
318515,COc1nc(N(C=O)C=O)c(O)c(O)c1C[NH3+],0,GDB ChEMBL
706,CC[NH2+]CC(O)CC1C(C)N1C,0,GDB ChEMBL
68459,CC(C)(c1cncs1)C(C(N)=O)C1CC1,0,GDB ChEMBL
127050,[NH3+]C1CC2OC23CCCCC3C1O,0,GDB ChEMBL
323181,Cc1cc2c(cc1Cl)C(C(C)(C)[NH3+])NC(=O)C2,0,GDB ChEMBL
363533,NS(=O)(=O)CCC1CCOC1=O,1,GDB ChEMBL
280745,O=C([O-])C[NH2+]CC1OC2OCC(CC2O)C1=O,0,GDB ChEMBL
273820,O=C1CCCC2OCCNC12,1,GDB ChEMBL
9874,C[NH2+]C1CCC2(CC=CC(=O)C(=O)O2)C1,0,GDB ChEMBL
227914,CC1C(N2CC(O)C2)C(O)CC[NH2+]C1(C)C,0,GDB ChEMBL
70839,CC1[NH+](CCC=O)CC(O)CC12CC2,0,GDB ChEMBL
360875,N#CC(N)C(NC(N)=O)C(O)C(=O)[O-],0,GDB ChEMBL
115954,CC1=CCC(OCC(C#N)CO)C1,1,GDB ChEMBL
75468,CC[NH2+]CC(O)CC1([NH3+])CC(C)C(=O)NC1=N,0,GDB ChEMBL
353577,CC(NC(=[NH2+])NC1CC1N)C(=O)[O-],0,GDB ChEMBL
13831,CCC(CNC=O)NC1=[NH+]C(CC)CC(O)C1,0,GDB ChEMBL
157387,[NH3+]CCC1CC(NC(=O)COCCO)C1,0,GDB ChEMBL
123056,CN=C(NC(N)=[NH2+])OC1CC[NH2+]C1C,0,GDB ChEMBL
53833,CCCCC1CCC2CC=CCC2CC1C,0,GDB ChEMBL
389391,COC(C)CC1C2CCCC21,1,GDB ChEMBL
116021,C#CC(C)CC1(CCCCCC)CCC(C)C1,1,GDB ChEMBL
137071,NS(=O)(=O)CCn1c(=O)cc[cH-]c1=O,0,GDB ChEMBL
285578,[NH3+]C1CC2CC(=O)NC2C1O,0,GDB ChEMBL
334338,CCc1oncc1CO,1,GDB ChEMBL
201723,CC1CC=CC(C)C2(C)CC([NH3+])CCC12,0,GDB ChEMBL
68619,CCC1CCC(c2[nH]ccc2N)[NH+]2CCCC12,0,GDB ChEMBL
369297,CN1C(=O)C(N)CC([NH3+])C1C1(C)CO1,0,GDB ChEMBL
299715,CCCC1CC2CCC(C1)C2C,1,GDB ChEMBL
385977,CCC#CC(N)C(C#N)CC,1,GDB ChEMBL
227519,Cc1ccc(N)c(NC(=N)C#N)n1,1,GDB ChEMBL
156237,CC1=CCC[NH2+]CC(CO)[NH2+]C1,0,GDB ChEMBL
13773,CCN(CCN)C(=[NH2+])NC,0,GDB ChEMBL
294751,CCCC#CCC1CCCCC1,1,GDB ChEMBL
203605,CC1=CC2C(C(F)(F)F)CC(C)C2(C)C1,0,GDB ChEMBL
160813,N#CCC(O)CCCC(N)=O,1,GDB ChEMBL
337997,CCC(C)(C(C)C)C(C)CC(C)C(C)CO,0,GDB ChEMBL
287044,CC(CNC(N)=O)C(O)C(CC#N)=N[O-],0,GDB ChEMBL
147937,OCC1[NH+]2CCCCCOCC1(O)C2,0,GDB ChEMBL
182892,C=C(C=CCC(C)CCC)CCO,1,GDB ChEMBL
115145,CNC(=O)CC(NC=[NH2+])C(CN)NC=[NH2+],0,GDB ChEMBL
136446,NC(=O)C(N)C1C[NH2+]C1C(=O)[O-],1,GDB ChEMBL
249570,CNC(=O)C1OCCC2(C)CC2CC1=O,0,GDB ChEMBL
11266,N#CC(C(=O)[O-])C(O)C#CC[NH3+],0,GDB ChEMBL
48023,CCCCCc1cccc2c(C)ccc(Br)c12,1,GDB ChEMBL
363028,C#CC1C2c3cc(Cl)c(Cl)cc3C(C)C12,0,GDB ChEMBL
263995,CNC(=O)C(O)C(C)(N)C(N)=O,1,GDB ChEMBL
16000,CCC(C)C1(C)C(C)OCC1C(C)C,0,GDB ChEMBL
229416,CCC1CC2(C)C(C)CC(C)[NH+]1CC2(C)C,0,GDB ChEMBL
56679,CCC1C2CCCC1(O)C(C)(CO)C2C,0,GDB ChEMBL
190482,C#CC#CC(CCC)OC(C#C)CC(=O)[O-],1,GDB ChEMBL
362637,CC1(O)CC2(CNC(N)=[NH2+])C(=O)C1C2CO,0,GDB ChEMBL
273401,[NH3+]C1CC23OC2(CNC3=O)C1O,0,GDB ChEMBL
277386,[NH3+]CC(O)C1CC(C(O)CO)S(=O)(=O)N1,0,GDB ChEMBL
323367,C#Cc1cn(CC(=O)[O-])c2nccn12,1,GDB ChEMBL
381472,CCCCN1C2C=C(C)CCC(C(=O)[O-])C21,0,GDB ChEMBL
383786,COC1C(C(N)=[NH2+])OC(=O)C(N)C(CO)C1O,0,GDB ChEMBL
156177,C[NH2+]C1C=CC2(C)CC(C)CC2C1O,0,GDB ChEMBL
314930,Cc1ccc2c(c1Br)CC(CC(C)(C)C)C2,1,GDB ChEMBL
332715,NC(=O)C1COC(CC(=O)[O-])C1O,0,GDB ChEMBL
263833,O=C([O-])CC1(C(=O)[O-])CC[NH+]=CN1,0,GDB ChEMBL
205960,CC(CS(=O)(=O)[O-])C([NH3+])C(O)CO,0,GDB ChEMBL
325692,C#CC1(C(=O)[O-])NC1CC(=O)[O-],0,GDB ChEMBL
296626,N#CC(N)Cc1csc(S(N)(=O)=O)c1,1,GDB ChEMBL
180963,N#CC1CS(=O)(=O)[N-]C(=O)C1C[NH3+],0,GDB ChEMBL
381490,CC1=C(C=O)CCN1,1,GDB ChEMBL
135784,C[NH2+]C(C(N)=O)C1(O)C2C=C(C)C1C2C[NH3+],0,GDB ChEMBL
296337,N#CC12[N-]C(=O)OCC1C2C(N)=O,0,GDB ChEMBL
389063,NC(=[NH2+])C1(C(=O)[O-])CC1O,0,GDB ChEMBL
251462,Cc1ccc(Br)cc1C(C)[NH2+]C1CC1,0,GDB ChEMBL
346542,CC(C[NH3+])Cc1ccccc1I,0,GDB ChEMBL
147938,CN=C1NC(=O)C(C)(C)N1C1CC=C(C)C1,1,GDB ChEMBL
362993,CC1(CO)CC([NH3+])(c2cc(O)ccc2I)C1,0,GDB ChEMBL
134413,COc1cc(N)n(C)c1N(C)C,1,GDB ChEMBL
49132,[NH3+]CCCCC1(C[NH3+])CCCC1,0,GDB ChEMBL
338403,C#CC(C#N)C1CC(C(N)=[NH2+])C(OCC)CO1,0,GDB ChEMBL
185958,COC(C(=O)[O-])C(CO)C(N)C#N,0,GDB ChEMBL
58519,CCC(C)(CC)CC([NH3+])CCCC1CC1,0,GDB ChEMBL
32053,CC1(O)CCCN(Cc2nnc[nH]2)C1=O,1,GDB ChEMBL
332401,CCCc1onc(C=O)c1C,1,GDB ChEMBL
238589,CN1C(=O)NCC(CO)C1CN1CC1,0,GDB ChEMBL
391456,CN=C1CN(C(=O)CO)CC(OCCO)CO1,1,GDB ChEMBL
188491,CC1=CC2C(C)C1C1CCC[NH+]1C2C,0,GDB ChEMBL
261169,N#CCC1C2COC(=O)N12,0,GDB ChEMBL
37275,C#CC(CCN(CC)C(=[NH2+])NCC)C(O)C=O,0,GDB ChEMBL
326412,CCC1CCC[NH+]2C3CC(C1)CC32,0,GDB ChEMBL
171329,NC(=O)c1cc(N)c(C(=[NH2+])N2CC2)oc1=O,0,GDB ChEMBL
24243,CC1CCOC2COC(=O)CCC12,0,GDB ChEMBL
387072,CCC1(C)CCCCC=C(C)C(C)CC1,0,GDB ChEMBL
76092,CC([NH3+])CCCC(C)(C#N)C[NH3+],0,GDB ChEMBL
277418,CC1CCS(=O)(=O)CCO1,1,GDB ChEMBL
281807,NC(C[NH3+])CCC1(O)CC1,0,GDB ChEMBL
23510,NC(=O)c1nc(N)nc(=O)[n-]c1=O,0,GDB ChEMBL
219550,CC#CCCC(=O)CO,1,GDB ChEMBL
45664,CC(C)C(C)C(C)C[NH2+]CC(C=O)CN(C)C,0,GDB ChEMBL
201138,CC(C)C1(C)CCCc2cc(F)cc(F)c21,1,GDB ChEMBL
174653,CNc1nocc1C#CCO,1,GDB ChEMBL
235606,NC(=[NH2+])c1c[nH]cnc1=NCCCC(=O)[O-],0,GDB ChEMBL
349638,CCCC1(C)CC(C)C(CO)C1,1,GDB ChEMBL
34159,CC1=CCC(C[NH2+]C2CC2(C)C)CCC1,0,GDB ChEMBL
259491,C#Cc1cc(Br)ccc1C(C)C(C)C,1,GDB ChEMBL
322868,C#CCCCC1CCCCC1[NH+]1CCC(N)C1,0,GDB ChEMBL
190280,CC1=CC(C)(OC2CCC2)CCC[NH2+]C1,0,GDB ChEMBL
177063,CC1C(CCO)NC(=O)C1[NH3+],0,GDB ChEMBL
274925,C[NH2+]CC1(N)CC(CO)C1,0,GDB ChEMBL
147403,C#Cc1cc(C)cc2c1C(C)(C)C(C)CC2,1,GDB ChEMBL
280740,O=C1CC2(CC2)C(O)C1C1CC1,1,GDB ChEMBL
378250,CNc1cc(I)c(C(=O)[O-])nc1NCC(=O)[O-],0,GDB ChEMBL
307613,c1ccc2nc(c3c(nc1)NCCO3)CO2,0,GDB ChEMBL
11717,CC1(O)C2CC(NC=O)C1OC(=O)C(N)CO2,1,GDB ChEMBL
338279,CC1CC2C(C(=O)NC=O)C2C1O,1,GDB ChEMBL
17549,CCC1CC(C)CCCC(CC)C(C)(C)C1,0,GDB ChEMBL
203179,C=C(C=CC)c1cc(C)ccc1F,1,GDB ChEMBL
262350,C1=CCCC2(CC1)CCCCCC2C1CC1,0,GDB ChEMBL
351138,[NH3+]Cc1sccc1C(CO)CO,0,GDB ChEMBL
33182,CC#CCc1cc(F)cnc1C,1,GDB ChEMBL
302495,CCC(=[NH2+])NC1=NCCC(C(F)(F)F)OC1,0,GDB ChEMBL
254203,O=c1ocnc(NCCCO)c1O,0,GDB ChEMBL
116390,CCc1ccc(NC(C)CCC=O)s1,1,GDB ChEMBL
254855,N#CCCC1CC2CC3(CCCC[NH2+]3)CC2C1,0,GDB ChEMBL
201046,CC(C)C1=CC([NH3+])COC1=O,0,GDB ChEMBL
361826,Clc1cc2c(cc1Cl)OC1C=CCC1=C2,1,GDB ChEMBL
176482,CC12C3C=CC(C3)C1(C)C1C=CC2C1,0,GDB ChEMBL
288173,Cc1cn(C)cc1OC(=N)C(C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
48510,CNC(=O)NC1C2C(C)C(C)=CC12CO,0,GDB ChEMBL
152506,C#CC1CCCC2=CCOC(C(N)=O)C21C,0,GDB ChEMBL
153701,COC(=N)NC(=N)N(C=O)C(=O)C(C)N,1,GDB ChEMBL
118104,CCC(C)CCC1[NH2+]C1CC1CC1,0,GDB ChEMBL
40900,CCCC12CCC(CC)(C1)[NH2+]CCC2C(C)C,0,GDB ChEMBL
292567,OC(CC#Cc1ccc(F)cc1)C1CC1,1,GDB ChEMBL
271055,CCC1COC(C(OC)C(N)=[NH2+])C(C(=O)[O-])[NH2+]1,0,GDB ChEMBL
195387,Cc1c(C[NH3+])c(O)cc2c1cnn2C,0,GDB ChEMBL
190275,CC(C)N1CCCC(C[NH3+])NC(C)(C)C1=[NH2+],0,GDB ChEMBL
313322,N=C1CC(O)C(O)C(C(=O)OCC[NH3+])O1,0,GDB ChEMBL
394874,C#CCCCCCc1c(I)cccc1CCC,1,GDB ChEMBL
173858,[NH2+]=C1CC(O)C2OC(=O)C(N1)C(O)C2O,0,GDB ChEMBL
5279,Cc1csc(C)c1CC#N,1,GDB ChEMBL
147994,COC(=O)NCCC1(OC(C)=O)C=CCC1,1,GDB ChEMBL
132656,[NH3+]C(CNC(=O)CO)C1C=CNS1(=O)=O,0,GDB ChEMBL
70882,NC(=O)OCC(N)C1C[NH+]=C(N)N1,0,GDB ChEMBL
16005,O=CCC(COCCO)Nc1nnn[n-]1,0,GDB ChEMBL
72026,COC1(C)CCCC2C3CC(C)C(CC21C)[NH2+]3,0,GDB ChEMBL
341342,CCC1C2C(C)[NH2+]CCCC(C)C12C,0,GDB ChEMBL
310992,CCC(C1CC1)C1CC2[NH2+]CC1C2C,0,GDB ChEMBL
259584,CCc1c(C(=O)C(C)CC)ncn1C,1,GDB ChEMBL
290551,CN1C(=O)CC2C=CCC1(C)C2,0,GDB ChEMBL
277115,COCC1(O)CCCN2CC2C(C)(C)C1,0,GDB ChEMBL
223531,CNC(=O)C1C2(O)C[NH2+]C1(C(=O)[O-])CC(O)C2,0,GDB ChEMBL
238185,O=C([O-])C12CC3OC14C(=O)NC3C24,0,GDB ChEMBL
230763,Cc1cn(CCOC(N)=[NH2+])c(=O)n1C,0,GDB ChEMBL
351183,CC1CCC2C(C(=O)[O-])CC12,0,GDB ChEMBL
173949,Cc1cccc(I)c1C1(C)CCCCOCC1,1,GDB ChEMBL
319209,C[NH2+]C(CCC(C)=O)C1NCC[NH2+]CC1C,0,GDB ChEMBL
304834,CC1CC2CC(O)(C([NH3+])CCC#N)C[NH+]2C1C,0,GDB ChEMBL
40439,CCOC(=O)C1(C)CC2COC1COC2C#N,0,GDB ChEMBL
300194,CC(=O)CC1C2OCCC(C)(C1C)C2[NH+](C)C,0,GDB ChEMBL
181575,CC1CCCC1c1cc(I)cc(CCC=O)c1,1,GDB ChEMBL
26853,CC(C[NH3+])C(O)c1nccs1,1,GDB ChEMBL
277884,CCCC(=O)N1C(=N)CC1C1CC1,1,GDB ChEMBL
146886,NC(=O)C([NH3+])C(CO)CS(N)(=O)=O,0,GDB ChEMBL
318002,Brc1cc2ccc1C#CCCC1(CC2)CC1,1,GDB ChEMBL
328904,CC1CNC(=O)CC[NH2+]CC1C(O)(C[NH3+])C[NH3+],0,GDB ChEMBL
169399,O=C([O-])C[NH2+]C12CCC(=O)C=C1NC2,0,GDB ChEMBL
230497,CC[NH2+]C(C)C1C2CCC1C2C,0,GDB ChEMBL
49153,C=CCC1(CC)CC(C)CCC1C,1,GDB ChEMBL
207268,C1=CC([NH+]2CCOCC2)CC1,0,GDB ChEMBL
330389,C#CC1(OC)CC(C)([NH2+]CC)CC1CC,0,GDB ChEMBL
304080,CCc1nc(NC)c2n1C(C(O)CC)CO2,0,GDB ChEMBL
149958,CC1C(=O)NC2C3CC2[NH+]1C3,0,GDB ChEMBL
374225,CC1CC(OC=N)C([NH3+])C(=O)N1,0,GDB ChEMBL
191411,CCC1CCC2C(C1)C2C(C)OC,1,GDB ChEMBL
351400,Cc1cc(=O)oc2ccc(N)c(C#N)c12,1,GDB ChEMBL
76104,CCC1c2ccc(I)cc2CC1CC(C)(C)[NH3+],0,GDB ChEMBL
314970,C#CCC(C=C)=CCC=CCCC,1,GDB ChEMBL
196744,CC1CNc2nc(CNC(C#N)C=O)cn21,0,GDB ChEMBL
67587,CCCN(C=O)CC([NH3+])C(=O)[O-],1,GDB ChEMBL
305328,O=C1CC2(CCN1)C(O)C1CCC2(C(=O)[O-])[NH2+]1,0,GDB ChEMBL
212603,CC(CCC(N)=O)C1CCC(C)(C=O)C1,0,GDB ChEMBL
185930,CC1C=CC2C1C[NH+]1CCCC(C)C21,0,GDB ChEMBL
47503,CC(O)(C#N)CC1CC(C=O)NC1=O,1,GDB ChEMBL
226211,NC(=O)NCC(=O)OC1CC1O,1,GDB ChEMBL
277458,CC1CCC2CC2(C(O)CO)C1,0,GDB ChEMBL
240442,CN1C=[NH+]C(CC2CC2NC(=O)C[NH3+])C1,0,GDB ChEMBL
311676,CC(=O)C1OC2CCC[NH2+]C1CC2C,0,GDB ChEMBL
263311,CC1C([NH3+])CC2(C(=O)[O-])NC2C1O,0,GDB ChEMBL
116012,CCC(C)C(CC)OC(C(C)C#N)C(F)(F)F,0,GDB ChEMBL
194714,NC(=O)CCC(O)C1C([NH3+])C1(N)CNC=O,0,GDB ChEMBL
141934,NC(=O)C1CC2(CNC1=O)CO2,0,GDB ChEMBL
352641,CNC(=N)C(=O)OCCOC(N)=O,1,GDB ChEMBL
20505,OCC1C=CCc2c(F)ccc3c2C1=CC3,1,GDB ChEMBL
363765,CCC[NH2+]C12CCS(=O)(=O)C1(C=O)C2CO,0,GDB ChEMBL
207404,C[NH+]1CC2CC1CCC1C(O)C21,0,GDB ChEMBL
60618,N#CC(CNC(=O)C[NH2+]CCO)NC=O,1,GDB ChEMBL
136092,CC1C2[NH2+]CC(N1C(N)=[NH2+])C(O)(C(=O)[O-])C2C,0,GDB ChEMBL
374190,CC1COC(CCC#N)O1,1,GDB ChEMBL
10971,N=C(N)N1CC2N=C(N)OC2CC1=O,0,GDB ChEMBL
292564,CCCCC1C2C=C(C#N)C1C([NH3+])C2,0,GDB ChEMBL
178007,CC1NC(=O)C2(C)OC2C1C,1,GDB ChEMBL
301396,Cc1cc(NC(=N)C([NH3+])C(C)C)c(Cl)cc1Cl,0,GDB ChEMBL
22529,CCOC1C2C[NH2+]CC21O,0,GDB ChEMBL
160359,CC1C(=O)OC2C(O)CS(=O)(=O)NC1C2O,0,GDB ChEMBL
124561,CC1(C([NH3+])C2CCC2)CCCC1,0,GDB ChEMBL
130393,[NH2+]=C1NCC(O)CC1C(=O)[O-],0,GDB ChEMBL
190811,CC1(O)C2C(NC(N)=[NH2+])C(O)CC21C(=O)[O-],0,GDB ChEMBL
308200,NC1(C(O)C[NH3+])CC(=O)NC1=O,0,GDB ChEMBL
227598,CCNC(C=O)C(C(N)=O)S(N)(=O)=O,0,GDB ChEMBL
136707,CCNC(CCOC)=Nc1nc(C)co1,1,GDB ChEMBL
104910,CC(CC(CO)CS(N)(=O)=O)=NO,0,GDB ChEMBL
358904,CNc1scc(Cn2cccc2)c1C1CC1,1,GDB ChEMBL
182896,CC(C)[NH2+]CC(=O)Cn1cc(O)nc1N,0,GDB ChEMBL
301192,NC1C(=O)NC(=O)N2C1C2(C[NH3+])C(=O)[O-],0,GDB ChEMBL
305190,O=C([N-]S(=O)(=O)CCO)C1C2[NH2+]CC(O)C21,0,GDB ChEMBL
378253,N=C(NCCO)N1CCCCC1=O,1,GDB ChEMBL
141705,CCCC1C(=O)NC2(C)CC([NH2+]C)C1(O)C2[NH3+],0,GDB ChEMBL
300676,C#CC([NH2+]CC)c1ccccc1F,0,GDB ChEMBL
21476,O=C1C=CC(O)C(C(O)CO)N1,1,GDB ChEMBL
89375,CCCC(C)CC1=[NH+]CC(CC)CN1C,0,GDB ChEMBL
93112,CCC1CCC2(CC)Cc3ccc(Br)cc3C12,1,GDB ChEMBL
291926,CC1=C(C)CC(C)C(=O)CNC(C#N)C1,0,GDB ChEMBL
382097,CC#CC(C)(C)[NH+](C)CCC,0,GDB ChEMBL
309856,CC12CC([NH3+])CCOCC(N1)C(CO)OC2=O,0,GDB ChEMBL
176455,[NH3+]CC12C[NH2+]C(CCO)C1C2,0,GDB ChEMBL
394939,Cc1ncc(C2CCC(C)(C)C2CC#N)nn1,0,GDB ChEMBL
75077,NC(=O)C1N=CN(C2CC2)CC1N,0,GDB ChEMBL
157379,CCCNC(=[NH2+])C(C#N)CO,0,GDB ChEMBL
7380,O=CN1CC(=O)NC2CC(O)C1C2=O,0,GDB ChEMBL
255411,CC12CC[NH2+]CC1C1(O)C(=O)NC(CC2)C1[NH3+],0,GDB ChEMBL
225058,Cc1cc(F)ccc1C12C=CCC1=CCC2,0,GDB ChEMBL
53875,C#Cc1ccccc1CCCCC(C)C,1,GDB ChEMBL
227288,CC(=O)C(C)(C)C(C)C1(C)CCC[NH2+]1,0,GDB ChEMBL
73833,N#CC(O)C1CC(=O)C=CCO1,0,GDB ChEMBL
104640,C#CCN1CCCC2C(C(C)O)C[NH2+]CC21C,0,GDB ChEMBL
246776,Oc1cnc(C2COC2)c(F)c1,1,GDB ChEMBL
139774,CC1COC2CC([NH2+]1)C1CC1C2(C)C,0,GDB ChEMBL
284680,O=CNCC1C=CC=CCOC1=O,1,GDB ChEMBL
159857,C[NH2+]CC1Cc2ccc(Br)cc2C1C(C)(C)C,0,GDB ChEMBL
380247,C[NH2+]C1C(C[NH3+])CNC(C[NH3+])C1O,0,GDB ChEMBL
393921,CCCC(OC(=[NH2+])NC)(C(N)=O)C(N)=O,0,GDB ChEMBL
181717,N#CC1(C(=O)[O-])OC(=[NH2+])NCC1N,0,GDB ChEMBL
47558,CC(O)CCC(O)C([NH3+])CO,0,GDB ChEMBL
87113,C=C(C#CCC)CC(CCC)OC,1,GDB ChEMBL
274845,CC1C=CC(C(O)CCC(C)(C)O)CC1,1,GDB ChEMBL
118672,COC(=O)C1OC2C=CS(=O)(=O)NC2C1O,0,GDB ChEMBL
81494,CNc1nc2nc(C)ccn2c1O,1,GDB ChEMBL
20103,Cc1c(CS(N)(=O)=O)c([O-])c(Cl)c(=O)n1C,0,GDB ChEMBL
305341,C#CCN1CC(C)(C)CN(C)C1=O,1,GDB ChEMBL
41314,CCC1OC(CC(=O)NC)C2(C)CC1C2,0,GDB ChEMBL
85046,CC12C(O)CC3CNC(=O)C1N32,0,GDB ChEMBL
384823,CC(C)C1C(=O)C2(C(F)(F)F)CCCC1CC2,0,GDB ChEMBL
31053,CC[NH+]1CCC(C)(C)COC(C)(CC#N)CC1,0,GDB ChEMBL
70056,CCC1OCC(C(N)C#N)=CC1C,0,GDB ChEMBL
337089,C=C1CC(CC(=O)C(=O)[O-])NC1=O,0,GDB ChEMBL
126880,CCOC(=O)NC=NCCN1CC1,1,GDB ChEMBL
182277,CC1OCCS(=O)(=O)[N-]C(=O)NC1=O,0,GDB ChEMBL
340106,Cn1cc(N)[nH+]csccc1=O,0,GDB ChEMBL
17344,CCCC1(C2=CCCC(C)(C)CC2=O)CC1,0,GDB ChEMBL
29924,N=C1N2CCC(=O)OCC2CC(CO)S1(=O)=O,0,GDB ChEMBL
306367,Cc1cc2nc(N)c1C[NH2+]CCCC(O)C2,0,GDB ChEMBL
239395,Cc1nc(C2CCC2)c(C(C)(C)C)o1,1,GDB ChEMBL
200710,C#CC1C(C)OCC2CCC(C)C1(C)C2,0,GDB ChEMBL
300425,CCCC(C)C1(C(F)(F)F)C=CCC1,0,GDB ChEMBL
210954,CC[NH2+]C1CC2(C1)CC2CC,0,GDB ChEMBL
160345,C#CCc1ccc(CC(C)(C)CC)c(Cl)c1,1,GDB ChEMBL
34419,CC(=O)NC1CN(C2CC2)C1C,1,GDB ChEMBL
53284,[NH2+]=C1NCC2(CC2)c2c[nH]c(=O)cc2N1,0,GDB ChEMBL
267941,C#CC1(C)CC(C(C)CC)C(CCC)O1,0,GDB ChEMBL
341311,CC(NC(N)=[NH2+])c1c(CO)cc2cccnn12,0,GDB ChEMBL
208429,NC(=[NH2+])CC(O)C(O)C(O)CCC(N)=O,0,GDB ChEMBL
316134,CC1([NH3+])C(O)C1(O)CC[NH2+]CCO,0,GDB ChEMBL
381499,C#CCC(N)C[NH+]1C2CCCCCC1C(C)C2,0,GDB ChEMBL
104649,CC1[NH2+]C2CC2CC1C(F)(F)F,0,GDB ChEMBL
346503,C#Cc1nc2c(C(N)=O)c[nH]c2n1CCC,1,GDB ChEMBL
77389,Clc1ccc2c(c1)C1(CCC1)C1=CCCC12,0,GDB ChEMBL
278015,CC1=CCC2C=CC(=O)C2CC1,0,GDB ChEMBL
351180,COC(C)C1OC(=O)C2C1N2C,0,GDB ChEMBL
382116,CC1(OC=N)CC(O)C(=O)NCC1C#N,0,GDB ChEMBL
19400,CC1CC(O)C2COC2C1[NH3+],0,GDB ChEMBL
214396,CNCc1nonc1C(C)O,1,GDB ChEMBL
379163,CNC(=[NH2+])N1Cc2c[nH]c(C)c2C1C,0,GDB ChEMBL
330766,CC1C[NH2+]CC(N)C2C(C)(O1)C2([NH3+])C(=O)[O-],0,GDB ChEMBL
280457,CCC1CC2CCn3cccc3C1C(C)(C)C2,0,GDB ChEMBL
386467,O=C1NC(=O)C(C2COC2)C1O,1,GDB ChEMBL
37607,C#CCc1ccc(C2C(C)C2C)cc1,1,GDB ChEMBL
48511,C[NH+]=C(NCCC=NO)NC(=O)NCC#N,0,GDB ChEMBL
235951,CCOC1C(=O)CC2(O)CC12,1,GDB ChEMBL
377285,COCCN=C(CS(=O)(=O)[O-])N(C)C(C)=O,0,GDB ChEMBL
307576,C#CC1[NH+]2CC(CCC2C(C)CC)C1(C)C=O,0,GDB ChEMBL
35327,[NH3+]C1CC1CCC(=O)[O-],0,GDB ChEMBL
208247,Cc1nc(C(O)(CC#N)C(O)C(=O)[O-])co1,0,GDB ChEMBL
174251,C#CC(C)(C)C1([NH2+]C)CNC(C(N)=O)C1CO,0,GDB ChEMBL
167298,CC1C(O)C2CC2(C(N)=O)N1C(=O)C[NH3+],0,GDB ChEMBL
289381,C#CC1c2cccnc2C(CC)C12OCCO2,0,GDB ChEMBL
77855,CC12CC(C1)c1cc(F)c(C(F)(F)F)cc12,1,GDB ChEMBL
318800,CCC1(C)CCC2CC([NH3+])CC1[NH+]2CC(C)C,0,GDB ChEMBL
124535,C#CC(C)(C)CCN1CC(=O)CC([NH+](C)C)C1,0,GDB ChEMBL
77059,CCC(C)(C)CC12CC[NH+](CC(C)N1C)C2,0,GDB ChEMBL
144590,[NH3+]CC1C(CCO)N=C2CNC(=O)N21,0,GDB ChEMBL
321846,CCC(CCC1CC1)C1CO1,1,GDB ChEMBL
277916,CN1C(=O)C2(C)C(O)CC13CC23,0,GDB ChEMBL
161962,C#CCN(C)CCC(C)(CC(F)(F)F)[NH2+]C,0,GDB ChEMBL
24540,CC(O)C1[NH2+]C(C)C2OC12,0,GDB ChEMBL
174634,[NH3+]C1C(O)C2CCC(O2)C1C(=O)[O-],0,GDB ChEMBL
151722,CNc1c(OC)c[nH]c1C1CCCCC(=O)O1,1,GDB ChEMBL
248864,NC(=O)C(O)C(C(=O)[O-])C1CC1[NH3+],0,GDB ChEMBL
87068,N#CC1NCC2CNC1C(O)CC(=O)C(=O)O2,0,GDB ChEMBL
53823,CCNC(=O)C1CC(C#N)N=C(CO)N1,0,GDB ChEMBL
170114,CCC(CC)COC(CC)C[NH3+],0,GDB ChEMBL
345452,CC1(CC#Cc2cc(Cl)ccc2Cl)CC1,1,GDB ChEMBL
203608,Cc1c[nH]c(=O)c(N(C)C)c1,1,GDB ChEMBL
361666,CS(=O)(=O)Nc1cnc(I)c(C#N)c1,1,GDB ChEMBL
8725,Cc1c(C2([NH3+])CCC2)c(C#N)cn1C(N)=O,0,GDB ChEMBL
309783,CCC1C(=O)CCC2C1C[NH+](C)CC2(C)C,0,GDB ChEMBL
18829,CC1(O)C2CCCC21c1cccc(Cl)c1,0,GDB ChEMBL
260522,C[NH2+]C(C)C(C)([NH3+])C1CCNC(C#N)C1CO,0,GDB ChEMBL
323965,CC1CCCc2c(I)cccc21,1,GDB ChEMBL
320756,CNC(=[NH+]CCO)C1CN1CC(=O)[O-],0,GDB ChEMBL
167348,CC#CCC1CCC(C)(C([NH3+])C(=O)[O-])C1,0,GDB ChEMBL
317370,CC#Cc1cc(NC)ncn1,1,GDB ChEMBL
67813,CCC([NH3+])CC1CCC(C2CC2)C1,0,GDB ChEMBL
377822,C[NH2+]CC1CCC2CC3C(C2)C13,0,GDB ChEMBL
199060,COCC(C)(OCCC1CC1O)C(N)=O,0,GDB ChEMBL
287014,CCc1cc(C)cc(CCCCCCC[NH3+])c1,0,GDB ChEMBL
108122,CC1C(O)C2CC3C=CCCC3CC2[NH+]1C,0,GDB ChEMBL
191564,C=CNC(=O)OCCCC(C)(C)C,1,GDB ChEMBL
398899,Cc1cncc(C2=CC(C)[NH2+]CCC2=NO)c1,0,GDB ChEMBL
277747,CC12CC(OC(N)=O)C(O)C1C2[NH3+],0,GDB ChEMBL
142930,CC#CC12OC1C(CO)CC2(C)CCC,0,GDB ChEMBL
176429,O=C([O-])C1(CO)Cn2cncc2C12CCCO2,0,GDB ChEMBL
316456,CC1CC(C)C1CCC[NH3+],0,GDB ChEMBL
338960,CC(C)C1(O)CCC=CC(C(F)(F)F)C1,1,GDB ChEMBL
45701,C[NH2+]C1C(O)C(C[NH3+])C1C(=O)[O-],0,GDB ChEMBL
181370,N#CC1(Nc2cc(Cl)c(Cl)nc2Cl)CCCC1,1,GDB ChEMBL
397983,Cc1nccc2[nH]c(=O)c(C#N)cc2cc[nH]1,0,GDB ChEMBL
181374,COC(=O)NC(=N)c1snc(C)c1N,1,GDB ChEMBL
234501,CC1CC2C(O)C2OC(=O)N1C,0,GDB ChEMBL
377976,CCCC1C(C=O)CC1CC(=O)[O-],0,GDB ChEMBL
75453,N=C1NC(=O)CC(N)C(C(=O)[O-])N1,0,GDB ChEMBL
77773,CNC(=[NH2+])NC(=O)C1CC(C)C1,0,GDB ChEMBL
262308,COCc1c(C(=O)[O-])nnn1CCO,0,GDB ChEMBL
352577,C#CCCC(CNC=O)C1CC1,1,GDB ChEMBL
184126,CN1CCC2(COC2)C1c1ccnnn1,0,GDB ChEMBL
13904,CCCC(C)C12C=CCC(=CCCCC1)C2,0,GDB ChEMBL
17034,C#CC1C2CC(C#N)C1(C)CNCC[NH+]2CC,0,GDB ChEMBL
317759,COc1nc2ccn(C)c2c2c1ncn2C,0,GDB ChEMBL
240506,CC1=CC2CC1CC(C(C)C)CCCC2C,0,GDB ChEMBL
377799,NC(=O)C1[NH2+]CC(CC[NH3+])C1[NH+]=C(N)N,0,GDB ChEMBL
354036,Cc1nc2c(N)nc(Cl)cc2o1,1,GDB ChEMBL
38546,CS(=O)(=O)C(CC(N)=O)C12CN(CC1O)C2,0,GDB ChEMBL
377010,C=CC1CC[NH+]2CC3C1C3C2CC,0,GDB ChEMBL
2130,NC(=O)CC(NC=O)C(N)C[NH3+],0,GDB ChEMBL
284780,CC(O)C1OC(=O)C2NC1C21CCNC1=O,0,GDB ChEMBL
190124,Nc1ccc(F)c(CC[NH2+]CCC[NH3+])c1,0,GDB ChEMBL
345519,[NH3+]CC1OC2OC1C([NH3+])C2(O)CC(=O)[O-],0,GDB ChEMBL
5033,CC1NC2C(=O)[N-]S(=O)(=O)C2C1C#N,0,GDB ChEMBL
201383,C#CC1(O)CC([NH2+]C)(C(C)CCCO)C1,0,GDB ChEMBL
354412,CCn1cc(N)cc(C[NH3+])n(C)c(=O)[nH]c1=O,0,GDB ChEMBL
130438,COCc1nc(F)cc(NC=N)c1OC,1,GDB ChEMBL
11687,CC(CO)OC1CC([NH3+])(CC#N)CC1O,0,GDB ChEMBL
196770,COC1CC(C[NH3+])C2CC2(O)C1C,0,GDB ChEMBL
352606,CC1C2=CC[NH+](C)C2CCC1[NH2+]C(C)(C)C,0,GDB ChEMBL
77007,C#CC[NH2+]CCC1NCC1(CC)OC,0,GDB ChEMBL
210710,C=C(C)C1C(CC)C1CCC(C)C,1,GDB ChEMBL
127868,CC1CCC2CC[NH2+]C1C2[NH3+],0,GDB ChEMBL
372097,C[NH2+]C12C(O)CCNC1(C[NH3+])C2C(=O)[O-],0,GDB ChEMBL
78640,CC(C)([NH3+])CN1C(=N)OCC(CO)[NH+]=C1N,0,GDB ChEMBL
322885,CCN(C(C)=O)C(C)C#CC1CC(O)C1,1,GDB ChEMBL
214718,COC1CC(O)CC(C)C12COC2,0,GDB ChEMBL
56664,C#CC(CC(C(C)=O)C(F)(F)F)C(C)C,0,GDB ChEMBL
114350,O=CC(CCO)CN1CC1,1,GDB ChEMBL
350298,CC[NH2+]C(CC)C1C(CO)OC2CC21O,0,GDB ChEMBL
44367,CC#CCC1COc2cc(C)cc(I)c21,1,GDB ChEMBL
127205,COC(=O)CCC1C(O)C1(C#N)CC#N,0,GDB ChEMBL
252861,COC1C2OCCC(C)C12CC(=O)[O-],0,GDB ChEMBL
26365,[NH3+]C12C(=O)NC=NC1C(O)CC2C(=O)[O-],0,GDB ChEMBL
304106,COC1c2cc(F)ccc2C(C)C2CC1C2,0,GDB ChEMBL
112546,C#CC(O)C1CCCCC[NH2+]C(C)C2CC12,0,GDB ChEMBL
187198,CN(C)C(C=O)C1(CC2CCC(=O)N2)CO1,0,GDB ChEMBL
61287,CC(CO)(CO)NC(=O)[C-](C1CO1)S(C)(=O)=O,0,GDB ChEMBL
197419,C=CCC(=O)C(CO)=C(C)N(C)C,0,GDB ChEMBL
5353,C#CCCCCCCc1nc(N)c(C)s1,1,GDB ChEMBL
120410,Cc1csc(N(C(C)C[NH3+])C2CC[NH2+]C2)n1,0,GDB ChEMBL
190123,CC1CCOC1C(C)(O)C(O)C#N,1,GDB ChEMBL
37267,CCCC1(C)C(C(C)C)[NH+]1CC,0,GDB ChEMBL
252328,C#CC1C=CC2C1CC[NH+]2C,0,GDB ChEMBL
357678,CCC1C2CCCC1(C)C(CC(C)C)C2,0,GDB ChEMBL
77761,CNC(C[NH3+])C(NS(C)(=O)=O)C(O)C(C)[NH3+],0,GDB ChEMBL
25245,N#Cc1c(N)ncc(F)c1O,1,GDB ChEMBL
66728,N#CCCc1nccoccnc1O,0,GDB ChEMBL
79634,COC(=O)NCC1(C)CC=CC(C(N)=[NH2+])O1,0,GDB ChEMBL
190121,C#CCCCC(COCCC)C1CCCC1,1,GDB ChEMBL
236539,CCC12COC(CC(C[NH2+]C)CC1O)O2,0,GDB ChEMBL
124557,CCc1cnnn1C(C)C(C)CC1C[NH+]=CN1,0,GDB ChEMBL
292291,CCC(O)CC(=O)c1cc(C)c([O-])nn1,0,GDB ChEMBL
207390,CCCCCCc1cnsc1,1,GDB ChEMBL
343962,NC(=[NH2+])C1(N)C(NC(=O)CC[NH3+])CC(O)C1O,0,GDB ChEMBL
211003,COC(=O)CC(CN=CN(C)C(C)=O)=N[O-],0,GDB ChEMBL
316483,CC1[NH2+]CC2C(O)C3CC1C2O3,0,GDB ChEMBL
304388,[NH3+]CC1NC(=O)N2CC(CO)C([NH3+])C2C1O,0,GDB ChEMBL
104589,CC[NH2+]C(CN)CCC(C)(C)C1CC1,0,GDB ChEMBL
72385,N#Cc1cc(O)ncc1OC=N,1,GDB ChEMBL
274076,CCC(C[NH2+]C)OC(=N)NS(=O)(=O)CO,0,GDB ChEMBL
366877,CCC1(C(O)COC)CC(C)C1[NH3+],0,GDB ChEMBL
273992,CC[NH2+]C1CC(C)OC(C)C1C1(CC)CC1,0,GDB ChEMBL
320302,O=C(CO)C1=CC2[NH2+]CC2C1,0,GDB ChEMBL
195408,CC1(O)CC2CC1C(=O)O2,1,GDB ChEMBL
186552,CN=C(N)Nc1nccnc1C#N,1,GDB ChEMBL
61781,CC1C=C(C[NH+](C)C(C)C)C(CC#N)N1,0,GDB ChEMBL
392754,CN(C(N)=O)C(=O)C1=CC[NH2+]C1,1,GDB ChEMBL
131905,N#CCC(CO)n1cc(N)cc1C#N,0,GDB ChEMBL
281825,N#CC1NC2C(O)CC([N-]C1=O)C2O,0,GDB ChEMBL
191721,CC(=O)C(=O)n1ccc(CO)c1C,1,GDB ChEMBL
186583,C#Cc1cc(F)c(CC(F)(F)F)cc1CC,1,GDB ChEMBL
50994,C[NH2+]C1C(O)CC(CC(=O)[O-])OC1OC(N)=O,0,GDB ChEMBL
247578,CC=CNC(=O)c1cc(C)[nH]c1C,1,GDB ChEMBL
358862,COC(CS(N)(=O)=O)C1CN1CC[NH3+],0,GDB ChEMBL
119296,[NH3+]C1(C(O)C(=O)[O-])CN(C=O)C(=O)NC1CO,0,GDB ChEMBL
269315,C#Cc1cc(C)nc(OC)c1I,1,GDB ChEMBL
140140,CC1CC(C)C(C)CC(C2CC2)O1,1,GDB ChEMBL
13875,CC1OC(C[NH3+])(C(=O)[O-])C=C1CC(=O)[O-],0,GDB ChEMBL
269348,CC1CCC(C)(C)NC(=O)C(C)[NH2+]C1,0,GDB ChEMBL
209855,C#CCC(C)[NH2+]C1C(C)CC(CC)C1C,0,GDB ChEMBL
315275,CCC1(C)CCC2CCCC=CC21,0,GDB ChEMBL
68652,CCC1CC2CCCC3=CCCCC312,0,GDB ChEMBL
107033,C#CCc1nc(C(F)(F)F)cc(F)c1C#C,0,GDB ChEMBL
190388,Cc1c2ccnc1CC(C)CC=CC1CC21,0,GDB ChEMBL
159876,CC1(C(=O)[N-]S(C)(=O)=O)CC[NH2+]CC1N,0,GDB ChEMBL
287029,CC1OCC1(C#N)C(N)C(=O)N(C)C,0,GDB ChEMBL
221678,C#Cc1ccoc1C(CC(C)(C)C)OC,1,GDB ChEMBL
337139,CCOC(CNC(N)=[NH2+])C(C)O,0,GDB ChEMBL
78351,CNC(=O)C1C(C#N)C1S(N)(=O)=O,0,GDB ChEMBL
140261,COC(C)(C)C1CC12[NH2+]CCCC2C(C)O,0,GDB ChEMBL
187201,CCC1C(C)CC=CC(C)C1C(C)(C)C,0,GDB ChEMBL
808,[NH3+]C(CNC1=[NH+]CCC1)CC(=O)[O-],0,GDB ChEMBL
376667,C#CC(C(=C)CO)C(C)(C)CC=C,0,GDB ChEMBL
4783,CNc1cc(C#N)sc1OCCC[NH3+],0,GDB ChEMBL
346824,Cc1c(C[NH3+])ccn1C1CCC1,0,GDB ChEMBL
217382,CC(C)CCC1CCC(=O)C1C=O,1,GDB ChEMBL
13185,[NH3+]CC1CCNC(=O)CNS(=O)(=O)OCC1,0,GDB ChEMBL
144639,C#CC1C2CC2CCCC[NH+]1C,0,GDB ChEMBL
160037,COCC1([NH2+]CC=O)CCC1C,0,GDB ChEMBL
235652,CCN1CC(C#N)OCCOCC(OC)C1C,1,GDB ChEMBL
336041,CC1=CCC(C(=O)[O-])C2NC12CC[NH3+],0,GDB ChEMBL
137115,N=C1OC2C[NH2+]CC1CC(O)C([NH3+])COC2,0,GDB ChEMBL
269178,C[NH2+]CCOCC1(c2nc(C#N)cs2)CC1,0,GDB ChEMBL
831,CC12CCCCCC(CCC3CCC(C3)C1)C2,0,GDB ChEMBL
170399,Cc1ccc2c(c1CO)OC(C=O)CCO2,1,GDB ChEMBL
267908,[NH3+]C1C(CCO)C2NC(=O)C1(O)C2O,0,GDB ChEMBL
81419,CCC(C)CC1CCCC(C)(CC)CC(C)C1,0,GDB ChEMBL
323947,Cc1coc2c([O-])c(Br)c3cc[nH]c3c12,0,GDB ChEMBL
303927,CCCC1C(C)CCC2[NH2+]CCC21,0,GDB ChEMBL
107847,CCCC1CC[NH2+]C2(CC(O)C2)C1,0,GDB ChEMBL
215428,CC(O)CC1(N2CC=CC2)CC[NH2+]C1,0,GDB ChEMBL
76979,O=C1CC=CC(O)CCC1,1,GDB ChEMBL
31103,Cc1cccnc1C1(C)CC=CC1C,1,GDB ChEMBL
305487,CCN(C)C(C(N)=O)C1CO1,1,GDB ChEMBL
301379,COCC([NH3+])C1CC1C(C)(C)NC(=O)C[NH3+],0,GDB ChEMBL
398801,CC([NH3+])C1(N)C(=O)OCCOCCC1(C)O,0,GDB ChEMBL
100719,CCC(C)c1c(Br)cccc1CC(C)(C)CC,1,GDB ChEMBL
24043,NCC1[NH2+]CC=Cc2ccccc21,0,GDB ChEMBL
382221,CCC1(C)CC2(C)CCCC1[NH2+]CCC2CO,0,GDB ChEMBL
17574,Cc1cccc(CC#CCCNC=[NH2+])c1,0,GDB ChEMBL
268142,C[NH2+]CC1CC(CC(C#N)C[NH3+])=CC(=O)N1,0,GDB ChEMBL
299746,COC12C3[NH2+]CC1(O)CC(O)C2NC3=O,0,GDB ChEMBL
87662,CC#CCC1C=CC(CCC)CC1,0,GDB ChEMBL
391668,CC1C=CC2CCCCCCC12C,1,GDB ChEMBL
355790,NC(=[NH2+])OCC(C=O)C(=O)NCC(=O)[O-],0,GDB ChEMBL
240837,C#CC1(C)CC(c2ccc(Br)nc2NC)C1,0,GDB ChEMBL
114812,C[NH+](C)C1CCOC(=N)C1,0,GDB ChEMBL
257456,CCCC1(C)CC2CCC1C(C)C2CC,0,GDB ChEMBL
285060,CCC(c1cc(C)cs1)C(C)C,1,GDB ChEMBL
290517,CC[NH+]=CNCC(CO)CO,0,GDB ChEMBL
57315,Cc1ccc(C=C2CC(C)C2)cc1,1,GDB ChEMBL
304479,O=C(c1ncon1)C1[NH2+]CCC1O,0,GDB ChEMBL
156021,NC1(CO)C[NH2+]C2C(C(=O)[O-])C21,0,GDB ChEMBL
353529,CN1C(=O)C(=O)CCN2CCN=C21,1,GDB ChEMBL
391782,COC1C(C)C2CCC(=O)C1(C=O)CCC2O,0,GDB ChEMBL
84564,CC1(C[NH3+])OC(C[NH3+])CC(C(=O)[O-])C(O)C1[NH3+],0,GDB ChEMBL
203892,C[NH+]=C1NCCCC(O)C(C2CC=CC2)O1,0,GDB ChEMBL
224039,N#CC1(CC(=O)[O-])C2C(C=O)CS(=O)(=O)N21,0,GDB ChEMBL
203604,CC12CCCC(C)(C3CC=CCC31)C2(C)C,0,GDB ChEMBL
283447,CN1C(=O)C([NH3+])C(O)CC([NH3+])C2C(O)C21,0,GDB ChEMBL
343269,C#CC1CS(=O)(=O)[N-]C1=O,0,GDB ChEMBL
2343,NC(=[NH2+])C1NC(C(N)=O)C2OCOC12,0,GDB ChEMBL
180860,C[NH+](C)CC1C2CCCC2C2CC21,0,GDB ChEMBL
142534,CCC1C=C(C2CCC2)C[NH+]1C,0,GDB ChEMBL
308189,CC1(C[NH3+])CC(O)Cc2c1ccnc2N,0,GDB ChEMBL
288462,O=C1CC2C(CCN3CC23)C(=O)CO1,0,GDB ChEMBL
87093,[NH3+]C1CC(C(=O)[O-])C2OC1CNS2(=O)=O,0,GDB ChEMBL
22008,Cc1cc(F)c2c(c1)C(C)C(C)(C)N2,1,GDB ChEMBL
284736,O=C1OCC2NC1C1CC(O)C2C1,0,GDB ChEMBL
23637,COCCC1(C)CCC2CC(=O)N2C1,0,GDB ChEMBL
48079,CC(NS(C)(=O)=O)C1C(=O)N(C)CC2(C)OC12,0,GDB ChEMBL
344325,C#CCCC(NCC=O)=[NH+]CCn1cccc1,0,GDB ChEMBL
4844,CC(=O)NC(c1noc(C)n1)C1CO1,1,GDB ChEMBL
168419,CC#CCNC(CC#N)CCC[NH3+],0,GDB ChEMBL
205928,CCOC(C#N)C1CCCC(O)CO1,1,GDB ChEMBL
316477,CCc1nc(N=C(NC(N)=O)OC)cs1,0,GDB ChEMBL
2148,CC1CC[NH+](C)C1C1OCCCC(C[NH3+])O1,0,GDB ChEMBL
78627,O=S1(=O)CC(O)CNC(CO)CN1,0,GDB ChEMBL
354572,C#CCC1C(C)(C)C[NH+](C)C(C)C1(C)CC,0,GDB ChEMBL
379351,Nc1ncc(S(N)(=O)=O)c(O)c1O,1,GDB ChEMBL
308131,[NH3+]Cc1nnn2c1C(=O)NCCC2,1,GDB ChEMBL
59658,CCC1C=CCC(CC(C)(C)C=O)C[NH+]1C,0,GDB ChEMBL
79260,CCCC(C)(C[NH3+])C(C)C1COC1,0,GDB ChEMBL
389663,CCOC1CC2CCOCC1C(=O)N2,0,GDB ChEMBL
21486,COCC(OC=O)C1OC(C(=O)[O-])C(O)C1[NH3+],0,GDB ChEMBL
199059,CC1(CO)CCC2CC1NC2=O,0,GDB ChEMBL
305968,C=C(CCCC)C1C2C=CC1[NH2+]C2,0,GDB ChEMBL
82160,COCC1(C#CCc2cncs2)CC1,0,GDB ChEMBL
119394,CC1CC(CO)[NH+](C)CCC(C(C)O)[NH2+]1,0,GDB ChEMBL
228813,CC(C(=O)[N-]S(C)(=O)=O)C1(O)C([NH3+])C1O,0,GDB ChEMBL
79492,CCC1=CC[NH2+]CC(OC)C1(C)C,0,GDB ChEMBL
53286,CC1CC=C2c3ccc(Cl)cc3C3CC3C21,0,GDB ChEMBL
124767,COCC1([NH3+])CNC(C#N)(C(C)N)C1C(=O)[O-],0,GDB ChEMBL
16757,CCCC(=O)Oc1nc(NCC(C)O)ns1,1,GDB ChEMBL
136048,CC(=O)NC(=N)C([NH3+])CCS(=O)(=O)[O-],1,GDB ChEMBL
274389,CC1=CCCCCC1(C)CC1COC1,0,GDB ChEMBL
83147,COC(=O)COC(C(N)=O)S(N)(=O)=O,0,GDB ChEMBL
174220,CCC1CC([NH3+])C(CN)(C(N)=O)C1C#N,0,GDB ChEMBL
110198,NC(=O)OC1(C=N[O-])C2CC1[NH+](CCO)C2,0,GDB ChEMBL
40341,N#CC(O)(C(=O)[O-])C(O)CNC(N)=O,0,GDB ChEMBL
320766,CCCC1CC(O)C2(O)C(CC)C2C[NH+]1C,0,GDB ChEMBL
6089,NC(=O)OC12CCOCC[NH2+]CC(NC1)C2=O,0,GDB ChEMBL
157490,CCOC1COC(=O)C2(O)CC12,0,GDB ChEMBL
273413,C[NH2+]Cc1cc(F)c(F)c2c1C=CCN2,0,GDB ChEMBL
218536,CC1CCCC(C)C2CCCC1C(C)CC2C,0,GDB ChEMBL
358513,CC1CCC[NH2+]CC2=CC(C)(C)C(=O)C21,0,GDB ChEMBL
355293,CC(C[NH3+])C1OCC2NC2C1O,0,GDB ChEMBL
306379,CC[NH2+]C(CC)CNC1C([NH3+])C(CO)C1O,0,GDB ChEMBL
181699,Nc1n[nH]c2c(N)cncc12,1,GDB ChEMBL
190003,[NH3+]CC1C2C=CCc3ncccc3C=CC21,0,GDB ChEMBL
263222,CCC1(C(N)=[NH2+])COC(C(O)C(=O)C(=O)[O-])C1,0,GDB ChEMBL
180957,[NH3+]C1(CC(=O)[O-])CC2CN2C1=O,0,GDB ChEMBL
285062,CC1C2CC[NH2+]C1C1(C)C(C(N)=O)C21,0,GDB ChEMBL
285554,N=C1OC(CO)C1(C[NH3+])C(=O)[O-],0,GDB ChEMBL
160017,N#CC1(C(=O)[O-])C(=[NH2+])NCC1O,0,GDB ChEMBL
173973,COCC1(OC)CC[NH2+]C1,1,GDB ChEMBL
303902,C#CC1CC(=O)NCC(O)C1,0,GDB ChEMBL
47703,N#CCN1C(=N)C2CNC(C1=O)C(O)C2=O,0,GDB ChEMBL
385589,CCCC1C2CC2C[NH2+]C1C1CC1,0,GDB ChEMBL
87476,N=C1CN(C=O)C(=O)[N-]C(C(O)C[NH3+])C(=O)N1,0,GDB ChEMBL
150160,C[NH2+]C1C(=O)C=C(C)CC1OC1(C)COC1,0,GDB ChEMBL
51070,Cc1ccnc2[nH]c(C(=O)[O-])c(O)c12,0,GDB ChEMBL
347005,CNC(C(N)=O)C(=O)CC(=O)C(=O)[O-],0,GDB ChEMBL
66733,CC1OC(C(N)=[NH2+])C(CO)NC1=O,0,GDB ChEMBL
84859,C#CC(C[NH3+])(CC#N)C(O)COS(N)(=O)=O,0,GDB ChEMBL
147208,CC(C)CC1C([NH3+])CC(C)(C)CC1(C)C,0,GDB ChEMBL
48194,CCCCCCC1(O)CCCC(CO)CCC1,1,GDB ChEMBL
133318,[NH3+]CC1N2C(=O)CC(O)C12C(=O)[O-],0,GDB ChEMBL
34716,N#C[C-](C(N)=O)C1NC(=O)C([NH3+])C1O,0,GDB ChEMBL
180042,COC1C([NH3+])C(C[NH3+])CC([NH3+])C1O,0,GDB ChEMBL
190120,N#C[C-](C(=O)[O-])C1(C#N)COC1C[NH3+],0,GDB ChEMBL
391709,CC1Cc2c(F)cccc2C1O,1,GDB ChEMBL
248257,Cc1cc(C(=O)OCC(C)C)cc2cscc12,1,GDB ChEMBL
119885,C#CCC1CNS(=O)(=O)CCC1C(=O)[O-],0,GDB ChEMBL
151790,CCc1c(C)cc(Br)cc1C(C=O)CC,1,GDB ChEMBL
174215,C[NH2+]C1CN2C(=NCC(O)C2C(N)=O)C1O,0,GDB ChEMBL
348424,CNC(=O)c1c(C[NH3+])nc(C)c(NC)nc1=O,0,GDB ChEMBL
135375,CC1OC2CC1c1ccccc1CC2(C)C,0,GDB ChEMBL
341324,C#CCCC(C)OC(C#CC)C[NH+](C)CC,0,GDB ChEMBL
130638,Nc1ccc2cc1OC1CC=C(CC2)CC1,1,GDB ChEMBL
274655,CC(COC(N)=O)[NH2+]C(CC#N)C(C)C,0,GDB ChEMBL
350246,CC#CC(O)C(OC)C(N)C#N,0,GDB ChEMBL
45731,CN(CC(N)CC[NH3+])C(=N)S(N)(=O)=O,0,GDB ChEMBL
244568,N#CCC(=O)OC1(CCC=O)CCC(O)C1,1,GDB ChEMBL
236752,O=C1NC(C(O)C(O)CS(=O)(=O)[O-])C2CC12,0,GDB ChEMBL
85827,CCC(=O)N(C)CC1(O)C=C(C=O)CCC1,0,GDB ChEMBL
325252,[NH3+]CC1C2NC(=O)C([NH3+])C(C2O)C1NC=O,0,GDB ChEMBL
185280,CN1C(=O)C(C#N)NC(C[NH3+])c2[nH]ccc21,0,GDB ChEMBL
399024,CCCC([NH3+])(C(=O)NCC)C1CC(C)C1,0,GDB ChEMBL
95889,COC1C=CCC(C)C(CC=O)C1,0,GDB ChEMBL
318029,CNc1nc(=O)c(O)cc2c1NC(C)C2,0,GDB ChEMBL
210721,CC(C)C(=N)OC1C[NH2+]C2CCC1CC2(C)C,0,GDB ChEMBL
289274,CC(=O)NC(=O)CNc1ncnnn1,0,GDB ChEMBL
74321,C[NH2+]C1C(C)C2C(NCCO)C1NS2(=O)=O,0,GDB ChEMBL
240479,CCC1C2C([NH3+])CC(c3ccsc3)C12,0,GDB ChEMBL
140845,C[NH2+]CC(CNC=O)C(O)CO,0,GDB ChEMBL
142934,C[NH+](C)CC(C)(O)C(=O)[O-],1,GDB ChEMBL
110205,CCC1CC2(C)CC3(CCC2C3)[NH2+]1,0,GDB ChEMBL
275664,NC(=O)C(O)C1C2CCC(C(=O)[O-])N21,0,GDB ChEMBL
53319,CC[NH2+]CC1CC(C=O)C(=O)CO1,0,GDB ChEMBL
379405,CC1=CCCCCC2(CCCC(C)C2)C1,1,GDB ChEMBL
192591,CC(C)CN1CC(=O)C1,1,GDB ChEMBL
190333,N=C(N)C(=O)N1C2CCC1CC2,1,GDB ChEMBL
338155,N#CC1(N)C(=O)[N-]C(C(N)=O)C1O,0,GDB ChEMBL
200712,CC(=N)N(CC(=O)[O-])c1cnn(C)c1C(=O)[O-],0,GDB ChEMBL
323355,CC1(C)NC1CNC(=O)C1([NH3+])CC1,0,GDB ChEMBL
140331,NS(=O)(=O)CC([NH3+])COC(=[NH2+])NC1COC1,0,GDB ChEMBL
375845,CC12OC(=O)C(C)(C(O)C1[NH3+])C2C(N)=[NH2+],0,GDB ChEMBL
321375,O=C([O-])C12C[NH2+]C13CCC2OC3,0,GDB ChEMBL
261367,CC1=CC=CCC2[NH2+]CCC12,0,GDB ChEMBL
271581,CC([NH3+])C(O)CNC1CC([NH3+])C1,0,GDB ChEMBL
34786,CCC1(C)C2CCCCC1(C(N)=O)C2,0,GDB ChEMBL
5241,CNC(=[NH+]CCC1(C)CCCC([NH3+])C1)C(C)C,0,GDB ChEMBL
260554,CCN(C)C(C)=[NH+]CC1CCC1,0,GDB ChEMBL
382602,CC(C)OC1C2CC(C1C[NH3+])[NH+](C)C2,0,GDB ChEMBL
63154,CC(O)C1CC1(O)C(N)=O,1,GDB ChEMBL
249811,C#CC12NC1C(C)C1CC[NH+](C)CC12,0,GDB ChEMBL
214031,CC(=O)C1[NH2+]CCC(O)C1CO,0,GDB ChEMBL
83044,COC(C)C1CCC(C)(C(O)C2CN2)OC1,0,GDB ChEMBL
221684,CCC(C)CC1C(C)C2CCCC1(C)[NH2+]2,0,GDB ChEMBL
310161,CCC(C)(CC(C)C)[NH2+]CC1(OC)COC1,0,GDB ChEMBL
31406,C#CC(C#CC)C(O)CCC(O)CCC,1,GDB ChEMBL
71970,CCC(C[NH+](C)C)c1cc(C)cc(CCO)n1,0,GDB ChEMBL
290550,N=c1nc(OCC(=O)[O-])n(CC[NH3+])c(N)c1O,0,GDB ChEMBL
192597,CC(CC1C[NH2+]1)CC(O)C(N)=O,0,GDB ChEMBL
190311,COc1cnc(CS(=O)(=O)[O-])nc1,0,GDB ChEMBL
269369,NC(=[NH2+])NCc1nccnn1,0,GDB ChEMBL
292272,C#CCC1CCC(C)(CCCCC)CC1,1,GDB ChEMBL
140860,CC1C(c2ccccc2)CCC1(C)C(C)(C)C,0,GDB ChEMBL
181525,CN1CC2[NH2+]CCC2C2CC21,0,GDB ChEMBL
247564,COCCOC1CC(O)(CO)CC1CCCO,0,GDB ChEMBL
244657,C[NH2+]C1CC(C(CN)[NH+](C)C)C2CC12,0,GDB ChEMBL
148343,CC(O)CNC(N)=NC(C(N)=O)C(N)=O,0,GDB ChEMBL
334487,CC1(CO)CC2[NH2+]CC3CCC(CO3)C2(C)C1,0,GDB ChEMBL
305152,CCc1csc(CC(C)C)c1CC(C)CCO,1,GDB ChEMBL
334036,CC(=O)CCC1C=CCNC(=[NH2+])O1,0,GDB ChEMBL
209493,CCCCCC1(CC)CC2CC1(C#N)C2,0,GDB ChEMBL
204623,CC(O)C1OCC([NH3+])C1C(=O)[O-],0,GDB ChEMBL
251876,CCOc1cc(C)oc1C#N,1,GDB ChEMBL
109606,CCCCC1C2CC2C2CC=CC21C,0,GDB ChEMBL
272536,[NH3+]CC1(O)C2CCOC1CCO2,0,GDB ChEMBL
341200,CC(CO)c1n[nH]cc1CCO,1,GDB ChEMBL
219518,CCCC1CC([NH3+])C2CC(C2)[NH2+]1,0,GDB ChEMBL
311042,Cc1cc(Cl)c2c(c1)CC(C1(C)CC1)C2,1,GDB ChEMBL
195213,CCC(CO)NS(=O)(=O)C(C)CC(O)C(N)=O,1,GDB ChEMBL
389366,CNC(=[NH2+])Nc1onc(CCO)c1C,0,GDB ChEMBL
50976,CCC1CC2(C)CCC(C)C1C([NH3+])CC2,0,GDB ChEMBL
394259,C#CC1CC(=[NH2+])NCc2ccoc2CC([NH3+])C1,0,GDB ChEMBL
311318,CCCC1CC(O)C(=O)CC(C(CC)CO)[NH2+]1,0,GDB ChEMBL
265533,C#CC(C)(CC#N)CCCCCO,0,GDB ChEMBL
368166,Cc1cc(C(N)=[NH2+])ncc1N(C)C(C)C(C)O,0,GDB ChEMBL
48032,COC1C2CC(=O)C(N2)C1OS(N)(=O)=O,0,GDB ChEMBL
390101,C#CC1([NH3+])CC(=O)OC(CC)C1,0,GDB ChEMBL
292297,CCC([NH3+])C(C)(C)CCc1ccc(I)c(I)c1,0,GDB ChEMBL
221381,Cc1c(Br)cc(Br)c2c1CC(C)CCC2,1,GDB ChEMBL
253631,COC(CO)C1CC1C1CN1C,0,GDB ChEMBL
77860,COCC1C2CNC(=[NH2+])C1(N)C(=O)O2,0,GDB ChEMBL
197053,C#CC1C(C)[NH2+]C(C(C)O)C1C#C,0,GDB ChEMBL
29250,CC#CC#CC(NC)C(=O)CCC,1,GDB ChEMBL
375833,CC1CCNC(=O)OCC1(O)CCC(O)C#N,0,GDB ChEMBL
330762,CC[NH+](CCO)CC1(NC(N)=O)COC1,0,GDB ChEMBL
23623,COC1CC(O)CC(NC(N)=O)C1[NH3+],0,GDB ChEMBL
192614,CC([NH3+])CC(C)C[NH+]1CCC2(CO)C(O)C12,0,GDB ChEMBL
98657,COC1C([NH3+])CC2C(C)CC3CC(C)C1C32,0,GDB ChEMBL
274388,CCC1(CC)OC(=O)N2CC3C4CC1C2C43,0,GDB ChEMBL
279263,CCCCCC12CC(C)C(CC1C)C(C)(C)C2,0,GDB ChEMBL
370312,CCC(=O)NC(C=O)COC(C)S(N)(=O)=O,0,GDB ChEMBL
3807,CCC1CCCC2CC3C4CCCC43C[NH+]12,0,GDB ChEMBL
201028,CCC(C)(C)C(C)[NH2+]C(C)c1cccnc1Cl,0,GDB ChEMBL
168399,COCCC1C[NH2+]C(C)C=C1CC#N,0,GDB ChEMBL
386497,CC#Cc1c(OC(C)C)ncc(Br)c1Br,1,GDB ChEMBL
347901,C=CCCC=C1C(C)CCCC1C,1,GDB ChEMBL
285592,CC1C(=O)NCCN1C=O,1,GDB ChEMBL
157383,CC1C=CCC(C)(C)C2CCCCC2C1,0,GDB ChEMBL
94741,CCC(C)C(=O)CC(C)CCCO,1,GDB ChEMBL
159700,CNC(=O)C(COC)N=C(N)CO,0,GDB ChEMBL
129567,NC(=O)C1NC(=O)OC1C1NC(=O)C2CC21,0,GDB ChEMBL
388454,CC[NH2+]Cc1cc(C)nc(=[NH2+])n1C(C)C,0,GDB ChEMBL
398775,COc1c(OCCC[NH3+])cc(N)nc1I,0,GDB ChEMBL
288554,C#CC(=O)c1ccc(Cl)c2c1C(C(C)C)CC2,1,GDB ChEMBL
44609,CC1=CCC(C2CC2C(C)(C)C)CC1,0,GDB ChEMBL
290578,NC1=NC2C3C(O1)C([NH3+])CCOC23C(=O)[O-],0,GDB ChEMBL
333066,CCC(C)(NC)C(C#N)C#N,1,GDB ChEMBL
17565,CCC(=NCC[NH3+])OC1CN(CC(N)=O)C1,0,GDB ChEMBL
47241,N#CC(c1cccs1)N1CC1,1,GDB ChEMBL
106994,CC(=O)CC(C)CC(O)CCO,1,GDB ChEMBL
324082,COCCCn1nc(C)cc1C,1,GDB ChEMBL
77495,CNC(=O)c1scnc1NCC[NH3+],0,GDB ChEMBL
97116,CC(O)C1NC(=O)C2(CN2C)C1O,0,GDB ChEMBL
288709,CC1=CCCCC(C)C=C(C)C=C1,0,GDB ChEMBL
224041,CC(O)CC12CC(C[NH3+])(CCC(=O)O1)C2,0,GDB ChEMBL
227729,C=CC[NH+]1C(C)C2CC1C1CCC21,0,GDB ChEMBL
195485,COc1n[nH]nc1C(C)[NH2+]CC1CC1,0,GDB ChEMBL
298035,CNC(=O)C1(C#N)CC1N,1,GDB ChEMBL
294185,C#CCCC1(CC(CC)CC)CCCCCC1,1,GDB ChEMBL
391312,N#Cc1c(CCC[NH3+])sc(N)c([N+](=O)[O-])c1=O,0,GDB ChEMBL
348632,N#Cc1csc([NH+]=C(N)N)nc1=O,0,GDB ChEMBL
317954,CCC(C)C1(C2CCC(C)(C)CC2)CCCC1,0,GDB ChEMBL
59199,CC(C)C12CCCCCC(CNC(=O)C1C)[NH2+]2,0,GDB ChEMBL
235570,NC(C[NH3+])C1C(CO)C(=O)NC(=O)C(O)C1O,0,GDB ChEMBL
297006,CC[NH+]=C1NCCOC(CC)C1C,0,GDB ChEMBL
133294,CCOC(=O)C(C)C1C([NH3+])C(C)(O)C1(C)[NH3+],0,GDB ChEMBL
304579,CCC1COC2CC[NH2+]C2C2C(C)CC[NH+]12,0,GDB ChEMBL
127688,CCCN(C=[NH+]CCO)C1(C[NH3+])CC1,0,GDB ChEMBL
156504,CCCC(C)C1CC(C)(OCC)C(O)CC1C,0,GDB ChEMBL
194721,CC[NH2+]CCNC(=O)C(C)C(C)(C)[NH3+],0,GDB ChEMBL
331143,CC1(C)CC(C=O)(c2ccc(Br)cc2)C1,1,GDB ChEMBL
45934,N=C(N)c1c(C(N)=O)c(N)noc1=O,0,GDB ChEMBL
53277,C[NH2+]C1CC2CCOC3(C1)CN2C3,0,GDB ChEMBL
292732,[NH3+]CC1NCCN2CCC1C([NH3+])C2,0,GDB ChEMBL
22048,N#CC1(N)CNC(=O)C(=O)OCOCCC1O,0,GDB ChEMBL
305606,CCC(C)C1CC[NH+]2CC1C2,0,GDB ChEMBL
110241,C#CC1Oc2c(Cl)c(Cl)cc(C#N)c2C1CC,1,GDB ChEMBL
209720,CCCC1CC(C)C2CC=C(C(C)C)C2C1,0,GDB ChEMBL
137116,CCC1CC1c1c(C)cc(I)cc1C,1,GDB ChEMBL
181155,NC(=[NH2+])Nc1cc(N)cc(N)c1C(=O)[O-],0,GDB ChEMBL
289842,COCC([NH3+])c1cc([N+](=O)[O-])cn1C,1,GDB ChEMBL
214872,CCCC1OCC2C(Cc3cccs3)CC12,0,GDB ChEMBL
221926,NC1=NC2(CC(=O)[O-])C3=NCCN3C(=O)C2O1,0,GDB ChEMBL
135828,CCC1COC2C(O)CC1C2OC,0,GDB ChEMBL
288615,CC1CCC2C(C)C1C1C[NH2+]CC21,0,GDB ChEMBL
191382,Cc1nc(O)c2c(n1)CNC2=O,1,GDB ChEMBL
92864,CCCC1=CCC(C)(C)C1C1CCCC1,0,GDB ChEMBL
140350,CN1CC(C(CO)C(N)=[NH2+])NC1=[NH2+],0,GDB ChEMBL
238594,C#Cc1cc(C#N)c(Cl)c(C)c1CC[NH2+]C,0,GDB ChEMBL
61704,CN1C2C(CS1(=O)=O)C2N(C=O)CCO,0,GDB ChEMBL
9803,C=CCC(OCC)C1CCC2CC21,1,GDB ChEMBL
376966,C#CC(CC)C(C)(O)C1CC1,1,GDB ChEMBL
4906,COCC1(C)C=CC2(CCCC2O)C1,0,GDB ChEMBL
277735,C[NH+]1CCCCOC(C2CC2C=O)C1,0,GDB ChEMBL
383913,C=C(CO)NC(=O)C(C)(CC)C[NH3+],0,GDB ChEMBL
338878,CN(C)CC(=O)O[C-](C=O)C=O,0,GDB ChEMBL
358476,C=C(C)C1OCC[NH2+]CC1NC=O,0,GDB ChEMBL
71721,COCC[NH+]=C(N)C(N)CO,0,GDB ChEMBL
62051,CS(=O)(=O)NCC(OCCO)C(=O)CO,1,GDB ChEMBL
361191,CCC1C=CC(C)C2CCC1C[NH+]2C,0,GDB ChEMBL
114807,NC(=O)CC([NH3+])C1NC1CO,0,GDB ChEMBL
334367,CC(C)(C(N)=O)N(C=[NH2+])CC(=O)[O-],1,GDB ChEMBL
132879,CCCC1C2C[NH2+]C1C(O)C2[NH3+],0,GDB ChEMBL
291472,C#CC1(C)CC1NS(C)(=O)=O,1,GDB ChEMBL
346866,CCC[NH+]1C(C)CC1(C)CO,0,GDB ChEMBL
301420,CCC(c1cn(CC)nc1O)C1CCOC1,0,GDB ChEMBL
127477,CCC(C)C1OC(=O)C(N)C1S(N)(=O)=O,0,GDB ChEMBL
118468,CC(C)[NH2+]C1CN(C)C(=[NH2+])CC(O)(CCO)C1,0,GDB ChEMBL
161079,CCCCCC1CC1C1=CC=CC1,1,GDB ChEMBL
73287,NC(=O)C1N=CN2CCC2C1O,0,GDB ChEMBL
175872,CC(C(O)C(N)C(N)=[NH2+])C1OC1C(=O)[O-],0,GDB ChEMBL
347014,CC1OC1C1C(=O)NC2CC([NH3+])CC21C,0,GDB ChEMBL
13870,C#CCOCCC1CC2CC(O)CC1C(C)O2,0,GDB ChEMBL
104733,Cn1c(C(=O)OCC2C[NH2+]C2)cnc1CO,0,GDB ChEMBL
81511,CC1C[NH2+]CC2N=C(NC2=O)O1,0,GDB ChEMBL
202029,CN(C)C(=[NH2+])C(C#N)C(O)C(N)=O,0,GDB ChEMBL
354060,CN(C)S(=O)(=O)C1C(C(=O)[O-])C1(N)C[NH3+],0,GDB ChEMBL
285546,Cc1ncc(C(N)C#N)c(O)n1,1,GDB ChEMBL
389442,CC(O)C1OC(=N)NS(=O)(=O)CC1CO,0,GDB ChEMBL
325928,CCCCC1C=CCCC1CC(C)C1CC1,0,GDB ChEMBL
382514,CC[NH2+]C1C(C)C(O)CC1(CN)NC(C)=[NH2+],0,GDB ChEMBL
178001,Cc1c(NCCO)csc1C[NH3+],0,GDB ChEMBL
303892,CC1=CCC2(C)CCC(C)(NC2=O)C(O)C1,0,GDB ChEMBL
334078,CC#CCCC(C)C(CC)CC1CC1,0,GDB ChEMBL
273686,O=C1C=CCC(OCCCC2CC2)C1,1,GDB ChEMBL
321775,CC1=CCC2(CC([NH3+])C2)C1O,0,GDB ChEMBL
36189,CCCc1cc(CCCC#N)c(OC)cc1Br,1,GDB ChEMBL
34947,CC1(C)OCC(C#N)C1CC#N,1,GDB ChEMBL
379180,C#CC1OC(C)(C)CCC[NH2+]CC1C(C)C,0,GDB ChEMBL
353576,O=C1CNC(=O)c2scnc2N1,1,GDB ChEMBL
288970,C[NH2+]CC(=O)CC(O)(CO)CNC(N)=[NH2+],0,GDB ChEMBL
170250,CCCC(C)([NH2+]C)c1cc(C)cc(C#N)n1,0,GDB ChEMBL
83087,C[NH2+]C12CC(C)CC1CC([NH3+])C2O,0,GDB ChEMBL
222795,CC(C)CC1C2CC(O)C(C1(C)C)C21CC1,0,GDB ChEMBL
65889,NC(=O)CCN(C=[NH2+])c1cc(=O)o[cH-]1,0,GDB ChEMBL
332487,CCN(C)Cc1nc(C)c2c(c1F)CC(O)C2,0,GDB ChEMBL
84541,CCC(O)c1c(N)sc2c1OCCOC(=O)C2,0,GDB ChEMBL
363143,COCC(C(CC(N)=O)=N[O-])C(O)C=O,0,GDB ChEMBL
131887,CC1(C)CC2(CC[NH+]3CC2C3)NC1=O,0,GDB ChEMBL
132471,CCC1C2C(C[NH3+])CCC[NH+]12,0,GDB ChEMBL
305136,CC1(C(N)=O)OC(=O)C(N)C(O)C1[NH3+],0,GDB ChEMBL
148390,CCCS(=O)(=O)Nc1c(C[NH3+])csc1OC,0,GDB ChEMBL
318343,COC(=O)C(O)C(=O)C1COC1,1,GDB ChEMBL
61951,CC1CCNC(C[NH3+])C1[NH3+],0,GDB ChEMBL
22796,CCC#CC(=O)N(C)C1CCC2COC1C2,1,GDB ChEMBL
10965,CC(=O)NC1C(=O)NC2C1C2S(N)(=O)=O,0,GDB ChEMBL
216207,CC1CC2(C)CCC=CC[NH2+]C1(C)C2,0,GDB ChEMBL
148809,Nc1c([O-])n[nH]c1CNC(=O)CO,0,GDB ChEMBL
91161,CC1CCCC=CC=C1COC1CC=CC1,0,GDB ChEMBL
296607,CC(C)CC1CCCCC1C1(C#N)CC1,0,GDB ChEMBL
76096,Cc1[n-]cnc(CC(N)=O)nc(N)nc1C#N,0,GDB ChEMBL
349518,CC1=CCCC2COC(CC1)C2,0,GDB ChEMBL
360982,COc1ncc(N)coc(C[NH3+])cc1CO,0,GDB ChEMBL
308178,COC1C(O)CC1(CC(C)C(N)=O)C(N)=[NH2+],0,GDB ChEMBL
7799,CC1OCC(CO)(C2CC2)O1,1,GDB ChEMBL
24496,NC(=O)C1NCCNC(=O)OCC1(C[NH3+])C[NH3+],0,GDB ChEMBL
136449,C#CCC(=N[O-])C(C#CC)(C[NH+](C)C)OC,0,GDB ChEMBL
135414,CCC1C(CC)C2C([NH3+])CC3(C)CCCC1C23,0,GDB ChEMBL
207365,Cc1ncc(Cl)c(CO)c1C12CCC(CC1)C2,0,GDB ChEMBL
355780,CC1C(NC(=O)C[NH3+])CC([NH3+])C1O,0,GDB ChEMBL
177850,CC(=[NH2+])N1C=CC(=O)CNCCC1,0,GDB ChEMBL
277460,CC(=O)C(C)(C)C1CC2C=CC[NH+]1CC2,0,GDB ChEMBL
354993,COC1(C)C2CC[NH+](C)C1C2,0,GDB ChEMBL
146959,Cn1c(C(N)=[NH2+])cnc1O,0,GDB ChEMBL
40450,C[NH2+]C1(C)CCC1C(O)CC(O)C(N)=O,0,GDB ChEMBL
361599,CNC(=O)N1C(N)=NCC(=O)C1C(CO)CO,0,GDB ChEMBL
294452,N#CC1(N)COC(C([NH3+])C(N)=O)C1O,0,GDB ChEMBL
207681,CCC#CC(CCOC)CC(N)=O,0,GDB ChEMBL
78342,[NH2+]=C1NC(C(=O)[O-])C2CC1C(=O)N2C(=O)CO,0,GDB ChEMBL
10565,CCOC1C2CC3C(C1O)N3C2,0,GDB ChEMBL
233472,CC1CC(C)C(O)CCc2ccc(c(I)c2)O1,1,GDB ChEMBL
28369,CN1CC([NH3+])C(C(O)C(N)=O)S1(=O)=O,0,GDB ChEMBL
333662,CN1CC(C)(CO)C1C=O,0,GDB ChEMBL
159686,CC(O)(C[NH3+])C(=O)NC1CC(=O)OCC1C#N,0,GDB ChEMBL
39928,CC1C23CC=CC12c1cccc(Cl)c1C3,0,GDB ChEMBL
73850,CC#CCC[NH+](C)CC,1,GDB ChEMBL
133195,CCC1(C)C2CC(c3c(F)ccc(C)c32)C1C,0,GDB ChEMBL
148003,CC(CC[NH3+])NC(N)=NC1(CC#N)COC1,0,GDB ChEMBL
308008,CC1CC=C(C(=O)N2CC2)C[NH2+]1,1,GDB ChEMBL
26466,C#Cc1c(Cl)cc(CC(C)C)c2ccccc12,1,GDB ChEMBL
229472,N#CCCC1(O)C[NH2+]C(COCC(N)=O)C1,0,GDB ChEMBL
320310,OCCCCOCCC(CO)CO,1,GDB ChEMBL
391276,CCC1(CC#N)CC2CC(O)C1C2(C)C[NH3+],0,GDB ChEMBL
216539,CC1CN1C(C#N)C1(C(N)=O)CC1,1,GDB ChEMBL
70105,CCC1CC2[NH2+]CC1C1(CC1)C2C[NH3+],0,GDB ChEMBL
64357,COC(C#N)C1CC(C#N)C(C)(C(N)=O)C1O,0,GDB ChEMBL
144492,CN1CC2([NH3+])C(C(=O)[O-])C2S1(=O)=O,0,GDB ChEMBL
176478,CN1CCOC(=O)C1CCNC(=[NH2+])CCO,0,GDB ChEMBL
29201,CC(=O)OCC1(O)CCC2CCC21C=O,0,GDB ChEMBL
289792,CC1CC2CC(C[NH+](C)C)C3C([NH2+]1)C23,0,GDB ChEMBL
378572,C#CCCCc1cc(N)c2c(c1)OCC2CC,0,GDB ChEMBL
380298,NC1=[NH+]CCC(=O)C(CO)O1,0,GDB ChEMBL
9989,COC1(C(=O)[O-])C(C(N)=O)C1(N)C(N)=[NH2+],0,GDB ChEMBL
130644,Nc1cc[nH+]c(N)c1CO,0,GDB ChEMBL
29024,Cc1c(N)cncc1NC=NCC[NH3+],0,GDB ChEMBL
358108,CN(CC1COCC1(C)[NH3+])C(N)=O,0,GDB ChEMBL
67877,C[NH2+]CC12COC(C1)C(C)=CC2C(N)=O,0,GDB ChEMBL
156556,CCC(C)CC1CC(C)=CC(C)C12CC2,1,GDB ChEMBL
130212,COC1CC(C(C)=O)C2CCC[NH2+]CC1(C)N2,0,GDB ChEMBL
50077,CC(C)C1(C)C2C[NH+](C2)C1CC[NH+](C)C,0,GDB ChEMBL
251952,C#CC(C[NH3+])OC(C)C(C)(O)CCO,0,GDB ChEMBL
359085,C#CC1NCC2CCC[NH+]2C2CC12C,0,GDB ChEMBL
395160,C[NH2+]CC1NC(C)CC2CC(NC1=O)C2[NH3+],0,GDB ChEMBL
209443,CC1(C)[NH2+]CC(O)C1CC=CCO,0,GDB ChEMBL
35308,CCC1=CC(NCC#N)CC=CCC1C=O,0,GDB ChEMBL
15577,Cc1cnc(CC(=O)NC(N)=O)c(C=O)c1Cl,1,GDB ChEMBL
77537,N=C1OCCC(O)CN1C(N)=O,1,GDB ChEMBL
122703,CCC1N2CCC(C)(CC(=O)OC)C1([NH3+])C2,0,GDB ChEMBL
87117,N#CC1C(O)C2C(C[NH3+])CC(=O)N12,0,GDB ChEMBL
380602,CC1CCCCC2[NH2+]CC2C1C,0,GDB ChEMBL
161403,CN1C(=N)NS(=O)(=O)CCNC1=O,0,GDB ChEMBL
132251,CC(CCCC=O)OC(N)=O,1,GDB ChEMBL
156121,CC=CC1C(O)CC(=O)OC1CC,0,GDB ChEMBL
190455,C[NH2+]CC(O)(CO)C(=O)Nc1cc[nH]n1,1,GDB ChEMBL
126358,CCc1nc(O)n(CC)c1N,1,GDB ChEMBL
302598,N=C1CC([NH2+]CC(N)=O)C(O)C(=O)C(=O)N1,0,GDB ChEMBL
251807,Nc1cc2c(c(Cl)c1O)C(=O)CC21CC1,1,GDB ChEMBL
206809,CC1C=CC(O)(C(=O)NCC=O)CC1,1,GDB ChEMBL
190074,COCCCC1[NH2+]CC1C#N,0,GDB ChEMBL
120408,CC=Cc1csc(CC(F)(F)F)c1,1,GDB ChEMBL
309833,Cc1cc(N)nn1C(C[NH3+])CO,1,GDB ChEMBL
159911,CC1C(C(=O)[O-])NS(=O)(=O)C(O)C1O,0,GDB ChEMBL
262254,C#CCc1c(C)c(C(C)C)cc(Br)c1N,1,GDB ChEMBL
349481,CC#CC(C#CC)NCCC(F)(F)F,1,GDB ChEMBL
155812,C#CC([NH3+])CC(O)C1=CCC(CCC)C1,0,GDB ChEMBL
203449,COC1CC(C2CC=C(C#N)C(=O)OC2)C1,0,GDB ChEMBL
104651,NC(=[NH2+])NC1C2CC([NH3+])C1NC(=O)O2,0,GDB ChEMBL
225038,C#CC1CC2C(C#N)C2N1CC,0,GDB ChEMBL
33171,CC1(CO)COC(=O)C1N,0,GDB ChEMBL
261359,CC1CCC2CC(c3cc(Cl)cc(Cl)c3)C12,1,GDB ChEMBL
298066,CCCOc1c[nH]cc1N,1,GDB ChEMBL
34293,COC(=O)NC1C(O)C1CO,0,GDB ChEMBL
352194,C#CC(O)(CCC)CC(N)=O,1,GDB ChEMBL
271620,CC(C)C1C(CO)C1[NH+]1CCCC1C,0,GDB ChEMBL
4962,[NH3+]C1CN2C(C(=O)[O-])CS(=O)(=O)NC3C1C32,0,GDB ChEMBL
56653,CCC1N2C(=O)NC(=O)OC(C)(C)C12C[NH3+],0,GDB ChEMBL
345708,CC12C=CCCC1CC1C[NH2+]C2C1,0,GDB ChEMBL
103403,CC#CC1(C)C[NH2+]C(C)C1CC,0,GDB ChEMBL
366947,CC(C1C([NH3+])C(C(=O)[O-])CN1C)S(N)(=O)=O,0,GDB ChEMBL
346536,CNC(=O)C12C[NH2+]C(C(O)C([NH3+])C1O)C2O,0,GDB ChEMBL
261453,C[NH2+]C1CC2(C)CCCC1C2C,0,GDB ChEMBL
119239,C[NH2+]C(CO)C(C)(OC)C1C(C)C1C[NH3+],0,GDB ChEMBL
103459,CC#CC1(OC)CCCC2(CC2)CC1O,0,GDB ChEMBL
354404,C#CCNc1ccc(CCOC(C)C)cc1Cl,1,GDB ChEMBL
320430,CC12CC(OC(=O)CN)C(C1)C1CC12,1,GDB ChEMBL
333675,[NH3+]CC1NC2CC2S(=O)(=O)NC1C(=O)[O-],0,GDB ChEMBL
5296,C[NH2+]C(CC(C=O)c1ccc(Cl)cn1)C(=O)[O-],1,GDB ChEMBL
260720,CCc1ccc(C2CC2)c2c1C=CCN2C,1,GDB ChEMBL
395181,CC(CC(N)=O)NC(=[NH2+])CO,0,GDB ChEMBL
252908,CCC1(O)CC(O)C2CCC1C2(C)CC,0,GDB ChEMBL
323986,CC(C)C12CC(=O)NC1CO2,0,GDB ChEMBL
98636,C[NH2+]CCC1N(C)C1(C)C,0,GDB ChEMBL
46873,CC(C)C1CCCCCC1(C)C(C)C,0,GDB ChEMBL
205946,O=C([O-])C1CNC(CO)C[NH2+]1,1,GDB ChEMBL
119452,CCC1CC=C2C[NH+](CC(C)C)CCC=C21,0,GDB ChEMBL
76508,O=C1C(O)C(CCO)C2CCC3C2N13,0,GDB ChEMBL
72396,CC1CC12CCCC2C[NH+](C)C,0,GDB ChEMBL
45719,CC[NH+]1CCC(CCC=O)=CCC2(CC2)C1,0,GDB ChEMBL
354150,CC1CC2C(O)C3CC2C1(C)C3,1,GDB ChEMBL
231114,C#CCc1c(CCC)ccc(C(C)OC)c1Br,1,GDB ChEMBL
338556,O=CNC1C2CC(C2)C1NC=O,1,GDB ChEMBL
332407,CCc1c(CC([NH3+])C(O)C[NH+](C)C)noc1N,0,GDB ChEMBL
185284,CCC(C)(C)c1cc(Cl)c2c(c1)C(O)COC2,1,GDB ChEMBL
47550,CC1(C(N)=O)CNC(=O)CC1C=O,0,GDB ChEMBL
63093,CCOC(=O)C1CC1CC[NH3+],0,GDB ChEMBL
263829,CCC(C#N)N(CC=O)C(C)=[NH2+],0,GDB ChEMBL
99868,NC(=[NH2+])C1C(=O)N2CC2C1O,0,GDB ChEMBL
171847,C#CC(C(C)CC)C(CC)C(CC)CCCC,0,GDB ChEMBL
148558,CCn1ccc2c1N(CC#N)CC2=O,1,GDB ChEMBL
115279,CC1OCC(CC(C#N)C#N)=CC1=O,0,GDB ChEMBL
136071,Cc1cc(Cl)cc2c1C(C#N)NC(N)=[NH+]2,0,GDB ChEMBL
112567,CCCc1nn2ccc(Br)nc2c1N,1,GDB ChEMBL
123055,CN1CC([NH3+])(C2CO2)C1C(=O)[O-],0,GDB ChEMBL
174271,CCC(C=O)Nc1nc(N)cc(O)n1,1,GDB ChEMBL
244533,Cc1ccc(C=O)nc1C1CC2CCC1(C)C2,0,GDB ChEMBL
258241,CC(CCC#N)N(C)C(=O)C=O,1,GDB ChEMBL
122929,C[NH+]1CC2CC1CCCC2[NH3+],0,GDB ChEMBL
362847,Nc1ccn2nc([O-])c(S(N)(=O)=O)cc12,0,GDB ChEMBL
322007,CCCc1cncc(OC(C)C(C)C[NH3+])c1I,0,GDB ChEMBL
122920,C[NH2+]CC1(NC(C)C#N)CC=CC1,0,GDB ChEMBL
114401,Cc1ccccc1C1CC(C)(C)CC1(C)C,1,GDB ChEMBL
42283,[NH3+]CC(CNc1ncnc(I)n1)C(=O)[O-],1,GDB ChEMBL
17343,C#CC1=CCCC[NH2+]CC1(CC)CC,0,GDB ChEMBL
238178,NC(=O)C12CCCNC(=O)NC1C2[NH3+],0,GDB ChEMBL
80495,N#CC(C(N)C(=O)[O-])C(O)C([NH3+])CO,0,GDB ChEMBL
284265,C#CCC(O)C1OC1(CO)C(=O)NC(=N)N,0,GDB ChEMBL
81039,C[NH2+]C1CC2OC(=O)C(NC2=O)C2C([NH3+])C12,0,GDB ChEMBL
393546,CCOC1C2C=CCC2[NH+]2CC(C2)C1[NH2+]C,0,GDB ChEMBL
21489,COc1c(C(N)=O)n(C)c2ccc(F)c(=O)n12,0,GDB ChEMBL
96053,[NH3+]C1CCNC(C(O)CO)C(=O)OC1,0,GDB ChEMBL
397056,CC1C=CC(O)C(CC(N)=O)[NH2+]C1C,0,GDB ChEMBL
146934,O=C1NC(=O)C2(CC2)N2CC12,1,GDB ChEMBL
101018,CC1CC[NH2+]CC(O)C2COC(=N1)C(C)(O)C2,0,GDB ChEMBL
17303,CC(CCO)CC1C[NH2+]CC1=O,0,GDB ChEMBL
379724,O=C1CCCCc2c(nn3c2NCCCC3)C1,0,GDB ChEMBL
84272,O=COC1OCC(O)C[NH2+]C1CCO,0,GDB ChEMBL
125556,CCNC(NC=[NH2+])=[NH+]CC1CC(OC)CC1O,0,GDB ChEMBL
102305,COC1CC2OC2(C)C1,1,GDB ChEMBL
63145,CCCCC12CCC(C=C1C)C=C2C,1,GDB ChEMBL
322843,[NH3+]CCc1c(C[NH3+])cc([N+](=O)[O-])nc1O,0,GDB ChEMBL
125573,CC#CCc1cccc2ccc(Br)nc12,1,GDB ChEMBL
378601,CC1C2C3CCCCC(C3)[NH+](C)C12,0,GDB ChEMBL
66192,COCC(O)C(O)C(O)c1cnc(N)s1,1,GDB ChEMBL
358912,NC1=NC2C(O)CC(=O)OC(C1O)C2O,0,GDB ChEMBL
92888,Cc1c(CCC(C)(C)C)cn(CC#N)c1O,1,GDB ChEMBL
397044,[NH3+]CC1C[NH2+]C2COC1C1CC1C2O,0,GDB ChEMBL
394871,COC(C(C)O)C1OC(=O)CNC1(C)C,0,GDB ChEMBL
249548,Cc1c(O)c(F)cc2c1C1C3CCC2C31,1,GDB ChEMBL
300526,CN1C(=O)C(=O)CC1C(C)(C)Cc1cc[nH]c1,0,GDB ChEMBL
234459,CC1OC(=O)C(NCC(N)C#N)C1[NH2+]CCO,0,GDB ChEMBL
18905,CC1(C[NH3+])CC([NH2+]C2CC2)C1,0,GDB ChEMBL
383713,CC1C#CCOCc2cc(F)c(O)cc2N1,1,GDB ChEMBL
43904,NC(=O)c1c(C=O)ccn2ccnc12,1,GDB ChEMBL
37637,C[NH2+]CC1C(=O)C(C)N=C2CN1CCCCN2,0,GDB ChEMBL
277938,CNc1nc(N)nc(C(C[NH3+])C(N)=O)n1,0,GDB ChEMBL
149971,[NH3+]CCC(CO)(CO)NC=O,0,GDB ChEMBL
26019,CC(O)(C[NH3+])CCOC(=N)N1CC(=O)NC1=O,0,GDB ChEMBL
115585,Cc1cc2c(c(=O)[nH]1)C(=O)OC2,1,GDB ChEMBL
228850,O=C1CCC2NC2(CCCS(=O)(=O)[O-])CN1,0,GDB ChEMBL
284344,CC1CCCOC(CO)C1([NH3+])C1CN1,0,GDB ChEMBL
26945,CC1(C(=O)[O-])C[NH+]=C(N)NC(N)=[NH+]1,0,GDB ChEMBL
239110,CN(C)C1=Nc2nc(CO)cc(Cl)c2CO1,1,GDB ChEMBL
222152,CCC(Cc1cc(N)ccc1C)CC(C)C,1,GDB ChEMBL
209827,CCCc1cncc2c(C)noc2cc(C)[nH]1,0,GDB ChEMBL
42290,CC(O)CCCC1[NH2+]C(C)CC12COC2,0,GDB ChEMBL
308296,CCc1c(CC(O)C[NH3+])cc(O)n1C,0,GDB ChEMBL
284305,CC([NH3+])C1C(C(O)C(=O)[O-])N1CC(N)=O,0,GDB ChEMBL
292254,CC1CC(C(N)=O)CC2(C)C3CCC(C3=O)[NH+]12,0,GDB ChEMBL
125652,CCC1(C)C(C)C=CCCC(C)CC1C,0,GDB ChEMBL
382553,CC1OC2CC(O)C(C(=O)[O-])(CC2CC#N)O1,0,GDB ChEMBL
26877,CC1C(C(=O)[O-])[NH2+]C2CC2(O)C1O,0,GDB ChEMBL
194442,[NH3+]C12CC(CO)N(C(=O)C(=O)[O-])C(=O)C1C2,0,GDB ChEMBL
359045,CNc1ccc(C2(C)C=CC(C)C2)c(F)c1,1,GDB ChEMBL
236666,CC12CN1CC(O)C2NC(N)=[NH2+],0,GDB ChEMBL
115924,CC(C)N(C1CC1)C(C#N)(CO)CCO,1,GDB ChEMBL
93463,C[NH+](C)CCC1C2COC12,0,GDB ChEMBL
367753,C#CC(CC(C)(CC)C(C)[NH2+]CCN)[NH+](C)C,0,GDB ChEMBL
345434,C1=CC2(Nc3nccs3)CC(C2)OC1,1,GDB ChEMBL
259689,CCNC(=NC)c1nc(N)nc(N)c1Cl,1,GDB ChEMBL
127177,CC(=O)C1=C(C)CCCC1=O,1,GDB ChEMBL
276311,CC(C)(NC1C(O)C1O)C(N)=O,0,GDB ChEMBL
228496,Cc1cc2c(CC3CCC3)[nH+]ccc2n1C,0,GDB ChEMBL
25133,C[NH2+]CCN1CC(C)(Nc2nn[nH]n2)C1,0,GDB ChEMBL
189999,O=C1OCC2[NH2+]CC(C2O)C2OC12,0,GDB ChEMBL
125595,O=C1CC(O)C(O)(C(=O)[O-])C(O)C(O)C1CO,0,GDB ChEMBL
261177,NC(N)=[NH+]CCC(=O)S(=O)(=O)CCO,0,GDB ChEMBL
210271,CCC1(C)OCC(C=O)C(O)C1C,1,GDB ChEMBL
170416,CCC1(C)CCC2C[NH2+]C(C3CC3)C21,0,GDB ChEMBL
308691,CNC(=O)C1C([NH3+])C2(N)CNS(=O)(=O)C12,0,GDB ChEMBL
352657,CCCC(C)([NH+](C)C)C(C)(C)O,0,GDB ChEMBL
375128,CC1C=CC(C)C(C)OCC=CC1,1,GDB ChEMBL
314176,CC1C(=O)OC2CCN1CC1(O)CC21,0,GDB ChEMBL
151234,CC[NH+]1C2CC(CCO)C(C)C21,0,GDB ChEMBL
160864,C#CC1CNc2c(cc(C)c(O)c2Br)N1,1,GDB ChEMBL
316468,NC(C1OC(=O)[N-]C1=O)C([NH3+])C(O)CO,0,GDB ChEMBL
289987,NC1=[NH+]C(C(O)CC([NH3+])CO)C(C(=O)[O-])N1,0,GDB ChEMBL
309778,CCC#CCCOCC1CCC1,1,GDB ChEMBL
293805,CCCC(C)C(C)n1cc(C#N)c(C#N)c1C,1,GDB ChEMBL
348592,CC1CCc2ccc(CC(F)(F)F)cc2C1,1,GDB ChEMBL
142559,COC1CC([NH3+])CC1(C)C,0,GDB ChEMBL
374040,C#CC1(C)C(CC)C1C(C)CCCCC,1,GDB ChEMBL
101542,CCC1C2CC(C)=CC2CCC1(C)C,0,GDB ChEMBL
132439,Cc1nn(S(C)(=O)=O)c(N)c1CC[NH+](C)C,0,GDB ChEMBL
215333,C#CC#Cc1cc2[nH]c(N)[nH+]c2cc1Cl,0,GDB ChEMBL
141891,CCC(O)(COC=O)C(O)COCC(C)C,1,GDB ChEMBL
304378,Cn1cncc1COC(=O)CNC(N)=[NH2+],1,GDB ChEMBL
31364,NC(=O)CC1C(C(=O)[O-])C1S(N)(=O)=O,0,GDB ChEMBL
182483,OC1CC[NH2+]C1C1COCC2C[NH2+]CC2O1,0,GDB ChEMBL
61814,CCC1(CCC(C)C)CCC(C)(CCC[NH3+])[NH2+]1,0,GDB ChEMBL
245867,C[NH2+]CC1OC(=O)N2CC2C1O,0,GDB ChEMBL
151192,COCC1C([NH3+])CC([NH3+])C2OC12,0,GDB ChEMBL
372222,CNC(=O)OC1COCC1(O)C[NH3+],0,GDB ChEMBL
24004,CC(C)(C)C1(O)C#CCNC(=[NH2+])NCC1,0,GDB ChEMBL
372133,CC(CO)[NH2+]CC(C)C(C)C1(C)CCCC1C,0,GDB ChEMBL
131893,CCC(O)C12CCC1(OC)CCC2CC#N,0,GDB ChEMBL
274916,C[NH2+]CC1(C)CC2C=CC(C)(C1)OC2,0,GDB ChEMBL
345425,C=CCC(CC#N)(CCC)C(=C)C,0,GDB ChEMBL
232110,CC(C(=O)[O-])C1NC(=O)C2[NH+]=C(N)NCCC21,0,GDB ChEMBL
206856,Cc1cncc2sc3ccc(C[NH3+])nc3c12,0,GDB ChEMBL
307491,CC(O)C1CCC([NH3+])C(O)C1C[NH3+],0,GDB ChEMBL
396114,NC(=O)C1OC1CC([NH3+])C(N)C[NH3+],0,GDB ChEMBL
31298,CC(CC#CCCO)C(N)=O,1,GDB ChEMBL
307953,CC(C#CCO)CCC(N)=[NH2+],0,GDB ChEMBL
51402,N#CC(CO)NC(=O)NC=CCO,0,GDB ChEMBL
41591,CCCCCC1CC(C#N)C(C)(C)CC1(C)C,1,GDB ChEMBL
189879,NC(=O)Cc1coc(C2CC=CC2)n1,1,GDB ChEMBL
79633,CNC(=O)C12C([NH3+])CC([NH3+])C1C2O,0,GDB ChEMBL
103472,CC1=CCCC2C1C(C)C[NH+]2C,0,GDB ChEMBL
162529,C=C1CC(C)C2(C)C(O)CC(C)C12,1,GDB ChEMBL
93744,CC(C)OC(C)(C)C[NH2+]C1CC2CC1C[NH+]2C,0,GDB ChEMBL
299144,C=C(CC(C)(C)O)C(CC(N)=O)=NO,0,GDB ChEMBL
202529,C#CC(c1cc(Cl)ccc1CC)C(C)(C)C#C,0,GDB ChEMBL
288590,O=C1NCCCC2(C=CC13CO3)CC2,0,GDB ChEMBL
365753,CC(=O)NC(C(=O)C=O)C1C(O)C1C(=O)[O-],0,GDB ChEMBL
70801,N#CC12CCCC([NH3+])CC1(C(=O)[O-])N2,0,GDB ChEMBL
51361,CCOC1(C(=O)[O-])CCC(CC=O)C1C(C)O,0,GDB ChEMBL
61811,O=Cc1ccc2c(n1)CC=CC2,1,GDB ChEMBL
213996,O=C1CC2OCC2(C(=O)[O-])C1,0,GDB ChEMBL
271376,C#CCC1CCCC1OC(C)(C#C)C(F)(F)F,0,GDB ChEMBL
203203,CN1CC(O)C(c2cnsc2N)CC1=O,0,GDB ChEMBL
381452,COC1C[NH+](C)CCC2C(=O)C(=O)CC2C1O,0,GDB ChEMBL
392764,COC(=O)NCCNc1nccc([O-])c(=O)n1,0,GDB ChEMBL
118825,CCC(CC1C2CCCC1CC2)[NH+](CC)CC,0,GDB ChEMBL
315217,C[NH2+]C1CC(C)C(C)(C)C(C(C)C(C)C)C1,0,GDB ChEMBL
130484,CCCC1C(C(=O)C(C)C)CC1(C)C,0,GDB ChEMBL
311322,Cn1nc(O)nc1C(C[NH3+])NCC1CC1,0,GDB ChEMBL
227926,CCCOCC(C)C(C)O,1,GDB ChEMBL
186735,CC1C[NH+](C)C2CC([NH3+])COC12C,0,GDB ChEMBL
234388,[NH3+]CCC1=Cc2c(cnn2CC[NH3+])CC1,0,GDB ChEMBL
305090,CC1C(O)CC[NH2+]C12COCC2N,0,GDB ChEMBL
215378,C#CC[NH+]1CC2=CCCC2C1,0,GDB ChEMBL
240779,N#CCC(C(N)=O)C1CN1,1,GDB ChEMBL
163416,[NH2+]=C1NCCC(=O)N2CC12C(=O)[O-],0,GDB ChEMBL
260145,CC1C=CC(C)CC2(CC=CC=CC2)C1,1,GDB ChEMBL
348000,Cc1cccc(OC(C)CO)c1Br,1,GDB ChEMBL
141858,C[NH2+]CCCC(N)=[NH+]CCC=O,0,GDB ChEMBL
65924,CC(=O)CC1C[NH2+]CCC(O)(C#N)C1O,0,GDB ChEMBL
296637,CC(C)C1CC2NC(C[NH2+]1)C(C=O)N(C)C2C,0,GDB ChEMBL
267373,COC(CCC1(C)CC1)C(OC)C(C)O,1,GDB ChEMBL
193808,CNC(=O)OCCC([NH3+])C1C=CCC1(C)[NH3+],0,GDB ChEMBL
371725,O=C1OC2(CC[NH2+]CC2)Cn2nnnc21,0,GDB ChEMBL
120406,CC[NH2+]C1C=CCc2ccc(C[NH3+])c(F)c21,0,GDB ChEMBL
377973,CCc1nc(I)cc(NCCOC)n1,1,GDB ChEMBL
118350,CCC12CCC([NH3+])CC(C(C)C1)C(C)(C)CC2,0,GDB ChEMBL
105965,CCC1(CCC[NH3+])CCC(C#N)(NC)C1C,0,GDB ChEMBL
326443,CCC[NH+]=C(NC)C(N)(CO)C(=O)[O-],0,GDB ChEMBL
97070,CCCc1cccc2c1CCC(CC)(CC)C2,1,GDB ChEMBL
308310,CC1CC23CC(C)[NH+](C2)C(C3)C1C,0,GDB ChEMBL
202012,CCc1cnc(C2CC2)cc1Br,1,GDB ChEMBL
130355,CC(=O)C1CC12NC(C(N)=O)C(O)C2C#N,0,GDB ChEMBL
51015,CCC(C)N1CC(C=O)=C(NC)C1=O,0,GDB ChEMBL
344290,N#CC1N(CC[NH3+])C(=O)C2C([NH3+])C21O,0,GDB ChEMBL
80213,C[NH2+]CC1OC(C)OC(=O)C2OC1CC2[NH3+],0,GDB ChEMBL
210997,C#CCC1=[NH+]C(CC(C)C)CC(C)(C)N1,0,GDB ChEMBL
124893,CCC(CC)CC(C)CCCC(C)(CC)CC,1,GDB ChEMBL
35464,CC(O)C(N)(C[NH3+])C(=O)NCC#N,0,GDB ChEMBL
115963,C[NH2+]CC(O)CC12COC(C1)C2,0,GDB ChEMBL
174031,C#CCC1CCCCC1(C)C1CC1(C)[NH3+],0,GDB ChEMBL
345488,N#CC12CC([NH3+])C(C1O)N(CC(=O)[O-])C2,0,GDB ChEMBL
121993,CC(CO)C1(C(N)=O)C[NH+]=C(N(C)C)O1,0,GDB ChEMBL
124832,C[NH+]1CC(CC([NH3+])C(O)C(N)=O)C1,0,GDB ChEMBL
146933,CC(CO)C[NH+](C)CC1(C)OCCC1C,0,GDB ChEMBL
152507,COC1(C)CC2CCCC(C)(C1)C(C)C2,0,GDB ChEMBL
44327,CCOC1CC=C(C)C2CCC1C2(C)O,0,GDB ChEMBL
317306,[NH3+]CC1C(O)CC(CO)N2CC12,0,GDB ChEMBL
320780,CN(C(N)=O)C1=NCCC1(O)CO,0,GDB ChEMBL
275464,C[NH+]=C1NC(CO)C(C(O)C(O)C(O)C[NH3+])N1,0,GDB ChEMBL
336009,CCC=CC1C2C[NH2+]CC1C1CC21,0,GDB ChEMBL
156495,CCC12CC(O)CC1CCC(CC[NH3+])O2,0,GDB ChEMBL
305114,CC[NH2+]C(C)c1cc(N)n(CC[NH3+])c(=O)n1,0,GDB ChEMBL
194259,CC[NH2+]C1(CO)CC(C(N)=O)OC2CC21,0,GDB ChEMBL
227626,CN=C1CN(C)C(C)CO1,1,GDB ChEMBL
331524,CC(CO)C1C(N)CC2(C)CCC[NH+]12,0,GDB ChEMBL
379727,CN1C2C(O)CC(=NO)C(C(N)=O)C21C#N,0,GDB ChEMBL
163890,CC(O)C1C(CC#N)C=C2CCCC21,0,GDB ChEMBL
315214,O=C1NC(CO)Cc2[n-]ncc(=O)c21,0,GDB ChEMBL
390144,CCC1CC23CCC1C2C3CC[NH3+],0,GDB ChEMBL
339282,C[NH2+]CC1C(C)C1C1OCCC1[NH3+],0,GDB ChEMBL
73857,CCC1COC(C)CNCC(=O)C(O)C1[NH2+]C,0,GDB ChEMBL
235680,CC(CO)CC1(CO)CC1,1,GDB ChEMBL
133328,NC(=O)C1NC(c2scnc2O)C(O)C1C[NH3+],0,GDB ChEMBL
79295,C[NH2+]C(C)Cc1c[nH]c(N)c1,0,GDB ChEMBL
275573,CC1CC2(C)C(CCC[NH3+])C2(C)CC1C,0,GDB ChEMBL
67624,CC(C)Cc1occ(N(C)C(C)C)c1C#N,1,GDB ChEMBL
244329,N=C(N)C(=O)NCC(O)COC=O,1,GDB ChEMBL
130194,CC1(C)C2CC3CC1C([NH2+]2)C3O,0,GDB ChEMBL
362805,Cc1ncsc1CC1=CC(=O)C=CCCN1,0,GDB ChEMBL
67325,NC(=O)C1CC2NC(=O)C(N)C2(O)C1O,0,GDB ChEMBL
259330,N#CC1CC(N)C([NH3+])CC1CO,0,GDB ChEMBL
376988,C#CC1CNC(=O)C(C)C(=[NH2+])N(C)CCOC1,0,GDB ChEMBL
249819,CC1(C([NH3+])CO)OC(=O)NCC(O)C(=O)O1,0,GDB ChEMBL
299140,CCC(C=O)C1(NCC(N)=O)CC(O)CC1=O,0,GDB ChEMBL
116395,CCC1CC2CCCC(C)(C(C)C1)C2C,0,GDB ChEMBL
310757,C#CC(C)CC(O)CCC[NH+]=CN(C)CC,0,GDB ChEMBL
75402,CC1CC(CC[NH3+])C[NH+]=CN1,0,GDB ChEMBL
143814,CC([NH3+])C(=O)NC1(C(N)=[NH2+])CC(O)CC1O,0,GDB ChEMBL
6082,CCCC1=CC2CC(C2)C(O)(C(=O)[O-])C1,0,GDB ChEMBL
248872,C[NH2+]CCc1ccccc1C(C)COC(C)C,0,GDB ChEMBL
300680,CCCC1CCC2CC(C1C(C)C)C(C)(C)C2,0,GDB ChEMBL
112476,CNC(=O)OCC(N)C[NH+]=CN,0,GDB ChEMBL
331710,[NH3+]C1C2OCC(C(=O)[O-])(C2O)C1C(=O)[O-],0,GDB ChEMBL
225201,[NH3+]C1CC(O)C2CNC(=O)C12c1cncs1,0,GDB ChEMBL
243938,COCC1CCC(C)(O)C1,1,GDB ChEMBL
168455,CC#CC(CC(C)C)CC(C)(C)CCCC,0,GDB ChEMBL
328881,C#CCCN1CC=CCCCC1=O,1,GDB ChEMBL
44372,COC(C(C)C(C)O)C1CC1C[NH3+],0,GDB ChEMBL
190308,CC1C([NH3+])C(=O)NC1C1N=C(N)NC1=O,0,GDB ChEMBL
118704,COCCc1cc(Br)c(Br)c(Br)c1C(C)C[NH3+],0,GDB ChEMBL
236010,C#Cc1cc(Cl)c(N2CC2)c(CO)c1,1,GDB ChEMBL
839,Fc1cccc(C2CC=CC2)c1F,1,GDB ChEMBL
124802,C[NH+]1CC(CO)CC12C(N)C2O,0,GDB ChEMBL
118899,CNc1cc(C2=CC3CC2C3C)ccc1Cl,1,GDB ChEMBL
36207,CCC1C2C3CC[NH2+]C(C3)C(C)C12,0,GDB ChEMBL
387196,CNc1cncc(NC(C)=O)cc(N)sc1,0,GDB ChEMBL
29962,CC[NH2+]CC1C2(C)CCOC(C2)C1(C)C,0,GDB ChEMBL
286177,CC(C)OCCC1OCC1CO,0,GDB ChEMBL
302327,CCC1(C)C[NH+](C)CCN=C(N)OC1C[NH3+],0,GDB ChEMBL
201713,COCC1(C(N)=[NH2+])CC1CCO,0,GDB ChEMBL
257547,CCC1CC(O)CNC(=[NH+]C)N1,0,GDB ChEMBL
390528,CCCC1CNc2c(C)[nH+]c(N)cc(=N)c21,0,GDB ChEMBL
18332,CCCC([NH2+]C(C)C(C)C)C1CC1C,0,GDB ChEMBL
296418,CC1C(O)CC(C)(C)OCCC12CO2,0,GDB ChEMBL
26793,NC(=O)NCC(O)C1OCC1=NO,0,GDB ChEMBL
318112,CC(=[NH2+])N(C(N)=[NH2+])C1CC(C)C1,0,GDB ChEMBL
203428,N#CCC(N)C1C([NH3+])C(O)CNS1(=O)=O,0,GDB ChEMBL
141808,CCCNC1=[NH+]C(S(N)(=O)=O)C(CO)N1,0,GDB ChEMBL
280329,CC1OC(=O)NC(=N)NC1C(N)=O,1,GDB ChEMBL
45944,CC1CC2(C)CC3COCC3CC1[NH+](C)C2C,0,GDB ChEMBL
62001,O=CN1C(C(=O)C(=O)[O-])C1C(O)CO,0,GDB ChEMBL
341865,C#CC1(C)C[NH+](C)C(C)CCC1O,0,GDB ChEMBL
184477,C[NH+]=C(N)C(CC(=[NH2+])NCCO)OCCOC,0,GDB ChEMBL
230468,CCC1C[NH+](C)C2C(N)C=C(C#N)C12,0,GDB ChEMBL
119625,CC1=CC=Cc2cc(O)c(cc2Cl)C#CC1,1,GDB ChEMBL
222925,C#CCC#CCc1c(C)ccc(Cl)c1N,1,GDB ChEMBL
11034,N=C(N)N1C(=O)C(O)CC([NH3+])C1CCC(N)=O,0,GDB ChEMBL
76439,[NH3+]CC1OC(CCO)C1C(=O)[O-],0,GDB ChEMBL
321950,Cc1csc(CN2CC2(C=O)CO)c1,1,GDB ChEMBL
304632,CC=CC1CC2C(CC([NH3+])C2O)O1,0,GDB ChEMBL
332329,COC1CC(O)C2OCC([NH3+])C12,0,GDB ChEMBL
109191,C1CC23C[NH2+]C(CN1C2)C3,0,GDB ChEMBL
84985,NC(=O)C1C=CC(=NO)CC1O,1,GDB ChEMBL
103500,COC1COC2CC(C)C(O)C1O2,0,GDB ChEMBL
33577,CC12OC(CO)C3NC(=O)C1C32,0,GDB ChEMBL
126634,[NH3+]C1CCCCOC(=O)C1,1,GDB ChEMBL
209734,NC(=O)NC1C=CN(C(=O)CO)C1=O,0,GDB ChEMBL
48100,CC1C=CC2CC(C)(C#N)NC2C[NH+]1C,0,GDB ChEMBL
349501,CC1C[NH2+]C2CC(C[NH3+])(C1)C2,0,GDB ChEMBL
278253,COCC1NC(=O)CC(O)C1[NH3+],0,GDB ChEMBL
398944,CC(O)C1C(=O)N2CC2C1(N)C#N,1,GDB ChEMBL
185291,C#CCCC1CN(C=O)C2CCCC1C2O,0,GDB ChEMBL
221386,CC1C(O)CC2OC(=[NH2+])NC21,0,GDB ChEMBL
278862,C#CC1(CC2C[NH2+]C2)CNC(=O)O1,0,GDB ChEMBL
22849,CC[NH2+]C(CC1([NH3+])CC=CC1)C1CC1C,0,GDB ChEMBL
62584,NC(=O)c1c(CO)c(C[NH3+])n2c1C1CC2C1,0,GDB ChEMBL
217047,CC1C2C[NH2+]CC(C#N)(C(=O)[O-])C1NC(=[NH2+])O2,0,GDB ChEMBL
44988,COCC1(O)CC1(C)C(O)CO,0,GDB ChEMBL
366593,Nc1ccc2[nH+]ccn2c1Cl,0,GDB ChEMBL
349458,C[NH2+]C1CCOC1C(C)(C)C,1,GDB ChEMBL
189869,C[NH+]1CCOC2(C[NH3+])CC1C2CO,0,GDB ChEMBL
176463,C#CCOC(C[NH3+])C[NH3+],0,GDB ChEMBL
4870,COCCNC(=N)NC=O,1,GDB ChEMBL
309620,CCCC(C)OCC1CCC1,1,GDB ChEMBL
40384,C=CC1C=CCCC(C)CC1CC,0,GDB ChEMBL
288687,Cn1nc(N)cc1CC1(CO)OC1C(N)=O,0,GDB ChEMBL
236688,C#CCN(C)c1cc2c3c(c1)COC3CC2,1,GDB ChEMBL
97223,CC[NH+](CCC(C)C)C1CC(C)C(C)C1,0,GDB ChEMBL
211010,CCC1CC=C2C[NH2+]C(C)CC21,0,GDB ChEMBL
89122,CCC(C)CC1CC2CCC([NH2+]1)C2O,0,GDB ChEMBL
375170,C[NH+]1CCC2C3CC3C1C2CO,0,GDB ChEMBL
71252,CC1=C2CC(C)CC2C(=O)N1,0,GDB ChEMBL
42573,[NH3+]CCC1[NH2+]CC2CC(CO2)C1O,0,GDB ChEMBL
299580,CC1=CC[NH2+]CC2(CCC2)C1,0,GDB ChEMBL
191388,CCC(C)CCc1cc(F)c(C)c(F)c1,1,GDB ChEMBL
4778,CC1C2OC(=O)C1C(C)(O)C2[NH3+],0,GDB ChEMBL
19602,O=C1CC2C(CC3C[NH2+]CC32)N1,0,GDB ChEMBL
362674,CC[NH2+]C(C)C1(C(C)C)C(C)CCC1C(C)C,0,GDB ChEMBL
374193,CCCCC1CC12C[NH+](C)C2,0,GDB ChEMBL
228437,C#CC1C2CCC[NH+]1CC2CC,0,GDB ChEMBL
134449,Cc1noc(CN)n1,1,GDB ChEMBL
87530,CC1=CC=CC(C)c2cc(F)ccc2CC1,0,GDB ChEMBL
105097,CC12CC3CNC(=O)C1([NH2+]3)C2O,0,GDB ChEMBL
371723,NC(=O)C1C(O)C(N)C([NH3+])C1O,0,GDB ChEMBL
277813,CCCCC(C)CC1CC1(C)C(F)(F)F,0,GDB ChEMBL
255978,CC(O)CN1CC1CC1CC=CC1,1,GDB ChEMBL
276145,OC12CC1[NH+]1CCC[NH2+]CC2C1,0,GDB ChEMBL
58987,C[NH2+]CC1C(O)C1(C#N)C(N)=O,0,GDB ChEMBL
320263,CC(CC12CN1C(N)=[NH+]C2CO)C(=O)[O-],0,GDB ChEMBL
43958,N#CC1CC(N)(C[NH2+]CCO)C1,0,GDB ChEMBL
379682,CC1CC(C[NH3+])=CCCC1C(C)(C)C,0,GDB ChEMBL
214029,COC1(C[NH3+])CC2OC(=O)C1C2[NH3+],0,GDB ChEMBL
336077,CCCC#CC(C#CCOC)CC1CCC1,0,GDB ChEMBL
304639,NC(=[NH2+])CC(N)(CO)C(O)CNC(=O)CO,0,GDB ChEMBL
354994,CC1OC(=O)C2C1C(O)CNS2(=O)=O,0,GDB ChEMBL
263174,C#CC1=CC(CC(C)=O)C(C(C)O)CC1,0,GDB ChEMBL
15557,Cc1cccc2c1OCC=CS(=O)(=O)N2,0,GDB ChEMBL
289813,CCC(=O)OCCC(C)(O)COCC[NH3+],0,GDB ChEMBL
133177,CC1(C)CC2C(=O)NCC3(CO3)C2C(=O)O1,0,GDB ChEMBL
209833,O=C1CC(O)C2C3C(N1)C3NS2(=O)=O,0,GDB ChEMBL
59237,C[NH2+]CC(=O)C1C(C)C1CO,0,GDB ChEMBL
392532,CC=Cc1cccc(C(C)C)c1F,1,GDB ChEMBL
89091,CC[NH+](C)CC1(O)C2COC21,0,GDB ChEMBL
130394,CC1CC2CCC1C(C)C(O)C2(C)C,0,GDB ChEMBL
70091,COC1(CCO)CNS(=O)(=O)CC(=O)O1,1,GDB ChEMBL
41058,CC1C2=CCCCOC(=O)NC(C2)C[NH+]1C,0,GDB ChEMBL
34742,CC(=O)C=CN(C)C1COC(C)C1,1,GDB ChEMBL
115604,N#CC1C(O)CNC2C(=O)OC21,0,GDB ChEMBL
101052,CCC(C(C)C)C1CCC2C(C)CCCC2C1,0,GDB ChEMBL
20727,CCOCCC([NH3+])(CC)CC,1,GDB ChEMBL
251863,CN(C)C(=O)C1=CCCCC#CC=C1,0,GDB ChEMBL
44084,CC[NH2+]CC1CC(CC)OC(OC)C(=O)CO1,0,GDB ChEMBL
48190,CCCC[NH2+]C(CC)C(=O)[O-],1,GDB ChEMBL
252291,COC(C)C1(C(N)=[NH2+])CCCCC1,0,GDB ChEMBL
263978,CN1CCC2(CNc3cc(I)ccc3C2)C1=O,1,GDB ChEMBL
79364,CCCCc1noc2cc(N)cc(F)c12,1,GDB ChEMBL
120859,C=CC1(CCC)COC(=O)CC1=O,1,GDB ChEMBL
351182,NC(=O)C12CCOCC1CNC(=[NH2+])O2,0,GDB ChEMBL
308720,CCC1C2C[NH+](C)C(CC1(C)CC)C2C,0,GDB ChEMBL
149421,O=C1CC=CCOC(=O)C12CC2,1,GDB ChEMBL
33576,C#CCc1cc(O)cc(Cl)c1,1,GDB ChEMBL
130581,CCC1([NH2+]CCO)CCC1C,0,GDB ChEMBL
315197,CCC1COC(CC)CC2C(C)C2C1,1,GDB ChEMBL
120876,CCC1(C(N)=O)CN(C(C)(C#N)C#N)CC[NH2+]1,0,GDB ChEMBL
124554,CC(=O)C1CCNC(=O)C1=NO,1,GDB ChEMBL
309207,CCC(C)(C1=CC=CC1)C(F)(F)F,1,GDB ChEMBL
104484,C=C1CNC(=[NH2+])N1C(C)C(C)OC,0,GDB ChEMBL
143773,CC1CCCC(CN=COCCO)([NH+](C)C)C1,0,GDB ChEMBL
352720,O=C1Cn2nnnc2C(=O)OCCCN1,1,GDB ChEMBL
273464,NC1=[NH+]CCC1(N)C(C[NH3+])N1CCCC1CO,0,GDB ChEMBL
218773,COC1C(C)CCCC(C)=CC2(C)CC12,0,GDB ChEMBL
277737,CC[NH+](C)C1CC(C)=CC([NH2+]C)C1,0,GDB ChEMBL
307935,CCN1C(=O)NCCC(=O)C(CC#N)C1C=O,0,GDB ChEMBL
368188,C[NH2+]C1CC2C(C)C1OC(C)(C)C2C[NH3+],0,GDB ChEMBL
398857,CCC([NH2+]C)C1(c2cccc(Cl)c2)CO1,0,GDB ChEMBL
40406,CCCC([NH3+])CC(=O)N1CC1,1,GDB ChEMBL
219546,COc1nc(C(=O)N(C)CC=O)cc(Cl)c1N,1,GDB ChEMBL
121094,COC1COC(=O)C1NC(N)=O,1,GDB ChEMBL
69619,OCC[NH2+]CC1(O)CC(CO)C(OCCO)C1,0,GDB ChEMBL
190424,CNC(C#N)(CS(=O)(=O)[O-])C1CC1,0,GDB ChEMBL
54099,Nc1cc(F)c(O)c(F)c1,1,GDB ChEMBL
219533,CNC(=O)C1(CC[NH3+])NC1(C)C,0,GDB ChEMBL
304108,CC(C)C1=CCC(O)C(C)C1(C#N)CC[NH3+],0,GDB ChEMBL
127875,CCc1cc(C(C)(C)C)c(C)c(C(C)[NH3+])c1F,0,GDB ChEMBL
203199,COC1C2C[NH2+]CCCC(O)C1(C(N)=O)O2,0,GDB ChEMBL
151126,COCC1C2C[NH2+]C(C(C)C)(C2)C1CC(C)C,0,GDB ChEMBL
331495,COC(CC1CC(C)C2C=CC[NH+]12)C1CN1,0,GDB ChEMBL
382556,Cc1cc(N)n2c1CNC(=O)NC(=O)C2,0,GDB ChEMBL
13856,C#CC1(OC)C2CCCOC1C(CC[NH3+])C2O,0,GDB ChEMBL
58495,CCOC(=O)C1NCC(O)Cn2c1nsc2=O,0,GDB ChEMBL
386574,O=CN(CCCO)C1=CCCC1,1,GDB ChEMBL
27908,Cc1nc(=O)c(NC(=O)CO)nc(=N)[nH]1,0,GDB ChEMBL
292195,N#CCC(NC(=O)CCO)C(N)=[NH2+],0,GDB ChEMBL
296588,CC1=CCCC[NH2+]CC1O,0,GDB ChEMBL
41155,CCC1C(C)C=C2CCC(C)CCC21C,0,GDB ChEMBL
20790,C#CC(O)(C#C)CC(CCC)[NH2+]C1(C)CC1,0,GDB ChEMBL
3956,[NH3+]CC1OCC2C3NC(=O)C1C23,0,GDB ChEMBL
207925,CCC1CC(CC)C2CC(C(C)C)CCCC12,0,GDB ChEMBL
135786,CC(C)CCCC1CC(C)(C(C)[NH3+])C1,0,GDB ChEMBL
252712,CC1(C)CCC=CC(=O)CCCOCC1,1,GDB ChEMBL
337205,O=C([O-])C1(C(=O)[O-])CCOc2cc(Br)cnc21,0,GDB ChEMBL
319342,NS(=O)(=O)CCCCCn1nccc1[O-],0,GDB ChEMBL
181735,CC1CN(S(C)(=O)=O)C(=N)C1O,1,GDB ChEMBL
81485,CCCC1(C[NH2+]C(C)COC)CC[NH+]=C(N)C1,0,GDB ChEMBL
247486,CCN(C)C(C(N)=O)C1([NH2+]C)C(C)CC1O,0,GDB ChEMBL
93764,NC(=[NH2+])NCCC12C=CC([NH3+])(C(=O)[O-])C1C2,0,GDB ChEMBL
61913,CC(N)(C(N)=O)C1NC(=[NH2+])CC1O,0,GDB ChEMBL
97139,CNC1=[NH+]CCC=C(C)C1CO,0,GDB ChEMBL
311362,C#CC(C#Cc1c(C)ccc(Br)c1N)[NH2+]C,0,GDB ChEMBL
64315,Cc1cn(CC2C(=O)C=CC2C)nn1,1,GDB ChEMBL
62782,O=C([O-])C1OCC1[NH2+]CCO,0,GDB ChEMBL
24759,CC1=CCOC(C)C[NH2+]C(CN)C=CC1,0,GDB ChEMBL
178064,CC(CC1(NC(N)=O)COC1)=NO,0,GDB ChEMBL
135775,CC1(NC=O)CC[NH2+]CCC(O)C([NH3+])COC1,0,GDB ChEMBL
235699,C[NH2+]CCC(C)(C)N=C(N)S(C)(=O)=O,0,GDB ChEMBL
87050,N#CC(O)C1(O)C(CC(N)=O)C1NC(N)=O,0,GDB ChEMBL
358183,CC12CC(O)(CC(=O)[N-]S(=O)(=O)C1)C(=O)O2,0,GDB ChEMBL
169111,CC([NH+]=C(N)N)(C(N)=O)C(N)CC#N,0,GDB ChEMBL
140833,C#CC1CC(C(C)(C(C)=O)C(C)=O)CCN1C,0,GDB ChEMBL
34888,CN1CC2C3COC2C1C(=O)N3,0,GDB ChEMBL
137393,O=C1CCCC2C=CC[NH2+]C12,0,GDB ChEMBL
85673,CCC1(OC)CCC=CCCC1,1,GDB ChEMBL
257431,Cc1cc(C)c2c(n1)CC(=O)NCCC2,1,GDB ChEMBL
274614,CC[NH2+]C(CO)C(OCC(N)=O)C(=O)NC=O,0,GDB ChEMBL
298039,CC([NH3+])C(C)CN(C)C=O,1,GDB ChEMBL
34372,[NH3+]C1(CO)COS(=O)(=O)[N-]C(=O)C1,0,GDB ChEMBL
140342,CC1C(O)CC(N)C(=O)[N-]S1(=O)=O,0,GDB ChEMBL
234401,NC(=O)CCC1C(C=O)C[NH2+]CC1NC(N)=O,0,GDB ChEMBL
53885,C=CCC1C(C(C)NC(N)=O)N1C,0,GDB ChEMBL
324263,CCOC1C(=O)C(C)CC(N(C)C=O)CC1O,0,GDB ChEMBL
95520,NS(=O)(=O)OCCC1=CC(=O)CCN1,0,GDB ChEMBL
54840,NC(=O)n1c([NH+]=C(N)N)c2ccccn2c1=O,0,GDB ChEMBL
127893,CCNC(=O)c1cc(=O)snn1,0,GDB ChEMBL
1451,CCCC(C(C)C)C1CCCCC([NH3+])C1(C)C,0,GDB ChEMBL
317296,N=C(Nc1cc(O)ncn1)S(N)(=O)=O,1,GDB ChEMBL
294497,CC(CC1[NH+](C)CC2OCC21N)C(N)=O,0,GDB ChEMBL
69637,CC1=CCC(CCC[NH3+])C2(C=CCC2C)C1,0,GDB ChEMBL
131856,C[NH+]1CC(CCC2([NH3+])CCC2)C(C)(C)C1,0,GDB ChEMBL
61748,C[NH2+]CC(O)(CC#N)C(N)C(O)C([NH3+])CO,0,GDB ChEMBL
22794,C#CCC1(COCC)CCC(C#N)N1,0,GDB ChEMBL
11715,CC=C(C)CCC=C1CCC([NH3+])C1,0,GDB ChEMBL
252883,CCC[NH2+]Cc1cnc(C)[nH]1,0,GDB ChEMBL
334666,CC1=Cc2cccc(CC(C)C)c2C1,1,GDB ChEMBL
280018,CC(OC1CC=CC1)C([NH3+])CCC[NH3+],0,GDB ChEMBL
228825,CC1C2CCC1(C)[NH+](C)CCC[NH2+]C2,0,GDB ChEMBL
259446,CC12C(O)C(C(N)=O)C3CC(C#N)N1C32,0,GDB ChEMBL
200576,C#Cc1cnc(Cl)cc1O,1,GDB ChEMBL
190808,CC1=CC2[NH2+]CCC3CC(C)CC1(C)C32,0,GDB ChEMBL
274841,CC1=CCOCC[NH+](C)CC12OC2C,0,GDB ChEMBL
16740,C#CC1=CC2C(O)C3CC3C2C[NH+](C)CC1,0,GDB ChEMBL
252104,NC(=[NH2+])CC(CO)C1C(O)CCN1C(=O)C=O,0,GDB ChEMBL
168459,Cc1oc(=O)cnc1CC1CC1,0,GDB ChEMBL
193319,C#CC1CC(C)CCC(C)C1C(C)CCCC,0,GDB ChEMBL
29237,C#CC1(C(=O)[O-])CCC2CC[NH+](C2)C1CCC,0,GDB ChEMBL
81423,CC[NH+](CC)CC1C2CC1CC(C)(O)C2,0,GDB ChEMBL
258710,COC1CC2C3CCC(O3)C2CCOC1=O,0,GDB ChEMBL
259153,CNC(=O)C(OC=N)C(=O)NCC#N,0,GDB ChEMBL
350701,C#CC1(NC)C=CCC(C[NH3+])OC1=O,0,GDB ChEMBL
265269,CNC(=O)C(=O)[C-]1C(=O)OC(C)(C)C2CC12,0,GDB ChEMBL
278180,CCC1(C#N)CC[NH+](C)C(C2(C=O)CC2)C1,0,GDB ChEMBL
127699,Cn1ncc2c1CC[NH2+]CCO2,0,GDB ChEMBL
223559,CNCC1C[NH2+]CC2CC(CC(=[NH2+])N1)NC2=O,0,GDB ChEMBL
196490,NC(=[NH2+])Nc1ccsc1N,0,GDB ChEMBL
284763,CC1(O)CC(C2CCCO2)C2(O)CC1C2,0,GDB ChEMBL
363164,CC(O)C(N)C(C#N)CNc1ccsc1,0,GDB ChEMBL
37602,NC(=O)C1C(CCCC[NH3+])CC([NH3+])C(O)C1O,0,GDB ChEMBL
186759,NC(=[NH2+])Nc1n[nH]cc1CO,0,GDB ChEMBL
379246,CN1CCC(O)(COC(N)=O)C(N)CNC1=[NH2+],0,GDB ChEMBL
29022,CC(NC(C)Cc1c[nH+]ccc1N)=[NH+]C(C)C,0,GDB ChEMBL
230372,CCOC(=N)COCCCCN1CCC([NH3+])C1,0,GDB ChEMBL
225168,N#CC(N)=NC(CO)C(=O)C(=O)[O-],0,GDB ChEMBL
114990,CC(C)C1CC(C)C(C(C)C)O1,1,GDB ChEMBL
353574,CC1C2CC(Cc3ccccc32)CC2CC21,0,GDB ChEMBL
366554,CC([NH3+])(C(=O)[O-])C(N)C(C#N)CO,0,GDB ChEMBL
125683,C#CC1[NH2+]C2(CCC(O)CC2C)CC1N,0,GDB ChEMBL
358174,CC(C)C1(C)CCOC(c2ccno2)C1,0,GDB ChEMBL
225025,[NH3+]CCc1c(O)ncnc1CC(O)C(=O)[O-],0,GDB ChEMBL
299990,COC(=O)C1OCCOCC1(C#N)C=N[O-],0,GDB ChEMBL
100747,C#Cc1ccc(CC)c(C(C#C)CC(C)C)c1,1,GDB ChEMBL
48185,NC(=O)C(=O)C1CC2C[NH2+]C2C1,0,GDB ChEMBL
297028,CC(=O)OC1(C)CC1(N)C(C)C#N,0,GDB ChEMBL
274368,CCC1C(=O)NCC1C1CC1[NH3+],0,GDB ChEMBL
280323,COC1C(C)C2CCCC2(C#N)C1C,0,GDB ChEMBL
363807,CC(C)(C)C([NH3+])c1nc(O)c(CO)cc1Cl,1,GDB ChEMBL
236617,NC(=O)C12C[NH2+]C(C1)C1C(C(=O)[O-])N12,0,GDB ChEMBL
380584,CC1=CC(C(F)(F)F)Cc2ccccc21,1,GDB ChEMBL
33505,CNC(=O)C1C(C)(O)C12CC[NH+]=C(N)N2,0,GDB ChEMBL
193298,CC1CC2(O)CNC2(C2CCC[NH+]2C)C1,0,GDB ChEMBL
297276,C#CC1=C(C)CCCCC1CCCC,0,GDB ChEMBL
393514,CC(O)(C[NH3+])C([NH3+])C1OCCOC(CO)C1O,0,GDB ChEMBL
108124,CCCC#CC(C)(C=O)CO,1,GDB ChEMBL
350685,C#CC(C)(OC)C1CC(C)(CCCC)C1,1,GDB ChEMBL
362633,O=C1CNCC2Cn3cncc3C(=O)NC2C1,0,GDB ChEMBL
263530,CCCC1C2CCCC2C(C2CC2)C1CC,0,GDB ChEMBL
257497,N#CC12C3CC(CNC3=O)NC1C2O,0,GDB ChEMBL
48025,CCC1CCc2cc(F)c(CO)cc21,1,GDB ChEMBL
268121,CC1OCCCC1n1cncc1C(=O)CO,0,GDB ChEMBL
379196,CC1CC2CN2C(C#N)CCC1=O,0,GDB ChEMBL
356537,CCC(C)CC(C)C1(OC)CC(C)[NH2+]C1C,0,GDB ChEMBL
277419,CC(O)C(O)CC1OCCC1(C#N)C#N,0,GDB ChEMBL
141697,C[NH2+]C1CCCC(O)CC1(C)C,0,GDB ChEMBL
318562,CCC1(C(N)=O)CC2=CCC=C2C1,0,GDB ChEMBL
118696,CCC#Cc1cc(O)cc(Br)n1,1,GDB ChEMBL
235502,CC1OC1(C(=O)[O-])C(=O)NC=O,1,GDB ChEMBL
204374,CCCOC1C(=O)C=C(C(C)C)C1C#N,1,GDB ChEMBL
263215,C[NH2+]C1COC1CCC(CO)OC,0,GDB ChEMBL
242989,C#CC1C[NH2+]CCC1(C)CCCC[NH2+]C(C)C,0,GDB ChEMBL
34790,C=CCC(C)C(CCC)CCCC,1,GDB ChEMBL
32024,C1CC2CC3[NH2+]CC(C1)C3[NH2+]2,0,GDB ChEMBL
73853,CCc1ccc(Br)c2c1CC1[NH2+]CCC1(C)C2,0,GDB ChEMBL
323142,C#Cc1c(CC)cc(=O)n2cccc2c1C,0,GDB ChEMBL
184078,C#CC1C(C)[NH2+]CCC(C)(C)C1C(C)CC,0,GDB ChEMBL
66195,CCCCC(CCC)C(C)CC(CC)CCC,0,GDB ChEMBL
79265,CC12CC(C[NH3+])CC(C1)C1CCCC12,0,GDB ChEMBL
204399,CCCC1(CCC)C2CCC=CC(C)CC21,0,GDB ChEMBL
283422,CCC(C[NH3+])NCC(=CN)C(=O)[O-],0,GDB ChEMBL
51060,COCC1C2C(O)C([NH3+])CCN12,0,GDB ChEMBL
330798,CCC1C2CC(CO)C(C)[NH2+]C12,0,GDB ChEMBL
205751,NC(=[NH2+])NC(=[NH2+])NCCC(N)=O,0,GDB ChEMBL
136158,C#CC[NH+](C)CCCC#CC,1,GDB ChEMBL
374370,CCCC(C)(C)C1CCC(C)=CC(C)C1,0,GDB ChEMBL
363810,Cn1c(CN)nc(NCC[NH3+])nc1=O,0,GDB ChEMBL
326476,CCc1cc(C)cnc1C1(C)CN1,0,GDB ChEMBL
221662,CC[NH+]1C2CCC1C13CC1CCOCC3C2,0,GDB ChEMBL
290567,CCCCc1ccc2c(c1)C(C)C1(C)CC21,1,GDB ChEMBL
350248,C#CC(CO)C(C)(C)CC(=O)NC,0,GDB ChEMBL
169045,C=CC1CC(OCCC)CC1C=C,1,GDB ChEMBL
90329,C#CCC1CCCC=C(C)CC(C)CC1,0,GDB ChEMBL
83097,CCCC(C1CC1C)C1(C(C)C)CC1,0,GDB ChEMBL
302295,CC12CCCCC=CCC1C[NH+]=C2N,0,GDB ChEMBL
24262,CC1(O)CC2(CCC2)OCC1NS(C)(=O)=O,0,GDB ChEMBL
34789,CN1CCC(=O)NC2(S(N)(=O)=O)C(O)C12,0,GDB ChEMBL
115770,CCC1CN=C(CC(OC)C2CC2)O1,1,GDB ChEMBL
308150,CCC1=CC[NH2+]CCC(=O)C=C1,0,GDB ChEMBL
179135,C=C(C(=O)[O-])C1CCc2ccsc21,0,GDB ChEMBL
136077,CCC1(C[NH2+]C)OC2CC(O)C1C1CC[NH2+]C21,0,GDB ChEMBL
134464,CCCC(CC(C)=O)OCC(CCC)C(C)C,1,GDB ChEMBL
140785,CCC1=C(C)CCCOCCC1CO,0,GDB ChEMBL
354079,CC1(C#N)CCC(OC(=O)C(O)C(N)=O)C1=O,1,GDB ChEMBL
276028,C[NH2+]CC(=O)NC1=CCC=CCC(C)C1,0,GDB ChEMBL
186580,C[NH2+]CC1N=C(N)NC(=O)CC1(O)C=O,0,GDB ChEMBL
312871,CCC1(CC)CC(=O)C1COC,1,GDB ChEMBL
286272,C#CCN1C=CC2(CC2)CC1=O,0,GDB ChEMBL
53287,CCC(C)(O)C(O)C([NH3+])COS(N)(=O)=O,0,GDB ChEMBL
204671,N=C1NC(=N)N(C(N)=O)CC(=O)N1,1,GDB ChEMBL
26984,NC(=O)OC(C[NH3+])C1CNC(=O)O1,0,GDB ChEMBL
346538,C#CCC(CC)CC1CC2CCC1C2,1,GDB ChEMBL
259574,Cc1c(F)cc(F)cc1CC1(C)CC=CC1,1,GDB ChEMBL
165921,Cc1cc(OCCC#N)cs1,1,GDB ChEMBL
45957,C#CCCC(C1CC1)C(O)C(C)[NH3+],0,GDB ChEMBL
21449,CC(C)CC1C([NH3+])CCC(O)(CC#N)CC1O,0,GDB ChEMBL
289438,C#CC1CCCC(c2ccc(Cl)nc2)C(C)C1,0,GDB ChEMBL
17486,CC1C2CC23CCC(C3)[NH+]1C,0,GDB ChEMBL
53285,CC1=CC(=O)C(C)(C)CC=C1,1,GDB ChEMBL
83502,COCC(C)C(C)CC1(NC=O)COC1,0,GDB ChEMBL
341341,CCOc1ccc(CC(C)(C)C(C)C)cc1I,1,GDB ChEMBL
149410,CN1CC(O)C(N)C(=O)OCC1=O,1,GDB ChEMBL
319806,N#CC12CCC(=O)N1C1C[NH2+]CC12,0,GDB ChEMBL
85019,CCC12CC([NH3+])C1OC(=NCCC(=O)[O-])N2,0,GDB ChEMBL
305238,COC1=NCC([NH+]=C(N)N)CC(=O)N1,0,GDB ChEMBL
352712,Nc1ncc(CCO)c(O)c1C(=O)[O-],0,GDB ChEMBL
10620,CC(C[NH3+])C(C)C(N)C(F)(F)F,0,GDB ChEMBL
85869,C[NH2+]C1CC(C(C)[NH3+])CC1O,0,GDB ChEMBL
203236,CC(C)Nc1ccc(N(C)C2CCC2)cn1,1,GDB ChEMBL
322838,CNC(=O)C(OC(C)=O)C(C)C1COCCO1,0,GDB ChEMBL
235499,C1=CC2CC1CC2CCCC1CC1,1,GDB ChEMBL
379850,CC#CC1CC=CC(O)C1,1,GDB ChEMBL
256142,COC12C[NH2+]C(CC[NH3+])C1C2,0,GDB ChEMBL
159905,CC1CN(C=O)CC2(CCc3cccn3C2)O1,1,GDB ChEMBL
230472,NC(=O)NC12C[NH2+]C(CC(CCO)C1O)C2,0,GDB ChEMBL
292933,CCC1CCC2CC([NH3+])C(CC2[NH3+])O1,0,GDB ChEMBL
151235,CCCC1CCC23CC2CC[NH+]1C3,0,GDB ChEMBL
334605,CC#CC(C)(CC)C(C)[NH2+]C,0,GDB ChEMBL
179143,CC([NH3+])C(=O)NCC[NH+]=C(N)COC(N)=O,0,GDB ChEMBL
330359,O=C1OC2C(=O)C1C(O)CC2O,0,GDB ChEMBL
118469,CCC(O)C1C[NH+]2CCC3CC(N1)C32,0,GDB ChEMBL
115402,CC#CC(C)(CN1CC1C)C(=O)NC,1,GDB ChEMBL
95906,COC(=O)C1=CN(C(C)C(=O)[O-])CC1[NH3+],0,GDB ChEMBL
383985,CCC1C(C(COC)COC)C1(C)C,0,GDB ChEMBL
283954,CC1OCC=CCC1CCC#N,1,GDB ChEMBL
120553,NC1C(O)C[NH2+]C12CC2CS(N)(=O)=O,0,GDB ChEMBL
79327,CC12CCC(CO)C(CC[NH3+])(C1)OC2=O,0,GDB ChEMBL
284696,CC1=C2C=CCCCCC[NH+](C1)C2C,0,GDB ChEMBL
394924,CCCc1cc(F)nc(C[NH3+])c1N,0,GDB ChEMBL
50320,CCC[NH+]1C2CC3C(OC)C2CC31,0,GDB ChEMBL
263836,C#CC1CC(C(CC)CCC[NH3+])N(C)C(=[NH2+])N1,0,GDB ChEMBL
375722,Cc1ccc(CC[NH2+]CCC(C)CC=O)cc1,0,GDB ChEMBL
194262,CCC1CC(C)C(CC(C)(C)CC(C)(C)C)C1,1,GDB ChEMBL
334798,CCCC1COC(C)(CC(=O)CC)C(C)(C)C1,0,GDB ChEMBL
53871,C=CC(C)(C=C(C)C)CC1C[NH2+]C1,0,GDB ChEMBL
210227,N#CC(O)CNC(CO)CNC(=[NH2+])NC(N)=[NH2+],0,GDB ChEMBL
129446,C[NH2+]C1CC2(C)C(C1CO)[NH+](C)CC(C)N2C,0,GDB ChEMBL
257427,CNC(=O)OCC(=O)C1CC(C(N)=O)C(=N)O1,0,GDB ChEMBL
156214,CN(C)C(=O)OCC(=N)OC1COC1,1,GDB ChEMBL
271316,CCCCC(O)C(C)C12CC([NH3+])CC1C2,0,GDB ChEMBL
362369,CC1=CC2c3c(F)cccc3CC23C(C)C13,0,GDB ChEMBL
296058,CN(C(N)=O)C(CO)c1cn[nH]c1[O-],0,GDB ChEMBL
227611,CC([NH3+])CCC1=CCNC(=O)C(=N)OC1,0,GDB ChEMBL
26979,CCCCC(O)CC1(OC)CC(C=O)N(C)C1,0,GDB ChEMBL
17637,CC1CCCC2(C[NH3+])C=CC=CC12,0,GDB ChEMBL
343205,CC1OC(c2cc(F)cnc2C#N)C1C#N,1,GDB ChEMBL
112413,CCc1ccnc(C)c1CNC(N)=[NH2+],0,GDB ChEMBL
60985,N#Cc1ccc(OC(CO)CO)ncc1=N,0,GDB ChEMBL
118866,N#CC(n1cncn1)C1(C(=O)[O-])CO1,0,GDB ChEMBL
197091,CN=COc1c(C)ccc(Cl)c1OC(C)(C)C,1,GDB ChEMBL
184118,CC1=CCCC(C)CC(O)C(C)CCC1,1,GDB ChEMBL
188479,CC1(O)C2COC3CC[NH2+]C2CC31,0,GDB ChEMBL
370247,CN1C(=O)OC(C)(CCC#N)C1=O,1,GDB ChEMBL
78278,CCCC12CCC(CC1)C(CC)C(CC)OC2,0,GDB ChEMBL
161983,CC1OC1C(O)Cc1ccc(Br)cn1,1,GDB ChEMBL
47759,CCC1C2CC(C)C3C1COCC23,0,GDB ChEMBL
95477,OCC1OC2OC1C1OC(CO)C2O1,0,GDB ChEMBL
248271,C1=CCCC2CC2CC2CC2CCC1,0,GDB ChEMBL
29623,NC1CC(=[NH2+])N2CC(O)CC12,0,GDB ChEMBL
117429,C#CC1C(C)CC2NC(=O)C(C)OC21,0,GDB ChEMBL
170450,CCc1[nH+]c(N)c(C(C)CC(C)C)c(N)c1F,0,GDB ChEMBL
258324,CC1[NH2+]C2COC3(C(=O)[O-])C1C23,0,GDB ChEMBL
203488,C[NH2+]C1CC1(COC)NC(=[NH2+])OCCO,0,GDB ChEMBL
276270,C#CCC(C#C)C(C)(CCO)OC,0,GDB ChEMBL
195450,CCC1C[NH+]=C(N)C=C(NS(C)(=O)=O)CN1,0,GDB ChEMBL
301157,CC[NH2+]C1(C(C)(C)C)C2CCC[NH2+]CCC21,0,GDB ChEMBL
314905,CCCC(CC(O)(CC)CC(C)=O)[NH+]=CNC,0,GDB ChEMBL
40342,Cc1c[nH]c2c1CC(C(=O)[O-])OC2,0,GDB ChEMBL
265500,CS(=O)(=O)N1CC(C=O)C=CC(C(=O)[O-])C1,0,GDB ChEMBL
2376,Cc1c(CC(C)C)c(Br)cn2cccc12,1,GDB ChEMBL
334441,[NH3+]C1CC(=O)NC(=O)NC1C1CCC1O,0,GDB ChEMBL
48052,NC(=O)c1scnc1NC(=O)C(=O)[O-],1,GDB ChEMBL
41135,N#CC1CC2(CCC2)c2cc(I)ccc21,1,GDB ChEMBL
127623,CC(=O)OC1CC(CO)C(C)C12CC2,1,GDB ChEMBL
274260,CC[NH+]1CC(O)C2C([NH3+])C(CCO)C21C,0,GDB ChEMBL
277398,N#CCNC(CO)C1COC1S(N)(=O)=O,0,GDB ChEMBL
202814,CC(=O)N(C)C(C)(C)C(C)C,1,GDB ChEMBL
397907,C#CCCCCn1nnc(C)n1,1,GDB ChEMBL
141903,CC(CO)C(O)C1=NC(C(N)=O)C(O)CCO1,0,GDB ChEMBL
340547,[NH2+]=C(COC=O)NC(CC[NH3+])C(O)CO,0,GDB ChEMBL
392503,CC1CCCC=Cc2cc(c(Br)cc2N)N1,1,GDB ChEMBL
205967,CC12CC(C[NH2+]1)C(C[NH3+])N(C(C[NH3+])CO)C2,0,GDB ChEMBL
170455,C#CC12CC([NH+](C)CCO1)C2(C)C,0,GDB ChEMBL
6134,Cc1nc(O)c2[nH]c(=O)sc2cc(CO)cs1,0,GDB ChEMBL
283262,Cc1cc(Oc2c(Cl)ccc3cc[nH]c23)n[nH]1,1,GDB ChEMBL
177270,CCC1=CCCC1CCCCC1CC1,1,GDB ChEMBL
172727,COCCC1C2C[NH2+]CC1N(C=O)C2,0,GDB ChEMBL
98661,CC(C)C1(C)CCCCC(C)(C)CCCC1,0,GDB ChEMBL
372657,CCCCCCC1C(CC)CC2C(C)CC21,0,GDB ChEMBL
259078,CCCC(C)(C)CC(C)(C)CC#CC[NH2+]C,0,GDB ChEMBL
352873,CCCCC(C1=CCCC1)C(F)(F)F,0,GDB ChEMBL
49109,O=C1CC(CO)CC2CC(CCO1)O2,0,GDB ChEMBL
68471,CNC(=O)Cn1c([O-])nc(=O)[nH]c1=O,0,GDB ChEMBL
172337,C#CC(C)CCCC(=O)CC(CO)[NH2+]CC,1,GDB ChEMBL
299180,CC1([NH3+])CC2C(NC(N)=O)CC1C2O,0,GDB ChEMBL
334018,C#CC1C2CCCC2C(C)(CC)C1(C)O,1,GDB ChEMBL
387056,C[NH2+]C(C)(C)CC(=O)CC(=O)NC1CC1,0,GDB ChEMBL
135391,COC1C[NH2+]CCC(C)CC1c1cnsc1,0,GDB ChEMBL
300685,C#CC1=CC(C(N)=O)OC(CC(=O)OC)C1,0,GDB ChEMBL
362866,NC(=O)CCCN=COC(=O)NC=O,1,GDB ChEMBL
368406,C#CC[NH+]1CCC(C)C2C(C)C2C1,0,GDB ChEMBL
143800,CNC(=O)C1N2CCC(O)(C2)C1(O)C(C)O,0,GDB ChEMBL
195253,Clc1cncc2c1CC#CCC=CC2,1,GDB ChEMBL
266203,C#Cc1ccc(Cl)c2c1CCCCN2C,1,GDB ChEMBL
345394,N#CCCCC(C[NH3+])OC(C[NH3+])CCO,0,GDB ChEMBL
71289,CC1(N)CC1[NH2+]CC(=O)[O-],0,GDB ChEMBL
235002,CC(O)C1C(=O)C=CC1C1CC1,1,GDB ChEMBL
119453,Cc1cc(C)c(C#N)c(C)c1F,1,GDB ChEMBL
121980,CC1C(O)C2CC1(C)C1CCCC21,0,GDB ChEMBL
120699,CCC1(C)CC2(C)CCC(CC2)CC1C(C)C,0,GDB ChEMBL
94748,COC(=O)CNc1occ(CNC(N)=[NH2+])c1[O-],0,GDB ChEMBL
102158,Cc1cc(Cl)ccc1CCCC(=[NH2+])N(C)C=N,0,GDB ChEMBL
269334,CC1CCCC2=C(CCCCCC2)C1,0,GDB ChEMBL
177860,C[NH2+]C1C(=O)C2CC2CNS(=O)(=O)CC1O,0,GDB ChEMBL
290141,C[NH+](C)CC1OC2C[NH2+]C(C2)C1C1OCCO1,0,GDB ChEMBL
244506,C1=CCCC2C[NH2+]CCC(=C1)C2,0,GDB ChEMBL
171851,CCOc1ccnc2cc(C=O)[nH]c12,1,GDB ChEMBL
389106,CC(C[NH2+]CC=O)C1CC1,1,GDB ChEMBL
76810,Cn1ncc(=O)c2[nH]cc(C(N)=O)c21,1,GDB ChEMBL
131630,CCCCC1(C2CC[NH2+]C2)C=C(CC)CC1,0,GDB ChEMBL
333927,CCC(=NCC#N)N1C=[NH+]CCCCCCC1,0,GDB ChEMBL
345709,C#Cc1c(CCO)c(O)c(C)c2n[nH]c(C)c12,0,GDB ChEMBL
47523,CC1C(O)C2OCC1C2[NH3+],0,GDB ChEMBL
382165,CCC1C(=O)CC2OC21C,1,GDB ChEMBL
200948,CCCC([NH3+])(C(N)=O)C1=CC2CC1CO2,0,GDB ChEMBL
45094,[NH3+]CC1C2CNC(=O)C(C2)NC2C[NH2+]CC21,0,GDB ChEMBL
259648,CC(=O)Nc1nc(N)nc(I)n1,1,GDB ChEMBL
69638,CCC(C(=O)[O-])C1C(=N)N(C)S(=O)(=O)C1C,0,GDB ChEMBL
279256,NC(CCC[NH3+])=[NH+]CCc1cnncn1,0,GDB ChEMBL
48134,C[NH2+]C1CC(O)C2(CC#N)C(C)C12N,0,GDB ChEMBL
339953,CC[NH2+]C1(CC2CCC2)CCCC1,0,GDB ChEMBL
76981,Cc1cc(F)cc2c1C1C=CC(C2)C1[NH3+],0,GDB ChEMBL
282232,CC1OC(C([NH3+])C(N)=O)CC1[NH3+],0,GDB ChEMBL
179311,C#Cc1cc(F)c2nc3ccccc3n2c1,1,GDB ChEMBL
121729,[NH3+]CCc1c([O-])noc1CC(=O)[O-],0,GDB ChEMBL
106005,COC(CNC=[NH2+])C([NH3+])C(=O)[O-],0,GDB ChEMBL
366602,CC1CC2C[NH+]1C1C=CCC2CC1,0,GDB ChEMBL
262242,CC(=O)C1CC(O)CCCC=CC1O,1,GDB ChEMBL
181517,C=CCC(CC[NH2+]C)CCC1CC1,0,GDB ChEMBL
254974,CCCC=C1CC2CC1C(C)(O)C2,1,GDB ChEMBL
351147,N=C1CCCCCOCCN=CNC(=O)N1,1,GDB ChEMBL
317137,C[NH+]1CCN(CC[NH3+])C2CCC(C2)C1,0,GDB ChEMBL
238544,Cc1nc2n(c(=O)n1)CC(=O)N2C(C)CC#N,1,GDB ChEMBL
18374,CCCC(C)[NH+]1C(C)C=CC1CN,0,GDB ChEMBL
98837,CC1C([NH3+])C(OC(N)=O)C(CO)C1O,0,GDB ChEMBL
89645,COC1CCC(NC(C)(C)C)(C(N)=[NH2+])C(O)C1,0,GDB ChEMBL
292709,C#CCC(CC)C(C)c1cccc(CC)c1Cl,1,GDB ChEMBL
71679,COCC1C(C[NH3+])CC2CC1C1CCC2[NH2+]1,0,GDB ChEMBL
330559,CCC1C2CCC2(C=O)CN1C(N)=[NH2+],0,GDB ChEMBL
331191,NC(=O)C1C(C(=O)[O-])OC2CC21,0,GDB ChEMBL
174037,CCCc1scc(C(C)(C)[NH2+]C)c1C(C)OC,0,GDB ChEMBL
238164,C=C1COC(CC)CCC1C(C)C,0,GDB ChEMBL
29978,C[NH2+]C1C(O)CC(=O)OC(C)C2(C)C[NH2+]CC12,0,GDB ChEMBL
393513,CCC(C[NH3+])C1CC=CC1OC,0,GDB ChEMBL
116636,CCC#CC1(CCOC)CO1,1,GDB ChEMBL
230756,CC(=O)N(C(N)=O)C1CCNS1(=O)=O,0,GDB ChEMBL
243377,CC(=NO)C1(CC#N)C(=O)NCCC1(C)O,0,GDB ChEMBL
215340,CC(C(O)CO)[NH+](C)CC(O)C(N)C#N,0,GDB ChEMBL
372728,COC(C[NH3+])C(CC[NH3+])C12CC[NH+](C)C1C2,0,GDB ChEMBL
280308,CCC1=CC(CC([NH3+])COC)C(C)(C)C1,0,GDB ChEMBL
79558,CC(C)C1(O)CC2CCC([NH3+])C2C1,0,GDB ChEMBL
291899,CC(C)C1CCC12CC(=O)NCC(CO)O2,0,GDB ChEMBL
283962,COCC1(C)CC2OC2C1C(C)[NH3+],0,GDB ChEMBL
284385,O=CCCc1cc(I)ccc1N1CC1,1,GDB ChEMBL
73814,Cc1cc2c(n1C)C(C)CC2[NH3+],0,GDB ChEMBL
300436,COCC1CC1C(C)C1CC1C(C)C,0,GDB ChEMBL
17571,CC1OC(=NCC(=O)N(C)C)C1C,1,GDB ChEMBL
210206,CCC(CNC(=O)S(N)(=O)=O)OC,0,GDB ChEMBL
393564,CC1CC(=O)OC12CC2C#N,0,GDB ChEMBL
383944,CCC1C2NCC(O)C([NH3+])C1C2C#N,0,GDB ChEMBL
298044,Nc1ccc2sc(O)nc2c1,1,GDB ChEMBL
259119,CCCC1(C)CC(OC)C(C)C(C)C1C,1,GDB ChEMBL
379129,C#CC(OCCC(C)C1C[NH2+]1)C(C)O,0,GDB ChEMBL
315245,CC(CO)(NC1=NCCO1)C(=O)[O-],0,GDB ChEMBL
240034,CC1[NH2+]C2CCC1(C1(C)CCC[NH+]1C)C(=O)C2,0,GDB ChEMBL
85068,CCCC1CC=CCC(C)CC(C[NH3+])C1,0,GDB ChEMBL
11391,COC1C2CC[NH2+]CC(O)C1[NH+]=CN2,0,GDB ChEMBL
43562,Cc1noc(N(CC[NH3+])C(=O)N2CC2)c1C,1,GDB ChEMBL
151825,CCCC1CC(=C2CC(CC#N)N(C)C2)C1,0,GDB ChEMBL
29809,CC(O)CCOCCCOCC[NH3+],0,GDB ChEMBL
186024,CC1CCCCCOCC2(CC2)C1O,0,GDB ChEMBL
246800,CCC12CC(C)C(=O)N(C)CC1C2[NH3+],0,GDB ChEMBL
42287,CC(CC[NH3+])c1coc(=O)n1CCCO,0,GDB ChEMBL
21711,CC([NH3+])C1CN(C(=O)NC(=N)N)C1=N,0,GDB ChEMBL
121775,O=CCn1nnc(CCC(=O)[O-])n1,1,GDB ChEMBL
246974,C[NH2+]Cc1cccc(CC2COCC2(C)O)c1,0,GDB ChEMBL
235967,NC(=O)Cn1ncc2c1C=CCNS2(=O)=O,1,GDB ChEMBL
190534,CC12C=CC(O1)C(C)(CNCC(F)(F)F)C2,1,GDB ChEMBL
6007,C#CCOc1cnc(C(C)CO)c(I)c1O,1,GDB ChEMBL
34736,Cc1ccc(C2CC3CC2C3)c(C)c1,1,GDB ChEMBL
115936,CC[NH2+]C1C(C)C2OCC3CCN3C1C2C,0,GDB ChEMBL
222123,CC1=CCN(C(N)=NC(C)C=O)C1=O,1,GDB ChEMBL
305067,N#CC12COC1C(O)C(O)CN2C(N)=[NH2+],0,GDB ChEMBL
127633,CC1CC2CC=CCC(O)C(O)C2C1,0,GDB ChEMBL
50085,C#CC([NH2+]C)C1=CC(=O)C(CC)OC1,0,GDB ChEMBL
239129,CN(C(=O)CC(N)=O)C(=O)NC(=O)CN,1,GDB ChEMBL
235496,C[NH2+]CCC([NH3+])C1C(O)C1C(C)C#N,0,GDB ChEMBL
193790,CN1CCNC(=[NH2+])C(C=O)(CC(N)=O)C1=O,0,GDB ChEMBL
174016,O=CC(CO)[NH2+]CCCCO,1,GDB ChEMBL
124290,CC(C[NH3+])COCC([NH3+])(C(=O)[O-])C1CC1O,0,GDB ChEMBL
76714,COC1C2CCCC(OC2)C2C(C(C)O)C12,0,GDB ChEMBL
308097,NC(=O)c1cc(I)c(CNCC[NH3+])c(=O)[nH]1,0,GDB ChEMBL
274972,CC(=O)NC1(CO)CC([NH3+])C2OC1CC2[NH3+],0,GDB ChEMBL
281150,O=C1CC(CO)(Oc2ccnc(O)n2)CN1,1,GDB ChEMBL
37638,CC(=O)OC12C=C(CC=O)CN(CCC1)C2,0,GDB ChEMBL
204684,CC1C2CC(C)(C)C1CCCC1CCC2CC1,0,GDB ChEMBL
190075,NC(=[NH2+])NC1C2OC(C[NH3+])C1NC2=O,0,GDB ChEMBL
148375,CC(O)CN1CC2(CC2[NH3+])C1,0,GDB ChEMBL
288676,C[NH2+]CC1N(C=O)CC1(C)CO,0,GDB ChEMBL
254858,C#CC(C)c1ccnn1C(C)C,1,GDB ChEMBL
217094,CC([NH3+])CS(=O)(=O)[N-]C(=O)NCC#N,0,GDB ChEMBL
225450,CC1CC1c1cc(NC=O)nn1CC[NH3+],0,GDB ChEMBL
243734,CCCC[NH+]=C(CO)N(C)CC1C[NH+]=C(N)C1,0,GDB ChEMBL
294760,CC1COC(C(C)([NH3+])CO)C1,0,GDB ChEMBL
358958,COCC1COCC#CCC(C)(C)C[NH2+]1,0,GDB ChEMBL
304037,NC(=[NH2+])C(O)CCNc1ccon1,0,GDB ChEMBL
380318,CC(C)CC(C)C(C)C1OC(C)CC1C,1,GDB ChEMBL
181678,CC1(CC#N)CCCC(C#N)[N-]C(=O)CC1[NH3+],0,GDB ChEMBL
382111,CC1CCC(c2cccc(Cl)c2)C1(C)C,1,GDB ChEMBL
131892,CCCC1CC2CCC(C)(C1)[NH+]2CC(C)=O,0,GDB ChEMBL
111508,Cc1nc(=O)[nH]c(C)c1NCC(C)O,1,GDB ChEMBL
51866,C#CC(C)(C)C#CCCc1cccc(Br)c1,1,GDB ChEMBL
199467,CC(Cc1nnnc(N)n1)C([NH3+])C(N)=O,0,GDB ChEMBL
234423,C[NH2+]C(CO)C1C(O)C(C)NC(=N)N1C(N)=O,0,GDB ChEMBL
325699,OCC1[NH2+]CC2(CO)OC2C1O,0,GDB ChEMBL
38894,CCCC(=[NH+]C)N(C)CCC=O,0,GDB ChEMBL
24545,CC1[NH2+]CC1([N-]S(C)(=O)=O)C(=O)C(N)=O,0,GDB ChEMBL
309829,Clc1ccnc2c1CCCC1(CC1)N2,1,GDB ChEMBL
172790,CC1OC(C[NH3+])C(C[NH3+])NCCC1C(O)C[NH3+],0,GDB ChEMBL
64045,CCC1CC(O)C2C([NH+](C)CC)C2(C)O1,0,GDB ChEMBL
274237,CC1CC=C2CC[NH2+]CCCC3OC213,0,GDB ChEMBL
263991,C[NH2+]CCn1cncc1NC=O,0,GDB ChEMBL
274642,N#CC1CCC2CCC(C2)[NH2+]C1C1CCC1,0,GDB ChEMBL
142942,C#CCC1CCC(C)C(CC)(OC)C(C)CC1,0,GDB ChEMBL
87087,CCc1c(C#N)c[nH]ccc(O)nc1O,0,GDB ChEMBL
358551,CC(=O)NC12CCC(C1O)C2C([NH3+])CO,0,GDB ChEMBL
217088,C=CCc1ccc(Br)cc1COC,1,GDB ChEMBL
171858,CCC1=CC2C=Cc3c(F)cccc3C2C1,0,GDB ChEMBL
83016,CCN(c1cnc(Cl)nc1)C1(CC)CC1,1,GDB ChEMBL
206784,CCOC(=O)C(C#N)(C=O)C[NH+]=CN(C)C,0,GDB ChEMBL
271363,CCCNc1c(O)c(Cl)cc(CCO)c1CC,1,GDB ChEMBL
372075,CCOC1CC2CC([NH3+])C2CN(C)CC1[NH3+],0,GDB ChEMBL
115221,[NH3+]Cc1cn(C2C([NH3+])CCC2[NH3+])nn1,0,GDB ChEMBL
213979,COC1C(=O)NC2(COC2CO)C1C,0,GDB ChEMBL
107859,Cc1cnc(NC2C[NH2+]CC2CO)o1,1,GDB ChEMBL
191313,CC1[NH2+]CCC(C)(CO)CC([NH3+])C1C,0,GDB ChEMBL
278189,CCC1(O)CC2CCCC1C(C)[NH2+]CC2,0,GDB ChEMBL
336059,C#CC12Cc3ccccc3N1C2,0,GDB ChEMBL
1471,CC(C)(C)CC(=O)C1CCC1,1,GDB ChEMBL
148862,NC(=O)Cn1ccc(N)c1[NH3+],0,GDB ChEMBL
192606,CC(C[NH2+]CC(=O)[O-])N1C(=N)NC(CO)C1=O,0,GDB ChEMBL
19397,CCCC1(C)CC2CCCC1C(CC)C2,0,GDB ChEMBL
274610,CCOCC1CC(CCC2CC2)CCC1C,0,GDB ChEMBL
76421,C#CC(OC)c1cc(Br)ccn1,1,GDB ChEMBL
315227,CC(=O)c1c(C)cc2c3c1CC=C3CCC2,1,GDB ChEMBL
122726,CCC1C(C)C1C1(C)CC(C)[NH+](C)C1,0,GDB ChEMBL
151053,CC[NH2+]C(C(N)=O)C(C)S(=O)(=O)[O-],0,GDB ChEMBL
124195,CC12CCCC(C1)C1CC2CO1,0,GDB ChEMBL
234451,O=C1CC2CCC3C(N1)C3[NH2+]2,0,GDB ChEMBL
354630,CCC1CC=Cc2c(C)ccc(Cl)c21,1,GDB ChEMBL
288432,CC1C(O)C(n2ccnc2)C1(O)CO,0,GDB ChEMBL
355294,CC(C)[NH2+]C1C(C2CCC2)CCC1(C)O,0,GDB ChEMBL
203455,C=CCC(C=C1CC=CC1)C[NH2+]C,0,GDB ChEMBL
386480,CC(O)c1nccc(F)c1C1CCO1,1,GDB ChEMBL
243953,CC1C=CC2CC(C(C)OC(C)(C)C)CC12,1,GDB ChEMBL
347900,CCC(CC=NO)C(=O)NC(=O)OCCO,1,GDB ChEMBL
300142,[NH3+]CC1NC2CS(=O)(=O)NC(C2O)C1CO,0,GDB ChEMBL
2140,CC(C)C(C#N)N1CCC1,1,GDB ChEMBL
361634,CC1CC(CC(O)CO)C(=O)O1,1,GDB ChEMBL
26792,CC1[NH+]=C(N)N(C)C(=O)NC1C(N)=O,0,GDB ChEMBL
230368,CC[NH+](C)C1COC(=O)C2(C)NCC12,0,GDB ChEMBL
126340,COc1cc(CC(=O)CO)nc2cc(N)nn12,1,GDB ChEMBL
71257,CC1CC2CC(O)C(CO)CC2(C=O)C1,0,GDB ChEMBL
156163,[NH3+]CC1C2CC(O)C(O)C1C(=O)O2,0,GDB ChEMBL
60623,Cc1cc(=[NH2+])c(C(=O)[O-])co1,0,GDB ChEMBL
346805,CC(C(=O)OCC(O)CO)C(C)(C)C(=O)C#N,0,GDB ChEMBL
57282,CC1NC(=O)C2CCOC1C(O)C2(C)[NH3+],0,GDB ChEMBL
387245,CC(C)CCc1ccnc(OC(=O)C#N)c1O,1,GDB ChEMBL
103515,NS(=O)(=O)C1CC2C(CC([NH3+])C2C(=O)[O-])O1,0,GDB ChEMBL
153324,CCC1CCCC2C=C(CCCC2)C1,1,GDB ChEMBL
29012,CC(C)(O)C[NH2+]C1CCC1O,0,GDB ChEMBL
152059,NS(=O)(=O)CC(CCO)C(=O)NC=O,1,GDB ChEMBL
272505,CNC(=O)C1C2NS(=O)(=O)C(C[NH3+])C21O,0,GDB ChEMBL
354325,CC(C)C1(O)CCC2(CCCC2)[NH+](C)C1,0,GDB ChEMBL
318163,N=C1OCC(O)C2CCC1NC2,1,GDB ChEMBL
260528,C#CC[NH2+]C1(CO)CC2C(C1)N2C,0,GDB ChEMBL
195203,CC(OC(=O)Cn1cnc(N)c1)C(=O)C#N,1,GDB ChEMBL
214048,CCc1coc2c(F)nc(CO)cc12,1,GDB ChEMBL
271342,CCOC1CC2(C)CC=CCCC1C=CC2,0,GDB ChEMBL
190064,CC1COCC[NH2+]C1C(O)CO,0,GDB ChEMBL
191520,NC(=[NH2+])NCC(=O)Cc1n[nH]cc1O,0,GDB ChEMBL
319364,COCC(CC#N)N=C1NCC(=N)NC(=O)N1,0,GDB ChEMBL
81421,CC[NH+]1C2C3CC4C(NC32)C41,0,GDB ChEMBL
41339,C#CCc1ccnc2c(C)n(CCCC)nc12,1,GDB ChEMBL
386682,C[NH+](C)C(CCO)C(=O)NCc1nc(N)cs1,1,GDB ChEMBL
59580,[NH3+]CC1CC2C=CC=CC(C2)C1,0,GDB ChEMBL
345405,C#CCOC1(C[NH2+]C)CC(C(C)C(C)[NH3+])C1,0,GDB ChEMBL
262316,CCC1C(OC)C(=O)NC2CC21,1,GDB ChEMBL
317725,FC(F)(F)CC1CC1c1ccccc1,1,GDB ChEMBL
230237,CC1=CC=Cc2cccc(C)c2CC1,1,GDB ChEMBL
304441,CC1=CCCN(C(N)=O)C12CC2,0,GDB ChEMBL
227292,CCC(O)C1C2NC(C(=O)OC2C)C1(C)[NH3+],0,GDB ChEMBL
310738,CCOC1C=CCC(=O)N(C)C(=NC)CC1,0,GDB ChEMBL
225210,N=C(NC(=O)CC[NH+]=C(N)N)Nc1csnn1,1,GDB ChEMBL
4968,C#CC(O)C1CCC(C)(C(C)C)C1C(C)CC,0,GDB ChEMBL
24530,CC(NC(=[NH2+])NCC(N)=O)C(N)=O,0,GDB ChEMBL
371743,CCCCCC(O)(C#N)C(C)([NH3+])CCCO,0,GDB ChEMBL
38876,CC1(C2NC(=O)C([NH3+])C2O)OC1C[NH3+],0,GDB ChEMBL
325858,CCC(C)C1C(C)CC(C(F)(F)F)C12CC2,0,GDB ChEMBL
140834,C1#CCCC2C=CC(CC1)CCCC2,0,GDB ChEMBL
227764,NC(=O)OC1C[NH2+]C2CC1(O)C(O)C2O,0,GDB ChEMBL
191684,CC1[NH2+]C2CC(O)C1(C=O)C2,0,GDB ChEMBL
104500,COC(C)CN=C(N)NS(C)(=O)=O,1,GDB ChEMBL
40365,CNC1C(C#N)CCC2C[NH2+]CC1O2,0,GDB ChEMBL
379416,CCNC(=O)C1C(=O)C=CC1(C)C,1,GDB ChEMBL
358421,[NH3+]C1COCCC2C[NH2+]C2C1,0,GDB ChEMBL
312223,CC1CCC(O)C2C[NH+]1C2,0,GDB ChEMBL
296993,CC1CCCC2C1C=CC2(C)C#N,0,GDB ChEMBL
117422,CCC(=O)NCCC1(COC(C)C)CC1C,1,GDB ChEMBL
289830,CC1CC2CN2C1CCO,0,GDB ChEMBL
354362,[NH3+]Cc1ccc(=O)oc1,0,GDB ChEMBL
23432,CCC1CC1c1cc(Br)ccc1O,1,GDB ChEMBL
246389,COCC1CC(C)C2[NH+]3CC(C)(C3)C12O,0,GDB ChEMBL
133936,C#CC1(c2cccc(I)c2)COC1,1,GDB ChEMBL
130846,CN1CC(NCC(=O)S(N)(=O)=O)CC1=O,0,GDB ChEMBL
201401,C[NH2+]C1CC2CC=CC2CC1C,0,GDB ChEMBL
77492,CN1CC1C(=O)NCc1cc(Cl)ncn1,1,GDB ChEMBL
300139,C#CCC(=NC)OC(=O)CC[NH2+]CC(=O)[O-],1,GDB ChEMBL
387294,O=S(=O)(NC1Cc2ncnn2C1)C1CC1,1,GDB ChEMBL
114773,CNC(=O)C(=O)NC(C[NH3+])CC1([NH3+])COC1,0,GDB ChEMBL
18678,NC(=O)NC(CO)C(=O)CCO,1,GDB ChEMBL
338947,CNC(=O)C(O)C1(C=O)C(O)COC12CC2,0,GDB ChEMBL
380309,C#CC1(CC(C)CCCC)CC(C)C1,1,GDB ChEMBL
337386,CCC(OC1C(N)C1[NH3+])C(C)C(=O)[O-],0,GDB ChEMBL
311006,NS(=O)(=O)CC1CC(O)C(O)CO1,1,GDB ChEMBL
262294,C[NH+]=C(N)OC(C)C1(C)CCCCC(=[NH2+])NC1,0,GDB ChEMBL
120525,N#Cc1ccc(F)c(=O)[n-]1,0,GDB ChEMBL
38491,CC1[NH2+]CCc2cnnn2C1C,0,GDB ChEMBL
24716,CN(CCC#N)CCC1([NH3+])CC1,0,GDB ChEMBL
76484,CC(C)(C)c1ccc(C(F)(F)F)c(I)c1,1,GDB ChEMBL
339015,CN1C(=O)OC(=N)C1CC(N)=O,1,GDB ChEMBL
194271,CNS(=O)(=O)c1cc(F)c(N)c(N(C)C)c1,1,GDB ChEMBL
298950,CC1(CCC2CC2)CC2CC(C2)C1,1,GDB ChEMBL
318406,CC12CC3CC([NH3+])C(O1)C(C3)C2,0,GDB ChEMBL
176525,NC(=[NH2+])C1C(=O)NCC([NH3+])CC([NH3+])C(O)C1O,0,GDB ChEMBL
383001,C#CC(CCOCC)C(CC)C1CCC[NH+]1C,0,GDB ChEMBL
277934,CCC(O)c1nc(C(=O)[O-])co1,0,GDB ChEMBL
349675,C#CC[NH2+]C1C2CCC(=O)CCC21,0,GDB ChEMBL
186650,C#CC(N)CC1C(C)CC2CC(C)[NH+]1C2,0,GDB ChEMBL
349935,CCC1(C=O)CC1COC,1,GDB ChEMBL
175692,O=C([O-])CCCNC(=O)NC1C(O)C1O,0,GDB ChEMBL
304306,COCC(C)(C[NH3+])C1OC1(C)C,0,GDB ChEMBL
182898,CCCCC1C2CCC3CC31C[NH2+]2,0,GDB ChEMBL
341364,Nc1noc(CC(C=O)CCCCO)n1,1,GDB ChEMBL
114804,C#CC(=O)NCC(C)(O)C(=O)NC,1,GDB ChEMBL
28947,CC(C)(O)CC1C2=CCCCCC1OC2,0,GDB ChEMBL
177873,C=CC(C)C1C(=O)N2CC2CC1C,0,GDB ChEMBL
263971,CCC1(CCC(C)C)CC(C)CC1C(C)(C)C,0,GDB ChEMBL
324043,CCCC1(C)CC2CC2CCC1C(C)C,1,GDB ChEMBL
255415,CC(CC#N)C1C2C([NH3+])C(O)C(=O)N12,0,GDB ChEMBL
385441,CNC(=O)C1C(N)C(C[NH+](C)C)C(=O)N1C=O,0,GDB ChEMBL
38754,CCc1nc(C(=O)C(=N)NC(C)C(C)O)no1,1,GDB ChEMBL
249558,CC(C)c1cccc(C2C(C)C2C)c1,1,GDB ChEMBL
215400,CC(C=O)(OCCO)C(O)CC#N,0,GDB ChEMBL
81517,CC(O)C1C(C)CC[NH+]1CC(O)(C=O)C=O,0,GDB ChEMBL
142005,C[NH2+]C1CC(C)C2CCC(C)(C)C(C1)C2,0,GDB ChEMBL
23585,C[NH+](C)CC1CC(O)C([NH3+])CCC(C(N)=O)O1,0,GDB ChEMBL
286294,C[NH2+]CC(O)C(c1cnoc1)N1CC1,0,GDB ChEMBL
276117,CCC(CO)N1CC2(CCC3CC32)OC1=O,1,GDB ChEMBL
233462,COCC(O)Cc1ccc(N)s1,1,GDB ChEMBL
48160,CC(C)C1(C[NH3+])Nc2ccc(Cl)cc2CC1C,0,GDB ChEMBL
203214,C#CC1(C)C2N(C)CCOC21CCC,0,GDB ChEMBL
40047,CC([NH3+])C(C(N)=O)C(O)C1CN1C,0,GDB ChEMBL
324020,CC1CCCCOC1CC1(C(C)[NH3+])CCCC1,0,GDB ChEMBL
6138,Cc1ccc(OCC2C(C)C2C)c(N)c1F,1,GDB ChEMBL
101067,CC(C)(C)CC1CC1CCC1CCCC1,1,GDB ChEMBL
235643,Cc1c(N)nc2ncnn2c1N,1,GDB ChEMBL
194428,Cc1nn(C)cc1C([NH3+])CNCC#N,0,GDB ChEMBL
156056,COC1CC2CC(C(C)[NH2+]2)C(C)(C=O)C1,0,GDB ChEMBL
147601,CC#CC1(C)CCCN1C(N)=O,1,GDB ChEMBL
239352,CC(O)C(=N)NC(=O)OCCO,1,GDB ChEMBL
255078,CC1(O)C2CC3(CC3)C1NC2=O,0,GDB ChEMBL
363124,C#CC1(CC(=O)OCC)CCC1(C)[NH2+]C,0,GDB ChEMBL
247536,CC1(C)C2CC3CCC1C3C[NH2+]2,0,GDB ChEMBL
201050,C#Cc1cc(Cl)c(CC)n(CC2CC2)c1=[NH2+],0,GDB ChEMBL
25152,COc1ccc(C)c(Br)c1C(C)(C)C(C)=O,1,GDB ChEMBL
318567,C[NH2+]C1CCC(C=O)C1C(C)O,0,GDB ChEMBL
375999,CC(=[NH2+])N(C)CC1CC[NH+](C)C1,0,GDB ChEMBL
287053,COc1c(Cl)cc(=O)[nH]c1[O-],0,GDB ChEMBL
286825,CCCc1c(C#N)cc(F)nc1CC,1,GDB ChEMBL
149294,C#CCCCCc1sc(NC)cc1CC(C)C,1,GDB ChEMBL
326444,CCCC(CO)C1CC1C1OC1(C)C,0,GDB ChEMBL
223513,CCC=CC(CC)(CCC)C(C)=O,1,GDB ChEMBL
354744,CC1CC(C(F)(F)F)CC2=CCCC21,0,GDB ChEMBL
347974,CC1CC[NH+](C)C1C1(O)CCCCC1,0,GDB ChEMBL
394922,CCCCCC12CC1(C)CCCC2C,0,GDB ChEMBL
353539,CN1CC(=O)C2CN(CCO)C(=N2)CS1(=O)=O,0,GDB ChEMBL
222116,CC1CCC1OCCC#N,1,GDB ChEMBL
86731,CNC(CO)=[NH+]C(CN)CC[NH3+],0,GDB ChEMBL
77796,CCC1(C)C(=[NH2+])NC1C(=O)[O-],0,GDB ChEMBL
194419,COC1C(O)C(=O)N(C)C(C)C2(C[NH3+])OC12,0,GDB ChEMBL
50062,CC1CC2CC2CCCC[NH2+]1,0,GDB ChEMBL
77488,CCC1CCC(CCC(C)C)C1O,1,GDB ChEMBL
201427,CC(CC[NH3+])C1OC1(C)C(C)CCCO,0,GDB ChEMBL
107852,N=C1NC(=O)C(N)C(CO)C(C(N)=[NH2+])N1,0,GDB ChEMBL
34266,CC1CCCCCCC1CC1C2CCCC21,0,GDB ChEMBL
394237,COC(=O)C(N)(C#N)C(O)C(N)=[NH2+],0,GDB ChEMBL
40458,COC(C)C1NC(=O)N(C(C)C)CC1NC=[NH2+],0,GDB ChEMBL
230373,CC1CC(NC(=O)c2nnn[n-]2)C(=O)N1,0,GDB ChEMBL
321803,CC1C[NH2+]C2(CN(C)C)CCCC(C2)C1C,0,GDB ChEMBL
292500,COC(C)C([NH3+])C(C[NH+]=C(N)N)C(O)C(N)=[NH2+],0,GDB ChEMBL
251473,CC1C(O)C([NH3+])C(=N)N1CC(F)(F)F,0,GDB ChEMBL
77791,CC1(CS(N)(=O)=O)COC(=O)C=CNCC1=O,0,GDB ChEMBL
287018,C#CCOCc1ccc(NC)c(CC[NH3+])c1C,1,GDB ChEMBL
215865,CCNc1nc(Cl)n2ccc(NC)c2n1,1,GDB ChEMBL
177859,C#CCOC(C)C,1,GDB ChEMBL
157076,CN1CC(=O)C(=O)OCC12CC=CC2,1,GDB ChEMBL
284010,Cc1cc(NC(=N)C2COC(=O)N2)n[nH]1,0,GDB ChEMBL
235941,CCC(O)(CO)CC(C[NH3+])C1(O)CC[NH2+]CC1,0,GDB ChEMBL
253628,C[NH2+]Cc1c2sc(N)nc2cn1C,0,GDB ChEMBL
202016,OC1C(O)C2C=CC1C2c1ccoc1,0,GDB ChEMBL
116396,CC(C1C(=O)C2CCC[NH2+]C3C2C31)[NH+](C)C,0,GDB ChEMBL
330345,C[NH2+]C(CC(C)=O)C(C)N(C)C1CC1C,1,GDB ChEMBL
308116,C#CCC1(C#N)NC1C(O)C[NH2+]C(C)(C)C,0,GDB ChEMBL
21681,COC(=O)CC(C)(C)c1cc(Br)c(Br)cc1Br,1,GDB ChEMBL
75422,CC1(C)C2CC(C=NO)NC(=O)CCCN21,0,GDB ChEMBL
147957,CC1C(=O)OCC2OCCCC2C1O,0,GDB ChEMBL
127648,NC1=[NH+]C(C(=O)[O-])C2NS(=O)(=O)CCC12,0,GDB ChEMBL
92279,CC1(C)OC1C1NCCCC1=O,1,GDB ChEMBL
388254,C#CC1CC(C#CCC)(OC(=O)CCC)C1,1,GDB ChEMBL
61271,C#CC12CCc3cccc(Cl)c3CC1C2,0,GDB ChEMBL
280703,CC(NC(N)=[NH2+])C(=[NH2+])NCC(O)C[NH3+],0,GDB ChEMBL
379863,C[NH2+]C(C(=O)[O-])C1C([NH3+])CCC1N(C)C(C)=[NH2+],0,GDB ChEMBL
353586,NC(=O)C(O)C(COCCO)C(N)=O,0,GDB ChEMBL
203893,COCCc1coc(=N)c(OCC[NH3+])c1C,0,GDB ChEMBL
142366,CNC(=[NH2+])NC(=N)N(CC(C)C)C(=O)CN,0,GDB ChEMBL
79323,CC(C)=CC1C2C3CC1[NH+](C)CC32,0,GDB ChEMBL
185274,COc1cc(I)ccc1[N-]S(=O)(=O)CC[NH3+],0,GDB ChEMBL
310137,CNC1(C(=O)[O-])C[NH+]=C(N)C1,0,GDB ChEMBL
304459,COCCC(C)C1([NH3+])CC1,1,GDB ChEMBL
350694,NC(=O)C1OC2(CCOC2)C(O)C1O,0,GDB ChEMBL
192613,COC(C)C1(C[NH2+]C2CC2)CC1,0,GDB ChEMBL
210437,CC#CC1(C(C)CC#N)C(=O)NCC1OC,0,GDB ChEMBL
22629,O=C([O-])CC1=CS(=O)(=O)[N-]C(=O)N1,0,GDB ChEMBL
209430,CCC(C)C1C(CC2CC2)CC2OC21,0,GDB ChEMBL
280618,CNC(=[NH+]C)N1CC(C(C)O)N(C(N)=O)C1=N,0,GDB ChEMBL
42570,CC(C=O)N1C(=O)CCCC1C(N)=[NH2+],0,GDB ChEMBL
380289,CCCC(C)CCCCC(CC)CC,1,GDB ChEMBL
317964,Cc1ccc(C[NH3+])c(C(C)(C)C(C)(C)O)c1F,1,GDB ChEMBL
261436,CN=C1OC(C)C(O)C(C)C=C1C(N)=O,0,GDB ChEMBL
24234,CC([NH3+])C1C2NC(=O)CC(O)C21,0,GDB ChEMBL
33886,CNC(=O)NC(=N)C(C)NS(C)(=O)=O,1,GDB ChEMBL
271143,C[NH2+]C1CC2C(C)C1C2CCC[NH3+],0,GDB ChEMBL
59190,CCCCC1CN1C(C1=CCOC1)C(C)O,0,GDB ChEMBL
342365,COc1ccc(F)nc1C#CC(C)C#N,1,GDB ChEMBL
235663,CC#CC1C[NH2+]C2CCC(CC2)C1O,0,GDB ChEMBL
187205,CC1CC(=O)C(C[NH+](C)C)C2C(C)C12,0,GDB ChEMBL
288918,CNC(C)=[NH+]CCCC[NH+](C)C,0,GDB ChEMBL
228327,[NH3+]CC1NC(=O)OC2C(O)C2(O)C1CO,0,GDB ChEMBL
361799,C1=CCC(C2=CCc3ccccc3C=C2)C1,0,GDB ChEMBL
39670,C[NH+]1C(CO)C2CC1C1(C)CC21,0,GDB ChEMBL
334431,CCCCC1=CCCC(C)(C[NH2+]C)OC1,0,GDB ChEMBL
41053,CC1[NH2+]CCC2(O)C(O)C(CC(N)=O)C12,0,GDB ChEMBL
153220,COCC1OCCC1(C#N)C(N)=O,0,GDB ChEMBL
310993,CCC(OC)C1CC(C)(CC)C2CC12,1,GDB ChEMBL
23962,C#CC1(O)C[NH2+]C2CC1C(C)C2C,0,GDB ChEMBL
114788,N#CCNC(C[NH3+])CCS(N)(=O)=O,1,GDB ChEMBL
337076,CCCC(CC(C)C)(CC(C)(C)C[NH3+])C(C)C,0,GDB ChEMBL
24728,COC(=O)CCS(=O)(=O)C1CN1C(N)=[NH2+],0,GDB ChEMBL
358819,O=C1CC2COC(CO)C(C=CN1)N2,0,GDB ChEMBL
43947,CC1CC(=[NH2+])N2CCCC12,0,GDB ChEMBL
139847,CC([NH3+])C1CC(O)C(=O)OC(CO)C1OC=O,0,GDB ChEMBL
261363,CC[NH2+]CC(C(O)C(=O)NC)N1CCC([NH3+])C1,0,GDB ChEMBL
258005,COC(CC(C[NH3+])CO)C(N)=O,0,GDB ChEMBL
359039,CNc1cc([N+](=O)[O-])c(C[NH3+])c(C#N)n1,0,GDB ChEMBL
372086,CCC1CC(C(C)Cc2ccc(C)cc2)C[NH2+]1,0,GDB ChEMBL
282208,COC(C(=O)[O-])C1(O)C([NH3+])CNC1(C#N)CN,0,GDB ChEMBL
340411,CC1OC(C(N)(C(N)=O)C(=O)[O-])C(O)C1[NH3+],0,GDB ChEMBL
225235,CCCC1C=CC(C)C(N)(CO)C1[NH2+]C,0,GDB ChEMBL
260743,C#Cc1c(=O)[nH]c(C[NH3+])c2c(N)nc(N)[nH+]c12,0,GDB ChEMBL
109185,CCC(C)C(CC)C1(CCO)C=CCC1,0,GDB ChEMBL
354875,COC(=O)Cn1cc(C(=O)[O-])nnc1=N,0,GDB ChEMBL
157684,NC(=O)C1[NH2+]CC(O)(CO)C1O,0,GDB ChEMBL
10981,Brc1ccc2c(c1)CC1C3CCC2C31,1,GDB ChEMBL
398976,CCCC(C)C1(C)CC(CC)CC(C)(CC)C1,0,GDB ChEMBL
16725,OC1CC2CC(C1)C1CC1C1CC21,1,GDB ChEMBL
391666,CS(=O)(=O)NC1(C(O)CO)CC1[NH3+],0,GDB ChEMBL
331521,C#CCC[NH+](C)C(C)c1cc(N)cnc1CC,0,GDB ChEMBL
36194,COC(=O)c1cnccc(=NO)c1N(C)C,0,GDB ChEMBL
27824,NC(C(O)C[NH3+])C1NC(=O)C([NH3+])C1O,0,GDB ChEMBL
378878,COCC1(CO)C(C)CC2[NH+]1CC(C)C2(C)O,0,GDB ChEMBL
367795,NC(=O)c1c(N)ncc(Br)c1O,1,GDB ChEMBL
351353,Cn1cc(C#CCC[NH3+])nn1,0,GDB ChEMBL
124518,C#CC(C#N)(OC(C)C)C(C=O)N(CC)CC,0,GDB ChEMBL
320426,CC1CC(C(=O)[O-])C2(C)OCC12,0,GDB ChEMBL
189868,[NH3+]CCC1CO1,0,GDB ChEMBL
385489,[NH3+]CC1CC(C2CCC(CO)O2)CO1,0,GDB ChEMBL
36176,CC([NH3+])(CO)c1cc(=O)o[cH-]1,0,GDB ChEMBL
46059,CNC(=[NH2+])CCOC1CCC(C#N)(C[NH3+])CC1,0,GDB ChEMBL
106659,CC1CCC2(C)CC1CC(O)CCCO2,0,GDB ChEMBL
252079,COc1ccn2c1C([NH3+])CCC2,0,GDB ChEMBL
352195,CC1CC(=O)OC2C(N1)C2(C#N)CN(C)C,0,GDB ChEMBL
356497,CS(=O)(=O)NC1C2C[NH2+]C1C(O)C(O)C2,0,GDB ChEMBL
326450,C#CC1CC(CC)[NH+]2CC(C)(C)CC(C)C12,0,GDB ChEMBL
338529,C=C(C)C(C)C1(CCC)CC([NH3+])C1,0,GDB ChEMBL
201688,C#Cc1cc(F)c(C)c(C2=CCCC2)c1,1,GDB ChEMBL
247167,CC1C[NH+](C)CC(O)C2CC2(CO)C[NH2+]1,0,GDB ChEMBL
191266,C=CCC(C)C=CCC=CC=CC,1,GDB ChEMBL
351181,COC(C)Cc1ccc(-c2ccoc2)cc1I,1,GDB ChEMBL
136683,COC1CCC(N2CC2C)=[NH+]C1,0,GDB ChEMBL
182139,CC1C(C)C12CC1CCCC(C1)C2,0,GDB ChEMBL
221714,[NH3+]CCc1oncc1C[NH3+],0,GDB ChEMBL
250599,N#CCN1C2CCC(C2OC(N)=O)S1(=O)=O,0,GDB ChEMBL
67331,C#CC1C[NH+](CC)C(C)Cc2c(I)cccc21,0,GDB ChEMBL
279099,CNC(=O)C(CCS(C)(=O)=O)=N[O-],0,GDB ChEMBL
19366,N#CC1C(C[NH3+])NC2C(N)C(=O)OC12,0,GDB ChEMBL
355388,CC1CCC2C1CC=C1CCCC12C,0,GDB ChEMBL
75825,O=C([O-])CCc1cnc2ccc(Br)cn12,0,GDB ChEMBL
309156,CC1CC(C)(C)C2CCC3CCCCC3C12,0,GDB ChEMBL
104674,CCC1CC(O)CN2CC2C1C[NH3+],0,GDB ChEMBL
189817,CCCCCC1CC2C3CCCC(C1C)C32,0,GDB ChEMBL
240796,CN=C(C)NC(=O)Nc1ncc(F)c(O)n1,1,GDB ChEMBL
365711,CC(=O)C1[NH2+]CCC1CN1CC(O)C1,0,GDB ChEMBL
242988,CCC(C)[NH2+]C(C)C1([NH3+])CCC1C(=O)[O-],0,GDB ChEMBL
379736,CN1CCc2c(C3CC3)c(Br)cc(Br)c21,1,GDB ChEMBL
141873,CCN1CCOC(=N)C(C#N)OCC(O)C1=O,0,GDB ChEMBL
214720,[NH3+]CCC(C[NH3+])N1CCNc2cc(F)cnc21,0,GDB ChEMBL
285738,CCC1(CC[NH3+])C2C=CC1CC2,0,GDB ChEMBL
102270,CCC1CCCC2C(C1CC)C2(C)C,0,GDB ChEMBL
53842,Cc1ccc(F)c2c1C1CC2C=CC12CC2,0,GDB ChEMBL
263955,O=C1NCC2(CCO)OCOC12,0,GDB ChEMBL
187232,CCCC(CCC=O)C[NH2+]CC(C)C,0,GDB ChEMBL
358872,C[NH+](C)C(CO)C1CC(O)C(O)C(C#N)CO1,0,GDB ChEMBL
397094,CCC1[NH2+]C2CC([NH2+]C)C(O)C12,0,GDB ChEMBL
342591,COC(=O)C(C[NH+]=CN)C(CC[NH3+])C(C)OC,0,GDB ChEMBL
184497,CNC(=[NH2+])C(OC)C1(O)CC(=O)NC1C,0,GDB ChEMBL
23527,C[NH+]1CC(C)(C)C2CC3CCC([NH2+]3)C21,0,GDB ChEMBL
338296,CNC1=[NH+]C(CO)COC(CO)C1,0,GDB ChEMBL
244290,NC(=[NH2+])Nc1nccn1C(N)=O,0,GDB ChEMBL
271798,CC1=CCOC(C(O)CO)C1C(C)[NH3+],0,GDB ChEMBL
398860,CC1=CCCC(C)C(C)([NH3+])CC1,0,GDB ChEMBL
247394,N#CCC1OC(CS(N)(=O)=O)C(CO)C1[NH3+],0,GDB ChEMBL
218531,CCN=C1NC(C(C)=O)CN1C(=O)CC=O,0,GDB ChEMBL
290145,N#CCC1COc2[nH]nc(OCC(=O)[O-])c2C1,0,GDB ChEMBL
307863,FC(F)(F)Cc1cc[nH]n1,1,GDB ChEMBL
47246,COC1C(CO)OC(=N)N2CC12CC(N)=O,0,GDB ChEMBL
313336,CCCC(C)C1Cc2c(Br)cc(C)c(C)c2C1,1,GDB ChEMBL
262266,CC1=CCC(CCO)CCC=C1,1,GDB ChEMBL
236607,CCC1C2CC(C2)C1CC(=O)C(F)(F)F,1,GDB ChEMBL
205958,C=C(C(=O)[O-])C1(C(N)CO)CC[NH2+]1,0,GDB ChEMBL
26892,CC1=CCC(CC(C)C)C(C)CC1(C)C,0,GDB ChEMBL
305490,C#CC1C(C)C(C(C)C)CC1(C)CCC,0,GDB ChEMBL
273957,CC1C2CCN(C)C(C=O)C(C)[NH+]1CC(O)C2,0,GDB ChEMBL
304324,CCC1CC2C=CCCC[NH2+]C1C2,0,GDB ChEMBL
243721,[NH2+]=CN1CCc2c(I)cc3c(O)cccc3c21,0,GDB ChEMBL
257992,Cc1cc2nc(C#N)nc(O)n2n1,1,GDB ChEMBL
322907,CCCCC1CC(C)C2CC1CC2C1CC1,0,GDB ChEMBL
77800,CN1C(=O)CCC1C1(N)COC1C[NH3+],0,GDB ChEMBL
354348,CCC(=O)C(=N)N(CC[NH2+]C)c1nccs1,0,GDB ChEMBL
229433,NC(=O)Cn1nc(O)cc1C[NH3+],0,GDB ChEMBL
156125,N#CC1(C(N)=O)CC12CCNC(=O)O2,0,GDB ChEMBL
377795,COC1CC(C#N)C2C([NH3+])C12C,0,GDB ChEMBL
258744,COCC1CC[NH2+]C(C)(C)C1,1,GDB ChEMBL
21556,CCC12CC3(C)C(O)CCC3C1(CO)C2,0,GDB ChEMBL
66629,CC1CC=CC1C1(C)COC1,0,GDB ChEMBL
140755,CCCC1OCOC12CNC2C(=O)[O-],0,GDB ChEMBL
190854,CC(=O)NC1(C=O)CC1,1,GDB ChEMBL
35319,CNc1nc([O-])c2c[nH]c(=[NH2+])cc2[nH+]1,0,GDB ChEMBL
104395,C=CCC(C)CC1C2C=CC1CC2,1,GDB ChEMBL
189747,CC1CC2CCC(CC[NH3+])C(C)NC(=[NH+]C2)N1,0,GDB ChEMBL
310174,CCCC1CC(N)=CC1=O,1,GDB ChEMBL
281682,C#CC([NH3+])(C#CC(C)(C)O)CCCC1CC1,0,GDB ChEMBL
369335,Cc1c2csc1C(=O)CCCCCN2,1,GDB ChEMBL
275552,Cc1c(NC=[NH2+])ccc(Br)c1C(C)C,0,GDB ChEMBL
111532,CC#CCNC(=O)NC1CC1,1,GDB ChEMBL
338120,COC(=O)C1(C)CC2C(C)N2C1,0,GDB ChEMBL
161974,CCC(O)C1C(N)(CO)C(C[NH3+])NS1(=O)=O,0,GDB ChEMBL
207013,CCC(CCOC)C(CC#N)N1C(C)C1C,1,GDB ChEMBL
9780,CC1=CC2(c3cncn3C)CC2C1,0,GDB ChEMBL
78604,C#CCCC(CCC#C)[NH2+]C,0,GDB ChEMBL
353989,Cc1cc(C(C)(C)C)ccc1OCC(C)C,1,GDB ChEMBL
127470,C[NH2+]CC1CCCCC=C(C)C1,0,GDB ChEMBL
78319,CCCC1(C)CC(COC=O)CC1C(C)C,0,GDB ChEMBL
80200,CC[NH2+]CC1NC(C[NH2+]C)C1=O,0,GDB ChEMBL
382569,CC(C)C[NH2+]CCn1cc2c(n1)NCC2,0,GDB ChEMBL
18691,Cn1c(=O)cc(C(N)=O)[c-]1C(=O)NC(N)=[NH2+],0,GDB ChEMBL
278252,Ic1ccc2c(c1)C=CC(C1CO1)CCC2,0,GDB ChEMBL
69571,COCC12COC(C(CC[NH3+])OC1C)C2O,0,GDB ChEMBL
300914,C#CC(CC(=O)NC)NCC(=O)NC(C)=O,1,GDB ChEMBL
362042,CCC1C2C[NH+]1C1CC(OC)CCC21,0,GDB ChEMBL
217078,O=COc1ncccc1C=O,1,GDB ChEMBL
244580,CC1CC2C[NH2+]CC(O)C2C1O,0,GDB ChEMBL
138357,C#CC(=O)NC1CC(=O)NCC1O,1,GDB ChEMBL
184696,[NH3+]CC(=O)NC1CC([NH3+])C12CNC(=O)O2,0,GDB ChEMBL
278839,Cc1cc(C(C)C)cc(I)c1CCC(=O)C=O,1,GDB ChEMBL
221372,CNS(=O)(=O)C1CC(=O)N2CC2C1O,0,GDB ChEMBL
59228,NC(=[NH2+])N1CC(N)(C(O)C(=O)[O-])C1,0,GDB ChEMBL
316433,[NH3+]C1CCC(O)(CO)C2CCC(C1)OC2,0,GDB ChEMBL
277820,C[NH2+]C1c2cnc(Cl)nc2CC12CCC2,0,GDB ChEMBL
225034,CC1NC(=O)C2(CO)NC1CC([NH3+])C2O,0,GDB ChEMBL
320424,CCC1C2C=CC1C(C(C)(C)C)CC2C,0,GDB ChEMBL
391490,C#CC1CC(C2CC2)C[NH+]1C,0,GDB ChEMBL
152498,CCC1CC2CC(O)C1C2(C)C[NH2+]C,0,GDB ChEMBL
93759,CCNC12CNC(=[NH2+])NC1(CC(=O)[O-])C2O,0,GDB ChEMBL
199042,Cc1c(C#CCCO)cc(Cl)cc1CC#N,1,GDB ChEMBL
277939,CCCNc1ccc(O)cc1,1,GDB ChEMBL
251956,COC(CO)C([NH3+])C(OC)C(O)C1CC1O,0,GDB ChEMBL
229425,C#CC(C)(C)C1CCCCCC1C,0,GDB ChEMBL
221652,C#CC1(CCCCC)Cc2cnc(Br)cc2C1,0,GDB ChEMBL
337986,C=CC12CC(C)C([NH2+]C)C1(CO)O2,0,GDB ChEMBL
244315,CC(N)(CC([NH3+])(CO)C(=O)[O-])C(N)=O,0,GDB ChEMBL
386444,CCC1CC2(O)CC=CC(C2)[NH2+]1,0,GDB ChEMBL
292237,CC1OC(C#N)C(=O)C2CC2C1CO,0,GDB ChEMBL
347998,CS(=O)(=O)CC1CC2CC2CC1[NH+]=C(N)N,0,GDB ChEMBL
34336,C[NH2+]CC1C2COC1C1([NH3+])CCNC(=O)C21,0,GDB ChEMBL
112412,CC1C[NH+](C)C2CCC2([NH3+])C1,0,GDB ChEMBL
387242,C[NH2+]CC1OCC(C)C1C(N)(C[NH3+])C(N)=O,0,GDB ChEMBL
203171,CC=C1C[NH2+]C2(C)CCCCCC12,0,GDB ChEMBL
50969,N=C1CCOC(=O)N1C(=O)CC=O,1,GDB ChEMBL
361655,CC1[NH2+]C(C(N)CC[NH3+])C(CO)C1N,0,GDB ChEMBL
93081,NC(=[NH2+])NC1(C(=O)[O-])C(O)C(=O)C1O,0,GDB ChEMBL
165611,O=C1CCS(=O)(=O)C2CC(=O)C(C2)C(=O)N1,0,GDB ChEMBL
235905,C=CC1OC1C(C)C(CC)C(=C)C,0,GDB ChEMBL
38615,N#CC1NC(=N)OC1C(O)C([NH3+])CO,0,GDB ChEMBL
292714,CCC(O)C([NH3+])CC1([NH3+])CC[NH2+]C2CC21,0,GDB ChEMBL
100695,CC1CCC2CCC1([NH3+])CCN2C(N)=[NH2+],0,GDB ChEMBL
234503,CC(C)Cc1[nH]cnc1C1CN(C)C1=O,0,GDB ChEMBL
38563,C[NH2+]CCNC(=O)C(CO)S(=O)(=O)[O-],0,GDB ChEMBL
263840,C#CC=CC(=C)C(C)CC(C)[NH2+]C,0,GDB ChEMBL
89369,CCc1nccc(NC(C)C)c(=O)n1,0,GDB ChEMBL
307475,CCC1CC(C(C)C)C2CC1(C)CC2C,0,GDB ChEMBL
191683,NC(=[NH2+])C1(C2OC2C(=O)[O-])COC1,0,GDB ChEMBL
136474,C#CCc1c[nH]c2ccc(Br)c(C#C)c12,1,GDB ChEMBL
234205,C#CCC(C)(CCCC)C1OC1(C)CC[NH3+],0,GDB ChEMBL
358406,NC(N)=[NH+]CC[NH+]=C(N)NC1CNC1=O,0,GDB ChEMBL
271805,CC(C[NH3+])NC(=N)Oc1cnc(N)nc1O,0,GDB ChEMBL
379374,C#CCC(COCC)COC(=O)C(=N)N,1,GDB ChEMBL
74296,CCCC1C[NH2+]C(CO)C(O)C12CC2,0,GDB ChEMBL
99617,CC1CC2NC2C(OCCO)C1,0,GDB ChEMBL
344301,CC([NH3+])C1C(CO)NC1C(N)=O,0,GDB ChEMBL
219534,CNC1=NCC(=N)N1C(=O)OCC[NH3+],0,GDB ChEMBL
103446,CC(CO)C1C([NH3+])C1CS(N)(=O)=O,0,GDB ChEMBL
184529,COC1CC(O)C=CC(C)C(C(C)(C)C)O1,0,GDB ChEMBL
288109,CC(=O)C1C(O)C2COC1C2C(N)=O,0,GDB ChEMBL
359071,[NH3+]CC1CC1C[NH2+]CCO,0,GDB ChEMBL
334482,CC[NH2+]C1CC(CC(C)CC)C(C)(C(C)C)C1,0,GDB ChEMBL
160372,[NH3+]CCCNC(=O)C1CC(=O)NC2CN1C2,0,GDB ChEMBL
84529,C=CCC(=C)C[NH+](CC=C)C(C)C,1,GDB ChEMBL
379709,CC(C)C(=O)N(C)C1C(=O)C(CCO)CC1O,0,GDB ChEMBL
117448,Cc1oc2nc1CC1CN=C(NC2)NC1=O,0,GDB ChEMBL
338004,CC(=O)C1CC(C)N(C=O)C1C,1,GDB ChEMBL
191540,C[NH2+]C1CC(O)C2OC2(C)C1C,0,GDB ChEMBL
208243,C=CCOC(C=CCOC)C1CC1,1,GDB ChEMBL
84918,CC[NH+]1C2C(OC)C([NH3+])CC1(C)C2C(=O)[O-],0,GDB ChEMBL
114784,CCC1(OC)CC(C)C2C=CCCC21,1,GDB ChEMBL
132459,[NH3+]C(CCOCCO)CC1(NC=O)CCCC1,0,GDB ChEMBL
161383,CCc1c2nnccc2cn1CC(C)C,1,GDB ChEMBL
126947,NS(=O)(=O)OC1CN2C(=O)C(O)CC12,1,GDB ChEMBL
1440,Cc1nocc1NC1(C(C)CCO)CCC1,0,GDB ChEMBL
291863,CC12CCCC(C#CCCNC1=O)C2,0,GDB ChEMBL
289808,CC1CC2CC[NH+](C1)C1CCOC1O2,0,GDB ChEMBL
51398,C[NH2+]C1C2CC3OC31C(C(=O)[O-])O2,0,GDB ChEMBL
11365,CCC(O)C1(C(C)C)CN1CCCO,0,GDB ChEMBL
54826,C=C(C)C1CC2CCCC2C12CC2,1,GDB ChEMBL
18919,CCC1(O)C(=O)CN(C)CC1O,1,GDB ChEMBL
179441,CC[NH2+]C1CC(CC(C)NC(N)=[NH2+])C1=O,0,GDB ChEMBL
342631,CC1=CCCC1Cc1c(C)cc(C)cc1F,1,GDB ChEMBL
61298,[NH3+]CC1CC2OCC1(O)C2O,0,GDB ChEMBL
134466,C#CC1C2CCCC1C(C)CC(CCCC)O2,0,GDB ChEMBL
287305,C#CCC1CCC2CCCC(C)C2CC1CC,0,GDB ChEMBL
340476,CCC1(C(=O)[O-])[NH2+]CC2COC(C2)C(O)C1N,0,GDB ChEMBL
191715,NC(=O)CNc1ncn[nH]c1=O,1,GDB ChEMBL
41074,CC(C)(C(O)CC[NH3+])N1CCCC1=[NH2+],0,GDB ChEMBL
203330,CCC1CC(CC)C[NH+](C(C)C(C)(C)CC)C1,0,GDB ChEMBL
336024,CCCC(C)(C)OC(=NC)C(=O)OC,0,GDB ChEMBL
138365,C#CC1=C(C)CC([NH2+]CC)CC1,0,GDB ChEMBL
105978,NC(=O)CC1CCCC[NH2+]1,1,GDB ChEMBL
99098,C#CCC1(C)CCC[NH+]=C(N)N1,0,GDB ChEMBL
372196,CC1CC(=O)CNC(=[NH2+])OCCO1,0,GDB ChEMBL
312529,CCc1c(C)cc(Cl)c2c1CCC21CCCC1,1,GDB ChEMBL
76723,CCC1(C(=O)NC(N)=O)C[NH2+]C(C)(C)C1=O,0,GDB ChEMBL
332408,NC(CCS(N)(=O)=O)C(=O)OCC(=O)[O-],1,GDB ChEMBL
31381,Cc1ccc(C2(O)CN(C)C2)c(O)c1,1,GDB ChEMBL
344252,CC12CCCC(C1=O)C(O)C(=O)O2,1,GDB ChEMBL
235975,CCC1C([NH3+])C2CC(C(=O)O2)C1[NH2+]C,0,GDB ChEMBL
98660,COC(C)(C(C[NH3+])C(N)=O)C(C#N)(C#N)C#N,0,GDB ChEMBL
247632,CCCCc1c(C(N)=[NH2+])sccc1=NC(C)C,0,GDB ChEMBL
98652,CC1CC2[NH2+]CCC(C(F)(F)F)C2C1C,0,GDB ChEMBL
236726,NC(=O)NC1CCC(S(N)(=O)=O)C1,1,GDB ChEMBL
382497,C[NH2+]CC1(CO)NCC([NH3+])C1C,0,GDB ChEMBL
278833,CCCc1c(N)cc(O)c2nsc(C)c12,0,GDB ChEMBL
171296,CC1CC2CCC3(CCC3)CC2CO1,0,GDB ChEMBL
153693,Cc1cc(F)c(N2CC(C)C2(C)C)cn1,1,GDB ChEMBL
8728,CC1CC2CCCC3OCC2CC13,0,GDB ChEMBL
382620,C[NH2+]C1C(O)C(C[NH3+])OC1(C)C(C)C(C)C,0,GDB ChEMBL
132719,CCC#CC(C)(OC)C1CCCCC1,1,GDB ChEMBL
316271,CC1(C)CC(CS(C)(=O)=O)C2(O)C[NH2+]C1C2,0,GDB ChEMBL
332397,N#Cc1cnc(CCC(=O)CCO)c(I)c1O,1,GDB ChEMBL
200725,CCC(O)C1C(=O)C(=O)[N-]C1C#N,0,GDB ChEMBL
151079,C#CCC(C)C(C#N)N=C(COC)NCC[NH3+],0,GDB ChEMBL
300575,CC1(C)CCCC2=CC=CC=CC=CCC21,0,GDB ChEMBL
200744,C#CC1C2CC(C)(CCC)C1C1CCC2[NH+]1C,0,GDB ChEMBL
289429,NC(=O)N1C(=O)c2sccc2S1(=O)=O,0,GDB ChEMBL
182901,CCCC(O)C(CC(OC)C(N)=[NH2+])C([NH3+])CO,0,GDB ChEMBL
202486,CCC1(C)C2Cc3cccc4c3C(CO4)N21,0,GDB ChEMBL
113592,CC(C)(C)OCC1CC2CC=CC2C1O,0,GDB ChEMBL
240007,CCC12CC(c3cc(Cl)ccc31)C1CC12,0,GDB ChEMBL
377340,[NH3+]CCNS(=O)(=O)CCn1ncnn1,1,GDB ChEMBL
177266,C[NH2+]CC(O)(CC(C)OC)C(=O)C(=O)[O-],0,GDB ChEMBL
204407,CCCCC12C(C)CC(C)(O)C1C2(C)[NH3+],0,GDB ChEMBL
289269,[NH3+]C1(COC(=O)CS(=O)(=O)[O-])CC1,0,GDB ChEMBL
204528,CCCC(COC)c1ccc(Br)c(=O)[nH]1,1,GDB ChEMBL
5874,CC#CC#CC1CC([NH3+])CC1C(N)=O,0,GDB ChEMBL
99089,CCCOCc1cc(Br)cc(C)c1C(C)C,1,GDB ChEMBL
16739,NCC1(N)C(=[NH2+])NCC1CC(=O)[O-],0,GDB ChEMBL
281689,C#Cc1nc(C(=O)[O-])[nH]c1C[NH2+]CCC(=O)[O-],0,GDB ChEMBL
347997,CCc1c(Br)cccc1C1CCC(C)CC1,1,GDB ChEMBL
88154,CNC(=O)C12CC([NH3+])(CNC(=[NH2+])O1)CC2C,0,GDB ChEMBL
71964,C#CC1CCC2CCCC(C)(C)CC2[NH2+]1,0,GDB ChEMBL
354376,CCC12CC(C(C)C)[NH+](C1)C1CCC[NH2+]CC12,0,GDB ChEMBL
363583,NC1=[NH+]CC[NH2+]CCOCC1CC=O,0,GDB ChEMBL
308204,COC1CC(C[NH3+])C2C(CC#N)C(=O)OC12,0,GDB ChEMBL
66194,COCCC1CC2OC(=O)C1(CCO)CC2O,0,GDB ChEMBL
255099,CS(=O)(=O)NCCC(N)C(=O)OC=N,1,GDB ChEMBL
96085,C#CC1(COC)CCC(C(C)CCC(N)=O)[NH2+]1,0,GDB ChEMBL
237987,COC1C=C(C)C2OC(C)CC(=O)OC12,0,GDB ChEMBL
845,CCc1cc2cccc(C(C)[NH3+])c2s1,0,GDB ChEMBL
37310,CCCC1CCC=C(C)C(C)(C)CC1C,0,GDB ChEMBL
132234,C[NH2+]C(C)CC(CO)CCC1C[NH2+]1,0,GDB ChEMBL
17521,CCCC1CC(C)CC(C(CC)CC)C1,1,GDB ChEMBL
21722,CCC1CC(C)=CC2CCC1C(C)C2,0,GDB ChEMBL
264921,CC(O)CC1C(=O)OC(C(N)=O)C1=NO,0,GDB ChEMBL
41033,CN(C)C=[NH+]c1cc(Cl)c(CCC[NH3+])cc1N,0,GDB ChEMBL
99435,Cn1ccc(C(CO)C(=O)[O-])nc1=O,0,GDB ChEMBL
140322,CC(C)N(C)c1cc(F)ccn1,1,GDB ChEMBL
304845,O=C([O-])C1NS(=O)(=O)C2CC3(CO3)C1C2O,0,GDB ChEMBL
9706,[NH3+]CC1CNCC([NH3+])CO1,0,GDB ChEMBL
64662,CCC1(C)C[NH+]2CCCC2(CNCC[NH3+])CO1,0,GDB ChEMBL
385643,O=C([O-])C1CCCC2C[NH2+]C1C1CC[NH2+]C21,0,GDB ChEMBL
47684,C#CCC1(C)C[NH2+]CC1C(CCC(C)C)[NH2+]C,0,GDB ChEMBL
164680,CC(O)CCc1nccc2c1CCO2,1,GDB ChEMBL
94867,C=CCC1CC2CC(O)C(=O)C2[NH2+]1,0,GDB ChEMBL
233455,C#CC1[NH2+]CC(Cc2ccco2)C(C)C1(C)C,0,GDB ChEMBL
81077,CC1(O)Cc2ccsc2CC1C[NH+]1CCCC1,0,GDB ChEMBL
155765,CC1[NH2+]CCCC12C(C)C2C,0,GDB ChEMBL
210429,C#CCc1cc(F)c2c(c1)CC(C)CC2,1,GDB ChEMBL
273954,CCCc1c(CC)c(=O)ccn2ccnc12,0,GDB ChEMBL
47349,COCC[NH2+]CC1(S(=O)(=O)[N-]C=O)CCC1,0,GDB ChEMBL
281047,COCC1(O)CC2C([NH3+])CCC2[NH2+]C1C,0,GDB ChEMBL
19420,CC1OCC2C(C(N)=O)N2C1C,0,GDB ChEMBL
24241,CC1CCC(=O)N(C)C=CCC1C[NH3+],0,GDB ChEMBL
251941,C#CCNc1cc(C=O)c(N(C)C)c(C)c1Br,1,GDB ChEMBL
132294,CCC1(CO)OCC(C(C[NH3+])C(N)=O)NC1=O,0,GDB ChEMBL
22053,Cc1cn(C)c(=NC2(CC(=O)[O-])COC2)s1,0,GDB ChEMBL
65643,CC1CC1C1C(C)[NH2+]CC1(C)C,0,GDB ChEMBL
160369,CCCc1cc(Cl)c2c(c1)CC=CCC2,1,GDB ChEMBL
169507,CC1C2CC([NH3+])CNC1C(C#N)C2,0,GDB ChEMBL
71294,OC1C[NH+]2CCCCC12,0,GDB ChEMBL
77524,CC[NH2+]C1(C)CCC2=CCC(C)C21,0,GDB ChEMBL
362826,NC1CC(C(O)C2CO2)OC1=O,1,GDB ChEMBL
4822,N#CCC(N)CC(=O)Nc1ncn(C(N)=O)n1,1,GDB ChEMBL
311025,CCOC1C([NH3+])CN(C)CC12CC2,0,GDB ChEMBL
223562,CC1CCC(CC([NH2+]C2(C)CC2)C(N)=O)C1,0,GDB ChEMBL
339936,COC1(C#N)C(CC[NH3+])C1(C)O,0,GDB ChEMBL
136552,CC1CC2NC(C)C(CC2[NH3+])O1,0,GDB ChEMBL
267343,C#Cc1cc(C)c(CCCCCCC)cc1Br,1,GDB ChEMBL
312186,O=COC1C[NH2+]CCC2C(O)CC(CO)CC12,0,GDB ChEMBL
95175,CCC(C(N)C(=O)OC)S(=O)(=O)[O-],0,GDB ChEMBL
151143,C=CC12CC(C=C1COC)NC2=O,0,GDB ChEMBL
191700,C#CC1CC(C)C1(O)CC[NH+](C)CC(=O)[O-],0,GDB ChEMBL
276032,COC1C[NH2+]C2C([NH3+])C(C(=O)[O-])CC12,0,GDB ChEMBL
84587,CCCC(C)C[NH+]1CCCC1(C)CCCC=O,0,GDB ChEMBL
255156,CN1C(=O)NC2C(C#N)C1C1CC([NH3+])C2CO1,0,GDB ChEMBL
225359,Cc1c(F)ccc(NCC2CC[NH+]2C)c1C,1,GDB ChEMBL
81029,C#CC(C)(O)CNC(=O)Nc1cc[nH]c1C,1,GDB ChEMBL
317164,Cc1c(F)cc(C2CC2)c(O)c1F,1,GDB ChEMBL
66677,C[NH2+]C1CC1NC(C)CC#N,0,GDB ChEMBL
40437,C#CC1C(O)C2[NH2+]C(CC2CO)CC1(C)O,0,GDB ChEMBL
169511,C#CC1=CC(C)C(CC)C1CCC(C)C,0,GDB ChEMBL
254265,C[NH2+]Cc1cnccc1Cc1ccccc1N,0,GDB ChEMBL
242927,N=C(NCC=O)NC(=O)Cn1ncnn1,1,GDB ChEMBL
98606,C[NH2+]C(C(C)=CCC[NH3+])C(C)(C)C,0,GDB ChEMBL
29492,CCCC(C)C1C2CC(C1C)C(C)(C(C)C)C2,0,GDB ChEMBL
161050,CC1(C)CC2(C1)[NH2+]CCCN(CC#N)C2=O,0,GDB ChEMBL
365697,COC1C2CC(C(N)=O)C1C(=N)O2,0,GDB ChEMBL
46005,C#CCC(C)=CC(C)C(C)CCC,1,GDB ChEMBL
398950,CC1OC12CCOCCOC2=O,1,GDB ChEMBL
247328,[NH2+]=C1CC(CC(=O)[O-])N1,0,GDB ChEMBL
121083,CC1=CC(C[NH3+])c2cc(Br)cc(C)c2C1,0,GDB ChEMBL
292681,CNC(C#N)(C(=O)[O-])C(C)(O)C(=O)C(C)[NH2+]C,0,GDB ChEMBL
246396,CC1(C)CC(=O)NC(=N)N1C(N)=[NH2+],0,GDB ChEMBL
276170,CC1CCC2C1N(C(C)(C)C)CC1CC[NH+]2C1,0,GDB ChEMBL
135437,COCC(=O)N1CC1C(O)C(O)C(C)[NH3+],0,GDB ChEMBL
31366,Cc1cc(Cl)ccc1CC(F)(F)F,1,GDB ChEMBL
292685,CC12C=CC(O)(C(=O)N(CCO)C1)C2O,0,GDB ChEMBL
281191,CC1=CC2C(C)OCC2(C)CC(O)CC1,0,GDB ChEMBL
18382,Nc1ncc(C2NC2CO)s1,0,GDB ChEMBL
236567,CN(CC#N)C(=O)C1C(C[NH3+])NS1(=O)=O,1,GDB ChEMBL
47789,CC(=O)Nc1c[nH]c(NS(C)(=O)=O)c1O,1,GDB ChEMBL
3797,CNC(=O)C1C(O)CN1C(C)=[NH2+],0,GDB ChEMBL
83080,CC1=CC2(CC1)CCC(CC(C)C)CC2,1,GDB ChEMBL
221917,CC(=O)OC(CNC=O)c1nc(N)nc(O)n1,1,GDB ChEMBL
122993,CCC1C[NH+](C)CC(C)C12OC(C)C2[NH3+],0,GDB ChEMBL
201001,CC1C=CC(CCCC(C)(C)O)CC1C,1,GDB ChEMBL
335462,CCOC1C2CC(CCCOC2C)C1OC,0,GDB ChEMBL
77056,COCC(CC#N)NS(=O)(=O)C(CN)C[NH3+],1,GDB ChEMBL
348832,NC(=O)CCCC(=O)CO,1,GDB ChEMBL
325728,CCC#Cc1cnc2ccc(CC)cc2n1,1,GDB ChEMBL
339111,c1csc(CC2CCO2)c1,1,GDB ChEMBL
185937,NC(C[NH3+])C([NH3+])C=CNC(=O)CO,0,GDB ChEMBL
239356,C#CCC(C=O)Cc1sc(CCC)cc1C#C,1,GDB ChEMBL
361808,O=C([O-])C1C(O)C1CCO,0,GDB ChEMBL
251044,COc1cc2c(c(C)c1F)COC(C)C2,1,GDB ChEMBL
190076,CC(CO)C([NH+]=C1CCC(CN)N1)C(C)(C)C,0,GDB ChEMBL
284412,Nc1cc(=O)ccc2c1CC[NH2+]C2,0,GDB ChEMBL
379679,CC(=O)N1C(C=O)C1(CO)C(C)C,0,GDB ChEMBL
379420,CC1C(C(N)=O)NS(=O)(=O)C2OC2C1O,0,GDB ChEMBL
161410,CC[NH+]=C(N)Nc1nc(C(N)=O)[nH]c(=O)c1C,0,GDB ChEMBL
44576,CCC1(NC(C=O)C[NH2+]C)CC1,0,GDB ChEMBL
322929,CCNS(=O)(=O)CCOCC(=O)C1(O)CC1,1,GDB ChEMBL
346868,CC1CN(C=O)C=NC1CC(N)=O,0,GDB ChEMBL
304096,CNC(=O)C1C([NH3+])CC([NH3+])C1N,0,GDB ChEMBL
254953,CC[NH+]1CC(O)(C(C)C)CN2CC1C2,0,GDB ChEMBL
61706,CN1CC(=O)NC=CC(N)(C#N)C1=O,1,GDB ChEMBL
59569,CCCC1CC(OC)C(COC)(C(N)=O)CO1,0,GDB ChEMBL
23498,C[NH2+]C1C2CC(O)(C(N)=O)C1S(=O)(=O)N2,0,GDB ChEMBL
67567,CC#CC1c2cc(Br)ccc2C(=O)C1C,0,GDB ChEMBL
292954,CNC(=O)CC1=NCCC(O)C([NH3+])C(O)CO1,0,GDB ChEMBL
394870,CCC(C)CC(C)n1ccc(C[NH3+])c1,0,GDB ChEMBL
300114,CCC1(C)C[NH+](C)CC2CC2CCC1C,0,GDB ChEMBL
313718,CNC(=O)C1OCC1=O,1,GDB ChEMBL
121133,CC12CCC3[NH2+]C1CCC(C[NH3+])C32,0,GDB ChEMBL
236761,COCC1(CS(C)(=O)=O)CN(C)CC1O,1,GDB ChEMBL
390533,CCC1OCC2CCC21OC(=O)NC,1,GDB ChEMBL
62787,N#C[C-](OC=O)C(=O)NC(=N)N,0,GDB ChEMBL
61674,CC1CC[NH2+]C(C)(C)C1CO,0,GDB ChEMBL
330544,CCc1snc(OC)c1C(=O)[O-],0,GDB ChEMBL
67582,C[NH2+]C1(CN)COCC(C(N)=O)C1C(C)(C)O,0,GDB ChEMBL
67634,C#Cc1ccc(Br)c(Br)c1C(F)(F)F,1,GDB ChEMBL
27964,CC[NH+](C)CC(Cc1c[nH]cc(Br)c1=O)OC,0,GDB ChEMBL
315274,CC1=CC2(CCCCOC1)CCC(=O)O2,0,GDB ChEMBL
384280,CC#Cc1ccc(I)cc1C[NH3+],1,GDB ChEMBL
277959,CC(=O)Nc1[nH]nc2c1CC(N)C(=O)OC2=N,0,GDB ChEMBL
28969,CN=C1NC(=O)C(COC)N1C(N)=O,0,GDB ChEMBL
251403,CCN=c1sc(C)nc(N)c1S(N)(=O)=O,0,GDB ChEMBL
44316,N#CC1NC(C(N)=[NH2+])C(O)CC1N,0,GDB ChEMBL
18375,C[NH2+]C(C)(C)CCC(C)[NH+]1CCC1C,0,GDB ChEMBL
222183,CC1CC2CC3OC3CC1[NH2+]2,0,GDB ChEMBL
320256,C#CC#CC[NH+]1CCC=CCOCC1,0,GDB ChEMBL
274231,C#CC(C([NH3+])C(=O)[O-])C(OC)C(N)C#N,0,GDB ChEMBL
207315,C[NH2+]C1CNS(=O)(=O)C(O)C1CCO,0,GDB ChEMBL
208358,CC#CCC(CC)C1(C)CCCC1C,0,GDB ChEMBL
101023,CCCC(c1c(F)ccnc1CC)C(C)CC,1,GDB ChEMBL
366030,C[NH2+]CC(C)(C1CN1CCC(=O)[O-])S(N)(=O)=O,0,GDB ChEMBL
65884,CCNC1CC(=O)OCOC1=O,1,GDB ChEMBL
19402,CC1[NH2+]C(C(=O)[O-])C(C)(N)C1O,0,GDB ChEMBL
76690,CC1C(NC2CC2)C1(N)C#N,0,GDB ChEMBL
17670,CN(C)C1C(=O)C2CNC1CC2O,0,GDB ChEMBL
337785,CN(C(C#N)CN)S(=O)(=O)CC[NH3+],1,GDB ChEMBL
174155,CCCC(NC(=N)S(N)(=O)=O)C(=O)[O-],0,GDB ChEMBL
176428,CCC[NH+]1CCC2(C)C3CC(CC3COC)C12,0,GDB ChEMBL
234885,CCc1cc(C[NH+](C)C)oc1CO,1,GDB ChEMBL
388432,[NH3+]C1CCC2(CN2)C(=O)NC1,0,GDB ChEMBL
98586,CCC(C(C)=O)C(C)CCC[NH2+]CCC(C)C,0,GDB ChEMBL
47399,C#CC(C[NH2+]C)C(C#N)NC=O,0,GDB ChEMBL
350710,O=C1[N-]S(=O)(=O)CCOCC(CO)O1,0,GDB ChEMBL
215434,COCC1CCCN2CC(=O)C(=O)NC2=N1,0,GDB ChEMBL
320447,CCCCC1(C(O)CC)[NH2+]CCC1C[NH+](C)C,0,GDB ChEMBL
266232,CC(=N)N(CC[NH3+])C(=O)NC(=O)C1CCC1,1,GDB ChEMBL
386581,CCCNc1nc(Br)cc(C)c1C,1,GDB ChEMBL
140783,COC(=NC(C)CCO)C(=O)CO,0,GDB ChEMBL
372557,CC1C(=O)CNC(CO)C1CNC(N)=[NH2+],0,GDB ChEMBL
317723,CCCC(CCC)Cc1cccc(Br)c1C,1,GDB ChEMBL
109510,COC(=O)C1C2N1C(=O)C(O)C2(C)[NH3+],0,GDB ChEMBL
99631,C#CC1(C2COCCC([NH3+])C2)C[NH2+]C1,0,GDB ChEMBL
121120,CCC(C)(C)CCC1COCC1C,1,GDB ChEMBL
124263,[NH3+]C1C(CC(=O)[O-])OC2C([NH3+])C2C1O,0,GDB ChEMBL
210168,NC(=O)COCCC(CCCO)S(=O)(=O)[O-],0,GDB ChEMBL
104460,N=C1NC(C(=O)[O-])COC1C(O)CO,0,GDB ChEMBL
391266,CCN1CCNc2nocc2C1CO,0,GDB ChEMBL
76925,OC1COC2CC[NH2+]C2C(O)C1O,0,GDB ChEMBL
139775,CCC1NC1C#CCCCC[NH3+],0,GDB ChEMBL
317947,COCCn1cnc(CC(C)C)c1,1,GDB ChEMBL
275530,CCC(O)C12C=CC(C1)C2(CCC[NH3+])[NH2+]C,0,GDB ChEMBL
44984,CC[NH+]1CC(C)C2(CCCCOC2)C1,0,GDB ChEMBL
51858,Cc1nnc(N2C(C)C2C(=O)[O-])cc1O,0,GDB ChEMBL
28307,CC1(C)CCCCC2=CCCC1C2,1,GDB ChEMBL
149937,C#CC1CCC(C)C(C(C)(C)C)CCO1,0,GDB ChEMBL
141745,CCC1CCC(C=CC[NH3+])(OC)C1,0,GDB ChEMBL
11376,CC1(O)CC2NC(=O)C(CO)OC(C1)C2[NH3+],0,GDB ChEMBL
289410,CC[NH+]1C2CC3C(CC21)C3C(F)(F)F,0,GDB ChEMBL
233434,C[NH2+]CC1(C)OCC2NC(=[NH2+])CC21,0,GDB ChEMBL
38548,CCC(=O)C(O)C(C#N)C1CC[NH2+]1,0,GDB ChEMBL
258338,CCCC(C)(C)N=C1CCC(=O)N1C(C)CC,0,GDB ChEMBL
79531,Cn1nc(CC([NH3+])C(=O)[O-])cc1OC=N,0,GDB ChEMBL
200565,C1=C(C2CC2)CCC2CCC[NH2+]C2CCC1,0,GDB ChEMBL
204406,C[NH2+]CC1NC(=N)N(C(N)=O)C1C[NH3+],0,GDB ChEMBL
396733,C#CCC(CCC)CC(C)CC1CCCCC1,1,GDB ChEMBL
130400,CCC1(C)CCCC2CC[NH+](CCC1)C2,0,GDB ChEMBL
320297,CCCCCC(=NO)C1C2C[NH2+]C1CN2,0,GDB ChEMBL
124553,C[NH+](C)CC1C2CC2[NH2+]C2CC21,0,GDB ChEMBL
270108,CCC1[NH2+]CCCC2(CC2[NH3+])C1O,0,GDB ChEMBL
304050,C#CCC#CCc1c(F)cncc1F,1,GDB ChEMBL
83536,O=CC1CC1CC(O)CO,1,GDB ChEMBL
57326,CCOC1CC2C([NH3+])C1(O)C2[NH3+],0,GDB ChEMBL
286328,C[NH2+]C1CC1(C)NCC(=O)NC(=N)N,0,GDB ChEMBL
34815,C#CC(C)(C)C(C)(CC)C(C)CCCC,0,GDB ChEMBL
7792,Cc1nc(C)c(C(C)([NH3+])CO)c(N2CC2)n1,0,GDB ChEMBL
53267,Cc1ccc(N)c(Nc2cn[nH]c2)c1C#N,1,GDB ChEMBL
120367,CC1=CCCC=C2C(=O)CCCC12C(N)=O,0,GDB ChEMBL
143516,NC12CCOCCC1([NH3+])C(O)CC2O,0,GDB ChEMBL
16741,C[NH2+]C1C(NCC#N)C1OC,0,GDB ChEMBL
338890,CC1CCC2CCC(CC[NH2+]2)C(=O)CC1C#N,0,GDB ChEMBL
219552,CC(O)C1[NH2+]C(C(O)CCO)C1C=O,0,GDB ChEMBL
20492,C#CC(OCC)C1C(CC)CC(C[NH3+])C1C,0,GDB ChEMBL
85671,CC1CC=C(CO)C1[NH+](C(C)C)C(C)C,0,GDB ChEMBL
381469,C#CC(C#C)(NCCOCC)C(C#N)CC=O,0,GDB ChEMBL
358823,CN1CCC(O)C(OS(N)(=O)=O)C1C#N,1,GDB ChEMBL
130597,NC(=O)C1[NH2+]C2COCC1C2,1,GDB ChEMBL
396749,CN(C)CC(O)(C=O)CC#N,1,GDB ChEMBL
367669,CC(=N)N(C(C)=O)C1=NCC(O)(C(=O)[O-])C1O,0,GDB ChEMBL
305248,CC(O)C(=O)N1CC(n2cnnn2)C1C,1,GDB ChEMBL
35701,CC1CCCCn2ccc(O)c21,1,GDB ChEMBL
200960,CCCCC1C2CC3(C=CCC3)CC12,0,GDB ChEMBL
259509,OC1C[NH2+]C1C1CCCOC1,0,GDB ChEMBL
172354,CCC1CC2C(CC)[NH2+]C1C2C,0,GDB ChEMBL
99138,CS(=O)(=O)N1C(=O)NC2CC(O)CC21,0,GDB ChEMBL
374168,C[NH2+]CC1CN2CC1([NH2+]C)COCCNC2=O,0,GDB ChEMBL
323161,COC(C)CC1(C)CC2CC(C)CC1C2,0,GDB ChEMBL
124289,CC(=O)NCC1(C(=O)[O-])C=CS(=O)(=O)N1,0,GDB ChEMBL
130427,O=C([O-])C1C[NH2+]CCOC1CO,0,GDB ChEMBL
147921,NC1C(O)C(O)C1[NH2+]CCC(=O)[O-],0,GDB ChEMBL
112463,CCC1OC(=O)NC(CO)C1Nc1ncns1,0,GDB ChEMBL
247516,CCc1ccc(NC)c(O)nc(N)oc1CC,0,GDB ChEMBL
47183,CC(C)(C)[NH2+]C1CCCC2(CCCC2)CC1,0,GDB ChEMBL
323179,COc1nc(C(=O)[O-])c(N)n1CC[NH3+],0,GDB ChEMBL
136473,CCOC1CC2C(O)CCC1C2(C)[NH2+]C,0,GDB ChEMBL
292218,CC1(CO)C(OS(N)(=O)=O)CC1C(N)=O,0,GDB ChEMBL
167285,COC1C[NH+](C)CC1C(COC=O)CC(C)[NH3+],0,GDB ChEMBL
16067,CC#CCCOCC1CC1,1,GDB ChEMBL
317343,CCC1C(C)CCC1C(C(C)=O)C(C)(C)CC,0,GDB ChEMBL
93771,CN(C)C(N)=[NH+]CCOC(=N)NC(=O)C[NH3+],0,GDB ChEMBL
276051,CCN(C)C(C#N)C(C)(C)C,1,GDB ChEMBL
35712,NS(=O)(=O)C1CCCCCNC(=O)O1,0,GDB ChEMBL
308162,N=C1NC(=O)C(C(O)C[NH3+])C1NC(N)=O,0,GDB ChEMBL
202812,CCOCC(C#N)C(C[NH3+])C1(C)CCOC1C,0,GDB ChEMBL
349681,NC(=O)c1ccnc(C(N)=O)c([O-])scc1,0,GDB ChEMBL
21715,C[NH2+]CC1C2OC(=O)NC(=O)C2C1(C)O,0,GDB ChEMBL
47728,C[NH+]=C(CNCCCO)N(C)C,1,GDB ChEMBL
41122,C[NH2+]CC1C2C(C(C)O)CN(CC(N)=O)C12,0,GDB ChEMBL
190487,CCOC(=O)C(COC)C1(CO)CCC1,0,GDB ChEMBL
370330,CC(C[NH3+])N(C)S(=O)(=O)C1CC1NC(N)=O,0,GDB ChEMBL
274376,CCCC12CC=CCC(CCC([NH3+])C1)C2,0,GDB ChEMBL
389646,CCCC1(C(C)O)OC(=O)NCC2NC21,0,GDB ChEMBL
234366,Cc1c(N)c(O)ncnc1=O,0,GDB ChEMBL
334459,CCc1c(C(C)[NH+]=CN)cc(C)n1CC,0,GDB ChEMBL
191505,C[NH+]1CC2NC(=O)C(CO)C23CC13,0,GDB ChEMBL
162929,N=c1[nH]ccc(N)c1F,1,GDB ChEMBL
1936,CNC(=O)n1nnc(CC(=O)[O-])n1,0,GDB ChEMBL
227591,C#CC(C[NH3+])NCC,0,GDB ChEMBL
156063,N#CCOCCCCCO,1,GDB ChEMBL
351402,CCOCC(C)[NH+](C)CC(C)C,0,GDB ChEMBL
76109,CC(C)CCc1ccc(Cl)c2cc(Cl)ccc12,1,GDB ChEMBL
144593,COC(=NC(C)C(N)=O)NCC[NH3+],0,GDB ChEMBL
212583,CC[NH+]1CC(O)CC(OC(N)=[NH2+])C1C(C)OC,0,GDB ChEMBL
98574,CNC1C(C#N)NC(=[NH2+])C1(C)N(C)CC(N)=O,0,GDB ChEMBL
75470,COCC1(O)CC(=NO)C2=CC[NH+](C)C21C,0,GDB ChEMBL
207916,NC(=O)C(C1COC(N)=N1)C1C([NH3+])C1O,0,GDB ChEMBL
111476,CC1([NH+]2CC=CCC2)COC1,0,GDB ChEMBL
285070,CCC1C2C3CC[NH+](C3)C(C)C12,0,GDB ChEMBL
99615,C#CC1=CCC(C)CC(CO)CC12CC2,0,GDB ChEMBL
214012,CN1C(=N)C2NCC2(C)OC(=O)NCC1=O,0,GDB ChEMBL
80291,CC(C)(C)CC1=NC(C(=O)C(F)(F)F)CO1,1,GDB ChEMBL
162495,CN(C(=O)C(N)=O)C1C2C(=O)NCC21O,0,GDB ChEMBL
20510,CCCCCOC1C2CCC21,1,GDB ChEMBL
115565,C=CCC1(C)C2C=CC1C(C)C2C,0,GDB ChEMBL
325863,CNCC(N)=[NH+]C(CN)C(N)CC(N)=O,0,GDB ChEMBL
241133,CC[NH+]1CCCCCCC1C,0,GDB ChEMBL
302486,[NH3+]CC1C(C(=O)[O-])C1n1cnnn1,0,GDB ChEMBL
38468,CCC(C)CC=CCCCC1CC1,1,GDB ChEMBL
316168,CNC(=O)C([NH3+])C1(O)C2NC(=O)NC21,0,GDB ChEMBL
118413,Nc1csnc1C1=NCCCC(=O)N1,0,GDB ChEMBL
114782,COCC1C(=O)NC(=O)C1O,0,GDB ChEMBL
150148,CCC(CC)C1([NH2+]C)CC(CC#N)CCC1C,0,GDB ChEMBL
197453,CCC1C2NC(=O)N(C=O)C2C(C)(CO)C1O,0,GDB ChEMBL
18652,CC(C[NH3+])n1nncc1C(N)=[NH2+],0,GDB ChEMBL
41277,COC1C(C#N)C2(C)CC1(O)C(C#N)N2,0,GDB ChEMBL
307485,O=CC1NC(=O)CC2C(O)C1NS2(=O)=O,0,GDB ChEMBL
290262,O=C1CC(=O)C(O)CNC(=O)N1,1,GDB ChEMBL
180785,OCC1(C(F)(F)F)CC=CC1,1,GDB ChEMBL
38874,CC[NH2+]CC1CCC(C)(O)C1,0,GDB ChEMBL
394893,CCCC1(C)C2=CCC1C(C)C=CCC=C2,0,GDB ChEMBL
399003,Cc1ccc2c(c1)C(C)(C)CC1[NH2+]CC21,0,GDB ChEMBL
124190,CC1=CCC(N)=[NH+]CCNC(=O)C1,0,GDB ChEMBL
81471,C#CC1C[NH+](CC)C(CC(C)C)CC1C(C)O,0,GDB ChEMBL
203807,CC12C=CC([NH2+]CCC1)C2CO,0,GDB ChEMBL
54833,NC(=O)CNC(=[NH2+])C(N)C(O)CO,0,GDB ChEMBL
334661,CCC(CC)Oc1c[nH]c(C)cc1=O,1,GDB ChEMBL
155137,C#CC(C)(C=O)C1C=CCCCCC1C,0,GDB ChEMBL
274857,CNC1=[NH+]CC(C(OC)C(CO)C(C)=O)CO1,0,GDB ChEMBL
97743,CCc1c(C)cccc1C12CCC(CC1)C2,1,GDB ChEMBL
301388,C[NH+]1CCC2CC(=O)C(O)(CO2)C1,0,GDB ChEMBL
47993,CC[NH+]=CNc1ccnc(C(C#N)C=O)c1C,0,GDB ChEMBL
67362,COCC(C)NS(=O)(=O)C(C)C1CC1,1,GDB ChEMBL
258723,CCCCCC(O)CCC#CCC(C)C,1,GDB ChEMBL
349463,CC(O)CCCCC1(C)CC1C,1,GDB ChEMBL
221721,COc1cc(C)c(CNC2C[NH2+]C2)oc1=O,0,GDB ChEMBL
234474,CC(C)CC1C(N(C)C)=[NH+]CC(=O)C1(C)C,0,GDB ChEMBL
274199,O=CCCC(O)C(O)C1CC1,1,GDB ChEMBL
139794,C[NH2+]C1(C)CC2CC([NH3+])C(O)CC1N2C(C)=O,0,GDB ChEMBL
281035,CC(C)(C)CCC1CC2CC[NH+](C1)CC2(C)C,0,GDB ChEMBL
126623,C#CC1(C(C)CC(C)CCC)CCCCCC1,1,GDB ChEMBL
107045,CC1(CC#N)C(O)C2CCC1(O)CC(=O)N2,0,GDB ChEMBL
389066,[NH3+]C1C2COC(C(O)CO)CC12,0,GDB ChEMBL
379718,C#Cc1c(Br)c(Br)nc(C)c1CCCC,1,GDB ChEMBL
358159,COC1C2=NCCCN2C1(C)C(N)=O,0,GDB ChEMBL
177188,[NH3+]CCOC1CCOC1C[NH3+],0,GDB ChEMBL
134437,COCCC1CCC2C(=O)C=CC2(O)C1,0,GDB ChEMBL
15529,CC1CC(C)(C)c2ccc(Br)c(CCC[NH3+])c21,0,GDB ChEMBL
54092,CC1NC(C(N)=O)C(O)C(C(N)=[NH2+])NC1C#N,0,GDB ChEMBL
239329,CC1CCCC2CC[NH2+]C(C)(C1)C2C(C)C,0,GDB ChEMBL
333854,CC1CCCCC2=CCC(C#N)C21,0,GDB ChEMBL
259579,CCCN1C2CC(O)C(O)CC21,0,GDB ChEMBL
372571,C#CC(C)C1(CC)CC(C(C)C)[NH+](C)C1,0,GDB ChEMBL
380609,Cc1ncc(C2(C)CC2)o1,1,GDB ChEMBL
325232,CC(CO)NC(=O)NCS(=O)(=O)[O-],0,GDB ChEMBL
354858,CCCC12CCOC1=Nc1ccc(C)cc1N2,0,GDB ChEMBL
147405,CC([NH3+])C1CCC2=CCCCC21,0,GDB ChEMBL
168410,C#CC1(C#C)OCC(C)CC([NH3+])C1C(C)O,0,GDB ChEMBL
301504,CC[NH+](C)C1(C)C(=O)C2CC1CO2,0,GDB ChEMBL
175863,Cc1ccc(OCC(C)O)n2ncc(CO)c12,0,GDB ChEMBL
118178,CCC1(C)CCC(C)(C)CC1C1CCC(C)C1,0,GDB ChEMBL
68480,CC(C([NH3+])C(N)=O)C1(C#N)OC1CC[NH3+],0,GDB ChEMBL
252704,CCC#CCC1CCC(O)C1C,1,GDB ChEMBL
326475,CC1CCCC2CCC(C)(C1)C2,1,GDB ChEMBL
34397,C[NH+]1CC(C)(C)CCC1(C)CC(C#N)CC[NH3+],0,GDB ChEMBL
173682,CC1(CC(=O)[O-])OCCn2nncc21,1,GDB ChEMBL
375892,C#CC12CCCCCC(C(C)O1)C(CC)C2C,0,GDB ChEMBL
362392,C#Cc1cc(F)cc2c1CCCC(C)=C2,0,GDB ChEMBL
331761,CCC1CC(OC)C(O)C1(C)C,1,GDB ChEMBL
190039,N#Cc1nnc(OCC(N)=O)c(Cl)c1O,1,GDB ChEMBL
254257,COC1C2CC(C(=O)[O-])[NH2+]C1C(C)([NH3+])C2,0,GDB ChEMBL
271788,C#CCC(=O)c1cccn1C,1,GDB ChEMBL
198683,CC1(S(C)(=O)=O)CCCC1,1,GDB ChEMBL
115196,NC(=[NH2+])Nc1cscc1CO,0,GDB ChEMBL
398756,COCC1CC(C(CC[NH3+])C(N)=[NH2+])=CCO1,0,GDB ChEMBL
244495,CC1(C(N)=O)C(=O)CC[NH+]=C1N,0,GDB ChEMBL
119845,CC1(O)C2CC[NH2+]C1C(N)(C(=O)[O-])C2O,0,GDB ChEMBL
48066,NC(N)=[NH+]C1CN=COCCCNC(=O)NC1,0,GDB ChEMBL
120725,O=C1OCC=CCN2CC12,1,GDB ChEMBL
19600,COC1C([NH3+])(CO)C=C(C)C1(C#N)C(N)=O,0,GDB ChEMBL
392228,O=CC1=C(CO)C[NH+]2CCCCC(O)C2C1,0,GDB ChEMBL
118366,C1C[NH+](CC2CC23COC3)C1,0,GDB ChEMBL
251415,C#CCN(CC(C#N)C(C)(C)[NH3+])C(C)(C)C,0,GDB ChEMBL
42571,[NH3+]CCCOC1C2C3CNC(C(=O)N3)C12O,0,GDB ChEMBL
347850,C#CCCC(C)CC1C=CCC(C)(C)CC1,0,GDB ChEMBL
144536,CC(O)CCC1C(C)C(C)C2CC12,1,GDB ChEMBL
358564,Cc1ccc(Cl)c(N)c1C(C)[NH3+],0,GDB ChEMBL
155764,N#CC1CC2([NH3+])CN1C2CO,0,GDB ChEMBL
17555,CCCCC12C[NH+](CCC)C(C)(C1)C2,0,GDB ChEMBL
242959,Clc1cccc2c1CCC#CCC[NH2+]C2,0,GDB ChEMBL
387311,OC1C=CC2CC3(O)CC(C1)[NH+]2C3,0,GDB ChEMBL
70142,CC(=[NH2+])N(C)C=NC(C(=O)[O-])C1CO1,0,GDB ChEMBL
112654,CC[NH+]1CC2CC(CC=O)CC1C2C,0,GDB ChEMBL
76941,CCc1sc(C#N)cc1C[NH3+],0,GDB ChEMBL
113559,CC([NH3+])C1CN(C=O)C(C)CO1,0,GDB ChEMBL
363794,CCC[NH2+]C1CCC2C(CC)N2CCOC1,0,GDB ChEMBL
174692,Oc1cncc(Cl)c1C1C[NH2+]C2CC1C2,0,GDB ChEMBL
183456,CC(C)CC1C(C)C(C)(CO)CC1(C)C,0,GDB ChEMBL
106628,N#C[C-]1C(=O)OC(CO)C(O)C1=O,0,GDB ChEMBL
286159,CCC(C)C1CCC2(C)OC2C1[NH3+],0,GDB ChEMBL
9917,O=CC1C(=O)NC(C(=O)[O-])C1O,0,GDB ChEMBL
195266,C[NH2+]C(CO)C1CC2(CC[NH2+]C2(C)CN)CO1,0,GDB ChEMBL
248641,CCNC(=[NH2+])C(C)(C)NC(=O)NC,0,GDB ChEMBL
68676,COC(=O)C(CS(N)(=O)=O)=N[O-],0,GDB ChEMBL
264942,CCC1C(=O)OCCN1C(CO)C(F)(F)F,0,GDB ChEMBL
66649,CCCCCC1(C)C2CCC(C)CC21,0,GDB ChEMBL
138336,NC(=O)C(=O)CNCC(=O)[O-],1,GDB ChEMBL
129379,CCCC1NC2CNC2(C#N)C1=O,0,GDB ChEMBL
201153,COC1CC2C(CO)C2C1O,1,GDB ChEMBL
77008,CC(O)CN1CC1(C)C1CCOC1,0,GDB ChEMBL
315192,Cc1cnc2n1CC(C)C1(C)CC2C(CN)[NH2+]1,0,GDB ChEMBL
395128,CC1CCC=CC2CCC1C2CCO,0,GDB ChEMBL
120665,CC(=O)N(CC[NH3+])C(C)(CO)C(=O)[O-],0,GDB ChEMBL
199419,C[NH+]1CC=CC(C)(C)C2CC21,0,GDB ChEMBL
20549,CC1(O)C[NH2+]C(C(=O)[O-])C1C1CC1O,0,GDB ChEMBL
387302,CC(C[NH3+])NCC1OC(=O)[N-]C(=O)O1,0,GDB ChEMBL
317950,CC1C2CC3C1CC(=O)CC2[NH+]3C,0,GDB ChEMBL
366491,C=C(C)C1([NH3+])CC(=O)NC1CC[NH3+],0,GDB ChEMBL
252745,NC(=O)C1C(=O)CC=CC1O,1,GDB ChEMBL
225074,C=CCCCCC(C)CC1CCC1,1,GDB ChEMBL
288102,CNc1nc[nH]c1C(=O)C(CO)NC,1,GDB ChEMBL
318505,CCC1C=C(C[NH3+])C(CO)C1,0,GDB ChEMBL
389427,CCc1c(CO)c(C=O)cn1CC(C)(C)O,1,GDB ChEMBL
186042,COC(CS(N)(=O)=O)C1C(O)C(=O)N2CC12,0,GDB ChEMBL
334781,CCCCCCC1CC(C)C1(C)[NH3+],0,GDB ChEMBL
221334,CC(=O)N(C)C(C#N)C(N)=[NH2+],0,GDB ChEMBL
280277,CN1C(=O)COC2(C)CC(C2)OC1=O,1,GDB ChEMBL
152052,CCC(C)C1C(=O)OCC(C(C)OC)C1CC,0,GDB ChEMBL
77286,C=CCC(=CCO)C1C[NH2+]CCO1,0,GDB ChEMBL
289449,CC(CC(=O)[O-])C(N)=[NH+]c1cnncn1,0,GDB ChEMBL
311010,CC1C(NC(N)=O)C=C2C=CCC21,0,GDB ChEMBL
67374,CNC(=[NH2+])N1C(C(N)=O)C1(C)C(C)O,0,GDB ChEMBL
271855,CCCCCC1C(C)(CC)CCC1(CC)CC,0,GDB ChEMBL
205914,CCOC(=O)COC=O,1,GDB ChEMBL
216588,CC12CC(C)(C)N3C(CC1C(=O)[O-])C32,0,GDB ChEMBL
356520,CC1Cc2scc(NC(N)=O)c2CO1,1,GDB ChEMBL
204345,CC1CC2CCCCC23C(=O)OCC13,0,GDB ChEMBL
362991,Cc1cccc2c3c(nc(O)c13)c(F)cn2C,0,GDB ChEMBL
33300,N#C[C-](C#N)C(N)=NCC1CCO1,0,GDB ChEMBL
8722,CC1N=C(N)OC(CO)C1(C#N)C(N)=O,0,GDB ChEMBL
179455,CCNC(=O)OC(C=O)C(N)=[NH2+],0,GDB ChEMBL
26067,COC(CCc1ncon1)C(=O)[O-],0,GDB ChEMBL
142925,CCc1occc1CC(C)C,1,GDB ChEMBL
44612,N#Cc1cnc(OC=O)c(C(N)=O)n1,1,GDB ChEMBL
156200,CC1NC(=O)C(C=O)C1C,1,GDB ChEMBL
133198,CCC1C=CCCC1C1CC1C[NH3+],0,GDB ChEMBL
34891,C[NH2+]C(C)CC(O)C1OC(=O)C(OC)OC1C,0,GDB ChEMBL
59229,CCC1C[NH+]=C(C)N(C)C(C)C1(C)C(C)OC,0,GDB ChEMBL
185331,CC(C)n1c(CC[NH3+])ncc([O-])c1=O,0,GDB ChEMBL
81607,CCCc1c(OC)c(C=O)cn1C,1,GDB ChEMBL
193754,CCC(C)(C)CC1CC1C(C)O,1,GDB ChEMBL
85840,CCCC1(C(C)CC)CCCCC1CCC[NH3+],0,GDB ChEMBL
225228,N#CCCN(C=O)C(=O)c1ncoc1C#N,1,GDB ChEMBL
177341,Brc1ccc2c3c1CCCC3CC2,1,GDB ChEMBL
354082,C[NH+]=C(NC(C)C)OCC(=O)OC1COC1,0,GDB ChEMBL
26908,CCc1ccc(CC2OCCO2)c(Cl)c1,1,GDB ChEMBL
377015,N#CC1C(O)C1NC(C[NH3+])CO,0,GDB ChEMBL
28293,CC(=O)NC1=CC([NH3+])CCCC1(C)C(C)C,0,GDB ChEMBL
274921,CCC(C)C(=O)NC1=NC(C)CC([NH2+]C)C1,0,GDB ChEMBL
330376,CC[NH+]=C(N)C1CN(CCO)C1,0,GDB ChEMBL
28179,C#CC(C)c1c(C)ccc(NCC)c1Br,1,GDB ChEMBL
223293,C[NH2+]CC(O)CC([NH3+])(CO)C(O)CO,0,GDB ChEMBL
216580,Ic1cccc2ccc(CC3CC3)c(I)c12,1,GDB ChEMBL
127920,CNC(=O)C[NH2+]CC1=CCCOC(C)C1,0,GDB ChEMBL
312532,O=C1CC2CC(=O)C1C2O,1,GDB ChEMBL
391338,CCCC#CCCOC=O,1,GDB ChEMBL
369872,COC(=O)CC1=C(CO)C[NH2+]CCC1,0,GDB ChEMBL
221656,NC(=[NH2+])C1(C[NH2+]CC2CCC2)CNC1,0,GDB ChEMBL
270059,C=CC(CO)C1C2NC(=O)C([NH3+])C21,0,GDB ChEMBL
77273,CCCC1(CO)C2CC(C)CC(C)C21,1,GDB ChEMBL
368204,C=CCOc1ncc(NC)n1CC,1,GDB ChEMBL
380578,CC#CC#CCCc1cc(C)c(C)cc1Br,1,GDB ChEMBL
79383,NC(=O)C(C[NH3+])N(C=O)CCO,1,GDB ChEMBL
285773,CC1CCC(C)(C23CCCC(CCC2)C3)CC1,0,GDB ChEMBL
88179,CC1N=C(C(C)C(=O)[O-])NC(=O)CCNC1=[NH2+],0,GDB ChEMBL
101054,C[NH+](C)C(CCNC=O)CC(=O)c1c[n-]nn1,0,GDB ChEMBL
190302,CCC(C)(C(C)C)C1CC(C)CC1C,0,GDB ChEMBL
204386,CCOC(C)(C[NH3+])CC(OC)C(C)[NH3+],0,GDB ChEMBL
269373,C#CC1(O)C(=O)CCC1[NH2+]CC,0,GDB ChEMBL
144556,CC1=C2COCCC2(C(C)C)CCC1,0,GDB ChEMBL
385653,COC(=O)C#CCC(C)OC,1,GDB ChEMBL
204372,CC1C2C[NH2+]C(C)(C)C(C(=O)O2)C1CO,0,GDB ChEMBL
89384,CC(C#N)C#Cc1ncccc1C(C)[NH3+],0,GDB ChEMBL
210945,Cn1nncc1C1(CO)CC(NC(N)=[NH2+])C1,0,GDB ChEMBL
228837,Cc1c[nH+]c2n1C1CC(C)(CC(C)[NH3+])CC1C2,0,GDB ChEMBL
128263,CC(=O)OC1OC2CCC(NCC#N)C1(O)C2,0,GDB ChEMBL
81536,CC=C(C)C(C)(CCC)C1CC1C,0,GDB ChEMBL
27770,CCC1CCC=CCCC(C)=C(C)C1,0,GDB ChEMBL
241100,NC(=[NH2+])C1NC12CCOC2C([NH3+])C(=O)[O-],0,GDB ChEMBL
273448,[NH3+]C(CO)CC(O)C1C=CCC(CO)C1,0,GDB ChEMBL
67620,CC(=O)c1onc2c(Br)c(CN(C)C)ccc12,1,GDB ChEMBL
175510,C#CCC1CCCC1C(C)C(C)[NH3+],0,GDB ChEMBL
354806,CC1(CC(=O)[O-])CN(C(N)=O)C1,1,GDB ChEMBL
280834,CCC1CCN(CCC[NH3+])C(CC[NH3+])C1C#N,0,GDB ChEMBL
394270,CC([NH3+])C(O)C1C(C[NH3+])C(=O)NC(=N)N1C,0,GDB ChEMBL
273451,C#CC(C#C)c1cc(O)c(I)c(CCCC)c1,0,GDB ChEMBL
333661,O=Cc1cc(NC(=O)NCCO)ns1,1,GDB ChEMBL
233432,Cc1cnc(N(C)C=N)cn1,1,GDB ChEMBL
4827,CN(c1cc(CCC(=O)[O-])cs1)S(C)(=O)=O,1,GDB ChEMBL
331194,CC1=CCOCC([NH2+]CCN)C1,0,GDB ChEMBL
64286,C#CCC1(OC)CC2CCCC2(C)C1CCC,1,GDB ChEMBL
70334,CC#CCCC(CC)C(F)(F)F,1,GDB ChEMBL
193740,CC(C)N1CC(C2CC2)=CC1=O,1,GDB ChEMBL
254945,COC(=O)N1C(=N)C2Cn3nncc3CC21,0,GDB ChEMBL
46012,CC(C)C1(CC2=CC(=O)NC2=O)CCC1,0,GDB ChEMBL
87071,CC1OCC2C(C)C2CC([NH3+])C1O,0,GDB ChEMBL
33176,CCC1CC2CC(C)(CC)C(C)[NH+]1C2C,0,GDB ChEMBL
281001,CC(=O)OC1C2=CCC(C#N)C2=CC1C[NH3+],0,GDB ChEMBL
102307,CS(=O)(=O)NC1C(O)C(O)C2NC(=[NH2+])CC21,0,GDB ChEMBL
99818,NS(=O)(=O)CC(O)C(O)C1OCC(=O)O1,0,GDB ChEMBL
387223,CS(=O)(=O)NCC(NC=[NH2+])C(N)CO,0,GDB ChEMBL
334707,CC(C)COC(=O)CN(C(N)=[NH2+])c1cnoc1,0,GDB ChEMBL
148362,CC1C2=CCCC2[NH+](CC(C)(C)C)C1C,0,GDB ChEMBL
34870,C#CCNC(C#C)CC(=O)OC,1,GDB ChEMBL
17552,NC(=O)C1COC(=O)OC1,1,GDB ChEMBL
157513,CC1=CC2CC[NH+](C1)C2C(C)C,0,GDB ChEMBL
172369,CCCCC1(n2cccc2O)CCC(O)CC1,0,GDB ChEMBL
209879,CC12CCC3CC(C1)[NH2+]CC3C2,0,GDB ChEMBL
305570,COC(=O)CNC(=O)Nc1cc(=O)snn1,0,GDB ChEMBL
203516,O=C(C[NH2+]CC1CC1)NC1CC1,1,GDB ChEMBL
133359,COC(=NC(CO)C[NH+](C)C)c1cc(N)on1,0,GDB ChEMBL
114768,C[NH2+]CC1NCS(=O)(=O)[N-]C(=O)C1C[NH3+],0,GDB ChEMBL
190052,CN=C(NCCOCCC(N)=[NH2+])NC(C)=O,0,GDB ChEMBL
378561,C#CC(C#C)(C(C)O)C(C)(CC)C[NH+](C)C,0,GDB ChEMBL
267353,CCOC1(C)CC(C)C2CCC1C2(C)O,1,GDB ChEMBL
189802,NC(=O)C1C2CNC(=O)CS(=O)(=O)N21,0,GDB ChEMBL
292913,CCC(C)(CCO)[NH+]1CC(N(C)C=O)C1,0,GDB ChEMBL
4820,CC1C(C(=O)[O-])NC(=O)C12NC2C#N,0,GDB ChEMBL
362869,COC1CN(C)C(C(O)C#N)C1[NH3+],0,GDB ChEMBL
46870,OCC(O)C[NH2+]C1CN2CC12,0,GDB ChEMBL
41288,CN1C2CC(C#N)(NC(N)=[NH2+])C1CC2=O,0,GDB ChEMBL
127929,CCCC[NH2+]CCOC1C[NH2+]C1,0,GDB ChEMBL
169363,CN=C1CN(CC(N)=O)C(=O)C(C([NH3+])CO)O1,0,GDB ChEMBL
51082,Cn1nncc1Cc1cncnc1O,1,GDB ChEMBL
244556,CCCC1C(O)C2[NH2+]C1C2CO,0,GDB ChEMBL
382973,CN1C=[NH+]C(C(=O)NC(=N)N)C1,1,GDB ChEMBL
318514,Cc1cc2c(cc1Br)CCN2CC(C)(C)C,1,GDB ChEMBL
368513,O=C1CC2OS(=O)(=O)NCC(C(=O)N1)C2O,0,GDB ChEMBL
146901,O=C([O-])C(=O)c1c([O-])cc(=O)[nH]c1C(=O)[O-],0,GDB ChEMBL
280470,CCC1(O)CC(C(C)=O)C(C)(C[NH2+]C)C1,0,GDB ChEMBL
289785,C#CC(C#C)c1cc(C)c(C)c(C)c1CC,0,GDB ChEMBL
81737,CC(C(N)C#N)C(O)[C-](C#N)C(N)=O,0,GDB ChEMBL
398777,OC1CC2CC1C1=CC=CCCCCCC12,0,GDB ChEMBL
93792,CNC=[NH+]c1ccnc(COC)n1,0,GDB ChEMBL
58522,CC#CCCC1CC=CC1O,1,GDB ChEMBL
395981,CC1CC=CC(O)CCOC1C(F)(F)F,1,GDB ChEMBL
273445,CC1CC2NC(=O)C(CC#N)NC(C)C12C,0,GDB ChEMBL
161827,[NH2+]=c1[nH]cc(CC([NH3+])CO)cc1O,0,GDB ChEMBL
215712,CC1(C)OCC(C[NH3+])CC(O)C(CO)O1,0,GDB ChEMBL
59652,COC(N)=Nc1ncccc1F,1,GDB ChEMBL
98893,CCCC1CC(CC)CC(C)(C)CCCC1C,0,GDB ChEMBL
80508,NC(=O)C1CC(C(O)C(N)=O)CO1,1,GDB ChEMBL
99850,CCCN1CCN=C(N)C1=O,1,GDB ChEMBL
62024,CCS(=O)(=O)c1nc(C(N)=O)c(N)s1,1,GDB ChEMBL
140863,N#CC1(C(=O)[O-])NCC([NH3+])C(O)C1N,0,GDB ChEMBL
91188,N=c1n(C(=O)NCC[NH3+])cnn1CCC(=O)[O-],0,GDB ChEMBL
97783,N#CC1CC2C(N1)C2C1CC(C[NH3+])OC1=O,0,GDB ChEMBL
136080,CCN1CC([NH2+]C)C2CCC2(C)CC1=O,0,GDB ChEMBL
6143,CC(=[NH2+])NC1c2c(Cl)ccc(C)c2C([NH3+])C1O,0,GDB ChEMBL
208323,CCCCCC1=CC(O)CCC=C(C)C1,0,GDB ChEMBL
292556,C#CCC1C2CC(CC[NH3+])C1(C)OC(=O)C2C,0,GDB ChEMBL
152571,CCC(=O)C1(CS(=O)(=O)[O-])CC1NC(N)=[NH2+],0,GDB ChEMBL
284408,CC12NC(=N)N(C(=O)CS(C)(=O)=O)C1C2O,0,GDB ChEMBL
334460,CCC(O)C1(NC(N)=[NH2+])C[NH2+]C1,0,GDB ChEMBL
97091,COC1C2C(=[NH2+])NC(C(=O)[O-])C12,0,GDB ChEMBL
385938,C#CC12C[NH2+]C(CC)C(O)C(C)C1CCOC2,0,GDB ChEMBL
16511,COCC(C)[NH2+]C1(C)CC(C)=C(C)C1C=O,0,GDB ChEMBL
77370,CC1CC2CC1CC=CCc1ccccc12,0,GDB ChEMBL
48133,COC(C)(CO)C[NH+]1CCCC1,1,GDB ChEMBL
389031,CCOC1C2CC(C)N(C)C1C2(O)C#N,0,GDB ChEMBL
306397,Cc1cc(F)c2nc1CCOCCOC2(C)C,1,GDB ChEMBL
218783,CCOC(C)C1(C)C(C)C(C)C(C)C1C,0,GDB ChEMBL
45676,C#CC([NH3+])C1COCCC(CO)CCOC1,0,GDB ChEMBL
354380,CCOC(=O)CN1CC2([NH3+])CC1(C)CC2O,0,GDB ChEMBL
109218,CN=C(OC)N1CC=CC1C1CC1C(N)=O,0,GDB ChEMBL
339095,CC1CC=CCC(C#N)[N-]C(=O)CO1,0,GDB ChEMBL
70132,CCCC(CC)CC(C#CCC(C)C)CC,1,GDB ChEMBL
76064,CCC(C)(O)C[NH+]=C(N)CCCC(C)C(C)C,0,GDB ChEMBL
126628,C#CC(C)(C)CC(CCO)CC(C[NH3+])C(C)C,0,GDB ChEMBL
393949,CCCC(C)c1cccc(CC(C)(C)CC)n1,1,GDB ChEMBL
347983,C#CCc1cncc(N2CC2C=O)c1,1,GDB ChEMBL
48093,CCCc1scc(C#N)c1C#N,1,GDB ChEMBL
161972,O=C([O-])C1CC=CC(=O)N1C1(CO)CC1,0,GDB ChEMBL
202048,CC(C[NH3+])NC(C#N)C1CCC[NH2+]1,0,GDB ChEMBL
203482,C#CC1([NH3+])CC(C[NH2+]CC)C(C)(CCC)C1C,0,GDB ChEMBL
312231,COC1C(O)C1[NH2+]CCC[NH3+],0,GDB ChEMBL
288691,CCC(=O)C(O)C(C)(CCOC(C)CC)[NH2+]C,0,GDB ChEMBL
251928,CCn1cc(N(C)C)c(=N)c(CO)n1,0,GDB ChEMBL
167323,CC1C[NH+]2CC=CC1OCC2,0,GDB ChEMBL
1925,OCC1C[NH2+]CC2=CCCC21,0,GDB ChEMBL
284324,C#CC(CC)CC1CC(C)CC1OC,0,GDB ChEMBL
118460,CCC1CC1C(C)CCCC(C)C(F)(F)F,1,GDB ChEMBL
208377,CC[NH+](C)C1CCNC(C#N)CC([NH3+])CC1C,0,GDB ChEMBL
394920,CC(O)C1C(C(N)=O)NC(=O)C1([NH3+])C(C)(C)O,0,GDB ChEMBL
286274,COC1CC=CC1(O)C([NH3+])C(N)=O,0,GDB ChEMBL
96082,COCC(O)C1C(=O)OC1C[NH3+],0,GDB ChEMBL
338934,C[NH+](C)CC1OC(=O)C1(NC=O)C(N)=O,0,GDB ChEMBL
245510,CCC(C)C1Cc2cc(F)cc(C(C)[NH3+])c2N1,0,GDB ChEMBL
229459,CCS(=O)(=O)CC1CCC[NH2+]1,0,GDB ChEMBL
207301,CCc1noc(C(C[NH3+])CO)n1,1,GDB ChEMBL
259672,N#CC1(C2COC(N)=N2)CC(=NO)C(=O)[N-]1,0,GDB ChEMBL
28360,C#CCC([NH3+])(CC)C(=O)N1CC1C(C)(C)C,0,GDB ChEMBL
313306,CCN1C(=O)c2ncc(C)n2C=CC1CO,0,GDB ChEMBL
290326,COC(C[NH3+])C1C2C3CC([NH2+]3)C21,0,GDB ChEMBL
207360,C[NH2+]CCCc1ncoc1C1COC1,0,GDB ChEMBL
73854,CC(C(O)C(N)=O)N1CC1C(N)=O,0,GDB ChEMBL
359188,C#Cc1cc2c(cc1F)NCC(C)C(CC)C2,0,GDB ChEMBL
275548,CCC[NH+]1CC(C)CC2(CC2)CC1(C)C,0,GDB ChEMBL
15568,CC(O)C1OCC([NH3+])C2(O)CC(=O)OC12,0,GDB ChEMBL
107860,[NH3+]CCC1(O)C(O)C([NH3+])C(C[NH3+])C1OCCO,0,GDB ChEMBL
271071,O=S(=O)(CCO)c1c(Br)ccnc1O,0,GDB ChEMBL
150114,N#CC1CCOCC2CCNS(=O)(=O)CC12O,0,GDB ChEMBL
147277,C#CCCC1(C)C=C(C)CCC(C)C(=O)C1,0,GDB ChEMBL
326473,CC12CCCCC1C1CCC2C1,1,GDB ChEMBL
345406,COC1CC([NH3+])C(CO)NCC(=O)NCC1O,0,GDB ChEMBL
312536,C#CC(NC1=[NH+]CCCCC(C)C1C)C(C)=O,0,GDB ChEMBL
113523,CC(C)(C[NH3+])C(O)C1CC[NH2+]1,0,GDB ChEMBL
388276,NC(=[NH2+])CCc1cnc(C(N)=O)s1,0,GDB ChEMBL
142523,CC1(O)CC[NH2+]C1CC[NH3+],0,GDB ChEMBL
157466,CCC1=C(C)CC=CC1C(=O)NC,1,GDB ChEMBL
203117,CC#CCc1cccc(I)c1C1CCC1,1,GDB ChEMBL
162538,C[NH2+]CCn1ccoc1=O,1,GDB ChEMBL
79589,Cc1cc(=O)occnc(C(N)=O)s1,0,GDB ChEMBL
307536,CC(C)C1C(=O)OC(C[NH3+])C(C)(O)C1[NH3+],0,GDB ChEMBL
45019,CNC(=[NH2+])N(C)C(C)(C#N)C#N,0,GDB ChEMBL
215655,CC(C)C1C2CC3CCCCC4CC1C2[NH+]34,0,GDB ChEMBL
290334,[NH3+]CC1C(O)CC2(C(=O)[O-])CCC12,0,GDB ChEMBL
115226,CC12CC=CC(c3ccc(F)cc31)C21CC1,0,GDB ChEMBL
352838,C1=[NH+]CC(C2C[NH2+]CCO2)N1,0,GDB ChEMBL
67596,CC1CC([NH3+])C(OC(=O)CN)O1,0,GDB ChEMBL
325278,C=C(C)C1(CC2CC[NH2+]C2)CCC1,0,GDB ChEMBL
394342,C#Cc1c(CC)cc(C(=O)OC)nc1Cl,1,GDB ChEMBL
338864,CC1[NH2+]CCC1C1COC(C)C(C(N)=[NH2+])C1,0,GDB ChEMBL
28270,C#CC1(O)CC(C[NH3+])C2CCC1[NH2+]C2C(C)C,0,GDB ChEMBL
278212,C#CC(OC(C)C)C1CCCCC1,1,GDB ChEMBL
7790,CCC1(C(=O)[O-])C(C2=[NH+]C(C)CN2)N1C,0,GDB ChEMBL
37158,Cc1cc2sc1CCCCC(C)OC2,1,GDB ChEMBL
81521,C1CC2CCC1C1CC3OC1CC23,1,GDB ChEMBL
257988,C[NH2+]C1(C(=O)[O-])C(C)C(O)CC1S(N)(=O)=O,0,GDB ChEMBL
148358,CCC#CC(C)(O)CC1CC1,1,GDB ChEMBL
34979,C#CC1CC(C)(OC(C)C)C([NH+](C)C)C1OC,0,GDB ChEMBL
64341,C[NH2+]C1C(=O)NC(C[NH3+])C1(C)CNS(C)(=O)=O,0,GDB ChEMBL
361606,Nc1cc(F)c(C(=O)[O-])nc1F,0,GDB ChEMBL
36018,CC1C[NH+]=C(N)CC2C(=O)COC12,0,GDB ChEMBL
203750,Ic1cc2c(cn1)CCCCC2,1,GDB ChEMBL
8791,CC1(O)C2NS(=O)(=O)CC(=O)NCC21[NH3+],0,GDB ChEMBL
255509,Cn1cc(Br)cc(CC(=O)C2CN2)c1=O,0,GDB ChEMBL
83110,CCC1CC2OC1c1cc(C[NH3+])cc(O)c12,0,GDB ChEMBL
220200,C[NH2+]CC1C2OC(C[NH3+])C(C)N1C2C(=O)[O-],0,GDB ChEMBL
203790,CCCC1C2C[NH+]3CC2CCC13,0,GDB ChEMBL
142504,C#CC(C)C(C#C)Nc1c(C)cc(I)cc1C,1,GDB ChEMBL
85704,CC(O)C1CC2CCC(C)(C2)C1,1,GDB ChEMBL
48069,CNC(C#N)C(=O)CO,1,GDB ChEMBL
365795,CC1=CC(O)C(CC=O)OC(N)=[NH+]CC1,0,GDB ChEMBL
304619,CC1CC(=O)CCCN(C)C(=[NH2+])NCC(=O)O1,0,GDB ChEMBL
278203,CC[NH2+]C1(CO)CC(C)C(C(=O)[O-])N2CC21,0,GDB ChEMBL
123049,CC(=O)c1c(CN(C)C(C)=O)nsc1N,1,GDB ChEMBL
118370,CCNC(=O)C1C=CC[NH2+]1,1,GDB ChEMBL
115034,COC1(CC(O)(C#N)CC(N)=O)CCC(O)C1,0,GDB ChEMBL
80266,CCCC(N(C)C=O)C1(C)OC(N)=NC1C,0,GDB ChEMBL
365687,NC1C[NH+]=CNC(=[NH2+])NC1C(=O)[O-],0,GDB ChEMBL
58498,CC1CCCNC(Nc2cscn2)=[NH+]1,0,GDB ChEMBL
361814,C[NH2+]CCC(c1ccn[nH]1)N(C)C,0,GDB ChEMBL
11005,CC(C)CCC(=O)C1(C)CCCCCN1C=O,1,GDB ChEMBL
386453,C[NH2+]C1C(O)CC2CC([NH3+])C(O)C21,0,GDB ChEMBL
354760,CCC(C)C=Cc1ccccc1F,1,GDB ChEMBL
175686,CC#CC1C(C[NH3+])N1C(=N)CC(=O)OCC,0,GDB ChEMBL
295911,CCC(=O)N1CC2OC2C2CC21,1,GDB ChEMBL
284756,C[NH2+]CC12COC(CNC1=O)C([NH3+])C2,0,GDB ChEMBL
221367,Nc1ccnc2nc(CC[NH3+])nc-2n1,0,GDB ChEMBL
84274,CC1CCCC2CCCC(CC2(C)C)C([NH3+])C1,0,GDB ChEMBL
294442,CC1(C)CNC(=O)C2C(=N)OCC2C1,0,GDB ChEMBL
201993,CCC1C(C)CC2C3CCC(C3)OCCC12,0,GDB ChEMBL
78308,CC[NH2+]C(c1cc(CO)no1)C(C)(CC)CC,0,GDB ChEMBL
68444,[NH3+]C1CC2CCC1C2[NH2+]C1CCOCC1O,0,GDB ChEMBL
365778,COc1ncnn1C1CC(CC(=O)[O-])CC1=O,0,GDB ChEMBL
370333,C=CCC(C=C(C)CO)C(C)C=C,1,GDB ChEMBL
239162,CC(=O)n1nc([O-])cc1C(=O)N1CC1,0,GDB ChEMBL
77802,CC1C[NH+](C)C2CC3OCC(CO)(C12)C3(C)C,0,GDB ChEMBL
51860,COC1CC(O)C2C[NH2+]C1C2N,0,GDB ChEMBL
359181,CC1c2cc(Cl)ccc2C2C(C=O)C12,1,GDB ChEMBL
384236,CCOC(=O)C1=C2CCC2C(C)(C)[NH2+]C1,0,GDB ChEMBL
177092,CC1(O)CC([NH3+])C(O)CC2(COC2)C1[NH3+],0,GDB ChEMBL
254237,CC(C(=O)[O-])N(C)C(C(=O)[O-])C(O)C(N)=O,0,GDB ChEMBL
49163,CCC[NH2+]C1CNC(=O)NC1=N,0,GDB ChEMBL
180972,NC(=[NH2+])C1C(CO)C1NCCS(=O)(=O)[O-],0,GDB ChEMBL
309629,N=C(OC1CC(O)CC(O)C1)C(C[NH3+])CO,0,GDB ChEMBL
305334,CC(C)N(C=O)C1(C#N)CC1,1,GDB ChEMBL
104454,CCC(C)(C)C1CC=CC(CC(C)C)C1,1,GDB ChEMBL
28996,CC1CCCCCCC1c1nc(F)ccc1F,0,GDB ChEMBL
207408,CN1CC([NH+]=CNC(CN)CC#N)C1,0,GDB ChEMBL
53330,CCC(C(C)C)C1CCC2CC1(C)CC2C[NH3+],0,GDB ChEMBL
209847,CC1[NH2+]C(CN)C(O)C2CC12,0,GDB ChEMBL
65953,CC([NH2+]CC1C[NH2+]C1)C1(C)CC1,0,GDB ChEMBL
215731,C[NH2+]C1C(C)C2C(=O)CC1C2C,0,GDB ChEMBL
209824,NC(=O)OC(CO)COCCO,1,GDB ChEMBL
277719,CC[NH2+]CC12CN(CC)C(=O)CN1C2,0,GDB ChEMBL
124231,CC1C[NH+]=C(N)C2CC2C(=O)N1,0,GDB ChEMBL
121990,CC1CC(O)CC2C3C=CC(C3)C12,1,GDB ChEMBL
17047,CCC12CC(C)NC(=O)CC1(O)CN2C=O,0,GDB ChEMBL
350908,C#CC(CC[NH3+])(CCC(C)O)CC1CCCO1,0,GDB ChEMBL
17546,N#CC(N)C1C2CC(C[NH2+]2)C1O,0,GDB ChEMBL
50099,CCC12CCc3c(F)cc(C)c(c31)CC(C)C2,0,GDB ChEMBL
283251,CC1C(=O)N(C)C(=O)NC(=N)N1C=O,1,GDB ChEMBL
365825,N=C(NC1CCOC1=O)C(N)=[NH2+],0,GDB ChEMBL
127186,Cc1cnc(C(C)C2COC2)c(Cl)c1C,0,GDB ChEMBL
330013,CCNC(=[NH2+])N(C)C(=N)C(=O)[O-],0,GDB ChEMBL
284747,CCC(C)C(O)C1CC1(C)C,1,GDB ChEMBL
367655,CC1OC(=O)C2CCCC1C2C#N,1,GDB ChEMBL
363565,Cc1c(C)c(CCCCO)c(Br)c(Br)c1C[NH3+],1,GDB ChEMBL
205803,CC1CCC[NH2+]CC2(C)CCC=CC12,0,GDB ChEMBL
205811,CS(=O)(=O)N1C(C#N)CNC2CC21,0,GDB ChEMBL
281144,C#Cc1cc2c(C)cc(CC)c(C)c2cc1Cl,1,GDB ChEMBL
246939,CCCOC(=N)NC(=[NH+]CC)N1CC1,0,GDB ChEMBL
70768,COC(=O)C1C2CC(O2)C1C,1,GDB ChEMBL
278178,CC[NH+]1C(C)CC1CN,0,GDB ChEMBL
169354,CCC1Cc2cc3[nH]ccc3n2C1,0,GDB ChEMBL
224043,C#CCC1C=CCC(CC)CC1C,0,GDB ChEMBL
143459,CC12OC1C1CCN3C(N)=[NH+]C(CO)C2C13,0,GDB ChEMBL
342616,CS(=O)(=O)N1C(CC#N)C1C1=[NH+]CCN1,0,GDB ChEMBL
34997,CCC1CC2(O)C(C1C)C2N(C)CC[NH3+],0,GDB ChEMBL
202780,[NH3+]CC(O)C1C2NC(=O)OC21C(=O)[O-],0,GDB ChEMBL
211135,CC1CC2([NH3+])CN(C=O)CC(O)C2CC1[NH3+],0,GDB ChEMBL
26342,CC1CCC2=CCCCC2C(C)C1,0,GDB ChEMBL
255467,CCN(CC)c1nc(O)ncc1C(C)CC[NH3+],0,GDB ChEMBL
279243,NC(=O)C1=CC([NH3+])COC1CCO,0,GDB ChEMBL
79533,CNC(=O)C1CC(=O)CNC(C=O)C2CC12,0,GDB ChEMBL
50239,C[NH+]1C2CC(C(N)=O)NC3C(C2)C31,0,GDB ChEMBL
15532,CC(C)C[NH+]1CC(C)(C)C2OCC=CC21,0,GDB ChEMBL
170100,CCCC1C=CC(C)=CC=C(C)C1,0,GDB ChEMBL
238529,CS(=O)(=O)NC(CO)C1NCC(O)CC1[NH3+],0,GDB ChEMBL
367812,C#CCC1C[NH+]2CCCC2C(C)C(C)(CC)C1,0,GDB ChEMBL
369295,CCC(C)C1C=C(C)C2C=CCCC21C,0,GDB ChEMBL
56642,CC(O)CC1(CO)C2CCC21,1,GDB ChEMBL
16527,NC(=[NH2+])C1CC(O)C(O)C(O)C1C(=O)[O-],0,GDB ChEMBL
374935,COCC(C)C1OC(=O)C1(C#N)CO,0,GDB ChEMBL
72387,CCC(O)CCCNC(N)=[NH2+],1,GDB ChEMBL
215336,Cc1cc(NCCC[NH3+])[nH]n1,1,GDB ChEMBL
354729,CC1CC(CO)c2cc(c(Cl)cn2)OCCO1,0,GDB ChEMBL
394300,CC(=O)C(C=O)(CC(=O)[O-])NCC(=O)[O-],0,GDB ChEMBL
292267,COC1(C)CCCC1C1CCC1,1,GDB ChEMBL
216167,NC1CC[NH2+]CC2CC([NH3+])C1O2,0,GDB ChEMBL
170298,NC(=[NH2+])OC1C(=O)OC(C(=O)[O-])C1O,0,GDB ChEMBL
37132,CC1(CO)CCC2CC2CC1,1,GDB ChEMBL
107838,N#CC1N(C(N)=[NH2+])CC1(O)C(=O)C(N)=O,0,GDB ChEMBL
345459,CC1C(C#N)CNC(=[NH2+])N1C(N)=[NH2+],0,GDB ChEMBL
77743,CCCC1(C(C[NH2+]C)NC=O)CO1,0,GDB ChEMBL
203768,CC(=O)Cc1n[nH]c2c(C)ncc(C)c12,1,GDB ChEMBL
160795,CC(C#N)N(C)C1CCC1,1,GDB ChEMBL
267931,CCC(CC)CC1C2CCC([NH2+]C)C21CC,0,GDB ChEMBL
65593,O=C([O-])CC1CC(=O)CNS(=O)(=O)O1,0,GDB ChEMBL
372575,CC(=O)C1CNC(=O)C(=O)[N-]S(=O)(=O)C1,0,GDB ChEMBL
372632,CCC1C(C)CC2(CC(C)C2)C1OC,0,GDB ChEMBL
209441,CS(=O)(=O)[N-]c1cnc(CNC=O)c(N)n1,0,GDB ChEMBL
271522,CC(CCCO)CC(C)OC=[NH2+],0,GDB ChEMBL
174675,C[NH2+]C(CC=O)COC1CC[NH2+]CC1,0,GDB ChEMBL
312217,CC1(C[NH3+])OCC(O)C2C(O)C(=O)NC21,0,GDB ChEMBL
309794,CCCOc1nc(=O)n(C)c2c1C[NH+]=C(N)C2,0,GDB ChEMBL
144573,[NH3+]C1C2CC(NS(=O)(=O)C2)C1C(=O)[O-],0,GDB ChEMBL
3791,CCCC#CCCc1cc(C)c(F)c(F)n1,1,GDB ChEMBL
342593,CC(O)C1NC(=O)C(O)C1([NH3+])CC(O)CO,0,GDB ChEMBL
318047,N#CC1CC2C[NH2+]C(C1N)C2C(N)=O,0,GDB ChEMBL
103544,Cc1c2c(cn1CC1CC1)CCCCC=C2,1,GDB ChEMBL
107834,CCCC1(OCC)CC2CCC(C2)C1,1,GDB ChEMBL
147566,NC(=O)C1C2C(=O)CNC12C(=O)[O-],0,GDB ChEMBL
4774,CC(NC(C(=O)[O-])C(N)C[NH3+])C(N)C#N,0,GDB ChEMBL
3959,CC#CC1[NH2+]CC(C)(C)C1CC1CC1,0,GDB ChEMBL
122680,N#CC1(N)C(=N)N(CC(N)=O)CCC1O,1,GDB ChEMBL
239970,CC1=CCC2CCOC1CC2[NH3+],0,GDB ChEMBL
279073,COC(C[NH3+])C1CC(CO)C(C)C1O,0,GDB ChEMBL
141930,CC1C[NH2+]CCCCCC(C)(C(F)(F)F)C1C,0,GDB ChEMBL
263809,C[NH+](CC1CC[NH2+]CC1(C)C)C1CC1N,0,GDB ChEMBL
234457,Cc1ccc(Cl)c2c1NC(C)C1(CC1)C2,1,GDB ChEMBL
11395,N#CC(O)COC(=O)CN,1,GDB ChEMBL
382102,O=C([O-])C1[NH2+]C2CC1OC1CC21,0,GDB ChEMBL
37323,CC1(c2cncs2)CC(N)=[NH+]CC[NH2+]C1CO,0,GDB ChEMBL
286168,CC[NH+](C)C1C=CC2CC1(O)C2,0,GDB ChEMBL
290552,CC(C)C[NH2+]CC1(C[NH3+])CCN1,0,GDB ChEMBL
143473,CCCc1cc(C(C)C)cc2c1CC(C)(C)C2,1,GDB ChEMBL
277748,CCC1CC2C(C)CC3C1C[NH2+]C23,0,GDB ChEMBL
26043,CC(O)c1nn(C)c(O)c1C(CO)CO,0,GDB ChEMBL
44114,CC[NH2+]CC(O)C(=O)N(C=NC)C(C)(C)C,0,GDB ChEMBL
98830,CC(O)C1c2cc(Cl)ccc2C2CC21,1,GDB ChEMBL
185997,COCC([NH3+])C12CC(C)C1C([NH3+])C(=O)N2,0,GDB ChEMBL
227751,CC(C)c1cc2cc(Cl)c(Cl)cc2c(Cl)c1N,1,GDB ChEMBL
274239,[NH3+]CCCC1(C2COC(=O)N2)CC1,0,GDB ChEMBL
392229,COC1C(O)C1C(CS(N)(=O)=O)C(N)=O,0,GDB ChEMBL
98588,C#CCC1=CCC2(C)CCCCC12,1,GDB ChEMBL
141811,CC(O)(Cn1nccn1)C(O)C(N)C[NH3+],0,GDB ChEMBL
242655,CC=CCC(C)Nc1cn[nH]c1C,1,GDB ChEMBL
317171,CC[NH2+]C1CC(O)C(CC)C(C)([NH3+])C1N,0,GDB ChEMBL
35993,CC1CCCC(C)C2(C)OC2C1,1,GDB ChEMBL
334428,NC(=O)c1sc([NH+]=C(N)N)nc1N,0,GDB ChEMBL
184285,CCC1C(O)C2=CC[NH+](C)CC2C1C,0,GDB ChEMBL
340417,[NH3+]CC1NC(=O)C2CC(=CNC1=O)C1OC21,0,GDB ChEMBL
358190,CCc1csc(CC(C)(C)CO)c1NC(C)C,1,GDB ChEMBL
9857,CC1CCC2CC(c3ccccc3)C12,1,GDB ChEMBL
21442,CC1CCc2cc3c(cc2N1)CC1(CC1)C3,1,GDB ChEMBL
25159,CC[NH2+]C1COCC2CC21C,0,GDB ChEMBL
120521,CCCC1C(C)(C)CC2CC(C[NH2+]C)C1(C)C2,0,GDB ChEMBL
246977,O=C1NCCC2C3C(O)C1CN23,0,GDB ChEMBL
379150,C#CCCCCC(C)C(=C)C=CC,1,GDB ChEMBL
319350,CC1=CC(O)CC(C)CC1,1,GDB ChEMBL
87551,Cc1ccnc2c1CC1C(C)C21,0,GDB ChEMBL
58973,C[NH+]1CC=C2CC(O)C3C1C23C(N)=O,0,GDB ChEMBL
345443,CCC1CC2C([NH+]1C)C2(C)N,0,GDB ChEMBL
379130,CC#CC1([NH3+])C(O)CCC1OCC(C)C,0,GDB ChEMBL
104919,CCc1c(NCC(C)(N)C(N)=[NH2+])cc[nH+]c1N,0,GDB ChEMBL
95177,CC#Cc1c[nH]c[nH+]c(N)ccnc1=O,0,GDB ChEMBL
133155,CC#CC1(OC)CC2CC(O)C1(C#N)N2,0,GDB ChEMBL
353210,COc1c(F)cc(C)cc1C#N,1,GDB ChEMBL
31036,Cc1cc(Br)c2c(c1)C1CC2CC1(C)C,1,GDB ChEMBL
42255,CNC(=O)OC(C#N)C(O)C(N)=O,1,GDB ChEMBL
104730,CCCCC(C)C(C)C1C2C3CCC(C3)C21,0,GDB ChEMBL
296645,CC(=O)NCC1C[NH2+]CC2(CO)OC(C)C12,0,GDB ChEMBL
246411,CN=C(NC(N)=[NH2+])NC(=O)CC1CN1,0,GDB ChEMBL
132180,CC1(N)C(=[NH2+])NC2C(O)CC1C2NC(=O)CO,0,GDB ChEMBL
288912,CC(C(N)=O)C(O)(C(=O)[O-])C([NH3+])CN,0,GDB ChEMBL
390534,N#CCCNc1nnn(CC[NH3+])n1,0,GDB ChEMBL
26805,COC1C(=O)C2NC(=O)C(C)C21,0,GDB ChEMBL
382071,N#Cc1nc(C[NH3+])nc(NCCO)n1,0,GDB ChEMBL
112630,C#CC(C)C(C=O)C(C)C1CCC[NH+]1CC,0,GDB ChEMBL
247172,CC1Cn2c(C(=O)[O-])c(O)c(C=O)c2C(=O)O1,0,GDB ChEMBL
94648,[NH3+]C1C(=O)NC2(CC1O)CS(=O)(=O)N1CC12,0,GDB ChEMBL
102347,CC1CC2OCCC23C[NH+]1C3,0,GDB ChEMBL
32033,CCNc1nc2cc(=NC)[nH]c(=[NH2+])c(N)c2s1,0,GDB ChEMBL
120398,CC(C)c1c(N)c(Br)cc(Br)c1C1CCC1,1,GDB ChEMBL
351141,O=CNC1CC(=NO)CC(O)C1,1,GDB ChEMBL
128313,CCc1cc(=N)c(OCC[NH2+]C2CC2)co1,0,GDB ChEMBL
181563,CCC1CC(C)(C)C(C)(COC)C(O)(CC)C1,0,GDB ChEMBL
214416,CCCC(C1CC1)C1(CC)CC1,1,GDB ChEMBL
181724,C[NH2+]CCC(O)C1OC2CCC1C2CCO,0,GDB ChEMBL
382120,NC1C2NCC(C1[NH3+])C(O)C(C(=O)[O-])NC2=O,0,GDB ChEMBL
99562,CN1CC(N)(CC#N)C1CO,0,GDB ChEMBL
274094,CC(C[NH3+])N1C(C(O)CCO)C1S(N)(=O)=O,0,GDB ChEMBL
26453,CN1C(=N)C([NH3+])CCOC1=O,1,GDB ChEMBL
379242,C#CCCCC1C2CCCC(C2C)C1(C)CC,0,GDB ChEMBL
204509,CCCCC(C)(CC)C1CC(C)=CC(C)C1,0,GDB ChEMBL
152016,COC(=O)C1C2C[NH2+]C(C2)C2OC(=O)C1O2,0,GDB ChEMBL
122673,CCCC1CCc2c(C)c(CC)cc(Br)c2C1,1,GDB ChEMBL
182873,CC#CCC(C)C(CC#N)CC(C)(C)CC,0,GDB ChEMBL
234507,CCC1C([NH3+])C[NH2+]CC2(C)C(C(C)O)C12,0,GDB ChEMBL
265547,Cc1sc(N)nc1C(O)(C[NH3+])C(O)C(=O)[O-],0,GDB ChEMBL
177328,CC(C)(C)N1CC1CS(C)(=O)=O,1,GDB ChEMBL
67808,CCN=C1NC(CCOC)C1[NH3+],0,GDB ChEMBL
397083,C#CCC(CCC1CC1)CC([NH3+])CC,0,GDB ChEMBL
230458,CN(C(C#N)C=O)C(C#N)C(N)=O,0,GDB ChEMBL
30333,CC(O)C#CC(C(=O)[O-])C(N)C#N,0,GDB ChEMBL
113470,CC12OC1C(O)C1COC(=O)C12,1,GDB ChEMBL
204587,CC1=CC2c3cccc(I)c3CC2CC1C,1,GDB ChEMBL
361770,CN1C=CCNc2ccnc(n2)NC1=O,0,GDB ChEMBL
63099,Cc1cc2cc(Br)c(Br)cc2c(C)cccs1,0,GDB ChEMBL
333114,C#CCCn1cc(N)[nH+]c1N,0,GDB ChEMBL
17081,CC1CC2C(=[NH2+])NC1C(O)C2CC(N)=O,0,GDB ChEMBL
115404,CCC([NH3+])C1C(C[NH3+])C2CCCCCC2[NH+]1C,0,GDB ChEMBL
148933,COCC1C(C)(C)C12CC1CCC2C1,1,GDB ChEMBL
160330,CCC1C=C2CCCCC2C2CCCC1C2,0,GDB ChEMBL
372683,COCC1(C)CC(O)C1=O,1,GDB ChEMBL
204543,COCCC#CCC[NH2+]C(C)C,0,GDB ChEMBL
305342,CCCC(C(C)C1CC1C)C(F)(F)F,0,GDB ChEMBL
393945,CNC1=[NH+]CC(CC(CO)CC(C)O)O1,0,GDB ChEMBL
90289,COC(C(N)=O)C(C)(O)C1CN1,0,GDB ChEMBL
351152,CC1CC2C(C)C2(CO)C[NH2+]1,0,GDB ChEMBL
231095,CC(=N)N1C(=O)C(=O)OCC1CC[NH3+],0,GDB ChEMBL
382118,C#CC1C(C)C1c1cc(Cl)c(C)cc1C,1,GDB ChEMBL
352841,CC12C(O)CNC(=O)NC1C[NH2+]C(CO)C2O,0,GDB ChEMBL
367818,COCC(COC)N=C(N)c1cocnc1=O,0,GDB ChEMBL
45696,CCCCCC(C)(C)C1=C(CO)CNC1=O,0,GDB ChEMBL
55537,NC(=O)CC12[NH2+]CC(O)C1NC(=O)CC2O,0,GDB ChEMBL
54814,CC(O)C([NH3+])C1NCC2(C)CC2NC1=O,0,GDB ChEMBL
208425,CCc1c(C2(OC)CC2)cc(I)c(C)c1O,1,GDB ChEMBL
318776,Cc1cc(C)c(C2(O)CC=CC2)cc1F,1,GDB ChEMBL
308661,CCC(C)C1CC(C(N)=O)C1,1,GDB ChEMBL
133372,C#CCC(C)(C)Cc1ccc(Br)c(C)c1C,1,GDB ChEMBL
355407,CCCC1C2CCC1(CC(C)C)CC2C,0,GDB ChEMBL
313735,NC(=O)Nc1nccs1,1,GDB ChEMBL
185971,CC(C)Oc1cnn2c(O)cc(C(C)C)c2c1,0,GDB ChEMBL
157723,CN1C(=O)C(O)C2C(OC(N)=O)C21,0,GDB ChEMBL
178031,NC(=O)C(N)C([NH3+])C(O)C1CNC(=O)C(O)C1,0,GDB ChEMBL
247347,C[NH2+]CC1C(N)C([NH3+])CC[NH2+]C1(C)C,0,GDB ChEMBL
234515,CCc1cncc(O)nccc(C#N)c1,0,GDB ChEMBL
388425,C#CCC1(C)CCOc2cc(Br)cc(Br)c2C1,0,GDB ChEMBL
242921,CC1(C2C3C=CC2CC3)CCCC1,0,GDB ChEMBL
204529,CC1CC(CN)[NH2+]C2CC(C)(O)C1(C[NH3+])C2,0,GDB ChEMBL
338572,CC(C)CC(O)C1=CC(S(N)(=O)=O)OC1,0,GDB ChEMBL
189886,C#CCC1(C(C[NH3+])OC)CCC1,0,GDB ChEMBL
131634,C#CCC1OCC(CC(=O)[O-])CC(C#N)O1,0,GDB ChEMBL
399000,C[NH2+]C(COC(=O)C=O)CC(N)=O,1,GDB ChEMBL
282216,C#CCC([NH3+])COc1nc(C)cn1CC(C)[NH3+],0,GDB ChEMBL
31808,C#CC[NH+]1CC2CC(O)C(C)(CCC)C21,0,GDB ChEMBL
152538,COC1(C(=O)[O-])C([NH3+])C(=N)NC1(C)C(N)=O,0,GDB ChEMBL
248244,COC(CC(=O)CO)C1CN1,1,GDB ChEMBL
284749,CCC(O)Cn1nncc1N(CC)CC(C)=O,1,GDB ChEMBL
169043,CCC1C(CO)C2CCC(=O)OC2(C)C1C#N,0,GDB ChEMBL
310324,C#CCCC1C(C)CC(C)(CO)C1C,1,GDB ChEMBL
36024,CC1CCC2[NH+](C)CC3(C)C(C[NH3+])C23C1,0,GDB ChEMBL
23553,C[NH2+]C1COC(=O)C(OC(=N)C[NH3+])C(O)C1O,0,GDB ChEMBL
331487,CC(C)CC1=CC#CCCC[NH2+]C(C)C1,0,GDB ChEMBL
844,CC(C)CC1=CCCCC1[NH3+],0,GDB ChEMBL
43521,CC1(C(N)=O)C([NH3+])C(O)C2CC21,0,GDB ChEMBL
389028,COC(C#N)C(N)C(C#N)CC1CC1,0,GDB ChEMBL
181531,NC1C[NH2+]C1Cc1cnc(O)nc1,0,GDB ChEMBL
391278,C#CC([NH3+])CCC(CCO)[NH2+]CC,0,GDB ChEMBL
111875,CC(C)CC(C#N)(C#N)CC(C)[NH+](C)C,0,GDB ChEMBL
339022,C#CC1N=C(C([NH3+])COC(N)=O)NC1CCC,0,GDB ChEMBL
196518,CCCC(C)CC(C)CC1(C[NH3+])CC1C,0,GDB ChEMBL
66746,C[NH2+]C1CC(C(=O)N(C)C(C)C)(C(C)C)C1,0,GDB ChEMBL
142009,C#CCCc1cc(F)cc(F)c1F,1,GDB ChEMBL
23458,CC1=CCCC2CC2C([NH3+])C1,0,GDB ChEMBL
182094,C#CC1(C(F)(F)F)CCC(CC(=O)CC)CC1,0,GDB ChEMBL
354783,CC(=N)Nc1nccc2nc(O)cc(O)c12,1,GDB ChEMBL
392502,CC1CC(C)(CCC[NH3+])C2CC12,0,GDB ChEMBL
67585,Clc1ccc(C2CCC23CCCC3)cc1,1,GDB ChEMBL
338618,CC(C)C12CC(C[NH2+]1)C1CCC[NH+](C)C(C1)C2,0,GDB ChEMBL
228372,[NH3+]Cc1csc2c1CNC2=O,1,GDB ChEMBL
338304,CC[NH+]1CCCC1(COC)C1CC1,0,GDB ChEMBL
120570,N#Cc1cc(=N)c(N)cnc1N,0,GDB ChEMBL
341307,COc1cc(C(CC(C)C)=NO)coc1=O,1,GDB ChEMBL
255533,CCC[NH+]=C(N)C(COC)OS(N)(=O)=O,0,GDB ChEMBL
130417,CCC[NH2+]C1C(O)C1n1ncnn1,0,GDB ChEMBL
56654,C#CCN1CC(C#N)C(NCCCCC)C1=O,1,GDB ChEMBL
76385,COC(C)C1NC1(C(N)=O)C1CC1O,0,GDB ChEMBL
91214,CCOC1(C([NH3+])CCCNC=O)COCC1C,0,GDB ChEMBL
38602,Cc1cc(N)nc([NH+]=C(N)N)c1Br,0,GDB ChEMBL
124150,NC1(C[NH3+])C(O)C1N1CC(CO)CC1=O,0,GDB ChEMBL
162901,CCN1CC(C[NH3+])OC1=O,0,GDB ChEMBL
222112,CNc1n[nH]c(CCNC(=O)C(N)=O)c1[O-],0,GDB ChEMBL
869,N=C1OCC(C(=O)[O-])[NH+]2CC1C(O)C2CO,0,GDB ChEMBL
328834,CCCC(C1C=CCCC(C)C1)C1CCC1,0,GDB ChEMBL
240446,CCCC(C1CCC(CC)C1)[NH+](C)CC(C)C,0,GDB ChEMBL
351198,CC([NH3+])CC(C#N)CC([NH3+])C(O)CO,0,GDB ChEMBL
105107,CCCC1C2C[NH+]=CNC1C(C)(CC(C)C)C2,0,GDB ChEMBL
214406,CCCC1CCCC(=O)NC1CCOC=NC,0,GDB ChEMBL
391818,CC1[NH2+]C2C(O)CCOC2C1C[NH3+],0,GDB ChEMBL
101532,CC(C([NH3+])CCO)C1(C(N)=O)CN1,0,GDB ChEMBL
338838,CNC(=O)[N-]C(C#N)(C=O)C(N)=O,0,GDB ChEMBL
392765,NC(=O)C1(C(=O)[O-])C(O)C1([NH3+])C(=O)[O-],0,GDB ChEMBL
265236,CC[NH+]1C2CC=CCC(CC3C=CCC31)C2,0,GDB ChEMBL
9826,CC12CC3C(=O)C(COC3C1O)O2,0,GDB ChEMBL
38710,CCCC1CC(CC)OC1(C)C,1,GDB ChEMBL
151246,O=C([O-])c1cc2c(c(O)n1)C1CN2C1,0,GDB ChEMBL
296275,CCCC1CCC2CC=CC1CCC2,0,GDB ChEMBL
26982,CC(O)CC(C)C[NH2+]C1C=CCC(C)CC1,0,GDB ChEMBL
338292,Cc1cccc(Br)c1C1(C)C=CCC1,1,GDB ChEMBL
306368,C=CC[NH2+]C1C2CCCCC21C=C,0,GDB ChEMBL
305221,COC(=O)C1C=CC2CC2(CC(N)=O)N1,0,GDB ChEMBL
48772,C#CC1=CCCC(C)(CC)CCC=CC1,1,GDB ChEMBL
132859,[NH2+]=C1NC2C=CC(=O)OC2CO1,0,GDB ChEMBL
124248,O=CNC1=NCC(c2ccnc(Cl)n2)C(=O)N1,0,GDB ChEMBL
29770,CC#CCc1cc(CO)cc(CC)c1C#N,1,GDB ChEMBL
113584,CC1=CC=CC#Cc2cc(C)cc(c2Cl)C1,0,GDB ChEMBL
160362,NC(=[NH2+])NC1C2C(O)COC(C(=O)[O-])C12O,0,GDB ChEMBL
115054,N=c1nc([O-])scc1NC(=O)C([NH3+])CO,0,GDB ChEMBL
59207,NC(=O)C1CC2(CS(=O)(=O)NC2CO)N1,0,GDB ChEMBL
268174,CC(C)N=C(N)C(O)C(N)=O,1,GDB ChEMBL
280823,CS(=O)(=O)[N-]c1ncncc1[O-],0,GDB ChEMBL
137084,CCC(O)(CC(C)[NH3+])C1C(C#N)C1OC,0,GDB ChEMBL
378296,Cc1cccc(CNS(=O)(=O)C(C)CO)n1,1,GDB ChEMBL
53651,N#Cc1ccc2cnc(C#CC3CC3)n2c1,1,GDB ChEMBL
201043,CC1=CCCC(C)(C)C1C(N)=[NH2+],0,GDB ChEMBL
33583,CCC(O)C(COS(=O)(=O)NC)C(C)[NH3+],0,GDB ChEMBL
80343,CC1=CC[NH2+]C2CCCC12,0,GDB ChEMBL
391604,CCC(C)(C=O)C1CC1[NH+](C)C,0,GDB ChEMBL
46027,CC(Cn1cnc(C(=O)[O-])n1)C([NH3+])CO,0,GDB ChEMBL
271308,C#Cc1c(O)cc(C)c(CC)c1C(C)CCC,1,GDB ChEMBL
235230,CC(C)C(C[NH3+])N1CCC(C)C2CC21,0,GDB ChEMBL
28312,CCCOCc1occ([O-])c1N,0,GDB ChEMBL
308270,C#CCCc1cc(C)c2c(c1)C[NH+](CC)C2C,0,GDB ChEMBL
374216,Cc1cc(C(C)CC(F)(F)F)c(C)cc1C[NH3+],1,GDB ChEMBL
99078,NC1(C(=O)[O-])CC([NH3+])COC1=O,0,GDB ChEMBL
204515,C#CCOC(C(N)=O)C(C)[NH3+],1,GDB ChEMBL
104712,Cc1cc2cc(c1)NCCC(C)([NH3+])C=CC2,0,GDB ChEMBL
29730,CC[NH2+]C1C2C=CC1C2C#N,0,GDB ChEMBL
328842,C=CC(O)(C(=O)[O-])C(C)OCC[NH3+],0,GDB ChEMBL
156512,CC#CCc1ccc(C)o1,1,GDB ChEMBL
132175,O=C1OCCNC2CC(CO)NC12,0,GDB ChEMBL
29612,Nc1cncc([O-])c(O)nc2[nH]ccc2[nH+]1,0,GDB ChEMBL
233961,CN(CC(N)=[NH2+])CC(O)CCO,0,GDB ChEMBL
34361,CNC(=O)CC(O)CC1([NH+]=C(N)N)CC1,0,GDB ChEMBL
326477,CCC(C)[NH+]1CCOCC12C(C)C2(C)O,0,GDB ChEMBL
57287,CC1CC23OC(C)C([NH3+])CC2C(O)CC3C[NH2+]1,0,GDB ChEMBL
348461,CC(CCCO)N(C)C1(C(C)(C)C)CC[NH2+]C1,0,GDB ChEMBL
162523,CCN(C)CC(=O)OC1COC1,1,GDB ChEMBL
203855,C#CC1([NH3+])Cc2ccc(C)c(Br)c2CC1CC,0,GDB ChEMBL
386645,NC(=O)C(C(=O)[O-])C(NC=O)C([NH3+])C(O)C[NH3+],0,GDB ChEMBL
130371,CC1CC[NH2+]C(C2(C)CC2)C(C)CC1C,0,GDB ChEMBL
398770,CC(C)C(=O)NC1CC2(CCC[NH2+]C2)C1,0,GDB ChEMBL
368413,CCC(Cc1cc(Cl)cnc1Cl)N1CC1,1,GDB ChEMBL
271602,[NH3+]CC1N=CNC(=O)C1(CO)NCCC(=O)[O-],0,GDB ChEMBL
323191,O=C1c2cc(Br)ccc2OC2CC12O,1,GDB ChEMBL
39962,CCOc1c(=O)[nH]nc2cncnc12,1,GDB ChEMBL
358084,COCC1(C)C2CC(CC(C)[NH2+]2)OC1C,0,GDB ChEMBL
382147,C#CC1OC(=O)C2(N)CC([NH2+]C)C1CC2CO,0,GDB ChEMBL
47796,NC1C([NH3+])CC2C(O)COC(=O)C12,0,GDB ChEMBL
32047,CC1CC2(C)CCC3C2C1C(C)[NH+]3C,0,GDB ChEMBL
33199,CCc1cc(OCC[NH3+])cc(NC=[NH+]C)c1N,0,GDB ChEMBL
9955,CC(C(=O)N(C)C(C)(C)C)C1C=CCC1,1,GDB ChEMBL
386706,C[NH+](CCCC(N)=[NH2+])CCC1C=CC([NH3+])C1,0,GDB ChEMBL
281648,CCCN1CC1C1CC1C(N)=O,1,GDB ChEMBL
222193,[NH3+]C(CO)C1CC([NH3+])(CC(O)C(=O)[O-])CCO1,0,GDB ChEMBL
203263,C[NH2+]CC(O)C(=O)OCc1nnsc1C,1,GDB ChEMBL
390125,[NH3+]C1(C(=O)[O-])C2CC(O)CC(OC(=O)N2)C1O,0,GDB ChEMBL
291881,CC1CC(CNC=O)[NH+]=C(N)OCC(=O)O1,0,GDB ChEMBL
45904,CCCC1CCC(C)(C(CC)CCC)C1(C)C,0,GDB ChEMBL
228840,C#CC1CCCC(C2CC(C)C2)[NH+]1C,0,GDB ChEMBL
33286,CC[NH2+]CCC1C[NH+]2CCCC12,0,GDB ChEMBL
17499,CN1C(=O)COC(C)(C)C=CC(=O)NC1=O,1,GDB ChEMBL
301217,C#CC1(CC)CC1C(C)C1CCCCC[NH2+]1,0,GDB ChEMBL
252868,C#CC1C(C(C)O)CC([NH+]=C(N)N)C1C(=O)[O-],0,GDB ChEMBL
304311,C#CC1CC1c1cc(Cl)c(C)cc1C=O,1,GDB ChEMBL
363770,COC(=O)C(N)c1cc(C)c2c[nH+]c(N)n2n1,0,GDB ChEMBL
328880,COCCC([NH3+])Cc1cc2nnsc2cc1I,0,GDB ChEMBL
104391,CC(CO)COCC(OS(N)(=O)=O)C(=O)[O-],0,GDB ChEMBL
342617,C[NH2+]C1C2NS(=O)(=O)CC(C)(CNC(C)=O)C21,0,GDB ChEMBL
345770,Cc1ncccc1CC1(S(N)(=O)=O)COC1,0,GDB ChEMBL
217697,CNC(C(COC)NC(N)=[NH2+])S(N)(=O)=O,0,GDB ChEMBL
29624,C#Cc1cc([O-])c(C#N)nc1COC1CC1,0,GDB ChEMBL
363203,CC1=C(CO)NC(=O)C(C)CC1=NO,0,GDB ChEMBL
325882,CC#Cc1cccc(F)c1CCC,1,GDB ChEMBL
67589,CNC(=O)NC(C)(C(=O)[O-])C(C)[NH3+],0,GDB ChEMBL
168426,CCC1C2CCC(CO)CC12[NH3+],0,GDB ChEMBL
61902,CN1CCC2OCOCC(=O)C21,0,GDB ChEMBL
160031,CCC(O)C1C([NH3+])C12COC2,0,GDB ChEMBL
132421,C[NH2+]CC(N)C1OC(C(=O)[O-])C1(O)C#N,0,GDB ChEMBL
104742,CC1C[NH+]2CC1(O)C1OCCCC12,0,GDB ChEMBL
221124,Cc1sccc1C[NH+]=C1NCCOCC(C)N1,0,GDB ChEMBL
2379,CCC1CC=CC(C)(C(C)C)CCC1,0,GDB ChEMBL
302417,CC1(C)C2CCC3CCCC3CCC21,0,GDB ChEMBL
354623,CCOC1CC2C=CC=CC1C2,1,GDB ChEMBL
304379,C#CC1(CC(CC)CCC)CC2CCCC1C2,0,GDB ChEMBL
265534,N#CC(OC(=O)[N-]C(=O)CO)C(O)C(=O)[O-],0,GDB ChEMBL
257408,N#CC12CC(=O)[N-]S(=O)(=O)C(C(=O)[O-])C1C2,0,GDB ChEMBL
31336,C[NH2+]C1CCOC2C(CO)CCOC1(C)C2N,0,GDB ChEMBL
179501,CC#CC1(OC)C=CCC1C,1,GDB ChEMBL
20478,NC(=O)OC(CO)CO,1,GDB ChEMBL
271062,CC(=O)OCC(O)C1=C(C(N)=O)CC([NH3+])C1,0,GDB ChEMBL
217370,CCCCn1ncc(NC)n1,1,GDB ChEMBL
190138,CC1C=C(C[NH+](C)C)C2CC12,0,GDB ChEMBL
109584,CCCC1CCC2C3C(CCC12C)C3(C)C,0,GDB ChEMBL
269346,[NH3+]CC1(CCO)CCCCC1[NH3+],0,GDB ChEMBL
59176,C[NH+](C)CC=CC=C(C=O)C1CC1,0,GDB ChEMBL
77853,C#Cc1cc(F)c(C#N)c(N)c1CCC,1,GDB ChEMBL
190361,[NH2+]=c1ccc(CC2(C(=O)[O-])C[NH2+]C2)c[nH]1,0,GDB ChEMBL
369855,COC(=O)N1C(=O)C(O)CC1C=O,1,GDB ChEMBL
227757,CCC1CCC2CCCCC1CC(C)CC2C,0,GDB ChEMBL
113500,CC1([NH3+])C2CCC[NH2+]C(CC(O)C[NH3+])C21,0,GDB ChEMBL
348835,C#CCC(O)C1C(C)C1C(=O)N(C)C,1,GDB ChEMBL
12773,CCC1CCC1[NH+](C)C(C)CC,0,GDB ChEMBL
365742,NC1(CCC(=O)[O-])C2C[NH2+]C21,0,GDB ChEMBL
380253,CC[NH+](C)CCC#CC[NH3+],0,GDB ChEMBL
227953,C#CC(C)(CC)Cc1cc(C)c(Cl)c(C#N)c1,1,GDB ChEMBL
26968,CC(CCC1=CCCC1)c1ccc(Cl)cc1,1,GDB ChEMBL
95224,CCCCC(C)CCCC1(C(C)(C)C)C[NH2+]1,0,GDB ChEMBL
155785,CCC1CCCC2CC23C=CC(=O)N13,0,GDB ChEMBL
89655,COC1C(C(N)=O)NS(=O)(=O)CCC2NC21,0,GDB ChEMBL
286112,CC1(CCO)COC(N)=[NH+]C2CCCC21,0,GDB ChEMBL
321934,C[NH2+]CCNC(=[NH2+])C1(C)CNC(=O)C(CO)C1,0,GDB ChEMBL
89143,CCC1CC[NH2+]C2(C=CNC1=O)CC2,0,GDB ChEMBL
201440,CCCCC1NC(=O)N(CC=O)C1(C)C,1,GDB ChEMBL
215814,CN1CC1C(OC(N)=O)C(=O)[O-],0,GDB ChEMBL
140172,NC(=O)Cc1cc(C(N)=O)cc(O)cscn1,0,GDB ChEMBL
303307,CCC(C(F)(F)F)C1(C)C(O)CC(C)(C)C1C,0,GDB ChEMBL
204395,CCc1cc2cc[nH]c2c(Br)c1CC[NH3+],0,GDB ChEMBL
164693,CC1CCOCCC(C)O1,1,GDB ChEMBL
240375,COC1(C)C(C)C(C)OCCC1(C)NCC#N,0,GDB ChEMBL
234417,CNc1nc(N2C3C(=O)NCC([NH3+])C32)cs1,0,GDB ChEMBL
254959,C#CCCC1(CC)C[NH+]2CC(O)C1C2C,0,GDB ChEMBL
241155,COC1C=CC2(OC)C([NH3+])CNC(=O)OC12,0,GDB ChEMBL
16062,CC1CNC(C(C)CO)=[NH+]1,0,GDB ChEMBL
87108,CCC1=CC(CC[NH3+])CCCOC1,0,GDB ChEMBL
23512,O=C1NC=CC2C[NH2+]CC1OC2,0,GDB ChEMBL
139808,CCC(C(N)=O)C1([NH2+]C)CC(O)C1,0,GDB ChEMBL
13781,COC1CC2C3CCCC3=CC2C(O)C1C,0,GDB ChEMBL
215892,CC1CC1C1CCC(O)CO1,1,GDB ChEMBL
136020,C#CC1Cc2cc(Cl)cc(Cl)c2C1C(C)CC,0,GDB ChEMBL
354464,CCC1(CN(C(N)=O)C(N)=O)OC1CO,0,GDB ChEMBL
205940,CC(C)(O)C1C2CCC(C=O)[NH+]1C2,0,GDB ChEMBL
84486,CC1CC2C3[NH+](C)CCC23O1,0,GDB ChEMBL
141788,CC(C)C1=CCC#CC[NH+](C)CC1,0,GDB ChEMBL
314914,Cc1cc(Cl)cc(CC(F)(F)F)c1,1,GDB ChEMBL
305518,C=C(C)c1ccc2c(c1)CC(C)C2,1,GDB ChEMBL
338127,N#CC12CC(O)C(C(O)CO)(CC(=O)[N-]1)C2,0,GDB ChEMBL
235186,CC1(C[NH3+])NC(=O)NC(=O)COCC1C[NH3+],0,GDB ChEMBL
87480,COCCC1[NH2+]CC2(N)C(CC#N)C12,0,GDB ChEMBL
202830,CCCC1C=C(C)C=CC(C)C1,1,GDB ChEMBL
108163,COCC(O)(CS(C)(=O)=O)C(=O)C(=O)[O-],0,GDB ChEMBL
292687,C#Cc1cn(CCC=O)c2nc(N)cc(F)c12,1,GDB ChEMBL
140378,COCCCC1CNC(=[NH2+])C1(C)OC,0,GDB ChEMBL
94605,CC(=O)OC12C(=O)NC3C1COC32,0,GDB ChEMBL
277091,CCOCC(CCC(C)(C)CC)NC(C)=[NH2+],0,GDB ChEMBL
124115,CCC1(CC2CC[NH2+]C2)CC(C)C(C)[NH2+]1,0,GDB ChEMBL
142409,CC1NC(=O)CC2C(O)C2(C(=O)[O-])C1[NH3+],0,GDB ChEMBL
137100,CC1OC(C)C(C(C)(C)O)O1,1,GDB ChEMBL
220190,CC#CCc1ccc(F)c2c1OCC2OC,1,GDB ChEMBL
358225,CCNC(=O)C(O)CNC=[NH+]C,0,GDB ChEMBL
363009,NC(=O)Oc1ccc(O)c(N)n1,1,GDB ChEMBL
340530,CS(=O)(=O)NC1C2C(=N)NC(=O)C12O,0,GDB ChEMBL
182071,COC(=O)CC(C#N)OC(=O)CO,1,GDB ChEMBL
109466,CCCCCC1CCC(=[NH2+])NC(C)C1CCC,0,GDB ChEMBL
156088,CN=C1OC(CO)C(OC)C1=O,0,GDB ChEMBL
372659,N#CCN1CC2C(C1)C2C(N)C(N)=[NH2+],0,GDB ChEMBL
258209,CCC(C)(C)Cc1cnccc1CC(N)=O,0,GDB ChEMBL
60120,CCCC1C=C(CNC=O)CC1,1,GDB ChEMBL
17335,CC([NH3+])(CCO)C(O)CCO,0,GDB ChEMBL
61543,CCCc1ncn(C(=O)NC(=N)N)n1,1,GDB ChEMBL
330062,C[NH2+]CC(O)C(N)C1(C(=O)[O-])OCC1O,0,GDB ChEMBL
174210,C#CC1([NH+](C)C)C(CCOC)C1(C)C,0,GDB ChEMBL
328810,CC1=CCCCC2C=CC(CC2)C1,0,GDB ChEMBL
197244,CC1=CC[NH+](C)CCCCC#CC1O,0,GDB ChEMBL
150120,CC1C(=O)OC2OCC([NH3+])C(O)C21,0,GDB ChEMBL
174917,NCC1[NH2+]C2CCC(CCO)OC1C2,0,GDB ChEMBL
302293,CC(C(=O)NC(=N)N)C1C2C(O)C[NH2+]C21C,0,GDB ChEMBL
41127,C#Cc1cc(C)c2c(c1Br)CC(C)(C)C2,1,GDB ChEMBL
39998,CC(C)C12C[NH+](CC13CCCO3)C2,0,GDB ChEMBL
77380,NC(=[NH2+])C(C[NH3+])C1OC(=O)C(N)C1O,0,GDB ChEMBL
54804,N#Cc1c[nH]c(N)n1,1,GDB ChEMBL
69568,CNc1nc2c(o1)C(C)CNC2=O,0,GDB ChEMBL
274036,CC(CC1CC1[NH3+])C(O)CO,0,GDB ChEMBL
372183,C#Cc1c(CCCCO)n[nH]c1C(=O)OCC,1,GDB ChEMBL
340099,CN1C2C(CS1(=O)=O)NCC(C#N)C2O,0,GDB ChEMBL
320761,N#Cc1cnn2c1C(=O)NCC1CC2CO1,0,GDB ChEMBL
23634,CCC1CC2COCCC(CC)(CCC1=O)O2,0,GDB ChEMBL
350268,CC(=O)C(C)C1(COCC#N)CCCC[NH2+]C1,0,GDB ChEMBL
156733,CC1C=CCC2(C)C(C1)NC(=O)C2O,0,GDB ChEMBL
181168,CC(C)CCCC1CC(C)C([NH+](C)C)C(C)C1,0,GDB ChEMBL
92846,CC[NH+]1CC(C[NH2+]C)=CC(C)(C)C(O)C1,0,GDB ChEMBL
104702,CC1(O)CC2C=CCC(O)CC=CC(C1)O2,0,GDB ChEMBL
247236,CC1CC(OCCCN2CC2)C1,1,GDB ChEMBL
382970,C#CC(C)(CCO)c1csc(NCCCC)c1,0,GDB ChEMBL
330353,CCOC(=O)C1CCC(C)CC2COC1C2O,0,GDB ChEMBL
354762,CC1C(C(CO)NS(C)(=O)=O)N1C(N)=O,0,GDB ChEMBL
236734,C#CCCc1cc(CC)c(I)cc1CC,1,GDB ChEMBL
223297,CCC1CN2C(=O)C([NH3+])C3CC3C12,0,GDB ChEMBL
393570,C#CCC1CC(C)(C)C(C)CC(O)C1CC,0,GDB ChEMBL
284753,CN(C)C(C[NH3+])C(=O)Nc1csnn1,1,GDB ChEMBL
385348,CC12CCC(C#N)(CO1)C2CC1CC1,0,GDB ChEMBL
252319,CCC(C(=O)[O-])N(C=NC)C(N)=O,0,GDB ChEMBL
143508,C#CCC1(CC(C)(OC)C(CC)CC)CC1,1,GDB ChEMBL
228853,CC[NH+]1CCC=C2CCC=C2C1,0,GDB ChEMBL
79337,CCC1(C(C)CCO)C(=O)OC(C)(CO)C1[NH3+],0,GDB ChEMBL
43952,CCC(N)(C#N)C12OCCC[NH2+]C1C2CO,0,GDB ChEMBL
236570,COC(C[NH3+])C(C(N)C#N)N(C)C,0,GDB ChEMBL
216134,[NH3+]CC1CNC(=O)C(CO)=CCO1,0,GDB ChEMBL
207922,CCc1cc(C(C)C(C)C)c(C)c(I)c1C#N,1,GDB ChEMBL
308111,CC1CC(=O)N(C)C2C(O)C2N1,0,GDB ChEMBL
393941,C#CCC1N(C)CC(CCC)NC1(C#C)C#N,0,GDB ChEMBL
366574,CC(=O)NC1CC2([NH3+])CC23CCC(C)C13,0,GDB ChEMBL
223298,COC1(C)CNC(=O)CC(O)CC(=O)CO1,1,GDB ChEMBL
221903,CCc1cc(C)cc2c1CC1CC21,1,GDB ChEMBL
204534,COC(=O)NC(=N)N1CC(N)C1=N,1,GDB ChEMBL
171852,CC1C2C(C(=O)[O-])C3CC3C(=O)N12,0,GDB ChEMBL
170308,COC1C(O)C(NC=O)C(CO)C(C)(O)C1O,0,GDB ChEMBL
227927,[NH2+]=C1COCC(CCC(=O)[O-])(C(=O)[O-])N1,0,GDB ChEMBL
276131,NC1=NC2C(=O)NC(C([NH3+])C(=O)[O-])C2O1,1,GDB ChEMBL
112048,CCC1C2[NH+]=C(N)NC(C)(C(=O)[O-])C12O,0,GDB ChEMBL
276112,CCC1[NH2+]CCC1=CC(=O)C(N)=O,0,GDB ChEMBL
301499,CNC(=[NH2+])Nc1cc(CCO)c2c(c1)CCC2,0,GDB ChEMBL
180840,CCCc1cc2n(n1)C(=O)CN2,1,GDB ChEMBL
307535,OCCc1csc(C2CC2)c1,1,GDB ChEMBL
259560,CC(C)(C)C1CC(CC(F)(F)F)[NH+]2CC12,0,GDB ChEMBL
80212,[NH3+]C(CO)(CO)CCS(=O)(=O)N1CC1,0,GDB ChEMBL
345816,C#CCC(C)[NH2+]CC(C)(C[NH3+])CCOC,0,GDB ChEMBL
42262,CCC(CO)CC(C#N)OC,1,GDB ChEMBL
100727,C#CC[NH2+]CC1CC2(C)OCCCCC=C12,0,GDB ChEMBL
150511,CC([NH2+]C1CCCC1)C1COCCN1,0,GDB ChEMBL
31417,C[NH2+]CC(N)C(O)CCOC,0,GDB ChEMBL
181738,C#CCC1NC(COC)C(CCC)[NH+]=C1N,0,GDB ChEMBL
298067,C=C(CC)c1nccc(CC)c1F,1,GDB ChEMBL
342363,COC1OC(C)(C)CCC(C)C1N(C)C=O,0,GDB ChEMBL
48022,CN1CC(C=CCO)NCCC1=O,0,GDB ChEMBL
269176,CCOC(=O)COC1COCOC(C)C1C[NH3+],0,GDB ChEMBL
146900,COC1CN(C=O)CC(=O)CCNCC(=O)O1,1,GDB ChEMBL
193262,CC12OC1C(CCO)C(=O)OC2C[NH3+],0,GDB ChEMBL
184283,C=CC(=CC(C)CC1CC1)CCC,1,GDB ChEMBL
127055,Nc1c(C2CCC2)n[nH]c1C(=O)[O-],0,GDB ChEMBL
218325,NS(=O)(=O)CC(CC[NH3+])C1=NCC(O)CO1,0,GDB ChEMBL
372522,COCc1c(C(N)=O)n[nH]c1C,1,GDB ChEMBL
335495,CC(=O)NC1C(=O)OC(C(O)C(=O)[O-])C1N,0,GDB ChEMBL
81133,CCC1[NH2+]CCCCC1C1C=CCC1,0,GDB ChEMBL
330518,C[NH2+]CCCCC12C[NH2+]CC(CC(C#N)C1)C2,0,GDB ChEMBL
376014,COC(=O)C1Cc2c([O-])nsc2N1CCO,0,GDB ChEMBL
379875,CNc1ccc2c(n1)CC(C)(C[NH+](C)C)C2,0,GDB ChEMBL
278150,C[NH+]1CC2CC3C2NC(=O)NCC31,0,GDB ChEMBL
61253,CC1=CC23C[NH+](C)C(C)C2C3CC1,0,GDB ChEMBL
301198,CC1C[NH2+]CCC(O)C1=O,0,GDB ChEMBL
64619,COC1CN(C)CC2CC2(C(=O)CO)O1,0,GDB ChEMBL
118897,N#CCC1CCC(O)C2CC2CC[NH2+]1,0,GDB ChEMBL
216607,CCCCC1CC(C)C2C(CC=O)C12,0,GDB ChEMBL
190524,CC1C2CC(NC2=O)C(C)(C)C(C)(O)C1C,0,GDB ChEMBL
291903,CC(C)COC(C)C1CC(C[NH3+])C1(C)O,0,GDB ChEMBL
235965,C[NH+]=C(N)OC1COCC1[NH3+],0,GDB ChEMBL
127247,CC1=CC2=CC(CCC(O)C1)C(C)(C)C2,0,GDB ChEMBL
210418,CCNC(=O)C1=CN(CC2(C)CC2)CC1O,0,GDB ChEMBL
92292,C#CC(C)(O)CCCC1CCCCC1C,1,GDB ChEMBL
24288,CCC(O)CC1OC(=O)C1NC,1,GDB ChEMBL
148756,CCCc1c(C)c(OC)c(C)c(N)c1NCC,1,GDB ChEMBL
190135,CCN1CC(CO)(C(=O)OCC[NH3+])CCC1=[NH2+],0,GDB ChEMBL
142956,C[NH+](C)CC12CC1CN(CC([NH3+])CO)C2,0,GDB ChEMBL
151146,C#CCC1(C)C(C)=CC(=O)C1CCOC,0,GDB ChEMBL
244442,CCOCCC(CC)CC1CC1,1,GDB ChEMBL
283257,CCN(C=O)CC[NH+]=C(N)NC(N)=O,0,GDB ChEMBL
63144,Oc1ncnc2ccnc(I)c12,1,GDB ChEMBL
185341,CCc1cc(Br)c2c(c1C)C1C(C)C1C2=O,1,GDB ChEMBL
381473,C[NH2+]C(CO)C1CC2CC(O)C(C(N)=O)C21,0,GDB ChEMBL
330350,C[NH+](C)CC1C2CC1C1CCC12,0,GDB ChEMBL
124806,NC(=O)CNCC1NC(=[NH2+])CC1N,0,GDB ChEMBL
244542,COC1C2N=C(N)OC(C)C21C(=O)[O-],0,GDB ChEMBL
313759,CC1COC(C(N)=[NH2+])CNC(=O)N1,0,GDB ChEMBL
398162,CC1COC2CN1CC1CC2(C#N)C1,0,GDB ChEMBL
297025,CC(O)COC(=O)NC1=NCCN1C,1,GDB ChEMBL
41110,N=C(N)C(=O)N1CCC(O)C1CS(N)(=O)=O,0,GDB ChEMBL
374060,CC(=[NH2+])N1CC2CC2CC1C,0,GDB ChEMBL
349646,CCC(=O)C1(O)C[NH2+]C1,0,GDB ChEMBL
42563,CCC1C(O)COC1C(O)C[NH3+],0,GDB ChEMBL
195267,CC[NH2+]C1CC2(CC(C)CC2O)CC1CCO,0,GDB ChEMBL
44540,CN(C(N)=O)C(=O)c1cc(N)n(C)n1,1,GDB ChEMBL
160389,CCC(C)[NH+]1C(C)CCC2OCC21,0,GDB ChEMBL
247228,CC(O)C(O)C1NC(=O)CC([NH3+])C=CC1C,0,GDB ChEMBL
155182,CC#CC1([NH2+]CCC)CC([NH3+])C1,0,GDB ChEMBL
132832,COC1C=CNC(=O)CC(=O)O1,1,GDB ChEMBL
269319,CC1(O)CC2CC([NH3+])C[NH2+]C1C2,0,GDB ChEMBL
82132,Fc1cccc2c1CCCC=CC21CC1,1,GDB ChEMBL
287039,CNC(=O)C1OCOC(=O)CC1O,1,GDB ChEMBL
9783,CCNc1c(C)cn2c1CC(C)(C)CC2CC,1,GDB ChEMBL
356812,CCCC1OCCCCC(C(C)CC(C)C)O1,1,GDB ChEMBL
202005,CC1C2C(CCO)C3C[NH+]1CCC32,0,GDB ChEMBL
26995,CC1C2C=CCC=CC(C2)C1CC[NH3+],0,GDB ChEMBL
318404,CCC(C)C(C)(CCC(C)C)C1CCCC1C,0,GDB ChEMBL
218811,CC1(O)C(CC(=O)NC=O)C1C(O)CC[NH3+],0,GDB ChEMBL
2986,CC1CC2([NH3+])CC3CCC[NH+]3C(C2)C1C,0,GDB ChEMBL
203293,CC(CC(=O)[O-])S(=O)(=O)NCC#N,1,GDB ChEMBL
76948,CC#CC12C3CC(O)C1C2[NH+](C)C3,0,GDB ChEMBL
13842,CC1CC[NH+](C(C)C)C2C[NH2+]CC(CO1)C2C,0,GDB ChEMBL
131899,CC1C[NH+]=C(N)NC(C)C(C[NH3+])C([NH3+])C1,0,GDB ChEMBL
173847,N=C1NC(C(N)=O)CN=C1OCCCC(=O)[O-],0,GDB ChEMBL
225419,CC1CC2(C)C(CS(N)(=O)=O)N2C(=O)O1,0,GDB ChEMBL
26378,O=C(CO)C1C[NH2+]CC12CC2,1,GDB ChEMBL
29752,CC1CCC(C)C2C1C21CCCCC1,1,GDB ChEMBL
199063,COC(C)(C)C(=N)Oc1ccc(I)cc1C[NH3+],1,GDB ChEMBL
390524,CCC(=O)N(C)C(=O)C(N)=O,1,GDB ChEMBL
79604,CCC(C)(C)C1C2CC=CCC21,0,GDB ChEMBL
391748,CC1=CC2C3CCC2C1OC3=O,0,GDB ChEMBL
71684,CC[NH+]1CCC2=C(C1)C1CCC2C1C,0,GDB ChEMBL
208430,CCCc1cccc(CC(C)C(C)C(C)C)c1,1,GDB ChEMBL
108713,CC1CC=C(C(C)C)CO1,1,GDB ChEMBL
377024,C1=CC2CC[NH2+]CC=C2CCCCC1,0,GDB ChEMBL
217692,CCC1CC2CC(CC)(C1)NC(=O)CC2C,0,GDB ChEMBL
304606,CC(=O)CCc1c(N)[nH+]c(N)n1C,0,GDB ChEMBL
107706,N=C1OCC2C(O)C(=O)NCC(=O)N12,0,GDB ChEMBL
43529,CC1=CC2CC3(CCC1)C[NH+]2C3,0,GDB ChEMBL
18888,Cc1cnc(C(N)C(O)(CO)C(N)=O)nc1N,0,GDB ChEMBL
286821,N#CCCN(CC[NH+]=C(N)N)C(=N)C=NO,0,GDB ChEMBL
351364,C#CC(CC[NH+](C)CCC)CC(=O)C(C)=O,0,GDB ChEMBL
339948,CN(CC(CO)CC(N)=O)C1CNS(=O)(=O)C1,0,GDB ChEMBL
222534,CCCC1CC2(C)CC=CCC2C1C,1,GDB ChEMBL
190296,C#CCCC([NH3+])CC(=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
297251,C#Cc1nccc(NC)n1,1,GDB ChEMBL
337404,CCC1C(C)C(C)(C)C(C(C)(C)C)[NH+]1C,0,GDB ChEMBL
13806,O=C(NCCO)C1OC2C3NS(=O)(=O)C1C32,0,GDB ChEMBL
47785,NC(=O)OC(CO)CC1CC(=[NH2+])NC(N)=N1,0,GDB ChEMBL
366615,C[NH2+]C1CC(C#N)N2C1C(OC)C2(C)C,0,GDB ChEMBL
393942,CC[NH2+]C1C(C)C1C([NH3+])CC1CCC1,0,GDB ChEMBL
200747,CCC(CNCC(F)(F)F)=NO,1,GDB ChEMBL
285570,CC(C)CC(C)C12C[NH2+]CC(CC1[NH3+])C2,0,GDB ChEMBL
147430,NC(=O)C(C(=O)[O-])C1C([NH3+])CC2OC21,0,GDB ChEMBL
394281,CCC12CCC([NH2+]C1)C([NH3+])CCO2,0,GDB ChEMBL
18818,CN1C(=[NH2+])C2COC(COc3cccc1c3)C2,0,GDB ChEMBL
260190,CCc1c(O)cc(O)nc1C,1,GDB ChEMBL
76931,CC1C2CC2C1NC(=O)C[NH3+],1,GDB ChEMBL
306325,CNCC(C#N)(C#N)CC(C)C[NH+](C)C,0,GDB ChEMBL
243778,CC(=[NH2+])NC1=NC(COCC(N)=O)C(O)C1O,0,GDB ChEMBL
239087,N#CCOc1cccc(OC(CO)C(=O)[O-])n1,0,GDB ChEMBL
199437,CC(O)C1CCC([NH3+])CC2CC21,0,GDB ChEMBL
193242,O=C1OCCN1C1CC1O,1,GDB ChEMBL
383782,CCC1CCCC=CC2CC2C(C)C1,0,GDB ChEMBL
398919,CC1C(S(N)(=O)=O)C2CCN1CC(=O)N2,0,GDB ChEMBL
48040,CCC12CCCC1CC(C)C[NH+]1CCC2(C)C1,0,GDB ChEMBL
375854,CN=C(C[NH+]=C(N)N)N1CCC(C)(O)CC1=O,0,GDB ChEMBL
325726,CC#CC1(O)C2C(O)CCC21COC,0,GDB ChEMBL
322911,C[NH2+]C1CC2COC(C(C(N)=O)N2)C(N)C1O,0,GDB ChEMBL
214394,C[NH2+]CC1(O)CCCC1(C#N)C=O,0,GDB ChEMBL
216193,C#Cc1cc(F)c(F)c2c1CC(C#N)N2C,1,GDB ChEMBL
347021,C1=CCC([NH2+]CC2CC2)CC1,0,GDB ChEMBL
11251,NC(=O)C([NH3+])C1NS(=O)(=O)CC1C[NH3+],0,GDB ChEMBL
266433,CC1(CCN(C=O)C(=N)N)CO1,1,GDB ChEMBL
13804,C[NH2+]CC1(C[NH3+])CC(C)(C(C)OC)NC(=O)O1,0,GDB ChEMBL
363266,CC1CCC=C2c3ccccc3CC21,1,GDB ChEMBL
184667,CS(=O)(=O)NC(=N)CC(CO)CC#N,1,GDB ChEMBL
204833,C#CCCCCC1(C)CCC2C[NH2+]CC2C1=O,0,GDB ChEMBL
155176,CNC(=O)NC1CC2(C)CC(O)C1C2C[NH2+]C,0,GDB ChEMBL
64642,CCC12CCC(C)C(C)[NH+](C)CC1(C)C2,0,GDB ChEMBL
171315,C#Cc1cc(C2(C[NH3+])CC2)c(CC)c(C)n1,0,GDB ChEMBL
292549,[NH3+]C12CN(C1)CC2(O)C(=O)OCCCO,0,GDB ChEMBL
194263,C#CC12CC(C)C[NH+](CCO1)C2,0,GDB ChEMBL
46020,C[NH+]1CC=CCCC12CCCC2,0,GDB ChEMBL
81105,CCC1CCC=CCC2CCC2C1,0,GDB ChEMBL
113616,COCC1CCC(C([NH3+])C(C)C#N)C1,0,GDB ChEMBL
264944,c1ncc2nsc(NCC3CCCC3)c2n1,1,GDB ChEMBL
391778,NC(=O)NC(CC1([NH3+])C(N)C1O)C(N)=O,0,GDB ChEMBL
223538,CCC1CC[NH2+]CC(O)C2CCC1O2,0,GDB ChEMBL
296295,CCc1nc(NCC2(OCCO)CC2)c[nH]1,1,GDB ChEMBL
40227,CCc1ccc2c(c1Cl)C(C)=CCOC2,1,GDB ChEMBL
186658,C#CC1C2Cc3cc(C)c(F)cc3CC12,0,GDB ChEMBL
281042,CC(CCCC[NH3+])C1C(C)CC(C)(C)CC1C,0,GDB ChEMBL
133947,CN(CCO)C(=[NH2+])C1C(N)C[NH2+]C1C(O)C[NH3+],0,GDB ChEMBL
202521,CC1[NH2+]C2CC1(O)C2C(=O)[O-],0,GDB ChEMBL
47998,NC(=O)C12C[NH+](C(CO)C1O)C2C(=O)[O-],0,GDB ChEMBL
44972,Cc1nc(C(=O)CN(C)C(=O)CO)[nH]c(=N)n1,1,GDB ChEMBL
48523,CC1[NH+]=C(N)CNC(=O)NC1=O,0,GDB ChEMBL
343970,CC(=O)N1C(C)COC2C3C1CCC23C,0,GDB ChEMBL
23514,CC(C)(C)CC1CC2CC[NH2+]C21,0,GDB ChEMBL
28288,C[NH2+]C1C=CC(C#CCO)C([NH3+])C1,0,GDB ChEMBL
308712,NC(C[NH3+])CC(O)CNC(=[NH2+])C(N)C(=O)[O-],0,GDB ChEMBL
77063,C#CCC(C)C1(CC)CCOC1,0,GDB ChEMBL
144499,CCC(C)C1C[NH+]=C(N)C2CC2[NH2+]1,0,GDB ChEMBL
379159,CCC(C)C(C)C1CN2CC(=O)C1CCC2C,0,GDB ChEMBL
393940,CC1C2CCS(=O)(=O)[N-]C(=O)C(C#N)N12,0,GDB ChEMBL
191294,CCC1CC(C)=CC(C)CC1C,0,GDB ChEMBL
140787,CNC(=O)NC(C(N)=O)C(C)[NH3+],1,GDB ChEMBL
199489,CC[NH2+]C1(C)CCC(C)(COCCC=O)C1,0,GDB ChEMBL
337180,CCOC(C(C)[NH3+])C1OC(N(C)C)=[NH+]CC1O,0,GDB ChEMBL
251922,CC1C=CC2C1N2CCC(=O)[O-],0,GDB ChEMBL
81418,CCC1CC(CC)C(CO)C1O,1,GDB ChEMBL
17462,COC1C2NC(=[NH2+])NCCCS(=O)(=O)C21,0,GDB ChEMBL
354045,CCC(C[NH2+]C)(C(C)(N)C#N)C1(C)OCCO1,0,GDB ChEMBL
372640,CCC(=O)c1conc1CN1CCC1,1,GDB ChEMBL
43524,CC(=[NH2+])N1CC2=C(CC(=O)C2)C1,0,GDB ChEMBL
47726,CC([NH3+])CC1COCC(=O)NC(=O)C(N)C1O,0,GDB ChEMBL
94684,CCC1CCCCC(CO)CC2CNC(=[NH+]1)C2,0,GDB ChEMBL
106609,CCCCC(C)CC1C2CCC(C2)C2CC12,0,GDB ChEMBL
380282,CCCC1(C)CCC(C#N)C2CN21,0,GDB ChEMBL
385473,CC([NH3+])C1=CC([NH2+]CC(=O)[O-])C2OCC12,0,GDB ChEMBL
197046,CC([NH3+])C(CNC=O)OCCO,0,GDB ChEMBL
273993,COCC1CC23CC1CC[NH+]2C3C,0,GDB ChEMBL
271813,C[NH+]1CCCC=C2CCCC1(C)CC2,0,GDB ChEMBL
323325,COC(=O)C(C)n1nnc(C(=O)[O-])n1,0,GDB ChEMBL
45923,N=C1N(CC(=O)[O-])C(N)=[NH+]C12CS(=O)(=O)C2,0,GDB ChEMBL
24063,C#Cc1c(Cl)c(C2OCCO2)cc2nc[nH]c12,1,GDB ChEMBL
31097,CCC1CNc2nc(O)c(O)nc2N1,1,GDB ChEMBL
387243,CCCC[NH+](CC)CC1C(C)C=CC2CC21,0,GDB ChEMBL
175581,O=C1C(O)CC2C(O)C3CC[NH2+]C3C(=O)N12,0,GDB ChEMBL
374066,CCOCC1CC2CC(CC)C1C(C)C2C,0,GDB ChEMBL
40881,O=C([O-])C1CN2C1C(O)CS2(=O)=O,0,GDB ChEMBL
368504,CCC1(C(C)C(=O)[O-])C2CC[NH2+]C(C2)C1(C)[NH3+],0,GDB ChEMBL
127054,C#CCn1cc(N)cc1C1CCCC1,1,GDB ChEMBL
305489,CCC1C[NH+]2CCC([NH3+])C3OCC1C32,0,GDB ChEMBL
366038,CS(=O)(=O)n1cc(C#N)c(N)c1CO,1,GDB ChEMBL
247342,O=C([O-])CC(O)C1(C(O)C(=O)[O-])CO1,0,GDB ChEMBL
229450,CC#CC#CC(C)CCOCC1CC1,1,GDB ChEMBL
67575,CC=C1C2OCC1(C)CC2C[NH2+]C,0,GDB ChEMBL
394886,CCc1ccc(N(C)CC[NH2+]C)c(I)c1I,0,GDB ChEMBL
195325,C[NH2+]CCC1CC=CC(C)C2C[NH+]1C1CC21,0,GDB ChEMBL
259418,CCC1(OC(N)=O)C2CCC1COC2,1,GDB ChEMBL
386424,c1cc(CC23CCCC(C2)OC3)n[nH]1,0,GDB ChEMBL
302456,CC([NH3+])C1C(O)C([NH3+])CNC1(C(N)=O)C(=O)[O-],0,GDB ChEMBL
297256,NC(=O)N1CC2CC(C(N)=O)(C[NH2+]2)C1=O,0,GDB ChEMBL
156154,C=C(CC)C([NH3+])c1c(C)ccn1C,0,GDB ChEMBL
17337,CCOCCC1NC2C(O)C2CC1=O,0,GDB ChEMBL
317738,CC(C)CC1CCc2cccnc2C1,1,GDB ChEMBL
385614,CC1OC(=O)C2(CC[NH3+])CC1[NH2+]CC2C(=O)[O-],0,GDB ChEMBL
251809,CCCNC=[NH+]C1(C(O)C#N)CC[NH+](C)CC1,0,GDB ChEMBL
323309,CCC1OC(=O)N(C)C(=N)C1O,1,GDB ChEMBL
292921,CCC(C(=O)[O-])(C(C)C)C(C)C#N,0,GDB ChEMBL
380574,CC(N)(C#N)Cc1cc2ccccc2s1,1,GDB ChEMBL
104448,C[NH2+]CC1CC[NH+]=C1NC(C)CN,0,GDB ChEMBL
141862,CCC1C2OC(=O)C(C=O)(NC2CO)C1O,0,GDB ChEMBL
216209,Cc1cc(F)nc(CCc2cn[nH]c2)n1,1,GDB ChEMBL
303354,CCC([NH3+])C1C=CCC(O)C1[NH3+],0,GDB ChEMBL
115976,CC(=O)NC1CNC(=N)C(O)(CN)C(=O)OC1,0,GDB ChEMBL
60932,C[NH+]1C2CCCC1C1(C)OC21,0,GDB ChEMBL
75055,NC(=O)C(CC=O)C1C[NH2+]C1,0,GDB ChEMBL
377297,CCCC1C(C)C2C(CC)C(C)C1C1CC12,0,GDB ChEMBL
206992,CCCC1(CC(F)(F)F)C=CC=C1,1,GDB ChEMBL
13836,COCC1NC(C)C(O)(C#N)CC(O)C1[NH3+],0,GDB ChEMBL
332357,NC(=O)c1ncoc(=O)c1[N+](=O)[O-],0,GDB ChEMBL
216502,CC(C)(CC#CC1CC=CC1)CCC[NH3+],0,GDB ChEMBL
7385,COC1CCCCC=C(C)C1C,1,GDB ChEMBL
47212,CS(=O)(=O)C1CN(C2COC2)C1=O,1,GDB ChEMBL
6821,CC1CC[NH+](CCCO)CC1,1,GDB ChEMBL
95541,C#CC1CC(C)C2c3ccc(C)cc3OC12C,0,GDB ChEMBL
39775,CCOC1C([NH3+])CC(CO)OC1C(N)=[NH2+],0,GDB ChEMBL
133323,OCCC12CCC[NH2+]C1CC2,0,GDB ChEMBL
116058,CCC(C=O)NC(=O)C1(C)[N-]C(=O)NC1=O,0,GDB ChEMBL
13909,C#Cc1ccc(OC(C)C)c(Cl)c1C,1,GDB ChEMBL
196506,COC(=O)N(C=O)CCCC1CO1,1,GDB ChEMBL
190834,CN(CC#N)CCC#N,1,GDB ChEMBL
142372,N#CCN(CC1NCC(N)(C#N)C1O)C(N)=O,0,GDB ChEMBL
175571,C#CC(=[NH2+])NCC(O)CO,0,GDB ChEMBL
161784,O=C([O-])CCC1CCc2nnsc2N1,0,GDB ChEMBL
115439,COC1C([NH3+])C2(C(=O)[O-])CCCCOC1(C)O2,0,GDB ChEMBL
32032,CC1=CC2C(C)CC3[NH+](C)CCC1C23C,0,GDB ChEMBL
386618,C[NH2+]CC1CC(O)C2CCC2O1,0,GDB ChEMBL
191718,C#CCc1ccc(C(C)[NH3+])c(F)c1CO,0,GDB ChEMBL
377788,COCC1C(C)N1S(C)(=O)=O,1,GDB ChEMBL
157748,CC1CC(=O)NC[C-](C=O)C(=O)C1,0,GDB ChEMBL
70963,COC1C(C(N)=[NH2+])NC(C)C1C(=O)[O-],0,GDB ChEMBL
24756,CCC(C#N)C1(C)CNC1=O,0,GDB ChEMBL
377780,O=c1cc(F)c(OC2CCCC2)c([O-])o1,0,GDB ChEMBL
352199,CC12CC(=O)OC1CC1CC12,0,GDB ChEMBL
380262,C#CCC(N)(c1cc(Br)cnc1C)C(F)(F)F,0,GDB ChEMBL
192540,CCOC1C(C(=O)[O-])OC2C(C#N)C12,0,GDB ChEMBL
41290,CCCN1C(c2cnco2)=NCC1C(=O)[O-],0,GDB ChEMBL
383816,CC1CC(=O)CN2CC12,0,GDB ChEMBL
29960,[NH3+]CC1CCCCCOC(=O)C1,0,GDB ChEMBL
156049,CC(C)C1CCC(C)C2C1C2([NH3+])CO,0,GDB ChEMBL
214890,N#CC1NC(CO)CC(O)CC2OC12,0,GDB ChEMBL
235701,CCc1cnc(N)cnccs1,0,GDB ChEMBL
92280,C#CC1CCc2cc(F)cc(O)c2C1C,0,GDB ChEMBL
53022,CC1(C(N)=O)CO1,1,GDB ChEMBL
133049,C#Cc1cc(F)c(F)c(N)c1C,1,GDB ChEMBL
273424,CC1(C)C(CO)OCC1C(O)CC=O,0,GDB ChEMBL
116659,CCOc1nnc(C)c2c(Cl)cccc12,1,GDB ChEMBL
261354,CC1NC(=O)C2C(O)CC1C2[NH3+],0,GDB ChEMBL
304604,C[NH2+]CC1CC(=O)CN(C)C1,0,GDB ChEMBL
227505,CCOC(CC1(C)[NH2+]CC(C)(O)C1=O)C(=O)[O-],0,GDB ChEMBL
239377,CN1C(=[NH2+])NCC1(CC#N)C(N)C(N)=O,0,GDB ChEMBL
300667,Fc1cc2c(cn1)CCOC2,1,GDB ChEMBL
379148,CC1C(C)(CO)CC([NH3+])C2OC21C,0,GDB ChEMBL
302445,CN=C(NC(=O)c1nc(N)ccc1C)C(N)=[NH2+],0,GDB ChEMBL
354324,CC1c2ccc(Cl)cc2C2CCCC3C1C23,0,GDB ChEMBL
371746,C[NH+]=C(N)N1C(C)CCC1(C)C[NH3+],0,GDB ChEMBL
208400,C#CC1CC2C(C)[NH+]1C1CCC2(OC)CC1,0,GDB ChEMBL
148494,COCC(CC#N)C(N)=[NH2+],0,GDB ChEMBL
355037,CCC1(C[NH3+])CC(=O)OC(=N)CN1C,0,GDB ChEMBL
393946,C[NH2+]CCCCC(C)C1C[NH+]=C(N(C)C)C1C,0,GDB ChEMBL
121473,C#CC1CC(O)(C(C)CC)CCCCC1OC,0,GDB ChEMBL
143181,CC(C(N)=O)N(C)C(=O)S(=O)(=O)[O-],0,GDB ChEMBL
17643,NC(=O)OC1CN=CN(C=O)C(=O)C1N,0,GDB ChEMBL
48119,C#CC1NC(=[NH2+])CCC1C(C)CC(=O)[O-],0,GDB ChEMBL
259465,CCC[NH+](C)C1CC(=O)NC1C,0,GDB ChEMBL
131629,C#CC([NH3+])C(C)(C)C(C#CCO)C[NH2+]C,0,GDB ChEMBL
83057,CNc1cc(O)c(N)c(O)c1CC(C)=O,1,GDB ChEMBL
1045,COCc1cnc(C(=O)C(=O)[O-])n1C,0,GDB ChEMBL
377923,Cc1cnc2n1CC=CNC2=O,1,GDB ChEMBL
297226,CC(C[NH3+])OC1C2CNC(C(=O)N2)C1C(N)=O,0,GDB ChEMBL
280848,CCOCC1OCCc2cccn2C2CC12,0,GDB ChEMBL
277646,CCNc1cc(C)[nH+]c(OC(=O)CC)c1,0,GDB ChEMBL
218818,CCCCC1C(C)([NH3+])C1(O)C[NH3+],0,GDB ChEMBL
5346,CC1CC([NH3+])C2OC(=O)C13OC23,0,GDB ChEMBL
256027,CCC[NH+]1CC(O)(CC)CC2CC21,0,GDB ChEMBL
118820,CCOCC(O)CC1C=CC2(CCC2)O1,0,GDB ChEMBL
296355,CC(C)(O)C([NH3+])CS(=O)(=O)NC(C#N)CN,1,GDB ChEMBL
276077,C#CCC1NCC(=O)C1C(CCCC#N)[NH2+]C,0,GDB ChEMBL
84210,N=C(NC(N)=[NH2+])N1CC([NH3+])C(N)C1=O,0,GDB ChEMBL
181422,CC(O)CC1CN(C)C(C(C)[NH3+])C12CO2,0,GDB ChEMBL
274844,CC1C2C(O)C[NH+](C2C)C1CN,0,GDB ChEMBL
356806,COC(=O)CN1CCC(C2CO2)CC1,1,GDB ChEMBL
259335,CCC1CC2CC2CC(C(C)(C)O)C1(C)C,0,GDB ChEMBL
19430,N#CC(N)C1OC(C(O)C[NH3+])C(C(=O)[O-])C1O,0,GDB ChEMBL
59583,CC1C=CCCC2C(C1)C1CCCC2(C)C1,0,GDB ChEMBL
252314,C#CCOCc1c(F)ncc(F)c1CO,1,GDB ChEMBL
206830,COC(CO)C1(NC(C)=[NH2+])CC1,0,GDB ChEMBL
259392,CC#CC1CCC2(C)CC(C)CC(C)[NH+]12,0,GDB ChEMBL
36036,C[NH2+]C(C)C(O)c1cnc(N(C)C)cn1,0,GDB ChEMBL
352806,CC1(C)C2C(=O)CC3CCCC321,0,GDB ChEMBL
279962,CC1CC(C(N)=O)NC2C1C2S(C)(=O)=O,0,GDB ChEMBL
301399,CC(OCCC(N)=O)C1NC1C(N)C#N,0,GDB ChEMBL
280495,CN1C2CCC(C1C#N)C(C)(C(N)=[NH2+])C2,0,GDB ChEMBL
256178,C[NH2+]C(CO)C1(COC)CC(O)C1(C)O,0,GDB ChEMBL
191307,CCOCC1C(O)C(C[NH3+])N1C,0,GDB ChEMBL
24014,C#CCC([NH3+])(CC#C)C(=O)[O-],1,GDB ChEMBL
215303,CC(O)CCC1CN(C=O)CC(CO)(CO)C1,0,GDB ChEMBL
279086,CC1(O)C2CC(O)C1C(C[NH3+])C2,0,GDB ChEMBL
207906,CC(=N)N(C)C(=O)C(CO)C(=O)[O-],1,GDB ChEMBL
40427,CCCCC(C)CC1=CCC2CC12C,1,GDB ChEMBL
398884,CC1C(CC(=O)[O-])[NH2+]C2COC1C2N,0,GDB ChEMBL
379177,C=CC(=O)NC(=N)NCC(=O)CC,1,GDB ChEMBL
61946,Cc1csc(NC2C(C)C2(O)CO)n1,0,GDB ChEMBL
62095,[NH3+]CCC1CC2CCC([NH2+]2)C1O,0,GDB ChEMBL
50368,CC1CCCCC2CCC3CCCCC1(C)C23,0,GDB ChEMBL
33324,C#CC1CCCC(C)CC(C)CC(C)(C)OC1,0,GDB ChEMBL
71308,C#CC(CO)C(C)Cc1csc(C([NH3+])CC)n1,0,GDB ChEMBL
214870,CCOC1OC(=[NH2+])NC(CO)C(O)C1[NH3+],0,GDB ChEMBL
386617,CCc1c(Cl)c(C)c(C)c(Cl)c1Cl,1,GDB ChEMBL
18859,CC(C)C(C[NH+]1CCC1)C(C)[NH3+],0,GDB ChEMBL
94832,O=C1NC2=NCC(CC(CO)N2)OCO1,0,GDB ChEMBL
281850,NC1C2(CO)OC(=O)CNC(=O)C12O,0,GDB ChEMBL
191261,N=C(N)NC(=O)N1C(=N)OCC1C[NH3+],0,GDB ChEMBL
218548,CC12C=CC(C(CCCO)C1)C(C)(C)[NH2+]C2,0,GDB ChEMBL
255323,CC1CC2(CC2C(C)C(=O)[O-])N(C)C1=O,0,GDB ChEMBL
50937,CC(Cc1cn(C)nn1)Nc1cnsn1,1,GDB ChEMBL
273423,COC(=N)C(O)C(O)CC(C)OCC(=O)OC,1,GDB ChEMBL
180051,CC1=CCC(C[NH2+]C2CC3CC3C2)CC1C,0,GDB ChEMBL
251401,C[NH+]1C2CC(CC[NH3+])CC3C(C2)C31,0,GDB ChEMBL
258351,C#CC(C)CCc1cc(N)cc(C)c1Cl,1,GDB ChEMBL
67348,CC([NH3+])(CO)CCC1COCC(C[NH3+])C1,0,GDB ChEMBL
177192,CC(=[NH2+])N1CC(C)N(C)C1=[NH2+],0,GDB ChEMBL
259633,CC1C(C(N)=O)NC2C[NH2+]C2(C)C1O,0,GDB ChEMBL
372633,CNC(=[NH2+])C(CC[NH3+])C(C#N)n1cncn1,0,GDB ChEMBL
318734,CNC(=O)N1C(=N)OCC(C)(C(N)=[NH2+])C1=O,0,GDB ChEMBL
266464,COCCN=c1sc(C(C)=O)nn1CC(=O)[O-],1,GDB ChEMBL
244567,CC(CC(N)=O)CN(CC(N)=[NH2+])C1CC1,0,GDB ChEMBL
374004,CC1C2OC(=O)C1S(=O)(=O)NCC2[NH3+],0,GDB ChEMBL
252354,CN1CC(=O)OC2C(C)([NH3+])C2(C)CC1=O,0,GDB ChEMBL
352692,CCCC1CC(C)C1(CC)CCCO,0,GDB ChEMBL
39792,CCC1CCC(C)(c2ccc(I)cc2)C1(C)C,0,GDB ChEMBL
33828,C=C(CC=CCC)CC(CC)CC,1,GDB ChEMBL
138386,CC1OC1c1cccc(S(N)(=O)=O)c1[N+](=O)[O-],1,GDB ChEMBL
334359,O=CCCOC(=O)c1cc(Cl)cc(Cl)c1,1,GDB ChEMBL
48144,C#CCC(C)(CC)CC[NH2+]C,0,GDB ChEMBL
12787,NC(=O)C1CN2C3COC1C(O)C32,0,GDB ChEMBL
300529,CC(C)C1[NH2+]CC2OC(=O)C21,1,GDB ChEMBL
45677,COCC1(O)C([NH3+])C1N(C)C,0,GDB ChEMBL
374173,COC1CNC1C=O,1,GDB ChEMBL
137102,CN1CCOCC1(C)CC[NH3+],0,GDB ChEMBL
143169,CCCCc1c(C(C)(C)[NH2+]C)oc(C)c1CC,0,GDB ChEMBL
29632,[NH3+]CC1CCC2CCC(O2)C1[NH3+],0,GDB ChEMBL
174194,C#CC1C(C)[NH+](CC)C(C(C)C)C1(C)CC,0,GDB ChEMBL
262310,CCC(C)C(C=O)NC(=[NH2+])CO,0,GDB ChEMBL
77824,CCC(C(=O)[O-])c1cscn1,1,GDB ChEMBL
240026,COC(CCCC(F)(F)F)CC1(O)CCCC1,1,GDB ChEMBL
281681,CC(=O)NC(CO)C1CC1S(N)(=O)=O,0,GDB ChEMBL
247513,NS(=O)(=O)OCC(O)CC(C=O)CO,1,GDB ChEMBL
11215,C#CC1C2CC[NH+](C)C(CC)CC1(C)CC2C,0,GDB ChEMBL
109215,Nc1cn2c(n1)CC(=[NH2+])NCC(O)C2,0,GDB ChEMBL
250589,C#CCOCc1ncc(C#C)c(C)c1C(C)C,1,GDB ChEMBL
141768,COC1CCC(=O)C(C)(C#N)CC12CC2,0,GDB ChEMBL
17567,CCOC(CO)c1cnc(Cl)c(C)c1,1,GDB ChEMBL
17438,C#Cc1ncc(C(F)(F)F)c(F)c1CO,1,GDB ChEMBL
221672,CCC1C([NH3+])CC(C)[NH2+]C1C,0,GDB ChEMBL
363197,N#CCOCC1CNC(NCCNC(N)=O)=[NH+]1,0,GDB ChEMBL
338321,C[NH+]1CCC2C=CC(C1)C2C(F)(F)F,0,GDB ChEMBL
44603,CN1CC1C(=N)OCCC(N)=O,1,GDB ChEMBL
218816,O=CCC(O)(CCO)CC(=O)[O-],1,GDB ChEMBL
161049,CC1=CCCC(C)(C)C(=O)CCC1=O,1,GDB ChEMBL
115950,CCCC1(CC)C2OCCN(C)C21,0,GDB ChEMBL
292688,Nc1cc(C2COC2)c(O)nc1N,1,GDB ChEMBL
338510,C[NH+](C)C1C(O)CCC(C#N)CC2(C)OC12,0,GDB ChEMBL
218361,CC(C)(O)c1c(F)c(F)cc2c1CCC2,1,GDB ChEMBL
258008,CCCCCNC1=CC(=O)CC1(C)C,1,GDB ChEMBL
330777,CCNC(=O)N(CC(CC=O)=NO)C(N)=[NH2+],0,GDB ChEMBL
363029,COC(C)C1C(C)C1C(=O)[O-],1,GDB ChEMBL
304448,CCC12CC=C(C)CC1CC(C)(C)CC2,1,GDB ChEMBL
200704,CC1[NH2+]C(C)(C)CC2OCC1C(C#N)C2O,0,GDB ChEMBL
365706,C[NH2+]C1C(=O)NC2C(O)(CCS2(=O)=O)C1O,0,GDB ChEMBL
127038,C#CC1C(C)CC(C)CC1C(C)(C)CCCC,0,GDB ChEMBL
136520,CCC(C)CC1(C)CCCC1C1CC1,0,GDB ChEMBL
280800,NC1C[NH2+]C2C(O)CC(C[NH3+])C12,0,GDB ChEMBL
141760,CCN(c1csc(N)n1)C(C)C#N,1,GDB ChEMBL
165618,CC1C=CC=CC[NH+](CC=O)CCCC1C,0,GDB ChEMBL
112071,CCC1CCCC2CC(CC(C)(C)C)CCC12,1,GDB ChEMBL
11272,CCCC(C)C1CC=C(CC)C1[NH2+]C,0,GDB ChEMBL
4837,CCn1c(OC2CCCC2)cc(C=O)c1N,0,GDB ChEMBL
170291,NC(=O)NC1C(O)C1([NH3+])C(O)CC(=O)[O-],0,GDB ChEMBL
61534,CCC([NH3+])CC1CCCC(C)C1,0,GDB ChEMBL
195481,C#CC(CCCC)C1CC1CC1CC1,1,GDB ChEMBL
174013,CC[NH+](CC(=N[O-])C(C)=O)C1(CCO)CC1,0,GDB ChEMBL
184934,CC(=O)N1C(=N)NC(=O)NCC12COC2,0,GDB ChEMBL
245514,C#CCNCc1nc(N)cc(Br)c1Br,1,GDB ChEMBL
73269,CCC(C)C1=CC[NH2+]CC1,0,GDB ChEMBL
330735,CC(=O)OC1c2c(C#N)ncn2CC(O)C1C,0,GDB ChEMBL
44616,CCCc1scc(N)cc(C)ccc1C(C)C,0,GDB ChEMBL
385651,CNC(=O)C1C(CC[NH3+])N1C=[NH2+],0,GDB ChEMBL
50065,Cc1c(I)cc(CC(C)(C)C)cc1I,1,GDB ChEMBL
354784,OC1(CC(F)(F)F)COC1,1,GDB ChEMBL
85000,CNc1ncnc(COCCO)c(N)ccs1,0,GDB ChEMBL
367802,CCC(C)CC1CC(C)(C)CCOC1C[NH3+],0,GDB ChEMBL
300109,CCC(=O)c1cnc(N)n1C,1,GDB ChEMBL
264985,C=C(C#N)CCNc1ccccn1,1,GDB ChEMBL
124185,COC(C)CC#CCC1CC1,1,GDB ChEMBL
107020,NC(=O)NC12CC(C[NH3+])COC(C1)C2,0,GDB ChEMBL
304846,Cc1oncc(=N)c1C(N)=O,0,GDB ChEMBL
130370,Cc1ccnc2c1CC([NH3+])C1CC1NC2=[NH2+],0,GDB ChEMBL
48114,NC(=O)C([NH3+])Cc1ccsc1[N+](=O)[O-],0,GDB ChEMBL
284782,CCCOCCN1C=[NH+]CC1,0,GDB ChEMBL
30320,C#CCC(C)NC(=O)C(=N)N(C)C(=O)CO,1,GDB ChEMBL
183494,CC12CCC3C(O)CC1OC(=O)C32,0,GDB ChEMBL
93464,C=CCc1cccc(F)c1CCC,1,GDB ChEMBL
190370,CC1(C(CO)=N[O-])CC(=O)C[NH2+]C1C(=O)[O-],0,GDB ChEMBL
44973,CC(=[NH2+])N1C(CN)CC1CN,0,GDB ChEMBL
300967,CC1(CCCC#N)C[NH2+]C2CC(O)CCCC21,0,GDB ChEMBL
379194,[NH3+]CC1NS(=O)(=O)C2C(CC(=O)[O-])OC12,0,GDB ChEMBL
254903,NC(=[NH2+])NC12C3CN(CCO)C1CC[NH2+]C32,0,GDB ChEMBL
259693,CC12CCC(O)C1C(N)=[NH+]C2C(N)=O,0,GDB ChEMBL
15571,C#CCCC(C[NH3+])C1C(C)N1C(N)=O,0,GDB ChEMBL
306316,COC(=O)C(COC(=O)C(CO)CO)=N[O-],0,GDB ChEMBL
297057,COC=NC(CNC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
181534,CCC1CCCCC(C)(C2CCC(C)(C)C2)C1,0,GDB ChEMBL
120511,N#CC1CS(=O)(=O)NC2C(O)CC(=O)NC12,0,GDB ChEMBL
277850,CN1CC23CC([NH3+])C(C1=O)C2O3,0,GDB ChEMBL
195364,N=CNc1ncnc(C[NH3+])c1CCO,0,GDB ChEMBL
30315,N#CC(N)CC(N)C([NH3+])C(O)CCC[NH3+],0,GDB ChEMBL
191543,CCC1C2CCC(O)(C2)CC1C(C)CC(C)C,0,GDB ChEMBL
29745,CCC1CC2C(O)C(CO)[NH2+]C12,0,GDB ChEMBL
182922,CCOC(=O)C1(O)C2NC(=O)NC21C,0,GDB ChEMBL
184100,Fc1ccc(-c2ccoc2)cc1,1,GDB ChEMBL
141977,CC1CC[NH2+]C2CCOC(C)C12,0,GDB ChEMBL
190330,CC(O)COC12CC(CO)CC(COC1=O)C2,0,GDB ChEMBL
371721,CC(O)C(=N)OC(=O)N(C)C,1,GDB ChEMBL
235236,CCC1CCC=CC=C(C)C1OC(C)(C)C,0,GDB ChEMBL
181713,C#Cc1ccc2c(C(C)C)c(C)c(I)cc2c1,1,GDB ChEMBL
226205,CCC(CC(CC)C(C)(C)O)C1CO1,0,GDB ChEMBL
29780,N#CCNCCc1nocc1CO,1,GDB ChEMBL
64328,N#CCCN(C=N)C(=O)C[NH3+],1,GDB ChEMBL
113593,CNC(=O)N1CCCC(C#N)C(O)C1CO,1,GDB ChEMBL
62530,CC(O)C[NH+]=C(N)CC(C=O)NC(C=O)CO,0,GDB ChEMBL
125584,CCC1CCC(C)(C)N1c1cc(Br)ccn1,1,GDB ChEMBL
228379,CC1CC(O)C(O)C(O)C12OC2CO,0,GDB ChEMBL
19427,C#CC(=O)NC1(c2cn[nH]c2)CC1,1,GDB ChEMBL
360822,CC(=N[O-])c1cn(C)c(N)[nH+]1,0,GDB ChEMBL
304396,COCC1C=CCC=Cc2sc(N)nc2C1,0,GDB ChEMBL
148240,CC1CCC([NH3+])C(C)(C)CC(=O)N1,0,GDB ChEMBL
301393,C[NH2+]CCCc1c(I)ccc(I)c1C,0,GDB ChEMBL
337829,CC1CC(O)C2CCCCC12,1,GDB ChEMBL
45694,CC(O)C(C(N)=O)C(O)C#N,1,GDB ChEMBL
368195,CCC1C(N)=[NH+]CCCC([NH2+]C)C1(O)C(C)=O,0,GDB ChEMBL
48011,C[NH2+]C1CC(N)=[NH+]CC([NH3+])CC1OC,0,GDB ChEMBL
190109,C#Cc1cc(C)nc(NC)c1CC(N)=[NH2+],0,GDB ChEMBL
318014,N#CC1NC1C(C[NH3+])n1cc(C(N)=O)nn1,0,GDB ChEMBL
207008,CC(=N)NC(=O)N1C(=N)NC(=O)C1CO,0,GDB ChEMBL
218315,CCC1CC=CC=CCC1C(C)=O,0,GDB ChEMBL
97204,CC#CC(C[NH2+]CCC)OC,0,GDB ChEMBL
337156,C[NH2+]C1(CN)CNC(=O)NC1CC(N)=O,0,GDB ChEMBL
375844,CC#CCN(C)C(=[NH2+])c1ccsc1,0,GDB ChEMBL
115949,C#CC[NH+](CC)CC1(C)C=CCC1,0,GDB ChEMBL
37624,C#Cc1cc(OCC)c(Cl)cc1CC[NH3+],0,GDB ChEMBL
340133,CC(CC(=O)N(C)C)Cc1c[nH]c(=O)nc1O,1,GDB ChEMBL
228894,CN1CC(N)(c2ncn(C)n2)C(C)(O)C1=O,0,GDB ChEMBL
330397,CC#CC1NC(=O)C2C(O)CC(O)C12C,0,GDB ChEMBL
36186,CC1CC(C)C2(C)C=CC[NH+](C)C12,0,GDB ChEMBL
103521,CC([NH3+])C(C)CNCC[NH3+],0,GDB ChEMBL
30382,CC(O)C1CC(OC=O)C(CC(C)[NH+](C)C)[NH2+]1,0,GDB ChEMBL
362874,Cc1cc(CCO)c(F)c(=N)[nH]1,1,GDB ChEMBL
324023,[NH3+]CCC1OCC([NH3+])CC12CC2,0,GDB ChEMBL
345688,CNc1c(F)c(COC)c(F)c2c1CCC2,1,GDB ChEMBL
227502,CC1=NCCC(C(O)CC(C)C)OC(=O)O1,1,GDB ChEMBL
169040,C=CCC1(C=O)CNC(=N)NC1=O,1,GDB ChEMBL
63107,C#CCCCC1CCCCCC(CCC)C1,0,GDB ChEMBL
72035,CC(CC(C)(C)C)c1n[nH]cc1OCC[NH3+],0,GDB ChEMBL
252672,Nc1cc(C2CC2)cc(N2CC2)c1,1,GDB ChEMBL
234252,CCC1(COC(C)C)COCOC1=O,1,GDB ChEMBL
76814,COC(CC1CCC1)C1(C)CC1,1,GDB ChEMBL
387071,CCC[NH2+]C(C)(C)CCC1CC1,0,GDB ChEMBL
71318,C#CC([NH3+])(CC(CC)OCCO)C(O)C(N)=O,0,GDB ChEMBL
181589,CC(=O)C1CC2(C)CCCOC1C(C)CC2O,0,GDB ChEMBL
174868,CCC(CCC[NH3+])C(C)C1CCC(C)C1C,0,GDB ChEMBL
46056,O=C1NC(CCO)C(=O)C1O,0,GDB ChEMBL
354006,C#CC1C=CC=C(C)CCC[NH2+]1,0,GDB ChEMBL
58459,C#CC1CC(CC(C)CCC)CCCC1(C)C,1,GDB ChEMBL
324064,C#CCCOC(N)=NCC(=O)C(=O)[O-],0,GDB ChEMBL
274897,CC1CC(C)C2CCC2C2CC1C[NH+](C)C2,0,GDB ChEMBL
318099,CC(O)(CO)C1C(C(O)C(=O)[O-])N1C(N)=O,0,GDB ChEMBL
53321,C1C[NH2+]C2CCC(C2)N2CC[NH+]=C2N1,0,GDB ChEMBL
10631,CC1([NH3+])CC(=O)OC2(CCC([NH3+])CC2)C1,0,GDB ChEMBL
354585,C[NH+]1C2C=CCC3CC3CC1CC2,0,GDB ChEMBL
274631,C[NH2+]CC(=O)C12CC1C(C)OC2C(=O)[O-],0,GDB ChEMBL
331692,C#CC1C=CCCC1CCCO,0,GDB ChEMBL
235510,CN(C=[NH2+])CCNC(C)(C)c1cccc(Cl)c1,0,GDB ChEMBL
126893,CCC(C)C1(C)C[NH2+]C(C)C(C(N)=[NH2+])C1,0,GDB ChEMBL
111572,CN1C(=O)CC2C(C1CO)C2S(N)(=O)=O,0,GDB ChEMBL
42545,CCC([NH3+])C1(CO)CC(=N)NC1=O,0,GDB ChEMBL
124144,CC1CCCC23CC(C1)[NH+](C2)C3,0,GDB ChEMBL
190515,CCC1CC(C)C2CCC(CC2(C)C)C1C,0,GDB ChEMBL
40328,CN=C1COC(=O)NCC=C(C)C(=O)O1,1,GDB ChEMBL
124143,CNC1C[NH+]2CC(C)CC2CC1=O,0,GDB ChEMBL
25264,N#CC(O)(C#N)CCC([NH+]=C(N)N)C(=O)[O-],1,GDB ChEMBL
127162,C[NH2+]CCC1NC(=O)C(=O)C1(O)C=O,0,GDB ChEMBL
222567,Cn1ncnc(C(CC(N)=[NH2+])C(=O)[O-])c1=O,0,GDB ChEMBL
28210,CCN1CC2=Cc3cccc(Cl)c3C21,1,GDB ChEMBL
310336,C[NH+](C)C1(C)C(O)CC1C[NH3+],0,GDB ChEMBL
103505,COC(=O)N1CC2(C[NH+]=C(N)NC(N)=[NH+]2)C1,0,GDB ChEMBL
323153,CN1C(CC(C#N)C[NH3+])CC1C(N)=O,0,GDB ChEMBL
120682,O=C1CC(C(=O)[O-])CNC1=O,0,GDB ChEMBL
230501,CN1C(=O)NCCC12CC1CC2C1(C)C,0,GDB ChEMBL
228323,CCc1ccc2c(C)c(O)nn2c1NC(N)=[NH2+],0,GDB ChEMBL
35710,CCC(C)C1CCC2CC=CC1C2C,0,GDB ChEMBL
372506,C[NH2+]CC1(C(C)=O)CC(O)C1,1,GDB ChEMBL
221102,CC(O)C([NH3+])CCCC1CC1,0,GDB ChEMBL
175854,COC(=N)n1nncc1CC(=O)[O-],1,GDB ChEMBL
303361,COCC(=O)NC1C(=O)C(C)N2CCCC1C2,0,GDB ChEMBL
330033,N#Cc1ccc2c(c1F)OC1CC21,1,GDB ChEMBL
148793,CC(C)OC(=O)NCCNC(=O)NCC=O,1,GDB ChEMBL
161783,NC(=O)c1c(CC[NH3+])nc2c(c1F)NCCC2,0,GDB ChEMBL
149407,CC1OCC2(c3cc(CO)ncc3O)CC12,0,GDB ChEMBL
177066,CC(C)(C#CC#N)Cn1ccc(C(=O)[O-])n1,0,GDB ChEMBL
165602,CC1=CC2CC2C(c2cccc(I)c2)C1,0,GDB ChEMBL
338907,C#CC1C([NH2+]CCC)COC1(CCC)C(C)[NH3+],0,GDB ChEMBL
45663,CC(C)C1CC1C1(CCC[NH3+])CC1,0,GDB ChEMBL
299975,O=C([O-])Cc1ncc([O-])nn1,0,GDB ChEMBL
41052,[NH3+]Cc1ccc(C2COC2)c(F)c1,1,GDB ChEMBL
16011,CC(O)(CC(=O)N1C=NCC1)Cc1ncc[nH]1,1,GDB ChEMBL
377007,O=CC1CC2C(=O)NCCC1C(O)C2CO,0,GDB ChEMBL
281964,C[NH+]1CC(C2CC2)=CCC2C([NH3+])CC1C2O,0,GDB ChEMBL
63101,CC1CCCC1C1(C[NH3+])CO1,0,GDB ChEMBL
148812,C#CCCC1[NH2+]CC(CC(O)COCC)C1O,0,GDB ChEMBL
384261,C[NH2+]CC1(CCC(N)=O)CN1,0,GDB ChEMBL
169424,CCc1c(C)cc2c(c1Cl)CCC2,1,GDB ChEMBL
196493,CC1CN(C2CC2[NH3+])C(=O)N1,0,GDB ChEMBL
379353,CCC1C(C)CN(C=O)CCC1(O)CC,0,GDB ChEMBL
254932,CC1(C)CCc2c1ccc(C1CC1)c2F,1,GDB ChEMBL
209438,CC1(C)OC(=O)CCC1C(O)C(=O)[O-],0,GDB ChEMBL
165204,C[NH+]1CC2CC1C1C(=O)N(C3COC3)C=C21,0,GDB ChEMBL
156534,O=CCC1[NH2+]CCC1O,1,GDB ChEMBL
159705,CCC1CC2(C(O)CO)CC1CC2(O)C[NH2+]C,0,GDB ChEMBL
190096,N#CC1CC([NH3+])C(CCO)O1,0,GDB ChEMBL
276101,[NH3+]C1C(=O)NC2C(C1O)C21CNS(=O)(=O)C1,0,GDB ChEMBL
152554,CCc1cnc(NC(=O)C(C)C)o1,1,GDB ChEMBL
227293,Cc1c(Br)cc(O)c(CC(C)(C)CO)c1C[NH3+],1,GDB ChEMBL
257972,CC1CC2CCC(C3CC3)C1C2=O,1,GDB ChEMBL
70815,CCC1CC(C)C2C1OCCC2(C)C#N,0,GDB ChEMBL
193214,CC#CC(C)CC(C)CC(CC)CC[NH3+],0,GDB ChEMBL
91189,O=C1CNS(=O)(=O)C(CO)C(=O)N1,0,GDB ChEMBL
333674,CCNc1cc(F)cc(F)c1F,1,GDB ChEMBL
182866,CCCC1CC2CC1C(C)C=C(C)CC2[NH3+],0,GDB ChEMBL
277141,CC(C)C12CC[NH+](CC3CCCC1(C)C3)C2C,0,GDB ChEMBL
165926,CC1=CC[NH2+]C1(C)CNc1cn(C)cn1,0,GDB ChEMBL
62838,N#CC1(N)CCC(O)(C(=O)NC(=O)CO)C1N,0,GDB ChEMBL
177198,CN1C2CC(O)C1C(=O)C1(CO1)C2,0,GDB ChEMBL
275483,CC([NH3+])CC1OCC(=[NH2+])N(C)CC1NC(N)=O,0,GDB ChEMBL
50116,NC1(C[NH3+])CCC(NC(=[NH2+])OCC(=O)[O-])C1O,0,GDB ChEMBL
292706,CC12C([NH3+])CN1C2C(=O)[O-],0,GDB ChEMBL
274043,CCCCC1C(C#N)CC=CC1(O)CC,1,GDB ChEMBL
160985,CCC#CCc1cccn2c[nH+]cc12,0,GDB ChEMBL
116397,C#Cc1c(Br)cc(CC)c2c1ncn2CC,1,GDB ChEMBL
181561,c1cc2c(s1)CCOC2,1,GDB ChEMBL
281670,NC(=O)Cn1cnc2c(=O)[nH]nnc21,1,GDB ChEMBL
217403,N#CC1CC(O)C(O)C(C#N)N1,0,GDB ChEMBL
288489,C=C(C)CCC(CCC)C(F)(F)F,1,GDB ChEMBL
93395,CC(O)CC1CC(O)CCC(C)([NH3+])C[NH2+]1,0,GDB ChEMBL
307970,C#CC(C#C)C(CC)c1cc(F)c(C)cc1O,0,GDB ChEMBL
393919,N=C1CC(O)CNC(=O)C(=O)O1,1,GDB ChEMBL
111583,CC[NH2+]C(CC)(CC)C(C)O,0,GDB ChEMBL
366043,NS(=O)(=O)CC(CC(O)C1C[NH2+]C1)=N[O-],0,GDB ChEMBL
325262,CC1C[NH+]=C(N)CC1CO,0,GDB ChEMBL
104660,CCCOCC(NC)C1[NH2+]CC1C,0,GDB ChEMBL
70148,CC(O)C([NH3+])C1CCOC2(C1)C(C)C2C,0,GDB ChEMBL
23436,CC1CC2(C)CCC3CC1[NH2+]C2C3,0,GDB ChEMBL
141942,CCC1CCNC(=O)C(CC[NH+](C)C)CC[NH2+]1,0,GDB ChEMBL
375848,CC1COCCCC([NH3+])C1O,0,GDB ChEMBL
152531,CNC(=O)CC1C(O)C2C(C[NH3+])C1C1OC12,0,GDB ChEMBL
94862,C=C1C(=O)NCC2C(C)C=CCC12,0,GDB ChEMBL
277752,C#CC(C)C1CCCC(CC)C([NH3+])C1,0,GDB ChEMBL
122705,C[NH2+]C12CC3CC3C(C1)N(C(C)=O)C(C)C2,0,GDB ChEMBL
276097,CCc1cccc2c1CC1C(C)CC21,0,GDB ChEMBL
340418,C=C(C)C1CC12CC=CCCCC2,1,GDB ChEMBL
111611,CC12C(C(N)=O)[NH2+]CC1N2S(C)(=O)=O,0,GDB ChEMBL
26003,CC[NH+](CC)C1(CC)CC1,1,GDB ChEMBL
322835,N#Cc1c[nH]c(CC2CC(O)CO2)c1,1,GDB ChEMBL
389352,C[NH2+]CC(=O)N(C=N)C(CO)C(C)[NH3+],0,GDB ChEMBL
5910,C[NH2+]C(C)C1COC2C(C)C(C)OC(CO)C12,0,GDB ChEMBL
182125,CC([NH3+])(CO)C(O)(CN)C(=[NH2+])NC1CCCC1,0,GDB ChEMBL
42584,C1=C2CCCCC(C2)OCC2CCC(C1)C2,0,GDB ChEMBL
274587,CC(O)C(CO)N1CC2C(C1=O)C2(C)O,0,GDB ChEMBL
48716,N#CCC1=CC(CC(=O)[O-])C(O)C1,0,GDB ChEMBL
101522,CCC(=O)C(O)(CS(=O)(=O)N(C)C)C(N)=[NH2+],0,GDB ChEMBL
233954,CC1C(O)C2CC(C[NH3+])(CO)C1O2,0,GDB ChEMBL
139802,C#CCN=C1NC(C(=O)[O-])C(C[NH3+])O1,0,GDB ChEMBL
309637,CCC1C(C)NC(=O)C(N)CC([NH3+])C1(O)CC,0,GDB ChEMBL
227906,C#CC(CCC)C1=CC(O)CC[NH2+]C1,0,GDB ChEMBL
251843,[NH2+]=C1CC2(COC2)CC(O)C=CCCN1,0,GDB ChEMBL
319146,C#CCCNC(=[NH2+])Nc1ncc(C#C)c(N)n1,0,GDB ChEMBL
166400,CC[NH2+]Cc1cnc(C(=O)[O-])s1,0,GDB ChEMBL
283276,CCC1CCC(C)CCC1[NH2+]C1CCCC1,0,GDB ChEMBL
28373,COC1CC(C)(OC(N)=O)COC(=O)C1N,1,GDB ChEMBL
150118,CCOc1c(C#N)ccn1C,1,GDB ChEMBL
124271,C#CCC(CC)(CC)C1CC1COC,1,GDB ChEMBL
307994,COC(C)CC#CC(C)Cc1cc(C)no1,1,GDB ChEMBL
135426,CC1CN2CC([NH3+])C1C(O)C2C#N,0,GDB ChEMBL
238005,N#CC1(N)CC([NH3+])C(C(NC=O)C(=O)[O-])C1O,0,GDB ChEMBL
288535,CCN(C)c1cnc([NH+]=C(N)N)cn1,0,GDB ChEMBL
259604,NC(=[NH2+])C(=N[O-])c1ccccc1,0,GDB ChEMBL
57254,C#CCC([NH3+])C(NC)C(F)(F)F,0,GDB ChEMBL
256124,COCc1cncccc1=O,1,GDB ChEMBL
214027,C[NH2+]CC1NCCC(=O)C=C1N,0,GDB ChEMBL
388455,CC(C)C1CC2[NH2+]CC1C2C,0,GDB ChEMBL
11689,CS(=O)(=O)CC(O)CC(CO)(CO)C(N)=O,0,GDB ChEMBL
375539,CC(=O)C1COC(C2CC[NH+]2C)C1,0,GDB ChEMBL
259152,O=C([O-])C1CC2(OC2C(=O)[O-])C(=O)N1,0,GDB ChEMBL
127265,CC1CC(C2CCC2C)CC[NH2+]1,0,GDB ChEMBL
34430,CC(CC(C)(C)C)OCC(C)OC(C)CO,1,GDB ChEMBL
283963,CC1=C(CO)CCC([NH3+])CC1,0,GDB ChEMBL
288959,C#CCCC1CC=CC[NH+]1C,0,GDB ChEMBL
330922,CNC1C(O)C(O)C(C)C[NH2+]C1C(C)O,0,GDB ChEMBL
157050,C#CC(C)(C#N)NCCO,1,GDB ChEMBL
111574,COC1(C2(C)CCCC2)CC1,1,GDB ChEMBL
164695,CCC(O)C(C)C1CC(C)OC(=O)C1C,1,GDB ChEMBL
345815,C#CC[NH+](C)CCCOC1CCCC1,1,GDB ChEMBL
261390,CCC1(C)C(C)CCC(C)(CC[NH2+]C)[NH2+]C1C,0,GDB ChEMBL
3987,N#CC(CC([NH3+])C(O)CO)NC(N)=O,0,GDB ChEMBL
375543,CCOC(=O)C1N(C(N)=O)S(=O)(=O)CC12CC2,0,GDB ChEMBL
277951,C[NH2+]C1CC2N3CCC[NH2+]C4C3C4C2(C)C1,0,GDB ChEMBL
209679,C[NH2+]CCC(C(C)O)n1cnnn1,0,GDB ChEMBL
191288,C[NH2+]C1C[NH+]=C(N)N2C(=CCC2C)CC1O,0,GDB ChEMBL
249549,C#CCC(CC)CC12CCCCC1[NH2+]C(C)C2,0,GDB ChEMBL
65947,CCC[NH+]1CCC(C)C2CCC1C(=N)OC2,0,GDB ChEMBL
371724,CCCc1nccc(C(C)C)c1CC(F)(F)F,1,GDB ChEMBL
181662,CCOC(=O)C(=O)C(C)=CCOC,1,GDB ChEMBL
181578,CC1NC(=O)C2(C[NH2+]CC1O)OC2C=N[O-],0,GDB ChEMBL
38779,COCC[NH+](C)CC1C=CC(=O)CCC1,0,GDB ChEMBL
104474,CC1CN(c2c(F)cncc2F)C1,1,GDB ChEMBL
350283,CNc1c(C#N)cnc2[nH]c(O)nc12,1,GDB ChEMBL
193272,COC1C(=O)NC(C(=O)C(C)O)C1O,0,GDB ChEMBL
40867,[NH3+]CCC1CCC(C([NH3+])C(=O)[O-])C2CCC12,0,GDB ChEMBL
340519,CC1(C[NH3+])COC(CO)C1[NH3+],0,GDB ChEMBL
189857,COC1C(C)NC(=O)C12NCC([NH3+])C(O)C2O,0,GDB ChEMBL
214009,C[NH+]1CC2CCCC1C1OC21C,0,GDB ChEMBL
308157,CCC1(C)CC2C=CC(=O)NCC1C2,0,GDB ChEMBL
45684,C#CC(C)(O)C(C)(C)c1cccc(N)c1,1,GDB ChEMBL
8667,CC1CC(C)C(C(C)C[NH3+])C(O)C1,0,GDB ChEMBL
338310,CC(O)C1C(C)CC2N(CCO)C12C,0,GDB ChEMBL
345506,COC1CC12CCCC1CCC[NH+]12,0,GDB ChEMBL
244639,NC(=O)OCC(N)=Nc1ccnc(N)n1,0,GDB ChEMBL
266460,C#CC12CCC=C1CCNCC(=O)O2,1,GDB ChEMBL
299699,C[NH2+]Cc1cc(F)cc(C(N)S(=O)(=O)[O-])c1C,0,GDB ChEMBL
121491,CC1CC2C(C(CO)[NH2+]1)C2N(C)C(N)=O,0,GDB ChEMBL
338278,Cc1c[nH]cc1CNC(N)=O,1,GDB ChEMBL
153729,CCCC1CC(CC(C)C)[NH+]1C,0,GDB ChEMBL
215849,C[NH2+]C(C)CN1CC(C(N)=O)S1(=O)=O,0,GDB ChEMBL
182467,CCC1NC(=O)CC1N(C=O)C=O,1,GDB ChEMBL
66125,CCC1CCCCc2c1cc(F)c1c2CCC1,0,GDB ChEMBL
47692,N=C1CC(C([NH3+])CCO)CO1,0,GDB ChEMBL
304389,CCCC1[NH2+]C(C)c2cc(C)cc(Cl)c2C1C,0,GDB ChEMBL
299543,CCC(O)C1C2CCC([NH2+]2)C1C,0,GDB ChEMBL
260681,CNc1cn(C(C)(C)C)nc1CC(C)C,1,GDB ChEMBL
70883,CCCCC(=O)C1=CCCC1C,1,GDB ChEMBL
240820,C#CC(=O)OC(C)C(N)C#N,1,GDB ChEMBL
112805,CNC(=O)OC(=NC(C)C#N)C1CC([NH3+])C1,0,GDB ChEMBL
296096,CC1CC(O)CC(C)C(C(C)[NH3+])C[NH2+]CCO1,0,GDB ChEMBL
33159,CCC1C(C)CCCC2CC(COC)C1C[NH2+]2,0,GDB ChEMBL
251014,CN1C(=O)NC2([C-](C#N)C#N)CC12,0,GDB ChEMBL
214701,C#CC(OC1CCCCC1)C1CC1,1,GDB ChEMBL
297265,CCC1=CC(C)(OC(C)=O)C=CCC1C,0,GDB ChEMBL
210696,CC(CN)(CC(N)=[NH2+])[NH+]=C1NCCCCN1,0,GDB ChEMBL
181671,NC(=O)CCC(N)=[NH+]C1C(O)CNC(=O)C1O,0,GDB ChEMBL
249809,Cc1nc(CC(C)O)c(N)c(C=O)c1F,1,GDB ChEMBL
61744,CC#Cc1ccc(OC=N)cc1,1,GDB ChEMBL
102123,CC[NH+]1CC2CC1(CC(N)C[NH3+])CC2(O)CO,0,GDB ChEMBL
48729,CCCC(C[NH3+])Cc1cc[nH]n1,0,GDB ChEMBL
323361,C#CC(O)(C#C)CC1CC([NH+](C)C)C1,0,GDB ChEMBL
306283,COCC(OC1CC1C(N)=O)S(N)(=O)=O,0,GDB ChEMBL
81464,CC1OC2CCCC(C)[NH+](C2)C(C)C1O,0,GDB ChEMBL
391736,C#CC(C)(C)c1cc2c(Br)cccc2cc1C,1,GDB ChEMBL
80486,C#CC(C#C)C(C)(C)c1c(I)cccc1CC,0,GDB ChEMBL
136712,C=CC(C(C)CCC=O)C(O)CC,0,GDB ChEMBL
71644,CC1COC2CC([NH3+])CCC12,0,GDB ChEMBL
70311,CC1CC(C#N)(C(=O)[O-])C2(C1)C(C)N2C,0,GDB ChEMBL
209439,Cc1c(Br)c(C(C)C)cc2c1CCC2,1,GDB ChEMBL
111615,N=CN(Cc1ccon1)C(N)=O,1,GDB ChEMBL
185304,COC(=O)C1NCCCC1Nc1cccs1,1,GDB ChEMBL
355770,CCCCC1CCC(C)CC1(CO)C(C)CC,0,GDB ChEMBL
18350,N#Cc1ccc(I)nc1,1,GDB ChEMBL
147934,Cn1cnc(O)c1C1OCCO1,1,GDB ChEMBL
204481,CCCC1C[NH+](C)C1c1ccc(C)cc1Br,0,GDB ChEMBL
260688,C#CC1C(CCC)C(C)=CCC1C(C)O,0,GDB ChEMBL
330108,CCCCNc1cnccc1C1CC1,1,GDB ChEMBL
294432,N#Cc1nnsc1NC(=O)C([NH3+])C(=O)[O-],1,GDB ChEMBL
19595,C[NH2+]C(C)C(C)C(=O)NC(=O)C(=O)[O-],0,GDB ChEMBL
372720,CCC1[NH2+]CCCC(=O)C12CC2(C)C,0,GDB ChEMBL
301513,CCc1cc2[nH]ccc2cc1C,1,GDB ChEMBL
368229,CC1(C)CC(C2CC2)COCCC1[NH3+],0,GDB ChEMBL
87139,CCC(CC)C1C2CCC1C(C)O2,1,GDB ChEMBL
338101,NC(=O)N1C(=O)C2NC(=O)C1C2[NH3+],0,GDB ChEMBL
174860,O=C1C=CC2CN1CCCCC#CC21CO1,0,GDB ChEMBL
269366,CC1CC(O)C2C(C[NH3+])C12C#N,0,GDB ChEMBL
176442,[NH3+]C(C(=O)[O-])C(O)C1CC(O)COC1C(=O)[O-],0,GDB ChEMBL
132681,CCC1C[NH2+]C2C3CCC(=O)N3C3CC23C1,0,GDB ChEMBL
312530,CCCn1c(CC)c(Cl)c(=N)c(Cl)c1CC,1,GDB ChEMBL
393524,Cc1c[nH+]cc([O-])c2cc(c(=O)n1C)NCC2,0,GDB ChEMBL
340471,CCC1CCC(C(C)C)CC(C)CCO1,0,GDB ChEMBL
163900,Nc1[nH]c(=[NH2+])cc2c1CCNC(=O)C(=O)N2,0,GDB ChEMBL
129839,CC(=[NH2+])N(C)CC(N)CCO,0,GDB ChEMBL
363548,CC(C)c1cnnn1C1COC1,1,GDB ChEMBL
207929,CCC1=CC(C)C(CO)C(C)C1,1,GDB ChEMBL
180048,CNCS(=O)(=O)CCC(N)=O,1,GDB ChEMBL
318762,CC(=O)CC1(C)CC(O)C(CC(=O)C(C)C)[NH2+]1,0,GDB ChEMBL
380583,CCN1C(=N)C(CCO)C(=NO)C2OC2C1=O,0,GDB ChEMBL
392507,C1CC(C2CNC3CC[NH+]2C3)C1,0,GDB ChEMBL
368177,CCCCC1(CC)CCC(C)C1C(F)(F)F,0,GDB ChEMBL
23928,CC(C)CC1[NH2+]CC(C)C1O,0,GDB ChEMBL
207416,CCc1cc(C#CC[NH3+])c(Br)c(CC)c1C,0,GDB ChEMBL
135827,COC1CNS(=O)(=O)CC2(N)C[NH2+]C1C2,0,GDB ChEMBL
244527,C[NH2+]C(C)c1ccc2c(c1)C(C)C(C)(C)C2C,0,GDB ChEMBL
222801,CCCNC1=[NH+]CC(C)(C#N)CN1C(C)(C)C,0,GDB ChEMBL
234407,NC(N)=[NH+]C(CNC=O)C(=O)CO,0,GDB ChEMBL
318347,CC#CCCC(=O)C[NH2+]C1CC1,0,GDB ChEMBL
161765,CCCC(C)(C)C(C)C#CCC1C[NH2+]C1,0,GDB ChEMBL
208325,C#CC1=C(CC)C[NH+](C(C)C)CCC1,0,GDB ChEMBL
66183,CCCC1C(C[NH+](C)C)=CCC1O,0,GDB ChEMBL
342635,C[NH2+]CC#Cc1c(C)ccc(C)c1I,0,GDB ChEMBL
159704,C[NH2+]C1C(C(=O)[O-])CC(O)(C#N)C(O)C1N,0,GDB ChEMBL
69565,CCC1Cn2c(=[NH2+])[nH]c3c(Cl)ccc(c32)O1,0,GDB ChEMBL
4851,CC12OC(CC[NH3+])C1CC1CC(=O)NC12,0,GDB ChEMBL
103486,CC1([NH3+])C(O)CNC1(C(N)=O)C(=O)[O-],0,GDB ChEMBL
333091,CCCCOC1C(C)CC2OC21,1,GDB ChEMBL
39999,CC1CC(C(O)CO)[NH2+]c2ccc([O-])c(=O)n21,0,GDB ChEMBL
260565,CCCCC(CC(C)(C)C(C)C)C1(C)CC1,1,GDB ChEMBL
41060,CC1=CC(CC(C)(C)C)OCCC=CC1,1,GDB ChEMBL
134453,CC(O)C(C)(O)C(O)C(O)CC(=O)[O-],1,GDB ChEMBL
300423,CC1CC2C3CCCCC3CC2(C)[NH2+]1,0,GDB ChEMBL
238200,COC1C(CS(N)(=O)=O)OCC(O)C1[NH3+],0,GDB ChEMBL
259680,CC1CC2(C)C(C)CCCC1C2(C)C,0,GDB ChEMBL
367826,CCC(CC#N)C[NH+]=CNC,0,GDB ChEMBL
286167,CNC(C[NH3+])C(OC(N)=O)C(O)C(N)=[NH2+],0,GDB ChEMBL
10617,COC1(C)Cc2c(O)ccc(Br)c2C1,1,GDB ChEMBL
79551,COC(C[NH3+])=NCCCOCCO,0,GDB ChEMBL
394358,CC(O)C1CC2CC(CO)[NH2+]CC2(C)O1,0,GDB ChEMBL
361667,CCC1=CC2Cc3ccc(Cl)cc3C3C1C23,0,GDB ChEMBL
290178,C#CCC(CC#C)COC1CCC(C)C1C,1,GDB ChEMBL
155064,NC1=[NH+]CCC(O)CCC(=[NH2+])N1,0,GDB ChEMBL
47751,CC(O)C([NH3+])C(O)COC(C)C([NH3+])CO,0,GDB ChEMBL
75002,CC(C#N)C([NH3+])CC(=O)[O-],1,GDB ChEMBL
214733,CNC1C[NH2+]C(C2CC2C)C1O,0,GDB ChEMBL
133996,CNC(=O)C1NC2C(=O)C1C2O,0,GDB ChEMBL
337081,COC1C([NH3+])CC(CO)C1C,0,GDB ChEMBL
170263,C=CCC1CC1(C(C)C)C(F)(F)F,1,GDB ChEMBL
165617,NC(C(=O)n1cnnn1)C(O)CCO,1,GDB ChEMBL
240396,C#CC1CC12CCC(O)CC2C,0,GDB ChEMBL
92289,CC(C)Cc1cc(O)nc2[nH]cc(N)c12,1,GDB ChEMBL
293831,C#CC1[NH2+]CC(CC)CC1O,0,GDB ChEMBL
258718,CC1(CC2C=CC=CC=C2)CCC(O)C1,1,GDB ChEMBL
280652,NC(=O)N1CC2CC(O2)C1=O,1,GDB ChEMBL
162947,[NH3+]CC12NC1C(=O)NC(=O)OC2C(=O)[O-],0,GDB ChEMBL
104957,CC(CC(O)CC=O)NC=O,1,GDB ChEMBL
21557,[NH3+]CC1NC(=O)C2CS(=O)(=O)N3C2C13CO,0,GDB ChEMBL
386620,CC(C)c1c(F)nc(NC(=O)CC[NH3+])nc1F,0,GDB ChEMBL
289941,COCc1cc(C(C)(C)C#N)noc1=O,0,GDB ChEMBL
2361,CC1=CCc2sccc2CCC1(C)O,1,GDB ChEMBL
11205,CCN1CC([NH2+]C)C12CC2,0,GDB ChEMBL
46933,C[NH2+]C(C(N)=O)C1C(N)C1(C)[NH3+],0,GDB ChEMBL
271383,CCC1[NH2+]C(C)CC(C)C1=O,0,GDB ChEMBL
103525,Cn1c(N)[nH+]c(N)c1NC(N)=O,0,GDB ChEMBL
275670,C[NH2+]C(CO)CC[NH+]=C(N)C(C)(C)C,0,GDB ChEMBL
256171,[NH3+]C1CC2OC(=O)C3CNS(=O)(=O)C1C23O,0,GDB ChEMBL
116348,CC12C3CCC[NH+](C3)C1C2CO,0,GDB ChEMBL
34158,CC1COC2(C)CC(CO)CC12,0,GDB ChEMBL
173837,C#CCCNc1ccc(CCC)c(Br)c1,1,GDB ChEMBL
371698,CC1(O)C2CC(=O)NC(=O)N(CC#N)C21C,0,GDB ChEMBL
65899,CCCC1(C[NH3+])CC[NH+]2CC(C#N)C(C1)C2C,0,GDB ChEMBL
386440,CC(C)C1CC(c2ccc(I)cc2)C1,1,GDB ChEMBL
96414,CCC1CC=C(C[NH3+])CO1,0,GDB ChEMBL
121762,CC12C[NH2+]C3CCC1COCC2C3,0,GDB ChEMBL
307574,CCCCC1(CC(CO)CCC)CCC1,1,GDB ChEMBL
177893,C#CC1CC(CCOC)C2CC2C1C,0,GDB ChEMBL
122688,CCCC(C)CC(O)c1cc(COCC)c[nH]1,1,GDB ChEMBL
103941,C[NH2+]C1CCc2c1cnc(C#CC[NH3+])c2F,0,GDB ChEMBL
314156,Cc1cc2c(c(CO)c1CC(F)(F)F)CCO2,1,GDB ChEMBL
296044,C[NH+]1CCCC1C1CC12COC(=O)C2,0,GDB ChEMBL
124773,CC1=CCC[NH+](C)C1(C)C(C)C,0,GDB ChEMBL
172342,O=C1[N-]S(=O)(=O)CC2CC3OC3C1N2,0,GDB ChEMBL
338339,CC(Cc1nc(=O)c([O-])n[n-]1)C(N)=O,0,GDB ChEMBL
38598,COC1CC=CC2=CC(C)CC([NH3+])C21,0,GDB ChEMBL
152627,Cc1c(N2CCC2)sc2c(F)cccc12,1,GDB ChEMBL
326414,CCC1CC(C(C[NH3+])C(C)C)C2CC12,0,GDB ChEMBL
351288,NC(=O)N1CC(O)C2(CCO2)C1,0,GDB ChEMBL
107634,CCC1C2CC3CCC[NH2+]C3C2[NH2+]CC1(C)C,0,GDB ChEMBL
123046,CCC1=CC(C)(C)C(O)C1,1,GDB ChEMBL
249414,CCCCc1ncoc1C(=O)C(=O)[O-],0,GDB ChEMBL
315229,NC(=O)NCCCC[NH2+]CC1C[NH2+]C1,0,GDB ChEMBL
260548,O=C([O-])C12OC1CC(=NO)C2CO,0,GDB ChEMBL
243327,C[NH+]1CCC2(CC1)OCC2=NO,0,GDB ChEMBL
122851,CC(C1CC1)C(O)c1c(F)cncc1C=O,1,GDB ChEMBL
65944,CCC1(S(=O)(=O)[O-])C(=N)NC(=O)C1[NH3+],0,GDB ChEMBL
259445,COC(=O)[N-]C(=O)OCCOC(N)=[NH2+],0,GDB ChEMBL
108170,N#CC(N)(C(=O)[O-])C(NC=O)C(=O)[O-],0,GDB ChEMBL
18680,Cc1cc([O-])nc(=O)cn1,0,GDB ChEMBL
300226,C[NH2+]CCC(=CC[NH3+])C1(C)C[NH2+]C1,0,GDB ChEMBL
348721,O=Cn1nc(C(=O)[O-])c2c(Br)cccc21,0,GDB ChEMBL
137076,Cc1cc(Br)c([O-])c2[nH+]c(CCO)[nH]c12,1,GDB ChEMBL
77744,CCC1CC=C(C)C1OC(=O)C1CC1,1,GDB ChEMBL
378275,CCCCC(C)(O)C(N)=[NH2+],0,GDB ChEMBL
165267,COC1C(C[NH3+])OC(=O)C1(N)C(N)C(N)=O,0,GDB ChEMBL
79283,CC1C2C(=O)OC(CCS1(=O)=O)C(=O)N2C,0,GDB ChEMBL
235893,[NH2+]=C1NCC(O)c2c1cc1c(c2Br)CCO1,0,GDB ChEMBL
274060,O=C1NCCCC2=CC1C1C3C2C(O)CN13,0,GDB ChEMBL
34833,CC1C(CC(N)(C#N)C(C)N)C1C(=O)[O-],0,GDB ChEMBL
103922,CC#CC1CC(O)C[NH+]=C(CC)N(C)C1,0,GDB ChEMBL
80324,CC([NH3+])CC1(C)C=CCCC1,0,GDB ChEMBL
183448,C#CC12COC(CN1Cc1ccsc1)C2CO,0,GDB ChEMBL
274065,CCN(C)CC(=O)NC(=N)OCCCC[NH3+],0,GDB ChEMBL
355400,CCn1cc2ncnc-2c([O-])c1C(=O)NC,0,GDB ChEMBL
273809,CC(CCO)C1CC(=O)C2(C)COC(C#N)C12,0,GDB ChEMBL
195421,CC1CCCC2[NH2+]C1C(C)(N)C=C2C(=O)[O-],0,GDB ChEMBL
375683,CC1[NH2+]C(C2CCCOC2=O)CCC([NH3+])C1N,0,GDB ChEMBL
193305,N#CC1OC(C[NH3+])C(C(=O)[O-])NC1=N,0,GDB ChEMBL
66758,CCN1C(=O)C(C)C2OCC3C2C31,0,GDB ChEMBL
147237,CC1C(=O)NCC(O)C2C(C=O)N12,0,GDB ChEMBL
184900,CC(C)CC1COC(C)CC(C)CC1=O,0,GDB ChEMBL
318566,CS(=O)(=O)NC1C(=O)C2OCCC2C1C#N,0,GDB ChEMBL
281638,[NH3+]C1CN2C(=O)C(O)C(O)C(O)CC12,0,GDB ChEMBL
48193,CCC1[NH2+]CC(CO)OC2C([NH3+])C12,0,GDB ChEMBL
136484,C#CC1([NH3+])C=CCC([NH+](C)C)C(C)C(O)C1,0,GDB ChEMBL
4971,CC1NCC2C(CO)N2C1=O,0,GDB ChEMBL
321444,COC(=O)NC1=CS(=O)(=O)NCC(O)C1,0,GDB ChEMBL
354570,O=C([O-])CCC1CC[NH+]1CCO,1,GDB ChEMBL
185965,CC1(C)CC2CC[NH+]1CC1CCCC2CCC1,0,GDB ChEMBL
17630,CC#CC1C2[NH2+]CCC([NH2+]C)C(O)C12,0,GDB ChEMBL
76465,CC1(C(=O)[O-])[NH2+]CC2CC1C=C2CO,0,GDB ChEMBL
392521,CCC1(O)CC2CC(C)C1CC2C(C)OC,0,GDB ChEMBL
372634,NC(=O)C([NH3+])C1NC1C(=O)OCCO,0,GDB ChEMBL
270064,N#CC(N)COC1CC2C=CC(C2)C1,1,GDB ChEMBL
51343,CC1C=CCC(=[NH+]CCC#N)N(C)CCC1,0,GDB ChEMBL
21571,C#CC(=O)NC(=O)Nc1c(N)[nH+]cc(N)c1C,0,GDB ChEMBL
111608,O=C([O-])C1C[NH2+]C(CO)C1,1,GDB ChEMBL
173938,CCC1C(C)CCC2(C(C)C)CC(C)(C)CC12,0,GDB ChEMBL
9879,COCC([NH3+])C1(C(C)O)NS(=O)(=O)CC1C,0,GDB ChEMBL
276100,CC1(CCC[NH3+])CNS(=O)(=O)C1C(O)CO,0,GDB ChEMBL
21447,N=c1cc(C(=O)Nc2cc[nH]n2)cn[nH]1,1,GDB ChEMBL
255983,CC1C2NS(=O)(=O)C1C21CNC(=O)O1,0,GDB ChEMBL
82142,CCC(C)C1CC2CC(C)(C[NH3+])CC1O2,0,GDB ChEMBL
105951,NC1=NC2(C(=O)N1)C1CC(C(=O)[O-])OC2C[NH2+]1,0,GDB ChEMBL
59701,CC1CC[NH2+]C(C)C(N)C1O,0,GDB ChEMBL
321797,CCOC1CC2C(C1CO)N2C,0,GDB ChEMBL
267358,CC1CC2C3CCC(O)C[NH+]1C32C,0,GDB ChEMBL
268135,C#Cc1ccc(CCCC)c(CC)c1,1,GDB ChEMBL
15996,CC1CCOC(C[NH3+])CC2C1[NH+]2C,0,GDB ChEMBL
280801,CC12CC3C(C[NH2+]CC1O)C3C2,0,GDB ChEMBL
334115,CC1[NH+](C)C2CCC(O)C1(C)NC2,0,GDB ChEMBL
366511,CNc1cnc(O)cc1C(C)OCCC[NH3+],0,GDB ChEMBL
217035,COCC(C)C([NH3+])C(C)C(C)CC1CC1,0,GDB ChEMBL
334330,CC1NC1(C#N)CN(C)C,0,GDB ChEMBL
178015,CCCC1(C(C)C)CC(C)(NC(C)=O)C1,0,GDB ChEMBL
124334,CCC1CCC(C)(C)CC(C)(C(F)(F)F)OC1,0,GDB ChEMBL
248240,NC(=[NH2+])c1csc([O-])nc1=O,0,GDB ChEMBL
61949,CN(C(=N)N)C(=O)C1CC(C)(O)C(=N)O1,0,GDB ChEMBL
93407,CC1OCCc2c1ccc(O)c2Br,1,GDB ChEMBL
98631,CNC(=O)c1sc(C2[NH+]=CNCC2O)cc1C,0,GDB ChEMBL
194284,CN=C(N)N(CC(C)([NH3+])C(C)C)S(C)(=O)=O,1,GDB ChEMBL
13148,CC(=O)N1CC(C[NH3+])=CC2CC21,0,GDB ChEMBL
385401,CC1C[NH2+]CCCC2C(C)C2C1,0,GDB ChEMBL
64317,CCCc1ccc(CNC(C)=O)scncn1,0,GDB ChEMBL
397954,CCC1C=CC2C[NH2+]C1CCC2C,0,GDB ChEMBL
61929,COC1C2C(CO)NC(=O)C3CN3C12,0,GDB ChEMBL
196742,COc1cc(C(=O)[O-])c[nH]c1=[NH2+],1,GDB ChEMBL
4920,CC(O)CC(C)C1CC(C)C(C)C(C)[NH2+]1,0,GDB ChEMBL
272514,N=C(NC(N)=O)NC(=O)C(N)C(N)=O,1,GDB ChEMBL
40237,CC(=O)C1=CC2(C)CC(C2)[NH+](C)C1,0,GDB ChEMBL
252042,CCC1CC12CCC([NH3+])C2COC(C)=O,0,GDB ChEMBL
316123,CNC(=O)CS(=O)(=O)NCC(N)C[NH3+],0,GDB ChEMBL
396741,CNC(=O)C1(C)OCCO1,1,GDB ChEMBL
204571,C#CC1C(CC[NH2+]C)=CCOC1CO,0,GDB ChEMBL
339262,NC(=O)OCCC1=NCC(=O)N1C=O,1,GDB ChEMBL
180043,COC(=O)c1c(C)cscc(C)c(N)nc1C,0,GDB ChEMBL
357665,CCCCCC1C2CC1C(C(C)C)CC2C,0,GDB ChEMBL
156038,C#CC1(c2c(F)cc(C)c(OC)c2N)CC1,1,GDB ChEMBL
193227,COCC(O)C1(C[NH+](C)C)CC(OC)C1C,0,GDB ChEMBL
130350,CCCC1CC2(C)CCC=CC=C1C2,0,GDB ChEMBL
207401,[NH3+]CC(COCC(=O)[O-])S(=O)(=O)[O-],0,GDB ChEMBL
50297,C=C(COC=O)N(CCC)C(C)=O,1,GDB ChEMBL
107060,[NH3+]CCC([NH3+])C1OC(CS(=O)(=O)[O-])C([NH3+])C1O,0,GDB ChEMBL
182285,C=CCN=C(OCC[NH3+])N(C)C=O,0,GDB ChEMBL
24521,Clc1cc(Cl)c2ccc(Cl)c(Cl)c2c1,1,GDB ChEMBL
215851,CCC(C(C)(C)C[NH3+])C1(C[NH+](C)C)CC1,0,GDB ChEMBL
29980,CC1CCC2C(C(C)C)CCCC2(C)C1,0,GDB ChEMBL
16054,Cc1ccc(N2CC[NH+]=C(N)C[NH+]=C2N)cn1,0,GDB ChEMBL
159887,CCC(O)c1cc(N(C=O)CC)cc(Br)c1C,1,GDB ChEMBL
330147,CC(C)c1ncc2c(c1Cl)COC1CC1C2,0,GDB ChEMBL
161086,C#CC1CC2C[NH2+]C(C2)C1O,0,GDB ChEMBL
42611,C#CC12CC(c3ccc(Cl)cc31)C(C)C2CC,0,GDB ChEMBL
200597,CC1C(NC(N)=O)C(O)C(C[NH3+])C1([NH3+])CO,0,GDB ChEMBL
130372,N#CC1(N)C2CC(C[NH3+])C1(O)C(=O)[N-]2,0,GDB ChEMBL
60676,NC(=O)CC1(C=O)C=CC[NH2+]C1,0,GDB ChEMBL
258201,CCC1[NH2+]C2CCC([NH3+])C(C)OC1C2,0,GDB ChEMBL
18853,CCCCCCC(=[NH2+])NC1=NCC(=O)C1,0,GDB ChEMBL
300505,CC12CN(C(=O)CO)CC=CC1([NH3+])C2,0,GDB ChEMBL
251023,CC1(C)CCC(=O)N(CCO)C=[NH+]C1,0,GDB ChEMBL
152481,CCN=COC(=O)c1nc(OC)cc(C)c1Br,1,GDB ChEMBL
113620,Cc1ccsc1C1C2CCC(=NCC#N)N21,0,GDB ChEMBL
283960,CCCCC(C1C=CCC1C#N)C1CC1C,0,GDB ChEMBL
184077,COC(=[NH2+])NCC(C)N1C(C)C1(C)C(=O)[O-],0,GDB ChEMBL
372726,NC(=[NH2+])C1C(N)CCN1C(N)=[NH2+],0,GDB ChEMBL
292221,C#CCc1c(C([NH2+]CC)C(C)(C)O)csc1C,0,GDB ChEMBL
58970,CCCC[NH+]1CC2C3CCCCC3C=CC21,0,GDB ChEMBL
274014,CC(C)C1C(N)CNC(=[NH2+])C1CO,0,GDB ChEMBL
171848,COC1C(C(N)=O)CC(=O)N(C)C1C[NH3+],0,GDB ChEMBL
255552,CCc1onc(CC[NH3+])c1C(=O)[O-],0,GDB ChEMBL
190233,CC1=CC(O)CC(O)C1C=O,1,GDB ChEMBL
210155,NC1=[NH+]CC(CC2[N-]C(=O)NC2=O)O1,0,GDB ChEMBL
173727,CCCCCc1cc(Cl)cc(C)c1C,1,GDB ChEMBL
190046,CC(CC#N)C[NH2+]Cc1cc(O)cc(Cl)c1[O-],1,GDB ChEMBL
345520,COC1CC([NH3+])C(O)C12CC2(O)C(N)=O,0,GDB ChEMBL
174223,COC(=O)C(=O)OC1CC1,1,GDB ChEMBL
174916,CCC1(C)[NH2+]C2CCC(C2)CC1C,0,GDB ChEMBL
71706,C[NH2+]C1(C)CC2OC(C)C(C2C)N(C)C1=O,0,GDB ChEMBL
332486,C#CC1CC(O)C(O)(C[NH3+])CC(C)(O)C(=O)N1,0,GDB ChEMBL
47748,Cc1c2ccc(O)c1CC=CCC1CN2C1,1,GDB ChEMBL
67853,Nc1ncc(O)c(CC2COC2)c1F,1,GDB ChEMBL
7810,CC(O)C(OCC(=O)[O-])C(=O)NC=N,1,GDB ChEMBL
132701,CC(CC(O)C1[N-]C(=O)NC1=O)C(C)C(=O)[O-],0,GDB ChEMBL
39809,C#CC1C2c3ccc(F)cc3C(C)C12,0,GDB ChEMBL
278226,C[NH2+]C(CCO)CCC(O)(C#N)CO,0,GDB ChEMBL
374219,CCOc1coc(C(=O)CC)ncncc1C,0,GDB ChEMBL
26953,NC(=O)C1COC(C(O)CC(O)C[NH3+])=N1,1,GDB ChEMBL
351404,CC12C([NH3+])C(S(N)(=O)=O)OC1C2CC(=O)[O-],0,GDB ChEMBL
193244,CC(C)[NH2+]CC(C)(C(O)C[NH3+])C1COC1,0,GDB ChEMBL
251911,O=CCC1CCC(CO)C(CO)[NH2+]1,0,GDB ChEMBL
92845,CC1CN=C2OC3C4C(CO)NC(=O)C34N21,0,GDB ChEMBL
362679,CC1=CCCC[NH+](CC=O)C1,0,GDB ChEMBL
289841,CCC1OC2(C=O)C[NH2+]C(C2)C1O,0,GDB ChEMBL
261200,CCCC(=[NH2+])OCCC(C)C,0,GDB ChEMBL
25195,CCC#CC#CCc1ccn(C)c1C,1,GDB ChEMBL
285544,CC1(O)CC(C(O)C([NH3+])C(=O)[O-])C1[NH3+],0,GDB ChEMBL
291489,CC1C2C3OC3C(CC(=O)[O-])N12,0,GDB ChEMBL
13758,CCC1CC(C)C(OC)C(O)C1O,1,GDB ChEMBL
164691,C[NH+]1CC2NC(C(N)=O)C2(O)C1,0,GDB ChEMBL
334055,CNC(=O)CCCC(O)(C(N)=[NH2+])c1cnc[nH]1,0,GDB ChEMBL
118341,CCC1(C2=CC3[NH2+]CC=CC2C3OC)CC1,0,GDB ChEMBL
127661,CC1C([NH3+])C2OC(S(N)(=O)=O)C1CNC2=O,0,GDB ChEMBL
234905,CCCC1(C)CC(C)C1c1ccc(Br)cc1,1,GDB ChEMBL
266217,CN1C(CO)C1C(C[NH3+])NS(C)(=O)=O,0,GDB ChEMBL
167325,CC1CC2C3CC(CC3C)[NH+]2C1,0,GDB ChEMBL
368408,C1=CCC=CCN2CCOCC2C=C1,0,GDB ChEMBL
290332,C[NH+]1CCCC=CC(=CCC=O)C1,0,GDB ChEMBL
152585,CCC(C)C1(c2cc(C)on2)CCC1,1,GDB ChEMBL
267911,CC(=O)C1=C(C(C)C)NCC1,0,GDB ChEMBL
199067,C[NH2+]CC(OC(N)=[NH2+])c1c(O)cccc1I,0,GDB ChEMBL
188494,CC(C#N)(N=C(N)N)C(=O)C(N)=O,0,GDB ChEMBL
239116,CC(=O)CC1CN(C)C=[NH+]C(C)C(=O)O1,1,GDB ChEMBL
210188,C#CC1(CO)OC2CC([NH+](C)CCO)CC2O1,0,GDB ChEMBL
20729,CC1=CCCC=CCCCC(C)(C)C1C,0,GDB ChEMBL
349488,CC(=O)C(=O)NC1(CO)COC1,1,GDB ChEMBL
208261,CC1=CC2OC(CNC2=O)C1O,0,GDB ChEMBL
43575,CC(C)C1(C)CCC2([NH3+])CN(C)C21,0,GDB ChEMBL
194460,COC(=O)C1(C)NCC([NH3+])C(O)C1C[NH3+],0,GDB ChEMBL
77036,CC(O)C1[NH2+]CCC12C(C(=O)CO)N2C,0,GDB ChEMBL
26860,NC(C[NH3+])C(O)C[NH2+]CC(O)CO,0,GDB ChEMBL
119434,CCOCC(=N)NC=O,1,GDB ChEMBL
83521,CCc1c(C)cc2n[n-]c(=O)c(F)c2c1N,0,GDB ChEMBL
157397,C[NH+]1CCCC1C1=C(N)CC(C)(C)C1=O,0,GDB ChEMBL
153245,CCCC12CC(C)C(CC=C1CC)C2CC,0,GDB ChEMBL
361830,CCc1cc2n(c1C)C1CC(=O)CN(C)C21,0,GDB ChEMBL
149980,CC1CC23NC(=O)C(N)C(C[NH3+])C2C3O1,0,GDB ChEMBL
99687,CCC(C)C([NH3+])C1COCC(C)C1C,0,GDB ChEMBL
198801,CCC12CCC=CCC1C(C)C(C)C2,0,GDB ChEMBL
117355,C=CC1C[NH2+]C(CC)CC1C1CO1,0,GDB ChEMBL
387078,CC1CCC2(CC1)C1C=CC2C=C1,0,GDB ChEMBL
276320,CC(=O)NC(C)C1(C[NH3+])CC=C(C(=O)[O-])C1,0,GDB ChEMBL
323150,CC(C)CC1CC(N)=CC1=O,1,GDB ChEMBL
99706,Cc1cc(C)ncnc2cc(c(=O)c1)N(C)C2,0,GDB ChEMBL
300489,CCC1(C)CC=CCC(C)CC(C)(C)C1,0,GDB ChEMBL
41662,CC(CC(O)CC1(C=O)C[NH2+]CC1O)C(=O)[O-],0,GDB ChEMBL
325861,C#CC(C=CC)=CCCC[NH2+]CC,0,GDB ChEMBL
157430,COCC1(NC(N)=[NH2+])C(=O)CC1O,0,GDB ChEMBL
362560,Cc1c(Cl)ccc2c1CC(C)([NH3+])C2CC(C)C,0,GDB ChEMBL
389424,O=C1NC=CCC2CC[NH2+]CC2O1,0,GDB ChEMBL
162881,CC(C)(CCO)C(C#N)CC[NH+]=C(N)N,0,GDB ChEMBL
151173,CC1CC(C)(C(C)C)C(O)CC2(C)CN12,0,GDB ChEMBL
391677,CC12CNC(=O)NC1=CCCCCO2,0,GDB ChEMBL
130893,CC[NH2+]CC1[NH2+]C(C)(C)C(C)C1CC,0,GDB ChEMBL
61969,CCC([NH2+]C)C(O)CN(C(N)=O)S(C)(=O)=O,0,GDB ChEMBL
238124,CC12C=C(c3ccccn3)CC(C1)C2,1,GDB ChEMBL
352809,CC1(O)CC(C#N)OC(=O)C([NH+]=C(N)N)C1O,0,GDB ChEMBL
234925,N#CC(N)C1OCC(O)(CC(O)C(=O)[O-])C1O,0,GDB ChEMBL
1044,CCC1C2C[NH2+]CC(C(C)C2)C1(C)CC,0,GDB ChEMBL
179307,CC1(C(=O)[O-])CN1C(=O)NC1CCOC1,0,GDB ChEMBL
300978,C=C1CC(CCCC)C(C2CC2)C1,1,GDB ChEMBL
362221,CCCC1(C)CCCC(CC)C(CC)CCC1,0,GDB ChEMBL
346984,CNS(=O)(=O)C1OC12COC(C)C2CC[NH3+],0,GDB ChEMBL
318500,COC(CO)C(C#N)CC#N,1,GDB ChEMBL
334340,CC1OC2OC1C(O)C2N(C)C,1,GDB ChEMBL
284366,N=C1CC2=CCC(OC(=O)N1)C2CO,0,GDB ChEMBL
163362,COCC(c1cc(F)cc(F)c1)C1(C)CC1,1,GDB ChEMBL
299595,CNC(=O)C(C=O)(CO)C1(NC=O)CCOC1,0,GDB ChEMBL
265490,NC(=O)C(N)(CC[NH3+])CNC(=O)C(N)C[NH3+],0,GDB ChEMBL
23505,CCC1CC(C)C(C)(O)CC(C(C)C)C1CC,0,GDB ChEMBL
35742,C#Cc1ccc2ncc3[nH]cc(C[NH3+])cc3c12,0,GDB ChEMBL
204388,O=CNCC1C(O)C1OCC(=O)[O-],0,GDB ChEMBL
10984,CCCCC(C)[NH2+]CC(C)(CC)OC(C)C,0,GDB ChEMBL
68634,CCN=C(N)C(=O)N(C)C(C)=O,1,GDB ChEMBL
132665,COc1cc2n(c1)C(C)C(O)C2,1,GDB ChEMBL
29823,CC1(C)COCCNC(=O)CN1CCCC#N,1,GDB ChEMBL
397101,COC(C)(CC(C)C1CCC1)C(F)(F)F,1,GDB ChEMBL
227282,CCC1=[NH+]CC(C)C(C2CC2)N1C,0,GDB ChEMBL
251046,CCC([NH+]=C(N)C(C)CO)C1CCC(O)CC1,0,GDB ChEMBL
216477,CC1[NH2+]CC2C(C)C(=O)NCCC1C2(C)C=O,0,GDB ChEMBL
156045,CC[NH2+]CC1CCNc2c(C)noc21,0,GDB ChEMBL
259379,CN(C)c1[nH+]ccc2[nH]nc(CO)c12,0,GDB ChEMBL
148192,CC1CCc2occc2C1C,1,GDB ChEMBL
195313,CC([NH3+])C1C=CCCCC(C)C1C,0,GDB ChEMBL
186641,CC1CCCCc2cc(C#N)c(Cl)c(Cl)c21,1,GDB ChEMBL
32013,CS(=O)(=O)Nc1cnc2sccn12,1,GDB ChEMBL
84591,C#CC1=CC2C(CN(C)C(C)C2C#N)OC1,0,GDB ChEMBL
280679,CCC1=CCOC(C)C(C)C=C1,0,GDB ChEMBL
124803,C[NH2+]CC1CC2([NH3+])CCOCC(O1)C2O,0,GDB ChEMBL
4739,O=C(Cn1cc(CO)nn1)C1CN1,0,GDB ChEMBL
33220,CCNC(=O)c1nc(N)ccc(=N)n1,0,GDB ChEMBL
31420,CCCc1nsc2c(C)c(N)c(F)cc12,1,GDB ChEMBL
40901,CCCC(C)(C1=CC=CCCCC1)C(C)C,1,GDB ChEMBL
27956,CNC(=O)C1COC(=O)C(O)C2=NCC1N2,0,GDB ChEMBL
189759,C#CC(CC)C1=CCCCC1,1,GDB ChEMBL
374003,COCC1=CC(C[NH3+])C(C)=CCC1,0,GDB ChEMBL
1483,CCc1cnn2cccc2n1,0,GDB ChEMBL
81590,c1ccc(C23CC(C2)C3)nc1,0,GDB ChEMBL
115397,C[NH+]1C(C(=O)[O-])CCCOC2CC21,0,GDB ChEMBL
330150,CC1=C(COC2CCCC2)CC(C)(C)C1,1,GDB ChEMBL
296360,CC(C)N1CCOCC1=O,1,GDB ChEMBL
208611,C=CC1C[NH+]2CCC1C=CC2(C)C,0,GDB ChEMBL
120363,CC(CC(C[NH3+])C(C)O)OS(N)(=O)=O,0,GDB ChEMBL
82151,CC[NH2+]C1(CC)CC2OC2(CO)C1,0,GDB ChEMBL
214927,CC(=[NH2+])NCCCCC(=O)S(N)(=O)=O,0,GDB ChEMBL
231126,CNS(=O)(=O)C(C[NH3+])OCC(=O)[O-],0,GDB ChEMBL
132200,CCC(C)(CC)C(C)C(C)CO,0,GDB ChEMBL
375749,C[NH2+]CCN(C)C(CO)C(C)S(N)(=O)=O,0,GDB ChEMBL
45909,C#CCC1C2C=CC(C2)C(CCC)C1CC,0,GDB ChEMBL
44580,CC1CC2CC[NH2+]C3CC(O)C12C3,0,GDB ChEMBL
159731,CCN1C(=[NH2+])NC2(CC(=O)[O-])C(NC)C12,0,GDB ChEMBL
318069,CC([NH3+])C1(CC#N)Oc2ccc(Cl)c(Cl)c2O1,0,GDB ChEMBL
269377,CCCCN(C)C(=[NH2+])C(C)(C)C1(C)CCC1,0,GDB ChEMBL
372731,CCCCC(CC)CC(O)CCc1ncon1,1,GDB ChEMBL
174706,CCc1nc([N+](=O)[O-])c(NC(=O)CO)o1,0,GDB ChEMBL
147572,CN(C)C1(CO)CNC1C=O,0,GDB ChEMBL
228834,CCCCC1CC(C)C(C)C1C(F)(F)F,0,GDB ChEMBL
26960,CC(=O)N1C(=N)C(N)C1C(C)O,0,GDB ChEMBL
355305,CCCCC1C(C)CC(C)C1(CC)C(C)CC,0,GDB ChEMBL
397025,C[NH2+]CCCC12C[NH2+]C(CN(C)CC(O)C1)C2,0,GDB ChEMBL
176477,CCC[NH+]1CCC2CCCC2(OC=O)C1CC,0,GDB ChEMBL
174871,CCc1cccc(CC2CC(C)(C)C2)c1I,1,GDB ChEMBL
288580,NC(=O)CC(C[NH3+])N1CC1C(=O)[O-],0,GDB ChEMBL
235677,C#CC1CC2(O)CC(C)CC([NH2+]C)(C2)C(=O)N1,0,GDB ChEMBL
78321,CC([NH3+])c1cccn1C,0,GDB ChEMBL
74312,Cn1nncc1CC([NH+]=CN)C(N)=O,0,GDB ChEMBL
227913,CC1OCCCCC2=CC=CCC1C2,0,GDB ChEMBL
58937,COCC12CC1C[NH2+]CCC[NH2+]C2C,0,GDB ChEMBL
305081,CCCOC(C)C(O)C([NH3+])C(=O)[O-],1,GDB ChEMBL
147526,CCC1CC(C)C2CCC([NH+](C)C)C3C1C23,0,GDB ChEMBL
112091,Cc1ccsc1C1(O)CC2CC1(N)C[NH2+]C2C,0,GDB ChEMBL
112855,CC[NH+]1CC=C(C(C)C)C1(CC)CC(C)C,0,GDB ChEMBL
113598,O=C1CCCn2c(cnc2O)CN1,1,GDB ChEMBL
313734,CC(C)(COC(N)=O)NC=O,1,GDB ChEMBL
386526,C#CC(C)C1CCCCCC(CC)(CO)CC1,0,GDB ChEMBL
358104,CC1=CC(C)C2C3[NH+](C)CCCC1C23C,0,GDB ChEMBL
87029,C[NH2+]CCN1CC2(C)C3CC(C)=CC32C1,0,GDB ChEMBL
174208,COC1CC=CC(C#N)C2OCCC12,0,GDB ChEMBL
264952,Nc1nc(C(C[NH3+])C(=O)[O-])cs1,1,GDB ChEMBL
290574,C#CC1([NH+](C)CC)CCCC1,0,GDB ChEMBL
167334,COC12C(=O)N(C(C)=O)C1C([NH3+])CC2O,0,GDB ChEMBL
207273,[NH3+]C12C=CCC1c1cc(Cl)c(Cl)cc1C2,0,GDB ChEMBL
98872,CC([NH3+])CC(O)C(C)CNC(=O)n1cnnn1,0,GDB ChEMBL
315168,C[NH2+]C1C(C#N)CC(=O)C1C,0,GDB ChEMBL
367610,O=C1OC2C3N1C(CO)C(O)CC23O,0,GDB ChEMBL
246787,NC(=O)Nc1ncnccc(C=O)cc(=O)o1,0,GDB ChEMBL
290571,CCC12C(C3CCC[NH+]3C)C=C3CCC1C32,0,GDB ChEMBL
46023,CC1[NH2+]C2CC(CC(C)C2(C)C)C[NH+](C)C1C,0,GDB ChEMBL
99811,C[NH+](C)C1COC1CCOC(N)=O,0,GDB ChEMBL
281694,O=C1OCC2(O)CNc3nccc1c32,0,GDB ChEMBL
391429,C#CC(C)[NH2+]CCN1CC=CC1,0,GDB ChEMBL
136562,N#CC1C(C[NH+]2CCC2)=CCC1[NH3+],0,GDB ChEMBL
156756,CC[NH+](C)C1CCCC2CC1C2(C#N)C[NH3+],0,GDB ChEMBL
341909,CCC12CCC(CC3CC4CCC3C4)(CC1)C2,1,GDB ChEMBL
140358,C#CC(CCC)(C(C)C)C(C)[NH+](C)C,0,GDB ChEMBL
348460,CC[NH+]1C2C=CC(C(C)O)C1(C)CCC2,0,GDB ChEMBL
176459,CCC1C([NH2+]C)C2CC(C(O)C2C)C1[NH+](C)C,0,GDB ChEMBL
208394,C#CC1(C=O)COC(=O)N(C(=N)N)C1C(C)O,0,GDB ChEMBL
127496,CC(O)C(=N)N(C)C(C#N)C(=O)[O-],1,GDB ChEMBL
354391,C=CCC1(C)CCC2OC2C(=O)N1,1,GDB ChEMBL
362076,CCC(C)(C)OCc1cc(OC)c(C)o1,1,GDB ChEMBL
170395,CN1C(=O)NC2(CO)C([NH3+])COC(=O)C1C2O,0,GDB ChEMBL
156479,NC(=O)c1nc(N)c(C([NH3+])C2(O)CC2)s1,0,GDB ChEMBL
358846,CCC1C2CCC([NH3+])C2C(C)CC1(C)C,0,GDB ChEMBL
207716,C#CCOC(C#N)CCc1[nH]c(CC)nc1C,1,GDB ChEMBL
222556,C#CCC(C)C1CC(C[NH3+])C(CC)(CCC)C1,0,GDB ChEMBL
275587,CCC(C=C(CO)C(O)C1CC1)=NO,1,GDB ChEMBL
148220,CCOC(=O)C(C=O)=CNCC#N,1,GDB ChEMBL
342637,COCC(O)C1CCC(C)C1,1,GDB ChEMBL
208440,CC(=O)CCc1ccnccocc1,0,GDB ChEMBL
116350,C=CC[NH+](C)CC(=C)CC(C)CO,0,GDB ChEMBL
188471,C#CC1CC(CCC)(CCCC)CC1C,0,GDB ChEMBL
264932,CC1OC(CO)C(O)C1CS(=O)(=O)[O-],0,GDB ChEMBL
81111,C#CCC(N)=[NH+]CC[NH2+]C,0,GDB ChEMBL
374185,C#CCOC(=O)C(C#C)CC,1,GDB ChEMBL
171857,CN1CCOC(=O)C(O)CCCCOC1=[NH2+],0,GDB ChEMBL
281683,C[NH+](C)CC1(CC=O)CO1,0,GDB ChEMBL
334060,COC(=O)NC=NC(C(N)=O)C1CN1,0,GDB ChEMBL
19423,CCC(C)C#Cc1cc(Br)ccc1C,1,GDB ChEMBL
103894,O=C1[N-]C2CC(OC2=O)C(=O)N1,0,GDB ChEMBL
80208,CC(C)CCC1CCC(C)(C)CC=CC1=O,1,GDB ChEMBL
70935,C[NH2+]CCC1(O)C2[N-]S(=O)(=O)C1C2=O,0,GDB ChEMBL
271047,CC12CNC(C(N)=O)CC1(O)C2[NH3+],0,GDB ChEMBL
66138,CCCC(CC(N)=[NH2+])C1[NH2+]CC1CO,0,GDB ChEMBL
165914,CC(C)c1cc(I)ccc1N,1,GDB ChEMBL
26811,CC1CNc2c(cccc(=O)c2O)O1,1,GDB ChEMBL
190362,[NH3+]C(CCO)c1cccscncc1[N+](=O)[O-],0,GDB ChEMBL
289851,CC(=O)N1CC(C)(C)[NH+]=C(N)C=CC1C[NH3+],0,GDB ChEMBL
83522,C#CC1CCC(C)(CC)C(C)[NH2+]1,0,GDB ChEMBL
385378,C[NH2+]CC12CC(=O)OCC1(N)CS(=O)(=O)N2,0,GDB ChEMBL
252617,CCc1cnc(N2CC(OC)C2)c(I)c1,1,GDB ChEMBL
390480,CC12CC(CC1O)C1CCC2[NH2+]1,0,GDB ChEMBL
204588,CC(C#N)N1CC[NH+](C)CC1,0,GDB ChEMBL
198679,CC[NH+](C)C1CC(C)([NH3+])C(C(C)C)CC1OC,0,GDB ChEMBL
333656,O=C1CC2NS(=O)(=O)C=C1CCCNC2=O,0,GDB ChEMBL
288695,OCCCCCCC#CCCC(F)(F)F,1,GDB ChEMBL
59654,CCNC(=[NH+]C)C1(C(=O)[O-])C(O)CC(=O)C1C,0,GDB ChEMBL
274000,CCC(C)C1Cc2cc(C)cc(I)c2CC1C,0,GDB ChEMBL
177250,C#CC(C)(c1cccc(NC)c1C)C(C)CC,0,GDB ChEMBL
290325,C[NH2+]CCN(C)c1nnn(C)n1,0,GDB ChEMBL
315149,CC1CC(C)(O)CNC(=O)C2C(O)C12,0,GDB ChEMBL
17608,Cc1cc([O-])c(F)c(=NCCCCC(=O)[O-])o1,0,GDB ChEMBL
127890,CCC1CCC2CCC(O)(C1)C2,1,GDB ChEMBL
328941,CC=CCC(=O)NCC1C=CCC1,1,GDB ChEMBL
53704,CCC(C)C1C=CC2=CCCCC2C1,1,GDB ChEMBL
208349,COC1(C)CC([NH3+])CC(C(=O)[O-])CC2CC21,0,GDB ChEMBL
262279,O=C1NC2CCOC3C2C13O,0,GDB ChEMBL
369336,C#CCC[NH+]1CC(OC)C2CC(=O)C(C)CC21,0,GDB ChEMBL
185960,CN=CN(C)C(=O)OCC(C)[NH3+],1,GDB ChEMBL
108137,CC(C)C1CCC2(CC2[NH3+])C(C)NC1=O,0,GDB ChEMBL
65895,CC(CO)C1C(C)COC(C[NH3+])C1[NH3+],0,GDB ChEMBL
127276,CCC1CCCC(C)C2CC2C12CC2,1,GDB ChEMBL
318803,CCc1nc(N)n(CC(C)[NH3+])n1,0,GDB ChEMBL
299573,C#Cc1cc(Br)c(=O)n(C)c1,1,GDB ChEMBL
21568,CC1=CC2CCCCCC=C(C1)C2,1,GDB ChEMBL
105086,[NH3+]C12C(CO)NS(=O)(=O)C1C2CC(=O)[O-],0,GDB ChEMBL
133340,C#CC1C=Cc2c[nH+]c(NC)cc2N1,0,GDB ChEMBL
338132,CC1C2C[NH+](C)C1(C)CCC[NH2+]2,0,GDB ChEMBL
55563,COC(C[NH3+])C[NH2+]C1(C)CC1,0,GDB ChEMBL
127769,CCC(C)C1C=CC(O)CC(C)C(C)C1,0,GDB ChEMBL
195304,CC(=O)NC1CNC2(C#N)C(O)C12,0,GDB ChEMBL
37640,CC1C[NH2+]C23CNC(=O)C(C)(C)CC2COC13,0,GDB ChEMBL
38899,CNc1cc[nH]c(=[NH2+])c1C,0,GDB ChEMBL
286152,CC(=N)Oc1cc(OC(C)=O)nc(N)n1,1,GDB ChEMBL
397951,NC(=[NH2+])C1(O)CNC(=O)CCCNC1=O,0,GDB ChEMBL
274028,C#CC1=CC(C(CC)C(F)(F)F)C(C)C1,0,GDB ChEMBL
372129,C#Cc1c(Br)cc(CC)cc1C1CCC(C)C1,1,GDB ChEMBL
339253,CCCCN(CC)c1ccsc(=O)n1,1,GDB ChEMBL
61830,Cc1oc(N)nc1C(N)(C[NH3+])CCC(=O)[O-],0,GDB ChEMBL
130603,COC1C2COC3CCC2[NH2+]C31,0,GDB ChEMBL
16513,CCC(C)(C)C1CC([NH3+])C=CCC1C(C)C,0,GDB ChEMBL
104435,CCC(=N[O-])C1(C#N)CN(C(N)=O)C(=N)N1,0,GDB ChEMBL
9755,CC1=CC(C)(C)CC(CCO)CC12CCC2,0,GDB ChEMBL
346836,O=c1oc(C2CCC2)nc2ccc(Cl)cc12,1,GDB ChEMBL
55559,C#CCC1CCCC(C)(C)CO1,1,GDB ChEMBL
64339,[NH3+]C1C(CO)NC2C(O)C(C(=O)[O-])OC1C2O,0,GDB ChEMBL
87536,CCCOCc1nc(CC)c[nH]1,1,GDB ChEMBL
284396,C#CC1(O)CC=C(C(=O)CCC)C1,1,GDB ChEMBL
363233,C[NH2+]CC1NC(=O)C2(C)C([NH3+])C(O)C12,0,GDB ChEMBL
243909,NC(=O)Cc1cc(=O)[nH]cc1F,1,GDB ChEMBL
274836,FC(F)(F)c1cccc(CCc2nccs2)c1,1,GDB ChEMBL
289823,COCC1(CNCC#N)C(C(=O)[O-])N1C,0,GDB ChEMBL
365773,C[NH2+]CCC1CNCCC(=O)CC(N)=[NH+]1,0,GDB ChEMBL
87025,O=C1NCC(O)(c2cncs2)c2[nH]ccc21,0,GDB ChEMBL
81118,OC12CCCCCC[NH+](C1)C2,0,GDB ChEMBL
18322,CCCC1([NH3+])CC(O)CC1C(CC)[NH2+]C,0,GDB ChEMBL
309693,N#CC(N)C(OC1C[NH2+]C1)C(N)=O,0,GDB ChEMBL
188087,C#CCC(C1CCC1)n1cc(C)cc1C,0,GDB ChEMBL
79540,CN1CC[NH2+]C2C=C(CC2)C([NH3+])C1,0,GDB ChEMBL
147443,CCC(CC1CCCC1C(C)(C)O)C(C)OC,1,GDB ChEMBL
97738,CC(O)C([NH3+])C(N)(C(=O)[O-])C1CO1,0,GDB ChEMBL
220197,CCN1C(=N)NC2C(N)C2OC(C#N)C1=O,0,GDB ChEMBL
232079,CCC1CN2CC2C(=O)NC1=O,1,GDB ChEMBL
320806,N#CCCc1nn(C2COC2)cc(O)c1=O,1,GDB ChEMBL
129432,CN1C2C(=O)NC(=NCC(=O)[O-])C21,0,GDB ChEMBL
40393,CC1CCCC#CC2(C)C[NH2+]CCC2C1C,0,GDB ChEMBL
9759,[NH3+]C1CC2(CC([NH3+])C1O)CC2C(O)CCO,0,GDB ChEMBL
246972,CC(O)C1CCC2C(C)(C)CC([NH3+])CC12C,0,GDB ChEMBL
222110,CC([NH3+])CC1C2NC(=O)C(C#N)C(C)(O)C12,0,GDB ChEMBL
375143,CC1=CCc2ccccc2CC=C1,1,GDB ChEMBL
278160,CC([NH3+])CC1(C)C2CC=CC(C2)C1C#N,0,GDB ChEMBL
286303,O=C([O-])C1C(O)C2OC(=O)C1(O)CC2O,0,GDB ChEMBL
148836,CC12CC3CC1C=CC[NH2+]C2C3,0,GDB ChEMBL
347969,C[NH2+]C1C(O)C2C(=O)NC1C2(N)C(=O)[O-],0,GDB ChEMBL
385600,CC#CC1CC([NH3+])CCCC1C[NH+](C)C,0,GDB ChEMBL
255343,NC(=O)C1C2CC(O)C1(N)C[NH2+]2,0,GDB ChEMBL
259429,C[NH2+]CC(=N)OC1CC(C)CC1C(C)[NH3+],0,GDB ChEMBL
31074,CC(C[NH3+])C1NC(=[NH2+])NC2CC2C1O,0,GDB ChEMBL
301485,CCC(C(C)C)C(C)CCc1ccc(F)cc1,1,GDB ChEMBL
161394,C#CC1OC(CC#N)C(CO)C1(C[NH3+])C(N)=O,0,GDB ChEMBL
161082,C#CC(C)(C#C)OC(=O)CC(C)(C)C[NH2+]C,1,GDB ChEMBL
196523,C[NH+]1CC2(CCOC2)C1,0,GDB ChEMBL
82143,CCC(C)CCC1=CCC([NH3+])C(C)C1O,0,GDB ChEMBL
307603,O=C([O-])C1NS(=O)(=O)C2CC(=NO)C12,0,GDB ChEMBL
186739,CNC(=NCCO)N(C)C(=O)C1CC1,1,GDB ChEMBL
230222,CCCC1CCCC(CC)(C(C)C)OC1CC,0,GDB ChEMBL
190312,CCN1CCNS(=O)(=O)C2C3CC([NH3+])C1C32,0,GDB ChEMBL
197097,OCC1NC2C(CO)[NH2+]C1C2O,0,GDB ChEMBL
84516,Clc1ccc2c(c1)C1(CCCC1)C1(CC1)N2,1,GDB ChEMBL
153217,[NH3+]CC1C2CC2[NH2+]C1(CO)C(=O)[O-],0,GDB ChEMBL
41157,Fc1cccc2c1CC=C1CCC=C12,1,GDB ChEMBL
179132,C#CC(O)Cc1cc(Cl)ccc1C(N)=[NH2+],0,GDB ChEMBL
218588,COCC1CC[NH+]1C(C)(C)C,1,GDB ChEMBL
174818,NC(=O)C1C2C=CCC3(CC3O)[NH+]1CCC2,0,GDB ChEMBL
376675,COC(C)C1C(=NO)C(=O)OC1CC(=O)[O-],0,GDB ChEMBL
277586,C#CC([NH2+]C)C(C)NC1CC([NH3+])CC1C,0,GDB ChEMBL
135431,C#CC(CC1CC(C)=CC1(C)C)[NH2+]C1CC1,0,GDB ChEMBL
61289,O=C([O-])C1C[NH2+]C2C(CO)C12,0,GDB ChEMBL
262219,O=S1(=O)CC2[NH2+]CCOC3CC3C(O)C2N1,0,GDB ChEMBL
188490,N=C(N)NC(=O)C(N)C1OC(=N)C1O,0,GDB ChEMBL
328954,CCC1(C[NH3+])COC1C1CC1,0,GDB ChEMBL
33258,CCCCC1CC[NH2+]C(C)C(N)COC=NC1,0,GDB ChEMBL
304869,CCCc1cc(C)c(C)c(CC)c1,1,GDB ChEMBL
238019,C#CCC1(C)NC(=O)N(CCO)C2(C)CC12,0,GDB ChEMBL
339090,CC1CCC2(C)C[NH+](C)C1C2O,0,GDB ChEMBL
277451,CCC1(O)CC2CC(C(C)(C)C2)C(C)(C)C1,0,GDB ChEMBL
173168,CCC1(C)C(C(C)[NH3+])C2CC1(OC)CO2,0,GDB ChEMBL
318784,CC#CC12CC(=O)C(C1)NC2=O,0,GDB ChEMBL
257473,O=C([O-])C(Cn1nccn1)=N[O-],0,GDB ChEMBL
18634,CC=C1CC(C)C2NC(=O)C3CC132,0,GDB ChEMBL
262342,NC1=NC(C(O)C[NH+]=C(N)N)C(=O)N1,0,GDB ChEMBL
330807,C#CC(C)(C[NH3+])C([NH3+])COC,0,GDB ChEMBL
216599,[NH2+]=C1C2CCCC(=O)NC2C(CO)C2CN12,0,GDB ChEMBL
236677,CC(C)C(C)(C)C1OCC1[NH2+]CCC[NH3+],0,GDB ChEMBL
13844,CC1(C)NC(=O)CC([NH3+])C1C1OC1C(N)=O,0,GDB ChEMBL
30332,CCNC(C)=[NH+]CC(O)C(N)=O,0,GDB ChEMBL
295934,CCC1CC2(C)CC(=CCC1C)C(=O)O2,0,GDB ChEMBL
348876,CCC1(C)CCCC([NH+](C)C(C)C)C1COC,0,GDB ChEMBL
13769,CCCC12C(C)CC(CCCC1O)[NH2+]CC2O,0,GDB ChEMBL
85070,Cn1ccc(C([NH3+])C(=O)[O-])nc1=O,0,GDB ChEMBL
328951,C#CC1(O)C[NH+](C2CC2)C(C)C1C,0,GDB ChEMBL
372652,C[NH2+]CC(CC(=O)[O-])S(N)(=O)=O,0,GDB ChEMBL
62567,CC([NH3+])(CN)CC1=CCC[NH+](C2CC2)C1,0,GDB ChEMBL
24024,CC1=CC(C[NH3+])C(C)=CCCC1,0,GDB ChEMBL
147986,CC1=C(c2cccc(I)c2)CCC(C)C1,0,GDB ChEMBL
374209,C#CC1(CC(C)CCCC)CCC(C)O1,0,GDB ChEMBL
109766,CC(=O)N1CC2[NH2+]C3C1C3(O)C2C,0,GDB ChEMBL
190373,C#CCCC(C)(O)C1C2C[NH2+]C1C(C)C2,0,GDB ChEMBL
102183,CCC12CCCC(CC=C1C)C2,1,GDB ChEMBL
95168,C#CCC(CCC)C1(CCC)COCCC1O,0,GDB ChEMBL
190463,CCC(CC)[NH+]=C1CN(C(N)=O)CC(C)(C)N1,0,GDB ChEMBL
371694,C[NH+](C)CC1=CCCOC1C#CCO,0,GDB ChEMBL
76424,CC(C(=O)N(C)C(N)=O)N1C=NCC1=O,1,GDB ChEMBL
383067,CCC1CC2CCOC(C1)C(C[NH3+])(NC=O)C2,0,GDB ChEMBL
94657,CC1NCCC([NH3+])C1C#N,0,GDB ChEMBL
81569,COC(=O)C(C)(CO)Cn1cnnn1,1,GDB ChEMBL
318559,CC(C)(C)C1(C2CCOC2)CO1,1,GDB ChEMBL
238595,CCOc1ncc([O-])c(=O)nc1C,0,GDB ChEMBL
235661,Cc1c(N)cc(F)c2c1OC(=O)CN2C,1,GDB ChEMBL
15538,CCCCc1sc(C)cc1C1CCOC1C[NH3+],0,GDB ChEMBL
203227,CNc1nc2nc(C[NH3+])[nH]c(=O)c2cc1Br,0,GDB ChEMBL
244559,CC(C)CC1CCC=C1CO,1,GDB ChEMBL
280809,CC1CC(C)C23C4CC[NH+](CC4)CC2CCC13,0,GDB ChEMBL
132697,CCCC(C)C12CC1C(O)CC(C)(C)C2,0,GDB ChEMBL
86720,CC1CC2[NH2+]C1(C)CC2C[NH3+],0,GDB ChEMBL
238150,C[NH2+]CC(C)(N)C(=O)NC(C)=O,1,GDB ChEMBL
203884,NS(=O)(=O)CCC1NC2C(=O)NC1C2[NH3+],0,GDB ChEMBL
382610,CCc1ncc2n1C(C)C(=O)NCC2[NH2+]C,0,GDB ChEMBL
305504,C#CCC1CN1C(=O)CC,1,GDB ChEMBL
2375,CS(=O)(=O)Nc1c(N)ccn2ncc([O-])c12,0,GDB ChEMBL
334151,[NH3+]C1CN2CC1C2C(=O)N1CCC1,0,GDB ChEMBL
92277,NC(=O)OC1OCCNC1C(=O)[O-],0,GDB ChEMBL
273844,C[NH+]1CC=C(C[NH3+])CCC1,0,GDB ChEMBL
345705,CC(C)CC([NH3+])C1CC(C(F)(F)F)C(C)C1C,0,GDB ChEMBL
384229,C[NH2+]CC1CC(=O)C2NC1C(C)(O)C2O,0,GDB ChEMBL
207359,CCCC(C)CCC1=CCCC=CC1,1,GDB ChEMBL
324083,CNC(=O)C1C2C(O)C(C)[NH2+]C12C,0,GDB ChEMBL
132205,COCC1C2CCCC(C)C21O,0,GDB ChEMBL
308278,CCC1(CC)C2CC(O)CC21COC,0,GDB ChEMBL
190067,CCCC(C#N)(CO)Cc1cc(Br)cc(O)n1,1,GDB ChEMBL
36043,COCC1(N)C(=O)OC(C)(C)C1(O)C(=O)[O-],0,GDB ChEMBL
94606,Oc1ccc(Br)c2c1CC=C1CCC1CC2,0,GDB ChEMBL
161104,CC1CC(O)C(C)N2C(=O)CC(C)C2(C)C1[NH3+],0,GDB ChEMBL
78625,CC(C(=O)[O-])C([NH3+])CC1CO1,1,GDB ChEMBL
258717,C[NH+](CCC[NH3+])CCC(C)(C)CCNC=O,0,GDB ChEMBL
112652,O=S1(=O)CC[NH+]=CN2CCOCCC2C1,0,GDB ChEMBL
262304,C#Cc1c(C)cc(O)coccc1CC(N)=O,0,GDB ChEMBL
17532,CC1CCC2CCCC(C1)C(C1CCCC1)C2,0,GDB ChEMBL
340450,COCC1=C(C)C(=O)CNC1,0,GDB ChEMBL
151230,C=CCC1CC1C1[NH2+]C2CCC1C2,0,GDB ChEMBL
339080,COC12C(=O)NC(C(=O)[O-])C1([NH3+])C2O,0,GDB ChEMBL
47571,CC(O)(CO)CC([NH+]=C(N)NC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
169076,Cc1ccc(Cl)c(N=C2OC(C)CC2C)c1Cl,0,GDB ChEMBL
308312,OCc1n[nH]cc1CNc1ncns1,1,GDB ChEMBL
186654,CC(=O)NC(=O)C1(C[NH3+])NC1CO,0,GDB ChEMBL
208356,COC1C(=O)C2CC(C#N)C(CC[NH2+]2)CC1C,0,GDB ChEMBL
104658,C[NH2+]C(CC(C#N)S(N)(=O)=O)C(N)=O,0,GDB ChEMBL
170459,CC1CC(=[NH2+])N(C)CC2(CO)NC12,0,GDB ChEMBL
73302,C#Cc1c(Cl)ccc2ccc(=NCC)[nH]c12,1,GDB ChEMBL
285717,C#CC(CCCC)C1CC1CO,0,GDB ChEMBL
334110,C#CCC#CCC(CC(C)C)OCC,1,GDB ChEMBL
31330,CC1CC([NH+]2CCCC2)CC1[NH3+],0,GDB ChEMBL
221912,COC(C)(C#N)C1OCCNC(=[NH2+])CC1O,0,GDB ChEMBL
276140,COC(=O)C(N=C(N)C#N)C1CC(C)C1,0,GDB ChEMBL
156213,CCC1C=CC(=O)CCN(CC)C1=[NH2+],0,GDB ChEMBL
223545,C#CC1=CCC(C)C(CC)CCC(CC)C1,0,GDB ChEMBL
284317,O=CC1C(O)CCN2CCN1CC2,1,GDB ChEMBL
370250,O=C(CO)C(CO)N1C2C[NH2+]CC1C2,0,GDB ChEMBL
370343,CC1CC([NH3+])C(=N)OC2CCC1(C)CC2,0,GDB ChEMBL
41337,CC1CC2CC13CC(CO)C2O3,0,GDB ChEMBL
190023,CCC#CC1CCC[NH+]1CCC,0,GDB ChEMBL
221089,[NH3+]C1CCC=CCCC2CC12,0,GDB ChEMBL
50315,O=CNC1CC2CNC(=O)N2C1,1,GDB ChEMBL
203259,COC1(C[NH3+])C[NH+]=C(N)C1(CCO)NC(C)C,0,GDB ChEMBL
172780,COc1cccc2c1SC(=N)S(=O)(=O)[N-]2,0,GDB ChEMBL
377307,CC1NC(=O)C2(O)C[NH2+]CC3COC(=O)N3C12,0,GDB ChEMBL
259516,CCn1c(N)nc(=O)c(OCC(N)=O)c1NC,1,GDB ChEMBL
182868,CC1=CC2(CC2)CC(C)CCCCC(C)=C1,0,GDB ChEMBL
99575,CCC(CCC(C)=O)C1C(C)=CCOC1C,0,GDB ChEMBL
59653,CC(=N)Nc1noc(C)c1CC(N)C#N,1,GDB ChEMBL
59180,CNc1c(F)ccc(OC(=O)N(C)C=N)c1O,1,GDB ChEMBL
321967,C#CC12CCN1C(=O)C(N)(CO)C2[NH2+]C,0,GDB ChEMBL
354051,C[NH+](C)Cc1cnc(C[NH3+])c(=O)nc1[O-],0,GDB ChEMBL
176540,NS(=O)(=O)C1(C(=O)[O-])CC1C(O)CCO,0,GDB ChEMBL
38897,CC(O)C([NH3+])C(O)C(CO)NC(N)=O,0,GDB ChEMBL
115282,CC(=O)CCC12CCCCCCCC1CCC2,0,GDB ChEMBL
278235,CC[NH+](C)CC1OC2CC(C)C1C2C=NO,0,GDB ChEMBL
366482,CC(C)CC12CC(C(C)O)CC1C2(C)C,0,GDB ChEMBL
79267,Cc1cc(=N)ncc(O)c1OCC[NH3+],0,GDB ChEMBL
355776,CCC1CC[NH2+]C2(CCCC2C)C1,0,GDB ChEMBL
290016,COCC12OC1C(C(C)[NH3+])CC2(C)O,0,GDB ChEMBL
234916,[NH3+]CCN1CCC([NH3+])C1CO,0,GDB ChEMBL
46025,NC(=[NH2+])N1CC(O)C1,0,GDB ChEMBL
320489,CC[NH2+]C1(C)C2CC(C)=CC(C)C1C(C)O2,0,GDB ChEMBL
77376,CC1=CC[NH2+]CC2CC2([NH3+])CCCC1,0,GDB ChEMBL
53302,CCc1c(NC)nc[nH]c1=O,1,GDB ChEMBL
96080,C#CC1CCC1c1cc(I)ccc1C,1,GDB ChEMBL
366584,CC(COCC#N)OCC(=O)[O-],1,GDB ChEMBL
249581,CC1CCOC(C(F)(F)F)CC1C(N)=[NH2+],0,GDB ChEMBL
262298,CC1OCC[NH2+]C12CCC2,0,GDB ChEMBL
61693,CC1CC(O)C([NH3+])C12OC2CO,0,GDB ChEMBL
99671,Cc1nc(Cl)c(C)c(C(C)O)c1C#N,1,GDB ChEMBL
323931,CCC[NH+]=C(N)OC(C)C(N)=[NH2+],0,GDB ChEMBL
70189,[NH3+]CCn1cnc(=O)c(CC(O)CCCO)n1,0,GDB ChEMBL
303904,CC1CC2CC2OCC(=O)N1,1,GDB ChEMBL
197217,COc1noc(NC(N)=O)c1C,1,GDB ChEMBL
172756,CC1(C(=O)[O-])C2CC(=O)C1C2,0,GDB ChEMBL
142526,N#CC(O)C1NC1CC(N)=O,0,GDB ChEMBL
120666,CC(C[NH3+])C1(C)C(C)OC(=O)C(N)C1O,0,GDB ChEMBL
366736,CC(C)[NH2+]C(C)(C)c1cccc(N)c1F,0,GDB ChEMBL
346851,COCC(=N)NC(=O)[C-](C=O)C=O,0,GDB ChEMBL
11423,CC(C)(C)CCCC1=CC=CC(=O)C(O)C1,1,GDB ChEMBL
393984,COCCOCC1=[NH+]CCN1,0,GDB ChEMBL
274381,CCC12C(NCC(=O)[O-])C1[NH+]=CN2C,0,GDB ChEMBL
62021,CC[NH2+]C1CC#CC[NH+](C)CC(N)C1,0,GDB ChEMBL
167326,CC1=CC2CCCC1[NH+](C)CC2,0,GDB ChEMBL
181528,O=C(CO)CC#CCC1CCCCC1,1,GDB ChEMBL
23541,NC(=O)CC1OC(N)=NC12C[NH2+]C2,0,GDB ChEMBL
378231,CCc1sc(=N)nc(OC)c1CS(C)(=O)=O,1,GDB ChEMBL
354056,CNC(=O)OC(C)C([NH3+])C(C)C(F)(F)F,0,GDB ChEMBL
20134,CCC1C2CC(CO)COC1C(C(N)=O)[NH2+]2,0,GDB ChEMBL
300250,NC(=O)OC1C([NH3+])C(C(=O)[O-])C2C([NH3+])C12,0,GDB ChEMBL
381441,CC(CC(N)=O)C1NC(=O)C(N)C1[NH3+],0,GDB ChEMBL
156516,CCOCC(C)(CC)CC1CC1,1,GDB ChEMBL
204800,[NH3+]CCOCCC1(O)COC1,0,GDB ChEMBL
148960,CCCc1c(Cl)c(Cl)c2c(c1CC)CCC2,1,GDB ChEMBL
65572,CCCc1cc(Cl)cc(C[NH2+]C)c1O,0,GDB ChEMBL
332350,C#CCCc1c(C)cc2c(c1F)COCC2C,1,GDB ChEMBL
350644,N=C1COCC2CC(=O)NC(=O)N2C(=O)N1,0,GDB ChEMBL
112589,COC(C#CCC(N)=[NH2+])CCC([NH3+])C(C)C,0,GDB ChEMBL
300899,CCN1CC2(C[NH+]=C(N)C(C)O2)CC1=O,0,GDB ChEMBL
181646,CCCC(C)(CC)Oc1cc(N)c(N)nc1Br,1,GDB ChEMBL
305457,CCCC1(C)CC=CCCCCCC1,1,GDB ChEMBL
198662,CC([NH3+])Cc1nc(O)c(C(=O)[O-])c(=O)s1,0,GDB ChEMBL
29600,CCCCC1([NH3+])CC2CCC(CCCO2)C1C,0,GDB ChEMBL
26570,C#CC(C)(OC)C([NH3+])CCC,1,GDB ChEMBL
89660,CC1C=CC([NH3+])C2CC1C(C)(CCO)C2,0,GDB ChEMBL
314915,CCN1CC(=O)OCC(=O)COC(C)(C)C1=O,1,GDB ChEMBL
116628,c1cc(N2CCCC2)c[nH]1,1,GDB ChEMBL
210139,CCC1C(C(F)(F)F)CC2(C)C(C)CCC12,0,GDB ChEMBL
263398,CC#CCCCCC1([NH2+]CC)C=CCC1C,0,GDB ChEMBL
127139,CC(C)C(C)CC1CC2CCC(CC2)C1(C)C,0,GDB ChEMBL
280729,O=C1NC(CCc2ncco2)CO1,1,GDB ChEMBL
153229,NC(=O)C(Cc1csnn1)C(O)CC[NH3+],0,GDB ChEMBL
6087,C#CCCCCC(C[NH2+]CC#C)C1CCC1,0,GDB ChEMBL
338872,CC1=CC2CCCCC2[NH2+]CCC1,0,GDB ChEMBL
259370,CC12CC3CCC(=O)OCC3C1(C)C[NH2+]2,0,GDB ChEMBL
275467,CC1=CC[NH+](C)C1C(N)=O,0,GDB ChEMBL
284754,N#CCC(CO)CCNc1cccn1C(N)=O,1,GDB ChEMBL
15519,CS(=O)(=O)N1CC2CC(OC(=N)C2=O)C(O)C1,0,GDB ChEMBL
122910,Cc1cc(=O)[nH]cc1C1=C(C#N)CCC1O,0,GDB ChEMBL
280658,CC(C)C1C(=N)OC(=O)C(=O)CN1C,1,GDB ChEMBL
115010,CC12CCC(CC1=O)CC2=O,1,GDB ChEMBL
43901,CC1CCOCC([NH3+])C2CC12,0,GDB ChEMBL
344308,CCCC1(C)CC2CC1C(C[NH3+])C[NH+]2C,0,GDB ChEMBL
227603,CCn1nc2c(c1[O-])CC(=O)C(CC#N)N2C,0,GDB ChEMBL
380624,CC1CC([NH3+])C2C(O)C1CC2(C)CC[NH3+],0,GDB ChEMBL
186707,CN=C1OCOC1=NC(CO)C(=O)[O-],0,GDB ChEMBL
277596,CN(CC(C=O)NS(C)(=O)=O)C(C#N)C#N,1,GDB ChEMBL
130345,C#CC(C)(CC(=O)C(C)C)C(O)C(=O)[O-],0,GDB ChEMBL
209711,NC(=O)NC(C(=O)[O-])C1C2COC1C2[NH3+],0,GDB ChEMBL
235522,CCC1Cn2cc(CCO)c(O)c2C(=O)CO1,0,GDB ChEMBL
59233,CCc1cc(C(C)[NH+](C)CC)c(Cl)c(C)c1C,0,GDB ChEMBL
86677,CC(=O)c1cc(NC=N)ncn1,1,GDB ChEMBL
248868,O=C1CC(O)C2C3C4C(CO1)C4CN23,0,GDB ChEMBL
141757,NC1C(=O)OC2C(=O)NCC2C2OCC1O2,1,GDB ChEMBL
144952,C[NH+]1CC2(CCOC2)C1,0,GDB ChEMBL
184527,CCCC1OC(C)C(C)(O)C(C(O)C[NH3+])O1,0,GDB ChEMBL
59192,CC(C)(CO)C(=[NH2+])NCCNC(=O)CC=O,0,GDB ChEMBL
385955,CC([NH3+])Cc1ncc(O)nn1,0,GDB ChEMBL
358818,CN(C=O)C1=CCC(CO)OC1,0,GDB ChEMBL
217660,CCN(C(N)=O)C1CC(=NO)C1[NH2+]C,0,GDB ChEMBL
144529,COCC12CC1([NH3+])C(O)C(=O)N2C,0,GDB ChEMBL
379745,[NH2+]=C1NC2CC([NH3+])C1(C(=O)[O-])NC2=O,0,GDB ChEMBL
355311,C#CCCC[NH+]1CC(C)(C)C(CC)C1C(C)O,0,GDB ChEMBL
119957,C[NH2+]C(CO)c1cc(C[NH3+])cs1,0,GDB ChEMBL
334017,CC[NH+](CC(=O)[O-])CC(N)CC(C#N)[NH+]=CN,0,GDB ChEMBL
51063,CC1[NH2+]CCCCC2C3CCCC3C(C)C12,0,GDB ChEMBL
317753,C[NH2+]CC(O)C1(C)CCOC(C[NH3+])C(=O)OC1,0,GDB ChEMBL
294458,CCC(N)(C#N)C(C)CCC#N,1,GDB ChEMBL
84208,COC12OCCC1OC(=O)C2CC(N)=O,0,GDB ChEMBL
9687,C#CC1C=CCCC(OC)CC1=O,1,GDB ChEMBL
361766,[NH3+]C1C(O)C(O)CN2C(=O)NC(=O)C12,0,GDB ChEMBL
334684,CNC1=[NH+]CC(O)CC1N,0,GDB ChEMBL
204657,CC1(C(=O)[O-])CC1C1OCCC1[NH3+],0,GDB ChEMBL
26367,C#CC(CO)C1=[NH+]CCN1,0,GDB ChEMBL
65575,CCOC(=N)NC1C2[NH2+]CC(O)C12,0,GDB ChEMBL
126645,COC1C2[NH2+]C3CCC(CC3)C([NH3+])C(O)C21,0,GDB ChEMBL
296086,CCC(O)C1(C(C)O)CN(S(C)(=O)=O)C1,1,GDB ChEMBL
64288,C#CC1=C(C(=O)[O-])CC(C(C)C)[NH+](C)C1,0,GDB ChEMBL
330558,Cc1cc(C(C)[NH3+])c(N)n1C,0,GDB ChEMBL
292193,CCOC(=O)N1CC2C(C)C2NC1=O,0,GDB ChEMBL
204617,COC(=O)CCC([NH3+])C1OCOC(C#N)C1O,0,GDB ChEMBL
119859,COC(C#N)C(NC(=O)C(C)O)C(N)=O,1,GDB ChEMBL
108148,CCCN=CN(CC[NH3+])C(N)=O,0,GDB ChEMBL
398200,COC(=O)C1C2C[NH2+]C3(CO)CC3C21,0,GDB ChEMBL
53870,CC[NH2+]CCN[C-](C#N)C(=O)CC#N,0,GDB ChEMBL
169510,O=C([O-])CC1C2CCC(O)C(CO)C21,0,GDB ChEMBL
319357,CN1CCCC2(C)CC([NH3+])CC2C(N)(C#N)C1,0,GDB ChEMBL
18932,CC12CCCC([NH3+])C1C1C=CC2CC1,0,GDB ChEMBL
352204,C[NH2+]CCC(C[NH3+])C1CCOCC1C(N)=[NH2+],0,GDB ChEMBL
351294,COC(=O)CC(CO)c1cnc(O)nn1,1,GDB ChEMBL
83079,C=CC(C(C)C)C1CCC([NH3+])C1O,0,GDB ChEMBL
304099,CC(C#N)NCCCC1(C2CO2)CC1,1,GDB ChEMBL
321998,C[NH2+]C1CC1OC1CC1C(=O)[O-],0,GDB ChEMBL
280585,OCC1CC2(CC3OC3C2)[NH2+]CCN1,0,GDB ChEMBL
355324,C[NH2+]CCCCC(C=O)(C(C)C)C(C)C[NH2+]C,0,GDB ChEMBL
236545,CC12CC3COCC1CC3C2O,0,GDB ChEMBL
333621,CCC(O)(CCC(=O)Cn1cnnc1)C(=O)[O-],0,GDB ChEMBL
258288,CCC1=CC[NH+](C)C2C=CC1C(C)(C)C2,0,GDB ChEMBL
236676,CC1C2CCCCC3C(C1O)N3C2,0,GDB ChEMBL
188515,CCCCCc1c(C)nnn1C,1,GDB ChEMBL
244468,CC1=CC2C3CC[NH2+]C3C1(CO)C2CC[NH3+],0,GDB ChEMBL
122898,CCC1CCC(C)C2CCC(C)CC12C,0,GDB ChEMBL
140364,[NH3+]CCCCC(O)C1CN1C=O,0,GDB ChEMBL
149402,CN(c1nccs1)C1C(C2CO2)=CCC1O,0,GDB ChEMBL
351129,CCC1(O)C(CO)[NH2+]CC1(C)N(C)C(C)=O,0,GDB ChEMBL
263963,Cc1cccc2c1C1CC(C)(CCC2)C1,1,GDB ChEMBL
356819,CCCN=c1nccc(C[NH+](C)CC(C)O)o1,0,GDB ChEMBL
225067,CCC(O)C1CC([NH3+])C(C)([NH3+])C1,0,GDB ChEMBL
283431,CCC1C(=[NH2+])NC2C(=O)OC1C2O,0,GDB ChEMBL
395164,CC1(O)CC2(C)CC1C1CCC2CC1,0,GDB ChEMBL
45088,COC(=O)C(C)OC(=O)N(CC[NH3+])CC(N)=[NH2+],0,GDB ChEMBL
273629,C#CCCCC1CCC([NH3+])c2cncc(Cl)c21,0,GDB ChEMBL
377345,CC(C)C1C#CCC(C)([NH3+])CCCC[NH2+]1,0,GDB ChEMBL
234848,CC1CC(CO)C2OC2C(C=O)[NH2+]1,0,GDB ChEMBL
37114,C[NH2+]C1CN2CCOC(C(F)(F)F)C1(N)C2,0,GDB ChEMBL
334578,C#CCC1CCCOC(C)C(C)C1(C)[NH+](C)C,0,GDB ChEMBL
304652,COCC1OC(=O)NC1C[NH3+],1,GDB ChEMBL
356866,CCOC(=O)N1C(OC)=NCC1CO,1,GDB ChEMBL
61266,C#CC1C2CCCCCC(CC)C1[NH+](C)CC2,0,GDB ChEMBL
292736,COC1(CC(=O)[O-])C2NS(=O)(=O)CC([NH3+])C21,0,GDB ChEMBL
325695,CCOCCN1CC(N(C)CC#N)C1,1,GDB ChEMBL
33884,CCOC(=N)CCC1C([NH3+])CC(CO)N1C=O,0,GDB ChEMBL
386681,CCC1(C(=O)[O-])CCC(C)([NH3+])CNC(=O)C1C,0,GDB ChEMBL
101907,CS(=O)(=O)N1CC1COCC(=O)[O-],1,GDB ChEMBL
147553,CC12CC1C(=O)NC=[NH+]CCC2C(=O)[O-],0,GDB ChEMBL
148214,CC1NC(=O)C(N)(C#N)C(C)C1C[NH3+],0,GDB ChEMBL
288458,N#CC(O)CN1C(CC[NH3+])C1CCO,0,GDB ChEMBL
6117,CC1CC=CCC(CCO)C1,0,GDB ChEMBL
300014,CC1C2OCC2C([NH3+])C1C(=O)[O-],0,GDB ChEMBL
205787,Cc1cc(N)c(=O)[nH]c(=O)n1,0,GDB ChEMBL
311633,CCC1CCCCC2(C=O)CC12,0,GDB ChEMBL
134789,CC(CO)[NH2+]CCCNC=O,1,GDB ChEMBL
257994,CCC1C[NH2+]C2C3CC3C(C)(C1)C2C,0,GDB ChEMBL
37156,Cc1c(I)cc(C(C)C)c2c1CC(C)(C)C2,1,GDB ChEMBL
99861,CC1=CCC(=O)C(C)(C)C1CC1CC1,0,GDB ChEMBL
204458,CC(O)C(O)C1[NH2+]CC2CCN(C(N)=[NH2+])C21,0,GDB ChEMBL
40031,CS(=O)(=O)[N-]C(=O)CN=C(N)C=O,0,GDB ChEMBL
354477,CC1CC2CCC(C1)[NH+](C)CC2,0,GDB ChEMBL
22035,CCC1[NH+](C)C2CC1(C)CC2(C)C,0,GDB ChEMBL
308233,CC1=C2CCC=CCC[NH2+]C2C(=O)N1,0,GDB ChEMBL
87645,C#CCCC(C)C(C#C)=CCCC,1,GDB ChEMBL
306296,CNC(=O)OC1(C)CC1(OC)C(C)O,1,GDB ChEMBL
47667,COCC1C(=NO)C(C#N)N1S(C)(=O)=O,0,GDB ChEMBL
285762,[NH3+]C1CC2[NH2+]C3C(=O)NCC2C13,0,GDB ChEMBL
112598,Cc1c(CC#CC(C)C)ccc(F)c1F,1,GDB ChEMBL
257517,CS(=O)(=O)NC1C2NC1C(CO)OCC2[NH3+],0,GDB ChEMBL
189882,CS(=O)(=O)c1c(C=O)cn2c1CCC2,1,GDB ChEMBL
199023,C#CCCC12CCCC(C)CCCC(CC1)C2,0,GDB ChEMBL
117353,CC([NH3+])C[NH2+]C1CC2(C)COC1CC2O,0,GDB ChEMBL
282013,COCc1cnc2c(Cl)c(CC#N)cnc2n1,1,GDB ChEMBL
87523,CCC(C)CC1CCCC(CC(C)C)C1CC,1,GDB ChEMBL
132216,CN=C1COC(=O)NCC(C#N)N1,0,GDB ChEMBL
186683,COCC1COC1C(O)C[NH3+],0,GDB ChEMBL
135451,CC(OCC(N)=O)C(C[NH3+])(C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
24762,CN1CC(C#N)(C(=N)Nc2ccon2)N=C1N,1,GDB ChEMBL
112468,CC1CC2(NC(N)=O)CCC(O)C2NC1=O,0,GDB ChEMBL
217337,CCC1N(C=O)C(=O)C2(CO)NCC12C[NH3+],0,GDB ChEMBL
348815,C[NH2+]C1CC2COCC(C(N)=O)NC21,0,GDB ChEMBL
157074,CC1C([NH3+])CC2C1CCCC1CC2[NH+](C)C1,0,GDB ChEMBL
149387,COc1nn(C)c(CO)c1N,1,GDB ChEMBL
313298,CNC(=O)C(O)C(C)[NH2+]C1C(C)C1O,0,GDB ChEMBL
354408,CC1OC(C[NH3+])CC(OC=O)C1O,0,GDB ChEMBL
78343,CC1(Oc2cnncc2C(N)=[NH2+])COC1,0,GDB ChEMBL
186776,Cn1nc(N)cc1N(CC1(O)CC1)S(C)(=O)=O,1,GDB ChEMBL
132450,CC1NS(=O)(=O)C(C(=O)[O-])C1[NH3+],0,GDB ChEMBL
304403,CCCC12CC1[NH2+]CC(N)(CO)CO2,0,GDB ChEMBL
148858,N#CC1(N)CNCC([NH3+])C1COC(N)=O,0,GDB ChEMBL
323297,OCCC(O)C1=CC[NH2+]C1,0,GDB ChEMBL
121090,COC1(C)C2CCC[NH2+]C1C(NC(C)C=O)C2,0,GDB ChEMBL
142929,Cc1cc(CC(N)=O)c(O)cn1,1,GDB ChEMBL
134490,CC(=O)C1CC(C)N2CC12C#N,0,GDB ChEMBL
49168,CC1=C[C-](C#N)C(=O)C(O)(C(N)=O)C1O,0,GDB ChEMBL
385986,CCC(C)(C)C1C(N)=[NH+]CC(O)C([NH3+])C1NC,0,GDB ChEMBL
115046,CC[NH+]=C(N)c1cccs1,0,GDB ChEMBL
316149,Nc1cc2c(cn1)nnn2CC=O,1,GDB ChEMBL
17298,C=CCC1(CC)C=C(C)CC(C)C1,1,GDB ChEMBL
136517,C=CC1C(C)C(OCCC)C1OC,0,GDB ChEMBL
203183,[NH3+]C12CCC1CNC2=O,1,GDB ChEMBL
200989,C#CCC(CC(=O)OC)C(C)OC,0,GDB ChEMBL
383739,CC1C=C2CC(=O)NCC2(C[NH3+])C1O,0,GDB ChEMBL
180029,CCCC1C2C3C=CC(C3)C([NH+](C)CC)C12,0,GDB ChEMBL
252330,CC1CNC(=O)N(C)C=NCC(C)([NH3+])CC1O,0,GDB ChEMBL
53307,CC[NH2+]C(CC(=N)NS(C)(=O)=O)C(O)C[NH3+],0,GDB ChEMBL
325696,CC(=O)c1ccc(O)c(C)c1Br,1,GDB ChEMBL
1083,COCC1=CC2(CC2)C(C)([NH2+]CC(C)C)C1,0,GDB ChEMBL
217108,C#Cc1c(I)ccnc1C1CC1COC,1,GDB ChEMBL
252326,C[NH2+]CC1CC(C#N)NS1(=O)=O,0,GDB ChEMBL
7405,CC(=O)N1CC2CCC[NH+]2C2C1=CC1CC12,0,GDB ChEMBL
225232,Cc1cnc2ccccc2c1C1CO1,1,GDB ChEMBL
274168,C#CCNC(=O)C1(N)CCOC(=N)C1N,0,GDB ChEMBL
284891,Cc1c(O)c(I)c(C[NH3+])c2ccoc12,0,GDB ChEMBL
33277,CC1CC2CC1(O)CC2c1cccs1,1,GDB ChEMBL
294239,CC1C[NH2+]C(C2CCC(O)C2)C(N)C1CC#N,0,GDB ChEMBL
122887,CCC12CCCC1C1OCCCC1C[NH2+]C2,0,GDB ChEMBL
188098,CCCC1CC[NH+]2CC(C)(C)CC([NH3+])CC12,0,GDB ChEMBL
238576,CC(=O)c1c(OC(N)=[NH2+])ccc(O)c1Br,0,GDB ChEMBL
181597,C[NH2+]CCCC1C=CCC2CCC1C2,0,GDB ChEMBL
303910,NC(=[NH2+])C1CN(C(N)=O)CC1=NO,0,GDB ChEMBL
200615,CNC(=O)c1c(N)snc(OCCO)c1=N,0,GDB ChEMBL
343936,N#CC12CC1(CNc1cc[nH]n1)C(=O)CN2,0,GDB ChEMBL
262580,COCC1NC(C(=O)[O-])C1(C)OC(N)=O,0,GDB ChEMBL
89127,Cc1c(O)cnc(O)c1OC(C)C,1,GDB ChEMBL
353538,O=C1CNCS(=O)(=O)CC(C(O)CO)N1,0,GDB ChEMBL
325865,O=C([O-])C1CC1(O)C1CC1,1,GDB ChEMBL
29216,CCc1ncc(=O)nc(CCCC[NH3+])c1[O-],0,GDB ChEMBL
60633,[NH3+]CC1C=CC2CC3Oc4ccccc4C123,0,GDB ChEMBL
318016,C#CC(CC)C1OC1C[NH2+]C,0,GDB ChEMBL
218840,N#CC1CC(=O)OC(C[NH3+])CO1,0,GDB ChEMBL
147919,CCN1C(=O)C2CC(C(=N)O2)C(OC)C1C,0,GDB ChEMBL
250614,[NH3+]C1CCOc2cnc(cc2O)COCOC1,0,GDB ChEMBL
89362,CCC1CC(C#N)C1C(C)[NH2+]C,0,GDB ChEMBL
84221,C#CCC(C)(C)C(C)C(C)(C)[NH+]1CCNCC1,0,GDB ChEMBL
284393,CC1(C(N)=O)CC1C(O)C(O)CO,0,GDB ChEMBL
277964,C#CCC1NCCC([NH2+]CC(=O)[O-])CNC1=O,0,GDB ChEMBL
9906,C=C1C=CN2C(=O)CCC(C)CC12,0,GDB ChEMBL
339996,CCC1C(C)C2(C)C[NH+]1CCN2,0,GDB ChEMBL
174937,CCC1(c2ccc(C)cc2)CCC1=NO,1,GDB ChEMBL
28949,NC(=O)C1OC1C1[N-]C(=O)NC1=O,0,GDB ChEMBL
290527,C#CCCc1ccc(C(C)CC)c(O)c1O,1,GDB ChEMBL
49112,C#CC(O)C1NC(C)=[NH+]C(C(=O)OC)CC1C,0,GDB ChEMBL
395132,Cc1cc(OC2CC2)n[nH]c1=O,1,GDB ChEMBL
346534,CCC1=CCC2C1C2c1cc(C)cc(Cl)c1,0,GDB ChEMBL
227310,CC1(O)CCNC(C(N)=O)C[NH2+]CC1,0,GDB ChEMBL
62571,CC1OC(=O)C2(N)CC(O)C(=O)NC1C([NH3+])C2,0,GDB ChEMBL
7768,CCC(CN)NC(=[NH2+])CC1C[NH2+]CC(C)C1,0,GDB ChEMBL
78649,CCC(C(C)C(O)C[NH3+])N(C)c1ccno1,0,GDB ChEMBL
238525,N=C(N)n1c(=O)c(=O)[c-]2n(c1=O)C2,0,GDB ChEMBL
39788,COC1=NCC2CC(N1)C(OC)C(O)C2[NH3+],0,GDB ChEMBL
376050,N#CC1CC=C(C=O)CN1,1,GDB ChEMBL
43553,CC(C)(O)C[NH+]1CCOCC(c2ncco2)C1,0,GDB ChEMBL
379858,C#CCc1c(C)cc(F)c(CC(F)(F)F)c1C,1,GDB ChEMBL
185970,CCC1(C(C)OC)C(C)[NH2+]CC[NH2+]C2CC21,0,GDB ChEMBL
198778,Cc1ncc(C(C)C(C)O)cc1C#N,1,GDB ChEMBL
180965,C#CCOc1cc(Br)ccc1N,1,GDB ChEMBL
375587,C#CC(CC)c1c(C(C)(C)C)ccc(C)c1F,1,GDB ChEMBL
200569,COc1c(OCC(=O)[O-])sc(C)nc1=N,0,GDB ChEMBL
35013,CC1C2[NH2+]CCC3OC(=O)C3C1C=C2C#N,0,GDB ChEMBL
156204,CC1(CC2(C#N)CC2)C=CCC(C(N)=O)[NH2+]1,0,GDB ChEMBL
217368,CCC1OC(C)C(CO)OC2CC([NH3+])CC12O,0,GDB ChEMBL
382968,CC#Cc1cc(F)c(C)c(F)c1C1(C)CC1,1,GDB ChEMBL
182893,CCCN(CCC)c1cnc(C(F)(F)F)cn1,1,GDB ChEMBL
363007,C#CC(CC)C(=C)CCC=C(C)C,1,GDB ChEMBL
334676,COC(=O)C(CC#N)NC=[NH2+],0,GDB ChEMBL
217340,O=CN(C1=NCCN1)c1cccc(I)c1[O-],0,GDB ChEMBL
301453,C1=CC2CCC(CCC1)CC2,1,GDB ChEMBL
330403,NC12C(=O)NCC1C([NH3+])(CCC[NH3+])COC2=O,0,GDB ChEMBL
112416,COCC1C(=O)CCC(C)(C)C1(C)OC,0,GDB ChEMBL
284764,c1ncc(C2CCCC[NH2+]2)s1,0,GDB ChEMBL
337204,CCOC(CCO)C(C)=O,1,GDB ChEMBL
108672,CCCC1(C(C)C=NO)CCOC1C(=O)[O-],0,GDB ChEMBL
258715,C#CC1CCC(C)C1CC(C)(C)CCCCC,0,GDB ChEMBL
300508,CC(C)(O)C(=O)N1C=NCC([NH3+])CNC1=O,0,GDB ChEMBL
74298,C#CCc1cc2c(c(C)c1Cl)CCC2CC,1,GDB ChEMBL
227301,C#CC(C)(CC)c1ccc2c(c1)CC(C)C2=O,1,GDB ChEMBL
48717,NC(=O)c1csc(-c2cnc(CO)cc2Br)n1,1,GDB ChEMBL
112602,C#CC(CC(=O)C(C)C)Cc1nc(C)cs1,1,GDB ChEMBL
258023,C[NH2+]CC1(C[NH3+])CC(CC#N)C1,0,GDB ChEMBL
384812,C#CCN1CC([NH3+])C2(O)CC(C)C(O)C12,0,GDB ChEMBL
304061,CCC1(CC[NH3+])NC1CO,0,GDB ChEMBL
62098,CC1C(O)C([NH3+])C(N)CC([NH3+])CN1S(C)(=O)=O,0,GDB ChEMBL
34449,C[NH2+]C(C)(C)Cc1nc(C(C)(C)CO)cs1,0,GDB ChEMBL
109559,CCCCNC(=O)C(CO)N=CNC(C)C#N,0,GDB ChEMBL
127707,CCCC1([NH2+]C)C(C)C2NC1C(OC)CC2=O,0,GDB ChEMBL
201014,[NH3+]C1CC2COC(=O)C3C2N3C1=O,0,GDB ChEMBL
324309,N#CCNC(=O)OC(=N)C(N)C(N)=O,1,GDB ChEMBL
194509,COC1CNC(C([NH3+])CO)CS(=O)(=O)NC1,0,GDB ChEMBL
390485,CC[NH+]1C(C)C=CC1C(C)(C)C,0,GDB ChEMBL
358282,N#CC1CC(C(N)=O)C1COS(N)(=O)=O,0,GDB ChEMBL
338323,CCCc1n[nH]c2cc(O)c(F)cc12,1,GDB ChEMBL
127863,C[NH2+]CCC(C)C1C(C[NH3+])N1C,0,GDB ChEMBL
136067,NC(=O)C1CC2OC21C(=O)[O-],0,GDB ChEMBL
338345,CCC1(C#N)[N-]C(=O)C2NS(=O)(=O)OC21,0,GDB ChEMBL
398940,OC1C2CC3C[NH+]2CCC1C31CO1,0,GDB ChEMBL
307919,CCC(C)(C)C(CCC(=O)OC)c1cnn[nH]1,0,GDB ChEMBL
174815,[NH3+]C12CC1C(=O)NC2CO,0,GDB ChEMBL
124267,C#CC(=O)NCCCC[NH2+]CCOC,0,GDB ChEMBL
370277,NS(=O)(=O)CC(CO)CNC(=O)CCO,1,GDB ChEMBL
330045,CC1CCC2[NH+]1C1(CC(=O)[O-])CC2(C)C1,0,GDB ChEMBL
210424,CC[NH+]=CN(C)C(C#N)(CCO)CCO,0,GDB ChEMBL
3836,COC(=O)Nc1ncc2c(O)c(C)[nH]c2c1Cl,1,GDB ChEMBL
65955,C[NH2+]CC1=CN(S(C)(=O)=O)C(C([NH3+])CO)C1,0,GDB ChEMBL
47184,[NH3+]CCC1CCC2C3CC(NS(=O)(=O)C3)C2O1,0,GDB ChEMBL
195336,O=C(NCC1CC1)C1CCc2n[nH]cc2O1,1,GDB ChEMBL
67365,COC1CC2C3C[NH2+]C(C(=O)[O-])C3N2C1C,0,GDB ChEMBL
77326,CCC=C1C[NH+](C)CCC1CCC,0,GDB ChEMBL
280863,C[NH2+]C1(CN)C2C3CC(c4cnccc43)C21,0,GDB ChEMBL
391617,CC1=CC(C)C(C(F)(F)F)CCC1,0,GDB ChEMBL
337813,CC#CC(O)c1[nH]cc2ccc(C#N)cc12,1,GDB ChEMBL
389625,CCN1CCNC(C)(C)C(=O)C1,1,GDB ChEMBL
51337,CNC1=[NH+]CC(C=O)OCC1C(O)CC(=O)[O-],0,GDB ChEMBL
227526,CC1CC([NH3+])COC2(CCCC(O)C2)O1,0,GDB ChEMBL
362853,C[NH2+]C1CNC2(C(N)=O)C(O)C12,0,GDB ChEMBL
294463,CC1(C[NH3+])C(C(=O)[O-])C2CN2C1CCO,0,GDB ChEMBL
44369,CCC(=O)NC(C#N)C1(C[NH3+])C[NH2+]C2CC21,0,GDB ChEMBL
112403,CC1N=C2C([NH3+])c3ccccc3N2CC1(C)C,0,GDB ChEMBL
251407,C#CC(C)(C)c1ccc(C)c(CC)c1NC=O,1,GDB ChEMBL
180989,CCCC(C[NH3+])CC(C)C,0,GDB ChEMBL
177080,COC12C[NH+](CC1C)C1CC1C2O,0,GDB ChEMBL
87064,CCC1C=CCN(C=O)CC([NH3+])C1,0,GDB ChEMBL
90333,NC(=[NH2+])CC1=[NH+]C(C2CCC(=O)O2)CN1,0,GDB ChEMBL
258302,C#CC1(N)CNC(=O)CCN(C(N)=[NH2+])C1CO,0,GDB ChEMBL
354853,O=S(=O)([O-])CC1C(O)CCc2cncn21,0,GDB ChEMBL
95479,CC1CC1C(C#N)C(=O)N(C)C,1,GDB ChEMBL
398831,CCC(=O)N1C=C(CO)CC(=O)OCC1,0,GDB ChEMBL
359192,CS(=O)(=O)N1CC2([NH3+])C3OC(CO)C1C32,0,GDB ChEMBL
202023,CC1=CC(C)C2CCC(C)(C(=O)CO)C12,0,GDB ChEMBL
172370,CN1C(=O)C2(C=CC3OC32C)C(O)C1CO,0,GDB ChEMBL
207730,CC1CC(C2OC2C)COC(=O)N1,0,GDB ChEMBL
186039,N#CCN1CCNC(=O)CNC(=[NH2+])CC(O)C1,0,GDB ChEMBL
296643,CCc1cc(F)c(CC(=O)CO)cc1C[NH2+]C,0,GDB ChEMBL
263545,CNC(=[NH2+])N(CC(C)=O)CC1(C)C[NH2+]C1,0,GDB ChEMBL
332656,OCC1CC1C1CC2CCC1C2,1,GDB ChEMBL
334714,O=C1[N-]S(=O)(=O)CC2C[NH2+]CC(CO1)C2,0,GDB ChEMBL
252095,NC1C2CC(C(C(=O)[O-])C(=O)N2)C1[NH3+],0,GDB ChEMBL
74314,C#CCC(C)C(C)(C)c1nn(C)cc1CCC,0,GDB ChEMBL
260138,CCC(C[NH3+])CNC(=O)C[NH3+],0,GDB ChEMBL
64623,COCCCC(CO)OC,1,GDB ChEMBL
277882,CCOC1(C(C)C)CC([NH3+])C1,0,GDB ChEMBL
366534,CCC(=O)C1=CN(CC)CC12CCC2,1,GDB ChEMBL
58992,Cc1ccc(OC2(C)COC2)cn1,1,GDB ChEMBL
388273,COC12CCC(C)C1C[NH+](C)CC2N,0,GDB ChEMBL
355837,[NH3+]CC1CCOC(=O)C2NC(=O)NCC2NC1,0,GDB ChEMBL
180946,CC([NH3+])CC12CN1CC([NH3+])C(O)CC2C,0,GDB ChEMBL
155768,CCn1cc(C)c(N)c1C([NH3+])CO,0,GDB ChEMBL
83002,CNC(=O)CC1C2COC(=N)C21OC,0,GDB ChEMBL
351433,CC1C2CCCC1C1CCCC[NH+]1C2,0,GDB ChEMBL
115884,CCCC(CO)C(C)CC,1,GDB ChEMBL
341314,COC(C(=O)[O-])C1(N)C(=O)NC(C(N)=[NH2+])C1O,0,GDB ChEMBL
303920,CC(O)(C#N)C(CC(N)=O)OC(CO)C(N)=O,0,GDB ChEMBL
174238,CNC(=O)C(=O)N(CC(O)C=O)C(=O)CCO,1,GDB ChEMBL
136170,CCC(CNCC#N)c1sc(C)cc1C(N)=[NH2+],0,GDB ChEMBL
115456,NC(=O)C(OCCC(CO)NC=O)C(O)C[NH3+],0,GDB ChEMBL
160386,CN1C(c2cn[nH]c2)=[NH+]CCC1(C)C,0,GDB ChEMBL
115748,C#CC1CC2C[NH+](CC3CC3)C1C2O,0,GDB ChEMBL
133327,O=C([O-])COCC1[N-]C(=O)NC1=O,0,GDB ChEMBL
250594,CCCCCC1C(C)C2C=CC(C2)C2CC21,0,GDB ChEMBL
150522,CCC(C)C1CC2(C)CCC(CO1)C2,0,GDB ChEMBL
275635,CCC1[NH2+]C2C(C)CC1C2O,0,GDB ChEMBL
33225,CCCCC12CC(C)C(C)(O)C1(C)C2,1,GDB ChEMBL
302441,CC1[NH2+]C2COC(=O)C(N)(CO)C2C1(C)O,0,GDB ChEMBL
104430,CC1=CC(=O)CC(=O)NCC(CCO)C1,1,GDB ChEMBL
337203,CC1(CCCCC#N)CCCC1=O,1,GDB ChEMBL
127690,C#CC1=C(CC)N(CCOC)C(=O)C1,0,GDB ChEMBL
41301,C#CC(C)COCc1cc2sccc2cc1I,1,GDB ChEMBL
382608,C=CCC(CO)C1C2CCC1OC2,0,GDB ChEMBL
343229,CC[NH2+]C(C)C1COC(=O)CC(CO)C(C)N1,0,GDB ChEMBL
361030,Cc1cc2c(c(C)c1Cl)c(=O)o[c-]2C#N,0,GDB ChEMBL
225240,CC12C(O)C1C(O)C1CCC(=O)N12,0,GDB ChEMBL
238170,CCCC1CCC(CC)C2(C)CCCCCC12,0,GDB ChEMBL
228388,CC(C)(C)COCc1ccc([O-])c(Cl)c1C#N,0,GDB ChEMBL
263988,CC(C)(C[NH3+])CC1(O)CCc2n[nH]cc2C1,0,GDB ChEMBL
297290,C[NH2+]C1CC2CC2(C[NH3+])C1,0,GDB ChEMBL
37330,CCCCC1(C)CC=C(C)C1C(C)COC,0,GDB ChEMBL
147849,CCC1N(C)C(=O)C2CN2C(=[NH2+])NC1(C)C,0,GDB ChEMBL
79333,CNc1cc(C(F)(F)F)sc1C,1,GDB ChEMBL
383945,CC1=CC2(C)CC(C2)c2ccc(Cl)cc2C1,0,GDB ChEMBL
111943,COC(=O)CC([NH3+])C1=CC(=O)NC1,0,GDB ChEMBL
281172,CNC(N)=[NH+]CC1C(=O)NC(=O)N1C,0,GDB ChEMBL
217061,[NH2+]=C1NCC2CCCC(CCO2)N1,0,GDB ChEMBL
41134,CC1CC2C(C)[NH2+]CC(CC2(C)O)C1O,0,GDB ChEMBL
284801,CCCCC1=C(C)CC(C)(C[NH3+])C(=O)N1C,0,GDB ChEMBL
274395,CCCCC1CC(C)(CC)C2C(CC)CCC12,0,GDB ChEMBL
41067,CC1=C(C)Cc2c(ccc(Cl)c2C)C1,1,GDB ChEMBL
277665,CC1=CC2CC=CCC(CCCC2)C1,0,GDB ChEMBL
202494,CCC1CC2CC(CCC(C)(C)C2)C(C)C1C,0,GDB ChEMBL
249408,C#CC(CO)OCc1c(O)ccc(CO)c1Br,1,GDB ChEMBL
333071,CCCCCC1(C)C(CC)C(C)C2CCCC21,0,GDB ChEMBL
238565,CC1(C(CO)C(=O)CO)CC1,1,GDB ChEMBL
285712,CNC(=O)N1C(CO)C1C(O)C(=O)[O-],0,GDB ChEMBL
99667,C#CC1CC2CCCC2c2cccc(C)c21,0,GDB ChEMBL
291901,CCC(C)(C)C(O)CC(=O)N(C)C(C)=NC,1,GDB ChEMBL
67342,CC1(C)CC(C2=CC[NH2+]CCC2)C1,0,GDB ChEMBL
195465,C#Cc1c(CC2CC2)ccc(F)c1CCC,1,GDB ChEMBL
113494,COCCC1CC(C)(O)C2C(O)CC12,0,GDB ChEMBL
48140,CC1C=CCC=CCC(C)(C)C1,0,GDB ChEMBL
131669,CC(C)C1CCCCC1C1C[NH2+]1,0,GDB ChEMBL
391806,CCC(CC#N)Cn1ccc2c(Cl)cncc21,1,GDB ChEMBL
242659,CN1C(=O)NC2CC2(CCO)C(=O)C1=O,0,GDB ChEMBL
48703,C[NH2+]CC1CC(C#N)(CC(=O)OC)C1C,0,GDB ChEMBL
65636,CC[NH2+]CCC(=O)C1COC2OC(=O)NC2C1,0,GDB ChEMBL
348577,CCCC(O)CC12CC(C)C(CO)(C1)C(C)C2,0,GDB ChEMBL
112603,COCCCC(O)CC(O)COC=N,1,GDB ChEMBL
157101,CCCCC(C)CC1C2CCCC21C,0,GDB ChEMBL
108119,COC(=O)C1(C(=O)CS(N)(=O)=O)CN(C)C1,0,GDB ChEMBL
384832,C[NH+]=C1NC2CCOCC(C#N)C2N1,0,GDB ChEMBL
398997,CC12C(O)C1C(=O)NCC([NH3+])C2C(N)=O,0,GDB ChEMBL
306015,C#CC1CCCC(C(C)C)OC1COCCC,0,GDB ChEMBL
157066,C[NH2+]C1C2(CC2)CC2C=C(C)CC21C,0,GDB ChEMBL
122928,CC(C)CCNC(C#N)C=O,1,GDB ChEMBL
44690,CC#CC1(CO)Cc2ccncc2C1,1,GDB ChEMBL
322949,COC1C=CC2(C)NC(N)=[NH+]C(C(=O)[O-])C12,0,GDB ChEMBL
358632,CC1CC(O)CCC(C(N)=O)C(C)[NH2+]1,0,GDB ChEMBL
312856,COC1C(OC(N)=O)C(O)C1C([NH3+])C(=O)[O-],0,GDB ChEMBL
151785,C[NH2+]C(C)CC([NH3+])C1NC(=O)CC1C,0,GDB ChEMBL
142369,CNC(C[NH3+])CC(CC(=[NH2+])N(C)C)OCC#N,0,GDB ChEMBL
109515,CCC1CC2C(=O)COC(C)(C)C2(O)C1,0,GDB ChEMBL
258215,CC1CC(C)([NH3+])CCOC1=N,0,GDB ChEMBL
348723,C1CC2CC2CC2(CC2)CC2CC2C1,0,GDB ChEMBL
331138,COc1n[nH]c(CCO)c1OCC(C)=O,0,GDB ChEMBL
40033,COCCC1COCC2C[NH+]1C2,0,GDB ChEMBL
102316,CC1=CC2(CCCC2)CN(S(C)(=O)=O)CC1,1,GDB ChEMBL
267385,CCC(C=O)C(C)(O)CO,1,GDB ChEMBL
29485,CC1CC([NH3+])C2(C(=O)[O-])C([NH2+]1)C2OCCO,0,GDB ChEMBL
362337,O=CC1C(=O)NC(=O)N1CC1CC1,1,GDB ChEMBL
72000,C[NH+](C)CC1CC(C)(OCC2CC2)C1,0,GDB ChEMBL
124856,COC12CC[NH2+]C(CCO1)C2C(C)(O)CC#N,0,GDB ChEMBL
81604,COC(=N)N1CC(NCC[NH3+])C1=O,0,GDB ChEMBL
156541,CC1CC=CC2[NH2+]CC1C2C[NH3+],0,GDB ChEMBL
42590,N#CC1(CO)C(=N)NC(C(=O)[O-])C1N,0,GDB ChEMBL
359151,C#CCCCC1[NH2+]CC=CCC=CC1(C)C,0,GDB ChEMBL
228340,N#CC1C2CC(O)C(O)C1COC2=O,0,GDB ChEMBL
128299,CCC(C)=CCCC=C1CC=CC1,1,GDB ChEMBL
40037,NC(=[NH2+])C1C(=O)OCC=CC1O,0,GDB ChEMBL
232082,CCc1cccn1-c1cccc(F)c1,1,GDB ChEMBL
210256,CC(C)C1CN(C)C(=O)N1,1,GDB ChEMBL
62773,CC#CC(CCC)C1(O)CC2=C(CCC2)C1,0,GDB ChEMBL
285545,CC#CC1=CC(C)OCC[NH+](C)C1,0,GDB ChEMBL
313730,CC(C)C1=CC(C(C)C)C[NH+](C)CC=C1,0,GDB ChEMBL
366481,CC1[NH2+]C2CC(Nc3nccnn3)C1C2,0,GDB ChEMBL
8735,CN1C(C#N)CC(c2cscn2)C2CC21C,0,GDB ChEMBL
269336,CCOc1cc(O)c(C)c(C(OC)C(C)C)c1,1,GDB ChEMBL
267891,CC1(C(=O)C(F)(F)F)CC=CC1,1,GDB ChEMBL
121086,NC(=O)C1[NH2+]C2C3COCC1C32,0,GDB ChEMBL
250617,CC(O)C(O)C([NH3+])C1(C(N)=O)CO1,0,GDB ChEMBL
47391,CC1CC(C(=O)NCCO)[NH2+]1,1,GDB ChEMBL
32036,CC1CC(CN(C)C=O)C(C2CC2)C1,0,GDB ChEMBL
146916,NC(=O)CC1(N)C([NH3+])C(O)C(O)C1C[NH3+],0,GDB ChEMBL
363818,COCC1[NH2+]C(C)C2CCCC1C2,0,GDB ChEMBL
130408,CN(C(=N)NC(C#N)C#N)S(C)(=O)=O,1,GDB ChEMBL
79478,CC(=O)N(C)C1CC(C2=CCOC(=O)C2)C1,0,GDB ChEMBL
346564,C#CCN(CCc1ccc[nH]1)C1(C[NH3+])CC1,0,GDB ChEMBL
337435,CN1C=CC(C(=O)[O-])NC1=O,0,GDB ChEMBL
34882,CCCC(O)(C[NH3+])C[NH3+],0,GDB ChEMBL
105113,C#CC(CCCC)C(CCC)CCCCC,1,GDB ChEMBL
319167,CC#CC1C2CCC1c1cc(F)ccc1C2,0,GDB ChEMBL
35686,CC1C([NH3+])C(C(N)=O)C2C(C)C3CCOC3C12,0,GDB ChEMBL
26914,C=C(CC(C)CC[NH3+])C(C#N)NC,0,GDB ChEMBL
256019,CCC(C(C)CO)C1C=CCCC(CN)[NH2+]1,0,GDB ChEMBL
338900,C#CC1=CC(C)CC1[NH2+]CC,0,GDB ChEMBL
4779,CCC1OCCC(C)N2CC2C1C(C)CO,0,GDB ChEMBL
381502,CCCCOCc1ncn[nH]1,1,GDB ChEMBL
203132,CN1C(=O)NCCOC2(CO)CC12,0,GDB ChEMBL
170300,C#CC1OCC1(CC1CCCCC1)[NH2+]CC,0,GDB ChEMBL
263178,CC#CCc1ccc(Br)c(CCCC)c1,1,GDB ChEMBL
163429,COC(=O)CC([NH3+])C1C([NH3+])C1O,0,GDB ChEMBL
39718,COC1CC2[NH2+]C(C)(CO)C(O)(C1)C2O,0,GDB ChEMBL
217122,O=C1CNC(=O)C(O)C2NC2CN1,0,GDB ChEMBL
151086,O=C([O-])CN1CC2(O)CNC2CS1(=O)=O,0,GDB ChEMBL
303878,CN1C(=O)NC2CC(=O)C(O)C21C(N)=O,0,GDB ChEMBL
133180,COCC1([NH3+])C2OC(=O)C1C(O)C2O,0,GDB ChEMBL
249410,C#CC1(CO)OC(=N)N(CCC)C1=O,0,GDB ChEMBL
9976,CCNc1nc(Br)c(O)nc1C,1,GDB ChEMBL
10573,CC(=O)OCC1(C#N)[N-]C(=O)C2C(=[NH2+])NC21,0,GDB ChEMBL
133989,OCCc1cc(O)cc2cncnccsc12,0,GDB ChEMBL
307893,CCCC1CC(C2CC[NH+]2C)=CC1C,0,GDB ChEMBL
132819,CC1NC(=O)CC(=O)CC1(O)CO,0,GDB ChEMBL
236578,CCC(C)C1CC2[NH2+]C3CCCCC3C2C1,0,GDB ChEMBL
130217,CCC1CN2C(C#N)C2(C(C)[NH+](C)C)C1,0,GDB ChEMBL
64092,CC1C2CCn3nccc3N2CC(C)(C)C1C,0,GDB ChEMBL
208592,CC(=[NH2+])N1C(C)C(C)CC1(CO)C(C)C,0,GDB ChEMBL
374380,CCOC1C2CC(C1C)C(C(C)(C)C)C2,0,GDB ChEMBL
121516,Cc1cc2c(cc1Cl)C1CC1CC(C)C=C2,1,GDB ChEMBL
237975,CCN(CC[NH3+])C1CC(C)C2NC21,0,GDB ChEMBL
98647,[NH3+]C1CCCN=C2NC(=O)C(O)C2C1(O)CO,0,GDB ChEMBL
236016,Cc1ccc2c(C[NH3+])c[nH]c2c1N,0,GDB ChEMBL
33130,COCC12CC(=O)C(C1)C(C)CC2O,0,GDB ChEMBL
119668,Nc1nccc2c1C(=[NH2+])NCC2,0,GDB ChEMBL
103514,Nc1cc(O)c(N)c(Cl)n1,1,GDB ChEMBL
225209,C[NH2+]C1CC(C)(C)CC2CC21CO,0,GDB ChEMBL
203839,CCn1cc2c(n1)C(NC)C(C#N)C2,0,GDB ChEMBL
156745,NC1(COC2CCCC2)CNC(=[NH2+])C1,0,GDB ChEMBL
60650,CC1CC(O)CC(C[NH3+])C1,0,GDB ChEMBL
306011,CCNC(=O)C1(O)CC(=O)C(OC)COC1C,0,GDB ChEMBL
77865,CCc1c(I)ccc(I)c1C1([NH3+])CCC1,0,GDB ChEMBL
181362,CC(=O)C1(O)C[NH2+]C(C)C1,1,GDB ChEMBL
310175,C#CC[NH+]1CCCN2CC3CCC3CC1C2,0,GDB ChEMBL
70783,[NH3+]CC1C2[NH2+]CCCC([NH3+])C12,0,GDB ChEMBL
76493,Cc1c2cc(Br)cc(OC3CC3)c2cn1C,1,GDB ChEMBL
277086,CN1C(=O)C2C3[NH2+]C(C(=O)[O-])C1C32C(N)=[NH2+],0,GDB ChEMBL
367667,COC1C(C)(CO)OC(C)C12CC([NH3+])CC2C,0,GDB ChEMBL
29680,OCC1NC(c2cscn2)=NCC1O,0,GDB ChEMBL
122889,CCCCC1(C)C=CC2(C)CCCC(C)C12,0,GDB ChEMBL
201029,NC(=[NH2+])NC1(CO)CNC2C[NH2+]CC21,0,GDB ChEMBL
173960,CC1CC(C)(C)C2CCC3CC3CCCC12,0,GDB ChEMBL
134757,COC1C(NC(=O)CO)C(O)C1S(N)(=O)=O,0,GDB ChEMBL
62072,CC(CNCC(C[NH3+])N(C)C)C(N)=[NH2+],0,GDB ChEMBL
112485,C#CCC1(CC2CC(C)(C)C[NH2+]2)COC1,0,GDB ChEMBL
135400,CN=C(CC(O)C(=O)OC)OC(C)C,1,GDB ChEMBL
84966,CCC1CC2CCC(OC)CC(C(C)C)C2C1,0,GDB ChEMBL
398929,[NH3+]Cc1ccnc(C[NH3+])c1,0,GDB ChEMBL
68632,C=CC([NH3+])C1COC(C(N)=O)C1O,0,GDB ChEMBL
351153,N#CC(CCC[NH3+])[NH+]=C(N)N,0,GDB ChEMBL
375489,C#CC1CC([NH3+])CCC(C)C(C)OC1CC[NH3+],0,GDB ChEMBL
302612,C#Cc1ccnc([O-])nc1=O,0,GDB ChEMBL
75826,CC1[NH2+]C1CCC(=O)N1CCCC(=NO)C1,0,GDB ChEMBL
112090,CC1CN2C(C[NH2+]1)CC1C([NH3+])C12,0,GDB ChEMBL
151241,CCOC1CC(=O)C(C)CC(C)(C)[NH+](C)C1,0,GDB ChEMBL
76475,CC1C[NH2+]CC2=CC(C1)OC(CC[NH3+])C2,0,GDB ChEMBL
246937,CCC(C)(C)C1=CCC(C(C)CO)CC1,1,GDB ChEMBL
222151,N#CC1CN2CC1(CC(=O)[O-])C1CC12,0,GDB ChEMBL
53314,CCN1C(=O)CCC2(O)C(=O)CC(=O)C12,0,GDB ChEMBL
359139,C=C1C(=CC)NC(=O)NC1C(=O)[O-],0,GDB ChEMBL
309792,CCC(=O)N(CC)C(=N)C(N)=[NH2+],0,GDB ChEMBL
107698,C1CCC[NH+](CC2CCC2)CC1,0,GDB ChEMBL
310800,NC(=[NH2+])CNC(N)=[NH+]C(CO)C(N)=O,0,GDB ChEMBL
274181,CC1(CCS(=O)(=O)[O-])NC1(CO)C(=O)[O-],0,GDB ChEMBL
363210,N#CC1CC2(CC3C[NH2+]CC(N)C3C2)NC1=O,0,GDB ChEMBL
201443,CC(O)CN1C(=O)OC2CCC(CCO)N=C21,0,GDB ChEMBL
305938,CC(C)C1C=CCC(CC(C)(C)C)CC1,1,GDB ChEMBL
300195,C=CC1CC2C[NH2+]CC1(CCC)C2,0,GDB ChEMBL
244465,CN(C)c1scncccc(O)c1C(N)=O,0,GDB ChEMBL
183460,CC1CCCC(O)CC2CC2C1,1,GDB ChEMBL
251070,CC1CCCC(=NO)C(CO)[NH2+]1,0,GDB ChEMBL
210288,C[NH2+]CCC12NC1CNC2=O,0,GDB ChEMBL
355163,CC1C2CC3(CO3)C(C2O)[NH+]1C,0,GDB ChEMBL
127521,C#CCOCCC1(CC)CCC(C(C)[NH3+])[NH2+]C1,0,GDB ChEMBL
248600,CC1CCC(=N)OC(CCO)C1=O,0,GDB ChEMBL
26360,CCOC1CC(O)CC2CC1C(=O)N2C(N)=O,0,GDB ChEMBL
355027,NC(=O)C1C2C(O)C(O)C12,1,GDB ChEMBL
182928,CC#CC(C)(C)C#CC(=O)NC(C)CC,1,GDB ChEMBL
216163,CC1CC(C)(C)C(O)C1[NH3+],0,GDB ChEMBL
64067,CNC(=[NH2+])N1C(N)=[NH+]CC(OC)C12CC2,0,GDB ChEMBL
395639,C#CC(C)C1CC(O)CO1,1,GDB ChEMBL
130342,CC1CC2=CC=CC(CC[NH3+])C=CC=C2C1,0,GDB ChEMBL
92885,CC(O)CC(CNC(N)=O)S(C)(=O)=O,1,GDB ChEMBL
356517,CC1OC(=O)CC(C)(C[NH3+])OC2CC1C2,1,GDB ChEMBL
48065,C#CC1=CC(CC)[NH2+]CCC1C,0,GDB ChEMBL
218800,O=C1CNCC2(COC2)N1,1,GDB ChEMBL
356511,CCCc1cc(F)c2c(c1)CCOC(C)C2[NH3+],0,GDB ChEMBL
296380,N#CC1(N)CC(=O)OCC1N,1,GDB ChEMBL
318737,CCC(C)C1C(O)CC(C2CC2)[NH2+]C1(C)C,0,GDB ChEMBL
206979,CCNC(=O)NC1=NC(C(C)=O)CCC[NH2+]C1,0,GDB ChEMBL
3929,O=C1CCC(CC2NC(=O)N3CC23)O1,0,GDB ChEMBL
89355,CN(C)C1(C#N)C(O)CC2CCC1(O)C[NH2+]2,0,GDB ChEMBL
274417,CCOC1C2CC(CO)CC1C2,0,GDB ChEMBL
252603,Cc1ccnc2c1C(O)C(C)OC(C)C2,0,GDB ChEMBL
70115,Fc1cnc2c(c1)C1CC2C2CCCCCC12,0,GDB ChEMBL
283278,O=C([O-])C12CC1(CS(=O)(=O)[O-])NCCOC2=O,0,GDB ChEMBL
257439,C[NH2+]CCN=C(N)NS(=O)(=O)CC1CC[NH2+]1,0,GDB ChEMBL
70899,CCCC(C)(CC)C(CC)C1CC(C)CC1C,0,GDB ChEMBL
189881,COC(=O)Nc1ncc(O)c(N)n1,1,GDB ChEMBL
370341,CCCC1(C)CC(CC(C)C)CCCC1(C)[NH3+],0,GDB ChEMBL
300133,CCC1C(C)CC2(C3CCC[NH2+]3)CC(C)CC12,0,GDB ChEMBL
386641,CCC1([NH3+])CC(C)C2CC(C1)C(O)C2(C)C,0,GDB ChEMBL
338525,C[NH+]1CC(O)CC1CC1CC[NH2+]1,0,GDB ChEMBL
374155,CC(C)CC1CCN=COCC[NH+]1C,0,GDB ChEMBL
18684,CCC1C(C)C2C(O)CN2C1C[NH2+]C,0,GDB ChEMBL
160015,CC(C[NH2+]C(C)C(C)C=O)CC(F)(F)F,0,GDB ChEMBL
94597,CCNc1nc(=O)nc(NC(C)C)nc1C#N,0,GDB ChEMBL
217164,COCC(C)CC12C3NS(=O)(=O)C(CN1C)C32,0,GDB ChEMBL
321434,CC(C)c1ccc2c(c1)OC1(CCC1)CN2,1,GDB ChEMBL
80253,CCCC1C[NH2+]C(C)(C)C1=O,0,GDB ChEMBL
302464,C[NH2+]CC12C[NH2+]CCN1C(C)CC([NH3+])C2C[NH3+],0,GDB ChEMBL
284765,CC(C)c1c(Br)ccc2c1COCC2C,1,GDB ChEMBL
136451,CC(O)CCN(C=[NH2+])CC(=O)NCC#N,1,GDB ChEMBL
26372,CCCc1cc(C2CC2)c(C)c(Br)c1Br,1,GDB ChEMBL
372551,C#Cc1nc(CC)c(C2CC2)c(Br)c1N,1,GDB ChEMBL
61742,CC1(C)CC2[NH2+]CCOCC=C21,0,GDB ChEMBL
152031,CC1C[NH+](CCCC[NH3+])C2CC12,0,GDB ChEMBL
21724,[NH3+]C1CC(O)CNC1c1cnn[nH]1,0,GDB ChEMBL
195292,CCOC1c2ccc(Cl)c(Cl)c2CN(C)C1C,1,GDB ChEMBL
121706,CC=C1C(C[NH3+])C2NC(=O)C(O)C12,0,GDB ChEMBL
28347,CN1CC(C2CC(=O)C2)OCC1=O,1,GDB ChEMBL
362825,CC(C)C1CN=C(Cn2cnnn2)O1,1,GDB ChEMBL
139844,C[NH+]1CC=CCC2CCCC1CC1CCC21,0,GDB ChEMBL
308248,COCCCCOC(=[NH2+])N1CCC([NH3+])(CO)C1,0,GDB ChEMBL
261473,CC(C)C1C(O)(C#N)C1(C)C(=O)NCC[NH3+],0,GDB ChEMBL
184877,[NH3+]CCC1=CC(O)C(=O)OCC=C1C(=O)[O-],0,GDB ChEMBL
271467,Cc1cccsccnc1,0,GDB ChEMBL
57264,C[NH2+]CC(N)COC(=N)OC,0,GDB ChEMBL
255971,Nc1c(C=O)ccn(CCO)c1=O,1,GDB ChEMBL
353984,CC[NH2+]CC(NC=O)C(CNC=O)C(O)C[NH3+],0,GDB ChEMBL
59702,CC1C#CCC([NH3+])CN=C(N)OC1CO,0,GDB ChEMBL
8779,COCC1([NH3+])CC(C)C(NC(C)=O)C1,0,GDB ChEMBL
153203,CC(C)C1CC=CC[NH+]1C1CC1(C)C,0,GDB ChEMBL
80243,CCOC(=O)C12CC1C(OC)=NC(C)(C)C2,0,GDB ChEMBL
289996,CC(O)CC(=NCCC#N)NC(N)=O,0,GDB ChEMBL
50105,NC(N)=[NH+]C1CNCC([NH+]=C(N)N)C1O,0,GDB ChEMBL
361163,CC(C)CCCC#CC(C)CC(C)C[NH3+],0,GDB ChEMBL
316310,Cc1c(C2CC2)c[nH]c1CC#N,1,GDB ChEMBL
103871,CC[NH2+]CC(=O)NC1CC[NH2+]C(CC=O)CC1,0,GDB ChEMBL
242991,CC(=O)NC1(C)CC2OC2C(O)C1C=O,0,GDB ChEMBL
274365,CCOCc1cscc1C(C)OC,1,GDB ChEMBL
310126,CC1C[NH2+]CCC2=CC(CC(O)C=C2)C1,0,GDB ChEMBL
170235,C[NH2+]C(CC(=O)[O-])C(C#N)C(=O)CCO,1,GDB ChEMBL
313736,Cc1nn(C)c([O-])c1C(O)C(N)=O,0,GDB ChEMBL
247341,C#CC1C2[NH2+]CC(C)C1C(CC[NH3+])COC2C,0,GDB ChEMBL
236639,CCC1OC(=O)C2=CNC(C=O)C21,0,GDB ChEMBL
121969,CN1CC([NH2+]CCO)C2CC3OCC([NH3+])C3C21,0,GDB ChEMBL
387204,CCOCC1C(CCNC=O)NS1(=O)=O,0,GDB ChEMBL
77330,CC(C)OCC1(CO)CC2CC=CC1C2,0,GDB ChEMBL
48157,CC1COCC2(C)CCN(C)C(C)C2[NH2+]1,0,GDB ChEMBL
29689,[NH3+]C12CCC1S(=O)(=O)NC2C(=O)[O-],0,GDB ChEMBL
285118,CC(C)C1C=CCc2ccnc(c2)CCC1,1,GDB ChEMBL
317330,CCCOCC1CCN(CC#N)C=NC1C#N,0,GDB ChEMBL
127012,CCCCC([NH3+])C1CN1,0,GDB ChEMBL
221914,CC(=O)OCC(=O)Nc1cc(=[NH2+])[nH]c(N)c1N,0,GDB ChEMBL
358546,CCC1C(=O)CNC(C)CN(C)C1C(=O)NC,0,GDB ChEMBL
288911,CN(CCC1CO1)S(=O)(=O)CC#N,1,GDB ChEMBL
238572,CC[NH+]=C(N)CC1C2[NH2+]CCC2OC1C(C)C,0,GDB ChEMBL
221106,CCC(C1CN1)[NH+]1CCC1,0,GDB ChEMBL
352180,CC(C)=CCC1CCC2CCC2C1,1,GDB ChEMBL
238191,CC1CCC2(CCC(C)C2c2cncnc2)C1,0,GDB ChEMBL
338583,CCCC1CC(C)(CC(C)CC)C2(CC2)C1,1,GDB ChEMBL
203586,COC(=O)C(C)(C(=O)[O-])C(=O)NCC(N)=O,0,GDB ChEMBL
170394,C[NH2+]C1CC(C(C)=O)(C(=O)CC(N)=O)C1,0,GDB ChEMBL
120689,C[NH2+]Cc1cc(Cl)c(C)c(O)c1C,0,GDB ChEMBL
132710,O=C1NCC(C#CC2CC2)(C(=O)[O-])N1,0,GDB ChEMBL
203201,CCNC12CC([NH3+])C(C)CC1C2C#N,0,GDB ChEMBL
148491,CN1C(=O)C2(C(=O)[O-])OC(CC(=O)[O-])C1C2[NH3+],0,GDB ChEMBL
233932,CC1N=C(N)NC(=O)C2C1N2S(C)(=O)=O,0,GDB ChEMBL
379859,CC1CC2(O)CC(C#N)C1C2,1,GDB ChEMBL
28967,CN(C)CC1CC(Cc2nccs2)[NH2+]1,0,GDB ChEMBL
6008,COC1C2C3C2S(=O)(=O)NCC1N3C,0,GDB ChEMBL
76689,C[NH2+]Cc1[nH]nc2c(F)nccc12,0,GDB ChEMBL
186657,CC[NH+](C)CC#CC1(CC)COC1,0,GDB ChEMBL
382098,C#CC(C#N)CN1C(C)C1C1CCC[NH+]1C,0,GDB ChEMBL
394868,COC(C=O)(CO)CNS(C)(=O)=O,1,GDB ChEMBL
315177,C#Cc1cn(C)c(O)c1N(C)CC(CC)[NH2+]C,0,GDB ChEMBL
51829,CC[NH2+]CCC1C(C)C(OS(N)(=O)=O)C1[NH3+],0,GDB ChEMBL
214754,Oc1cc2[nH]ncc2c2c1NC1CC=CC21,0,GDB ChEMBL
197198,CCC(O)(CNC(C)=O)CC1C=CCC1,1,GDB ChEMBL
103935,OC1C=CCC12CCCCCCCC2,1,GDB ChEMBL
1947,CCCCCOCC#CC[NH2+]CC,0,GDB ChEMBL
99790,NS(=O)(=O)CC12NC(=O)NCC1C2O,0,GDB ChEMBL
112539,C=CC[NH+]1CC(C#CC)(CC[NH3+])C1,0,GDB ChEMBL
228868,Cc1nccc2c1C=CCCCC=C2,1,GDB ChEMBL
17297,N#CC1(C#N)CC(N)C([NH3+])C(=O)[N-]1,0,GDB ChEMBL
344375,CC[NH2+]CCC1(CC)C(CO)N1C(N)=[NH2+],0,GDB ChEMBL
300113,CN1C(=O)NC2C(CC2c2ncon2)C1=O,0,GDB ChEMBL
93442,CCOC(=O)C1CC2CC21O,1,GDB ChEMBL
77355,COC1OCC(n2cccn2)C1C,0,GDB ChEMBL
174056,CCC1C(C(F)(F)F)C1([NH3+])CO,1,GDB ChEMBL
297046,COC1(C)CCC(C(N)C#N)CC1O,0,GDB ChEMBL
169423,CN(CC(C)(C)C(F)(F)F)C(C=O)C=O,1,GDB ChEMBL
296336,COC(=O)CC1C2NS(=O)(=O)C(C(N)=O)C12,0,GDB ChEMBL
372750,C#CCC(c1ccccc1F)C(C)C,1,GDB ChEMBL
382520,CN=C(OCCO)N1CC(O)CC(C)C(O)C1,0,GDB ChEMBL
188477,Cc1cc(C2([NH3+])CC(O)C2)c(C#N)c(Cl)n1,0,GDB ChEMBL
313701,CCOC1(CC#N)C(N)C=CC1[NH3+],0,GDB ChEMBL
80285,CC(O)CC(=O)C1=CNCCCC[NH2+]CC1,0,GDB ChEMBL
259135,NC(=O)C1CN2C(=O)NCC12,0,GDB ChEMBL
193246,CCC1(NC(C)=O)CNC(=O)C1(C[NH3+])C(N)=O,0,GDB ChEMBL
352222,CC1[NH2+]C(CN)C2(CO)NS(=O)(=O)CC12,0,GDB ChEMBL
99648,N#CC(C#CC#CCCO)NC(N)=[NH2+],0,GDB ChEMBL
383696,CCC1C(CC[NH2+]C)=CC=CC(O)C2CC12,0,GDB ChEMBL
304068,CC12C[NH2+]CCCC1(O)COC2C(=O)[O-],0,GDB ChEMBL
386427,CCCC(C)OCC(C)[NH2+]CC1([NH3+])CCC1,0,GDB ChEMBL
227284,CC1C[NH2+]C2(CC2)C1C1CC(C)(C)C(=O)N1,0,GDB ChEMBL
6039,CCOC1C(C)CC(C)CC1O,1,GDB ChEMBL
83117,C=CC1(CC)CCC(C)C(C)OC1,0,GDB ChEMBL
100728,C#CCc1cncncc(C)c(O)c(N)c1,0,GDB ChEMBL
255542,CCCC1CC2C(C)C(C)CC(C)(C1)C2CC,0,GDB ChEMBL
62085,CN1C(=O)NC2C3CC1C2C[NH2+]3,0,GDB ChEMBL
25229,CCCCC1(C(C)C)CCC(CCC)CC1C,0,GDB ChEMBL
239149,Cc1nc(C#CC2CC(O)CCO2)no1,1,GDB ChEMBL
332426,CCC12CC=CC(CCC(C)C)[NH2+]C(C1)C2,0,GDB ChEMBL
294202,CCC([NH2+]C)c1cc(=O)scc1OC,0,GDB ChEMBL
311371,CCNC(C#N)C(=O)[N-]CC=O,0,GDB ChEMBL
334575,CC(=O)N1C(=O)CC(=NO)C(C=O)N=C1N,0,GDB ChEMBL
109542,O=C1CN=C2CC(O)C3(CCCN12)CCOC3,0,GDB ChEMBL
186009,C#CC1CC(C)COCCC1C[NH2+]C,0,GDB ChEMBL
317971,CC(C)N1C=CC(=O)C1(C#N)CCC(=O)[O-],0,GDB ChEMBL
238560,COCC(C)C1(CO)Cc2cncc(Cl)c2O1,0,GDB ChEMBL
331204,CC1COC(=O)C(C(C)NS(C)(=O)=O)C1[NH3+],0,GDB ChEMBL
62785,CC1=CC2CC(O)C(C2)[NH2+]C1,0,GDB ChEMBL
12825,CCc1nn(C)cc1C[NH2+]C,0,GDB ChEMBL
185990,COC1=NC(C)C(OC)C[NH+](C)C1,0,GDB ChEMBL
156545,C#CCOc1cc(C)c(Br)cc1C#C,1,GDB ChEMBL
132475,CCN=C1NC(CC=O)CO1,1,GDB ChEMBL
127269,CCC1(C(N)=O)CN(c2cnsn2)C1,1,GDB ChEMBL
84877,CCC1OC1C(C)(C)N(C)CC#N,1,GDB ChEMBL
111592,NC(N)=[NH+]C1C[NH2+]C2C(O)C(C(=O)[O-])[NH2+]CC12,0,GDB ChEMBL
337431,CCCC1(CC)CCCCCC(CC)C1(C)C,0,GDB ChEMBL
207286,CCCCCCC1CCC(C)CCC(C)CC1,0,GDB ChEMBL
386475,C#CCOC(C)CNC(CC#N)CC(N)=[NH2+],0,GDB ChEMBL
120356,[NH3+]CCC1NC(=O)C2C(CO)C12CO,0,GDB ChEMBL
350714,CC(C)C(C)[NH2+]C1CC1O,0,GDB ChEMBL
118486,COC(=O)N1CC(c2ccc(C=O)cn2)C1,1,GDB ChEMBL
51089,C1CC1CC[NH+]1CC2CCC2C1,0,GDB ChEMBL
304094,NC(=O)C(C[NH3+])C(O)C1COC(CO)C1O,0,GDB ChEMBL
385383,C[NH+]=C(N)N(C)CCNC(=O)C(N)=O,0,GDB ChEMBL
194521,CC1CC(CC(=O)[O-])C(C)OC1=N,1,GDB ChEMBL
232100,CC(C)C(O)C(C)CC(C)(C)C[NH+](C)C,0,GDB ChEMBL
44557,CCCC1CC(CCC)[NH+]2CCCC2(CC)C1,0,GDB ChEMBL
161944,C[NH+]1CCC(O)CNC2CC21CO,0,GDB ChEMBL
338357,Cc1scnc1CCNc1ncc(N)nc1O,1,GDB ChEMBL
398185,N#CCC1C(O)C(C[NH3+])CCC12CCCC2,0,GDB ChEMBL
77510,CC12CC3(CN1C(C#N)CC3O)C2,0,GDB ChEMBL
11684,C[NH2+]C1(CO)CNC(=O)C1N,0,GDB ChEMBL
64088,CCCN1CCc2c(F)ccc(C)c21,1,GDB ChEMBL
34337,CCC(C)(C)CCCO,1,GDB ChEMBL
236023,CCOCc1cc(C)cc(Br)c1C1CCC1,1,GDB ChEMBL
323988,COC(=O)Nc1c([N+](=O)[O-])csc1OC,0,GDB ChEMBL
284831,COC(=O)NC1C2C([NH3+])CC(OC)C12[NH3+],0,GDB ChEMBL
262272,C=C1CC2CC1C(CCO)C21CC1,1,GDB ChEMBL
41610,O=CCCS(=O)(=O)N1CC1C(=O)[O-],0,GDB ChEMBL
174707,C#CC(CCCC)c1ccc(C)cc1CCC,1,GDB ChEMBL
130614,C#CC([NH3+])CC(O)(C#N)C(C)(OC)C(=O)NC,0,GDB ChEMBL
283942,CCc1c(Cl)ccc2c1C1C3CC(C)C2C31,0,GDB ChEMBL
104590,CC1=CCCOC(C)CCC1O,0,GDB ChEMBL
355180,CC[NH+]1C(CC2CC2C)CC2CC21,0,GDB ChEMBL
276067,Nc1noc(CCCCCC(=[NH2+])NCC=O)n1,1,GDB ChEMBL
256146,CC(C)CCCCC1CC2(C)CCC1C2,1,GDB ChEMBL
51370,CC1C=CCC2CC(C)(C)CC2CCC1,0,GDB ChEMBL
119823,C[NH2+]CC(O)(C#N)CC(C)[NH3+],0,GDB ChEMBL
276070,C=CC1C(C)[NH2+]CC2C(CC[NH3+])C12,0,GDB ChEMBL
270062,CCC1=CCCC=C(C)CC(C)(C)C1CC,0,GDB ChEMBL
305980,CC1C2OCCOC1(C)C1CC[NH+](C)CC2C1,0,GDB ChEMBL
204695,CC1CC(O)C=CC(C=O)(CCO)CO1,0,GDB ChEMBL
71697,C[NH2+]C1CN=C(N)C1(O)CN(C(N)=O)C(N)=O,0,GDB ChEMBL
274648,CCCS(=O)(=O)N1C2CCOC2C1C(N)=[NH2+],0,GDB ChEMBL
196759,OCc1c(O)ncc2ncncoccc12,0,GDB ChEMBL
12780,NC(=O)c1cc(C#CC[NH3+])nc(F)n1,0,GDB ChEMBL
81037,CCC(O)c1nnc(NCC(O)CO)s1,1,GDB ChEMBL
221406,C=CCC1(C)C(CC)C1CCCC,0,GDB ChEMBL
398954,CC1C[NH2+]C2C(C)C3CCC=CCCC3C12,0,GDB ChEMBL
218314,CCC1CCC2C=CCC1C2(C)CC,0,GDB ChEMBL
230514,CCC([NH3+])(CC)CN(C)CC[NH2+]CC(=O)[O-],0,GDB ChEMBL
122728,CC#CC(C)(N)C1CCC(=O)OCC(=[NH2+])N1,0,GDB ChEMBL
186556,CCC1CC(=O)NC1C(C)[NH+]=C(C)N,0,GDB ChEMBL
153691,CC(C)CCOC1CCC(C)(C#N)C1=O,1,GDB ChEMBL
299963,COC(C)C(C)[NH2+]C1C=CC(O)C1C,0,GDB ChEMBL
304848,CC1C[NH+]2CCCC3(C)C2C13O,0,GDB ChEMBL
54816,CC#CC(C)NC(C[NH2+]C)C1CC1C,0,GDB ChEMBL
155190,CCC[NH+]=C(N)C1OCCC1O,0,GDB ChEMBL
225019,CC(=O)c1c(C(C)(C)O)ncc(C)c1C,1,GDB ChEMBL
206957,CCC1NCC([NH3+])C2COC1O2,1,GDB ChEMBL
262321,O=C1C=CCCC[NH2+]C2(CC1)COC2,0,GDB ChEMBL
362619,CC1C=C(CO)CC([NH3+])C1,0,GDB ChEMBL
140399,NC(=O)C([NH3+])(CCO)CC1(O)C(O)C1O,0,GDB ChEMBL
300177,C#CCC(C)[NH2+]Cc1c(C)cc(C)c(C)c1Br,0,GDB ChEMBL
292270,CCCCC(NC(=O)CC[NH3+])c1[nH]ccc1C,0,GDB ChEMBL
191341,CC=C1C=CCCCC(=O)OCC1,1,GDB ChEMBL
33288,CCCC([NH3+])CCC(C)[NH3+],0,GDB ChEMBL
61780,CC1NS(=O)(=O)C=CN(C(=O)CN)C1=O,1,GDB ChEMBL
350689,C#CCc1coc(C)nc(O)cc2[nH]ncc12,0,GDB ChEMBL
117410,CC(C)[NH2+]CCOC(C=O)C=O,0,GDB ChEMBL
83022,CC1CCC2OCCCC2C2C[NH+]2C1,0,GDB ChEMBL
31026,C#CC1(NC)C(C#N)C2CCCCN2C1CO,0,GDB ChEMBL
258224,CC1OCC2C(CC#N)CCCC[NH2+]C12C=O,0,GDB ChEMBL
10958,CC(=O)OCC1CC1(O)CC(N)=[NH2+],0,GDB ChEMBL
227306,O=C1OCC2CCNC(=O)C(C[NH2+]2)O1,0,GDB ChEMBL
203830,CC12CC3COCC([NH2+]1)C(C3)C2,0,GDB ChEMBL
169433,CC1C([NH2+]CC(=O)[O-])C1OS(N)(=O)=O,1,GDB ChEMBL
60968,CC1(CS(N)(=O)=O)C2NCCOC(=O)C21,0,GDB ChEMBL
368440,CCOc1cnoc(=O)c1,0,GDB ChEMBL
389105,CC(=O)CC(=O)NC(=O)C1CN1C=O,1,GDB ChEMBL
99445,C[NH2+]CCCN(C)C1COC1=N,0,GDB ChEMBL
317542,CCC1CC2OC(=O)C2C1CO,0,GDB ChEMBL
305979,CC1[NH2+]CCC(=O)CN(C)C1C=O,0,GDB ChEMBL
11270,C[NH2+]CC1(O)C=CCC1O,0,GDB ChEMBL
215828,CCC[NH2+]CC1CCC1(C)C[NH3+],0,GDB ChEMBL
179186,CCc1ccnc2c1C=CCN2CC(C)C,1,GDB ChEMBL
172748,C#Cc1ccc2occc2c1Br,1,GDB ChEMBL
40264,COC(=O)C(C)C1C=CCC2([NH3+])CC12,0,GDB ChEMBL
136098,CCC1CC2([NH3+])CC([NH3+])CC(C)[NH2+]C1C2,0,GDB ChEMBL
68642,C#Cc1ccc(C(CCC)C2CCC2)cc1,1,GDB ChEMBL
251930,CN=C(OC(=O)CCNCC(C)[NH3+])C(=O)[O-],0,GDB ChEMBL
26052,C#CC1CCCC(C)(O)C1O,1,GDB ChEMBL
263165,COC(CNC(=O)CO)C(N)=[NH2+],0,GDB ChEMBL
10622,N#CCC1NC(=[NH2+])C(O)C1C(=O)[O-],0,GDB ChEMBL
149364,CC1N(C)C(=O)C(O)CS1(=O)=O,0,GDB ChEMBL
275634,N#CC(=O)S(=O)(=O)[N-]CCCC(N)=O,0,GDB ChEMBL
346509,CCC1C(O)CC(=[NH2+])N1CC(C)NC(C)C#N,0,GDB ChEMBL
142535,C#CC1(C#C)CCCCC(C)C1CC(F)(F)F,0,GDB ChEMBL
81435,N#CC1CN(C(C=O)CO)CC1=NO,1,GDB ChEMBL
306384,NC1C(=O)NC2C(CC[NH3+])OC(=O)C12N,0,GDB ChEMBL
83120,CC1c2c(Cl)cc(CO)cc2NC1(C)C,0,GDB ChEMBL
114749,CC(C)C1C=CCC12CCC(C)(C)CC2,0,GDB ChEMBL
35455,CC#Cc1ccc(Br)c(C(C)[NH3+])c1,0,GDB ChEMBL
190845,C#CC1COC(C)CN1C(=O)CC[NH3+],0,GDB ChEMBL
99145,CCOCCN1C(=O)CC2C(OC)C21,0,GDB ChEMBL
378295,CC1=CC(O)C2(C[NH3+])CC(C1)NC2C#N,0,GDB ChEMBL
98848,NC1CC(NC=O)CC2[NH2+]CC(OC1=O)C2O,0,GDB ChEMBL
169396,CNC(=O)CC1C[NH2+]CCC1C,1,GDB ChEMBL
299212,Nc1occ(NC2CC2)c1OC1CCOC1,1,GDB ChEMBL
63134,CCc1ccnc(N)c1C#N,1,GDB ChEMBL
23631,CCC1(C2CN2)CS(=O)(=O)[N-]C1=O,0,GDB ChEMBL
89652,COC1(C)C([NH3+])C2CCC1[NH+](C)CC2C,0,GDB ChEMBL
107820,CC#CC(O)C([N-]S(=O)(=O)CC#N)C(N)=O,0,GDB ChEMBL
191321,CCC[NH2+]CC1C2C3CC(C3O)C12,0,GDB ChEMBL
47793,CC=C(CC(C)C)N(C=O)C(N)=O,0,GDB ChEMBL
281798,NC(=O)N1C(=O)OC2C(C=NO)CC1C2O,1,GDB ChEMBL
331149,Cc1cnc(=[NH2+])n(CC(=O)[O-])c1C(C)O,1,GDB ChEMBL
2982,C[NH2+]C1CC2C(C1)N2C(C)C,0,GDB ChEMBL
228375,N=C1NC2(CO)COC2C(=O)N1CC(=O)[O-],0,GDB ChEMBL
255351,CCOC12CCC(C1)C(C)C2C(C)CC,0,GDB ChEMBL
383817,C#CC1(CCC)CC(C)C(C(C)CCCC)C1,0,GDB ChEMBL
8795,CCCC=CC(O)C1[NH2+]CC1C[NH3+],0,GDB ChEMBL
149391,CC1(C#N)CCC(C(CC[NH3+])OC(N)=O)CN1,0,GDB ChEMBL
208548,C#CCC(C)(CCCC)[NH2+]CC(N)C[NH2+]C,0,GDB ChEMBL
259621,CC1=CC(C)([NH3+])C(C)CC1O,0,GDB ChEMBL
17038,CC1C(=O)CC2COCC1(C)C2,0,GDB ChEMBL
398891,NC(=[NH2+])C12OC(=O)NC1C(=O)OC2CO,0,GDB ChEMBL
40333,CCC1CC2[NH2+]CC(C(C)CC)(COC2C)C1,0,GDB ChEMBL
271068,Cc1nc(C[NH3+])c2cccc(C)c2c1F,0,GDB ChEMBL
356553,CC(C)C1CC2CCCCC2C(C)CC1C,1,GDB ChEMBL
20789,C#CC(C(C)C)C1(C)CCCCC2CC21,0,GDB ChEMBL
146058,CCC(OC)C([NH3+])C(O)CC[NH3+],0,GDB ChEMBL
240037,CC(N=COCC[NH+](C)C)C(C#N)CO,0,GDB ChEMBL
254988,C#CCCC1(C)C=CC[NH2+]CC1,0,GDB ChEMBL
370351,Nc1nc(O)nc(CCC(=O)[O-])n1,0,GDB ChEMBL
374174,CCC1C#Cc2ccc(cc2C)C=CCC1,1,GDB ChEMBL
148945,CCC1C2CC(C)C(C2=O)C1[NH+](C)C,0,GDB ChEMBL
42225,NC(=[NH2+])C(CC[NH3+])NC(N)=O,0,GDB ChEMBL
308662,O=S1(=O)[N-]C(C(O)C[NH+]2CCCC2)C1O,0,GDB ChEMBL
292557,N=C(OCC(N)=O)OCC1CC[NH2+]1,0,GDB ChEMBL
306275,CCCC12CC(C(CC)C1CC)[NH+]1CCC2C1,0,GDB ChEMBL
376660,N#Cc1ncc(CO)cc1F,1,GDB ChEMBL
378584,OC1C2CC3C(C[NH2+]CC13)O2,0,GDB ChEMBL
139845,N#CCC(CO)n1ccnn1,1,GDB ChEMBL
157110,CCC(C)[NH2+]CC1CCC2C(C)C2(C)C1,0,GDB ChEMBL
328860,CC[NH2+]C1CCC(C(C)C)C1(C)C[NH3+],0,GDB ChEMBL
338250,C#CCCC[NH2+]CC(N)=O,1,GDB ChEMBL
261204,CC(=O)OC1C2CS(=O)(=O)CC2C2OC12,1,GDB ChEMBL
296339,CC1CNC(CN2C(=O)C(C)(C)CC2C[NH3+])=[NH+]1,0,GDB ChEMBL
292923,C[NH2+]C12CC1C(O)C([NH3+])CC2C,0,GDB ChEMBL
26879,CC1CCNC(=O)CC2[NH+](C)C12C,0,GDB ChEMBL
189887,NC(=O)C1CNC2C([NH3+])C2C1,0,GDB ChEMBL
110200,CC1=CC(C)C[NH+](C2CC2)C1,0,GDB ChEMBL
217348,CCC[NH2+]C1CCCC=C(CCN2CC2)C1,0,GDB ChEMBL
103412,Nc1nc(N)c2nsnc2n1,1,GDB ChEMBL
70821,C[NH2+]C1CNCC(C)C(O)COCCC(C)C1,0,GDB ChEMBL
176468,[NH3+]CCOCC(O)C(=O)[O-],0,GDB ChEMBL
45092,CCCC1CCCC2CCCC12[NH2+]C,0,GDB ChEMBL
9695,CC(C)(COC1CC1)C1CCCCC1,1,GDB ChEMBL
34999,CCCC(C)(C)C(C)C1CC1,1,GDB ChEMBL
251457,C=CC1C2C3C[NH+](C)C1CC(C)C32,0,GDB ChEMBL
305103,CCC[NH+]1CC2(OC(N)=O)CC1C1OC12,0,GDB ChEMBL
177329,CC1CCC2(C)C(=CCC(C)C2C#N)C1,1,GDB ChEMBL
171840,CNC(=O)CC(OS(N)(=O)=O)C(N)=O,1,GDB ChEMBL
53694,CCC1(O)CCN(c2cc[nH]n2)CC1,1,GDB ChEMBL
201484,CC1CCCC(C#N)C2CC=CCC12,0,GDB ChEMBL
204559,CC1(COC2CC2)CNC(=O)N1,1,GDB ChEMBL
21563,CC(OC(C(C#N)CO)S(=O)(=O)[O-])C(N)=O,0,GDB ChEMBL
200551,CCCC(C)C1CC1C(C)[NH3+],0,GDB ChEMBL
80310,CC([NH3+])C1CCN2C(C#N)C2C1,0,GDB ChEMBL
372173,C#CC1(O)CC(C)(O)C(O)C1NS(C)(=O)=O,0,GDB ChEMBL
143829,C[NH2+]C1C(C)C(O)C2C(=O)OCC1(O)CC2C,0,GDB ChEMBL
190269,O=C([O-])CNC(=O)Cn1nnnn1,0,GDB ChEMBL
29491,[NH3+]CCC1CC1CC([NH3+])C1CO1,0,GDB ChEMBL
383979,CCC(CC(N)=O)C1C(O)C1S(=O)(=O)[O-],0,GDB ChEMBL
269352,CC(O)C1N2C(=O)NCC12C(N)=[NH2+],0,GDB ChEMBL
148550,C#CC1(CO)CC(=O)N1CC(=O)OCC,0,GDB ChEMBL
77022,CC1(C)C2CCC3=CC(O)CC3C21,0,GDB ChEMBL
281830,C#CC#Cc1ncc(OC)cc1C#CCC,1,GDB ChEMBL
209447,Nc1c(OCC[NH3+])c(F)nc2ncnn12,0,GDB ChEMBL
98604,CCCC1CC2CCCCCC1C2C,0,GDB ChEMBL
202806,CCCCCC1(CCCC)C(C)CCC1CC,0,GDB ChEMBL
389384,CC1(CO)CCOCC1C#N,1,GDB ChEMBL
330342,CC1CC(=O)NC(=O)NC1C,1,GDB ChEMBL
31393,CC[NH2+]CC(O)(COCC)C(=N)OCCCO,0,GDB ChEMBL
3950,CC1OC(CO)C2CC2C1C,0,GDB ChEMBL
97113,CC1=CC(C(C)C)CC2CCCC2C1,0,GDB ChEMBL
182900,CC1OC(C([NH3+])COC(N)=O)C(O)C1[NH3+],0,GDB ChEMBL
132561,COCC1C(C)(O)C12CCC[NH2+]2,0,GDB ChEMBL
162946,CC1=CC(C#N)CC(CC(C)[NH3+])CC1O,0,GDB ChEMBL
398171,C[NH2+]CC1CC2C(C)N2C1=O,0,GDB ChEMBL
205777,C[NH+](C)CC(CO)CNCC(=O)C1CC1,0,GDB ChEMBL
266272,CC1CC1C1OC(=O)C(O)C1[NH3+],0,GDB ChEMBL
37181,CC(C)C1CC(O)CC([NH3+])CCC12CC2,0,GDB ChEMBL
174235,C#CC(C)([NH3+])C(C)CC1COCCC(CC)C1,0,GDB ChEMBL
304124,CCCc1cn(CC[NH3+])nc(C(=[NH2+])NC)c1=O,0,GDB ChEMBL
131919,COC(=O)NC(C)C1COC1S(N)(=O)=O,0,GDB ChEMBL
70304,CC(C[NH3+])NC(=O)CC1(C)OCC2CC21C,0,GDB ChEMBL
127044,C#CC(C)(C#C)CC(CC)(CC)CCCCC,1,GDB ChEMBL
345800,CC1(O)CN(C(=O)CO)CC(NC=O)C1O,0,GDB ChEMBL
99449,[NH3+]C1CCOC2CC3CC12NC3=O,0,GDB ChEMBL
31090,N#CCNC1C[NH2+]CC1O,0,GDB ChEMBL
281639,COCC(C#N)(N(C)C)C1(OS(N)(=O)=O)CC1,0,GDB ChEMBL
180847,C#Cc1nc2c(cc1Cl)C(=NC)OCC2,1,GDB ChEMBL
385501,CC1CCC(C)(COC(C)(C)C(C)C)CC1O,1,GDB ChEMBL
67400,CC1(CCO)OCCC1[NH3+],0,GDB ChEMBL
34910,CCOC(=O)N1C2CC1C(O)C2O,1,GDB ChEMBL
294785,CC1COC2C(O)(C1)C2(CS(N)(=O)=O)C(N)=[NH2+],0,GDB ChEMBL
124199,CC(N)C(C#N)OC(=O)CN,1,GDB ChEMBL
156169,NC(=O)C1COS(=O)(=O)NC1CC[NH3+],1,GDB ChEMBL
180788,CCC1(CO)CCC2(CC2)OC(=O)C1,1,GDB ChEMBL
311625,CCCC(O)C1C2COCC([NH3+])CN21,0,GDB ChEMBL
346845,CC[NH+]=C1NC2COCCCC(=CC1C)C2,0,GDB ChEMBL
233890,CC1=CC2C[NH2+]C3CCOC1C3C2,0,GDB ChEMBL
305203,CC1C=C(c2c(F)ccc(F)c2F)C2CN12,0,GDB ChEMBL
126649,CNc1nc(Cl)ncc1CC(N)C[NH3+],0,GDB ChEMBL
118868,CC1C=CCCC(C)(C)CC2CC(C2)[NH+]1C,0,GDB ChEMBL
232122,[NH3+]C1C(C(=O)[O-])NC2COC(=O)C21,0,GDB ChEMBL
330050,CC(C)C1CC2(COC2)N2CC12,0,GDB ChEMBL
380312,CCC(C)C(CC)C1C=CCC=CC1,0,GDB ChEMBL
271311,CCC1=CCOC(=O)C#CCN(C)CC1,1,GDB ChEMBL
233439,CC[NH+]1CC=CC(C)=CC(=O)CC1,0,GDB ChEMBL
299999,CC1COC(C(O)CS(=O)(=O)[O-])C1[NH3+],0,GDB ChEMBL
334343,C#CC(CC1COCO1)[NH2+]C,0,GDB ChEMBL
161919,CN1C(=O)COC(=O)Cn2ccc([N+](=O)[O-])c21,1,GDB ChEMBL
140819,N#CCCOC1C2CCC[NH2+]C1C2O,0,GDB ChEMBL
337999,C#CCc1c(C)c(F)c2c(C)cccc2c1F,1,GDB ChEMBL
201059,COCc1cc(Cl)c2c(C(C)C)cnn2c1,1,GDB ChEMBL
316166,CCCOC1(C)C=C(CO)CC[NH2+]C1,0,GDB ChEMBL
265272,CNc1cc(I)c(C)c2c(C)n[nH]c12,1,GDB ChEMBL
361140,CNC(C[NH+](C)C)C(=N)OS(N)(=O)=O,0,GDB ChEMBL
1460,CC[NH2+]C1COC(C)CC1[NH+]=C(C)N,0,GDB ChEMBL
266466,Cc1c(Br)ncc(OCCNC=O)c1Br,1,GDB ChEMBL
177886,[NH3+]C1CC([NH3+])C(O)(C([NH3+])C(=O)[O-])C1NCCO,0,GDB ChEMBL
350960,CNc1ncoc(=NCCCO)c1C(C)(C)C,0,GDB ChEMBL
167347,CCN=C1OCC1C(C)OC,0,GDB ChEMBL
376012,CCC1C(c2ccccc2C)N1C(C)C#N,1,GDB ChEMBL
266204,Cc1c(N)c(O)c(C(C)[NH3+])c2occ(C[NH3+])c12,0,GDB ChEMBL
222924,NC(=O)C(C(=O)NC=O)C(O)CO,0,GDB ChEMBL
381467,CC(C)C(=O)C(O)C1(C(=O)[O-])NC1C(N)=O,0,GDB ChEMBL
305474,OCCc1ccc(Br)c2c1CCC=C2,1,GDB ChEMBL
204600,NC(=O)N1CC(O)C(CO)C(=NO)C1=O,0,GDB ChEMBL
252754,Cc1cc2c(C)c(Br)c1CCC(C)CCCC2,1,GDB ChEMBL
191678,NC=Nc1cc(O)c(S(N)(=O)=O)cn1,1,GDB ChEMBL
113491,C#CCOCC(C)c1ccc(F)cc1F,1,GDB ChEMBL
276328,CC1(COCC(N)=O)C(O)C1CO,0,GDB ChEMBL
222770,CNCC(C[NH2+]C)N=c1cc(N)[nH+]ccc1C,0,GDB ChEMBL
12788,NS(=O)(=O)CCCC(=O)c1ccns1,1,GDB ChEMBL
358425,N=C1NC(=O)C(C(N)=[NH2+])N1C1COC1,0,GDB ChEMBL
155171,CC(C(=O)[O-])N1C(=O)C(O)C2(O)C([NH3+])C12,0,GDB ChEMBL
55531,CC(NC(N)=[NH2+])c1nnnn1CC1CN1,0,GDB ChEMBL
125691,CCOC(C(C)C)C1CC(=O)CCC(C)(C)C1,0,GDB ChEMBL
171286,CCc1ccc(C(=O)c2ncccc2F)o1,1,GDB ChEMBL
84472,CCC(OC(C)C)C1[NH2+]C(C)CC2CC21,0,GDB ChEMBL
153335,CC#CCc1ccncc[nH]c(C)c1,0,GDB ChEMBL
242967,NC(=O)C1NCC[NH+]=CNC1Cn1cncn1,0,GDB ChEMBL
261443,COc1c(O)c(N)nc(O)c1O,0,GDB ChEMBL
9790,O=C([O-])COCC(O)C(O)c1ncon1,1,GDB ChEMBL
389406,CC(C)COCC(C)CCc1nccc(Br)n1,1,GDB ChEMBL
316129,CCC1C(=O)C2CC(C)CC(O2)C1CCC#N,0,GDB ChEMBL
347870,CC(C#N)N(C=O)C(C(N)=[NH2+])C(C)(C)O,0,GDB ChEMBL
244631,C#CC(CC(=O)[O-])CC1CN1C,0,GDB ChEMBL
115925,CC(=O)C1C#CCC(C(=O)[O-])C2C[NH+](C1)C2,0,GDB ChEMBL
304300,CC#CC(C(CCC#N)=NO)c1ccsc1,0,GDB ChEMBL
141799,C#CCC1(C)CC2(CCC(O)C2C)OC1=O,0,GDB ChEMBL
338903,CC(C)CC12OC(CO)C(O)C1(N)C2[NH3+],0,GDB ChEMBL
77556,CC1(CC(=O)NC23CCN(C2)C3)CC=CC1,0,GDB ChEMBL
190230,COC(=O)C=CC1NS(=O)(=O)CC1O,1,GDB ChEMBL
5261,O=C1C(O)C2CNCCN12,1,GDB ChEMBL
391465,NC(=O)N1CC2COCC(N2)C(O)C([NH3+])C1,0,GDB ChEMBL
215339,CCC1=C(CC(O)CC(N)=O)CCC12CC2,0,GDB ChEMBL
361804,CCCC(OCC)C(C)(C)C(=O)CNC=[NH+]C,0,GDB ChEMBL
376016,C#CC1CC(C#N)(N(C)CC2CC2)C1,1,GDB ChEMBL
131901,CCC1C(CO)C(C)=CC2C(=O)OC21,0,GDB ChEMBL
288683,CC1(OCC(O)(C[NH3+])C(N)C#N)CC1,0,GDB ChEMBL
366012,CC1C([NH3+])CC[NH2+]C(C2CCCC2)C1(C)CO,0,GDB ChEMBL
41143,N#CCN1CC(C#N)(C#CCO)CC1=O,0,GDB ChEMBL
387100,CC(C#N)C(C[NH+]=CN)C([NH3+])C(=O)[O-],0,GDB ChEMBL
361127,CCC1CC(C(=[NH2+])NC)(C(CO)[NH2+]C)CC1C,0,GDB ChEMBL
362597,CC(=O)CC1(C(F)(F)F)CCCNC(=O)C1=O,0,GDB ChEMBL
386523,CC(C)(C(N)=O)C(=N[O-])C(=O)CC(O)CO,0,GDB ChEMBL
25129,CC1[NH2+]C2C=CC(C)(C1C[NH3+])C2CC#N,0,GDB ChEMBL
354388,CN(CC(C[NH3+])OC=O)CC1CCOCCO1,0,GDB ChEMBL
86729,CCC(Cc1ncc(Br)cc1C)C(C)(C)C,1,GDB ChEMBL
358254,CC1CC2OC(C)C(C[NH2+]1)C2O,0,GDB ChEMBL
221963,C#CC1C[NH+]2CCC1C1CCC2C1(C)CC,0,GDB ChEMBL
260701,CCOC1CC2(O)C(C#N)NCC12,0,GDB ChEMBL
194761,Cc1cc(Br)c2c(c1N)C(C)CC1CC21,0,GDB ChEMBL
28198,C#CCC1=CCC(C(C)C)C1(C)CC,1,GDB ChEMBL
42580,CC(O)C1[NH2+]CC2(O)C(C)NC(=O)C12N,0,GDB ChEMBL
245837,CC1C2C=CC1C1C2C12CCCCC(O)C2,0,GDB ChEMBL
24492,COC1OC(C2CN2)C(OCC(=O)[O-])C1O,0,GDB ChEMBL
319353,CC(CC1CC1)C1C2CC2(C)C[NH+]1C,0,GDB ChEMBL
286266,COCC1(C)NS(=O)(=O)CCC(C)(C)C1=O,0,GDB ChEMBL
251016,CCCCC1OCC2C=CCC(C)C21,0,GDB ChEMBL
234983,C#CC1CCOC(=O)C1NC(C(N)=[NH2+])C(C)C,0,GDB ChEMBL
156788,CC(=[NH2+])NCCCn1ncc(C)c1C[NH3+],0,GDB ChEMBL
248918,COc1nc(N)n2c1N(C)CCCN(C)C2=O,0,GDB ChEMBL
370235,CCC(C(C)C)C1CCCCC2C[NH+]21,0,GDB ChEMBL
252294,CN(C(C[NH3+])(C(=O)[O-])C1CC1)S(C)(=O)=O,0,GDB ChEMBL
235172,COCc1nc(C)cc(O)c(=N)c1C=O,0,GDB ChEMBL
243722,CCCCC1C2C3CC=C(C)CC(C3C)C12,0,GDB ChEMBL
304145,C#CCC1CC(C)CCC=C(C)C12CCC2,0,GDB ChEMBL
281799,CC(=O)Nc1oc(=O)c(C)c(C[NH+](C)C)c1N,0,GDB ChEMBL
277658,CCC#CC(=O)C(C)(C)C(=O)OC,1,GDB ChEMBL
215254,CCC1CCCC2C[NH2+]CC2CCCC(O)C1,0,GDB ChEMBL
269351,CC(=CCC=O)CCN(C)CC#N,1,GDB ChEMBL
347951,CCC1(C)CCCCC(C)([NH2+]C)C1C,0,GDB ChEMBL
338505,CS(=O)(=O)NCC[NH+]=C(N)OCC[NH3+],0,GDB ChEMBL
249868,COC(C[NH3+])C1C(C)CC(O)C12CN2,0,GDB ChEMBL
101893,CCCCCC(C)(O)CC,1,GDB ChEMBL
184628,C#CC1C(NC(N)=O)C12C[NH+]1CC2CC1C,0,GDB ChEMBL
281196,CC1OC(C[NH3+])C2CC(CO2)C1O,0,GDB ChEMBL
299993,CCC(C)C1C[NH2+]CC1N1CCCC1C(C)=O,0,GDB ChEMBL
113473,COc1c(N)cc(C(C)O)cocc(N)c1[O-],0,GDB ChEMBL
330788,CNc1cocc1CCC1CCCC1[NH+](C)C,0,GDB ChEMBL
242665,CCN1CC(O)C2CC1C[NH2+]2,0,GDB ChEMBL
124157,CN1CCN2C(CC[NH3+])C3NC3C2CC1=O,0,GDB ChEMBL
166449,CCC12CC[NH2+]C(CCCO1)C2,0,GDB ChEMBL
65906,C#CC1c2cccnc2C(C)(C)C(CC)C1C,0,GDB ChEMBL
41296,CC1CC(O)C(C2CCCCCC([NH3+])C2)[NH2+]1,0,GDB ChEMBL
208222,O=CC12CC(CCOC1=O)C2,1,GDB ChEMBL
317980,CCOC1C([NH3+])C2NC(=O)C1C2C,0,GDB ChEMBL
181520,CC1(CC[NH3+])CCCC1C(C#N)CC#N,0,GDB ChEMBL
292909,CC#CCc1cc2c(cc1F)CC(C)C2,1,GDB ChEMBL
23635,C[NH+]1CC=C2C(C1)OCC2(C)C[NH3+],0,GDB ChEMBL
222202,CCC(C)C1([NH3+])CC1C(C)O,0,GDB ChEMBL
385459,CC(O)CC1CC(C)c2c(Cl)cc(Cl)c(Cl)c21,0,GDB ChEMBL
23636,CC(C)CC1CCC2(N)C[NH+](CC2O)C1C,0,GDB ChEMBL
209446,C[NH2+]CC1(C(N)=O)NCCC(C)=C1C(=O)[O-],0,GDB ChEMBL
252115,CCC1(CC(=O)[O-])CC(=O)C1,1,GDB ChEMBL
311634,CCC(C)C1(CC)C[NH2+]CC=CC1O,0,GDB ChEMBL
186576,CCC1CCC2(C)CCC(=CC1C[NH3+])CC2,0,GDB ChEMBL
67390,N#C[C-]1OC(=O)NCCNC1=O,0,GDB ChEMBL
108695,COC1CC1CCOC(C)=O,0,GDB ChEMBL
686,CC1CC2([NH3+])CC[NH+](C)C(C3CC3)C2(C)C1,0,GDB ChEMBL
87698,CC1(O)C(=O)C(C=O)=CCNC1C(N)=O,0,GDB ChEMBL
47557,C[NH2+]CC1NCC2(C)COC(=O)C12OC,0,GDB ChEMBL
80334,[NH2+]=C(CCC[NH3+])NCc1n[nH]c2c1COC2=O,0,GDB ChEMBL
124762,CC(=O)OC1(C(=O)c2cccs2)CC(C)C1,1,GDB ChEMBL
180945,CC#CC1(C)CC(C)[NH2+]C1COC,0,GDB ChEMBL
184902,C[NH+]1CC(c2[nH]ncc2NCCC(N)=O)C1,0,GDB ChEMBL
107645,CNC1CC([NH3+])CC(C)NC(=[NH2+])N(C)C1,0,GDB ChEMBL
105101,C=Cc1c(NC=[NH2+])ccc(C)c1Cl,0,GDB ChEMBL
140127,CC1C2CC3[NH2+]CC2OC31,0,GDB ChEMBL
246428,CC(C)(CC[NH3+])C1=CCCC=CC1CO,0,GDB ChEMBL
1479,CCCCC1C(C)C=C(C)C1C(F)(F)F,0,GDB ChEMBL
274004,NC(=O)C1C(=O)C(O)CC2OC21,0,GDB ChEMBL
97220,C[NH+]1CC2[NH2+]CC34CCCCC1C3C24,0,GDB ChEMBL
15564,CC1CC2C(CO)CC(C)(C1)C2[NH3+],0,GDB ChEMBL
125679,CCCC1[NH2+]C2CC3CC[NH+](C)C3C12,0,GDB ChEMBL
151203,CCc1c(C)c(C2CC=CC2)c(CC)n1C,1,GDB ChEMBL
147857,N#CC1NC(C(N)=O)C(O)C(OCC[NH3+])C1O,0,GDB ChEMBL
343975,CC(=O)NC(=O)C1(CO)N=C(N)OCC1=O,0,GDB ChEMBL
379192,CC1CC(c2cncn2CCS(N)(=O)=O)C1,0,GDB ChEMBL
120827,CC12CN(C(N)=[NH2+])C(=[NH2+])C1CC(O)C(=O)N2,0,GDB ChEMBL
349948,CCC1CC(C(C)(C)C)CCC(C)=CC1C,0,GDB ChEMBL
149934,CCc1nnn(CCS(C)(=O)=O)n1,1,GDB ChEMBL
338115,[NH3+]CCN1CCc2ncnn2C1=O,0,GDB ChEMBL
20509,CC1CCC2COCC2C(C)(C)C1O,0,GDB ChEMBL
354786,COC1CN(C)C2C(C)[NH2+]C13CC23,0,GDB ChEMBL
210253,COCCOCC(N)C#N,1,GDB ChEMBL
121960,CN1CCC2(Cc3ccncc3I)CC12,0,GDB ChEMBL
385447,CC1=CC(CO)C(=O)C(CCCO)C1,0,GDB ChEMBL
184648,CCCC1CCCCCC1(C)C1=CCCC1,0,GDB ChEMBL
288425,CC12CC(OCC1[NH3+])C(=O)N2,0,GDB ChEMBL
1507,CC(O)CCN(C)C(=O)C(N)C#N,1,GDB ChEMBL
209882,Cc1cc(F)c2c(n1)OCC=C2,1,GDB ChEMBL
259661,CN1CC(CC(O)C(=O)[O-])[NH+]=C1N,0,GDB ChEMBL
246954,OCCCC1C2C3CC[NH+]2C13,0,GDB ChEMBL
5894,CCC12C[NH2+]C(CC(O)C1)C2N,0,GDB ChEMBL
349628,C#CC1[NH2+]CCCCCC1O,0,GDB ChEMBL
65626,CCC1CCC=C(C)C1OC=O,1,GDB ChEMBL
333869,CC([NH3+])C1CC(N)C(=O)OCC2OC21,0,GDB ChEMBL
235521,C=CC(NC(=O)NCC)=C(C)CC,1,GDB ChEMBL
92879,CCCc1ccc2cc(CC)c(Cl)c(N)n12,0,GDB ChEMBL
252610,C[NH2+]CCC1=C(CC(C)C)NC(=O)OC1,0,GDB ChEMBL
354383,COC(=O)CC1(CC[NH3+])OC(C)(C#N)C1O,0,GDB ChEMBL
191417,COC1CCCCCC12CCC2C,1,GDB ChEMBL
240438,C#CCCCc1cc(F)c(CC)c(C#C)c1C,1,GDB ChEMBL
109494,C=CC[NH+]1C2C=CC1C(C)C(C)C2,0,GDB ChEMBL
46021,CCN=C1CC(CO)(OC(C)=O)C(=O)CO1,0,GDB ChEMBL
169473,CCOC1C2=CCCCC2N=C1NCC#N,0,GDB ChEMBL
230403,COCC1=CC(=O)C(C#N)([N-]S(C)(=O)=O)CN1,0,GDB ChEMBL
312817,[NH3+]C1CC2OC(=O)CNC(=O)NC12,0,GDB ChEMBL
140165,NC(=[NH2+])NCC1C(=O)OCCC2OC21,0,GDB ChEMBL
138350,COC(C)C(C)[NH2+]C1CCCC2OC12,0,GDB ChEMBL
46861,CCC(CC)[NH+](C)CC1C2OC1C(C)C2C,0,GDB ChEMBL
290136,CCC1C[NH+]2CC3CC2CCCC13,0,GDB ChEMBL
61828,CC[NH2+]CC(C=O)CC1CC1C,0,GDB ChEMBL
148554,CC(C)OCC#CC(C=O)NC1CCC1,1,GDB ChEMBL
214697,C#CC(C)(O)C1CC(O)C(C(C)=O)CC(C)[NH2+]1,0,GDB ChEMBL
190815,O=C1OC2CC(CO)C(O)CNC12,0,GDB ChEMBL
79318,CCC1CC(O)(CCCC2CC=CC2)C1,1,GDB ChEMBL
385943,CCCC1(C[NH+](C)C)CC([NH3+])C1O,0,GDB ChEMBL
151078,CC(=O)OCC1C2(C)C=CCC12O,1,GDB ChEMBL
116343,CC[NH2+]C1CC=CC12CCCO2,0,GDB ChEMBL
207321,C[NH2+]C1C(N)C2CCC1(O)COC(=O)NC2=O,0,GDB ChEMBL
70104,CC([NH3+])C1C2[NH+](C)CCC12CO,0,GDB ChEMBL
366016,CC1(C)CCC(C)([NH2+]CCC2CCC2)CC1,0,GDB ChEMBL
116027,NC(=O)NC1C2N=C(N)OC21C(=O)[O-],0,GDB ChEMBL
354480,NC(=[NH2+])NC(C(N)=[NH2+])C(=O)OCC[NH3+],0,GDB ChEMBL
255451,CCCCC1=CCC(C)(C)CCC(C)C1,0,GDB ChEMBL
230725,CC[NH+]1CCC(C)(C)C(C)C1C,0,GDB ChEMBL
234397,N#CC12CC=CCC(CCN1)C2,0,GDB ChEMBL
16727,CC1CCCCC2C[NH2+]CC12C,0,GDB ChEMBL
375993,CCC([NH3+])c1cccc2[nH]c(CO)cc(=O)c12,0,GDB ChEMBL
299206,COC1C(C)=CC2C[NH2+]C(C2)C1C,0,GDB ChEMBL
164698,C[NH2+]Cc1nc(C(N)=O)c(O)nc1C,0,GDB ChEMBL
182091,CC(C)(C)N(CCO)CCS(=O)(=O)CC=O,1,GDB ChEMBL
18803,COCC12C(C(=O)CN1C)C2(C)OC,0,GDB ChEMBL
200732,CC1C(C(=O)[O-])OC(N)=[NH+]CC(N)C1[NH3+],0,GDB ChEMBL
18640,CC1CCC[NH+](CC2(C)CC2)C(C)(C)CN1,0,GDB ChEMBL
170451,C#Cc1cnc(C2CC2)cc1C=C,1,GDB ChEMBL
162490,C[NH2+]CCOC(=O)C(CC=O)OC,0,GDB ChEMBL
277648,COC1C=C(C)C(C[NH3+])C1C,0,GDB ChEMBL
165236,N#CC(O)C(O)C(O)C1CC(N)C(=O)O1,0,GDB ChEMBL
333676,C[NH2+]C(C)(C)C1OC(CC(=O)OC)C1N,0,GDB ChEMBL
240425,COCCC1(n2ccc3c2C(C)CC3)CC1,0,GDB ChEMBL
159872,N=C(CC(N)=O)N(C(N)=O)C1COC1=O,1,GDB ChEMBL
276335,CC(c1cc2c(F)cc(N)cc2[nH]1)N1CC1,1,GDB ChEMBL
61971,CC[NH+]1CCC2CC(C)([NH2+]C)C1(C)C2,0,GDB ChEMBL
204683,CN(CC1OCCO1)C(=O)NC(C=O)CC=O,1,GDB ChEMBL
355332,C#CCC([NH3+])C(O)C(O)CO,0,GDB ChEMBL
236645,CCCC1CC(CC)C(NC=O)(C(O)C[NH3+])C1,0,GDB ChEMBL
135412,CC(=O)C(C(CCCC=O)=NO)C(C)O,0,GDB ChEMBL
345723,C[NH2+]C1CCC2(C)C(C(=O)[O-])C2([NH3+])C1,0,GDB ChEMBL
287373,CCC1OC2OC1C(CO)C2[NH3+],0,GDB ChEMBL
112061,CNc1cc(F)cc(N(C)CC2(C)CC2)c1,1,GDB ChEMBL
112810,Cn1nnc2c1NC(=O)CC2,1,GDB ChEMBL
377946,CCCC1(C)C2C(C)=C(C)C1C(C)=C2C,0,GDB ChEMBL
259497,CC(C)([NH3+])C(=O)NCCO,1,GDB ChEMBL
35499,CC1C2C(CC[NH+](C)C)C[NH+]12,0,GDB ChEMBL
397927,COCc1ccc2[nH]ccc2c1O,1,GDB ChEMBL
279240,N#CC1CC(=O)C(CCC(N)=O)C1C#N,0,GDB ChEMBL
130223,C#CC(C#C)CCCc1cc(I)c(I)cc1C,0,GDB ChEMBL
120365,C#CC1COc2c(ccc(Cl)c2C)C1,1,GDB ChEMBL
343993,CCOc1nc(O)nc(O)c1S(N)(=O)=O,1,GDB ChEMBL
382178,CC12CC1C1(CCNC2=O)CC1,1,GDB ChEMBL
343958,CC(=O)OCC12OC1C([NH3+])C(O)C2O,0,GDB ChEMBL
375676,CNC(=O)C1CC([NH3+])C=C(C[NH3+])CC[NH2+]1,0,GDB ChEMBL
75037,CC1CNS(=O)(=O)C2C(N1)C2C(=O)[O-],0,GDB ChEMBL
203260,CCCCC([NH3+])C(CCCO)CC(C)C(=O)[O-],0,GDB ChEMBL
101478,Cc1c(O)cc2ccc(Cl)nc2c1C,1,GDB ChEMBL
161408,CCC1Cn2ccnc2C2CCCC1(C#N)C2,0,GDB ChEMBL
289951,COCC1CN(C)S(=O)(=O)CC(C)C1C[NH3+],0,GDB ChEMBL
102337,CNC(=O)N(C=O)C(C)C[NH+](C)C,0,GDB ChEMBL
366062,CC#CC(CCC[NH2+]C)c1cnoc1,0,GDB ChEMBL
99842,CCC1CCCCC2CC(C)C(C)(C)C12,0,GDB ChEMBL
277875,CCC1(C)CCCC(=O)C1,1,GDB ChEMBL
231140,CCCC(C)C1CC(O)CC2(C)CCC12,0,GDB ChEMBL
308713,CCC(CC(N)=O)Nc1nn[nH]n1,1,GDB ChEMBL
99616,CC(O)CC1C(C(=O)[O-])NC(=[NH2+])C2CN21,0,GDB ChEMBL
134481,CC1CC[NH+]2C3CCC1C2CC3,0,GDB ChEMBL
385417,C[NH2+]C1(C(N)=O)CC=C(COC)C1,0,GDB ChEMBL
171322,CNC1=[NH+]C(C2OCC(C[NH3+])CO2)CCN1,0,GDB ChEMBL
316114,CCC12CC1C1CC2C[NH+]1C,0,GDB ChEMBL
34261,CC1=C2CCC(C)(C)CC2CC[NH+](C)C1,0,GDB ChEMBL
358209,O=C1OC2CCCC1C(=O)O2,1,GDB ChEMBL
309171,CCCCC=CC(C(C)C)C(C)C,1,GDB ChEMBL
214417,C[NH2+]C1CCCC2(C)CC([NH3+])C(O)C1N2,0,GDB ChEMBL
24528,CC1(C(=O)[N-]S(=O)(=O)C(CO)C(N)=[NH2+])CC1,0,GDB ChEMBL
379396,CC(C)C1=CCCCCC1(C)C1CC1C,0,GDB ChEMBL
22843,CC(O)CC(C)(O)C1(O)COC(C)C1C(N)=O,0,GDB ChEMBL
333083,CCc1ccn(CC)cccc(C)c1C,0,GDB ChEMBL
153728,N#Cc1ncc(C=O)c(N)n1,1,GDB ChEMBL
223251,CC(=[NH2+])Nc1c(C=O)n[nH]c(=O)c1CO,0,GDB ChEMBL
2083,Cc1nccc(=N)[nH]c1=NC(C)CC(=O)[O-],0,GDB ChEMBL
28282,CCc1ccc2c(c1F)C1CCC3C2C13,1,GDB ChEMBL
146034,COC1CNS(=O)(=O)CC(=O)C(CO)C1O,0,GDB ChEMBL
325740,CCC([NH3+])C1[NH2+]C(C)C(C(C)O)C1C,0,GDB ChEMBL
305373,C#Cc1cc(F)c(C)c(C)c1OCC#N,1,GDB ChEMBL
206812,CC(=O)NC1CC([NH+](C)C)CC1(C)[NH3+],0,GDB ChEMBL
98542,C[NH+]1CC2C3OC(=O)CC(C3O)C21,0,GDB ChEMBL
196730,CCCCCC1CC(C(C)O)CC1(C)OCC,1,GDB ChEMBL
318741,CC1OCC2(CO)CCC1O2,0,GDB ChEMBL
225806,CC1=C2C(CC1=O)C(CO)C1CC[NH2+]CC21,0,GDB ChEMBL
15580,CC1C2CNC(=[NH2+])C(C2)[NH+]1C,0,GDB ChEMBL
383293,CCCC1(C)CC2(CCCC2)CC2CC21,1,GDB ChEMBL
296299,CCC1(O)CNC(=O)CC(OC)C1,1,GDB ChEMBL
377309,C#CCCC1CC1COC(C)(C)C[NH2+]C,0,GDB ChEMBL
256148,CC1CCC=CC(=O)OCC2OC1C1NC21,0,GDB ChEMBL
104970,CC1(C(C=NO)C(N)=O)CC2C[NH2+]C2CO1,0,GDB ChEMBL
151077,CC1=CCC2C(N)=[NH+]CCC2(C)CCC1,0,GDB ChEMBL
7787,CN1CC23OC2C1C(=O)NC3CO,0,GDB ChEMBL
184681,CC12CCCCCC1CCC2OCC(F)(F)F,1,GDB ChEMBL
379225,C[NH2+]CC(N)C1(C#N)[N-]C(=O)C(O)C1O,0,GDB ChEMBL
276048,CCC([NH+]=C(N)N(C)C)C(O)C[NH3+],0,GDB ChEMBL
156099,CC(C(=O)[O-])C([NH3+])C(O)C1OC=NC1CC[NH3+],0,GDB ChEMBL
156524,CCN1CC(=O)C(O)(CC(=O)[O-])C[NH+]=C1NC,0,GDB ChEMBL
28267,NC(N)=[NH+]CCc1scnc1C(=O)NC=O,0,GDB ChEMBL
127154,COC1COC2CC=CCOC12,1,GDB ChEMBL
115718,NS(=O)(=O)CC12CC1[NH2+]C1C(=O)NCC12,0,GDB ChEMBL
184684,C[NH2+]CC(O)C1(C)CCN(C(=O)C(F)(F)F)C1,0,GDB ChEMBL
229408,Cc1c(CC[NH3+])cc(Cl)nc1CC(C)([NH3+])CO,0,GDB ChEMBL
332428,CC(C1CCCc2cccc(Br)c21)C(F)(F)F,1,GDB ChEMBL
334635,NC(=O)CCC1CNC(=[NH2+])CNS1(=O)=O,0,GDB ChEMBL
30364,CC1(O)CCC2(C)C1N2C(C)(C)C(N)=O,0,GDB ChEMBL
84845,COC12C(=O)OCOC1CC([NH3+])C2O,0,GDB ChEMBL
333865,CCC(=O)C(C)C(CC)C(C)C1CC1,1,GDB ChEMBL
114376,COC1CC2C(C)=CC1CC2O,1,GDB ChEMBL
279260,C#Cc1ccc(F)cc1C(C)C(C)CC(C)C,1,GDB ChEMBL
11368,CC1CC[NH2+]CC(C(=O)N(C)C)C1(O)C(=O)[O-],0,GDB ChEMBL
156136,C[NH2+]C1COC2C([NH3+])C2(C)NC(=O)C1,0,GDB ChEMBL
46039,CC1=CCCC(CO)=CCC1,0,GDB ChEMBL
232113,CCC(C)(C1CCC[NH2+]C1C)C1(C)CC1,0,GDB ChEMBL
392719,N#CC12[N-]C(=O)NC(C1O)C2C(=O)[O-],0,GDB ChEMBL
10972,C[NH+]1CC(C(=O)[O-])C1CNC=O,0,GDB ChEMBL
29603,CN(CC(=O)[O-])CC(Cc1ncno1)=N[O-],0,GDB ChEMBL
77397,C=CC(C(C)C)C1(CC)CCCC1,1,GDB ChEMBL
338889,CC1CCOC1CC(F)(F)F,1,GDB ChEMBL
387258,O=C1[N-]S(=O)(=O)CC(C2CC2)C1O,0,GDB ChEMBL
225326,NS(=O)(=O)C1(C(=O)[O-])C[NH2+]C(C=O)C1,0,GDB ChEMBL
84909,CC(=CC(C)[NH3+])C(C)CCC(C)C,0,GDB ChEMBL
395939,C[NH2+]CC1CC2[NH2+]CCC(C)C[NH+]1C2C(C)C,0,GDB ChEMBL
89350,C#CCc1nccc(N)c1C[NH2+]CC(N)=O,0,GDB ChEMBL
84256,CC1[NH2+]C2CC(CO)C1C(N)(C(N)=O)C2,0,GDB ChEMBL
195357,N#Cc1cccc(=O)cn1,1,GDB ChEMBL
179288,CC1(O)CNC2CC1OC2=O,1,GDB ChEMBL
181537,C#CC1CC(CC2CC2)N2C(=O)C(C)=CC12,0,GDB ChEMBL
282221,C[NH2+]CCC1CC([NH2+]C)C(=NO)CCC1C,0,GDB ChEMBL
44125,CCc1c(O)ccc(C2CCC2)c1Cl,1,GDB ChEMBL
149327,CC1CC2C(C)C(C)C2CCCCO1,0,GDB ChEMBL
10964,C#CC[NH+](C(C)CC)C1(C)C(C)C1(C)C,0,GDB ChEMBL
93789,CC(C)(C)C1C=CCCC1O,1,GDB ChEMBL
128335,O=C1NC2CC1C1OC2C1(O)C(=O)[O-],0,GDB ChEMBL
230414,CCC(CO)C1CC(C)CC(C)OC1=O,0,GDB ChEMBL
61912,CC(=O)c1cnc(C)cc[nH]c(=[NH2+])s1,0,GDB ChEMBL
3798,CCC1CC(N(C(=[NH2+])NC=[NH2+])C(C)C)C(=O)N1,0,GDB ChEMBL
349453,CCC(C)(C#CC[NH3+])C(N)=O,0,GDB ChEMBL
37135,CN1C(=O)C(C)(C[NH3+])OC1=NC(CO)C(=O)[O-],0,GDB ChEMBL
195237,CC1(C[NH3+])CNC(C([NH3+])C(=O)[O-])C(C#N)N1,0,GDB ChEMBL
59577,O=C1OC2(C[NH2+]C2)C(O)C1CCO,0,GDB ChEMBL
378616,CC#CC#CC#CCCC(CC)CC,1,GDB ChEMBL
380277,CC(C)C1(C2CC[NH2+]C2)CC1,0,GDB ChEMBL
331481,CCCCCCCC(C)CCCCC,1,GDB ChEMBL
89693,C#CC(CO)C(C)(C)[NH+](C)CC,0,GDB ChEMBL
22588,CC(O)C(=O)NCCOC1CC(=[NH2+])NC1CN,0,GDB ChEMBL
254947,CC(C)CCC1CC(C(C)(C)C)CC(C)C1C,0,GDB ChEMBL
190409,N#CC1(C2COC(=O)N2)OC(C(N)=O)CC1O,0,GDB ChEMBL
398749,C#CCCCCC(C=O)C=O,1,GDB ChEMBL
243790,C[NH+]=C(NC(=N)OC)NC1C[NH2+]CC(O)C1,0,GDB ChEMBL
319328,Cn1cc(O)c(CNC(=O)CO)n1,1,GDB ChEMBL
99095,C[NH+]1CC2CC3CC3C1C2O,0,GDB ChEMBL
69609,CC1CC2(O)C(C)[NH2+]CC(N)CC1C2O,0,GDB ChEMBL
343262,Cn1ncnc1C(C[NH3+])c1ncc[nH]1,0,GDB ChEMBL
174064,C=C1C(=O)N(C)C(C)CC(C)C1[NH3+],0,GDB ChEMBL
339275,O=C([O-])CCCOCC(O)S(=O)(=O)[O-],0,GDB ChEMBL
334678,C#CC(CCC(F)(F)F)c1cccc(I)c1,1,GDB ChEMBL
379681,COc1ncc(CNCC[NH+](C)C)[nH]1,1,GDB ChEMBL
316469,OCCCC1COCOC1,1,GDB ChEMBL
181614,CCOC(C#N)(CC)CC1CC(C)C[NH2+]1,0,GDB ChEMBL
97115,CC1C(O)CC2CN(C)C(=O)C3C[NH+](C3)C21,0,GDB ChEMBL
108733,N=c1[nH]c(O)ncc1CNC(=O)CO,1,GDB ChEMBL
189880,CC1CC(C(=O)[O-])C(O)C2OC12,0,GDB ChEMBL
21437,O=C([O-])C1COCC(CO)N1,0,GDB ChEMBL
255475,CC1(O)CN(C(C)(C)C=CCO)C1,1,GDB ChEMBL
29479,CCCC(C)N(C=[NH2+])C1C(C)COCC1N,0,GDB ChEMBL
84459,CC1C[NH2+]CC=CCC(CCC=O)C1,0,GDB ChEMBL
28950,CC1OC(CO)C(C[NH3+])C1(C#N)NC(N)=[NH2+],0,GDB ChEMBL
99590,CCC(O)(C(=O)[O-])C1OCC1[NH3+],0,GDB ChEMBL
200772,CC1=CC=C(C)CCCC(C)CCC1,0,GDB ChEMBL
102181,CC1(C(=O)[O-])OC2CNC(C(N)=[NH2+])C1C([NH3+])C2,0,GDB ChEMBL
184071,C#CC1=CC2CC(CC[NH2+]C)(C1)C(C)O2,0,GDB ChEMBL
356864,Cc1cc2cc(C(C)[NH+](C)C)c(Br)cc2cn1,0,GDB ChEMBL
354986,CCOC12C[NH2+]CC1C2,0,GDB ChEMBL
122691,CC(NCC(C#N)NC(=O)OC=N)C(=O)[O-],0,GDB ChEMBL
119240,CCC1(C=O)C(C)[NH2+]C1C(=O)[O-],0,GDB ChEMBL
126353,CCC[NH2+]CCCC1(C[NH3+])CN1,0,GDB ChEMBL
248637,C#CC1(C#N)CCC(CC)C1O,1,GDB ChEMBL
226252,CC1(C#N)[N-]C(=O)CC12C[NH2+]C2,0,GDB ChEMBL
115709,Nc1c(CO)c(I)cc(CC2CC2)c1C[NH3+],0,GDB ChEMBL
34757,CC1CC(C(C)(C)C)C=CC1=O,1,GDB ChEMBL
62598,C=CC1(C)C2C(C)C[NH+]3C2CCC31,0,GDB ChEMBL
247487,[NH3+]C1COCC(CO)(C(=O)[O-])C(=O)OC1CO,0,GDB ChEMBL
126596,O=COCC(C1CCCC1O)N1CC1,1,GDB ChEMBL
303886,CCOC1(C[NH3+])COC1,1,GDB ChEMBL
274025,CC1=CC2CC(NC1=O)C(=O)C2(O)CO,0,GDB ChEMBL
375885,CCC1CCC2CNC(=O)C(C1)C2(C)C,0,GDB ChEMBL
136563,N#Cc1cc(O)ccc(=O)c1,1,GDB ChEMBL
200559,CC1CC2(C#N)C=CC[NH+]1CC=CC2,0,GDB ChEMBL
174852,C[NH2+]CCNC12CC(CO)(C1)OC2=O,0,GDB ChEMBL
215709,CC(C)C(C)C(C)CCNc1cc[nH]c1,1,GDB ChEMBL
372742,CCC(C)[NH+](C)C1CCC(CC(C)(C)C)C1,0,GDB ChEMBL
179461,Cc1ncc2nc(cc3c(n1)C[NH2+]C3)OC2=O,0,GDB ChEMBL
92323,CNC(=O)C1COC(C2CC2C)O1,1,GDB ChEMBL
186701,CC1CC(C)C2(CC2)C2CC(O)CC12,1,GDB ChEMBL
79512,COC1C(=O)CC(CO)=CCC12CCC2,0,GDB ChEMBL
284358,CNCC(=O)OCC1CC(=O)CN1,1,GDB ChEMBL
348809,Cc1nc2c(c(F)c1O)C1CN2C1,1,GDB ChEMBL
368524,CCCCCC1(CCC)CC(C)(C)CCC1C,0,GDB ChEMBL
191527,COC1CC([NH+](C)C2CC2)CC1C,0,GDB ChEMBL
112524,C#CC1(C)C(C(C)O)CCC[NH+](C)CC1(C)O,0,GDB ChEMBL
233479,CCCOCC1CC2(O)CC2(COC)C1,0,GDB ChEMBL
180012,[NH3+]CCC(CO)Oc1nsnc1[O-],0,GDB ChEMBL
304627,N#CC1Cc2ccc(Br)cc2C2(CC2)C1=O,1,GDB ChEMBL
34980,CC12CC(=O)OCC(O)C(C[NH3+])N1C2,0,GDB ChEMBL
271834,COCCC(NC=O)C1NCC(=O)NCC1=O,0,GDB ChEMBL
273437,CC1(C)CN=C2NC(=O)C(C([NH3+])C1)C2O,0,GDB ChEMBL
1983,CC1=CCC(C)C2CC(=O)CC12C,0,GDB ChEMBL
245865,C=CC12CC3CC(O)C1C2[NH+]3CC,0,GDB ChEMBL
321442,[NH3+]CC(O)C1OC1(CO)CC(=O)[O-],0,GDB ChEMBL
191404,Cc1ncc(OC(=O)CNCC(C)(C)[NH3+])n1C,0,GDB ChEMBL
147426,N#CC1CCCC2=[NH+]CC3(CC[NH2+]C3)CCN21,0,GDB ChEMBL
358462,CCC1C2CC(CC2[NH3+])C1(C)O,0,GDB ChEMBL
252558,Fc1ccc2c3c1C1CC1C3C1CC21,0,GDB ChEMBL
219565,CCCc1cc(C)c(C[NH2+]C)cc1C(C)O,0,GDB ChEMBL
45660,CC1=CC(C(=O)N(C)C)[NH2+]CC=C1,0,GDB ChEMBL
396767,CC#CC1(c2cc(Cl)c(C)cc2C)CC1,1,GDB ChEMBL
363002,CCC1OC(C)CC1C[NH2+]C,0,GDB ChEMBL
217017,Cc1noc2c1CC(C[NH3+])C(=O)NC2,0,GDB ChEMBL
29000,CCC1CC=C(C)C2(C)CCCC12,0,GDB ChEMBL
33263,CCCCCOC(C)C1CS(=O)(=O)C1,1,GDB ChEMBL
119825,[NH3+]CCC12C=CCNC(=O)CC1N2,0,GDB ChEMBL
271535,CC1OCC(C[NH3+])(C(O)C(=O)[O-])CNC1C#N,0,GDB ChEMBL
268186,Cc1cc(C)c(C(F)(F)F)c(Br)c1Br,1,GDB ChEMBL
203809,CC(=O)C(O)CC(O)C(CO)NS(C)(=O)=O,1,GDB ChEMBL
81736,CN(C=O)C1C(=O)NC2CC2C1O,0,GDB ChEMBL
202026,CN(C)C(CO)C(N)(C#N)C#CCNC=O,1,GDB ChEMBL
354479,CCC1C[NH2+]C(C2OCC2O)C(C)C1,0,GDB ChEMBL
216521,C=CC(C)C1C=C2CCCCC2C1,1,GDB ChEMBL
147590,C#CC(CCCOC(C)(CCC)C(=O)[O-])OC,0,GDB ChEMBL
291480,COCC1NS(=O)(=O)CC(O)C1(C)[NH3+],0,GDB ChEMBL
304024,CC1CC2(C#N)CC(O1)C(=O)[N-]2,0,GDB ChEMBL
80489,NC(=[NH2+])C(N)C(O)Cc1cc(N)nc(O)n1,0,GDB ChEMBL
115741,CC1C2CCC=C2C1[NH2+]Cc1cccn1C,0,GDB ChEMBL
111558,CCCCC1CC2C(CC)C(C1)C1C2[NH+]1C,0,GDB ChEMBL
129561,CC(O)C([NH3+])C(C)CC1C(O)C1O,0,GDB ChEMBL
161925,CC(=O)C12CNC(N)=[NH+]C1COC2=O,0,GDB ChEMBL
119666,C#CC(OC)C1C2CC[NH2+]CC2C1(C)C,0,GDB ChEMBL
172785,C#CC1(C)CC([NH3+])C(C)CCC1C(=O)OC,0,GDB ChEMBL
243723,CC1C(O)C(=O)NC(=N)N2C(C)C12,0,GDB ChEMBL
366608,Cn1ncc2nc(O)c(O)c(N)c21,0,GDB ChEMBL
251410,COC1CC2CC3(C)CCCOCC(C3)C2C1,0,GDB ChEMBL
198847,C[NH2+]Cc1cc(C)c2c(n1)C1(CC1)C(=O)N2,0,GDB ChEMBL
366527,CCN(CCO)C1(C[NH3+])COCC([NH3+])C1,0,GDB ChEMBL
392480,C#CC(NC(N)=O)C([NH3+])CO,0,GDB ChEMBL
76990,CC1OC2C(=O)NC1CC2(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
358808,CC(O)c1ccc2c(c1)C1(CC2)CC1,1,GDB ChEMBL
343980,CC1C(O)C2NC(=O)C1(C)C2OS(N)(=O)=O,0,GDB ChEMBL
356805,CC1CC2CC1C(C)C2CCO,1,GDB ChEMBL
372085,C[NH2+]CC(=O)N(CC(=O)C(=O)[O-])C(N)=O,1,GDB ChEMBL
338148,CC1CC[NH2+]C2C(O)COC2(C)C1,0,GDB ChEMBL
308252,CC1CC1C(C)(C[NH3+])c1cccc(O)c1,0,GDB ChEMBL
204609,N=C1OCC(O)C([NH3+])C(O)C1C(N)=O,0,GDB ChEMBL
285724,CC(CC(F)(F)F)CC1(C(C)[NH3+])CC[NH2+]CC1,0,GDB ChEMBL
273635,CCCn1nc(N)nc1C,1,GDB ChEMBL
290541,C[NH+]=C(C)N1CCCC2CC21,0,GDB ChEMBL
23955,CCC(NC=O)C1OC(=O)C1C(C)[NH3+],0,GDB ChEMBL
85050,C[NH2+]C1C(OCC(=O)[O-])C(C)OCC1(O)C[NH3+],0,GDB ChEMBL
4901,O=S1(=O)CC(C2(O)CCC2)CN1,0,GDB ChEMBL
396116,CC1OC(=O)NC2C[NH2+]CC2O1,0,GDB ChEMBL
221148,C=C1CCC2[NH2+]C(CC(C)O)CC12,0,GDB ChEMBL
124894,CC1(O)C[NH2+]C1C(N)C(C(N)=O)C(=O)[O-],0,GDB ChEMBL
200773,CN1CC(O)C1COCC(N)=O,1,GDB ChEMBL
247492,C#CC(C)(C[NH3+])OC1CC(C)C([NH3+])C1,0,GDB ChEMBL
240821,COC1C(O)C([NH3+])C2(C)CCC12,0,GDB ChEMBL
89153,CCc1cc(C2CCC3(CC3)[NH2+]2)ccc1O,0,GDB ChEMBL
5911,CCC12CCC(C1)C(C(F)(F)F)C(CO)C2,0,GDB ChEMBL
355804,NC(=[NH2+])C1CC([NH3+])C(O)C(C[NH3+])N1,0,GDB ChEMBL
383282,NC(=O)C12CC(CC1O)C(O)C(O)C[NH2+]2,0,GDB ChEMBL
382486,CCC1(C)C([NH3+])C1C(C)C(N)=O,0,GDB ChEMBL
65893,CC12CC(NC(=O)CCO1)C2OS(N)(=O)=O,0,GDB ChEMBL
112446,C#CC12CC1(C)CC(C#N)N(C)C(=O)O2,0,GDB ChEMBL
72009,CC([NH3+])C1CC(C)C([NH3+])C1NCCC#N,0,GDB ChEMBL
298047,CCC1(c2c(Cl)cc(C)cc2Cl)CC1(C)C,1,GDB ChEMBL
340095,COCC1C(NCC[NH3+])C1(C)O,0,GDB ChEMBL
146069,CC(NC(N)=[NH2+])C1C(O)C1OS(N)(=O)=O,0,GDB ChEMBL
331479,CC#CCN1CC(CCOC)NCS1(=O)=O,0,GDB ChEMBL
115703,C#CC1=CCC2C(OC)CC(C)CC12C,0,GDB ChEMBL
151277,C#Cc1c(NC)nc(CC)c(F)c1C,1,GDB ChEMBL
274966,CC(=O)NC1CCN(C(C)=O)C(C)(C)C1,1,GDB ChEMBL
208568,CNC(=O)C1(CC[NH3+])CN=C(CNC(N)=O)N1,0,GDB ChEMBL
152065,CNC(=O)OCCNC1C(=O)C=CC1=NO,0,GDB ChEMBL
221921,CNC(C(N)=O)C(C=O)C(CO)S(C)(=O)=O,0,GDB ChEMBL
277781,CC(C)(O)CCN=C(N)C=O,0,GDB ChEMBL
117387,CC1(O)C(CC#N)C=C(NC(=O)C[NH3+])C1[NH3+],0,GDB ChEMBL
181649,CC(C)(O)C1C2CC(C[NH3+])CCCC21C,0,GDB ChEMBL
344286,C1[NH2+]C2CC3C1C1CC3C2C[NH2+]1,0,GDB ChEMBL
258272,CCC1CC=CC=C2COC1C[NH2+]C2C=O,0,GDB ChEMBL
130858,CCOc1csc2cnc3c(c12)CC[NH2+]C3,0,GDB ChEMBL
262251,COC(=O)C1=CCNS(=O)(=O)C(C)C1=O,1,GDB ChEMBL
263313,CC(=[NH2+])NC1C(O)CC(O)(C(=O)[O-])C(O)C1O,0,GDB ChEMBL
221355,C#CCN(C)CC[NH2+]C1C=CC(C)(C)C1,0,GDB ChEMBL
143780,CCC1N=C(C[NH2+]C)NC1=O,1,GDB ChEMBL
204462,N=C1OC2C(=O)NCC1OCC2O,0,GDB ChEMBL
347029,Cc1cc(CCC2COCC2C)c(C)cc1Br,1,GDB ChEMBL
302336,C#CC1(C(C)(C)OC)C2CC(C)[NH+]1CC2(C)C,0,GDB ChEMBL
119386,NC(=[NH2+])NC1CC(C=O)C2OC12,0,GDB ChEMBL
148369,CCCN=C1OCC2C(O)CN12,1,GDB ChEMBL
27766,CC(CC(O)CO)(C(N)=O)C1(C=N[O-])CO1,0,GDB ChEMBL
312227,CC(=O)c1c(N)c(CO)cnc[nH]c(C)c1O,0,GDB ChEMBL
307533,C#CCC1CCCC(CCC(=O)[O-])C[NH2+]1,0,GDB ChEMBL
383814,COCCC(=CCC1C[NH2+]1)C(C)C,0,GDB ChEMBL
17069,COC(=O)C1[NH+]=C(N)CC1O,0,GDB ChEMBL
9957,CC(C)CC=CC(C#N)CC(N)=[NH2+],0,GDB ChEMBL
168408,N#CC1NC(NCC=O)=NC1CC(=O)[O-],0,GDB ChEMBL
221393,CCC1C2C(=N)OC(COC)C(O)C12C,0,GDB ChEMBL
396130,CCCOC(=O)NC(C)=O,1,GDB ChEMBL
161076,COCCOc1cscc(C=O)c1=O,1,GDB ChEMBL
372762,[NH3+]C12CNC(=O)C1NC(=O)C2,0,GDB ChEMBL
386390,CC1OCC(O)(C(O)CO)C(N)=NC1C(=O)[O-],0,GDB ChEMBL
181608,C#CC(C)C[NH2+]CCC(CC#N)C(C)(C)CC,0,GDB ChEMBL
215259,CC1CCC([NH3+])CC(C(C)CC#N)C[NH2+]1,0,GDB ChEMBL
157452,CCCCCC1CC2C=CCC3C2C3(C)C1,0,GDB ChEMBL
147227,CCC(C)CCC(C)(C)C(C)(C=O)C[NH2+]C,0,GDB ChEMBL
374330,CC(C[NH3+])C1CC(CO)C1,0,GDB ChEMBL
184502,CC(C)(C#CC1(CC[NH3+])CO1)C(N)=O,0,GDB ChEMBL
304376,CCN1C(=[NH2+])C(C)C12CC[NH+](CCO)C2,0,GDB ChEMBL
22052,N#CC1(NC(C=O)C(F)(F)F)CS(=O)(=O)C1,1,GDB ChEMBL
203748,C#CC(C)C1(CCCC)CCC(CCCC)C1,0,GDB ChEMBL
300235,C#CC(O)C(C)[NH2+]C1CC1,0,GDB ChEMBL
65933,C[NH2+]C(CC1CCC(C)(C(C)C)C1)C(C)(C)C,0,GDB ChEMBL
347860,COC1C(C)CC=CNC(=O)C2CC21,1,GDB ChEMBL
207290,Cc1nc(NCC(=O)[O-])c(C(N)C(N)=O)[nH]1,1,GDB ChEMBL
81450,CCN1CCC(C(C)(C)C)[NH+]=C1C,0,GDB ChEMBL
161034,N=C1OC(C(N)=O)C(O)C1C[NH3+],0,GDB ChEMBL
337927,CCc1nc(=[NH2+])[nH]cnc(N)c(O)cc1C[NH3+],0,GDB ChEMBL
84544,Cc1c(Cl)ccc2c1C=C1CC(C)C12,1,GDB ChEMBL
256164,C#CC1(C)NC(C)CC(CC)[NH2+]C1C(C)OC,0,GDB ChEMBL
337131,CCC1CC(=O)N1CCC(C)(O)CCC[NH3+],0,GDB ChEMBL
310298,COc1nc(N)c(NC(N)=[NH2+])nc1N,0,GDB ChEMBL
89133,CC1OC2CC(=O)CC(C2[NH+](C)C)C1(C)C,0,GDB ChEMBL
259104,CNC(=O)C1NC1C1CC(C)CC(C)[NH2+]1,0,GDB ChEMBL
2334,COC(C)CC1NC(=[NH2+])OC1CNC=O,0,GDB ChEMBL
205970,CCC1C=CC(=O)N1CC(C)=O,1,GDB ChEMBL
61561,CCC1(C([NH3+])C(C)C)CCC1OC(C)(C)C,0,GDB ChEMBL
59690,CCC(=O)CC1=CC=C(C)CC([NH2+]C)C1,0,GDB ChEMBL
255498,CC1CC(O)C2OCCOC2C2N=C1NC2=O,0,GDB ChEMBL
277804,Cc1ccocc(CCO)c(N)c(C(C)C)c1,0,GDB ChEMBL
203802,CC1(O)C(C[NH3+])CC2[NH2+]CC(C#N)C21,0,GDB ChEMBL
361774,CC1C2OC(=O)C(O)C=CC1N(C)C2C#N,0,GDB ChEMBL
287059,CC1Cc2nnc(o2)COC(C)C([NH3+])C1,1,GDB ChEMBL
311339,CC1C[NH2+]C(C(=O)NC=O)CC1(O)C#N,0,GDB ChEMBL
30316,CCOC(C#N)C(CS(=O)(=O)NC)=N[O-],0,GDB ChEMBL
235518,Nc1cc(CO)c(F)c(C(O)CO)c1F,1,GDB ChEMBL
129829,CC1C2C(=O)NCC1(O)CN2Cc1cncs1,0,GDB ChEMBL
29448,CCn1ncc(OC)c1C(=O)S(N)(=O)=O,0,GDB ChEMBL
129779,N#CC1C(=O)C2CCOc3cc(Br)cc1c32,0,GDB ChEMBL
248841,Cc1nc(C(N)=O)n(C(N)=O)c1C(N)=O,1,GDB ChEMBL
337185,CN(CC1(CO)NC1C(N)=[NH2+])C(=O)C[NH3+],0,GDB ChEMBL
119927,Cc1cc(F)cc(OC(=O)NCCC#N)c1C,1,GDB ChEMBL
280492,C#Cc1ccc(CC(CC)C(C)C#N)c(Cl)c1,1,GDB ChEMBL
33549,COc1ccnc(C(C)=O)c1C1OC1C,1,GDB ChEMBL
121717,CC[NH2+]C1CC(=O)NC(C[NH3+])C(C)C1,0,GDB ChEMBL
38720,CCC(C)C[NH2+]C(C)C1CC[NH2+]1,0,GDB ChEMBL
26320,CC1[NH2+]C1C1CCCCC1O,0,GDB ChEMBL
345799,COC1OC(=[NH2+])NCCC1NC(N)=[NH2+],0,GDB ChEMBL
318540,CCC12CCOC(C)(C)C(CC[NH2+]1)CC2,0,GDB ChEMBL
299548,COCCN1CC1C(C)(C#N)n1cnnn1,0,GDB ChEMBL
223979,N#CCc1nc(C(=O)[O-])no1,1,GDB ChEMBL
252574,CC(=O)C(C)Cn1ccc2ccc(C=O)cc21,1,GDB ChEMBL
29665,CC(C)(C(=[NH2+])N1CCOCCC1C[NH3+])C(=O)[O-],0,GDB ChEMBL
299171,CCNC(=O)C1C(O)CC1S(=O)(=O)[O-],0,GDB ChEMBL
304276,[NH3+]C1C(=O)NC23C[NH2+]CC(O)C2C13,0,GDB ChEMBL
248630,CC#CCC1(C)CCC(C(C)C)CC1,1,GDB ChEMBL
39704,OCCCNc1nc(CO)ns1,1,GDB ChEMBL
343952,CC1CCC(C(C)(C)C)c2cc(I)ccc21,1,GDB ChEMBL
383789,Nc1cc2c(cc1O)NC=[NH+]C2,0,GDB ChEMBL
355024,CC(CCCC[NH3+])[NH2+]C(C)(C)c1cc(N)no1,0,GDB ChEMBL
41625,CC1(C)C[NH2+]CCCCC(O)CCC[NH2+]1,0,GDB ChEMBL
114365,CCC(C)(CC)CCc1cc(F)cc(F)c1F,1,GDB ChEMBL
221715,N=C(N)N(C=O)C(=O)COC(N)=O,1,GDB ChEMBL
323957,CCCCNC(=O)CC[NH+]1CCC1C,1,GDB ChEMBL
190031,[NH3+]C1C(C(=O)[O-])CCS(=O)(=O)NC2C(O)C12,0,GDB ChEMBL
281697,Nc1cnc2cc(F)cnn12,1,GDB ChEMBL
70933,CCCCC1COC(C#CC(C)(C)O)=N1,1,GDB ChEMBL
339942,Cc1cc(=O)c(NC(=O)NC(=N)CCO)co1,1,GDB ChEMBL
332679,C#CC(C[NH2+]CC1CC1)c1ccccc1Cl,0,GDB ChEMBL
385633,C#CC(CCO)CC(C)(C)CC(=O)CC(C)=O,0,GDB ChEMBL
362661,CCC1=CC2CCC(C2)OC1,1,GDB ChEMBL
84510,CC(OCCc1onc(N)c1C[NH3+])C1CC1,0,GDB ChEMBL
156148,CCCC1OCC1C(C#N)C([NH3+])C(C)C,0,GDB ChEMBL
35714,CC(CS(=O)(=O)[O-])N(C)C(N)=O,0,GDB ChEMBL
54069,N#CCNC(=[NH2+])NC(N)=[NH+]CCO,0,GDB ChEMBL
386573,CN1CCOC(=O)C(N2CC2)C1C[NH3+],0,GDB ChEMBL
148808,COC(C)C1C2CCCC(=O)OC1C2,0,GDB ChEMBL
200555,CCC1C2CC2CC1(C)C1CCCCC1C,0,GDB ChEMBL
351166,N#CC1C(=O)NC(=O)N2CCC12,1,GDB ChEMBL
325739,C[NH2+]CC(C(N)=[NH2+])C1CN1S(C)(=O)=O,0,GDB ChEMBL
251464,CC(C)C1C(C)C(C)C2CCCCC21,0,GDB ChEMBL
210773,Cc1c(C(N)=O)cc(Cl)nc1Cl,1,GDB ChEMBL
385666,NC(=O)C12CCOC(CO)C(COC1=O)C2=O,0,GDB ChEMBL
1110,CC1CC[NH+]2CCC1C(C)CC1CCCC12,0,GDB ChEMBL
64061,CC1NC(=O)OC(CC(N)=O)C1(O)C1CO1,0,GDB ChEMBL
44305,CNC1C2OCC(O)(C1[NH2+]CC(=O)[O-])C2OC,0,GDB ChEMBL
208316,CC1(C)CCCCC(C[NH3+])C1,0,GDB ChEMBL
33835,C#CCCc1c(C[NH3+])ccc2c1CC(C)(C)C2,1,GDB ChEMBL
397937,CCC1(CCO)OC(=O)C(C)C1=NO,0,GDB ChEMBL
380564,Cc1cc(Cl)ccc1CCCCC(C)(C)C,1,GDB ChEMBL
136171,CCC1(C)CC=CCC(O)C1,1,GDB ChEMBL
161362,CCNC(=O)C1(C[NH3+])CN1,0,GDB ChEMBL
391435,NC(=O)NCC(O)c1cn[nH]c1,1,GDB ChEMBL
334012,CC(C)C1CC(C[NH3+])c2ccsc2C(O)C[NH2+]1,0,GDB ChEMBL
288719,CCC(C)C1CCCC2CC3CCCC3(C)C21,1,GDB ChEMBL
313776,COC(=O)CC(C=NO)NC1CC1C(N)=[NH2+],0,GDB ChEMBL
383320,C#CC1CC(C)C(C(CC)CCC)C1(C)CC,0,GDB ChEMBL
284849,C[NH2+]C12CC1C(=O)NC(=O)C(N(C)C)C2O,0,GDB ChEMBL
115886,CCC1C(C)CC(CC[NH3+])C(C)C1CC,0,GDB ChEMBL
293795,CNC(=O)CNC=[NH+]CCCO,0,GDB ChEMBL
5299,CC1CCC(C)(O)C2[NH2+]CCC(C)C2OC1=O,0,GDB ChEMBL
210177,CC1=C(Cc2cccnc2)C(C)[NH2+]C1,0,GDB ChEMBL
275687,CC#CC1(CCC)CCC(C(C)CC)C1,1,GDB ChEMBL
220148,CC12CCNC(=O)C1C(=O)O2,1,GDB ChEMBL
250999,CCc1c[nH]ccc(C)c(C)cc1NC(C)C,0,GDB ChEMBL
368207,O=C([O-])C1CC(CO)OCO1,1,GDB ChEMBL
190400,Cc1nc(O)sc1C(=[NH2+])NCC(C)(C)CO,0,GDB ChEMBL
109204,C#CC1(CC#N)CC([NH3+])C[NH+](C)CCC1CC,0,GDB ChEMBL
45028,C[NH2+]C1CCC2C(C#N)OCC1C2C,0,GDB ChEMBL
285138,CC12CC([NH3+])C(CN(C(N)=[NH2+])C1C(N)=O)N2,0,GDB ChEMBL
322873,CCCc1cc(C(C)C)c(CCC)c(Br)c1Br,1,GDB ChEMBL
112842,Cc1snnc1N(C)CCC(C)C(=O)[O-],1,GDB ChEMBL
161095,CC(O)C1CC(C)C2OCC2[NH2+]1,0,GDB ChEMBL
358284,C#CC1CC1C([NH3+])C(O)CO,0,GDB ChEMBL
157443,CC1CCCC2=CCCC21C,1,GDB ChEMBL
203116,NC(=O)CNC(=O)C1(O)CC1,1,GDB ChEMBL
105122,O=CN1CCS(=O)(=O)N(CCC(=O)[O-])C1=O,1,GDB ChEMBL
259468,C#Cc1c(I)c(C([NH3+])CC)cc2[nH]ccc12,0,GDB ChEMBL
112449,CNc1cccc(C(C)C)c1I,1,GDB ChEMBL
87666,C#CC1CCC(C[NH3+])NC(C[NH3+])CC1,0,GDB ChEMBL
138384,CCCC1(C)CCC2C(CCCO)CC(C)C21,0,GDB ChEMBL
358561,CCC1C2CCCC1[NH2+]CC(CO)C2,0,GDB ChEMBL
249517,CCC(C)C[NH2+]C1C(C)CC1(C)OC,0,GDB ChEMBL
118106,CC(COCCC#N)=NO,1,GDB ChEMBL
201058,[NH3+]CC1(OC(=O)c2ccnc(Cl)c2)CC1,0,GDB ChEMBL
129849,CNC(=O)C1C=CC([NH3+])C=CC1C,0,GDB ChEMBL
201711,CNC1C(C)C([NH3+])CC(C)CC1[NH+](C)C(C)C,0,GDB ChEMBL
305828,CC1CC(C2C(=O)NC(=O)C(C)CN2C)[NH2+]1,0,GDB ChEMBL
339123,N#CCCOc1sc(C(N)=O)nc1C(=O)[O-],0,GDB ChEMBL
180019,C[NH2+]C(C)C(N)C1CCC2(CCCN2C=O)C1,0,GDB ChEMBL
210272,CCC1(CC(O)CC2CC(C)C2)CC1,1,GDB ChEMBL
385361,C=CC1C[NH2+]C(C)C(C2CC2)C1C,0,GDB ChEMBL
197426,C[NH2+]C1C(CO)N(C)C(C)C1(N)C(=O)[O-],0,GDB ChEMBL
351134,NC1=[NH+]CC2CC2(CC(=O)[O-])O1,0,GDB ChEMBL
344335,CCCC1CC2(C)CC1C(C)C1CCCCC12,0,GDB ChEMBL
234429,CCCCC1(C)CCC([NH3+])C1([NH3+])CC(C)CC,0,GDB ChEMBL
23430,CCc1cc(I)ccc1C(C)(CC)C(C)(C)C,1,GDB ChEMBL
183459,CCC(O)c1ccc(C)s1,1,GDB ChEMBL
44561,CC1=CC(CO)OC(C#N)CCC(C)C1,0,GDB ChEMBL
372601,CC(C(N)=[NH2+])C1(C#N)NCCC(O)C1CO,0,GDB ChEMBL
210741,CC1CCCC2(CCO)[NH2+]C12,0,GDB ChEMBL
122902,COC1CC2OC(C)OC2C(CO)O1,1,GDB ChEMBL
230228,COC(C(C)O)C1OC1C[NH3+],0,GDB ChEMBL
53877,C#CC12CCC(CC1)CC(CCC)C2,0,GDB ChEMBL
55562,COC(=O)CC1COC2(CC[NH3+])CC2(C)C1,0,GDB ChEMBL
182226,CCC(O)(C(=O)[O-])C(O)C(N)=O,0,GDB ChEMBL
340005,CCC1CC(=O)NCC(O)C1C1(C)CCOC1,0,GDB ChEMBL
169463,CCC(C)CCC1CC=C(C)CC1[NH3+],0,GDB ChEMBL
189800,Cc1nccc(C(C)O)c1C,1,GDB ChEMBL
300909,CCC(C)CCC#CC(C)(C)O,1,GDB ChEMBL
374367,C#CCCC1(C)CC(CC)c2cccc(Br)c21,0,GDB ChEMBL
26031,CN(CC(=O)c1cscn1)C(N)=[NH2+],0,GDB ChEMBL
378108,C#CC(NCC=CCOC)C(N)=O,1,GDB ChEMBL
34148,OC1CC2CC1C(C1=[NH+]CCN1)O2,0,GDB ChEMBL
330746,CCn1nc(NC(N)=O)c(OC)c1O,1,GDB ChEMBL
38752,NC(=[NH2+])NC(=NCCO)NC(N)=O,1,GDB ChEMBL
244339,[NH3+]C1CCCCCC#CC2COCC12,0,GDB ChEMBL
117384,CCc1cc(CC=O)n(C)c1C[NH2+]CC(N)=O,0,GDB ChEMBL
37319,CC(C)N1CCC2C(=O)C=C(NC1=[NH2+])C2O,0,GDB ChEMBL
368501,CC(C)Nc1cn(CC(=O)NC(=N)C[NH3+])cn1,0,GDB ChEMBL
47354,C[NH2+]C1(C(C)COC)CCC1,0,GDB ChEMBL
165650,CC(CO)C1(N)C(=O)NC(=O)C(O)C(O)C1[NH3+],0,GDB ChEMBL
13908,C=CCC1C2C=C(C)CC1(C)CC2,0,GDB ChEMBL
317731,COC1CC2CCC(C)C3C(C[NH2+]C1C)N23,0,GDB ChEMBL
125565,CCCC1(CC(F)(F)F)C2CCCCC21,1,GDB ChEMBL
77296,CC([NH3+])CCC1(C)CC=CC1CO,0,GDB ChEMBL
163360,CCCC1(C)CC2CC2CC1C(F)(F)F,0,GDB ChEMBL
246930,CC(N=C1OCC(O)C1NC(N)=[NH2+])C(O)C[NH3+],0,GDB ChEMBL
62789,COCC(C=O)C(=[NH2+])NCC(=O)[O-],0,GDB ChEMBL
323298,CCc1cn(C)c(-c2ccc(Br)cc2)n1,1,GDB ChEMBL
47782,Cc1oncc1C(C)C(=O)[O-],1,GDB ChEMBL
44625,NC(=O)C1C(O)C2(O)CN1C2,1,GDB ChEMBL
124186,CC1CC2=CCCC2(C(C)CC[NH3+])C1,0,GDB ChEMBL
27805,COC(=O)NC(=N)C([NH3+])C(C)O,0,GDB ChEMBL
247543,C#Cc1ccccc1C(CC#CC)C(C)C,1,GDB ChEMBL
131867,O=C1NCC(O)(Cc2ccoc2)CN1,1,GDB ChEMBL
294759,N#CCC(Cc1nn[n-]n1)NC(N)=O,0,GDB ChEMBL
160829,CCC(CC)C[NH2+]CC1=CCOC1,0,GDB ChEMBL
142569,CCCC1C2(C)CC[NH2+]C(C2)C1(O)CC,0,GDB ChEMBL
76726,COC1OC(C)C2CC1C2C(C)C(N)=O,0,GDB ChEMBL
77719,CCc1cc(C)c2c(CC=O)c(N)ncc2c1,1,GDB ChEMBL
188118,Cn1cc([N+](=O)[O-])c2c(N)nc(O)nc21,1,GDB ChEMBL
214884,C#CCC1CC2CC1C(C)C[NH2+]2,0,GDB ChEMBL
23931,C[NH2+]C1C(O)CC2(C(=O)[O-])C([NH3+])C12C,0,GDB ChEMBL
352811,CCCC12CCCC1[NH2+]C(C)CC(C)C2,0,GDB ChEMBL
374160,CC1CC2[NH2+]CCC=CC(O1)C2O,0,GDB ChEMBL
143806,C#CC(C(O)C[NH3+])C(C)(CC[NH3+])COC,0,GDB ChEMBL
2377,CCCC(C)C1=CCC(CC)(CC(C)C)C1,0,GDB ChEMBL
334721,NC(=O)C12COC(CO)C1CC(O)C2,0,GDB ChEMBL
292662,CC1C2CCC(O)C3COC(C2)C13,0,GDB ChEMBL
299564,CCC1c2c(Br)cc(C)cc2CC1(C)CC,1,GDB ChEMBL
312892,COCC=C1CC2CCCC(C1)[NH2+]2,0,GDB ChEMBL
271310,CCOC(=O)c1ncc([N+](=O)[O-])s1,1,GDB ChEMBL
197038,CCC(O)C(O)c1nc(N)nc(N)n1,1,GDB ChEMBL
47788,CCOC1=NCC(C)OC(CO)C(C)OC1=O,0,GDB ChEMBL
249817,O=C1[N-]S(=O)(=O)C2C[NH2+]CCC2N1,0,GDB ChEMBL
354149,CC(=O)N1CC2(O)CC1CC([NH3+])C1NC12,0,GDB ChEMBL
140306,CC[NH+]=C(N)CC(C)C(C)(C)OC(C)C,0,GDB ChEMBL
317697,CCC1C(C(F)(F)F)CC2C(C)CC(C)(C)C21,0,GDB ChEMBL
362199,CCCOC(=O)C(O)C(O)C(C)(C)O,1,GDB ChEMBL
282189,CC[NH2+]C1CCC2(O)CC(C=NO)C(=O)C12,0,GDB ChEMBL
176506,Cc1ccc(C23CCCC2C3C)cc1Br,1,GDB ChEMBL
83073,CC(C)C(=NO)C1(CCO)CN(C)C1C#N,0,GDB ChEMBL
54843,C=CCC(C)C1CCCC(CC)[NH2+]1,0,GDB ChEMBL
208381,C[NH2+]CCCCC[NH+]=C1NCC2CC1([NH3+])C2,0,GDB ChEMBL
246801,N=C(N)N1CCNC(=O)N(C=O)C1=O,1,GDB ChEMBL
133330,Cn1nc2c3c1CC[NH+](C)CC3CCC2(C)C,0,GDB ChEMBL
232045,Cc1nc(N)n2c1CC(C[NH3+])C2=O,0,GDB ChEMBL
118706,CC(=O)NC1CCC2C=CC1O2,1,GDB ChEMBL
346880,CCC12CC(NC1=O)C(=N)O2,0,GDB ChEMBL
214858,NC1=[NH+]C(CC(CO)NC(=O)C[NH3+])C(=O)NC1,0,GDB ChEMBL
252631,CC12C[NH2+]C(COCCC(=O)[O-])C1(O)C2,0,GDB ChEMBL
331184,COC1CC23CNC(=O)C2C1[NH2+]3,0,GDB ChEMBL
63158,COC1CC([NH3+])C(O)C(O)CC1O,0,GDB ChEMBL
280984,CN1CC(N)C[NH+]=C(N)NC1=O,0,GDB ChEMBL
292268,CC(O)C(O)COC(=O)CCO,1,GDB ChEMBL
292242,NC(=O)C1CC2NC(=[NH+]CCC(O)C2O)N1,0,GDB ChEMBL
236622,CC1CCC(C(O)CC(CO)C(F)(F)F)[NH2+]1,0,GDB ChEMBL
122990,CS(=O)(=O)NC(CC#N)CNC=O,1,GDB ChEMBL
18938,CC(C)(C(=O)[O-])C1C(=[NH2+])NCC12CCCC2,0,GDB ChEMBL
165608,C(C#Cc1cccs1)#CC[NH2+]C1CC1,0,GDB ChEMBL
40304,CCCC(C)CC#CC1CCCCCCC1,1,GDB ChEMBL
331469,CC1CC2CN2C(N)=[NH+]CCO1,0,GDB ChEMBL
262520,CC1OCOC(C2CCCCC2)C1C,1,GDB ChEMBL
160806,COCC1[NH2+]C2CN(C=O)C3C1C23,0,GDB ChEMBL
334450,C#CCCC(CC)(C[NH3+])Cc1cccc(N)c1,0,GDB ChEMBL
310292,CC(C#CC1CCC([NH3+])C1)CO,0,GDB ChEMBL
169077,CC(C)(O)C(=O)COC(=O)CC1CCC1,1,GDB ChEMBL
109179,COC1(C2CCCC2)CC1[NH3+],0,GDB ChEMBL
251040,CNC(=[NH2+])OCC1(C[NH3+])CC1,0,GDB ChEMBL
323174,CCOCC([NH3+])C1(CCO)CC1,1,GDB ChEMBL
12720,[NH3+]C1C2C(CC(=O)[O-])C3COC12C3,0,GDB ChEMBL
262249,CS(=O)(=O)CCCCC1C=CC(=O)C1C#N,0,GDB ChEMBL
32039,CC1CCC(C)(C[NH3+])C(C)[NH2+]CC1OCC#N,0,GDB ChEMBL
368475,CCN=C1CC2CC3CC(C)C[NH+]3C2CO1,0,GDB ChEMBL
2091,C#CC1C(C)C1C1CCCc2ccccc21,0,GDB ChEMBL
8668,CCC12CCC(O)(CC1)C(CC(C)C)C(C)[NH2+]2,0,GDB ChEMBL
42575,CCC1CCC2(COC)CCC(OC)C[NH+]12,0,GDB ChEMBL
334742,COC(CNC(C)=O)CC(CO)=NO,1,GDB ChEMBL
204161,O=C1C2CNC1C(C(O)CO)O2,0,GDB ChEMBL
64643,CCc1cc(C)c(C#N)c(C(C)(C)C)c(=N)n1,0,GDB ChEMBL
296098,C[NH2+]C(CN(C)C)C(C)C(N)=O,0,GDB ChEMBL
307583,[NH3+]C1CC23CC1OC2C3C(=O)[O-],0,GDB ChEMBL
367616,CCC1CC(OCC(C)(C)O)C1,1,GDB ChEMBL
242983,CC(C)C1CCC=CCC1C#CC(C)(C)C,0,GDB ChEMBL
85051,CC1(O)C[NH+]2CCCc3[nH]ncc3C1CC2,0,GDB ChEMBL
75042,C[NH+](C)C1C2C(=O)OCC21O,0,GDB ChEMBL
377334,CC1(O)C(CNC(N)=[NH2+])OC2CC([NH3+])C1O2,0,GDB ChEMBL
89348,CC1CCC2OCC2N(C)CC1=O,0,GDB ChEMBL
233421,CCC1C(C)CCC2CC3CCCC(CC3)C21,0,GDB ChEMBL
188531,COC(C(C)C)C1CCC2(C)CCC(C1)C2,0,GDB ChEMBL
216511,CC#Cc1cc(CC2CC2)cc(Cl)n1,1,GDB ChEMBL
115451,CC1CC(c2cc(Br)cnc2CC#N)CC1=O,1,GDB ChEMBL
94652,CC1C=CC(C(F)(F)F)COC(=O)N1,1,GDB ChEMBL
348001,CC(C#N)C1CCC2CCC1[NH+]2C,0,GDB ChEMBL
356833,N#Cc1ccscc(N)c2c(c1)C=CCO2,0,GDB ChEMBL
383911,C#CC(CC(C)C(CCC)C([NH3+])CC)C(C)C,0,GDB ChEMBL
61665,C[NH+]=C(NCCO)NCc1ccoc1,0,GDB ChEMBL
386460,CC1([NH3+])CC=CC=C(C(N)=O)C1,0,GDB ChEMBL
80331,COC(=[NH2+])NC(C)(CCO)CS(=O)(=O)[O-],0,GDB ChEMBL
124213,CCN(C(N)=O)C1CC(=O)OCC(CO)C1O,0,GDB ChEMBL
264971,CC#CC1CC12CN(C)CC(=O)CC2O,0,GDB ChEMBL
127000,CNC(=O)NCC(C#CCO)C[NH+](C)C,0,GDB ChEMBL
227957,CC=C1C(C(=O)[O-])OC1C(=O)NC,0,GDB ChEMBL
44668,CCc1nc(C#CC[NH3+])c(C)nc1N,0,GDB ChEMBL
204391,NS(=O)(=O)OCC1COC(C(=O)[O-])C1,0,GDB ChEMBL
128316,CCC1C2C1C1(C)CC(C)CC2(C)[NH2+]1,0,GDB ChEMBL
235524,CC1=CC2C(C)CCCC(C)CC1C2C,0,GDB ChEMBL
348688,CC1=CCCC=C(C)CC(C)C#CC(C)C1,0,GDB ChEMBL
38223,O=C([O-])CC1(n2cnnn2)CC[NH2+]C1,1,GDB ChEMBL
173122,CCN(C=[NH+]C)C(C)(C)CCO,0,GDB ChEMBL
195242,Cn1c(C2CC2)nccc1=O,1,GDB ChEMBL
19621,CC1=CC2CC(C)CCC(CCCC1)C2C,0,GDB ChEMBL
182514,CC1N(C(=O)C(N)=O)C12CCCC2,0,GDB ChEMBL
278854,NC(=[NH2+])NCC(=O)NC(C[NH3+])C(N)=O,0,GDB ChEMBL
19379,CC1=NCC(=O)N1C1(CC[NH3+])CC1,0,GDB ChEMBL
169485,N#CC1CNCc2c(Cl)ccnc21,0,GDB ChEMBL
352235,C#CCC(C)(CC#C)C(OC)C1CCCCC1,0,GDB ChEMBL
362829,CC#Cc1ccc(CCCC)cc1Cl,1,GDB ChEMBL
37285,N=C1NC(C(N)=O)C(=O)C(O)CO1,0,GDB ChEMBL
392244,CC#CC1(CCC)C=CCCC1C,0,GDB ChEMBL
44579,CC#CC1(O)CCCC(C)=CCC(CC)C1,1,GDB ChEMBL
29011,O=C1CC(O)C2[NH2+]C(CN1)C2S(=O)(=O)[O-],0,GDB ChEMBL
239978,CCC1(C)C(=N)NC(=O)C1CNCC#N,0,GDB ChEMBL
203476,CC=CCC(C)=CCOCC(C)C,1,GDB ChEMBL
274345,CCC(CCCCC[NH3+])Cc1c(O)coc1[O-],0,GDB ChEMBL
230431,CC1CC2CC(C)(C)CC1C1CC(O)CC21C,0,GDB ChEMBL
330776,CC1C2CC3CC(C)(CO3)C[NH+]1CCCC2[NH3+],0,GDB ChEMBL
225182,CCC1(C#N)CNC(C[NH3+])C2CC3CC3N21,0,GDB ChEMBL
48719,CC1=CC([NH3+])C2(O)CC[NH2+]CCN(C1)C2,0,GDB ChEMBL
259710,CNC(=O)C1OC2C1C(O)CNS2(=O)=O,0,GDB ChEMBL
26999,CC1=CC2CC=CCC(CCC1)C2,0,GDB ChEMBL
193741,CC(C)C1CN(C)C(C#N)C23CC2COC13,0,GDB ChEMBL
113481,CC1C(CO)C2CCC2C[NH+]1C,0,GDB ChEMBL
196743,CC1CCCC(C2CC2C#N)C1,1,GDB ChEMBL
321414,CNC(=N)N(C=O)C1(COC(N)=O)COC1,1,GDB ChEMBL
111881,NC(=O)C[NH2+]C1CCC2COS(=O)(=O)NC21,0,GDB ChEMBL
202784,CCc1ccc(C)c(CC2CC2)c1Cl,1,GDB ChEMBL
127223,CCC(CC)CC1C([NH3+])C2CC2C(=O)N1C,0,GDB ChEMBL
234479,O=c1[cH-]oc2cccnc12,0,GDB ChEMBL
209675,Cc1c(O)ccnc1S(=O)(=O)CCN(C)C,1,GDB ChEMBL
290554,CC1(C#CCO)C=CCCC1=O,0,GDB ChEMBL
62090,C=CCN(C(N)=[NH2+])C(C)C(CO)=N[O-],0,GDB ChEMBL
193219,CN(C)C(=O)C(O)C1C(O)C1CO,0,GDB ChEMBL
271053,[NH3+]C1C2C(c3ccsc3)CC(O)CC12O,0,GDB ChEMBL
305460,C#CCC1CC2CC1(C(C)CC)CC(CC)[NH2+]2,0,GDB ChEMBL
197054,CC(C)OCC1(C)C([NH3+])C(O)C(O)C1O,0,GDB ChEMBL
214772,CCC[NH2+]CC(=O)n1nccc1N,0,GDB ChEMBL
136057,C#CCC([NH3+])C1C(C(=O)[O-])CCc2cncn21,0,GDB ChEMBL
275505,C#CC1CCNC(CCC)C[NH+](CC(C)C)C1,0,GDB ChEMBL
141927,CCC(OC)C(CS(=O)(=O)CCC#N)[NH2+]C,0,GDB ChEMBL
115024,COCC(C(=O)[O-])n1c(N(C)C)nn(C)c1=O,0,GDB ChEMBL
61248,Cc1ccc2c(c1)C1CC1(C)CC2,0,GDB ChEMBL
16790,CCC[NH2+]C1CC1(CC(C)C)NC,0,GDB ChEMBL
95603,COc1cc(CO)c(C)c(C(C)C)c1Cl,1,GDB ChEMBL
81433,CC1CN(C)CCCc2cc(cnc2I)C1[NH3+],0,GDB ChEMBL
42221,Cn1cc2c(n1)NC1CN2CC2(CC2)C1,1,GDB ChEMBL
140097,CCC(C)(C)C1C=CC=CC=CC1C,0,GDB ChEMBL
156105,CNC(=O)CC1(C)C=CC(=O)OCOC1,1,GDB ChEMBL
35483,CCc1cc(CO)c(C[NH2+]C)[nH]1,0,GDB ChEMBL
334634,CC1=CCC2CC(=O)NC3COC3C(O)C12,0,GDB ChEMBL
26463,CC1(O)C(=O)NCCNS(=O)(=O)C2C(O)C21,0,GDB ChEMBL
84265,NC(=[NH2+])NCCC(=O)NCc1nnsn1,0,GDB ChEMBL
6004,C#CC1CCCCC2CCC(CCC1C)[NH2+]2,0,GDB ChEMBL
230234,C[NH2+]CC1CNC(=O)CN1C(N)=[NH2+],0,GDB ChEMBL
234873,[NH3+]Cc1csnc1OCCO,0,GDB ChEMBL
99641,CCC1C(=NC2CC2)OC(C)C1[NH3+],0,GDB ChEMBL
285083,CN1CCC2(CC=CC1=O)CC2,1,GDB ChEMBL
71402,C[NH+](C)C1CCC1(N)C(=O)[O-],0,GDB ChEMBL
392531,CCc1cnc(C#N)cc([O-])c1=[NH2+],0,GDB ChEMBL
61772,CC1=CC(N)=[NH+]CC(C([NH3+])CC(N)=O)NC1,0,GDB ChEMBL
175570,C#CC(C[NH3+])(OC(C)C)C(C)C,1,GDB ChEMBL
3921,CCc1cc2c(nc1C=O)C[NH2+]CCC2C,0,GDB ChEMBL
292299,CN(C(=O)N1CCS(=O)(=O)C1=N)C1COC1,1,GDB ChEMBL
279226,C[NH2+]C(CC[NH3+])C1(COC)CNC(=O)C(C)O1,0,GDB ChEMBL
362074,CCC1(C2=CCCCCC(C)(C)C2)CC1,1,GDB ChEMBL
367656,C=C(C)C(C#CCC)CNC(N)=[NH2+],0,GDB ChEMBL
304084,COC1CC2CC=C(CO)CC23[NH2+]CC13C,0,GDB ChEMBL
244558,CCCCC1(CO)C=CCCC1(C=O)CC,0,GDB ChEMBL
334773,C=C1Cc2cnccc2C(O)C1O,1,GDB ChEMBL
397047,COC(CC(C)C)C1CC(CC(C)C)CC1C,0,GDB ChEMBL
234993,CC(C)C(=[NH2+])NCCS(=O)(=O)[O-],0,GDB ChEMBL
112763,CCC1(C)CC2OC2(C(=O)[O-])CC1[NH3+],0,GDB ChEMBL
70966,CN1CC2OC2(CCO)C=CNC1=O,0,GDB ChEMBL
177133,NC(=O)C1CC2OCC([NH3+])C(O2)C1O,0,GDB ChEMBL
355318,CCCN1C(C)CC2([NH+](C)C)CCC1C2,0,GDB ChEMBL
20523,N#CC1OCCC([NH3+])C2CCCC1N2,0,GDB ChEMBL
84261,COC1=NC(C[NH3+])COC(=O)N1C,0,GDB ChEMBL
119235,CCC1C(O)C(CC(C)O)C(C)(C(N)=O)C1O,0,GDB ChEMBL
338259,C#CCCC(CC(C)CCC)n1ccc(C)c1,0,GDB ChEMBL
369338,CCCCc1c[nH]c(C(C)(C)CCO)c1,1,GDB ChEMBL
235714,CC(C)CC1C(C)C2CC2(C(C)C)C[NH+]1C,0,GDB ChEMBL
281953,CCC1([NH3+])CC1N(C(=N)N(C)C)C(=O)OC,0,GDB ChEMBL
343241,C[NH2+]C1C=C(C)CC(O)CC1,0,GDB ChEMBL
115749,CC(=[NH2+])NC1C(O)C1(OCC(=O)[O-])C(N)=O,0,GDB ChEMBL
119429,COC(=O)C1CC2([NH3+])C(O)CC1(C)C2N,0,GDB ChEMBL
165916,C#CCC([NH3+])COCCOC,0,GDB ChEMBL
222559,C#CCCC(C)C1(C=O)CCC1,0,GDB ChEMBL
334685,COC(CC(=O)[O-])C([NH3+])C1CC(CO)[NH2+]C1C,0,GDB ChEMBL
61890,C#CC(C)(CC(C)C)c1cc(C)ccc1CC,0,GDB ChEMBL
348830,CC(C)CC1(C)CCCCC1(C)C,1,GDB ChEMBL
236528,CC1CCC(C)(C)OCC(C[NH3+])OC(=N)C1,1,GDB ChEMBL
333087,CC(=O)c1c([N+](=O)[O-])c(N)c([O-])c2[nH]nnc12,0,GDB ChEMBL
91230,C#CC1(C)C=CC(c2ccc(Cl)cc2C)C1,0,GDB ChEMBL
48184,NC(=[NH2+])C1NCC1CC([NH3+])(CO)CCO,0,GDB ChEMBL
50957,N#CC(C(=O)[O-])C(O)(CO)C(N)=[NH2+],0,GDB ChEMBL
51346,CCC(CO)C(C)(C(N)=O)C1CCC(OC)C1,0,GDB ChEMBL
151191,CC1[NH2+]CC(C#N)CC=C1C(=O)[O-],1,GDB ChEMBL
42591,CC1CCC2(C)CCCCC(C)C2C(C)C1,0,GDB ChEMBL
73841,CCC1C(C)CC2OC2(C)C1O,1,GDB ChEMBL
345478,CCCC1C2=CCC(C)C2CC(C)C12CC2,0,GDB ChEMBL
249815,[NH2+]=CNCc1cnc(C=O)cc1NC1CC1,0,GDB ChEMBL
63138,C#CC([NH3+])C1C(C[NH2+]C)C1C(C)O,0,GDB ChEMBL
53076,Cc1nc2snc(C(C)CO)c2c(=O)[nH]1,1,GDB ChEMBL
363115,CC[NH2+]C1(C)CC1CS(C)(=O)=O,0,GDB ChEMBL
157069,N=C1NC(=O)C([NH3+])CC(CO)N1,1,GDB ChEMBL
175884,CC(Cc1nn(C)c(=N)s1)C(N)=O,1,GDB ChEMBL
204487,N=C1NCC(O)C(=O)N1,1,GDB ChEMBL
13830,CC(O)C(C#CC1NC1(C)C)CC[NH+](C)C,0,GDB ChEMBL
130579,C[NH2+]CC(N)(C(=O)[O-])C(COC)S(N)(=O)=O,0,GDB ChEMBL
124889,CC(O)C1[NH2+]C2CC1(C)CC2O,0,GDB ChEMBL
386209,CC1Cc2c(ccc(O)c2Cl)CC[NH2+]C1CO,0,GDB ChEMBL
169407,COC(=O)C1C=CC2OC1CC2OCCO,0,GDB ChEMBL
246820,C[NH2+]CCC1OC(C)(C)C([NH3+])C12CC2,0,GDB ChEMBL
191275,CCCC(CC#CC[NH3+])CCOC,0,GDB ChEMBL
226230,CC(C)CC1CNC(CCC#N)(C(C)[NH3+])C[NH2+]1,0,GDB ChEMBL
372773,CCC(C[NH3+])COC(C[NH3+])C[NH3+],0,GDB ChEMBL
375723,CC(C)C(C=O)C1(c2ccn(C)n2)CC1,1,GDB ChEMBL
238142,Cc1ccc(I)c2c1CCN2C1(C#N)CC1,1,GDB ChEMBL
64648,C#CCCCC(=C)C(C)OC(C)C,1,GDB ChEMBL
222177,CCC1CC(O)C2CC1C(C)(C)C21CC1,0,GDB ChEMBL
314971,Cc1[nH]nc2c1C(=O)OCO2,1,GDB ChEMBL
9877,CCCC12OC1C#CC[NH+](C)CCCC2C,0,GDB ChEMBL
342390,C#CCC1CCCCC=C(C)CC1,0,GDB ChEMBL
87051,CCCc1cc(C[NH3+])ncc1C(C)(C)C,0,GDB ChEMBL
324301,C[NH+]=C(N)OC1(CC[NH3+])CC1NC(=O)OC,0,GDB ChEMBL
323188,NC(C[NH3+])C1NC(=[NH2+])CC(O)C1C(=O)[O-],0,GDB ChEMBL
39675,C#Cc1ncc(C(C)C)c(C(C)CC)c1CC,1,GDB ChEMBL
124175,O=C([O-])C12CC(C1)CS(=O)(=O)[N-]C2=O,0,GDB ChEMBL
31779,CC#CCC(C)C1N(C)C1(C)C(=O)NC,0,GDB ChEMBL
120000,CC1=CCCC2C=C(C1)C(C)CC(=O)N2,0,GDB ChEMBL
341161,COC1(CO)CCCC1,1,GDB ChEMBL
214918,C#CC(CC)Cc1ncc(C(F)(F)F)cc1C,1,GDB ChEMBL
99559,CCCc1cc2c(cn1)C(C)(C)C(CC[NH3+])C2,0,GDB ChEMBL
281841,COCCC1(C)CN2CC2C1(C)[NH+](C)C,0,GDB ChEMBL
64289,COC1CC2CC([NH3+])C(C(=[NH2+])N(C)C2)C1OC,0,GDB ChEMBL
346528,CCC(CC[NH3+])C1COCO1,0,GDB ChEMBL
314961,C#Cc1c(C)c(N(C)C)cc2ccc(C)cc12,1,GDB ChEMBL
81453,NC(=[NH2+])CN1C(=O)CNC(=O)NC2CC21,0,GDB ChEMBL
115948,CCCC(C)CCC1C[NH+](CC)C(C)(C)CO1,0,GDB ChEMBL
324252,N=C1OCCCCC(NC=O)CC2C[NH2+]CC12,0,GDB ChEMBL
4738,N#CC(N)C(N)C(=O)NCCO,1,GDB ChEMBL
386220,C#CCC12CCC(C1)C(C)(C)C2CCCCC,0,GDB ChEMBL
356508,CCCCCCC1(O)CC=CC1,1,GDB ChEMBL
16004,CCNC1(C(N)=[NH2+])C(OC)C1(O)CO,0,GDB ChEMBL
317366,CC1(C)CC([NH3+])(CNC=O)C(C#N)C1CC[NH3+],0,GDB ChEMBL
74355,C#CC(N)C(C#N)CCn1nc(C)nc1NC,0,GDB ChEMBL
104499,Cc1cccc(Br)c1CC1C=CC2CC12C,0,GDB ChEMBL
126951,CCC(CC)c1c(Cl)cc(C)c(O)c1CO,1,GDB ChEMBL
680,CCC(C)C1CC2CC(O)C(CO)C1CC2C,0,GDB ChEMBL
26911,[NH3+]C1C2CC(C(=O)[O-])C(C2)C1O,0,GDB ChEMBL
345398,CCC1CC(C)(CC(O)C[NH3+])C1,0,GDB ChEMBL
309151,CCOCCC(=O)OC(CCO)C(C)(C)C=O,1,GDB ChEMBL
299185,CC1CC=CCC2=CC[NH2+]C21,0,GDB ChEMBL
190021,CCCC1CCC=CCC=CC1O,1,GDB ChEMBL
195486,C=C(C(C)C)C1C[NH2+]CCCOC1,0,GDB ChEMBL
108746,Cc1cc(NC=NC(C)C)no1,1,GDB ChEMBL
334076,CCCCC([NH3+])CC(C)c1ccc(I)cc1C,0,GDB ChEMBL
222901,CCCCC1CCC2C=C(C)C(C2)C1,0,GDB ChEMBL
288148,CCN1C(=O)C2C(N3CC3)CCCN2C1=O,1,GDB ChEMBL
9813,CN(C)C(=[NH2+])N1CC2COCC(=O)C1C2,0,GDB ChEMBL
262589,CC1CC(=O)N(CC(=O)[O-])S1(=O)=O,0,GDB ChEMBL
60953,CC1CCC(C)C2CC2CCO1,1,GDB ChEMBL
358858,CC(C)(O)CN=CN1C(=N)C(N)C(O)C1=O,0,GDB ChEMBL
210698,CN=C(CC(=O)OCCOC(C)=O)NC=O,1,GDB ChEMBL
120557,CC1CC([NH3+])CC2CCOC2C1,0,GDB ChEMBL
30309,CCC(C#N)(C[NH2+]C)C1CCOC(=[NH2+])N1,0,GDB ChEMBL
249625,C#CC1CN(C)CCC(O)CS1(=O)=O,0,GDB ChEMBL
169386,CCCN=C(NC(C)=O)N(C)C=[NH2+],0,GDB ChEMBL
45738,CN1CC2C(O)(CO)C2(C(=O)[O-])CC1=[NH2+],0,GDB ChEMBL
103940,C[NH2+]CC(CC(=O)[O-])C1CO1,1,GDB ChEMBL
21500,C#CCC([NH2+]C1CC1)C(C)C,0,GDB ChEMBL
224000,CCC1COCOC(C)CC1C,1,GDB ChEMBL
344368,CNC(=O)N1CC(C)CC2([NH2+]C)CC1C2,0,GDB ChEMBL
26996,CC(=O)NC(N)=NCC(O)C1CC1O,1,GDB ChEMBL
5004,O=C1CCC2CC1C(=O)N2,1,GDB ChEMBL
374070,CCC(C)c1cc(CC(F)(F)F)c(C)cc1Cl,1,GDB ChEMBL
34854,C[NH+](C)C1CN(C2(C)C(O)C2O)C1,0,GDB ChEMBL
277918,CC1(O)CCC[NH2+]CC1C#N,0,GDB ChEMBL
176544,CCOCC(C)(C=O)C=O,1,GDB ChEMBL
281169,C#CC(CC(O)CC)[NH+](C)C,0,GDB ChEMBL
79328,C[NH2+]C(C)C1CC1(C[NH3+])CO,0,GDB ChEMBL
66166,Cc1nc(N)c(Cc2ccnn2C)c(N)[nH+]1,0,GDB ChEMBL
372577,CC(=[NH+]C(C)C)N1CC2(CCNC2=O)C1,0,GDB ChEMBL
104915,C#CC1C2CCCCC2CC(CC)C12CC2,0,GDB ChEMBL
76710,C=C1COC(C)CCCN1C(C)=[NH2+],0,GDB ChEMBL
195432,CCn1ncc(C(=O)OC2C[NH2+]C2)n1,0,GDB ChEMBL
251417,Cc1ncc(C(C)(C)[NH3+])cc1CC[NH3+],0,GDB ChEMBL
248632,CNC(=O)N1C(=N)C(C)N(C=O)CC1(C)C,0,GDB ChEMBL
182240,C[NH2+]C1(CC(=O)[O-])C(O)C(C)C1(O)C(=O)[O-],0,GDB ChEMBL
271822,CNC(C[NH3+])C1N=C(N)OCC(O)C1C#N,0,GDB ChEMBL
71266,CCC1C(C)=CC(C)CC12CCCC2,0,GDB ChEMBL
87509,CCCC1C(=O)NC2CC1([NH2+]C)C2O,0,GDB ChEMBL
189760,CCCNc1ccc(C#CC#N)c(Cl)n1,1,GDB ChEMBL
61784,CC(C)S(=O)(=O)c1nc(N)cc(F)c1F,1,GDB ChEMBL
392504,CC(=[NH2+])NCCCCO,0,GDB ChEMBL
262567,N#Cc1cc(NC(=O)C(N)C[NH3+])c(C(N)=O)o1,0,GDB ChEMBL
235491,CCC12C=CCCCCN1C2C#N,0,GDB ChEMBL
305329,CC(C)=CCCCC(C)CC1CC1,1,GDB ChEMBL
324015,CCC(c1c(Cl)ccoc1=O)C1CCC(=O)C1,0,GDB ChEMBL
312196,C#CC1CCC(C[NH3+])C2CC(CO2)NC1=O,0,GDB ChEMBL
59174,CCCC1C(C)C2CC1(C)CC1CCCCC12,0,GDB ChEMBL
80513,C#CC1(C(=O)CCC)CC=CC1,1,GDB ChEMBL
111621,O=C1CC(CO)(CO)OC=NCCC(CO)N1,0,GDB ChEMBL
342337,COCC(N)C(NC=[NH2+])C(C)(C)O,0,GDB ChEMBL
184102,CCC1CC2(C)CC3(CCC2CO1)CC3,0,GDB ChEMBL
181506,CCC1CC(C)CC2C1CC1CC[NH+]2C1C,0,GDB ChEMBL
271135,CC(C)CC1C2C[NH+](C2)C(C)C1C(C)C,0,GDB ChEMBL
127682,COCC1=CC(C(C)(C)C)C(C[NH3+])C1C,0,GDB ChEMBL
395112,CC1C=CC2CC(O)CCC2C1,1,GDB ChEMBL
11212,CC1C2CC(C[NH+]1C)C1=C2CCC1,0,GDB ChEMBL
305946,C[NH2+]CC(=O)N(CC1CC1O)CS(N)(=O)=O,0,GDB ChEMBL
230392,N#CC1NC(C(N)=O)COCC1CO,0,GDB ChEMBL
387296,CC(C)CC1(CCCO)CCC1,1,GDB ChEMBL
148792,C=C(C)CC(CC)(C[NH3+])CC(=C)C,0,GDB ChEMBL
320448,CCC(CC)N(C)c1c(O)ccc(F)c1NC,1,GDB ChEMBL
377774,CCC(C1=CC(C)CCC=C1)C(C)(C)C,0,GDB ChEMBL
201120,O=C1CC23CCC(C2)C(CC3O)O1,0,GDB ChEMBL
66727,CCCC#CC(N)C([NH3+])CCC,0,GDB ChEMBL
55524,CC([NH3+])CC[NH2+]C1(C)CC1,0,GDB ChEMBL
337143,CCC(CC)CCC[NH2+]CC1(C)CC1(C)C,0,GDB ChEMBL
263478,CC1C2C(=O)NC3CCCC12[NH2+]C3,0,GDB ChEMBL
151239,C[NH2+]C1C2OCC(N)(C2C[NH3+])C1(C#N)C(=O)[O-],0,GDB ChEMBL
386516,CC1(C)C[NH+]2CCC=CCC1C2,0,GDB ChEMBL
317173,CCCS(C)(=O)=O,1,GDB ChEMBL
9727,NC1CC(O)C2COC(OC1=O)C2[NH3+],0,GDB ChEMBL
111884,C=CC(O)C(CC(N)=O)[NH+]=C(N)N,0,GDB ChEMBL
8694,CC([NH3+])CC[NH+]1CCCC1,0,GDB ChEMBL
305580,C[NH2+]CC1C(C)(OC)C1(C)C(O)C#N,0,GDB ChEMBL
47672,CC1C23C=CCC12c1ccccc1C3,0,GDB ChEMBL
217367,CCc1c(C)cn(C2CC=CC2[NH2+]C)c1C,0,GDB ChEMBL
76705,CC([NH3+])CNS(=O)(=O)C1CCNC(=[NH2+])NC1,0,GDB ChEMBL
27023,CC1CC2C(C(=O)[O-])OC2C1O,1,GDB ChEMBL
87134,[NH3+]CCC1[NH2+]CCN2C(C(=O)[O-])C12,0,GDB ChEMBL
85014,CCCc1c(C)cc(N)c2sccc12,1,GDB ChEMBL
66179,CCC(C)CC(C)C1CCC1,1,GDB ChEMBL
285746,[NH3+]CC1CC2OCC2(C(=O)[O-])N1,0,GDB ChEMBL
358491,CC(C(O)S(N)(=O)=O)[NH+](C)CC1COC1,0,GDB ChEMBL
174810,CC1C=C(CC2CCCC2)CC2(CC2)C1,1,GDB ChEMBL
27780,C=C1CC(=O)NCCOC(=NC)C1,0,GDB ChEMBL
375477,CC([NH2+]CC(C#N)(CN)C(N)=O)C(=O)[O-],0,GDB ChEMBL
246960,[NH3+]CC(=O)Nc1c[nH]cc1NC=O,1,GDB ChEMBL
348634,CCC1(C)CC(N(C(N)=[NH2+])C(N)=[NH2+])C(O)C1O,0,GDB ChEMBL
398811,CC(O)C(O)C1CC1[NH+]=C(N)N,0,GDB ChEMBL
112605,CCCCS(=O)(=O)NC(=N)n1cnnn1,1,GDB ChEMBL
334785,Cc1ccc2cc(I)c(C)c(C[NH3+])c2c1,0,GDB ChEMBL
130339,C[NH+]=CNc1cc(C)c(O)c(C)c1,0,GDB ChEMBL
121092,NCC1CC(O)C(C2OCCC2O)[NH2+]1,0,GDB ChEMBL
294741,CCC1CCCC2[NH2+]C(C)CC12,0,GDB ChEMBL
83101,C#Cc1ccccc1C1CCC1,1,GDB ChEMBL
247499,C#CC(C)(CNCC[NH3+])N(C)C(C)=[NH2+],0,GDB ChEMBL
178035,CCC(CC[NH2+]C)C(C)CC(=O)CC(F)(F)F,0,GDB ChEMBL
67338,CC1C2CCCCC1(C)CC(C)(C)O2,0,GDB ChEMBL
368443,CNC(=O)C(C)N1CC1S(=O)(=O)[O-],0,GDB ChEMBL
109608,CCCC1(COCC(C)C)CC1,1,GDB ChEMBL
398762,CNC(=O)N(C)CCCOc1cn[nH]c(=O)c1,1,GDB ChEMBL
28380,COCC1OCC1C(C)=O,0,GDB ChEMBL
147874,NC(=O)CC1NS(=O)(=O)CC1O,0,GDB ChEMBL
74300,Oc1cc2c(cc1F)C1(CCOC1)[NH2+]C2,0,GDB ChEMBL
344367,C[NH2+]C1C(O)C=C2C(C[NH3+])C(C)CC21,0,GDB ChEMBL
224035,C#CC(C)C1(O)CC(C#N)N2C(CC)CCC21,0,GDB ChEMBL
323200,CC(C1CC1)C(C)(O)CCCCC(C)(C)C,1,GDB ChEMBL
390077,C[NH2+]C1CC(C)CC12CCC2,0,GDB ChEMBL
377330,CC1(C(=O)[O-])C(O)C1(CO)C(N)=[NH2+],0,GDB ChEMBL
3953,CC1CCCC2CC1CC([NH3+])C2C,0,GDB ChEMBL
284750,CCOc1cc(I)cc2c1CCCCC2(C)C,1,GDB ChEMBL
398745,CC[NH2+]CC1(N)C2C([NH3+])CN(C)C21C#N,0,GDB ChEMBL
287013,CCCC1C(C)CC(C)[NH2+]C1C,0,GDB ChEMBL
369847,C#CCOC(C)(C(N)=O)C(N)=O,1,GDB ChEMBL
31288,COCC(C)C[NH2+]CCOCc1cnoc1C,0,GDB ChEMBL
84522,CC1=CCC2CC(CCC(C)C)C1(C)C2,0,GDB ChEMBL
94671,CCCC1C=CC([NH3+])C(C)C1O,0,GDB ChEMBL
187225,COC1C(C)C(O)CC2OC21,1,GDB ChEMBL
261212,N#CC1=CC(O)C2CC(O)C1C(=O)N2,0,GDB ChEMBL
43954,CC1CC[NH+](C(C)C)C(C)C(C)(C)CC1CO,0,GDB ChEMBL
354018,CN1C(CCC[NH3+])C2OC(=O)C1C2NC(N)=[NH2+],0,GDB ChEMBL
249824,CCCC1C2OCC(C)(CCCC2C)C1(C)C,0,GDB ChEMBL
28328,CC12CNC(=O)C([NH2+]1)C(O)C2(O)COC(N)=O,0,GDB ChEMBL
34969,COC1(C)CC(C=NO)=CC1N(C)C(C)=O,0,GDB ChEMBL
260192,CCC(C=O)NC(C)C1(C(=O)C#N)CCCO1,0,GDB ChEMBL
352698,CCN(C)C=[NH+]C(COCCO)C(N)C(N)=O,0,GDB ChEMBL
295930,CS(=O)(=O)NC1COC2CCOC2C(O)C1,0,GDB ChEMBL
314901,Cn1[cH-]c(=O)c2ncn(CCCS(N)(=O)=O)c21,0,GDB ChEMBL
34846,CC(=O)NC1C(O)C=C2CC(C)C21,0,GDB ChEMBL
33837,CCC(CC)C1CCC2CCCC2(C)CC1C,0,GDB ChEMBL
208359,CC1=CC#CCC(=O)NCC1,1,GDB ChEMBL
358871,CC=CCC=CC(CCO)C(=O)[O-],0,GDB ChEMBL
398761,O=c1sccc(CCO)c1[N+](=O)[O-],0,GDB ChEMBL
378142,C#CCc1nc(O)cn1CCCC,1,GDB ChEMBL
317162,COCC1CN1C(=N)OC(C)CO,0,GDB ChEMBL
366744,NC(=O)C([NH3+])C1CC(O)C2NC12C[NH3+],0,GDB ChEMBL
234874,CN(C(=[NH+]CC#N)c1ccc[nH]1)C1(C)CC1,0,GDB ChEMBL
294231,CC1C([NH3+])CC2(CN(C(N)=[NH2+])C(=O)N2)C1O,0,GDB ChEMBL
132691,C[NH2+]C1CCC(C[NH+](C)C)C1,0,GDB ChEMBL
282253,CC1C2CCC1(C)CC(C)(CC[NH3+])[NH+](C)C2,0,GDB ChEMBL
195238,COC1CC12CC1CCCCC(C2)[NH2+]1,0,GDB ChEMBL
68654,CCC12CC[NH2+]C(C1)C(C)C(C(C)=O)C2,0,GDB ChEMBL
240021,C#CC(C(CCC)c1ccccc1)C(F)(F)F,0,GDB ChEMBL
281155,C#CC(C(C)CC)C(C(N)=[NH2+])C(O)CC,0,GDB ChEMBL
98859,Cc1cc(C(O)CC[NH3+])ccc1C(C)[NH3+],0,GDB ChEMBL
236041,CCN(C)c1ncc2c(cnn2C)c1O,1,GDB ChEMBL
174855,CCCCCC1CC2CC1C(C)=C2C,0,GDB ChEMBL
304486,C#CC1CC(C2=CCN(CC)C2=O)C(C)O1,0,GDB ChEMBL
225065,CC([NH3+])CC(C)(O)C([NH3+])CO,0,GDB ChEMBL
79553,[NH3+]CCC(O)c1[nH]cc(CO)c1[N+](=O)[O-],0,GDB ChEMBL
35317,CC1CC2CCCC3C1OC(C)C23,0,GDB ChEMBL
152044,CC1CC(=O)NC2C3[NH2+]C1COC23,0,GDB ChEMBL
277065,C[NH+]1CC2OC(C1)C1(C)CC(CO)CC21,0,GDB ChEMBL
332403,CC([NH3+])CC1(C)C2CCC1C1CC12,0,GDB ChEMBL
162479,CCC#CC1CC(C)C([NH2+]C)C([NH3+])C1,0,GDB ChEMBL
115773,CCC1C[NH2+]C(C)CC2C=C(CO2)C1,0,GDB ChEMBL
325231,CC(O)CCC1C[NH2+]C(C)C2CN1C2,0,GDB ChEMBL
67857,COc1nnn2c1N1CCC(CC1)C2,1,GDB ChEMBL
30361,c1ccc2c(c1)CCOCOCC2N1CC1,1,GDB ChEMBL
50294,CCCCCC#CC(C1CCCC1)C1CC1,1,GDB ChEMBL
215414,Cc1c(CO)cc(C2CC2)c(C)c1I,1,GDB ChEMBL
118369,CC([NH3+])C1OC(C(N)=O)C(O)CC1O,0,GDB ChEMBL
44074,CNC(=O)C(N)(C(=O)[O-])C1CN1,0,GDB ChEMBL
184295,CCCC1(CCC)CC(CC)OC(=[NH2+])N1,0,GDB ChEMBL
29695,CC(=O)NC(N)=NC1C(N)=[NH+]CCC1O,0,GDB ChEMBL
227728,Cc1ncc(C([NH3+])CCCC(=O)[O-])c(F)c1F,0,GDB ChEMBL
238562,CC(C)C([NH3+])(CNS(C)(=O)=O)C(=N)NC=O,0,GDB ChEMBL
199075,CN1C(=O)CC([NH3+])CC1C(=[NH2+])NC(N)=[NH2+],0,GDB ChEMBL
22805,CC(CC1CCCCC1)C1CO1,1,GDB ChEMBL
263440,[NH3+]C1C2C(=O)NC1(C(=O)[O-])C2C(=O)[O-],0,GDB ChEMBL
374027,CC(=O)N1C(=O)OC(C)(CCC#N)C1=O,1,GDB ChEMBL
22797,Nc1cc(O)c2ccsc2c1,1,GDB ChEMBL
274904,CCCC1(C[NH2+]C)OCCC(CC)COC1=N,0,GDB ChEMBL
45946,C#CC(CC)CC(C)CCCC(C)[NH2+]C,0,GDB ChEMBL
339928,C#CC1=CCC=Cc2ccc(C)nc2NC1,1,GDB ChEMBL
232086,NC(=O)Cc1csc([N+](=O)[O-])c1[O-],0,GDB ChEMBL
344003,NS(=O)(=O)OCCOCC(O)C[NH3+],0,GDB ChEMBL
61796,CCC1C2CC(C3CCCCC2CC3)C1CC,0,GDB ChEMBL
20135,CCC(=O)N1C(=O)[N-]C(C(O)C=N[O-])C1=O,0,GDB ChEMBL
255517,CC12CCC3C4C(C41)C(CC2)C31CC1,0,GDB ChEMBL
61652,COC1C(=O)OC1COCCCO,1,GDB ChEMBL
147233,CCC(C)(C)C(C)C1Cc2ccsc2C1,0,GDB ChEMBL
112663,CNc1ccnc(CN(C)C=[NH+]CCO)c1C,1,GDB ChEMBL
61908,CC1(O)CC(O)C2C(=O)OCC21[NH3+],0,GDB ChEMBL
143200,CCCC1(O)CCC[NH+](C(C)CC)C1,0,GDB ChEMBL
191572,CCC=CCC(C)CCCC(C)C,1,GDB ChEMBL
1084,CC(O)CC1=[NH+]CC(N)CC(CC(N)=O)N1,0,GDB ChEMBL
386538,N=C(NC(N)=O)C1CC(CO)OC(=O)C(O)C1,0,GDB ChEMBL
254957,COc1ccoc2ncnn2cc(C)c1,0,GDB ChEMBL
203315,CC1=CC(C)N(C(C[NH3+])CO)C(=O)N1,0,GDB ChEMBL
37600,CC1[NH2+]CCC12COC(=O)NCCN2,0,GDB ChEMBL
358541,CCC1CCC(C(CC(C)C)C(C)C(C)C)C1,0,GDB ChEMBL
184516,C#CC(CCc1ccc(Cl)cc1)OC1CC1,1,GDB ChEMBL
263293,NC(=O)CC(O)C(CCO)OCC=O,1,GDB ChEMBL
182470,CCOCC1(C(CC2CC2)OC)CC1,1,GDB ChEMBL
121985,CCn1nnc(C=O)c(C(=O)[O-])c1=O,0,GDB ChEMBL
226220,CC1CC2C3CNC(=O)C2C3C1O,0,GDB ChEMBL
186751,CCCCC1C(C)C1(C)[NH2+]CC,0,GDB ChEMBL
102152,C#CC1C[NH+](CCO)C1CCC,0,GDB ChEMBL
261393,CC1c2c(C#N)cc(Cl)c(N)c2OC2CC21,0,GDB ChEMBL
195202,CC[NH2+]CC1(CC)CC1C(C)C,0,GDB ChEMBL
89689,CC1CC2CCC1C=C(C#N)C(CO)C2=O,0,GDB ChEMBL
304098,NC(=[NH2+])C1C2OCC(NC2=O)C1O,0,GDB ChEMBL
106989,Cc1c(Br)ccc(Br)c1CC1CC1C,1,GDB ChEMBL
132695,OCC(CO)NC1CC[NH2+]C1,0,GDB ChEMBL
293837,Cc1c(F)cc2c(C)ccc3c2c1C1CC31,0,GDB ChEMBL
287335,CCC(C)(NC(C)=[NH+]CCN)C(C)CCO,0,GDB ChEMBL
115543,CCCC1C2CC=CC(c3ccccc3)C21,0,GDB ChEMBL
349475,CC1C(O)C([NH3+])CC(C)(CO)C1C#N,0,GDB ChEMBL
48709,CC(CC1C([NH3+])C1C1CC1)[NH+](C)C,0,GDB ChEMBL
42557,CC(Cn1cnnn1)Nc1ccsc1,1,GDB ChEMBL
369880,C#CCCC(CCC)[NH2+]C(C#C)C#C,0,GDB ChEMBL
247530,CCC1C[NH2+]C2CC=C3CCCC1C32CC,0,GDB ChEMBL
195241,COc1cnc2n(C)c(C#N)c(NC(N)=O)n12,0,GDB ChEMBL
363582,C#CC1C=Cc2ccc(C)cc2C1,1,GDB ChEMBL
304332,CNc1c2nc(CC(=O)[O-])sc2c(C[NH3+])n1C,0,GDB ChEMBL
285739,CCC1(C(N)=O)CC(C(N)=O)C1S(C)(=O)=O,0,GDB ChEMBL
383021,CN1CC(C(=O)[O-])C(O)(C[NH3+])CS1(=O)=O,0,GDB ChEMBL
26341,OCCCCc1ccccc1Cl,1,GDB ChEMBL
84944,Brc1cccc(Br)c1CC1C=CCC1,1,GDB ChEMBL
38705,C#CC1(O)CCC(CC)(CC)C1CCCCC,1,GDB ChEMBL
391501,CNS(=O)(=O)CC(C#N)C1CCO1,1,GDB ChEMBL
251816,CC[NH2+]C1CC12OCCC2C[NH3+],0,GDB ChEMBL
94848,C#CC1CCCCC(C)C(C)(C)[NH+](C(C)C)C1,0,GDB ChEMBL
133362,CCc1cc(Cl)cc(CC2(C)CCC2)c1C,1,GDB ChEMBL
252048,NC(=O)OC1CC(O)C(O)C1NC=O,1,GDB ChEMBL
258012,C#CC(CCC)CCCC(C)N1CC1(C)C,1,GDB ChEMBL
398812,CC(C)(C)S(=O)(=O)C(=O)NC1CCCC1,0,GDB ChEMBL
398911,CC12CCC3(CO3)C(CCC1[NH3+])C2,0,GDB ChEMBL
80443,CCCCC(C)C(CC(C)(C)C)C(C)C(C)C,0,GDB ChEMBL
141789,CC(O)CC1CCCC2OC12,1,GDB ChEMBL
197029,C#CCC[NH+]=c1nc(C)c(CC#N)c(C)[nH]1,0,GDB ChEMBL
361647,C[NH2+]C(CCO)Cc1c(C[NH3+])c[nH]c1C,0,GDB ChEMBL
78341,COCC1CC(=O)NC(=N)NC=CC[NH2+]1,0,GDB ChEMBL
45082,C[NH2+]CC1C(N)C(C[NH3+])C(=O)[N-]S1(=O)=O,0,GDB ChEMBL
66622,C#CC1CC(O)C(CO)C[NH+]=CN1,0,GDB ChEMBL
325918,CCCC(=O)C1=CNC(=O)C1(C)C,0,GDB ChEMBL
140347,CC(=O)NC(=O)C1CCN(C)C(=[NH2+])C1=NO,0,GDB ChEMBL
277809,C=Cc1cc(Cl)cc(NC(C)=O)c1,1,GDB ChEMBL
60975,C#CCC(O)C(=O)NC=O,1,GDB ChEMBL
181006,CC1(O)C(=O)NCC=CC1O,1,GDB ChEMBL
378141,Cc1ccscccc(CC#N)c1C,0,GDB ChEMBL
133967,CC(NS(C)(=O)=O)C(=O)c1nc2c([nH]1)CNC2,0,GDB ChEMBL
45703,CNC(=O)NC(N)=NC(CN)(CO)CO,0,GDB ChEMBL
182525,O=C([O-])C1C(O)C1C1CC(O)C[NH2+]1,0,GDB ChEMBL
165645,C=C1CCC(=O)NC(C)CCC1=C,0,GDB ChEMBL
13149,CC(CC#N)OCC(C)C(N)=O,1,GDB ChEMBL
31756,CC#Cc1cc(C)c(=O)[nH]c1C,1,GDB ChEMBL
285601,CC12CC1N1CCCCC2C1C#N,0,GDB ChEMBL
386388,CS(=O)(=O)c1cccn1CC1(O)CCC1,1,GDB ChEMBL
47240,CC([NH3+])C([NH3+])CC(C)C(F)(F)F,0,GDB ChEMBL
190465,CC(C(C=NO)C=NO)C(CC#N)NC(N)=[NH2+],0,GDB ChEMBL
372574,CNC(=O)C1([NH3+])CC(O)C2OC21,0,GDB ChEMBL
9844,C#CCC(C)(CC)C([NH2+]CC)C(C)(C)C,0,GDB ChEMBL
281970,Cc1cc(C)c(C2C[NH2+]CC2(C)N)c(O)c1Cl,0,GDB ChEMBL
292516,C#CC(C)[NH2+]C1CC(C(C)C)CC1CC,0,GDB ChEMBL
59201,CCC[NH+](CC(C)(C)CC)C1(C)CC1,0,GDB ChEMBL
189763,CC1C(C[NH3+])NC(=O)CC12CO2,0,GDB ChEMBL
347963,CCC1CC(O)C2CC2C12CC2,1,GDB ChEMBL
53860,C#CCC(CC)C(C)C1CC2CC2C1,0,GDB ChEMBL
51842,[NH3+]CCCNCc1nc[nH]n1,0,GDB ChEMBL
81789,CC(O)(C(=O)[O-])C(O)C(=O)NC(N)=O,0,GDB ChEMBL
304597,CC1=CC(C)(C)CC(C)(C)C(C)CC1,0,GDB ChEMBL
379712,Cc1c(Cl)c(C=O)nc2occ(C3CC3)c12,1,GDB ChEMBL
355813,C[NH2+]CC1OCC1N=C(N)NC(N)=O,0,GDB ChEMBL
44354,CNS(=O)(=O)C1C(C(=O)[O-])OCC2C([NH3+])C21,0,GDB ChEMBL
318751,CCCC1CC2CCCCC1C2,0,GDB ChEMBL
30314,CC(C)(C)c1cccc(N)c1F,1,GDB ChEMBL
190410,CCOC(=O)C(CO)C(=O)S(=O)(=O)[O-],0,GDB ChEMBL
305283,C#CCNC(=O)C(NC)C1(O)C([NH3+])C1(C)O,0,GDB ChEMBL
348438,CCCC1CC(CCC)(C(C)C)CCCC1C,0,GDB ChEMBL
24543,COC1Oc2ncncc2CN(C)C(C)C1=O,1,GDB ChEMBL
16538,Clc1ccc(Cl)c2c1CC[NH2+]C1(CC1)C2,0,GDB ChEMBL
203808,CCN1C(=O)C([NH3+])CCN=C1S(N)(=O)=O,0,GDB ChEMBL
277388,CC(C#N)(NC(=O)CC[NH3+])C(O)(CO)CCO,0,GDB ChEMBL
315185,CC1CCCN(C(=[NH2+])NC=[NH2+])CCNC1=O,0,GDB ChEMBL
38776,NC(=O)NCC(O)(CC=O)C(N)=O,1,GDB ChEMBL
2997,C#CCC1CC(C)CCC([NH2+]C)C1OCC,0,GDB ChEMBL
215854,COCC1(CO)CC1[NH3+],0,GDB ChEMBL
313341,CC1CC1(c1cccc(Cl)c1)C(F)(F)F,1,GDB ChEMBL
129435,COC1CC2CCC3C2C3C1C(=O)[O-],0,GDB ChEMBL
18882,CCOC1COC2C[NH+](C1)C1CC2C1,0,GDB ChEMBL
219505,CC1CC1CC(NS(=O)(=O)CC[NH3+])C(N)=O,1,GDB ChEMBL
31084,CC(C=CC#CCCC[NH3+])CC#N,0,GDB ChEMBL
11232,C[NH2+]C(CC#CC[NH2+]CC(=O)[O-])COC,0,GDB ChEMBL
12753,CC=C(C#N)C(=O)[N-]C(CO)CO,0,GDB ChEMBL
374346,CCC1(C(CC#N)OC)CC1C,1,GDB ChEMBL
160977,C#CC(CC=O)(OC)C(CC(C)C)C(C)CC,0,GDB ChEMBL
214875,COCC12CC(O)C(C)C1N2,0,GDB ChEMBL
76951,CCc1c(N)ccc(Cl)c1C=O,1,GDB ChEMBL
131884,Nc1cc(S(=O)(=O)CCC2(O)CC2)ncn1,1,GDB ChEMBL
382589,Nc1cn(CC2CCS(=O)(=O)N2)cn1,1,GDB ChEMBL
321438,CCC[NH+](C)CC1CN=C(C2CN2)O1,0,GDB ChEMBL
146068,C#CC([NH2+]C)C1(C(C)=O)CC2COC(=O)C2C1,0,GDB ChEMBL
184868,[NH3+]CC1C2OC2CC1(O)C(=O)[O-],1,GDB ChEMBL
304623,Cn1cccc1CN1CC(C)(C)C1=[NH2+],0,GDB ChEMBL
181740,NC1C(=O)[N-]S(=O)(=O)CCC2C(O)C12,0,GDB ChEMBL
324046,CC1C(=O)CCC2(O)c3cccnc3C(=O)C12,0,GDB ChEMBL
230466,C#Cc1ccc(N)c(C)cc(=O)nc(C)n1C,0,GDB ChEMBL
5282,CC1=NC(C(N)=O)COC(=N)N1,0,GDB ChEMBL
185925,CCCc1cc(CC)c(Br)cc1Br,1,GDB ChEMBL
236758,N#CC1NCC(=O)NC(=O)NC1=N,1,GDB ChEMBL
157720,C#CCC(CC#C)CCc1ccn[nH]1,1,GDB ChEMBL
317201,CC(C)[NH2+]C1CC2(CO)OCC1CC2O,0,GDB ChEMBL
126381,CN1C(=O)C(C[NH3+])CC2C([NH3+])C21,0,GDB ChEMBL
398974,CCC1C(C)C(C)=CC(C)C1O,0,GDB ChEMBL
81788,CCc1cc(C=O)c(O)cn1,1,GDB ChEMBL
285576,CC1CC2CCC(C)(C(C)C)CC(C)C2C[NH2+]1,0,GDB ChEMBL
244520,CC(C)[NH2+]Cc1cc(C2(O)CC2)c[nH]1,0,GDB ChEMBL
153206,C#CC1C(C)=CC(C)C(CCC)CC1(C)C,0,GDB ChEMBL
255977,CCC1C(O)CC2CCC1C1[NH2+]CCC1(C)C2,0,GDB ChEMBL
288168,CC1C(C[NH3+])NC1C[NH+](C)C,0,GDB ChEMBL
281045,CN1C=Nc2c(Cl)ccc3[nH]cc1c23,0,GDB ChEMBL
392268,CC(C)(C)C(CC1=C(N)COC1=O)NC=O,0,GDB ChEMBL
385368,CC1CC([NH3+])CCCCC2CC1(C)C[NH2+]2,0,GDB ChEMBL
248649,CCC1CCC(OC)C1C(C)C1C[NH2+]1,0,GDB ChEMBL
64640,C#CC1=CC(CCCOC)OC1,1,GDB ChEMBL
113498,C[NH2+]CCC(O)c1cnsn1,0,GDB ChEMBL
372164,C#CC1C2CCC(C2)C1NC(C)=[NH2+],0,GDB ChEMBL
321997,COCC1OCC=CC1C(O)CCO,0,GDB ChEMBL
127900,NC(C(=O)[O-])C([NH3+])C1CCCC(NC=[NH2+])CN1,0,GDB ChEMBL
284864,O=C1NC2C[NH+]3CC=CC1(C2)C3,0,GDB ChEMBL
296397,CC1CC2(C)COC(C)(CO)C1(CC(=O)[O-])C2,0,GDB ChEMBL
136443,CCCC1C(C)N1CC(=O)CCOC,1,GDB ChEMBL
44309,C=C1N(CCC)S(=O)(=O)CC1(C)[NH2+]C,0,GDB ChEMBL
151209,CCCCC(C)C(C)(C)C[NH3+],0,GDB ChEMBL
54076,CCC(O)C(NC(=O)OC)C(=N)NC=[NH2+],0,GDB ChEMBL
391768,COC(=O)C[N-]C(=O)C(C#N)Nc1ncn[n-]1,0,GDB ChEMBL
130235,C#CCC12CCCC1C([NH3+])C[NH2+]C(C(C)O)C2,0,GDB ChEMBL
141796,CC1C2CCC1(C)C=CC[NH+]2C,0,GDB ChEMBL
351172,CC1CCC2(C)CC=CCCC(C)C2C1,0,GDB ChEMBL
389655,C#CC(C)(C#C)c1ncccc(CC)ccs1,0,GDB ChEMBL
168434,CC1C2OC(=O)C1C2NC(N)=[NH2+],0,GDB ChEMBL
276310,CC1CCC(=O)C2CC(C)C1[NH+]2C,0,GDB ChEMBL
374166,CC1COC(=O)NCC(C)(O)C(C)OC(=[NH2+])N1,0,GDB ChEMBL
227280,C=CCS(=O)(=O)CCNC(=O)CC=O,1,GDB ChEMBL
149956,CCC1OC2C(C1O)N(C)C(=O)[N-]S2(=O)=O,0,GDB ChEMBL
9952,CN(C)C(=O)C(C[NH3+])Cc1onc(C[NH3+])c1[O-],0,GDB ChEMBL
1959,CNC(CCO)(C(=O)[O-])C(N)C#N,0,GDB ChEMBL
99573,CCOC(=O)NCCC#CC(O)C#N,1,GDB ChEMBL
337073,CC1C(C)(O)C12CC(NCC[NH3+])C(=O)N2,0,GDB ChEMBL
216480,C[NH2+]C(CC#N)C1CC(=O)C1,0,GDB ChEMBL
8662,CC(C(O)C(N)=O)N1CC1C=O,0,GDB ChEMBL
281051,NC(=O)NC(CO)C1NC2CC(O)C1OC2=O,0,GDB ChEMBL
356817,CC1C(C(N)=O)CC2CCCC21,1,GDB ChEMBL
374191,CC1CC2(C)CN(C=O)C2C(=O)N1,0,GDB ChEMBL
315258,CCCC(O)C1CCOC1,1,GDB ChEMBL
228774,CCc1cc(F)nc(C(C)CC=O)c1N,0,GDB ChEMBL
299539,C[NH2+]C1CN(C2CC2)C2=[NH+]CCC2CC1C,0,GDB ChEMBL
379217,CC[NH2+]C1CCC(C2CC2C)C1,0,GDB ChEMBL
371027,CCOCC1CC1(CC)CO,1,GDB ChEMBL
163845,CCC1(CC(C)(C)C)OC2CCC([NH3+])C1C2,0,GDB ChEMBL
43979,CC12CCC(CO1)C2c1cccc(Br)c1C=O,0,GDB ChEMBL
35476,CC1(CC[NH3+])C(N)C(=O)OC(C#N)C1C#N,0,GDB ChEMBL
355191,COC1(C)C2CC(C#N)C1C(CC(C)C)[NH2+]2,0,GDB ChEMBL
203840,[NH3+]C1CC2C3CNC(=O)C2C13,0,GDB ChEMBL
36008,COCC1OC(=O)C2OC12C(=O)[O-],0,GDB ChEMBL
188073,FC(F)(F)CCCC1=CCC=CCC1,1,GDB ChEMBL
188480,CNc1cnc(C=O)c([O-])c1C(=[NH2+])N1CC1,0,GDB ChEMBL
58512,O=CN1C(=O)C(O)C2[NH2+]CCC21,0,GDB ChEMBL
239128,[NH3+]C(C(=O)[O-])C1OCCOCC2COC1C2[NH3+],0,GDB ChEMBL
157431,COC(=O)C(=O)CC=CC(=O)CO,1,GDB ChEMBL
321394,CCc1ccc2c(c1F)C=CC(OC)=NC2,1,GDB ChEMBL
26956,N#CCOc1nc2c(s1)CC(=O)OC2,1,GDB ChEMBL
115269,CN1C(=O)C2OC(CO)C(CO)C23OCCC13,0,GDB ChEMBL
79345,CC(O)C1OCC2C(CCO)C21,0,GDB ChEMBL
214699,CCCCC1C2C=CC(C)C2C2OC12,0,GDB ChEMBL
94659,CC(C)C12C[NH+](CCCO1)C2,1,GDB ChEMBL
366024,CCCC1(C(C)OC(C)C)CCOCC1,1,GDB ChEMBL
17321,Cc1[nH]cc(CC[NH3+])oc(=O)cc([O-])c1C#N,0,GDB ChEMBL
53030,CC1[NH2+]C(CO)C(O)C1(O)CO,1,GDB ChEMBL
299147,CC(=O)NC(C(C)O)C1C=CC2([NH3+])CC12O,0,GDB ChEMBL
305251,CN1CC=C(CC2CO2)C1=O,0,GDB ChEMBL
263461,CC1C[NH2+]C(C)(C)CCC(CCC=O)CC1O,0,GDB ChEMBL
177120,CN1CC=C(CO)CCNC(=O)C1,0,GDB ChEMBL
34911,CC(=O)c1cc(C)n2c1CC2,1,GDB ChEMBL
146888,CC[NH+]1C(C)C(OC)C2C1CC1(C=O)CC21,0,GDB ChEMBL
201108,CC1CC[NH+]2CC3(COC3)CC12,0,GDB ChEMBL
186699,CC(C)CNc1c(S(N)(=O)=O)cnn1C,1,GDB ChEMBL
109202,CN1CC(=O)C2(O)CCOCC(O)C12,0,GDB ChEMBL
174828,CC[NH+]=C1OCC([NH3+])C(C)N1C,0,GDB ChEMBL
184505,CCCC1CCC=C2CC(C)(C)CC2C1,0,GDB ChEMBL
81460,COC1CC(C)C2CCC(C2)C2CC12,0,GDB ChEMBL
218777,C[NH2+]Cc1c(C)ccc2c1C1CC1N2,0,GDB ChEMBL
277644,CC(NC1(C=O)C2CS(=O)(=O)NC21)C(=O)[O-],0,GDB ChEMBL
121942,CC1NC2C(=O)OC1C21CCN(C)S1(=O)=O,0,GDB ChEMBL
817,CC1CCC2[NH2+]CCC23C(=O)CNC(N)=[NH+]C13,0,GDB ChEMBL
291892,CCC1CC2(CC(=O)C2)CC(CC(C)C)[NH2+]1,0,GDB ChEMBL
22010,N#CC1C(=O)COC1c1cncnc1,1,GDB ChEMBL
284018,CC1(CC(N)=O)NC1Cc1ccn[nH]1,0,GDB ChEMBL
56621,Cn1ccc2[nH]c(=O)c(CO)cc21,1,GDB ChEMBL
374885,CCCC1C(C)=CCC1C(CC)CO,0,GDB ChEMBL
248268,N#CCC(O)C(C(N)=O)C([NH3+])CO,0,GDB ChEMBL
355144,CCOc1nn(C)c(S(N)(=O)=O)c1N,1,GDB ChEMBL
58486,NC(CN(CCO)CCO)C(F)(F)F,1,GDB ChEMBL
68461,C[NH2+]C1CNC(C(O)C[NH3+])C(C)C1O,0,GDB ChEMBL
66168,CC[NH+]1CC=CC2C(C)NC(=O)C21C(C)C,0,GDB ChEMBL
210248,COCCNc1[nH+]c(C)ccc1C,0,GDB ChEMBL
5916,C[NH2+]CC12CN(C)C(C(=O)O1)C(O)C2C[NH3+],0,GDB ChEMBL
151187,[NH3+]C1CN(C=O)CC1CCO,0,GDB ChEMBL
68443,CCC(C)(CC)[NH2+]CCC#CC(C)(C)C,0,GDB ChEMBL
235674,CC(=O)Nc1ncncc1S(=O)(=O)[O-],0,GDB ChEMBL
196495,CC(C[NH3+])NC1C(C)OC(CNC(N)=[NH2+])C1[NH3+],0,GDB ChEMBL
215435,CNC(=O)NC(=N)CC1OC1CO,1,GDB ChEMBL
22605,CC1C(=O)CC(CCCO)N1C,0,GDB ChEMBL
258680,[NH3+]C1CC(O)C2C1N2C(=O)CO,0,GDB ChEMBL
151704,C#CC(O)CC([NH3+])C(C)C(C)C,0,GDB ChEMBL
39713,COC1COC2C(O)C(C(=O)[O-])OC12,0,GDB ChEMBL
259575,CC(C)C(C)c1cc(Br)ccc1CC(C)(C)C,1,GDB ChEMBL
3780,CCC12CC(CO1)N(C)C2=O,0,GDB ChEMBL
175674,C[NH2+]CCN(CC(CNC=O)C(C)[NH3+])C(N)=[NH2+],0,GDB ChEMBL
334663,[NH3+]C1CCC[NH2+]C2CC=CC1C=CC2,0,GDB ChEMBL
358269,COC1C(O)C2CNS(=O)(=O)CC1(C)[NH2+]2,0,GDB ChEMBL
21878,CC12COC(CCC(=O)[O-])C1=CC([NH3+])C2,0,GDB ChEMBL
81427,NC(=O)CC(=O)c1ncnc(O)c1Cl,1,GDB ChEMBL
50310,C#Cc1cc(CCC)c(CCCCC)c(Cl)n1,1,GDB ChEMBL
132814,CC1CC([NH3+])C2COC1CN2C,0,GDB ChEMBL
240776,CC[NH+](CC)CC(O)c1cc(C)n[nH]1,0,GDB ChEMBL
236589,COCC1C2CC1[NH+](C(C)(C)C)C2,0,GDB ChEMBL
225244,CCS(=O)(=O)C1(C(CO)NC(N)=[NH2+])CN1C,0,GDB ChEMBL
132667,CCCC1(CC)CC1OCC(C)C[NH+](C)C,0,GDB ChEMBL
148867,CCC1C=CC([NH+](C)C)CC(=O)C1,0,GDB ChEMBL
177995,CNC(=O)C(C[NH3+])OCS(=O)(=O)NC,0,GDB ChEMBL
359168,NC(=O)C1OC2CC2C1CC[NH3+],0,GDB ChEMBL
308674,CC(C)C[NH2+]C1C2CCC1C2,0,GDB ChEMBL
58491,C1=CC[NH+](CCC2CC2)CC1,0,GDB ChEMBL
181161,O=C1NC(=O)C(C2CN2)NCCO1,0,GDB ChEMBL
263813,CC[NH+](C)C1C2CCC=CCC2C1C[NH2+]C,0,GDB ChEMBL
276038,CC(C)C1CCc2ccc(Cl)cc2C1,1,GDB ChEMBL
112775,CC#Cc1cc(Br)ccc1C(C)(C)N1CC1,0,GDB ChEMBL
300557,CCNC=[NH+]CCCCCC(C)=O,0,GDB ChEMBL
42594,[O-]c1c(Cl)cc(CO)nc1Cl,0,GDB ChEMBL
288689,CC(NC(C=O)CS(=O)(=O)[O-])C(N)=O,0,GDB ChEMBL
362072,COC(C(N)=O)(C(=O)[O-])C(C)C,0,GDB ChEMBL
70802,C#Cc1cc(C(C)C)c(C)c(C(C)(C)C)c1Cl,1,GDB ChEMBL
271120,CCNc1ncc(C(C)C(C)[NH+](C)C)cc1Br,0,GDB ChEMBL
46028,C[NH2+]CC1C2CC1(N=C(N)OC)C(=O)N2,0,GDB ChEMBL
190063,CCCC(O)C1[NH2+]CC1N(C)C(N)=[NH2+],0,GDB ChEMBL
29825,NC1=[NH+]CCNC(=[NH2+])COC1,0,GDB ChEMBL
117346,C#CC1(CO)COCCCOC(C(=O)OC)C1,0,GDB ChEMBL
131929,N=C1OC(=O)NC1C(O)C(O)CC(N)=O,1,GDB ChEMBL
127160,CCCC1(O)CC(C)CC(O)C([NH3+])C1,0,GDB ChEMBL
35016,N#CC(O)CN=C(N)NC(N)=[NH2+],0,GDB ChEMBL
228348,C#CC1[NH2+]C2CCC1C(O)C2,0,GDB ChEMBL
348650,CC(C)(C)c1cc(C2CC2)c(N)c(Cl)c1Cl,1,GDB ChEMBL
130428,C#CC(CCC)CC12CC(C1)NC2=O,0,GDB ChEMBL
290176,Cc1nc(CCO)nc(N)c1F,1,GDB ChEMBL
75469,COC(=O)C1[N-]S(=O)(=O)C2(C)C(O)C12O,0,GDB ChEMBL
300176,CC(C)CC1C(C)CC2(CCO)CCC[NH+]1C2,0,GDB ChEMBL
11245,COC(CO)CC(=O)c1cn[nH]c(=O)n1,1,GDB ChEMBL
394248,CC1CC2NCC([NH2+]1)C(C)N(CC(=O)[O-])C2=[NH2+],0,GDB ChEMBL
26592,CC([NH3+])C1CC1C[NH+](C)C1CC1C,0,GDB ChEMBL
273402,CC(C#N)(C=O)Oc1cc(Cl)cc(Cl)c1C=O,1,GDB ChEMBL
116024,COC1(C(C)=O)C[NH2+]C1C,1,GDB ChEMBL
207406,CCC(O)C1(O)C(C)NC(=O)C(O)C1[NH3+],0,GDB ChEMBL
266505,NC(=O)NC1C(=NO)CN=C(N)OCC1O,0,GDB ChEMBL
330385,CC(=O)CNC(=O)CC(O)c1[nH]c(C)nc1C,1,GDB ChEMBL
141954,CC12C3CCCCCOC1C2C(O)C3,0,GDB ChEMBL
321991,COC(C)C1NC(=O)C2(C)CC1C2C,0,GDB ChEMBL
148511,COC1(C)CC2NC(=O)C1(c1nccs1)C2C,0,GDB ChEMBL
152055,CC1Nc2nc(I)cc(c2N)C[NH2+]CCC1O,0,GDB ChEMBL
27003,CCc1cccc(C(C)CC)c1I,1,GDB ChEMBL
204302,CC[NH+]=C(N)c1ccoccc(C[NH3+])cc1[O-],0,GDB ChEMBL
215677,C#CC1C(=NO)C(C[NH2+]C)OC1CCO,0,GDB ChEMBL
174685,CC1CCOCCCC(=[NH2+])NC12CC2,0,GDB ChEMBL
33525,CC1CC(=NO)C(CO)CCO1,1,GDB ChEMBL
41056,C#CC(C)CCc1ccc(C)c(C(C)CC)c1,1,GDB ChEMBL
104727,CC1C(C(=O)[O-])[NH2+]CC2CN21,0,GDB ChEMBL
5236,CCC1(OC)CCNC(=O)COCC(=O)O1,1,GDB ChEMBL
200957,CC(NC=O)c1cc(C[NH3+])cnc(O)ccs1,0,GDB ChEMBL
156084,C=CC1C(C)C(C)C(CC)C1CO,0,GDB ChEMBL
8737,[NH3+]CCC(O)C1C2C3OC3C12,0,GDB ChEMBL
185915,CNC1CN(C)CCOC1=NCC[NH3+],0,GDB ChEMBL
278007,COCC[NH2+]C1COCC(=O)C(O)COC1,0,GDB ChEMBL
294181,CCC1(CC(O)CCO)C(C)[NH2+]C2CC21,0,GDB ChEMBL
42553,CCCC12CCCC(C)C(CC1)CC2,0,GDB ChEMBL
173730,CCCC(C)(Cc1ccc(C)cc1)C(C)CC,1,GDB ChEMBL
134747,CCC(CC(O)c1ccc[nH]1)N(CC)CC#N,1,GDB ChEMBL
61785,C[NH2+]C1CC(C)C2CCCC2C1(C)C,0,GDB ChEMBL
353525,Cc1c(C(=O)C(C)C)c(S(N)(=O)=O)nn1C,1,GDB ChEMBL
346823,COC1C(C[NH3+])C(C)CC(C)CC2CCCC21,0,GDB ChEMBL
321794,COCC(CC(C)(C)[NH3+])OC,0,GDB ChEMBL
301511,CCOS(=O)(=O)NC(CC)C(=O)[O-],0,GDB ChEMBL
9738,C#CCOC1(C)CCC(C)C1,1,GDB ChEMBL
23598,Cc1c(C#N)c(C)n(CCCC2CC2)c1O,1,GDB ChEMBL
142393,CC(=O)Nc1nc(C[NH3+])co1,0,GDB ChEMBL
271616,CC#CCc1nc(C(=O)[O-])ccc1Br,0,GDB ChEMBL
315155,CCC1(C[NH2+]C)CC2(O)CC(OC2=O)O1,0,GDB ChEMBL
94750,CC(O)C1CC(CO)S(=O)(=O)N1,0,GDB ChEMBL
12832,Cc1cc2c(F)c(C(C)C)c(N)c(CO)n2n1,0,GDB ChEMBL
372687,CC1C[NH+](C)C2C(CO)C12O,0,GDB ChEMBL
104450,C[NH2+]C(C)C1(OC)C=CC(=O)C1C,0,GDB ChEMBL
390500,NC(=O)CC1C=CC(=O)C1,1,GDB ChEMBL
34344,C#Cc1ccc(C2CCCC(C)(C)C2)c(I)c1,1,GDB ChEMBL
11414,CN1CC2(O)C(O)C2CCC1C#N,0,GDB ChEMBL
103511,N#CCOC(=N)[N-]C(=O)CO,0,GDB ChEMBL
5851,CC1C(O)C1NC(N)=O,1,GDB ChEMBL
120728,Cc1cc(C2C3COC2C3)no1,1,GDB ChEMBL
378283,CNC(=O)OC(C(=N[O-])C(=O)COC)C(C)C,0,GDB ChEMBL
259482,CC1C(=O)C2CN1C(CO)C2O,0,GDB ChEMBL
3943,CC1CC2CC2C(C#N)C[NH2+]1,0,GDB ChEMBL
290538,COCc1nnn2cc(OCC(C)O)nc2n1,0,GDB ChEMBL
232098,CCCCC(O)(C(=O)C#N)C1CNC(=O)CN1,0,GDB ChEMBL
40349,CCC1CC2CC#CCC(C)C1CC2,0,GDB ChEMBL
284740,CC(CCC(C)(C)C)C(O)C1C(C)CCC1C,1,GDB ChEMBL
257477,CC(CCC1CCCO1)C1C(C)C1C,0,GDB ChEMBL
243768,COC1C2CC3C([NH2+]2)C(=O)C1C3O,0,GDB ChEMBL
29984,[NH3+]CC1OC(=O)C2CCCCC(O2)C1CCO,0,GDB ChEMBL
26438,COC1C(CO)C(=NO)C1[NH2+]CC(C)(C)O,0,GDB ChEMBL
271520,CC1(CC#N)CC(O)C2[NH2+]CC1CC2NC=O,0,GDB ChEMBL
251829,CC[NH2+]C(C)(CO)CCCC(C)C1CC1O,0,GDB ChEMBL
385604,Cc1cc2c(n1C)CC1CC(C#N)CC1C2,0,GDB ChEMBL
393550,CCCC(=O)Nc1nc([O-])[nH]c(=O)c1N,0,GDB ChEMBL
19619,CC1CC(O)C2(C)C=CC(C(N)=O)CC12,0,GDB ChEMBL
258313,CC1CC[NH+](C)CC2OCCC3([NH3+])C1C23,0,GDB ChEMBL
333632,O=C1OCC2CC3(CCC1C3)C2,1,GDB ChEMBL
277672,CC(C)CC(C)(c1cncc(F)c1)C(C)(C)C,0,GDB ChEMBL
359058,CC(C)C1(CC2CC(C)S(=O)(=O)N2)C[NH2+]C1,0,GDB ChEMBL
204496,CCOCC1(C)CC(C)CC(C[NH3+])C(OC)C1,0,GDB ChEMBL
323196,C#CC1OC(=O)C(C[NH3+])C1C,0,GDB ChEMBL
273981,CC(=O)N(CC1CCO1)C(=N)N,1,GDB ChEMBL
205783,NC1=[NH+]CC2CC(O)C(O)CN12,0,GDB ChEMBL
238176,CC(=O)OC1C(C[NH3+])C1C1=NCCO1,0,GDB ChEMBL
343259,CCC1(C(N)=O)CC(C#N)C(S(N)(=O)=O)N1,0,GDB ChEMBL
205969,C[NH2+]C(COC1CC1C)C(C)C,1,GDB ChEMBL
332347,CCC1C[NH+]2CC2C(C)CC1C,0,GDB ChEMBL
33154,CCC1(C(C)C)CCCC=C(C)C1,0,GDB ChEMBL
142512,CCC(CO)OC(C(C)[NH2+]C)S(N)(=O)=O,0,GDB ChEMBL
228407,CC12CCCC1CCC1CC=C(CO)C2C1,0,GDB ChEMBL
239097,[NH3+]C1CCOC1c1cnc[nH]1,0,GDB ChEMBL
77494,CCC1(CCc2cc(Cl)ncn2)C[NH+](C)C1,0,GDB ChEMBL
362027,CC(CCCO)C1(O)C2CC(=O)C(C)(C2)C1C,0,GDB ChEMBL
165959,COC1(C)CC(=O)N(C(=O)NCC(=O)[O-])C1,1,GDB ChEMBL
170083,N=C(OC(N)=O)C(CO)(CO)CC(=O)[O-],0,GDB ChEMBL
256183,CCC(C)(CC)c1cccc(CC(C)C)c1F,1,GDB ChEMBL
236029,C#Cc1c(F)cc(F)cc1C1CC(C)(C)C1,1,GDB ChEMBL
94907,NC(=O)N1CCC[NH+](CCO)CCCOCC1,0,GDB ChEMBL
340524,C#CCCN(CC[NH2+]C)CC1CC([NH3+])C1,0,GDB ChEMBL
279088,CCC(C)C1=CC(C[NH2+]C)C2(C)OC12,0,GDB ChEMBL
353558,C#CC1(C)C2CCC1C([NH+](C)C)CC2C(C)C,0,GDB ChEMBL
222155,C#CC[NH+](C)C1(C)CCCOC1,0,GDB ChEMBL
345509,CCOC(CO)=NCC([NH3+])C(O)CO,0,GDB ChEMBL
46896,COCC1C(C(=O)[O-])OC1S(N)(=O)=O,0,GDB ChEMBL
94595,CC#CC1CCC(C[NH3+])C1CC,0,GDB ChEMBL
22501,CC([NH3+])C1N2CC1(O)CC2C(=O)[O-],0,GDB ChEMBL
129422,CCC1[NH2+]CC2CC(C)=CC(C(C)(C)C)C21,0,GDB ChEMBL
28276,CC(=O)OC1OC(=O)C2(CC(=O)[O-])OCC12,0,GDB ChEMBL
362229,CC1OCC2[NH2+]CC(N)C2NC1C(C)C(N)=O,0,GDB ChEMBL
4881,CC(CO)CC1COCC(C)C1,1,GDB ChEMBL
256187,O=CC1COC(=O)C2CCN12,1,GDB ChEMBL
57322,CCC([NH3+])CC(=O)NCC(C)(O)C(N)=[NH2+],0,GDB ChEMBL
276312,N=C1CC(C(CNC(N)=[NH2+])NC=O)CC(=O)N1,0,GDB ChEMBL
75822,CC(=O)N1CCC2[NH2+]C(C)(C)C3(O)C2C13,0,GDB ChEMBL
185265,N=C1NCCCCS(=O)(=O)N1C(=N)C1CC1,1,GDB ChEMBL
348697,CCOC(=O)CNC(=O)c1cnc(C)c(=O)o1,0,GDB ChEMBL
130584,CC([NH3+])(CO)C1CC([NH3+])C(O)CN1,0,GDB ChEMBL
209859,CCCNC(=O)N1CC2CCC1(CC)C(C)C2,0,GDB ChEMBL
247214,NC(=O)CS(=O)(=O)N1CC1C(=O)[O-],0,GDB ChEMBL
207905,CC1CCN=C2NCCC(=O)CN2C(=O)O1,0,GDB ChEMBL
1066,CN=C(CO)OC(=O)NCC1NC(=[NH2+])OC1C,0,GDB ChEMBL
53053,CCNC(=O)OCC(O)CCO,1,GDB ChEMBL
53719,Cc1cnc(Br)c(NC2CCCCC2)c1,1,GDB ChEMBL
330514,CN=C1OC(C#N)CNC1C(=O)C(=O)OC,0,GDB ChEMBL
117450,CNC1C[NH+]2CC3C(C2)C3C1=O,0,GDB ChEMBL
132853,CC1CC(C)(O)CC1O,1,GDB ChEMBL
13139,Nc1cn(C2CC2([NH3+])C(=O)[O-])c(O)n1,0,GDB ChEMBL
173845,N#CCC12CCC(=O)OC1C(O)CO2,0,GDB ChEMBL
347937,CC1CNC=[NH+]CC1C(=O)[O-],0,GDB ChEMBL
107052,CC1CC2CCCCOC(C(C)[NH2+]1)C2NC=O,0,GDB ChEMBL
85696,CCCc1ncoc1C[NH2+]C,0,GDB ChEMBL
281833,C[NH2+]C1C=CC(CC2CCC2)C1CO,0,GDB ChEMBL
335527,CCC#CC#CC(CC(C)C[NH2+]C)OC,0,GDB ChEMBL
309788,COCC12NC(=[NH2+])NC1C(=NO)C2C(N)=O,0,GDB ChEMBL
76808,C#Cc1cc(Cl)c(OCC2CC2)c(CC)c1,1,GDB ChEMBL
271558,C=C1CCCC(C=C(C)C)CC1O,0,GDB ChEMBL
21580,CN=C([N-]C(=O)CO)S(=O)(=O)NC,0,GDB ChEMBL
292712,C#CCC#Cc1c(F)ccc(CC)c1C,1,GDB ChEMBL
361603,CC(C)(O)CC(=O)CNCC(O)(CO)CO,1,GDB ChEMBL
270072,C[NH2+]CC1CCC(C)CC1[NH3+],0,GDB ChEMBL
193323,C[NH2+]CCC1C=C(C)CC12CC2,0,GDB ChEMBL
244460,CC1=C(C(C)(C)C(=O)[O-])C(CO)CC1,0,GDB ChEMBL
394892,O=C1NC2CCC(O)C(=O)C1C2O,0,GDB ChEMBL
127696,CCN(C)c1c(C(=N)NC(N)=O)cn(C)c1N,1,GDB ChEMBL
94897,CC(=NO)C(NC(N)=O)C(O)C(=O)[O-],0,GDB ChEMBL
319177,CN1C(=O)C2C(C([NH3+])CN)C2(O)C1C#N,0,GDB ChEMBL
378575,NC(=O)C12CC3CC(C[NH2+]C3C1)O2,0,GDB ChEMBL
246788,CC(=O)NC(C(C)C)C1(CO)CN1,0,GDB ChEMBL
20785,C[NH2+]CC(C[NH3+])C1C2CC(C#N)(C2)CN1C,0,GDB ChEMBL
142380,CCC1CC2NC(=O)OC(O1)C2[NH3+],0,GDB ChEMBL
127161,OCC[NH+]=C1NCCCN1,1,GDB ChEMBL
325230,COC(CO)C(=O)NCC([NH3+])CC(N)=O,1,GDB ChEMBL
51845,CCC1CCC1CC(C)(C)[NH2+]C,0,GDB ChEMBL
102140,COCC(CC(=O)[O-])C(C)C,1,GDB ChEMBL
202465,Cn1nc([N+](=O)[O-])c([O-])c1C(N)=O,0,GDB ChEMBL
126896,CCCC1Oc2c(O)nc(N)nc2CC1O,0,GDB ChEMBL
38882,C#CCN(CC(=O)[O-])CC(=O)C1COC(=N)O1,0,GDB ChEMBL
83049,COC1Cn2ccc(CCO)c2CC12CC2,0,GDB ChEMBL
323139,CCN(CC#N)C(C)C1(CC#N)CC(O)C1,1,GDB ChEMBL
228435,C[NH2+]CC1C(CO)C1[NH+]=C(N)NC(C)=[NH2+],0,GDB ChEMBL
85833,CC#CC1(O)C(CO)CCC2CC1CCO2,0,GDB ChEMBL
388462,CCOCC([NH3+])C1NC1CC#N,0,GDB ChEMBL
105977,CC1([NH2+]CC2C(C#N)C2CO)CC1,0,GDB ChEMBL
259436,CC1OC2CCC3C2CC1[NH+]3C,0,GDB ChEMBL
203430,CCC(C1CCCC1)C1CCC(C)(C)C1,0,GDB ChEMBL
196718,C=CC1CC(C)(C)C=C1CCCC,1,GDB ChEMBL
288469,[NH3+]C12C=CC[NH+](CC1)C(CCO)C2,0,GDB ChEMBL
246430,CC(CC(N)=O)C(C#N)S(=O)(=O)[O-],0,GDB ChEMBL
31359,CCC(CC(CC)C(C)C)c1c(C)csc1C,1,GDB ChEMBL
61895,COC1CCC([NH3+])Cc2c(C(C)C)ncnc21,0,GDB ChEMBL
204596,CC1N2C(C(N)=O)CC1(NC(N)=[NH2+])C2C,0,GDB ChEMBL
181413,N#CC1C(=O)[N-]C(CO)(C(N)=O)C(N)C1O,0,GDB ChEMBL
284283,CC1CCN(C(N)=O)C(=N)OCC1[NH+]=C(N)N,0,GDB ChEMBL
105071,N#CCNc1nc(N)c(C[NH3+])s1,0,GDB ChEMBL
29817,COC1C(=O)C(C#N)=CCC1COCCO,0,GDB ChEMBL
338273,CC1=CCCC2(C=CCCC2C)CC1,0,GDB ChEMBL
195515,NC(=[NH2+])NCc1cnc(CO)nc1,0,GDB ChEMBL
156208,Nc1ncnn1CCN1CCOCC1,1,GDB ChEMBL
89675,CC(O)C1CC2C=CC(C)(C1)O2,0,GDB ChEMBL
173693,CCCC1n2cncc2CCC12C(C)C2C,0,GDB ChEMBL
377327,[NH3+]CCn1ccc2ccc(F)nc21,0,GDB ChEMBL
1974,CNC(=O)c1cc(NCCO)[nH]c1O,0,GDB ChEMBL
68671,CC(=O)C1(C)CCC(O)C(C)[NH+]1C,0,GDB ChEMBL
372729,COCC(=O)C1=CC(OC(C)C)CC(=O)N1,0,GDB ChEMBL
204313,C#CC(CC#CC)Cc1cc(C)cc(F)c1,1,GDB ChEMBL
124886,Cc1c[nH+]c(N)c(C)c1N(C)C,0,GDB ChEMBL
20538,COCC(O)C1OC2CC(=O)N3C2C13,0,GDB ChEMBL
192557,CN1CCNC(CC([NH3+])C(N)=O)CS1(=O)=O,0,GDB ChEMBL
225051,C#CC1(CCCOC)C(=O)COCCC1(C)O,0,GDB ChEMBL
6131,CCCC(CC)C1CCn2cccc21,0,GDB ChEMBL
285128,CC(O)C1C2OC2CC[NH+]1C,0,GDB ChEMBL
157501,CC1=CCCNC(=O)OC1CO,1,GDB ChEMBL
360843,CC1([NH3+])COc2ncccc21,1,GDB ChEMBL
140254,CCCC12CCCC(C1)C(C)C(CC)O2,0,GDB ChEMBL
344399,CCNc1ncn[nH]c1=O,1,GDB ChEMBL
162552,CC1=[NH+]C(CC=O)CCN1CC(C)(C)C,0,GDB ChEMBL
104364,CC1CC2C(=O)NCCC2CC1(C)C#N,0,GDB ChEMBL
203433,COC(=O)C1C2CC1(C)C2O,0,GDB ChEMBL
279948,N=c1[nH]c(C[NH2+]CC(=O)[O-])cc([O-])c1F,0,GDB ChEMBL
5350,CC([NH3+])C(O)C1C(CC(N)=O)N1CC[NH3+],0,GDB ChEMBL
41089,Nc1nc(NC(=O)CO)nccccs1,0,GDB ChEMBL
44656,CC1COC(C)(CCC([NH3+])(C[NH3+])CC(=O)[O-])C1,0,GDB ChEMBL
93776,CC(=O)c1cscc1C#N,1,GDB ChEMBL
127256,CC1CC1CC(N)C#N,1,GDB ChEMBL
153358,CCC1CC(CO)(C[NH2+]C)C1,0,GDB ChEMBL
268131,C[NH2+]C(C(C)=O)C(C(C)O)N(C)CC(C)=NO,0,GDB ChEMBL
53854,CC12CCCC3C(CCC[NH+]31)C2,0,GDB ChEMBL
89641,CC[NH2+]C(C(N)=O)C1CC1S(C)(=O)=O,0,GDB ChEMBL
102271,C[NH2+]CC(CNC(=O)NC=N)CC(=O)[O-],1,GDB ChEMBL
18806,C#CC1CCCOC(=NCC)C12CC[NH+](C)C2,0,GDB ChEMBL
298197,CC1C2CCN1C(C#N)CCC2S(C)(=O)=O,0,GDB ChEMBL
47502,C1C[NH+]2CC(CC3CCC32)O1,0,GDB ChEMBL
214408,CC1C(=O)C(CO)CC2OC21C,1,GDB ChEMBL
234374,CCCC1[NH2+]C(CC(C)C)C(C)(CO)C1=O,0,GDB ChEMBL
337095,CS(=O)(=O)NC1C([NH3+])CC(N)C1C(N)=[NH2+],0,GDB ChEMBL
379426,C#Cc1cc(I)c(C#N)cc1C#C,1,GDB ChEMBL
235884,CCCOCC(O)C1([NH3+])C(O)C1O,0,GDB ChEMBL
285761,CC1=CC2C=C(C[NH+]2C)C(N)C(=O)NCC1,0,GDB ChEMBL
114803,Cc1c(O)cc2cccn2c1C#N,1,GDB ChEMBL
238166,CC12CCC(=[NH2+])NCC1C(O)CO2,0,GDB ChEMBL
35437,CCC1CCC1(O)C1(C)CCC(OC)CC1,0,GDB ChEMBL
301413,C#CC(CC[NH3+])CC(F)(F)F,1,GDB ChEMBL
298206,[NH3+]C(C(=O)NCC[NH2+]CCO)c1cnoc1[O-],0,GDB ChEMBL
292900,CC(C)CC1CC[NH+](C)CC1C(C)C,0,GDB ChEMBL
196488,C[NH+](C)CCN1C2CCCCC21,1,GDB ChEMBL
101501,CCCc1cc(C)c(Br)c(CC(C)C)c1C,1,GDB ChEMBL
172326,COC1CC2(C)CC3CC1C2C3,1,GDB ChEMBL
374899,CNC(=[NH2+])NC1(C=O)C(O)C1N(C)C(C)=O,0,GDB ChEMBL
279085,CC1CC[NH2+]CC(N)C2CC12O,0,GDB ChEMBL
203461,COC1CCC2(C)C1C(C)CC2C(C)([NH3+])CO,0,GDB ChEMBL
354463,CCC[NH2+]C1(C)C2CCC1C(C)(C)C2(C)C,0,GDB ChEMBL
67830,CC1CCC(CC[NH3+])=CC=CC(O)CC1,0,GDB ChEMBL
41150,COC(C)C1CC2CCCC2[NH2+]1,0,GDB ChEMBL
94872,CC1C(=O)NC2CC(C2[NH3+])C1NC(N)=[NH2+],0,GDB ChEMBL
325246,CCC[NH2+]Cc1cccn1C,0,GDB ChEMBL
119688,CCN(CCN)C(=[NH+]C)c1cc(C#N)cn1C,0,GDB ChEMBL
318155,CC12CCCCC([NH2+]1)C(O)CC1CC12,0,GDB ChEMBL
345461,C[NH2+]Cc1ccc(=O)[nH]c1,0,GDB ChEMBL
27009,CC1CCN(CC(F)(F)F)CC2CC(C1)C2,0,GDB ChEMBL
370388,CC1C2Cc3c(Cl)cccc3C2C(C)(C)C1C,1,GDB ChEMBL
215722,NC1C[NH2+]CCCN2CC12,0,GDB ChEMBL
184099,Cc1sccc1NC1C(O)COC1C,1,GDB ChEMBL
284819,CN1C(=O)OCC1C(O)C=O,1,GDB ChEMBL
284811,CCc1c(C)c(Br)c(=O)n2c(C)cccc12,0,GDB ChEMBL
2087,CCCNc1ccn(CC(C)(C)CC=O)c1,1,GDB ChEMBL
340532,CC(NCC[NH3+])C(CO)NC=O,0,GDB ChEMBL
124329,Cc1ccc(N(C=N)C=O)nc1CO,1,GDB ChEMBL
394898,CCCC1(CO)OC(=O)C2C(O)C21,0,GDB ChEMBL
289278,COc1c(Cl)c(C)nc(N)c1Cl,1,GDB ChEMBL
194766,C#CCNC=[NH+]C(C)(C)CCC,0,GDB ChEMBL
334583,COC(=[NH2+])NCC(O)(C[NH3+])C(=O)[O-],0,GDB ChEMBL
129394,NC(=[NH2+])C1NC2C(NCC(N)=O)C2C1CO,0,GDB ChEMBL
149363,CCC1CC2CCC(C)(CC(C)C2)C1,0,GDB ChEMBL
378580,NC1(c2cnoc2)CC(CO)NC1=O,0,GDB ChEMBL
111935,CC1CC(C(=O)[O-])C([NH3+])C2([NH3+])CC12,0,GDB ChEMBL
258316,CC(C)C1CC2Oc3ccccc3C(C)(C1)O2,1,GDB ChEMBL
15541,[NH2+]=C1NCC2CCC(N1)C(O)C2[NH3+],0,GDB ChEMBL
363261,CN=COCC(CO)COCC1C[NH2+]CCO1,0,GDB ChEMBL
121466,NC(=O)C1CC(O)C1OCCO,1,GDB ChEMBL
32026,CNC(=O)C1CN=C(n2nccc2NC)O1,0,GDB ChEMBL
283384,[NH3+]CCOCC[NH+]=CNC1CC1,0,GDB ChEMBL
286853,C=C(C)COC(CO)C[NH2+]CC=O,0,GDB ChEMBL
157685,CC([NH2+]CC(N)=O)C12CC(O)(C=C1CO)C2,0,GDB ChEMBL
97110,CC1=CCC2C(C)OCCC12,0,GDB ChEMBL
174881,C#CC(CO)=C(CC)C[NH2+]CCC,0,GDB ChEMBL
333084,CCC1N=C(NC(N)=[NH2+])C(O)C1OC,0,GDB ChEMBL
386684,CN=C1OC(CO)C(OC)C2C([NH3+])C12,0,GDB ChEMBL
378563,CCCN=c1nc(CC[NH3+])ccc(=N)[nH]1,0,GDB ChEMBL
126824,CC1=CC(C[NH3+])C2C[NH2+]CCN2C1,0,GDB ChEMBL
137063,CNc1[nH]c2cccc(N)c2[nH+]1,0,GDB ChEMBL
140310,COC1C(C(=O)[O-])NC2CN(C(N)=[NH2+])C1C2N,0,GDB ChEMBL
71455,C#CC([NH+](C)CC1(C)COC1)C(C)(C)C,0,GDB ChEMBL
287345,CCC1(S(N)(=O)=O)C(=N)NC(=O)C1N,0,GDB ChEMBL
323346,COC1(C)COC1C(=O)[O-],0,GDB ChEMBL
317975,O=C1C(C=NO)C(O)C2OC(CO)CNC12,0,GDB ChEMBL
115922,CCC1CCCC2OC1C(=O)C2CC,0,GDB ChEMBL
339039,CC1(C#N)OCC(C[NH3+])[N-]C1=O,0,GDB ChEMBL
251453,CC(=O)C12CC(C1)C(C)[NH2+]C2CO,0,GDB ChEMBL
173895,CC(C)(C(O)C#N)C1CCC(NC(=O)CO)=N1,0,GDB ChEMBL
314157,COC1C2CC3(C)[NH2+]C2CC13,0,GDB ChEMBL
222126,CC1=C2CCCCC2(C)C(C)C1,1,GDB ChEMBL
126618,C#CCC(C)CC1(CCC)C2CC=CCC21,0,GDB ChEMBL
306366,C[NH+]1CC2CC([NH2+]CC3CC3)CCC21,0,GDB ChEMBL
114356,CS(=O)(=O)CC(C#N)NC(N)=O,1,GDB ChEMBL
46040,[NH3+]C1C(C2CC2)NC(=O)CC12CC2,0,GDB ChEMBL
122858,CCCCCC12C[NH2+]C(C)(C1C)C2C,0,GDB ChEMBL
87693,CCCCC1C(C)CC2CC(C)CC21,1,GDB ChEMBL
6517,CC(C#N)C1CCC(CO)C2OC12,0,GDB ChEMBL
243759,CC1C(C[NH3+])CC(C)(CC[NH3+])[NH2+]C1CO,0,GDB ChEMBL
235543,CCCC=CC1CC2(CC2)CC1=O,1,GDB ChEMBL
298966,C#CC(=C)C1(C)C=CCCC1CO,0,GDB ChEMBL
151128,CCCCCC1CCC(C)CC(C)C(CC)C1,0,GDB ChEMBL
392776,C=C1CCC(OC)C(C)OCC1C,0,GDB ChEMBL
6534,C#CC1C(O)CCC1(C#CC[NH3+])C(=O)[O-],0,GDB ChEMBL
269227,COCC12CCC(C)(CC1)[NH+]2C,0,GDB ChEMBL
51087,CC(O)C1C2CC[NH2+]C(C2)C1O,0,GDB ChEMBL
234476,CC[NH2+]C1C(O)C(C)OC1(CC)C(C)[NH3+],0,GDB ChEMBL
304087,C#Cc1ccc(F)c([N+](=O)[O-])c1[O-],1,GDB ChEMBL
278123,CNc1nc(NC(C)=O)nc(=NCC[NH3+])s1,0,GDB ChEMBL
119297,CCCCCCC1(C)CC(C)C(C)C1C,0,GDB ChEMBL
233904,CNC(=O)C(O)C1CNC(C(=O)C(F)(F)F)=N1,0,GDB ChEMBL
70088,CC([NH3+])C(C)CC1C=CC(C)(C)CC1C,0,GDB ChEMBL
280645,C[NH2+]C(CCOC)C(CN)C(CCOC)[NH2+]C,0,GDB ChEMBL
113558,CS(=O)(=O)c1ccccn1,1,GDB ChEMBL
202509,NC(=[NH2+])NCC#CC1COC1,0,GDB ChEMBL
21682,CCCC1(C(C)C[NH2+]C)CC(C)C(C)C(C)C1,0,GDB ChEMBL
251431,CN1CC=CCC(=O)C=CC(C)(C#N)C1,0,GDB ChEMBL
394866,CNC(=[NH2+])NC(C(N)=O)C(=O)N1CC1,0,GDB ChEMBL
51857,OCCC1Cc2cccc(Cl)c2CC[NH2+]1,0,GDB ChEMBL
277420,C[NH2+]CCC1CNC(=O)NC(=N)N1,0,GDB ChEMBL
284319,CCC(OC)C1CC2C[NH2+]C(C)C21,0,GDB ChEMBL
76694,C[NH2+]C(CNCC1C[NH2+]C1)C(O)C[NH3+],0,GDB ChEMBL
353587,CC1(C)[NH2+]C1CC1CCCO1,0,GDB ChEMBL
285572,Cc1ccc(C)c(C2CCC=CCC2)c1C,1,GDB ChEMBL
363814,CCC#CCc1cc(Cl)c(C)cc1Cl,1,GDB ChEMBL
50317,COC1C(O)CC([NH3+])C(C(N)=O)C1N,0,GDB ChEMBL
141888,Cc1cc(CCO)cc(I)n1,1,GDB ChEMBL
375678,C[NH+]1CC(CCO)C23CCC(C2)C13,0,GDB ChEMBL
296609,CNC(=[NH2+])N1CC(OC)C(C[NH3+])(CO)C1=N,0,GDB ChEMBL
143823,CCC1=CC(=O)C(C)(C)C1,1,GDB ChEMBL
240429,CC(NC(N)=[NH2+])=[NH+]CC(CCO)C(N)=[NH2+],0,GDB ChEMBL
17569,C#CC(C#C)(C[NH+](C)C(CC)CC)C1CC1,0,GDB ChEMBL
8755,CC1=CC(C)C2CCC(C(C)O)CC12C,0,GDB ChEMBL
279293,C=C(C=O)N(C)C(=O)COCCC,1,GDB ChEMBL
65630,CC1(C[NH3+])CC2COC2(C(=O)[O-])C1CO,0,GDB ChEMBL
88185,CCC(C)CCC(C)CC1CCCCC(C)[NH2+]1,0,GDB ChEMBL
112795,COC1CC(CC(C)O)C2OCOC(=O)NC12,0,GDB ChEMBL
301418,CCC[NH+]1C2C3CC4C(C(O)C32)C41,0,GDB ChEMBL
230460,C#CCC1(CCC(C)C)C(CC[NH3+])CC[NH+]1C,0,GDB ChEMBL
252653,CC[NH2+]CCCCC(C)(C)C,0,GDB ChEMBL
50252,COC1(CO)C(=O)C(O)C(O)C(O)C1C(N)=O,0,GDB ChEMBL
93751,C#CC(NCCC[NH3+])C(O)C(=[NH2+])NCC(C)[NH3+],0,GDB ChEMBL
198803,N#CC(CC1C[NH2+]CC1=O)NC(N)=[NH2+],0,GDB ChEMBL
40255,CN=c1cc(Br)c2ccc(C)cc2[nH]1,1,GDB ChEMBL
378949,COC1CC([NH3+])C2CC(C1)C1OC1C(=O)O2,0,GDB ChEMBL
8738,COC(=O)CC1(C)OCCC1[NH2+]CCCC#N,0,GDB ChEMBL
139777,CC1CC2(O)CCCCOCC1(CCO)CC2,0,GDB ChEMBL
323963,CC(O)CCCC(=O)NC1COC1,1,GDB ChEMBL
33547,CN(C(N)=[NH2+])C(N)=NCC(N)C#N,0,GDB ChEMBL
283381,O=C([O-])C(O)C1CC2(C[NH2+]1)CO2,0,GDB ChEMBL
389642,CCN(C=O)CC(=O)CO,1,GDB ChEMBL
181363,COCC(O)C(O)CCCOS(N)(=O)=O,1,GDB ChEMBL
308710,NC(=O)COC(=O)C1OC1CO,1,GDB ChEMBL
294218,O=C([N-]S(=O)(=O)CCO)C1C[NH2+]CCN1,0,GDB ChEMBL
225443,CC1CC2CC3OC3CC[NH+](C2)C1C,0,GDB ChEMBL
300664,C#CC[NH2+]C(C)C1(O)C2CC(C)CC21,0,GDB ChEMBL
79389,CC1CC1NC(C)C(F)(F)F,1,GDB ChEMBL
201348,CC(C)C([NH3+])CCC1=CCC(C)(C)CC=C1,0,GDB ChEMBL
378895,CC1CC2CC34CC[NH+]2C3CCC14,0,GDB ChEMBL
382209,CCn1cc(C)sc1=NC1C[NH2+]C(C)C1,0,GDB ChEMBL
338641,C[NH2+]C1CCC(=O)CC2CC[NH+](C)CC1NC2,0,GDB ChEMBL
141773,Brc1cc2c(cc1Br)CCCCCC2,1,GDB ChEMBL
120717,[NH3+]C12CC1(O)C(O)C(C(=O)[O-])NC2CO,0,GDB ChEMBL
392737,CC(=[NH2+])NC1C(C)C(C(=O)[O-])C(NC=O)C1O,0,GDB ChEMBL
149954,CC(CCC=O)C1CCc2ncc(Cl)cc2N1,0,GDB ChEMBL
127627,CC(C#N)CCC1Cc2ccc(Cl)cc2C1C,1,GDB ChEMBL
367626,CCC1CC2C=CC(=O)OC(C1)C1CC1[NH2+]2,0,GDB ChEMBL
75438,CC1(OCCO)CNC(=O)COC1,1,GDB ChEMBL
140809,C#CCC1CC(C)(CCCC[NH2+]CC)C1,0,GDB ChEMBL
363260,O=C([O-])C(N=c1[nH]cnc([O-])c1Cl)C(O)CO,0,GDB ChEMBL
377968,CC([NH3+])(C([NH3+])CCCO)C1CCOC1,0,GDB ChEMBL
159846,C#CC1CCC2(C1)CC1CCC(C2)NC(=O)C1,0,GDB ChEMBL
60640,C#CC(C#C)CCC(=O)NCC1CO1,0,GDB ChEMBL
115278,CCNC(=O)N1CC1(C)C,1,GDB ChEMBL
286279,Cc1c(O)cccc1CC=O,1,GDB ChEMBL
26940,COC(C)C1(C(=O)[O-])CC([NH3+])C(O)C1O,0,GDB ChEMBL
19611,CCOC=NC(CC)C[NH2+]CC(N)=O,0,GDB ChEMBL
26437,NC(=O)CC1C(=O)C2CC=CC1C2=O,0,GDB ChEMBL
281802,CC(O)C1CC2CCCC3(C)CCC1C23,1,GDB ChEMBL
258240,C#CC12CCCC[NH+](C(C)C1(C)CCO)C2C,0,GDB ChEMBL
228873,CC(=O)Nc1nc(C([NH3+])CCC[NH3+])co1,0,GDB ChEMBL
170290,Cc1scc(OCC[NH3+])c1N,0,GDB ChEMBL
142371,CC(C#CC(O)C#N)C1(CC(=O)[O-])CO1,0,GDB ChEMBL
184663,COC1C2C[NH2+]C(C(O)CO)C(C)C21,0,GDB ChEMBL
89118,COc1cc(CO)c(O)c2cnc(F)cc12,1,GDB ChEMBL
342347,CCNc1cc(OC)c2[nH]c(C)cc2c1,1,GDB ChEMBL
196491,CC1CC2CC=C(CC2)C(C)(C)C(O)C1,0,GDB ChEMBL
141691,CC1CCC2CCC(CCCCO)C12,1,GDB ChEMBL
305347,CCCC#CC1C=Cc2ccccc21,1,GDB ChEMBL
257553,C#CC(N)C(C(N)=[NH2+])N(CC)CC[NH3+],0,GDB ChEMBL
159847,C[NH+]=C(C)NCCCOC,0,GDB ChEMBL
40410,CCC1C2C(C)CCCCC1(C)CC2C,0,GDB ChEMBL
44346,CCC(N)C1(C(N)=O)[NH2+]CCC1O,0,GDB ChEMBL
174063,CCCS(=O)(=O)N(C)C(C)(C)C(=O)OCC,1,GDB ChEMBL
222185,CCn1ncc(OC)c1Nc1nc(C#N)cs1,1,GDB ChEMBL
101537,CCc1cc(=O)cc(COCC[NH3+])c(C)c1O,0,GDB ChEMBL
13133,CCC1CC2C=CCN2C(NC)=[NH+]1,0,GDB ChEMBL
109763,CC1OC2COC1C(O)C2C[NH3+],0,GDB ChEMBL
305167,CC1=CC(C(C)C[NH+](C)C)C=C(C)CC1,0,GDB ChEMBL
51406,CN(C=[NH+]C1CCOC(C)(C[NH3+])C1)C(N)=[NH2+],0,GDB ChEMBL
351431,CCC(C[NH3+])C1(C(C)(C)C)CCCO1,0,GDB ChEMBL
133945,CCCC1C2CC(CC2C)C1C1(C)CCCC1,0,GDB ChEMBL
338095,CNc1n[nH]cc1C(C)(C)CO,1,GDB ChEMBL
279118,N#CC12CN(CC1C1CCCCC1)C2,0,GDB ChEMBL
71265,C#CCCC1(O)CCC[NH+]2CC1C2,0,GDB ChEMBL
248624,COC1C=CC(=O)C1C,1,GDB ChEMBL
163406,C[NH+]=C(N)C(CC[NH3+])N(CC#N)C(N)=O,0,GDB ChEMBL
362983,CC(C)CC1OCCC([NH3+])C(CC(C)CO)O1,0,GDB ChEMBL
182517,CCC1C2CC=CC(O)C[NH+]1C1CCCC21,0,GDB ChEMBL
216135,C#Cc1cc(C2CCC2C)c(F)cc1C,1,GDB ChEMBL
114392,C#CCc1conc1CCCCC,1,GDB ChEMBL
319793,N#CCC1CCC(O)(CO)C#CCC[NH2+]1,0,GDB ChEMBL
88173,C[NH2+]CCC(C)[NH2+]C(C)CC(=O)C(C)[NH2+]C,0,GDB ChEMBL
50872,CCC1CC(CC)CC(C(C)(CC)C(C)C)C1,0,GDB ChEMBL
221135,CCC(=O)C(OS(N)(=O)=O)C(C)(CO)CO,0,GDB ChEMBL
236525,C#CC[NH2+]C1C2CCCOC21,0,GDB ChEMBL
354736,C[NH2+]C1CC(C)(C=O)C1(CC(C)O)OC,0,GDB ChEMBL
134004,COCCC1CNC(=N)NS1(=O)=O,0,GDB ChEMBL
84260,CCCC1(C)CC(c2ccccc2Br)CC1C,1,GDB ChEMBL
340459,[NH3+]C1CNC2C(O)C([NH3+])CC2C1O,0,GDB ChEMBL
288515,NC1C2CNCC([NH2+]CC(=O)[O-])C1OC(=O)N2,0,GDB ChEMBL
259588,COC1C=CCC12CC2,1,GDB ChEMBL
171299,CCCCC(C#CC#N)CC[NH3+],0,GDB ChEMBL
104623,CC1(C)C(=O)C2CCC2C1=O,1,GDB ChEMBL
348683,CCCOC(NCCN1CC1)=[NH+]C,0,GDB ChEMBL
380348,CCC1CC2CCC(C)C(CC)C2C(O)C[NH2+]1,0,GDB ChEMBL
127472,CCC1C2CC(C)[NH2+]CCC(C)C12,0,GDB ChEMBL
120875,CC(C)C(CC1C[NH2+]C2(C)CN1C2)C(C)C,0,GDB ChEMBL
177323,C#CC1CC1(CC)CC[NH2+]C,0,GDB ChEMBL
312881,CC[NH2+]CC1(C(O)CC#N)CC1,0,GDB ChEMBL
172743,CCC(C)(CC)C1C(C(C)O)CCCC1(C)C,0,GDB ChEMBL
218829,CC([NH3+])C1CC(O)C2([NH3+])CNC(=O)C2C1,0,GDB ChEMBL
191328,CNC(=O)CC1COS(=O)(=O)[N-]C1=O,0,GDB ChEMBL
92321,CC12CCC3CCC(CC3)OC1CC1CC12,0,GDB ChEMBL
338396,COC(=O)C1NCC2[NH2+]C(C(C)C2O)C1O,0,GDB ChEMBL
137390,C[NH2+]CC(CCNc1ccnn1C)CC(C)C,0,GDB ChEMBL
277772,C#CC(C[NH3+])(CO)C(=O)OC,0,GDB ChEMBL
275529,CCCC1C2CCCC(C)CCCC12,0,GDB ChEMBL
251804,Cc1c(Cl)ccc2c1C1(CC2)CC(C)(C)C1,1,GDB ChEMBL
204205,CCc1ncsc1CCC1(OC)C=CCC1,1,GDB ChEMBL
289838,CN1CCC2(O)CCOC(=N)C=C(C2)C1=O,0,GDB ChEMBL
276265,O=C1CC(O)CCCOC2(CNC(=O)O2)CO1,0,GDB ChEMBL
197189,CC1CC([NH3+])C2C(CC(C)(C)C)C12,0,GDB ChEMBL
395975,C#CC(=O)NC(CO)CC1[NH2+]CCC(O)C1N,0,GDB ChEMBL
224009,C#CC(C#CCC(C)C)COC,1,GDB ChEMBL
233414,CC(C)(CO)C1CC=CCCC1,1,GDB ChEMBL
4932,CC(=O)NC1C(C)C1([NH3+])CO,0,GDB ChEMBL
148503,CCC1C2C=CCC(C2)CC1CC(C)(C)C,0,GDB ChEMBL
66718,CCC(=O)N1CC(O)C1C(CC)CC,1,GDB ChEMBL
155111,C=CC(=O)[N-]S(=O)(=O)C1C([NH3+])C1(C)O,0,GDB ChEMBL
226282,C#CC#CC1(NS(C)(=O)=O)CCOCC1,1,GDB ChEMBL
115752,CC1CC2C(C)C(CC2(C)O)[NH2+]1,0,GDB ChEMBL
78650,CC(O)C(=O)NCC1OC(=N)C1N,0,GDB ChEMBL
75801,NC(=[NH2+])C1CC([NH3+])C2OC(=O)C1C2O,0,GDB ChEMBL
204409,CCc1nc2c(n1CCOC)CCC2C[NH3+],0,GDB ChEMBL
227487,N#Cc1c(CO)cc[nH]c1=[NH2+],1,GDB ChEMBL
307471,C=CC(C)C(=O)C(C)(C=C)CCC,0,GDB ChEMBL
334080,Cc1cn(C2(C[NH3+])CC2)cn1,0,GDB ChEMBL
119698,CC[NH+]1CCC=CCC1C(C)C,0,GDB ChEMBL
305182,CC1=CC(O)C2NC(=O)C([NH3+])C2C1(C)O,0,GDB ChEMBL
139786,C#Cc1cc(CCC)ccc1Br,1,GDB ChEMBL
99457,CN1CCCC[NH2+]CC#CC1=O,0,GDB ChEMBL
369858,CCCCCc1nc(C)c(C(C[NH3+])OC)s1,0,GDB ChEMBL
252691,C1=CCC2(CCCc3cccnc3C1)CC2,1,GDB ChEMBL
47519,N#CC=CC1COC(CO)CC1=O,1,GDB ChEMBL
203178,CC1CCC2(CCC(F)(F)F)C[NH+](C)CC12,0,GDB ChEMBL
129808,CCN(C(N)=O)C(=O)Cc1occc1C(C)C,1,GDB ChEMBL
242615,CCCNc1cc2snc(C)c2c(Cl)c1Cl,1,GDB ChEMBL
90347,CCC1C=C(C)C(=O)N1C(C)C(C)(C)[NH2+]C,0,GDB ChEMBL
363012,CCC([NH3+])C(C1OC1C[NH+](C)C)N(C)C,0,GDB ChEMBL
181410,O=C([O-])C12CC3CC(CO1)C2[NH2+]3,0,GDB ChEMBL
8742,CNC(=O)NC(=O)C1C=CC[NH2+]1,1,GDB ChEMBL
242677,O=C1NC(=O)C(CO)C(CNc2cn[nH]c2)N1,0,GDB ChEMBL
357676,NC1=NC2C(O)C(=O)N(C=O)C(=O)C2CO1,0,GDB ChEMBL
149434,OC1C2CC3COC(CCC[NH2+]2)C31,0,GDB ChEMBL
349978,C[NH2+]C1C(O)CC([NH3+])C(C)C1O,0,GDB ChEMBL
61806,N#CC(=O)OC1CNC(=O)C1O,1,GDB ChEMBL
276063,COCC1(O)C([NH3+])C1NC(N)=O,0,GDB ChEMBL
177199,CCCC1=CC(=O)CC(C)CC1(C)CC,0,GDB ChEMBL
224022,C[NH2+]C1CC(OC)C2OC2CC1(C)O,0,GDB ChEMBL
330927,Cc1cccc2c1OCCC(C)(C)N2C,1,GDB ChEMBL
228822,CCOC(=[NH2+])NCC1([NH3+])CC=C(CC)C1,0,GDB ChEMBL
44642,COC1CC2C(OC(C[NH3+])C[NH3+])OC1C2O,0,GDB ChEMBL
397971,COC(=O)NC(C)CC=O,1,GDB ChEMBL
207702,CCC1OCC(C(=O)N(C)C(=O)CN)CC1O,0,GDB ChEMBL
375162,CC(C)(C1CCC1CCO)[NH+]1CCNCC1,0,GDB ChEMBL
175709,CC1COC(=O)C(C)C(O)(C2CC2)C1,1,GDB ChEMBL
365704,[NH3+]CCOCC1CCC(O)CO1,0,GDB ChEMBL
363020,N#CC1CN2C(=NCC2CO)N1,0,GDB ChEMBL
3981,[NH3+]C1CC(C(=O)[O-])C1(O)C(=O)[O-],0,GDB ChEMBL
385388,CCC(C=O)C(O)COS(N)(=O)=O,1,GDB ChEMBL
99621,NC(N)=[NH+]C1CC1CCO,0,GDB ChEMBL
177222,CC1=CCCC1Cc1cc(O)cc(O)c1F,0,GDB ChEMBL
243367,CC(C)CC(O)C1C(O)C1O,0,GDB ChEMBL
228472,CCC1(O)CCC[NH+]2CCC(O)C21,0,GDB ChEMBL
140387,CCc1cc(CC(C)CC)c(C(C)C)cc1Cl,1,GDB ChEMBL
365782,O=C1OCC(S(=O)(=O)NCCO)C1O,0,GDB ChEMBL
29721,CC#CC1CC(C)=CC(C)(CCCC)C1,0,GDB ChEMBL
288170,Cc1[nH]c(=N)c(C=O)c(Cl)c1CCC#N,1,GDB ChEMBL
245515,C#CCOc1ccc(N)c2cc([O-])[nH]c(=O)c12,0,GDB ChEMBL
282204,CCC(C)c1ccc2c(F)ccc(F)c2c1C,1,GDB ChEMBL
351187,[NH3+]CC1C(CS(=O)(=O)[O-])C1[NH2+]CCO,0,GDB ChEMBL
161097,N#CC1CCC(CC[NH3+])COC2C(O)C2N1,0,GDB ChEMBL
271605,CC(C#N)C(C)CNC=O,1,GDB ChEMBL
81611,CCCCC1CC(O)(CO)C1[NH2+]CC,0,GDB ChEMBL
275674,CCC1(C)C(C)CCC2(C)CC(C)(C)CCC21,0,GDB ChEMBL
165612,C=CCCC(=C)C1CCC(C)C1O,1,GDB ChEMBL
78287,C#CCOCC1NC(=O)OC1C(N)=O,1,GDB ChEMBL
206985,CC(=O)C(NCC1(O)COC(=O)C1C)C(N)=O,0,GDB ChEMBL
325707,C#CCC(CC)Cc1c(C)c(N)cc(Br)c1Br,0,GDB ChEMBL
391281,CC1(C(=O)[O-])NCC12C[NH2+]CCCO2,0,GDB ChEMBL
184235,N#CC[N-]C(=O)Cc1cnns1,0,GDB ChEMBL
26898,CCCCC1(CC)C(C)CCCC(C)CC1[NH3+],0,GDB ChEMBL
5306,CNc1nc(=O)cnn1CC(O)CCO,1,GDB ChEMBL
109568,CCC(C)N1CC[NH2+]CCCN=C(NC=[NH2+])C1,0,GDB ChEMBL
130849,CCC(C[NH2+]CC(=O)[O-])C(C)C(C)C(C)=O,0,GDB ChEMBL
242980,CCC12COC(C)(C=CC1CC[NH3+])C2,0,GDB ChEMBL
204195,C=CC(=O)N(C(=N)S(N)(=O)=O)C(C)=O,1,GDB ChEMBL
76978,CS(=O)(=O)CC1CC(NC(N)=[NH2+])=CC(=O)O1,0,GDB ChEMBL
148363,CC1c2n[nH]cc2C[NH+]1C(C)C1CC=CC1,0,GDB ChEMBL
4985,[NH3+]C1CC2CCNC1C(=O)N2,0,GDB ChEMBL
181661,CCC(C)(C)CNc1cc(CC[NH3+])oc1C,0,GDB ChEMBL
284330,C#CCc1cc(C)c(O)c(C(F)(F)F)c1I,1,GDB ChEMBL
250675,CCCc1cc(Cl)cc(C#CC=O)c1Cl,1,GDB ChEMBL
75874,OCC(CC1CC=CC1)C1CC=CC1,0,GDB ChEMBL
136480,CC1(C)CCC2C[NH+](CC2=O)C1,0,GDB ChEMBL
203419,CCCCCCC(CC)C1CC(C)C(C)C1C,1,GDB ChEMBL
243782,CCCN1C2CCC(C(=O)[O-])C21,0,GDB ChEMBL
393506,C#CCC(C)c1sccc1C(=O)CCO,1,GDB ChEMBL
48012,CCCCCC(C)CC1CC=CC2CC1C2,0,GDB ChEMBL
368409,CC1OC1C([NH3+])C(O)Cc1cccs1,0,GDB ChEMBL
107810,CCCCc1cn2c(c1C)CC(C)C(CC)C2,1,GDB ChEMBL
40060,CCCCC[NH+]1CC=CC2(C)CC(C1)C2,0,GDB ChEMBL
78280,Cc1ccc2sccc2c1C#CC1(C)CC1,1,GDB ChEMBL
350703,COCc1cc2c(nc(=O)n1)OCC2C,0,GDB ChEMBL
384847,Cc1cccc(N)c(N)cc(N)c[nH+]1,0,GDB ChEMBL
263460,CCCC(O)C1CC(O)C1(C)C[NH+]=C(N)N,0,GDB ChEMBL
151751,Cc1c(C([NH3+])COCCC[NH3+])c(C[NH3+])nn1C,0,GDB ChEMBL
361650,CCC[NH+](C)C1C2C=CC1(CC)C2CC,0,GDB ChEMBL
161402,CCOC(C)(C(=O)[O-])C1(N)CCC(=O)NC1=O,0,GDB ChEMBL
124521,CC1CC2OC3C([NH3+])CC2CC13,0,GDB ChEMBL
385975,CC(O)CC(C(N)=O)C(C)C(C)C=O,1,GDB ChEMBL
116057,CC(C=O)CCCCC1CCC1,1,GDB ChEMBL
116620,O=S1(=O)C=CC(Cc2cncc(Cl)c2)N1,0,GDB ChEMBL
299169,CCC(C)CC(C)C(C)(C)C(C)(C)C(C)CC,0,GDB ChEMBL
184471,CS(=O)(=O)C(C[NH2+]CCO)C(N)=O,0,GDB ChEMBL
18916,CS(=O)(=O)NC1CNCC1=O,1,GDB ChEMBL
195469,C#CCC(CO)OC1CC1C,1,GDB ChEMBL
240453,CCCCCC1(C)CC2CCC1C2(CC)C[NH3+],0,GDB ChEMBL
169057,CCC1C=CC2[NH2+]CC(C1)CC2C,0,GDB ChEMBL
48700,CC1NC(=O)NC(=O)C12C1C=CCC12[NH3+],0,GDB ChEMBL
44076,COCC1(C)COCC2C(C1)C2C(N)=O,0,GDB ChEMBL
189843,Fc1cnc(C23CCCN2C=[NH+]C3)c(F)c1,0,GDB ChEMBL
288126,CC(C)Cc1ccc(Br)c(C(C)C[NH3+])c1C[NH3+],0,GDB ChEMBL
186645,CCCCCC12CC=CC(C)(C=CC1)C2,0,GDB ChEMBL
104686,Cc1cc(Br)c([O-])c(C([NH3+])CC[NH+](C)C)c1C,0,GDB ChEMBL
244605,C#CC(C)(NC(N)=O)c1cc(OCC)ccn1,0,GDB ChEMBL
385636,CCN(C(C)=N)C(=O)C(CO)c1ccc[nH]1,1,GDB ChEMBL
288511,CC1(CC[NH3+])CC2(CCNC(=O)COC2)C1,0,GDB ChEMBL
19413,CC1(CO)[NH2+]CC(=O)NC2CC21C,0,GDB ChEMBL
354143,C[NH2+]CCOc1c(C2COC(N)=N2)csc1N,0,GDB ChEMBL
215695,CC1CCOC1C1C(N)C1[NH3+],0,GDB ChEMBL
40232,CCCC(C(C)C)C(C)CC1CC1(C)C,1,GDB ChEMBL
203218,CC(C)C1N(C)C12CC[NH2+]C2,0,GDB ChEMBL
116404,COCC1NC(=[NH2+])N2CC([NH3+])C3C1C32,0,GDB ChEMBL
89093,CC1C([NH3+])CC2OC1C([NH3+])C2O,0,GDB ChEMBL
149430,COC1C([NH3+])C1C(CS(N)(=O)=O)C(=O)[O-],0,GDB ChEMBL
288672,CCC1CC=C(C(C)CO)CCCC1,0,GDB ChEMBL
161934,CCC([NH3+])C1(C)C=CC(O)C1C,0,GDB ChEMBL
28253,CCCC1(CC)Oc2ccc(Cl)c(CC)c2O1,1,GDB ChEMBL
29214,C=CCc1c(F)cc(O)nc1CO,1,GDB ChEMBL
341171,C[NH2+]CC1(CNC=O)OC2CC1N(C)C2,0,GDB ChEMBL
255528,C[NH2+]C1(C)CC(C(C)C)OC(CO)CC1C#N,0,GDB ChEMBL
201449,C#CC1=CC(C)C(CO)CC1,0,GDB ChEMBL
382568,CC1CC(C)(C#N)N(C)C1C#N,1,GDB ChEMBL
292692,CCC1CC1(OC)C(C)CC(C)[NH+](C)C,0,GDB ChEMBL
356499,CC(=O)N1CC2(O)CC12C,0,GDB ChEMBL
312575,N#CCOC(=O)CNCCS(=O)(=O)[O-],0,GDB ChEMBL
124891,CCC=CC#CC1(C(C)=O)COC1,0,GDB ChEMBL
24751,Cc1c(C2(C)CC2)ccc(C#N)c1Cl,1,GDB ChEMBL
235594,CN1CCC2OC2CCC1=O,1,GDB ChEMBL
161993,CCC1C2CC(C)CC1(C)C(C)[NH2+]C2C,0,GDB ChEMBL
193192,NC(=[NH2+])N1CC2OCc3nc(N)ccc3C21,0,GDB ChEMBL
287315,C#CCCC1CC(OC(C)(C)CCCC)C1,1,GDB ChEMBL
136700,CCC12CC(Cc3ccc(O)c(Br)c31)C2,1,GDB ChEMBL
332450,CNC(C(=N[O-])C(C)=O)C(C#N)(C=O)CO,0,GDB ChEMBL
147604,CCCC1(CCC(C)(C)C)CCCCC1C,0,GDB ChEMBL
366587,CCCC(O)C(C(N)=O)S(=O)(=O)[O-],0,GDB ChEMBL
209816,CCC1NC2CNC(CC2CO)C1[NH3+],0,GDB ChEMBL
299560,CC(C)CC(C)C1=CC(C)C(C(C)O)C1,0,GDB ChEMBL
218356,CC([NH3+])C1(C)C=CC2CC1CC(CO)O2,0,GDB ChEMBL
333925,CC(=O)C(CN1C(=O)CC(C)(O)C1=O)C(C)=O,1,GDB ChEMBL
351372,CCC(CC=O)COc1ccc(Cl)nn1,1,GDB ChEMBL
170101,C=C1C([NH3+])CC(NS(C)(=O)=O)C1C#N,0,GDB ChEMBL
80287,CC1(C[NH3+])CNC(=O)CCN1,0,GDB ChEMBL
228389,C#Cc1cc(OC(C)C)c(CCC(C)C)s1,1,GDB ChEMBL
181184,COC(=O)C(=N[O-])C1OC1C(=O)[O-],0,GDB ChEMBL
29975,C#CCC1(CCNC(C)=O)C(=[NH2+])N(C)CC1=O,0,GDB ChEMBL
177313,O=C1NCCC2(O)C3OCC(O3)C2N1,0,GDB ChEMBL
386186,NC(=[NH2+])OC1C[NH2+]C(CC[NH3+])C1,0,GDB ChEMBL
112578,CC1C2OCCC([NH2+]CC(O)C[NH3+])C12,0,GDB ChEMBL
44104,O=C1C(=O)n2cncc2CCC2CCN1C2,0,GDB ChEMBL
33537,CC1(CCC(O)C[NH3+])CC1C(F)(F)F,0,GDB ChEMBL
147969,CC1CCCc2c(Cl)cccc2OCC1,1,GDB ChEMBL
203233,NC(=O)C1CN=C(CC=O)N1,1,GDB ChEMBL
147971,Cc1nc(C)c(C2(CO)CC2C(N)=O)[nH]1,0,GDB ChEMBL
33264,C[NH+](C)CC1C2CCCC3(CO3)C21,0,GDB ChEMBL
41066,CC1CC2([NH3+])C(C[NH2+]1)CC1C[NH+](C)CC12,0,GDB ChEMBL
191555,C#CC1=CC2C(C)CCCC2C1,1,GDB ChEMBL
68669,C[NH2+]C(CO)C(O)C1CCC(CC=O)CO1,0,GDB ChEMBL
304335,C#CCC(C)CC(CC)CC(C)(C)C,1,GDB ChEMBL
175579,C[NH+]=C(N)OC1(C)CN(C(N)=[NH2+])C1,0,GDB ChEMBL
222544,CC([NH3+])CCC1CCC2CC1C(C)(O)C2,0,GDB ChEMBL
128276,COCCC(=O)C#CC1CC1,1,GDB ChEMBL
312841,C#CCCC1=C(C)C2C(CC[NH+]2C)CC1C,0,GDB ChEMBL
336019,O=CC1CCNC(=O)NC=CC(=O)N1,0,GDB ChEMBL
133146,CC[NH+]1CC=CC2COCCC(C1)C2[NH2+]C,0,GDB ChEMBL
353260,CCC([NH2+]C)C(O)C1C([NH3+])C1C[NH3+],0,GDB ChEMBL
267937,CCC(C)(O)C(CCO)OCc1cscc1C,1,GDB ChEMBL
115932,O=C([O-])C1C=CC2C=CCC([NH2+]CC2)C1O,0,GDB ChEMBL
278112,CCN1Cc2n[nH]cc2N2C(=N)CC2C1=O,0,GDB ChEMBL
254992,C#Cc1cc(N)cc(N)[nH+]1,0,GDB ChEMBL
228428,CC1CC(=O)C2C(O)CC3[NH2+]CCC132,0,GDB ChEMBL
62533,CC([NH3+])C1(C(C)CC#N)COC1,0,GDB ChEMBL
368394,C[NH+]1CCC2(COCC(C3CC3)O2)C1,0,GDB ChEMBL
227916,CC#CC1C=Cc2c(Cl)ccc(C)c2C1,1,GDB ChEMBL
36014,CCC(C)C1[NH+](C)C(C)C2CCCC21C,0,GDB ChEMBL
255551,CC1C2(O)CC(O)C1(C)C(CO)OC2=O,0,GDB ChEMBL
214928,CC1CCC2CCC3CC(C3)OC(=N)C[NH+]12,0,GDB ChEMBL
96050,C[NH2+]C(CC(C)CC(C)C[NH3+])C(C)OC=[NH2+],0,GDB ChEMBL
377938,CCOC1CC(C#N)(NC)CC1[NH3+],0,GDB ChEMBL
26987,[NH3+]C1CS(=O)(=O)NC12C(O)C2CC(=O)[O-],0,GDB ChEMBL
322813,C#CC1(C)CCCCC(C)C1C(F)(F)F,0,GDB ChEMBL
182924,CCC1(C)[NH2+]CC1(N)CCC(=O)[O-],0,GDB ChEMBL
279980,CCOC(=O)C12CNS(=O)(=O)C1C2(O)C=O,0,GDB ChEMBL
119399,CN(C=O)CCC1CC=CCCCC1,1,GDB ChEMBL
49099,CCCc1nc(F)c(O)c(CCC)c1N,1,GDB ChEMBL
17599,CC(O)C1(C[NH3+])CC(C([NH3+])CC[NH3+])N(C)C1,0,GDB ChEMBL
230230,CC[NH+]1C(C)CCC2(C(=O)COC2=O)C1C,0,GDB ChEMBL
39939,C[NH2+]C(C(=O)[O-])C1C2CCC1N(C)C(=[NH2+])O2,0,GDB ChEMBL
203245,CC1C(C[NH3+])C([NH3+])C2OC3CCOCC3(C)C12,0,GDB ChEMBL
197204,N=C1N(C(N)=[NH2+])CC1(CO)C(=O)[O-],0,GDB ChEMBL
341313,CNc1ncc(O)c(-n2cnnn2)n1,1,GDB ChEMBL
94720,C[NH+]=C(N)OC1C=CCC1C(N)=O,0,GDB ChEMBL
85670,CN=C(OC(=O)NC)c1noc(CO)n1,1,GDB ChEMBL
119456,C[NH2+]C1CCC(=O)NC1=N,1,GDB ChEMBL
316285,CCC(CC)CC1CC(C)(C)CCCC1(C)C,0,GDB ChEMBL
325697,CC(C)(CC(N)=O)C(=N)OC1C[NH2+]C1,0,GDB ChEMBL
275695,[NH3+]C1C(O)CC2(O)C(C(=O)[O-])[NH2+]CC12,0,GDB ChEMBL
288533,CC=CCC1C[NH2+]C2CC(C2)[NH2+]C1,0,GDB ChEMBL
132191,COC(=O)CC(=O)C(O)C(C(N)=O)C(=O)[O-],0,GDB ChEMBL
252690,CCCC1[NH2+]CCC1C1(CC(=O)[O-])CN1,0,GDB ChEMBL
308143,Cn1cc(C(=O)CS(C)(=O)=O)nn1,1,GDB ChEMBL
70307,NC(=O)Nc1cc[nH]c(=[NH2+])nccc(CO)n1,0,GDB ChEMBL
361181,C=CC(C[NH+]1CC=CC1)C(C)C[NH3+],0,GDB ChEMBL
260170,CC1CC=C(CC2CC2)C([NH+](C)C)C1(C)C,0,GDB ChEMBL
92322,CC1CC(C)(C)C(CCO)CC2CC1C2,0,GDB ChEMBL
119412,Cc1cc(CC#N)cc(F)c1N,1,GDB ChEMBL
150106,CC1CCNC(=O)OCC=C(C=O)C1,1,GDB ChEMBL
324299,NC(=O)C(O)C1[NH2+]C(C(=O)[O-])C2CC21N,0,GDB ChEMBL
203221,CCCC1C=CCC(C)C2CCCCC12C,0,GDB ChEMBL
304593,Cc1ncc(Br)c(C2CC2(C)C)c1C,0,GDB ChEMBL
367811,CC1CC2NS(=O)(=O)C(C(=O)[O-])C2([NH3+])C1O,0,GDB ChEMBL
76402,Cc1c(CO)ocnc(N)nc(O)c1C(N)=O,0,GDB ChEMBL
28302,C[NH2+]C(CN)C(C)C1CC1,1,GDB ChEMBL
245480,N#CC(O)CN1CC1C(=O)NC(=O)CN,1,GDB ChEMBL
308717,CCOCC(=N)N(C(=N)N)S(C)(=O)=O,1,GDB ChEMBL
34868,CCc1nc(CO)nc(=O)cc1CCO,0,GDB ChEMBL
201053,CCc1c(F)cc(CC#CC2CC2)nc1C,1,GDB ChEMBL
396090,CCC1C(C)CCC2CC(C)(CC)CC21,1,GDB ChEMBL
119226,CC(CC#CCC(F)(F)F)CC([NH3+])C1CC1,0,GDB ChEMBL
126820,OCCCC[NH2+]CC12CC1C1CN1C2,0,GDB ChEMBL
304466,COCCNCc1nc(I)nc(O)c1CC#N,1,GDB ChEMBL
227596,CC(C)(CC1CCCC1)CC1CC(C)(C)C1,1,GDB ChEMBL
42230,CCC1CN(C(C)=O)CC=C2C3CC3CC21,0,GDB ChEMBL
271472,CCC(C)C(C)CCC=CC(C)C,1,GDB ChEMBL
223300,C=CC1OC(=O)NC2CC2NC1C,1,GDB ChEMBL
104386,CC(C)C1CC2CC(C#N)(CO)C1C2C,0,GDB ChEMBL
244344,CC(C)C1=C2CCNC(=O)N2CC([NH3+])C1,0,GDB ChEMBL
391607,CC(C)C1C[NH+]=C(N)OC(C[NH3+])CC([NH3+])C1,0,GDB ChEMBL
177039,CC1C([NH3+])C(O)C2CC1[NH+](C)C2C,0,GDB ChEMBL
334066,C#CCC(C[NH3+])COc1c(Br)ccc(Br)c1C,0,GDB ChEMBL
348631,C#Cc1cc2c(C(C)(C)C)cc(Cl)cc2cn1,1,GDB ChEMBL
370292,C#CC1CC[NH+](C)C2CC2C1CC,0,GDB ChEMBL
325244,[NH3+]C1(c2ccc(O)cc2Br)CC1,0,GDB ChEMBL
20742,CC1NC2C[NH2+]C(CCC1=O)C1(COC1)C2,0,GDB ChEMBL
20131,CNC(C=O)C(CCC(C)=O)=NO,0,GDB ChEMBL
77387,COCc1cccc2c1C1CC1C(=O)C2C,0,GDB ChEMBL
351299,CNc1cc(C)c(Br)c(CO)c1Br,1,GDB ChEMBL
179987,CCC1C(N=C(N)NC=O)C1NC(C)=O,0,GDB ChEMBL
234484,CCC1(C)C([NH2+]C)CC2COC1C2[NH3+],0,GDB ChEMBL
23459,CCc1cc(Br)cc(Br)c1C(C)CCC[NH2+]C,0,GDB ChEMBL
41325,CC1CC2C=CC=CC(CC2)C1,0,GDB ChEMBL
78601,C#CCCC1=CCC2(C)CCCCC12,1,GDB ChEMBL
386201,CCCCCC1CCC(C#N)CN(C)C(C)=[NH+]1,0,GDB ChEMBL
277794,C[NH2+]CCC(C)[NH2+]C,0,GDB ChEMBL
173922,CC12CC(=O)C(C1)OCC[NH2+]2,0,GDB ChEMBL
395640,CC#Cc1ccc(CCC)cn1,1,GDB ChEMBL
46897,CCC1CCCN1c1ccco1,1,GDB ChEMBL
47223,N#CC1CC(CO)C1CC[NH3+],0,GDB ChEMBL
9896,C#CCC1C(C)CC([NH+](C)C)C1[NH3+],0,GDB ChEMBL
354805,CCC(CO)C(CC#N)C(C)C,0,GDB ChEMBL
247490,CC1CC(CO)CCC(=[NH2+])N1C,0,GDB ChEMBL
208452,CCC(O)CC(C)(O)C(=O)C1CCC([NH2+]C)C1,0,GDB ChEMBL
152609,Nc1sc(S(N)(=O)=O)c([O-])c1NCCO,0,GDB ChEMBL
137428,CCCCC1=CC2(C)CC(CCC1)C[NH2+]2,0,GDB ChEMBL
41045,C#CC1CC(C2CC(C)CC2C)C[NH2+]1,0,GDB ChEMBL
308134,CC(C1C([NH3+])C12CNC(=O)C2O)C(F)(F)F,0,GDB ChEMBL
122924,CC1=CC2COC2(CC[NH+]=C(N)N)C1O,0,GDB ChEMBL
106014,CC1CC2(C)CCCC=CC=CC1C2,0,GDB ChEMBL
146011,C#CCOCC1CNC(=O)C1[NH3+],0,GDB ChEMBL
26421,COC(=O)N(CC(N)=O)C(=N)NC=O,1,GDB ChEMBL
355001,CCC1COC(NC)=NC1C[NH3+],0,GDB ChEMBL
170091,CC(CCC(=O)S(N)(=O)=O)NC(N)=[NH2+],0,GDB ChEMBL
143795,COC(C(N)=[NH2+])C(=O)NC(C=O)C(N)=O,0,GDB ChEMBL
132886,C=C(CC)C(C#CC(C)O)C(=O)[O-],0,GDB ChEMBL
126900,CCCc1nc(CC)cn1C,1,GDB ChEMBL
308306,CC1CN(c2cc(CCO)n(C)c2)C1,1,GDB ChEMBL
40455,CCCC1C(C)C=CC1CC1CCC1,0,GDB ChEMBL
274847,C[NH2+]CC(N)C1OC(C)C(O)CNS1(=O)=O,0,GDB ChEMBL
127914,CCOCCOCCN1CC(C=O)C1,1,GDB ChEMBL
200996,C#CCC1CCC(=O)C(CC[NH2+]CC=O)NC1,0,GDB ChEMBL
115560,Clc1ccc2c(c1)CC1=CCC(CC2)C1,0,GDB ChEMBL
86747,CC[NH2+]C(CC)CCC(O)C(=O)CC,0,GDB ChEMBL
263203,CC(CCO)C1CC(C[NH3+])O1,0,GDB ChEMBL
377782,C[NH2+]C12CC(O)C(C(C)C)CN(C)C1C2,0,GDB ChEMBL
292265,NC(=O)C(OC1OCC2OC(=O)NC21)C(=O)[O-],1,GDB ChEMBL
35269,CC1CC2CC=CCCC(C)C(C)(C1)C2,0,GDB ChEMBL
331180,CCC1CCC2CCC(C)C3(CC3)C2CC1,0,GDB ChEMBL
333123,C#CCCC(C#N)n1ccc(NCC#C)n1,1,GDB ChEMBL
385640,CCC(NC(C#N)C(O)C=O)c1cn[nH]c1,0,GDB ChEMBL
65612,CCCC[NH+]1CC2=CC1C=CCC=C2,0,GDB ChEMBL
290165,CC#CCC1C2CC(C2)[NH+]1C,0,GDB ChEMBL
252904,CC1C2CC(CC1(C)C)C1CCC2[NH+]1C,0,GDB ChEMBL
234385,N#CC1[N-]S(=O)(=O)C2OC12C(O)CC[NH3+],0,GDB ChEMBL
209683,COC(CO)C1CC2C(C)N2C1,0,GDB ChEMBL
97178,N#Cc1ccc(COC2CCC2)cnc1=O,0,GDB ChEMBL
133045,CCC(CC)(CS(N)(=O)=O)C(CCO)[NH2+]C,0,GDB ChEMBL
53671,CC1C[NH+](C)C1(CCC(N)=O)CN(C)C,0,GDB ChEMBL
388240,CCc1ccnc(C)c(=N)c1O,0,GDB ChEMBL
132417,Nc1cc(Cl)c(CC=O)cc1O,1,GDB ChEMBL
334679,CC(=O)NC=NCc1occ(C#N)c1C(N)=O,0,GDB ChEMBL
281207,C#CC1=CCC(C(C)C)C2CCC12C(=O)[O-],0,GDB ChEMBL
301195,[NH3+]C1CC(O)C2OCC1C2O,0,GDB ChEMBL
269168,CC(C)CC1(C)CC2CCC(C1)C2C(F)(F)F,0,GDB ChEMBL
269159,CCC(CC)(C[NH2+]C)COC(=O)C(C)C,0,GDB ChEMBL
252573,Cc1cc(Br)c(C(F)(F)F)c(CC2CC2)c1,1,GDB ChEMBL
120668,COC12C[NH2+]CCC1C(C)(C)C2O,0,GDB ChEMBL
150099,CN1C(=O)NC2C(=O)CCC21C,0,GDB ChEMBL
198620,CCCOCc1cc(C)cn1CC[NH3+],0,GDB ChEMBL
48085,CCCC1CCC(C)(C)C(C2CC2)C1,1,GDB ChEMBL
141779,NS(=O)(=O)CCn1cncc1C[NH3+],0,GDB ChEMBL
363523,C#CC1C(CC)C[NH+]2CCC(C)C12,0,GDB ChEMBL
68609,C[NH2+]CC(N)C[NH2+]CC(C)CO,0,GDB ChEMBL
212546,C[NH+]=C(OCC(O)CO)N(C)C,0,GDB ChEMBL
4926,COc1nc(N)n2nc(N)nc2c1O,1,GDB ChEMBL
17570,CCCC12C=CC(CNC1=O)[NH2+]2,0,GDB ChEMBL
44572,C#CCC1C2CC(C)C1CCC(O)C(C)C2=O,0,GDB ChEMBL
51048,C#CCC1(C)C(CO)C[NH2+]C(C)C1C,0,GDB ChEMBL
115551,C#CC1(C)CC2(CCC(O)C[NH+]2C)CO1,0,GDB ChEMBL
354561,CCC1C([NH2+]C)C(=O)N1CC(O)C#N,0,GDB ChEMBL
157409,N=C1NC(C(N)=[NH2+])C(CC(O)C(N)=O)O1,0,GDB ChEMBL
77283,COC(N)=NC1C=CCC1=O,0,GDB ChEMBL
181716,C#CC(C)C1C2CC[NH+](CCCC)CC1C2,0,GDB ChEMBL
40241,CN1CC(C#CCO)C(C[NH3+])(C[NH3+])C1,0,GDB ChEMBL
362217,COCCC(O)CC(C)[NH+](C)CC(C)=O,0,GDB ChEMBL
304330,CC(O)C(C)C1C[NH2+]C(CO)C(O)C1,0,GDB ChEMBL
209869,Brc1ccc2c(c1)COCCCCC2,1,GDB ChEMBL
26322,CC1C(C#N)NCC1NC(=O)C[NH3+],0,GDB ChEMBL
281630,CCN1CC2([NH3+])CC(C2)C(CO)C1=O,0,GDB ChEMBL
283425,N#CC1CC2CCC#CCCCNC1C2=O,0,GDB ChEMBL
379267,O=CCCC1(CCOCC(F)(F)F)CC[NH2+]C1,0,GDB ChEMBL
258347,CCC(C)(OC)c1c(C)cc(C)c(Cl)c1C,1,GDB ChEMBL
23658,CC1=CCC[NH2+]CC=C1C(=O)c1cccs1,0,GDB ChEMBL
79606,CS(=O)(=O)NC1C(O)C[NH2+]C2CC21O,0,GDB ChEMBL
174669,Cc1cccc2c1CC1CN21,1,GDB ChEMBL
331154,CC1C(O)C(O)C2CC(N)C1[NH2+]2,0,GDB ChEMBL
133973,Cc1c2c(cn1CCCC=O)CC(C)O2,1,GDB ChEMBL
378247,Cc1cc(I)c2c(C)c(C)n(C(C)CO)c2c1,1,GDB ChEMBL
93430,CNC(=N)c1ncc(C(N)=O)s1,1,GDB ChEMBL
338532,CCC1C(CCC#N)CN1C(N)=O,0,GDB ChEMBL
47504,CCCC12C=CC(=O)NC1C([NH3+])C2,0,GDB ChEMBL
122682,NC(=O)NC1CC(C(O)C(N)=O)C1[NH3+],0,GDB ChEMBL
265530,C#CCCC1(CC)c2cccc(Cl)c2CC1C,0,GDB ChEMBL
121513,CC1COC1C1(O)C[NH+](C)C(C)C1C(=O)[O-],0,GDB ChEMBL
201128,Cn1ncc2c1C(C#N)(C(N)C#N)CC2,0,GDB ChEMBL
266234,C1CCC(c2nn[n-]n2)NC1,0,GDB ChEMBL
142922,CC1=Cc2c(CC#N)cc(Cl)cc2CC1,1,GDB ChEMBL
284695,CC1=CC(=N)OC(C(O)CO)C1,1,GDB ChEMBL
225824,CC(OC(=O)CNC=O)C([NH3+])CO,1,GDB ChEMBL
382136,CC1CN(C)C(=[NH+]c2ccc(I)cn2)N1,0,GDB ChEMBL
50987,C#CC1C(C)N1c1ccc(O)cn1,1,GDB ChEMBL
203335,C[NH2+]C1(C#Cc2cc(C#N)c[n-]c2=O)CC1,0,GDB ChEMBL
374916,CCC1C(CC)C2CCCC2(C)C1C,0,GDB ChEMBL
119436,C#CCC(C)CC(C)C(CO)C(C)(C)C,0,GDB ChEMBL
196724,CC1CS(=O)(=O)C2CCCN(C)CC2N1,0,GDB ChEMBL
222197,O=C([O-])c1cnccc1Br,1,GDB ChEMBL
239118,CC1OC(=O)CC1OC(N)=O,1,GDB ChEMBL
131931,CCCC(C)(C[NH3+])OCC1(C)C=CC(O)C1,0,GDB ChEMBL
271503,CNS(=O)(=O)CCOC(=O)CS(N)(=O)=O,1,GDB ChEMBL
83492,C#Cc1cc2c(c(F)c1CC)C(C)CC2,1,GDB ChEMBL
173115,NC1=NCC(CCC[NH3+])CCOC(=O)N1,0,GDB ChEMBL
276113,CCC(C)(C)c1c(O)cc(Br)c(C(C)C)c1C,1,GDB ChEMBL
328867,CNc1c(O)cc(C=O)cc(C)c(C)oc1N,0,GDB ChEMBL
35284,C[NH2+]CC1(C)COCC(=O)C(CO)CCC1=O,0,GDB ChEMBL
28343,CC[NH+]1CCCC23C4OC(C)CC(O4)C2C13,0,GDB ChEMBL
312574,C=CC(O)(C[NH+]=CN(C)C)C(=O)[O-],0,GDB ChEMBL
193803,CCC(=O)c1c(F)cncc1C1CCC1,1,GDB ChEMBL
338088,Cc1cc(N)c2ncc(C#N)cc2c1Cl,1,GDB ChEMBL
112781,CCC([NH3+])C1CC[NH2+]CCC(C)(C[NH3+])C1,0,GDB ChEMBL
274024,CC(O)C(C)NC(=O)C(=O)c1noc(CO)n1,1,GDB ChEMBL
161946,[NH3+]C(CC1C(O)C(C(=O)[O-])NS1(=O)=O)C1CO1,0,GDB ChEMBL
111584,C#CC(C)[NH+]1CCC2CC21,0,GDB ChEMBL
280878,COCC1OC(C(N)=O)C2(CN2)C1C(=O)[O-],0,GDB ChEMBL
244614,C[NH+]1C2CC2CCCC1(C)C,0,GDB ChEMBL
203190,[NH3+]C1CN(CCOC(=O)C(=O)[O-])C1,0,GDB ChEMBL
310277,C#CC1CCC(C#C)CC(CC)CC1,1,GDB ChEMBL
380263,CNC(=[NH2+])Nc1cc(CCCC(C)O)[nH]c1C,0,GDB ChEMBL
280862,CC(=[NH2+])N1CCOC2(CC2C)C1,0,GDB ChEMBL
43933,CN(CC1CC1NC=O)C(N)=[NH2+],0,GDB ChEMBL
337379,CCc1cc(Br)c2ccc(C)c(Br)c2c1CC,1,GDB ChEMBL
230499,Cc1cc2c(c3c1C1CC[NH2+]C1C3)CCC2[NH3+],0,GDB ChEMBL
379871,C[NH2+]CC(C)N1CC(C)(C2=CCOCC2)C1,0,GDB ChEMBL
292230,Cc1cc(CC2(C)CCCCC2C)ccc1F,1,GDB ChEMBL
267899,CC1OCCC1NC(=O)C(N)S(N)(=O)=O,0,GDB ChEMBL
393541,CC1=CC2CC3CCCC3(C)C1C2C,0,GDB ChEMBL
305833,N#CCC1(c2ccsc2)CNC1=O,0,GDB ChEMBL
240384,CC1CC2C(NS(C)(=O)=O)C2[NH2+]1,0,GDB ChEMBL
48039,CCCN1C(=N)N(CC(N)=O)C(C)(C)C1=O,1,GDB ChEMBL
216547,Brc1ccc2c(Br)cc(C3CC3)c(Br)c2c1,1,GDB ChEMBL
142538,CC12CC(NC(=O)O1)C2C#N,1,GDB ChEMBL
385942,C#CCC(CO)[NH2+]CCC(N)(C#N)C(C)O,0,GDB ChEMBL
225170,CN=C1OCOC(=O)C1(C#N)CNC(=O)NC,0,GDB ChEMBL
246408,C[NH2+]CC1OC2COC2(CO)CC1C,0,GDB ChEMBL
198822,C#CC(CC)c1c(C)c(F)cc2oc(C)cc12,1,GDB ChEMBL
61651,CCC1(COC)C2C3CC1[NH+](C)C32,0,GDB ChEMBL
253564,COCc1ncc(O)cn1,1,GDB ChEMBL
87680,CC1(C)CC2CCCCCC(C)(C)C(CC2)C1,0,GDB ChEMBL
348700,[NH2+]=C1NC2COC1C(C(=O)[O-])C2O,0,GDB ChEMBL
299957,O=C([O-])C[NH+]1CCC1,1,GDB ChEMBL
81085,CCC[NH2+]C1C=CCC2CC(C)OC21,0,GDB ChEMBL
105126,C#CC[NH+](C)CC(C)C(C)(C)O,0,GDB ChEMBL
85837,O=C1OCCN=C2COCCC1N2,0,GDB ChEMBL
80458,CS(=O)(=O)[N-]c1cc(O)c(N)[nH]c1=O,0,GDB ChEMBL
31820,C[NH2+]CC1(C(C)C)CC1S(=O)(=O)N(C)C,0,GDB ChEMBL
62777,CC(C)C(O)CC1(C)CC(C)C(CC[NH3+])C1,0,GDB ChEMBL
225344,CCCC1CC(CC)C(C[NH3+])(CCO)C(C)[NH2+]1,0,GDB ChEMBL
319354,CC(=O)NCC(O)C(C)[NH2+]C(C)C[NH+]=CN,0,GDB ChEMBL
135833,CC(=O)OCc1c(C=O)cnc(O)c1N,1,GDB ChEMBL
386674,CCC1CCCC12CCCOC2,1,GDB ChEMBL
305957,NC(=O)c1ncnc(O)ccnc(N)n1,0,GDB ChEMBL
300562,CC#CCC[NH+](C)C1COCOC1(C)C,0,GDB ChEMBL
70120,CC1CC=CCC2(CC=CC1)CC(C)(O)C2,0,GDB ChEMBL
33570,CC[NH+]1CC(O)C2C(C)CCC([NH3+])CC2C1C,0,GDB ChEMBL
2112,C#CC1C=CC(C)C1C(O)CC(C)C,0,GDB ChEMBL
325905,CC1C[NH2+]C(c2cnn(C)c2)C(O)C1C(=O)[O-],0,GDB ChEMBL
247561,CCCS(=O)(=O)[N-]C(=O)C(O)C(N)=O,0,GDB ChEMBL
153271,CC(CCNc1cnc(N)nc(=O)c1)[NH+]=CN,0,GDB ChEMBL
50241,COCC(OC(=N)NC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
195381,CC(C)c1c(F)cc2c(c1F)CCCCC2C,1,GDB ChEMBL
291888,CCCC1(C)CCCCC(C)(C)CCC1,0,GDB ChEMBL
319187,CC1=CC2CCC(CCC1=O)CC2,1,GDB ChEMBL
302648,CCCC(=O)NC(=N)S(N)(=O)=O,1,GDB ChEMBL
44968,CCC1=C(C)C(CCC[NH2+]C2CC2)CC1C,0,GDB ChEMBL
146925,CC[NH2+]CCCC(CC)C(C)=O,0,GDB ChEMBL
175699,O=C1NC(=O)C(CO)NCCC1O,1,GDB ChEMBL
235688,CN1CC([NH3+])CC2(C)CCCN2C1=[NH2+],0,GDB ChEMBL
70184,CN(CC#N)C(=[NH2+])CCN1CCC(O)C1=O,0,GDB ChEMBL
35467,CCCNC(=[NH+]C)c1ccc(CCC[NH3+])s1,0,GDB ChEMBL
354409,O=C([O-])CNC(=O)Nc1ncsc1[O-],0,GDB ChEMBL
141845,CC(C[NH3+])C(O)C(NC(N)=O)C(O)C(N)C[NH3+],0,GDB ChEMBL
26881,NC(=[NH2+])NCC(O)CC(O)C[NH3+],0,GDB ChEMBL
59243,CCC[NH2+]Cc1ccn(CCC(=O)C(N)=O)c1,0,GDB ChEMBL
295919,CCCc1[nH]cnc1N,1,GDB ChEMBL
227609,CCC(C)C1CCC(CC(C)C)C(C)(CC)C1,0,GDB ChEMBL
133006,CCC1=CC(C)CC2OCCC12C,0,GDB ChEMBL
342386,COC(C)C1(C)C[NH2+]C2CC21,0,GDB ChEMBL
288496,COC1C(C)C([NH3+])C2(CO2)C1O,0,GDB ChEMBL
297238,CC(O)CC1C(C)CCC1[NH3+],0,GDB ChEMBL
208341,CC1NC(=O)NCC(O)C2C(O)C12,0,GDB ChEMBL
141848,CCc1[nH]c(C)c2c1CCCC(=O)C(C)(C)C2,0,GDB ChEMBL
26893,CCC(C)CC(C)COC(C)CCC=O,1,GDB ChEMBL
251903,C#CC1C=CC(O)CC(COC)C1(C)[NH3+],0,GDB ChEMBL
322812,CCC1C2CCC1(C)OC1COCC(C1)[NH2+]C2,0,GDB ChEMBL
231156,CCC1(CO)CC(C(N)=O)N1C(N)=[NH2+],0,GDB ChEMBL
35447,CC1CCC[NH2+]C2C3(CCCC12C)CC[NH2+]C3,0,GDB ChEMBL
276157,C[NH2+]C1CCCC(C)(C)C(C)(C)CCCC1C,0,GDB ChEMBL
235693,CC1CC2CCC3CCC1C32C[NH3+],0,GDB ChEMBL
283250,CC1CN(C2CC2)CCN1C=[NH2+],0,GDB ChEMBL
59173,CN1CC(CCO)Cc2ncccc21,0,GDB ChEMBL
43506,[NH3+]CCC1C=CCC=CCC=C1,0,GDB ChEMBL
185279,COCC1C2C=C(C)CC1C(C)CC2C,0,GDB ChEMBL
214899,CCC(=O)OC(=N)COC(C(=O)[O-])C(=O)[O-],1,GDB ChEMBL
13132,COCCc1sc(C)nc1NC(=O)OC,1,GDB ChEMBL
157751,NC(=O)NC(=O)C1(N)CCOC1CO,1,GDB ChEMBL
305350,CNC(=O)OC1CC(C)CC12[NH+]=C(N)CC2O,0,GDB ChEMBL
79577,O=CC1CS(=O)(=O)C(CO)C(=O)OCCN1,0,GDB ChEMBL
112530,C#Cc1ccnc2c1NC(=[NH2+])CC2,0,GDB ChEMBL
174893,CC1C=CC(C(C)C[NH3+])C2CC(C)(C)CC12,0,GDB ChEMBL
334009,CCc1cnoc1C#CCC(N)=O,1,GDB ChEMBL
120671,CCC1(C)[NH2+]CC2CC(=O)C(C)C(O)C21,0,GDB ChEMBL
26807,COCC1C2C(CS1(=O)=O)C2(C)C(=O)[O-],0,GDB ChEMBL
53061,O=c1cc(O)cc2c(n1)NCCC2,0,GDB ChEMBL
261431,COc1c(OC(=N)C(=O)[O-])nn(C)c(=O)c1N,0,GDB ChEMBL
80350,CC1CCC2CC2C2CCCC2CCC[NH2+]1,0,GDB ChEMBL
101936,CCc1nccc(C(=O)[O-])c1COCCC=O,0,GDB ChEMBL
398833,CC(O)C1OCCC2(CCC2)NC1=O,1,GDB ChEMBL
153332,CN(C(=O)C[NH3+])C1(C)C2CNC1C(=N)O2,0,GDB ChEMBL
352175,CC1[NH2+]CCC1C(C=O)N(C(N)=O)C(N)=O,0,GDB ChEMBL
33836,C=CCOC1(CC)CCCC1(C)C,1,GDB ChEMBL
277104,COC1OC(N)=[NH+]CCC1O,0,GDB ChEMBL
249591,C#Cc1ncc(C#CC#CCC)cc1F,1,GDB ChEMBL
343956,Cc1c[nH]c2cccc(F)c12,1,GDB ChEMBL
336587,CCOC(=NCC[NH3+])N(CC#N)S(C)(=O)=O,0,GDB ChEMBL
291533,CCCC1(O)C2CC(O)C1C(OC)C2=O,0,GDB ChEMBL
366006,CCC12CCC(C)C(CC1)C(C)(O)C2,0,GDB ChEMBL
109571,NC(=[NH2+])NC1COC2C(C1O)C2(O)C[NH3+],0,GDB ChEMBL
340527,Cc1[nH+]c(C2CCCC2)cc(N)c1NC(C)C,0,GDB ChEMBL
78301,CCC(Cc1cccn1CC)[NH2+]C(C)(C)CC,0,GDB ChEMBL
338518,C[NH2+]Cc1cn(C)c(O)c1CO,0,GDB ChEMBL
252724,CCC([NH3+])C(C)(C)C1C(O)C[NH2+]C1(CO)CO,0,GDB ChEMBL
16069,CC1=CCC(Cc2ccc(C)c(F)c2)C1,1,GDB ChEMBL
94834,C=C1CC2C(CC)[NH+](C1)CC2(C)C,0,GDB ChEMBL
398214,NC(=[NH2+])NC1C(O)C(C(=O)[O-])C2(O)CC12N,0,GDB ChEMBL
112660,C#CCC1C=C(CC)CC1CO,0,GDB ChEMBL
13900,COc1cc2oc(C3CC(C)C3)nc2cn1,1,GDB ChEMBL
304446,C1=C2C(CCC1)C1CC[NH+](CC1)C2C1CC1,0,GDB ChEMBL
360859,CCN1C(=O)C(C#N)CC2CC1CC([NH3+])CO2,0,GDB ChEMBL
363579,C#CCC1(C)CCC[NH+]1C(C)C(C)C,0,GDB ChEMBL
100694,C#Cc1cccc(C(C)C#C)c1CO,1,GDB ChEMBL
203323,CCC(C)C1(C)CCC(C)OC1,1,GDB ChEMBL
34359,C#Cc1ccc(CC(C)CC)c(Cl)c1N,1,GDB ChEMBL
248200,Cc1[nH]nc(C[NH3+])c1NS(C)(=O)=O,0,GDB ChEMBL
358201,CCC1[NH+]2CCC1([NH3+])CC2,0,GDB ChEMBL
228776,CC#CC(CC)C[NH2+]C(C)C1CC1,0,GDB ChEMBL
80298,CCc1ccc(Br)cc1CCCC[NH3+],0,GDB ChEMBL
361011,CCOC1(C)CCC(C)([NH3+])CC1CC[NH3+],0,GDB ChEMBL
115927,CC1c2ccc(Br)cc2NCC=CC1[NH3+],0,GDB ChEMBL
95192,CCC1CC2C(CC([NH2+]C)C(C)=O)CC1C2C,0,GDB ChEMBL
115195,COCCC#CC(C)C,1,GDB ChEMBL
332385,COC1CC(O)C(O)C2NC12,0,GDB ChEMBL
165599,CC1C2CC(CC(=O)O2)C1[NH3+],0,GDB ChEMBL
375527,C#CCC(C)(C(=O)[O-])C1CCC1,0,GDB ChEMBL
48015,NC(=O)Nc1ncnc(NC=O)c1F,1,GDB ChEMBL
41117,C=CC1CC=C(C(C)C)C1CCC,0,GDB ChEMBL
277982,CN(CC[NH3+])c1nc(N)[nH+]c(N)n1,0,GDB ChEMBL
281183,CCOC1C(=[NH2+])N(C)CC1C,0,GDB ChEMBL
281840,CC(=NO)C1C2[NH2+]C(C(=O)[O-])C(O)C21O,0,GDB ChEMBL
307965,C[NH2+]C1CC(N)C(CO)[NH+]=C(N)C1C,0,GDB ChEMBL
70333,CC1CS(=O)(=O)C2C([NH2+]CC(=O)[O-])C2O1,0,GDB ChEMBL
296980,CNc1c(C)ccnc1OC,1,GDB ChEMBL
393579,NC(=O)NC1(CO)C2NC(=O)OC21,0,GDB ChEMBL
241101,O=C([O-])C(=O)NCc1c(Br)ccc(O)c1CO,0,GDB ChEMBL
245823,C#CCC1CC2C(C)C1(C)CC(C)[NH+]2C,0,GDB ChEMBL
282241,O=C(CC(O)C(=O)[O-])NCC1[NH+]=CN2CC12,0,GDB ChEMBL
174932,CC1CC2C(=O)N(C)C(C(C)[NH2+]1)C2O,0,GDB ChEMBL
345732,C=C(C(NCCO)C(N)=O)S(=O)(=O)[O-],0,GDB ChEMBL
194517,O=C1NCC2C=CC(CO)C12,0,GDB ChEMBL
181670,CCC(C)(C)[NH2+]CC1CCC(C)(C[NH2+]C)CN1,0,GDB ChEMBL
204351,C1=C2CCOCC2Cc2ncccc21,0,GDB ChEMBL
217384,CNc1ncc(CC2CC2C)s1,1,GDB ChEMBL
358175,CC(O)C(CCS(=O)(=O)[O-])N=CNC=O,0,GDB ChEMBL
273648,CC[NH2+]C1CC1CC(C=NO)CCCOC,0,GDB ChEMBL
132720,C#CC(CC)C[NH2+]CCO,0,GDB ChEMBL
352644,CNC(=O)C1C([NH3+])C1(O)C(=O)[O-],0,GDB ChEMBL
298070,CC1CC(C)(C#N)C(C)N1C(N)=O,1,GDB ChEMBL
349657,CC1CCOC2OC(=O)NC1C(O)C2C(=O)[O-],0,GDB ChEMBL
216474,CCC1C2C=CCCCC1CC=C2,0,GDB ChEMBL
71321,COC1CC[NH2+]CC2(N)C(=O)NC12,0,GDB ChEMBL
169414,CCCC1(C)CCC1CC([NH3+])CC,0,GDB ChEMBL
21849,CNC(=O)NC(=O)c1ncc([O-])c(Br)n1,0,GDB ChEMBL
40029,CCC1(O)C(CO)CC1C(N)=O,0,GDB ChEMBL
117399,NC(=[NH2+])c1cccscc([O-])c(N)c1,0,GDB ChEMBL
160376,CC(=O)NC1C2C(O)C(=O)NC(=N)C12N,0,GDB ChEMBL
135450,COC(C)C1C2(O)COCC12OC(C)=O,0,GDB ChEMBL
147222,CCCC1C=CC(CCNC=O)CC1,0,GDB ChEMBL
353981,COCCN(C(C)=[NH2+])C1(C)C(N)CC1O,0,GDB ChEMBL
288484,CCC(CO)C1CN2CC2C[NH2+]1,0,GDB ChEMBL
331720,CCc1cc(C)c2c(CC)c(C)cc(I)c2c1,1,GDB ChEMBL
252901,CC([NH3+])(CCS(=O)(=O)[O-])C(=O)[O-],0,GDB ChEMBL
26312,C=C1C=C(C)C(CCC)C1CCC,0,GDB ChEMBL
29729,C#CCC1CC1C1CCC(C)C1(C)CCC,0,GDB ChEMBL
383061,Cc1cc2n(n1)CCCN1CC(=O)C(=C2)C1,1,GDB ChEMBL
12754,CCCC1CCCC2C1C2(C)C(F)(F)F,0,GDB ChEMBL
214863,C#CC1COc2c(ccc(I)c2N)C[NH2+]1,0,GDB ChEMBL
177903,C1CC2CC2[NH+]2CC(C2)O1,0,GDB ChEMBL
41299,C[NH2+]CC(O)c1ccoc1,1,GDB ChEMBL
221726,C#CCC1(c2ncc(C)cc2Br)CC1,1,GDB ChEMBL
170137,CC(O)C[NH2+]CCCC[NH+]=C(N)n1cnnc1,0,GDB ChEMBL
7409,CCCC1C[NH+](CC)CC=CCC(C)(C)C1,0,GDB ChEMBL
125640,CC(O)C1CC=CC2OC2C1,1,GDB ChEMBL
304059,C#CC[NH2+]C(C)CC1C(C)C2CC1C(C)[NH+]2C,0,GDB ChEMBL
48778,CCC(C)CC1[NH2+]CCC1O,0,GDB ChEMBL
5313,CCC(C)N1C(=N)C(O)C1C(C)C[NH3+],0,GDB ChEMBL
263431,CC1CNC(=[NH2+])N2C(C(N)=O)C2C1O,0,GDB ChEMBL
351349,Cc1cc2c(c(C3CCOC3)c1F)CCO2,1,GDB ChEMBL
101898,[NH3+]CC1NC(=O)C(O)C([NH3+])C1C[NH3+],0,GDB ChEMBL
49154,NC1C([NH3+])CNC(C(=O)[O-])C([NH3+])C1N,0,GDB ChEMBL
126612,CC(=O)NCC(CC#N)n1ncnc1O,1,GDB ChEMBL
133044,NC(=O)OCC1CC(O)C2(C[NH2+]1)COC2,0,GDB ChEMBL
368489,Cc1ccc(C)c2c1CC(C(C)C)C2C(C)C,0,GDB ChEMBL
361797,C#CC(CCO)CN1CC1C,1,GDB ChEMBL
377957,CN(CC1(C(N)=[NH2+])CN1)C(=O)C(C)(C)CO,0,GDB ChEMBL
386532,CN1CC(=O)C(CO)CC(C)(C)C1,1,GDB ChEMBL
32022,CCC(C)C1CCC[NH+](C)C1C,0,GDB ChEMBL
204633,[NH3+]C1CCOC(=O)OC1=NC(CO)CC(=O)[O-],1,GDB ChEMBL
333650,CC1=CC=CC(=O)CC1(C)CC(C)CO,0,GDB ChEMBL
190032,COCC1OCC(C)CC12NC(N)=[NH+]CC2O,0,GDB ChEMBL
266471,C#Cc1cc2cc(C)ccc2c(Cl)c1Cl,1,GDB ChEMBL
48459,CC1C[NH+]2C(C(=O)[O-])C3CC(C12)S(=O)(=O)N3,0,GDB ChEMBL
95159,CC1CCCOCC1C1C2CC[NH2+]C21,0,GDB ChEMBL
298937,CCC1C(=O)CCNC(C)(C)C1[NH+](C)C(C)C,0,GDB ChEMBL
354879,CCC(CO)c1cc(Cl)c(CC#N)c(C)c1C,1,GDB ChEMBL
396781,CC(C)C1CC23CC1[NH+](C)C2C3,0,GDB ChEMBL
47680,CC1C([NH3+])C(C(=O)[O-])C([NH3+])C1CCO,0,GDB ChEMBL
215282,Cc1c(O)cc(C(C)CC[NH3+])cc1F,0,GDB ChEMBL
388414,COC1CC2OC(C)C(C)C2C1,0,GDB ChEMBL
269197,CCOC12C[NH2+]C(C)C1C(O)CC2C#N,0,GDB ChEMBL
332394,CC1C=CC(CC2CCC2)(C(=O)[O-])C1[NH3+],0,GDB ChEMBL
349489,CC(=O)CC1C[NH2+]CCO1,1,GDB ChEMBL
201008,CC(NCC(=O)[O-])=[NH+]Cc1nccs1,0,GDB ChEMBL
245486,C#CCC1C(C)CC([NH3+])C2COC1(C)C2,0,GDB ChEMBL
200538,CC1(C)CC(C[NH3+])CC1C1C(O)CCC1(C)C,0,GDB ChEMBL
170130,CC1(CC2CCC(=O)CC2(C)O)CC1,1,GDB ChEMBL
136485,CCC(O)C1C(=O)NC2CC1C2C,1,GDB ChEMBL
174797,C#CC1CC2C=C(C)CC(C)(C1)C[NH+]2C,0,GDB ChEMBL
17503,N=C1NCC(=O)N1C(=O)CCC1([NH3+])COC1,1,GDB ChEMBL
204604,CCC[NH2+]CC(=O)NC(=N)C[NH3+],0,GDB ChEMBL
370266,N#Cc1c(N)cc(C[NH3+])c2c1NC(=N)CO2,0,GDB ChEMBL
38585,CC(C)[NH2+]CC1(C)C=CC(OC(N)=O)C1,0,GDB ChEMBL
318792,CCC1(CC)CCC2(CC2)C(=O)O1,1,GDB ChEMBL
79568,CC(O)C(CO)C(CO)NC(N)=[NH2+],0,GDB ChEMBL
307939,CCC1CC(CO)C1(C)C(C)NS(C)(=O)=O,0,GDB ChEMBL
18695,C=C1CC2(CC2)C([NH2+]C)C1CCO,0,GDB ChEMBL
177116,CC12CCCC1CC1CN(C(N)=O)CC12C,0,GDB ChEMBL
202003,CCC1=C(c2c(C)ccc(Cl)c2Cl)CCC1,0,GDB ChEMBL
337787,COCC(NC(C)C#N)C(C)OC,1,GDB ChEMBL
381463,CNC(=[NH+]C(CO)C(N)=O)C(N)CC(=O)[O-],0,GDB ChEMBL
285590,[NH3+]CC1(NC(=O)COCC([NH3+])CO)CCC1,0,GDB ChEMBL
84915,Ic1cc(C2CC2)cc(I)c1C1CC=CC1,1,GDB ChEMBL
23590,CCC(CC)CCc1ccc(Cl)cc1Cl,1,GDB ChEMBL
394913,CCCC(CC#N)CCCC[NH2+]CC,0,GDB ChEMBL
313751,C#CCNC(=[NH2+])NC(C)(C#CC)CC(C)C,0,GDB ChEMBL
133188,N#CC1NC2C(=O)NCC2(O)C1N,0,GDB ChEMBL
194470,CC[NH2+]CCC1(C)OCCCCC=C1CC,0,GDB ChEMBL
62603,CC1=CCC(C)C2CC(N)C[NH+]2C1,0,GDB ChEMBL
305542,C#CC1=CCCC(CCC(C)O)C1[NH+](C)C,0,GDB ChEMBL
109147,NC(=O)OCC1=C(C(=O)[O-])CC2CN12,0,GDB ChEMBL
141907,CCC1(COc2c(F)cncc2F)CC1,1,GDB ChEMBL
190499,CCC(C)C1CC2C3CCC(C3)C2C12CC2,0,GDB ChEMBL
230505,CN1C(=O)OCC1C1(O)CCC1,1,GDB ChEMBL
174709,N#CCC(CC#N)(NC1CCC1)C(=O)[O-],0,GDB ChEMBL
196774,O=CC1(CC(=O)Nc2nccs2)CNC(=O)N1,0,GDB ChEMBL
174856,CCN1CCOCC(=NO)C1C(=O)C#N,0,GDB ChEMBL
181130,C#CC(O)C(=O)C1C[NH2+]CC1C,0,GDB ChEMBL
355364,NC(=O)C[NH2+]C1CN2CC1C2,0,GDB ChEMBL
16520,[NH3+]C1COCC(O)C(O)C(O)C(=O)NCC1O,0,GDB ChEMBL
29631,COCC(O)C1C(=[NH2+])NCC1C,0,GDB ChEMBL
271473,CNC(=O)N(C)C1C(O)CN2C(C)C12,0,GDB ChEMBL
31091,CC(C)(C#N)OCC(=O)[O-],1,GDB ChEMBL
42549,C#CCCCC[NH+]1C2CCC(C#C)(C2)C1CC,0,GDB ChEMBL
119432,CCCC1COC(CC)OC1=O,1,GDB ChEMBL
18330,CC1CCC2(c3ccccc3)C3C=CC1C32,0,GDB ChEMBL
331175,C#CCCC1CCC2=C(CCCCC2)CC1,0,GDB ChEMBL
26974,CC([NH3+])C(O)C([NH3+])COCC([NH3+])C(=O)[O-],0,GDB ChEMBL
288599,CCc1cc(F)cc(CC(C)C)c1C,1,GDB ChEMBL
130621,CC1CCN(C)CC(=O)CC(CCC=O)C[NH2+]1,0,GDB ChEMBL
271336,CC(CC[NH3+])c1cc(N)[nH+]c(CCO)c1,0,GDB ChEMBL
385385,CC1(OC(=O)CC(=O)C(C)(O)CO)CC1,1,GDB ChEMBL
155053,C[NH2+]C1CC[NH2+]C(C)(CCC(C)C)C1C,0,GDB ChEMBL
298080,CCCCC1C=CCCC2(CC(O)C2)C1,1,GDB ChEMBL
200768,CC1[NH2+]CC1c1cnn(CC(N)=O)c1,0,GDB ChEMBL
8685,CCOC1CCC1(C)Nc1cncnc1,1,GDB ChEMBL
398718,O=C1OC(CO)CC2C3CN3C(=O)N12,0,GDB ChEMBL
99632,CCC(C)C(C)NC=[NH2+],0,GDB ChEMBL
182122,C#CC1(C)CC(=O)C=CCC(C)CO1,1,GDB ChEMBL
257442,[NH3+]C(CCNC=CS(=O)(=O)[O-])C(=O)[O-],0,GDB ChEMBL
311693,CCC(=O)C1CC(=O)CC(CO)C(C(=O)[O-])O1,0,GDB ChEMBL
368472,CCn1c(C)ccc1C#CC(C)C,1,GDB ChEMBL
196483,C#CCC1(C)CCC(CN)[NH2+]1,0,GDB ChEMBL
340478,COC1(C[NH2+]C(C)(C)C)CC1,0,GDB ChEMBL
228806,CC(C)([NH2+]C1CC1)c1ccc(Br)cc1,0,GDB ChEMBL
280743,CC1C(O)C(O)C2CN1C2C#N,0,GDB ChEMBL
169355,CNC(=O)Cc1ncc(=O)[nH]c1N,1,GDB ChEMBL
276169,CC1C2CCCC(O2)C1CO,0,GDB ChEMBL
197422,CC(C1CC1)[NH+](C)CC(C)(CO)C(C)(C)C,0,GDB ChEMBL
176390,C[NH2+]C1(C)CC2C[NH+](C)CC3C2C31,0,GDB ChEMBL
48175,Cc1c[nH]c(C(N)=O)c1NC(=O)CO,1,GDB ChEMBL
394331,CN=C1NC(=[NH2+])Cc2ccccc2N1,0,GDB ChEMBL
87114,CC1CCCCC2(C)C1CC(CO)C2(C)C=O,0,GDB ChEMBL
97133,CC(C#N)OCC1CC1,1,GDB ChEMBL
235656,[NH3+]CC1(CCS(=O)(=O)[O-])OC1C(=O)[O-],0,GDB ChEMBL
375470,N=CNC(=O)CC1COC(=O)NC(CO)C1[NH3+],0,GDB ChEMBL
107003,NC(=O)OC=NCC(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
262248,CN1CCN=C(N)NC(=O)NC1=N,1,GDB ChEMBL
178052,CC1c2cc(=O)onc2NCCN1C,0,GDB ChEMBL
115437,O=CC1(CO)COC(=O)N1,1,GDB ChEMBL
283427,O=C1C=CC2COC1COCC[NH2+]CCN2,0,GDB ChEMBL
4861,CCOC1CCN2CC([NH3+])CCC1(C)C2,0,GDB ChEMBL
274615,CC1C(O)CC(C)(C)C1O,1,GDB ChEMBL
297283,COCC12CC([NH2+]C1C(=O)[O-])C2NC=O,0,GDB ChEMBL
234284,C=CC1Cc2cn(C)nc2NC1=O,1,GDB ChEMBL
61716,CS(=O)(=O)C1CC1C(=O)CO,1,GDB ChEMBL
112780,CC1Cc2cnoc2C[NH+](CCCOC=O)C1,0,GDB ChEMBL
74286,C#CC1(O)C2OC(CC2=O)C1(OCC)C(=O)[O-],0,GDB ChEMBL
136496,C#CC([NH3+])COC,1,GDB ChEMBL
355800,C#CC(C#N)C(C)CC1=[NH+]CCNC(C)CN1,0,GDB ChEMBL
340560,CCN(C)C(=O)NC(=O)n1ncnn1,0,GDB ChEMBL
43512,C#CC(CC)C(C)(CCCC(C)=O)C(C)CO,0,GDB ChEMBL
44368,CCc1onc2c(CC[NH2+]C)cc(C)cc12,0,GDB ChEMBL
108708,O=C1C=CCc2ccc(C3CC3)cc21,1,GDB ChEMBL
104722,CCCC1CC(C)(O)c2c1ccc(CC)c2Cl,1,GDB ChEMBL
31777,Cc1ccc2c(c1C)C1CCCOC(C)(C1)O2,0,GDB ChEMBL
71290,CCCC1CC[NH2+]C(C)C(CC)(CC)C1C#N,0,GDB ChEMBL
341339,CCN1C(C(=O)C(N)=O)=NC2CCC(O)CC21,0,GDB ChEMBL
318150,CNS(=O)(=O)C1C(=O)CNC1C(N)=O,0,GDB ChEMBL
67349,CC(O)C(O)(CCC[NH3+])C(C)O,0,GDB ChEMBL
97709,CN=C(NC=O)NC(=NCC(C)O)OCC[NH3+],0,GDB ChEMBL
180801,CC(O)C(C[NH3+])C(NC=O)C(N)=[NH2+],0,GDB ChEMBL
225880,CC1CC2NCC(NC1=O)C(O)C2[NH3+],0,GDB ChEMBL
110250,CCC1CCC(C)(C)C2C(CC[NH2+]C2C)C1,0,GDB ChEMBL
31810,COCC1(C)C2CCC1C1(CCC(O)C1)CO2,0,GDB ChEMBL
141893,CCC1=CCC2(CCC1)CC2COC,1,GDB ChEMBL
33145,C#CCOC(=O)N(C=N)C(N)=O,1,GDB ChEMBL
104740,C#CC1([NH3+])CC2C=C(C)C1OCC[NH2+]C2,0,GDB ChEMBL
204663,NC1(C[NH3+])CNC(=O)NC(=O)C2CC1CC[NH2+]2,0,GDB ChEMBL
111537,CC1(C)CC(C)(C)C2CCC=C(C[NH2+]1)C2,0,GDB ChEMBL
28987,CCc1cc(C(C)(C)CC)c(CC)c(C)c1C,1,GDB ChEMBL
165594,C#CC(N)C(=N)NC(=O)OCC([NH3+])CCC[NH3+],0,GDB ChEMBL
112395,CC1CC(COCc2cnccn2)[NH2+]1,0,GDB ChEMBL
240380,CC[NH2+]CC12CCC([NH2+]C1)C(CCC(N)=O)C2,0,GDB ChEMBL
127492,CCC[NH2+]CCOC1CC1,1,GDB ChEMBL
345748,CCN=C(N)C(=N)OC(=O)N(C)C,1,GDB ChEMBL
168424,N#CC1CCNCC1C#N,1,GDB ChEMBL
134788,CCCS(=O)(=O)NC1C2NC(=[NH2+])NC21,0,GDB ChEMBL
278844,COCC(Cc1nccc(=O)[nH]1)=N[O-],0,GDB ChEMBL
65621,C[NH2+]CC(C[NH3+])C1CCO1,0,GDB ChEMBL
256150,Cn1cccc1CC1(C)CC2CCCCC1C2,0,GDB ChEMBL
374186,CCC1OC1C(OC)C(C#N)CCC[NH2+]C,0,GDB ChEMBL
33142,CCCc1c(N)c(N)c(F)c(F)c1C(C)OC,1,GDB ChEMBL
330357,CC(=O)CC1(C)CC(C)=CCCC1C,0,GDB ChEMBL
152004,Cc1ccc(C2C3NC(=O)CC(C)C32)o1,0,GDB ChEMBL
321952,CCC(=O)NCC1NCCNC1=[NH+]C,0,GDB ChEMBL
372229,CC1CC1C1(O)CC(C)N(CC(=O)[O-])C1=O,0,GDB ChEMBL
273701,CC1(C(=O)[O-])C(O)CC2CC1S(=O)(=O)N2,0,GDB ChEMBL
334108,CCCC12CC(C=CCCC1[NH2+]C)C2,0,GDB ChEMBL
48514,O=C1COC(=O)Cc2n[nH]cc2N1,1,GDB ChEMBL
97744,CC1CCC([NH2+]CCNC=O)CC1,1,GDB ChEMBL
81414,CCC(C(N)=O)N(CC1NC1C)C(C)=O,1,GDB ChEMBL
133988,CCC(C)CC(C1CC1)C1CCC(CC)C1,0,GDB ChEMBL
225827,O=COC(CCO)CC1C(=O)CCN1CCO,1,GDB ChEMBL
174878,CC1(CC(=O)[O-])CC=CCC1,0,GDB ChEMBL
221937,CC(=O)N(CCc1cncn1C(N)=O)C(C)C,1,GDB ChEMBL
204444,COC1CC(CO)([NH+]=CNCC(=O)[O-])CCO1,0,GDB ChEMBL
320314,CCC1[NH2+]C(C)C2CC(C)(O)CC1(C)C2,0,GDB ChEMBL
382210,C#CCc1ccc(O)c(N)c1C1CCCO1,1,GDB ChEMBL
304864,C[NH2+]C1CC1C(C)CC(N)C#N,0,GDB ChEMBL
397086,CC1CC2C3CC1N(C)C(C#N)C23,1,GDB ChEMBL
84980,C[NH2+]C1C2CC(CCO2)C1C,0,GDB ChEMBL
29435,NC(=O)CC(=O)N1CC2C1CNS2(=O)=O,0,GDB ChEMBL
285744,CC(=O)CCCNC1COC1=N,1,GDB ChEMBL
230438,CCC1CC1c1ccc(O)cc1,1,GDB ChEMBL
281994,COC1C(CO)C1C(C)NC1C[NH2+]C1,0,GDB ChEMBL
389104,C#CCC1CC2CCCC1[NH2+]2,0,GDB ChEMBL
173165,C#CC1([NH3+])C2CC(C)CC1OCC(C[NH2+]C)N2,0,GDB ChEMBL
254269,N#CC(N)(CO)C(O)C1CNC(=O)O1,0,GDB ChEMBL
129585,CC(C#N)(C(N)CNC=O)C(C(N)=O)C(=O)[O-],0,GDB ChEMBL
39951,CNS(=O)(=O)CC1(C#N)CN1C(N)=O,0,GDB ChEMBL
34932,C#Cc1cc(C)cc(CCC(C)(C)CC)c1Br,1,GDB ChEMBL
73872,CNC1C(C)N(C(N)=[NH2+])C1C(O)C(N)=O,0,GDB ChEMBL
120879,CC1C(=O)C2OCCC1C2(C)C,0,GDB ChEMBL
93756,CC1=C(CC[NH3+])CN(C)C1=O,0,GDB ChEMBL
304824,CCCN(C1=NCC(O)C1)c1cc(C)nn1C,0,GDB ChEMBL
204403,CC[NH2+]C1CC(O)C(C[NH3+])(C[NH3+])C1(C)O,0,GDB ChEMBL
58505,CCCc1c(Br)cc2scc(N(C)C)c2c1Br,1,GDB ChEMBL
378900,C#CCOCc1c(C)c(C)c(Cl)c([O-])c1C#N,0,GDB ChEMBL
31418,CNS(=O)(=O)CC1C[NH+]=C(N)C(C#N)C1,0,GDB ChEMBL
242951,CC1COCC(CCNS(C)(=O)=O)C(=N)O1,1,GDB ChEMBL
94884,C#CC(CC)C(COC(N)=O)C(C)O,0,GDB ChEMBL
290149,COCC1CC2(CO)C(C)C2N(C)C1=O,0,GDB ChEMBL
157039,C[NH2+]C(CCO)C1(C)OCC=C1C,0,GDB ChEMBL
241117,NC(=O)C1[NH2+]CC2(O)C(O)COC12,0,GDB ChEMBL
304257,CC1CCC=C1C(C#N)C([NH3+])CC(=O)[O-],0,GDB ChEMBL
372123,Cn1cc2cc(Cl)c(Cl)nc2c1,1,GDB ChEMBL
284816,CCC1(C#N)C(=O)C(C[NH2+]C)C(OC)C1O,0,GDB ChEMBL
355198,CC(C)CC1CC1[NH2+]C1CC1,0,GDB ChEMBL
59635,CCCN(CCCOC)c1coc(C)n1,1,GDB ChEMBL
129427,CC1[NH2+]C2CCC(C)(C)C1C2,0,GDB ChEMBL
345505,CC12CC1(C(=O)NC(=N)N)C(N)C[NH2+]2,0,GDB ChEMBL
308293,CCC(C#CCC1(CO)CC1)C[NH2+]C,0,GDB ChEMBL
104693,C#CC1C2C[NH+](C)CC1C1CC21,0,GDB ChEMBL
27984,O=Cc1cccc(C2COC2)c1F,1,GDB ChEMBL
350917,C#CC1(Cc2ccccc2)CCC1C,1,GDB ChEMBL
300016,N#Cc1cnc(=O)c(=O)[nH]c(=N)c1,0,GDB ChEMBL
304082,CN(C)c1cn[nH]c1C(CO)C1CC[NH2+]CC1,0,GDB ChEMBL
209860,CC1=CCC(O)C2[NH2+]CCOC12C,0,GDB ChEMBL
271034,COCC#CCC=C1CC[NH2+]CC1,0,GDB ChEMBL
7819,[NH3+]CCN1CC1Cn1cnnn1,0,GDB ChEMBL
225407,CCCC(C)C(C)(C1CC[NH2+]CC1)C(C)(C)C,0,GDB ChEMBL
27938,CC1CC(C(=O)CNC=O)COC1(C)C,1,GDB ChEMBL
308694,CCCC1CC2(C)CCC(C(C)C2)C1C,0,GDB ChEMBL
233469,CCc1cc2ccc1CC=CC=CCC=C2,1,GDB ChEMBL
306389,Cc1ccc(I)c2c1NCC1CC1C2,1,GDB ChEMBL
227587,CCC(OC(C)C)C1[NH+](C)CC(C)(C)C1(C)C,0,GDB ChEMBL
204204,O=C1CCNc2sncc2CO1,0,GDB ChEMBL
160817,CC1(COC(CC(N)=O)C(=O)[O-])CO1,1,GDB ChEMBL
348617,C[NH2+]CC(C(N)=O)C1(C(O)CS(=O)(=O)[O-])CO1,0,GDB ChEMBL
109739,C[NH2+]CCC1CC1C(N)=O,0,GDB ChEMBL
24479,C[NH2+]CC1CC(C#N)[NH+]=C1N,0,GDB ChEMBL
380332,NC(=O)OCC1CC2OC2C1O,1,GDB ChEMBL
39811,COC(=O)N1C(=O)OCCCC([NH3+])C1C(=O)[O-],0,GDB ChEMBL
79362,Cc1snnc1COC(=O)NC(=N)N,1,GDB ChEMBL
263269,COc1ncc(N)c(=O)cc1S(N)(=O)=O,1,GDB ChEMBL
61539,CCC(O)CC(C[NH3+])C1CC(C)CC1(C)OC,0,GDB ChEMBL
190107,C=CC(CCC(=C)C)CC(C)CC,1,GDB ChEMBL
392714,COCC1(O)C2C(=O)CC(O)C(O)C(O)C21,0,GDB ChEMBL
260523,CC1C[NH2+]CC2C1C2(C)c1cccc(F)c1,0,GDB ChEMBL
288485,CCC1OC(C)C2CC(C)C([NH3+])C(CO)NC12,0,GDB ChEMBL
252913,CN1CC[NH+]2C3CC(C3)C2C1,0,GDB ChEMBL
121478,NC(=[NH2+])C1CC(=O)C2=CNCC(=O)NC2C1,0,GDB ChEMBL
120898,COC(=O)Nc1cc(=O)nc[nH]c1=O,0,GDB ChEMBL
252621,CCC1CC(C[NH3+])(CC(C)O)C(C)CNC1=O,0,GDB ChEMBL
17100,COC(=O)C(C(N)=O)C1C(O)C(O)C1C[NH3+],0,GDB ChEMBL
167335,CNC(=O)C1N(C=O)CC(C)C1(C)[NH3+],0,GDB ChEMBL
198804,CC(C)C1CCC2(C)CC(C2)[NH2+]CC(O)C1,0,GDB ChEMBL
48033,COCC12CC(=CCOC(C)C1)CC2=O,0,GDB ChEMBL
126971,C#CCC(CO)CS(=O)(=O)CC=CC,0,GDB ChEMBL
40889,CC(C)[NH+]1CCC2c3c(F)ccnc3CCC21,0,GDB ChEMBL
115599,CC#CC1C(C)C1CCCCCC,1,GDB ChEMBL
195395,CCC1C2CCCCC1C2C1CC1,0,GDB ChEMBL
238013,CNC(N)=[NH+]C1C2C([NH3+])C(=O)N(C)C12,0,GDB ChEMBL
104675,CC1(C2CC2)C[NH+]2CCNC1C2,0,GDB ChEMBL
127721,CC1CC2Cc3ccc(F)c4c3C2C1C4,0,GDB ChEMBL
292306,Fc1ccnc(F)c1C12CCC1OCCN2,0,GDB ChEMBL
59170,CNC(=O)c1cn2c(C)nc(OC)c2c(N)n1,0,GDB ChEMBL
123025,CC1C#CCc2ccc(F)cc2CCC1,0,GDB ChEMBL
263219,CC1CCC2C[NH+]2C2CCOCC1C2,0,GDB ChEMBL
340430,N#CCN=C1CC(N)C(=O)O1,0,GDB ChEMBL
281151,CC1CC1CC1C[NH2+]C1,0,GDB ChEMBL
194235,[NH3+]C1CCN2CCC1OCC(C1([NH3+])CC1)C2,0,GDB ChEMBL
336086,C#CC(C)Cn1c(C)cc2c1C(CCC)CC2,1,GDB ChEMBL
307550,CC1(c2cn[nH]c2)CC1C(N)=O,0,GDB ChEMBL
227915,N#CCN=C(N)C1(CO)NCCCCOC1=O,0,GDB ChEMBL
119650,C#CCc1cc(Br)cc(C#C)c1CC[NH+](C)C,0,GDB ChEMBL
87700,CC[NH2+]CC(O)(C[NH3+])C1OC(C)CC1O,0,GDB ChEMBL
63136,O=C(C1=CCCC1O)C1CC1,1,GDB ChEMBL
146954,CCc1ccc(C)c2c1CC(C)(C)CC2C,1,GDB ChEMBL
97201,C#CC(C)N1C2(CC2)C(=O)OCCS1(=O)=O,0,GDB ChEMBL
130447,CCC(C)OC(=N)C1CCCC1(C)CO,1,GDB ChEMBL
157068,CCCc1ccc(C)c(Br)c1CCC(C)CC,1,GDB ChEMBL
298930,C[NH2+]CC1OC(=O)C2C(=N)OC(C1O)C2O,0,GDB ChEMBL
203782,CC1C(O)COC(=O)C2CN21,0,GDB ChEMBL
236582,NC(=O)NCCC12CC[NH2+]C1C(CO)C2,0,GDB ChEMBL
261402,C#CC1(O)C(CC(=O)[O-])C12CCOCC2,1,GDB ChEMBL
146053,Nc1cccc2c1CC1(CCC2)C[NH2+]1,0,GDB ChEMBL
180951,Clc1ccc(C2C=CCO2)c(CC2CC2)c1,1,GDB ChEMBL
147387,CCOCC(O)CNS(C)(=O)=O,1,GDB ChEMBL
255080,CNc1csc(CCCO)c1N,1,GDB ChEMBL
228476,CC(C)C12CCCC(CCCC1C)C2,0,GDB ChEMBL
398972,NS(=O)(=O)CC1NC(=[NH2+])CC1O,0,GDB ChEMBL
251426,CCC1C(C[NH3+])NC1C[NH2+]C,0,GDB ChEMBL
241081,C[NH2+]CC(O)CCNCC(N)=[NH2+],0,GDB ChEMBL
284850,CC1CC([NH2+]C2CCCC2)C(C)C1O,0,GDB ChEMBL
67849,CNS(=O)(=O)CCN(C=O)C(=N)N,1,GDB ChEMBL
151703,CCCN(C(=N)OCC#N)C(=O)CO,1,GDB ChEMBL
296399,C#CC(CC)c1c(C=O)nn(C)c1NCCC,0,GDB ChEMBL
61703,CC(C)CCOC1CCC1O,1,GDB ChEMBL
140148,[NH3+]CC1NCC([NH3+])CS(=O)(=O)[N-]C1=O,0,GDB ChEMBL
375729,CCC1CCCC2C[NH+]2C1,0,GDB ChEMBL
312831,CCn1c(OC(=O)CC(C)O)cnc1C,1,GDB ChEMBL
375476,O=CC(CO)(CC(=O)[O-])C1C2CCC1[NH2+]2,0,GDB ChEMBL
318055,CCc1cc(C(O)(C#N)CC(C)C)cc(O)n1,1,GDB ChEMBL
310741,CC1CC=CC(C[NH+](C)C)O1,0,GDB ChEMBL
289397,C#CCC(C)(C)C12CCNC(=O)CC(C1)C2,0,GDB ChEMBL
264022,[NH3+]CCN1CC(Cc2cnn[nH]2)C1=O,0,GDB ChEMBL
223258,CC1C(N)C[NH+](C)CC2(O)CC12,0,GDB ChEMBL
268179,CCc1ccc(C23CC[NH+](CC2)C3)nc1F,0,GDB ChEMBL
99447,CCCC1(C)C([NH2+]C)CCC1(C(C)C)C(C)C,0,GDB ChEMBL
383341,N=C(N)N1CC(=O)C(CC(N)=O)C1=O,1,GDB ChEMBL
385355,C#CCCC(C)CC(C)C([NH3+])CC,0,GDB ChEMBL
363240,CNC(=O)C1(C=O)CCNC(=[NH2+])C1C(=O)OC,0,GDB ChEMBL
42588,CC1C(=O)CNC1c1c(C#N)ccc(N)c1O,0,GDB ChEMBL
67827,CC1C2CCC([NH3+])C#CCCN1C(=O)C2O,0,GDB ChEMBL
363034,CC1[NH2+]C(C)C(C(=O)[O-])C2COC12,0,GDB ChEMBL
305293,CCCN(C=O)C1CC1,1,GDB ChEMBL
38569,CC1[NH2+]C2CC(C(N)=O)N(C)C(C2)C1N,0,GDB ChEMBL
366573,CC(CO)c1c(C#N)nn(C)c1[O-],0,GDB ChEMBL
155999,CC[NH+](C)CC1=C(C)CCCC=CC1,0,GDB ChEMBL
118102,Cc1ccnc(C(N)C#N)n1,1,GDB ChEMBL
43522,CN1C(=O)C(N)(C(N)=O)C2OCC([NH3+])C(O)C21,0,GDB ChEMBL
118685,CC(CC(N)=[NH2+])C([NH3+])C1C(C#N)[N-]C(=O)C1O,0,GDB ChEMBL
174635,CCCc1cc(C)c(I)c(O)c1,1,GDB ChEMBL
288135,CCCN(C)C(C[NH3+])c1cc(C)c(Cl)nc1N,0,GDB ChEMBL
215710,Cn1nc(N)c2c1C(N)=[NH+]CCNC2=O,0,GDB ChEMBL
274195,C#CC1COCC([NH3+])C(OC)C1,0,GDB ChEMBL
153311,Cn1c(CC(=O)[O-])c(C(=O)NC=O)sc1=O,0,GDB ChEMBL
41140,CC[NH+](CC)C12CC(C(N)=O)N(C1)C2C,0,GDB ChEMBL
38501,CC(O)CC1[NH2+]CC2OCC1O2,0,GDB ChEMBL
38608,CCC(C)(C)CC1=CCC2C[NH+](C1)C2,0,GDB ChEMBL
375743,CC[NH2+]C1CCC(N)(C#N)C2CCCCOC12,0,GDB ChEMBL
89147,Fc1cc(F)c2c(c1)C1C3CC=CC2C31,0,GDB ChEMBL
252871,CC(C1CO1)N(C)CC(N)=O,1,GDB ChEMBL
307498,COC1C(O)C2C[NH2+]CCC1(C(C)=O)C(C)N2,0,GDB ChEMBL
45068,NC(=O)C1(C(=O)[O-])C[NH2+]C2CN1C2,0,GDB ChEMBL
282245,CN(C)c1c(CC[NH3+])cnn1C1CCC1,0,GDB ChEMBL
240771,C[NH2+]CC1C2CC(C)([NH3+])CC1N2C(N)=O,0,GDB ChEMBL
1051,O=C1NC(CO)CNC2C(O)C2O1,0,GDB ChEMBL
396779,CNc1c(C(=O)[O-])c(O)c2ncnnn12,0,GDB ChEMBL
387052,C=C(CC)C1C(=O)C=CC1C(=O)[O-],0,GDB ChEMBL
67573,CC(C)(C)NC(=O)C(COC(=O)CO)C(N)=O,1,GDB ChEMBL
252855,CCC(C)CCCC1(C(C)CC)CCCCC1,1,GDB ChEMBL
284336,CC(C)(C)C12CC1N(CC(=O)[O-])C(=N)O2,0,GDB ChEMBL
334486,C[NH2+]C(C=O)CCS(C)(=O)=O,0,GDB ChEMBL
305534,C1CCC2[NH2+]C(C1)C1COC3CN(C3)CC21,0,GDB ChEMBL
274157,CCC12CC1(C(C)C)CCCCC2C,0,GDB ChEMBL
20078,C#CCCNC(C#C)C([NH3+])(CO)CCC,0,GDB ChEMBL
258320,CC(O)C(C)NC(=[NH2+])CNc1ncns1,0,GDB ChEMBL
127188,CC(=O)CNc1cn(C)c(N)[nH+]1,0,GDB ChEMBL
103888,CC(CCNCC#N)OC(=N)C(C)(C)C#N,1,GDB ChEMBL
156194,CC(C)COCC(C)CC(C(C)C)C(C)(C)C,0,GDB ChEMBL
190010,CCC1CC2C=CC3CC23CC[NH+]1C,0,GDB ChEMBL
77533,CCC1CCCC(=N)OC1C(C)(C)CC(C)C,0,GDB ChEMBL
334334,CC(O)CCCC(C#N)NCC[NH3+],0,GDB ChEMBL
354594,CCCCc1c[nH]c(C)c1NC(C)=[NH2+],0,GDB ChEMBL
47258,CC1CCC=C2C[NH2+]CCCCC1C2(C)C,0,GDB ChEMBL
228913,CCCCC1CCC(C)C2OC12,1,GDB ChEMBL
330898,CC1C(O)CCCCC12CCC[NH2+]2,0,GDB ChEMBL
394867,CC=C1CCNC(=[NH2+])OC(C)C1C,0,GDB ChEMBL
87647,CCC(=O)NC(CC[NH3+])C1(C)CN1,0,GDB ChEMBL
115041,CCC1CC(C)(CC(C)C)CC1[NH3+],0,GDB ChEMBL
203617,C#CC(C#C)(CC[NH3+])c1cc(CCC)sc1C,0,GDB ChEMBL
265480,C#CCC(CCC)c1cc(F)c(N)c(C#C)c1,0,GDB ChEMBL
361183,CCCN(C)c1cncncnc(C)c(C)c1,0,GDB ChEMBL
270050,CCCC1C2CC(C)(CCC2C)C1CC,0,GDB ChEMBL
361809,CCC(O)C1NC(=[NH+]C)NCC([NH3+])C1C(=O)[O-],0,GDB ChEMBL
233899,CNC1C(C)OC2CC[NH2+]C21,0,GDB ChEMBL
384259,NC(=O)CC([NH3+])C(CCCC[NH3+])C1([NH3+])CC1,0,GDB ChEMBL
308701,COC(=[NH2+])NCC([NH3+])CC(O)(CO)C(N)=O,0,GDB ChEMBL
319790,CCOC1Cc2nccn2C(=O)CC(C)O1,0,GDB ChEMBL
255146,COCc1cc(NC(N)=O)n(CC#N)c1,1,GDB ChEMBL
44680,Cc1c(CO)c(N)cn1CCC1CC=CC1,1,GDB ChEMBL
372527,CC12CCCC1C1CC(O)(C[NH2+]1)C2,0,GDB ChEMBL
383738,CC1CC(CC(C)(C)C)C=CC1CC1CC1,0,GDB ChEMBL
64090,CNc1cc(C(N)=[NH2+])c(C)s1,0,GDB ChEMBL
274598,CCOC(C(=O)NC(C)C)C1CO1,1,GDB ChEMBL
309659,OCCC12C[NH+](CC1O)C2,0,GDB ChEMBL
103416,CC(=O)NCC1CC12CCCC2,1,GDB ChEMBL
71971,CN=C1OCC2CC1C(=O)NC(=O)N2,0,GDB ChEMBL
182119,CC1(O)C2CC(C(=O)[O-])(CC(=O)N2)C2CC21,0,GDB ChEMBL
370264,C#CCCCCC(O)CC(C)(C)CCC(C)C,1,GDB ChEMBL
356496,CC1CCC(C(=O)[O-])N2CC2C1[NH3+],0,GDB ChEMBL
107865,CN(C)c1cn(C)c(C(O)(CO)CCO)n1,1,GDB ChEMBL
138367,CCN(C(=N)OC)C(=O)OCC1(C)COC1,1,GDB ChEMBL
48125,CC(CC[NH3+])COCCC(=O)[O-],1,GDB ChEMBL
317208,CC1([NH3+])CCC=C(C2CCCCC2)C1,0,GDB ChEMBL
271046,CCC(=CCC1(C)CCCC1)CC,1,GDB ChEMBL
307521,CCc1cc(NCC2(C)CCC2)nc(I)n1,1,GDB ChEMBL
215473,CC1NC(=O)CC2NC(=O)N3C1C23,0,GDB ChEMBL
68640,NC12COC1CC(C[NH3+])NC2=O,0,GDB ChEMBL
11677,C#CCC1COCC1[NH2+]C1CCC1,0,GDB ChEMBL
29637,[NH3+]CC1OCC(O)(CC(=O)[O-])CO1,0,GDB ChEMBL
134783,C#CCCC1(C)CCCC(CCOCC)C1=O,1,GDB ChEMBL
117365,CCN1CC2(S(=O)(=O)CC)NC2C1C(=O)[O-],0,GDB ChEMBL
330739,O=C1NC2C3CC(O)C(O3)C2C1=O,0,GDB ChEMBL
249521,CC(=[NH2+])NCC1CCC(O)(CNC(N)=O)C[NH2+]1,0,GDB ChEMBL
76946,CC(C)C1CC2(CCC1C)C(C)CC[NH2+]C2C,0,GDB ChEMBL
171863,N#CCC(=N)N1CC(O)C(O)C1=O,1,GDB ChEMBL
50864,C[NH+]1CC=C(CCC[NH+]=C(N)N)CC1,0,GDB ChEMBL
130598,CC1=CCCC(O)C(=O)N1C,1,GDB ChEMBL
234372,CS(=O)(=O)NC(CN1CC1)C(=N[O-])C(=O)[O-],0,GDB ChEMBL
53832,CCC(O)CC1=CCC(O)CC1CO,0,GDB ChEMBL
84938,CC(CC#N)C1(CC[NH3+])CCc2cccnc21,0,GDB ChEMBL
236533,CCCC(C)[NH+]1CC=CC2(C1)C1C=CC2C1,0,GDB ChEMBL
91206,NC(=O)C1NC(=[NH2+])NCC(=O)NC1=O,0,GDB ChEMBL
84523,CC1CC2CCC1C2CCC(F)(F)F,1,GDB ChEMBL
181533,CCC1CC(C)=CC2CCC=CCC21,0,GDB ChEMBL
239091,CCC(CO)N(CC#N)c1nc(O)n(C)n1,1,GDB ChEMBL
70319,O=C1NC2C[NH2+]C(C3COCC2OC3)C1O,0,GDB ChEMBL
258229,Cc1cc(NC(N)=O)c2c(O)cnnn12,0,GDB ChEMBL
173680,CCCOC(=O)C1CCOC=N1,1,GDB ChEMBL
36169,C=CC(=O)N1CC2C(C)C1C1OC21,0,GDB ChEMBL
165957,CC(=N)N(CC(=O)[O-])C(=O)C(O)C(N)C#N,0,GDB ChEMBL
216460,CS(=O)(=O)NC(N)=NC1C[NH2+]C1CO,0,GDB ChEMBL
119893,Cn1cc(O)c(COCCCS(N)(=O)=O)n1,1,GDB ChEMBL
238566,[NH3+]CCN1CC2(COC2)C1=O,0,GDB ChEMBL
398722,[NH3+]CC(O)C([NH3+])CC1COC(=O)O1,0,GDB ChEMBL
328859,CCN(C(=N)CNCCO)C(=O)C(N)=O,1,GDB ChEMBL
194383,NC1=[NH+]C(Cn2cnnc2)COCCN1,0,GDB ChEMBL
125697,CCC1C2(C)CCCC1(C(C)C)[NH2+]CCC2O,0,GDB ChEMBL
62771,CC1=CC2c3c(C)cccc3CC23[NH2+]CC13,0,GDB ChEMBL
21555,CC1COC2C[NH2+]CC1C=CNC2=O,0,GDB ChEMBL
76820,CC(=O)NC(=O)NCC([NH3+])C(=O)[O-],1,GDB ChEMBL
323943,CCCOCC1C2C([NH3+])C(O)C(C)(O)C12,0,GDB ChEMBL
234208,CCC(CS(=O)(=O)[O-])NC=O,1,GDB ChEMBL
34166,Nc1nccc2c1C[NH2+]C2CCCO,0,GDB ChEMBL
297264,[NH3+]C1CC(C2C(O)CC([NH3+])C2O)CC1C(=O)[O-],0,GDB ChEMBL
76459,CCC1COCC(C(N)=[NH2+])N1C(C#N)C(C)C,0,GDB ChEMBL
366004,CCCN1CC(N)CC1=[NH+]C,0,GDB ChEMBL
136490,CCC1CC(CC)CC2(C1)CC1CC(C1)C2,1,GDB ChEMBL
177295,CC(O)C(=O)N1C=CC2(O)CCC1CC2,0,GDB ChEMBL
334787,Cc1ccc(C)c(C2C=CCC2C)c1,1,GDB ChEMBL
131674,CNC(=[NH2+])C(N)(C[NH2+]C)C(C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
372591,CC(CCC(C)(C)C)C(C)C1CC2CCC1C2,0,GDB ChEMBL
337147,C#CCC(CC[NH3+])C(C)C,0,GDB ChEMBL
358579,O=C1CCC2N1CC1=CCCC3CC132,0,GDB ChEMBL
33297,CCc1cnc2c(c1I)COCC(C#N)N2,1,GDB ChEMBL
174921,CC1OCCOC=NC(C(N)=O)C1C(=O)[O-],0,GDB ChEMBL
247545,CN1CCCOCC(O)C1=O,1,GDB ChEMBL
34313,CNC(=[NH2+])NCc1cn[nH]c1,0,GDB ChEMBL
114416,COC(=O)NC1(C)CC[NH2+]C1,1,GDB ChEMBL
104357,C#CC1CC(Cc2c[nH]c(=[NH2+])cc2Cl)CC[NH2+]1,0,GDB ChEMBL
140738,CCOCCC(=O)C1CCC(C)CC(C)CC1,1,GDB ChEMBL
398848,CCOC(C)CC(C)S(C)(=O)=O,1,GDB ChEMBL
202492,COCC1CC2C(C)=CC(N)C[NH2+]C2(C)C1,0,GDB ChEMBL
141884,C#CCC(=O)C(C)(C)CC[NH2+]C,1,GDB ChEMBL
273690,C[NH2+]C1C=C2C(C#N)C(N)C(=O)N(C)C2C1,0,GDB ChEMBL
157739,COCC1CC2CC(C)C1C(C#N)(CO)C2,0,GDB ChEMBL
249827,N#CC1NC2C(CCO)[NH2+]C(C(N)=O)C2C1=O,0,GDB ChEMBL
331465,CCc1c(C)c(Cl)cc(C(C=O)CC)c1Cl,1,GDB ChEMBL
276168,CCCCN1C2CC3CC[NH2+]C3CC21,0,GDB ChEMBL
379407,CCC(C[NH3+])N1C=NCCCC1=[NH2+],0,GDB ChEMBL
350939,Cc1cc2c(s1)OCCC(O)CNC2=O,1,GDB ChEMBL
151094,NC(=O)C(C[NH2+]C1CCC1)=N[O-],0,GDB ChEMBL
103870,CC1=CCCC(C)(CC(C)C)C1C(C)C,0,GDB ChEMBL
118353,CC(CCC(C)[NH+](C)C)CC(=O)COCC=O,0,GDB ChEMBL
283293,CC([NH3+])C(O)C1CN(C(=N)OCCO)C(=O)N1,0,GDB ChEMBL
382572,COC1CC(CC(N)=O)C1O,1,GDB ChEMBL
278837,CC1C2CC(C[NH3+])CC(CO)CC12,0,GDB ChEMBL
115716,CC(C)CCC1C=C(CCO)CCC1O,1,GDB ChEMBL
306273,Cc1cc(Cl)cc2c1C[NH2+]CCC2[NH3+],0,GDB ChEMBL
384272,CC(C[NH2+]CC(N)C(C)NC(N)=[NH2+])NC=O,0,GDB ChEMBL
117440,CCOC12C(C)CCCC1C2OC,0,GDB ChEMBL
277849,CCC1C2CCC(C=CC2C[NH2+]C)C1(C)C,0,GDB ChEMBL
92874,COC(=O)C(OCC=NO)C(O)CC(N)=[NH2+],0,GDB ChEMBL
222577,CCC1(C)CC2(CO2)C(C)C=CC(=O)N1,0,GDB ChEMBL
379181,CCC1C[NH2+]CC2=CC(C)CC2C1,0,GDB ChEMBL
205778,CCN1CC2(C)CC([NH3+])C1COC(=O)O2,0,GDB ChEMBL
305565,CC1CC2(C)CC1CCCC(C)(C)C(=O)N2,0,GDB ChEMBL
26935,C#CC1Cc2nccc(CC)c2C1,1,GDB ChEMBL
179448,CC1C=CC=CC=CCC=CC=C1,0,GDB ChEMBL
103402,CCC(C)CC(C)Cc1c(C)cc(C)cc1Cl,1,GDB ChEMBL
185283,CC1CC2C(C)C(C)C1C21CC(=O)NCC1O,0,GDB ChEMBL
120720,O=Cc1ccnc(O)c1Cl,1,GDB ChEMBL
208344,C=CCn1ccc(=O)c(C)c1CC,1,GDB ChEMBL
354851,CCC([NH3+])C(C)C1CC(C)=CCC(C)(O)C1,0,GDB ChEMBL
389075,CC[NH+]=CN1CCC(O)CC1CN(C)C,0,GDB ChEMBL
368465,CC1CC([NH3+])C[NH2+]C(C)(C)C2CC2C1,0,GDB ChEMBL
324255,CC(C)CC([NH3+])C1CC2COC2C1,0,GDB ChEMBL
352707,CC1CCC2CC2C2C=C(C[NH2+]2)COC1=O,0,GDB ChEMBL
22507,CC(C)CC1C(C)CCC2CCCC21C,1,GDB ChEMBL
240832,C=CC(C[NH2+]C)OC1=NCC([NH3+])C1,0,GDB ChEMBL
296078,O=CCCC(O)(CO)C(=O)[O-],0,GDB ChEMBL
346987,[NH3+]CC1CC2C(CCO1)OC1CNC(=O)C2C1,0,GDB ChEMBL
147550,CC1[NH2+]CC(N)C(O)C2(C)CC12,0,GDB ChEMBL
339983,COC(=O)C(C)(C)C(=O)C1COCOC1,1,GDB ChEMBL
116101,CCC(=[NH2+])NCC1NCC[NH2+]CC1C(=O)NC,0,GDB ChEMBL
142920,CCn1cnc2c(c(=O)c1=O)N(C)C(=O)C2,0,GDB ChEMBL
286982,C[NH2+]C1CCN2CC2C([NH3+])CCC1C,0,GDB ChEMBL
22489,COCC(=O)Nc1ncon1,1,GDB ChEMBL
317139,CC12NC(C(N)=O)CC1CNS2(=O)=O,0,GDB ChEMBL
394943,CC1N=C(C[NH3+])OC(C[NH3+])C(O)C1C[NH+](C)C,0,GDB ChEMBL
348805,CCC1CC2C([NH3+])CC=C3CCCCC1C32,0,GDB ChEMBL
19668,C=CC12CC=CC1C(C)CC2OC,0,GDB ChEMBL
377021,[NH3+]C1C(O)C[NH+]2CCC(C2)C2COC12,0,GDB ChEMBL
396777,C#CC1=CCC2(CCc3ccccc3O2)C1,0,GDB ChEMBL
107864,CC1CCC(OC2CC2)C1(C)C,1,GDB ChEMBL
275636,CCC(C)C([NH3+])C1(C)C(=O)OCC1[NH2+]C,0,GDB ChEMBL
125597,CCCOC1CC(O)C(O)C2(C[NH2+]C2)O1,0,GDB ChEMBL
236655,CC[NH+]1CC=CCCC=CC1C(C)(C)C,0,GDB ChEMBL
190519,CCC(=O)Nc1nc(=[NH2+])n2cncc2cc1[O-],0,GDB ChEMBL
250673,CCC1Cc2c(O)c(O)c(Br)c3ccn1c23,0,GDB ChEMBL
171868,C[NH2+]CCC#CC[NH2+]C1CC1,0,GDB ChEMBL
47339,Cc1cn2c3c(c(I)ccc13)C(C)(C)[NH2+]CC2,0,GDB ChEMBL
363532,C#CC(CCC(F)(F)F)C(C)(C)C(C)[NH3+],0,GDB ChEMBL
277871,C[NH2+]CC(O)C1C2NS(=O)(=O)CC21[NH3+],0,GDB ChEMBL
328905,CC(=O)OC1CC2CC2(C)C(C(=O)[O-])C1O,0,GDB ChEMBL
362615,C#CC1=CC(C)CCC=CCCC(C)C1,0,GDB ChEMBL
246421,CCNC(C(C)[NH3+])C1CC2C[NH+](C)C1C2O,0,GDB ChEMBL
184907,CCC1=CCCC=CC(C(C)(C)O)C1,1,GDB ChEMBL
358609,CC(=O)C1(O)C[NH+]2CCC(O)C1(C)C2C,0,GDB ChEMBL
311691,C=CCC(C)COC(C)(C)C#CC,1,GDB ChEMBL
354434,O=C1NCC(C(=O)[O-])(C2CN(CCO)C=[NH+]2)O1,0,GDB ChEMBL
240388,Cc1cc(C2(CC=O)CC2)c(N)c(Cl)n1,1,GDB ChEMBL
317719,CCCCC(C)(CC)C(CC)CC(C)CCC,0,GDB ChEMBL
363772,OCC[NH2+]C1CC=C2CCC(C2)C2(CC2)C1,0,GDB ChEMBL
366767,Cc1c(C(CCO)C(C)C)cnc(O)c1C#N,0,GDB ChEMBL
48491,CC(C(N)=O)C(O)C(N)C#N,1,GDB ChEMBL
260517,C[NH2+]Cc1scc(N)c1CO,0,GDB ChEMBL
197469,CCC1CC2C(C)C=CC(CC)C2C1,0,GDB ChEMBL
313365,C#CC1=CC(C2CC2)N(CC)S(=O)(=O)CCC1,0,GDB ChEMBL
50974,[NH3+]CC=CC(=O)n1ncccc1=O,0,GDB ChEMBL
372599,C#CC1CC(CC2CC2)C=CC(=O)N1,0,GDB ChEMBL
151137,CNC(=[NH+]C)N(C)CC(C)[NH3+],0,GDB ChEMBL
283949,N#CCC1(CO)C=CC(NC=O)C(=O)O1,0,GDB ChEMBL
387033,C=CC(C=C)CC(C)CC(C)(C)C,1,GDB ChEMBL
396066,C[NH2+]C(C(C)C)C(C)(C)C,1,GDB ChEMBL
133150,CCC1C2=C(CCC2)c2c(O)ccc(C)c21,0,GDB ChEMBL
132219,CC1=Cc2c(F)cc(O)cc2CC1C#N,0,GDB ChEMBL
861,CC1CC2CCC([NH3+])CC2CC(C)(C)C1C,0,GDB ChEMBL
384230,CCCC1CC(C(C)(C)C)CC2CCC(C)C12,0,GDB ChEMBL
318750,C[NH2+]C1C(CNC(C)=[NH2+])C1(C)CNC(N)=[NH2+],0,GDB ChEMBL
276130,C[NH2+]C(CC1(OC)CC1)C(=O)NC(C)C,1,GDB ChEMBL
186700,CCC(OC)C1CC(C[NH3+])OC(=N)C(C)CO1,0,GDB ChEMBL
174864,CC(CCC#N)CCC(=O)C1CC1,1,GDB ChEMBL
361623,N=C1NC(C(N)=O)C2OC(CO1)C2C(=O)[O-],0,GDB ChEMBL
291936,Cn1ncc2c(C(=O)[O-])ccnc21,0,GDB ChEMBL
11219,CC1OCC2C3CCCCC(C3)C[NH+]2C1(C)C,0,GDB ChEMBL
189845,C#Cc1ccccc1C#CC(F)(F)F,1,GDB ChEMBL
389032,O=C([O-])C(O)C#CC(O)C(=O)[O-],0,GDB ChEMBL
194723,CC([NH3+])CC1C[NH2+]C2CC2C1,0,GDB ChEMBL
113550,N#CC1CCCC(C#N)C(=O)CCN1,1,GDB ChEMBL
379256,C#CC1=CCOCC1CCC,0,GDB ChEMBL
259142,COC1C[NH2+]C2(C(=O)[O-])CC12O,1,GDB ChEMBL
391329,Cc1ccc(F)c(C)c1C1CC1C,1,GDB ChEMBL
126961,COc1cocc1C1OC1C[NH+](C)C,0,GDB ChEMBL
195491,CC12CCOC(C1)C1(C2)C(=O)CCNC1=O,0,GDB ChEMBL
83035,CCC1CCCCC(C)(C)O1,1,GDB ChEMBL
260196,[NH2+]=C1CC(=O)C=C(CC[NH2+]CC(=O)[O-])CN1,0,GDB ChEMBL
93396,CCC(=O)OCC1COCO1,1,GDB ChEMBL
115446,CCCC1OCC=CC1CCN1CC1C=O,0,GDB ChEMBL
355179,C=CC1CCC(CC(C)(C)CO)C1,0,GDB ChEMBL
392534,CC1=CCC2C(C)CCCCC23CC13,1,GDB ChEMBL
148843,CC1CC2CC1OC(C)(C)CCC2CCCO,0,GDB ChEMBL
173925,CC1(C(C=O)C=O)CCOC1,1,GDB ChEMBL
81458,CC[NH2+]C1CCC(C(C)OC)C1C,0,GDB ChEMBL
362624,CC(C)CC(O)C1(C)C=CC(=O)N1,1,GDB ChEMBL
218590,Cc1cc2c(o1)C(C)C(=O)COCCC(=O)N2,0,GDB ChEMBL
71648,CC(O)CS(=O)(=O)NCC(C)C([NH3+])CCO,0,GDB ChEMBL
396727,Cc1nc2c(O)cncccc(O)cc2[nH]1,0,GDB ChEMBL
80282,Cc1coc2c(Br)cccc12,1,GDB ChEMBL
203494,C#CC1(CC(CC)CC(C)C)CCC1,1,GDB ChEMBL
157511,C=CCCCc1c(Cl)cccc1Cl,1,GDB ChEMBL
300198,CC1=NC(C(C)NC(=O)C[NH3+])C(=O)N1,0,GDB ChEMBL
77292,CC#CCC1CC(C)(C)c2ccccc21,1,GDB ChEMBL
195462,CCC1CC(CC)(CC)NC(=[NH2+])N1,0,GDB ChEMBL
308297,CCCCC1([NH3+])C2CCC1C2O,0,GDB ChEMBL
229471,COC1C2CC(C)C1CC2=O,1,GDB ChEMBL
82130,CCC(C)(O)C1(C[NH3+])CC(=O)NC1=NC,0,GDB ChEMBL
215323,CC1=CCCc2cc(C)c(cc2Cl)CCC1,1,GDB ChEMBL
306405,CCC1CC2=CCC(C)(C)C2C1,0,GDB ChEMBL
277124,C#Cc1cc(C)c(OC)c(Br)n1,1,GDB ChEMBL
55556,CC12CCOC(=O)C1N2C(=O)CC#N,0,GDB ChEMBL
203265,C#CC(C)C(CC(C)(C)CCC[NH2+]C)=NO,0,GDB ChEMBL
206852,CCOC(=N)Cc1c(NCC[NH3+])cnn1C,0,GDB ChEMBL
341287,CC1OC(C)(C)CCC(O)C1[NH3+],0,GDB ChEMBL
50931,CCc1ncnc2c1CC=CC2,1,GDB ChEMBL
112349,CN1C=NCC2(Cc3cccn3C2)OC1=O,0,GDB ChEMBL
347004,C[NH2+]C1CC(C([NH3+])C(N)=O)C(O)C1N,0,GDB ChEMBL
374896,CN1CCC(O)C2(CC2)OC1=O,1,GDB ChEMBL
130860,C#Cc1ccc(C)c(I)c1CCCCCCC,1,GDB ChEMBL
156536,O=C1C=CC(=O)C23CCC12C[NH2+]C3,0,GDB ChEMBL
38750,CN1C(=O)CC([NH3+])CC12CC2,1,GDB ChEMBL
99703,COC1CC2CC[NH2+]C3(CC3)CC2C1,0,GDB ChEMBL
123032,Brc1cccc2cc3c(cc12)CC1CC3C1,1,GDB ChEMBL
225011,CCc1cc(C)c(C)c(C2=CCCC2)c1Cl,1,GDB ChEMBL
374388,CC1CCC2C3CC3CCCOCC2[NH+]1C,0,GDB ChEMBL
376041,CC(C)(C(N)=O)C1C(O)C1[NH2+]CCO,0,GDB ChEMBL
277984,CC#CC1=CC[NH+](CCCO)C1,0,GDB ChEMBL
61918,CCC1NC(=[NH2+])C=C1CCC[NH3+],0,GDB ChEMBL
49100,FC(F)(F)c1ncncn1,1,GDB ChEMBL
382603,CCc1c(F)c(C)c(C)c2c1CCCC(C)N2,1,GDB ChEMBL
22842,NS(=O)(=O)OC(C[NH3+])C(=[NH2+])NCCO,0,GDB ChEMBL
277851,COC(=O)CC1CC2COC(=N)C2([NH3+])C1,0,GDB ChEMBL
40350,CCCCOC1C(CCC)COC1(C)C,1,GDB ChEMBL
2097,CC(C)C(C)CC1CC2CCC1C2,1,GDB ChEMBL
210712,CC1=CC(=N)OC1CC1CCC[NH2+]1,0,GDB ChEMBL
280796,CNC(=O)C1C(C)C2OC(=O)[N-]S(=O)(=O)C21,0,GDB ChEMBL
218570,COCC(=O)c1sccc1C[NH+]=C(C)N,0,GDB ChEMBL
155103,C[NH2+]C1CC1C1CCCO1,0,GDB ChEMBL
87675,CNC(=[NH2+])CCC(C#N)NC(=O)CO,0,GDB ChEMBL
247201,CS(=O)(=O)[N-]C(=O)NCCC[NH3+],0,GDB ChEMBL
64105,CC(O)C1CC2CCC1C(C[NH3+])C2,0,GDB ChEMBL
361836,COC(=O)CCS(=O)(=O)NCC(N)=[NH2+],1,GDB ChEMBL
26038,Cc1cc(OC(C)C(N)=O)c(C)nc1OC=O,1,GDB ChEMBL
112364,CC[NH2+]C1CC=CC1C(C)CC,0,GDB ChEMBL
44115,COc1nsc(NC2CC2)c1CC(=O)[O-],0,GDB ChEMBL
54815,CC(O)CCCOC(=O)CO,1,GDB ChEMBL
22858,CCCCC[NH2+]CCOCC1CN1C,0,GDB ChEMBL
280469,CCCOC1CCCCCC(=O)C(=O)CCC1,1,GDB ChEMBL
61900,CC1CCC2CC=CCC1[NH+]2C,0,GDB ChEMBL
126826,N=C1NC(=O)C2(N)C(O1)C2(O)CC(=O)[O-],0,GDB ChEMBL
25994,CCCC(CC)C1CCC(C[NH2+]C)C1C(C)C,0,GDB ChEMBL
161931,O=C1NCC2C3CC(O)CC1N23,0,GDB ChEMBL
286144,C[NH2+]C1CCOCC2C([NH3+])CC1(C)C2CO,0,GDB ChEMBL
317598,CN(CC[NH+]1CCCC1)C1CC=C2C[NH2+]C21,0,GDB ChEMBL
304282,CN(C)C(C[NH3+])(CO)C[NH+](C)C1CC1,0,GDB ChEMBL
3835,CN1C(=O)C2[NH2+]CC3(CC23)C1C=O,0,GDB ChEMBL
337168,COC(=O)CC1(C([NH3+])CC([NH3+])CO)CO1,0,GDB ChEMBL
241093,C#Cc1ccc(C)c2c1CC(C)(CCC)C2C,0,GDB ChEMBL
235921,CCC(O)CC1CC(C(N)=O)O1,1,GDB ChEMBL
141999,COC1CCC2C(O)C(C[NH3+])OCC12,0,GDB ChEMBL
394301,CC1CC(C(F)(F)F)c2c(I)cccc21,1,GDB ChEMBL
362206,CCC(=O)C1=CC(C(C)C(C)O)C(C)C1,0,GDB ChEMBL
111873,CCC1=CC2C=CCCCCCC2C1,0,GDB ChEMBL
228413,N#CC1COC(=O)NCC1=NO,1,GDB ChEMBL
338341,[NH3+]C1CC(O)C2OC1C2(CO)C(=O)[O-],0,GDB ChEMBL
202056,Cc1[nH]ccc(=[NH2+])c1CNCCC#N,0,GDB ChEMBL
141798,CCC[NH2+]C(C(C)C)C(CC)C(F)(F)F,0,GDB ChEMBL
204429,CC1CCC(=O)NCCCC(C)C(=O)C(=O)N1,1,GDB ChEMBL
273821,Cc1ccc(C)c(CC2COC2C)c1F,1,GDB ChEMBL
289297,CCC[NH2+]C(CCC)C(C)[NH2+]C,0,GDB ChEMBL
115050,C[NH+]1CC=CC(CC[NH3+])C1(C)C,0,GDB ChEMBL
122819,OC1CC=CC12CCCC2,1,GDB ChEMBL
181007,COC1COC(=O)C(CO)C(N)C([NH3+])C1O,0,GDB ChEMBL
302474,CC#Cc1c(Cl)ccc2[nH]cc(N)c12,1,GDB ChEMBL
109775,CCCC1(C(N)=[NH2+])CC1(C)OC(=O)NC,0,GDB ChEMBL
119640,CC[NH+](C)C1CC2C3C=C(C)C1C32,0,GDB ChEMBL
251010,C=CC(CCC)[NH2+]C(C)C(C)(C)C,0,GDB ChEMBL
315170,CCC1=CCCCC2(C)CCC(C1)C2,0,GDB ChEMBL
153752,CCC(C)CCCC1CC2C[NH2+]C2C1,0,GDB ChEMBL
296621,CCN1C(=O)CCC1c1cc(Cl)c(C)cc1Cl,1,GDB ChEMBL
227770,CCC(C)(C)Cc1cncc(C=O)c1Br,1,GDB ChEMBL
13165,CC(O)C1OC(CCO)C=CC1C(N)=[NH2+],0,GDB ChEMBL
239996,CC1CC2C(C)[NH2+]CC1CC1C3CCC(O3)C21,0,GDB ChEMBL
367622,CCCC(=O)C=CC1(C)CC(O)C1,1,GDB ChEMBL
174183,NC(=O)Cn1nnc2cc(=O)[n-]nc21,0,GDB ChEMBL
283956,CC(=O)c1cc(=O)n(CC=O)c(=O)n1C,1,GDB ChEMBL
84992,C#CC(C#C)C(C)c1cc(C)cc(C)c1,0,GDB ChEMBL
262528,Cc1cc(Cl)ccc1C#CC(C)C1CC1,1,GDB ChEMBL
234210,O=C(CO)Nc1c(F)cc(O)c2sc(=O)oc12,0,GDB ChEMBL
398853,CCN=C1C=CC2C(O1)C(=O)N(CC)C2C,0,GDB ChEMBL
393973,CCCCC1CC2CC1C(CC)CC21CC1,0,GDB ChEMBL
92898,CC1C[NH+]2CC(CCC#CCO)(CO1)C2,0,GDB ChEMBL
190464,C[NH+](C)CCC1CCC=C2CCC(C)(C2)C1,0,GDB ChEMBL
73837,CC(C)C1CN2CC[NH+](CC2)C1,0,GDB ChEMBL
267383,CC[NH2+]C(CC(C)O)CC1COC(N)=N1,0,GDB ChEMBL
76740,CC([NH3+])C(=O)NC(C(O)C#N)C1[NH2+]CCC1O,0,GDB ChEMBL
274626,CNc1snc(OC)c1N1CCCC1,1,GDB ChEMBL
87027,CCC1CC[NH2+]CC2CC(C)[NH+]=CN12,0,GDB ChEMBL
151719,NC1C(=O)OCC1C(=[NH2+])N1CC(O)C1,0,GDB ChEMBL
389357,CC[NH+](C)CCCC(C)(CC(C)OC)NC=O,0,GDB ChEMBL
284725,CCc1ccc(F)c(C(O)C2CCC2)c1F,1,GDB ChEMBL
334642,COC1C2C1C1(C#N)CC[NH+]2C(C(=O)[O-])C1,0,GDB ChEMBL
23649,CCC1C[NH+](C(C)C)C1,0,GDB ChEMBL
335507,CC1(C#N)CC12NCC([NH3+])CCCC2O,0,GDB ChEMBL
29796,CCC(OC)C1C(C)[NH2+]C1C,0,GDB ChEMBL
332681,CCCC(C)C(C)C1(C(CC)CO)CC1,0,GDB ChEMBL
308673,CCNS(=O)(=O)CCC(=[NH2+])NC(C=O)CO,0,GDB ChEMBL
306274,CC(=O)CCC(=O)C(C)O,1,GDB ChEMBL
280753,CC#Cc1sc(C(C)COC)nc1CC,1,GDB ChEMBL
7407,CNC(=O)c1c(C(C)C(=O)[O-])c(OC)nn1C,0,GDB ChEMBL
168435,CC(NC(N)=O)c1ncc[nH]c1=[NH2+],0,GDB ChEMBL
355834,CCC(C)(C[NH2+]C(CC[NH3+])COC)OC=[NH2+],0,GDB ChEMBL
124305,CCC[NH+]1CC(N)C2C(O)C1C1CN12,0,GDB ChEMBL
379711,CCOC1(C#N)CNC1,1,GDB ChEMBL
389423,COC12CC(C)C(C1)C(C(C)O)C2C[NH3+],0,GDB ChEMBL
223505,CC1C2CNC(N)=[NH+]CC1(O)CO2,0,GDB ChEMBL
59661,C#CC(C#N)CCCC(C)(C)C1CCCCC1,1,GDB ChEMBL
333853,CC1=CCCCCC2CC1(C)CC2C,0,GDB ChEMBL
208272,CCOCC(C)(C)n1c(C)nc(Cl)c(C)c1=O,0,GDB ChEMBL
350285,CCCCC1C2CCC3CCC(C3)C12CO,0,GDB ChEMBL
311684,NC(C[NH3+])(COCCCO)C(=O)[O-],0,GDB ChEMBL
291494,CNC(=O)Cn1cc(N)nn1,1,GDB ChEMBL
265278,COC1C(O)CC(O)C1(O)C[NH3+],0,GDB ChEMBL
152049,CC[NH2+]CCN(C)c1csnc1N,0,GDB ChEMBL
288963,CC(C(N)=O)C1[NH+]=C(N)N(C)C1=N,0,GDB ChEMBL
76433,CC1CCC2(C)CC(O)C(CN)[NH2+]C1CC2C,0,GDB ChEMBL
99555,CCC1C(NC=O)CC(=O)N1CC#N,1,GDB ChEMBL
28283,N#CC1C(O)C2CN1C2(C[NH3+])CC(=O)[O-],0,GDB ChEMBL
147444,C(=CCCC1CC1)C=C1CC[NH2+]C1,0,GDB ChEMBL
58478,Cc1cn(C)c2c1C(CC(=O)[O-])=CC2=O,1,GDB ChEMBL
204696,CC12CC3[NH2+]CC1OCC3C2O,0,GDB ChEMBL
254248,CC(C)c1coc2ccc(C(=O)C=O)cc12,1,GDB ChEMBL
77238,CCc1c2c(c(O)ccc1=[NH2+])CCC2,0,GDB ChEMBL
17544,C=C(C)C(C)CCC(=O)C1CCC1,1,GDB ChEMBL
204652,CC1CC23CCC1(OC2)C3C(N)=O,0,GDB ChEMBL
208595,CC[NH+]1CCC(C)C1(C)C(=O)C(C)C,0,GDB ChEMBL
654,CS(=O)(=O)NC1C2OC(=O)C12,0,GDB ChEMBL
396772,CC(C)OC1CC(O)C=CCCC1C=O,0,GDB ChEMBL
26574,Nc1nccnc1C(O)CN1CC1,1,GDB ChEMBL
190446,CNC1(C#N)CC1C(C)(C)C,1,GDB ChEMBL
334640,N=C1OC(C(O)CC([NH3+])CO)C1C(N)=O,0,GDB ChEMBL
21494,C#Cc1cc(C)cc(OCC=O)c1Cl,1,GDB ChEMBL
85691,N#C[C-](C#N)c1cn[nH]c1COCC(N)=O,0,GDB ChEMBL
252753,CCC(C)CCCC1OC(=N)C1N,0,GDB ChEMBL
130495,C[NH2+]CC(C)C(C)C(C)=O,0,GDB ChEMBL
222554,N#CC1NC(C([NH3+])C(=O)[O-])C(N)C1O,0,GDB ChEMBL
107056,C#CC(=O)N(C(C)(C)C)C(C)(C)CC(C)CC,0,GDB ChEMBL
259481,C[NH2+]C12CC1OC(=O)C(N)C2CO,0,GDB ChEMBL
13814,C#CCC1(CC(C)C(C)C)CCCCC1CC,0,GDB ChEMBL
56189,C[NH+]1CC2(CC2NCC#N)C1,0,GDB ChEMBL
387224,CC1(C[NH3+])OC(=O)C(O)C2(C)CC12,0,GDB ChEMBL
235561,CC1C(CC(=O)[O-])C(=O)NC1(CO)C(N)=[NH2+],0,GDB ChEMBL
314162,C#CC1COC1CC([NH3+])CC(C)C,0,GDB ChEMBL
341325,CC1[NH2+]CC(C2CCCC2)C1[NH3+],0,GDB ChEMBL
126989,C#CC([NH+](C)CC)C1(C)CC=CCC1=O,0,GDB ChEMBL
50353,CC[NH+](C)C1CCCC1C,1,GDB ChEMBL
382592,COCCCC1CCNC(=[NH2+])OC1C,0,GDB ChEMBL
252556,C[NH+]1CCC=CC2=CC(C)(C)CCC1C2,0,GDB ChEMBL
81515,COCC(OCCC#N)C(=O)[O-],1,GDB ChEMBL
317705,O=C([O-])c1nn(CCO)cc1O,0,GDB ChEMBL
217043,CCNC(=N)N1C(=N)NC(=O)NC(=N)CC1=O,1,GDB ChEMBL
25125,COCC12C(O)CC3CC3C1C2C[NH3+],0,GDB ChEMBL
202010,CN1CCC2C3CC(=O)C(C#N)C1C23,0,GDB ChEMBL
362956,C#Cc1c[nH]c2c([O-])c(F)c(F)c(COC)c12,0,GDB ChEMBL
296364,CC(C)(CO)CC=CCCCCO,1,GDB ChEMBL
387330,CCC1C(C)CC[NH+](C)C2C(=O)CC12,0,GDB ChEMBL
208275,C#CCN1CC([NH3+])CCC1C1(O)COC1,0,GDB ChEMBL
236667,CC(C)CCC1CC2CCCC(O)C(C[NH2+]1)C2,0,GDB ChEMBL
190340,O=C1NCC2(C=CCOC2=O)O1,1,GDB ChEMBL
288424,C[NH2+]CC1(C#N)CC(OC)C1,0,GDB ChEMBL
334603,CC([NH3+])CC([NH3+])(CC[NH3+])C(C)C(O)C(O)CO,0,GDB ChEMBL
121974,CCNC(=O)N1CC1(C[NH3+])CC1CC1,0,GDB ChEMBL
263827,CC#CC(OCC)(C(C)CC)C1CC1,1,GDB ChEMBL
381470,CCC(C1c2ccccc2CC1C)C(F)(F)F,0,GDB ChEMBL
62558,CCC(C)(C)C1CCC=CC1OC1(C)CC1,0,GDB ChEMBL
26433,C#CC1CCC([NH+](C)CC)C1=O,0,GDB ChEMBL
235213,CC(O)C(CC[NH3+])(CC(N)=O)CC1CC[NH2+]1,0,GDB ChEMBL
209875,CC(C)(CNC(N)=[NH2+])C1CC(C[NH3+])=CC[NH2+]1,0,GDB ChEMBL
348605,C#CC1CC2(CC(=O)CNC2=O)C(=O)N1CC,0,GDB ChEMBL
112069,CC([NH3+])(CO)CC(N)CS(N)(=O)=O,0,GDB ChEMBL
236603,CCCOC1=NCCC(=[NH2+])N1,0,GDB ChEMBL
156044,CCC#CC1(C2([NH3+])CC(=O)N(C)C2)CC1,0,GDB ChEMBL
116084,N=C1NC(=O)C(N)(C(O)CO)C(=O)N1,1,GDB ChEMBL
104964,C#CC1(C#C)OCCC1CCC,1,GDB ChEMBL
274862,CNC1CC(C)CC(O)CC1(C#N)C(N)=[NH2+],0,GDB ChEMBL
116077,CCC1CCC(C)C(C(C)O)C1CC,1,GDB ChEMBL
15517,CCOCC1(N)C(=[NH2+])NC1C[NH+](C)CC,0,GDB ChEMBL
136168,[NH3+]C1C2C(O)C3CCC12C(=O)N3,0,GDB ChEMBL
26878,CCC12CCc3cc(Br)ccc3C(CC1C)C2,0,GDB ChEMBL
282210,CCC1(C)CC(O)C2(C)C=C(C)C(=O)CC12,0,GDB ChEMBL
147416,CCC1CCCC2CC1C(C)C(C)(C)C2,0,GDB ChEMBL
358860,CCC12C[NH2+]C(C)C1C=C(C)C2,0,GDB ChEMBL
280593,CCC12CC(C)C(C(O)C1)C1CCCC12,0,GDB ChEMBL
45950,COC(=O)C12CC1(O)C(C(N)=O)NC2=O,0,GDB ChEMBL
227554,C#CC[NH+](C)C1(C2=CCCC2)CCCCC1,0,GDB ChEMBL
16059,CCOCC12OC3CC1CCC2C3,0,GDB ChEMBL
382994,Cc1cc(I)ccc1C(=O)C1[NH2+]CC2CC21,1,GDB ChEMBL
47197,Cc1cc(C(=O)OCCO)[nH]c(=N)n1,1,GDB ChEMBL
355151,C#CCCCCc1c[nH]c(CC(N)=O)c1C=O,1,GDB ChEMBL
88182,CC1=CN(C)C(CC(C)(C)O)CCC1=O,0,GDB ChEMBL
203177,C#CCC1C(O)C(C#C)C(C[NH3+])N1C,0,GDB ChEMBL
328947,CC1CC([NH3+])(C[NH3+])CCC2OC(=O)NC12,0,GDB ChEMBL
194743,CCC([NH3+])C1CC1C(C)(C)C,0,GDB ChEMBL
104741,COC1C(C[NH3+])C2(C)CCC1(O)C(C)C2,0,GDB ChEMBL
26408,N=C1OCC(=O)C(NC(N)=[NH2+])C1O,0,GDB ChEMBL
102346,CN(C)S(=O)(=O)CC1CNC(N)=[NH+]1,0,GDB ChEMBL
190283,Cc1oncc1CCC(C)[NH3+],0,GDB ChEMBL
370239,C[NH2+]CC1CNCCC1=O,0,GDB ChEMBL
228852,CN(C)C1CC2(C)OC2C1C#N,1,GDB ChEMBL
180044,CCC(CC1CC1)C1=CC=CC=CCCC1,0,GDB ChEMBL
195354,CCC1OCC2CCC(C)C21,0,GDB ChEMBL
174686,C#CC1CCCCCCC(C)CC1(C)CCC,0,GDB ChEMBL
303359,CC(O)C[NH+]1CC(C(C[NH3+])CCO)OCC1C,0,GDB ChEMBL
131924,CC(C[NH3+])CC(=O)NC1CCC2CC(N)C1[NH2+]2,0,GDB ChEMBL
299617,C[NH+]=C(N)OCC([NH3+])CC(=O)OCC(N)=[NH2+],0,GDB ChEMBL
272538,N#CCNC(CC1C[NH2+]CC1NC=O)C(=O)[O-],0,GDB ChEMBL
90327,CC(O)CC1=CCC(=O)C(C#N)C1,0,GDB ChEMBL
201987,COC1(CC(C#N)CC(O)C(C)[NH3+])CC1,0,GDB ChEMBL
120015,CNC1=[NH+]C(C2CC2)CO1,0,GDB ChEMBL
80477,CCC1OC2(CC1OC)C1CNC2C(=O)OC1,0,GDB ChEMBL
371738,CCn1nccc1C(C(C)C)C(C)(C)C(C)C,0,GDB ChEMBL
308145,C[NH2+]C(C)C(=O)C(C)C(CCC(C)C)NC=O,0,GDB ChEMBL
189792,CCC12CCCCC(C[NH2+]C1)O2,0,GDB ChEMBL
83534,Cc1nccscc([N+](=O)[O-])c(CO)n1,0,GDB ChEMBL
222195,CC1CC([NH3+])C2CCC1C2CCC(F)(F)F,0,GDB ChEMBL
333862,CCCC1(C)CC2CC1C1C[NH2+]CCC21CC,0,GDB ChEMBL
233426,C#Cc1cc(NCC)cc(C(C)N=COC)c1,1,GDB ChEMBL
210699,CC(C)OCC1(C)CCC2CCC1CC(O)C2,0,GDB ChEMBL
362797,CN=C(CC#N)NS(=O)(=O)CCNC(C)=O,1,GDB ChEMBL
62834,C=CC1(C[NH3+])CC1C(O)C([NH3+])CC,0,GDB ChEMBL
134771,CC([NH3+])CC(C(C)C)[NH+](C)C,0,GDB ChEMBL
325693,CC(C)N=CNC(=O)CC1CCC(=O)C1,0,GDB ChEMBL
338523,NS(=O)(=O)C1CCOC(=O)CC1[NH3+],1,GDB ChEMBL
125654,CC(C)C1C(C)C=CC[NH+]1C,0,GDB ChEMBL
68665,NC1C(=O)NC2CC(CO)[NH2+]C21,0,GDB ChEMBL
263802,C[NH2+]CC1CCCC([NH3+])C(C)C1C[NH3+],0,GDB ChEMBL
670,CC(O)C1OC(=[NH2+])NCC(CC[NH3+])NCC1[NH3+],0,GDB ChEMBL
352679,C#CC1CCC2C(C)C(C)C(CC(C)CC)[NH+]12,0,GDB ChEMBL
134414,NC(=O)N1CC1(Cc1cc[nH]n1)C(=O)[O-],0,GDB ChEMBL
193295,N=C1OC(=O)OCCC1[NH2+]CC(=O)[O-],0,GDB ChEMBL
389662,CCC1OCC2C1[NH+]=CNC1CNC(=O)C12,0,GDB ChEMBL
39756,CC[NH+](C)C1C(C#N)CC2CC3CC(C3)C21,0,GDB ChEMBL
95223,[NH3+]CCC[NH2+]CCC(CO)S(=O)(=O)[O-],0,GDB ChEMBL
278117,CCCCC1CC=CC(C)(C)OC(C)C1=O,0,GDB ChEMBL
234858,CC(O)C(C)C(O)CCC1=CCCC1,1,GDB ChEMBL
105128,CC1(O)CC(O)C(=O)C2C1N2C(=O)CC#N,0,GDB ChEMBL
333088,CNC(=N)NS(=O)(=O)CCC(O)C(C)[NH2+]C,0,GDB ChEMBL
243787,CC1CC2OC2C1[NH2+]CC1CC1,0,GDB ChEMBL
193744,[NH3+]CC1CCN(C=O)C(=O)[CH-]C(=O)O1,0,GDB ChEMBL
31050,CC(C1OC(=O)CC1C=NO)N(C)CC=O,0,GDB ChEMBL
336071,CN1CC2C1C1OC(=O)C2(C#N)C1O,0,GDB ChEMBL
181384,C[NH2+]CCCC#CC(=O)CC1CCC1,0,GDB ChEMBL
203812,C#CCCC1C(C)(C)CCCC([NH3+])C1(C)CC,0,GDB ChEMBL
181016,CC1NC(=[NH2+])CCCC2(C)OCC1C2O,0,GDB ChEMBL
375682,CNC1=[NH+]C(CC[NH2+]C)C(CC#N)C1,0,GDB ChEMBL
239152,CC1CC(O)CC1(C)C1CC1,1,GDB ChEMBL
219493,CCC1C=C(C(=O)CO)C(=O)OC1,1,GDB ChEMBL
115416,C[NH2+]Cc1n[nH]c(C)c1CS(N)(=O)=O,0,GDB ChEMBL
308677,C[NH2+]C1CC(O)CN2C(CO)C12,0,GDB ChEMBL
319836,NS(=O)(=O)C1OC2C=CC1NC2CC(=O)[O-],0,GDB ChEMBL
343945,NC(N)=[NH+]C1CC(=O)NC2CC1CN1CC21,0,GDB ChEMBL
225369,CC(CO)C(OC(N)=O)C1CC1,1,GDB ChEMBL
284260,CC12CCCC1CCC(c1cc(Cl)ccn1)C2,1,GDB ChEMBL
185946,CC1=CC(=O)C(C=O)C12CC[NH2+]CC2,0,GDB ChEMBL
236687,CCC1[NH2+]C(C)(C)CNC1=O,0,GDB ChEMBL
165947,C#CCC1(C[NH2+]CC)C(C)CC(C)[NH+]1C(C)C,0,GDB ChEMBL
367799,CCc1c(Cl)nc(C(C)(C)C)c([O-])c1[N+](=O)[O-],0,GDB ChEMBL
386218,NC(=O)C(O)CCc1nc(N)c[nH]1,1,GDB ChEMBL
286993,C[NH+]1CC(O)C(C(N)C[NH3+])C1CC[NH2+]CCO,0,GDB ChEMBL
233950,CCCC1CC(C)C(C)(C2(O)CCC2)C1,0,GDB ChEMBL
395126,CC1(C)COC(=[NH2+])NCC2C[NH+](CCN2)C1,0,GDB ChEMBL
343244,CC(=O)c1cc(C)c(CC2CCC2)c(F)c1,1,GDB ChEMBL
230471,[NH3+]CCN(CCO)C(=O)C1CCC([NH3+])CO1,0,GDB ChEMBL
97215,C#CC[NH+]1CCC2(CC1)C(C)C21CCCC1,0,GDB ChEMBL
307461,[NH3+]C1CC2C[NH+](CC3CC3)C1C(C(=O)[O-])N2,0,GDB ChEMBL
64613,N#CCNCC1CC(O)C2C(=O)C1(O)CC2O,0,GDB ChEMBL
289953,CCCC12[NH2+]CC3OC(=O)NC1C32,0,GDB ChEMBL
182111,CC(C)(O)C1C2OCC1(CC[NH3+])CC2[NH3+],0,GDB ChEMBL
201362,COC1C(C)C2CC3NC(=O)NCC32C1O,0,GDB ChEMBL
150096,C[NH+]=C(N)OCC1OC(=O)C(C)(O)C1CC[NH3+],0,GDB ChEMBL
110248,CC#CCC(CC=O)CCCNC=O,1,GDB ChEMBL
209701,N#CC(N)C(O)CC(=O)OCC(N)=O,1,GDB ChEMBL
53862,OCCC12C[NH2+]C(CO1)C2O,0,GDB ChEMBL
31424,CC(C)C(C)(C)C1C(=O)CC(CO)(CO)N1C,0,GDB ChEMBL
53861,C[NH2+]CC1=CC(=O)CC=CC(C)(C)OC1,0,GDB ChEMBL
277399,CCCCCC1C(C)CC2C3CCC([NH2+]3)C12,0,GDB ChEMBL
76506,CCC1C(=O)OCC(O)C1(CC)CC,0,GDB ChEMBL
286129,O=CC(O)CN1C(=O)C[NH2+]CC2CC21,0,GDB ChEMBL
190252,N=C1OCCNC(=O)CC2=NCCN12,1,GDB ChEMBL
84941,N#CCNC(=O)OCC(=O)NCCC(=O)[O-],1,GDB ChEMBL
292698,Cc1noc(NC=O)c1C[NH+]=C(N)CC(=O)[O-],0,GDB ChEMBL
170288,Cc1ccc(O)c2c1C=CC=C(C1CN1)C2,0,GDB ChEMBL
208553,CC(=O)N(CC(=O)[O-])c1ncc([O-])nn1,0,GDB ChEMBL
311367,NC(=[NH2+])c1ncc(O)cccsc1N,0,GDB ChEMBL
308000,CCC1C2C[NH2+]C(C)C1(C)OC2,0,GDB ChEMBL
389470,C=CCCOC(=O)C1CC1C1CN1,1,GDB ChEMBL
305161,[NH3+]C1C2CC3(O)COC(=O)NC(C3)C12,0,GDB ChEMBL
171313,[NH3+]C1CC2(CO)CC([NH3+])C(O2)C1O,0,GDB ChEMBL
193765,[NH3+]C1CCOC2C3CC(NC3=O)C2C1,0,GDB ChEMBL
307992,COC(=O)C1(O)CC1(C)CS(=O)(=O)[O-],0,GDB ChEMBL
264990,COC1Cn2nccc2NCC2(OC)CC12,0,GDB ChEMBL
148782,C[NH2+]C1C(C)NC(=O)C2(OC)COC1C2OC,0,GDB ChEMBL
262569,C#CC1CC(O)CC1NC(=O)CC,0,GDB ChEMBL
269196,C#CC1OCCC(C)(C(C)[NH+](C)C)C1O,0,GDB ChEMBL
325869,CCCC12COC(CC1C1CCCC1)OC2,0,GDB ChEMBL
199034,CC1CCOC(=O)C1(C)C,1,GDB ChEMBL
266492,CCC(C)C1CC2CC(CO2)C1C,0,GDB ChEMBL
34207,C[NH+]1CCC2CC=CC3(C)CC3C21,0,GDB ChEMBL
176398,CC1COC23CC[NH2+]CC12C(O)C=CC3=O,0,GDB ChEMBL
288100,CC1=CCC(O)(C2CCCC2)C1,1,GDB ChEMBL
143786,CC1=CC2C(C)C(O)C([NH3+])C2CC1,0,GDB ChEMBL
300915,NC(=[NH2+])C1(C2C(=O)CCC2C(=O)[O-])CO1,0,GDB ChEMBL
92310,CCC1N2c3ccc(Cl)c4c3C(CC4)C12C,0,GDB ChEMBL
295901,COC(C)C(C(C)C)C1CCC(C)C1,1,GDB ChEMBL
392284,C#CCC(C)Oc1cc(F)c(C)c2[nH]cnc12,1,GDB ChEMBL
160956,CCC(Nc1[nH]c(C)c[nH+]1)C(N)=O,0,GDB ChEMBL
350293,C#Cc1cccc(CCC(C)=O)c1NC,1,GDB ChEMBL
385436,C[NH2+]CC(=O)C(C)NS(C)(=O)=O,0,GDB ChEMBL
120713,N=C1CCC(CC[NH3+])CCO1,0,GDB ChEMBL
134777,CC(CC[NH3+])CC1[NH2+]C(C)CN2CC1C2,0,GDB ChEMBL
325898,CC1([NH3+])CNS(=O)(=O)CCN(CC(=O)[O-])C1=[NH2+],0,GDB ChEMBL
355336,CCN(C)c1cn[nH]c(=O)c1C=O,1,GDB ChEMBL
358432,CC(=O)N1CC2(C)CC(CC[NH3+])C1C2C,0,GDB ChEMBL
112569,CC1=CCN(C)[C-](C=O)C1=O,0,GDB ChEMBL
86719,C[NH+]=C1CC2(C(=O)[O-])C[NH2+]CCC2N1,0,GDB ChEMBL
184692,N#CC1C(=O)[N-]C(=O)C1(O)C(=O)[O-],0,GDB ChEMBL
76992,CCC1NC(CCO)CNC1=O,1,GDB ChEMBL
121964,Cc1cc(Cl)c(C2CCC3CN32)cc1Cl,0,GDB ChEMBL
272530,N#CC1OCCN2C(CCS2(=O)=O)C(O)C1=O,0,GDB ChEMBL
77722,C#CC1c2cc(C)cnc2C2CCC(C)C12C,0,GDB ChEMBL
383284,CCCCc1cccnc2c1oc1cncc12,0,GDB ChEMBL
62065,CC(=O)NC12C3CC[NH2+]C1C2(N)CC3,0,GDB ChEMBL
235550,Nc1ncnc2c1C(O)CNS2(=O)=O,0,GDB ChEMBL
201003,CC1([NH3+])C2Cc3cc(F)cc4c3C2C1C4,0,GDB ChEMBL
122923,CCC1CCC(C)=CCC1CCC(F)(F)F,0,GDB ChEMBL
61853,CC1=CCCC(c2cccc(C)c2)=CC=C1,1,GDB ChEMBL
363827,Cc1cc(C#CCC2CC2)cc(C)c1I,1,GDB ChEMBL
156488,CCCC1C(=O)C2OCC1C2C,0,GDB ChEMBL
4972,CCC(CO)C1(O)CN(C)C1CO,0,GDB ChEMBL
136521,CCC[NH+](C)CC1CC(CC)C(C)C(OC)C1,0,GDB ChEMBL
275535,C=CCC(N)C(C#N)NC(C)CO,1,GDB ChEMBL
38725,CCC1OC1C(O)CNS(C)(=O)=O,1,GDB ChEMBL
195393,CCCCC[NH2+]CCCC(=O)C1CCOCC1,0,GDB ChEMBL
150523,CC1C(=O)NC(=O)CC12CS(=O)(=O)NC2C=O,0,GDB ChEMBL
358799,CCC1C([NH3+])C(O)C2CC(C1O)[NH+](C)C2C,0,GDB ChEMBL
213994,CCC1CC2(C)CCC([NH3+])C1O2,0,GDB ChEMBL
33513,N#CCNC1CC(O)C([NH3+])C1N,0,GDB ChEMBL
83520,C[NH2+]CC([NH3+])CCC#CC1(C)C(C)C1O,0,GDB ChEMBL
321979,CCC(C)(CC)CCCc1coc(COC)c1,1,GDB ChEMBL
318130,CNC(=O)C([NH3+])C1C(O)C1CS(N)(=O)=O,0,GDB ChEMBL
84937,C#Cc1scc(CO)c1NCCC,1,GDB ChEMBL
182923,COC1CC2C[NH2+]C3COC1C23,0,GDB ChEMBL
152604,CNc1cc(N)c2ccoc2n1,1,GDB ChEMBL
156722,NC1C2NC(=O)C(CCS(N)(=O)=O)CC12[NH3+],0,GDB ChEMBL
331696,CC12CC3CC1C(=O)NC2(C)C3O,0,GDB ChEMBL
249561,CC1CC(C)C2CCCC(C1)C2(C)C,0,GDB ChEMBL
143164,CCOC12C(=N)N(CC)C1CNC2=O,0,GDB ChEMBL
222606,CCC1CC[NH2+]C1C(C)C,0,GDB ChEMBL
269155,CCCCC12CCC(C)(CC1C)C(C)C2,1,GDB ChEMBL
385959,NC(=O)C1NC2CC(C(=O)[O-])C2([NH3+])C1O,0,GDB ChEMBL
221118,CC1CCC2(C)COC(C)C1(C)C(C(=O)[O-])[NH2+]2,0,GDB ChEMBL
317161,CCC1CCC(C)C2(C)CC([NH3+])CC=C12,0,GDB ChEMBL
84589,COC(=O)N1C2CNS(=O)(=O)CC21,0,GDB ChEMBL
388461,O=CC1CC(O)(C(=O)[O-])CS(=O)(=O)N1,0,GDB ChEMBL
140141,CC1NC(C(N)(C#N)C(=O)[O-])C(C)OC1=N,0,GDB ChEMBL
99085,COCC1(N)C(=N)N(C)C(=O)C1(O)CC(=O)[O-],0,GDB ChEMBL
216201,CC1CC(O)C2(C(N)=O)C(O)C2C1,0,GDB ChEMBL
283242,C[NH2+]CC1CCC(OC)C2C([NH3+])C12C,0,GDB ChEMBL
51374,C#Cc1nc(Cl)cc(C[NH2+]C)n1,0,GDB ChEMBL
372142,CNC1C[NH2+]CCCOC1C(C)C#N,0,GDB ChEMBL
269335,CC1CC2(O)C(=O)NC3C(C(=O)[O-])C32O1,0,GDB ChEMBL
299764,CC1=CCC=CC=CCCCC(C)C(C)=C1,0,GDB ChEMBL
142949,CC1OC(CCC(=O)[O-])CNCCS1(=O)=O,0,GDB ChEMBL
141868,CCN1CC(C(C)O)C(C)[NH+]=C1C,0,GDB ChEMBL
290573,CC1CC2C[NH2+]CCCCC1CC[NH2+]2,0,GDB ChEMBL
204692,CCCOC(CO)CNc1nc(N)no1,1,GDB ChEMBL
132498,CC1COC(C(=O)[O-])C1(C)[NH3+],0,GDB ChEMBL
263459,COC1(C(N)=O)CN(C=O)C(C(N)C#N)C1O,0,GDB ChEMBL
219557,CC12CCCCC[NH2+]C(CO)C1CC(CO)O2,0,GDB ChEMBL
322821,COC1C(C([NH3+])C(C)O)C(=O)[N-]S1(=O)=O,0,GDB ChEMBL
374906,C[NH+](C)C1CC(O)(C[NH3+])C2(C)CC2C1O,0,GDB ChEMBL
132880,COC1=NCC(C)C(CCO)CC1C,0,GDB ChEMBL
372628,C1CC2C[NH+]3CC(N2)C(C3)O1,0,GDB ChEMBL
115435,CCOc1cnc2cnc(O)n2c1,1,GDB ChEMBL
126982,CCC#CCCCOCC#CC1CC1,1,GDB ChEMBL
4802,CCC1C(OC)C12CCC2,1,GDB ChEMBL
299207,C[NH2+]CC1(C)CC=C(C)C(C(C)C)CO1,0,GDB ChEMBL
185987,CC1(C)C=CCCc2cncc(c2)CC1,1,GDB ChEMBL
80496,CCCCCC1(C)CC2CC1(C)CC2C(C)C,0,GDB ChEMBL
159883,CC(=O)OCC1NC1C(C)C(C)CO,0,GDB ChEMBL
244474,COC1C(=O)NCCCC=C1c1nccs1,0,GDB ChEMBL
302276,C[NH2+]CC(O)C(CO)OC1C=CNS1(=O)=O,0,GDB ChEMBL
63114,CCc1cc(C(F)(F)F)cc(C)c1C1CC1,1,GDB ChEMBL
293797,CNC(C(=O)OC)C1(C)C([NH3+])C(O)C1(C)[NH3+],0,GDB ChEMBL
152546,CCNC(=O)COC(CO)(CO)C(C)[NH3+],0,GDB ChEMBL
379733,CCC([NH3+])C(C#N)C(C)O,0,GDB ChEMBL
180971,N#CC1C([NH3+])CC2OC(=O)NC21,0,GDB ChEMBL
396093,C[NH2+]C1CCC(C(C)=O)C1(C)C,0,GDB ChEMBL
48196,CCN(C=N)C(=O)COS(N)(=O)=O,1,GDB ChEMBL
102330,CCC1CCC(C)C[NH+]2C(C1)C2C(C)(C)C,0,GDB ChEMBL
17066,C[NH+]1CCCC1C1CCC(C#N)(CC[NH3+])CC1,0,GDB ChEMBL
39947,CCCCC(=O)C1(OC)CCC2C(CC)C21,1,GDB ChEMBL
389644,CNC(=O)Cn1c(=N)nnn(C)c1=O,0,GDB ChEMBL
358136,C[NH+]1CC2CCC(C(F)(F)F)CC2C1,0,GDB ChEMBL
61861,COCC1CC2C(C)C2[NH2+]CC[NH2+]1,0,GDB ChEMBL
208427,[NH3+]CC(=O)NCCCn1nc(O)nc1O,1,GDB ChEMBL
236532,[NH3+]CC12OCC1C1CC2C(C(=O)[O-])[NH2+]1,0,GDB ChEMBL
362019,CS(=O)(=O)N1CC(=O)OC(CO)C1=N,0,GDB ChEMBL
391469,NC12COC(=O)NC1C([NH3+])CC2O,0,GDB ChEMBL
172378,CC[NH2+]C(C)C1CCC(CC)OC1=N,0,GDB ChEMBL
163865,CC1CN=C(C(=O)NC(N)=O)N1,1,GDB ChEMBL
182508,CC1OC(=O)CC(C(C)OS(N)(=O)=O)C1[NH3+],0,GDB ChEMBL
324011,CCC(C)(C)C1CC(C(F)(F)F)C(C)(C)C1,0,GDB ChEMBL
116353,CCCC(C)(C)C(C)c1ncc(CC[NH3+])cn1,0,GDB ChEMBL
369911,COC(CO)C1CNS(=O)(=O)CN1,0,GDB ChEMBL
289227,C#CCN1C(C)C(C#N)CC=CCC12CC2,0,GDB ChEMBL
148736,C#CC(NC)C(C(C)[NH2+]CC)N(C)C,0,GDB ChEMBL
376017,CCC(C)CC1(C)CC2C[NH2+]CC1C2,0,GDB ChEMBL
317135,CC1(CO)C(O)C12CC[NH2+]CC2,0,GDB ChEMBL
155152,O=C1CC2c3ccc(F)nc3COC2O1,0,GDB ChEMBL
378303,CC([NH3+])(CCC[NH3+])C12CC(C#N)NC1C2,0,GDB ChEMBL
65945,NC(=O)C1(N)CN(CC(=O)[O-])C1,1,GDB ChEMBL
305357,[NH3+]CC(O)C(O)C1NC1(CO)C(=O)[O-],0,GDB ChEMBL
162933,CC1CCC([NH3+])C1Nc1ccccc1F,0,GDB ChEMBL
42288,OCC(O)COC1C=CC2CCCCC1C2,1,GDB ChEMBL
325694,CCCC1CN2C(=O)CC3C(CO)C=CC132,0,GDB ChEMBL
277567,Nc1nc(C(=O)[O-])n2c1CCNC2=O,0,GDB ChEMBL
380331,C#Cc1ccc(F)cc1C#CCC,1,GDB ChEMBL
33212,NC(=[NH2+])CCC1C=CCC(O)CCC1,0,GDB ChEMBL
124239,CNC(=O)[C-](C#N)COC1COC1=O,0,GDB ChEMBL
239150,CC[NH2+]C(C)(C)c1c(N)nc(NC)n1C,0,GDB ChEMBL
53691,CC1CC2=NC1C(O)CC=CCO2,1,GDB ChEMBL
29709,C[NH2+]C1C(OC)OC2C(C[NH3+])COC(=O)C12O,0,GDB ChEMBL
227640,COc1cc(N)c(N)c(C)[nH+]1,0,GDB ChEMBL
174219,O=C([O-])C12C(=O)NC3COC1C32,0,GDB ChEMBL
383279,CCCC1C(CC[NH3+])C1([NH2+]C)C(C)O,0,GDB ChEMBL
370306,CCC1C(C)C2CCC(C)CC2C1O,0,GDB ChEMBL
217052,C#CC1C(OCCC)CN2CC2C1COC,0,GDB ChEMBL
321383,CCC1(C)CC(O)C2CC2(C(C)[NH2+]C)C1,0,GDB ChEMBL
277547,C#CCC(N(C)CC(C)(C)CO)C(F)(F)F,1,GDB ChEMBL
306312,C#CC(CC)C(C)(O)CC(O)CC#N,0,GDB ChEMBL
130892,COC1CC=CC(C(C)(C)C)C1C[NH3+],0,GDB ChEMBL
298929,C1=CCCCc2c[nH]cc2CCCC1,1,GDB ChEMBL
53887,CNc1c(CO)nnn1CCOC,1,GDB ChEMBL
96069,CC1OCCC2CC1C1(C2)C(O)C(N)C[NH+]1C,0,GDB ChEMBL
153355,C#CC(O)(CO)CC(C)C(C)Cc1ncco1,0,GDB ChEMBL
280762,CC1(C)CC2CCCCCOC21,0,GDB ChEMBL
75875,CC(C)(C)CCCCC12CCC[NH+](CC1)C2,0,GDB ChEMBL
75071,Cc1cccc(C2=CCCC3CC23C)c1,1,GDB ChEMBL
100679,CC12CCC(CCC(CO)C(C)(C)C1)O2,0,GDB ChEMBL
372112,C#Cc1ccc2cc(Br)oc(=O)c2c1,1,GDB ChEMBL
255549,O=C1CCOCCC1CO,1,GDB ChEMBL
128266,CC1OC(C=O)C2[NH2+]CCCC12,0,GDB ChEMBL
42294,CCN=C(N)NC(=O)COC1COC1=O,1,GDB ChEMBL
304444,C#CC1C=CCC(C(C)(C)O)C1CC,0,GDB ChEMBL
388394,CCC1C[NH2+]CC2CCC(O)(CC(C)O)C12,0,GDB ChEMBL
94749,NC=[NH+]C(C(=O)[O-])C(O)C(N)=O,0,GDB ChEMBL
27977,CN1CCOC2CNC(=O)OC3CC(O)CC231,0,GDB ChEMBL
334618,CC([NH3+])C(O)C(C[NH3+])C([NH3+])C(=O)[O-],0,GDB ChEMBL
118474,N#CC(=O)c1ncnc(N)c1[O-],0,GDB ChEMBL
17071,CS(=O)(=O)NC(C[NH3+])C([NH3+])CO,0,GDB ChEMBL
360984,COc1c(C)ccc(=O)c2cnn(CCO)c12,0,GDB ChEMBL
7764,CC([NH3+])C(C)C(O)C(F)(F)F,1,GDB ChEMBL
102163,C#CCC1CC(C)(C)CCC2OCCCCC12,0,GDB ChEMBL
184123,[NH3+]C1C(O)C(O)C(O)COC1C1CNC(=O)C1,0,GDB ChEMBL
165620,C[NH2+]C1CC(O)C2OCC1C2C#N,0,GDB ChEMBL
182489,Clc1cccnc1N1CCC1,1,GDB ChEMBL
281634,C[NH+](C)C1CCCC(O)C=CC=CC1C=O,0,GDB ChEMBL
370315,C#CC(C)C(CC#N)CCC,1,GDB ChEMBL
236631,C#CC1(C)CC(C)CC1CCC[NH+](C)C(C)C,0,GDB ChEMBL
355189,N=c1nc(OCCC(=O)[O-])nc(C[NH3+])s1,0,GDB ChEMBL
215872,C#CC(CCC[NH2+]C)[NH+](C)C,0,GDB ChEMBL
77527,NC(=[NH2+])C(N)COC(C[NH3+])C(=O)[O-],0,GDB ChEMBL
31806,CC#CC(CC)C1C(C)CCCCC1(C)C,0,GDB ChEMBL
43917,CC[NH+](C)CC1=CCCC2CC(C[NH3+])(C1)C2,0,GDB ChEMBL
194699,NC(CO)C([NH3+])CCOCc1cc(Br)ncn1,0,GDB ChEMBL
313740,CCCn1cc(Br)cc(CC#CCO)c1=[NH2+],0,GDB ChEMBL
24037,CC(C)CCC1CCC(CC[NH3+])C1C,0,GDB ChEMBL
267885,CCCC(C)C1(C)CC(CC)CC(CC[NH3+])C1,0,GDB ChEMBL
193209,O=CC1C2CC(O)C1OCCS(=O)(=O)N2,1,GDB ChEMBL
332677,N#Cc1cn(CCC[NH3+])nn1,1,GDB ChEMBL
270095,[NH3+]CC1NC(=O)OCC2C1CNS2(=O)=O,0,GDB ChEMBL
103909,CN(CC(N)=O)C1CNc2n[nH]c(CO)c21,0,GDB ChEMBL
26425,C[NH2+]C1(COC)CCC=CC1=O,0,GDB ChEMBL
283419,CC1C(C)C2CCC1C1CCC2C1,0,GDB ChEMBL
384304,NC(=O)C1C2COC3C1OC(=O)C23,0,GDB ChEMBL
11023,C#CC(C)(C)c1c(F)cccc1COCC,1,GDB ChEMBL
20495,CC12NCc3nnnn3C1C2CC(=O)[O-],0,GDB ChEMBL
194281,[NH3+]CCC(O)C1C2CCC(CO)N21,0,GDB ChEMBL
114372,C#CC(C)(C)c1cc(C)oc1COCCCC,1,GDB ChEMBL
133024,CCCCC1C2C=CC[NH+]2C1C(C)C,0,GDB ChEMBL
94881,C#CCC1CC2CCC1C2CCCC,0,GDB ChEMBL
233928,Nc1ncnc(C(=O)[O-])c(=O)n1,0,GDB ChEMBL
138356,N#CCC(COC(=O)CN)NC=O,1,GDB ChEMBL
387090,CC1CC(=O)C=CNC1C#N,0,GDB ChEMBL
366727,CC(C)c1ccc(C#CC2CO2)c(F)c1O,1,GDB ChEMBL
69600,C#CCOCC1[NH2+]C(C)C(C#N)C1C,0,GDB ChEMBL
252694,N#CCC(O)C(=O)NC(N)=O,1,GDB ChEMBL
130832,C#CC[NH2+]C1(C)CC2CC1C(C)C2CC,0,GDB ChEMBL
240013,CC1CC2CCCC3CCOC3CCC[NH+]12,0,GDB ChEMBL
161969,CN1C(=O)CC2OC2C1CO,1,GDB ChEMBL
124183,CCNC(=O)CNc1cc(=O)[nH]nn1,0,GDB ChEMBL
187187,CC12CCCC3CC(C1)OCC32,0,GDB ChEMBL
176504,CCC(C)(C#CC(C)(C)C)CC1CC[NH2+]C1,0,GDB ChEMBL
235202,CC1C[NH2+]CC([NH3+])CC1COCC1CC[NH2+]1,0,GDB ChEMBL
264018,CN=C1NCC(C)(C)C2(O)CC(C2)C(=O)N1,0,GDB ChEMBL
142346,CCC1CC2(CC)CC[NH2+]C(C)C2C1O,0,GDB ChEMBL
89353,[NH3+]C12CC3NC(=O)C1C(O)C3C2,0,GDB ChEMBL
93098,C[NH2+]CC1C(CS(N)(=O)=O)C1[NH2+]C,0,GDB ChEMBL
113510,COCC([NH3+])C1CN(C=O)C1,0,GDB ChEMBL
369896,Oc1c2c(c(I)c3cn[nH]c13)OCCCC2,1,GDB ChEMBL
174667,CCC1(C)C(O)C(=O)OCC1(C)C(F)(F)F,0,GDB ChEMBL
174928,N#CC(N)C(CO)CC([NH3+])C(N)=O,0,GDB ChEMBL
41268,Cc1ccc(NC(=O)CO)o1,1,GDB ChEMBL
253559,CC1CC2COCCCC1(C)C1CCCC1[NH2+]2,0,GDB ChEMBL
11735,CCC1N2C(=O)COC3C[NH2+]CC3C12CO,0,GDB ChEMBL
362694,CCC1CCOC(=O)C(CCC(C)O)O1,1,GDB ChEMBL
338162,C#CC[NH+]1CC2CC1CC21CC1,0,GDB ChEMBL
347848,C#CCCCC(CC)C(CC)C1CC1,0,GDB ChEMBL
330509,CCC1C=C2CC=CC(C2)C2CC[NH+]1CC2,0,GDB ChEMBL
99126,CC[NH2+]CC1C2CC(C)=CC1C(C)C2,0,GDB ChEMBL
252086,C[NH2+]C12CN(CC1=O)C(=O)C[NH2+]CC(C)(O)C2,0,GDB ChEMBL
208445,C[NH2+]C1(C)C(C[NH3+])COC1C(=O)NC(=N)N,0,GDB ChEMBL
299767,CCCC1=C(C(C)C)C[NH+](C)C(C)CC=C1,0,GDB ChEMBL
284361,C[NH2+]C(C)C(N)C(N)(C#N)CNS(C)(=O)=O,0,GDB ChEMBL
8785,O=C([O-])C(CO)CC(O)C1OCC1=O,0,GDB ChEMBL
104908,CC1OC2C(=O)CCC1C2C,1,GDB ChEMBL
346989,C#CCC(C)CC(CC)c1ccc(C)c(Cl)c1,1,GDB ChEMBL
37653,CCc1cc(C(C)(C)O)c(C[NH2+]C)c(Br)c1Br,0,GDB ChEMBL
130824,CCC[NH2+]Cc1c(C(C)C)nc(F)c(N)c1C,0,GDB ChEMBL
139803,C[NH2+]C1CC2C(=O)C1NCC2O,0,GDB ChEMBL
26864,CC1CC2CCC3OC13C[NH2+]2,0,GDB ChEMBL
260684,COC1CC(=O)C2NCCC(C2=O)C(C)C1,0,GDB ChEMBL
354103,N#Cc1cc(CCO)cc(C2CC2)c1C[NH3+],0,GDB ChEMBL
53300,N#CCc1nc(N)cc2cn[nH]c12,1,GDB ChEMBL
85650,C1CCC2CC(C1)[NH+]1CC(C1)C21CC1,0,GDB ChEMBL
277635,CCC1(C(F)(F)F)NCC(O)C(C)C1CC#N,0,GDB ChEMBL
281848,COCCCc1nc(N)n[nH]1,1,GDB ChEMBL
228387,[NH3+]C1CC2OCCC1C2O,0,GDB ChEMBL
285594,C#CC(C(C)C)C1Cc2cccc(Cl)c2C1C,0,GDB ChEMBL
245537,C#Cc1c(O)nn(C2CC2)c1C,1,GDB ChEMBL
151092,C#CC12CC1(CO)C(CC[NH3+])C(C)[NH2+]2,0,GDB ChEMBL
368503,CC(C)N1CC(C)(C)CCC1C(F)(F)F,1,GDB ChEMBL
227562,NC(=O)C(N)C1(CO)C(C(=O)[O-])N1C=O,0,GDB ChEMBL
340473,C#CCC(O)C([NH3+])C(CO)NC=O,0,GDB ChEMBL
321810,C#Cc1nn(C)cc1-c1cccc(F)c1,1,GDB ChEMBL
89386,C#Cc1cc(I)c2c(C(C)CC)n(C)nc2c1,1,GDB ChEMBL
254865,CC1=CCC[NH2+]CC2CCCCCC(=C1)C2,0,GDB ChEMBL
312507,C[NH2+]C1(C(=O)[O-])C2OC(=O)NC(C)C1C2O,0,GDB ChEMBL
79548,NC(=O)C(O)C1OC(=O)CC2NC2C1O,0,GDB ChEMBL
81787,O=C(CO)NCC1CS(=O)(=O)N1,1,GDB ChEMBL
374942,CCNC(=O)C1C(CC)OC(=O)C1O,1,GDB ChEMBL
398179,C=CC(CC1CCCC1)CC1CO1,1,GDB ChEMBL
108160,N=C1NC=NC(C(N)=O)C2NCC(O)CC2O1,0,GDB ChEMBL
27011,C1CC2CC3CCCC2C(C1)O3,1,GDB ChEMBL
116625,CCCCC1(CCCC)CC(C)CCC1CC,1,GDB ChEMBL
121065,CCCCC1C2CC=CC(CC2)C1C,0,GDB ChEMBL
50355,CCC1(C)C(C)CC(=[NH2+])NCC1O,0,GDB ChEMBL
382953,Cc1c(C(C)(C)[NH+]2CCCC2)coc1C(C)C,0,GDB ChEMBL
81718,COCC(C#N)C(N)=NC1COC1,0,GDB ChEMBL
362056,Nc1ccc(C(C=O)(CCO)OCC=O)nc1,0,GDB ChEMBL
235641,C#CC(CO)c1cc(N)cc2c1C[NH2+]C2C,0,GDB ChEMBL
358459,CCCOC1CCCN(C=O)C1C([NH3+])C(C)O,0,GDB ChEMBL
353958,CCCCCC(C#CCC(C)[NH3+])C[NH2+]C,0,GDB ChEMBL
26856,C1=CC(C2CN(c3ccccn3)C2)CCC1,1,GDB ChEMBL
306330,CN=C(C)NC(=O)C(CO)NC(=N)COC,0,GDB ChEMBL
60946,CCCC[NH+]1C2CC=C(CC)C1COCC2,0,GDB ChEMBL
140405,CC1C2OC2C(C)N(C)C1C#N,0,GDB ChEMBL
330893,C#CC(C(C)OC(=O)CN)C1CC[NH+]1C,0,GDB ChEMBL
135825,CCN(C)C(=O)[CH-]C(=O)C#N,0,GDB ChEMBL
84581,CCN1C=C(C#N)C(N)C1=O,0,GDB ChEMBL
186762,C#CC12CC(C)C(C1)C(C)(CCC)CO2,0,GDB ChEMBL
248267,CCC1C(O)C1(C)C1CCC[NH2+]1,0,GDB ChEMBL
254887,CN(C)c1ncc2c(c1C[NH3+])CCN(C=[NH2+])C2,0,GDB ChEMBL
318807,CCNC(=N)N1C(=O)OCC1(CO)C(N)=[NH+]C,0,GDB ChEMBL
278127,N=C1OC2CC([NH3+])C1C2(N)C(=O)[O-],0,GDB ChEMBL
277906,C=CCC1CCCCC2(C1)CC2C,1,GDB ChEMBL
289857,CCCC(NC=O)C1=CCCC(C)(C)C1,1,GDB ChEMBL
115448,COCC1N=COC(CO)C1O,0,GDB ChEMBL
268150,CCC[NH2+]C1c2cn[nH]c2C2C(C)CC12O,0,GDB ChEMBL
248216,CC(=O)OC1(C)CC1(C)C,1,GDB ChEMBL
392722,CCCC1C(O)CC2(C)C(C1O)N2CC,0,GDB ChEMBL
299170,C#CCC(C)[NH2+]C(C)(C)C,0,GDB ChEMBL
233918,CC1C=CC=CCCCC(O)C(C)(C)C1,0,GDB ChEMBL
140771,NC(=O)Nc1c(C(N)=O)n[nH]c1[O-],0,GDB ChEMBL
375671,CC(=[NH2+])NCCC1NCC(=O)CC1C(=O)CO,0,GDB ChEMBL
161759,C#CC(C)C(C[NH3+])C(C)O,0,GDB ChEMBL
148789,CCS(=O)(=O)NC(C)CNC(=[NH2+])NC(C)=[NH2+],0,GDB ChEMBL
242931,[NH3+]CCC1CC(N2CC(O)C2=O)C[NH2+]1,0,GDB ChEMBL
217380,CC1CC2(C[NH3+])CC(C)C(O2)C([NH3+])CO1,0,GDB ChEMBL
368178,CC(O)CCC[NH2+]C1(CCC#N)CC[NH2+]CC1,0,GDB ChEMBL
392540,COC1C2CC3(CCOC3)C([NH2+]2)C1O,0,GDB ChEMBL
194750,NC(=NCc1ncncn1)OCC[NH3+],0,GDB ChEMBL
217682,CCCC1CC(OC)C2(C)C[NH2+]C(C)(C1)C2,0,GDB ChEMBL
315140,CC(NC(N)=O)C(C#N)CC(O)C(N)=O,0,GDB ChEMBL
66605,CCC(N)=[NH+]C(CC)CCOC(=O)C(C)=N[O-],0,GDB ChEMBL
112042,CC1CCC2(C)C3CCC(C3)C2C(=O)C1,0,GDB ChEMBL
148373,CCc1nccc(Br)c1CC,1,GDB ChEMBL
224042,COC1CC2C([NH3+])C2(C)C1O,0,GDB ChEMBL
17435,c1ccn(C2C3CCC2CC3)c1,1,GDB ChEMBL
298202,CCOC(=O)C1C(C)C2CC2[NH+](C)C1(C)C,0,GDB ChEMBL
354032,C[NH+](C)C1CC(C)([NH3+])C1,0,GDB ChEMBL
5355,CCNC(=[NH2+])C(O)Cn1ncccc1=O,0,GDB ChEMBL
303375,Nc1nc(O)c(S(N)(=O)=O)cc1O,1,GDB ChEMBL
181622,CC1C(O)C(CCO)C2CC12,0,GDB ChEMBL
181571,CC1=CC2CC2(Cc2ccc(Cl)nc2)C1,0,GDB ChEMBL
263504,NCC(=[NH2+])NCC(=O)OCC(O)C(N)=O,0,GDB ChEMBL
22070,CNC(=O)C1NC1C([NH3+])(CO)CO,0,GDB ChEMBL
119993,CC1CC(C)C2(C)CC3CCCCC(C3)C2C1,0,GDB ChEMBL
139830,C#CC(=CCC(C)(C)CC)CCC,1,GDB ChEMBL
365790,CCCc1c(O)cc(Br)c(O)c1NCC,1,GDB ChEMBL
16027,CCC1CCC2=CC(C)CC(C)(C)C2CC1,0,GDB ChEMBL
53665,COC(=NC1(CCCO)CC1)NC(C)=O,0,GDB ChEMBL
296595,C#CCC(C)CC1CC1CCCC(C)(C)C,1,GDB ChEMBL
61907,CCC1(CCOC)C2COC(=O)C(C2)C1C,0,GDB ChEMBL
386212,N#CC1CC(C(=O)[O-])OCC([NH3+])C(CO)CN1,0,GDB ChEMBL
22568,CCC(C)C(C)CC(C)(C)c1cccc(Br)n1,0,GDB ChEMBL
147557,CCC1CC2C(C)C=CC=CC1C2(C)C,0,GDB ChEMBL
24777,CC(N)C(=O)N1CCNC(c2ncns2)C1=O,0,GDB ChEMBL
50122,O=COCC1COC(=O)NCCO1,1,GDB ChEMBL
293787,CNc1nc(C(N)=O)cc(Br)c1NC(=N)CN,1,GDB ChEMBL
321386,CCC1C=CCC(CC)C(CCOC)C=C1,0,GDB ChEMBL
308186,CC#Cc1ccc(F)c2c1C(O)CC2,1,GDB ChEMBL
392727,CCCCC#CCOC1C=CC(C)C1(C)C,1,GDB ChEMBL
235908,C#CC(=O)NC1CC(CO)C(n2cccn2)C1,0,GDB ChEMBL
227778,CC(C(=O)[O-])[NH+](C)CCC(O)CCO,1,GDB ChEMBL
94738,NC1CNC(=O)C(=O)N(C=O)C1=O,1,GDB ChEMBL
330363,CNC(c1ccsc1)C1C2CC(C[NH2+]2)N1C,0,GDB ChEMBL
336623,Cc1cc(C2CC2)cc(C2CC2)c1Cl,1,GDB ChEMBL
153751,CCC(CO)(CO)C1CCOCCOCO1,0,GDB ChEMBL
330778,CCCC12CC=C(C)CC1C(C)CC2,1,GDB ChEMBL
334140,C[NH2+]C(C)CCCCC#CC=O,0,GDB ChEMBL
119821,CCc1cccc(C2CC(CC)C3[NH2+]C23)c1,0,GDB ChEMBL
325238,C#CC1C2CCC1(C)N2CC(=O)N(C)C,0,GDB ChEMBL
77269,CCC1C2CCCCC1C1(C)CCC2C1(C)C,0,GDB ChEMBL
379134,C#CCCc1cccc(O)c1F,1,GDB ChEMBL
161107,CC[NH+]=C(CO)NCc1cc(CC)ccc1Cl,0,GDB ChEMBL
50223,NC(N)=[NH+]CC1C=CC(=O)C(=O)N1,0,GDB ChEMBL
171869,Cc1nc(CC(=O)C2CO2)cs1,1,GDB ChEMBL
354453,C[NH+]1CC(O)C(C#N)OC(=O)C2CCCCC21,0,GDB ChEMBL
73874,C[NH2+]C1CCC(C2CO2)C1O,0,GDB ChEMBL
210381,CCC12NC(CO)C(O)C(OC1=NC)C2[NH3+],0,GDB ChEMBL
387320,N=C(N)NC(=O)OC1C[NH+]=C(N)OC1,0,GDB ChEMBL
159730,CC([NH3+])C[NH+]=C(N)C1(C)CN(C(=N)N)C(=O)N1,0,GDB ChEMBL
218799,CCC1(C)CC=CCC2C(C)CC1C2O,0,GDB ChEMBL
94676,CCCOc1cc(F)cc(N(C)C(=O)NC)n1,1,GDB ChEMBL
263859,CC(C(=O)N(C)S(C)(=O)=O)c1ccno1,1,GDB ChEMBL
279069,CC(O)C1NC(=O)N2C(=O)CNCC12C[NH3+],0,GDB ChEMBL
230478,COC(=O)C1CC2NS(=O)(=O)C1C(O)C2[NH3+],0,GDB ChEMBL
12871,C#CC(CC(C#N)OC(C)=O)C(C)(C)C,1,GDB ChEMBL
261159,CC1C=C2COC(C)(C)CC2[NH+](C)CCC1,0,GDB ChEMBL
384824,O=CCN(C=O)CC1(O)CCOCCC[NH2+]C1,0,GDB ChEMBL
293804,CC[NH2+]C(C)COCCCOC(N)=[NH2+],0,GDB ChEMBL
354382,CCCC1C(C)C2C(O)C(C)C1(C)C[NH+]2CC,0,GDB ChEMBL
5034,CC1(C)CC(C(C)(C)C)CC(C)(C)C1,1,GDB ChEMBL
151107,CC1CC2CC[NH2+]C(C2)C2C[NH+](C)C12,0,GDB ChEMBL
332692,COCC(C)(C)S(=O)(=O)NCC#N,1,GDB ChEMBL
113557,N#CC1(C(N)C(N)=O)N=C(N)COC1=O,0,GDB ChEMBL
140792,CCNC(=NC)NC(C#N)(C#N)C(N)=O,0,GDB ChEMBL
73852,CCN1CC([NH3+])C(c2cc(N)ncn2)C([NH3+])C1,0,GDB ChEMBL
248881,CCCC[N-]S(=O)(=O)c1nsnc1N,0,GDB ChEMBL
211014,C#CC[NH2+]Cc1c(C#C)ccnc1C(N)C#N,0,GDB ChEMBL
160002,Cc1c(C)c(Cl)c2c(c1N)C[NH2+]CCC(=O)O2,0,GDB ChEMBL
207392,C[NH2+]CCC1C2C=C(C)CC(C)C21,0,GDB ChEMBL
190098,CCc1nc(C2CC2)sc1C#N,1,GDB ChEMBL
141805,Cc1ccc(Cl)c(C(C)NC(C)(C)C[NH3+])n1,0,GDB ChEMBL
362613,CC1=CC=C(C(N)=O)CC2COC1C2,0,GDB ChEMBL
19386,CC1C2CCC(CC(C)(O)C3CCCCC13)O2,0,GDB ChEMBL
193258,CCC12C=CCOCC[NH+](C1)C2,0,GDB ChEMBL
17331,CCCC1(C)CCC2C(C)CCC3CCC1C32,0,GDB ChEMBL
95950,COc1nc(Br)c(O)cc1OCC[NH3+],0,GDB ChEMBL
13857,CC(C)C1C2CCC(CC1(C)C1CC1C)[NH2+]2,0,GDB ChEMBL
350938,COC1C=CCCCC(=O)C1(C)C#N,0,GDB ChEMBL
242961,CC1CC(C(C)(C)C)CC2(CO)C(C)CCC12,0,GDB ChEMBL
328817,CCC1=CCC2CCOCCCC1[NH2+]2,0,GDB ChEMBL
119858,C[NH+]1CCC2CCCc3ccc(F)cc3C21,0,GDB ChEMBL
320412,C=C(C)C(CC)C(C)CC(C)CC,1,GDB ChEMBL
180011,COC(=O)c1nc(N)nc(=O)nc1[O-],0,GDB ChEMBL
323356,C#CCOc1cc2cc(O)nc(O)n2c1,0,GDB ChEMBL
87547,C1CCC2CCCC(C1)C1CCC21,0,GDB ChEMBL
394907,N=C(C#CCC[NH3+])NC(=O)c1cocn1,0,GDB ChEMBL
186702,CC1(O)C(=O)NCC1C([NH3+])(CN)CO,0,GDB ChEMBL
33227,CC1C2C=CC(CC3CC2C3)C[NH+]1CCO,0,GDB ChEMBL
152637,C[NH2+]CC1(O)C2CC(C=O)[NH2+]C2C1OC,0,GDB ChEMBL
171872,CCC(=[NH2+])N(C)CC(CC)CC[NH2+]C,0,GDB ChEMBL
44552,CNC(=N)C(=O)CC(=O)NC(=N)N,1,GDB ChEMBL
3776,CC[NH2+]CCC1(OC)OC(CCO)C(=O)C1=O,0,GDB ChEMBL
324033,CCCCc1cc(C)c(Cl)c(Cl)c1Cl,1,GDB ChEMBL
267381,C[NH2+]CCCCC1(OC)COC1,0,GDB ChEMBL
103893,CCC1[NH2+]C2(CO)CC(C)C1C2,0,GDB ChEMBL
252668,C#CCCC(CC)C1=CCCCC1(C)C,1,GDB ChEMBL
234975,NC(=[NH2+])NC(=[NH2+])C1NC(=O)C(O)C1O,0,GDB ChEMBL
305206,CCCCC1C(C)CCC1[NH2+]C,0,GDB ChEMBL
129777,CCCCC(C)C12CCC(CC)(CO1)C(C)C2,0,GDB ChEMBL
60981,CCC1CC(C)(C)CC2=CCC(C)CC21C,0,GDB ChEMBL
9945,C#CCC(C([NH3+])COC)C(C)(CO)CCO,0,GDB ChEMBL
305469,CC1(CC#N)C2C=CC1[NH2+]CC2,0,GDB ChEMBL
220164,CC1NC(=[NH2+])N(C)C2C1C2(C)C(=O)[O-],0,GDB ChEMBL
244540,NC1C2NC(=O)C([NH3+])CCC(O)C12[NH3+],0,GDB ChEMBL
112813,CCCC#CC1=CCCCC2CC2C1,1,GDB ChEMBL
180863,C[NH2+]C(C=O)C1(C)CCCOCC[NH2+]CC1,0,GDB ChEMBL
207955,C#CC1=CC(C(C)O)C(C)C1CC(C)C,0,GDB ChEMBL
324307,COC1C(=O)NC(C)(C)C1(O)CO,0,GDB ChEMBL
334385,CNC(=O)C1OC(C[NH3+])C2(O)CC12O,0,GDB ChEMBL
157477,CCCc1ccc2c(O)c(C(C)C)cn2c1,1,GDB ChEMBL
271051,CC12CC(=O)NCCC(NC1=[NH2+])C2N,0,GDB ChEMBL
234211,CCC[NH2+]C1C(N)C[NH+](C(C)(C)C)C1CC,0,GDB ChEMBL
209843,NC(=[NH2+])CCN1CC([NH3+])C1,0,GDB ChEMBL
394238,COC1C(=O)NC(C)(C)C(C=O)(CC#N)C1O,0,GDB ChEMBL
288136,N#CCOC(N)=NC(C=O)CO,1,GDB ChEMBL
222565,CC1OC(C)C(C)c2c3c(cc(N)c21)OCC3,0,GDB ChEMBL
307937,CC(N)(C[NH3+])C(=O)[O-],1,GDB ChEMBL
307896,CC1C(=O)NC(=O)CC2CN21,0,GDB ChEMBL
157453,N#CCN1CC(C=O)NCC(C(=O)[O-])OC1=O,0,GDB ChEMBL
323326,COC(=O)N1CC(C2CC2)CCC1=O,1,GDB ChEMBL
140303,CNC(=[NH2+])OCC(CC[NH+]=C(N)N)C(C)C,0,GDB ChEMBL
291882,C#Cc1cnc2sccc2c1F,1,GDB ChEMBL
108690,C#CCCC(C)[NH+]1CC(C(C)CC)C1C,0,GDB ChEMBL
47676,C#CC1(C#C)C(O)C[NH2+]CC1COCC(=O)[O-],0,GDB ChEMBL
341186,C#CC([NH3+])c1cccc(O)c1,1,GDB ChEMBL
285726,[NH3+]C1C2CNC(CO)C1NC(=O)O2,0,GDB ChEMBL
114766,CC[NH+]=C(NCCOCC(C)O)NCC(C)O,0,GDB ChEMBL
210425,Cc1cnn(CCOC(N)=[NH2+])c1C,1,GDB ChEMBL
83062,CC(C)CC1C(C)CC(C)CCCC1C(C)C,0,GDB ChEMBL
385908,CC1(C)CC2CCC(CO)(CCO2)C(=O)O1,0,GDB ChEMBL
68506,CC(=O)N(C=NCC=NO)CC(C)C(=O)[O-],0,GDB ChEMBL
346993,CC1CC(C)(C(=O)[O-])C2C1C2([NH3+])C(N)=O,0,GDB ChEMBL
355168,Cc1ccc(O)cc(C(C)(C)O)c(N)co1,0,GDB ChEMBL
321801,CC#Cc1cc(C)cc(C#CCC)c1,1,GDB ChEMBL
195192,C#CCC(C)(CCCCC1CO1)CC(C)C,0,GDB ChEMBL
349508,NS(=O)(=O)C1C(=O)NC2CC([NH3+])CCOC21,0,GDB ChEMBL
372548,CC1C=CC(O)CC2=CC(=O)C1(C)C2,0,GDB ChEMBL
377960,CC1(C=O)NS(=O)(=O)CC1OCC(=O)[O-],0,GDB ChEMBL
252683,CC(O)c1cc(C(C)C(N)=O)on1,1,GDB ChEMBL
132816,CC(C)(O)CC(=O)CC(C)(C#N)NS(C)(=O)=O,1,GDB ChEMBL
257970,[NH3+]C1C2C(=O)N(CCCO)C12,0,GDB ChEMBL
23480,CCC1[NH2+]CC(O)c2cc(=O)onc21,0,GDB ChEMBL
191690,CCC(C)(C)CCC(O)C#CCCC(N)=[NH2+],0,GDB ChEMBL
300239,NC(=O)Nc1c(N)sc2c1C(=O)OC2,1,GDB ChEMBL
182902,C[NH2+]CC(N)C1C=CC(C)(O)C(O)C1C#N,0,GDB ChEMBL
265281,CC1CC([NH3+])C(C)C(O)CCCCCC1C#N,0,GDB ChEMBL
291886,CCN1CCC(CC=O)NC1=[NH2+],0,GDB ChEMBL
95553,CCC(C)C1C(CC(=O)[O-])C1(O)C(C)O,1,GDB ChEMBL
127901,C1=CC2CC(CCC1)OCCCC2C1CC1,0,GDB ChEMBL
269220,CC1=CC(C)(C)[NH2+]C(CN)C1,0,GDB ChEMBL
185307,CC1(O)CCNC(=[NH2+])C(=[NH2+])NCC(N)C1,0,GDB ChEMBL
99079,O=CC1N2C(=O)CCC(O)C12CC(=O)[O-],0,GDB ChEMBL
202042,C[NH2+]CC[NH+]=C(N)C(CN)C[NH2+]CCCC[NH3+],0,GDB ChEMBL
395913,CC1[NH2+]C(C(O)C(=O)[O-])C(OC(N)=O)C1O,0,GDB ChEMBL
50303,CCCC1C2CCCC[NH+]12,0,GDB ChEMBL
29798,CCOC1(C)C(C[NH2+]C)CCC(C[NH3+])C1(C)C,0,GDB ChEMBL
200761,COCC1([C-](C(N)=O)S(C)(=O)=O)CC1C#N,0,GDB ChEMBL
295865,CCC1(C)CCCC1CC(C)C,1,GDB ChEMBL
119918,C#CCOCC1(CCC)CCC(=O)CC1CC,0,GDB ChEMBL
342595,CNC(=O)NC(C[NH+]=C(N)N)COC=N,0,GDB ChEMBL
18895,CC(O)C(=O)N1C(C)C1C,1,GDB ChEMBL
125662,CCC(CCCC1(C)CC1)CCC(C)C,1,GDB ChEMBL
92284,CCC1OC1(C)CC(F)(F)F,1,GDB ChEMBL
45084,N=C(N)NC(=O)C1CC(=[NH2+])N1,0,GDB ChEMBL
330796,CCC1N=C(C[NH+](C)C(C)CO)OC1(C)C,0,GDB ChEMBL
177877,CC1CC([NH3+])C(C#N)OCC1[NH3+],0,GDB ChEMBL
228315,CCc1[nH]cc(C(C)=N[O-])[nH+]1,0,GDB ChEMBL
294428,O=CNCc1cnc(CO)c(F)c1,1,GDB ChEMBL
184491,C#CC(O)CN(C(N)=O)C(=O)CN,1,GDB ChEMBL
214715,CCCC[NH2+]C12CNC(=O)C1CC(O)C2,0,GDB ChEMBL
124875,COCC1([NH3+])C(C)CC(O)C(C)C(C)CC1O,0,GDB ChEMBL
332683,CCCC1CCCC(c2ccnc(C)n2)[NH2+]1,0,GDB ChEMBL
252087,CCC(CC)C(C)CC(C(C)=O)C(CC)CC,1,GDB ChEMBL
70786,NC(=O)CNC(CCCCO)c1nn[nH]c1[O-],0,GDB ChEMBL
380596,CCCC1C(=[NH2+])N(C)CC(C)CC1C#N,0,GDB ChEMBL
377298,CC12CCC=CCCC(O)CC(C1)C2,0,GDB ChEMBL
343947,CC=CC(C)CC=CCC(C)(C)C,1,GDB ChEMBL
380280,CC(=O)c1nnnc(CC(=O)[O-])cc1=O,0,GDB ChEMBL
365799,C[NH2+]CC1(C(N)=O)C2CC(C2)C(O)CN1C,0,GDB ChEMBL
250551,NC(=O)C1C([NH3+])C(O)C(O)CC1(O)CO,0,GDB ChEMBL
230411,CC(CC[NH3+])CNC1C(C(N)=O)NCC1(C)[NH3+],0,GDB ChEMBL
130418,O=C1CCC(O)CC1,1,GDB ChEMBL
9847,NC(=[NH2+])C(CCO)(NC(N)=O)C(N)=O,0,GDB ChEMBL
177034,C[NH+]1CCC2OC(=O)C3CC(CN3)C([NH3+])C2C1,0,GDB ChEMBL
353945,COC1(c2ccccc2)C[NH2+]C1,0,GDB ChEMBL
358638,CCOC1CC2NC2C1CO,0,GDB ChEMBL
11001,CC1=CC2Cc3cc(Cl)ccc3CC2C1,0,GDB ChEMBL
164699,O=C1NC2CC1C1[NH2+]CCOC2C1O,0,GDB ChEMBL
361029,N#CC1(N)C2CC(C(N)=O)C1C(C([NH3+])CO)O2,0,GDB ChEMBL
34450,N#CC1CCOC(C(=O)[O-])C1(O)C(N)=[NH2+],0,GDB ChEMBL
383323,CS(=O)(=O)N1CCOC2CC21,1,GDB ChEMBL
105971,CCC1C(=[NH2+])N(C(N)=[NH2+])CCC1=O,0,GDB ChEMBL
93404,CCN(C=[NH2+])C12CCC(C1)NC2=O,0,GDB ChEMBL
296310,CCC1(C)C=C(C)CCC=CCCC1,1,GDB ChEMBL
378078,Cn1c(O)cc(CCc2ncncn2)cc1=O,1,GDB ChEMBL
251440,COc1cc(N2C3C=CC2C=C3)[nH+]cc1N,0,GDB ChEMBL
279999,COCC1C(O)C2C(C)C1C2CC[NH3+],0,GDB ChEMBL
29478,CCNC(=O)c1c(NC(C)=O)csc1N,0,GDB ChEMBL
35332,CCOC(=O)NC1C(N)C(NC)C(N)C1[NH2+]C,0,GDB ChEMBL
196709,C#CC(COC)[NH2+]CCC#CC,0,GDB ChEMBL
209690,Oc1cc(F)c(F)c2c1CCC=CC=C2,1,GDB ChEMBL
250530,CCC1CC2CCC3[NH2+]C1CC3C2,0,GDB ChEMBL
148505,C#CCC1C=CC(O)(C(C)[NH2+]C)C1OC,0,GDB ChEMBL
307544,C[NH2+]CC(O)Cc1nc(C)nc(N)c1N,0,GDB ChEMBL
61906,CC1(C)CCN=C(c2ncc(F)cc2O)O1,0,GDB ChEMBL
38599,[NH3+]C1CC2CC1OCCC2O,0,GDB ChEMBL
107647,CC1=CC(C)(C)CC(C)C[NH+]2CC=C1CC2,0,GDB ChEMBL
159895,CC1(C(N)=O)CC1(O)C1NCCNC1=O,0,GDB ChEMBL
336607,Cc1cc(NCCC#CC2CC2)cs1,1,GDB ChEMBL
257426,C#CC1(CC[NH+](C)C(C)CO)CCC[NH+]1CC,0,GDB ChEMBL
252096,CCC1[NH+]2CCC(C2)C12CC(C)C[NH+](CC)C2,0,GDB ChEMBL
301427,CNC1(C(=O)NC(=N)N)C(C)C1(O)C[NH3+],0,GDB ChEMBL
236720,CCCc1cc(O)cc2c1C=C(C)CC=C2,1,GDB ChEMBL
261435,CCc1c(Cl)ccc2[nH]ccc12,1,GDB ChEMBL
261318,COC1CC1Cc1cscn1,1,GDB ChEMBL
53258,CCC1CCC([NH2+]C)C2(OC)CC(O)C12,0,GDB ChEMBL
59670,Nc1n[nH]c2cnc(CCO)nc12,1,GDB ChEMBL
77728,CN=c1[nH]c(=O)[c-](C#N)n1C(N)=O,0,GDB ChEMBL
382605,CCCC1C2CC2[NH2+]C2C[NH+]1CCC2CC,0,GDB ChEMBL
151270,CC1C2CC3CC(Cc4ccc(Cl)cc43)C12,0,GDB ChEMBL
396110,CC1C(CCNC(N)=[NH2+])C1(O)C([NH3+])C(N)=O,0,GDB ChEMBL
249875,CCC1C=CCC1(C)CC1CCOC1,0,GDB ChEMBL
363550,CCC(O)C1(CCOC)CN1,0,GDB ChEMBL
20090,CC1(O)C(O)CC2C[NH2+]C(C(N)=O)C21N,0,GDB ChEMBL
321413,N#CCC#CCC([NH3+])C(=O)[O-],1,GDB ChEMBL
338902,C#CCC(CCC#CC)OCC=C,1,GDB ChEMBL
113495,CC(C)C1=CCCC2C[NH2+]C(C1)C2,0,GDB ChEMBL
165940,CC1(C([NH3+])C(N)=O)COC2(C)C(O)C=CC12,0,GDB ChEMBL
77288,Cc1c(F)ccc2c1C1CC1C2CC[NH3+],0,GDB ChEMBL
211115,CCNC(C#N)C1(CO)CC([NH3+])C(C(C)O)O1,0,GDB ChEMBL
177073,C[NH2+]C(C)C(C)C([NH3+])COC,0,GDB ChEMBL
81723,N#CCC(=N)NC(=N)NC(=O)NCC[NH3+],0,GDB ChEMBL
99100,COC1(CO)C(C)C12CCC(=O)N(C)CC2,0,GDB ChEMBL
348841,CCC1C2C=Cc3c(C)cc(F)cc3C21,1,GDB ChEMBL
210245,CCCC(C)(OC)C1CN1CC,1,GDB ChEMBL
391642,Nc1cc(NC(=O)CCO)[nH]n1,1,GDB ChEMBL
210431,C#CC1Cn2c(C)c(C)c3c(F)ccc1c32,1,GDB ChEMBL
258227,Cc1cc(CC2C3CCC2CC3)nn1C,1,GDB ChEMBL
81063,CC(C)([NH3+])CC(CC#N)CCN1CC1,0,GDB ChEMBL
379903,C[NH2+]C1CC(O)C(=O)OCC1O,0,GDB ChEMBL
69628,N#CCC1(C[NH3+])CNS(=O)(=O)CC([NH3+])C1O,0,GDB ChEMBL
330744,CN1CC23NC2(C1)C(C(=O)[O-])C1CC13,0,GDB ChEMBL
304063,[NH3+]C1CNC2C(=O)NC(C(=O)[O-])C23OC13,0,GDB ChEMBL
177252,N#CC1(N)CC(CC(N)=O)CNC1=O,0,GDB ChEMBL
252323,CC12COc3cnccc3CC1O2,0,GDB ChEMBL
310315,CC1C2C=CCCCC1CCC=C2,0,GDB ChEMBL
306362,O=C1NC2CC[NH+]3CC(O)CC2C13,0,GDB ChEMBL
330903,C#CC1(C)CC[NH+](C)C1CC,0,GDB ChEMBL
26346,CCC1OC(C)C(C(CC[NH3+])OC)C1C(C)C,0,GDB ChEMBL
205816,O=C1CC(=O)NC(=O)CCN1,1,GDB ChEMBL
348444,CC1=CC2CC2(c2ccccc2C)C1(C)C,0,GDB ChEMBL
13784,C[NH2+]CCCC1([NH3+])CC1O,0,GDB ChEMBL
79612,NC(=[NH2+])N1C=CC2C1C(=O)N2CC(=O)[O-],0,GDB ChEMBL
73261,CCC([NH3+])C1(O)CC1C(=O)[O-],1,GDB ChEMBL
7808,C[NH+]1CCC1C1OCC=CCO1,0,GDB ChEMBL
124283,COCCNC1(C)CNC(=[NH2+])COC1,0,GDB ChEMBL
141943,CC(C)C1CC2C(C)CC1(C)C2C1CCCC1,0,GDB ChEMBL
298227,C#CCC(CC)CCCC#CCC(C)C,1,GDB ChEMBL
304043,CCN1C(=N)NC(=O)C1CC(=N)OC,1,GDB ChEMBL
282188,CNC(=[NH2+])c1coc2ccc(N)cc12,0,GDB ChEMBL
42269,CC#Cc1cccc(C[NH3+])ccc(C)o1,0,GDB ChEMBL
143166,CC1CN(C)C(C)C(=O)CN1,1,GDB ChEMBL
196729,C#CC1CC(C)CCC1C(C)(C)CCCCC,1,GDB ChEMBL
127886,CCCC1=CCC[NH2+]C1,1,GDB ChEMBL
245482,C#Cc1ccc(-c2cnc(O)c(Cl)c2)cc1,1,GDB ChEMBL
201172,CNC(=O)C1C([NH2+]C)CC(N)C(C[NH3+])N1C=O,0,GDB ChEMBL
2145,COc1ncc(C)c2c1C1C=CC2C1,1,GDB ChEMBL
266213,CC(=O)NC(=N)N1CC1c1ncco1,0,GDB ChEMBL
8661,N#CC(CC(N)=O)(NC=[NH2+])C(=O)[O-],0,GDB ChEMBL
246785,CCC12CCC([NH+]3CCOCC3)(CC1)C2C,0,GDB ChEMBL
151758,CC12C=CCC1C2c1ccccc1Br,0,GDB ChEMBL
195232,CC1C(=O)NCC2CC3CC3C21,0,GDB ChEMBL
274639,CCC1(C)CC(C)[NH2+]CCCC12CCCC2C,0,GDB ChEMBL
171873,CC1OC2CC(C([NH3+])CO)CC2O1,1,GDB ChEMBL
311364,CC#CC1(OCC(C)O)CCC1,1,GDB ChEMBL
392288,Cc1sccc1CC1(C)CCC2CN21,0,GDB ChEMBL
174303,COCC([NH3+])C(Cc1csc(O)n1)OC,0,GDB ChEMBL
225055,CC[NH2+]CC1(C[NH3+])C(CO)C(C)C(C)C1CO,0,GDB ChEMBL
393955,COC(=O)N1CC(C)C2C(C)(O)CC3CC321,0,GDB ChEMBL
358538,NC(=O)C1NC(CS(N)(=O)=O)C([NH3+])C1O,0,GDB ChEMBL
368230,Cc1c(O)cc(=O)[nH]c1C(=O)[O-],0,GDB ChEMBL
44954,CCOCC#CC(CCCO)C1C=CCC1,0,GDB ChEMBL
331752,CC1CC2CC=CCC3CC(C)C1C23,0,GDB ChEMBL
388409,CC1CC2CNC(C=CCC1O)C2=O,0,GDB ChEMBL
318742,CC(CCc1n[n-]cc(C#N)c1=O)NC=O,0,GDB ChEMBL
318526,CCCC(=O)Cc1c(O)c(F)c(O)c(C)c1F,0,GDB ChEMBL
318735,CNc1ncc(=O)c(C(F)(F)F)c(CO)c1C,0,GDB ChEMBL
316449,CCCC1C([NH3+])CCC2OC21,0,GDB ChEMBL
344287,C#CCC1CC2(CC2)c2cccc(F)c21,1,GDB ChEMBL
192616,CCc1c(Br)c(CC(C)CC)cc2n[nH]cc12,1,GDB ChEMBL
116412,COC(CO)C(O)C1C([NH3+])CN1C(=O)C[NH3+],0,GDB ChEMBL
61965,CCC(=O)C(O)C(=N[O-])C(CO)(CO)OC,0,GDB ChEMBL
97123,COC12CC(O)C(C1)NC(C#N)C2(C)N,0,GDB ChEMBL
300155,C#CC[NH+]1CCC2=CCC(C)(C)CCC21,0,GDB ChEMBL
323148,CS(=O)(=O)CC(C(N)=[NH2+])C(=O)C(N)=O,0,GDB ChEMBL
305476,COC1C([NH3+])CN2C(CO)C12C,0,GDB ChEMBL
37341,NC(=O)C1C2CN(C=O)C1C(O)C2=O,0,GDB ChEMBL
71672,CC1(C)C=C(C2(C)CC=CC2C(=O)[O-])CC1,0,GDB ChEMBL
163419,C[NH2+]CCCC(=CC(C)(C)O)C[NH3+],0,GDB ChEMBL
384250,CC(C)COCCC1CN1CC#N,1,GDB ChEMBL
38870,CC(C)(OCc1cncs1)C(C=O)NC(N)=[NH2+],0,GDB ChEMBL
282181,C#CCC(C)N(C=O)C(=N)OC,1,GDB ChEMBL
23665,CC1C2CC([NH2+]CCCO)C1(C)C2C,0,GDB ChEMBL
167278,CC12C=CC(=O)C(CC1)C2O,1,GDB ChEMBL
3761,COC(C[NH3+])CC1C=C(C)C(C)=C1,0,GDB ChEMBL
132883,CC1OC2C(=O)[N-]S(=O)(=O)C(C2O)C1C[NH3+],0,GDB ChEMBL
321782,C#CCCC(C)C1C(=O)C2CCCCC1(C)C2,0,GDB ChEMBL
127267,CC1COC2CC(O)C([NH+]=C(N)N)C2N1,0,GDB ChEMBL
161964,CCC(CO)S(=O)(=O)[N-]C(=O)C(N)=O,0,GDB ChEMBL
53659,CCC12C[NH2+]CCC(O)CC1(OC)C(C)OC2,0,GDB ChEMBL
339952,CCCc1cc(N)c(N)c2scnc12,1,GDB ChEMBL
296412,CCN(CC#N)C(C)(C)CC1(C=O)CCC1,1,GDB ChEMBL
179333,C#CC[NH+](CC)C(C)(C#C)C1CC1,0,GDB ChEMBL
99451,CC1C2CCC3C(CCCC13)CO2,0,GDB ChEMBL
184481,CC(C(N)=O)n1nnc2c([O-])cn(C)c21,0,GDB ChEMBL
174052,CCCC1NC(CC[NH3+])C1[NH3+],0,GDB ChEMBL
204844,COC1C=CNC(=O)C1,1,GDB ChEMBL
42276,C#CCC(C(=O)CC#N)c1ccc(F)cc1,1,GDB ChEMBL
208229,CC12CC3OC14C(O)C3NC(=O)C24,0,GDB ChEMBL
191348,NC(=O)CNc1nc(C(=O)[O-])ns1,0,GDB ChEMBL
363216,COC=NC1CC(C)[NH2+]CCOC1=O,0,GDB ChEMBL
395969,CC1CCC1=Cc1cccc(F)c1,1,GDB ChEMBL
17572,CC(=O)C1CCCCC=CC1=O,1,GDB ChEMBL
89370,CCC(C)(C1C[NH2+]CCC1(C)C)C1(C)CO1,0,GDB ChEMBL
5251,C=C(COCCO)C1(CC)CCC1,1,GDB ChEMBL
35482,C[NH2+]C1CCC(O)C1(C)O,0,GDB ChEMBL
317742,COC(=O)C1CNC(=[NH2+])NC1=N,0,GDB ChEMBL
26403,CC#CCCc1ccc(C(C)(C)C[NH3+])s1,0,GDB ChEMBL
23608,N=C1NCc2c(N)ccnc2C(=O)N1,1,GDB ChEMBL
239344,CC(O)CN1CC(=O)C(S(N)(=O)=O)C1,0,GDB ChEMBL
133004,CCc1ccc2c(c1)C(C)C1C(C#N)OC21,0,GDB ChEMBL
260744,CCC1CC2CCC(C)CC(C)CCC2(C)[NH2+]1,0,GDB ChEMBL
275579,CCC1CCC2CC=CCC1C2CC,0,GDB ChEMBL
208615,C[NH2+]CC1C(=O)C(C)=CCN(C)C1=O,0,GDB ChEMBL
47541,CC1=CC2(C)CC(C[NH+](C)CCCC1)O2,0,GDB ChEMBL
267313,NC(=O)C1(O)C=CCCC1,1,GDB ChEMBL
70804,C[NH2+]CC(C)CCC1(C)[NH+]=C(N)CCC1C#N,0,GDB ChEMBL
382224,C#CC(C)C1CCCCCCC=C1C,0,GDB ChEMBL
5202,CC1CCCCC2CCC=CCC=C12,1,GDB ChEMBL
394890,CC1C2C(O)C(CN1C(N)=O)OC(=O)N2C=O,0,GDB ChEMBL
124169,COC(CCO)CNC1=[NH+]CCC1O,0,GDB ChEMBL
214413,CC(C)C1(C)C2CCC(C2)[NH+]2CCCC1(C)C2,0,GDB ChEMBL
81558,CCC1CCN(C)c2c(C)c(Cl)c(C)c(Cl)c21,1,GDB ChEMBL
84976,CCC1C(C)C(O)CC(C)C1(C)O,1,GDB ChEMBL
252324,CC(C)(CO)CC([NH3+])C(O)CC(=[NH2+])N1CC1,0,GDB ChEMBL
204567,C=C(C#CCCC)CC(=O)OCC,1,GDB ChEMBL
316139,CC1(O)C(=[NH2+])NC2C(CO)CC1(C(N)=O)C2O,0,GDB ChEMBL
358446,[NH2+]=c1cc(Nc2nccs2)cc(C=O)[nH]1,0,GDB ChEMBL
214709,C[NH2+]C(C)CCn1ncnc1CO,0,GDB ChEMBL
150502,C=C(C#N)C12CC(=O)NC(C)C1O2,0,GDB ChEMBL
347875,Cn1ncnc1C1(N)C(O)C[NH2+]CC1C(=O)[O-],0,GDB ChEMBL
311664,CNC1C(=N)NC(=O)C1(O)COC(N)=O,0,GDB ChEMBL
222791,CCCCC1(CC)C=CCC(C)(C)CCC1,0,GDB ChEMBL
280791,CCC(CO)(CC1(CCO)CC1)OC,0,GDB ChEMBL
278182,[NH3+]CC1(C([NH3+])CCC(=O)[O-])CC1,0,GDB ChEMBL
214021,CC([NH3+])C(C)C1(O)CC(C)([NH3+])CNC1=O,0,GDB ChEMBL
344258,[NH3+]CCC12CC13OCC2NC3=O,0,GDB ChEMBL
119285,CN1C(=N)NC(C(C)(C)O)C2(CCC2)S1(=O)=O,0,GDB ChEMBL
292550,C#CC1(Cc2cncnc2CC)CC1,1,GDB ChEMBL
298213,CC(=O)NC(=O)C1(C)C=C(CO)CO1,0,GDB ChEMBL
310107,N#CC(C#CS(=O)(=O)NCCO)CC(=O)[O-],0,GDB ChEMBL
179442,COC1CC(O)C(O)C1C(=O)C(N)=O,1,GDB ChEMBL
203787,Cc1cccc(O)c(CC(C)C[NH3+])ncnc1,0,GDB ChEMBL
359126,CS(=O)(=O)Cc1ncn2cc(Br)c(N)cc12,1,GDB ChEMBL
277962,COC1C2[NH2+]C(C)C1OCCC2[NH3+],0,GDB ChEMBL
277410,CC1=CCC2CC=CC(C)CC(C[NH2+]2)C1,0,GDB ChEMBL
272573,CC#CCCCC#CC(C)(C)O,1,GDB ChEMBL
6496,CC12CCC3COC1CCC32,0,GDB ChEMBL
210713,CC(C)C1C[NH2+]C(C)(CC(C)C(C)CO)C1,0,GDB ChEMBL
26339,CC=C1C(=O)CC([NH+](C)C)C1(C)C,0,GDB ChEMBL
309696,COC1CC2(O)C(=O)NC1C2S(N)(=O)=O,0,GDB ChEMBL
83126,C#Cc1c(Cl)ccnc1C(C)CC1CC1,1,GDB ChEMBL
184876,CC1[NH2+]C2CN(C)CC2(O)C1C(O)C(=O)[O-],0,GDB ChEMBL
221097,NC(=O)OC1C(O)C12C(=O)CNC2=O,0,GDB ChEMBL
8767,CC1C(C)C(C)(C2(C=O)CCCCC2)C[NH+]1C,0,GDB ChEMBL
160866,NC(=[NH2+])NCC1(N)CC1CO,0,GDB ChEMBL
247552,CC(=O)NCC12CCC(O1)C1OCC12,0,GDB ChEMBL
40413,C#CC(C#C)c1cc(F)cc(C(C)(C)OC)c1,0,GDB ChEMBL
252900,O=C1CC2C=CC=CCC(C2)N1,0,GDB ChEMBL
162923,NC(=[NH2+])NC1CC(O)CNCC(=O)C1=NO,0,GDB ChEMBL
346521,C[NH+]1CC2C3OC3C1C1CCCCN21,0,GDB ChEMBL
226209,CCCC[NH2+]C1(C(=O)CCC)C=CCOC1,0,GDB ChEMBL
37112,CC1CS(=O)(=O)COCOCCC(=O)N1C,0,GDB ChEMBL
216149,NC(=O)c1sncc1C1CC1[NH3+],0,GDB ChEMBL
255461,CC[NH2+]C1CCCC2CC2C1C(C)C,0,GDB ChEMBL
197248,C#CC[NH2+]C(C)C1(C)CCN(C(=O)NCC)C1,0,GDB ChEMBL
275533,CCC(C1CCC[NH2+]CC1)C(F)(F)F,0,GDB ChEMBL
396078,CCC[NH2+]CCC(CC)OC=O,0,GDB ChEMBL
101529,O=C([O-])c1ccc(I)c(I)c1,1,GDB ChEMBL
285610,COCC1CC1C(C)CNC(=[NH2+])CN,0,GDB ChEMBL
51042,CCC1C2(C)CCC(CC(C)C2)C1(C)CC,0,GDB ChEMBL
355830,CC1=CCOc2c(C)c(F)cc(C3CC3)c21,1,GDB ChEMBL
85834,CC1CC(=O)Nc2nsc(N)c2N1C,0,GDB ChEMBL
228412,COCCC1C(=NO)CN1C(C)=O,1,GDB ChEMBL
153743,CCCC1C2CCC([NH+]1C(C)C)C2(CC)OC,0,GDB ChEMBL
260155,CC(CO)C1C=CC(=[NH2+])NC1CC[NH3+],0,GDB ChEMBL
16512,Clc1cncnc1C1=CCCC1,1,GDB ChEMBL
80254,CCOC(C)C1(C(=O)[O-])CC2[NH+]=C(N)CC2[NH2+]1,0,GDB ChEMBL
202025,CCC(=O)NCCC(O)C(C)=O,1,GDB ChEMBL
28310,CC1(O)CN(C(=O)C[NH3+])C1C[NH3+],0,GDB ChEMBL
6545,C=C1C(=O)OC2C([NH2+]CC)C12CC,0,GDB ChEMBL
372666,C#CC(O)(C[NH3+])C(C)CO,1,GDB ChEMBL
93429,C#CC1CC(CC(C)(C)COC)C1,1,GDB ChEMBL
97096,Cc1nn2c(C3CC3)c(C)c(N)nc2c1N,1,GDB ChEMBL
340424,Cc1cc(Br)c2c(c1)C(C)C1CC1CC2,0,GDB ChEMBL
387085,N#CC1N2C(=O)C(O)C([NH3+])C12C(=O)[O-],0,GDB ChEMBL
153210,COC(=O)C(N)CNc1nonc1OC(C)=O,1,GDB ChEMBL
21738,CC[NH2+]C1C(O)CC2(C#N)C(=O)OC12C,0,GDB ChEMBL
182116,CCC1(OC(N)=O)CC(c2ccco2)N=C1N,0,GDB ChEMBL
95493,CNC(C#N)CN(C)c1cc(C)c(C)cc1C,1,GDB ChEMBL
67847,C[NH2+]CC1(OCC(N)=[NH2+])CC(=O)OC1C(=O)[O-],0,GDB ChEMBL
284354,N#CC(OC(=O)c1cn[nH]n1)C(=O)[O-],1,GDB ChEMBL
347938,C[NH2+]C(C(=O)[O-])C(O)C1(C)[N-]C(=O)NC1=O,0,GDB ChEMBL
214025,C[NH2+]C(C)C1(N)CC1NC(=O)OC,0,GDB ChEMBL
358303,CC(O)C1(C(CCO)C(N)=O)CN1,0,GDB ChEMBL
318030,CCn1cnc(N)c(C)c1=O,1,GDB ChEMBL
271008,CC1NCCC(C2CC2)[NH2+]CC1C#N,0,GDB ChEMBL
397062,CCC1CC2CC(C)(CCC(C)(C)[NH2+]2)C1C,0,GDB ChEMBL
167342,C=CC1CC1C1CCCCC(C)C1,1,GDB ChEMBL
18843,N#CC1(N)C(=[NH2+])NCC(O)C1C(N)=O,0,GDB ChEMBL
129552,CCc1ccc2c(c1)CN(C)C(=[NH2+])CC(C)N2,0,GDB ChEMBL
271789,N#CC(CN)N(C(=N)N)C(=O)C[NH3+],0,GDB ChEMBL
397961,N#Cc1cncc2c1NCCS(=O)(=O)C2,1,GDB ChEMBL
236008,C[NH2+]CC1(C(=O)[O-])CCC(NCC[NH3+])C(=O)O1,0,GDB ChEMBL
195295,O=C1CNC(=O)NC2CC2(O)C(O)CN1,1,GDB ChEMBL
9821,CCC1CC(C)(C(C)[NH2+]C)CCC(C)CC1C,0,GDB ChEMBL
354113,COCC(O)C([NH3+])CNCc1c(O)nnn1C,1,GDB ChEMBL
239389,C#CCCCC#Cc1ccnc(C)c1Cl,1,GDB ChEMBL
338504,CC1Cc2cc(N)c(F)cc2C(C(N)C[NH3+])O1,0,GDB ChEMBL
36062,CC(O)c1ccc(I)cc1C[NH3+],1,GDB ChEMBL
22806,C#CCNC1=C(CC(=O)[O-])C(=O)NC1,0,GDB ChEMBL
116054,[NH3+]C12CC3CC1C2OC(=O)N3,0,GDB ChEMBL
151792,CC(C)c1ccc(C(C)C)c2c1NCCN2,1,GDB ChEMBL
333677,CCC(C)NCC(=O)OC,1,GDB ChEMBL
374361,C#CCC(C#C)COCCc1ccc(Br)cc1,1,GDB ChEMBL
244601,NC(=O)NCC1CS(=O)(=O)NC(N)=N1,0,GDB ChEMBL
370374,CCC=CC(=O)C(=CC(=O)[O-])CO,1,GDB ChEMBL
76955,CCCCC1(CCC)CCC(C)CC(C)CC1,0,GDB ChEMBL
97774,CC[NH2+]CC(C)(CCOC)C(C)C[NH3+],0,GDB ChEMBL
77819,CCN1C(=O)NC2C(C[NH3+])CC21CC(N)=O,0,GDB ChEMBL
331208,[NH3+]CCN1CC2C=CC[NH2+]C2C1CC1CC1,0,GDB ChEMBL
218778,OC1C=CCCC1CC1CC1,1,GDB ChEMBL
293846,CCCC(C)c1nc(C)c(F)c2c1C(C)CC2,0,GDB ChEMBL
222600,CC(O)C1(C2(C)COC(=O)C(N)C2)CCCC1,0,GDB ChEMBL
174264,C#Cc1ccc(C#CC2=CCCC2)c(F)c1,1,GDB ChEMBL
17656,NC(=O)N1CC(C(O)CO)NC(C(=O)[O-])C1=O,0,GDB ChEMBL
186765,[NH3+]Cc1c(F)nc(C(=O)[O-])c(N2CC2)c1O,1,GDB ChEMBL
71282,CCC1CC2CCC(C)=CCCCC3C1C23,0,GDB ChEMBL
354980,CC#CC(=O)C(C)CC(CC#N)CCC,0,GDB ChEMBL
276163,O=C1CNC(=O)OCc2nc(sc2[O-])N1,0,GDB ChEMBL
361622,CC1CC(C)C(CC(C)(C)C)C1,1,GDB ChEMBL
281195,CN(C(CC#N)C(=O)[O-])S(=O)(=O)CO,0,GDB ChEMBL
201150,C=CCC=CC1CC(OC(C)=O)C1,1,GDB ChEMBL
277725,CC12CCOC1C(O)C(C[NH3+])C2,0,GDB ChEMBL
107797,[NH3+]C12CC(=O)NC(C(=O)NC1C(=O)[O-])C2O,0,GDB ChEMBL
6031,CNC(=O)NCC#CC(CS(N)(=O)=O)=N[O-],0,GDB ChEMBL
53816,CS(=O)(=O)N1CCOCC(C#N)=C1C(N)=O,0,GDB ChEMBL
277628,CCC1CCCC(C)CC(C)(C)C[NH2+]C1C,0,GDB ChEMBL
322919,O=C1COC(C2CC[NH2+]CC2)C2CCCC12,0,GDB ChEMBL
242635,CCC(=O)C(C)CN=C(NC)NC(=O)NC=O,1,GDB ChEMBL
80241,CCCCC(C)(C)CC1CC(C(F)(F)F)C1,1,GDB ChEMBL
87541,C#CCC(Nc1nc(O)cc(Cl)n1)C(C)OC,1,GDB ChEMBL
144559,CCC1CC2C3CCCC(C3)C2CC1CC,0,GDB ChEMBL
304367,O=C([O-])CC(CO)NS(=O)(=O)C1CN1,0,GDB ChEMBL
148188,CNC(CO)C(NC(N)=[NH2+])C(O)CNC(C)=O,0,GDB ChEMBL
225467,CCC1Cc2cc(no2)NC2C[NH+](C1)C2,0,GDB ChEMBL
252896,CCC1([NH3+])CCCC2NC(=O)CC=C(C)C21,0,GDB ChEMBL
336574,COc1nccc(Br)c1C=O,1,GDB ChEMBL
268165,CCOCC(CCCC1CCCO1)CC(C)C,1,GDB ChEMBL
234402,CC1CC(OC(N)=O)C(N)(C#N)CCCCO1,0,GDB ChEMBL
147223,Cc1nc(C(N)=[NH2+])cc(=N)[nH]1,0,GDB ChEMBL
245869,CC1CC=C2C1CC1C2C1c1ccccc1,0,GDB ChEMBL
169382,CC(O)C(=O)NC(=O)OC1C(N)C1(C)[NH3+],0,GDB ChEMBL
40403,CCS(=O)(=O)N1CCC(=O)CC1=NC(C)C,0,GDB ChEMBL
355166,C#Cc1c(F)cnc2c(C)c(C)cc(C#N)c12,1,GDB ChEMBL
312502,CNC(C(C)C#N)C1C[NH2+]C1,0,GDB ChEMBL
238187,COC(C)C1N(C(=N)[NH3+])C1(C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
112383,CC1C=CCCOC1C(C#N)C(N)=[NH2+],0,GDB ChEMBL
2371,[NH3+]CC1NCC1(O)C(O)C(CO)C(=O)[O-],0,GDB ChEMBL
316322,CC1=Cc2c(C)ccc(Br)c2CC1,1,GDB ChEMBL
278874,CC#CC1CCC[NH+]2CCC1C2,0,GDB ChEMBL
203165,CC1CC2CC(=O)CC[NH+](C)CC2C1C,0,GDB ChEMBL
290160,C#CCC1CCCC2=CC=CC21C,0,GDB ChEMBL
169052,CC1CCCC=CC2OC12C(N)C#N,0,GDB ChEMBL
358469,CCC(C)C(O)C1(C[NH3+])OCC2CCC1[NH2+]2,0,GDB ChEMBL
226225,CCC1CC2CCC(O)CC[NH2+]C1C2,0,GDB ChEMBL
271343,C#Cc1cc(CC)c(CC#CC)c(Cl)c1Cl,1,GDB ChEMBL
207322,C#CC(CCCC)Cc1c(C)ccc(Br)c1C,1,GDB ChEMBL
243906,NC(C[NH3+])(C[NH3+])CC(O)COCCO,0,GDB ChEMBL
119847,Cc1cc(F)cc2c1C1C3CC3CC1C2C,0,GDB ChEMBL
269360,NS(=O)(=O)C1CNC(=O)C([NH3+])C(C(=O)[O-])C1,0,GDB ChEMBL
127732,CCC(O)C(C)N(C)C(C)=O,1,GDB ChEMBL
97072,CN1CC2COC(C[NH2+]2)C1,0,GDB ChEMBL
308230,CC1CCCCC(C)(C#N)C1,1,GDB ChEMBL
274139,C[NH2+]C1CC(C)C(C)C1CO,0,GDB ChEMBL
339929,N#CCC(=O)C(O)C1(C(=O)C(N)=O)COC1,0,GDB ChEMBL
132487,CC1(C[NH3+])CNCC(N)C(=O)OCC(O)C1,0,GDB ChEMBL
2129,O=C([O-])C[NH2+]CC(CCO)S(=O)(=O)[O-],0,GDB ChEMBL
71665,NC(N)=[NH+]C1CC(C[NH3+])N2C(CO)C(O)CC12,0,GDB ChEMBL
118388,CC(C)C1CC(=O)C2(C)CC1CC2C(C)C,0,GDB ChEMBL
343251,CC#CC[NH2+]CC1(CC[NH2+]C)CC1,0,GDB ChEMBL
263206,CC1(C#N)CN1CCc1cc[nH]c(=O)c1,1,GDB ChEMBL
305555,OC1CC[NH2+]C2C3C=CC(C3)C2C1O,0,GDB ChEMBL
338329,CC12C=CCC(C1)c1ccccc1C2,0,GDB ChEMBL
92351,CC(C)CC1(CNC(=O)NC=O)CCC(C)C1,1,GDB ChEMBL
312512,COC(C)(C)CCCC(=O)C[NH2+]CC(C)CO,1,GDB ChEMBL
108717,CC(O)C1CN1C(=[NH2+])NC(=N)OCC(=O)[O-],0,GDB ChEMBL
25234,C#Cc1cc(N)c(OC)nc1O,1,GDB ChEMBL
78613,CCC1NC2C[NH2+]C(C1O)C2O,0,GDB ChEMBL
39697,CCCC1CCC2C(C)CC1C2C#N,0,GDB ChEMBL
146947,NC(=O)C1OC(=O)C(N)C(O)C2OCC(O)C12,0,GDB ChEMBL
382496,CC1CCN(c2nc(O)c(Br)c(Br)c2O)CC1,1,GDB ChEMBL
47412,Cc1ccc(N)cc(=O)c1N,1,GDB ChEMBL
255152,CC#CC(CC(C)C)C1=CCCCCCC1,0,GDB ChEMBL
169454,COC(CC(C)(C)CO)=NC(CO)C(=O)[O-],0,GDB ChEMBL
320257,COCC1([NH3+])C(O)C1CC#N,0,GDB ChEMBL
300576,CC1=CCC(C)(C)C1N(C=O)CC#N,1,GDB ChEMBL
233952,COCC1C(CC[NH3+])N=COC1CO,0,GDB ChEMBL
289423,CC(=O)N1C(C#N)C1C([NH3+])CO,0,GDB ChEMBL
195333,CCC[NH+]1C2CC(CC)C(C)C1C(CC)C2,0,GDB ChEMBL
133341,CC1(O)CC[NH+]=C(CCC(O)CO)NC1,0,GDB ChEMBL
92863,[NH3+]C1C(O)C(C(=O)[O-])C([NH2+]CCO)C1CCO,0,GDB ChEMBL
371739,[NH2+]=CN1CC2(O)CC([NH3+])C(O)C2CC1C(=O)[O-],0,GDB ChEMBL
299173,O=CC1CCC(CCO)NS(=O)(=O)CC1,0,GDB ChEMBL
68651,CC(=O)NCCC(=N)N(C=N)C=O,1,GDB ChEMBL
174022,N#CC1C(O)COC(=O)CC1(N)C(N)C[NH3+],0,GDB ChEMBL
204166,CNC(=[NH2+])CC(C#N)OC,0,GDB ChEMBL
62822,COC1C(C(C)=O)NC1C(=O)[O-],0,GDB ChEMBL
304103,CCCCC1(CC[NH3+])CC1(C)C,0,GDB ChEMBL
163426,CC1C[NH+](C)C2CCC(C)(C)C1C1CC12,0,GDB ChEMBL
112097,CCC1CCC(C)CC1C1(C)CC1,1,GDB ChEMBL
153319,Cc1cc(C[NH+](C)C)cc(C(C)(C)[NH3+])c1CO,0,GDB ChEMBL
386165,CCC1C([NH2+]C)CC(C)[NH2+]CC1(C)N,0,GDB ChEMBL
230764,O=C1NCC(O)C2[NH2+]CC12,0,GDB ChEMBL
306414,[NH3+]C(C(=O)[O-])C1(CCS(=O)(=O)[O-])CO1,0,GDB ChEMBL
26324,NC(=O)C(=O)C1CC2CC2C1O,1,GDB ChEMBL
352816,CC1CC2=CCC=CCC1C2,0,GDB ChEMBL
370358,CC[NH2+]CC1C(=O)NC(C)C2C(O)CC1C2O,0,GDB ChEMBL
50938,CC1C(C)C2CCCC1C(C)(C)C2(C)C,0,GDB ChEMBL
363147,CCC([NH3+])CCC1C2CC(C2)C(CC)[NH+]1C,0,GDB ChEMBL
157472,C#CCC1CCCC(C(C)C2CC=CC2)C1,0,GDB ChEMBL
5356,CC1C([NH+](C)C)C1C(O)(CO)C[NH+]=C(N)N,0,GDB ChEMBL
59238,NC(=[NH2+])CNCC(O)CCS(N)(=O)=O,0,GDB ChEMBL
284686,CCCOC(=O)C1(N)C(O)C1(N)C[NH3+],0,GDB ChEMBL
121459,CCC1C(C)C2C=C(C)CC1C2(C)C,0,GDB ChEMBL
17097,CNC(C#N)(CS(N)(=O)=O)C1C=CC(O)C1,0,GDB ChEMBL
378903,C[NH2+]CCC(CO)C([NH2+]C)C(C)C,0,GDB ChEMBL
35449,C[NH+]1CCN(CC2OCC2=NO)C(CO)C1,0,GDB ChEMBL
372528,C[NH+](CCC#N)C(C)(C)C1CCC1(C)C,0,GDB ChEMBL
208280,CC1(C)C(=NO)COCC1(C(N)=O)C(=O)[O-],0,GDB ChEMBL
252708,CCC(C)(CO)C(C#N)C1CC1C[NH3+],0,GDB ChEMBL
298037,C[NH2+]C(C)C(C(=O)[O-])C1(O)CC=CC1[NH3+],0,GDB ChEMBL
389665,C1=C2CCCC(CC1)Cc1ccc(cc1)C2,0,GDB ChEMBL
50224,CC1C[NH2+]C(C(N)C(=O)[O-])C(C)C1(C)O,0,GDB ChEMBL
375127,[NH3+]C(CO)C1CC(C(O)CO)S(=O)(=O)N1,0,GDB ChEMBL
194507,Fc1ccc2cc1C=CCOCC=CC2,1,GDB ChEMBL
274980,NC(=O)NC1=NCC([NH3+])C(O)C1O,0,GDB ChEMBL
181151,CC(C)C(O)C(C)CCS(=O)(=O)C(F)(F)F,1,GDB ChEMBL
62006,Cc1c(Cl)c(C(C)(C)C)cc2cccc(Cl)c12,1,GDB ChEMBL
193799,CC1CC([NH3+])(C[NH+]=C(N)N)CC1O,0,GDB ChEMBL
84527,COCCCCC1CC(OC)(C(C)[NH3+])C1,0,GDB ChEMBL
302461,CC(CO)OC(=O)n1cc(N)nc1N,1,GDB ChEMBL
320484,C#CC1C(C)C[NH+]1C1CCC([NH+](C)C)CC1,0,GDB ChEMBL
136081,C#CCCOC1(CCCC2CC2)CC1,1,GDB ChEMBL
39791,C[NH2+]CCC(O)(C=O)C(=O)NC(=N)N,0,GDB ChEMBL
109529,CC(=O)OC1(CO)C=CC2C(=O)OCC21,0,GDB ChEMBL
296377,CCC1(CC[NH3+])OC1(C[NH3+])CC(C)C(=O)[O-],0,GDB ChEMBL
291476,C[NH2+]C1CC1C(C)(CC(C)=O)CC(C)CO,0,GDB ChEMBL
39759,CCOCC1(C([NH3+])C(N)=O)CO1,0,GDB ChEMBL
251000,CCC1(C(N)=O)COCC1O,0,GDB ChEMBL
28279,C[NH2+]CC(N)C([NH3+])C1CCCC(O)C1,0,GDB ChEMBL
194465,Cn1nccc1N(C(N)=O)C(N)=O,1,GDB ChEMBL
194461,C#CC(CO)C(C)C1CC2CC(=O)CC(C2)C1,0,GDB ChEMBL
144579,C[NH2+]C1CC2C(CC1=O)N2Cc1cc[nH]n1,0,GDB ChEMBL
338898,CCC(C)C1C2CC(CC)C(C2)[NH+]1C1CC1,0,GDB ChEMBL
363795,CCC1(C(N)=O)[NH2+]CCC1(N)C(=O)NC(N)=O,0,GDB ChEMBL
135796,CCCOCC1CC(=O)OCCC[NH2+]1,0,GDB ChEMBL
81398,C#CC(CC(C)CC(C)(C)C)CC1CCCC1,1,GDB ChEMBL
215662,COC1CN2CCOCC([NH3+])C(C2)O1,0,GDB ChEMBL
312188,NC(=O)N(CC[NH3+])S(=O)(=O)CCO,0,GDB ChEMBL
350282,CC1NCC(=O)N2CC2C1OS(N)(=O)=O,0,GDB ChEMBL
281163,CNC(=O)COC(=O)Cn1nnnn1,0,GDB ChEMBL
217124,COC1OC(CC[NH3+])(CCO)C(O)C1[NH3+],0,GDB ChEMBL
230692,Cc1cc(O)cc(O)c1[NH+]=CN,0,GDB ChEMBL
62833,C[NH+](C)CC(O)C1CCC(CO)C([NH3+])C1,0,GDB ChEMBL
166423,CC1C(O)C(O)C(O)C([NH3+])C1OC(N)=O,0,GDB ChEMBL
7826,C#CC(CN(C(=N)N)C(=O)C[NH3+])C(C)C,1,GDB ChEMBL
70917,CC[NH+]1CC=CC2([NH3+])CCC2C(CO)C1,0,GDB ChEMBL
289940,COC(C)c1nc(C)c(C)s1,1,GDB ChEMBL
268155,CC#CC[NH+](C)C1CC=CC2OC2C1,0,GDB ChEMBL
189822,N#CCCCn1c(=O)oc(=N)[c-]1C=O,0,GDB ChEMBL
18316,CC(C)(O)C#CCOC1C=CCC1,1,GDB ChEMBL
81777,CC12CCCC[NH+](CCCC1)C2(C)C,0,GDB ChEMBL
204793,CCCN(C=O)C(C)=O,1,GDB ChEMBL
180001,CCC(=O)C1C2C[NH+](C)CC(C)N21,0,GDB ChEMBL
351342,COC1OC(=O)NC12C(=O)NC(CCO)C2O,0,GDB ChEMBL
132226,CC1(C)C=CC(C#N)CC([NH3+])CNS(=O)(=O)C1,0,GDB ChEMBL
97083,N=C1CCC(C[NH2+]CCO)O1,0,GDB ChEMBL
77794,CC[NH+](CC)C(C)C1C2C=CCC1[NH+](C)C2,0,GDB ChEMBL
76973,COCC1(C=O)CCCC(O)CC(N)=[NH+]1,0,GDB ChEMBL
330029,CC(C)[NH2+]CC1N=CNC1=O,0,GDB ChEMBL
274593,CC1C(C)C2[NH2+]C1C2C(=O)[O-],0,GDB ChEMBL
45955,Cc1ccc(C)c(N(C)C2(C)CCCC2)c1N,1,GDB ChEMBL
217066,CC(C)CC1C[NH2+]C2C=CC1C2,0,GDB ChEMBL
177334,COC1CC(C(N)=O)CNS1(=O)=O,0,GDB ChEMBL
31312,CCC1(O)C[NH+]2CC1CC2C(O)C[NH3+],0,GDB ChEMBL
26379,CC(C[NH3+])(CC#N)CC(F)(F)F,0,GDB ChEMBL
291869,NC(=O)C(N)(C[NH3+])C(O)CC([NH3+])C(=O)[O-],0,GDB ChEMBL
175585,COC(N)=[NH+]C(CC(N)=O)CC(=O)CO,0,GDB ChEMBL
53070,CCCCCC1CC(C)(C)C(CCC)C1CC,0,GDB ChEMBL
199468,CC1(O)CC2CC3[NH2+]CC(O2)C31,0,GDB ChEMBL
270998,CC1NC(=O)C2CC1CC1CN12,0,GDB ChEMBL
171284,C#CCCC(C=O)C(C)CC(C)(C)C,1,GDB ChEMBL
330530,C#CC(OC)(C(N)=O)C(=O)[O-],0,GDB ChEMBL
288708,NC(=[NH2+])c1nc(O)cn1CCCC[NH2+]CCO,0,GDB ChEMBL
258739,Cc1c(O)c(N)cc(C(C)C)c1Br,1,GDB ChEMBL
41317,O=C1NC2C3C4C(CCCN14)NS(=O)(=O)C23,0,GDB ChEMBL
98560,CC[NH2+]CC1(N)CC(C)[NH+](CC)CC1N,0,GDB ChEMBL
202474,COc1cc(Cl)cc2ncc(C=O)c(C)c12,1,GDB ChEMBL
377022,N=C1C(C(=O)[O-])NC(=O)C2N1CC2(N)CO,0,GDB ChEMBL
320776,CC1CC2OC(C1)C2C(NCC[NH3+])C(N)=[NH2+],0,GDB ChEMBL
76792,CNC(=O)C(C[NH3+])C(C#N)NC(N)=O,1,GDB ChEMBL
234973,CCC(=O)NCC#Cc1cc([O-])sn1,0,GDB ChEMBL
170452,COC(C)C1CC(C#N)C2C[NH+](C)CCC2O1,0,GDB ChEMBL
41126,CCC(=O)C1CCO1,1,GDB ChEMBL
302484,C[NH+]=C1NCC(C(O)CC[NH3+])N1,0,GDB ChEMBL
100739,C#CCC1CCCC1(CC)C(C)C(F)(F)F,0,GDB ChEMBL
84585,Nc1ncc2c(n1)C(O)CO2,1,GDB ChEMBL
263196,C#CCCCOC1(C#N)C[N-]C(=O)C1CC#N,0,GDB ChEMBL
130883,C#CC1CC(C)CC1C1(C)CCCCC1CC,0,GDB ChEMBL
157380,C[NH2+]C1CC2C(C)C(OC)C3N2C3(CO)C1,0,GDB ChEMBL
115572,CCCC1CC(C(C)O)C2(C1)C(C)C2C,0,GDB ChEMBL
81586,CCC1COCC2=CCC(C)C(C[NH3+])C2O1,0,GDB ChEMBL
142544,CCCc1cccc(C[NH3+])n(CC)c(C)cn1,0,GDB ChEMBL
235945,O=C(CC1OCC2NC21)OCCO,0,GDB ChEMBL
337783,C[NH2+]C1CC(C)(C2CCC(=O)N2C(=N)N)C1,0,GDB ChEMBL
126580,CCC(C)C1C(C)C2(CO)CCC[NH+]12,0,GDB ChEMBL
336582,C[NH2+]CCCCc1nsc([O-])c1C(C)C,0,GDB ChEMBL
207713,COC12CCC3C(C)CCCC3(C)C1C2,0,GDB ChEMBL
170081,CC(C)(O)C[NH+]=C(N)CO,0,GDB ChEMBL
299762,C#CC=CCC1CCC(C)(C)CC1,1,GDB ChEMBL
310981,CCC1C(COC)C[NH+]2CC12,0,GDB ChEMBL
149315,NC1C(O)C1[NH+]1CCC(CO)C1,0,GDB ChEMBL
115724,CCOC(C)C1C(C[NH3+])C1C1C[NH2+]1,0,GDB ChEMBL
7366,CC1=CC(C)CCCc2cc(C)cc(Cl)c21,0,GDB ChEMBL
77486,COC1CC2CC(=O)N(C(=N)N)C21,0,GDB ChEMBL
375483,CCC#CC(CO)[NH+]=C(N)N,0,GDB ChEMBL
110253,CC1c2c(F)cccc2C2CC3CC3(C)C12,0,GDB ChEMBL
387321,C1CC2CC3(CC3)CC1O2,1,GDB ChEMBL
97225,CCCCN=CNC=O,1,GDB ChEMBL
255386,CC1C2c3cc(Br)ccc3CC2CCC1(C)C,0,GDB ChEMBL
142368,Cc1c2c(cn1C)C(=O)C1C(C)(C)C1(O)C2,0,GDB ChEMBL
308325,NC(=O)NCC1OCCC2CC1(N)C[NH2+]2,0,GDB ChEMBL
247192,CCc1nc(C)oc1C1COC1,0,GDB ChEMBL
29618,CCCC1(O)C2CC(OC)OC1C(=O)N2,0,GDB ChEMBL
79597,C[NH+]=C(N)OCCS(N)(=O)=O,0,GDB ChEMBL
341288,COC1OC(C(=O)[O-])C(O)C1[NH+]=C(N)N,0,GDB ChEMBL
208419,CCCC1CC2CC(C)C(CC)C(C)C(C1)C2,0,GDB ChEMBL
76999,CC(C)C1CC2=C(C(=O)CC2)C1CO,0,GDB ChEMBL
152576,COCC(=CCCO)CCC(N)=[NH2+],0,GDB ChEMBL
309646,NC12CNC1C(CO)OC2=O,0,GDB ChEMBL
396714,CCCC1C=CC(C(C)(C)C(C)C)C1C,0,GDB ChEMBL
24041,N#CC12OC1C(O)C([NH3+])C2CC[NH3+],0,GDB ChEMBL
391632,COC(=O)N1CC(C#CCC(N)=O)C1,1,GDB ChEMBL
111625,O=C1CC2CCCCC(C3CCCO3)=C2N1,0,GDB ChEMBL
114411,CCn1ccc(C#N)c1[N+](=O)[O-],1,GDB ChEMBL
4818,NC(=[NH2+])N(C=CCO)CC(O)C[NH3+],0,GDB ChEMBL
141786,COCC(OC)C1(CC(C)[NH3+])CC(C)(O)C[NH2+]1,0,GDB ChEMBL
318570,C=CC(C[NH3+])CC(C)CCC(C)[NH3+],0,GDB ChEMBL
383983,CC#CC1CCCCCC(C(F)(F)F)C1,0,GDB ChEMBL
184288,CC(C)C1[NH2+]CCC2CC21,0,GDB ChEMBL
139835,C#CCN1CC#CCOCCC1=[NH2+],0,GDB ChEMBL
386579,O=C1[N-]S(=O)(=O)CC(C(O)CO)O1,0,GDB ChEMBL
337439,CC(=O)N1C2C(C)OC3C(C2O)C31,0,GDB ChEMBL
40271,C[NH+]=C(C)NC(C#N)C(C[NH3+])C(=O)[O-],0,GDB ChEMBL
221920,C[NH2+]Cc1cccc(C(=O)c2ccsc2)c1,1,GDB ChEMBL
12740,O=C1NC2C(C1O)C21COC1,0,GDB ChEMBL
171896,CC[NH+]1CCC2C(C#N)CC2C(CO)C1C,0,GDB ChEMBL
31031,COC(CC#N)C1NC(C)=CC(=O)C1O,0,GDB ChEMBL
129615,CNC(=O)C1(C(N)=[NH2+])OCC(C(C)O)C1[NH2+]C,0,GDB ChEMBL
334077,Cc1cncn1CC1CCCC1C,1,GDB ChEMBL
64356,CCC[NH+]1C2CCC(O)C1C2,0,GDB ChEMBL
97210,C[NH2+]C(C=NO)C(CN(C)C(=O)OC)OC,0,GDB ChEMBL
22847,CC1Oc2ccc(Cl)cc2C1CCN(C)C=O,1,GDB ChEMBL
355140,Cc1c(C)c(I)c(CCC[NH3+])c(C(N)=O)c1C,0,GDB ChEMBL
129400,CCC1CC2OCC3(CC3)CC2NCC1=O,0,GDB ChEMBL
259336,CC1C2C[NH2+]C1(c1cccs1)CC2(C[NH3+])CO,0,GDB ChEMBL
341846,CC(=O)NCC1(N)C([NH3+])CC1O,0,GDB ChEMBL
302649,CN1C(=N)C(CO)N(C)S(=O)(=O)CC1=O,1,GDB ChEMBL
51335,CC1=CC(=O)CC(CO)CC1,1,GDB ChEMBL
16516,CC(=O)NCc1nn[nH]c1C,1,GDB ChEMBL
358488,CCC12CC1C(=O)OC(C)C(CO)O2,0,GDB ChEMBL
160018,COC(=O)NC1=NCC2CC12C,0,GDB ChEMBL
368208,[NH3+]C12C=C(CCCCC1)CC2CC(=O)[O-],0,GDB ChEMBL
377316,CC1C([NH3+])C2C(=O)OC1C2O,0,GDB ChEMBL
195449,CC1[NH2+]CC2CC(C)(O)C(C#N)(C=O)C21,0,GDB ChEMBL
296639,OCCCCCC(O)c1cnn[nH]1,1,GDB ChEMBL
343999,CNc1cc2c(Br)c(C#N)cnc2n1C(C)C,1,GDB ChEMBL
366020,CCC1C2C3CCCCC(C)(C3)C1(C)C[NH+]2C,0,GDB ChEMBL
263220,[NH3+]C1CC([NH3+])C2OCC1NC2=O,0,GDB ChEMBL
236711,CC#CCC1CC2C[NH2+]C1C2C(C)(C)O,0,GDB ChEMBL
207936,CC(C#N)C1C=CCC1[NH2+]CC1CC1,0,GDB ChEMBL
2151,COCC1OCC(=N)OCC1N(C=O)CCO,0,GDB ChEMBL
398992,CN(C(N)=[NH2+])C1=[NH+]CCN1,0,GDB ChEMBL
228304,CC1(O)C2CCCC1c1c(I)cccc1C2,1,GDB ChEMBL
197246,C#CC1N(C)C(C)C(=O)CCC1(C)OCC,0,GDB ChEMBL
68608,C[NH2+]CC1OC(=O)C2C3CC=CC32NC1C,0,GDB ChEMBL
94877,Cc1cc(I)c2cnc(O)c(N)c2c1,1,GDB ChEMBL
17605,CC(O)C1(C([NH3+])Cn2cccc2)CC1,1,GDB ChEMBL
307977,COC1CCCCC(=O)C1CCC(=O)C(C)C,1,GDB ChEMBL
374318,NC(=O)C(=O)C1CC(=O)NC=N1,0,GDB ChEMBL
355133,CNC(=O)c1c(CCCCC=O)oc(C)c1[O-],0,GDB ChEMBL
384281,C#CCC(C)(C)CC1C(C[NH2+]C)C1(C)C,0,GDB ChEMBL
385921,NC(N)=[NH+]C1C2NC(=O)C1(N)C2C(=O)[O-],0,GDB ChEMBL
236592,CCCN(C(C)=O)C1CC2CC2(O)C1=O,1,GDB ChEMBL
107668,CCC(C)c1c(I)ccc2c1CCC2,1,GDB ChEMBL
104603,CCC(C)C1(C)C(C)CCCC1C,0,GDB ChEMBL
263509,CCC(O)CC(C)C(C)=O,1,GDB ChEMBL
122976,O=C([O-])C(O)C12C[NH2+]CCC(O)C1OC2,0,GDB ChEMBL
334765,Cc1cc(=O)cnc(O)cc(O)ccn1,0,GDB ChEMBL
270068,CCNC(=[NH+]CCC=O)C(C(N)=O)C(C)C,0,GDB ChEMBL
136689,[NH3+]CC1C=CCC(CNC=O)C1,0,GDB ChEMBL
259532,CC1(O)CNC(=O)CC(N)C1[NH3+],0,GDB ChEMBL
286851,CNC1(C#N)CCC(c2ccoc2)OC1=O,0,GDB ChEMBL
346971,CCC1OC2CC(CO)[NH2+]C2CCN(C)C1=O,0,GDB ChEMBL
173684,CCCCC(CCCc1ncc[nH]1)C(O)C=O,1,GDB ChEMBL
341849,O=C([O-])COC12CCC(CC1)CO2,1,GDB ChEMBL
387272,CS(=O)(=O)NC=NC1CCC(O)CC1(N)C#N,0,GDB ChEMBL
378578,CN1C(=O)NC(CO)C1CCNC=O,0,GDB ChEMBL
126388,CC1[NH2+]CC(O)CC2CN2C1=O,0,GDB ChEMBL
345409,NC(=[NH2+])c1cc(CNCC=O)noc1=O,0,GDB ChEMBL
375433,COC12C(C)NC(=O)NCC1(O)C2C,0,GDB ChEMBL
116006,CC1C2CCCC(C)(C2)C1C(C)(C)C(=O)[O-],0,GDB ChEMBL
389479,COC(=O)C(C)(O)C(O)C([NH3+])CO,0,GDB ChEMBL
396705,CC1(C[NH3+])C=CCC([NH3+])CC(O)C(C#N)C1,0,GDB ChEMBL
148818,CC#CC1=CCCC1CC(C)CC,1,GDB ChEMBL
102111,CCc1[nH+]c(C)c(CC(C)C#N)c(N)c1NC,0,GDB ChEMBL
372669,OC12CC(C1)C1[NH2+]CCOC12,0,GDB ChEMBL
284757,COC12C(=O)NC(CS(N)(=O)=O)C1(O)C2C,0,GDB ChEMBL
216550,CC(O)C(C)CCCCCC(C)(C)[NH3+],0,GDB ChEMBL
99454,CCC1CC2(C(C)[NH2+]C)CC(O)C1C(=O)O2,0,GDB ChEMBL
72382,C[NH2+]C1CC[NH2+]C2COC1C(CC[NH3+])(OC)C2,0,GDB ChEMBL
251870,FC(F)(F)CC1CCCCOC1,1,GDB ChEMBL
47717,CC([NH3+])C(C)C1C[NH+]2CCC(CO)(C1)C2,0,GDB ChEMBL
210732,CCOc1cc(CC=O)c(O)cc(N)c1=O,1,GDB ChEMBL
358318,C=C1C(C)C(O)(C[NH3+])C1CCOC,0,GDB ChEMBL
298947,CC(C)C(=N)N(C)C(=O)CO,1,GDB ChEMBL
19618,C=CC(CC)N1CC(CO)[NH+]=C1N,0,GDB ChEMBL
269166,CN(CCS(N)(=O)=O)C(=[NH2+])CO,0,GDB ChEMBL
70996,C#CCC1CCCC2C(C(C)C=O)CCC[NH+]12,0,GDB ChEMBL
330925,CNC(=O)NCC1=CC(=N)NC1=O,1,GDB ChEMBL
59165,COC12CC1C(C)C=CC21C[NH2+]CCC1O,0,GDB ChEMBL
256163,CC1C=C2CCC(CC(C)(C)C)C2(C)C1,0,GDB ChEMBL
348862,CCC[NH+]1CC(O)C(C)[NH2+]CC2(C)CC12,0,GDB ChEMBL
80276,CC(=NO)C(CNC(N)=[NH2+])C1OCCO1,0,GDB ChEMBL
235165,Cc1ccc(O)cc(N)c2c(cc1[NH3+])CCO2,0,GDB ChEMBL
210391,CCCC(C)CN(C)c1ccc(O)cc1,1,GDB ChEMBL
312256,CCc1[nH]c(C[NH2+]C)cc1C(O)C(=O)[O-],0,GDB ChEMBL
81615,CC12CCc3cccc(F)c3OC(C1)C2,1,GDB ChEMBL
203631,Fc1ccc2c(c1)C1CC3CC(C3)C2C1,1,GDB ChEMBL
83086,CCN(C)C(C)(C#N)C1CCCCC1,1,GDB ChEMBL
348823,CCCCCC(C)[NH+]1C(C)C=CC12CC2,0,GDB ChEMBL
343950,CC1CC(C)C23C[NH2+]CC12C3,0,GDB ChEMBL
103498,COC1C2CCC(C2)C12CC(C#N)CC[NH+]2C,0,GDB ChEMBL
170437,CC=C(C(=CC(=O)[O-])CC)C1CC1,0,GDB ChEMBL
135851,CC1COCC2(C)C[NH+](C)C(C)C12,0,GDB ChEMBL
382981,CC(O)CCC1(C(N)=O)CCCOCC1,1,GDB ChEMBL
257487,CC1(O)CC2CCOCCOCOC1C(=O)O2,0,GDB ChEMBL
84509,CCN1CC(=O)CCC2Cc3cscc3C21,0,GDB ChEMBL
40303,CCCCCC12CC(O)(C1)C2,1,GDB ChEMBL
40423,COC(=O)C1(C#N)CN2CCC2C1(C)O,0,GDB ChEMBL
71993,CC1C2CCC([NH+]3CCC3)C(C2)C1C,0,GDB ChEMBL
173935,CCOCCC1(C)CC1,1,GDB ChEMBL
218302,CC1(C)C2C[NH+]3CC2CCCC31,0,GDB ChEMBL
195239,CC1CC([NH3+])C23OC(=O)NC(=O)C2C13,0,GDB ChEMBL
180004,CCCCC1CC2C(O)C2(C)C1,1,GDB ChEMBL
34735,NCC1[NH+]=C(N)C(C(N)=O)C(O)C1O,0,GDB ChEMBL
391428,CC1=CCCCC2CC=C(CC2)C(C)CC1,0,GDB ChEMBL
197079,C=CCOC(=O)C(=C)C#CC(C)C,1,GDB ChEMBL
34711,CNC(C(O)C#N)C(O)C(C)O,1,GDB ChEMBL
119923,CCC1=CC=C(C)CCC(C)(C[NH+](C)C)C1,0,GDB ChEMBL
118738,CCOC1(C[NH+](C)C)C2CC(C2)OC1(C)C,0,GDB ChEMBL
163410,COC(CO)(CCO)C(C)(N)C(N)C#N,0,GDB ChEMBL
298073,N#CC(CN)OCC([NH3+])COC1CCOC1,0,GDB ChEMBL
204620,Nc1c(C2CC2)ccc(CCO)c1F,1,GDB ChEMBL
332469,CCCCN1Cc2[nH]nc(NC=O)c2NC1=O,1,GDB ChEMBL
173138,C#CC1(CC(C)=O)CC(C)[NH2+]C2CCCC2C1,0,GDB ChEMBL
311368,CCC12CCN(C)C1=[NH+]CCC(CO)C2=O,0,GDB ChEMBL
1945,NC(=O)OC1C(N)C1([NH3+])CCO,0,GDB ChEMBL
304079,CC[NH+]1CCC2CC1C1(C)C(O)C21,0,GDB ChEMBL
182225,C[NH2+]C(C)CNc1n[nH]c2c(C[NH3+])c[nH]c12,0,GDB ChEMBL
260543,Cc1cc2c(c(C#CC3CC3)n1)C(=O)CC2,1,GDB ChEMBL
119402,CCCCC12CCCCC=CC1CC1CC12,0,GDB ChEMBL
314931,C[NH2+]C1CC2CCC1CC(C)C2,0,GDB ChEMBL
303903,CCN=C(CCO)NC(N)=O,1,GDB ChEMBL
70111,C=CC(CCC)(CCCC)C1CC1,1,GDB ChEMBL
277108,COC12COC1C([NH3+])C(=O)N(C)C2C,0,GDB ChEMBL
185277,CC(C1CCS(=O)(=O)C1)N1C(C)C2OC2C1C,1,GDB ChEMBL
112497,CC(CC(C)(C)C)[NH2+]CCC(C)C1CC1,0,GDB ChEMBL
190038,N#CCCCC(O)C(CC=O)NC=O,0,GDB ChEMBL
81046,CC1=CCC(C)CC(C)CCCCC1,0,GDB ChEMBL
191549,NC(=O)C(C([NH3+])CO)C(O)CO,0,GDB ChEMBL
317310,NC(=[NH2+])C1CC([NH2+]CCO)C1N,0,GDB ChEMBL
61982,CCCCC1CC=CC(C)C=C1C,1,GDB ChEMBL
337056,CCC(C)(C)CCCC1=CCC(C(C)C)C1,1,GDB ChEMBL
164659,CCOCC1CNC(=N)NS(=O)(=O)C1,0,GDB ChEMBL
391762,CC1CC2C(C)C1[NH+](C)CC1CC12CO,0,GDB ChEMBL
129586,CC12CCC(C(F)(F)F)C1CC1CCCC2C1,0,GDB ChEMBL
358198,CC1Cc2cc(C#N)cnc2C(O)C2CC12,0,GDB ChEMBL
118670,CCc1ccc(NC)c(C[NH+]=C(N)CN)c1N,0,GDB ChEMBL
216189,CN1C(=N)C2CS(=O)(=O)NC(CC2[NH3+])C1=O,0,GDB ChEMBL
61488,C#CCOCCC1(CC(=C)C)CC1,1,GDB ChEMBL
323992,C#CC(C#CCC)=CCCC(C)C,1,GDB ChEMBL
360986,Cc1cc(C)c2c(c1)C1C(C2)C1(C)C,1,GDB ChEMBL
223501,CCC1CCC(C)c2ccccc2C1C(C)C,0,GDB ChEMBL
201396,C#CC(C=CC=CC(C)CC)OC,1,GDB ChEMBL
191679,C[NH2+]C1C=CC(C)C(CC(C)(C)[NH3+])C1,0,GDB ChEMBL
147206,COC(=O)NC(C)C(C#N)C=O,1,GDB ChEMBL
34823,[NH3+]CCCNC(=O)OCC[NH3+],0,GDB ChEMBL
230398,CCNC(=O)COC12CC1CCC2[NH3+],0,GDB ChEMBL
307547,CCCC1C2OC3C[NH2+]C(C3)C12,0,GDB ChEMBL
322943,CC1(C)CCOC2CC[NH2+]CC21,0,GDB ChEMBL
309651,C[NH2+]C1C(C(=O)[O-])NC1(CO)CNC(N)=O,0,GDB ChEMBL
240494,CCC1C(CC[NH3+])C2CCC12,0,GDB ChEMBL
183443,N#CC1CC(C(N)=O)N2CCC1(O)C2CC[NH3+],0,GDB ChEMBL
383744,Cc1c(Br)c(CC(C)(C)C)cc(Br)c1C(C)C,1,GDB ChEMBL
203570,CNCC(C#N)C(C)[NH+]=CN,0,GDB ChEMBL
382195,CCC1OC(=N)CNC1C(N)=O,0,GDB ChEMBL
111505,CC12COCC3CC4NC(=O)CCCC41N32,0,GDB ChEMBL
27821,C[NH2+]CC(C=O)(C(C)=O)C(=O)CO,0,GDB ChEMBL
170433,COC(CO)CC1(C)CC=CC1C(C)=O,0,GDB ChEMBL
62814,C#CC(CC)(C[NH3+])CC(C)O,0,GDB ChEMBL
370282,[NH3+]CCC1[NH2+]CC2C=CCCC21,0,GDB ChEMBL
44560,COC1COC(=O)C1C(N)=O,1,GDB ChEMBL
380244,CNC(=O)C(N)C1NC(N)=[NH+]C1CO,0,GDB ChEMBL
141740,CC(C)Cc1nc2ccc3c(C#N)ccc1n23,1,GDB ChEMBL
157373,Cc1cc(=O)ncc(=N)n1CC1CNC(=O)C1,0,GDB ChEMBL
30329,C[NH2+]CCCNC1COC1=N,0,GDB ChEMBL
49175,CCCC#CC[NH+]1CC2(OC)CC1C2,0,GDB ChEMBL
274400,CC(CO)C(C)(CCC=O)C[NH+](C)C,0,GDB ChEMBL
351132,CC(C)CC(C)N(C)CC#N,1,GDB ChEMBL
201341,COC(C)c1nc(CO)cs1,1,GDB ChEMBL
392242,CC[NH2+]Cc1cnc(C)nc1OC(N)=[NH2+],0,GDB ChEMBL
348586,NS(=O)(=O)CC1OCC([NH3+])C(=O)N2CC12,0,GDB ChEMBL
205799,CCC12CCCCCC(C)(C)C1C(C)CCC2,0,GDB ChEMBL
53724,CC(C[NH3+])C1(C)C(C)N1C(=O)C([NH3+])CO,0,GDB ChEMBL
71280,[NH3+]C12CCC(O)C1CNC(=O)C21CO1,0,GDB ChEMBL
95472,C#Cc1ccc(Cl)cc1-c1cc(C)ncc1Cl,1,GDB ChEMBL
11739,CCOC(=O)C1(N)C(O)C1NC(N)=[NH2+],0,GDB ChEMBL
315147,CC(CO)OC(C)C(C)CO,1,GDB ChEMBL
77801,N=CN1C(=O)CC(O)CC1=O,1,GDB ChEMBL
271101,CCS(=O)(=O)NC1(C#N)CC1C,1,GDB ChEMBL
29459,CC1CC([NH3+])CNC2C(=O)NC1C2(C)O,0,GDB ChEMBL
389097,CC1OC2[C-](C#N)C(=O)OCC(N)=NC2C1O,0,GDB ChEMBL
93774,O=C1CCOC(COCCCCO)O1,1,GDB ChEMBL
261349,N#CC(C#CC[NH3+])CCNC=O,0,GDB ChEMBL
191390,CCN1CCC=CCCC1=O,1,GDB ChEMBL
184501,N=COc1c(C[NH3+])nc(N)nc1NC(=O)C[NH3+],0,GDB ChEMBL
83125,CCN1CC2OC(C)C1C2=O,1,GDB ChEMBL
136072,CC(OCC(N)=[NH2+])C(O)CCS(N)(=O)=O,0,GDB ChEMBL
143798,CN(C)C1(C(=O)[O-])CNC1=[NH2+],0,GDB ChEMBL
174152,C#CCC1CC1(C)c1cc(C)ccc1F,1,GDB ChEMBL
122989,CC1[NH2+]C23CC[NH+](CC1C2)C3,0,GDB ChEMBL
26934,COCCC(CO)OC1C2CNC(N)=[NH+]C21,0,GDB ChEMBL
352702,CC1(CO)C=CCC2(CCCO2)C1,0,GDB ChEMBL
126627,CCC1(CO)NC(=O)COC2CC21,0,GDB ChEMBL
156215,C#Cc1cccc(C)c1C,1,GDB ChEMBL
279120,[NH3+]CC(OC(=O)NCC(=O)[O-])C(O)CO,0,GDB ChEMBL
275630,C#Cc1c(C)ccc2n[nH]c(=NCC)cc12,0,GDB ChEMBL
147846,COC1CC2[NH2+]CC1(O)CC2C,0,GDB ChEMBL
5290,CC1=C(CO)CCc2ccc(C)cc21,1,GDB ChEMBL
22818,CS(=O)(=O)NCC1=CC=C(C(=O)[O-])COC1,0,GDB ChEMBL
72440,CCCC1CCC2C=CC(CC)C2C1,0,GDB ChEMBL
365709,C#CC(=N)N(CCC(C)=O)C(N)=[NH+]C,0,GDB ChEMBL
38746,C#Cc1csc(CC(C)(C)Cc2ccoc2)n1,1,GDB ChEMBL
95190,CCC1(C)CC2CCC1C(C(C)C[NH3+])C2,0,GDB ChEMBL
161010,CNC1C(=O)NCCC2[NH2+]CC1(O)C([NH3+])C2O,0,GDB ChEMBL
182126,CC(=O)COC(=O)CC(O)(CO)C(=O)[O-],0,GDB ChEMBL
175565,C[NH2+]C1CC(O)CCC(C)[NH+]=C1N,0,GDB ChEMBL
215821,CC1CC1C1CC1c1ccccc1,1,GDB ChEMBL
177056,CCC([NH2+]C)C(O)CCOC=NC,0,GDB ChEMBL
273838,Cc1nccsc(NC=N)nc(N)c1C(N)=O,0,GDB ChEMBL
389430,CC[NH+]1CC(CCC#N)C2CC(C)OC(C)C21,0,GDB ChEMBL
382567,CC(NS(C)(=O)=O)C1(N)COC1=O,1,GDB ChEMBL
318513,CC(O)(C(N)=O)C(C=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
36149,C#CC(O)(CCc1cc(C)cc(Br)n1)C(=O)[O-],0,GDB ChEMBL
377934,COc1c(C)ccnc1C#CCO,1,GDB ChEMBL
350692,CC(NC(=O)Nc1cncc(F)n1)C(N)C#N,1,GDB ChEMBL
318140,CCCc1ccccc1C(C)C1CCCC1,1,GDB ChEMBL
79607,N#CCN1C(=O)OCCN=C1N,1,GDB ChEMBL
260176,C#CC1=CC(=O)NCCOCC12CC2,0,GDB ChEMBL
280891,C#CCC1=[NH+]C2C[NH+](CC)CC2CN1,0,GDB ChEMBL
368426,NC(=[NH2+])CCC(N)C(CO)NC(N)=[NH2+],0,GDB ChEMBL
341182,CN1CC2(C#N)C(N)C1C(O)C2O,0,GDB ChEMBL
238196,NC(=O)c1cnc(O)cc(N)oc(CO)n1,0,GDB ChEMBL
201999,CC(C)[NH2+]CC1(n2ccnc2)C[NH2+]C1,0,GDB ChEMBL
285737,CNC(=O)c1nn(C)nc1CCC(C)O,0,GDB ChEMBL
41279,[NH2+]=C1COc2ncncc2CCN1,0,GDB ChEMBL
122849,CC1C=C(C(=O)C(C)(C)C)C2(CC2)C[NH+]1C,0,GDB ChEMBL
122670,O=COCC[NH+]1C2CC2CC2CC21,0,GDB ChEMBL
202508,CC1=CC(O)COC(C2(C#N)CNC2)C1,0,GDB ChEMBL
24003,CCC[NH+](C)CC(N)C#CCNCC#N,0,GDB ChEMBL
247569,COCc1coc(=O)c(C)c1,1,GDB ChEMBL
227561,N#CC12C[NH2+]CC1C(O)CC2(N)C(N)=O,0,GDB ChEMBL
291913,CCC1=CC(=O)C(C[NH2+]C)=CCC(C)C1,0,GDB ChEMBL
284836,COC1C(=O)OC(C(O)C(C)O)OC1C(=O)[O-],0,GDB ChEMBL
278103,NC(=[NH2+])C1CC(=O)NCC(O)C2OC12,0,GDB ChEMBL
73808,O=C1NC2CC1NS(=O)(=O)C1CN(C1)C2=O,1,GDB ChEMBL
5268,CC#CC1(OCC(F)(F)F)CCCC1CC,1,GDB ChEMBL
104380,[NH3+]CC1CC(=O)N2C(C(O)CS(=O)(=O)[O-])C12,0,GDB ChEMBL
318037,Nc1nc(O)c(CC(=O)[O-])nc1O,0,GDB ChEMBL
124257,CC1CC(O)CC23CC2NC(=O)C13,0,GDB ChEMBL
398149,[NH3+]CC1CC2CCN2C1=O,0,GDB ChEMBL
394944,CC(C)C[NH2+]CCC(O)c1ncco1,0,GDB ChEMBL
269173,CCC(C)(CC)CN=C(N)C(=O)C(C)C,0,GDB ChEMBL
344263,CCNC(=O)c1oc(N)nc1C,1,GDB ChEMBL
252338,Cc1nc(NC(C)C)c(C[NH3+])cc(=N)n1,0,GDB ChEMBL
280672,C[NH2+]C12CCCCNC1C2CC(C)(C)[NH3+],0,GDB ChEMBL
132982,COc1cc2c(cc1F)C(N)C(C#N)C2,1,GDB ChEMBL
93791,Cn1cc2nc1C([NH3+])CC1CN(C1)C(=O)N2,0,GDB ChEMBL
161772,CCc1cc(O)cc2c1CC1[NH2+]CC(C)=C21,0,GDB ChEMBL
393908,CNC(C=O)Cn1nnc(C(=O)[O-])c([O-])c1=O,0,GDB ChEMBL
383009,NC(=O)C1N(CCO)C12COC1CC12,0,GDB ChEMBL
264923,CC#CCC1=CCC(C)CC1(C)CCC,0,GDB ChEMBL
392777,CN1C(=O)C(=O)NC2C1C1CC2C(C)(O)C1,0,GDB ChEMBL
45939,C#Cc1cc2c(s1)CCC(C)C(C)C[NH+](C)C2,0,GDB ChEMBL
365776,C[NH2+]CCCc1conc1[O-],0,GDB ChEMBL
33271,CS(=O)(=O)N(CC=O)CC(O)COC=O,1,GDB ChEMBL
127883,Cc1cc(C(C)CC#N)c(C(C)C)c(Cl)c1C,1,GDB ChEMBL
255494,C[NH2+]CCC(C[NH3+])(OC)C(CO)C(N)=[NH2+],0,GDB ChEMBL
81010,CCC(=O)NC1CCC2(CN(C)C2)C1=O,0,GDB ChEMBL
25126,OCC(O)C1C[NH2+]C2CCC=CC2C1,0,GDB ChEMBL
65923,CC(C)C1[NH2+]CC2=C1CCC2CC(=O)[O-],0,GDB ChEMBL
295902,C[NH+](C)C1C2CNC(=O)C21,0,GDB ChEMBL
277793,CCCCCC(C)C(=O)OC,1,GDB ChEMBL
218299,COC(=N)N(C)C(=N)C(O)Cc1ccncc1,0,GDB ChEMBL
156191,NC(=O)CC(=O)Nc1snc2cncnc12,1,GDB ChEMBL
279229,CCCC1C(C[NH3+])N(C)CCCCN1C(C)=[NH2+],0,GDB ChEMBL
246993,C#CC1CC([NH3+])C2C(C)C(C)CCC12C,0,GDB ChEMBL
117351,O=Cc1c(CCc2ccon2)cc(O)nc1F,1,GDB ChEMBL
362046,N#CCNCCC1=CCOC1,1,GDB ChEMBL
206854,CC([NH3+])(C[NH3+])CC1C(O)CC2CCC1C2,0,GDB ChEMBL
132654,C[NH2+]Cc1nc(=O)[nH]cc1S(C)(=O)=O,0,GDB ChEMBL
251851,C#CC[NH2+]CC12CC(O)CC(C1)OC2C,0,GDB ChEMBL
334718,[NH3+]C1C(O)C(=O)NC(CC(=O)[O-])C2NC12,0,GDB ChEMBL
81406,CCOC(=N)CNC(=O)CN(C=[NH+]C)CC,0,GDB ChEMBL
136545,CC(C)c1cc(Cl)ccc1-c1ccno1,1,GDB ChEMBL
386156,CC(=[NH2+])N1CC(N)C(=O)NC2(C)CC2C1,0,GDB ChEMBL
284866,CCCc1c(C)cc(C)c2cc(Cl)c(C)cc12,1,GDB ChEMBL
141821,CCC#CC1CC[NH2+]CCC1C,0,GDB ChEMBL
34706,CC(=O)N1CC(CO)CC1C#N,1,GDB ChEMBL
175850,CN1C(=O)CCC1CNC(=O)C=O,1,GDB ChEMBL
79241,Fc1ccc(C(F)(F)F)c2c1CC=CC2,1,GDB ChEMBL
112556,C#CCCCC1(C#N)CC=CC1,1,GDB ChEMBL
225063,COCCC(=O)c1cc(Cl)c(C(N)=O)c(=O)o1,1,GDB ChEMBL
124285,COC(=N)N(CCN)C(N)=[NH2+],0,GDB ChEMBL
303317,CC(O)CC1Cc2c[nH]c(CC[NH3+])c2C1,0,GDB ChEMBL
169493,C=C(C)CC12CCCOCC(C1)C2,0,GDB ChEMBL
280465,CC([NH3+])CCC1Cc2c[nH]cc2C1,0,GDB ChEMBL
244483,O=C1NCCCC2(CO)C(O)C12O,0,GDB ChEMBL
369350,CC1CC(O)C(C)C(CC(N)=O)C1C=O,0,GDB ChEMBL
273386,C[NH+](C)CC(C(=N)OC(N)=O)C(C#N)=N[O-],0,GDB ChEMBL
199445,COC(=O)c1noc(CO)c1-n1cccn1,1,GDB ChEMBL
317145,CC1C2CC2CC(C)[NH+]2CCCC12,0,GDB ChEMBL
274252,CNC(=O)C1=CCN(C=[NH2+])CCOCCC1,0,GDB ChEMBL
391772,CCC1(C)CCOC(C)CC12CCCCCC2,0,GDB ChEMBL
305786,CC(C)(C)c1ccnc2c1CC=CCCC2,1,GDB ChEMBL
307538,CCCC1CC2C(C)C1C([NH3+])C2(C)CC,0,GDB ChEMBL
64089,O=C([O-])C1CC1C1CC=CCCC1=O,0,GDB ChEMBL
390138,CCCC(C)CC(C)C#CCCC(F)(F)F,1,GDB ChEMBL
21562,CCC(=O)C(C)Cc1cc2c(c(O)n1)NCC2,1,GDB ChEMBL
301459,Nc1ncc(CS(N)(=O)=O)cc1[N+](=O)[O-],1,GDB ChEMBL
93469,CC(C[NH3+])OC1C(O)CC(O)C1O,0,GDB ChEMBL
45729,NC1=[NH+]CC(O)COCc2cscc21,0,GDB ChEMBL
319371,C[NH+]=C1NCCC1NC(N)=O,0,GDB ChEMBL
338916,CC(=O)OC1(COC=O)CCC=C(C)C1,1,GDB ChEMBL
346826,C#CCc1c(N)cncccc(O)nc1NC,0,GDB ChEMBL
104437,CS(=O)(=O)c1nc(NC=O)ncc1C#N,1,GDB ChEMBL
136524,CCC1CC(C)C(CCC(C)CC(C)(C)C)C1,0,GDB ChEMBL
153731,CC1CC(=O)N(C)CC(C)O1,1,GDB ChEMBL
1985,CCCC(CC)(CC)C1(C)[NH2+]CC(OC)C1C,0,GDB ChEMBL
252531,C[NH2+]CCCN1CC(C)(O)C1=O,1,GDB ChEMBL
127165,CCc1c(C)cc(CN(C)CC[NH3+])c(Cl)c1N,0,GDB ChEMBL
361801,Cc1cc(C2C=CCC2)ccc1Cl,1,GDB ChEMBL
177348,CC12CC1CNC(=[NH2+])CCC([NH3+])C2O,0,GDB ChEMBL
375167,N=C1COCC2CCC(O2)C(O)C(O)C(=O)N1,0,GDB ChEMBL
238145,NC1=[NH+]CC=C(C(=O)NC2CCC2)C(O)C1,0,GDB ChEMBL
148810,CCCCC(C)C(C)C1CC1CC,1,GDB ChEMBL
153270,CC1OCC2CCOC1C2[NH3+],0,GDB ChEMBL
17457,COC1C(C#N)OC(=O)C(N)C1(CO)C(=O)[O-],0,GDB ChEMBL
362659,CCC1C(C)CC(C(N)=O)C1C,1,GDB ChEMBL
246949,CCC1CC2CCC=CC1C(C)(C)C2,0,GDB ChEMBL
284774,COC(=O)CC1CC([NH3+])(CO)C(O)C1C(=O)[O-],0,GDB ChEMBL
141908,CCC1OCC2(O)CC1[NH2+]C(C)(C)C(C)C2,0,GDB ChEMBL
386672,CCOC1C(=O)NC=NC1C[NH3+],0,GDB ChEMBL
132242,CCC1[NH2+]CC2(O)CCC1C2C(F)(F)F,0,GDB ChEMBL
201448,CCNS(=O)(=O)CC(CC(N)=[NH2+])NC,0,GDB ChEMBL
114404,CC1=CCC2COC3CCC2C1C3,0,GDB ChEMBL
112085,C=CCC1C(C)C2C(C#N)C2C1C,0,GDB ChEMBL
182243,CC1C(CO)CC2(C)CC1CCCCO2,0,GDB ChEMBL
296988,C#CC1(C(F)(F)F)CC12C(=O)NCCC2O,0,GDB ChEMBL
389363,C#CC1CCC(C)Cc2c(F)c(F)cc(C)c21,0,GDB ChEMBL
174274,CC(C)C1(C[NH3+])C2CCC1C(CO)[NH2+]2,0,GDB ChEMBL
177885,NC(=O)C1C2C[NH2+]C3C2COC31,0,GDB ChEMBL
35309,CC1=CCCOC(N)=[NH+]CCOC(=O)C1,0,GDB ChEMBL
279075,C#CC(CCCC#CC)CC(C)C,1,GDB ChEMBL
148887,CC(O)C(O)C1NS(=O)(=O)C2CC2NC1=O,0,GDB ChEMBL
348689,COC1C2CC(O)C1(C(=O)[O-])C(=N)O2,0,GDB ChEMBL
397073,NC(=[NH2+])NCC1OCCNC(=[NH2+])C(O)CC1[NH3+],0,GDB ChEMBL
334420,C[NH2+]C(C(=O)[O-])C1=C(C(C)=NO)CNC1=O,0,GDB ChEMBL
156083,C[NH+]=CNC(CC[NH3+])C(N)=O,0,GDB ChEMBL
182291,C#CC#Cc1cccc2cccc(Br)c12,1,GDB ChEMBL
305198,[NH3+]CCCOCCC(F)(F)F,1,GDB ChEMBL
338324,CCCc1ccc(I)cc1C(C)(C)CC(C)C,1,GDB ChEMBL
84898,CC(C=O)N(C(N)=O)C1COC1,1,GDB ChEMBL
157053,CC[NH2+]CCC(C)(CC(C)C)CC(C)(C)C=O,0,GDB ChEMBL
334021,C[NH2+]C(CCCOC(N)=O)C(O)CC(O)CO,0,GDB ChEMBL
100691,CC([NH3+])C1C(=N)OC(C)C1(CC[NH3+])C(N)=O,0,GDB ChEMBL
217704,CCC1C=CCC2CC2C1CC1CCCO1,0,GDB ChEMBL
173711,CCc1c(F)cc(F)cc1C1CCC1C,1,GDB ChEMBL
328944,[NH2+]=C1NC2CC=CCC(CO1)C2O,0,GDB ChEMBL
62813,CCCN1C(C)(C)CC(C)CC1(C)C(F)(F)F,0,GDB ChEMBL
277898,CC1C[NH2+]C2C(C)NC(=O)C12,0,GDB ChEMBL
337781,CC(O)CC(C(N)=O)c1cnn(C)c1,1,GDB ChEMBL
132571,NC1=NC2C(O)C(O)CC(OC(=O)N1)C2C[NH3+],0,GDB ChEMBL
337779,C#CCc1cc(Cl)cc(C(C)(CC)C(C)C)c1,1,GDB ChEMBL
156184,C[NH+]1CC(C(C)(C)C)C=CC1(C)C,0,GDB ChEMBL
378934,COCc1scnc1C(C)O,1,GDB ChEMBL
274601,CCCC(c1ccc(Br)c(C)c1)C1CCC1,1,GDB ChEMBL
87654,C[NH2+]C1CCC(=O)N(C=O)C1,1,GDB ChEMBL
202033,CCOc1c(Cl)cc(C)nc1N,1,GDB ChEMBL
323137,CCC([NH3+])C(C[NH3+])CN(CC#N)CCO,0,GDB ChEMBL
274411,CC(CCCCCC1(C)CC1)C1CC1,1,GDB ChEMBL
204346,CCC1CCC(CCC(C)C)C2CC12,0,GDB ChEMBL
36163,CC1=C(C(C)c2ccco2)C[NH2+]CC=CC1,0,GDB ChEMBL
284273,CCCCC1=CC(CC(C)(C)C)CC1,1,GDB ChEMBL
197423,COCC[NH2+]C1(C)CC(C)N(C=O)CCC1C,0,GDB ChEMBL
87008,NC(=O)c1nc(N)cc(C[NH3+])n1,0,GDB ChEMBL
111477,CC(=O)NCCc1nc(C)csc1=N,0,GDB ChEMBL
271112,CC1N=C(CC(=O)NC(=N)N)NCC1=O,0,GDB ChEMBL
39786,CC(=O)CC1OCC(C(=O)[O-])[NH2+]CC1O,1,GDB ChEMBL
382089,CC1C(=O)NC(=NCC#N)C1[NH3+],0,GDB ChEMBL
130885,O=C([O-])CN1CCC(O)CC1=O,1,GDB ChEMBL
184143,CC(N)(C(=O)NCC(=O)[O-])C(N)C[NH3+],0,GDB ChEMBL
222120,CC1CC[NH+](C2CCC2)C(CCCO)C1N,0,GDB ChEMBL
141990,CCC(=O)OC(CCC#N)=NC,1,GDB ChEMBL
161952,CC(=[NH2+])NC1=NCC(C(=O)NC(N)=O)N1,0,GDB ChEMBL
298030,COC1(c2cn(C)nn2)CNC1C=O,0,GDB ChEMBL
340499,C#CC1(Cc2cc(C)ccc2Cl)CC1,1,GDB ChEMBL
230276,CC1COC2OCCN1CC(O)C2[NH3+],0,GDB ChEMBL
95522,CC1C(C(O)C[NH3+])N1CC(N)=O,0,GDB ChEMBL
300430,CCCC#CCC[NH2+]C(C)CO,1,GDB ChEMBL
34919,CC12CCCCC1CC(N1CC1)C2O,1,GDB ChEMBL
238593,CCC(C)(O)C1CC1CC1CCC1,0,GDB ChEMBL
239095,[NH3+]CC1CCCC2=[NH+]CC(C1)N2,0,GDB ChEMBL
366741,CCCc1cc(F)cc(CCC(C)C(C)C)n1,1,GDB ChEMBL
274158,Cc1ccc2cc3nc(Cl)ccc3c(N)n12,0,GDB ChEMBL
147954,CCCCC(CC)C1(C)CCCCC1C(C)C,0,GDB ChEMBL
106640,O=C([O-])COc1csc2nncc(F)c12,1,GDB ChEMBL
308326,C[NH2+]CC1(O)C(C(N)=O)C1S(N)(=O)=O,0,GDB ChEMBL
355820,CCCC(C(F)(F)F)C(C)(CC)CCC,0,GDB ChEMBL
217334,O=CCCN(CCO)Cc1cnn[nH]1,1,GDB ChEMBL
344343,COc1cc(C)sc(C)nc(N)nc1C=O,0,GDB ChEMBL
89639,CCc1cc(C(CC)(CC)CC)cc(C)c1I,1,GDB ChEMBL
186033,C#CC1CCC(CC)(CC)CC1CC,1,GDB ChEMBL
170117,CS(=O)(=O)N1CC2OCC(O)C([NH3+])CCC21,0,GDB ChEMBL
88169,CCCC(=O)NCc1ccco1,1,GDB ChEMBL
137077,C#CC1OC(C(=O)[O-])C=C1C(C)CC,0,GDB ChEMBL
305372,CCC=C(C1CC1)C(CCO)OC,0,GDB ChEMBL
331155,NC(=O)CNC12C[NH+]=C(N)OC1C2C(=O)[O-],0,GDB ChEMBL
26415,CCC1(CC(C)C#N)CC(O)CC(C)(O)C1,0,GDB ChEMBL
380245,O=S1(=O)CCC(Nc2nc[nH]n2)C1,1,GDB ChEMBL
262276,CC(O)C#CC1CCC[NH2+]1,0,GDB ChEMBL
349462,CCC12C[NH+]3CCC(C(=O)N1)C32,0,GDB ChEMBL
387309,OCCC1(CO)COCC[NH2+]1,0,GDB ChEMBL
114763,CC1CCC2C(O)C(C#N)CNS(=O)(=O)C12,0,GDB ChEMBL
239349,CC1(c2ccc(O)cc2O)C=CC2OC21,0,GDB ChEMBL
284415,CC#Cc1ccn(C)c1CC1(C)CC(C)C1,1,GDB ChEMBL
323936,CC(O)C1CC2OC(=O)C1C(C)O2,0,GDB ChEMBL
262333,COc1cnc(NC(C)=O)ncocn1,0,GDB ChEMBL
230448,CC([NH3+])C(OC(N)=O)C1CCCC([NH3+])C1,0,GDB ChEMBL
101540,CC1CC2CC3CC[NH2+]CC32C1,0,GDB ChEMBL
84893,CC1OC(S(=O)(=O)NC(C[NH3+])C(=O)[O-])C1O,0,GDB ChEMBL
181606,N=C1NC(=O)NCC2(O)COCCC2N1,0,GDB ChEMBL
176479,CN(C=N)C(=O)NC(=O)c1ccnnc1,1,GDB ChEMBL
40411,CC(CCCC[NH3+])C(C)(C)CC1CC1O,0,GDB ChEMBL
138398,CCC1CC1CC(C)(C)[NH2+]C,0,GDB ChEMBL
203289,C1OCC2C3CC4(CC4)CC(O3)C12,0,GDB ChEMBL
129434,C=C(C)CC1C=CCCC12COC2,0,GDB ChEMBL
77759,N=C1OCC(=O)NCC1C(=O)C(N)=O,1,GDB ChEMBL
246367,CCOC(C)(CC)Cc1cncc(CO)c1Br,1,GDB ChEMBL
262536,CC1C=CC2(C1)C[NH+]1CCCC1C(C)O2,0,GDB ChEMBL
284899,CS(=O)(=O)NCC(C[NH3+])CCO,1,GDB ChEMBL
76417,COC1CC(C)[NH2+]CC2OC12,0,GDB ChEMBL
317157,CC(C)c1cnnc(CCC2CC2)c1F,1,GDB ChEMBL
140157,C[NH+]=C(NC(C)C(C)CC=O)OC1CC1,0,GDB ChEMBL
76704,COC(C)c1cc(N)c(C(C)O)cc1Cl,1,GDB ChEMBL
119872,CCC1(C)CCCC(=O)C2CN21,0,GDB ChEMBL
96076,COC1C2=CCCCNS(=O)(=O)C1CC2O,0,GDB ChEMBL
130609,CC(O)C1CC(O)CNC1=O,1,GDB ChEMBL
95181,N#CC(C(N)=[NH2+])C(O)CC[NH3+],0,GDB ChEMBL
64314,C#CC1C2C=CCC1c1c(F)cccc12,0,GDB ChEMBL
379382,CCc1c(N)cc2cn[nH]c(=NC)c2c1O,0,GDB ChEMBL
263480,CCCc1ccc(I)c(C(F)(F)F)c1N,1,GDB ChEMBL
38596,N#CC(=N)OC1C(O)C([NH3+])C(CO)C1C(N)=O,0,GDB ChEMBL
277907,CCN1CCCC2(CC2)C1=[NH2+],0,GDB ChEMBL
347950,Clc1cccc2c1CC(C1C[NH2+]C1)=CC2,0,GDB ChEMBL
179443,COCCNc1nc(N)c(C)nnc1=O,0,GDB ChEMBL
76784,C#CCC(C[NH3+])C(C)(C)NCC[NH2+]C,0,GDB ChEMBL
124759,CC[NH+]1CC2CC3(C[NH2+]CC1C3)C2,0,GDB ChEMBL
98640,CCC1CCCCC2CC=C1C=CCCC2,0,GDB ChEMBL
27019,N#CC12CNS(=O)(=O)CC1NC(=O)[N-]2,0,GDB ChEMBL
303331,CC1COCC(=O)N(CCO)C1,1,GDB ChEMBL
294222,C[NH2+]CC(CO)C(O)C([NH3+])C(C)(O)CCC#N,0,GDB ChEMBL
372514,NC(C[NH3+])C(O)C([NH3+])CC(O)C[NH3+],0,GDB ChEMBL
132426,COC(C)C1(CO)C=C(C(N)=O)CCO1,0,GDB ChEMBL
263874,COC(CO)C1CCNC(N)=[NH+]1,0,GDB ChEMBL
341302,CCC([NH3+])CC[NH+]1CC(C)C2CC1C1CC21,0,GDB ChEMBL
379153,CC1=CC(C(C)C)C2C(O)C1C(C)[NH+]2C,0,GDB ChEMBL
126364,O=C1CC2CC1NC=[NH+]CCO2,0,GDB ChEMBL
384256,CC1C#CC(=O)OCCCC1C[NH3+],0,GDB ChEMBL
148241,NC(=O)CC(O)C1(O)C2NC(=O)NC21,0,GDB ChEMBL
390142,CCOC1CC2CC3C=CC2C31,0,GDB ChEMBL
369348,CC12NC(=O)C[NH2+]CC1C2(O)CC#N,0,GDB ChEMBL
308262,NC(=[NH2+])NCC1NC(=O)CC2NC1C2=O,0,GDB ChEMBL
353555,CCC([NH+](C)C)C1(C(C)C)C2C=CC1C=C2,0,GDB ChEMBL
36064,CC1(C=O)CC(C(=O)OCCO)C1=O,1,GDB ChEMBL
47750,CC(N)C(=O)[N-]C(=O)c1nsnc1NC(N)=O,0,GDB ChEMBL
104626,CCC1CN(S(=O)(=O)C#N)CC([NH3+])C1O,0,GDB ChEMBL
186006,CN=CNC(=O)c1cscn1,1,GDB ChEMBL
263185,COCCCC(C#CCC#N)CC(C)C,1,GDB ChEMBL
216516,C[NH2+]C(C)C(C)OC(C)=O,0,GDB ChEMBL
11392,CC1([NH3+])C2C(O)COC(=O)C21CC#N,0,GDB ChEMBL
258336,CC1CCCCC=CCCC1(C)C,1,GDB ChEMBL
31343,CCC1C(CC(C)(C)C)COC1C(C)(C)CC,0,GDB ChEMBL
346561,C#CCCCN1CC(C)([NH2+]C)C1,0,GDB ChEMBL
149983,CC[NH2+]CC1=CC(C(C)(C)C)CC1,0,GDB ChEMBL
38483,CCC(O)C1([NH2+]C)CN(C(N)=O)C1C[NH3+],0,GDB ChEMBL
397952,CCc1cc(N)c(C(C)(C)CC(C)C#N)c[nH+]1,0,GDB ChEMBL
217105,COC1CN(C)C(=O)NC1(C)CO,0,GDB ChEMBL
227515,C=CC(C#N)(C=C)Cc1ccsc1,1,GDB ChEMBL
200573,CCCC12C[NH2+]CC(C[NH+](CC)C1)C2O,0,GDB ChEMBL
278014,CCCNc1nnn(CC)n1,1,GDB ChEMBL
248657,CCc1ccc(CC(C)C(C)[NH2+]C)cc1C=O,0,GDB ChEMBL
128269,CCCC1(C)C2CC=CCCC21,1,GDB ChEMBL
252645,Cc1cccc2c1NC1C=CC(C)(C)C21,0,GDB ChEMBL
195519,O=C([O-])C1CC1Oc1cc(Cl)cc(O)n1,1,GDB ChEMBL
214411,C#Cc1c(C[NH+]2CCC2)c2sccc2n1C,0,GDB ChEMBL
296409,CC(=O)NC1(C(N)=O)COC(=N)C1O,1,GDB ChEMBL
224024,NC(=O)CCC(O)C1OCOC1C[NH3+],0,GDB ChEMBL
4735,COCCC(O)c1n[nH]nc1C(=O)[O-],0,GDB ChEMBL
377320,Cc1ncn(CCCC#N)n1,1,GDB ChEMBL
386604,C#CC1COC2(C(=O)NC3CCCC32)C(C)C1,0,GDB ChEMBL
218608,[NH3+]C1CCCCC2(CCC2)OC1,0,GDB ChEMBL
20723,CC1C=CCc2c(CC3CC3)cc(Br)cc21,1,GDB ChEMBL
222069,CC([NH3+])C1C([NH3+])C2CC1C1(C)CCC[NH+](C2)C1,0,GDB ChEMBL
297287,CCc1c(N)ccc(F)c1-n1c(C)ccc1C,1,GDB ChEMBL
44090,[NH3+]C1C(C(=O)[O-])NCC2([NH3+])CC12,0,GDB ChEMBL
177268,C#CC1(C#N)CCNC(=O)COCO1,0,GDB ChEMBL
263238,CC(C)CC1CC2(CCCCCC2)C1,1,GDB ChEMBL
391646,CC(=[NH2+])N1CCCCCN=C1C(C)CC[NH3+],0,GDB ChEMBL
152071,CCC1CC2C([NH3+])C(CC1C)OC2(C)C,0,GDB ChEMBL
292528,CCc1cc(C2C[NH2+]C2)c(NC)c(F)c1O,0,GDB ChEMBL
104739,CC[NH2+]CCCCCOS(=O)(=O)NC=N,0,GDB ChEMBL
229468,C[NH2+]C1(C=O)C(CO)CCC(C)(C)C1OC,0,GDB ChEMBL
266233,CCCC(OCC)C(C)O,1,GDB ChEMBL
79270,C#CC1(C#N)CN1C(=O)NC(=O)CCO,0,GDB ChEMBL
191413,NCC1N=C(N)OCCC1[NH3+],0,GDB ChEMBL
33860,N#CCN1C2COC(=O)C21,1,GDB ChEMBL
228805,CCCCC1C([NH2+]C(C)C)C1(C)C,0,GDB ChEMBL
210202,COC(=O)N1CC(=O)CC2C=CCC21,0,GDB ChEMBL
70103,OC1C2CN3CCC([NH2+]2)C13,0,GDB ChEMBL
112632,CC1C(CO)[NH+]=C(N)C1C=O,0,GDB ChEMBL
137106,CCC1(CC(=O)[O-])[NH2+]CC1N,0,GDB ChEMBL
64290,CCC1[NH2+]CC2(C#N)CCC1OC2C,0,GDB ChEMBL
136017,C#CC(C#C)C[NH2+]C(CO)COC,0,GDB ChEMBL
288506,C#CC1CC1S(=O)(=O)NC(CO)C(=O)[O-],0,GDB ChEMBL
194757,C1C[NH+](CC2CC3CC3C2)C1,0,GDB ChEMBL
274126,CCC(C[NH3+])(CCC[NH+](C)C)C(C)NC=[NH+]C,0,GDB ChEMBL
259353,CC(=O)NC(C=O)C(C=O)CC(N)=O,1,GDB ChEMBL
318771,C#CC1([NH3+])C(C(O)C[NH2+]C)C1C(O)COC,0,GDB ChEMBL
61246,CCC1CCC2C(C)C[NH2+]C(C)C12C,0,GDB ChEMBL
155043,CCC1CCC(C(C)C)CC=C1C,1,GDB ChEMBL
66159,Cc1cc(F)cc(CC2(C)CC2)c1,1,GDB ChEMBL
70908,CCNC(=N)NS(=O)(=O)CC(N)C(=O)NC=O,1,GDB ChEMBL
77323,NC(=O)N(CCS(N)(=O)=O)C1CCC2OC21,1,GDB ChEMBL
345390,O=C1NC2COC13COC2C3O,0,GDB ChEMBL
247333,[NH3+]CC(O)C1C=CC(=O)N1,0,GDB ChEMBL
396120,C#CCC(C=C)=CCC(C)CCC,1,GDB ChEMBL
77015,CN(C(N)=[NH2+])C1C(=O)NCCC1O,0,GDB ChEMBL
254230,NC1C2C[NH2+]C1(CC(=O)[O-])C2,0,GDB ChEMBL
174212,CCC1CC(OC2CC[NH2+]C2)=NCCCC1=O,0,GDB ChEMBL
17482,CCC1C=CC[NH2+]CC2CC1(CO)C2,0,GDB ChEMBL
5856,CCOC1(CCCC(C)(C)COC)CC1,1,GDB ChEMBL
307956,CC#CC[NH+]1CCC(C)C2C(OC)C21,0,GDB ChEMBL
320419,[NH2+]=C1NCC2(C=CC(=O)O2)C(C(=O)[O-])O1,0,GDB ChEMBL
132482,CCC12CCC(C)C(C#N)CC1OC(N)=[NH+]C2,0,GDB ChEMBL
368452,COC(=O)CCCc1nn(C)c2c1C(C)CO2,0,GDB ChEMBL
372636,C[NH+]=C(N)C(CO)(C(=O)OC)C(C)C,0,GDB ChEMBL
271549,CCC1CC(C[NH+](C)C(CC)CC)C1,0,GDB ChEMBL
119409,CCC[NH2+]CC12C=CCC1C2,0,GDB ChEMBL
304630,CS(=O)(=O)NC1C([NH3+])CC2OCC21,0,GDB ChEMBL
199045,CC(CC1=Cc2ccccc2CC1)C1CC1,1,GDB ChEMBL
335523,CC1OCC2C(O)C([NH+](C)C)C(OCC[NH3+])C12,0,GDB ChEMBL
250658,CCC1C(C)N1C(=O)C(C)C[NH3+],0,GDB ChEMBL
388300,CCC1C(C)CC2CC3CCC(C)(CC3)OC21,0,GDB ChEMBL
114367,Cc1nsc(N(C=N)CCCC[NH3+])n1,0,GDB ChEMBL
58509,CC(=O)NC(=O)CCCCO,1,GDB ChEMBL
124101,CCCC1[NH+](C)CC2C(C)C21C1CO1,0,GDB ChEMBL
346972,CC1C[NH2+]C(C(O)C(N)=[NH2+])C2CC(=O)N(C)C12,0,GDB ChEMBL
41634,CC1C[NH2+]CCCC([NH3+])(CO)C(C)(CO)C1,0,GDB ChEMBL
23457,CC(C)C(C)([NH+](C)C)C(C)(C)O,0,GDB ChEMBL
230719,CCCCn1ccc2c(Br)c(CO)ncc21,1,GDB ChEMBL
397060,C[NH+]1CCNCCC(=O)NCC1,0,GDB ChEMBL
189863,CC1=CC2(C#N)CC[NH+](C)C1C2,0,GDB ChEMBL
64624,COC1C(C)C2C(O)C1CC2(O)C[NH3+],0,GDB ChEMBL
249859,CC1=CCCC(C[NH+]2CC(C)(C)C2)C=C1,0,GDB ChEMBL
240822,Cn1cnc(O)c1C(O)C[NH3+],0,GDB ChEMBL
386685,CNC(=O)C1(C)CC(CO)[NH2+]C1C(C)N,0,GDB ChEMBL
207005,CC1CC(C)(C)CC(=O)C=CCCC12CC2,0,GDB ChEMBL
6818,CC1C(O)CNC(=O)CC2CC(O)C1O2,0,GDB ChEMBL
29622,NC(=O)NC1CC=Cc2cncnc21,1,GDB ChEMBL
133051,NC1(C(=O)[O-])CN(CCO)C1=[NH2+],0,GDB ChEMBL
207658,CC1(CO)OC2COC(C2O)C1O,0,GDB ChEMBL
358112,CCCC1C(CO)OCOC1(C)C(N)C(N)=[NH2+],0,GDB ChEMBL
152573,CC1CC2OCC(O2)C1C[NH2+]C(C)(C)C,0,GDB ChEMBL
150095,CC1[NH2+]C(C)(C(C)O)C(C)C1CC(=O)[O-],0,GDB ChEMBL
33833,O=CNCC1C[NH2+]C2(CCC(=O)NC2CO)C1,0,GDB ChEMBL
150132,CC(O)C1C(=O)S(=O)(=O)CCN1C,0,GDB ChEMBL
76083,CC(CO)(C[NH+]=C(N)N)N1CC1,0,GDB ChEMBL
394310,C#CCC(C)C(CC)(OC)C1CC1,1,GDB ChEMBL
210973,C#CC12CC(C3CC3)C(=O)N1CCC2C#N,0,GDB ChEMBL
101871,C#Cc1c(Br)cc(CC[NH2+]C)c(C)c1C(N)=O,0,GDB ChEMBL
35734,CCC1CCC(C(C)C(C)C)O1,1,GDB ChEMBL
289450,CC1CCC=C(CO)C(COS(N)(=O)=O)O1,0,GDB ChEMBL
391624,O=C1NC2CC3CC3C(C1=O)C2O,0,GDB ChEMBL
26901,CC1OC(=O)[C-](C(N)=O)C1=O,0,GDB ChEMBL
37131,NC(=[NH2+])NC1C(C(=O)CO)CN2CC12,0,GDB ChEMBL
112776,CCC(CC)[NH+]=C1NC(C(F)(F)F)CN1C,0,GDB ChEMBL
156020,CC(CC(=O)[O-])c1c(C(N)=O)ncc(Cl)c1O,0,GDB ChEMBL
365826,C#CC1(C[NH3+])CCCCC(CC#N)N1C(C)=[NH2+],0,GDB ChEMBL
50281,CCC(NS(C)(=O)=O)C(=O)NC,1,GDB ChEMBL
314906,C[NH2+]CC1C(=O)OC2(C(C)O)CC([NH3+])C12,0,GDB ChEMBL
195509,O=CS(=O)(=O)NCCCCO,0,GDB ChEMBL
156095,CC12CCC(C)(CC([NH+]3CCCC3)C1)C2,0,GDB ChEMBL
337177,CCC(C)C(C)C1(C)CCC(CC(C)C)C1,0,GDB ChEMBL
251823,COC1CC2CN2CCOC1C,0,GDB ChEMBL
236601,C[NH2+]CC1C=CC(C)C(C)C1O,0,GDB ChEMBL
370386,CC1C=C2C(C)CC(C2C)[NH+](C)CC1,0,GDB ChEMBL
75458,CCC=CCCC1(C)CCCCC1,1,GDB ChEMBL
386690,C#CCC1CC2C[NH2+]C(C)CC(C(C)C)C2C1,0,GDB ChEMBL
250648,CC1=CCC2(CO)C(=O)C(C)C(CC1)N2C,0,GDB ChEMBL
297223,CCC12CC[NH+](C3CCC3)C1CCO2,0,GDB ChEMBL
184531,C[NH2+]CC(C)C#CCCNC(N)=[NH2+],0,GDB ChEMBL
383016,CCCC(C)C1CC=C2COCC21C,0,GDB ChEMBL
300252,Cc1cccn1C(C)CC1C[NH2+]C1(C)C,0,GDB ChEMBL
24032,NC1C(=O)NC2C(O)C2(O)CC1C[NH3+],0,GDB ChEMBL
298200,COc1c(O)cccc1C[NH3+],0,GDB ChEMBL
368481,CC([NH3+])c1c(NCCO)nn[nH]c1=O,0,GDB ChEMBL
115014,CCC1(C(CCC[NH3+])[NH+](C)C)CCC1O,0,GDB ChEMBL
6489,CC1CN(C(=O)CC2([NH3+])C(C)C2O)C(=O)N1,0,GDB ChEMBL
385922,C#CC(CC)CC1CC(C(C#C)C#C)[NH+](C)C1,0,GDB ChEMBL
347031,CC(O)CC(CS(N)(=O)=O)C(N)=[NH2+],0,GDB ChEMBL
197455,CCC(C)(C)Cc1cc(C=O)coc1=O,1,GDB ChEMBL
367824,N#CC1(CC(N)=O)NCC1O,0,GDB ChEMBL
138349,CC(C)CC1(c2ccccc2)CCC1,1,GDB ChEMBL
40412,C[NH2+]C1CC([NH3+])C1c1cnccn1,0,GDB ChEMBL
109578,CC[NH+]1C2CCCC(C)(CC2)C2CCC1(C)C2,0,GDB ChEMBL
366793,C[NH2+]C1CC(O)C(O)COC(=O)C(C)(C)C1=O,0,GDB ChEMBL
57317,CCCCC1(CC2(C(C)C)CC2)CC1,1,GDB ChEMBL
243368,COC(=O)c1conc1[N-]S(C)(=O)=O,0,GDB ChEMBL
9856,COCC1NC2(CC(=O)[O-])C(O)C2(O)C1[NH3+],0,GDB ChEMBL
344381,NC(=O)c1c(N2CC2)ccc(OC=O)c1O,1,GDB ChEMBL
303349,CCC(O)CC#CC(=[NH2+])NC(C)CCC[NH3+],0,GDB ChEMBL
288735,CC1C(O)CCC2([NH3+])C3NC(=O)OC1C32,0,GDB ChEMBL
188128,NC(=O)CC1NS(=O)(=O)CC12CC2C(N)=O,0,GDB ChEMBL
21749,CCOC(=O)Cc1n[nH]nc1C=O,1,GDB ChEMBL
141793,COC1CN2CCOCC12,1,GDB ChEMBL
260581,CC1CC2CC2CC(O)C(=O)C1(C)C,0,GDB ChEMBL
239339,C#CC(C)(CC)Cc1cc(C#N)cc(F)c1[O-],0,GDB ChEMBL
334570,CC1OC(=O)C(C(C#N)CO)N2CC12,0,GDB ChEMBL
371707,CC(O)C(C[NH3+])OC(C(=O)[O-])C1CO1,0,GDB ChEMBL
354472,CC1CCC2(C)CCC(C(C)[NH3+])C2C1,0,GDB ChEMBL
306347,CCC1(C)C(C)=CCCC1CC(C)=O,1,GDB ChEMBL
201162,CC1c2ccccc2C2C1[NH+]2C,0,GDB ChEMBL
93432,CC1C2C(C(=O)N1C(=N)N)N2C(N)=O,0,GDB ChEMBL
149982,CCC(C)C1CCC(C)CC2CCC(C)C[NH+]21,0,GDB ChEMBL
278159,CNC(=O)C12CC=C(CO)C(C[NH2+]1)C2,0,GDB ChEMBL
118394,C#CC1CCC(C(C)(C)CC)[NH2+]1,0,GDB ChEMBL
176496,CC1OC2CC1CC(=[NH2+])NC2CS(N)(=O)=O,0,GDB ChEMBL
363128,CC#CC1CC=CC[NH+]1CC,0,GDB ChEMBL
136442,[NH3+]C1C(O)C([NH3+])C2C1C2(O)C(=O)[O-],0,GDB ChEMBL
79571,Cc1cc(S(=O)(=O)[O-])sc1C(=O)[O-],0,GDB ChEMBL
47232,CCC(O)CC1CC(C)(C)C2C=C(C)CC12,0,GDB ChEMBL
54070,N#CCNC1CS(=O)(=O)C2C(O)C(=O)OC12,0,GDB ChEMBL
379401,Cc1c(F)c(F)c(C(C)C)c(C(C)[NH3+])c1F,0,GDB ChEMBL
177163,CC1OCCC2CC2C1=O,1,GDB ChEMBL
386184,CC1(C(NC(N)=O)C(N)=O)C([NH3+])CC1C#N,0,GDB ChEMBL
17573,CC(C[NH3+])C(N)C1(C)[NH2+]CC1C(=O)[O-],0,GDB ChEMBL
394322,Cn1cc(N)c(C#N)csccc1=O,0,GDB ChEMBL
379388,CC1=CCCCC2(CC2)CC(C)CC(C)C1,0,GDB ChEMBL
100716,CC1OC2CC2C2CNC(=O)C12,0,GDB ChEMBL
334608,CNC(=O)C(C)(C#N)C(CO)S(=O)(=O)[O-],0,GDB ChEMBL
320746,CN1C(=O)CC(=O)C1C=O,1,GDB ChEMBL
341299,C#CC(OC)C(N)C(=NC)NC(=O)C(C)CC,0,GDB ChEMBL
355303,CCCC1(C)C2CCC(O)C1C(=O)N(C)C2=N,0,GDB ChEMBL
217114,CCC1C([NH3+])C(CCO)C1O,0,GDB ChEMBL
281834,C#CC1CCC1C(C)CCCCCC,1,GDB ChEMBL
354863,CCCC1=C(CCC)CC2(CC2)C1,1,GDB ChEMBL
62599,CC1CCC2CC1CCCC21COC1,0,GDB ChEMBL
253614,Cc1nn(CC(C)CO)c2ccnnc12,1,GDB ChEMBL
333635,CC[NH+]1CC2C3CCCC(C)C3C1C2(C)CC,0,GDB ChEMBL
200946,CC1C[NH2+]CCC12CC2,0,GDB ChEMBL
169428,N#CC(N)(CN)C1C(=O)NCCCC(O)C1[NH3+],0,GDB ChEMBL
28386,C[NH2+]CC(O)COC(=O)n1cc([N+](=O)[O-])cn1,0,GDB ChEMBL
349653,OCC1C[NH2+]C1C1CC1,1,GDB ChEMBL
17458,N#CC1(C2CC2)CS(=O)(=O)[N-]C(=O)C1O,0,GDB ChEMBL
3965,CCC(=O)NC1C=CC2(CC2)C1,1,GDB ChEMBL
249438,NC(=O)C1CC(O)CCC(=O)c2c[nH]cc2O1,0,GDB ChEMBL
71979,C1=CCn2cnc3cccc(c32)C=CCC1,1,GDB ChEMBL
274262,C=CCC1CCC(C)(CCCC)C1,1,GDB ChEMBL
29238,O=C([O-])C1(O)C[NH2+]C2Cn3nncc3CCC21,0,GDB ChEMBL
228377,CC1=CCCCC2C3CC(CC3C)C2(C)C1,0,GDB ChEMBL
200611,CC1COC2C(C(=O)[O-])OC2C(=O)N1,0,GDB ChEMBL
389398,C[NH2+]C1C2COC1(CC(N)=O)C2O,0,GDB ChEMBL
92880,OCC1(O)CCOCC(O)CC2CCCC2C1,0,GDB ChEMBL
31790,CC(C)C1(C)CCCOC(C)(C)C1,0,GDB ChEMBL
330391,O=C([O-])CCNC=[NH+]Cc1c[nH]nn1,0,GDB ChEMBL
84842,CCC1(COC)CC(C)([NH3+])CC(=O)NCC1[NH3+],0,GDB ChEMBL
388426,CCC#CC(C#CC1CC1)NCC#N,1,GDB ChEMBL
76699,CC(O)(CO)C(CNC=O)NC(N)=O,0,GDB ChEMBL
190022,O=C1NC2CC2CC1OCCO,0,GDB ChEMBL
277987,CCC1Cc2occc2C(N)C1[NH3+],0,GDB ChEMBL
195230,C#Cc1cc(O)nc(OC)c1C1CC1,1,GDB ChEMBL
35669,C#CCCCC1CCCC(C)(CCCC)C1C,0,GDB ChEMBL
30376,O=C(COC1CCC1=O)NCCO,1,GDB ChEMBL
311627,COC1CNC(=O)C2(C(N)=O)CCC1C(C)[NH2+]2,0,GDB ChEMBL
278156,CC1(C[NH3+])COC(=O)N1[C-](C#N)C#N,0,GDB ChEMBL
58950,CC1C2CC(O)C1NC2C#N,0,GDB ChEMBL
375435,CC(C#N)=CC(C[NH+](C)C)C(C)[NH3+],0,GDB ChEMBL
301384,CC(C)[NH+]1CCN(C(N)=O)C=CC2CC2C1,0,GDB ChEMBL
345375,N#CC1CNC(C(N)=O)C2OC12,0,GDB ChEMBL
233943,[NH2+]=C1CCCn2ccnc2CNCC(=O)CN1,0,GDB ChEMBL
176528,[NH3+]C12CC1CC(O)CNC2=O,0,GDB ChEMBL
11417,COCC1(CCCCC#CC(C)(C)C)CN1,1,GDB ChEMBL
393947,CC1OC(CC#N)C(=O)OCC1CO,1,GDB ChEMBL
280020,[NH3+]C1CC(CO)NC2CS(=O)(=O)NC12,0,GDB ChEMBL
311652,Cc1cc2c(C)n(C)nc2c(C[NH3+])c1F,1,GDB ChEMBL
84462,CC1CC(OS(N)(=O)=O)C(=O)O1,1,GDB ChEMBL
350693,CCC(C)CCCC1CC2(C)CCC1C2,1,GDB ChEMBL
337127,CC1C[NH2+]C2CCC(O)C2C1O,0,GDB ChEMBL
94610,CC[NH+]1CCC#CC=Cc2cc(cs2)CC1,0,GDB ChEMBL
280335,CC1NC(=O)OC2COC(OCC1[NH3+])C2O,0,GDB ChEMBL
140826,CC1C2C[NH2+]C(C1C(N)=O)C2S(C)(=O)=O,0,GDB ChEMBL
130391,CCCCOc1scc(N)c1CC(C)(C)C,0,GDB ChEMBL
195435,CC(C)C1CCC2C([NH+]3CCCC3C)C12C,0,GDB ChEMBL
47742,C[NH+]1CC2=CC=CC(=O)C(C)(C)C2C1,0,GDB ChEMBL
176411,COC1c2c(Cl)cc(O)nc2CC1C,1,GDB ChEMBL
284839,CCC1C2C3CCCC(C[NH+]1C)C32,0,GDB ChEMBL
362655,CC(O)C(C[NH3+])C1(CCO)OCC(=O)O1,0,GDB ChEMBL
358637,CC1CN1C(=O)C1(C(N)=O)CC1,1,GDB ChEMBL
203131,NC(=[NH2+])S(=O)(=O)[N-]C(=O)CC[NH3+],0,GDB ChEMBL
159999,C[NH2+]C1CC2CC(C1)C(C)(C1CC1C)C2,0,GDB ChEMBL
209700,C#CC1CCNc2noc(n2)CNC(=O)CO1,1,GDB ChEMBL
89078,C#CC1([NH2+]CC)C=CC(=O)CCC1CO,0,GDB ChEMBL
133959,COC(C=O)C(=O)NC(=O)C(C)C,1,GDB ChEMBL
89697,O=CCC(=O)c1cccn1CCO,1,GDB ChEMBL
267386,CC1=CCOC2C(CO)CC([NH3+])C12,0,GDB ChEMBL
288459,CC(C)CCCC1CCC=CCCCCC1,1,GDB ChEMBL
106647,CCCCC1(C2CC2)CCCO1,1,GDB ChEMBL
391798,CCC1(C)CC(C)COC1=O,1,GDB ChEMBL
18651,CN1C(=O)CCNC(=[NH2+])C1(C)C(=O)[O-],0,GDB ChEMBL
337837,CC(C([NH3+])CO)C1CC1(C#N)C[NH3+],0,GDB ChEMBL
24295,CCN1C(C)(C)C1(C)C[NH2+]CC(N)=O,0,GDB ChEMBL
133156,C=C1C(C[NH2+]C)C(CO)N1C(C)=[NH2+],0,GDB ChEMBL
252559,[NH3+]Cc1ccc(=O)ccn1,0,GDB ChEMBL
366773,CC1OC(=O)C(O)C2(C)CC12,1,GDB ChEMBL
807,[NH3+]CC1CN2CC3(C1)CC([NH3+])C2C3,0,GDB ChEMBL
221121,CC1=CCC2CC2C2CC2CCCC1,0,GDB ChEMBL
362234,CC1CC(O)C2CCC1C2,1,GDB ChEMBL
354124,NC(=O)C12CCC(NCC([NH3+])C1)C(=O)N2,0,GDB ChEMBL
304449,CN(C)Cc1c(C=O)cnc(F)c1C=O,1,GDB ChEMBL
202809,CN1CC(=O)C2C(=O)OC(=N)C1C2[NH2+]CCO,0,GDB ChEMBL
47719,CC(C)(Oc1cccc(I)c1)C1CCC1,1,GDB ChEMBL
98639,N#CC1C(O)C=C2C[NH2+]CCC21,0,GDB ChEMBL
76359,CC1=CC(C#CC[NH2+]C(C)C)CNC1=O,0,GDB ChEMBL
392509,CC(=O)Nc1c([O-])nsc1C(C[NH3+])C(=O)[O-],0,GDB ChEMBL
181600,CCCC(C)OCC(C)(OC)C(C)C,1,GDB ChEMBL
9756,N=C1NC(=O)NCC2C(O)CC([NH3+])C2O1,0,GDB ChEMBL
115146,CC1C(O)C1(O)CC(N)=O,0,GDB ChEMBL
40008,CN1CC2(CC(O)C1=O)C1CC[NH2+]C12C,0,GDB ChEMBL
23580,CC(=O)OC12C=CCN(CC1)C2C[NH3+],0,GDB ChEMBL
239137,CN1CC2NC(=O)C([NH3+])C(O)C21,0,GDB ChEMBL
355835,C#CC(O)(CC[NH2+]C)C1C[NH+]=C(N)C1,0,GDB ChEMBL
33830,CCCC1=CC(CC)COCC1,0,GDB ChEMBL
642,C#CC(CO)C1CC(C(F)(F)F)CC(C)(C)C1,0,GDB ChEMBL
15569,CCN1C(=O)CC23C(O)C=CC2([NH3+])CC13,0,GDB ChEMBL
171311,CCC12CCc3ccc(F)c(F)c3C1C2,0,GDB ChEMBL
66674,CC1OC(=O)C2(O)C1NC(CO)CC2(C)[NH3+],0,GDB ChEMBL
33160,CNc1ncnc(O)c(N)nc(OC)nc1C,0,GDB ChEMBL
144591,CCNC1CNC(=[NH2+])COC1=O,0,GDB ChEMBL
226215,CCC1=CCC(=O)OC1,1,GDB ChEMBL
305568,CCCS(=O)(=O)c1nc[nH]c(=O)c1OC,1,GDB ChEMBL
315241,CC1(C2CC(CN)[NH2+]C2C2CO2)CCCC1,0,GDB ChEMBL
215379,C[NH2+]C(C(=O)C(C)C)C1(C)CC=CC1,0,GDB ChEMBL
155142,C#CC1CC2CCCC(C)[NH+]2C1,0,GDB ChEMBL
177079,CC(N)=[NH+]CC1CCC(C)CC1,0,GDB ChEMBL
101043,CCC1CCCCc2c(cncc2[N+](=O)[O-])N1,1,GDB ChEMBL
202014,COCCC1C[NH2+]C2CC12C=O,0,GDB ChEMBL
282234,CC1(C)CC(=O)C(NCC(N)=O)C(=O)OCO1,1,GDB ChEMBL
127737,CCCCc1ccncc1Br,1,GDB ChEMBL
152570,CCC1CCC2(C3CCCC2C2CC23)[NH+]1C,0,GDB ChEMBL
258315,CCC(O)CC(C)CC[NH2+]CCO,0,GDB ChEMBL
54068,CCC#CC(O)CC(C)CC,1,GDB ChEMBL
173980,CC#CC[NH+]1CC=CC1C1CC1,0,GDB ChEMBL
369850,CC(=O)N1CC2([NH3+])CC1C1(C)CC21,0,GDB ChEMBL
99823,CCC1CCOCC2C=CCC21,0,GDB ChEMBL
342343,CCCOCC1(C(N)=O)CC1,1,GDB ChEMBL
47239,CC(CC#CC1CCCC1)CC1CC1,1,GDB ChEMBL
369329,C[NH2+]C1C(C)C(=[NH2+])N(CCO)C1C=O,0,GDB ChEMBL
118673,C#CC1(c2c(F)cc(C)cc2C(C)C)CC1,1,GDB ChEMBL
192600,C#CC1C[NH+](C)C2C3C=CCCCC3CC12,0,GDB ChEMBL
235958,CCC1(CC)CCCC(C(C)(C)CC(C)C)C1,0,GDB ChEMBL
361817,[NH3+]CCn1nnc(C(O)C(=O)[O-])n1,0,GDB ChEMBL
41059,CC(O)CC1C(C)OC(CO)C1[NH3+],0,GDB ChEMBL
203300,CC1CC2([NH2+]C3CC3)CC(=O)OC(C)C1C2,0,GDB ChEMBL
103466,CC1CCC2C(C[NH2+]C2C)CO1,0,GDB ChEMBL
130619,CC1(C(N)=O)C([NH3+])C12OCCC2O,0,GDB ChEMBL
109211,C[NH2+]Cc1cc(=O)c(C)nn1C,0,GDB ChEMBL
135388,CCCC1CC2CCC1C1(C)CCCCC21,0,GDB ChEMBL
63095,NS(=O)(=O)CC12CC1([NH3+])C(O)CNC2=O,0,GDB ChEMBL
122693,CCCC(COC)NC=[NH2+],0,GDB ChEMBL
321849,C[NH+]1CCOC2C[NH2+]CCC1C2,0,GDB ChEMBL
77075,N#CCCN(C=[NH2+])CCC[NH+]=C(N)N,0,GDB ChEMBL
136112,CCC12CCC1(C)[NH+](C)CC(C(N)=O)O2,0,GDB ChEMBL
279297,COC(C)CCCNc1cc(C)[nH+]c(C)c1Br,0,GDB ChEMBL
117391,C#Cc1c(O)c(NCC)c(C)c(C)c1Br,1,GDB ChEMBL
38757,CNc1nc(C2CC2O)cs1,1,GDB ChEMBL
27773,CCCC(=O)Nc1cccc(C)occ(C)c1,0,GDB ChEMBL
326466,CNc1nc(F)cc(C)c1C1CCC1,1,GDB ChEMBL
341157,O=c1cccncc(CC2CCCC2)occ1,0,GDB ChEMBL
311004,CCc1c(C)cc(C(=[NH2+])NC)c(Br)c1CC=O,0,GDB ChEMBL
305155,CCN(C)C1=CC(=O)NC(=N)CC(C)C1O,1,GDB ChEMBL
289834,CC12CCC3CCc4c(Br)cccc4C1C32,0,GDB ChEMBL
280278,C#CC1=CCC(C)C(C(C)C)[NH+](C2CC2)C1,0,GDB ChEMBL
203332,CCCOCC1C(=O)[C-](C=O)N2CC12,0,GDB ChEMBL
148333,COC(=O)C(CC=O)OC(C)CO,1,GDB ChEMBL
28200,CC[NH+](C)C1C2OC(C)C1C2(C)C,0,GDB ChEMBL
17534,C#CC(C)C1COC(N)=N1,1,GDB ChEMBL
387299,COC1CC(C2CC2)C(C)(O)C1,1,GDB ChEMBL
316314,CC(CCS(N)(=O)=O)C1([NH+](C)C)CC1,0,GDB ChEMBL
138370,CCOCCC(NC(N)=[NH+]C)=[NH+]CCO,0,GDB ChEMBL
315193,CC1C(C([NH3+])C(=O)[O-])N1S(C)(=O)=O,0,GDB ChEMBL
247639,CCCC1CCOCCC12CC2,1,GDB ChEMBL
197032,Cc1ccnccc2c(c(N)c1C)COC2C,0,GDB ChEMBL
191331,C[NH+]1CC2(CC2)CC2C(C[NH3+])C21,0,GDB ChEMBL
157037,CCC([NH3+])C(O)C1CN1,0,GDB ChEMBL
274397,C#CC(OC(C)C[NH2+]C)C1CCC(CC)C1C,0,GDB ChEMBL
148381,N#CCNCCOCC(O)S(N)(=O)=O,0,GDB ChEMBL
370281,N#CCNC(C#N)CC#N,1,GDB ChEMBL
391619,Ic1ccccc1CCC1=CC=CCCC1,1,GDB ChEMBL
160335,C=CC1C2(C#N)CC1(CO)C(=O)[N-]2,0,GDB ChEMBL
309202,COCCCC[NH+](C)Cc1ccsc1,0,GDB ChEMBL
379840,CC(=O)CC(O)C([NH2+]C(C)C)C(=O)C(C)(C)O,0,GDB ChEMBL
307934,CC1CC(=O)OC2C3CC3[NH2+]CC2(C)C1,0,GDB ChEMBL
277415,CC(CO)C1CCC2(C)NC(=O)C1C2C,0,GDB ChEMBL
367772,CCC1C2C=CC1C1CCC2C1CC,0,GDB ChEMBL
175511,N#CC1(CCOCc2cnc[nH]2)CCCC1,1,GDB ChEMBL
152608,CC1CC(C)(C2CC(=O)CCC[NH2+]2)C1,0,GDB ChEMBL
142561,CCCC12CC(C)CC(C1)C1(C)CCCC1C2,0,GDB ChEMBL
387288,N=c1ncn(C2CC2)cc1C(N)=O,1,GDB ChEMBL
17096,CC1=NC(C(=[NH2+])N(C)CCO)C(=O)N1C(=N)N,0,GDB ChEMBL
68518,CC(C)c1cc(C(C)C(C)C(C)C)c(Br)cn1,1,GDB ChEMBL
102164,CCN1C(CC(N)=O)C(=N)OS1(=O)=O,0,GDB ChEMBL
45026,CS(=O)(=O)NCC(=O)C(=O)CO,1,GDB ChEMBL
262295,C#CCC(C)(C)[NH2+]Cc1ccccc1C,0,GDB ChEMBL
338129,C=CC(COC)(OC)C(CC)[NH2+]C,0,GDB ChEMBL
172737,COCC12CC(C1)C(C[NH3+])CCC(C)(O)C2,0,GDB ChEMBL
341337,CC1(C)CC(O)CCC2(CC2)N(CC#N)C1,1,GDB ChEMBL
308281,CNC(=O)C(=O)C1CC1c1nn[n-]n1,0,GDB ChEMBL
141952,CS(=O)(=O)[N-]C(=O)c1cc([O-])[nH]n1,0,GDB ChEMBL
143844,NC(=[NH2+])OC(CC[NH3+])c1nccnc1N,0,GDB ChEMBL
29006,CC1CC(C)C2C1C1CCC2C12CC2,0,GDB ChEMBL
204421,C#CCC(C)Cc1c(CC)ccc2c1CCC2,1,GDB ChEMBL
124147,CC(O)C([NH3+])CNC(=[NH2+])S(=O)(=O)[O-],0,GDB ChEMBL
337377,CCC(=N)N(C=O)C(C)C(O)CC#N,1,GDB ChEMBL
193230,CCC1NC(C#N)(C(N)=O)CC(C)OC1=O,0,GDB ChEMBL
200578,CC1NC(C=O)C2(CO)[NH2+]CCCOC(C)C12,0,GDB ChEMBL
398888,CC([NH3+])C(CO)C1(C)CCC(CC[NH+](C)C)[NH2+]1,0,GDB ChEMBL
225463,[NH3+]CC(=O)NCCC([NH3+])C(O)C(O)(C[NH3+])C[NH3+],0,GDB ChEMBL
350299,CC(C(N)=O)C([NH3+])C1(C)OC1C(=O)[O-],0,GDB ChEMBL
251937,CCCC1(C)C2CC(CC(C)C)C(O)C21,1,GDB ChEMBL
64631,CC(CC(=O)[O-])C1(C)CC=C(C[NH3+])CC1[NH3+],0,GDB ChEMBL
288501,CC1C(O)C2NC(=O)CC2(CO)C1(C)[NH3+],0,GDB ChEMBL
317977,CC(C)(CCC=O)NC(=O)C(=O)CCCO,1,GDB ChEMBL
59602,CC1C=CC2CC(C)CCCCC(C1)C2,0,GDB ChEMBL
310271,[O-]c1cc(C2NC3CC2OC(CO)C3O)on1,0,GDB ChEMBL
181166,COCCOC(C)C(C1C[NH2+]1)C(C)(C)C,0,GDB ChEMBL
140132,N#CC12C(N)C[NH2+]C1C2CC(N)=O,0,GDB ChEMBL
84952,[NH2+]=C1NCC(C2NC(=O)C(C(O)C[NH3+])C2O)O1,0,GDB ChEMBL
274882,CCOC1CC1C(C)C(CC)C(C)C,0,GDB ChEMBL
354469,CC1(CO)CC2OC(=O)OC2C1CC[NH3+],0,GDB ChEMBL
232094,CC12CCCC1C1CC([NH3+])CC([NH3+])C2C1,0,GDB ChEMBL
40388,CCC(CC)(CC1CCCC(C)C1)C(C)C[NH3+],0,GDB ChEMBL
34904,CC1NC(C([NH3+])CS(N)(=O)=O)C(O)C1C#N,0,GDB ChEMBL
286890,CCC1C=CCCCC1C(C)C(CC)CC,0,GDB ChEMBL
61766,O=S1(=O)C=CCCCCOCC1,0,GDB ChEMBL
250597,CC1=CC(=O)N(C(=N)N)CCCC1(O)C#N,1,GDB ChEMBL
177829,C[NH+]=C(N)NC1(CO)CC(OC)C1,0,GDB ChEMBL
101027,C#CC([NH2+]CC(C)(C)C)C(C)C=C,0,GDB ChEMBL
200733,NC(=O)N1CC([NH3+])C(O)C1C(=O)[O-],1,GDB ChEMBL
81081,CCC[NH2+]C1C(O)C(=O)N2C(C=O)C12,0,GDB ChEMBL
387274,CC12CC(C[NH3+])OCCC([NH3+])C(O)C1N2,0,GDB ChEMBL
12872,CCCCCCC12CCC1[NH2+]2,0,GDB ChEMBL
112507,CCCCCC1C=CCC=C(CC)C1,1,GDB ChEMBL
375847,CC1OCC2CCC=C2C1(C)C,0,GDB ChEMBL
177187,C#CCC1([NH3+])CCCOCOCCCC[NH2+]C1,0,GDB ChEMBL
41321,CC12CCN(CCO)C1C2([NH3+])COC(N)=O,0,GDB ChEMBL
203548,NC(=O)C[NH2+]C1CC(OC(N)=O)C1O,0,GDB ChEMBL
311356,C#CCCCC1C=C(CC)C[NH+]1C,0,GDB ChEMBL
218803,COc1cc(C)[nH+]c(N)c(C)c1=N,0,GDB ChEMBL
335478,C#CC(C(=O)[O-])C(F)(F)F,0,GDB ChEMBL
44651,CCC1(C)CCC(CCC(F)(F)F)=CC1C,0,GDB ChEMBL
86692,CC1(O)CC2CC3C1N3CC(=O)N2,0,GDB ChEMBL
350903,C=CCNC(=O)C1=C(C#N)CCC1,1,GDB ChEMBL
87708,CC(O)C([NH3+])C12CC(=O)NC(CC1C)C2,0,GDB ChEMBL
42258,CCCc1[nH]c2c3c(c(F)cc2c1C)CCO3,1,GDB ChEMBL
347884,CC12CC=CCOC(CCC1)C2,1,GDB ChEMBL
389614,CN1CCCC23C(OCC2C3[NH3+])OC(=O)C1,0,GDB ChEMBL
37656,CC1C=CCC(CC2CC2)=CCCC1,1,GDB ChEMBL
300545,CCNC1C(C#N)C1NC(N)=[NH2+],0,GDB ChEMBL
236742,C#CC1CCCCCOCC12CC2,1,GDB ChEMBL
179184,COCC[NH2+]CC1(C2CCOC2)CC1,0,GDB ChEMBL
240812,CC1N(C(N)=[NH2+])C1(C)C(N)=O,0,GDB ChEMBL
121983,CC1C2OC(CC2C2C[NH2+]2)C1C(=O)[O-],0,GDB ChEMBL
42565,N=C1C(O)C(=O)OCCN1C(N)=[NH2+],0,GDB ChEMBL
263271,C#Cc1c(O)cc(C#N)c(N)c1I,1,GDB ChEMBL
247330,CCCCC1C(OC)C12C=CC=C2,1,GDB ChEMBL
41596,CC(C)[NH+]1CC=CCC(C)(C)C1,0,GDB ChEMBL
117455,CC(C)OC1CCc2c(F)cccc21,1,GDB ChEMBL
277438,Cc1nncc(C#CCC(=O)N2CC2)n1,1,GDB ChEMBL
185337,C[NH2+]Cc1cc(C#N)c(F)c(O)n1,0,GDB ChEMBL
71243,O=C([O-])c1c(I)cccc1C1COC=N1,1,GDB ChEMBL
358582,NCC(=O)OC1CC1[NH+]=C(N)N,0,GDB ChEMBL
162531,Nc1nc(NC2CC2)ccc1Cl,1,GDB ChEMBL
372691,C#CCC(C)CC1CC=CCC(C)C1,0,GDB ChEMBL
252041,C#CCC#Cc1c[nH]nc1CC(C)C,1,GDB ChEMBL
379243,CC([NH3+])C(C#N)C1NCC([NH3+])C1O,0,GDB ChEMBL
124760,C[NH+](C)C1C2CC2CC2CC21,0,GDB ChEMBL
40447,O=C1CCC2=CCC3(c4ccccc4)C1C23,0,GDB ChEMBL
305560,COCC(OC)C(C)(C)[NH3+],1,GDB ChEMBL
281968,CC1CC(=O)Nc2[nH+]ccc(N)c2O1,0,GDB ChEMBL
280797,COC(=N)NC(=N)OCC(O)C[NH3+],0,GDB ChEMBL
338990,O=C(C#CCO)NC1CC1,1,GDB ChEMBL
289810,CC1(NC(N)=[NH2+])COC(=O)C1,0,GDB ChEMBL
115438,O=CN1CC(OCC2CC2)C1=O,1,GDB ChEMBL
106611,C#CC(CC(CC)CC=O)[NH2+]CCCO,0,GDB ChEMBL
98616,CC1NC(=O)C(CO)OC1S(N)(=O)=O,0,GDB ChEMBL
225331,CC1=CC2CCCC2OCC1,1,GDB ChEMBL
76383,CC(C)(C)C1(O)C=CCOC1CCO,0,GDB ChEMBL
37164,NC(=O)Nc1ccnc(Br)c1C1(O)CCC1,1,GDB ChEMBL
315218,O=S(=O)([O-])CC#CCc1ccc(Cl)cn1,0,GDB ChEMBL
325733,CC1c2cccc3c2N2C(C=CNC3=O)C12,0,GDB ChEMBL
152598,COCC(C)(C)C1(C)CCC1,1,GDB ChEMBL
5875,NC(=O)C1C#CCCCC(O)C=C1,0,GDB ChEMBL
263263,CCCCC(NC(CC)C(C)(C)CCO)=[NH+]C,0,GDB ChEMBL
152484,CC(=O)c1cc2c(C)ccc(C)c2c(C)c1Br,1,GDB ChEMBL
204394,CCC1C(C)C(C(C)C)CC(C)(C)CC1(C)C,0,GDB ChEMBL
251861,COC(=O)NC1(C)C=CCC1,1,GDB ChEMBL
204413,CC(C)CCC(C(=O)[O-])[NH+]1CC=CC1,1,GDB ChEMBL
284266,CC1N=C(N(CCO)C(=O)CO)NC(=O)C1O,1,GDB ChEMBL
803,CC1C(C(N)=[NH2+])OC(=O)NC(C=O)C(O)C1O,0,GDB ChEMBL
161369,NC(=[NH2+])C1(O)CNC(=O)COCC1=O,0,GDB ChEMBL
274206,C#CC1C2CC([NH3+])C1[NH2+]C2CO,0,GDB ChEMBL
244632,CCC1(C[NH3+])CC2(C)CCN2C1=O,0,GDB ChEMBL
50898,C[NH2+]C1C(O)C2OC2C1C(N)=O,0,GDB ChEMBL
301407,Cc1cc(N)c(C2CC(C[NH+](C)C)C2)[nH]1,0,GDB ChEMBL
193281,CCC(CO)[NH2+]CC1(N)C[NH2+]CC1N,0,GDB ChEMBL
337368,CCCCC(CC(C)CC)CC(C)(O)CO,0,GDB ChEMBL
284861,[NH3+]C1CC2OC2C(C(=O)[O-])C1,1,GDB ChEMBL
192570,COC1C2NCC(=O)CC21C#N,0,GDB ChEMBL
352818,CC(C)C12CC(CC1(C)C)c1cc(F)ccc12,0,GDB ChEMBL
49170,C#CCCCCC(N)=O,1,GDB ChEMBL
334413,C[NH2+]C1C=C(C)C([NH3+])CCCC1C,0,GDB ChEMBL
112499,[NH3+]C1C(=O)N(CC2CN2)CC1O,1,GDB ChEMBL
125641,COC(=O)N1C(CO)C1CC=O,1,GDB ChEMBL
47533,CC(=O)N1CCC(=O)C2CC2NC1=N,1,GDB ChEMBL
181133,CC1NC(=O)NC(C(=O)[O-])C([NH3+])C(N)C1[NH3+],0,GDB ChEMBL
92843,C#Cc1ncc(NC(N)=[NH2+])c(COC)n1,0,GDB ChEMBL
389045,NC1=[NH+]C2C(=CC(C(=O)[O-])C2O)N1,0,GDB ChEMBL
341923,CCC1(C)C2CCC1(C)C1C(O)CCOC1C2,0,GDB ChEMBL
255109,CC(C)C[NH+](C)C1(C)CCC1O,0,GDB ChEMBL
388290,CCC(C)CCOCC1CC(=[NH2+])NC1C(C)C,0,GDB ChEMBL
8774,CN(CCN)C(=[NH2+])CCO,0,GDB ChEMBL
155781,CCCN(C=O)CC(=O)C=C(C)C,1,GDB ChEMBL
279067,C[NH2+]C(C)C1COC2C(O)COC12,0,GDB ChEMBL
319136,CC1CCC2CC3CCC[NH+]3CC(C)(O2)C1[NH3+],0,GDB ChEMBL
207926,C#CCc1ccc(Cl)c2c1CCC1C(C)C21,0,GDB ChEMBL
136436,C[NH2+]CC(O)C(C(=O)NCC=O)N(C)C(N)=[NH2+],0,GDB ChEMBL
375184,[NH3+]CC(=O)NCC(=O)OCS(=O)(=O)[O-],0,GDB ChEMBL
398764,COC1C(=O)N2CCC2C1O,1,GDB ChEMBL
221361,CC#CC1OC(CC)CC1C,0,GDB ChEMBL
174950,COCCC1=[NH+]C(C)(CN)C(O)CN1,0,GDB ChEMBL
391747,CC(C)Cc1nnc(O)c(CC[NH3+])c1N,0,GDB ChEMBL
156164,CCCC1COC2(C=C(C)CCC2)C1,0,GDB ChEMBL
281143,N#CC1COC(NCCC(O)CO)=N1,1,GDB ChEMBL
379257,COCC1(CO)C(=O)OC2C([NH+](C)C)C21,0,GDB ChEMBL
117398,O=C([O-])Cn1nc([N+](=O)[O-])c2[nH]c(=O)ccc21,1,GDB ChEMBL
207291,COC(=O)[N-]S(=O)(=O)C1NC1CC(N)=O,0,GDB ChEMBL
203423,COC12CC(C)C([NH+](C)C1)C2(CO)C(N)=O,0,GDB ChEMBL
226206,CC1=CC(=O)OC2CC2CN1,1,GDB ChEMBL
37623,CCCOc1c(C(C)CC)csc1N,1,GDB ChEMBL
54820,C[NH2+]C(C)(C)C1CC2(CCCC2)C1OC,0,GDB ChEMBL
29930,C=CC1(CC)CCC(C)C1CCC,1,GDB ChEMBL
361126,Nc1ccc(Br)c([N+](=O)[O-])c1,1,GDB ChEMBL
33219,NC(=O)NC1C(=O)NC1C(=O)C(=O)[O-],0,GDB ChEMBL
116032,C#CC12CC(C)CCCC(=O)NC(C1)C2,0,GDB ChEMBL
263493,COC1C[NH2+]CC2C(C1)C(C)C1NC21,0,GDB ChEMBL
101026,CCC1N=C(N)OC1(C)CCCOC(C)C,1,GDB ChEMBL
362804,C=CC#CCC(C)(C)C(C)CCO,1,GDB ChEMBL
189865,CC(C)C1[NH2+]CC2C(C)OC(=O)N2C1CO,0,GDB ChEMBL
150142,CC(O)C(OCCO)S(N)(=O)=O,0,GDB ChEMBL
168462,CS(=O)(=O)NCc1ocnc1C#N,1,GDB ChEMBL
230439,CCCC12CC(=O)C[NH+]1C(CC)CC2C,0,GDB ChEMBL
171885,COCC(C)(CO)OC,1,GDB ChEMBL
398763,CC1(C)C(=O)NC2(CNC(N)=[NH2+])CCC21,0,GDB ChEMBL
173683,CC1[NH2+]CCC1(O)C(=O)[O-],1,GDB ChEMBL
47247,COc1c(C)oc2cc(O)c(F)c(N)c12,1,GDB ChEMBL
204560,N#CC(=O)C1C(O)C(O)C(CO)C1NC(N)=[NH2+],0,GDB ChEMBL
212573,CCC(CC(O)(C=O)C(=O)C#N)[NH2+]CC(C)O,0,GDB ChEMBL
341192,CCCC(C(=O)[O-])C(O)C1NC1S(=O)(=O)[O-],0,GDB ChEMBL
296067,CCc1c(Br)cccc1C#CC1CCC1O,1,GDB ChEMBL
323979,CC1CC2CC(C)(CS(N)(=O)=O)C(CO2)[NH2+]1,0,GDB ChEMBL
186603,CCC(=O)c1nc(N)oc1C,1,GDB ChEMBL
4730,CCCC1(C)C2CCC13C[NH2+]C3C2,0,GDB ChEMBL
341172,CCc1nc(C)c(Cl)c(=O)[nH]1,1,GDB ChEMBL
83489,[NH3+]CC1CC2OC2S(=O)(=O)NC1C(=O)[O-],0,GDB ChEMBL
222075,[NH3+]CCc1c(F)ccc2c(N3CC3)noc12,0,GDB ChEMBL
174644,C=CC1CC(OS(N)(=O)=O)C(O)C1[NH3+],0,GDB ChEMBL
217657,CCCC#Cc1c(I)ccc(C)c1N,1,GDB ChEMBL
140168,NCCNC1=[NH+]CCCC1,1,GDB ChEMBL
132230,CC1CC2(CCOC2CO)C1,0,GDB ChEMBL
172314,CCC1CC(O)C(C)CCC2C1C2(C)C,0,GDB ChEMBL
317307,CCCn1c(-c2nc(C)nc(C)n2)cnc1N,0,GDB ChEMBL
380276,CCCC(O)Cc1cc(C2CC2[NH3+])on1,0,GDB ChEMBL
118835,CCNc1ccc(Br)cc1CC,1,GDB ChEMBL
192611,CC(=O)C1(C[NH+]=C(N)N)CC1CC(C)O,0,GDB ChEMBL
47499,C#CCCOC1CC2(C)[NH2+]CCCC1C2[NH2+]C,0,GDB ChEMBL
214723,C#CC(CC#N)CC(C)O,1,GDB ChEMBL
244531,CC12C[NH2+]C(C(=O)N1)C21COC(=O)C1O,0,GDB ChEMBL
61678,CC#CCCC(=[NH2+])N(CC1CCC1)C(N)=[NH2+],0,GDB ChEMBL
281790,CCCC(CC1CO1)C(C)C,1,GDB ChEMBL
330940,CC12C=CC(=O)NCC([NH2+]1)C(O)CC2,0,GDB ChEMBL
277921,COC(C)C1(CO)C2CCCC21[NH3+],0,GDB ChEMBL
1941,C=C(CC)C1=CC(C)CCCCC1,0,GDB ChEMBL
216155,CC(CCCCC[NH+]=C1NCCN1)C(C)(C)C,0,GDB ChEMBL
222581,NC(=[NH2+])CC(=O)Nc1c(N)cc[nH]c1=[NH2+],0,GDB ChEMBL
340110,CCOC1(C)CC2CCC(C)C1C2C,1,GDB ChEMBL
129837,COC(=O)CCCOCC(N)=[NH2+],1,GDB ChEMBL
249555,CCC[NH+]=C1CC(O)C(O)C(C=O)N1,0,GDB ChEMBL
391815,C#CC1C(C)C1[NH2+]CCC(C)O,0,GDB ChEMBL
13187,CCN1C(C#N)CCC1c1cc(C)cc(Br)c1,1,GDB ChEMBL
245509,[NH3+]C1(C(=O)[O-])COCC(=O)N(C=O)C1,0,GDB ChEMBL
203539,O=CC1(C[NH+]2CCNC(=O)CC(O)C2)CC1,0,GDB ChEMBL
51065,OCCCc1c2c(cc3sccc13)C=CC2,1,GDB ChEMBL
191501,C#CC12CC(CC[NH+](CC)C1)CCC21CC1,0,GDB ChEMBL
89145,CC[NH+]1CCCC=C(C)C(C)([NH3+])C1C(=O)[O-],0,GDB ChEMBL
334791,C#Cc1cc(=O)n(C)c([O-])c1C#N,0,GDB ChEMBL
382583,C#CC(C)(C#C)c1ccc(C(C)(C)C)cc1,0,GDB ChEMBL
171838,CC1CCCC(=O)C2=CNC(C2)C1,0,GDB ChEMBL
175673,C#CC1COC(=O)CC[NH+](C)C1CO,0,GDB ChEMBL
131627,CC(=O)C(NC(N)=O)C1CC1(O)C(O)CO,0,GDB ChEMBL
5907,C[NH2+]C1C2CNC(=O)C(C[NH2+]C2)C1N,0,GDB ChEMBL
196486,CC(=O)N(C)C1C[NH2+]CC(C)(C)C2CC12C,0,GDB ChEMBL
21714,CN(C)C(=O)c1cc2c3n1CC1CC(N2)C31,0,GDB ChEMBL
292523,CC1CCOCC2C=CC([NH2+]1)C(CO)C2=O,0,GDB ChEMBL
268190,COC1CC(CO)[NH+]=C(N)NCCO1,0,GDB ChEMBL
396075,C=C1C(=O)CC(O)C1N=C(N)OC,0,GDB ChEMBL
10569,CC([NH3+])CC(NC(N)=O)C(C[NH3+])C(N)C#N,0,GDB ChEMBL
288564,COC1(C2C[NH2+]C2)CC2[NH2+]C1CC2O,0,GDB ChEMBL
286288,C[NH2+]CCCCC(C)C1C(O)C1C=O,0,GDB ChEMBL
326453,[NH3+]CC1CC([NH3+])CC12OC(=O)C(O)C2[NH3+],0,GDB ChEMBL
95597,CNC(=O)N(CC(N)=[NH2+])C(N)=O,0,GDB ChEMBL
349606,CC(=O)CN(CCC(N)=O)CC(C#N)=N[O-],0,GDB ChEMBL
1104,CC(=O)NC1CCS(=O)(=O)C1,1,GDB ChEMBL
391712,CC1CC(OCCS(C)(=O)=O)CN1C,1,GDB ChEMBL
230239,CCC1CCC(C)C2CC(C1)C(C=O)C(=O)N2,0,GDB ChEMBL
53260,CC1CCC2(C)C(C)CC1CC2O,0,GDB ChEMBL
3931,CCCC(C(=O)[O-])C(C#N)CO,0,GDB ChEMBL
352833,COC1COC2C(N)C[NH2+]C12,0,GDB ChEMBL
108114,CCC1CCC(C(=O)OC(C)C)CCC1(C)C,0,GDB ChEMBL
17576,C1=CCC(C2=CCc3ccccc32)C1,1,GDB ChEMBL
222100,CC(O)CC([NH3+])C12NCCN3C(=O)OC1C32,0,GDB ChEMBL
386469,CCC1OCC(OC)C2CN2C(CO)C1C,0,GDB ChEMBL
274909,CC1=Cc2ccc(Cl)c(Cl)c2C=CC1,1,GDB ChEMBL
284893,CCCCOCC[NH2+]C1COC1,0,GDB ChEMBL
111623,CC(CO)(C1CCC(=O)O1)N(C=N)S(C)(=O)=O,0,GDB ChEMBL
305337,CC(C)C([NH3+])C1(CCC#N)C[NH+]=C(N)N1,0,GDB ChEMBL
195246,CC([NH3+])C[NH+]=CNCC(N)C(O)CCO,0,GDB ChEMBL
20743,C#CCC([NH3+])C(N)CC[NH3+],0,GDB ChEMBL
337956,COC(C(O)CO)C1NC(=O)C(=O)N2CC12,0,GDB ChEMBL
312826,CC[NH2+]CC1=CCC(C)([NH3+])C1,0,GDB ChEMBL
160005,O=C1NC(=O)N2C(C(O)CO)C2C1O,0,GDB ChEMBL
300136,CCN1C(=[NH2+])C2C([NH2+]C)CCC1C2(C)O,0,GDB ChEMBL
333681,[NH3+]CCOCCC1[NH2+]CC1O,0,GDB ChEMBL
106615,C=C1CC[NH2+]CC=CC(O)CC1=C,0,GDB ChEMBL
292928,CNC(=O)CN1CC(=O)N(C)C(=O)C1=O,1,GDB ChEMBL
147579,CC1CC2CNC(=O)C1(C)C2O,1,GDB ChEMBL
365705,Nc1ccc(Br)cc1C([NH3+])CCO,1,GDB ChEMBL
195471,CCCN=CN(C)C(=O)OCCCOC(N)=O,1,GDB ChEMBL
115223,CCCn1nnc(C[NH3+])c1NCCC[NH3+],0,GDB ChEMBL
97732,CC1C=C2CNC(=O)N2C1C(N)=O,0,GDB ChEMBL
7811,N#CC(CN)C(C#N)(CO)C(=O)[O-],0,GDB ChEMBL
305281,CC1C=CC(C)(C)C(c2ccoc2)C(C)C1,1,GDB ChEMBL
358181,CCC1C2CCC(C2)C(CCC(F)(F)F)C1C,0,GDB ChEMBL
118389,C#CCc1cc(N)n2nnc(C(=O)[O-])cc12,0,GDB ChEMBL
378912,COCCC1(C)OCC(O)C2[NH2+]CC21,0,GDB ChEMBL
173955,CC1C[NH2+]C1C[NH+]=C(N)N,0,GDB ChEMBL
77316,CC#Cc1cc(C2CC2)c(I)cc1C,1,GDB ChEMBL
80473,CCOS(=O)(=O)NCCCNC(C)=O,0,GDB ChEMBL
350890,CCCCC(C[NH3+])CC(C)[NH2+]C,0,GDB ChEMBL
23482,C#CCC1CCC(C2CCCC2)CC1C(C)C,0,GDB ChEMBL
352167,CC(O)C1C(=O)NC2C(OC(N)=O)C21O,0,GDB ChEMBL
265308,CCC1CNC(=O)CC2(O)CC2(O)CC1O,0,GDB ChEMBL
134775,CC(O)C1CC2(CO)CC2C(C)NC(=O)N1,0,GDB ChEMBL
48041,CC1C2CC(C(=O)[O-])OC(C1O)S(=O)(=O)N2,0,GDB ChEMBL
353970,CC(=O)NC(=N)C(=O)Nc1cc(C#N)on1,1,GDB ChEMBL
40028,CC1OCC1C(C[NH3+])C(=O)[O-],0,GDB ChEMBL
260134,CC1CN(C)CC(CC23C=CC(C=C2)C3)[NH2+]1,0,GDB ChEMBL
206814,C[NH2+]C(C)C1C2CC2(O)CN1C(=O)C(C)O,0,GDB ChEMBL
132451,O=C1NC2C(O)CC3C2NS(=O)(=O)C13,0,GDB ChEMBL
261161,COC1C=CC(C)C(C=O)C1CC#N,0,GDB ChEMBL
140743,C=C(CC[NH2+]CC)C(O)CNC=O,0,GDB ChEMBL
369318,Cc1[nH]c(C(CO)CC[NH3+])c[nH+]1,0,GDB ChEMBL
151152,NC(=[NH2+])C(N)C1(C[NH3+])COC(=O)N1,0,GDB ChEMBL
235519,CC1CC=CCC(C#N)(CC(F)(F)F)C1,1,GDB ChEMBL
173885,CCC(O)CS(=O)(=O)CC#N,1,GDB ChEMBL
107031,NC(=O)C1NC(=O)NC2CC(O)C1C2=O,0,GDB ChEMBL
355195,CC1NCC([NH3+])CC2C([NH3+])C2OC1=O,0,GDB ChEMBL
6809,CC1CN(C(=O)NC(N)=[NH2+])CCCO1,0,GDB ChEMBL
147961,CCC[NH2+]CC(C)(COC)C(CO)=N[O-],0,GDB ChEMBL
314957,C#CCCCCCN(C)C(=O)c1sccc1C,1,GDB ChEMBL
308251,CCCCC(C)(C)Cn1cc(OC=O)cc1C,1,GDB ChEMBL
118409,C[NH+](C)C12CCCC(C1)C1[NH2+]CCC12,0,GDB ChEMBL
67817,COCCN=C(N)c1cnc(N)s1,1,GDB ChEMBL
321837,CC1CC2C(C(=O)[O-])C3CC2[NH+]13,0,GDB ChEMBL
297273,COC(COC(C)(C)C)C(=O)C1CN1C,1,GDB ChEMBL
67807,CC12C=CCC1C1C(CC(O)C1CC[NH3+])C2,0,GDB ChEMBL
236727,[NH3+]C1C(O)C2CC(OC(=O)N2)C(O)C1O,0,GDB ChEMBL
384276,CN1C(C#N)CCCC1Cn1c(N)ccc1N,1,GDB ChEMBL
355386,CC1=CC(=O)N(C)C(=O)C(CO)C1O,1,GDB ChEMBL
53310,CNC(=[NH2+])CCS(=O)(=O)[O-],0,GDB ChEMBL
29243,CCC1C(CC(C)C)CCC(O)CC1(C)C#N,0,GDB ChEMBL
391791,CS(=O)(=O)N(CC#N)CCOCC1CC[NH2+]1,0,GDB ChEMBL
119637,CCC(CC(C)(C)C)CC1(CC)CCCC1C,0,GDB ChEMBL
47749,CCCC1OCC2CN2C1C,1,GDB ChEMBL
28320,C#CC1C2NC(=O)C3CC(C)C(O)C312,0,GDB ChEMBL
358486,C[NH2+]CC(N)C1NS(=O)(=O)C=CN(C)C1=O,0,GDB ChEMBL
289277,C[NH+]1CC2CC1C(=O)CC1(CCC1)C2O,0,GDB ChEMBL
305964,CC(=O)CC(C)N=C1OCCc2[nH]ncc21,0,GDB ChEMBL
151060,CC(CC#N)CC12CCN=C1OCC2,0,GDB ChEMBL
179144,Cc1ccsc1C12C[NH2+]C(CO1)C2CC(C)C,0,GDB ChEMBL
13819,CC(C)CC(Nc1cn(C)nn1)C1CO1,1,GDB ChEMBL
170085,CC(C)(O)CNc1cccs1,1,GDB ChEMBL
184873,CC1CC2(C)C[NH+](C)C2C2CCCC1C2,0,GDB ChEMBL
96070,CN1CCC2([NH3+])CC(=CNC2=O)CC1=O,0,GDB ChEMBL
274946,CC(C)CCC1[NH+](C)CCC12CC(C)C2,0,GDB ChEMBL
334345,CCC1c2ncc(C(N)=O)c(=O)n2C(=O)N1C,0,GDB ChEMBL
343242,C[NH2+]CC1(O)CN(C(N)=[NH2+])C1,0,GDB ChEMBL
391687,CCCc1c(Br)cc(Br)c(CCC)c1Br,1,GDB ChEMBL
47392,N#CCC1OC(=NCc2ccco2)N2CC12,0,GDB ChEMBL
104360,COCC(C)(C)C1(C)CC(CCO)CC1=O,0,GDB ChEMBL
34156,C#CC1C(C)C2CCC(C)C2CC[NH+]1CC,0,GDB ChEMBL
99606,CC[NH2+]C1C=CC2CCC(C2)C1,0,GDB ChEMBL
245814,N#CC12CCC([NH3+])COC(CN1)C(=O)NC2=O,0,GDB ChEMBL
203851,CCCC[NH+]1CC(=CCO)C1(C)C,0,GDB ChEMBL
215816,C[NH2+]C1CC2(N)COC2C1O,0,GDB ChEMBL
98852,Cc1cn2c(n1)C1CCC2CCNC(=O)C1=O,0,GDB ChEMBL
131658,Cc1cc(F)cc(=[NH2+])[nH]1,0,GDB ChEMBL
269314,O=CN1CCCC2CC(C2)C1,1,GDB ChEMBL
132423,CCC1C2CCCC(CC#N)C12,1,GDB ChEMBL
378252,CCCCCC(C)(C)C1C[NH2+]C1,0,GDB ChEMBL
122994,CN=C1NC(=O)C(C(N)=O)CCO1,0,GDB ChEMBL
51084,O=C(c1cnc(=O)oc1)c1cccs1,0,GDB ChEMBL
152053,[NH3+]CC1CC(=O)NC1CCCS(=O)(=O)[O-],0,GDB ChEMBL
225472,C[NH+](C)CC(C)(N)C(=O)OCC1CC1,1,GDB ChEMBL
330371,CC1CC2C3C1C(C[NH+]3C)N2C,0,GDB ChEMBL
40018,CC1(C)Cc2ncc(Cl)cc2CS(=O)(=O)C1=O,0,GDB ChEMBL
33308,CCCC1C(O)CC2C3OC(=O)N1C23,0,GDB ChEMBL
308328,CC1(C[NH3+])C(O)C12N=C(N)NC2=O,0,GDB ChEMBL
70942,CC(=O)NCC([NH3+])C1CN=CN(C)C1=[NH2+],0,GDB ChEMBL
170411,COC1CCCC(C)C1C1CC1C,1,GDB ChEMBL
116642,CCC1CC2CCC(CC(O)C(C)O2)O1,1,GDB ChEMBL
149944,COCC1C([NH3+])C1CC(N)=[NH2+],0,GDB ChEMBL
332655,CCC1CCCCCC=CC[NH+]1CC,0,GDB ChEMBL
235903,CC(C[NH3+])(C[NH3+])C(=O)[O-],0,GDB ChEMBL
69641,COC12CC13C(=O)NC2C(O)C3O,0,GDB ChEMBL
39673,C[NH2+]C1C(=O)NC(C=O)CNC1C,0,GDB ChEMBL
355782,CCC1CCC2c3ccccc3C1C2CC,0,GDB ChEMBL
339006,CN(C=O)C1=CCc2c1sc1ccccc21,1,GDB ChEMBL
260571,[NH3+]CC(O)C(O)C1CCCO1,0,GDB ChEMBL
124228,C[NH2+]Cc1cnc(C[NH3+])cc1-n1ccc(N)n1,0,GDB ChEMBL
258001,CCC1CCC[NH+]2CC(C)C3CC(C)CC32C1,0,GDB ChEMBL
64655,CC([NH2+]CCO)C(C(=O)[O-])S(=O)(=O)[O-],0,GDB ChEMBL
34381,CC(C)C1=CCC(O)CC1C,1,GDB ChEMBL
176424,CCC1C(O)C(C)CCC2CCC1(C)C2,0,GDB ChEMBL
210756,NC(=[NH2+])C1OC1C(O)CC([NH3+])C(=O)[O-],0,GDB ChEMBL
179346,[NH3+]CC(C[NH3+])C(=O)NC=O,0,GDB ChEMBL
66131,C#CC1(C)CC(COC)C2CC(C)CC[NH2+]C21,0,GDB ChEMBL
186574,CC1CC=CC[NH+]2CC1C(C)([NH3+])C2,0,GDB ChEMBL
297252,Oc1ccc(Br)c(NCc2ccno2)c1,1,GDB ChEMBL
274087,C#Cc1c(CO)cc(I)c2c1OCCCN2,1,GDB ChEMBL
130242,NC(=[NH2+])CC(O)COC(C[NH3+])C(=O)[O-],0,GDB ChEMBL
286877,CC(C)CC(C=O)C(C)C(=O)N(C)CC#N,0,GDB ChEMBL
103915,N#CC(O)C(O)C(O)(CC[NH3+])C([NH3+])C(=O)[O-],0,GDB ChEMBL
25993,C#CC1CCCC=CC1C[NH3+],0,GDB ChEMBL
153706,CC[NH2+]CC1(C)CC1C[NH3+],0,GDB ChEMBL
334727,C#CC(C)(C#N)C1CCCC(CC)[NH2+]1,0,GDB ChEMBL
169451,COC1(C#N)CCC[NH+](C)CC(C)(O)C1,0,GDB ChEMBL
289794,N=c1cnc(C(=O)[O-])c(C(N)=O)[nH]1,0,GDB ChEMBL
155790,CCNC(=O)NC(=O)OCCN(C=O)C=O,1,GDB ChEMBL
201345,C#CCCC1CCC[NH+]1CC,0,GDB ChEMBL
300018,COC1OCC(CC(N)=O)OCC1C([NH3+])CO,0,GDB ChEMBL
20551,Cc1c2c(c3c4c(cccc14)CC3)C=CC2,1,GDB ChEMBL
79259,C=CC(C)=CCN(C)C(C)(C)C#N,1,GDB ChEMBL
334357,CC#CCC(CC)[NH+]1CC(C)C1,0,GDB ChEMBL
109474,Nc1c(O)nn2c(N)[nH+]cc2c1[N+](=O)[O-],0,GDB ChEMBL
170072,CC1COC(C[NH2+]C2CC2)C1,0,GDB ChEMBL
10566,CC1C(CO)C2C([NH3+])C2N1C(=O)C[NH3+],0,GDB ChEMBL
203868,[NH3+]CC1NC(=O)C1(C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
127695,NC(=[NH2+])NC1=[NH+]C(C(CO)=N[O-])CCCN1,0,GDB ChEMBL
286295,N=C(N)NC(=O)C1(N)C2CC(C[NH3+])C1N2,0,GDB ChEMBL
248846,CNC(=O)NC(=NCC1(O)C[NH2+]C1)OC,0,GDB ChEMBL
284854,OCC1CC[NH+]1C1CC1,1,GDB ChEMBL
89109,CCC1C[NH+]2C(C)CC(C)(CC)C12,0,GDB ChEMBL
181119,NC(=[NH2+])C(N)Cn1ccnc1,0,GDB ChEMBL
191349,CCC(C)CC(C(N)C#N)C(N)C[NH3+],0,GDB ChEMBL
266484,NC1CNC(=O)C1(C[NH3+])C[NH3+],0,GDB ChEMBL
102175,CC1C=CCC(C[NH3+])C(=O)OCCC1,1,GDB ChEMBL
370253,CC(=O)N1C2C(N)C([NH3+])C21,0,GDB ChEMBL
362006,CCCC(C)CCC(C)C1CC2CCCC1C2,0,GDB ChEMBL
100722,CCCCC(C)C12CCCC(C1)C(C)CC2C,0,GDB ChEMBL
61820,C#Cc1ccc(C2C=CCCC2)cc1,1,GDB ChEMBL
307978,CCC1(C)NC1Cc1cnc(COC)[nH]1,0,GDB ChEMBL
232076,COCCC1(C(=O)[O-])N=C(N)C(O)(C#N)C1O,0,GDB ChEMBL
46052,C#CCCCCC1CCC[NH+](C(C)C)C(C)C1,0,GDB ChEMBL
90341,Cc1noc(C2C(C)C3CCCC2[NH+]3C)n1,0,GDB ChEMBL
148940,COC(CO)(C(C)CC#N)C([NH3+])C(C)O,0,GDB ChEMBL
170465,C[NH2+]C(C)C([NH3+])CC1C(C)C1C(C)(C)O,0,GDB ChEMBL
81627,CC1N2C(=O)OC(C[NH3+])(C[NH3+])C12C(=O)[O-],0,GDB ChEMBL
352686,CCCC(C)CCOC1CC1,1,GDB ChEMBL
51376,CCCC1C(C)C2CC(C)[NH2+]C1C2C,0,GDB ChEMBL
203602,CC([NH3+])CCC1OCC2CC21,0,GDB ChEMBL
244463,COC1C[NH2+]C2C3CCC(C3)C12,0,GDB ChEMBL
19431,CC1(C)C=C2C=CCC=CCCCCC2C1,0,GDB ChEMBL
44319,N=C(N)N1C(=O)NC(=O)C12CC2[NH3+],0,GDB ChEMBL
46053,CC1CC(CO)N2CC2C(S(N)(=O)=O)O1,0,GDB ChEMBL
300552,CCC(C[NH3+])C1CC1C#N,0,GDB ChEMBL
304028,CCNC(CC[NH3+])C(N)=[NH2+],0,GDB ChEMBL
104698,COC1(C)CC(=O)NCC(C)O1,1,GDB ChEMBL
99111,N#CC(CO)C(N)=[NH+]C1CC1,0,GDB ChEMBL
40278,CS(=O)(=O)C(CCO)C(NC=[NH2+])C(N)=O,0,GDB ChEMBL
378595,CNC(=O)C(N=C(N)N)C(N)C#N,1,GDB ChEMBL
349950,O=C([O-])c1cc(Cn2ccc(=O)[cH-]2)cs1,0,GDB ChEMBL
201354,CC1([NH3+])CC2=C(CCCC2)C1,0,GDB ChEMBL
132974,CC1CC=C(CCO)NC(=[NH2+])OCC(=O)N1,0,GDB ChEMBL
362160,CCCC(O)C1CC=CC1CC,1,GDB ChEMBL
100998,CCC(CC)C1CC[NH2+]CCC1(C)C1CC1,0,GDB ChEMBL
44657,CC1NS(=O)(=O)CC(CO)C1=O,1,GDB ChEMBL
60668,C#CC1CC(C)CCc2c1cc(N)nc2CO,0,GDB ChEMBL
379360,COc1c(Cl)cc(O)c2c1NC1=NCCC1=C2,1,GDB ChEMBL
318071,CC(CCn1ccc(=O)[c-]1CCO)NC=O,0,GDB ChEMBL
317541,[NH3+]C1CCCCC(C2CC2)CC1,0,GDB ChEMBL
42579,Fc1cccc(CC2C[NH2+]2)c1,0,GDB ChEMBL
283952,C[NH+](C)CC1C2CC3C2CC31,0,GDB ChEMBL
352169,CC1(C)C=C(C(=O)CCC(N)=[NH2+])C(=O)OC1,0,GDB ChEMBL
319370,NC(=[NH2+])N1CCN=C1OC1(CO)CC1,0,GDB ChEMBL
308260,CCC1CC(C)(C)C2C(CO)OC(C)C12,0,GDB ChEMBL
165622,C#CCCC1NC1(C[NH2+]C)C(=O)[O-],0,GDB ChEMBL
2988,C#CC1(CC(O)CO)OC(C)C(=O)C1C(C)C,0,GDB ChEMBL
254990,Nc1ncc(C(CO)C(O)C[NH3+])s1,0,GDB ChEMBL
310285,COCc1cc(C(C)=O)oc(N)cnc(O)n1,0,GDB ChEMBL
334763,CCC1C2COC3CC(C)[NH+]1CC32,0,GDB ChEMBL
174299,CC[NH2+]C1C2C(C)CC(O)C12CC(C)C,0,GDB ChEMBL
205765,CCc1cc2c(C(C)C)c(Br)cc(CC)c2s1,1,GDB ChEMBL
197184,[NH3+]C12CNC(C(O)CO)C(C1)OC2,0,GDB ChEMBL
125664,C#CC(C)(C#C)CCC[NH2+]C1CCC1,0,GDB ChEMBL
338596,C#CCC(O)CCC1(CO)CC1,1,GDB ChEMBL
217091,Clc1cc(Cl)c2c(Cl)ccc(Cl)c2c1,1,GDB ChEMBL
166443,N#Cc1nc(CO)nc(C(=O)[O-])n1,0,GDB ChEMBL
363242,CS(=O)(=O)NC(CC(=O)[O-])C1([NH3+])CC1O,0,GDB ChEMBL
119682,CC[NH2+]C1C2OC(CCS(N)(=O)=O)C(O)C12,0,GDB ChEMBL
5289,CC1CNC(=[NH2+])CN=C(CC(=O)OCC[NH3+])N1,0,GDB ChEMBL
163421,CC1CC[NH2+]C1CNCC1CCCO1,1,GDB ChEMBL
274219,CCNC(=O)C(CC)CO,1,GDB ChEMBL
75465,CC1CNC(=O)C2C3N1C(=O)NC23C,0,GDB ChEMBL
344397,C#CCC=Cc1cccc(F)c1C,1,GDB ChEMBL
353957,CCC(=O)c1cc(C=O)c(C)c(N(C)C)c1F,1,GDB ChEMBL
191526,C[NH2+]C(C)C(C[NH3+])CC1OCC(C(=O)[O-])C1O,0,GDB ChEMBL
64618,O=C1CC2CCOC3CCCC1C23,0,GDB ChEMBL
61554,CCCCN(C(=O)CO)C(=O)c1cnc(C)o1,1,GDB ChEMBL
20537,C[NH2+]CC1C[NH+](C)CCC2(O)CC1C2,0,GDB ChEMBL
338520,C#CC1CNC(=O)CC2CC(OCC)C1O2,0,GDB ChEMBL
312222,Cc1cc(F)cc(N2CC3OC3C2)c1C,1,GDB ChEMBL
38195,CCC(C)[NH+](CCC(C)CCO)C(C)COC,0,GDB ChEMBL
275491,Cc1c[nH]cc1N(CC1CC1)C(C)C,1,GDB ChEMBL
119299,C[NH2+]C(C)(C)c1conc1N(C)CC(N)=O,0,GDB ChEMBL
9878,CC1C[NH+](C)CC2(C)C(C[NH3+])C12,0,GDB ChEMBL
162886,CC1(Cc2cc(=O)nccc2N)CCC[NH2+]C1,0,GDB ChEMBL
164683,COC(C(C)=O)c1c(N)cc(C)cc1O,1,GDB ChEMBL
257965,CNC1=[NH+]C(C#N)CC1C(=O)N1CC1,0,GDB ChEMBL
35271,C#CC(CC(N)=[NH+]CC)C(C)(C)OCC,0,GDB ChEMBL
339994,COc1cnc(C(C)CO)occ(C#N)cn1,0,GDB ChEMBL
308180,COC1CC2(C)CN(C)C(=O)C(C)NCC1[NH2+]2,0,GDB ChEMBL
62591,CNC(=O)C(O)C1CC(C(C)([NH3+])CCO)O1,0,GDB ChEMBL
386678,CC(=O)NC=NCC(=O)CCCc1cncs1,1,GDB ChEMBL
391730,C#CCCc1c(F)cc(C[NH3+])c(F)c1CCO,0,GDB ChEMBL
177273,COCCN(C)c1nnn2c(C)ccnc12,0,GDB ChEMBL
118687,C=CC1CC[NH2+]Cc2cn[nH]c2C1,0,GDB ChEMBL
2969,C#CC(C)(C)[NH+]1CCCCC([NH3+])CCC(C)C1,0,GDB ChEMBL
141767,C1=CC2CC[NH2+]CC(C1)[NH2+]C2,0,GDB ChEMBL
77806,C#Cc1ccc2c(c1F)C#CC=CCOC2,1,GDB ChEMBL
396706,C[NH2+]C1CCC(OC)C1C(=O)C(C)(C)O,0,GDB ChEMBL
224005,CCCC1C[NH2+]CCCC(O)C1,0,GDB ChEMBL
181629,CCC1(C)C(C)C2CCC1C(CCO)C(C)C2,0,GDB ChEMBL
354123,Cc1cc(O)c2c(c1C)C(=O)CO2,1,GDB ChEMBL
54798,C#CCC#CCC(C[NH2+]C)OC1(C)CC1,0,GDB ChEMBL
214445,O=C1Nc2cncc(F)c2CO1,1,GDB ChEMBL
160033,NC(=O)C1COC(=O)N1c1cnsc1,1,GDB ChEMBL
81136,C[NH2+]C(C(=O)N(C)C)C1C=CC(=N)O1,0,GDB ChEMBL
260686,CC1CCCC2(COC(C)C2)C1,1,GDB ChEMBL
127146,CC(C)CCC1(C)CCC(C(C)C)C(C)C1O,1,GDB ChEMBL
120548,CCc1c(C(C)C)ccsccc2[nH]ccc12,0,GDB ChEMBL
13833,CCOC1CC2CC(CO)(CCC2O)C1,0,GDB ChEMBL
195544,CC1CCCC2CCCC(C2)C2CC12,0,GDB ChEMBL
156779,CC#CCC1=CC(CO)[NH2+]CC1,0,GDB ChEMBL
181593,CCOCC12CCC(OC1)C2=O,0,GDB ChEMBL
84240,C#CC(C)CC1(c2cc(F)cc(F)c2)CC1,1,GDB ChEMBL
330757,CCC(N)=NC(C#N)(C#N)Cc1cnccn1,0,GDB ChEMBL
300488,CC(CO)CC[NH+]=C(CCC(=O)[O-])N(C)C,0,GDB ChEMBL
386462,CC1CCC(C(CCC(F)(F)F)C(C)(C)C)O1,1,GDB ChEMBL
354992,COc1ccc(C)c(F)c1C#N,1,GDB ChEMBL
131871,CC(C)(C)C(C#N)NC=O,1,GDB ChEMBL
272544,Cc1cccc(Br)c1C1C2C=CCC21,1,GDB ChEMBL
315265,CNC(=N)Nc1nc2cc(N)ncc2o1,1,GDB ChEMBL
383942,CC1C(C)C2CC=CC[NH+]2C1C,0,GDB ChEMBL
151262,C#CCC1C[NH+](C)CC2C3CC(C)CC(C3)C12,0,GDB ChEMBL
386172,CCCCc1cc(Br)c(CC)c(Br)c1C,1,GDB ChEMBL
163412,Cc1[nH]c(=O)c2c(CC(N)C[NH3+])coc2c1C,0,GDB ChEMBL
104387,NC(=[NH2+])NCC1(O)C2C=CC1O2,0,GDB ChEMBL
378133,CCCCC1C2CCCCC1CC(C)(CC)C2,0,GDB ChEMBL
300706,NC1=CC(=O)N(CC(=O)[O-])CC1,1,GDB ChEMBL
140801,NC(=O)C1C=CCC(O)CNC(=O)C1=O,0,GDB ChEMBL
339968,Brc1cccc2c1C(C1C=CCC1)C[NH2+]C2,0,GDB ChEMBL
280897,C#CC1=CCC([NH2+]C(C)CC)C1,0,GDB ChEMBL
41123,CC1(C)CNC(=[NH2+])CCCS(=O)(=O)N1,0,GDB ChEMBL
243775,CCCC1CC(C(C)C(CC)C(C)O)CC1C,0,GDB ChEMBL
78663,O=Cc1cnc(I)c(NCc2ccco2)c1,1,GDB ChEMBL
222105,COC(CNC(=[NH2+])C(C)C=NO)CC(N)=O,0,GDB ChEMBL
345788,CC1(C#N)NC(CO)CNC1C=O,0,GDB ChEMBL
221658,N#Cc1c([O-])c(O)c(=O)cc(N)c1CO,0,GDB ChEMBL
227275,CC1CC(C#N)CCC1(C)C,1,GDB ChEMBL
240412,CC1C2CC3CC(C2=O)C1C[NH2+]3,0,GDB ChEMBL
151223,C[NH2+]Cc1c(N)cc(=O)c(N)nc1CO,0,GDB ChEMBL
78346,CC1NC(=O)C2NC(=O)OC12,1,GDB ChEMBL
20073,CCC(O)C1(C)C2C=CC1C1CCC2C1C,0,GDB ChEMBL
197454,CCC1(CC)CCC=CC(C)(C)NC(=O)O1,1,GDB ChEMBL
375853,NC(=O)COC1CC2CC1[NH2+]2,0,GDB ChEMBL
155837,CC1CCCC2CC2([NH2+]CCCO)C(C)O1,0,GDB ChEMBL
166411,CC(=O)c1c(CO)cc(Br)c(C)c1OC(C)C,1,GDB ChEMBL
366579,C#CC(=O)CC(CCC)C(N)=O,1,GDB ChEMBL
234969,C#CC(C)(O)C1([NH3+])CC(C)(CNC(C)=O)C1,0,GDB ChEMBL
195308,CC1CC(C)C2(O)CC(OC2=O)OC1C,0,GDB ChEMBL
230219,CCC1C2C(C[NH3+])C[NH+]1CC21CCNC(=O)C1,0,GDB ChEMBL
82163,CC1OC2C(NS(C)(=O)=O)C2C1=O,0,GDB ChEMBL
296366,CCOc1c(CC)c(=O)occc(C)cn1C,0,GDB ChEMBL
333624,O=C1CC2OCC(CC3CC=CC32)N1,0,GDB ChEMBL
30321,CCCC(C)C(C)(C(C)C)C1(C)CCCCC1,0,GDB ChEMBL
269359,CNC(=O)OC(=N)Cc1nc(C#N)cn1C,1,GDB ChEMBL
122836,CC1CC2=CCc3c(Br)ccc(c32)C1,0,GDB ChEMBL
321977,C[NH2+]CC(C)CC1NC1c1cc[nH]c1,0,GDB ChEMBL
249476,CC1C[NH2+]C2C(CS(C)(=O)=O)C2C1C(=O)[O-],0,GDB ChEMBL
339939,Nc1nc([O-])c(=O)cc(C(O)C(N)CC[NH3+])[nH+]1,0,GDB ChEMBL
157416,CC12C3CC(C(C3)C1O)C2O,1,GDB ChEMBL
277403,CCCc1cc(Br)c(Br)c(Br)c1Br,1,GDB ChEMBL
280747,CC1C(=O)NCCC(=O)C(O)C(=N)N1C,0,GDB ChEMBL
98568,CC(O)C1CC2(C#N)CC1C(C)(CC[NH3+])N2,0,GDB ChEMBL
291922,CN=C1NC(=O)COCC(C)(COC)C1CO,0,GDB ChEMBL
165923,O=C1CNC2CCC3C2N1CC(O)C3(O)CO,0,GDB ChEMBL
35706,CC(=O)OC1C(N)C2C(=O)NC1C2[NH3+],0,GDB ChEMBL
231105,CC(C#N)C(=O)N(C)C(=O)OCc1nccs1,1,GDB ChEMBL
204482,FC(F)(F)Cc1ccc(Br)c2c1NCC2,1,GDB ChEMBL
390471,CCCC(C[NH3+])Oc1nc(C(=O)N(C)C)ns1,0,GDB ChEMBL
298098,CC(C)OCc1cc(Cl)c([O-])c(C(F)(F)F)c1,0,GDB ChEMBL
204301,CC12CCC(C1)C1[NH+](CCN)CCC12C,0,GDB ChEMBL
335516,C=CCc1nc(C#N)c(F)cc1C,1,GDB ChEMBL
291908,C#CCCOC(=O)C1CCC1C,1,GDB ChEMBL
313326,CCN1CC2NC(=O)CC2([NH3+])CC(N)C1C#N,0,GDB ChEMBL
334057,C[NH2+]C1CC(O)C(C([NH3+])C(N)=O)C12CO2,0,GDB ChEMBL
315179,NC=[NH+]C(C(N)=O)C(N)CC(=O)NCCCO,0,GDB ChEMBL
268137,CN(CCO)c1cc(N)n(C)n1,1,GDB ChEMBL
338289,O=C1NC(CO)C(c2cocn2)N1,0,GDB ChEMBL
241098,CNC(=O)C(C[NH3+])N1CCS1(=O)=O,0,GDB ChEMBL
162951,C[NH2+]C1(C(=O)C(C)C(N)=O)CC1,0,GDB ChEMBL
283284,CC1C=CCC2COCC(CC[NH2+]2)C(C)C1,0,GDB ChEMBL
235589,Cn1nnc2c1CCCC(=O)NC2=N,0,GDB ChEMBL
31410,Cc1ccc(C2CC[NH2+]2)o1,0,GDB ChEMBL
382075,O=C(CC1CC1)NC1=NCC(=O)OC1,1,GDB ChEMBL
313720,CC(C)[NH2+]CC1=CC(=O)N(C)C2CC12C,0,GDB ChEMBL
296599,C[NH2+]C(C=O)C1CC2(CCC[NH2+]2)CC12CO2,0,GDB ChEMBL
85039,CCC1=C(COC)C(CC(C)(C)C)CC1,0,GDB ChEMBL
207692,COC(=O)N1C(=O)OC2CCCC21,1,GDB ChEMBL
258754,C#Cc1c(F)c(C)c(C)c(C=O)c1NCC,1,GDB ChEMBL
395651,C#CC(C)(C)CC(C)(C)c1ncc(C)cc1Cl,0,GDB ChEMBL
45075,CC1=CC2CC(C)CCCC(C)C1C2,0,GDB ChEMBL
200775,CCCOC(CCC(C#N)NC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
331694,N#Cc1onc(N)c1CNC(=O)CCO,1,GDB ChEMBL
162539,CNC1C(C[NH3+])CC2OC2C(=O)NC1C[NH3+],0,GDB ChEMBL
387293,CC1C2CCCCC1NC1=NCC(O)(CO1)C2,0,GDB ChEMBL
48179,CCCCC#CC1CCC=CC12C[NH+](C)C2,0,GDB ChEMBL
86685,CCc1n[nH]c2c(=O)[nH]cc(N(C)C)c12,1,GDB ChEMBL
10955,CCCNC(=O)C1COC(CC)C1=O,1,GDB ChEMBL
288164,CCC(C)(C)C([NH2+]C)c1ccc(C)cc1I,0,GDB ChEMBL
184474,CCC(C)OC(NC)=[NH+]C,0,GDB ChEMBL
102112,CCCCC1CC2C=CC1C2C(C)C,0,GDB ChEMBL
31268,CC(C)CCCCCC(C(C)C)C1CCCC1,1,GDB ChEMBL
132469,N#CCNC1C(=N)OC(C(N)=O)C1O,0,GDB ChEMBL
124102,CC[NH+]1C2CCCC(CO)CC(C)C1C2O,0,GDB ChEMBL
61751,Cc1cc2c(nc1Cl)CCCC(C)OC(C)C2,0,GDB ChEMBL
190839,CC1=CCCC2OC2CC2CC2CC1,0,GDB ChEMBL
107829,CN1CCC2([NH3+])C(C(N)CC#N)C2(C)C1=O,0,GDB ChEMBL
129571,CC12CC=CC(=O)C(C)(C)C1CCCC2,0,GDB ChEMBL
317358,CC(O)(CC#N)C(N)C[NH2+]C1CCC(O)C1,0,GDB ChEMBL
127490,CCC1C2C(C[NH2+]CC(C(N)=O)N1C)N2C,0,GDB ChEMBL
280270,NC(=O)NC(C(N)=O)c1ncon1,1,GDB ChEMBL
67350,CC1(C2CC2)C([NH3+])C1C([NH3+])CC(=O)[O-],0,GDB ChEMBL
222831,C=C(CC#N)NC(=O)NC(=O)CO,1,GDB ChEMBL
323341,N=C1OC(=O)Cn2nccc21,1,GDB ChEMBL
334797,CC#CC#Cc1cnccc1F,1,GDB ChEMBL
259716,Cc1c(F)ccc(CC2CC2(C)C)c1F,1,GDB ChEMBL
275651,CCn1cnc2c(F)cccc21,1,GDB ChEMBL
115548,CCC(O)(C[NH2+]C)C1(O)CCCCC(C)[NH2+]C1,0,GDB ChEMBL
2352,CC([NH3+])c1cc(CNCC(N)C#N)c(O)cn1,0,GDB ChEMBL
353213,CCC(C)CC1(C(F)(F)F)C=CCC1CC,0,GDB ChEMBL
56633,CCCC(=O)C1C[NH2+]CCCC1CC(C)CC,0,GDB ChEMBL
18896,CC(CC(O)C(=O)[O-])C([NH3+])C(N)C(N)C(N)=O,0,GDB ChEMBL
179994,CCC(CC)C1OC1(C)CC,1,GDB ChEMBL
398797,CC1CC2CC2CCC1(CO)C1=CCCC1,0,GDB ChEMBL
50244,[NH3+]C(CCC1C([NH3+])C1O)C(=O)[O-],0,GDB ChEMBL
71415,CC1CCC2C(O)C(C)(N)C[NH+]12,0,GDB ChEMBL
152064,CCC1CC(O)C([NH3+])CC1[NH3+],0,GDB ChEMBL
360848,CC([NH3+])CC(C)CC[NH+](C)C,0,GDB ChEMBL
320321,C[NH2+]CC(O)C1NC1C(C)=O,0,GDB ChEMBL
153204,CCn1cnc(COC23CCN(C2)C3)c1C,1,GDB ChEMBL
197484,CCC=CC(C(F)(F)F)C(F)(F)F,1,GDB ChEMBL
252075,CC(=O)OC1CCC(C(N)=[NH2+])CC12CN2,0,GDB ChEMBL
263488,CCC(C)C1CC(C)=CC(C)CCCO1,1,GDB ChEMBL
322874,NC(=O)C1CCC(O)C12CC1CC2C1,0,GDB ChEMBL
303915,Cc1cccc2c1C(C1(C)CC1)CC2,1,GDB ChEMBL
119675,CC(C=O)N(CCNC1C[NH2+]C1)S(C)(=O)=O,0,GDB ChEMBL
300539,CC#CC(CC)C(O)CC1CCC(C)C1,0,GDB ChEMBL
102131,COCCOc1cc2n(c1)CC(C)=C2,1,GDB ChEMBL
248902,N#CC(CS(=O)(=O)NCC[NH3+])C(N)C(=O)[O-],0,GDB ChEMBL
94855,CC12CC=CCC1C1CCC(CC2)[NH2+]1,0,GDB ChEMBL
161025,CCOC(=NC)NC(=O)CO,1,GDB ChEMBL
7383,CC1Cc2cc(N)c(N)c(O)c2CC(C)[NH+]1C,0,GDB ChEMBL
126950,Cc1nc(CO)cnc1N(C)C,1,GDB ChEMBL
68494,CC([NH3+])C(C)C(O)C([NH3+])C(C)CO,0,GDB ChEMBL
222797,CC(CC=CCC(F)(F)F)C1CC1,1,GDB ChEMBL
307556,NC(=[NH2+])Nc1cnc(N)[nH]cc(O)cc1N,0,GDB ChEMBL
120360,CCCC1(C[NH3+])CC2(CC1O)CN(C=O)C2,0,GDB ChEMBL
296274,Cc1sc2c(c1C)C(C)CCCC(C)OCC2,0,GDB ChEMBL
284386,O=c1ncccn1CCO,1,GDB ChEMBL
71655,CC(COC(=O)C(C=O)N=C(N)N)C(=O)[O-],1,GDB ChEMBL
210189,CCCCC1C(C)=CC=CCC12CC2,0,GDB ChEMBL
141923,CC1C[NH+](C)C(C)C(O)(CCO)CN1C=O,0,GDB ChEMBL
97076,CC1=CCC(C)(C)C1c1cccc(C)c1Cl,1,GDB ChEMBL
103463,CCCC(C)C1CCC(C)(CC)CC1(O)CC,0,GDB ChEMBL
349945,[NH3+]C1CCCNC2C(=O)OC1C1C(O)C21O,0,GDB ChEMBL
338563,N#CCCOCCC1(O)CCCC([NH3+])CCC1,0,GDB ChEMBL
89330,C#CCCC1(CC)CC2CCC(CC(C)C2)C1,0,GDB ChEMBL
267883,CCC1[NH2+]C2C3CC3C(CC)C2OCC1O,0,GDB ChEMBL
288969,CCCC1C(CC)(CC)C1(CN)[NH2+]C,0,GDB ChEMBL
304636,CCC1CC=CC2OCC(C(O)CC)C2C1,0,GDB ChEMBL
88156,COc1cn(CCS(=O)(=O)[O-])cn1,0,GDB ChEMBL
214766,CC1C2COC(=O)CNC(C#N)(CO2)C1O,0,GDB ChEMBL
390472,Cc1cccc2c1C(CO)(CC(C)C)C=C2,1,GDB ChEMBL
157434,NC1CC(=[NH2+])NC1C(=O)Nc1cnsn1,0,GDB ChEMBL
252622,Cc1cc2c(Cl)c(c1)CC(C)CCCC#C2,1,GDB ChEMBL
321409,C[NH2+]C1(CC(=O)[O-])C2NCC(C[NH3+])C1C2O,0,GDB ChEMBL
284391,COC(=O)Nc1csnc1OC(C)C[NH3+],0,GDB ChEMBL
395176,CC(=O)C1C2CC3(O)CC(C21)[NH+](C)C3,0,GDB ChEMBL
347022,Cn1cc(O)cc(C(C)(C)C)cnc(O)c1,0,GDB ChEMBL
355398,CC#CC1([NH3+])CC(CCCC)(C(N)=O)C1,0,GDB ChEMBL
260703,C#CCC(O)CC1(C)CC=C(C)CC1C#N,0,GDB ChEMBL
83533,COC(=O)C(N)C12CC1C([NH3+])CN2,0,GDB ChEMBL
11228,CNS(=O)(=O)C(O)C(CCCCOC)=N[O-],0,GDB ChEMBL
271073,COc1ccc(C)c2c1NCCC([NH3+])C=C2,0,GDB ChEMBL
292204,COC1(C)CN(c2c(C)c(O)nn2C)C1=O,1,GDB ChEMBL
271499,C#CC1CC(C)(C)OC(C)(C)OC1=O,1,GDB ChEMBL
16044,CCCCCC(C)CCC1CC1,1,GDB ChEMBL
62537,CC1NC2CC(O)C(C#N)(CO)C2C1=O,0,GDB ChEMBL
330500,C#CC1C=CC(O)C(C)CCC2C[NH2+]C1C2,0,GDB ChEMBL
379373,[NH3+]CC1(CC2(O)CC=CC2)CC1,0,GDB ChEMBL
48489,C[NH2+]CCC(=N[O-])C1N=C(N)NC(=O)C1=O,0,GDB ChEMBL
292572,NC(=O)NC1=[NH+]CCN1CCO,0,GDB ChEMBL
84547,CCCCC[NH2+]C(CO)C1CCCCC1(C)C,0,GDB ChEMBL
363150,N#CCCC1C(CO)C2C3CNC(=[NH2+])N1C32,0,GDB ChEMBL
22480,CC(=[NH2+])N1CCC2C=CC1C2,0,GDB ChEMBL
22812,CCCC(NC(C)=O)C1(C)CC1,1,GDB ChEMBL
325711,CCCC1OC(C(C)C)C(C)(CC[NH3+])C1[NH2+]C,0,GDB ChEMBL
366522,CC#CCc1cc(C(C)CC)ccc1OC,1,GDB ChEMBL
386207,C=C(C)NC(=[NH2+])c1sccc1CC,0,GDB ChEMBL
47384,CC1C=CC2CCC[NH+]2CC2CCC1CC2,0,GDB ChEMBL
47995,CCc1c(Cl)c(C)cc(COC)c1Cl,1,GDB ChEMBL
39752,CC1C([NH3+])C2NC(=O)NC(C(N)=O)C1OC2=O,0,GDB ChEMBL
204823,CCCCC1CCC(C)C1,1,GDB ChEMBL
61815,CC([NH3+])C(O)c1ncco1,1,GDB ChEMBL
40314,CN1C(=[NH2+])CCOCCC1C(=O)NC(C)(C)C,0,GDB ChEMBL
242955,CC[NH+]1CCC1(C)C(OC)C(C)O,0,GDB ChEMBL
140340,CC#CC1CC=Cc2cc(Cl)ccc2O1,1,GDB ChEMBL
307560,CC1([NH3+])C2OC(=O)NC(CC[NH3+])C1(O)C2N,0,GDB ChEMBL
183466,CC1CC2C[NH2+]CC(O)C1C2,0,GDB ChEMBL
111589,CCC(NC=O)C1(C)COC1,1,GDB ChEMBL
359107,Cc1c(O)cc(Cl)nc1N(C)Cc1cnoc1,1,GDB ChEMBL
128303,CC(C(O)C(N)C(O)C[NH3+])[NH+](C)C,0,GDB ChEMBL
292682,O=C1CCCN(C(=O)C(=O)[O-])C1,0,GDB ChEMBL
252737,C=C(CC[NH2+]CCCC[NH3+])C(C)O,0,GDB ChEMBL
177196,COC(C(N)=O)[C-](C#N)C(=O)C(N)=O,0,GDB ChEMBL
244451,C[NH2+]C1CCCC#Cc2cc(co2)C1,0,GDB ChEMBL
174255,COCCCC1(C)CC[NH+]1CC#CCCO,0,GDB ChEMBL
234845,COCC[NH2+]C1C2C=CCC21,0,GDB ChEMBL
73248,CCOCc1ccsc1C=O,1,GDB ChEMBL
132296,CCC1C(=O)OC1CC([NH3+])C1CC1C,0,GDB ChEMBL
345746,CC12CC1CCCC(O)CC=CCCCO2,0,GDB ChEMBL
281843,CNc1nc(=O)[nH]c(C(=O)[O-])c1C,0,GDB ChEMBL
303897,Nc1nccc(Cl)c1CC(=O)C=O,1,GDB ChEMBL
5205,CC1NC(C#N)C(N)CC(C#N)C1O,0,GDB ChEMBL
271075,CC1(c2ccccc2I)CC2CCC1C2,1,GDB ChEMBL
18817,CN1C(=O)C(O)(C(O)C[NH3+])CC(O)CC1C#N,0,GDB ChEMBL
378915,OCc1cc(I)cn2cccc12,1,GDB ChEMBL
39974,NC1=[NH+]C2(CC2)CC(O)C([NH3+])C(C(=O)[O-])O1,0,GDB ChEMBL
324289,Nc1nccc2[nH]ccc(=O)c12,1,GDB ChEMBL
252902,COC1C2CC(C(=O)[O-])C1C2,0,GDB ChEMBL
382171,CC(C)(C)c1ccccc1C1CCC2CC21,1,GDB ChEMBL
279972,C[NH+](CC(=O)[O-])Cc1cc(=N)c(=O)ncs1,0,GDB ChEMBL
367797,COC1CC2CCC3CC1C2C3C,0,GDB ChEMBL
175694,C#CC(C)(C)C1(C(C)C)Cc2ccccc2C1,0,GDB ChEMBL
23463,CCC(C)CC(C)C1CC12CCCC(C)C2,0,GDB ChEMBL
279242,CC(O)(C1CO1)C(C(N)=[NH2+])C1CCC(=O)N1,0,GDB ChEMBL
100746,CCN(C(C)=O)C(=NCC(C)=O)S(=O)(=O)NC,0,GDB ChEMBL
337157,CC#CC1C(Cn2ccnc2)=CCC12CC2,0,GDB ChEMBL
280595,NC(=[NH2+])NC1C2C=CCCC21,0,GDB ChEMBL
359125,N#CCC1C(=O)OC1CC[NH3+],0,GDB ChEMBL
130385,CC1=CC=CCCCC(C)C(C)C=C1,0,GDB ChEMBL
77279,CC(=O)OC1CC2CC(C1[NH3+])C(O)C2OC=O,0,GDB ChEMBL
359102,CC1=CC(C)(C)CCc2cc(F)ccc21,1,GDB ChEMBL
318533,NC(=O)C1COCC2(CC([NH3+])C2)N1,0,GDB ChEMBL
259140,N#CC1C2CC([NH3+])CC(C(O)C2[NH3+])N1CC[NH3+],0,GDB ChEMBL
320767,CC(C)CC12CCC(C)(C)CC1CC(C)(C)C2,0,GDB ChEMBL
296297,CCCC1(CO)CC(C)C[NH+](C)C(C)CO1,0,GDB ChEMBL
159870,FC(F)(F)C1CC2[NH2+]C2C1,0,GDB ChEMBL
10558,CC1CC2C3N1S(=O)(=O)CC23NC(=O)C[NH3+],0,GDB ChEMBL
277712,C[NH+](CCC(=O)CO)CCC(O)C(=O)[O-],0,GDB ChEMBL
152594,Cn1cnc(O)cc(N)c(CCC[NH3+])cc1N,0,GDB ChEMBL
146054,CC(=O)OC1CC(=O)C2C1C2(C=O)CO,0,GDB ChEMBL
146039,CC(C)C1CC([NH3+])CC(C)C2CCC12,0,GDB ChEMBL
300145,CNC(=O)N1CC1C(=N[O-])C(C)=O,0,GDB ChEMBL
330785,C1CC2C(C1)C2C[NH+]1CCC1,0,GDB ChEMBL
275576,NC(=O)CNC1(CO)CC1[NH3+],0,GDB ChEMBL
160048,CC(C)NC(CCC(N)=O)=[NH+]CC#CC[NH3+],0,GDB ChEMBL
201019,C=CCCC#CCCCCN1CC1,1,GDB ChEMBL
377987,CCC1(CC(CO)CCNC=[NH2+])CC1,0,GDB ChEMBL
309654,CCC1C2CC[NH+]3CC4C(CC13)C42,0,GDB ChEMBL
353980,C[NH+](C)CCC1NCC1(C)[NH3+],0,GDB ChEMBL
270047,CC(=O)N1C(=O)OC2C1C2(O)C(=O)[O-],0,GDB ChEMBL
352802,CCC1(O)C(C)CC=C(C)CCC1(C)C,0,GDB ChEMBL
125676,CNC(=O)NCCCNc1cc([O-])on1,0,GDB ChEMBL
249620,[NH3+]C(C(O)C(=O)[O-])C1(O)C(=O)NC2CC21,0,GDB ChEMBL
177261,CC(C)CC1C(C)C(C2CCCC2)CC1(C)C,0,GDB ChEMBL
190858,O=C1OC2C(CCCO)C12,0,GDB ChEMBL
97156,COC1(C)C2CC(O)(C[NH3+])C1C(=O)N2,0,GDB ChEMBL
197472,CCOCCC(C)C(C)(C)C,1,GDB ChEMBL
273827,Oc1c(Br)cc2[nH]nc3c2c1CC(O)C3,1,GDB ChEMBL
383012,N#CC1CC12NCC([NH3+])C(O)C2C(=O)[O-],0,GDB ChEMBL
64354,CCc1ccc(C(CC)CC(C)C)c(Cl)c1C,1,GDB ChEMBL
99636,CS(=O)(=O)NC1C2COCC(O)C(O)C21O,0,GDB ChEMBL
321819,C#CC1(OC(C)C)C2C(C[NH3+])CCCC21C,0,GDB ChEMBL
7362,CCOC1=NCC(N(C)C(=O)COC)CC1,1,GDB ChEMBL
220188,CC(=O)NCC1OC1(C(C)[NH3+])S(N)(=O)=O,0,GDB ChEMBL
298232,COc1cccc(C2(C)NC2C)c1Br,1,GDB ChEMBL
116646,C#CCCCC#CCC(C)CC[NH2+]C,0,GDB ChEMBL
299571,CCc1c(OC(N)=[NH2+])cc(F)nc1C(N)=O,0,GDB ChEMBL
198797,OCC[NH+]=C1NC2COCC1C2,0,GDB ChEMBL
389092,CC1CCC(C2CC(=NO)C=CCO2)CC1,1,GDB ChEMBL
124148,CC(C)CNC(=O)CCC(N)=[NH+]CC=O,0,GDB ChEMBL
206960,CC1CCCC2[NH+]=CNCC2N1C(=O)CC#N,0,GDB ChEMBL
108138,C=CC12C[NH+](CC)CC1OCCO2,0,GDB ChEMBL
28335,CC1(C)CC1CCCCC[NH3+],0,GDB ChEMBL
323369,C#CC1C(=O)NC(C(C)C)CC(=O)C1C(C)=O,0,GDB ChEMBL
338894,NC(=O)C1CC2NC(=[NH2+])C(N1)C2C(O)C(=O)[O-],0,GDB ChEMBL
254256,CCCC1CCC(CC)C1C(C)CC,0,GDB ChEMBL
372518,CCS(=O)(=O)NCC([NH2+]C)C1OCC1CO,0,GDB ChEMBL
15560,C[NH2+]CC(OC)C1CC1CC[NH3+],0,GDB ChEMBL
153254,C#CC1C=C(C)C(=O)C1CCCCC,1,GDB ChEMBL
176500,C#CCOC(=O)C1OCCCC1O,1,GDB ChEMBL
3819,NC1C[NH+]2CCOCC1(O)C2,0,GDB ChEMBL
202049,CCC([NH3+])CC1(C)C[NH2+]C(C)CC([NH3+])CC1C,0,GDB ChEMBL
242986,C#CC1CC(=O)CC1c1ccc(Br)c(Br)c1[O-],0,GDB ChEMBL
40400,CC#CC1C2C=CC(CCC)(C2)C[NH+]1C,0,GDB ChEMBL
370331,C#CCC1CC2C(CC)N2C1CO,0,GDB ChEMBL
228502,CN1CC(=[NH2+])NCC(N(C)C)CC(O)CC1=O,0,GDB ChEMBL
824,CC(C[NH3+])C1OCC(C(N)=O)OC(=O)NC1=N,0,GDB ChEMBL
372603,CC12CC3CCC1C3CCC2CO,0,GDB ChEMBL
203284,CC1C2CC3CCCCOC(C3[NH3+])C12,0,GDB ChEMBL
274941,CCOc1ccc(C(C)(C)CC)c(Cl)c1CC,1,GDB ChEMBL
303297,CCC(CC)C(CN(C)CC(C)(O)CC)[NH2+]C,1,GDB ChEMBL
240381,C[NH2+]CCNC(C)C(=O)C1(C)OC(=O)C1C,0,GDB ChEMBL
288637,C[NH2+]CC1(C(C=O)C(N)=O)OC1C,0,GDB ChEMBL
201731,Cc1c2cc(nc1F)NCCCCC(=[NH2+])N2,0,GDB ChEMBL
182540,CCC(C)(C)C1=CCCC(C(C)C)CC1,1,GDB ChEMBL
338981,CCC1C=CC2CCCC=CC12CC(C)C,0,GDB ChEMBL
324304,CN1CC(C([NH3+])CC(C)(C)[NH3+])CCC1=O,0,GDB ChEMBL
388280,Fc1cc2c(c3c1C1(CC1)CO3)CCC2,1,GDB ChEMBL
121957,CCC1CC(C)(OC)C(C(C)C)CCC1[NH3+],0,GDB ChEMBL
345831,O=C([O-])C(=O)NCc1noc(=O)[nH]1,1,GDB ChEMBL
92352,NC1C(=O)NC(CO)C(O)C(O)C1CNC=[NH2+],0,GDB ChEMBL
115212,CC1=CC2CCC(=O)OC(C1)C(=[NH2+])N2,0,GDB ChEMBL
79252,CCCNC(=O)n1c([O-])nnc1O,0,GDB ChEMBL
90301,C#CCC1CCC2CCCC1(C)C2C,0,GDB ChEMBL
377778,C#CC(O)CC(C)OC1CCC2CC[NH+](C2)C1,0,GDB ChEMBL
16504,C#Cc1c(CC(C)(C)O)cc(Br)c(C)c1C#C,1,GDB ChEMBL
127037,COC1CC(C(O)S(N)(=O)=O)NC1=O,0,GDB ChEMBL
156518,CCC(C)C(CCC(F)(F)F)C1C(C)C1C,0,GDB ChEMBL
286330,C#Cc1c(Cl)c(NCC)nc2c1c(N)cn2C,0,GDB ChEMBL
354872,CCC1C(=O)NC(=O)C(=O)NCCS1(=O)=O,1,GDB ChEMBL
93130,CN1C(=O)C2OC(=O)C13C([NH3+])C23,0,GDB ChEMBL
132215,NC(=[NH2+])CCC1(O)CC(O)CCC(CO)C1,0,GDB ChEMBL
173716,CCC(OC)C(O)(CCO)CC(N)=[NH2+],0,GDB ChEMBL
105142,C#CCC1CC2(OC)CC(C)=CC1C2,0,GDB ChEMBL
5239,CCCCC1(C(=O)C(CO)=N[O-])C[NH2+]C1,0,GDB ChEMBL
265477,C=CC(O)(CCC)CCCC(N)=O,1,GDB ChEMBL
208235,CC[NH+]1CCCCC2C(C)CC21,0,GDB ChEMBL
333616,CCCC1OC(=O)C1CC,1,GDB ChEMBL
337971,CC1CCN(C)C(=O)Cc2cc(sn2)N1,0,GDB ChEMBL
127242,N#CCC1(C(=N)NCC(N)=O)CO1,0,GDB ChEMBL
93754,CC1CN1C(=O)OC(CO)C(N)C(N)=[NH2+],0,GDB ChEMBL
122871,CC([NH3+])CNCCOC(=O)NC(N)=O,0,GDB ChEMBL
317984,C#CCCC[NH+]1CCC(CCC#C)CC1(C)C,0,GDB ChEMBL
170422,Cc1cc2c(c(Cl)c1Cl)C1C=CC(CC2)C1,1,GDB ChEMBL
302325,NC(=O)n1c(NCC[NH3+])nc(O)c1O,0,GDB ChEMBL
289949,COC1CC([NH3+])C2(C)CC(C)C1C2,0,GDB ChEMBL
214703,CC1CC[NH+]1C(C)(CO)C(N)=O,0,GDB ChEMBL
156022,N#CC1C[NH2+]CC1OC(N)=O,0,GDB ChEMBL
70975,O=C1NCCCn2c1cc1ocnc12,1,GDB ChEMBL
129415,CCCC(C)(CCO)CC1CCC(C)(O)CC1,0,GDB ChEMBL
184884,C=CC1CC2C[NH+]1C(C)C(O)C2C,0,GDB ChEMBL
164638,N#CC(O)C(CO)OC(=O)CC[NH+]=CN,0,GDB ChEMBL
220192,COC12C[NH+](CC(O)C1O)C2CC(C)(C)C,0,GDB ChEMBL
324056,CCc1cc2n3c1CCCC3C(C)(C)C[NH2+]C2,0,GDB ChEMBL
203472,C#CCC(O)(C#CC(C)[NH+](C)C)CCO,0,GDB ChEMBL
203569,NC(=O)CC1CCCC(=O)NC1,1,GDB ChEMBL
70326,C[NH+](C)C1CC(=O)C(=O)NC(C)(C)C1,0,GDB ChEMBL
257539,CC1C2OC2C2CC([NH3+])CC[NH+]12,0,GDB ChEMBL
133337,N#CCC1CN(CC[NH3+])C(C(=O)[O-])C(=O)N1,0,GDB ChEMBL
278169,CCC1CC2OC(CO)C34NC3C(=O)N1C24,0,GDB ChEMBL
292543,CC1=CCC2OC2(CO)CC([NH3+])CC(=O)N1,0,GDB ChEMBL
155807,CC1CC(Nc2ccc(Br)cc2)(C(N)=O)C1,1,GDB ChEMBL
122736,CNC(=O)C(CO)(NC=[NH2+])C(=O)[O-],0,GDB ChEMBL
167274,CC1(C)CC2[NH2+]CCC2C(=O)C(C)(C)C(=O)N1,0,GDB ChEMBL
142400,O=C1CCc2c(I)ccc(I)c21,1,GDB ChEMBL
124309,CC1CC([NH3+])C2OC(=O)C(O)C12O,0,GDB ChEMBL
228335,CCOCC1(C(C)CC(N)=O)CO1,0,GDB ChEMBL
40372,[NH3+]C1C(C(=O)[O-])C(=O)OC2CC21,0,GDB ChEMBL
9872,CN(C)CC(=O)C1NC1(C)C,1,GDB ChEMBL
340125,CCc1cc2c(Cl)ccc(C(C)(C)C)n2c1,1,GDB ChEMBL
343210,CCCCC(C)=C(CC)CC(C)C,1,GDB ChEMBL
177117,CC#CC1(OCC(N)C[NH3+])CC1,0,GDB ChEMBL
55539,NC(=O)C1C2C(O)COC(CC(=O)[O-])C12,0,GDB ChEMBL
150085,CCC1OCC2(C)C1N2C(=O)CO,0,GDB ChEMBL
98553,COC(C)C(CO)CC=O,1,GDB ChEMBL
110203,C#CC1(CC)OC1CCC(C)C,1,GDB ChEMBL
184669,CCCC1C2CCCC2C2(C)CCC1(C)CC2,0,GDB ChEMBL
184874,CCC(O)C1(C)C(CC)CC1C(C)OC,0,GDB ChEMBL
230690,C#CC(OCC)C(C)C(C(C)=O)[NH+](C)C,0,GDB ChEMBL
70992,CC1C=CC2C([NH3+])C(O)COC2(C)CC1,0,GDB ChEMBL
157470,CCCC12CC(C)(C1)C(C)[NH+](C)CCC2C,0,GDB ChEMBL
3982,CCC1NC(=N)N(C=N)C1=O,1,GDB ChEMBL
147989,O=[N+]([O-])c1ccoc1S(=O)(=O)[N-]CCO,0,GDB ChEMBL
386400,CCc1c(F)cc(F)c(O)c1CC,1,GDB ChEMBL
141829,Cc1nc(C(=O)[O-])c(CC2(C)CO2)o1,0,GDB ChEMBL
209666,CC(O)CC(N)=[NH+]CC1OC(=O)OC1CO,0,GDB ChEMBL
163380,C#Cc1scc2c(cccc1C[NH3+])OCC2,0,GDB ChEMBL
151048,C=CCC(C([NH3+])CC)C1CC1CC,0,GDB ChEMBL
252638,CC(C)CCN1CC2(C)CC2CNC1=O,1,GDB ChEMBL
196463,CCC1(C)CC(C(C)OC)CC12CC2,0,GDB ChEMBL
95623,Cc1ncc(C2CCCC2)c(I)c1C,1,GDB ChEMBL
81771,C#CCC(C)C(=CCCCC)CC,1,GDB ChEMBL
236719,CC1NC(C(N)=[NH2+])C(C)(C)C1CC(N)=O,0,GDB ChEMBL
235639,C[NH2+]C1(CC(C)C)C(C(C)[NH3+])C1C(C)[NH3+],0,GDB ChEMBL
382535,CC(C)C1=CC(C)(C)CC1C[NH+](C)C,0,GDB ChEMBL
299201,CCC#CCC(CC[NH3+])[NH2+]CCCC,0,GDB ChEMBL
219549,CCCC1(O)CC(C)C1,1,GDB ChEMBL
221342,CC(=O)NC(=O)N1CC(=O)NC(C([NH3+])CO)C1,0,GDB ChEMBL
50865,CC1CNC(NC(=O)C[NH3+])=NC1C#N,0,GDB ChEMBL
386153,C#CC(C)(C)N1CC([NH2+]CCC)CC(=O)C1C,0,GDB ChEMBL
125686,CC1CCCCC2(C)CCC([NH3+])CC1C2,0,GDB ChEMBL
261183,[NH3+]C(CCc1cccs1)C1CN1,0,GDB ChEMBL
318763,CC1(O)CC2C3CCOCC3C1C2(C)C,0,GDB ChEMBL
291874,C#CC1C=C(CC)C(Cc2cnc[nH]2)C[NH2+]1,0,GDB ChEMBL
305521,COC(C(C)C[NH+](C)C)S(N)(=O)=O,0,GDB ChEMBL
284761,CC1C2C=CC1C(C1CC1)[NH2+]CCC2,0,GDB ChEMBL
304036,[NH3+]C1CCCCC1C1CCO1,0,GDB ChEMBL
141979,C#CC(C#N)(C#N)CCCC(CO)CC(N)=[NH2+],0,GDB ChEMBL
195463,CC(C)CC(=O)C1CCC2CC(C)(C)CC21C,0,GDB ChEMBL
72380,CC(CO)OC(CC(N)=O)S(=O)(=O)[O-],0,GDB ChEMBL
309149,CCC1(C#N)OCC2CCC=CCC1C[NH2+]2,0,GDB ChEMBL
105100,NC1=NCC(O)CC1(O)C[NH+]1CC=CC1,0,GDB ChEMBL
85040,C#CC(C#C)C(CC)c1ccccc1I,0,GDB ChEMBL
118686,CCCC1(C#N)NC(=[NH2+])CC(C[NH3+])C1CO,0,GDB ChEMBL
7408,[NH3+]C(C(=O)[O-])C1CC2CS(=O)(=O)NC21,0,GDB ChEMBL
245508,Cc1ncc2ccc(F)c3c2c1N(C)C=N3,0,GDB ChEMBL
109166,CNC(=O)N1C(=N)NC(CO)(CCO)C1C=O,0,GDB ChEMBL
73274,CC12CC(OCO1)C([NH3+])C2CO,0,GDB ChEMBL
203264,CC(=O)C1=C(C)C2(CCOCC2)CC1O,0,GDB ChEMBL
212590,COCC1(CC(=O)[O-])C[NH2+]C(CN)C1N,0,GDB ChEMBL
115968,CCC1(C(O)C([NH3+])CO)NC(=O)C(O)C1OC,0,GDB ChEMBL
70343,C#CC1(C)[NH2+]C(CC(=O)[O-])C1(C)C,0,GDB ChEMBL
127469,CC[NH+]1CC2=C(C1)CC13CC(C)CC1(C2)C3,0,GDB ChEMBL
124142,CCCC1CCOC2CCCC1(C)CCC2,0,GDB ChEMBL
392287,N=C1OCC2C([NH3+])CNC(=O)C12,0,GDB ChEMBL
278246,COC(CCOCC[NH3+])CCC(C#N)CO,0,GDB ChEMBL
205812,O=C([O-])C12C[NH2+]C(CO)C(C1)NC2=O,0,GDB ChEMBL
151760,CC1CC(O)C2(CC2[NH3+])C(=O)O1,0,GDB ChEMBL
300464,N#CC1CC(N)(C(NC(N)=[NH2+])C(N)=O)C1O,0,GDB ChEMBL
372763,CC12C[NH2+]C(C)(CCO)C(CC1CO)C2,0,GDB ChEMBL
77826,CS(=O)(=O)CC1NC(=O)C2NC2C1O,0,GDB ChEMBL
346516,C#CC(C)CC(C)CCCCC1CC1,1,GDB ChEMBL
173148,C#CC1=CC(C)(C(CO)[NH2+]C)C(C[NH3+])C1,0,GDB ChEMBL
281022,C#Cc1c(C)cc2c(c1F)CC=CC2,1,GDB ChEMBL
20767,COCC1=CCCC(C)(C)[NH+](CC=O)C1,0,GDB ChEMBL
303315,N#CCNC1(C(F)(F)F)CCCCC1,1,GDB ChEMBL
132295,CNC(C)=[NH+]CC(C)[NH3+],0,GDB ChEMBL
38875,CS(=O)(=O)N1C(C=O)C(O)C1C(N)=O,0,GDB ChEMBL
296593,CC#CCN(C(C)=O)C(C)C(C)(N)C#N,1,GDB ChEMBL
300528,C[NH2+]CC(=O)C1(C=O)COC1,0,GDB ChEMBL
276053,CC12CC(O)C(C(N)=O)C1C2NS(C)(=O)=O,0,GDB ChEMBL
355006,CC1(c2c(F)ccc3c[nH]nc23)CC1,1,GDB ChEMBL
112533,CCC1C(C)C(C)CC2CCCC1(C)C2,0,GDB ChEMBL
130820,CCCOCC1C([NH3+])CN1C,0,GDB ChEMBL
147932,CCC(C[NH3+])C1OC1(C)C,0,GDB ChEMBL
116008,CC(=O)OC1CCOCCN2CC([NH3+])CC1C2,0,GDB ChEMBL
259131,CC1CC(C[NH3+])N2C1C2C(C)(O)CCO,0,GDB ChEMBL
338392,C1COC2CC2C2CC(C1)C[NH2+]2,0,GDB ChEMBL
149993,C#CC1CC(C(C)C)OC(=O)CO1,1,GDB ChEMBL
216510,CC(=O)NC(C)C12C(O)C(=O)OC1C2[NH3+],0,GDB ChEMBL
12744,CN=C(NC(=N)OC)C(CO)C(=O)[O-],0,GDB ChEMBL
141853,CS(=O)(=O)N1CC(=N)NC(=O)C1,1,GDB ChEMBL
34168,Cc1ncsc(N)nc(O)ccncnc1N,0,GDB ChEMBL
216598,C[NH2+]C1(C)CN(CCC#N)C1,0,GDB ChEMBL
156012,CC(C[NH3+])OC(C)C(C)C(C)C(F)(F)F,0,GDB ChEMBL
287323,CCC12OCC(C1O)[NH+]1CC2(C(C)OC)C1,0,GDB ChEMBL
181731,C#CC(C#C)C(=N)OCC(O)CC[NH3+],0,GDB ChEMBL
20784,Cc1c(Cl)c(Cl)c(Cl)c2c1CCCC2=O,1,GDB ChEMBL
161061,CC(O)COC1CC2C3CC3C1[NH+]2C,0,GDB ChEMBL
375525,CNC1(C2CC(C)(O)CC(=O)N2)COC1=O,0,GDB ChEMBL
17591,CC(CC(O)C=O)C[NH+](CC1CC1)C(C)C,0,GDB ChEMBL
210246,CC[NH+]=C(N)CCNC(=O)CC,0,GDB ChEMBL
238041,CC#CCN1C(=O)C=C2NC(C)CC21,0,GDB ChEMBL
70338,CC#Cc1ncn2c1CC1(CCCC2)CC1,0,GDB ChEMBL
162885,CCC1=CCC2(C)CC3CCCCC3C2C1,1,GDB ChEMBL
274419,C#CC1CC([NH3+])C(O)C1C,0,GDB ChEMBL
194420,CCC[NH+]=C(C)NC(C)(C#N)C(N)C(C)O,0,GDB ChEMBL
350000,CC(C#N)=CCOC(=[NH2+])NCCO,0,GDB ChEMBL
93109,CC(C)CC1CCC(=O)C=CC(C)CC1,0,GDB ChEMBL
337412,CC(=[NH2+])NC1CCC(CO)N(C=O)C1,0,GDB ChEMBL
379687,C#CC(C)(C[NH3+])C(=[NH2+])NCCOC,0,GDB ChEMBL
234477,CCOC1CC(C)C2C(CO)C2C1,1,GDB ChEMBL
100748,CC#Cc1cscc1CC[NH2+]CCC(C)C,0,GDB ChEMBL
302419,CC1C2[NH2+]C(CC(=O)[O-])C1C2O,0,GDB ChEMBL
292213,C[NH2+]CCCOC12COC(C(O)C1[NH3+])C2[NH3+],0,GDB ChEMBL
334146,N=C(NC(=O)CCc1ccsc1)S(N)(=O)=O,1,GDB ChEMBL
333086,NC(=[NH2+])C(CC(O)CO)CS(N)(=O)=O,0,GDB ChEMBL
125563,CC(C)(O)C1NC(=O)NC=C1CC#N,0,GDB ChEMBL
85641,CC(C)(C)C1CCC2CC3CC3CC2CC1,0,GDB ChEMBL
228795,CCC1(C2CCC[NH+]2C)COCO1,0,GDB ChEMBL
358916,COC(C(C)C)C1C2C=CC1(C)CC2C,0,GDB ChEMBL
117423,NC(=O)NCC(O)C1C=CNC1=O,0,GDB ChEMBL
115978,CCC1[NH2+]CC(=O)C2C=CC1C(C)CC2O,0,GDB ChEMBL
26887,CC#CCCc1cc(CC)ccc1I,1,GDB ChEMBL
211148,O=C1CNC(S(=O)(=O)[O-])CCN1CCO,0,GDB ChEMBL
7389,COC1(C)CCC(C)C(C)C([NH3+])C(C)C1,0,GDB ChEMBL
195359,CC1CC2CC(O)C(C)C2C[NH2+]1,0,GDB ChEMBL
62772,CC1OC(=O)C2(CC2C)NC1C([NH3+])CO,0,GDB ChEMBL
397978,CCS(=O)(=O)C1C(C#N)CC1(C)NC(=O)NC,0,GDB ChEMBL
294259,CNC(NC)=[NH+][C-](C#N)C(N)=O,0,GDB ChEMBL
225330,CC(C(O)CC#N)n1cccn1,1,GDB ChEMBL
362607,CCC(=O)COCc1ccoc1,1,GDB ChEMBL
193201,CC1CC2CC3CCCC3C2[NH+](C)C1,0,GDB ChEMBL
181159,CCC(CC1C2C(C)COC12C)C(N)=O,0,GDB ChEMBL
79506,CNC(=[NH2+])CC#CCC(C)OCCO,0,GDB ChEMBL
135798,CC#CC(C)C(CC)OCC,1,GDB ChEMBL
248603,CCc1cc(N)cncsc(C)c1O,0,GDB ChEMBL
249486,CC#CC(=O)CCOC,1,GDB ChEMBL
112452,CNC1C(=O)OC2C[NH2+]C(c3cn(C)cn3)C21,0,GDB ChEMBL
43505,CC12OC1CC[NH2+]C2C(=O)C(=O)[O-],0,GDB ChEMBL
383731,CCC1CC=C(C(F)(F)F)CC(CC)C1,0,GDB ChEMBL
251900,CCC(C)C12CCCC(CC(=O)CC1)C2,0,GDB ChEMBL
265290,CC12C3[NH+]=C(N)N1C2C(O)CNC3=O,0,GDB ChEMBL
252641,COCC1CN(C)c2cc[nH]c2O1,1,GDB ChEMBL
116098,COCC12CCCC(CO1)C2OC(N)=O,0,GDB ChEMBL
83154,CC(C)C1(C)[NH2+]C1CCCO,0,GDB ChEMBL
340536,NC(=O)NC(=O)C12COC(=O)C(O)C1N2,0,GDB ChEMBL
252521,CC(C)OCC(C)C(C=O)C(N)=O,1,GDB ChEMBL
275623,COC(=O)CS(=O)(=O)NCC(=O)NCC#N,1,GDB ChEMBL
305271,CC1c2c(ccc(Cl)c2Cl)CC2CC21,1,GDB ChEMBL
369881,CCS(=O)(=O)N1CC1CCO,1,GDB ChEMBL
184294,CC(CC=O)CCC1CC([NH+](C)C)C1,0,GDB ChEMBL
1115,CCOC1C([NH3+])C(C(N)=O)C(O)C1(N)C[NH3+],0,GDB ChEMBL
375859,C#CCC1C(C)OCC2CCC1(C=O)CC2,0,GDB ChEMBL
321956,O=C1NC(CO)C2C(O)C[NH2+]C12,0,GDB ChEMBL
122713,CC1CCC2CC(C)C(C)C(O)C2(C)C1,0,GDB ChEMBL
292919,CCOC(=O)C1(C=O)C=C(C(N)=O)C(=O)N1,1,GDB ChEMBL
280861,CC[NH+]1C(C)C(C)C2CC3(CO3)CC21,0,GDB ChEMBL
290290,CNC(=N)N(C(=N)N)C(=O)OC,1,GDB ChEMBL
170104,NS(=O)(=O)CC(O)C1[NH2+]C(CCO)C1C[NH3+],0,GDB ChEMBL
333887,COC(=N)NC(=O)CC(N)=[NH2+],1,GDB ChEMBL
656,CCC(C)OCC(O)C1CCC1C(F)(F)F,1,GDB ChEMBL
267913,COC(=O)N1CC1C(O)(CO)C(C)C,0,GDB ChEMBL
9873,CCn1cc(C(=N)NC)c([N+](=O)[O-])n1,1,GDB ChEMBL
169387,[NH3+]C(CCO)C(O)c1ncon1,0,GDB ChEMBL
395905,N#CC1CC(CCNC(N)=[NH2+])(C(=O)[O-])OCO1,0,GDB ChEMBL
230494,C#CC1C[NH+](C)CC(=O)NC(CC)=CC1C,0,GDB ChEMBL
34857,CCC1C2CC(C2[NH3+])C1COC,0,GDB ChEMBL
396723,NC(=O)C1CC(CO)N=CO1,0,GDB ChEMBL
296633,CNc1cc2c(c(C)c1F)CC=CC=C2,1,GDB ChEMBL
330783,CCN1C(=O)C(C)(O)C(CO)=CC1(C)C#N,0,GDB ChEMBL
115029,CC1OCCCCCC2CC21,1,GDB ChEMBL
274215,CC1C[NH+]2CC1C(O)CC2C(N)=O,0,GDB ChEMBL
63109,CC1CC2CCOCC2C1O,0,GDB ChEMBL
383712,CC(C[NH3+])C(CO)C[NH+](C)C,0,GDB ChEMBL
352609,CC1C2C[NH+](C(C)C)C(C)C(O)C12,0,GDB ChEMBL
204298,Cc1cnc(O)c(F)c1,1,GDB ChEMBL
311342,CC1CC2NS(=O)(=O)CC1(C#N)C2C(=O)[O-],0,GDB ChEMBL
184897,C[NH2+]CC1(C(C)O)C(N)C1NC(=O)CO,0,GDB ChEMBL
34741,COC1OC(=O)C(=N)NC(CCO)C1C(C)[NH3+],0,GDB ChEMBL
254901,C#CC1(CO)CC([NH3+])CC(C)CCCCO1,0,GDB ChEMBL
5842,NC(=O)Nc1nc(N)c(O)c(=O)cc1N,0,GDB ChEMBL
103905,CC1(OCCCO)C=CCC1OC(N)=O,1,GDB ChEMBL
280660,CNC1C(=O)OC2CCOC21,1,GDB ChEMBL
20783,Nc1c(O)cc(F)c2c1C=CCCN2,1,GDB ChEMBL
337055,CCOc1c(C)cn2c1CC(C)CC(O)C2C,0,GDB ChEMBL
109594,CC1CC2(N)C(CO)OCC2N1C(N)=[NH2+],0,GDB ChEMBL
260136,C[NH2+]CC(C)([NH3+])C1CCN(C(=N)NC=O)CC1,0,GDB ChEMBL
289411,C[NH2+]CC1CC(O)CC(C(C)(N)C#N)C1[NH3+],0,GDB ChEMBL
338257,CCC1C2[NH2+]CCOC1C1OC21,0,GDB ChEMBL
130847,CCC1([NH3+])CC(COC(N)=O)N(C)C(=O)C1C,0,GDB ChEMBL
254908,C#Cc1cc(Cl)cc(C2CC2C#C)c1,1,GDB ChEMBL
141887,CNC(=O)C(O)C1CCOC1=N,1,GDB ChEMBL
275513,CCCC1CC2CC(CC)CC(C(C)C)C1C2,0,GDB ChEMBL
71683,C[NH2+]Cc1cccc(Br)c1-c1cnoc1,0,GDB ChEMBL
40422,C#CCC1(C)CC(C[NH+](C)C)CCC1C,0,GDB ChEMBL
4763,CCCOc1cc(Br)c2c(c1)CCC=C2,1,GDB ChEMBL
235596,CCC12C[NH+]3CCC1CC2CC3,0,GDB ChEMBL
186670,CC1CC2CC(CO)OCCNC1=[NH+]2,0,GDB ChEMBL
124546,CC1CC2(C)CCCCC2C2C[NH+]12,0,GDB ChEMBL
38929,CC(=[NH2+])NC1C(O)COC1C1CC1C,0,GDB ChEMBL
340474,CC1=CC([NH3+])CN2CC(=CC2=O)CCC1,0,GDB ChEMBL
95909,CC(C)[NH+]1CC2CC2C1C=CCO,0,GDB ChEMBL
5908,O=CNC(=O)Nc1nccc(Cl)n1,1,GDB ChEMBL
70797,CC(C(=O)[O-])C1C([NH3+])CCCC2OC21,0,GDB ChEMBL
182138,N#CCN1C=[NH+]C(CO)CC1,1,GDB ChEMBL
394313,NC(=O)C1[NH2+]C2COC3CC(O)CC(C3)C21,0,GDB ChEMBL
393962,CC#CC(C)([NH2+]CCC)C(C)C,0,GDB ChEMBL
151772,CCc1noc2c1NC(=O)C(C)CC2,1,GDB ChEMBL
17651,C[NH2+]Cc1ccnn1CC=O,0,GDB ChEMBL
342618,CN(C)C(=O)C1(C(O)C[NH3+])CC1,1,GDB ChEMBL
239113,CCC1C2CC3CCCC31C[NH2+]2,0,GDB ChEMBL
101061,CCN1CC(O)(CCO)CC[NH+]=C1C(C)C,0,GDB ChEMBL
9776,N=C1CN2C(=O)C([NH3+])CC2CO1,0,GDB ChEMBL
197461,COC1(C)CC1C(=[NH2+])N(C)CC(=O)[O-],0,GDB ChEMBL
126988,NC(=O)C1C2OC2C2OC2C1C(=O)[O-],0,GDB ChEMBL
294465,C#CCCC(C)C(C)CCCO,1,GDB ChEMBL
115028,CCN1C(=O)C2CCC([NH2+]2)C2OCC2C1C,0,GDB ChEMBL
325263,C#CC(C)C1CNC(=O)N1,1,GDB ChEMBL
305288,C#CCn1c(=[NH2+])[nH]c2cc(C)cc(C(C)C)c21,0,GDB ChEMBL
278859,CCC1C=CC(C)CCCC1CC,0,GDB ChEMBL
169087,C1=CC[NH+]2CCCC(OC1)C1CC12,0,GDB ChEMBL
307565,CCC(CO)CC[NH2+]CC1OCCO1,0,GDB ChEMBL
334165,O=C1COC(=O)N2C(=O)CN=C2N1,1,GDB ChEMBL
7795,CC([NH2+]C1CC1)C(C1CC1)C(F)(F)F,0,GDB ChEMBL
238035,C=C(CC(C)OCC)C([NH3+])C#CC,0,GDB ChEMBL
65613,CCCCCC1CC2CC(CC)C1C2(C)CC,0,GDB ChEMBL
394283,C#CC(C)CCC(C#C)CCc1ccncc1,0,GDB ChEMBL
288726,CCC(C)c1cc(Br)c(C)cc1CCCOC,1,GDB ChEMBL
203443,CCCCC(=O)C(C)C1(C)COC1C,0,GDB ChEMBL
350266,CCCNC(=O)C(C[NH3+])OC=N,0,GDB ChEMBL
122984,CC12C[NH2+]C(C(=O)[O-])C1C2[NH3+],0,GDB ChEMBL
19370,CCC(O)C1C2CCC(O)C21,1,GDB ChEMBL
48150,CC([NH3+])C[NH+]=C(N)NC=CCCO,0,GDB ChEMBL
254249,CC(C)(O)C(=O)c1ccoc1,1,GDB ChEMBL
275614,COCC(O)CC(=O)C1(C#N)CCCN1,1,GDB ChEMBL
184275,CC1=CCC2CC(C)C(C2)[NH2+]C1,0,GDB ChEMBL
314134,CC(O)C(O)C(O)COS(N)(=O)=O,1,GDB ChEMBL
260124,O=CCc1ncc(NCC[NH2+]CC(=O)[O-])cn1,1,GDB ChEMBL
284792,CCOCC(=O)CC(=O)NCC#CC(=O)[O-],0,GDB ChEMBL
132263,[NH3+]C1CCOCC1C(=O)[O-],0,GDB ChEMBL
380563,CC(C)(C)[NH2+]CC1CCC2(C[NH2+]C2)C1C#N,0,GDB ChEMBL
83152,CNc1c(S(N)(=O)=O)nc(N)c(Br)c1OC,0,GDB ChEMBL
346978,Cc1cccc2c1C(C)CCC2,1,GDB ChEMBL
45945,C#CC(=[NH2+])NCC1C[NH+](C)C1CCC,0,GDB ChEMBL
204675,O=C([O-])C1C2COC1C(C(O)CO)O2,0,GDB ChEMBL
383678,CN1CC2C(=O)OC2C1C(O)C[NH3+],0,GDB ChEMBL
127266,CNC(=O)OC1C(C(N)=O)[N-]S1(=O)=O,0,GDB ChEMBL
58473,N#CC1NCC(O)CC(C=O)(C=O)C1C(N)=O,0,GDB ChEMBL
56616,CCC(C)(C)c1ccc2c(c1Cl)NCCOC2,1,GDB ChEMBL
263208,C[NH2+]CC1C(CO)CC([NH3+])C1N,0,GDB ChEMBL
350262,NC(=O)N1CC([NH3+])C2(C1)OC2CNCC[NH3+],0,GDB ChEMBL
215425,O=C([O-])C1CCC2[NH2+]C1CC2O,0,GDB ChEMBL
121726,CC(CO)n1cc(CC[NH3+])c(COCC#N)n1,0,GDB ChEMBL
186676,CCCC1(CC)CC12CNCC([NH2+]C)C2,0,GDB ChEMBL
208577,CC1CC2(N)C([NH+]1C)C2(N)CC(=O)[O-],0,GDB ChEMBL
307577,C#CC1=CCCC1CC(CC)CC,1,GDB ChEMBL
36145,COCC12CC3CC[NH+]1CC3C2,0,GDB ChEMBL
298970,C[NH2+]C(C(=O)C1C=CCN1C)C(C)(C)CO,0,GDB ChEMBL
249475,CC1CC2(C(=O)N1)C1CCC12,1,GDB ChEMBL
699,CCC1CC2CC=C(C)C(C1)C(OC)C2C,0,GDB ChEMBL
376682,C#CC(C=C)=CC(C)CC(C)CC,1,GDB ChEMBL
221703,CCC1(OC)CC2C(C)C2C1C(=O)[O-],0,GDB ChEMBL
89677,N#CC1(C(N)C(=O)[O-])[N-]C(=O)C(O)C1O,0,GDB ChEMBL
244564,CCCC1CC(C)C2(C)CC(C)C(C)CC2C1,0,GDB ChEMBL
265484,CCCCC1(C)CC(C)CCCC1CC(C)C,0,GDB ChEMBL
303330,COC1C=C(C)C2C(CO)C2(C(=O)[O-])C1,0,GDB ChEMBL
149304,CCNS(=O)(=O)OCC(C)O,0,GDB ChEMBL
398953,CCC(O)CN(CC(C)OC)C(C)=O,1,GDB ChEMBL
366603,C=CCC1[NH2+]C2CC2C(C)CC1O,0,GDB ChEMBL
330049,Nc1nc(NC2CC2)c(C(=O)[O-])s1,1,GDB ChEMBL
102343,CCC(C)C1C(=O)C(c2nccs2)[N-]S1(=O)=O,0,GDB ChEMBL
193223,CCC1CC(CC)(CC(C)C)CCC1(C)CC,1,GDB ChEMBL
99593,N#CC(CN)C(=O)Nc1cc(N)no1,1,GDB ChEMBL
152026,Cc1ccc(Cl)cc1C1C2CCC1(CO)C[NH2+]2,0,GDB ChEMBL
208332,CC(O)C1C2CCCCC(CC2)CC1CC#N,0,GDB ChEMBL
45059,CC#CCC(C[NH2+]CC1CC1)C(C)(C)[NH3+],0,GDB ChEMBL
173175,CNC12C3CC(O)C1C2OCCC[NH2+]3,0,GDB ChEMBL
280684,C#CC(CO)(NC(C)=O)C(=O)OCCC=O,0,GDB ChEMBL
274102,NC(=O)CCC(O)(C=O)C1NC(=O)NC1CO,0,GDB ChEMBL
240507,C#CCC(CC)C1=CC(=O)N2CCC12,0,GDB ChEMBL
375699,C=CC(=C(C)C)C(CCCC)[NH2+]C,0,GDB ChEMBL
383978,CCC1C2CC(C[NH+]3CCCC13)N2,0,GDB ChEMBL
18351,NC(=[NH2+])C1NC(CO)C2COCC12,0,GDB ChEMBL
259489,CCC(=O)CC(C=O)(C(=O)N(C)C)C(C)O,0,GDB ChEMBL
101009,COCC1CN1C(=O)C=CC(N)=O,1,GDB ChEMBL
257478,NC1=[NH+]C(CC(=O)[O-])C2C(N)C2([NH3+])CCO1,0,GDB ChEMBL
290015,CC12CC([NH3+])CCC(O)C1O2,0,GDB ChEMBL
106638,C#CC(CCO)CC1(C)CCC(CC)C([NH3+])C1,0,GDB ChEMBL
112355,CCCC1CC(C(N)=O)N2CC12,0,GDB ChEMBL
260530,CC(=O)NC1C(CNC=O)OC(=N)C1C,0,GDB ChEMBL
362204,CCCC1(C#CC2CC2)CC1,1,GDB ChEMBL
248656,CCc1c(Cl)ccc([N+](=O)[O-])c1Cl,1,GDB ChEMBL
252542,Cn1ncc2c1C([NH3+])C(C)(C)N2,0,GDB ChEMBL
88172,CCOC1CCC2C(C)CC3CC32C1,0,GDB ChEMBL
90303,CCC1CC([NH3+])C(O)C(C)C[NH+](C)C1C,0,GDB ChEMBL
127017,CN1C(=O)C23CCCC2CCC3CC12CC2,0,GDB ChEMBL
121499,CCCc1c(C2CC2)cc(C)c(I)c1CC,1,GDB ChEMBL
118495,[NH3+]CCCCCCc1c[nH]cn1,0,GDB ChEMBL
226267,CC1(NC(N)=O)C(=O)NC(=O)C1C[NH3+],0,GDB ChEMBL
324303,CC(=O)NC1C2CCC34COC1C3C24,0,GDB ChEMBL
218300,CC(C=C1CC2CC(C1)[NH2+]2)CCO,0,GDB ChEMBL
202520,CC1[NH2+]C(CCO)C(C)C1[NH3+],0,GDB ChEMBL
355774,CC1OCC2C(C(=O)[O-])C1C=CC(C)[NH+]2C,0,GDB ChEMBL
375572,N#CC(C#N)(C=O)C(=O)[N-]C(N)=[NH2+],0,GDB ChEMBL
331158,C#CC#CC(C)(OCC)C(C[NH2+]C)C(=O)[O-],0,GDB ChEMBL
227904,[NH3+]C1CC2CCCC(CCC(=O)[O-])(C1)C2,0,GDB ChEMBL
168444,CCCn1c(C)cc(C(O)C#N)c1C1CC1,1,GDB ChEMBL
221120,CC1C([NH3+])C12NC(=O)N(C)C2C#N,0,GDB ChEMBL
274053,Cc1csc(C(C)c2cccc(C#N)c2)c1C,1,GDB ChEMBL
121973,NC(=O)C12CC1CC(O)CCNC2=O,1,GDB ChEMBL
26954,CCC(=O)C12CN(CC)C(=O)[C-]1S(=O)(=O)C2,0,GDB ChEMBL
308322,CC[NH+](CC)C1CC1C1(C)CO1,0,GDB ChEMBL
127199,CC1([NH3+])C2C(=O)NCC2C(C)(CO)C1O,0,GDB ChEMBL
330340,O=C([O-])C1NCCC2C[NH2+]C21,0,GDB ChEMBL
79564,Cc1nccc2c1N(C(N)=O)CCS(=O)(=O)N2,0,GDB ChEMBL
227775,Cc1nc(O)cc2c1C(C[NH3+])NC2,0,GDB ChEMBL
320433,NC(=O)C1CC1(O)C(O)Cc1nnn[n-]1,0,GDB ChEMBL
112099,CCC(C)C1N(C)C1(C[NH3+])C(O)C(=O)[O-],0,GDB ChEMBL
334054,CC1=CCCC(=O)NC2CC12,1,GDB ChEMBL
96109,CC(C)C(C)[NH2+]C1C(=O)CC2(C)C=CC1O2,0,GDB ChEMBL
353554,CC(C)(C)C1CN=CN1C(CN)C(N)=O,1,GDB ChEMBL
262318,CC1CCC(C)C2CCC1C(C)C2C,0,GDB ChEMBL
309652,CC[NH2+]C1CC1(C[NH3+])OCC,0,GDB ChEMBL
325866,C[NH2+]CCc1cc(C(N)=O)co1,1,GDB ChEMBL
34896,CNc1cc(O)c(C2(C)CCC2)c(Cl)c1,1,GDB ChEMBL
244297,CCC(C)C1C2CCC1(C)CC(C)[NH2+]C2,0,GDB ChEMBL
17079,Oc1nccc(Cl)c1Cl,1,GDB ChEMBL
83023,N#CC1NC(C(=O)[O-])C2C(=O)COC12,0,GDB ChEMBL
1953,C#CCCC(C)(C#N)C1NC(=O)CC1(C)O,0,GDB ChEMBL
84504,C#CCC(C(C)CC)C(O)(C#CC)CC,1,GDB ChEMBL
27787,CCC(C)C1[NH2+]CC1N,0,GDB ChEMBL
33152,C#CCC1CC1C(CC)OC,1,GDB ChEMBL
252529,CCCC1CC2C=CCC2(C)C1(C)C,0,GDB ChEMBL
120016,NC(=O)NC(C=NO)C[NH+]1CC(C(=O)[O-])C1,1,GDB ChEMBL
385373,Cc1ncc(I)cc1COC(N)=O,1,GDB ChEMBL
374016,CNC=[NH+]CC[NH2+]C(C)CC(C)CO,0,GDB ChEMBL
391636,CN1CC[NH2+]CCOC2CCC2(O)CC1=O,0,GDB ChEMBL
251055,CC12COCC(C1)C(O)C2O,0,GDB ChEMBL
155181,CC1=CCC2C(C)C(C)C(C1)C2CO,0,GDB ChEMBL
292227,CCC1([NH2+]C(C)C=O)C(CCOC)C1(C)O,0,GDB ChEMBL
71647,CC1(C(C#N)C(=O)C(=O)[O-])C[NH+]=C(N)N1,0,GDB ChEMBL
9799,CC(O)C1CC2c3occc3CCC2[NH+]1C,0,GDB ChEMBL
114761,CC1CCC(C(C)C(N)=O)[NH2+]1,1,GDB ChEMBL
331451,[NH3+]C1C2CN3CCOC1C3CCO2,0,GDB ChEMBL
21873,CC=CCC(=NCC[NH2+]CC)OC,0,GDB ChEMBL
130404,CCC(C)C(COC)C1CCC1,1,GDB ChEMBL
304494,CC1NC(=O)C(O)CN2C(COC(N)=O)C12,0,GDB ChEMBL
273454,CC(C)CCC1CC(C)C(C(C)[NH3+])C1C,0,GDB ChEMBL
250625,CC1(O)c2cc(=O)[nH]cc2CC1([NH3+])CCO,0,GDB ChEMBL
321949,C#CC1C(C#N)[N-]C(=O)C1(O)C[NH3+],0,GDB ChEMBL
243901,CCC12CC=C(CCCCCC1)C[NH2+]C2C,0,GDB ChEMBL
258714,C=CCC1(C)CC([NH2+]CC2CC2)C1,0,GDB ChEMBL
8777,CC1C2CC=CCCC1(C)C[NH2+]2,0,GDB ChEMBL
320796,COC1CCC(C)C1C,1,GDB ChEMBL
80441,CC[NH+]1CCC([NH3+])C2C1C2(CC)CC,0,GDB ChEMBL
319799,CC#CCC(CCCC)[NH+]1CCC1,0,GDB ChEMBL
120877,CCC1(C)CC2CCCC(=O)C(C1)[NH2+]2,0,GDB ChEMBL
316143,CC(=NO)C1CC(O)C(=O)N(C)C(C)C1,0,GDB ChEMBL
215682,CCC[NH+]=C(N)OCC1(N)CC(C[NH3+])CC1[NH3+],0,GDB ChEMBL
122719,CC1CCCC2(C(F)(F)F)CC(CO)CC12,0,GDB ChEMBL
284843,NC(=O)C(CO)CCO,1,GDB ChEMBL
142958,CC1[NH+](C)CCNC(C[NH3+])CC2CC21C,0,GDB ChEMBL
380302,CC#CC(C)C(C)(C)C[NH2+]C1CCCC1,0,GDB ChEMBL
365812,c1cncc(C2CC2)c1,1,GDB ChEMBL
44315,CCC(=N)NC(=O)C(=O)C(C)N(C=O)CC,1,GDB ChEMBL
168472,CC1(c2ncc(Cl)c(O)n2)CC1,1,GDB ChEMBL
391793,CCC1[NH2+]C2CC(C1C)C(O)(CC(=O)OC)C2,0,GDB ChEMBL
309801,CC(C)CCC(=O)C1C(C)[NH2+]CCC1C(C)C,0,GDB ChEMBL
126937,CC(=[NH2+])N1CCC(O)C(=O)C(C(C)O)C1C=O,0,GDB ChEMBL
221724,C#CCCC1(C)CC(CC)C(COC)[NH+](C)C1,0,GDB ChEMBL
76823,CCC1C=CC([NH3+])(CC(C)[NH+]2CCC2)C1,0,GDB ChEMBL
53853,CCCC1(C)C=CC2C(CN(C)C)[NH2+]C2C1,0,GDB ChEMBL
76076,[NH3+]CC12NC(=O)OC1C(O)C([NH3+])C2CO,0,GDB ChEMBL
209459,Cc1ncsc1CC1CC[NH+]1C,0,GDB ChEMBL
38509,CCC1C(O)C2C(CO)CC[NH2+]C1C2N(C)C,0,GDB ChEMBL
29714,CC1C(C[NH3+])CCC1C(F)(F)F,0,GDB ChEMBL
175838,CCC(O)S(=O)(=O)NC(CO)C(=O)NC,0,GDB ChEMBL
19626,CCC1CCC(c2ccc(C(N)=O)[nH]2)CC1,1,GDB ChEMBL
16518,CCC1CC2CC2CC(C)C1C(C)(C)C,0,GDB ChEMBL
366008,CC(=O)OC1(CO)C(=O)C(=O)NC1C(O)C#N,0,GDB ChEMBL
324078,COC(=O)N1C=NCCC1C,1,GDB ChEMBL
51339,C#CCCCN(C)C(C=O)C(N)=[NH+]C,0,GDB ChEMBL
182513,CC(C)C12CC(CCCC1O)C2,0,GDB ChEMBL
305095,[NH3+]C1CC2C=CC(C1)N(C=O)CC2,0,GDB ChEMBL
71293,C=CC(CC1C=CC(C)(C)C1)OC,1,GDB ChEMBL
353228,Cc1c(Br)cc(Br)c2c1CC(C)CC2,1,GDB ChEMBL
356557,NS(=O)(=O)c1cnc2ncnc-2cc1O,0,GDB ChEMBL
361179,OCCCc1c(O)cc(I)cc1CCO,1,GDB ChEMBL
81003,CCCC(CCC)C1CC(CC(C)(C)C)C1,0,GDB ChEMBL
314923,CC1CNC2CC(O)C(C)(C[NH2+]1)C2C[NH3+],0,GDB ChEMBL
115596,C#CC1CCC(O)C(C(N)=O)O1,0,GDB ChEMBL
259631,C[NH2+]C(CO)C1=CNC(=O)C1N,0,GDB ChEMBL
66391,CC1CNC(C#N)C(C(C)O)N1,0,GDB ChEMBL
151124,COCC1C2C=CC(C)C1(C)CCC2,1,GDB ChEMBL
116657,N#CC(OCC(N)=O)C(O)CO,1,GDB ChEMBL
355302,N#CCC(=N)N(C=O)CC[NH3+],0,GDB ChEMBL
148900,CC1[NH2+]CC2COC21CCC[NH3+],0,GDB ChEMBL
350659,CCC(C)C1CC2CCC[NH2+]C(C2)C(C)(C)C1,0,GDB ChEMBL
37143,CNc1c(C[NH3+])c(Cl)c([O-])c(Cl)c1OC(C)=O,1,GDB ChEMBL
1982,C#CC(CO)C(CC(=O)[O-])OC=O,0,GDB ChEMBL
170436,CN=c1cc(NC(N)=O)c([N+](=O)[O-])ccc1O,0,GDB ChEMBL
352238,COC1C2(O)CC(O)C([NH3+])C12[N-]S(C)(=O)=O,0,GDB ChEMBL
250631,CCOC1C2CCC(C)(CC2[NH3+])C1[NH3+],0,GDB ChEMBL
18857,C[NH2+]C1C(=O)NCC1(C)O,0,GDB ChEMBL
105972,N#CC1(CN)COCCC1C(=[NH2+])NCC(N)=O,0,GDB ChEMBL
209688,CC(CO)CC(=O)C(C(C)O)C1(C)CC1,0,GDB ChEMBL
334349,C[NH2+]C12CCCC=C1C(CC(N)=O)C2O,0,GDB ChEMBL
197236,CCC1Cc2cc(OC)c(I)cc2C=C1C,1,GDB ChEMBL
279078,C#CC1(C(=O)[O-])OC(C(=O)CC)C(=N)NC1C,0,GDB ChEMBL
11409,C#CC1C(C)(C(=O)[O-])CC[NH2+]C1(CC)C(N)=O,0,GDB ChEMBL
71250,CC1COC(=O)C2CC(C)(C)OC2(C[NH3+])C1,0,GDB ChEMBL
131889,CC1(C)CC1(O)C(=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
42279,CC(CCC1CNc2ccc(Br)cc21)[NH+](C)C,0,GDB ChEMBL
97127,CC1(C)CCCCC2CC1C2,0,GDB ChEMBL
310284,C[NH+]1CC2CC3CC2C1C=CC3O,0,GDB ChEMBL
331505,O=C([O-])C1C2CCCN21,0,GDB ChEMBL
47575,C#Cc1c(C)ccc2ccc(I)cc12,1,GDB ChEMBL
354628,CC1c2c[nH]cc2C(C)C1[NH2+]CC1COC1,0,GDB ChEMBL
398938,CC(=O)C1[NH+]=C(N)C2CC(CO)OC21,0,GDB ChEMBL
144546,CCC(C)C12CCCCCC=CC1C2,0,GDB ChEMBL
142358,CC1CNS(=O)(=O)CC2C(C1O)N2C(N)=O,0,GDB ChEMBL
217048,C#CCCc1cc(Cl)c(Cl)c(C#C)c1Cl,1,GDB ChEMBL
243783,C#CC(Cc1cccc(I)c1)C(F)(F)F,1,GDB ChEMBL
292949,CC([NH3+])C(O)CC1NC(=O)NC(=N)OC1CO,0,GDB ChEMBL
375180,CC1(C)Cc2c(I)cccc2C(C)(C)C1,1,GDB ChEMBL
191367,CN(C(=O)NC(N)=[NH2+])C1CCC(=O)C1,0,GDB ChEMBL
269340,C[NH2+]C1(COC)CC2C=CC(C1)C2(C)O,0,GDB ChEMBL
39822,CC1(C(O)CO)CC(c2cnc(N)s2)C1,0,GDB ChEMBL
90323,CC1CCOC(CC2CC2)CC1[NH3+],0,GDB ChEMBL
103437,CC1[NH2+]C2C(O)CNC(=O)C12,0,GDB ChEMBL
259601,CN1C(C=O)C=CC1C=O,1,GDB ChEMBL
146030,CC1=CNS(=O)(=O)CCCOC1=O,0,GDB ChEMBL
124214,CCCC1(CC)CC(C(C)(C)C)CC1CC,0,GDB ChEMBL
89098,CC12CC([NH3+])C(CN(C(N)=[NH2+])C(N)=[NH+]1)C2CO,0,GDB ChEMBL
207384,N#Cc1[nH]ncc1CNC(N)=O,1,GDB ChEMBL
363225,CCC1(C=O)CCC2CC([NH2+]C)C(O1)C2O,0,GDB ChEMBL
307582,CCCCC1CC(C)C2C(CC)C12,0,GDB ChEMBL
99130,CC1=CCC(C)C=CNC1=O,0,GDB ChEMBL
101892,Oc1nc(-n2cnnn2)ncc1F,1,GDB ChEMBL
221946,C[NH2+]CC1COCC(C)=CC1C#N,0,GDB ChEMBL
195259,CC1c2c(cc(C#N)n2C(C)C)CN1C(N)=[NH2+],0,GDB ChEMBL
385402,N#CC1C#CCNC(=O)NC2CN1C2,0,GDB ChEMBL
61984,CC[NH2+]CC1C2C(CC)CC(C2C)N1C=O,0,GDB ChEMBL
653,CC(C)(CCC1([NH3+])CCC1)C1CCCO1,0,GDB ChEMBL
207377,O=C1NC2CNS(=O)(=O)CC2C2OC12,0,GDB ChEMBL
217688,N#CCC(N)C1CC2(O)CN1C2,0,GDB ChEMBL
171278,CN(C)C(=O)C(CCCC=O)C1CN1,0,GDB ChEMBL
277414,[NH3+]CC1(O)C2NC(=O)C1C(O)C2O,0,GDB ChEMBL
71432,C=C(CC#CCO)C(=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
190222,CC#Cc1c(C2CC2)ccc(F)c1F,1,GDB ChEMBL
85022,Cc1cc(N2C(C=O)CS2(=O)=O)ncn1,0,GDB ChEMBL
289979,CCCC1(C)CC2C3C[NH+]1CC32,0,GDB ChEMBL
250612,CCOc1ccnc2c1OCOCCC(=N)N2,1,GDB ChEMBL
62113,CNc1c(C)cnn1C1(C#N)C2CCCC21,0,GDB ChEMBL
39952,C[NH2+]CCNS(=O)(=O)C(=O)CC(C)O,0,GDB ChEMBL
370380,NC(=O)OCC1(C[NH3+])NC(=O)NCC1O,0,GDB ChEMBL
1075,CC[NH+]1CC(C)CC(C)(OC)C1,1,GDB ChEMBL
235565,N#CC(O)CC1(CC[NH3+])OC(=O)N(C=O)C1=O,0,GDB ChEMBL
246942,CCN1CCc2c(Br)cccc2C1=O,1,GDB ChEMBL
271587,CCC1CC(O)CC1(C)[NH3+],0,GDB ChEMBL
65624,CC1CC2CC(C1)C(C)CC2C,1,GDB ChEMBL
875,CN1CC([NH3+])C2C(C([NH3+])C(O)C1)C2(O)CO,0,GDB ChEMBL
189781,C#CCCC(C)(C)C1C(C)C2CCCC1C2C,0,GDB ChEMBL
252520,CC1(CC2CCCC(O)CC2CO)C[NH+]=CN1,0,GDB ChEMBL
78635,CCC(OC)C(C[NH3+])(NC(=O)CO)C(C)[NH3+],0,GDB ChEMBL
97733,N#CCC(N=C(N)N)C(O)C(O)CC=O,0,GDB ChEMBL
292286,CC12C[NH2+]CC1OC(CC(=O)[O-])C(=O)C2,0,GDB ChEMBL
355826,[NH3+]C1CNC2C(O)CC2NC1=O,0,GDB ChEMBL
399018,C#CC(O)CNC(=O)CC,1,GDB ChEMBL
275534,Cc1cc(N)c(-c2ncnn2C)c(N)[nH+]1,0,GDB ChEMBL
355793,CCCNc1nnn(C)c1O,1,GDB ChEMBL
381493,C#Cc1c(O)ncc2ccc(=O)[nH]c12,1,GDB ChEMBL
374020,CC1=C(C#N)C2OC1C(CO)NC(=O)C2O,0,GDB ChEMBL
156135,CC(C)(C)[NH+]1CCOC(CO)=NC(CO)C1,0,GDB ChEMBL
225423,CCCC1=CCC(CC)CC1(C)C,1,GDB ChEMBL
299998,[NH3+]CC(O)C1C[NH2+]CC1CCO,0,GDB ChEMBL
353527,C=CC=CCc1ccc(C)cc1C,1,GDB ChEMBL
271355,[NH3+]CCCC([NH3+])C1CCO1,0,GDB ChEMBL
273631,[NH3+]CC1(O)C2C(C(=O)[O-])NS(=O)(=O)C21,0,GDB ChEMBL
11227,C#CC(C)CC(C)Nc1cc(N)cn(C)c1=O,1,GDB ChEMBL
13881,CC(C[NH3+])CC1(C[NH3+])CCC([NH3+])C(C(=O)[O-])N1,0,GDB ChEMBL
3019,COC(CCC1[NH2+]CC[NH2+]C(C)C1C)C(C)[NH3+],0,GDB ChEMBL
305313,CC(O)C(NC(N)=[NH2+])S(=O)(=O)CCC#N,0,GDB ChEMBL
181669,COCCC(C)CCc1ccncc1F,1,GDB ChEMBL
230758,CNC(=O)c1sc(C[NH3+])nc1CC(C)[NH3+],0,GDB ChEMBL
29454,Cc1cncc(CCO)ncnc(C)n1,0,GDB ChEMBL
29443,CC(OC=N)C(CO)NC(=O)NC(N)=[NH2+],0,GDB ChEMBL
50913,CN1CC(CC(C)(C)C)C(C#N)=CC1=[NH2+],0,GDB ChEMBL
175697,CCC12CS(=O)(=O)NC1C(NC(N)=[NH2+])C2C,0,GDB ChEMBL
355306,CC12CC(C1)C1=CCc3cccc(Br)c3C12,1,GDB ChEMBL
350927,C#CCC(CC(CC)CC)CC1CC1,1,GDB ChEMBL
38763,NC(=O)OC1CC2[NH2+]C1C2CO,0,GDB ChEMBL
279995,NC(=O)OC(C[NH2+]CC=O)C(=O)[O-],1,GDB ChEMBL
118471,CC(=O)NC1CCNC=C1C=O,0,GDB ChEMBL
42600,CC(=O)NCC1OC(N)=NC1COC(N)=O,1,GDB ChEMBL
48009,N#CC(O)C12CNC(=O)CC1OC(N)=N2,0,GDB ChEMBL
181612,[NH3+]C(CO)C1C=CCC(CCO)CC1,0,GDB ChEMBL
383101,CC(=O)NC1C(O)C1(O)C(O)CO,0,GDB ChEMBL
319156,C[NH+](C)C1CC2C(O)C=CC2(C)C1=O,0,GDB ChEMBL
287046,CC1C2CC1c1cc(Cl)c(Cl)cc12,1,GDB ChEMBL
201736,CC(N)C(=[NH2+])NC1(C#N)CC1,0,GDB ChEMBL
50291,CC1NC(=O)N2C(C(=O)[O-])C([NH3+])CC12CO,0,GDB ChEMBL
272579,CC1OC(C)C2C(=O)C1C1CC12,0,GDB ChEMBL
16035,CCC(C1C2CCCCCC1CC2)C(C)(C)C,0,GDB ChEMBL
6541,CCCC1(O)CC2CC([NH3+])C(C1)C(C)C2CC,0,GDB ChEMBL
316138,C#CCCC1C2CCC1(C)C[NH2+]2,0,GDB ChEMBL
113512,C=CCC(=O)C1[NH2+]CC1(C)COC,0,GDB ChEMBL
166413,CCCCc1c(C[NH2+]C)nc(C)c(F)c1NC,0,GDB ChEMBL
97148,CCC1(C[NH3+])NC(=O)NCC1(N)C(=O)[O-],0,GDB ChEMBL
148791,CCC(CO)NC(=[NH2+])CO,0,GDB ChEMBL
228482,CC1C([NH3+])C(=O)NC1c1sc(=O)[nH]c1[O-],0,GDB ChEMBL
334732,C=C1C2CCC1C1(C)CCCCC21,0,GDB ChEMBL
33172,CC1CC2(C)CCOC2C1C[NH3+],0,GDB ChEMBL
51059,COCC[NH+]=C1NCC(N)C1N,0,GDB ChEMBL
347883,NC(=O)C1N2CC1(CO)C2,1,GDB ChEMBL
6828,CC(=N)Oc1cn(CC(=O)[O-])cc1S(C)(=O)=O,1,GDB ChEMBL
317153,CCCN(C=[NH+]CC)CCO,0,GDB ChEMBL
6520,C[NH+]1CC=CC1CCCOC=O,0,GDB ChEMBL
13173,CNc1ccc(C(CO)C(C)OC(C)=O)nc1,1,GDB ChEMBL
106642,C=CCCC12CCC(CC1)CC2C,1,GDB ChEMBL
117343,CCC1(C)C[NH+]=C(N)N1,0,GDB ChEMBL
67371,CC12CC(C[NH3+])NC3(C)C(C(=O)O1)C23,0,GDB ChEMBL
103541,N#CC1=CC(=O)NC12CC(O)C2,0,GDB ChEMBL
70869,C#CC1(C(N)=O)C(C)CN(C)C1(C)C#N,0,GDB ChEMBL
43929,CNc1nc(OCCCC#N)cs1,1,GDB ChEMBL
46918,C1=Cc2c(ccc3cc[nH]c23)NC1,1,GDB ChEMBL
358216,CC(C[NH3+])C1CC2(C)CC([NH3+])CC1C2,0,GDB ChEMBL
53837,CCC1=CC(C)Cc2c1ccc(F)c2C,1,GDB ChEMBL
70813,[NH3+]C1C(O)C2CNC(=O)C(N2)C1O,0,GDB ChEMBL
144553,CCC1C=CC[NH+](C)C(C)C=C1,0,GDB ChEMBL
40425,CC1C(C#N)CC2OC21,1,GDB ChEMBL
37307,CC1=CCCC1c1cc(F)c(C)cc1F,1,GDB ChEMBL
195493,C#CCCC1CC(C)N1C(=O)NC,1,GDB ChEMBL
199432,O=C1COC2C(O)C(O)C(O)C2N1,1,GDB ChEMBL
332331,O=C1COc2nccnc2CC2(CC2)CN1,1,GDB ChEMBL
28290,C#CC(C)C1CC2CCC1(C)C2CCOCC,0,GDB ChEMBL
23970,C#CC(=O)OC(C#N)C1CC(=O)NC1COC,0,GDB ChEMBL
207265,CC1CC=CC[NH2+]CC2(CC2)CC1C,0,GDB ChEMBL
19358,C=C(C)C1C[NH2+]CCC1C(C)OC,0,GDB ChEMBL
317729,CC1C=CCC(C)(CCC(C)(C)C)C1,0,GDB ChEMBL
106990,[NH3+]C1CNC(CS(=O)(=O)[O-])C([NH3+])C1,0,GDB ChEMBL
354127,C#CC1C(CC2CC2)=CCCC1CCCC,1,GDB ChEMBL
184227,COC(CCCC1CO1)C(O)C[NH3+],0,GDB ChEMBL
334117,NC(=O)C1N=C(N)C=CCOC1=O,0,GDB ChEMBL
199463,CCn1nnc(NCC([NH3+])COC)n1,1,GDB ChEMBL
130412,CC1(O)CC(C#N)N(C(=N)CC#CCO)C1,1,GDB ChEMBL
247523,CN1CC2CC([NH3+])C3C1C23C(N)=O,0,GDB ChEMBL
101877,COCC(O)c1conc1CO,1,GDB ChEMBL
42297,Cc1ccc(F)c2c1CC1C(C)C2C2CC12,0,GDB ChEMBL
113522,CC12C3CCC(CO)C1C2C[NH2+]3,0,GDB ChEMBL
393933,CCC1(NS(C)(=O)=O)CN(C(N)=O)C1=O,1,GDB ChEMBL
311008,C#CC(COC)C1CCN1CC[NH3+],0,GDB ChEMBL
204440,CCC1C(O)CC2C1C2(C)NS(C)(=O)=O,0,GDB ChEMBL
79268,CC1C(=O)CC(C)(C)CC=C2C[NH+](C)CC21,0,GDB ChEMBL
166436,Cc1ccn2cc(Cl)cc(CC3(C)CC3)c12,1,GDB ChEMBL
133300,C[NH+]=C(NCC(N)=O)c1c(N)cc(O)cc1I,0,GDB ChEMBL
46875,CCC(CC(=O)[O-])n1cc(F)c(=N)nc1C[NH3+],0,GDB ChEMBL
277901,CC1=CCCC(C)CC2OC(C1)CC2O,1,GDB ChEMBL
362564,CCC1=CCc2c(ccc(OC)c2C)CC1,1,GDB ChEMBL
392520,CCCCC1C2C[NH2+]CC1C2C,0,GDB ChEMBL
51067,CC1CCCC2C=C(C1=O)C(=O)N(C)C2,0,GDB ChEMBL
25169,CC1C([NH3+])(CCO)C2NC(=O)NCC1(O)C2O,0,GDB ChEMBL
124268,C#CC[NH2+]C1CC(O)C2CC(OC)C1C(=N)O2,0,GDB ChEMBL
354468,CC(=O)NC1=NCC2CC(O)(C2)C(=O)CO1,0,GDB ChEMBL
306302,CCn1ccc2occ([O-])c21,0,GDB ChEMBL
16002,COC(C(=O)[O-])C(N)C(O)C(N)=[NH2+],0,GDB ChEMBL
61257,CC(C)(C[NH3+])OCC1CC(NC(N)=O)C1O,0,GDB ChEMBL
304349,CCC1=CCC[NH2+]CC(N)C([NH2+]C)C1,0,GDB ChEMBL
76486,CC1C[NH+]2CCCC1CC2C,0,GDB ChEMBL
339071,CC(=O)NCCS(=O)(=O)[N-]C(C#N)C=O,0,GDB ChEMBL
316317,CC([NH3+])C(=O)N1C=CCC(C#N)=C1,1,GDB ChEMBL
228373,CCCOCC1CC2C([NH2+]1)C1C(C)C2C1C,0,GDB ChEMBL
252684,CCC1C(CO)C2OC2C1CC#N,1,GDB ChEMBL
396710,COCC(N)(C[NH3+])C(=O)NC(=N)NCC#N,0,GDB ChEMBL
204855,CCC(CC)C[NH2+]C1C=Cc2cnoc2C1,0,GDB ChEMBL
84975,CCC([NH3+])C1CC(C)(C)C(CC(C)C)CC[NH2+]1,0,GDB ChEMBL
325885,COc1nc(Cl)cc([N+](=O)[O-])n1,1,GDB ChEMBL
366590,CC(CC#CCO)COC=O,1,GDB ChEMBL
148325,CC12C[NH+](C1)C(C(=O)[O-])CCO2,1,GDB ChEMBL
40878,C#CC1CCC(C)=CCCC1CC(F)(F)F,0,GDB ChEMBL
84551,COC1C2C=CC3C2CCCC31,0,GDB ChEMBL
255100,C#CC([NH3+])(CO)CCC(C)[NH3+],0,GDB ChEMBL
325271,C#CCNC(=[NH+]CC#C)C(C)CCCCCC,0,GDB ChEMBL
306014,CCn1cc(N)c(C(C)C)c1C,1,GDB ChEMBL
50133,CC1C([NH3+])CC2C3OCCC3C[NH+]12,0,GDB ChEMBL
380351,Cn1nccc1N1C2CC1C2,1,GDB ChEMBL
62528,CC1(C#N)C(=O)C(=O)[N-]CC1(O)CO,0,GDB ChEMBL
121467,C=CC1C=C(CC(C)C)CCCO1,1,GDB ChEMBL
173170,NC(=[NH2+])NC1COC2(CCO)CC12C=O,0,GDB ChEMBL
176401,CCNCC(=O)OC1COC1=O,1,GDB ChEMBL
155784,[NH3+]C1C(CO)CC(=O)NC2CC21,0,GDB ChEMBL
296402,CCC1Cc2c(O)c(C)c(Cl)c(C(C)O)c2C1,1,GDB ChEMBL
331718,C[NH+]=C(N)NC(N)=Nc1cc(OC)nc(N)n1,0,GDB ChEMBL
372649,CS(=O)(=O)CC1(O)CCOC1=O,1,GDB ChEMBL
24305,C[NH2+]C(C)CC(N)C1CN(C)C(=[NH2+])N1,0,GDB ChEMBL
175516,CCCCC1CCC2C(C)[NH2+]C1C2C,0,GDB ChEMBL
218822,CCC1(CC)CC[NH+]2CCCN1CC2C(C)C,0,GDB ChEMBL
29706,CC(C([NH3+])CN)C1C(=O)OC2CC21,0,GDB ChEMBL
341348,N#CC1=CCCCCC=CC=C1,0,GDB ChEMBL
260536,C#CC(C)[NH+]1CC2CC(C2)C1,0,GDB ChEMBL
89392,CNC(C(N)=O)C(N)C[NH2+]C,0,GDB ChEMBL
230406,CS(=O)(=O)NCCOC(=N)COCC(N)=O,1,GDB ChEMBL
87643,CC1C2C3C[NH2+]CC(C[NH+]1C)C32,0,GDB ChEMBL
692,C[NH+]=C(CO)NCC(OC(C)=O)C(C)O,0,GDB ChEMBL
337980,[NH3+]CC(C[NH3+])OC(=O)c1cc([O-])co1,0,GDB ChEMBL
70853,NC(=O)C1(CO)OC1C[NH2+]C1CC1,0,GDB ChEMBL
357617,CC(O)C1CCCNC(=O)C2COCC(C)C21,0,GDB ChEMBL
299609,C#CCC1(CO)C[NH2+]C(C)C1,0,GDB ChEMBL
95547,CCC(C)(O)C1C(CC(N)=O)C(=O)N1C,0,GDB ChEMBL
228878,O=C1COCC=CC#CCN1,1,GDB ChEMBL
115433,C#CC(C)C([NH2+]C1CC2CCC1C2)C(C)(C)C,0,GDB ChEMBL
30351,CNS(=O)(=O)CC(C#N)OC(=O)N1CC1C,1,GDB ChEMBL
370326,C[NH+](C)C1C2C(O)COC21C,0,GDB ChEMBL
317770,O=C1C(=O)N2CC3CCC(O)C1C32,0,GDB ChEMBL
107062,CC(C)C1CCCC2C(O)CC1C2(C)C,0,GDB ChEMBL
141988,CCCC1CC(C)CCCC2CC2C=C1C,0,GDB ChEMBL
26558,CCCN(CC[NH3+])c1c(C)n[nH]c1C(=O)OC,0,GDB ChEMBL
190531,CCN1C2C(CO)NC(=O)C2CC1(C)C(C)[NH3+],0,GDB ChEMBL
305602,CCC(CC)Cc1c(O)cccc1F,1,GDB ChEMBL
228783,C#CCC1CCC[NH+](CC#C)CCCC1(C)C,0,GDB ChEMBL
177105,CNC(=O)OCC(=[NH2+])N1CC1,0,GDB ChEMBL
99458,CN(C)C(=O)C1(C)CNC(=[NH2+])CO1,0,GDB ChEMBL
354375,COCC1=CC(C[NH3+])CC1,0,GDB ChEMBL
318344,[NH3+]C(CO)CNC(=O)Nc1nc[nH]n1,1,GDB ChEMBL
352840,CC(C[NH3+])N1CC(C[NH3+])C1,0,GDB ChEMBL
362361,N#CC1CCCCC2CCOC12,0,GDB ChEMBL
48080,C#CCCC(c1cc(C)ccc1F)C1CC1,1,GDB ChEMBL
87138,CCC(O)CN(C)C(NC)=[NH+]C(C)C#N,0,GDB ChEMBL
348574,CC1COC(=O)C1C12CCC(=O)N1C2C,0,GDB ChEMBL
352211,CC1NC2C[NH2+]CCCCC2[NH+]=C1N,0,GDB ChEMBL
206988,CCCCN1CC2(OC)C3C1COC32CO,0,GDB ChEMBL
337137,C#CCC1CN(C)C(=O)CC[NH+]=C(N)C1N,0,GDB ChEMBL
119959,COC1CC2CC[NH+]3CC(C3)C2C=CC1=O,0,GDB ChEMBL
368400,CC(C)CNc1[nH]c(=O)cc(C[NH3+])c1I,0,GDB ChEMBL
258010,C#CC1CC2C([NH2+]C)CC(N1)C(COC)N2C,0,GDB ChEMBL
212612,C#CC([NH2+]C)C1CN1C(CO)CCC,0,GDB ChEMBL
337136,CC(C[NH3+])NS(=O)(=O)c1cnc(N)s1,0,GDB ChEMBL
184683,CCC([NH3+])(CO)CC1C(OC(N)=O)=NCC1O,0,GDB ChEMBL
195389,CC1=CCC2CCCC(C)(C(C)C2)C1O,1,GDB ChEMBL
358596,Cc1nccc2c1C(CO)=CC(C)(CO)O2,0,GDB ChEMBL
252054,Cc1cc2c(nc1N)C[NH2+]C2CC(C)C,0,GDB ChEMBL
50370,C[NH2+]C1C(CO)C(O)C(N)C1NC(N)=[NH2+],0,GDB ChEMBL
320475,OC1C2CCCC3C(C=CC13)C[NH2+]2,0,GDB ChEMBL
252660,C#CC1Cc2ccc(CC)c(C)c2C1,1,GDB ChEMBL
141901,CC1C(O)C2[NH2+]C(CC2O)C(=O)[N-]S1(=O)=O,0,GDB ChEMBL
240765,N=C1OC(=O)C(C[NH3+])C1C([NH3+])C(=O)[O-],0,GDB ChEMBL
108115,CCC1C=CC(=NO)C1(OC)C(=O)NC,0,GDB ChEMBL
121715,CC(=O)N1CC2C[NH+]=C(N)C(O)C(C)C(C2)C1,0,GDB ChEMBL
21991,CC[NH2+]C1(C)C(O)C1CC,0,GDB ChEMBL
34377,CCC1C(C)(C)C2CCCCCC([NH3+])C1(C)O2,0,GDB ChEMBL
38733,CCCCCc1ccc(Br)c2ccnn12,1,GDB ChEMBL
227622,CC12OC(=O)C3C(CO)[NH2+]C1C32,0,GDB ChEMBL
143182,CCC1(CC)OC1CC[NH2+]C,0,GDB ChEMBL
325702,C#CC12CC(CCOC(C)C([NH3+])C1)CC(=O)N2,0,GDB ChEMBL
366550,CNC(=O)CN(CCO)S(=O)(=O)CC[NH2+]C,1,GDB ChEMBL
144550,CC[NH+](C)C1C=C(C)CC(C)([NH3+])C1,0,GDB ChEMBL
112523,NC(=O)NC(=O)C1NCCC([NH3+])C1N,0,GDB ChEMBL
101040,CCC1[NH+]2CC(C=C(C)C1(C)C)CC2C,0,GDB ChEMBL
41023,NC(=O)C1CN=C(C=O)OC(=O)CCN1,0,GDB ChEMBL
335470,NC(=O)C1CCC(CO)C1[NH3+],0,GDB ChEMBL
126862,CCOC(C(=O)[O-])C(C(N)=O)C1CC1(C)[NH3+],0,GDB ChEMBL
175895,CC[NH2+]CC(N)C1(C)C(CO)C1OC,0,GDB ChEMBL
346876,CCCC1C2CNC(=O)N12,0,GDB ChEMBL
33887,CC1C(CO)[NH2+]CC(NC(N)=[NH2+])C1(C)O,0,GDB ChEMBL
125594,C=CCS(=O)(=O)[N-]C(=O)C=CC(N)=O,0,GDB ChEMBL
170255,C#CCc1c(C)cc(O)n1CCC[NH+](C)CC,0,GDB ChEMBL
322826,NS(=O)(=O)C1OC2CC(CC(=O)[O-])CC21[NH3+],0,GDB ChEMBL
81469,CCC1CC(C[NH3+])C2CC2C1,0,GDB ChEMBL
76760,COC(=O)C1(C#N)CCC2(C[NH+]=CN2)C1=O,0,GDB ChEMBL
173120,CC(C)(CC1=CCC(O)C1)[NH2+]C1CC1,0,GDB ChEMBL
333860,CC1C(=O)OC2C(O)C([NH3+])CC12C,0,GDB ChEMBL
304131,CCCC1OC1C(CC)[NH+](C)CC(=O)[O-],1,GDB ChEMBL
179284,CCC12CCC(O)C3CC(CC31)C2,0,GDB ChEMBL
244286,CCCC1[NH2+]CC(CC)C1C(C)[NH3+],0,GDB ChEMBL
298061,O=C1C(C2CC2)=Cc2ccc(F)c(F)c21,1,GDB ChEMBL
112839,CC1CC(=NO)C2C(Cc3ccsc3)CN12,0,GDB ChEMBL
31764,N#C[C-](C(N)=O)C1(CS(N)(=O)=O)CO1,0,GDB ChEMBL
266209,O=CN1C2COC(C(=O)[O-])C(O)C21,0,GDB ChEMBL
352210,C=CCCC(C)CC1CC1CCC,1,GDB ChEMBL
236537,CC[NH2+]C(CO)C(CO)OCC(C)OCC=O,0,GDB ChEMBL
312221,CC[NH2+]C1C=CC2C3CCC(C3)C2C1,0,GDB ChEMBL
243745,CCN1C(OC)=NC2(C(=O)OC)CCCC12,0,GDB ChEMBL
365741,C#CCC1C(C)C[NH+](C)CC2(C)CCC1C2,0,GDB ChEMBL
9936,CCC12CCCC(C1)C1(C)CC(OC)CC21O,0,GDB ChEMBL
132317,C#CCCOC1CC(CC)C1,1,GDB ChEMBL
93106,N#CC12C(=O)[N-]S(=O)(=O)C1CC([NH3+])C2O,0,GDB ChEMBL
11264,CNC(C#N)CC(CO)n1ccnn1,0,GDB ChEMBL
286884,CCc1cc(NC)ccc1C1(O)CC(C)C1,1,GDB ChEMBL
207263,CCc1c(CNCC[NH3+])cnn1C(N)=[NH2+],0,GDB ChEMBL
35024,Cc1cccc2c1C(C)(C)CCCC=C2,1,GDB ChEMBL
119657,CNC(=O)C([NH3+])CC1(C[NH3+])COC1=N,0,GDB ChEMBL
374352,C#CCC1CC(=O)C(c2ccsc2)[NH+]=C1N,0,GDB ChEMBL
85639,CC1[NH2+]C(CO)CC2OC2(C[NH3+])CC1O,0,GDB ChEMBL
31083,CCCC1CC=CCC=C(C(C)CCC)C1,0,GDB ChEMBL
309692,COC(C)C1CC([NH3+])C2CC21,0,GDB ChEMBL
5844,CC1OCOC(=O)NC1CS(C)(=O)=O,1,GDB ChEMBL
172368,CC1CC2C(C)CCCCC2CCC(C)(C)C1,0,GDB ChEMBL
190471,CCC(C)(C#N)Nc1cc(CO)cc(C)c1C,1,GDB ChEMBL
143206,C[NH+]=C(N)N1C2C(C)OC(CO)C21,0,GDB ChEMBL
227269,N=c1oc(I)cc([O-])c1Nc1ccccn1,0,GDB ChEMBL
11234,CCNS(=O)(=O)OCC1COC(=O)C(C)C1,0,GDB ChEMBL
174660,CCNc1cc(C2C=CCC2)cc(Cl)c1Cl,1,GDB ChEMBL
310269,COC1OCC([NH3+])CC1C,1,GDB ChEMBL
361017,CC(O)C(O)C(CC(N)(C[NH3+])C(=O)[O-])C(C)O,0,GDB ChEMBL
253619,CCOCC([NH3+])CNC(=O)COCCOC=N,0,GDB ChEMBL
338559,CC(CC(N)=O)Nc1c(N)nsc1OC(C)C,0,GDB ChEMBL
299996,CN1C(=O)COCC2=CC=CC1CC2,0,GDB ChEMBL
103873,NC1=NC2C([NH3+])CC3NCC(=O)NCC(O1)C32,0,GDB ChEMBL
4828,C#CCc1c(Cl)ccc(CC2CC2)c1C,1,GDB ChEMBL
113472,C[NH+]1CC2CC3CC(O)C1C32CO,0,GDB ChEMBL
379678,N=c1nc([O-])nc(N)nc1CC(=O)[O-],0,GDB ChEMBL
359156,NC(=O)C(=O)C1C(O)C2[NH2+]CC1C2O,0,GDB ChEMBL
369856,CCc1c(N)c(C[NH3+])nc2c1NC(C)CN2,0,GDB ChEMBL
331477,CCCC12C3CC(C(=O)N3)C1C2OC(N)=O,0,GDB ChEMBL
276285,CCOC12CCC(CC1NCC#N)C2,1,GDB ChEMBL
132856,C#CC(=O)C1CC[NH2+]CCCN1,0,GDB ChEMBL
215836,O=C1CC23CCC(O)C2(CN1)C3,0,GDB ChEMBL
334026,NC(=O)OC1C(O)CC(=O)C1O,1,GDB ChEMBL
258342,CC1CC2CC[NH2+]CCCC3CC3C2[NH+]1C,0,GDB ChEMBL
300166,CC1(C(=O)[O-])CC12CCOC(=O)[N-]S2(=O)=O,0,GDB ChEMBL
119861,CC1(C)OCCNCC(=O)c2ccc(Br)nc21,1,GDB ChEMBL
358438,O=c1oncc2c1C[NH2+]CCN2,0,GDB ChEMBL
81116,COC(=O)C1CC2CC(O)C1NS2(=O)=O,0,GDB ChEMBL
247518,CCC1CC2(CCCC([NH2+]C(C)C)C2)C1,0,GDB ChEMBL
339119,Cn1cc(C(N)=[NH2+])c(C(O)CC(=O)[O-])nc1=O,0,GDB ChEMBL
273847,CCCN1CCCCN(C)S(=O)(=O)C1=O,0,GDB ChEMBL
260519,C[NH2+]C(C)CC1(C)C=CCC1C,0,GDB ChEMBL
226274,CCC(CCC1CC1)C(C)(C)C,1,GDB ChEMBL
359137,CCNc1ccc(CO)cc1N(C=N)C(N)=O,1,GDB ChEMBL
374203,C1=C(Cc2ccccc2)CCCC1,1,GDB ChEMBL
311338,CCCC1C2CCC(CC)CC(C)C12,0,GDB ChEMBL
67838,CCC(C)c1nsc2ccc(Cl)c(C)c12,1,GDB ChEMBL
194462,CC1NC(=O)C2C1CC(O)C2S(N)(=O)=O,0,GDB ChEMBL
310172,Cc1cc(CC(C)(C)[NH+](C)C)n(C(C)CO)c1,0,GDB ChEMBL
162482,CC1CCC2C(C)CCCCC[NH+]2C2CC12,0,GDB ChEMBL
221132,CC(CO)Oc1cncc2cc(ccn1)CC2,0,GDB ChEMBL
249478,CCc1nc(=O)c(N)c(C)c(=O)[nH]1,0,GDB ChEMBL
284886,C#CC1(C(=O)OCC)OC1C,1,GDB ChEMBL
347027,[NH3+]C(CN1CC(NC=O)C1=O)C1CC1,0,GDB ChEMBL
320288,O=C([O-])C(=O)NCC(O)CCNc1cnoc1,0,GDB ChEMBL
338294,CCC1(C)CCC2C(CO)C1(O)C[NH+]2CCN,0,GDB ChEMBL
22535,NC(=[NH2+])NC1C(O)C1CNC(N)=O,0,GDB ChEMBL
75006,CCCC1Cc2cccc(F)c2C2CC12C,0,GDB ChEMBL
262216,CC(C)C[NH2+]C1(C)COC(C)OC1,0,GDB ChEMBL
305139,C[NH2+]CCCOC(C)C#N,1,GDB ChEMBL
363586,CC(C)CN=C1NC(C)(C#N)CC1O,0,GDB ChEMBL
3822,CC(CC(N)=O)N(C)C1(C#N)CC(=O)C1,1,GDB ChEMBL
77511,C#CC(CCC)C[NH2+]CCC(C)(C)OCC,0,GDB ChEMBL
122734,C#CCCCC=CCOC(=O)C=C,1,GDB ChEMBL
132534,C#CC(CO)CC(CC)c1ncc[nH]1,1,GDB ChEMBL
81437,CCCC(CC)(CCC)C1CC2CCC1CC2,0,GDB ChEMBL
259664,N#CC12CC(O)CCC([NH3+])C1N2C(N)=O,0,GDB ChEMBL
354735,C#CC(COC)CC(=O)CC1C[NH2+]C1,0,GDB ChEMBL
288646,CCC1N(C=O)CC(C)(C)CC[NH+](C)C1(C)C,0,GDB ChEMBL
62828,CCOC(C)C1CCOC(C[NH3+])C1C(C)C[NH3+],0,GDB ChEMBL
375171,[NH3+]CC1C2CCNS(=O)(=O)C1C(=O)O2,0,GDB ChEMBL
280479,CNC(=O)C(C(O)CO)C(O)C1C[NH+]=CN1,0,GDB ChEMBL
190320,Cc1cc(CC[NH3+])c(F)c(N)c1C,0,GDB ChEMBL
27921,COC1C(C)CC(C)(O)C1O,1,GDB ChEMBL
25121,CCOC1C2Cc3cccc(Cl)c3CC21,0,GDB ChEMBL
225328,CC1CC(O)C(N)=NC(C(=O)NCC#N)CO1,0,GDB ChEMBL
259391,COCC(C)(CO)[NH2+]CCC=O,0,GDB ChEMBL
366501,CC1OCCC(O)C2C1N2C=O,0,GDB ChEMBL
38617,CCC(CC(C)[NH3+])C1C=CCC(C)C1C,0,GDB ChEMBL
31071,C#CCCCCC1CC2CCC(CC2)CC1C,0,GDB ChEMBL
180977,OCc1ncoc1C1CCOC1,1,GDB ChEMBL
341357,CCCc1cc(=[NH2+])[nH]c(C2COC2)c1Cl,0,GDB ChEMBL
161774,CC1[NH2+]C(CN)C(O)C(C)C1C,0,GDB ChEMBL
75851,NC(=O)c1cnc(O)cc1I,1,GDB ChEMBL
176413,COCC(CCO)OC(=O)S(N)(=O)=O,0,GDB ChEMBL
15536,COC1CC2C[NH2+]C(C2)C(N)C(C[NH3+])N(C)C1,0,GDB ChEMBL
137426,C#CC1CC=C(c2c(C)ccnc2CC)C1,1,GDB ChEMBL
70071,C#CCOCc1ncc(O)c(C)n1,1,GDB ChEMBL
93125,C1=CCc2ccc(cc2)C2CC(CC=C1)C2,1,GDB ChEMBL
316120,CNC(=[NH2+])C(=N[O-])C(C)(O)CCOC,0,GDB ChEMBL
130424,COCC1(C(=O)[O-])OC1C=O,0,GDB ChEMBL
338311,CC(O)C1COCCNS(=O)(=O)C1C#N,0,GDB ChEMBL
77841,CC12CC(C(O)CO)[NH2+]CCC([NH3+])C1N2,0,GDB ChEMBL
359097,CC1(CN2CC2CO)CC=CC1,1,GDB ChEMBL
21833,COC(=O)C(C)OC(=N)CS(N)(=O)=O,1,GDB ChEMBL
12756,CC1C(CN)[NH2+]CC2COC(CO)C21,0,GDB ChEMBL
168432,CCCOC1C(CO)OCC1(O)C(N)C[NH2+]C,0,GDB ChEMBL
29010,CCCc1cc[nH]c1C(N)C(=[NH2+])NC,0,GDB ChEMBL
51888,CC#CC([NH3+])C1CC=CC(CO)C1COC,0,GDB ChEMBL
333858,OC1CCC[NH+]2CC3OC3C12,0,GDB ChEMBL
304299,C#CC1CC([NH2+]C)CC(O)C(C)(C)CO1,0,GDB ChEMBL
115185,CC1=C(C)n2cc(C)c3c(F)ccc(c32)C=N1,0,GDB ChEMBL
236713,CC(C)N(C=O)CCOc1ccnnn1,1,GDB ChEMBL
234934,CC(CC#N)NCC1C2CCCOCC21[NH3+],0,GDB ChEMBL
358620,Cc1nc(Br)c(C[NH3+])c2cnc(N)cc12,0,GDB ChEMBL
27966,CCC1C[NH+](C(C)CC)CC1C[NH2+]C,0,GDB ChEMBL
325922,NC(=O)C1C2CC(O)CC([NH3+])C21,0,GDB ChEMBL
274046,CNC(N)=[NH+]CC1C(C(N)=O)N1C(N)=[NH2+],0,GDB ChEMBL
354442,CNc1nc(O)cc(C(C)(C)NC=O)c1C[NH3+],0,GDB ChEMBL
181139,CCC1CCC2CCCC2(C)C2=CCCC21,0,GDB ChEMBL
376638,CC1([NH3+])C2CCC(=O)NC(CO)C1C2C#N,0,GDB ChEMBL
394304,CC(C[NH3+])C(=O)N1CC1,1,GDB ChEMBL
357616,CC1CC(C)(C[NH3+])CCCC2CCC=C12,0,GDB ChEMBL
300237,CC1C[NH+]=C(N)N(C(=N)OCCCO)CC1[NH3+],0,GDB ChEMBL
332430,CC1CCC2C3CCCC2C1C3,0,GDB ChEMBL
273835,NC(=O)C(O)C(C[NH3+])C1CN1,0,GDB ChEMBL
330749,CC1CC2NC(=O)C34CC1CN3C24,0,GDB ChEMBL
341916,CCOCC1C(C)C1OC,1,GDB ChEMBL
130859,NC(=O)NC1C[NH2+]C(C(O)CO)C1N,0,GDB ChEMBL
231092,CCOc1cnc(O)n1C(CO)C(N)C(N)=O,0,GDB ChEMBL
215654,Cc1nn2c(c1C[NH3+])CCC2,0,GDB ChEMBL
294227,CC1CC2COC(CO)C(N(C)C)C2([NH3+])CO1,0,GDB ChEMBL
31055,CCC(=O)NCCCC1(C(C)=O)CC[NH2+]1,0,GDB ChEMBL
81618,CC12CCC3CC1C2CC(=O)C[NH2+]3,0,GDB ChEMBL
215416,C#CC12OC(=O)NC(C)C(O)C1([NH3+])C2CC,0,GDB ChEMBL
359111,NC(=[NH2+])NC1C(CC(=O)[O-])C1(O)CO,0,GDB ChEMBL
339969,CC1C[NH+](CCCC2CC2)C1CN,0,GDB ChEMBL
191538,CN(C(C)(C)C)C(C#N)(CC#N)C(O)CCO,1,GDB ChEMBL
22495,NC(=[NH2+])CNC1CCC(=O)CC1,1,GDB ChEMBL
106013,CCC1C(O)COCC1C=O,1,GDB ChEMBL
290339,CC[NH2+]C(C)CC(C)N(CC)CCC(C)[NH3+],0,GDB ChEMBL
277877,CC1=CC2(C#N)COC(CC1)CC(=O)[N-]2,0,GDB ChEMBL
18878,[NH3+]CC(=O)NCCCO,1,GDB ChEMBL
268134,CCOC1(CC)C2CCCC1C(CC(C)[NH3+])C2,0,GDB ChEMBL
211168,CC1CC(C)(C)N(C(N)=[NH2+])CCOC1C=O,0,GDB ChEMBL
288699,CC1(C)CCC(C#N)C(C(O)CCCC#N)C1,1,GDB ChEMBL
116651,CC1C2CCC[NH2+]C1C1CC1C2,0,GDB ChEMBL
107693,C[NH2+]C1C(O)C(O)CNC1(C[NH3+])CC(N)=O,0,GDB ChEMBL
73266,C[NH+]1CC(C2(C3CC3)CCCCC2)C1,0,GDB ChEMBL
200762,CNC(=O)CC(C#N)C=O,1,GDB ChEMBL
44981,CC(C)(C)CC(=O)CC(F)(F)F,1,GDB ChEMBL
33183,CC1=CC2C3CCCC1C2C[NH2+]3,0,GDB ChEMBL
143841,CC(=O)NC1CC2CC(N)C1[NH2+]2,0,GDB ChEMBL
284870,[NH3+]Cc1cc(Cl)oc(=O)c1,0,GDB ChEMBL
26548,CC(C)c1nc(N)cc(=O)[nH]1,1,GDB ChEMBL
143177,Cc1c(N)ccc(CC[NH3+])c1Br,0,GDB ChEMBL
69591,CCC1=CCCCCC2C=CC(CC1)CC2,0,GDB ChEMBL
201365,CCC1=C(C)CCC1OC(=O)C1CC1,1,GDB ChEMBL
334011,CC1(C)NC(CO)C(O)CC=CCC1=O,0,GDB ChEMBL
75416,CCCCC1(C)C=CCC(C(N)=[NH2+])C1,0,GDB ChEMBL
386433,COc1nc(N)cc(N)ncc(N)c(O)n1,0,GDB ChEMBL
79347,CCC1CCCC(C)(C(C)CC(C)C)C1CC,0,GDB ChEMBL
279253,CC1C[NH2+]C(CO)CC1NC(=O)C(N)=O,0,GDB ChEMBL
9860,CCC1(CC(C)C)CCC=CC(C)(C)CC1,1,GDB ChEMBL
190049,O=C([O-])C1(C(=O)[O-])OC1c1cc[nH]n1,0,GDB ChEMBL
18320,CC1(Cc2nnn[n-]2)OCCC(CO)O1,0,GDB ChEMBL
340438,Nc1nc(N)c(C([NH3+])C2CNCCO2)s1,0,GDB ChEMBL
303346,OC1C2CCC3C1CC[NH+]3C2,0,GDB ChEMBL
63118,NC1=[NH+]C2C([NH+]=C(N)N1)C2C(=O)[O-],0,GDB ChEMBL
381505,CCC[NH+]1CC2C3CCCC2C31,0,GDB ChEMBL
13115,CC1CC(O)C(O)C(O)C1,1,GDB ChEMBL
141996,CC(C)CC1C2CCCC2C2C1C2(C)C,0,GDB ChEMBL
107861,OCCC1NC1c1cc[nH]n1,0,GDB ChEMBL
106645,N#CCNc1cc(N)c2[nH]c(N)[nH+]c2c1,0,GDB ChEMBL
328866,CC1(C#N)C2OC(=O)C(N)C(CO)C21,0,GDB ChEMBL
166421,C#CC(CC1CCCCO1)OC(=O)NC,1,GDB ChEMBL
192559,CNC(=[NH2+])COCC(=[NH2+])NCC(C)(C)[NH3+],0,GDB ChEMBL
204575,CC12[NH2+]C(C(N)=O)C1C(C[NH3+])CC2O,0,GDB ChEMBL
258343,CCCC1(CO)CC(C[NH2+]C)=CCC[NH2+]1,0,GDB ChEMBL
194286,O=CNc1ncns1,1,GDB ChEMBL
118395,CCC1[NH2+]CC2C(C)OC(=O)NC12C,0,GDB ChEMBL
218589,C[NH+]=C(N)OCC(C)[NH+]=C(N)N,0,GDB ChEMBL
126410,C#CCC(C)Cc1cc(CC)ccc1Br,1,GDB ChEMBL
127667,CCC1C(C)OC1C[NH+](C)C,0,GDB ChEMBL
202819,COC1CC2OCOC1CNC2C#N,0,GDB ChEMBL
47754,CC12OC(=O)CCCC1(C#N)C2N,0,GDB ChEMBL
252588,COc1nc(N)c(Cl)nc1N,1,GDB ChEMBL
322895,CC(C)C1OC2C([NH3+])CC(C2C)C1CO,0,GDB ChEMBL
259156,CCCCC1CC2C3CC3C3CC=C1C32C,0,GDB ChEMBL
376692,C[NH2+]CC(C(C)O)C(N)C(O)C(C)C(N)=[NH2+],0,GDB ChEMBL
162906,C=C(NC(=O)CC)C(CO)C1CN1,0,GDB ChEMBL
208279,CCC1CC(=O)C2[NH2+]CCC2C(C)C2CC12,0,GDB ChEMBL
319820,CC(OC(=O)CCO)C(=O)CO,1,GDB ChEMBL
3936,CN1C(CO)C12C(=O)Oc1ncnc(N)c12,0,GDB ChEMBL
51818,CC1CCC2CNC(C1=O)C(CC#N)C[NH2+]2,0,GDB ChEMBL
195185,CCOC1COC(C)OC1=O,1,GDB ChEMBL
119812,CCN(C)C(c1cc(O)ccc1Br)C(F)(F)F,1,GDB ChEMBL
50273,O=CC1CC23OC(=O)C(O)C2OCC3C(=O)N1,0,GDB ChEMBL
51044,CCCC(OC(=N)OCCOC)C1CCOC1,1,GDB ChEMBL
201075,CC1OCC[NH2+]C(C)C(CO)n2cccc21,0,GDB ChEMBL
299707,CCC(CCCC[NH3+])(CC1([NH3+])CC1)C(C)C,0,GDB ChEMBL
334574,C#CCOCC1OCCC1O,1,GDB ChEMBL
284000,NC(=O)C(O)C1C(O)CC(O)C1[NH3+],0,GDB ChEMBL
106633,CC(O)C1C(O)C1(CO)C(N)=O,0,GDB ChEMBL
330022,NC(=O)Nc1nc(N)sc1C(O)CO,0,GDB ChEMBL
189762,COCC1C2C(=O)CS(=O)(=O)N12,0,GDB ChEMBL
101051,C[NH2+]C1C(=O)CNC(C)C2CC3OC3CC12,0,GDB ChEMBL
317568,C[NH+]1CCC(C2(C=O)NC2C#N)C1,0,GDB ChEMBL
178061,CCc1ncc(N)c2[nH]cnc12,1,GDB ChEMBL
76968,CCC1CC(C)(C2CCCC2)CO1,0,GDB ChEMBL
390502,NCC(=O)[N-]S(=O)(=O)C=CC(F)(F)F,0,GDB ChEMBL
95560,O=C1CCN=C(CCO)OC(=O)N1,1,GDB ChEMBL
258214,NC(=[NH2+])N(CC(N)=O)C(C=O)C=O,0,GDB ChEMBL
100743,CNC(=[NH2+])C(C(=O)NC(N)=O)C(O)CO,0,GDB ChEMBL
81772,CC12CCCC(CCC1)[NH+]2C(CN)CCC#N,0,GDB ChEMBL
374357,CCOC(=O)C1C2CC(O)(C(=N)O2)C1[NH3+],0,GDB ChEMBL
76724,CNC(=O)N(C=O)CCC(N)=[NH2+],0,GDB ChEMBL
84579,CCCC1(N(CCO)C(N)=[NH2+])C=CCC1,0,GDB ChEMBL
310790,COCC12CC1(NC(N)=O)CC(C)C2(C)C,0,GDB ChEMBL
81079,OCCN1CC2(CCn3nccc32)C1,0,GDB ChEMBL
330337,Cc1c[nH]c2cncnc12,1,GDB ChEMBL
167273,CCC1CN(C(=O)NC=O)C1,1,GDB ChEMBL
21456,NC(=O)C1NC(=O)C(N)C(N)C(O)C1O,0,GDB ChEMBL
390487,CC1CCC(O)C(CO)C1[NH3+],0,GDB ChEMBL
367805,CCCCC1C2CC(C)C(C2)C1(C)CC,1,GDB ChEMBL
80467,[NH3+]CC1CCCCC(O)C2CCN3C(C1)C23,0,GDB ChEMBL
177127,CCCCC1CC2CCC2C2CCCCC12,0,GDB ChEMBL
331134,C#CC12C3CCCC(C3)C1(C#C)C(C)[NH2+]C2C,0,GDB ChEMBL
53083,CC(C)CCCC(C)CCCC1CC1C,1,GDB ChEMBL
186733,[NH3+]C1C2NCC(CCOC2=O)C1CO,0,GDB ChEMBL
274051,CCCC1CCC(C[NH3+])(CO)C1C(=O)N(C)C,0,GDB ChEMBL
22592,CC1CCN1c1cscn1,1,GDB ChEMBL
61649,CC12CC(O)C1CCCC[NH2+]CCCC2[NH3+],0,GDB ChEMBL
98548,C#CC1CC(C)C(O)C2(CC2)C[NH2+]1,0,GDB ChEMBL
50375,COC1COC(COCC(N)=O)CC1(N)C#N,1,GDB ChEMBL
368509,CC(CC1CC1)C(C)CC(F)(F)F,1,GDB ChEMBL
337184,CCC[NH+]1CC2(C)CC1C(CC(C)[NH3+])C2(C)C,0,GDB ChEMBL
184866,Oc1ccncc[nH]cc1,0,GDB ChEMBL
347894,OC(CC#CC1CC1)C(F)(F)F,1,GDB ChEMBL
176542,CC1N=C(N)NC1C#N,0,GDB ChEMBL
197180,O=COCC1CNC(=[NH+]CCCO)N1,0,GDB ChEMBL
337808,CC1C2OC3CCC2[NH+](C3)C1C,0,GDB ChEMBL
202500,C#CC(C#C)C(CC)C1(C2CCCC2)CC1,0,GDB ChEMBL
331757,CC1C2CCC3C(O)C2C[NH2+]C13,0,GDB ChEMBL
296382,CC(=O)Oc1cc(C)c(N)nc[nH]c(=O)n1C,0,GDB ChEMBL
362666,CC(CC[NH3+])COC(=N)C#CCNC=O,1,GDB ChEMBL
109188,CC1(c2c(F)cc(N)n3nccc23)CC1,1,GDB ChEMBL
279122,CNC(=O)C1(CO)NS(=O)(=O)C2C([NH3+])C21,0,GDB ChEMBL
337423,CC1CN(C)C2C([NH3+])C(O)(CC(=O)[O-])C12,0,GDB ChEMBL
298027,CCCC1(O)CC1OC(C)C(O)CO,1,GDB ChEMBL
93729,CC12OC(=O)C3CC[NH2+]C1C2CC3,0,GDB ChEMBL
5002,CCC(CC(C)C)C1CCCC(C(F)(F)F)C1,1,GDB ChEMBL
324284,N#CC(CO)(COCC(O)CCO)CC(N)=O,0,GDB ChEMBL
99820,Cc1cncn(C)cccn1,0,GDB ChEMBL
255550,C[NH2+]C1(CO)CC(C)NC1=O,0,GDB ChEMBL
203267,N#C[C-]1C(=O)C(O)C2[NH2+]CC1C2O,0,GDB ChEMBL
18842,N=C1NC(=O)OC2C(O1)C2C([NH3+])C(N)=O,0,GDB ChEMBL
186763,NCC(=O)OC1C=CCCC12CC([NH3+])C2,0,GDB ChEMBL
285756,CCCC1C[NH2+]C(C)(C)C(C)CCC[NH2+]1,0,GDB ChEMBL
230252,COC1=NC(C)C(C[NH3+])C1C,0,GDB ChEMBL
195513,CC(C)C1(C)C(C)NC(=O)C12CC2C[NH3+],0,GDB ChEMBL
91234,CC(OC12CC(CCC1O)C2)C([NH3+])C(N)=O,0,GDB ChEMBL
13186,CC1CC(C#N)(C#N)C(CO)C(=O)OC1C,1,GDB ChEMBL
97722,COC1C[NH+]2C(CC[NH3+])CC3(O)C(=O)NC1C23,0,GDB ChEMBL
305478,C[NH2+]CCCC1C(=O)CC2C(C#N)C12,0,GDB ChEMBL
184673,CN(C=O)C(=O)C1CCNS1(=O)=O,0,GDB ChEMBL
261408,CS(=O)(=O)CC1=CC(O)C(O)C1,1,GDB ChEMBL
337964,C#CC1(C)C(O)CC(C)(O)CN1C(C)C[NH2+]C,0,GDB ChEMBL
244289,CCC1C[NH2+]CC(C2(C)CC(C)CC2[NH2+]C)C1,0,GDB ChEMBL
304838,CC1CCC23C(O)C([NH3+])CC2C13,0,GDB ChEMBL
372600,CC1=CCOCCC(=O)N1C(=N)N,1,GDB ChEMBL
299546,CCC1C(C)C(=O)NC(C(N)=O)C1[NH3+],0,GDB ChEMBL
71314,Cc1nnn2c1CNC(=O)C2CS(C)(=O)=O,0,GDB ChEMBL
83124,C=CCC1CC2C(=O)OCC2(C)[NH2+]1,0,GDB ChEMBL
203530,NC(=[NH2+])Nc1cnc2c(c1)C[NH2+]CCO2,0,GDB ChEMBL
332390,O=C([O-])C[NH2+]CCC(=O)CCO,1,GDB ChEMBL
49155,CC1CC2CNC1c1[nH]ccc1CC(C)[NH+]2C,0,GDB ChEMBL
136108,COC(N)=NCc1nn(C)c(=O)c2n[nH]cc12,0,GDB ChEMBL
284825,C#CC(C#C)(C#C)[N-]C(=O)CC(F)(F)F,0,GDB ChEMBL
66181,CC1C2CC(=O)NC(C2)C1C,0,GDB ChEMBL
201459,CC12CCCC3CCCC(C)(CC1)C32,0,GDB ChEMBL
343279,CCC1CCC2CC=CC2C1(C)C,0,GDB ChEMBL
95574,CC(CC1OC(=O)[N-]S1(=O)=O)C(N)=O,0,GDB ChEMBL
162925,CC(C)NC(=O)CC1C(C=O)OCC1(O)CO,0,GDB ChEMBL
379234,CC1(C)CC2=CCCCN2C1=O,1,GDB ChEMBL
266270,Cc1[nH+]c(N2CCC2)nc(N)c1C,0,GDB ChEMBL
299199,C[NH2+]CC1CC=C(C(=O)[O-])C1CC=O,0,GDB ChEMBL
1922,COC(=O)NC(N)=NCCO,1,GDB ChEMBL
20124,CC1(O)C2NC(=O)CC1([NH3+])C2CO,0,GDB ChEMBL
74344,CC1C(CC(N)=O)NC(=[NH2+])OC1C(N)=O,0,GDB ChEMBL
36576,CC1CCCC=CC(C)[NH2+]C1,0,GDB ChEMBL
263870,CCc1cc(O)nc(Br)c1CC(C)(C)CC=O,1,GDB ChEMBL
389378,C#CCC1CC2(C)CC(CCCC1(C)C)C[NH2+]2,0,GDB ChEMBL
55500,O=C([O-])C1(C2C3C(O)CCN32)CO1,0,GDB ChEMBL
99693,CNC(=O)NC(=O)C12CC(C[NH2+]1)C2N,0,GDB ChEMBL
395114,COCC(O)(C(O)C(C)C)C(C)(O)C[NH3+],0,GDB ChEMBL
207690,CCC(C(C)(C)CC(C)C)C1(C)CCC1,0,GDB ChEMBL
334400,CC(C(=O)N1C=CCC1)N(C=O)C=O,1,GDB ChEMBL
261374,CCOC(C#N)(C=O)CC(N)=O,1,GDB ChEMBL
120731,NC(=O)OCC1CCS(=O)(=O)NC1CO,0,GDB ChEMBL
333665,CC1CCC(=O)C2CC[NH2+]C12,0,GDB ChEMBL
136676,[NH3+]C1C(O)C(=O)NC2CS(=O)(=O)NC23CC13,0,GDB ChEMBL
113609,Nc1ccccc1CCc1ccsc1,1,GDB ChEMBL
118442,C#CC(C[NH3+])CCc1cc([O-])no1,0,GDB ChEMBL
276044,CCCC(C)C1C[NH+]2CC1C1C=CC2C1=O,0,GDB ChEMBL
149289,CN1CCC2OC2C(C#N)C1,1,GDB ChEMBL
213991,CC(C)CC1=CC2CCCCC2(C)C1,1,GDB ChEMBL
157745,CC1C([NH3+])CC(O)C1NC(N)=O,0,GDB ChEMBL
203184,CCC(C)(C)C(O)C(CO)C(C)(C)O,0,GDB ChEMBL
136553,CC(C)(C)CCC#CCCC#CC1CC1,1,GDB ChEMBL
204584,C#CC(C=CC=CC)=CCC(C)C,1,GDB ChEMBL
336630,CCn1cc2c3c(c(N)c(F)c(C)c31)C([NH3+])C2,0,GDB ChEMBL
155162,CC1CC(C(O)C[NH3+])N=C(CC#N)OC(=O)N1,0,GDB ChEMBL
252651,O=C1CCCC2(CN1)C1C=CC2O1,0,GDB ChEMBL
202533,CN1CC2=NC(C1)C(O)C(=O)OCCCN2,0,GDB ChEMBL
133307,O=C1OCC(CCO)C1=O,1,GDB ChEMBL
115958,C[NH+](C)C1CC1C(=O)CO,0,GDB ChEMBL
79481,CC(C)CC1[NH2+]C2(C)CCC=CC1OC2,0,GDB ChEMBL
6540,CC(C)C([NH3+])C1C=CC(O)C(C(F)(F)F)C1,0,GDB ChEMBL
27755,Cc1cc2c(cn1)CC(C)C2,1,GDB ChEMBL
21529,C1COC23CCC[NH+](C1)C2CC3,0,GDB ChEMBL
25219,C#CC([NH2+]C)C(C)CC1CC(C)(C)C1,0,GDB ChEMBL
104709,CC(=O)c1cc2[nH]c(N)[nH+]c2c(F)c1N,0,GDB ChEMBL
249541,Nc1cnc(CCOC=O)c(C[NH3+])c1,0,GDB ChEMBL
195484,Cn1cc2c(n1)C(O)C(C=O)N2,0,GDB ChEMBL
172712,CCOC(C[NH3+])C(O)CC1C(C)C1O,0,GDB ChEMBL
180038,COC(=O)C(CC(N)=O)N=COC(C)C,1,GDB ChEMBL
358931,CC(C)CCC1OC(=O)C(C(N)C#N)C1(C)O,0,GDB ChEMBL
84863,CC1(C)CC(CNC(N)=[NH2+])C(C2COCO2)[NH2+]1,0,GDB ChEMBL
40430,CCCOC(=N)NC(=O)NC(C)C1CO1,1,GDB ChEMBL
104715,CCC1(C)C2COCC1C(O)C(C)C2,0,GDB ChEMBL
224033,CC1=CC2C(O)C1C1CC([NH+](C)C1)C2(C)C,0,GDB ChEMBL
94645,O=C1OCCC1CCCCO,1,GDB ChEMBL
316430,CC1(C)CC[NH+](C2CC2)C2CC1C2,0,GDB ChEMBL
305109,C#CCC1CCC=C(C)C1CC(C)CCC,0,GDB ChEMBL
367777,C1=CCC2=CCCC(C2)[NH2+]CC1,0,GDB ChEMBL
107047,CCC(C#N)C1C(CCO)C1(C)CC,0,GDB ChEMBL
296623,C#CC[NH+](CC1(CCO)CC1)C(C)C,0,GDB ChEMBL
53821,COC1C(O)C2C3[NH2+]CCC1C32,0,GDB ChEMBL
239355,C[NH2+]C1CCC2CC(C)C3(CC3)C2CC1C,0,GDB ChEMBL
378297,CCOC1CC(C)C2(C(=O)[O-])CC2[NH2+]C1C,0,GDB ChEMBL
330800,C#CC(CC(C#N)CCCOC)C(C)C,1,GDB ChEMBL
23990,CC(CC([NH3+])CN)C(N)=O,0,GDB ChEMBL
4819,CC1CC12C1CC(C(=O)N1)C2O,0,GDB ChEMBL
312540,[NH3+]C(C(=O)[O-])C(O)C1(O)C2NC(=O)CC21O,0,GDB ChEMBL
156119,[NH3+]CC1=CC(=O)N2C(=O)OC(C[NH3+])CC2C1,0,GDB ChEMBL
239974,CCC1C=CC(CC)C2(C)CCC1(C)C2,0,GDB ChEMBL
21589,CC(=O)Nc1nc(N)c(OCCO)s1,1,GDB ChEMBL
45721,C#CCN1CCC2(C)CC[NH2+]C(C)(CC2)C1,0,GDB ChEMBL
288542,CCC12CCCCC(C1)C(C)(CC)CC(C)C2,0,GDB ChEMBL
321992,NC(=O)CC(O)CCOS(N)(=O)=O,1,GDB ChEMBL
305360,N#CCNCCC1OC2CCC1C(O)CO2,0,GDB ChEMBL
11027,C#CCCC([NH2+]CC)C1CC2C3COC1C32,0,GDB ChEMBL
354327,CC(=O)OCC1(C(N)=O)COC1,1,GDB ChEMBL
89710,C#CCCC12C=CC[NH+]1C1CCCCC1C2,0,GDB ChEMBL
47542,C#CC(CCCC[NH3+])C(C)(C)C,0,GDB ChEMBL
217691,C#CC12CCc3c(NC)cccc3C1C2[NH3+],0,GDB ChEMBL
133204,O=C([O-])C(O)CC1C(O)C(=O)N2CC12,0,GDB ChEMBL
389082,CCC1[NH2+]CC1C1=CCCCC1,0,GDB ChEMBL
132709,CC(=O)NC1CCCc2nnnc(C)c21,0,GDB ChEMBL
342639,CC1C2C=CC3C1CCC(O)C23,0,GDB ChEMBL
204163,CN1C(=O)C2C(N)C(O)C([NH3+])C1C2(C)O,0,GDB ChEMBL
21495,CC1C2C[NH2+]C3CC1CCCC3C2,0,GDB ChEMBL
160870,C=CC(C)C1CCCC1(C)CCC,1,GDB ChEMBL
107802,CC1CCC2CCCCC(C2)C1C(C)(C)C,0,GDB ChEMBL
280431,CCCCC1=CC(C(F)(F)F)C(C)CC1,1,GDB ChEMBL
194516,CC(=O)C(C)(CC#N)C1CC(O)C[NH2+]C1C,0,GDB ChEMBL
184137,O=C1C2CC(O)COC2C2CN12,0,GDB ChEMBL
103456,O=CNC1COC2CNC(=O)CC1O2,0,GDB ChEMBL
80468,CNC1C=CCOC1=NCCO,0,GDB ChEMBL
390503,CC(=O)CC1(C#N)CN2CC(C(C)C)N=C21,0,GDB ChEMBL
60993,C[NH2+]CC1OCC(C([NH3+])C(C)O)O1,0,GDB ChEMBL
170252,C#CC(C#C)(CN)Nc1ncc(Cl)n(C)c1=O,1,GDB ChEMBL
259698,CCC1CC([NH3+])C(=O)N1C,1,GDB ChEMBL
288570,CCN(C)C(=O)OC1(C#N)CC(CO)C1,1,GDB ChEMBL
76818,CC1C=CCC2C(O)C[NH2+]C12,0,GDB ChEMBL
147238,CCC1CC2CCC1(C)C2CC,0,GDB ChEMBL
288669,CC1CCC2CC3CC(C[NH+]3C)C12C,0,GDB ChEMBL
207411,CC1CC(C)C2(C)C=CC(=O)C12,0,GDB ChEMBL
184240,CCCC1CCC2(CO2)C1=O,1,GDB ChEMBL
325895,CC(CCO)C(C)C1OC1C,1,GDB ChEMBL
379358,Cn1ccc2c1C=CCCO2,1,GDB ChEMBL
199460,CC(=NCCO)NC(=N)OC(C)C,0,GDB ChEMBL
340501,CC1[NH+]=C(N)OCC1=CCC(N)=O,0,GDB ChEMBL
58525,CC[NH2+]CCCCC1(C)CCC[NH+](CC)C1C,0,GDB ChEMBL
339083,CC1OC(=O)C(C([NH3+])C(=O)[O-])C1NC=[NH2+],0,GDB ChEMBL
317701,CC1C(=O)NC(=N)C2CC1C(CO)[NH2+]2,0,GDB ChEMBL
387231,C[NH+](CC1CCCC1)C1(C)CC=CC1,0,GDB ChEMBL
117309,CCN1CCOC(C=O)C1(C)CO,1,GDB ChEMBL
378267,Cc1nc(CC(=O)[O-])c(C(=N)OCC(N)=O)s1,1,GDB ChEMBL
283265,CCC(C)C([NH2+]C)C1=CCC(C)=C1,0,GDB ChEMBL
177324,Cc1cc2onc(N)c2c(Br)c1Br,1,GDB ChEMBL
392735,N#CC1CC2Nc3ccnn3C12,0,GDB ChEMBL
77541,CC[NH2+]CCC1=CC(CC)CCC1=NO,0,GDB ChEMBL
378873,[NH3+]CCNC(=O)C([NH3+])C1(O)CC1,1,GDB ChEMBL
80279,CC[NH+]1CCC(C)(C)CC(C)C([NH3+])C1COC,0,GDB ChEMBL
99087,COC(C(=O)[O-])C12OC(=O)NC1(C)C2[NH3+],0,GDB ChEMBL
63163,C#CCC(CO)(CN(C)C(C)=[NH2+])C(C)[NH3+],0,GDB ChEMBL
244658,CC1CCCC1C1(C)CCC2CCCCC1C2,0,GDB ChEMBL
150515,C[NH2+]C1COC(CO)C1C1N=C(C[NH3+])NC1=O,0,GDB ChEMBL
235914,CCC1CC(C(C)C)C(C)(CCCO)C1CC,0,GDB ChEMBL
80217,Oc1csc2cc(Br)ccc12,1,GDB ChEMBL
11201,C#Cc1cc(C)c(C2C=CCC2)c(Br)c1,1,GDB ChEMBL
3029,CC1CC2C([NH2+]1)C(C)CC2(C)C,0,GDB ChEMBL
351307,C=C(C=O)C=CCCc1ccoc1,1,GDB ChEMBL
22824,CC([NH3+])CC(=O)OC12COC(C1)OC2,0,GDB ChEMBL
350314,Cc1cn(C)nc1CNC1CC(C)([NH3+])C1,0,GDB ChEMBL
370288,CC(O)C[NH+](C)CC1COC1(C)C,0,GDB ChEMBL
169070,Cc1nc(Cl)cc(C2(C)CC2C)c1C(C)O,0,GDB ChEMBL
66761,CCNC(C(N)=[NH2+])C1(C#N)NC1COC,0,GDB ChEMBL
289237,C#CC(C)c1cc(I)ccc1C1(C)CCCC1,1,GDB ChEMBL
338397,CCC1NC(=O)CN2CCCN=C2C1(C)C#N,0,GDB ChEMBL
62565,CC(C)(CC1CC(C[NH3+])C1)C(F)(F)F,0,GDB ChEMBL
295909,O=CCC1C2CNc3cccnc3C(=O)N12,0,GDB ChEMBL
177240,CC[NH+]=C(N)OC1(C(=O)CO)CNC(=O)OC1,0,GDB ChEMBL
82167,CCOC1(C)CC([NH3+])C2C(CO)C2C1O,0,GDB ChEMBL
235722,CC(CNCC#N)C(CCO)[NH+](C)C,0,GDB ChEMBL
81434,CCCC1CCC(C)(CN)[NH+](CC(C)(C)C)C1,0,GDB ChEMBL
307511,C#CC1(CC(=O)OC)OCC1[NH3+],0,GDB ChEMBL
274089,[NH3+]CCN1C2COC(CO)C21,0,GDB ChEMBL
210971,CCC(C)CC1([NH2+]C)C=CCC(C)(C)C1O,0,GDB ChEMBL
219515,Nc1nc(C2CC2)ncc1F,1,GDB ChEMBL
347869,CN(C(N)=O)C1CNC(=[NH2+])C1,0,GDB ChEMBL
114412,CCC1CCC(CC(C)=O)C2CN12,0,GDB ChEMBL
39773,CC1[NH2+]CC2CCCC3C(CO2)C13,0,GDB ChEMBL
269350,CC1OC(C[NH3+])(CO)CC1O,0,GDB ChEMBL
171897,N#CC12C(=O)[N-]C(C(=O)NCC([NH3+])C1O)C2N,0,GDB ChEMBL
83507,C#CCCc1cc(OC)c(I)c(C(N)=[NH2+])c1O,0,GDB ChEMBL
284383,C[NH2+]CCC1=CC(C(=O)[O-])[NH2+]C(C)(CO)C1,0,GDB ChEMBL
58510,CNS(=O)(=O)C1CC(O)C1NC(N)=O,0,GDB ChEMBL
172389,CCC1CC(C)=CCC(O)C1O,1,GDB ChEMBL
270105,C=C(C)C1(C)OC(=O)C(CO)C1O,1,GDB ChEMBL
122850,CCN=COCCC[NH2+]C,0,GDB ChEMBL
87000,CCC1C2[NH2+]CC3CCC1(C)CC32,0,GDB ChEMBL
251831,C[NH2+]CCC(C(=O)OC)[C-](C#N)C#N,0,GDB ChEMBL
61687,C#CC(NC1=[NH+]C(CC)C(O)CN1)C(C)(C)C,0,GDB ChEMBL
368464,CC1OC(=O)C2C(O)C3NC(=O)C([NH3+])C132,0,GDB ChEMBL
260705,C#CC(O)C(C)(CO)C(C)[NH+]1CCC1,0,GDB ChEMBL
186015,CC1[NH2+]C2CC(O)C1(C1CC[NH+]1C)C2,0,GDB ChEMBL
47685,NC(=O)CC(Oc1coc(N)n1)C(=O)[O-],1,GDB ChEMBL
310133,CCNC(=O)c1c([O-])nsc1CS(C)(=O)=O,0,GDB ChEMBL
398220,CCS(=O)(=O)[C-](COC(N)=O)C(N)=O,0,GDB ChEMBL
222172,Cc1c(C#N)ccc(=N)c2nc[nH]c(=O)c12,0,GDB ChEMBL
34462,CC1C2N1C(=O)CC2([NH3+])C(=O)[O-],0,GDB ChEMBL
94623,COC(=O)C(C[NH+](C)C)=C(N)C[NH3+],0,GDB ChEMBL
216579,CC(C)C1CC2CCC(C1)C2C,1,GDB ChEMBL
194706,CC(C)C(CC#N)C(C)(CCC[NH3+])[NH+](C)C,0,GDB ChEMBL
177033,CC1CCC(NC(CN)CO)=[NH+]1,0,GDB ChEMBL
244665,COC(=O)C(C)CC1CC([NH3+])C1,0,GDB ChEMBL
21523,CN(C)C(=O)C1(C)CN(C=O)C1=O,1,GDB ChEMBL
292733,CCCOC(=O)C12C[NH2+]CC1(C)CN2,0,GDB ChEMBL
22578,N=c1cc(N)c[nH+]c(N)c1C(N)=O,0,GDB ChEMBL
243729,C#CC(CC#N)C(=O)C[NH2+]C1CC1,0,GDB ChEMBL
81051,CC1CCC2OCCCC(C)C2(C)C1,0,GDB ChEMBL
148956,CC(C)C1C2[NH2+]CC=CC(C2O)N1C,0,GDB ChEMBL
207283,CCCCCC12CCCC1CC1C(=O)CCC12,0,GDB ChEMBL
17632,CCC1(O)C(=[NH2+])NC2C(C(=O)[O-])NC(=O)C21,0,GDB ChEMBL
305064,C#CCCCCC(CCC#C)C(C)(C)C,1,GDB ChEMBL
7421,CCOC(=N)C1CC1,1,GDB ChEMBL
112764,CC1=CC(C(C)C(=O)[O-])C(NC=O)C1=O,0,GDB ChEMBL
227792,NC(=[NH2+])NC1CC1CC1CCC1,0,GDB ChEMBL
318121,CCC1=C(CO)C(CC)NC1=O,0,GDB ChEMBL
13883,CC=C1CCCC(CO)CC([NH3+])C1,0,GDB ChEMBL
359068,CC[NH+](C)C1CC2OCC2C1=O,0,GDB ChEMBL
333890,[NH3+]CC1CC2(O)CC([NH3+])CC1C2,0,GDB ChEMBL
76513,C#CCCCOC(C)(C)C1[NH2+]Cc2cc[nH]c21,0,GDB ChEMBL
222061,[NH2+]=CN1CCOCC1CC(=O)c1ccsc1,0,GDB ChEMBL
184625,C#CC1C(C)C([NH2+]C)C(CC#N)N(C)C1C,0,GDB ChEMBL
319188,COC(=O)N(C(=N)N)C(=N)C#N,1,GDB ChEMBL
258743,CCCCC1C=CC=CC2CC1C(C)C2C,0,GDB ChEMBL
5038,CC12COC(=O)NCC(O)C(OC1C(=O)[O-])O2,0,GDB ChEMBL
647,CC[NH2+]Cc1cc(Br)c(N)c(C#N)c1,0,GDB ChEMBL
54797,CCCC1CC2CC(C2)[NH2+]CC1C#N,0,GDB ChEMBL
289859,CC1(CCO)CC2C[NH2+]C2C1,0,GDB ChEMBL
398932,NC12C([NH3+])CC(O)C1C2(O)COCC(=O)[O-],0,GDB ChEMBL
227946,C#CC(C#C)(C#C)c1ccc(Cl)cn1,0,GDB ChEMBL
84270,N#CC1C(S(N)(=O)=O)N1C(=O)C[NH3+],0,GDB ChEMBL
211141,COC1C(O)CCC2CC1C2,1,GDB ChEMBL
317976,[NH3+]C1C(=O)N2CC2CC(O)C1CO,0,GDB ChEMBL
309825,C#CC1(C)CCNC(=O)C2C(=O)OC21,0,GDB ChEMBL
274961,COCCC(CO)(c1nc(C)cn1C)N(C)C,1,GDB ChEMBL
54089,CC1C[NH2+]C2CC1[NH+](C)CC21CCCC1C,0,GDB ChEMBL
343245,CC1=CCCC1CC1COC1,0,GDB ChEMBL
215300,[NH3+]CC1C([NH3+])C(O)C[NH2+]C2CC21,0,GDB ChEMBL
194755,CNC(=[NH2+])CC(=O)NC(C)=N,1,GDB ChEMBL
75410,CC(=O)OCCC[NH+]=C(C)N,0,GDB ChEMBL
378235,C#CC(C)(C)NC(=O)C(CN)[NH2+]C,0,GDB ChEMBL
294466,CCC(=O)NCC1(CO)C(O)C1(C)[NH3+],0,GDB ChEMBL
370379,CC(C)CC1(C)CC(O)C(OCCO)C1,0,GDB ChEMBL
349669,CNC(=O)C1=CC(C(O)C[NH3+])NS1(=O)=O,0,GDB ChEMBL
218812,Cc1cc(CC(CO)[NH+](C)C)c(OCCO)o1,0,GDB ChEMBL
126591,CC(C)N(C)C1C(=O)OC2CNC21C,0,GDB ChEMBL
389033,[NH3+]CCC1CC2(CO)CNC(=O)CN12,0,GDB ChEMBL
209845,CC1([NH3+])C=CN(CCC#N)C1=O,0,GDB ChEMBL
382596,C=CC1NC(=O)OC(C)C(C)C1[NH3+],0,GDB ChEMBL
378071,COC(C(=O)[O-])C12CNS(=O)(=O)C1O2,0,GDB ChEMBL
42261,O=CN1CC(Nc2ccccc2I)C1,1,GDB ChEMBL
208249,COCC1C[NH+]=C(N)N(C)C(C)C1=O,0,GDB ChEMBL
61691,O=C([O-])CN=C1OCCNC1=O,0,GDB ChEMBL
204170,CCC1CC=C2C=CCC=CC2=CCCC1,0,GDB ChEMBL
209732,CCC12C#CC(C)C(C)[NH+](C)C(CC1)CC2,0,GDB ChEMBL
372744,Cc1c(I)ccc(CC(C)(C)CCCO)c1C,1,GDB ChEMBL
280819,CC(C)[NH2+]CC=Cc1ccccc1,0,GDB ChEMBL
247398,CCCC(C)c1ccc(CC)n1C,1,GDB ChEMBL
305077,C[NH2+]CCC(N)c1ncc(CO)o1,0,GDB ChEMBL
64052,CCC1[NH2+]CC2CC1CCCCC2C,0,GDB ChEMBL
115458,CCC1C=Cc2cc(Cl)cc3c2C1CC3C,0,GDB ChEMBL
362009,C[NH2+]C1CN=C(COC)N(C2CC2)C1,0,GDB ChEMBL
184250,C#CC1(O)C[NH+](C)C(CC[NH3+])C1C(C)C,0,GDB ChEMBL
322897,CC(=O)C1C2CCC(CC[NH2+]2)N1CC(F)(F)F,0,GDB ChEMBL
55557,NC(=[NH2+])NC1COC(=O)C(C=O)C1,0,GDB ChEMBL
319157,C#CCC1CC2CCC([NH2+]C)C2(C)C=C1C,0,GDB ChEMBL
203436,CC1CCNC(=N)N(C)C(=O)OCO1,1,GDB ChEMBL
70837,CN(C)C(=[NH2+])OCCC(N)C[NH3+],0,GDB ChEMBL
395958,CCC(N=C(N)N(CC)C(N)=O)C(C)([NH3+])CC,0,GDB ChEMBL
223966,COCC(O)C1[NH2+]C(C)C(C)CC1NC(N)=[NH2+],0,GDB ChEMBL
249618,O=C1NC(=O)C2(O)CC(O)C(C2)O1,1,GDB ChEMBL
314146,CC1=CC2C(O)CC(O)C(CCO)CC2C1,0,GDB ChEMBL
28147,CCC([NH3+])C1CCCN(C(N)=[NH2+])C1,0,GDB ChEMBL
104485,C[NH2+]CC1C(=O)C=CC(O)C1C1CCC[NH2+]1,0,GDB ChEMBL
375112,CCC(C)(C)CC(C)c1[nH+]cc(C)n1C(C)C,0,GDB ChEMBL
136452,N#CC(C(=O)[O-])C(O)C1C([NH3+])C(=O)N2CC12,0,GDB ChEMBL
115869,CC#CCC1OCC(C[NH3+])CC2CCC1[NH2+]2,0,GDB ChEMBL
177053,OC1COC2C1CC1CCC2(O)CC1,1,GDB ChEMBL
148217,C#CC1CC(=O)C2CCC[NH+]1C2,0,GDB ChEMBL
118481,CCN1C2CC3CCCC(C3)C(=O)C21,0,GDB ChEMBL
39936,COC1C2(O)CNC(=O)C12C,0,GDB ChEMBL
277573,N#CC(C=O)C1NC(=O)NCC(O)C1C=O,0,GDB ChEMBL
126594,CC1C=CCC2(C)CNC(=O)C2C1C,0,GDB ChEMBL
26863,C#Cc1cc(CC2CCCCC2[NH+](C)C)co1,0,GDB ChEMBL
285571,CCC(C=CCO)CCC[NH+](C)C,0,GDB ChEMBL
287313,CNc1nc(N)cc(=O)n1CC[NH+](C)C(C)C,0,GDB ChEMBL
22825,CCC1CC(C)C2CC(C)C(C(C)C)[NH2+]C2C1,0,GDB ChEMBL
218318,NC(C[NH3+])C1CCOCO1,0,GDB ChEMBL
81121,CCC1CCC2[NH2+]C1C2OC,0,GDB ChEMBL
334775,CCC1CN(C(=N)CNC(N)=O)C(=O)O1,1,GDB ChEMBL
358800,CCC1NC(=O)C(OC=O)OC1C(C[NH3+])CO,0,GDB ChEMBL
363141,C#CCC(=O)C(COCC)Cc1cnccn1,0,GDB ChEMBL
174839,CS(=O)(=O)N1C(CO)C1C(C#N)NC(N)=O,1,GDB ChEMBL
120578,COC1COC2CC[NH2+]C2C1,0,GDB ChEMBL
350915,C#CCc1cc(N(C)C2CC2)ncn1,1,GDB ChEMBL
380620,CCC1(CC)CCN(CCO)CC(C#N)C1=O,1,GDB ChEMBL
41616,CC1CCCCC2CN2c2cc[nH]c(=O)c21,0,GDB ChEMBL
372664,C=C1CC([NH2+]C2CC2)CCNC1=O,0,GDB ChEMBL
113564,O=C([O-])C1COC(C2OCC(CO)NC2=O)O1,0,GDB ChEMBL
236553,N#CC1C2CN3CCC([NH3+])C3C1CO2,0,GDB ChEMBL
217701,N#CC1C(CCO)=CC2CN1C2,0,GDB ChEMBL
299585,CC1CC2CC([NH3+])C(C)C(O1)C2C[NH3+],0,GDB ChEMBL
85648,C=CC=CC=Cc1ccc(I)cc1,1,GDB ChEMBL
115240,C#CC(N)(CCCC)C[NH+]=C(N)NC,0,GDB ChEMBL
255393,C#CCCC1(C(O)CCC)CCCC1,1,GDB ChEMBL
339264,CC(NC(=O)C[NH3+])c1c(N)noc1[O-],0,GDB ChEMBL
76062,CC(=O)c1ccc(Cl)c(C)c1O,1,GDB ChEMBL
253584,N=C1CC(CC(=O)NCC(O)C(N)=O)CO1,1,GDB ChEMBL
280706,CC1=CC(C)(OCCO)CC1=O,1,GDB ChEMBL
238555,CC(C)C(CO)C1CC1(C)C,1,GDB ChEMBL
285616,C#CC1(CC)CC(C)CC(CC)[NH+]1CC,0,GDB ChEMBL
296090,C#CCCC1(C)C2CC(C)CC1C(C)[NH2+]2,0,GDB ChEMBL
112425,CCOC1C(C)[NH2+]CC1(O)CNC=O,0,GDB ChEMBL
374043,C[NH2+]CCC1([NH2+]C)CCCCC([NH+](C)C)C1C,0,GDB ChEMBL
151213,CC1C=CN2C(N)=[NH+]CC2C1O,0,GDB ChEMBL
184631,CCN(CCc1cc(N)no1)C(C)=[NH2+],0,GDB ChEMBL
10579,OC1CCC2NC=[NH+]CC2C1,0,GDB ChEMBL
359122,CCOC1C2CCC1(CO)C([NH3+])C2,0,GDB ChEMBL
119818,C#Cc1cc2c(c(C[NH3+])n1)OCC2,0,GDB ChEMBL
169436,COCC(C)c1nnnc(N)c1[N+](=O)[O-],0,GDB ChEMBL
353526,Cc1cc(C(=O)[O-])nc(=N)cc1C,0,GDB ChEMBL
57277,C[NH2+]C1CCC2C3CC3C[NH+]2C1,0,GDB ChEMBL
34795,CCC=CCC=CC(C)C(F)(F)F,1,GDB ChEMBL
130654,CC(C)CC1C[NH+]=CN(CC=O)C1CCO,0,GDB ChEMBL
330079,CC(C#N)NC(=O)CC(=O)Cc1cc[nH]c1,1,GDB ChEMBL
180006,Cc1ccc(C2(C)CCC2(C)C)c(C)c1C,1,GDB ChEMBL
29735,C#CCC1CC(O)CCO1,1,GDB ChEMBL
92333,NC1C(=O)OC2CCCC=C21,0,GDB ChEMBL
136016,C#CCCc1cn(C(C)C[NH3+])c(O)n1,0,GDB ChEMBL
34463,COC(=O)n1ncc(CO)c1C,1,GDB ChEMBL
115179,CCC1(C)CC2[NH2+]CC1CCCC2(C)C,0,GDB ChEMBL
80228,CCC1C=C(CO)CC1,1,GDB ChEMBL
348675,COCC1=CCC=CC[NH+](C)C(C)C1,0,GDB ChEMBL
274360,O=C(OCCO)c1ccsc1[O-],0,GDB ChEMBL
378276,CNC(=[NH2+])N(C(=[NH2+])NC)C(C)(CN)CN,0,GDB ChEMBL
54823,CCC1COC(C)(OC(C)=O)C(N)=NCC1O,0,GDB ChEMBL
379151,[NH3+]CC1COCC([NH3+])C(O)CCO1,0,GDB ChEMBL
215295,NC(=[NH2+])C1CCCCCO1,0,GDB ChEMBL
175714,C#CC(O)CC(C#CC)(CO)CC[NH3+],0,GDB ChEMBL
42235,CC1(C2CCC2)C2CCCC(C2)C1CCO,0,GDB ChEMBL
61656,CC1CC([NH3+])CC(C)N1CC(=O)NC(=N)N,0,GDB ChEMBL
209881,COC1=NC(C)C(OC)COC(C)C1C(N)=O,0,GDB ChEMBL
395652,Nc1nc(N)c(C(=O)[O-])s1,1,GDB ChEMBL
338508,CC1CN1C(C(N)=O)C([NH3+])CO,0,GDB ChEMBL
188525,CS(=O)(=O)C1C2OC(C(=O)[O-])C(O)CC21O,0,GDB ChEMBL
394326,CN(C)C(=[NH2+])OCC(N)=O,1,GDB ChEMBL
77335,CCC1(CC2(C)CCC2)COCC[NH2+]1,0,GDB ChEMBL
70358,CCCCOC(C)C#CC(C)(C)C=O,1,GDB ChEMBL
358197,N#CC1C(O)C12COC(=O)C2,0,GDB ChEMBL
261432,CCC12CNC(=O)N(C)CC([NH3+])(C1)C2C[NH3+],0,GDB ChEMBL
147876,C#CC1CC(C)([NH2+]C(C)C=O)CC1CCCC,0,GDB ChEMBL
172729,CN(CC#N)C(CO)c1cnccc1O,0,GDB ChEMBL
191354,[O-]c1c(C#CCO)nn2ccccc12,0,GDB ChEMBL
276313,CC#CC1Cc2c(ccc(CC)c2Cl)C1C,0,GDB ChEMBL
207003,NC(=O)C1C2CC([NH3+])C(C[NH3+])C21,0,GDB ChEMBL
99694,CC(C)c1nc(=O)n(C)cc1Cl,1,GDB ChEMBL
333060,CC1(O)CCCC[NH+]=C2CCC(C1)N2,0,GDB ChEMBL
395642,CC(C#N)C1(C)CC2CC(=O)C1C2O,0,GDB ChEMBL
261199,CC(=O)c1cc(Br)c(NC=O)c(NC=O)c1O,1,GDB ChEMBL
118885,C[NH2+]CC(C)CC(C#N)(C#CCC#N)OC,0,GDB ChEMBL
295891,CCOC1CC2CC1([NH3+])C2,0,GDB ChEMBL
149321,Cc1ncc(OC2CC(C)C2)c(C)c1O,1,GDB ChEMBL
280609,CC1=CCNC(C=O)CC(=O)CCC1,1,GDB ChEMBL
271117,N#CCCOCCNCC[NH3+],0,GDB ChEMBL
372079,NC(=[NH2+])C(O)c1nnccc1NC(N)=O,0,GDB ChEMBL
394872,CC1C2C=CC(C)(C)[NH+](C)CC1OCC2,0,GDB ChEMBL
255981,CC1(C)[NH2+]CC2CC(C[NH3+])NCC1CO2,0,GDB ChEMBL
274402,CC[NH+](C)CCC1(c2cccs2)CCC1C,0,GDB ChEMBL
157465,CCC(=O)c1ccc(CC)s1,1,GDB ChEMBL
49120,CC#CCCC[NH+](C)C,0,GDB ChEMBL
340545,Nc1cc(C[NH3+])nc(CC[NH3+])n1,0,GDB ChEMBL
251824,Nc1nc(N2CC(=O)NC2=O)c(CO)s1,0,GDB ChEMBL
244328,Cc1cc(O)c2c(c1)CCC2[NH3+],0,GDB ChEMBL
60672,CC1CNC(=O)C2NS(=O)(=O)CC2NC1C,0,GDB ChEMBL
23612,Oc1cc2ccc1CCC=CC#CC21CC1,0,GDB ChEMBL
78291,CNC(C[NH2+]CC1(O)CC1)C(C#N)N(C)C,0,GDB ChEMBL
4983,Cc1cc(Nc2n[nH]nc2CCO)n[nH]1,0,GDB ChEMBL
372207,COC(=O)C1N(C)C1(C)C=O,0,GDB ChEMBL
77876,O=C1NCCC23C(=O)Cn4ncc(c42)CN13,0,GDB ChEMBL
378128,CC1CC(O)C2(C)CCCCC(C)(C)C12,0,GDB ChEMBL
350656,C#CC1Nc2cc(cccc(N)ncn2)C1O,0,GDB ChEMBL
84460,Cc1cc(F)cc2c1C1CCCC(O)C1(C)C2,1,GDB ChEMBL
330929,CC([NH3+])CC(C)C1NC(C#N)C(=O)OC1CO,0,GDB ChEMBL
334152,CCC1CN(C(N)=O)CCC1[NH3+],0,GDB ChEMBL
334381,Cc1cnc(O)c(OCC(N)=O)c(=N)c1,0,GDB ChEMBL
235197,CCCC(OC)C(N)=Nc1ccc(F)cc1F,1,GDB ChEMBL
395624,CC(=O)N(CC1(C)OC1C)C(C)=O,1,GDB ChEMBL
129826,NC(=O)c1nc(NC(C[NH3+])CO)cs1,0,GDB ChEMBL
223993,CC(C[NH3+])N1CC(N)C(=O)N(C)C1=O,0,GDB ChEMBL
379226,CC(CC1(C)CCC1=O)C(=O)[O-],1,GDB ChEMBL
106593,CC(CO)CS(=O)(=O)NC(C)CO,1,GDB ChEMBL
288423,CCC(C)C([NH3+])C[NH+]=C(N)N,0,GDB ChEMBL
115931,O=C([O-])C1C(C2CO2)CN1C(=O)CO,0,GDB ChEMBL
305528,CCc1scc2c1CC([NH3+])C2,0,GDB ChEMBL
119793,CCC(=O)NC(CCNC=O)CC(=O)OC,1,GDB ChEMBL
304047,[NH2+]=C1NCC(O)CN(C=O)C1C(=O)[O-],0,GDB ChEMBL
99680,N#CCCn1cnnc1,1,GDB ChEMBL
345691,O=C([O-])CC1OC(=O)[N-]C1=O,0,GDB ChEMBL
361831,CCN1CC(CN)(C(N)=O)[NH+]=C1N,0,GDB ChEMBL
257428,C#CC1=CC=Cc2ccccc2C1CCC,0,GDB ChEMBL
21726,CC(=O)Nc1n[nH]nc1[N-]c1cc[nH]n1,0,GDB ChEMBL
257451,C[NH+]1CC2CC(=O)NCCC(CCO)CC21,0,GDB ChEMBL
47665,CCc1cc(Br)c(COC)cc1CO,1,GDB ChEMBL
118869,COC(=O)N1C2C(O)C([NH3+])C(CO)C21C,0,GDB ChEMBL
174651,C#CCN1Cc2c(ccnc2C)CC1COC,0,GDB ChEMBL
200959,O=S1(=O)C=CCCNCCOC(CO)C1,0,GDB ChEMBL
121528,CC1NC(=O)C2CC(C3=[NH+]CCN3)C1N2C,0,GDB ChEMBL
188122,C#CC1=CC2CC(C)NC(=O)CCC2C1,0,GDB ChEMBL
204693,CC#CC(CC([NH3+])CO)C(=N)NS(C)(=O)=O,0,GDB ChEMBL
271123,CCCC1CCCCC(CCCC(C)C)[NH+]1C,0,GDB ChEMBL
143520,[NH3+]C1C2OC(C3CCCO3)C1OC2=O,0,GDB ChEMBL
247619,Cc1sc([N+](=O)[O-])cc1C=O,1,GDB ChEMBL
147261,CCCC1=CCCCC(=O)C1=O,1,GDB ChEMBL
17621,CC1(C)C[NH+]=C(CCO)N1,0,GDB ChEMBL
193184,N#CCCNC(=[NH2+])Cn1cnnn1,0,GDB ChEMBL
126648,CCCC1CC2CN2C(C2CC2)CO1,0,GDB ChEMBL
148506,C[NH2+]C(C)C1C2C(C)CCN21,0,GDB ChEMBL
194487,CCCC1COC(C[NH2+]CCO)CC(CO)O1,0,GDB ChEMBL
66729,CC(C(O)C(N)C[NH3+])S(=O)(=O)NCCO,0,GDB ChEMBL
151765,CCOC(C)C(=O)C1(CCC#N)CCNC1=O,0,GDB ChEMBL
34362,CCCC(C=O)(CC)C(C)(CC)C1CCCC1,0,GDB ChEMBL
47752,N#CC(NC(N)=O)C1CC1O,1,GDB ChEMBL
142384,CCC1(CC(C)(C)C)CCC(C)(CO)CC1,1,GDB ChEMBL
374936,[NH3+]C1CC2(C[NH2+]C2)OC1CO,0,GDB ChEMBL
300932,C=CCCC1CC(C)(C=C)C[NH+]1C,0,GDB ChEMBL
87010,CN(C)C(=O)OCC(N)=O,1,GDB ChEMBL
161805,CCc1c(C)[nH]c(C(O)CC(=O)[O-])c1O,1,GDB ChEMBL
160072,CCc1cc2c(cc1I)CCCC2C(C)CC,1,GDB ChEMBL
228518,CCOC1(C(N)=[NH2+])CCCS(=O)(=O)[N-]C1=O,0,GDB ChEMBL
383929,COc1ccc2c(c1)C1CC1(C[NH3+])O2,0,GDB ChEMBL
34402,O=C1[N-]S(=O)(=O)c2c(CO)cnc(Cl)c21,0,GDB ChEMBL
304400,CCN1CCN(C)C2(C)CC(C(C)C)C1C2[NH3+],0,GDB ChEMBL
362060,CC(OC=O)C1CCC(O)C1[NH3+],0,GDB ChEMBL
127157,CC1OC(C)C1CS(=O)(=O)CCNS(C)(=O)=O,1,GDB ChEMBL
254982,CC1CC([NH3+])C(O)C(C)C(C[NH+]=C(N)N)O1,0,GDB ChEMBL
227638,CC1CC(O)C(C(O)C[NH3+])C1,0,GDB ChEMBL
304412,CC(CO)C([NH3+])C#CCS(N)(=O)=O,0,GDB ChEMBL
97085,CCC=CCC(C)C1CC(C)(O)C1,1,GDB ChEMBL
100705,CCc1cc(C=O)cc(Br)c1Br,1,GDB ChEMBL
81126,CC(O)CN(CC1(O)CC1C)S(C)(=O)=O,1,GDB ChEMBL
6480,COC(CO)C(C=O)(CC(N)=[NH2+])C(N)=O,0,GDB ChEMBL
286308,CC1C[NH2+]CCCC2N(C)C(=O)C12N,0,GDB ChEMBL
181111,C#CC(C)(O)CCCc1csc(C)c1C[NH3+],0,GDB ChEMBL
165614,CCCC1C[NH2+]CCC2CC3CC3OC1C2,0,GDB ChEMBL
16045,COC1CC2C3CCOC2C1[NH2+]3,0,GDB ChEMBL
38479,[NH2+]=C1NC(C(=O)[O-])CCC=CC1=NO,0,GDB ChEMBL
99115,C[NH+]1CC(O)C2CC1C1CC21C,0,GDB ChEMBL
40054,CCC1(CC)C=CC2CC=CCCCC2C1,0,GDB ChEMBL
218607,CCCC1OC12C=CCCCOC2=O,0,GDB ChEMBL
118145,CC1NC(=O)NCC2=CC1(C[NH3+])OC2=O,0,GDB ChEMBL
127275,COC1CC[NH2+]C1(C(N)=O)C1CN1,0,GDB ChEMBL
215466,CCC(=[NH2+])NCC1OC(C)C([NH3+])C1C,0,GDB ChEMBL
116619,CC1CC(NCC=O)C(=O)N1,1,GDB ChEMBL
368215,CCc1cc(Cl)cc(Cl)c1C[NH+](C)C,0,GDB ChEMBL
286827,CC1C([NH+](CCO)C(C)(C)C)CCN1C,0,GDB ChEMBL
227496,CC1CC(=O)NC2CC(=O)NCC12,0,GDB ChEMBL
186775,Nc1ccc(CC2=CC(=O)CC2)c(N)[nH+]1,0,GDB ChEMBL
247339,CCCCCc1cc(CCCC)nc(Br)c1O,1,GDB ChEMBL
210225,CCC(C)(O)C1CC2C(C)[NH2+]CC2[NH+]1C,0,GDB ChEMBL
318028,C=CCC#Cc1cc(C(N)=[NH2+])cs1,0,GDB ChEMBL
129391,COCC1C2(CCC(C)C)CCC1(O)C(O)C2,0,GDB ChEMBL
389637,CC1CC2=C(C1)C1CC2c2cccc(Br)c21,0,GDB ChEMBL
84206,CCN1CC2CC([NH2+]C)C1C2=O,0,GDB ChEMBL
325764,C#CCOC(CO)C1(C)CC(CO)C(=O)N1C,0,GDB ChEMBL
38178,CCCCC1CC2(CO)[NH2+]CC(C)C2(CC)C1,0,GDB ChEMBL
148204,CC(=O)[N-]S(=O)(=O)CC#CC1CC([NH3+])C1,0,GDB ChEMBL
53697,C#C[C-](C#N)N=CNCCC,0,GDB ChEMBL
220151,CNC(=[NH2+])OC(C)(C[NH3+])C(N)=O,0,GDB ChEMBL
282185,C#CCNC(=O)C(C)C(N)C(O)S(N)(=O)=O,0,GDB ChEMBL
313728,CC(C)(C[NH3+])C(C#N)C1(CNC(N)=[NH2+])CC1,0,GDB ChEMBL
848,CN1C=C2C(=O)OCC2(C#N)C1,0,GDB ChEMBL
201100,CCOc1ccnn1C(CC)(CC)CCC#N,0,GDB ChEMBL
88138,C=CCN(C=CCC1CC1)C(C)=O,0,GDB ChEMBL
279978,CCC1CC2(CC2)[NH2+]C1CC,0,GDB ChEMBL
127193,CC(N)C(C#N)NS(C)(=O)=O,1,GDB ChEMBL
260740,C#CCc1cc(F)c2ccc(CC)cc2c1,1,GDB ChEMBL
223316,CC(=O)NC(=O)C1NCC(C)CC2COC1=N2,0,GDB ChEMBL
248248,C[NH+]1CCC23OC2C(O)C(C)(C)CC3C1,0,GDB ChEMBL
355413,CC1C(NC=O)C2C(=NO)CN1C2CO,0,GDB ChEMBL
67326,COC(=O)C([NH+]=C(C)N)C(C=O)C(C)=O,0,GDB ChEMBL
44957,CC1CC(CO)C2[NH2+]CCC2(O)C1,0,GDB ChEMBL
6531,CCc1nc(C2([NH3+])CC2)nnc1C(N)=O,0,GDB ChEMBL
112863,Cc1sccc1C1CC(C(=O)OC(C)C)C1,1,GDB ChEMBL
209426,Cc1ccc(NCCOCC#N)c(C)c1,1,GDB ChEMBL
362634,CCCCCC1(C)C=CC2CCCC21,0,GDB ChEMBL
120376,CCOCC12CCCC(C(C(C)[NH3+])CC1)[NH+]2C,0,GDB ChEMBL
358126,O=c1cc(C(O)C2CCCC2)c(Cl)n[nH]1,1,GDB ChEMBL
271128,COC1C2OC(=O)C(C2O)C1(O)C(N)=O,0,GDB ChEMBL
367755,CCCC(C)(C1CCCC1)C(CC)C(C)CC,0,GDB ChEMBL
17290,CC1CCC[NH+]2CCC(O1)C2C(=O)[O-],0,GDB ChEMBL
312862,CCN(C=O)C1(CC(C)CCO)CCC1,1,GDB ChEMBL
271841,N#CCCc1cc([O-])no1,0,GDB ChEMBL
312838,C#Cc1ccc(F)c(C23C=CC(O2)C3C)c1,0,GDB ChEMBL
174006,CC1OCC2CC1(C)C(CO)C2O,0,GDB ChEMBL
75010,C=CC1CC(n2cc(N)cn2)C[NH2+]1,0,GDB ChEMBL
288927,NC(=[NH2+])Nc1nc(N)cc(F)n1,0,GDB ChEMBL
255389,CCC1[NH2+]C2(CC)CCC1C2,0,GDB ChEMBL
258737,CCC1=C(C)CC(C)CCC(C)=CCC1,0,GDB ChEMBL
201439,CC#CCc1cc(Cl)cc(Cl)c1C,1,GDB ChEMBL
122870,C#CC1CC(=O)CC(C(C)O)C1,1,GDB ChEMBL
273461,NC(=[NH2+])C(CO)C(N)C(=O)NC(N)=O,0,GDB ChEMBL
151741,CC(CC#N)C1=CCC(O)C1,1,GDB ChEMBL
268136,C[NH+]=CN(C)C(=[NH2+])NCCO,0,GDB ChEMBL
173996,[NH3+]C1CC2C(=O)NC1CC2[NH3+],0,GDB ChEMBL
274020,CC1CC2COCC(CC1[NH3+])O2,0,GDB ChEMBL
342332,COCC[NH+]1CCCC(O)C(N)(COC)C1C,0,GDB ChEMBL
251955,CCCC(CO)CCCC=C(C)C,1,GDB ChEMBL
386686,COC1CC2[NH2+]C3CC2C(C)C3C1,0,GDB ChEMBL
311669,CS(=O)(=O)CCNc1cnc(=O)[nH]c1,1,GDB ChEMBL
366509,CCCCC(C)[NH+]1C2CC1C(C)C2C,0,GDB ChEMBL
391810,CCc1cc(CC)c(F)c(CC2CC2)c1,1,GDB ChEMBL
80440,CC#CC1C([NH2+]C)C(=O)[N-]S1(=O)=O,0,GDB ChEMBL
133942,NC(N)=[NH+]Cc1ncsc1CC([NH3+])CO,0,GDB ChEMBL
38488,CC(=O)NCCCC1[NH2+]C1(C)C,0,GDB ChEMBL
150133,[NH3+]CC1CCCCC23CCCC12OC(=O)N3,0,GDB ChEMBL
137408,CC[NH2+]C(COC)C1CC(C[NH3+])(C[NH3+])C1,0,GDB ChEMBL
144604,O=Cn1nnc2c1CCCNC2=O,1,GDB ChEMBL
179990,COCc1cn(C)ncc1=O,1,GDB ChEMBL
107049,CC(C)C1CN1C1CCOC1,1,GDB ChEMBL
383936,COCC1CC(C)(C)Cc2c(Cl)ccc(Cl)c21,0,GDB ChEMBL
355389,[NH3+]CCC1CC2CCCC1CC2,0,GDB ChEMBL
186769,CC1OC2C(N)C2(C(N)=O)NC1CO,0,GDB ChEMBL
135425,C[NH2+]Cc1nc(CC(O)COC)nn1C,0,GDB ChEMBL
48182,CC12CN(C1)C(C#N)C(C)(CCC[NH3+])C[NH2+]2,0,GDB ChEMBL
391686,Cc1cc(C#N)c2c(C)n[nH]c2c1I,1,GDB ChEMBL
191732,C#CC[NH+]=C(N)C(CC)CC[NH3+],0,GDB ChEMBL
222905,COC1COC2(C=C(C)CCCC2)C1,0,GDB ChEMBL
43564,CC1=CCC[NH2+]CC(C)C=C1,0,GDB ChEMBL
354769,CC1C=CC2C(O)CCC1C2C,0,GDB ChEMBL
20141,N=C1NC2(C(=O)[O-])CCC[NH+]=C(N)C2O1,0,GDB ChEMBL
179329,O=c1cnncc(CO)c1NCCCO,0,GDB ChEMBL
174279,CC12CC(O)C(O1)C(C([NH+]=C(N)N)C(=O)[O-])O2,0,GDB ChEMBL
334401,CC1C2CCCCC(CC2)C1C,0,GDB ChEMBL
9778,COC(=O)C1CC1(O)C(C#N)=N[O-],0,GDB ChEMBL
120509,CC1CC1C[NH+](C)CC1=CCC(=O)N1,0,GDB ChEMBL
338103,CCCCC1CCC2C=CC1C2C,0,GDB ChEMBL
368530,COC(CNC(N)=[NH2+])C1CC[NH+]1C,0,GDB ChEMBL
161936,Fc1cccc2c1CCCC21CC1,1,GDB ChEMBL
235536,CC(C)(C)C1(C)CC([NH+]2CCC(O)C2)CO1,0,GDB ChEMBL
29488,CC(O)C1C2C3CCC(C3)[NH+]2C(C)CN1C,0,GDB ChEMBL
394379,Cc1c(CC2OCCO2)ccc2c[nH+]cn12,0,GDB ChEMBL
233423,CCCC1CC[NH+](C)C1C(C)OCC(F)(F)F,0,GDB ChEMBL
89113,CC(CCC[NH3+])[NH+](C)C1CCCCC1,0,GDB ChEMBL
258208,CCC1c2cc(Br)ccc2C2OCC12,0,GDB ChEMBL
54806,CC(C1C[NH2+]1)C(O)C([NH3+])CO,0,GDB ChEMBL
182867,C#CC1CCCC(C)=CCC2OC12C,0,GDB ChEMBL
175545,CNC(NCC(O)C(O)C1CC1C#N)=[NH+]C,0,GDB ChEMBL
6084,C#CCC1C=CC=CCCC(C)(C)C1,0,GDB ChEMBL
279285,N#CC(N)(c1nccs1)C(CCO)CC(N)=[NH2+],0,GDB ChEMBL
277428,CCOC1(C#N)C(O)C1(N)C([NH3+])C(=O)[O-],0,GDB ChEMBL
323362,COC1CC2OC(N)=NC2C1O,1,GDB ChEMBL
122864,CC(C)CN(C)C1=[NH+]C(C)CC1(N)CNC=O,0,GDB ChEMBL
393959,CC12OC(C(N)=NC1CC(=O)[O-])C([NH3+])C2CO,0,GDB ChEMBL
81064,CC1CC2C(C1O)C2([NH3+])C(=O)[O-],0,GDB ChEMBL
132247,COC(=O)c1nc(C(C)=O)no1,1,GDB ChEMBL
168451,CCc1c(CC(C)[NH3+])ccc(F)c1C(C)(C)C,0,GDB ChEMBL
9757,[NH3+]C(CO)C1CN2CCNC(=O)C12,0,GDB ChEMBL
171293,CC1N(C(=N)N)C(=O)OC1(CO)C(=O)[O-],0,GDB ChEMBL
16485,CNC(=[NH2+])c1c(C)n[nH]c1NCC(C)C(=O)[O-],0,GDB ChEMBL
93129,CS(=O)(=O)NC(C(=O)[O-])C1OC1CO,0,GDB ChEMBL
277979,CCCC1(CCn2cc(C)cn2)OC1(C)C,1,GDB ChEMBL
208442,CC(C)C1C2CC(C2O)[NH+]1C,0,GDB ChEMBL
99839,CC1C2OCC(O)(C1O)C2NC(N)=O,0,GDB ChEMBL
173174,CCc1nn(CC2CCOCC2)cc1C,1,GDB ChEMBL
88844,CC(O)C[NH+](C)C1C2CCC21,0,GDB ChEMBL
345742,CN1CCCC2=CCCC([NH3+])C2(C)C1C#N,0,GDB ChEMBL
174876,CC1CC(CO)(CO)C(CS(C)(=O)=O)C(N)=[NH+]1,0,GDB ChEMBL
207294,COC1C(CO)OCC2C(C(N)=O)C21[NH3+],0,GDB ChEMBL
829,C=CC1(CC=CCCCC)CC[NH2+]1,0,GDB ChEMBL
29774,CC1COCC2(C)N1CC2(C#N)NC(N)=[NH2+],0,GDB ChEMBL
112542,C#CC1CCC2C(CC[NH+]2C)C(C#C)CC1C,0,GDB ChEMBL
277857,CCC1(C[NH3+])CC(=O)NC=NC1CO,0,GDB ChEMBL
127171,COC(C)(C)CC[NH2+]Cc1cc([O-])on1,0,GDB ChEMBL
215404,N#CCOC1CC(C(=O)[O-])C(=O)O1,0,GDB ChEMBL
317595,CC([NH3+])C1C[NH2+]C(C(C)O)C1,0,GDB ChEMBL
151245,CCCCc1cc(C#CC(C)C)[nH]c1C,1,GDB ChEMBL
338247,CC(C(=O)[O-])C(=O)N1C(=N)NC(C#N)C1C=O,0,GDB ChEMBL
330132,CC1CC2CC([NH3+])CC(CO2)N(C(N)=O)C1=N,0,GDB ChEMBL
79276,COC1C2(CO)CC(=O)N(C)C12C[NH3+],0,GDB ChEMBL
108120,N#CC1CC([NH3+])C(OS(N)(=O)=O)CN1,0,GDB ChEMBL
135826,[NH2+]=C1NCC2CC(O)CC1CC(=O)O2,0,GDB ChEMBL
259345,CCC(C)C(C)C(=[NH2+])NC,0,GDB ChEMBL
64057,CC1(C)CC(CC(O)C2CO2)OC(=O)N1,1,GDB ChEMBL
207305,NC1=NCC(O)CCN1C=O,1,GDB ChEMBL
102160,CCCC1CC2C3C[NH2+]C2C1C3,0,GDB ChEMBL
95505,CCC1C2CNC(=O)C3OC2OC31,0,GDB ChEMBL
84228,CC1=CCCCC1C1(C)CCC(C)C1,0,GDB ChEMBL
58945,CC12C=CC(=O)NCC(C1)C2O,0,GDB ChEMBL
179460,CCCC1=CC(C2CC2)[NH2+]C1,0,GDB ChEMBL
137127,CC12CC=CC([NH2+]1)C(C[NH3+])C2,0,GDB ChEMBL
383079,Cc1c(Cl)cc2c(c1C)CCC21CC1,1,GDB ChEMBL
301141,CC1(C(O)C(O)C[NH3+])CO1,0,GDB ChEMBL
27810,N#CC1CC(=O)CN(C(=[NH2+])NCC(=O)[O-])C=N1,0,GDB ChEMBL
379851,Cc1cc2c(c(N)n1)CCC2[NH3+],0,GDB ChEMBL
102165,CCC(=O)[N-]S(=O)(=O)C(O)CC(=O)OC,0,GDB ChEMBL
361152,CC1C(C[NH3+])C[NH+]1CCO,0,GDB ChEMBL
218602,CC1[NH2+]C2CC(C(=O)C2C)C1O,0,GDB ChEMBL
132214,C[NH2+]CC1C(C)C([NH3+])C(=O)OC1C(C)C,0,GDB ChEMBL
50915,N#CC[N-]C(=O)C([NH3+])CO,1,GDB ChEMBL
374158,C[NH2+]C1(C)CC(C=O)NC(=O)OC(C)(C)C1=O,0,GDB ChEMBL
200728,CC(=[NH2+])NC(N)=NC(CO)C(=O)CO,0,GDB ChEMBL
310753,COc1ncc(S(N)(=O)=O)c(Cl)n1,1,GDB ChEMBL
236697,CNC1C(=O)NCCC2NC(=[NH2+])C1(O)C2CO,0,GDB ChEMBL
235212,C#CC1CC(CC)(CC)CCC1CC,1,GDB ChEMBL
263825,C[NH2+]C1CC(C)(O)CC1=O,0,GDB ChEMBL
296362,N#CCC(N)(C#N)CC(O)CCNC=O,0,GDB ChEMBL
247187,C#CC[NH2+]CCC#CCCO,0,GDB ChEMBL
323132,Cc1cc(N2CCCC(=[NH2+])NCC2)cn1C,0,GDB ChEMBL
121999,CCC(Cc1cc(Cl)c(C)c(Cl)c1C)C(C)C,1,GDB ChEMBL
303303,C#CC(CO)(CO)OC(CC(C)C)C(=O)CC,1,GDB ChEMBL
208302,CC(C)[NH2+]CC(CN)n1c(O)cccc1=O,0,GDB ChEMBL
203270,COCc1cc[nH]c(=O)c1,1,GDB ChEMBL
64610,CNC(=O)CC1(C)CNC(=[NH2+])N1,0,GDB ChEMBL
95517,CCCC1CC12NC(=O)CCC2[NH3+],0,GDB ChEMBL
77803,C#Cc1cc(O)cc2cnsc12,1,GDB ChEMBL
173997,CCC(C)C(C)C1C=CC=CCCC1,0,GDB ChEMBL
156017,CC([NH3+])CC(O)C([NH3+])C(O)C(N)C(N)=O,0,GDB ChEMBL
390074,CCOCC1NC1(C=O)CCCO,0,GDB ChEMBL
358926,CCC(O)(CC)CC(CC[NH+]=CN)C[NH2+]C,0,GDB ChEMBL
144539,CC1=CC(C)(C#N)C2CC(C(N)=O)C1[NH2+]2,0,GDB ChEMBL
262553,CC(O)CC(=O)C1Cc2c(ncn2C)OC1=O,0,GDB ChEMBL
198833,CC(N)(CO)C1CCC2CC3CC3[NH+]21,0,GDB ChEMBL
201171,[NH3+]CC(O)C1C(CO)NC(=O)C(C[NH3+])C1C[NH3+],0,GDB ChEMBL
307562,CNC(=O)OC1(C)CC[NH2+]C(C=O)C(C)(C)C1,0,GDB ChEMBL
227746,CC(Cn1cc(N)c2c1OCCC2)C(N)=O,0,GDB ChEMBL
340455,CCNC(=O)n1ccc(C(C)(C)C)c1,1,GDB ChEMBL
243352,COCC1C2C=CC(C)C1CC2,0,GDB ChEMBL
6825,CC1CCC(C)(C)C(=O)C1,1,GDB ChEMBL
384307,CC(C)(C#N)CC1(CC[NH3+])CC1NC=O,0,GDB ChEMBL
21835,CCC(C)(C)C1C(=O)NC2CC(=O)CCCC21,0,GDB ChEMBL
153712,CNc1cncc(NC(C)CC=O)c1,1,GDB ChEMBL
137068,CC1OC(=O)C2(CCC2[NH3+])C1O,0,GDB ChEMBL
387102,CCOCC1CCC(CC)(CC)CCC1(C)[NH3+],0,GDB ChEMBL
235957,COC1C([NH3+])C(O)C(C[NH3+])C1CO,0,GDB ChEMBL
47238,O=C1NC2C3CCC4C(N1)C4C32,0,GDB ChEMBL
195388,C#CCN=C(N)OCCCC1CCC1,1,GDB ChEMBL
40248,C#CC1(O)CC(OC)C(OC(C)=O)C1O,1,GDB ChEMBL
391467,COC(=O)C(O)C1CC(N)=[NH+]C(C(N)C#N)C1,0,GDB ChEMBL
65616,COC1C(CC(N)=[NH2+])C1OC(C)=O,0,GDB ChEMBL
24767,CNC(=O)C1(C(=O)[O-])NCC1[NH3+],0,GDB ChEMBL
358614,C=CCCCC1C2CC3CC3CC12,1,GDB ChEMBL
360836,CCC1C2C[NH+](C2)C1C(C)N(C)CC,0,GDB ChEMBL
311376,C[NH2+]C1CN(C)C(C#N)C1(C)C(N)C(N)=O,0,GDB ChEMBL
318050,C#CC1CC(C(=O)CC(C)C)=CN1,0,GDB ChEMBL
324316,Cc1cc(F)cc(C(=O)CO)c1,1,GDB ChEMBL
395622,CCC1(C(C)C)CC1C(C)[NH2+]C,0,GDB ChEMBL
341162,COCC(C=O)COc1cc(O)c(Br)c(O)c1,1,GDB ChEMBL
341925,CCCNC=[NH+]Cc1c(C[NH3+])cc(Br)nc1N,0,GDB ChEMBL
40256,COCC[NH2+]CC1(CO)CC(C#N)CNC1=O,0,GDB ChEMBL
76498,N#CC1(N)CC2CC(C(=O)[O-])NC(=O)NC21,0,GDB ChEMBL
60652,N#Cc1cnc(N)c(C2OC2C[NH3+])c1C[NH3+],0,GDB ChEMBL
79325,CC1CC1C1CC(O)C([NH3+])C1O,0,GDB ChEMBL
148547,CCCC(O)c1sc(C(=O)[O-])c(O)c1C,0,GDB ChEMBL
44640,C[NH2+]CC1OCCC#CC(CCO)C(C)O1,0,GDB ChEMBL
132685,COCC(O)C(N)C(C#N)C([NH+]=CN)C(=O)[O-],0,GDB ChEMBL
382955,CC1CN(C)C(CC#N)=[NH+]1,0,GDB ChEMBL
124300,CCC1(C[NH2+]C)C=C(C)CC1,0,GDB ChEMBL
37138,CCC(C)C(=O)C1COC(C)(C)C1C(N)=[NH2+],0,GDB ChEMBL
354158,COC1CC2C3C4CCCC[NH+](C4)C(C1)C23,0,GDB ChEMBL
207412,CC1(O)CCCOCCOC(=O)C1,1,GDB ChEMBL
80329,CC(C(O)C[NH3+])C1C=CC(CO)C(C)[NH+]1C,0,GDB ChEMBL
337953,COC1CN(CC(=O)CO)C(N)=[NH+]C(C)C1O,0,GDB ChEMBL
255140,C[NH2+]Cc1occc1C1CC(=O)CC(C)C1,0,GDB ChEMBL
142919,CC(O)C1NC(=O)C(=O)C2OCC1O2,0,GDB ChEMBL
184480,CN1CC2([NH3+])CCC([NH3+])(CC2)C1,0,GDB ChEMBL
208596,CCCC1(C)CCC[NH+]1Cc1c[nH]c(C)c1C,0,GDB ChEMBL
256120,CCCC1(C)CC(CC(C)C)C2CC21,0,GDB ChEMBL
230418,CCC(=O)OCC(=O)C(=O)N(C)C,1,GDB ChEMBL
174841,C#CC1(O)C(C)C(C[NH3+])OC(C)C1C(C)CC,0,GDB ChEMBL
2325,C#CC1CC#CCCCCC(C)=CC1,1,GDB ChEMBL
334425,CCc1cnc(Cl)c(C)c1Cl,1,GDB ChEMBL
25163,CCC1CCOCCC1C(C)C1CC1,0,GDB ChEMBL
314121,O=C([O-])Cc1[nH]cnc1CC1CN1,0,GDB ChEMBL
9707,COC1OC2CC[NH+](CCN3C(CO)C13)C2,0,GDB ChEMBL
206786,N=C1CCNC2(CC2)C(=O)N1,1,GDB ChEMBL
30362,CCN1CCC(C#N)C1=[NH2+],0,GDB ChEMBL
272581,CC1=CC(=O)C(C(C)C)C1,1,GDB ChEMBL
64355,CCCC1(CC(C)(C)C)CC1,1,GDB ChEMBL
168466,C#CC(C)(C)C(C)C(CCO)c1ccccc1,0,GDB ChEMBL
361659,c1cnc2c(c1)C1C3CC2[NH2+]C31,0,GDB ChEMBL
379227,NC(=[NH2+])CC1CN(CC[NH3+])C(=O)C1O,0,GDB ChEMBL
247161,Cc1cc(F)cc(C(CO)CC([NH3+])C(C)C)c1,0,GDB ChEMBL
23920,CCC(C(O)CO)C1CC1C,0,GDB ChEMBL
334702,C#CC[NH+](C)CC#CCC,1,GDB ChEMBL
68503,CCCCOc1c(Br)ccc(C)c1C#N,1,GDB ChEMBL
186545,CC=C1CCN(C(=O)C[NH3+])C1CO,0,GDB ChEMBL
31775,CN1CCOC(CC(C)(O)C(=O)C=N[O-])C1,0,GDB ChEMBL
349505,C[NH2+]CC1CC2C(CC[NH3+])CC(C#N)CC2O1,0,GDB ChEMBL
269174,CC1=CC2C(C#N)CC(C)C2C1,1,GDB ChEMBL
181586,CCc1cc(C)ncccn2c1COCC2C,0,GDB ChEMBL
259667,CC1(C)CC(C)(C)C(C2CC2)CO1,0,GDB ChEMBL
38482,CCC(C)OCC1([NH3+])CC1C(N)C[NH3+],0,GDB ChEMBL
73284,CC(O)Cc1csc(N2CCC(=O)NC2=O)n1,1,GDB ChEMBL
367607,CCC(CO)S(=O)(=O)Nc1cn[nH]c1,1,GDB ChEMBL
318785,Cc1ccc2c3c1C(C)C(C)[NH2+]C1C(C2)C31,0,GDB ChEMBL
134784,C=CC(CC(C)C)CC(C)C=CC,0,GDB ChEMBL
336594,Cc1nc(=O)c(N)c[nH]cc(C(N)=O)nc1N,0,GDB ChEMBL
126351,CCCCCCC#CC1(CC)C[NH+](C)C1,0,GDB ChEMBL
172362,CC1C([NH3+])CC(=N)NC(=O)C1O,0,GDB ChEMBL
81625,CCC(C)CC1C(O)C(C)C2C1C2(C)C,0,GDB ChEMBL
358482,COCC1N=C(N)C(=O)[N-]C(C#N)C(N)C1O,0,GDB ChEMBL
244517,CNc1cnc(C)c(C(=O)[O-])csc(C[NH3+])n1,0,GDB ChEMBL
38148,C[NH2+]C1C2NCCCC21C,0,GDB ChEMBL
161948,CC1N=C(N)N(C=O)CC(=O)C1C#N,0,GDB ChEMBL
190419,O=C1OC2COC1C1[NH2+]C2CC1O,0,GDB ChEMBL
250519,CC1CC=CCC(CCO)=CC1,1,GDB ChEMBL
219545,COCC(O)C(C=O)CC(=[NH2+])NCC(=O)[O-],0,GDB ChEMBL
115705,CNc1nc(CCO)cc(O)c1[N+](=O)[O-],1,GDB ChEMBL
289817,CC(C)CC1C2(C)CC(OC2C)C1(C)C(C)C,0,GDB ChEMBL
228290,C[NH2+]CC1C(O)CC2(C)CC(O)CC12,0,GDB ChEMBL
218320,CNS(=O)(=O)CC([NH3+])CC(C)(C#N)OC,0,GDB ChEMBL
225444,CNC(=O)OC1=NCCC1(C)[NH3+],0,GDB ChEMBL
181555,CC#CC1CC(C)=CC1CC(C)C[NH2+]C,0,GDB ChEMBL
336570,N#CC1C(C(OC(N)=O)C(=O)[O-])N1C=O,0,GDB ChEMBL
315221,C[NH2+]CC(c1cn(C)cn1)S(C)(=O)=O,0,GDB ChEMBL
204512,CCC1CC=CC1C(O)C[NH3+],0,GDB ChEMBL
332651,Cn1c(Cl)c2c(cc1=O)CC[NH2+]C2,0,GDB ChEMBL
113475,CCCCC1C=CC(C)CC=CCC1,1,GDB ChEMBL
356500,C[NH2+]CC12CC([NH3+])C(O)CC1C2[NH+](C)C,0,GDB ChEMBL
383347,C#CC(CC)C(C)Cc1cc(C)c(I)cc1C,1,GDB ChEMBL
33834,CC1(O)C2CN(CC#N)CC(=O)C1NC2=[NH2+],0,GDB ChEMBL
181711,Cc1cc(C#CCC=O)cc(C)c1CO,1,GDB ChEMBL
386557,CC(C)n1cc(CC2CC2)[nH]c1=O,1,GDB ChEMBL
142342,COC(=O)NC(=N)C1COC(=N)NC1=O,0,GDB ChEMBL
34949,COC1C(C[NH3+])NC1CO,0,GDB ChEMBL
376005,CC1CC1C1C([NH3+])C1COCCO,0,GDB ChEMBL
99131,CCCC12CN(C=O)CC(OC)C1O2,0,GDB ChEMBL
299944,NC(=O)C1C(CS(N)(=O)=O)CC2NC2C1O,0,GDB ChEMBL
362367,C#Cc1cc(Br)c(CC)c(OC)c1C(C)C[NH3+],0,GDB ChEMBL
312880,CC(C)(CC[NH3+])c1ccc2nc(Br)ncc2c1,0,GDB ChEMBL
140803,CCCOC(CC#N)COC,1,GDB ChEMBL
376971,CCCC(C)(C=O)OCC(C)CCC(C)C,1,GDB ChEMBL
321422,CCOC1C2CC([NH3+])C(N)C1(C(C)C)C(=O)O2,0,GDB ChEMBL
140344,NC1=NC2C(CC(O)C[NH2+]C2C(=O)[O-])O1,0,GDB ChEMBL
148380,CC12C(=O)NC(C1O)C2C[NH3+],0,GDB ChEMBL
41280,CCc1nccc(C)c1NC,1,GDB ChEMBL
182262,COc1cscc1C(C)(C)C#N,1,GDB ChEMBL
94592,CC#Cc1cc2c(cc1Br)CC(C)N2C,1,GDB ChEMBL
252106,CCCCC(CC)CC1CC2CCC2C1C,0,GDB ChEMBL
150533,CCC([NH2+]C)c1cnc(C)cn1,0,GDB ChEMBL
204183,CC1CC(O)C(CO)C(C)[NH2+]1,0,GDB ChEMBL
297059,O=C([O-])c1cc([O-])c2nonc2c1,0,GDB ChEMBL
322960,C#Cc1c(CC(C)C)c(Br)cc(C)c1C(C)C,1,GDB ChEMBL
45930,CC([NH3+])C(N)(C(N)=O)C(N)C(=O)[O-],0,GDB ChEMBL
95545,CCOC1(CC#N)CC1C[NH3+],1,GDB ChEMBL
130843,CC(C(=O)[O-])C(O)C1C(O)C1(N)C#N,1,GDB ChEMBL
47388,COC(C)C1C[NH2+]CCC1(O)C([NH3+])CN,0,GDB ChEMBL
107798,C=C(C)CN(C)CC(=C)C(F)(F)F,1,GDB ChEMBL
383811,CCC1C2[NH2+]CC(OC)C1C2C(C)=O,0,GDB ChEMBL
132663,CCC1[NH2+]CCc2scnc2C1O,0,GDB ChEMBL
222199,CC1[NH2+]CC2CC(=O)C(O2)C(O)C1O,0,GDB ChEMBL
147902,C[NH+]1CCC2CC3(CC3)CC2C1,0,GDB ChEMBL
378232,CC1(C)NC(c2ccoc2)C(CC#N)NC1=O,0,GDB ChEMBL
383742,CC(O)CC(C(C)C(O)CC#N)[NH+](C)C,0,GDB ChEMBL
278000,[NH3+]C1CC2(O)C(C(=O)OCCO)C2(O)C1O,0,GDB ChEMBL
281969,CC#CC1(CNCC[NH3+])C[NH2+]C(C)CO1,0,GDB ChEMBL
302314,N#CC1(CS(N)(=O)=O)CCOCCCCN1,0,GDB ChEMBL
190015,[NH3+]CCOc1nsc(NC(=O)CO)n1,0,GDB ChEMBL
337806,C#CCC1COC(=N)N1C(=O)CO,1,GDB ChEMBL
334709,CC#CC(C)Cc1c(Cl)cccc1CCC,1,GDB ChEMBL
37597,CCC12C=CCC1C1CC(C)(C[NH+]1C)C2,0,GDB ChEMBL
195453,CNc1noc2c(C#N)c(F)nc(N)c12,0,GDB ChEMBL
218770,CC1CC(C(=O)[O-])C2([NH2+]1)C(C)CC2C,0,GDB ChEMBL
190859,CN1C(CNC(N)=[NH2+])C1(CO)C(N)=O,0,GDB ChEMBL
121727,CC1NCC(C#N)C2OCCC12O,0,GDB ChEMBL
141915,NC(=[NH2+])C1CC2(C(=O)[O-])NC(=O)OC12CO,0,GDB ChEMBL
276030,Clc1cc(-c2ccco2)ccn1,1,GDB ChEMBL
379228,CCC(C)C(C(CC)C(C)C)C1(C)CC1,0,GDB ChEMBL
366769,CCNc1ccoc(=O)cccc(C(=O)[O-])[nH+]1,0,GDB ChEMBL
300499,CC(=O)C(=N[O-])C12CCC(CC1)OC(=O)N2,0,GDB ChEMBL
271361,CCC1CC(NC=O)C(CO)(C(=O)[O-])CC1=O,0,GDB ChEMBL
864,C#Cc1c(Br)cc(C2CC2)nc1C(=O)CC,1,GDB ChEMBL
383687,CCCC(O)CC1=CC=CC(=O)CCC1,0,GDB ChEMBL
37615,CCC1CC2CC(C)(C)CCC2C1CC,0,GDB ChEMBL
198621,NC(=O)C1C2CC([NH3+])C(O)C1NC2=O,0,GDB ChEMBL
150486,C#CCC1=CC(C[NH2+]C)CNC1=O,0,GDB ChEMBL
43544,CC1CC([NH3+])CNC(=O)[N-]S(=O)(=O)C2CC12,0,GDB ChEMBL
304469,CC(O)CC12CC(C(CO)[NH2+]1)C(O)(C[NH3+])C2,0,GDB ChEMBL
118665,CC1C(=O)OC2CC1N(C=O)C2=O,1,GDB ChEMBL
228359,[NH3+]C1CC2(C=CCO2)CC1O,0,GDB ChEMBL
396745,COCCC1(CCC#N)OC1C(C)C,0,GDB ChEMBL
9808,OCC1=CC2CC[NH+](C1)C1CCC(O)C1C2,0,GDB ChEMBL
357666,C1=CCC2C(C1)CC1CCC2[NH2+]1,0,GDB ChEMBL
50996,CCC(=N)Nc1ncc(C[NH3+])s1,1,GDB ChEMBL
190436,COc1c(F)cc2c(c1C)C1CCC(C)C1C2,0,GDB ChEMBL
94906,C#CCC(C[NH3+])(CCC(=O)[O-])NC(=O)CO,0,GDB ChEMBL
24733,CCC(C)[NH+]=C(C)Nc1cnc(O)c(C)c1,0,GDB ChEMBL
273695,COC(N)=NC(C)(CN)C(N)=O,0,GDB ChEMBL
247625,C#CC(CC=O)CCCO,1,GDB ChEMBL
199074,CCN(C)C1=[NH+]C(C(N)=O)C2C(C)CCCN12,0,GDB ChEMBL
34943,CN(CC(C#N)S(=O)(=O)[O-])C1CCOC1=O,0,GDB ChEMBL
19635,Cn1cc(CCC(N)=O)c2c1C(=[NH2+])NCC2=O,0,GDB ChEMBL
376030,CCCC(CC)(C1CCCCC1C)C(C)(C)C,0,GDB ChEMBL
203499,Cc1cc(Cl)c2c(c1)CCCC=C2,1,GDB ChEMBL
246390,CCC1CC=CCC2CCC1(C)CC2,0,GDB ChEMBL
118896,COC(C(=O)[O-])(C(C)[NH3+])C(O)C(=O)[O-],0,GDB ChEMBL
316254,C#CC1CCC(C(=O)[O-])CN1C(=[NH2+])C(C)(C)C,0,GDB ChEMBL
104440,CC1(C)CC2COC(C)(C)C(C2)NCC1=O,0,GDB ChEMBL
184647,CCC1C2CCCOC1C1C2CCCC1(C)C,0,GDB ChEMBL
235226,C#CC[NH+](C)Cc1c(C)cc(CCC)cc1N,0,GDB ChEMBL
71658,CC(=O)OC(=N)C(CN)(C[NH3+])C[NH3+],0,GDB ChEMBL
222108,NC(=O)C12NCC([NH3+])C1C2(O)CO,0,GDB ChEMBL
76781,CC1([NH3+])CC1c1cccs1,0,GDB ChEMBL
152041,CC(O)C1CNC(=O)CC(C[NH3+])CC1(O)CO,0,GDB ChEMBL
159691,COC(CC#N)(CCCC#N)CC[NH2+]CCO,0,GDB ChEMBL
119451,NC(=O)C12NC(=O)C([NH3+])C1CC([NH3+])C2O,0,GDB ChEMBL
215880,COCC1(O)CCC1C#N,1,GDB ChEMBL
1502,N#CC1NS(=O)(=O)OC(CCO)C1O,1,GDB ChEMBL
201990,CCOCC12C(=O)OC(COC1C(=O)[O-])C2[NH3+],0,GDB ChEMBL
381488,Cc1[nH]cnc1C(O)CC=O,1,GDB ChEMBL
337795,CCCCCC(CC#N)C(C)(C)C([NH3+])CCC,0,GDB ChEMBL
104457,CC1=Cc2ccsc2COC1=O,1,GDB ChEMBL
147213,C#Cc1c(C[NH3+])cc(C)cc1C1CCC1C,1,GDB ChEMBL
323991,CC#CC1CC(C[NH3+])C1,0,GDB ChEMBL
280683,CC(O)C1COCC2CCC1CC(=N)N2C=O,0,GDB ChEMBL
68476,C#Cc1cc(CC#N)nc(C=O)c1NC(C)C,1,GDB ChEMBL
157438,Cc1cscn1,1,GDB ChEMBL
102303,C#CC1C(CCC[NH3+])C=CC1(C)C[NH2+]C,0,GDB ChEMBL
117344,CNC(=O)C1C2C3CCC([NH2+]3)C(=O)N12,0,GDB ChEMBL
121536,CC(=O)C1=CN(C)CC1CCO,0,GDB ChEMBL
89635,CCC([NH3+])CCC(N)=[NH+]C,0,GDB ChEMBL
186736,CC1([NH3+])C2NC(C(N)=O)C1C2(O)C(=O)[O-],0,GDB ChEMBL
252685,C[NH2+]C1C(C(C)C)CC2CCCC21O,0,GDB ChEMBL
109755,N=C(N)N1C(=O)C(N)(C(=O)[O-])C1CO,0,GDB ChEMBL
398946,[NH3+]CC(=O)Nc1cn[nH]c1C[NH3+],0,GDB ChEMBL
286269,C#CC(=O)C1C(C)CCC(CCC)CC1[NH2+]C,0,GDB ChEMBL
120501,CCC1CC2(C)OCCOC1C([NH3+])C2O,0,GDB ChEMBL
47707,COCC(=[NH2+])NCCCCO,0,GDB ChEMBL
175738,CCC(C)(CC)c1c(C)c(F)cc(C)c1O,1,GDB ChEMBL
57295,NC(=O)CC1CC2(C1)[NH2+]CCC([NH3+])C2CO,0,GDB ChEMBL
16722,CC(C[NH3+])CC1CCC2OC2C1,0,GDB ChEMBL
389425,O=C([O-])CS(=O)(=O)N1C2CCC(O)C(O)C21,0,GDB ChEMBL
65908,O=Cc1ccc(F)c(CCO)n1,1,GDB ChEMBL
71661,CC(O)C(C#N)OCC(O)CNC(N)=[NH2+],0,GDB ChEMBL
277080,C#CC1(NC(N)=[NH2+])C2C(C)NC(=O)C(C)C21,0,GDB ChEMBL
79555,CC1(O)CC(=O)C2(C)C3C(=O)NC(=O)C3[NH2+]C12,0,GDB ChEMBL
126630,CC1([NH3+])C2OC(=NCC(=O)[O-])CC(O)C21,0,GDB ChEMBL
302595,C=C1CC2CC3C1OC(=O)C3C2C,0,GDB ChEMBL
121711,CCCCc1c(C)cc(Cl)c2c1C(C)C(C)C2,1,GDB ChEMBL
261467,CCC[NH2+]CC(OC)C(C)(CO)c1nn[n-]n1,0,GDB ChEMBL
307979,CC(C#N)(C=O)CNCCS(=O)(=O)[O-],0,GDB ChEMBL
130491,O=C([O-])CC1NC(=O)CS1(=O)=O,0,GDB ChEMBL
240465,CCC(=CC=CC(C)=O)CC(C)C,1,GDB ChEMBL
391765,[NH3+]C1C(CO)COC(C(=O)[O-])C1O,0,GDB ChEMBL
334711,CC1C(CO)C1C1CCC[NH2+]1,0,GDB ChEMBL
124196,CC1(C(O)CO)C2NCCC(=O)C21,0,GDB ChEMBL
258031,CN(C)c1nccc(C2(C)CCCCC2)n1,1,GDB ChEMBL
157378,CNC(=O)C(C)(O)CNC(N)=[NH2+],0,GDB ChEMBL
304827,CC1(CC(C#N)C[NH3+])OC2C(=O)NC1C2(C)C,0,GDB ChEMBL
34776,NC(=O)C12NC1C(O)CC2CS(N)(=O)=O,0,GDB ChEMBL
337421,N#CCNC(=O)C(O)C(=O)NCC=O,1,GDB ChEMBL
382151,c1c2noc1C[NH2+]CCC1CCCOC(=N2)C1,0,GDB ChEMBL
283294,[NH3+]CCC1(O)CCC2(CC2)C1,0,GDB ChEMBL
184886,Cc1cc(C(N)=[NH2+])sc(C[NH3+])cnc(O)n1,0,GDB ChEMBL
235242,N=C(N)NC(=O)C1C(O)C(O)C(O)C12CO2,0,GDB ChEMBL
61558,CC1CC2CCC(CC(C)(C)C)C(C1)C2C,0,GDB ChEMBL
35456,CN(C)C(=O)C1(N)C2NC(=[NH2+])NC21,0,GDB ChEMBL
152611,CC(C1CO1)N(CC[NH3+])C1CC1,0,GDB ChEMBL
184524,C[NH2+]CC1(C)C=CN(C=O)C1CCC(C)C,0,GDB ChEMBL
67594,CC1=CCC=CCC(C(C)(C)C)CCC1,0,GDB ChEMBL
343283,CC1CC2CC(O)C(O)C(O1)C1C(C)CC[NH+]21,0,GDB ChEMBL
310276,NC1=[NH+]CC(CCC(N)C[NH3+])N1,0,GDB ChEMBL
132568,CCC([NH3+])C1C2NC(=O)COC21,0,GDB ChEMBL
317536,CC(=O)c1c(CO)c(F)cc2c1NCC(=[NH2+])N2,0,GDB ChEMBL
293816,N=c1c[nH+]c(N)c(N)[nH+]c(NCCO)nc[n-]1,0,GDB ChEMBL
341152,CC([NH3+])CNC(=N)NC(=O)C#CC#N,0,GDB ChEMBL
255371,CNC(=O)NC(C=O)C(C)(O)C[NH+]=C(N)N,0,GDB ChEMBL
29683,CCC(C)C1C2CC(C[NH3+])C1C=C2C,0,GDB ChEMBL
267882,CC1CC2CC(=O)[N-]C(C#N)C2C1,0,GDB ChEMBL
354988,COCCC1CC1([NH3+])CO,1,GDB ChEMBL
288436,C#CCCCC1Cc2ccsc2CC(O)C1,0,GDB ChEMBL
326424,CCC(C)C(OC)C1CC2(C)CC2(C)C1,0,GDB ChEMBL
132314,COCC(=O)NC(=O)C[NH2+]CC(C=O)=N[O-],0,GDB ChEMBL
318525,C#CCC1C(O)CC(C)([NH2+]CC)C1N,0,GDB ChEMBL
103906,N#CC(CO)(CCC[NH3+])NC=O,0,GDB ChEMBL
268146,NS(=O)(=O)c1ncc(CC(=O)[O-])s1,1,GDB ChEMBL
351175,CCNc1c(C[NH3+])nc(C)c([O-])c(=O)c1OC,0,GDB ChEMBL
15589,CC(=N)NC(=O)CC(C)(CO)NS(C)(=O)=O,1,GDB ChEMBL
225848,CC1C(=[NH2+])N(C(N)=[NH2+])CC(O)C1O,0,GDB ChEMBL
43903,COc1c[nH]c(=O)c(C)c1F,1,GDB ChEMBL
320421,COC1CC(C)(C#N)CC(C#N)OC1C(=O)[O-],0,GDB ChEMBL
174863,CCC(CC1CCC(C)C1)OC,1,GDB ChEMBL
363184,CCS(=O)(=O)C(CC(N)=O)C(C)OC,1,GDB ChEMBL
334363,CC(=O)C[NH2+]CCOC(CO)C(N)=[NH2+],0,GDB ChEMBL
285115,CCC1NC(=O)C[NH+](C)C12CC(C)C2,0,GDB ChEMBL
271099,CCC(C)C1CCC([NH3+])C2CC12,0,GDB ChEMBL
369274,C#CC1(C(F)(F)F)C=C(C)CCCCC1,0,GDB ChEMBL
172318,COC(CO)C1[NH+]=CNCCC1=O,0,GDB ChEMBL
245506,Cc1scnc1CNC(N)=O,1,GDB ChEMBL
387190,CCC(C)C(=O)C(CO)C1CO1,0,GDB ChEMBL
331525,CCCOCCCCC(C)(C)OC1CC1,1,GDB ChEMBL
61788,CC1OC(=O)CS(=O)(=O)CC1O,1,GDB ChEMBL
204549,Cc1nc(C(C)O)n(C)c1C,1,GDB ChEMBL
146942,COC1(C[NH3+])C2C[NH2+]CCC21CS(N)(=O)=O,0,GDB ChEMBL
177058,Clc1cc(Cl)cc(C2C=CC=CC=C2)c1,1,GDB ChEMBL
216600,CCNC(N)=NC(C#N)CC#N,1,GDB ChEMBL
330095,O=Cc1n[nH]c(=O)cc1[O-],0,GDB ChEMBL
223525,C[NH+](C)C1C(C=O)C1(C)N1CCOC1=O,0,GDB ChEMBL
177183,Cc1cnc2[nH]cc3c2c1CCC(C)CN3C,0,GDB ChEMBL
391327,N#Cc1cc(=N)[nH]c(=O)nc1[O-],0,GDB ChEMBL
78603,COC1CC1C1C=CCNC1=O,0,GDB ChEMBL
177869,CCC(CC)(CC)CC(C)CC1CC1,1,GDB ChEMBL
93787,CCCC1CC1C1[NH2+]CC(C)(C)CC1=O,0,GDB ChEMBL
119647,CCC(C)(CC(C)(C)CCC#N)OC,1,GDB ChEMBL
130195,CC1C[NH2+]C2CC1C(C(F)(F)F)C2,0,GDB ChEMBL
120415,CCC1CC(=O)CNCC(O)C(=O)NC(=N)O1,1,GDB ChEMBL
222604,Cc1cccc(C2=[NH+]CCN2)c1,0,GDB ChEMBL
221966,C#CC1C[NH2+]CCC1C(C)CCO,0,GDB ChEMBL
200941,CCCCC1C2C=C(C)C1(C)C(C)CC2C,0,GDB ChEMBL
33517,CNC(=O)COC(C(=O)CC#N)S(N)(=O)=O,0,GDB ChEMBL
208608,CCCOc1cc(C)nc(C(NC)=[NH+]CC)c1,0,GDB ChEMBL
291504,CC(=NO)C1CCCC1O,1,GDB ChEMBL
99406,N=C1C=C(C2CCCO2)NCC(=O)N1,0,GDB ChEMBL
359152,COCCC(C=O)(CO)C1COC1,0,GDB ChEMBL
17654,C[NH+](C)CC1(CN2CC(C)(O)C2)CC1,0,GDB ChEMBL
147390,CN1C(C(N)=O)=NC(CC[NH3+])c2ncncc21,0,GDB ChEMBL
316268,CCN(C=Nc1cc([O-])cc(=O)o1)C(=O)C[NH3+],0,GDB ChEMBL
339980,N#CC#Cc1cccnc1F,1,GDB ChEMBL
338568,CNC(=O)C1=CN(CCC#N)CC1(C)[NH3+],0,GDB ChEMBL
290128,N=C1C(n2cccn2)CN1C(N)=[NH2+],0,GDB ChEMBL
54094,COC(=O)C1CC(S(N)(=O)=O)C(O)C1[NH3+],0,GDB ChEMBL
263796,N#CC(=N[O-])C(O)C(=O)N1CC(=O)NC1=O,0,GDB ChEMBL
291485,CC(COC(=O)C(N)=O)NC=O,1,GDB ChEMBL
161378,CC1CC(C)([NH3+])C2CN2C1=O,0,GDB ChEMBL
204802,CCCCC1=C(C)c2ccccc2C1,1,GDB ChEMBL
205797,CCC[NH+]1CCN(CC)C(C)(C)C2CC1C2,0,GDB ChEMBL
179474,C[NH2+]C1C(=O)NCC1(C)C,0,GDB ChEMBL
368194,NC12COCC1(N)C(=O)NC2=O,1,GDB ChEMBL
115582,Cc1cccc2c1C1CC(O)(C1)C2O,1,GDB ChEMBL
354588,C#CC1CC(C)(CCC)CC(CC)CC1C,0,GDB ChEMBL
28217,CC1C2CC(C(=O)OC(C)(C)C2)C1C#N,0,GDB ChEMBL
356506,CC(CCO)[NH2+]CC(=O)C=O,1,GDB ChEMBL
101063,COCC(=O)NC(=O)C1CN1,1,GDB ChEMBL
21865,CC1(O)COC1CC(N)C[NH3+],0,GDB ChEMBL
34814,COC(N)=NC1CNC(=O)C1(C)O,0,GDB ChEMBL
152020,N=C1NC(=O)CC2C=CCN12,1,GDB ChEMBL
186048,C#CC(CC[NH3+])CC(O)C(C)(C#C)CCCC,0,GDB ChEMBL
252577,CC1[NH+]=C(N)CC2[NH2+]CC1C2(C)C(=O)[O-],0,GDB ChEMBL
394254,COC1CC([NH3+])CNCC([NH3+])C(O)C1O,0,GDB ChEMBL
149291,CCCCC1(C)C2CCCC1(C)CC2C,0,GDB ChEMBL
355817,CC1C[NH+](C2CCC2)CC1=CC[NH3+],0,GDB ChEMBL
257448,NC(=[NH2+])N1C2CNC(=O)C(O)(C(=O)[O-])C21,0,GDB ChEMBL
101922,CC1C(O)C=C(C(N)=O)C2(C)CC=CC12,0,GDB ChEMBL
181015,CCC[NH2+]C(CCC(C)O)Cn1cnc(C)c1,0,GDB ChEMBL
391303,CC1C(CO)C2CCC1[NH+](C)CC2O,0,GDB ChEMBL
195209,CC1CC2C3CCCC(C2C1)C1CC31,0,GDB ChEMBL
348416,C#CC1CCN(c2ccc(CC)cc2F)C1C,1,GDB ChEMBL
394368,CC(=O)C(C)Cc1c(C)ccc(Br)c1C,1,GDB ChEMBL
5211,CNC1(CNCC(N)=O)C[NH2+]C(C(N)=O)C1,0,GDB ChEMBL
304322,NC(=[NH2+])NC1CC1(N)CNCC(N)=O,0,GDB ChEMBL
314974,Cc1c(C)c(F)c(C(C)(C)CC[NH3+])c(N)c1F,0,GDB ChEMBL
40395,CC1CC(C)c2ccc(Br)c(N)c2OCC[NH2+]1,0,GDB ChEMBL
365722,COC1C(C)OCC([NH3+])C(O)C1[NH3+],0,GDB ChEMBL
84526,Cn1cc(C2CC2)c2c[nH+]c(C(=O)[O-])cc21,1,GDB ChEMBL
41635,CCC(O)C1CN(CC[NH+]=CN)CCOCO1,0,GDB ChEMBL
47194,CC(C[NH3+])NC(=O)OC1CC([NH3+])C(O)C1O,0,GDB ChEMBL
122701,CC#CCCOC(C)(CCC)C(F)(F)F,1,GDB ChEMBL
271562,CC1(CC(N)=O)OCC(=O)O1,1,GDB ChEMBL
38931,OCCC1C2CC3CC2[NH2+]C31,0,GDB ChEMBL
252656,CC1CC(C[NH+](C)C2CC2)S(=O)(=O)N1,0,GDB ChEMBL
35443,C#CCC1=CCCCC(C)(C)[NH2+]CC1,0,GDB ChEMBL
341358,NC(=O)OCC(=O)N1CC(O)C(O)C1=O,1,GDB ChEMBL
2344,C[NH2+]C(CC(=O)[O-])C1(O)C(CO)N=C(N)C1O,0,GDB ChEMBL
381475,CCC(C)C1CC(C(C)C)C2CCC1(C)C2,0,GDB ChEMBL
354997,N#CC1(CN)C(=O)[N-]C(=O)C1N,0,GDB ChEMBL
382628,CCNC(=O)CC(O)CCC#CC(N)=[NH2+],0,GDB ChEMBL
147391,CCC1(C)CCCCN1C=O,1,GDB ChEMBL
110239,NC1C2C(O)C3CCNC(=O)C12[NH2+]3,0,GDB ChEMBL
182067,CN1CC(=O)CC(CCC#N)OC1=O,1,GDB ChEMBL
176448,CCC1COCC1(C)C[NH3+],0,GDB ChEMBL
195549,CCC1CCC2C(C(C)C)CCC(C)C2C1C,0,GDB ChEMBL
210226,CC1CNC(=O)C(O)C1(C)[NH3+],0,GDB ChEMBL
22550,C#CC(N)C1C[NH+](C)C(C)C1O,0,GDB ChEMBL
39732,CC1OC(CNC(N)=[NH2+])OC1=O,0,GDB ChEMBL
17466,Cc1ccc2c(c1)CCC1(CC=CC2)CC1,1,GDB ChEMBL
355003,NC(=O)C1CC(O)c2c([nH]c(=O)[nH]c2=O)N1,0,GDB ChEMBL
38146,O=C([O-])C1OC12CC[NH2+]C2,1,GDB ChEMBL
82122,CCOCC1OC2C(=O)NC(C[NH3+])C23OC13,0,GDB ChEMBL
305359,NC(=O)CN1CC[NH2+]C2C=C(COC2)C1=O,0,GDB ChEMBL
304492,COC(=O)N1CC(NC=O)C1=O,1,GDB ChEMBL
296292,N=C(Nc1cnc(Cl)nc1)C1(N)COC1,1,GDB ChEMBL
264973,C=C1CC=C(C[NH2+]C)C(C[NH3+])C1O,0,GDB ChEMBL
318564,CC12C(O)C(O)C(=O)N1C2C(=O)[O-],0,GDB ChEMBL
274151,CC(=O)C(CCO)C1OC(C(O)CO)OC1=O,0,GDB ChEMBL
179298,CC(C)CCNCC(C#N)S(C)(=O)=O,1,GDB ChEMBL
358932,CCc1cncn1-c1cnccc1Cl,1,GDB ChEMBL
48467,C[NH+]=CNC(CO)COC,0,GDB ChEMBL
354058,CCCC1CC[NH2+]C2CCCC3CC132,0,GDB ChEMBL
210164,C#CCC(C)[NH+]=C(N)CO,0,GDB ChEMBL
359093,CCC(C#N)CCOc1cc(N)ncnc1=N,0,GDB ChEMBL
336615,C#CC1(NC)CNC(=[NH+]C)N(CC)CCOC1,0,GDB ChEMBL
375453,C#CC(OCC)C1C(CO)C(=O)CN1CCO,0,GDB ChEMBL
225448,CCCC(CC#CCC[NH2+]C)C(C)(C)C,0,GDB ChEMBL
89117,CNC(=O)OC(C#CC1CO1)C(C[NH3+])OC,0,GDB ChEMBL
167295,CCc1cc2c(cc1F)C=CC(C)C2,1,GDB ChEMBL
197049,CCC1NC(=O)C(C)C(CC)C2(C)CC12,0,GDB ChEMBL
159867,CC(O)C=CC([NH3+])Cc1cnc[nH]1,0,GDB ChEMBL
132682,CC1(C2CCC(OCc3cncs3)C2)CC1,1,GDB ChEMBL
304488,CC#CCc1cc(C)c(Cl)c(N)c1C,1,GDB ChEMBL
177336,C#CC[NH2+]C1CC1CC(C)(C)C,0,GDB ChEMBL
111939,CC1=CC(NCC[NH3+])C2(CC2)OC1=O,0,GDB ChEMBL
374950,NC(=O)c1ncoc1CC(=O)[O-],1,GDB ChEMBL
292729,CCC1[NH2+]CC(C)c2coc(C)c2NC1=O,0,GDB ChEMBL
99569,CC(C)C1C=CC(C(=O)[O-])C1O,1,GDB ChEMBL
112808,N#CC1=CC2([NH2+]CCCC(=O)[O-])CC1C2,0,GDB ChEMBL
300662,CCC(C)C(C)C1C([NH3+])C1CO,0,GDB ChEMBL
394937,CC1CC(O)C(C(C)O)C1=O,1,GDB ChEMBL
230240,CC[NH+](CC1CO1)C1CC1C=O,0,GDB ChEMBL
233962,NC(=[NH2+])c1ccoc1CC1(O)COC1,0,GDB ChEMBL
9964,CCC1C[NH2+]CC2C(C)CC1C2C,0,GDB ChEMBL
181396,COc1c(C[NH3+])coc1C,1,GDB ChEMBL
161027,[NH3+]CC1CNC(OCCO)=N1,0,GDB ChEMBL
58464,CCCC1OCC(C(=O)[O-])=C1N,0,GDB ChEMBL
111600,COC1CC(C(N)=O)NC2C([NH3+])C12,0,GDB ChEMBL
334800,CC1COC(CC(N)=O)CNC(=O)C1,1,GDB ChEMBL
304583,CNS(=O)(=O)OCC(N)=[NH+]CCC(=O)[O-],0,GDB ChEMBL
369832,CC(C)C1C2CC1C1(C)CCCCCCC21,0,GDB ChEMBL
332482,CC1(CC#N)C2C[NH2+]CC1C([NH3+])C2,0,GDB ChEMBL
133199,CCOCC([NH3+])C(O)C[NH+](C)C,0,GDB ChEMBL
133043,CC[NH2+]CC1(O)C(=O)Nc2cccnc21,0,GDB ChEMBL
233898,CC(C)C(=O)OCc1nnn(C)n1,1,GDB ChEMBL
350263,CCCC(=O)C1(CC(C)C)CCCC1,1,GDB ChEMBL
28975,CCOCCC12CC1(C#N)CC(=O)O2,0,GDB ChEMBL
199084,C#Cc1c(C(C)=O)cnc(CCC=O)c1CO,0,GDB ChEMBL
48536,C=CC1(C=C)CC2CCC(CC2)C1,1,GDB ChEMBL
186575,c1[nH+]c2[nH]c1CC1CC1C[NH2+]CCC2,0,GDB ChEMBL
59217,N#Cc1cnc(N)c(Br)c1NCC[NH3+],0,GDB ChEMBL
300231,CCCN1CC(N2CC2)C(C)(C)CC1=O,1,GDB ChEMBL
165991,CCOC1CC(O)C=CC1OC,1,GDB ChEMBL
386515,C[NH2+]CC1NCC(C[NH3+])CC=CC=C1CO,0,GDB ChEMBL
201022,COCCC1C(C)CC2CC21C1CC1,0,GDB ChEMBL
298953,COCCCCC1COC1C(C)[NH+]=C(N)N,0,GDB ChEMBL
349998,CC1OC2CC(C[NH3+])C(O)C1O2,0,GDB ChEMBL
275672,CC1CC2(OS(N)(=O)=O)CC(C[NH2+]1)C(O)C2O,0,GDB ChEMBL
103889,CC(C)=CC1(C(C)(O)CC[NH3+])CO1,0,GDB ChEMBL
326461,C[NH2+]C(C1=CCC[NH2+]C1)C1CC1,0,GDB ChEMBL
280746,O=C1NCC2CCCC3OC1C2O3,0,GDB ChEMBL
124323,CC1CCCC(C(C)C(C)CC(F)(F)F)CC1,0,GDB ChEMBL
365798,Cn1ncc(C=O)c1CC(N)=O,1,GDB ChEMBL
147866,CCC12C(=O)OCC1C2(O)C(C)[NH+](C)C,0,GDB ChEMBL
352854,C#CCC#CCCC(CCC)C(C)(C)C,1,GDB ChEMBL
162540,NC(=O)NC1C2OC(CO)C(O2)C1O,1,GDB ChEMBL
332375,N#CC1(S(N)(=O)=O)C(=O)[N-]C(=O)C1CC[NH3+],0,GDB ChEMBL
35500,CCCC1(C)C(CC)C2CC1C(C)(CC)C2,0,GDB ChEMBL
161431,C[NH2+]CC1OC12C(O)CCC2O,0,GDB ChEMBL
148747,C#CC(OC=O)C(O)CC([NH3+])C(=O)[O-],1,GDB ChEMBL
254273,NC(=O)C(O)C(C=O)Nc1cnsn1,1,GDB ChEMBL
148920,NC1=[NH+]CC2COC(CO)C([NH3+])C2O1,0,GDB ChEMBL
378921,CC(C)CNc1scnc1C(O)CO,1,GDB ChEMBL
290298,O=C1CCC(O)(C(=O)[O-])C1C(O)CO,0,GDB ChEMBL
225390,C[NH2+]CCC1CCC(C)C1,0,GDB ChEMBL
225169,N#CC1C(=O)NCC1CC1OCOCC1[NH3+],0,GDB ChEMBL
233900,CS(=O)(=O)[N-]c1nsnc1OCC#N,0,GDB ChEMBL
248883,CNC(=NCCCCO)NC(=O)C=O,1,GDB ChEMBL
6871,CC12OC1C1OC(=O)NC1C(O)C2C(N)=O,0,GDB ChEMBL
352620,CC(C)NC[C-](C#N)C#N,0,GDB ChEMBL
352227,CC(C)C1CCc2cc3c(F)ccc(F)c3n21,0,GDB ChEMBL
366630,CCC(O)c1c(C)[nH]c(C)c1OC,1,GDB ChEMBL
94682,CCN1CC2[NH2+]CCC(C)(CC2O)C1=O,0,GDB ChEMBL
70939,CN1C2CC[NH2+]CC(CS(N)(=O)=O)CCC21,0,GDB ChEMBL
168416,CCn1cc(C)c2c1CCCC(=O)C2,1,GDB ChEMBL
398715,COC(C([NH3+])CS(N)(=O)=O)C1(O)CC1C[NH3+],0,GDB ChEMBL
11719,C[NH2+]C1CC(C)(C)CC(C)C2CN2C1C,0,GDB ChEMBL
61933,C#CC1CCC(c2ccc(C)n2CC(C)C)C1,0,GDB ChEMBL
352571,CC1=Cc2cc(O)ncc2NC1,1,GDB ChEMBL
171302,CCN(C)c1cc(COC)sc1CO,1,GDB ChEMBL
245500,CC1C(=NO)CNCC1[NH2+]CC(N)=O,0,GDB ChEMBL
248625,N#CC1C2C(=O)N(C=O)C1C(O)C2[NH3+],0,GDB ChEMBL
190237,CC(OC(CO)(C(=O)[O-])C(C)C)C1(O)CC1,0,GDB ChEMBL
149392,CCCC1C2CC(C=C2C)C1C(C)C,1,GDB ChEMBL
112357,Cc1cccc(C2(C)C=CC(=O)O2)n1,1,GDB ChEMBL
48468,CC(C)c1ccc(Cl)cc1C1CCC1,1,GDB ChEMBL
177293,C#CCc1c(CC)cc2ccc(F)cc2c1C,1,GDB ChEMBL
316273,C#CC1CC2(CC)CC[NH+]1C2,0,GDB ChEMBL
29466,CCC1OC(=N)NC(=N)OC1CO,0,GDB ChEMBL
338503,Nc1ncccc(O)c2c(o1)NC(=O)C2,0,GDB ChEMBL
119966,CC1COC(=O)C1NCC(O)S(N)(=O)=O,0,GDB ChEMBL
58961,CNc1cc(Cl)cnc1C[NH2+]C1CCCC1,0,GDB ChEMBL
234996,C#CCNC(=O)Nc1c([O-])c(C#N)n[n-]c1=O,0,GDB ChEMBL
244501,CCCC1CC2(O)C(C)C1[NH2+]C(C)C2O,0,GDB ChEMBL
65950,CC(C)C(CO)OCC[NH3+],1,GDB ChEMBL
398855,Cc1scc(S(N)(=O)=O)c1CO,1,GDB ChEMBL
355190,CC1CC2COC(CO)C1N1CC([NH3+])CC2C1,0,GDB ChEMBL
391478,COCCNC(=O)S(=O)(=O)NCC[NH3+],0,GDB ChEMBL
239992,CNC(=O)C([NH3+])C12CNC(=O)N1C2,0,GDB ChEMBL
193810,CS(=O)(=O)NC1C([NH3+])C(O)C2OC12CO,0,GDB ChEMBL
290504,CC(O)C(OS(N)(=O)=O)C1OC(=O)C2CC21,1,GDB ChEMBL
132457,CCC(CCS(N)(=O)=O)C1CC1O,0,GDB ChEMBL
53714,CC(C(=NCCO)NC=O)C(O)C(N)=O,0,GDB ChEMBL
285093,CC1C2COC3C[NH2+]C(C)(C3)C2CN1C=O,0,GDB ChEMBL
191506,CS(=O)(=O)NC(CO)C1COCOC1,1,GDB ChEMBL
157055,CC1CC(O)C(C[NH3+])CC2[NH2+]C12,0,GDB ChEMBL
173855,CC(C)CC1[NH2+]C(C)C2(C)OC12,0,GDB ChEMBL
334364,COCc1sc(CC(=O)[O-])cc1C,1,GDB ChEMBL
119430,CCC1CC2C=C1C(O)CCC1CC1[NH+]2C,0,GDB ChEMBL
287017,NC(=O)CCN=C(CCO)NC=[NH2+],0,GDB ChEMBL
328870,CC(C)C(C)(OC=O)C1CC(CC#N)C[NH+]1C,0,GDB ChEMBL
151273,CC1[NH2+]C1CCCN(C)C(=O)C(O)C=N[O-],0,GDB ChEMBL
273414,CCC12CCC([NH3+])C1c1ccnn1C2,0,GDB ChEMBL
104506,[NH2+]=C1C=CCCCN1,0,GDB ChEMBL
2131,CCC1(CCCOC)CC(C)(C#N)CC(=O)N1,0,GDB ChEMBL
26032,CC1=CCC(C)([NH3+])C(C)(CC#N)C1CCO,0,GDB ChEMBL
217097,C#CC(O)C1CCCC(CC(C)C)[NH+]=C(C)N1,0,GDB ChEMBL
286310,CC1CC2(C(N)=O)[NH2+]CCCCC12C,0,GDB ChEMBL
204836,Cc1ccc2c(c1)C1(C)C(C)C2C1C,1,GDB ChEMBL
204795,C[NH2+]CC[NH+]=C1C=C(C)CCN1,0,GDB ChEMBL
398819,CCC1CC(C)CC(C)C(C)(C)C[NH+]1C,0,GDB ChEMBL
181623,COC(C)C(O)C1(O)C(N)C1[NH3+],0,GDB ChEMBL
177166,CC1(C)C(C#N)CC2COC1C2,1,GDB ChEMBL
95214,CC(CO)[NH2+]C(C1CC1)C1CC1[NH3+],0,GDB ChEMBL
306375,CNC(=[NH2+])C1(OC)C(O)CC(C(=O)[O-])C1(C)O,0,GDB ChEMBL
271356,C=CCC1C2CCC1(CC)C(C)C2,1,GDB ChEMBL
208559,COC(C)C([NH3+])CC1(C)CO1,0,GDB ChEMBL
270054,C[NH2+]CC(O)C(N)C(C#N)C(C)NC(C)=O,0,GDB ChEMBL
4727,NCC([NH3+])C(C(=O)[O-])C(O)C[NH3+],0,GDB ChEMBL
10556,C#CCCc1cc(C(C)OC)c(Cl)c(C=O)n1,1,GDB ChEMBL
81465,CCC(C)C1CCC(CC(C)=O)C1C,1,GDB ChEMBL
168465,CCC1CCC(=O)C2c3ccsc3C[NH2+]C2C1,0,GDB ChEMBL
372083,CC1C2CC(O)C(O)C(=O)C2N(C)C1C(N)=O,0,GDB ChEMBL
99826,COC(C)C(=O)NCCC([NH3+])CCC(=O)[O-],1,GDB ChEMBL
312852,COC(C[NH3+])(C[NH3+])CO,0,GDB ChEMBL
195503,Cc1c(C2(CC(C)(C)[NH3+])CC2)ccoc1=O,0,GDB ChEMBL
5277,C1CC(CCC23CCC(CC2)C[NH2+]3)C1,0,GDB ChEMBL
278009,C[NH+]=C(N)NCC1CCC(=O)C=CN1,0,GDB ChEMBL
33233,CC1CC2[NH2+]CCCC2CC=CCC2CC12,0,GDB ChEMBL
338142,COC1OCC(C(=O)[O-])C1CN1CC1C#N,0,GDB ChEMBL
222164,[NH3+]CCCCC(O)CNC1=[NH+]CCN1,0,GDB ChEMBL
119892,C=CC1(CCC2CC2)CNC(=O)C1,1,GDB ChEMBL
252634,C1=CCCC2CCC(CC=CCC1)C2,0,GDB ChEMBL
217705,CC=CCC#CC1CCCCCO1,1,GDB ChEMBL
651,COC(c1cc(C#N)cc(C)n1)C1(C)CO1,1,GDB ChEMBL
285097,NC(N)=[NH+]C1(CCO)COC1,0,GDB ChEMBL
203424,NC1=[NH+]C(C2CCCCC2)CN1,0,GDB ChEMBL
94678,CC(O)C(O)COC(=O)CC1NC1C#N,0,GDB ChEMBL
114778,CC(OCC(=O)[O-])C1(CO)NC1C(=O)[O-],0,GDB ChEMBL
34806,CC(C)CC1C[NH2+]CC1(C)c1ccc(F)cc1,0,GDB ChEMBL
58988,N#CC1C2C(OC(N)=O)CNC(=[NH2+])N12,0,GDB ChEMBL
77052,CC1OCCC(OC(=O)N(C)CC(=O)[O-])C1[NH3+],0,GDB ChEMBL
58503,CNC(NCC(N)=O)=[NH+]CCNC=O,0,GDB ChEMBL
21570,COCCC#CC(C)NCC[NH3+],0,GDB ChEMBL
65569,CC1CCOCCC(C)C2OC12,0,GDB ChEMBL
20768,COc1cccnc1CCO,1,GDB ChEMBL
191387,CCCCCC1CC2C(C)CC2[NH+]1C,0,GDB ChEMBL
115998,CCc1ccc(C)c(Br)c1OC,1,GDB ChEMBL
354746,CCOC1C2CNC(=[NH2+])C(C2)C(O)C1C(=O)[O-],0,GDB ChEMBL
210396,C=CC(C)(C)C1CCCCC1(C)C,1,GDB ChEMBL
363202,C[NH+]1CC(O)C(O)C1C1OC1C[NH3+],0,GDB ChEMBL
11364,[NH3+]CCCc1cnc(C2CO2)cc1Cl,0,GDB ChEMBL
297015,CCCCC(C)(C)C(C)C1(C)CCC(C)CC1,0,GDB ChEMBL
109187,CC1[NH2+]C2(CCC([NH3+])CC#N)CC2C1O,0,GDB ChEMBL
305551,[NH3+]CCCNc1cn2c(n1)CC2,0,GDB ChEMBL
383026,CC1(C(=O)NC(C#N)C(N)=[NH2+])CC(O)C1,0,GDB ChEMBL
221107,CCC(C)C1CC(C)C([NH3+])C1OC,0,GDB ChEMBL
285584,NC(=O)C1C(O)C2C3NC(=[NH2+])N1C32,0,GDB ChEMBL
165938,NC(=O)CCOC(C[NH3+])C(N)CC[NH3+],0,GDB ChEMBL
178028,CC1=CCCCC(C)[NH2+]C(C)CC1C,0,GDB ChEMBL
95917,C#CC1CCCC(C)OC(C)CC1CC,0,GDB ChEMBL
307990,CC1C2NC(=[NH2+])OC12CNS(C)(=O)=O,0,GDB ChEMBL
64326,CC(C)COc1ncc(C(=N)N)s1,1,GDB ChEMBL
357642,CC=C(CCC#N)C(COC)OC,0,GDB ChEMBL
217725,CCC(C)CC(O)C1CC(=O)C1,1,GDB ChEMBL
112859,C[NH2+]C1C(N)C1(CC(C)C(=O)[O-])OC=O,0,GDB ChEMBL
308228,Cc1n[nH]c(CC2CC(O)C2)c1N(C)C,1,GDB ChEMBL
3919,C#CC1(C)[NH2+]C(CC)C(O)C1C(C)CC,0,GDB ChEMBL
354854,N#CCc1cc([O-])coc1=O,0,GDB ChEMBL
265546,COc1ncc(C[NH3+])c(N)n1,0,GDB ChEMBL
69640,CC(CN=C1OC(=O)C(C)C1O)[NH2+]C(C)(C)C,0,GDB ChEMBL
398199,NS(=O)(=O)CC1OCC(C(O)C[NH3+])O1,0,GDB ChEMBL
370387,O=C([O-])C1[NH+]=CNCCCC1O,0,GDB ChEMBL
108711,[NH3+]Cc1cn(CCO)c(C(=O)[O-])n1,1,GDB ChEMBL
260191,CCC(OC)c1cc(C)ccnccc(C)c1,0,GDB ChEMBL
147991,CCC1CCCC2CC(C1)C1CC21,0,GDB ChEMBL
391474,N=C1OC(CO)C(O)CC1C(N)=[NH2+],0,GDB ChEMBL
382571,CC1=CC([NH3+])C(O)C1,0,GDB ChEMBL
372082,C[NH2+]Cc1ccc2c(c1)C=CCC2,0,GDB ChEMBL
351127,Cn1ccc2c1CC(O)C(=O)N2,1,GDB ChEMBL
37596,CC1=CCC(C)C(C)(C(C)CCCO)C1,0,GDB ChEMBL
37304,CCN=CNC(=O)C(O)C[NH3+],1,GDB ChEMBL
16008,N#CC1(C(N)=O)OC(=O)C2[N-]C(=O)C1C2O,0,GDB ChEMBL
300673,CCC1C2CC[NH+](CC(=O)C1C(C)C(N)=[NH2+])C2,0,GDB ChEMBL
322961,CCCC([NH3+])CCC1(C)CNC(C)(CC)C[NH2+]1,0,GDB ChEMBL
382611,CC1(O)C(=O)NCC=C(C#N)C1O,0,GDB ChEMBL
229478,N#Cc1ccoc(N)ncc(N)c1,0,GDB ChEMBL
111577,C[NH2+]C(C)C1OC(=N)OC(C(N)=O)C(O)C1O,0,GDB ChEMBL
76969,COC1COC(C)(C(N)=O)CC(=O)O1,1,GDB ChEMBL
6029,C#CC1=CC2CC(C(C)C1)C(C)[NH+]2CCC,0,GDB ChEMBL
283986,C#CC1(Nc2cc(Br)ccc2O)CNCC1=O,0,GDB ChEMBL
243370,CC1CCN(C)C(OC(C)C)=[NH+]1,0,GDB ChEMBL
339962,CN1CC(n2nnc3c2CNC(=O)N3)C1,1,GDB ChEMBL
49118,CNC(=O)OC(CO)C(=O)C(=O)CO,1,GDB ChEMBL
60966,CCC(C)CC1(C(O)C(C)C)OCCC1C,0,GDB ChEMBL
290525,CCC(CC)CCc1c(C)cc(Cl)cc1NC,1,GDB ChEMBL
289425,CCC1=CCCCC1C(C)CC,1,GDB ChEMBL
238563,[NH3+]C1CCCC1C1CN1CCO,0,GDB ChEMBL
196706,Cn1ccc(C#N)nc1=O,1,GDB ChEMBL
23545,C=CCCC1=CCCC(CCC)C1,1,GDB ChEMBL
94673,CCC1(C)NC2C(=O)OCCCCC21C,0,GDB ChEMBL
26358,CCC(CC)(C(=O)NC)C1C[NH2+]1,0,GDB ChEMBL
222601,COCC1CC1(C)COC,1,GDB ChEMBL
70889,Brc1c2c(cc3[nH]cnc13)NCCC2,1,GDB ChEMBL
209660,CC(C)CC(CO)(CCC(N)=[NH2+])C1C[NH2+]1,0,GDB ChEMBL
259645,C#CC1(CCC(C)=O)CC(C#N)NC(=N)O1,0,GDB ChEMBL
294769,CCCCC1(C)CC(C)c2ccccc21,1,GDB ChEMBL
215877,COCC1(C2OCC=CC2=O)C=CCCC1,0,GDB ChEMBL
9679,CCOc1ncc(C[NH3+])c(Cl)n1,0,GDB ChEMBL
215384,COCC(NC(N)=[NH2+])C(O)C1CO1,0,GDB ChEMBL
66712,CCC1C(C)C(CNC=O)[NH+](C)C2CCC12,0,GDB ChEMBL
252743,CC1CC([NH3+])C2(CO2)CC(=O)N1,0,GDB ChEMBL
318147,C[NH2+]CC(C)N=c1cccc(C)c(C(C)=O)c1,0,GDB ChEMBL
332680,CC1OC(=O)C(C(N)=[NH2+])N(C)C1CO,0,GDB ChEMBL
379223,CC(C)CCOC1(CC(=O)[O-])C[NH2+]C1C,0,GDB ChEMBL
277935,CCC1CCCC(C)C2(C)CCC(C)C12,0,GDB ChEMBL
155761,C#CCOCCC1(OC)CCC1C(C)O,1,GDB ChEMBL
13893,CN1C(=O)CNCC(N)CN=C1N,0,GDB ChEMBL
314972,CCCCC1C2CC(CC)CC(C2)C2CC12,0,GDB ChEMBL
47378,CC([NH3+])C(O)CC1C(O)CNC1C#N,0,GDB ChEMBL
379183,CCCCCC([NH3+])C1CC1(C)COC,0,GDB ChEMBL
393957,CC(O)(Cc1ccoc1)C1CN1,1,GDB ChEMBL
194769,CC[NH2+]CC1(C)CNCC(O)CCCC1[NH2+]C,0,GDB ChEMBL
394876,CCC1(C(C#N)C(O)CC[NH3+])CN1C=O,0,GDB ChEMBL
287379,CC(C)C1C(C)C1Cc1ccc(I)cc1,1,GDB ChEMBL
172325,CC1CC2(CC1C)C1[NH+]2CCCC1(C)C,0,GDB ChEMBL
68449,CCC12C[NH2+]C(C1)C(C(C)=O)C2C(C)C,0,GDB ChEMBL
238036,CNCS(=O)(=O)NC(C)C(N)=O,1,GDB ChEMBL
70050,COC(C)(CCCC(F)(F)F)CC(C)(C)C,1,GDB ChEMBL
349523,N#CC1CCC(=CCO)C(C[NH3+])C1,0,GDB ChEMBL
274173,Cc1ccc(=O)ccc1C1CC1,1,GDB ChEMBL
126955,CC1(C)CNC(=O)OC1C(CO)NC=O,1,GDB ChEMBL
286324,CC1(C)CN(C=O)C(=NCCS(N)(=O)=O)O1,1,GDB ChEMBL
259443,CC=C(C)c1cc(F)c(F)cc1C,1,GDB ChEMBL
77545,CNC1(C#N)CC2CC1(C(N)=O)C(C[NH3+])C2C,0,GDB ChEMBL
243387,CC1=CCC(=O)N1CCO,1,GDB ChEMBL
321432,CCC1=CCCC2C(C)CC(C)CC12C,1,GDB ChEMBL
254267,CCC1(O)CC2C(=O)NC3C[NH2+]CCC32C1[NH3+],0,GDB ChEMBL
248890,CC1CC[NH2+]C(CO)C12C(C)N2C,0,GDB ChEMBL
161053,CCCC1CC2C(C)C1C(C)CC2(C)C,0,GDB ChEMBL
235217,CC(C)C1(O)C[NH2+]CCC(C#N)C1,0,GDB ChEMBL
141898,COCCC1(C(C)C)CCC(C)=C1CO,0,GDB ChEMBL
374214,C[NH2+]CC1OC2C(C(N)=O)C1NS2(=O)=O,0,GDB ChEMBL
37327,COC1OC2C(C(=O)[O-])CNC(=O)C1(O)C2O,0,GDB ChEMBL
334010,C#Cc1[nH]c(C)cc1C#CCCC,1,GDB ChEMBL
99077,CCOCc1nc(C)c(CC)s1,1,GDB ChEMBL
45673,C#CC1=CC(C)CC([NH3+])CCC1,0,GDB ChEMBL
322892,CCC1CC(C)(C)C(C)C(C)OC1CC,0,GDB ChEMBL
95473,CCCC1(O)CC(CC)(CC(C)=O)C1,1,GDB ChEMBL
140382,CC1C2CCC[NH2+]CC2C1(C#N)CO,0,GDB ChEMBL
387281,N#CCC(N=C(CO)NC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
234913,CCOCCC12COCCCC([NH2+]1)C(C)(C)C2,0,GDB ChEMBL
228325,O=C1CNC2CC(CCC2=O)O1,1,GDB ChEMBL
356870,CCC1OC(=O)NCC=CNC1=O,1,GDB ChEMBL
125550,C#CC1(C)CC(CCCCC)CCC1(C)CC,0,GDB ChEMBL
394340,CCC1C(C)C(C)C2CC1C(C)(CO)CCO2,0,GDB ChEMBL
201004,COC1(CC=O)C(CO)CC(C)(O)C1O,0,GDB ChEMBL
104382,C[NH2+]C(C)CS(=O)(=O)NCC(C)C,0,GDB ChEMBL
357600,[NH3+]CCCC(O)C1CCC1,0,GDB ChEMBL
188104,CCOC(CO)C1OCC(O)C1O,1,GDB ChEMBL
301425,CC1=CC(C)NC(=[NH2+])N(C)C1,0,GDB ChEMBL
273626,CCC(C)=CCc1ccccc1F,1,GDB ChEMBL
135810,CC(C#N)NC1CCOC2CC2C1O,0,GDB ChEMBL
18356,CC(=O)N(C)C(C[NH3+])C(N)S(N)(=O)=O,0,GDB ChEMBL
281643,CC1C([NH2+]CCO)CC(=NO)C2COCC21,0,GDB ChEMBL
243326,CCC1([NH3+])C=CC[NH+](CCO)CC=C1,0,GDB ChEMBL
274649,C[NH+](C)CC1NCCOC1=O,1,GDB ChEMBL
31747,C=CCC1C(O)CC2CCC1(C)C2,0,GDB ChEMBL
20107,COCC1CC(C)C2CCC1(CC(C)C)CC2,0,GDB ChEMBL
3838,Cc1cc(Cl)c2c(C)ccn2c1C,1,GDB ChEMBL
384867,OCCNC1=[NH+]CCC(O)C(O)CC1,0,GDB ChEMBL
289385,CCCC12CC1C(C[NH3+])C[NH+](C(C)C)C2,0,GDB ChEMBL
116583,CC#CC(C[NH3+])OCC(C[NH3+])NC,0,GDB ChEMBL
18641,CCC(C(C)O)C(N)C([NH3+])CCCC#N,0,GDB ChEMBL
203255,CCC([NH3+])CC1CC2CC2CO1,0,GDB ChEMBL
338116,NC(=O)C1[NH2+]C2COCCNC1(CO)C2,0,GDB ChEMBL
13768,CCN(CC[NH3+])C(=[NH2+])C1(O)CC1NC(N)=O,0,GDB ChEMBL
259397,Cc1cc(C)cc(C(C)C2CCC2C)c1,1,GDB ChEMBL
288155,C#CC(O)C1(C(=O)[O-])C(C)C1NS(C)(=O)=O,0,GDB ChEMBL
339989,C=CC1(C[NH3+])CC1c1cncnc1,0,GDB ChEMBL
207004,CC(O)C#CC1=CCN(C)C1=O,1,GDB ChEMBL
394276,C#CC1CCC(C(N)=O)OC1C(C)O,0,GDB ChEMBL
184670,C#CC1C(C)C1(O)C[NH+](CCC)CCO,0,GDB ChEMBL
339976,CC1C=CC2(C=CC1)CC[NH+](C)C2C,0,GDB ChEMBL
6528,CC1CC2CC1CC(CCC(F)(F)F)C[NH2+]2,0,GDB ChEMBL
387346,CC1CC(CCO)CCC1=O,1,GDB ChEMBL
274606,CCC([NH2+]C)C(C)OC1C=CCO1,0,GDB ChEMBL
387247,C=C1C2OCC1(C[NH2+]C)C2CCC,0,GDB ChEMBL
290522,C#CCC1(C)CCCCCc2c(Cl)cccc21,0,GDB ChEMBL
243927,CC(=N)Oc1cc(N)c(N)cc1C(=O)[O-],0,GDB ChEMBL
34396,O=C1CC2CC3C1CC(CO)C3[NH2+]2,0,GDB ChEMBL
9960,[NH3+]CC1CC(CS(=O)(=O)[O-])NC1=O,0,GDB ChEMBL
316300,CCCC(C)(C[NH3+])C(C)(C#N)NC=O,0,GDB ChEMBL
24731,CC(C[NH3+])C1OC1C(O)C(=O)[O-],0,GDB ChEMBL
207300,C[NH2+]C1COCC(=N)OC1C(C)C(N)=O,0,GDB ChEMBL
315152,CC1C2CC2C2CC=CC[NH+]1C2,0,GDB ChEMBL
23642,CC[NH2+]C1CN2CC1C2C(N)=O,0,GDB ChEMBL
159723,Cc1c(CCC(F)(F)F)ccc(C(C)C)c1F,1,GDB ChEMBL
288677,CC1CC2C3C[NH2+]CCCC1C2C3,0,GDB ChEMBL
194398,C=CC(C)(C=O)C(=O)N(C)C(=N)N,1,GDB ChEMBL
314968,CC1=CCNC2=NC(C1)c1cnc(F)cc12,0,GDB ChEMBL
92285,CC1CC2C([NH3+])CN=CN2C1=O,0,GDB ChEMBL
84488,CC1CCCC2CC3COC2C13,0,GDB ChEMBL
264027,CNC(=O)C(O)(CO)CCS(=O)(=O)NC,0,GDB ChEMBL
302596,NC(N)=[NH+]C1C(O)CNC(=O)C1C[NH3+],0,GDB ChEMBL
300724,N#CC1(NC(=O)C2CCC2=O)CC1,1,GDB ChEMBL
53865,CCOC(C)C(=O)C1(C)CC(=N)N(C(N)=O)C1,0,GDB ChEMBL
101913,COC1C([NH3+])CC(C)([NH3+])C1C(O)C[NH3+],0,GDB ChEMBL
34957,COC1=NCC=CCN1CCC[NH3+],0,GDB ChEMBL
11025,COC12CCCCC1[NH2+]CC2,0,GDB ChEMBL
49147,CC1[NH2+]CC=C2C(C(=O)[O-])OC21,0,GDB ChEMBL
321942,CS(=O)(=O)NCC(O)CNC=[NH2+],0,GDB ChEMBL
274344,N#CC1C=CCC(=O)C(=O)[N-]1,0,GDB ChEMBL
173125,COC1CC1CC1CCCC[NH2+]1,0,GDB ChEMBL
362173,Cc1cc(Br)c(C2C[NH2+]C2)c(C[NH3+])c1CO,0,GDB ChEMBL
311320,CC1=CC(CC2(C)CC2)CCCCC1,0,GDB ChEMBL
292530,N#CC1NC2CCC(NC(=O)C1O)C2C[NH3+],0,GDB ChEMBL
75855,NC1C(=O)N2C(=O)OC3(C[NH3+])C1C23,0,GDB ChEMBL
263231,CC1(CC2C3C[NH2+]CC32)CCCCC1,0,GDB ChEMBL
300704,Cc1nc(F)c(N)cc1C(C[NH3+])NC=O,0,GDB ChEMBL
289276,C#CCC(COC)C1(C)CCC(CCO)[NH+]1C,0,GDB ChEMBL
257556,CCOC1(C)C(C(C)C)CC(O)C2CC21,0,GDB ChEMBL
233415,COC1C2CN2C1(C)C(N)=O,0,GDB ChEMBL
310810,COCCC1C(O)C1(O)COS(N)(=O)=O,0,GDB ChEMBL
372125,CCC(=O)NC1=CC(=[NH2+])NC1,0,GDB ChEMBL
177864,CCCC(C)C(C)(CC)C1CC1CC,0,GDB ChEMBL
358881,Cc1c(CC[NH3+])cc([O-])c(=O)n1C,0,GDB ChEMBL
189851,NC(=O)NCC1[NH2+]CCC2CC21,0,GDB ChEMBL
366775,CC1CC2=CCC(CC2)C(C)(C)C[NH+]1C,0,GDB ChEMBL
11693,Cc1ccc([NH+]=CN)c(OCCO)c1Br,0,GDB ChEMBL
112570,C#CCC(C)C(O)CC1(C)C[NH2+]C(C)C1,0,GDB ChEMBL
384826,CC1C=CCCC1CCC1C2CC2C[NH+]1C,0,GDB ChEMBL
338302,CCCOC1C(C)CC2NS(=O)(=O)CC21O,0,GDB ChEMBL
24053,CCNC(C#N)C(N)C(O)CNS(C)(=O)=O,1,GDB ChEMBL
92329,CC(C)OC(C(=O)[O-])C1([NH3+])C2CCN(C2)C1C,0,GDB ChEMBL
120401,CC1C=CC2OC3CCCC2(C)C13,0,GDB ChEMBL
160317,[O-]N=C(c1cc(CO)c(F)cn1)c1nn[nH]n1,0,GDB ChEMBL
278835,CCC1CCC2C3CC3C(C)CC12C,0,GDB ChEMBL
146919,COc1cc(Br)cc(C(C)(C)[NH3+])c1N,0,GDB ChEMBL
393557,CC1CC(CC(F)(F)F)CC1O,1,GDB ChEMBL
214770,CC#CCCC[NH2+]CC(C)C,0,GDB ChEMBL
255348,C#Cc1c(C)cc(CC)c(CC)c1Br,1,GDB ChEMBL
317312,C#CC(C(OCC)c1ccc(F)cc1)[NH+](C)C,0,GDB ChEMBL
271492,C#Cc1c(C=O)cn(C)c1C1CCCC1CO,0,GDB ChEMBL
125650,CCC1CCOC(C)(C)CO1,1,GDB ChEMBL
294816,CCCC1CC(C)=CC(C)C1CC,1,GDB ChEMBL
83095,CC([NH3+])CCCCCC1COCC1C,0,GDB ChEMBL
389639,CCNc1[nH+]cc(C=O)c(N)c1Cl,0,GDB ChEMBL
348698,CC[NH+]1CC(O)C2(C)CCCOC(C)(C)CC12,0,GDB ChEMBL
169059,CC(C(C)(C)C)C(C)(C)C,1,GDB ChEMBL
300183,CC(C=O)CC(=[NH2+])Nc1cc(N)cnc1N,0,GDB ChEMBL
302637,O=C1NCC2OCC(CC1O)C2O,0,GDB ChEMBL
162483,O=C1CCC(C(=O)[O-])C2=CC(CC2O)N1,0,GDB ChEMBL
28223,CC1(C(=O)[O-])C2C3OC(CC3[NH3+])C21[NH3+],0,GDB ChEMBL
373997,CCC([NH2+]C)C1(C2([NH3+])CC2)CC1,0,GDB ChEMBL
205747,CC1Nc2ocnc2C(O)CC1C(N)=O,0,GDB ChEMBL
310302,C[NH2+]CC1CC2C3CC3C1N2C,0,GDB ChEMBL
271114,C[NH+]1CC2CC(C1)C(=O)C(OCCC#N)C2,0,GDB ChEMBL
99681,CC(=O)NC1C(O)C2OC1C2O,1,GDB ChEMBL
292202,CN1CC([NH3+])(C(C)(C)CCCO)C1CO,0,GDB ChEMBL
304275,CCCC1(O)C(=O)COC(=O)C2C(C)C21,0,GDB ChEMBL
352225,CCC(C)(C)CNc1cccc(Br)c1Br,1,GDB ChEMBL
106636,COC12CC[NH+](CC13CCCC3=O)C2C(C)C,0,GDB ChEMBL
157697,C#CC(C)C1(C2C=C(CCOC)CC2)CC1,0,GDB ChEMBL
79369,CCC[NH2+]CC1=CCC(CCC(C)C)C1[NH3+],0,GDB ChEMBL
191311,O=C([O-])C1(CO)CC=CC1,0,GDB ChEMBL
333609,CCC1(Cc2cccn2C)C[NH2+]1,0,GDB ChEMBL
186011,CNC(=O)OC1C(C)CS(=O)(=O)C2C(O)C12,0,GDB ChEMBL
157448,N#CC12CN(CCCC(=O)[N-]1)C2C(N)=O,0,GDB ChEMBL
2391,CCCC(C#N)N1CC([NH3+])C2NC2C1CO,0,GDB ChEMBL
84219,CCCCCC1=CCC(CC)C=C1,1,GDB ChEMBL
97082,[NH3+]CCOC(=O)CCC1CC1(O)C[NH3+],0,GDB ChEMBL
398785,CCCC1CC(C)C(C(C)[NH+](C)C)C1C,0,GDB ChEMBL
283261,CCCC(C)Nc1ccc(C(F)(F)F)o1,1,GDB ChEMBL
118870,CC1CC([NH3+])C(COC(C)C(C)O)C1,0,GDB ChEMBL
319311,C[NH+]1CCC2CCC3C=CCC3[NH2+]CC2C1,0,GDB ChEMBL
109216,CN1C2CC(O)C1C([NH3+])C2O,0,GDB ChEMBL
20125,C#CCOC1CC[NH2+]CCC(=C)C1,0,GDB ChEMBL
368227,CCCOC1CC1CC(N)=O,1,GDB ChEMBL
95539,CC(C)CC1C(C)C(C[NH3+])C2CC12,0,GDB ChEMBL
379722,CCNC(=O)C1C(CC(N)C[NH3+])NS1(=O)=O,0,GDB ChEMBL
284857,Cc1cc(O)nc(CCO)scc(CO)c1C,0,GDB ChEMBL
85694,C[NH2+]C(CC1(O)CC2(O)CC1C2)C(=O)[O-],0,GDB ChEMBL
38577,CC1(O)CC(=O)N(CCC#N)C1=N,1,GDB ChEMBL
119414,CCC1CCC(N2CC2C)CC1,1,GDB ChEMBL
238157,CCCC1CC(=[NH2+])NC1CC#N,0,GDB ChEMBL
337824,Cc1ncoc1C(C)(N)C(=N)NC(=O)C[NH3+],0,GDB ChEMBL
272509,C#CC1CN=C(NC(N)=[NH2+])NC1=O,0,GDB ChEMBL
179116,Cc1nc(C#N)c2cc(N)nc-2n1C,1,GDB ChEMBL
6101,CCC#CCCC(CC(C)C)C(C)C,1,GDB ChEMBL
309164,CC1=CC2(C)CC(O)C1(C)C(CO)C(C)O2,0,GDB ChEMBL
47366,CCC1(CC)CC=CC(=O)CC2C[NH+]1C2,0,GDB ChEMBL
228416,NC1=[NH+]C2C(O)C(O)C([NH3+])C(CC[NH3+])C2CN1,0,GDB ChEMBL
349630,CC1(C)CCCC2C3CC3CCC(O)C21,0,GDB ChEMBL
33194,CC1CC(C)C2(C)CCCC3CCCC3C2C1,0,GDB ChEMBL
87637,Cc1ccc(Cc2[nH]cc(C)c2C[NH3+])cc1,0,GDB ChEMBL
331689,NC(=[NH2+])NC1C2C(O)CC(=[NH2+])NC12C(=O)[O-],0,GDB ChEMBL
90339,CCC1C(C)CC(C)=CC2C(C)CCC21C,0,GDB ChEMBL
300941,COC1CCC2CC(=O)C3CCOCC1C23,0,GDB ChEMBL
119827,C=CCCC1CC(C)(CC)CC1C,1,GDB ChEMBL
121764,CCCC(C#CCOC)(CCO)OC,1,GDB ChEMBL
169458,COC1=Nc2ncc(C)nc2C(=O)[N-]C(=O)O1,0,GDB ChEMBL
354844,CCC[NH+]1CC2CC(C)(C)C1C([NH2+]CC)C2C,0,GDB ChEMBL
46923,NC(=O)c1c[nH]c(CCS(N)(=O)=O)n1,1,GDB ChEMBL
230409,CC(C)(C)[NH2+]Cc1n[nH]cc1C(N)=[NH2+],0,GDB ChEMBL
112065,C[NH2+]CC1[NH2+]CCC2C(OC)C(C)C12,0,GDB ChEMBL
398191,C#CC(C#N)C(C)C[NH3+],0,GDB ChEMBL
100730,CCC#CCCNc1ccc(O)c(F)c1,1,GDB ChEMBL
190111,CC1C(C(=O)[O-])C(=O)NC(=O)C2OC21,0,GDB ChEMBL
98844,C[NH2+]CC1C(O)C(N)C(N)(C#N)C(OC)C1O,0,GDB ChEMBL
250635,CC[NH+]1CCC(CCC=O)C1,0,GDB ChEMBL
144552,[NH3+]C1C2OC3C[NH2+]CCC(C2O)C31,0,GDB ChEMBL
61683,CS(=O)(=O)N1CC1C([NH3+])CCNC(N)=O,0,GDB ChEMBL
380285,C[NH2+]CCc1ncncn1,0,GDB ChEMBL
115562,O=CC1CC(C(=O)[O-])NS(=O)(=O)C2COC12,0,GDB ChEMBL
122698,C#CCC(C)C(C[NH+]1CCC1)NCCC[NH3+],0,GDB ChEMBL
283399,O=C1OCC(O)C2C(O)CCN12,1,GDB ChEMBL
235567,CC1C=CCC2CCCCC(C)(C)C12,0,GDB ChEMBL
304612,C=CC1OC(=O)C(O)CC(O)C1C,1,GDB ChEMBL
396731,NS(=O)(=O)C1NC2C(O)CC(=O)OCC21,0,GDB ChEMBL
390091,CC#CC(C)(CC1CC1)CC(C)(CC)OC,0,GDB ChEMBL
284375,O=C1OC2C(CO)NC1C2C(O)CO,0,GDB ChEMBL
75853,CCC(O)C(NC=O)C1OC1S(N)(=O)=O,0,GDB ChEMBL
44658,[NH3+]CC=CCC(OCCO)C(=O)[O-],0,GDB ChEMBL
362025,NC(=O)N1C=CC(O)CC1=O,1,GDB ChEMBL
6858,CCCC1([NH3+])CC1COC,0,GDB ChEMBL
31414,CN1C(=O)NC(=N)NC(CCC(=O)[O-])C1=O,1,GDB ChEMBL
317987,NC(=O)OC1C=C(CO)CC=CC1O,0,GDB ChEMBL
249528,CCCOC1C[NH+]2CC(CC2C)C1(C)CCC,0,GDB ChEMBL
239103,CC1C=CC2CC[NH+](CCN2)C1,0,GDB ChEMBL
143777,CC1CCCC(C)C1C1C(C)CCCC1C,0,GDB ChEMBL
263160,CCC(C)C1CC2CC(C)CC2(C)C1(C)C,0,GDB ChEMBL
121940,CCC1=CCCC(CC(=O)C(C)CO)C1,0,GDB ChEMBL
379121,CNC(=O)CNC1(C[NH3+])COCC1[NH3+],0,GDB ChEMBL
281056,C#CCC(C(=O)NC)C(O)C1([NH3+])CC1C,0,GDB ChEMBL
28314,CCCC1C(C(O)C#N)C[NH+]1C,0,GDB ChEMBL
161026,CC(C)CCCC1CC2(C)C=CC1C=C2,0,GDB ChEMBL
126832,CC(=O)n1cc(C)nc1N,1,GDB ChEMBL
221688,O=C([O-])C1NC1C(O)CCS(=O)(=O)[O-],0,GDB ChEMBL
275562,CC1CC2CCC(CC[NH+]2C(C)C=O)CO1,0,GDB ChEMBL
361007,CC1CS(=O)(=O)NC(CO)C(O)C1O,0,GDB ChEMBL
48732,CN=C(NC(N)=[NH2+])OCC(=O)[O-],0,GDB ChEMBL
341329,CCC(c1ccsc1)C1(C)CC[NH2+]1,0,GDB ChEMBL
320437,CC1C(O)C2=CCCCC(CCO)C1CC2,0,GDB ChEMBL
334337,NS(=O)(=O)OCC(CC[NH3+])COC=O,0,GDB ChEMBL
396780,COCC[NH2+]C(CO)Cc1ocnc1N,0,GDB ChEMBL
105078,CCC(C[NH3+])OCCS(=O)(=O)[O-],0,GDB ChEMBL
5864,CCC1([NH3+])C(O)C(OCC(N)=O)C1CO,0,GDB ChEMBL
70799,CC1CC2CC=CC(C)(C1)C(O)CCC2,0,GDB ChEMBL
13757,CC1CC2C3C[NH2+]C1C32CO,0,GDB ChEMBL
242633,CC(C)C[NH2+]C(C)CC([NH3+])CO,0,GDB ChEMBL
367647,COC(=O)C(N)C1C2CC1S(=O)(=O)N2,0,GDB ChEMBL
165963,O=C1CCC2N=COC2OCCN1,1,GDB ChEMBL
195240,CCC([NH3+])CCC(O)C[NH3+],0,GDB ChEMBL
181177,NC(=O)CNCc1nc2c(o1)CNC2=O,1,GDB ChEMBL
258684,CCNC(=[NH2+])COC1(C)CCC1,0,GDB ChEMBL
119830,C[NH2+]C(CO)C1(C)COC1CO,0,GDB ChEMBL
171346,CCC1(C2CN2)CC(C(C)C)CCO1,0,GDB ChEMBL
99644,CNc1ccc(=O)cc(N)[nH+]1,0,GDB ChEMBL
286891,N=C(NC(N)=O)C1CCCO1,1,GDB ChEMBL
380328,CCC1OC(C(CCO)[NH2+]C)C1N,0,GDB ChEMBL
156150,CN(C)C(=O)C(CO)S(=O)(=O)C(=N)N,0,GDB ChEMBL
234957,Nc1ncc(O)c(O)c1Cl,1,GDB ChEMBL
297245,CC[NH+](C)CCC(C)C1(CC)CC([NH3+])C1,0,GDB ChEMBL
181633,CCCCC(C)n1ccc2ccc(F)cc21,1,GDB ChEMBL
191310,CNC(=O)C1[NH2+]CC1[N-]c1nn[nH]n1,0,GDB ChEMBL
239146,CC1CCC2CC3C(C1C(C)[NH2+]2)C3(C)C,0,GDB ChEMBL
386646,CC1CCC=CC#CC(C)[NH2+]C(C)CC1,0,GDB ChEMBL
77770,[NH3+]C1CC(=O)NC2C3C1NS(=O)(=O)C23,0,GDB ChEMBL
23914,Cc1cccc(C2(C)COC(C=O)C2)c1,1,GDB ChEMBL
307595,COC1CC(C[NH3+])C2NC2C1C#N,0,GDB ChEMBL
204497,Cc1cn(C2CC([NH3+])C2)c(=O)cccco1,0,GDB ChEMBL
22869,NC1=NCCC(C=O)(CO)C(=O)N1,1,GDB ChEMBL
140279,COCC1C(O)C2(O)CNC(=O)C12,0,GDB ChEMBL
34400,CC1C2CC[NH+](C)C3CC(O)C2C13,0,GDB ChEMBL
219510,C#CCc1c(Cl)ccc2c1CC(CCCC)O2,1,GDB ChEMBL
283224,COC(=O)C1COC(=N)C1OC,1,GDB ChEMBL
380242,CNc1c(OC)cc(N)c2ccc(Br)cc12,1,GDB ChEMBL
132488,CCC1(C#N)CN(C2CCC2)C(C)=N1,1,GDB ChEMBL
305353,[NH3+]CC1CCC([NH3+])C2CCCCCC2OC1,0,GDB ChEMBL
118391,Cc1cn(CC2CCCC(=O)O2)nn1,1,GDB ChEMBL
225453,Cc1cc(N)[nH+]c(N(C)C)c1C,0,GDB ChEMBL
259617,CCOCC(C#N)(C#N)CC,1,GDB ChEMBL
280815,C#CCC1CC(C(C)C)CCCC1CC(C)C,0,GDB ChEMBL
124108,N#CC12NCCCOC1C2O,0,GDB ChEMBL
233456,CCC1[NH2+]C(COC)CCC1(CC)C(C)(C)C,0,GDB ChEMBL
37160,C[NH2+]CC(CO)(C(N)=O)C(=O)[O-],0,GDB ChEMBL
281635,FC(F)(F)C12CCCC1C2c1ccccc1,0,GDB ChEMBL
398192,Clc1cc2ccc1CCC1CCC(CC2)C1,1,GDB ChEMBL
127745,CCC1CC2(CC2CO)C(O)C1[NH2+]C,0,GDB ChEMBL
138376,CC(=O)CN1CCCC2=CCC[NH2+]CC1C2,0,GDB ChEMBL
263830,C[NH+](C)CCC1(C)CC(O)C=C1C(=O)[O-],0,GDB ChEMBL
337373,Nc1ccc(O)c(Br)c1C#CC=O,1,GDB ChEMBL
298241,CCC1C(O)CC2CC(C[NH2+]C)C(N)C21C[NH3+],0,GDB ChEMBL
10584,Cc1ccc(Cc2ccc(Br)cc2)cc1,1,GDB ChEMBL
203561,CC1CC2N3CCCCCC#CC23C1,0,GDB ChEMBL
281826,COC(=O)NC1C[NH+]=C(N)C=CC(=NO)C1,0,GDB ChEMBL
20093,Cc1cc2c(n1C)C1CC(O)CCC2C1C,0,GDB ChEMBL
97736,CC1C=CCC(C)[NH+]2CC1C2,0,GDB ChEMBL
301204,CC1[NH2+]CCC2(C)COC(C)C1CC2=O,0,GDB ChEMBL
26024,CC(CO)[NH2+]C1CC(CS(N)(=O)=O)OC1C,0,GDB ChEMBL
362317,CC1CCCC2[NH+](C1)CC(C)(O)C21CC1,0,GDB ChEMBL
356494,CN(C)C(=O)c1ccc(O)n1CC(C)(C)C,1,GDB ChEMBL
318797,NC(=[NH2+])NCC1(N)CC([NH3+])C1CCO,0,GDB ChEMBL
203591,CC(C)CC#CC#CC(C)(C)C,1,GDB ChEMBL
259692,CCCC(O)C1(C)CC1(O)C(CC)[NH2+]C,0,GDB ChEMBL
87651,N#CCN(Cc1cn(CC(=O)[O-])nn1)C(N)=O,1,GDB ChEMBL
289994,Cc1cc(NCC=O)sc1C(N)=O,1,GDB ChEMBL
61779,Cc1ccc(N)c(CCC2COC(C)C2=O)n1,0,GDB ChEMBL
61280,O=CNCc1cnn(CCO)c1C(=O)[O-],0,GDB ChEMBL
36157,CCC1C2CCC(C)CC1(C)C([NH2+]C(C)C)C2,0,GDB ChEMBL
98658,CCC(O)CC([NH3+])C(C)COC,0,GDB ChEMBL
316311,COC(=O)C1OCC2C[NH2+]C1C(O)CC(O)C2,0,GDB ChEMBL
163848,CC1C(=O)OC(C(N)=O)C(C[NH3+])N1C,0,GDB ChEMBL
227524,C[NH2+]C1C(O)C2COC1C(C(C)=O)N2,0,GDB ChEMBL
71408,CC(NC=O)C(C)(C)COC1C[NH2+]C1,0,GDB ChEMBL
318810,CC(CO)C1CC(O)C(C=O)([NH+](C)C)C1,0,GDB ChEMBL
120579,CC#Cc1cc(CCO)co1,1,GDB ChEMBL
251907,CC1=C(CO)C2(CCC(=O)NC1)CO2,0,GDB ChEMBL
81559,CCC1=CC2CC2C(N2C(=O)CCC2C)C1,0,GDB ChEMBL
260574,NC(=O)Cc1cc(F)c(F)cc1C1CC1,1,GDB ChEMBL
366600,CC(CC(=O)[O-])NCS(=O)(=O)[O-],0,GDB ChEMBL
386567,C=CC1=CNC(=O)C1N(C)C(N)=[NH2+],0,GDB ChEMBL
40914,CN=C(N)N1C(=O)OCC1C(=O)[O-],0,GDB ChEMBL
182921,CC1(CO)CC2CC[NH2+]C2C1,0,GDB ChEMBL
386180,Cc1cc(N)c(O)c2[nH]nc(C=O)c12,1,GDB ChEMBL
248275,COCC1(C#N)N=C(N)N(C)C1C(C)(C)CO,0,GDB ChEMBL
183450,CC1(C)CC2C(CO)C2C1,1,GDB ChEMBL
376700,Cc1ccc(I)c2c1CC(C)[NH2+]C2C,0,GDB ChEMBL
147270,N#CC1(NCc2c(O)cc(N)nc2N)CC1,1,GDB ChEMBL
237988,CC[NH2+]C(CCC#N)CN1CCC(C)(O)C1,0,GDB ChEMBL
132518,CCOC(CO)C(=O)C(C#N)=N[O-],0,GDB ChEMBL
290508,C#Cc1c(CC)ccc2cccc(I)c12,1,GDB ChEMBL
249499,COC(=O)CC(C(N)=[NH2+])c1ccnc(CO)c1,0,GDB ChEMBL
276342,CCc1c(NCC(C)[NH3+])nn[nH]c1=O,0,GDB ChEMBL
354800,CCC[NH2+]Cc1occccc(C)cc1CC,0,GDB ChEMBL
313716,CCCC(CC=CC(C)C)C1CC1,1,GDB ChEMBL
210269,CC1CC(C)C2Cc3c(F)ccc(F)c3CC12,0,GDB ChEMBL
161420,CCc1c(N)cc(Br)c(CC#N)c1OC,1,GDB ChEMBL
64337,CC([NH3+])C1C(O)C1C(N)=O,0,GDB ChEMBL
372565,CC1CCCCC2[NH+](C)C2(C)CCC1,0,GDB ChEMBL
175705,CCCCCc1cc(C)c(N(C)CC)c(Br)c1,1,GDB ChEMBL
62041,CC#CC(O)(CCCC)C(=O)CC(C)C,1,GDB ChEMBL
330047,CC1[NH2+]CC([NH3+])C1C1(C)CC1,0,GDB ChEMBL
165213,CCCC1C([NH3+])CC2CC1C(C)C(C)(C)C2,0,GDB ChEMBL
230687,CC1CC(=O)C2(O)C[NH+]1CC2CO,0,GDB ChEMBL
190085,CNC(=N)c1ncc(O)cccc(C)o1,0,GDB ChEMBL
196478,CC#CC1CCCCC=C(CC)C1,1,GDB ChEMBL
383043,CC1=CCCC(C)CC(C)C1C(C)(C)C,0,GDB ChEMBL
394908,CC1=CCC=CCC1CC(C)C,1,GDB ChEMBL
277961,[NH3+]C12CCNC(=O)NC1C2,0,GDB ChEMBL
248847,CC[NH2+]C1(C2CC(O)C2)COC1,0,GDB ChEMBL
29769,CC[NH+]1CC2C(C(C)OC)CC23CCCC13,0,GDB ChEMBL
148796,CC1=CC(N)=[NH+]CC([NH3+])CC1,0,GDB ChEMBL
89662,CN(CC(=O)[O-])C(=O)n1ncnn1,0,GDB ChEMBL
209851,N#CC1CC(=O)OCC(NCCO)C([NH3+])C1O,0,GDB ChEMBL
378568,CCC1C(=O)CCC2[NH2+]CC1NC2C,0,GDB ChEMBL
255460,CCCN(C(C)=[NH2+])c1cnccc1C(N)=[NH+]C,0,GDB ChEMBL
289250,N#CC1(N)COC(=O)C(O)CC1O,1,GDB ChEMBL
288146,CCC1CC2CCCC2C(C)[NH2+]C1C,0,GDB ChEMBL
309647,Cc1nnn(CCC(C)O)n1,1,GDB ChEMBL
137399,CC[NH2+]C1CCCC(c2cc[nH]n2)N(C)C1,0,GDB ChEMBL
71685,C#CCc1c(NC(C)C)ccc(Br)c1Br,1,GDB ChEMBL
50328,Cn1nnc(Cn2cccc2)c(C(=O)[O-])c1=N,0,GDB ChEMBL
252284,O=CC1NC(=O)C(O)C1CS(=O)(=O)[O-],0,GDB ChEMBL
43922,COC1(C)CC(C[NH+](C)C)N=C(N)C1=O,0,GDB ChEMBL
37282,C[NH2+]CC1CC(C([NH3+])CC2CC2)N1,0,GDB ChEMBL
333673,OC(c1cncnc1)C1CC1,1,GDB ChEMBL
352176,N#CC(O)C(CO)CCO,1,GDB ChEMBL
387048,[NH3+]CC1C2([NH3+])CC(O)C3NC(=O)OC312,0,GDB ChEMBL
333905,C#Cc1ccncc(C#C)ccnc1,0,GDB ChEMBL
352659,Cc1c(F)cc(F)cc1C#CC(C)(C)C#N,1,GDB ChEMBL
12839,CC(C)(CC(O)CCCO)NC1(C)C[NH2+]C1,0,GDB ChEMBL
118871,C#CCC(CO)C([NH3+])C1CCC1,0,GDB ChEMBL
279998,C=CC1(C(O)CO)C(OC)C1(C)[NH3+],0,GDB ChEMBL
276306,NC(=O)C12OC(N)=NC(C(=O)[O-])C1C2O,0,GDB ChEMBL
132250,CC1CC=CC(CC2CC2)C1C,1,GDB ChEMBL
87491,Cc1cc(CO)nc(=O)cc(C#N)cco1,0,GDB ChEMBL
111933,CCCC(CO)C(C)Oc1cc(C#N)sc1[O-],0,GDB ChEMBL
218781,CC(=O)NC(=O)NC(=O)C(C)(N)CO,1,GDB ChEMBL
121753,CS(=O)(=O)N1C(CO)C2CNC(C[NH3+])C1C2,0,GDB ChEMBL
204405,N#Cc1cccc2c(O)c[nH]c12,1,GDB ChEMBL
206974,N#CC1C2COC(=O)N2C1C(=O)[O-],0,GDB ChEMBL
308139,COCC1C2C=C(C)C(C)C1(C)CC2C,0,GDB ChEMBL
260526,NC(=[NH2+])Oc1cc(C(N)=O)cc(Br)c1Br,0,GDB ChEMBL
149345,Cc1ccc(Cl)c2c(Cl)cccc12,1,GDB ChEMBL
386558,CC1=CC(C)C2C(=O)C(C(F)(F)F)CC12,0,GDB ChEMBL
161924,COC1C2C[NH2+]C3CCCC3C21,0,GDB ChEMBL
78347,CCOC(C#N)COC(=O)C(O)C([NH3+])C(=O)[O-],1,GDB ChEMBL
134738,C#CC1OCCN2CCCC(=NO)C(=O)C12,0,GDB ChEMBL
321385,CC1C(O)C2CCC1(C[NH3+])C2,0,GDB ChEMBL
130429,CC1COC2CC(C(C)O)CCCC(C1)C2C,0,GDB ChEMBL
369327,CNC1COC(C(C)C)C[NH2+]C1CCC(C)=O,0,GDB ChEMBL
106011,CCC1(C)CCCNC(C)=[NH+]C1CCC(C)C,0,GDB ChEMBL
381501,N#Cc1c[n-]c(=O)c(=O)n1CCC(N)=O,0,GDB ChEMBL
3772,CCC(=O)N(C(=N)N)C(C#N)C(O)(C=O)C=O,1,GDB ChEMBL
204814,CC[NH2+]C1(C(C)CC)CN(CC(F)(F)F)C1,0,GDB ChEMBL
310268,CNC(=O)c1nc[nH]c1C1COC1=O,0,GDB ChEMBL
36041,CC1OCC(O)C(C)CC1=O,1,GDB ChEMBL
128262,CCCCC1CCC2CC2CC(C)C1,1,GDB ChEMBL
27005,C=CC1CCC(CC=C(C)C)C1C,1,GDB ChEMBL
222109,CC1=CCC2(CCCCC1C(F)(F)F)CC2,0,GDB ChEMBL
79550,CCC1CC=CC2C(CC1)CC1[NH2+]CCC12,0,GDB ChEMBL
339218,CC(C#N)CC(CCO)CCNCC(F)(F)F,0,GDB ChEMBL
288964,NC(=O)CC1=CCC(O)CCC#CCC1,0,GDB ChEMBL
221131,C#CC(O)(CC)CCC1C=C(C)CC1,0,GDB ChEMBL
390532,O=C1C=CC(CCO)CC1O,1,GDB ChEMBL
259492,CCCN1C2CC([NH3+])C(O)C21,0,GDB ChEMBL
3035,[NH3+]CCC(=O)N1C(=O)C2CC21,1,GDB ChEMBL
111552,[NH3+]C1C2CC(CC3OCOC31)C(=O)N2,0,GDB ChEMBL
44963,C#CC(OC)C(=C)C(=O)CCC=C,1,GDB ChEMBL
372493,CCCC(CC[NH2+]CC=O)NC(=[NH2+])C=NO,0,GDB ChEMBL
76713,CC1C(O)C(C(N)=O)(C(C[NH3+])CO)N1C,0,GDB ChEMBL
109707,CN1CC2NC(=O)CC3C[NH+]=CN3CC1C2O,0,GDB ChEMBL
160028,NC(=O)CC(O)CNc1noc(N)n1,1,GDB ChEMBL
216537,CCC([NH3+])C(C)C(OC=O)C([NH3+])C(N)=O,0,GDB ChEMBL
275624,C#Cc1cc2c(cc1C)CC=CCC2,1,GDB ChEMBL
372569,Nc1ncc(CO)c(C2CC2)n1,1,GDB ChEMBL
355338,CCOC1(CC)C[NH+]=C(NC)NC(C)(CO)C1,0,GDB ChEMBL
148508,CCC1CCCCC=CC12CC2,1,GDB ChEMBL
193277,COC(C(=O)[O-])C1OC(=N)C1N(C)C,0,GDB ChEMBL
347861,NC(=O)C(C=O)C1(CO)OC(=O)[N-]C1=O,0,GDB ChEMBL
292544,COC1CNC2(CCO1)C[NH2+]CCCN(C)C2,0,GDB ChEMBL
205740,CC1CC23CC(=O)NC(=O)C2OCC3[NH2+]C1C,0,GDB ChEMBL
208282,C=CC1C(CC(C)(C)C)C(=O)N1C,0,GDB ChEMBL
228339,C#Cc1cc(C)cc(CC)c1C,1,GDB ChEMBL
103502,C[NH2+]C1CC23C(=O)OC1C2C3OC,0,GDB ChEMBL
127736,C#CC1C=Cc2c(CCC)cccc2C[NH2+]1,0,GDB ChEMBL
67590,C[NH+]1C2CCCCC3C(=O)NCC1C32,0,GDB ChEMBL
6841,C=C1C[NH+]2CCC1(C)C(C[NH2+]C)C2,0,GDB ChEMBL
141892,CC1CC(N)=[NH+]C2(C#N)CCNC12,0,GDB ChEMBL
378618,CC(NCC(O)CO)=[NH+]C1COC1,0,GDB ChEMBL
161945,C#CCC(C)([NH3+])CCS(N)(=O)=O,1,GDB ChEMBL
128264,COCC12C(C)[NH2+]CC1C2C,0,GDB ChEMBL
81505,CCCc1c(C(C)=O)cc(Br)c2c[nH]c(C)c12,1,GDB ChEMBL
349494,COCC1C2[NH2+]CCC3(O)C=CCC3(C)C12,0,GDB ChEMBL
2342,CCCN1CC(O)C2C(OC)C2C1=O,0,GDB ChEMBL
177046,NC(=O)C(C[NH3+])CC1CC[NH2+]1,0,GDB ChEMBL
289417,C#CC#Cc1cc(Cl)c(C)cc1CC,1,GDB ChEMBL
86711,CCC#CC([NH3+])CC#CCCCC(C)C,0,GDB ChEMBL
136139,CC(C#N)CC1N=COC(=O)CN(C)CC1O,0,GDB ChEMBL
115018,CC1c2cc(Cl)ccc2C2C(C)C12C,1,GDB ChEMBL
118455,CCC(CC)CC(C)(C)N1CCc2sccc21,1,GDB ChEMBL
148393,C#CCCC(C)Cc1ccc(CC#C)cc1Br,1,GDB ChEMBL
115711,CCn1ccc2c(c1=[NH2+])CC(=O)NC2,0,GDB ChEMBL
362186,C#CCc1ccc(CCC)c(C(C)(C)C)c1C,1,GDB ChEMBL
348453,OCc1[nH]c(O)nc1C1CC[NH2+]CC1,0,GDB ChEMBL
64066,COc1[nH]c(=O)n(CCO)c1C(C)CC(N)=O,0,GDB ChEMBL
330493,C[NH2+]CC=CC(CO)CCOC=O,0,GDB ChEMBL
85715,CCCC12C(C)CC(CC1(C)C[NH2+]C)C2CC,0,GDB ChEMBL
51388,C#Cc1c(Br)cccc1C1CC=CC=CC1,1,GDB ChEMBL
277107,CC12CC3CNC(=O)C1C2O3,0,GDB ChEMBL
120722,CC1OC1(CC(O)C[NH3+])C(N)=O,1,GDB ChEMBL
132416,NC(=O)C1OC(=O)C(O)(CO)C([NH3+])C1O,0,GDB ChEMBL
374910,[NH3+]CC1(O)C2NC(=O)C([NH3+])CC(=O)OC21,0,GDB ChEMBL
338371,NC(=O)C1(N(C=O)C2C[NH2+]C2)CC=CCC1,0,GDB ChEMBL
360817,OCC1=Cc2ncc(CO)cc2CC1,0,GDB ChEMBL
225873,CC1(C)CC2CC1CCCc1cccc(F)c12,0,GDB ChEMBL
267917,COC1CCN(CC#N)CCC2(O)CCOC12,0,GDB ChEMBL
244522,CC(C)C([NH3+])C1(O)COC1,0,GDB ChEMBL
304090,COC(=O)CC1(O)CNS(=O)(=O)CC=C1C,0,GDB ChEMBL
183487,O=C(NC1(C(=O)[O-])C(O)C1O)C(O)CO,0,GDB ChEMBL
334691,CC1(OCC(N)=O)CS(=O)(=O)[N-]C1=O,0,GDB ChEMBL
205762,CNC(=[NH2+])CN(C)C1CC1,0,GDB ChEMBL
234367,CC1CC(O)C=CC23CC2NC(=O)C3C1,0,GDB ChEMBL
45675,CCNC(=O)C1=C(C)CNC(=O)CC1,1,GDB ChEMBL
216157,CC1(C)CCCCN2CC21,0,GDB ChEMBL
249573,CCCC1(CC)CCCCC(=O)N(C)CC1C,0,GDB ChEMBL
374382,CCC(C)C1C2CC3CC=C(C)CCC3C21,0,GDB ChEMBL
302272,C=C1C(=CC)CC(C)C1(C)CCC,1,GDB ChEMBL
53080,O=C1CC2(CC2)c2cc(F)cc(O)c21,1,GDB ChEMBL
251006,N=C1NCC(O)C23CC[NH2+]C4C(=O)N1C2C43,0,GDB ChEMBL
39942,C#Cc1cc(Cl)cc(C2CCC2)c1CC,1,GDB ChEMBL
22532,CCCc1cc(CCC)c(I)c(CCO)c1C,1,GDB ChEMBL
79624,CCc1cc(O)c(CC(C)C[NH+](C)C)c(I)c1,0,GDB ChEMBL
180825,C#CC(=O)N1CC=C(CCC(C)C[NH3+])CC1,0,GDB ChEMBL
312555,CCc1c(I)cccc1OC1COC1=N,1,GDB ChEMBL
274112,CCCC(=O)N(C)C1(C)CC([NH3+])C=CC1[NH3+],0,GDB ChEMBL
6813,CC12C(=O)OC(C1NC(N)=O)C2(O)C(=O)[O-],0,GDB ChEMBL
122697,CCC1C(C)CC2CCC1C2C(C)(C)C,0,GDB ChEMBL
306370,C[NH2+]CCOC1=NC(C(N)=O)C([NH2+]C)CC1,0,GDB ChEMBL
160054,CCc1nccc2c1C(=O)C1CC(C)(C)CC21,0,GDB ChEMBL
333867,NC(=O)c1nc(CCO)cc(NC=[NH2+])c(=O)n1,0,GDB ChEMBL
383084,C#CC1CC(C)CC(CCCC(C)C)C(C)C1,0,GDB ChEMBL
70055,C#Cc1c(Cl)nc(NC=O)c(CC)c1N,1,GDB ChEMBL
398156,CC1(C)Cc2c(ccc(C(O)CO)c2Br)O1,1,GDB ChEMBL
148351,COCC[NH2+]C(C)C(C)N(C)C,0,GDB ChEMBL
202850,C[NH2+]CC1C2OC(C)C(C#N)N(C)C12CO,0,GDB ChEMBL
34191,CC1C(=O)NC2CC3CC2C1O3,0,GDB ChEMBL
376049,CC1CC2CNC(C1=O)C(C)(C(C)C(N)=O)O2,0,GDB ChEMBL
323315,COC1C(O)C(O)CC12CC[NH2+]CCNC2,0,GDB ChEMBL
366068,CCOC1C(C)CC2CC(C)(O)CC1O2,0,GDB ChEMBL
129448,CCCCn1cc(C#N)c2c1C(=NO)C=C2,1,GDB ChEMBL
292507,C#CCC(N(CC#N)CC[NH2+]C)C(C)(O)C[NH3+],0,GDB ChEMBL
53811,NC12COC(=O)CC1[NH2+]C(CO)C2O,0,GDB ChEMBL
75403,CC1(CO)C(C(N)=O)CC12CC=CC2,0,GDB ChEMBL
346558,Cc1cc(Cl)cc2cc(CCC(C)(C)C)[nH]c12,1,GDB ChEMBL
195180,CC([NH3+])C[NH2+]C1CC(C)C1,0,GDB ChEMBL
344270,CNS(=O)(=O)Cc1n[nH]cc1CO,1,GDB ChEMBL
254884,CC1CN(C)C(=O)N2C(=O)NC(=N)CC(O)C12,0,GDB ChEMBL
278850,CC(C)CCOCC(C)C(C)(C)C1CCCC1,1,GDB ChEMBL
253578,CCC1([NH3+])CCC(CO)C1OC,0,GDB ChEMBL
73252,CNS(=O)(=O)OC(CC[NH3+])CC(C)[NH3+],0,GDB ChEMBL
7774,CCC1CCC=C(C)C(C)CC(C)CC1,0,GDB ChEMBL
205901,CCCCC12CCCCC(CC1[NH+](C)C)C2C,0,GDB ChEMBL
339235,CC([NH3+])C(O)C(=O)N(C)CCC(=O)[O-],1,GDB ChEMBL
4741,CC1CC(CCC(C)(C)C)C[NH2+]CC(=O)C1C,0,GDB ChEMBL
276088,C[NH2+]CC(N=CNC=O)C(=O)[O-],0,GDB ChEMBL
157444,C[NH2+]C1CC2OC1C(C(=O)[O-])NS2(=O)=O,0,GDB ChEMBL
246924,CC1OC2(CCCCC2C)CCC1(C)C,0,GDB ChEMBL
334166,CCC1CC2CC(C1)C(C(O)C(C)C)C2,1,GDB ChEMBL
286265,CCn1nnc(C(=O)[O-])c(I)c1=O,0,GDB ChEMBL
207949,CC1=CC(C#N)(C=O)C2C(C)CCCC12C,0,GDB ChEMBL
7835,CCC1Cc2c(Br)c(C(C)C)cc(C)c2C1C,1,GDB ChEMBL
309834,CC(C)=CC1(N)CC[NH+](C(C)C)C1,0,GDB ChEMBL
177119,CCCC1CC(C)C(C)C=CC1C,0,GDB ChEMBL
155089,Cc1cc(CCCO)nc(Br)c1C1CCC1,1,GDB ChEMBL
216509,CC1CCC2(C)CC3CCCC(C3C)C2C1C,0,GDB ChEMBL
315253,C[NH2+]Cc1c(Br)c(NCC(C)C)c(Br)oc1=O,0,GDB ChEMBL
179332,NS(=O)(=O)C1CC2NC(=O)C(C1)C(O)C2O,0,GDB ChEMBL
249611,CCC1CCCCCC(O)C1(C)C(C)([NH3+])CO,0,GDB ChEMBL
155834,[NH3+]Cc1c(O)ccc2cc([N+](=O)[O-])cn12,0,GDB ChEMBL
234256,NC(=O)NCC12CCC(CNS1(=O)=O)OC2,0,GDB ChEMBL
34952,CC(O)C(C)c1ncc(F)cn1,1,GDB ChEMBL
390139,CC([NH3+])C1C2CCC(C2)C12CC2,0,GDB ChEMBL
121132,COCC(O)(CC(N)=O)C1NC1C#N,0,GDB ChEMBL
387209,C#CC(O)CC1OCCC1(C)C(N)C#N,0,GDB ChEMBL
114772,C#CC1CCC2(C1)CC2CCOCC,0,GDB ChEMBL
268129,N#CC(CC(N)C(N)=[NH2+])NC(=O)C(N)=O,0,GDB ChEMBL
68673,CC1(C#N)CC=CC[NH+]2CCNC1C2,0,GDB ChEMBL
340482,COC(Cn1ncnc1C)C1CC1,1,GDB ChEMBL
215308,Cc1cc2ccc1N(C)C1CC1CCCC2,1,GDB ChEMBL
210406,CC(=O)NC1(C#N)COC1C1C=CC([NH3+])C1,0,GDB ChEMBL
267388,C[NH2+]CC(C)(C)OCC(=O)c1conc1[O-],0,GDB ChEMBL
68675,COCC1CCC2(C)CC=CC12,1,GDB ChEMBL
121480,C#CC(CO)COC(=NCCC)C(C)(C)C,0,GDB ChEMBL
74288,CC1C=CC2OCC([NH3+])CC12,0,GDB ChEMBL
38761,CCCCOC1(CO)CC2CC(C(C)C)C1C2,0,GDB ChEMBL
194776,COC1(C)C=CC(C2CO2)[NH2+]CCC1,0,GDB ChEMBL
320808,CC1CCCCC2(C1)CN(C(C)C(C)[NH3+])C2,0,GDB ChEMBL
175555,[NH3+]CC(=O)NC(C(O)CO)S(=O)(=O)[O-],0,GDB ChEMBL
305376,CCC(C)(C)C1CC(C)=CC1C,0,GDB ChEMBL
358907,COC1CCC2CC(C)C(C2)C(C)C1,0,GDB ChEMBL
40397,C#CC1C(CC)C(CC[NH+](C)CC)C2CC12,0,GDB ChEMBL
109186,N=C1OCCN1c1c(N)cc(N)nc1O,1,GDB ChEMBL
244554,CC[NH2+]CC(CC)n1cnnc1,0,GDB ChEMBL
348690,CC(=O)C1CC=C(C)C1NCC#N,0,GDB ChEMBL
198655,C#CC1CC[NH2+]CC1(CC)CC#N,0,GDB ChEMBL
117338,CC[NH2+]C1C(C=O)OC(S(N)(=O)=O)C1O,0,GDB ChEMBL
143818,CC(C)C1CC2CCC1CCCC2C,0,GDB ChEMBL
112613,NC1CNC1=[NH+]CCCOCC(=O)[O-],0,GDB ChEMBL
203559,CC1CCN1C1=NCCO1,1,GDB ChEMBL
61317,[NH3+]CCC1[NH2+]C(CO)CC2OCC12,0,GDB ChEMBL
104920,O=C1CNC2C(O)C(N1)C2CO,0,GDB ChEMBL
353239,CC1NC1CC[NH2+]CC(O)C[NH3+],0,GDB ChEMBL
279092,CCC1CC2(C)CCCOC1OCCC2[NH2+]C,0,GDB ChEMBL
77735,C[NH2+]C1C(O)C(O)C(=O)C2CC(C)(C)OC21C,0,GDB ChEMBL
88133,CCC1(Cn2cc(C)c(C)c2C)CCC1,1,GDB ChEMBL
246384,N#CC(CNC=[NH2+])CC(=O)N(C(=N)N)C(=N)N,0,GDB ChEMBL
59568,CC1CCCC=C1Cc1cccc(F)c1,1,GDB ChEMBL
97754,C#CC([NH3+])c1cc(Cl)c(CO)c(N)c1OC,0,GDB ChEMBL
221941,C[NH2+]CCC1(C)C=CC2=CCCC21,0,GDB ChEMBL
345501,OCC(CO)c1ccon1,1,GDB ChEMBL
157429,N#C[C-]1C(N)=[NH+]C2C(CO)OC(=O)C12N,0,GDB ChEMBL
248891,CCCC12C[NH+](C)C1CC1CC(C)C2C1,0,GDB ChEMBL
26846,CC[NH2+]C(C(=O)[O-])C1([NH3+])CC1,0,GDB ChEMBL
119247,NC(=O)c1nsc(OC2CCOCC2)n1,1,GDB ChEMBL
343998,CCC(C)C(=O)N1CS(=O)(=O)C1,1,GDB ChEMBL
118342,CC1C2CC([NH3+])C(O)C(O2)C1O,0,GDB ChEMBL
317295,CC1CC(C)C2=C1CC(CO)C2,0,GDB ChEMBL
340521,CNc1nn(C)c(C(C)OCCO)c1NC=O,0,GDB ChEMBL
127879,CC(CNC=O)COS(N)(=O)=O,1,GDB ChEMBL
233960,CC(O)C(C)CC1CCC1,1,GDB ChEMBL
45960,CC(C)CC([NH3+])c1cc(NC=[NH2+])cc(N)c1F,0,GDB ChEMBL
389463,CC1=C(C(=O)[O-])COC(=O)C(=O)NC1,0,GDB ChEMBL
354387,CCC1(C)C(C)CC(C)(C)C1C(C)O,0,GDB ChEMBL
300665,C#CCC(C)C(C)[NH+](C)CC#C,0,GDB ChEMBL
177121,CC1=CCCc2nc(C)cc(c2F)CC=C1,0,GDB ChEMBL
350274,CC1OC(=N)C(C)([NH2+]CC(C)(C)C)C1C(=O)[O-],0,GDB ChEMBL
362044,C[NH2+]CCCC[NH2+]CC(C)C1OC1C,0,GDB ChEMBL
165242,CCN(C(C)=O)C1(C(=O)[O-])CC=C(C[NH3+])C1,0,GDB ChEMBL
228409,C#CC1CCC2CC(=C)CC[NH+]1C2,0,GDB ChEMBL
390104,CC1CC1CC1[NH2+]C2COC(C2)C1O,0,GDB ChEMBL
33161,C[NH2+]CC1(OC(C)=O)C(C)CCC1CCCO,0,GDB ChEMBL
186056,COC1CCC(C)=CC(C=O)=CC(C)C1,1,GDB ChEMBL
372078,COC(=O)c1nsc(NC(=O)C[NH3+])n1,1,GDB ChEMBL
305309,CCC1CNC(C)(CC(C)CO)C(C)(C)[NH+]1C,0,GDB ChEMBL
259686,N=C(N)N1C(=O)C(N)C1C([NH3+])C(=O)[O-],0,GDB ChEMBL
53264,C[NH2+]C(CNC(N)=[NH2+])CC1(O)CC(=O)C1,0,GDB ChEMBL
137095,CC12CNC(=[NH2+])N1CC=CCC([NH3+])C2,0,GDB ChEMBL
97760,C#CC1OC2(C)CC1CC2CCO,0,GDB ChEMBL
120837,C[NH+]1CCC2CC(C)(NCCC#N)C21,0,GDB ChEMBL
385464,CN1CC2(CCC[NH3+])CC1C(=O)O2,0,GDB ChEMBL
277393,COCC([NH3+])Cc1cnc(OC)c(O)n1,0,GDB ChEMBL
200562,CC1OC(=O)N(C)CC2OC12CO,0,GDB ChEMBL
362587,CC(C)CC1C=CCC2CC(=O)C(C2)O1,0,GDB ChEMBL
104977,CC12CCc3c(F)cccc3C[NH+]1CC2,0,GDB ChEMBL
185330,CCC1C[NH+]2CC2CCCC1C,0,GDB ChEMBL
261450,C#CC1(OC)C2COC(CC(=[NH2+])N2)C1C(=O)[O-],0,GDB ChEMBL
352852,COC1COC(C)C1C1CC1C[NH3+],0,GDB ChEMBL
28383,C[NH2+]C(C)(CC(N)=O)C1NCCNC1=O,0,GDB ChEMBL
150559,CN(CC[NH3+])C(=O)CC1CC(N)C(N)=[NH+]1,0,GDB ChEMBL
263180,CCc1ccc2c(c1F)C1(C=CCC1)CC2,1,GDB ChEMBL
129410,COC1C(O)C2CC(=N)NC(=O)C(O2)C1CO,0,GDB ChEMBL
309213,Cc1cc(C=O)c(C)c(C#N)cnc[nH]1,0,GDB ChEMBL
126939,C#CCCC1(CC#N)C[NH2+]C1,0,GDB ChEMBL
355173,CC#Cc1ccc(F)c(CC(=O)OC)c1,1,GDB ChEMBL
296065,CC([NH3+])CC(=O)N(C)CC1=CC(C)C(O)C1,0,GDB ChEMBL
347978,NC(=[NH2+])NCCOC(=O)C(O)C=O,0,GDB ChEMBL
185325,C=CC1(O)CC1C1OC1C(=O)NC,0,GDB ChEMBL
203508,C#CC(C)[NH2+]CC1(C)C(C)CC(C)C1CC,0,GDB ChEMBL
12846,N#CCCCC(O)c1cc(CC=O)ncn1,0,GDB ChEMBL
18371,CC(C)C(C#N)C1(C2CCCCC2)CCC1,1,GDB ChEMBL
171349,O=CN1CCCC=C(CO)C1,1,GDB ChEMBL
285082,CC(C)CC(C[NH3+])C1CC2CC(C)C1[NH2+]2,0,GDB ChEMBL
195424,COCC1CCCC2CC=C(CC2)CC1=O,0,GDB ChEMBL
194526,CC1CCC2C(C(C)C)C[NH2+]C3CCCC32C1,0,GDB ChEMBL
101928,C1=C(CCC[NH2+]C2CC2)C[NH2+]C1,0,GDB ChEMBL
155806,CN1CC(O)CCC[NH2+]CC1=[NH+]C1CCC1,0,GDB ChEMBL
83553,CCC#CC(C)C(C)(CC)CC([NH3+])CCC,0,GDB ChEMBL
104650,CC(=O)N(C)C1C(O)C([NH3+])C2C([NH3+])C21O,0,GDB ChEMBL
125696,CCC(CC)(C1CCC(C[NH3+])CC1)C(C)(C)C,0,GDB ChEMBL
385662,O=C([O-])C1NC(=O)C2C(O)C[NH2+]C12,0,GDB ChEMBL
62555,CCC1=CC=CCOC(C(C)O)C1,0,GDB ChEMBL
243362,CC1CCC2(C(C)C(N)=O)CC(C2)[NH2+]1,0,GDB ChEMBL
223504,CN(C)c1ccc(I)c(O)c1NCC#N,1,GDB ChEMBL
11405,CNC(=O)c1c(OC(=O)CC(C)O)nnn1C,1,GDB ChEMBL
260535,C#Cc1cc(I)ccc1OC(N)=NC(C)C,1,GDB ChEMBL
309146,CCCC1CCC2(CC)C(CC(C)C)[NH+]12,0,GDB ChEMBL
383760,O=C([O-])C(CO)[NH+]1CC=CC1,1,GDB ChEMBL
204495,CCCC1CC2[NH2+]CCC1(C)C2C1CCOC1,0,GDB ChEMBL
24062,Cn1nnc(C(=O)[O-])c1C(O)C[NH3+],0,GDB ChEMBL
248209,CC1(C(=O)CCC(F)(F)F)CCCC1,1,GDB ChEMBL
240439,COC(C#N)C(O)C([NH3+])C(C)C(=O)[O-],1,GDB ChEMBL
273849,CC1CC2C(C(C)C)=CCOCC2(C)C1,0,GDB ChEMBL
124502,NC(=O)C(=O)N(C=O)C1CCCNC(=O)OC1,0,GDB ChEMBL
296329,CCCCC1C(C)C2CCC(C2=O)C1CC,0,GDB ChEMBL
69627,CCC(CC)(CNS(C)(=O)=O)C(C)(C)C=O,0,GDB ChEMBL
239973,COC1CC=C(C=O)C1(C)C,1,GDB ChEMBL
242631,CC1CC2[NH2+]CC(C1)n1nccc12,0,GDB ChEMBL
349960,C#CC1(CC2CCC[NH2+]2)CC2CC1C(C)(C)C2,0,GDB ChEMBL
75056,CCC1CCC=C(C(C)C)CC1CC,0,GDB ChEMBL
372113,CCC1CC2(CC1C)c1ccccc1CC2C,0,GDB ChEMBL
247212,CCc1c(Cl)cc(C)c(C)c1C1(C)CC1,1,GDB ChEMBL
360967,CC1CC1C12CCC(C(=O)[O-])[NH+]1C2C,0,GDB ChEMBL
375120,COCC12CC=CC(C1)C(C)(C)C2C[NH3+],0,GDB ChEMBL
325732,COCC(CC#N)S(=O)(=O)CNCC(C)C,0,GDB ChEMBL
84569,C=C1CC2OC(C)C(C1CO)C2C,0,GDB ChEMBL
38866,CCC1(CCCCC(C)C)CC[NH2+]CC(C)C1,0,GDB ChEMBL
292552,C[NH+](CC1CCCC1C(C)(C)C)CC(C)(C)C,0,GDB ChEMBL
118119,CC1CC(CNC=O)OCCC2CN12,0,GDB ChEMBL
239108,CC[NH2+]CC(C#N)CN=C(N)C(N)=O,0,GDB ChEMBL
260166,C#CC1=C(C(=O)[O-])CC(COCCC)CC1,0,GDB ChEMBL
82128,CCCC1(C)CC(CO)CC(NC2CC2)=[NH+]1,0,GDB ChEMBL
109560,CC(C)(OCC#N)C1CCC1,1,GDB ChEMBL
68674,CC(O)C1OCC2(O)CC(C(N)=O)CC12,0,GDB ChEMBL
201063,N#CC1COC(=O)[CH-]C1=O,0,GDB ChEMBL
29660,C#CC(N)(C#N)C1CC(CO)OC(C[NH3+])C1C,0,GDB ChEMBL
151066,CC1CC[NH+](C)C(C)(C)C(O)C[NH2+]1,0,GDB ChEMBL
256126,CCc1cc(CC(F)(F)F)c(Cl)c(C)c1CC,1,GDB ChEMBL
201690,CNC(=O)c1nscc1NC,1,GDB ChEMBL
248852,CCCC(CC)CC1(C)CC2CC[NH+]1CC2C,0,GDB ChEMBL
300727,CC(C)C(CC[NH3+])[NH2+]C1(CO)C(C)C1C,0,GDB ChEMBL
280475,Cc1cc(C=O)cn1CC(C)(C)C,1,GDB ChEMBL
115059,C#CC(C)CCc1ccc(C)oc1=O,1,GDB ChEMBL
358125,CC1=CC=CCCN(C)C(=O)N1,1,GDB ChEMBL
120851,CCC(C)C1C=CCOC(C)C(C)C1,0,GDB ChEMBL
255352,C#CC(OC=O)C(CC)C[NH3+],1,GDB ChEMBL
29750,CC([NH3+])CN1C(=O)C(N(C)C)C2([NH3+])CC12,0,GDB ChEMBL
277590,CCC(=O)C(CO)C(C)C#N,1,GDB ChEMBL
34961,CCc1cc(C)c2c(c1Cl)C=CCC2C,1,GDB ChEMBL
251878,CC(CCO)C[NH2+]CCN,0,GDB ChEMBL
153742,CC(C)CC1OC(=O)C=C(N)C1(C)[NH3+],0,GDB ChEMBL
37153,COC(=O)CCC1CN2CC2CC(C)O1,0,GDB ChEMBL
131869,CC(C)CCC(C)CC(C)(C)C1CC1,1,GDB ChEMBL
103503,CNC(=[NH2+])Nc1ccnc(N)n1,0,GDB ChEMBL
93096,CCCCCCC1C(C)CCC(CO)[NH+]1CC,0,GDB ChEMBL
240798,CC1(C#N)OC(C([NH3+])CO)C(O)C1NC(N)=[NH2+],0,GDB ChEMBL
104456,CC1(C)C[NH+]2CCC([NH3+])CC(O)(C2)C1CC[NH3+],0,GDB ChEMBL
25140,CC1C2CCCC3CC4CC[NH+](CC4)CC312,0,GDB ChEMBL
383269,N#CCOc1cc(=O)occ1NC(N)=O,1,GDB ChEMBL
188103,CC1CC(C)(C)CC2C(O)C(C)C1[NH+]2C,0,GDB ChEMBL
126848,Brc1cccc2c1C1CN1C2,1,GDB ChEMBL
330784,C[NH2+]CCc1cc(C#N)c(=O)c([O-])nc1C#N,0,GDB ChEMBL
334121,C=CC1CC2C(C)C2C1[NH+](C)CC,0,GDB ChEMBL
370293,CC[NH+]1CCCCCCC1(CNC)C(C)(C)C,0,GDB ChEMBL
69582,C[NH+]=C(NCC#N)C1C(C)(C)C1(C)C,0,GDB ChEMBL
240395,NC(=O)C1CC2[NH2+]C1C(S(N)(=O)=O)CC2O,0,GDB ChEMBL
34861,CC(OC(C#N)C(=O)[O-])C1CNC(=O)N1,1,GDB ChEMBL
254225,CC1C(C(=O)[O-])CC(=O)C2CN21,1,GDB ChEMBL
203603,COc1[nH]c(CC(N)=O)c(S(N)(=O)=O)c1C,1,GDB ChEMBL
215393,CC1CC(O)c2nc(CC[NH3+])cc(O)c2C1[NH3+],0,GDB ChEMBL
107809,CCOC(C)C1C2CC3C(C2C)C31,0,GDB ChEMBL
271007,CC1(CO)C2CCCOC1C1CC12,0,GDB ChEMBL
107660,CC(O)c1nocc1CC1C=CCCC1,0,GDB ChEMBL
191695,CCC[NH2+]C1CCC1CC1C(C)CCC1C,0,GDB ChEMBL
397980,CC(C(=O)[O-])C(C[NH3+])c1cccc(Br)c1,1,GDB ChEMBL
147380,CCC1C2C=CCC2C(CC)C2C=CCC21,0,GDB ChEMBL
149966,CCC1C=CC2C(c3cccc(Br)c3)C12,0,GDB ChEMBL
27811,CCC(C(C)C)C1CCC2(C)CCCCC1C2,0,GDB ChEMBL
308275,CCCCC1(C)C2C=C(C)C1C=CC2,0,GDB ChEMBL
112592,Ic1ccnc2c1CC=CCCCCC2,1,GDB ChEMBL
328887,CC1OCCCC23C=CC([NH2+]C2)C13,0,GDB ChEMBL
398993,C1=CC(CC2CC2)CC2CC1CC[NH2+]2,0,GDB ChEMBL
16786,CCC1(C(=O)CO)C2CC(C)C1C[NH2+]2,0,GDB ChEMBL
87016,NC(=O)CNC(C(N)=O)C(N)C(=O)[O-],0,GDB ChEMBL
56625,CNC(=O)C(N)C12OCC(O1)C(=O)NC2CO,0,GDB ChEMBL
294798,[NH3+]CCC(O)C1(CCO)CN1C=O,0,GDB ChEMBL
321828,COCCC1N=COC(C)C1C,0,GDB ChEMBL
95494,C#CCC1=CC=Cc2cccc(c2)C#CC1,0,GDB ChEMBL
31802,CC1CC2CC(O1)C(C)(O)C2,1,GDB ChEMBL
284797,CCOc1nc(OC2CC2C)nc(N)c1F,1,GDB ChEMBL
343996,[NH3+]C1CC=CC(O)C1CNC=O,0,GDB ChEMBL
286157,CN(C)C(=O)c1c(N)c(C[NH+](C)C)cn1C,1,GDB ChEMBL
30327,CCCNC(=N)N(C)C(=O)C(=O)NC=N,1,GDB ChEMBL
190827,CCC(C(=O)[O-])C1C(C(=O)[O-])=CC(=[NH2+])N1C,0,GDB ChEMBL
379168,N#CC(=O)N(C(N)=O)C(CO)C(=O)[O-],0,GDB ChEMBL
345492,CCC#CCCCC(C)C=CCC,1,GDB ChEMBL
83072,CCC1(C)CCC(C(C)C)C2C1C2(C)C,0,GDB ChEMBL
123005,COCC1CC(OS(N)(=O)=O)C[NH2+]1,0,GDB ChEMBL
274220,CCC1C2[NH2+]C(C)C(CN(C)C2=O)C2OC12,0,GDB ChEMBL
177208,C=C(C)C1C2CCCCC1[NH+]2CC,0,GDB ChEMBL
157680,COCC12CC3CC1[NH2+]C3C2C,0,GDB ChEMBL
116094,C[NH2+]CCOC(C(C)=O)C1(C)CCCCCC1,0,GDB ChEMBL
360838,CCC1(C(=O)[O-])CN1C(N)=O,0,GDB ChEMBL
29476,CC1OC(=N)C(=NO)C(=O)NC1C(N)=O,1,GDB ChEMBL
221399,C#CC(C)CC1CC[NH2+]CCC(O)CO1,0,GDB ChEMBL
77377,Cc1nn2cn[nH]c(=N)c2c1CC(=O)[O-],0,GDB ChEMBL
288480,CC1=CC(O)C2C(=O)NC(C)(C1)C1CC21,0,GDB ChEMBL
119916,O=C1C2CCC1C1CCC2[NH2+]1,0,GDB ChEMBL
1500,CCC(C)(CCC1(C)CN1C(C)C)OC,0,GDB ChEMBL
103528,N#CC1C(=NO)C(O)(CO)CN1CC(=O)[O-],0,GDB ChEMBL
140267,COC1(CC(C)=O)C=CN(C(N)=O)C1,1,GDB ChEMBL
337962,COC(=NC(C)(C)C)Nc1c(C#N)nnn1C,0,GDB ChEMBL
345764,CCC1(c2ncccc2Cl)COC1(C)C,0,GDB ChEMBL
26609,CC12C(=O)N3CCC(O)C3C1C2O,0,GDB ChEMBL
249474,COCC(=O)C1(O)C2CCCC1NC(C#N)C2,0,GDB ChEMBL
352627,CCc1nccc(C(C)[NH+]=CN)c1C(N)=O,0,GDB ChEMBL
70065,COc1nc(C[NH3+])n(CC#N)c1CO,0,GDB ChEMBL
200608,CCC12CCC[NH2+]C1CCC(C)(C)C2,0,GDB ChEMBL
169389,CNC(C(=O)C(N)=O)C(O)C#N,0,GDB ChEMBL
358575,CN(CC1(C)CNC(=[NH2+])OCC1[NH3+])C(N)=O,0,GDB ChEMBL
320452,[NH2+]=C1NC2CC(CO1)C(O)C([NH3+])C2O,0,GDB ChEMBL
220202,CC#CC1NC(=O)C(O)C1[NH3+],0,GDB ChEMBL
336602,C[NH+](C)C1CCC2C[NH2+]CC3C(C1)C23,0,GDB ChEMBL
76042,CC1OC2CC(C)[NH+](C2)CC1N,0,GDB ChEMBL
342376,CCC(CC[NH3+])NS(=O)(=O)C(O)C(=O)[O-],0,GDB ChEMBL
390109,C#Cc1c(C[NH3+])cc2n1CCC(C)C2,0,GDB ChEMBL
292955,CC1=CCC([NH3+])c2nc(C)ccc2C1,0,GDB ChEMBL
317708,CCCc1c(C)c(C)c(F)c(OCC=O)c1F,1,GDB ChEMBL
251037,Nc1c(F)ccc(F)c1C(O)C(F)(F)F,1,GDB ChEMBL
172754,N#CC(N)C1(N)C([NH3+])COC1C([NH3+])CC(=O)[O-],0,GDB ChEMBL
201339,CCC(C)CC1CC(C)(C)CC(C)C1C,0,GDB ChEMBL
271145,COCC1[NH2+]C2C(=NO)C1CC2O,0,GDB ChEMBL
216541,CCCC1(C)CC2CCC1C1(C)CCCC2C1,0,GDB ChEMBL
255155,CC1OC(=O)C(C)(NC(N)=[NH2+])C1N,0,GDB ChEMBL
215442,CC1C(=O)[N-]C(C#N)C1NC(N)=[NH2+],0,GDB ChEMBL
222146,C[NH2+]C(C)C(C)CCC(C)CCC(C)C,0,GDB ChEMBL
342587,[NH3+]C1CC=CC=C(CO)C1,0,GDB ChEMBL
277683,COCC(O)C1(CC[NH3+])COC1S(N)(=O)=O,0,GDB ChEMBL
303353,CC(C)(CO)CC[NH2+]CC1CC1,1,GDB ChEMBL
104677,C=C(C)CCCCCC=CCCC,1,GDB ChEMBL
134782,CC1C=CC(CCO)C1C1(C#N)CN(C)C1,0,GDB ChEMBL
285079,CC1(C)CCCC1(C)c1ccc2occc2c1,1,GDB ChEMBL
244584,CCC(CC1(C)C=CCC(C)O1)C(C)C,0,GDB ChEMBL
47506,CC1C2CC(C(=O)[O-])C([NH3+])C1[NH+]=C(N)N2,0,GDB ChEMBL
234481,CC1CCC2CC(C(=O)O1)C1NC(=O)OCC21,0,GDB ChEMBL
354574,CC(C)C(O)C(O)CC1CC1,1,GDB ChEMBL
165658,O=CC(CCO)NCc1ncc(NCCO)s1,1,GDB ChEMBL
297228,CC(=O)OCC(C)(C)CO,1,GDB ChEMBL
24469,CC(C)C12CCOC(=O)C(C)(NC1)C([NH3+])CC2,0,GDB ChEMBL
367637,CCC12CCC(CC1C1CCCC1)C2(C)C,0,GDB ChEMBL
386155,CC(C1CCN2CC12)[NH+](C)C,0,GDB ChEMBL
34235,CCC(O)(C[NH3+])CC(C)[NH3+],0,GDB ChEMBL
198793,CNc1c(N)ncc(OC)c1Cl,1,GDB ChEMBL
284868,Fc1cccc2c1CCC(C1CC1)=CC2,1,GDB ChEMBL
151144,C[NH2+]C1CC(N(C)C(N)=[NH2+])C1COC,0,GDB ChEMBL
358309,C#CCCC1C2C[NH2+]C2C(C)C1OC,0,GDB ChEMBL
151796,CC(CCO)C([NH3+])C1NCC1O,0,GDB ChEMBL
204666,CC1=CCC(CC2(CC=O)CC2)CCC1,0,GDB ChEMBL
382093,Cc1cc(I)cnc1C(C)C,1,GDB ChEMBL
265488,CC1=CCC2(C)CCC=CCCCC12,0,GDB ChEMBL
180804,O=C1NC2C3C1N(CCO)S(=O)(=O)C23,0,GDB ChEMBL
150484,CC1C2CC2NC2CC[NH+]1C2,0,GDB ChEMBL
261373,CC(CCC1CCC1)C1CC=CCC1,1,GDB ChEMBL
239325,C#CCC(C(N)=O)C1(C)CNC(=O)C1O,0,GDB ChEMBL
136073,CCC1[NH+](C)CCC([NH3+])C1(C)C,0,GDB ChEMBL
61863,CC(=O)OCCc1nc(C)c(C2C[NH2+]C2)o1,0,GDB ChEMBL
252101,CC1N=C(NC=[NH+]C2CC[NH2+]CC2)NC1=O,0,GDB ChEMBL
180002,Cc1cnnn(C)c1=O,0,GDB ChEMBL
203490,CC1C=CC[NH+](C)CC2(CO2)CC(C)C1,0,GDB ChEMBL
334137,CCC1C(=O)OC2CC(O)C(=O)C21,0,GDB ChEMBL
377916,C#CC1(c2cccc(N)c2OCC=O)CC1,0,GDB ChEMBL
162880,O=C1NC(=O)C2CC1NS2(=O)=O,0,GDB ChEMBL
358514,CC12CC(O)C3CC(C(N)=O)C1N32,0,GDB ChEMBL
240029,CNc1ncnc(=NC(C[NH3+])CC(=O)[O-])s1,0,GDB ChEMBL
78639,COC1CC(C)C2(C(N)=O)NC(=O)C1(O)C2N,0,GDB ChEMBL
316257,CCC1(C)C[NH+]=C(N)C(CO)C(O)(C(=O)[O-])C1,0,GDB ChEMBL
246373,CCCC1C(C)CC2CC1(C)C1CCC2CC1,0,GDB ChEMBL
7828,CC1COC2C[NH2+]C(C=O)CCC2NC1=O,0,GDB ChEMBL
102285,COC(C)CCc1cnsc1,1,GDB ChEMBL
193183,CC1COC(=O)C(=O)N(S(C)(=O)=O)C=N1,1,GDB ChEMBL
112747,Nc1c[nH]nc1NC(CO)C(=O)[O-],0,GDB ChEMBL
230757,NC(=O)C1(C2C([NH3+])C2O)COC(=O)N1,0,GDB ChEMBL
152063,CCC(C)C1COC(CC=O)C1,1,GDB ChEMBL
255511,NC(=O)NC(C(=O)[O-])C1([NH3+])CC1,1,GDB ChEMBL
297045,CCC(C)C(C)C(C)C1CCCC(C)C1,0,GDB ChEMBL
129828,CNC(=O)C1(N)CC(C)C(=O)NCCC1C#N,0,GDB ChEMBL
255500,CCC[NH2+]CCCCc1cc(O)cncc1=O,0,GDB ChEMBL
262206,Cc1cc(CCCC([NH3+])CN)c(C)n1C,1,GDB ChEMBL
147366,NC(=O)OC1C(=O)C(CO)C1C(=O)[O-],0,GDB ChEMBL
289999,O=C1CC2CC3(CC[NH2+]C3)CC(=O)C2N1,0,GDB ChEMBL
223287,C[NH2+]CC1CC(C)(CCC#N)C1,0,GDB ChEMBL
156766,Cc1c(F)ccc2cccc(O)c12,1,GDB ChEMBL
331190,C#CCCC(C)C1(OCC)CCCC1(C)CC,0,GDB ChEMBL
296049,CNc1cc(F)c(COC2CCC2)c(F)c1,1,GDB ChEMBL
122012,Cc1cc2c(cc1Br)C1(C)CC2C1,1,GDB ChEMBL
272545,C#CC1CC(C[NH3+])CC(O)CC1CC,0,GDB ChEMBL
34953,C[NH2+]C(C#CC[NH3+])C(=O)[O-],0,GDB ChEMBL
362195,Cc1ccnc(Cc2ccoc2)c1,1,GDB ChEMBL
352184,CC1C(=O)C(C#N)(CC(N)=[NH2+])CNC1C(N)=O,0,GDB ChEMBL
368483,CN1C2C3COCC(C3O)C21,0,GDB ChEMBL
288908,NC(=O)OC1=NCC([NH3+])C(O)C1,0,GDB ChEMBL
30340,COC(C)C([NH3+])C(O)C1CC1(C)O,0,GDB ChEMBL
235946,O=C1CCNCc2ccc(o2)S(=O)(=O)[N-]1,0,GDB ChEMBL
354740,NC(=O)C12CCC(O)CC(CC1)C2,1,GDB ChEMBL
40383,COC1C(C)C2CCC1(O)C1CCC([NH3+])CC21,0,GDB ChEMBL
355760,CC(O)C1C[NH2+]C2C(C[NH3+])C(CCO)=CC12,0,GDB ChEMBL
304326,C#CC1=CCCC(C)C(=O)N1C(C)C,0,GDB ChEMBL
274120,CC(=O)NCCN1CC1C,1,GDB ChEMBL
209892,CCC(C)C12C[NH+](CCCC(C)(C)C1)C2,0,GDB ChEMBL
94843,CCOC1(CC([NH3+])CC)CC1,0,GDB ChEMBL
251439,Clc1cccc2c1C#CCCC1CC1C=C2,1,GDB ChEMBL
30350,CC(=O)NC(=N)N(C=[NH2+])CC(=O)[O-],1,GDB ChEMBL
249492,CC(C)C(C)(C)C1COC1,1,GDB ChEMBL
70982,CCCCC1(C)CC(C)(OC)C(C(C)C)C1C,1,GDB ChEMBL
135774,CCC12C(=O)[C-](C#N)C(O)CC1=CCC2O,0,GDB ChEMBL
299775,O=C1NCCC2C(O)CN12,1,GDB ChEMBL
304140,CC1NCc2cc(O)cc(=O)n2C12CC2,0,GDB ChEMBL
330748,CCCCC1C(C)C2CC1(C)C1CC21,0,GDB ChEMBL
70769,CC=CC(=CC=CCCC)C1CC1,1,GDB ChEMBL
375177,CCC1CC2([NH3+])CCCNC2C1C#N,0,GDB ChEMBL
81115,C[NH2+]CCNC(=O)n1cc(C)cn1,1,GDB ChEMBL
198633,COC(=O)NC(C(O)C[NH3+])S(N)(=O)=O,0,GDB ChEMBL
368491,CC1CCC(CC(=O)C2CC2)O1,1,GDB ChEMBL
182304,Cc1c(C[NH2+]CCCC(C)[NH3+])coc1[O-],0,GDB ChEMBL
51018,CC([NH3+])C(CO)C1OC1(C)C(=O)NC(N)=O,0,GDB ChEMBL
208537,CCC1C(C)(C)C1(C[NH3+])CO,0,GDB ChEMBL
9893,CC1CC2(C#N)NC2C1CO,0,GDB ChEMBL
160979,CC#CC1CCCC(C(C)(C)C)CCC1,0,GDB ChEMBL
273462,O=C1CCC2C3CCCCC(CC3)C12,0,GDB ChEMBL
174926,CN1CCC(O)CC(C(N)=O)S1(=O)=O,0,GDB ChEMBL
306361,CCC(CC1C(=N)OCC(O)C1C#N)C(N)=O,0,GDB ChEMBL
16032,CCCC1CC(=O)C[NH2+]1,0,GDB ChEMBL
309799,C#Cc1c(CCCCO)ccc(I)c1C,1,GDB ChEMBL
186563,COC(C(O)CS(C)(=O)=O)C(CO)(CO)OC,0,GDB ChEMBL
320757,CC(CN(C)S(C)(=O)=O)C1OC(C)C1[NH3+],0,GDB ChEMBL
308332,CC12COC(=N)NC(=[NH2+])NC(C(N)=O)C1C2,0,GDB ChEMBL
16763,COC1CC2(O)CCC([NH3+])C(CC2)C1C,0,GDB ChEMBL
366069,C[NH2+]C12CN=CN(C=O)C(CO)C(C1)C(C)C2,0,GDB ChEMBL
259713,NC1=[NH+]CC(C2COC(=O)C2O)N1,0,GDB ChEMBL
115409,CCOC1C=CC(C)=CC#CC[NH+](C)C1,0,GDB ChEMBL
358135,O=C1CC2CC(O)C13C[NH2+]C23,0,GDB ChEMBL
342606,CC(O)C([NH3+])C(C#N)CCc1ncns1,0,GDB ChEMBL
221391,Cn1cc(C2C(C#N)N3CCC2(C[NH3+])C3)nn1,0,GDB ChEMBL
252659,CCCCC1[NH+](C)C2(C)CC(C)C1([NH3+])C2,0,GDB ChEMBL
280651,O=C1OC(C2CCOCC2)C2CNC12,0,GDB ChEMBL
113551,Cc1cc(O)c(Cl)nc1N,1,GDB ChEMBL
67642,CCC(CS(N)(=O)=O)([NH2+]C)C1(C)CO1,0,GDB ChEMBL
104436,[NH3+]CC1=CCCCC(CC(F)(F)F)C1,0,GDB ChEMBL
17443,C[NH2+]Cc1c(C)c(C2CC2)c(O)c(I)c1O,0,GDB ChEMBL
207712,CC1(C(N)=O)NC(=O)OC1OCC[NH3+],0,GDB ChEMBL
292558,C[NH+](CC(N)=O)C1CCC2C=CC(C1)C2O,0,GDB ChEMBL
222067,CN=C(OCCCS(N)(=O)=O)C(=O)CO,0,GDB ChEMBL
121955,C#CC1OCC(C)(COC)C1[NH2+]CCCCO,0,GDB ChEMBL
161792,O=C(CO)Nc1snc([O-])c1C(=O)[O-],0,GDB ChEMBL
43511,CC(C)=CCC=C1C2CCC1CC2,1,GDB ChEMBL
116632,CCNC(=O)OCc1nn[n-]n1,0,GDB ChEMBL
87495,CC(C)C1CC2CC2CC1[NH3+],0,GDB ChEMBL
24474,CCC1NC(C[NH3+])c2c1c1[nH]ccc1n2C,0,GDB ChEMBL
149313,C=C1C=C(C)NC(=O)OC(CO)C1,1,GDB ChEMBL
284732,C#CC(CCC)CC1CC(C)CCCC(C)C1,0,GDB ChEMBL
301213,CC1CC=C(C(O)C(C)C)C1,1,GDB ChEMBL
153303,CC1=CC=CC(C)CC=CCC(CO)=C1,0,GDB ChEMBL
130206,CCC1OC2(CS(N)(=O)=O)C([NH2+]C)C2C1[NH3+],0,GDB ChEMBL
128273,CC1=CCCCC(C)C(C)CCC(C)=C1,0,GDB ChEMBL
257534,CC1(C)CC2CC(=O)NCC=C1C2(C)[NH3+],0,GDB ChEMBL
142892,CCc1cc(Br)c(OCC#N)c(C)c1Br,1,GDB ChEMBL
29472,CCC(CC)CC[NH2+]CCC#N,0,GDB ChEMBL
278131,CC(=NCCO)OC(C)C(=O)[O-],0,GDB ChEMBL
180962,[NH2+]=C1CN2CC([NH3+])(C(=O)[O-])CC([NH3+])C2CN1,0,GDB ChEMBL
136692,CCCC(C)C1C=CC=C(C)C=C1,0,GDB ChEMBL
315266,CNc1cccc2c1C(C)=CCCC2,1,GDB ChEMBL
132302,Fc1cc2ccc1C1CC1C=CC#CC2,0,GDB ChEMBL
79331,CC[NH2+]C(C)(C)C1CCOC1CS(=O)(=O)[O-],0,GDB ChEMBL
127261,C#CCC1CC=CCC(C)C1,1,GDB ChEMBL
255556,CCN(C1COC1C#N)S(C)(=O)=O,1,GDB ChEMBL
124137,CC1CCC(C)(CC#N)N(C=O)CC(C)C1,0,GDB ChEMBL
243916,C#Cc1c(F)cc(F)c2c1C(CCC)CC2,1,GDB ChEMBL
354996,CC1CCC2CCC(=O)NCC=CC1C2O,0,GDB ChEMBL
38886,COC1(C(=O)CCNC(N)=O)COC1,1,GDB ChEMBL
121977,COC(=O)NCC(C)OCC(F)(F)F,1,GDB ChEMBL
330118,N#Cc1ccc(O)cccsc1,0,GDB ChEMBL
51013,CCC12C=CCC1c1ccc(Cl)cc1C2C,0,GDB ChEMBL
296394,C#CC(C([NH3+])CCCCC(C)O)N1CCCC1,0,GDB ChEMBL
217658,CS(=O)(=O)n1ncnc1NCCC[NH3+],1,GDB ChEMBL
198818,COC(=O)C1C([NH3+])CNS(=O)(=O)OC1(C)C,0,GDB ChEMBL
224018,CCCC1C(O)C(=N)NC(=O)C2CN21,0,GDB ChEMBL
328853,CC(C)C1(CO)CCC(O)C(=O)N1C,0,GDB ChEMBL
313714,O=C1NC2COC3C1C3C(O)C2,0,GDB ChEMBL
121773,CC[NH2+]C(C)CC1CC(C[NH3+])(CO)C=C1C,0,GDB ChEMBL
265234,C[NH2+]CC(=O)NC(C[NH3+])C(N)=O,0,GDB ChEMBL
354830,CCCNc1occ(C[NH2+]C)c1C,0,GDB ChEMBL
171884,NC(=O)c1cc(C(=O)[O-])c(C[NH3+])[nH]1,0,GDB ChEMBL
170412,COCCN(C)C1(C)C[NH+]=C(N)NC1=[NH2+],0,GDB ChEMBL
119953,CN(C=[NH2+])C(CO)CCS(N)(=O)=O,0,GDB ChEMBL
196717,CCCC1CNc2cc(I)c(C3CC3)cc21,1,GDB ChEMBL
343219,C[NH2+]C12CC(=O)N(C)C(C(C)C)C1C2C,0,GDB ChEMBL
34164,Cc1cc(C(F)(F)F)cc(CC(C)(C)[NH3+])c1C,0,GDB ChEMBL
147429,CN(C)C(N)=[NH+]C(C)(C)C#CCCC[NH3+],0,GDB ChEMBL
280900,CCC1C=CCCCC(C)(C(F)(F)F)C1,0,GDB ChEMBL
20077,CCC1C(=O)CC=CCC1(C)C(C)CO,0,GDB ChEMBL
149355,CC1CC1C[NH+]1C2CCC(C)C1C(N)C2O,0,GDB ChEMBL
104425,CC[NH+]1C2CC3C1CC2N3C,0,GDB ChEMBL
221891,Cc1ccc(O)c(C23CC=CC2O3)c1Cl,0,GDB ChEMBL
160867,NS(=O)(=O)CCc1n[nH]cc1C(=O)C(=O)[O-],0,GDB ChEMBL
131670,CC=CC[NH2+]C1(C(C)CC)COC1,0,GDB ChEMBL
26050,CC1CC2CCC3CCCCC32CO1,0,GDB ChEMBL
362584,C[NH2+]C(C)C1CC2CC1(C)COCC2C,0,GDB ChEMBL
308689,CC12OC1C(=O)CC2C1CCCCC1,1,GDB ChEMBL
222842,CCc1ccc(=O)c(CNC=O)cc1C[NH3+],0,GDB ChEMBL
135417,C[NH2+]C(CO)C1C(C)N2CC1(C#N)C2,0,GDB ChEMBL
34783,CCn1ccc(C#N)c1O,1,GDB ChEMBL
383338,CC1C=CC2CCCCC=CCC2C1,0,GDB ChEMBL
61666,CCC1C=C(C)C[NH+]1CC(C)=O,0,GDB ChEMBL
109779,CN1C(=O)NC(=O)C2(C(N)=O)C(=O)NCC12,0,GDB ChEMBL
338884,COCC1C=C(C(=O)[O-])CO1,1,GDB ChEMBL
368547,Cc1c(CC(C)[NH3+])c[nH]c(=N)c1F,0,GDB ChEMBL
49133,CC1NC(=O)N(C)C1COC(=O)CO,1,GDB ChEMBL
118400,N#CC1C(c2ncco2)N=C(N)N1C1CC1,0,GDB ChEMBL
8789,CNC1C(O)C=C(CC(C)[NH3+])C1C#N,0,GDB ChEMBL
170077,COC1CC1(O)CNC(C#N)C=O,1,GDB ChEMBL
236689,C[NH2+]C(COCC(O)CCC=O)C(=O)[O-],1,GDB ChEMBL
306380,CCCC(O)c1cc(C[NH2+]C)c[nH]1,0,GDB ChEMBL
208566,CCC(CC(=NO)C(=O)[O-])C(C)(O)COC,0,GDB ChEMBL
135411,C#CC1C(=O)OC2C(O)CCOC1C2C[NH3+],0,GDB ChEMBL
173718,C#CCOCC([NH2+]CC)C1CO1,0,GDB ChEMBL
187260,CC[NH2+]C1CC(C)C(C)C2(CC2)C1,0,GDB ChEMBL
127720,NC(=O)C1COC(=O)C2CN1C2,0,GDB ChEMBL
261368,CC1C(C)([NH3+])C2COCCC[NH+](C)CC12O,0,GDB ChEMBL
397982,COCCC(CC1(C)CC1)N(C)C=[NH2+],0,GDB ChEMBL
281012,CCCC1CC(C)C2CC1(O)CC2C,0,GDB ChEMBL
38565,COCCC1C=CCOCC1,1,GDB ChEMBL
26046,CC(O)C1Cn2nccc2C1(C=O)CO,0,GDB ChEMBL
113574,CC(C[NH+](C)C)C1CC(OC=[NH2+])CC1[NH3+],0,GDB ChEMBL
38151,CNC(=[NH2+])CC(O)CN(C)C(C)=O,0,GDB ChEMBL
277088,O=C1NCC(O)C2OC2CO1,1,GDB ChEMBL
271575,N#CC(N)C(=O)NC1CCC1O,1,GDB ChEMBL
206991,COCC1CC2(C[NH2+]C(C)C2O)CC(=O)N1,0,GDB ChEMBL
258700,CCC([NH3+])COC1CS(=O)(=O)NC1C(=O)[O-],0,GDB ChEMBL
66615,CC#CCc1csc(CC(=O)[O-])n1,1,GDB ChEMBL
101479,CCn1c(CO)cc(C(C)[NH2+]C(C)CO)c1C,0,GDB ChEMBL
263845,CCC(C=O)C(C)(C)N(C)c1ccc(Br)cc1,1,GDB ChEMBL
223283,CCNC(C[NH3+])(C[NH3+])CN1C=[NH+]CC1C(=O)[O-],0,GDB ChEMBL
293800,NCC1(CO)C(C(O)C(=O)[O-])N1C(N)=[NH2+],0,GDB ChEMBL
379671,CC([NH3+])CNC1C(C#N)C1C(O)C(=O)[O-],0,GDB ChEMBL
112661,COC1CC(C)C2COC2C1,0,GDB ChEMBL
182249,Nc1nc2c(F)cccc2[nH]1,1,GDB ChEMBL
305355,COCCCC(C[NH3+])C(=O)Nc1nc(N)n[nH]1,1,GDB ChEMBL
19608,CN1C(=O)CC(S(C)(=O)=O)CC2OCC21,0,GDB ChEMBL
347946,COC(=O)C1N(C)C(C[NH3+])CC1(C)C,0,GDB ChEMBL
111510,COC(C#CC(C)(C)C)C1OCC(O)C1[NH3+],0,GDB ChEMBL
246834,O=C1NCC2(C(=O)[O-])CCN12,0,GDB ChEMBL
77006,NC=[NH+]CCNC(=O)CCOC=O,0,GDB ChEMBL
355021,COCC12C3CC(C)C1C2C[NH2+]3,0,GDB ChEMBL
303874,CC[NH+]1CCCCC2(CC)C=C(CO)C1C2,0,GDB ChEMBL
194713,C=CC1CC2C(CC(C)CC)C2C1,1,GDB ChEMBL
305104,CCC(C)C1=CC(C)C(O)C1,1,GDB ChEMBL
347904,CC1CC2CC(O)CC2CN(C)C(N)=[NH+]1,0,GDB ChEMBL
389074,C[NH2+]C1C(C(N)=O)=C(C)C(O)CC1O,0,GDB ChEMBL
62009,CC1=CCCC=CCC2OC2C1,1,GDB ChEMBL
359059,C#CC1([NH2+]Cc2ccc(O)cc2C)CCOC1,0,GDB ChEMBL
87026,CC1CCCNC=[NH+]C(CN)CC1(C)O,0,GDB ChEMBL
247321,N=C1OC(C(N)C[NH3+])CC(O)C(O)C(CO)O1,0,GDB ChEMBL
259500,OCC1=CC[NH+]2C1CC1CC12,0,GDB ChEMBL
274049,C#CCOCCOCC(C=C)C[NH3+],0,GDB ChEMBL
173834,CCCC(O)CCC1(C2CC2C)CO1,0,GDB ChEMBL
177993,NC(=O)C1(C(CO)C(N)C[NH3+])CNC(=O)C1,0,GDB ChEMBL
116071,CCC1[NH2+]CC=CC2=CCCC2C(C)C1O,0,GDB ChEMBL
173695,C[NH2+]Cc1c(C)cnn1CC1CN1C,0,GDB ChEMBL
399002,CC1CNC(=O)C2C(C)C([NH3+])C2(O)C(=O)O1,0,GDB ChEMBL
266489,Nc1nc(CO)cc(=O)cc1[N+](=O)[O-],0,GDB ChEMBL
157495,C#CCC1CC2CC(C)C1(C)CC(C(C)C)[NH2+]2,0,GDB ChEMBL
157460,CC(=O)CC1[NH2+]C2CC1N1CCCC1C2C#N,0,GDB ChEMBL
228421,C=CC(CCC)C(C)C1[NH2+]C1CO,0,GDB ChEMBL
210755,CCC(C)CC1CC2(CCCC2)C1,1,GDB ChEMBL
377982,N=C(N)c1c([O-])nsc1CC(=O)[O-],0,GDB ChEMBL
332660,CC1=CCC(C)(C)c2ccc(Cl)cc21,1,GDB ChEMBL
234918,C[NH2+]CC1C(OC)C1OC(N)=O,0,GDB ChEMBL
76360,O=C1NC(CC(O)CO)C(O)C(O)C1O,0,GDB ChEMBL
229441,CCC1COCC=CC2CCC3OC3C2[NH2+]1,0,GDB ChEMBL
256028,CCC[NH+](Cc1cc(N)cc(I)n1)CC(C)C,0,GDB ChEMBL
245849,CC1(CO)CC2OC1(C(=O)[O-])C([NH3+])CC2O,0,GDB ChEMBL
266263,CCC(=O)CC12CCCCC1C2CC,0,GDB ChEMBL
319816,C#CCC1(C)CC=C(C)CCC1,1,GDB ChEMBL
53707,CC#CC(OCC)C(F)(F)F,1,GDB ChEMBL
221402,CCc1c(C[NH3+])nn(C(C)(C)C)c1C,0,GDB ChEMBL
385354,CC1=CCC2(C([NH3+])C3CC3)[NH2+]CCCCC12,0,GDB ChEMBL
361818,CC(C)C1CC2CC2[NH+]1C1CC1C#N,0,GDB ChEMBL
274415,CC[NH+]1CC=CC1(C)Cc1cccs1,0,GDB ChEMBL
195358,CC1=CCC2CC(C2)[NH2+]CCC1=O,0,GDB ChEMBL
382538,CC(C)C12CC(CO1)NC(=O)OC2C(=O)[O-],0,GDB ChEMBL
336642,CC12NC(=O)C1C(O)C(CO)OC2=O,0,GDB ChEMBL
47224,CCC1(c2ccco2)CCC([NH2+]C)C1,0,GDB ChEMBL
276119,CCNc1c(O)c(C=O)c(C)[nH]c1=O,1,GDB ChEMBL
107695,C#CCCCc1c(Br)ccc2c1C(C)C(C)O2,1,GDB ChEMBL
366034,CCCC(OC)C(C)C1CC1O,1,GDB ChEMBL
11263,CC1CC2C(O)CC1OC(=O)C2N,0,GDB ChEMBL
394934,CNc1cc2cn(C(N)=O)nc2c(Cl)n1,1,GDB ChEMBL
209894,CC1CC=Cc2c(Cl)cc(Cl)cc21,1,GDB ChEMBL
156786,NC(=[NH2+])C(O)CC(O)CCC[NH3+],0,GDB ChEMBL
326430,COC(=O)NC1C(O)C1S(=O)(=O)[O-],0,GDB ChEMBL
18810,CCC1=CCC(C)(C(C(C)C)[NH+](C)CC)C1,0,GDB ChEMBL
130890,CCCCCC(CO)COCC,1,GDB ChEMBL
342642,C#Cc1cc2c(cc1Cl)C(CC)CC2,1,GDB ChEMBL
258033,CC1(COc2ccccc2Br)CCC1,1,GDB ChEMBL
289413,CCC12C(O)CC(=O)N1C2C=O,0,GDB ChEMBL
338925,CCCC1COC2C=CC1CC2,0,GDB ChEMBL
332460,CC=C1CC(C)CC1NCC[NH2+]C,0,GDB ChEMBL
331485,CC(=O)c1c(Cl)cc2c(c1CO)CCC2,1,GDB ChEMBL
44302,CC1CCC2C3CC=CCC(C3)C2C1,0,GDB ChEMBL
252874,CC[NH2+]C(C)(C)CC(C)C1CC1,0,GDB ChEMBL
366572,NC(=[NH2+])NCC12C[NH2+]CC1OCC2(O)C(=O)[O-],0,GDB ChEMBL
70929,C#CC1C[NH+](C)CCC(C)=CC2(CCC2)C1,0,GDB ChEMBL
103524,CNC(=O)CCC1C2CC[NH2+]C1(C)C2,0,GDB ChEMBL
358258,COCC(CC=O)N(C)C=O,1,GDB ChEMBL
313747,CC1NC(=O)C2C(C)C(O)C(O)C12,0,GDB ChEMBL
75011,COC1C(N)C1(C[NH3+])NCCO,0,GDB ChEMBL
165264,COC(C)CC1(C)OC2CC(CCO)C1C2,0,GDB ChEMBL
109709,COCCC([NH3+])C(=O)NC=N,1,GDB ChEMBL
383719,CC1OCCC2(C(=O)[O-])NC12,0,GDB ChEMBL
113539,CCC1CC(C)C(O)C(=O)N1,1,GDB ChEMBL
379195,NC(=[NH2+])NCC(N)CC(O)C[NH3+],0,GDB ChEMBL
249802,C#CCC(C[NH3+])C(C)OC,0,GDB ChEMBL
366589,COCC1C2=CC([NH3+])C(C)(O)C2CC1C,0,GDB ChEMBL
104960,[NH2+]=C1NCC=C1C(=O)OCCO,1,GDB ChEMBL
115598,CC1OC2C(=O)[N-]C(C#N)C2O1,0,GDB ChEMBL
174246,COC1CC(C(N)=O)C(O)CC2(CO2)C1,0,GDB ChEMBL
215717,C1=CCCC2CC(C2)[NH2+]CC1,0,GDB ChEMBL
219553,C#CC(C#C)N(C)CC(=O)CCCC=O,1,GDB ChEMBL
191337,C#CCCCc1c(Cl)c(C#C)cc(C)c1CO,1,GDB ChEMBL
27820,CCCCC(CCC(C)C[NH3+])CC(C)C,0,GDB ChEMBL
222122,C=CC=CC1C(=O)OC(CC)C1[NH3+],0,GDB ChEMBL
259376,N#Cc1ccc(I)c2c1OCCN=C2N,1,GDB ChEMBL
292183,C1=C2CCC(C[NH2+]C2)Oc2nccnc2C1,0,GDB ChEMBL
330388,CN1C2CC3(C)CC(=O)NCC3C21C,0,GDB ChEMBL
84839,COC(CO)C(=O)NC(C=O)C1C[NH2+]C1C,0,GDB ChEMBL
358893,CCC1CN1CCCC[NH3+],1,GDB ChEMBL
261459,[NH3+]C1C2OC(=O)C(NC3CC3)C12,0,GDB ChEMBL
190796,CCC1CC=C(C(C)C)C2(CC2)CC(=O)C1,0,GDB ChEMBL
202783,C#CCN(C(N)=[NH2+])c1ccn(C(C)C)n1,0,GDB ChEMBL
262313,CN1C(=O)CC([NH3+])(CCC2CC2)CC1(C)C,0,GDB ChEMBL
374925,CCOCCS(=O)(=O)N1C(=O)CC1C,1,GDB ChEMBL
55548,CCNc1cc(N)c(C=O)c(F)n1,1,GDB ChEMBL
71418,CCCCC(C)CC(C)C(C[NH3+])C(C)CCC,0,GDB ChEMBL
57284,CNC(=O)C(N)C12CNS(=O)(=O)C1O2,0,GDB ChEMBL
15515,C=CCC1C(C)[NH2+]CC2OC2C1C,0,GDB ChEMBL
218295,N#CC1NC(C(N)=O)C(CO)C(O)C2OC12,0,GDB ChEMBL
195201,C=C1CC2C(=O)C3C(C)CC2(C)C13,0,GDB ChEMBL
283456,CC(C#N)CNC(CO)C(C)[NH3+],1,GDB ChEMBL
13164,CCOC(C)(C)CC(=N)OC,1,GDB ChEMBL
4793,C[NH2+]CC1=NC(C)COCC(CO)(COC)N1,0,GDB ChEMBL
89676,[NH3+]C1C(O)C12NC(=O)CNC2C(=O)[O-],0,GDB ChEMBL
375557,CC1Cc2cccc(F)c2C2C(C[NH3+])N12,0,GDB ChEMBL
341129,CC1=CCC2=CCC=CCCCC2C1,0,GDB ChEMBL
11375,CC(O)C(CO)OC1C(O)CC(O)C1O,1,GDB ChEMBL
263449,CCC1N=C(N)C2OCC(=O)OC(CO)C1O2,0,GDB ChEMBL
50929,CC1CC2CCOC2C1O,1,GDB ChEMBL
127754,NC(=O)N1C2CCCNS(=O)(=O)CC21C[NH3+],0,GDB ChEMBL
148738,C=CC1OC(C)C(O)C(=O)C1CO,0,GDB ChEMBL
95521,NC(=[NH2+])C(O)CN(CCCO)C(=O)C(=O)CO,0,GDB ChEMBL
388248,CC(OC(N)=O)C1CC(=O)NC=N1,0,GDB ChEMBL
6832,CS(=O)(=O)CNC(N)=[NH+]CC(O)CO,0,GDB ChEMBL
201067,CC(O)C1C2[NH2+]CCC2C1C(=O)[O-],1,GDB ChEMBL
336613,CCC([NH3+])C1C(C[NH2+]C)CC2C[NH2+]C1(C)C2,0,GDB ChEMBL
163375,C#CCC(CO)C[NH2+]C,1,GDB ChEMBL
310143,NS(=O)(=O)CC1C(CO)OCC(O)C1[NH3+],0,GDB ChEMBL
77000,CNC1C2[NH2+]CC(C(=O)[O-])C12N,0,GDB ChEMBL
123014,CC(=O)N(C)C(=N)C(O)C#N,1,GDB ChEMBL
286136,CN1C2CC3[NH2+]CCC2CC31,0,GDB ChEMBL
42250,CCCn1cc2c(c1CC)CC1(CO)CN21,0,GDB ChEMBL
222563,N#CC12C[NH2+]CC1(CC(N)=O)C2NC(N)=[NH2+],0,GDB ChEMBL
397935,CCC1CCC(C23CCC([NH2+]C2)C(C)O3)C1,0,GDB ChEMBL
300172,COC1(CC2CC(=O)CC2C)CCC1,1,GDB ChEMBL
252287,CCC1C=CC(O)C(=O)N1CC[NH2+]C,0,GDB ChEMBL
325917,CC#CC1C=CC(CCCO)C[NH2+]1,0,GDB ChEMBL
301211,CCC(O)(CO)C(O)(CC#N)C([NH3+])C(=O)[O-],0,GDB ChEMBL
29436,N=C1NC(=O)c2c(N)ncn2CC1[NH3+],0,GDB ChEMBL
169472,C[NH2+]C(CCC(C)C)C(C=O)NC=[NH2+],0,GDB ChEMBL
68630,FC(F)(F)C1=CCCCCCCCCCC1,1,GDB ChEMBL
363561,COCC(C)CC1C(C#N)C1CC(C)(C)C,0,GDB ChEMBL
348427,CCCCC12CCCC(CCCCC[NH2+]1)[NH2+]C2,0,GDB ChEMBL
95546,COC(=O)C1=C(N)CCNC1CC#N,1,GDB ChEMBL
296369,Nc1c(CCO)cc(O)csc(C[NH3+])nc1O,0,GDB ChEMBL
236621,CCC1C(=NC2CC2)NC(=O)C1O,0,GDB ChEMBL
183479,CN1CC(C=O)=CC(CC#N)C1,1,GDB ChEMBL
311307,CCC1(C)C2C=CC(C)=CC1C(O)C2C,0,GDB ChEMBL
290531,COC1=NC(CO)C(C)(NC(N)=O)C1,0,GDB ChEMBL
3973,OC1C[NH2+]CC2(CCOCC2)C1,0,GDB ChEMBL
350923,CC[NH2+]CC1(CO)CCC(C)CC(C)CC1=O,0,GDB ChEMBL
141832,CCC1(C)CCC([NH+](C)C)c2ccnc(C)c21,0,GDB ChEMBL
217112,CCC1C#CCCCCC2CC2C1,1,GDB ChEMBL
30381,CC(C[NH3+])C(C[NH3+])NC1(C(=O)[O-])CCC1,0,GDB ChEMBL
10633,CCCC(C)(C)c1cc(F)cc(NC)c1,1,GDB ChEMBL
160797,Cc1[nH]cnc1CO,1,GDB ChEMBL
179269,COC1CCC23CCC(CC2C1)[NH2+]3,0,GDB ChEMBL
111613,CC(=O)OCC(O)(CO)C(C)C[NH3+],0,GDB ChEMBL
359185,CCC12CC1CC([NH2+]C)c1ccc(C)cc12,0,GDB ChEMBL
169075,C[NH2+]C1CCNC(=N)NC(=O)C1,0,GDB ChEMBL
324267,CCC(C(=O)COC)c1cc(Cl)c(Cl)nc1C,0,GDB ChEMBL
363214,CNC1C[NH2+]C1C(C)CCO,0,GDB ChEMBL
192608,NC(=O)C1OC(CCO)C2C[NH2+]C12,0,GDB ChEMBL
230383,Cc1cc(=[NH2+])n(C)c(C(C)C)c1CC(C)C,0,GDB ChEMBL
366539,CCCC1(OC)OC(=O)C(n2cccn2)C1=O,1,GDB ChEMBL
384818,CC1=CC(C#N)C(C)(C2CC2)C1,1,GDB ChEMBL
387307,N#CC1(N)C(=O)[N-]C(=O)N2CCN=C21,0,GDB ChEMBL
361806,N#CC1=NC(CCO)C(C(O)CC[NH3+])N1C=O,0,GDB ChEMBL
344280,[NH2+]=c1cc[nH+]c([O-])cc1NCC[NH3+],0,GDB ChEMBL
170113,CC1=CC(C)CC(O)(C#CCCO)CC1,0,GDB ChEMBL
288452,CCCCC1(C)CCCCCC2CC(CO2)C1,0,GDB ChEMBL
144610,Cc1ccc(C2Cn3cncc3CN2)cn1,1,GDB ChEMBL
355335,CC1CC=C(CO)C2C[NH2+]C(C)C(CC1)C2,0,GDB ChEMBL
129830,C#Cc1c(Cl)cc(CC)c2c(Cl)cc(O)cc12,1,GDB ChEMBL
276041,CC1(O)C[NH+]2CC=CC1CC2C(=O)[O-],0,GDB ChEMBL
386697,CC(C)CCCCN=c1ccoc(Cl)c1,0,GDB ChEMBL
121744,CCC1CCC2CC1C1(C)CCC(C)CC21,0,GDB ChEMBL
320304,O=C1OCC2CC1C(C1=CCCC1)C2,1,GDB ChEMBL
353568,CC1C[NH2+]C2(C)CC(C#N)CCC12,0,GDB ChEMBL
76365,CC(C)NC(=O)C1NC(=N)C(C)([NH3+])COC1=O,0,GDB ChEMBL
319835,NC(=O)NC(CO)C1CC(O)CNC(=O)O1,0,GDB ChEMBL
88140,C#Cc1cc(Br)c(C(F)(F)F)c(CCC)c1C,1,GDB ChEMBL
92904,CNC(=N)S(=O)(=O)N[C-](C=O)C(=O)OC,0,GDB ChEMBL
136725,CCCC(C)CC1CC=CC(C)(CC)C1,1,GDB ChEMBL
77522,CC1CC(C#N)CC2CN2C1C,0,GDB ChEMBL
9889,CC1=CC(C)(C2CCCCC2)CC=CC=C1,0,GDB ChEMBL
82126,Cc1c(CO)c[nH]c(=O)c1N,1,GDB ChEMBL
349471,CCC(C1CC1)C(O)C(=O)C[NH2+]C,0,GDB ChEMBL
319298,C#CC12[NH2+]CCCC1C2C([NH3+])C(C)O,0,GDB ChEMBL
138352,CNc1nc(C[NH3+])cc(O)cocc1CCO,0,GDB ChEMBL
339270,CC(O)C1CC1CNC(=[NH2+])N1CC1C,0,GDB ChEMBL
215331,C#Cc1ccc(Cl)c(CCCC(F)(F)F)c1,1,GDB ChEMBL
136660,CCC(COCC(C)C)C1(C(C)[NH3+])CCCC1,0,GDB ChEMBL
285549,C[NH2+]CC1(C(C)OC)CS(=O)(=O)[N-]C(=O)N1,0,GDB ChEMBL
102122,CC(C#N)NC(=N)Nc1ncco1,1,GDB ChEMBL
317207,COC(=N)Nc1cc(C)cc(N)sccc1C,0,GDB ChEMBL
338982,CC(=O)c1c(F)c(O)cc([NH+]=CN)c1N(C)C,0,GDB ChEMBL
97221,CC1CCCC(C)C2C[NH+]2C(C)C1,0,GDB ChEMBL
6822,CCCC(=O)c1ncnc(=O)c(C)n1,0,GDB ChEMBL
77509,CC[NH2+]CCC(CC)C1(CC)CCCOC1C,0,GDB ChEMBL
80202,CNC(=O)C1(C=N[O-])CC(COC)CC1=O,0,GDB ChEMBL
347006,C#CC12COC(C)(C)C1(O)CC(=O)N2C,0,GDB ChEMBL
355175,COC1CC(C)([NH3+])C2(C[NH3+])CC12,0,GDB ChEMBL
296081,CCC[NH2+]C1CC2C=C(C)C1(C)CC2,0,GDB ChEMBL
205953,COCCC1CCC2CCC(CO)C1(O)C2,0,GDB ChEMBL
278234,C#CC(C#C)CCCC(CCC[NH3+])C1CC1,0,GDB ChEMBL
389060,CC(=O)OC1C(C)C(=O)N2C(C(N)=O)C12,0,GDB ChEMBL
174652,CC1=CC23C[NH+]4CCCC4C2CC3C1,0,GDB ChEMBL
116036,CCCC1CCCCC(C)(C)C=C(C)CO1,0,GDB ChEMBL
76502,CCC(C)C1CCC=C(C)CC(C)C1,0,GDB ChEMBL
385919,COCC1CC2CCC=C2C1C,0,GDB ChEMBL
35459,C#CCn1cc2c(n1)C[NH2+]CC2,0,GDB ChEMBL
249445,CC1=CC([NH3+])C(CCO)=CC=CCCCC1,0,GDB ChEMBL
225041,C#Cc1cnc2c(c1)N1CC(O2)C1C,1,GDB ChEMBL
77321,C#CC1CC(C)(C)CCCO1,1,GDB ChEMBL
99446,NC(=O)CCC1(C[NH3+])CCC1O,0,GDB ChEMBL
225186,O=C([O-])C(C(=O)[O-])C12C=CC(CC1)C[NH2+]C2,0,GDB ChEMBL
262576,C[NH2+]C(C)(CNC(=O)C(C)O)COC(N)=O,0,GDB ChEMBL
252283,COCC(C)OC(C(N)=O)C1NC1C,0,GDB ChEMBL
332455,C=C(CO)COC(=N)NC(=O)NC,1,GDB ChEMBL
256037,COCCC(C[NH3+])OC(=N)NC(=O)C(N)=O,0,GDB ChEMBL
186679,C=CC[NH2+]C1Cc2nn(C)nc2C1,0,GDB ChEMBL
351157,CCC1C(C)CCC1C[NH+]1CC(=O)CC(C)C1,0,GDB ChEMBL
126387,[NH3+]C1CCOC1C1CCNS1(=O)=O,0,GDB ChEMBL
119786,C#Cc1nc(N)c(C(C)=O)n1C,1,GDB ChEMBL
112420,CNCC(=O)OC1(C[NH3+])CCC1CC(N)=O,0,GDB ChEMBL
194704,C[NH2+]C1C(=O)C2(O)C(C#N)NCC1C2(C)CO,0,GDB ChEMBL
118485,O=C([O-])C1NS(=O)(=O)CC2NC21CO,0,GDB ChEMBL
247364,CC1CCC2CCCC1(O)C(CO)C2,0,GDB ChEMBL
191516,CCC12CCCCC(C)C(C1)CC21CCCC1,0,GDB ChEMBL
216204,CC1CC2OC2C2CC1C[NH2+]2,0,GDB ChEMBL
351195,C#CC(C)([NH3+])Cc1cc(CC[NH3+])ncc1Br,0,GDB ChEMBL
228390,CCn1c(N)nc2c(COC)c([O-])oc(=O)c21,0,GDB ChEMBL
29245,COC1CC1[NH+]1CCCCCC=C(C=O)C1,0,GDB ChEMBL
22867,CC(=O)NC(=N)N1CCC2CNS(=O)(=O)C21,0,GDB ChEMBL
90325,CC(=O)CC1CCc2c(Cl)cc(Cl)c(Cl)c2C1,1,GDB ChEMBL
383306,C#CC(CC)C[NH2+]C1C(C)CC(C(C)C)C1C,0,GDB ChEMBL
75018,CC1CC(=O)N2CCNC3C(CC(O)C1)C32,0,GDB ChEMBL
273995,C#CC(C)=CC(C=O)OCCCC,1,GDB ChEMBL
283255,CNc1cn(C)nc1NC,1,GDB ChEMBL
398212,CC12OCCNC1C2C[NH3+],0,GDB ChEMBL
18910,CC1C2CCC1C1CCN(C)C(C[NH2+]2)C1(C)C,0,GDB ChEMBL
289236,C#CC(=O)C1(C(C)C[NH+](C)C)CCCCCO1,0,GDB ChEMBL
112376,CC(C)(OC=O)C1CCC(=O)N1,1,GDB ChEMBL
358843,CC[NH+](C)C(C)C1CCC1C(C)(N)C#N,0,GDB ChEMBL
106016,CCC1CCCc2c(OC)cc(F)c(F)c2C1,1,GDB ChEMBL
317603,CC(C[NH3+])C(O)C1NC1C#N,0,GDB ChEMBL
344291,CC1CC2CCCC=CC1(C)C=CCCC2,0,GDB ChEMBL
155819,C#CC1([NH2+]C)CC(C)C2CC(O)C1C2=O,0,GDB ChEMBL
341336,CCC1CC2(C)CC2(CC(CC)[NH2+]C)C1,0,GDB ChEMBL
84962,C[NH2+]CC1CC(C)(OCC(N)C[NH3+])C(C)O1,0,GDB ChEMBL
372626,C#Cc1cc(Cl)c(Cl)c(OCc2nc[nH]n2)c1,1,GDB ChEMBL
391667,C[NH2+]CC(=O)Nc1snc(C(N)=O)c1N,1,GDB ChEMBL
53856,CCCC(C)CCCCC(C)(C)C(C)C,1,GDB ChEMBL
296268,CCC1([NH3+])CS(=O)(=O)NC(=N)C1C(=O)[O-],0,GDB ChEMBL
181557,C[NH2+]C1CC2COC(CC2C)C1CO,0,GDB ChEMBL
227887,CS(=O)(=O)CC1NCC(O)(C#N)C1C(=O)[O-],0,GDB ChEMBL
280448,CN1CCC([NH+]2CCCC2)C1,0,GDB ChEMBL
197448,CC(C)c1ccccc1N1C(C)C1(C)C,1,GDB ChEMBL
104973,C#CC1CC(C=O)[NH2+]CC1C(N)=O,0,GDB ChEMBL
67860,CC1(CC(O)C#N)C(=[NH2+])NC1CCC(=O)[O-],0,GDB ChEMBL
170097,CC[NH+]1CCCCC2C(C=O)OCC21,0,GDB ChEMBL
391787,CC1CC2CC3[NH2+]C1C(C2)C3O,0,GDB ChEMBL
40433,CCN(C=[NH2+])c1cnc(F)c(CCOC)c1,0,GDB ChEMBL
215417,CCC(C)CCC1NC1(C)CO,0,GDB ChEMBL
146037,CCC12CC(OC)C(O)C([NH3+])C1C2,0,GDB ChEMBL
51821,CN1C(=O)OCC1C1C2NS(=O)(=O)C1C2O,0,GDB ChEMBL
73270,NC(=O)c1nc(N)nc(N)c1Cl,1,GDB ChEMBL
398907,CCC(C=O)Cc1nccc(F)c1C(F)(F)F,1,GDB ChEMBL
348701,C[NH+]1C2C(O)C3CC3C1C1CC(=O)NCC12,0,GDB ChEMBL
124571,C=C(c1ccc(Br)cc1)C1CCC1,1,GDB ChEMBL
353924,OC1C2C=CC(c3ccccc3Br)C1C2,0,GDB ChEMBL
280852,CCC(OC)C1C([NH3+])C2COCCC2C1C[NH3+],0,GDB ChEMBL
162481,NC1=[NH+]C(C=O)CC(O)CN1,0,GDB ChEMBL
136053,CN(CCC[NH3+])S(=O)(=O)c1cncs1,0,GDB ChEMBL
225353,CC(=NO)C1C(NC(N)=[NH2+])CCN1C(N)=O,0,GDB ChEMBL
236746,C[NH2+]CC1C=C2CC(C)CC2CC1,0,GDB ChEMBL
362859,CCC(C)CC1(C)CC=CC(C)CC1,0,GDB ChEMBL
4732,C[NH2+]CC1C2=CC(C[NH3+])C1CCC(=O)OC2,0,GDB ChEMBL
79380,NC(=[NH2+])C(N)=NC(CO)CC1OC(=O)[N-]C1=O,0,GDB ChEMBL
124506,Cc1cc(C(F)(F)F)cc(I)c1C1C[NH2+]C1,0,GDB ChEMBL
303319,N#CCC(O)C(CO)OC(N)=[NH2+],0,GDB ChEMBL
44312,[NH3+]C1C(CO)C12OCOC2C(=O)[O-],0,GDB ChEMBL
362172,CC(=O)NC1C=C(C)CC(C(C)=NO)C1,0,GDB ChEMBL
345843,N#CCCC(N)C1C([NH3+])CCNS1(=O)=O,0,GDB ChEMBL
338126,O=CNCC1(O)C(=O)NC(CCO)C1=O,0,GDB ChEMBL
172375,Nc1cc(CC[NH3+])ccsc(N)nc(=O)n1,0,GDB ChEMBL
128258,CC1CC1Cc1ccc(F)c2c1CCC2,1,GDB ChEMBL
321390,O=C1NC2CC(O)CC3(C2)[NH2+]CC13,0,GDB ChEMBL
38541,C#CC1CCC([NH2+]CCOC(=[NH2+])NC)CC1,0,GDB ChEMBL
88146,CC1CC2CC(O)C([NH2+]1)C2C(N)=O,0,GDB ChEMBL
390130,[NH3+]C1C(=O)NCC2OC(CCO)C21O,0,GDB ChEMBL
214862,NC(=O)C1NC12CC(C[NH3+])OCCC2[NH3+],0,GDB ChEMBL
278001,CC(C)(C)C(=O)C1(CO)CC1,1,GDB ChEMBL
332725,CNC(=O)NC1C(C(O)CCO)C1([NH3+])CO,0,GDB ChEMBL
251849,CCC1CCC(=O)C=CC1C,1,GDB ChEMBL
5267,C#Cc1c(C)[nH]c2ccc3ccc(Cl)cc3c12,1,GDB ChEMBL
123037,CCC(C)C1CC([NH3+])C(=N)O1,0,GDB ChEMBL
28287,CCC1CCC#CCCC(C)C1CC(C)=O,1,GDB ChEMBL
304840,CC#CCC(C)C(C[NH2+]C(C)(C)C)[NH2+]C,0,GDB ChEMBL
296326,NC(=[NH2+])NCC1CC(O)C(O)C(C=NO)N1,0,GDB ChEMBL
228454,[NH2+]=C1NC(CCCC[NH3+])C1C[NH3+],0,GDB ChEMBL
225418,CNC1CS(=O)(=O)NC1C([NH3+])C(C)O,0,GDB ChEMBL
274369,CC(CCO)CCC=CC1(C)CC1,1,GDB ChEMBL
67880,Nc1cc(O)nc(CN2CCC2=O)n1,1,GDB ChEMBL
96097,CC(C=O)N1CCOC(C#N)CC1,1,GDB ChEMBL
11360,CC(C)NC(=O)CCC1=CC2CC1(C)O2,0,GDB ChEMBL
221156,C#CC1CN(c2c(I)ccc3c2CCC3)C1,1,GDB ChEMBL
325282,CC(=O)c1cc2n(c1C)CC(=O)OC2=N,1,GDB ChEMBL
156098,COC(=O)NC1CCNc2sncc21,0,GDB ChEMBL
34289,O=C([O-])C1C[NH2+]CC(O)C1CO,0,GDB ChEMBL
163913,[NH3+]C1C(=O)NCCC(O)C([NH3+])C(OC=O)C1O,0,GDB ChEMBL
122909,C#CCC(CC(C[NH3+])(C[NH2+]C)OC)OCCO,0,GDB ChEMBL
133937,CCC(=N)NC(=O)C([NH3+])COC(=O)COC,1,GDB ChEMBL
160993,NC1=NC(C(=O)[O-])C(CO)C2[NH2+]CC2O1,0,GDB ChEMBL
136722,CCC1(C)C=Cc2ccc(Br)cc2C=C1,1,GDB ChEMBL
84875,CC1C(C#CC2CC2)[NH2+]C(CN)C1O,0,GDB ChEMBL
18873,C#CCC(CO)N(CC#C)C(C)C(C)=O,1,GDB ChEMBL
94729,CCNC(=NCCNC(N)=O)C(=O)NC,0,GDB ChEMBL
51847,CCC1C(CCO)C1(C)CC1COC1,0,GDB ChEMBL
104609,OC1CCC2CC[NH2+]C(C1)C2O,0,GDB ChEMBL
367600,N#C[C-](C#N)N1CC(CC[NH3+])OC1=N,0,GDB ChEMBL
338158,[NH3+]C12CNC(=O)C(O)C(OC1)C2O,0,GDB ChEMBL
348817,CCCC=C1CCC(C2COC2)C1,0,GDB ChEMBL
101503,CC(O)(CCCS(=O)(=O)[O-])C(N)=O,0,GDB ChEMBL
81769,Cc1ncoc1CCS(C)(=O)=O,1,GDB ChEMBL
307528,Cc1c(F)cc(F)cc1CC1CCC(C)CC1,1,GDB ChEMBL
235690,CCC1=CC(CC(C)O)CCCCC1C,0,GDB ChEMBL
172340,CC1C(c2noc(=O)[nH]2)N1C(=O)C[NH3+],0,GDB ChEMBL
355399,CC(C[NH3+])(CO)Cc1n[nH]c(C#N)c1C(=O)[O-],0,GDB ChEMBL
161943,CC(=O)Oc1[n-]cnc(=O)c1NC1=[NH+]CCN1,0,GDB ChEMBL
302586,C#CC1CC2CCCC2(C)C1CC,0,GDB ChEMBL
269329,C#CCOC(=O)C1(O)CC=C(C)C1C=O,0,GDB ChEMBL
277407,CCC1CCCC1C1CC=CC(C)C1,0,GDB ChEMBL
99798,CC[NH2+]C1C=CC([NH2+]C)CC(C)(C)C1O,0,GDB ChEMBL
190429,NC1C2NC(=O)OC12C(=O)NCCO,0,GDB ChEMBL
23499,N=C1NCCc2sc(O)nc2CC(=O)N1,0,GDB ChEMBL
27937,O=C1CC=CC2C=CCCCC2CN1,0,GDB ChEMBL
366899,CCC(CC1CCC2(CCCC2)CC1)C(C)C,1,GDB ChEMBL
204201,CC[NH2+]C(C=O)(CC)CCC#N,0,GDB ChEMBL
363011,NC(=O)C1OC1C([NH3+])C1CC1CO,0,GDB ChEMBL
13880,CCCCCC1(C2CC(=NO)CC[NH2+]2)CO1,0,GDB ChEMBL
33275,[NH3+]C1COC(C([NH3+])C(O)C(=O)[O-])C1O,0,GDB ChEMBL
130605,C[NH2+]C1CCC2CC(C)(C=O)C(C)C2C1O,0,GDB ChEMBL
117458,CCC1(CC)CCC(C)(COC)C(C)C1(C)O,0,GDB ChEMBL
280850,O=C([O-])CCN1C(=O)CC2CN2C1=O,0,GDB ChEMBL
312503,OC1CCC2C3CC[NH2+]CC(O3)C12,0,GDB ChEMBL
215887,C#CCC(CCC(C)C)[NH+]=C(C)NC(C)(C)C,0,GDB ChEMBL
345793,[NH3+]CCC(CCCO)C(O)C[NH3+],0,GDB ChEMBL
233958,O=C1CC(O)(C2CC2)CC(=O)C2NC12,0,GDB ChEMBL
259121,CCCc1cc(F)cc2c1C=CCC2,1,GDB ChEMBL
179336,CC(C)(C#N)C[NH2+]CCCCCC1CC1,0,GDB ChEMBL
221336,CC1CCNC(=[NH2+])N1CCN,0,GDB ChEMBL
389488,NC(=O)NC(=O)c1c[nH]c(=O)c(Cl)c1[O-],0,GDB ChEMBL
124855,C[NH2+]C1C(O)C(C)OC1S(N)(=O)=O,0,GDB ChEMBL
33560,COC1OC(CO)C2(O)C(C[NH3+])NC(=O)C12N,0,GDB ChEMBL
101520,C#CC[NH2+]CC1C(=O)CC(=O)OC2CN1C2,0,GDB ChEMBL
239093,CC1(Cc2ccc(I)cc2)CCC2CC21,1,GDB ChEMBL
304653,CC(C)CCCC12CC3C(C1)C3C2,0,GDB ChEMBL
61251,N#CCC1NCC[NH2+]CC1NC1CC(O)C1,0,GDB ChEMBL
361144,CCC1OC(Nc2ncns2)=N[C-](C#N)C1=O,0,GDB ChEMBL
201035,CC[NH+]1CC(C)CC2(C1)C1CC(C)C2C1,0,GDB ChEMBL
150506,C#CC([NH2+]C1(CC(=O)[O-])CC1)C(C)(C)O,0,GDB ChEMBL
195368,CNc1cc2cccnc2c(=O)n1C,1,GDB ChEMBL
123033,C#CCC1(C)CCCCCC(C)C(CC[NH3+])C1,0,GDB ChEMBL
104421,CNC1C([NH3+])CC2NC1C(C(N)=O)OC2=O,0,GDB ChEMBL
259697,CC1(CO)CC=CC(=O)N2CC2C1O,0,GDB ChEMBL
153247,CC1CC(C#N)(CO)NC1C,0,GDB ChEMBL
367784,COCC(O)(C[NH3+])C1OCC2CC1[NH+](C)C2C,0,GDB ChEMBL
34760,[NH3+]C12C(C(=O)[O-])NC(=O)N3CCC1(O)C32,0,GDB ChEMBL
268172,NC(=[NH2+])N1CC1C(N)C(O)C(=O)[O-],0,GDB ChEMBL
338965,C#Cc1nc(I)c(CCCCC)cc1O,1,GDB ChEMBL
215373,COCc1cc(C)cc(C(C)=O)cc[nH]c1C,0,GDB ChEMBL
47565,C#CC(OC)C(=NCCO)NC,0,GDB ChEMBL
314925,CC1CCC2(CC1)CN(C)C(=O)NCCC[NH2+]2,0,GDB ChEMBL
274621,CC(C[NH3+])C1CC(NC=[NH2+])C[NH+]1C,0,GDB ChEMBL
384800,C#CC(C)N1CCCC(C#C)[NH+](CC)CC1C,0,GDB ChEMBL
359101,Cc1nc(=N)cc(OCC[NH3+])c(O)c1[O-],0,GDB ChEMBL
49101,CCc1c(F)cc2c(c1F)C(=[NH2+])NC2C(C)O,0,GDB ChEMBL
200700,C#CCCC1(CC)CC1C#N,1,GDB ChEMBL
345824,C#CCCCC(C)CC(C)C1CCC1,1,GDB ChEMBL
24748,Cc1nc(N)n(CCC[NH3+])n1,1,GDB ChEMBL
222050,C#CC(=CC(N)=O)C(C)(C)CCO,0,GDB ChEMBL
62044,CC(C)C1OC(CC#N)C(C)CCC1CO,0,GDB ChEMBL
366014,CCC1CCC2OCCC12,1,GDB ChEMBL
275696,CCCc1cn(CCC(C)(C)CCC)cc1C,1,GDB ChEMBL
317700,CC1CCC1C(C)OC(N)=O,1,GDB ChEMBL
366553,C=Cc1c(C)cccc1C(=C)C[NH3+],0,GDB ChEMBL
54124,CC(O)(C#N)C(=O)CC(O)CO,1,GDB ChEMBL
47661,CNC(=O)c1c(N)cc2c(c1C)C[NH+]=CNC2,0,GDB ChEMBL
359092,CC#CC1(C#CC)CCC(CC(C)CC)C1,0,GDB ChEMBL
387289,CCCC1OCCC(C)=CC1(C)CC,0,GDB ChEMBL
156522,CC12OC1C(O)C(CO)NC2C[NH3+],0,GDB ChEMBL
190084,N#CC1NCC(CO)C(O)C1O,0,GDB ChEMBL
100711,NC(=O)NC1CC(O)C(O)C1(CCO)C(N)=O,0,GDB ChEMBL
380603,C#CCCCC(C[NH3+])(C[NH3+])CC#CC,0,GDB ChEMBL
383089,CNc1sc(C[NH3+])cc1S(N)(=O)=O,0,GDB ChEMBL
156530,CC(CCCO)OCC[NH3+],0,GDB ChEMBL
157404,CCC1CCC1(C)OCC(N)=O,1,GDB ChEMBL
13885,CC1Cc2cc(I)cc3c2C(CC[NH2+]1)CN3C,0,GDB ChEMBL
361644,C[NH2+]C1C(CC#N)OC1CCCO,0,GDB ChEMBL
234486,COC(=O)Cc1occc1C(=O)CO,1,GDB ChEMBL
360840,CC[NH2+]Cc1cnc(C[NH3+])n1C,0,GDB ChEMBL
298951,CCC1=C(C)CNC(=O)N1,1,GDB ChEMBL
120834,CCNS(=O)(=O)CC([NH3+])CC(N)=O,1,GDB ChEMBL
324320,[NH3+]C1CS(=O)(=O)[N-]C(=O)COCC1CO,0,GDB ChEMBL
322828,CC1CCC2CC3CC4CCCC(C4)C3[NH+]2C1,0,GDB ChEMBL
271553,COC(CO)C(N)C(N)C([NH3+])CO,0,GDB ChEMBL
94639,C[NH+]1CC(C[NH3+])C(C(C)(O)C2COCC[NH2+]2)C1,0,GDB ChEMBL
378277,CC1C2C3CC=CC2[NH+](C)C1CC3,0,GDB ChEMBL
257548,CC(=O)N(C(=N)N)c1ncncc1[O-],0,GDB ChEMBL
203600,CC(C)c1ccn(C(C)C(F)(F)F)c1,1,GDB ChEMBL
7381,C#CC[NH2+]C1(C(C)C2CC2)CCOC1,0,GDB ChEMBL
287052,CCC1C(C(C)C)CC2(C)C3CCC(C3C)C12,0,GDB ChEMBL
76998,CC(C)C(=CC[NH3+])C1COCC[NH2+]1,0,GDB ChEMBL
163371,CC1NC(=O)C2C3OC3C3CC(CO)C1N32,0,GDB ChEMBL
99408,CC1CC(C)C2(O)C(C1)C2c1cnccn1,0,GDB ChEMBL
358605,COC1CC2[NH2+]CC1CC2(C)C(C)[NH3+],0,GDB ChEMBL
294186,CC1CN2CC(C2)O1,1,GDB ChEMBL
114370,C#CC[NH+]1CC(C(C)O)C1,0,GDB ChEMBL
228431,CC[NH2+]C1C(CC)CC2CCC3C2C31,0,GDB ChEMBL
388445,CC(C)C1CCCn2cc3c(c21)CCOCC3,0,GDB ChEMBL
305573,C[NH2+]CC(C(O)C(=O)[O-])C(O)C1CO1,0,GDB ChEMBL
387220,N#CC1CC(=O)N(c2nonc2NCC[NH3+])C1,0,GDB ChEMBL
190132,[NH3+]CC(=O)Nc1ccncn1,1,GDB ChEMBL
93732,CC(C)C(=O)CN(C)CC1OC1(C)C,1,GDB ChEMBL
251840,CC1CC2CC1COC2C1(O)CCC[NH2+]C1C,0,GDB ChEMBL
251897,OCCNC1(C(F)(F)F)CC1,1,GDB ChEMBL
104706,Cc1ccc2c(c1Cl)CC13C=CCC1C3C2,0,GDB ChEMBL
398180,C#CC(c1cc(F)c(C)cc1CC)C(C)(C)[NH3+],0,GDB ChEMBL
288925,C=C1COC(C(O)CCO)C1CC,0,GDB ChEMBL
344402,CC1C(=O)NC(C#N)=CC(N)C(=O)N1C,0,GDB ChEMBL
81430,C#Cc1cccc(CC(C#N)C[NH3+])n1,0,GDB ChEMBL
249812,C#CC1CC(C)CC(C)(C)N(C(=O)C(C)[NH3+])C1,0,GDB ChEMBL
281632,N#CCC1C(C=O)N1C(=O)NC(N)=[NH2+],0,GDB ChEMBL
116590,N#CCC1CC(O)C(O)CC(=O)O1,1,GDB ChEMBL
173184,CCCCN1Cc2ccoc2C(=O)C1C[NH2+]C,0,GDB ChEMBL
33111,C#CC12CCOC1(CCCC)CC(CC)[NH+]2C,0,GDB ChEMBL
398197,CC1OC(C)C1(C#N)C[NH3+],0,GDB ChEMBL
316146,COCCC1C[NH2+]CC2CN(C=[NH+]1)C2,0,GDB ChEMBL
94608,CCOc1ccc(C#N)nc1,1,GDB ChEMBL
288557,CC#CC[NH+]1CCC(CC(C)(C)C)CC1,0,GDB ChEMBL
385494,C#CC1=CC2C(CO)C3CCCC3C2(C)C1,0,GDB ChEMBL
236652,CC1=CCC2C(C)CCC12CC1CC1,0,GDB ChEMBL
118443,CCC1CCCC(C(C)C)CCC(C)(C)C1C,0,GDB ChEMBL
153256,CC1CC(C#N)[N-]C(=O)NC(=O)N1,0,GDB ChEMBL
170241,N=C1OC(C[NH3+])OC1CC(=O)[O-],0,GDB ChEMBL
77391,NC(=O)C1[NH2+]C(CO)C(CO)C1N,0,GDB ChEMBL
142334,CCCCC1CCC2(C)C1CC1CCC(C)C12,0,GDB ChEMBL
104695,C[NH+]1C2Cc3cc(Br)ccc3CC(C2)C1(C)C,0,GDB ChEMBL
132513,CCC(CC[NH3+])CCCOC1(C)C[NH2+]CC1C,0,GDB ChEMBL
115621,CCCCC1CC2CC1(C)C(C)C2(C)C,0,GDB ChEMBL
77004,CCC(C)CC1CCC(C)[NH2+]1,0,GDB ChEMBL
39949,C[NH2+]C(C)CN(C)C(=[NH2+])NC1(C)CC1C,0,GDB ChEMBL
344311,CC1=CCC(C)(CCC(F)(F)F)CC=C1,1,GDB ChEMBL
288115,COC1CC(C)C(C)OC1C(C)[NH2+]CC(C)C,0,GDB ChEMBL
274874,CC1C(C(F)(F)F)C[NH+]2CCC1(C)C2C,0,GDB ChEMBL
391275,CCC(=O)N(c1cc(C)cn1C)C(C=O)CC,0,GDB ChEMBL
195186,CC#CC(C)C1(C)CC=CCCCCC1C,0,GDB ChEMBL
343270,O=CNc1nsc(NCCCc2c[nH]cn2)n1,1,GDB ChEMBL
201342,CCOC1C(C[NH3+])C1NS(C)(=O)=O,0,GDB ChEMBL
252860,C#CC([NH3+])C(O)CN(CC#N)C(C)C([NH3+])CC,0,GDB ChEMBL
207382,OCC1C2CCCOC2C2CN12,0,GDB ChEMBL
368159,CCCc1coc(CC(C)(C)C[NH3+])c1C,0,GDB ChEMBL
119454,CC1(N)C2NC(=N)OC(CNC2=O)C(O)C1[NH3+],0,GDB ChEMBL
25203,COCC[NH+]1CC2CC1(C(=O)[O-])C2O,0,GDB ChEMBL
380613,CNC(=O)c1ncnn1CC#N,1,GDB ChEMBL
384263,Cc1cc(F)cc2c1CC1CC2C1C,0,GDB ChEMBL
288977,CC1CC2(C(N)=O)CC[NH2+]C2C(=O)N1,0,GDB ChEMBL
109160,C#CCC1COC(CO)C(C)C(O)CC(N)=[NH+]1,0,GDB ChEMBL
300248,NS(=O)(=O)OC1CC2NC(=O)C(O)C21,0,GDB ChEMBL
330517,CCCC(CN1C(=[NH+]C)OCCC1C)C(N)=O,0,GDB ChEMBL
76735,CCc1nc(CCC2(O)CC2)c(C)o1,1,GDB ChEMBL
249440,C#CCNc1cc(Br)c(CC)c(CC)c1CC,1,GDB ChEMBL
203296,CC#CC(C)c1cccc(C)c1,1,GDB ChEMBL
305120,CC12C(O)C(O)CC1N2CC(N)=O,0,GDB ChEMBL
345726,[NH3+]CC1OC(=O)C(CO)CN2C(C(=O)[O-])C12,0,GDB ChEMBL
265287,CN(C)c1ncc(Cl)c(O)n1,1,GDB ChEMBL
331452,CC1CC[NH2+]C(CS(N)(=O)=O)CN(C)C=[NH+]C1,0,GDB ChEMBL
313727,COCC1C(O)C2C[NH+]1C1(CCC1)C2,0,GDB ChEMBL
388401,C#CC(N=C(CN(C)C(N)=[NH2+])NC)C(C)=O,0,GDB ChEMBL
92871,CC1C[NH+](C)C(C)C2C(O)C2N1,0,GDB ChEMBL
70090,CCc1ncc(OC)c(C)cc(CC)c(C)o1,0,GDB ChEMBL
144498,C#Cc1cc(C(C)C(C)C)cc(C)c1C,1,GDB ChEMBL
320267,CC(=O)N1CC(C(C)(C)[NH+](C)C)C1,0,GDB ChEMBL
189895,CC1CC(=O)C2C=CCCCOC12,0,GDB ChEMBL
305808,Cc1nc(CCC[NH3+])n(CCC(F)(F)F)n1,0,GDB ChEMBL
174834,CCC[NH2+]CCCC1CC2(C)CCCC1CC2,0,GDB ChEMBL
319791,O=C1CC2CCC3OC23C=CCN1,0,GDB ChEMBL
18798,Cn1nc(O)c(C#N)c1NC(N)=[NH2+],0,GDB ChEMBL
290555,CCCC1CCNS(=O)(=O)OCC[NH2+]C1,0,GDB ChEMBL
263437,CNC1C(C)=CCC1[NH2+]C(C)(C)CO,0,GDB ChEMBL
190398,Cc1cc(C)nc(=O)c(C(CO)CC(C)C)c1,0,GDB ChEMBL
34884,C#CC1[NH2+]C2CCC1CC2O,0,GDB ChEMBL
43526,C[NH+]1CC=C(S(N)(=O)=O)C(CO)CC1,0,GDB ChEMBL
34810,CC1=CCCC=CC(=O)OCC1CO,0,GDB ChEMBL
117368,O=C([O-])Cc1cncc(Br)c1O,1,GDB ChEMBL
60983,C1=C2CC(CC3CCC2CC3)[NH2+]C1,0,GDB ChEMBL
40436,N#CCCc1nc(N)sc1C(O)C(N)C(N)=[NH2+],0,GDB ChEMBL
313361,CC[NH+](CCC(C)C)C(C)(CC)C(C)CO,0,GDB ChEMBL
189770,CCC1C(C(=O)[O-])CC2CC(O)C21,0,GDB ChEMBL
323935,C[NH2+]C1C2CCC3C2OC(=O)C31,1,GDB ChEMBL
53855,C[NH2+]C1CCS(=O)(=O)C2C(O)C(O)C2NC1=O,0,GDB ChEMBL
259414,CCC12CC1CCC(C)NC2=O,1,GDB ChEMBL
307563,CCC1(CC)CC[NH2+]CCC1C,0,GDB ChEMBL
77351,CNC(=O)C(C[NH3+])Cc1nsc(N)n1,0,GDB ChEMBL
44587,CC(=[NH2+])NCCCN=C(N)N(C)C=O,0,GDB ChEMBL
252080,CN1CC2CS(=O)(=O)NC23COC(CO)C13,0,GDB ChEMBL
224030,CC(C)c1cc(C(C)C)n(C)c1,1,GDB ChEMBL
171903,[NH3+]C1CCN2CC2C(=O)NCC1O,0,GDB ChEMBL
230211,CC[NH+]=CNC(C)CCO,0,GDB ChEMBL
841,O=C1COCCNS(=O)(=O)C(=O)N1,0,GDB ChEMBL
17070,CC1CC(O)C2(C[NH2+]1)CC2[NH3+],0,GDB ChEMBL
265289,C#CC1(CO)CCC[NH2+]1,1,GDB ChEMBL
28202,CC1CCC#CCCCC=C1CO,1,GDB ChEMBL
248877,NC(=[NH2+])NC(=O)N1CC1C(O)C[NH3+],0,GDB ChEMBL
177215,COC(C)(C)Cc1cc(C[NH3+])c(C)cc1C,1,GDB ChEMBL
34721,[NH3+]CC1C([NH3+])C(O)CC(C(=O)[O-])C1O,0,GDB ChEMBL
251892,CCCCC1[NH+]2CCC12C,0,GDB ChEMBL
251414,COCC1CC2(C[NH+]=C(N)N2)C1,0,GDB ChEMBL
252313,C[NH2+]CC(C)CC1(C)NC(=O)C2(C)C(O)C12,0,GDB ChEMBL
368412,COCC(C)(C)C([NH3+])C1OC(=O)C2(CC2)O1,1,GDB ChEMBL
369898,Cc1csc(C2CCCC2)n1,1,GDB ChEMBL
47677,C[NH+]=C1NC(C)C(O)(CCCO)CO1,0,GDB ChEMBL
126837,CC[NH+]1C2CCC1C(C)(CC)C2C(C)C,0,GDB ChEMBL
184106,Cc1c(O)c(S(N)(=O)=O)nc(=O)n1CC[NH3+],0,GDB ChEMBL
393970,NC(=[NH2+])C1CC(CO)NC(=O)N1,0,GDB ChEMBL
109536,C#CCOC(N)=NCC[NH2+]C,0,GDB ChEMBL
173162,CC1CC2(O)CC1[NH+](C)C2,0,GDB ChEMBL
120537,CCc1c(C)c(NC)[nH+]c(C)c1C(C)C(C)C,0,GDB ChEMBL
253604,CNC(N)=[NH+]CCC(C)(N)C1[NH2+]CCC1CO,0,GDB ChEMBL
121135,CC1CCC2=CC1C[NH2+]C(C)C(C)C2,0,GDB ChEMBL
79250,CC1[NH+](C)CC1(O)CC[NH3+],0,GDB ChEMBL
3002,CC1[NH+](C)C2CC3CCC1(C2)C3O,0,GDB ChEMBL
221150,CC(CCC(O)CO)C1[NH+]=CN(C)C1(C)C,0,GDB ChEMBL
94596,CCC1C(=O)C(O)C(C)CC1C(C)CC(C)C,0,GDB ChEMBL
136572,COCc1ncc(I)cc1CO,1,GDB ChEMBL
195350,COC(C)C(C)C1CCOC1=N,0,GDB ChEMBL
151074,CC1(C)CCC(CC#N)CC([NH3+])CCOC1,0,GDB ChEMBL
46926,CCCC1C2C[NH+](C)C3C(N1C)C23O,0,GDB ChEMBL
294487,CCC(CC1=CCCC(O)C1)C(C)(C)C,1,GDB ChEMBL
124236,CC1C(O)COC(=O)N(C)C1C,1,GDB ChEMBL
391825,CCCCc1c(NC)cc2c(c1Cl)CN(C)C2,1,GDB ChEMBL
331156,CN1CC([NH3+])C2OCC2C1=O,0,GDB ChEMBL
338616,N#CC12CC(CC([NH3+])C(=O)[O-])(CN1)OC2=N,0,GDB ChEMBL
300734,COCCc1nc(C)cc(C=O)c1O,1,GDB ChEMBL
196767,CCC(OC)(C(N)=[NH2+])C1CC1,0,GDB ChEMBL
375524,CCC12CCCC(C)(CCC1)CC2C,0,GDB ChEMBL
4813,[NH3+]CCc1csc(CCCO)n1,0,GDB ChEMBL
92346,C#CC1(NC(N)=O)CC1,1,GDB ChEMBL
21995,C[NH+]=CN(CCCCO)C(C)C#N,0,GDB ChEMBL
325727,CC(=O)N1CCC23CC2C(C)=CC13,0,GDB ChEMBL
391727,CCCc1cnccc1C(=O)NC,1,GDB ChEMBL
51820,Cc1c(Cl)cc2c3c1CCN3CC2,1,GDB ChEMBL
173672,CCC1CCC2OCC[NH2+]C1C2C=O,0,GDB ChEMBL
296385,CC(O)C([NH3+])C1=CCCC1,0,GDB ChEMBL
346537,CC([NH3+])C1C(O)CCOCC1[NH+](C)C,0,GDB ChEMBL
259665,COCC(O)COC(C)C1CC1,1,GDB ChEMBL
185322,O=COc1cnc(O)cc1C(=O)[O-],0,GDB ChEMBL
89686,C1CCC2(CCCOC1)CC2,1,GDB ChEMBL
150130,N#CC1CC=CCN1,1,GDB ChEMBL
240450,CC1=CC2CC(C[NH3+])(OC1)C(=O)N2,0,GDB ChEMBL
1103,CCOC(CO)(CC#N)CC(C)(C[NH3+])OC,0,GDB ChEMBL
144527,CC(C#N)C1(C[NH3+])CC2CCCCC1C([NH3+])C2,0,GDB ChEMBL
30356,C[NH+]1CCCOCC2(CC2)C1,0,GDB ChEMBL
122966,CC1C(O)CCC1C([NH3+])CC(C)(C)C,0,GDB ChEMBL
354126,C[NH2+]CC1CC2(C1)CC2C[NH3+],0,GDB ChEMBL
124099,COCC(=O)NC1CC2OC1CC([NH3+])C2O,0,GDB ChEMBL
284278,Cc1cccc2c1C[NH2+]CCC2,0,GDB ChEMBL
132563,NC(=O)C1OC2CNC1CC2O,0,GDB ChEMBL
95209,CC1(O)CCC([NH3+])C1C(=O)NC=N,1,GDB ChEMBL
312524,COC1(C(=O)[O-])C2C(O)C(=O)NC21CO,0,GDB ChEMBL
287344,CN(C(N)=O)C(=O)NC(=O)CN,1,GDB ChEMBL
353976,C[NH2+]C1COc2c(cccc2OC(C)(C)C)C1,0,GDB ChEMBL
236556,CCCC1CCOCC(CC=O)C1,0,GDB ChEMBL
198846,CN(C)C(C#N)CC(O)C=O,1,GDB ChEMBL
110233,O=C([O-])CC1CCNC(=O)O1,1,GDB ChEMBL
386486,C#CCC1CC2C[NH2+]CC[NH2+]C(C=C1C)C2,0,GDB ChEMBL
209704,COCCC(=O)OCC1[NH2+]CCC1(C)C,0,GDB ChEMBL
75841,CC1(C(CO)C([NH3+])C(N)=O)OC1C(O)CO,0,GDB ChEMBL
372176,Cc1nc(Cl)ccc1CC1(C(C)(C)[NH3+])CC1,0,GDB ChEMBL
144515,Cc1c(N)[nH+]cc2c1N1CC(C2)C1,0,GDB ChEMBL
318369,C#CC(O)C(C#N)C(C)(C)CCOC,1,GDB ChEMBL
204501,CCC1CCc2ccc(N)cc21,1,GDB ChEMBL
201420,COC(CO)C[NH+]1C2CC2CC2CC21,0,GDB ChEMBL
99813,CC1C=C(C(C)(C)C)N2C(=O)C([NH3+])CC12,0,GDB ChEMBL
203815,COCC1CCCC1(O)C(=O)[C-](C#N)CC=O,0,GDB ChEMBL
351374,CC1=CC2=CCCC(C)CC2C(C[NH3+])CC1,0,GDB ChEMBL
340111,COC1C(=[NH2+])NC(C=O)C1C(=O)[O-],0,GDB ChEMBL
332411,NC(=O)C12NCCOCC1C(=O)CC(O)C2=O,0,GDB ChEMBL
33228,C[NH2+]CC1NS(=O)(=O)CC(N(C)C(C)=[NH2+])C1O,0,GDB ChEMBL
347032,CCC(C)(C)C(CC(C)C)C1=CCCC1,0,GDB ChEMBL
182871,CCCC12C(=O)CCCC1C2O,1,GDB ChEMBL
204688,CCC1(CO)CN1C1CC1,1,GDB ChEMBL
183492,CCc1c(Br)cc(NC)n2cnc(O)c12,0,GDB ChEMBL
292947,C#CC(C#C)C1(C#N)CC[NH2+]C1,0,GDB ChEMBL
62039,CCCC(CC#CCC(C)C)C(C)(C)C#N,0,GDB ChEMBL
44960,CCCC(C)C1CC1(C)C1CCC(O)C1,0,GDB ChEMBL
185942,C=C1C([NH2+]CCC[NH3+])CC1OCC,0,GDB ChEMBL
197473,C=CC1(C)C[NH2+]C2C(O)CC1C2C,0,GDB ChEMBL
35738,CCOc1c(N)c(C[NH3+])nc(C2CC2)c1F,0,GDB ChEMBL
208455,CCC12CCC(C(NC(=O)C(=O)[O-])=NC1)C2[NH3+],0,GDB ChEMBL
132537,C#CC1(O)CC(CCC(=O)OC)=CC(O)C1,0,GDB ChEMBL
83091,CC(O)C1C(O)CC(=O)N1Cc1nc(O)c[nH]1,0,GDB ChEMBL
227600,CCc1cc(C)n(C[c-]2ccc(=O)o2)c1,0,GDB ChEMBL
239391,N#Cc1cnc(N)nn1,1,GDB ChEMBL
197234,O=CC1(C=O)OCC(=O)NC1C(=O)[O-],0,GDB ChEMBL
394888,C[NH2+]C(C(C)=O)C(O)C(O)CC=O,0,GDB ChEMBL
267948,C#Cc1cc(C)c(C#C)c(Cl)c1C(C)CO,1,GDB ChEMBL
218844,CC1CC[NH2+]C2CC(C#N)CC12,0,GDB ChEMBL
2362,CCCCCCOCC1CC1,1,GDB ChEMBL
9686,C#CC(CC#N)C(C)C(C)(C)C(=O)[O-],0,GDB ChEMBL
338327,Cc1c(I)cc(C(C)(C)C)c(C)c1C1CC1,1,GDB ChEMBL
330953,NC(=O)C1(C(=O)[O-])COc2nsnc2C1,0,GDB ChEMBL
89083,CCC(C)(CC)C([NH3+])CC1(O)CCC(C)CC1,0,GDB ChEMBL
24038,CCOC(=O)C(C([NH3+])CO)C1(O)CC=CC1,0,GDB ChEMBL
118859,CC1CCCC2OC(C(F)(F)F)C12,1,GDB ChEMBL
181173,CC12C[NH2+]C(CN1C(N)=[NH2+])C2,0,GDB ChEMBL
183458,CCC(C=O)(C[NH2+]C1(C)COC1)OC(C)C,0,GDB ChEMBL
217690,Fc1ccc2c3c1CCC3C=CC2,1,GDB ChEMBL
311310,CC(C(N)=O)N1C(=O)COC2CCOC(=N)C21,0,GDB ChEMBL
194497,CC1=C(C)C(c2ccccc2Cl)CC1,1,GDB ChEMBL
113568,NC(=[NH2+])C(CCCO)NC=O,0,GDB ChEMBL
206953,CC(C[NH3+])NC1C([NH3+])CC(C)(O)C1C#N,0,GDB ChEMBL
374210,CC1C(O)C1(O)C(O)C(CC[NH3+])NC(N)=[NH2+],0,GDB ChEMBL
153221,C#Cc1cc(I)ccc1C(CC)CC(C)(C)C,1,GDB ChEMBL
77813,NC(=[NH2+])C1COCC([NH3+])CCCN1,0,GDB ChEMBL
274137,C[NH2+]CC1(C)OC2OC(=O)C1C(O)C2O,0,GDB ChEMBL
143179,CC(C)([NH3+])C(O)CC(=N)Nc1nccs1,0,GDB ChEMBL
271129,CCc1ccnc(CC)c1,1,GDB ChEMBL
304398,CCC1C2COC(=O)CC12,1,GDB ChEMBL
345763,COCCNC(=CC(=O)[O-])C(=O)[O-],1,GDB ChEMBL
112806,C#CC1C(O)C2CC3OCC[NH+]2C31,0,GDB ChEMBL
398845,C#CC1CC(C)[NH2+]CCCC1CCC(C)CC,0,GDB ChEMBL
305550,CCC(=O)CCC(C)(C)[NH+](CC)C1CC1,0,GDB ChEMBL
162888,NC(=O)CC(N)C1=NCC(=O)O1,1,GDB ChEMBL
318379,COC1C([NH3+])C(C)C2CCC(CO)C[NH+](C)C21,0,GDB ChEMBL
273702,NC(=[NH2+])CNC(=O)NC1CC(O)C(C(=O)[O-])C1,0,GDB ChEMBL
249612,C[NH+]1Cc2cc(F)ccc2C2(C)CC2C1,0,GDB ChEMBL
259412,C[NH2+]C(CC1NC(=[NH2+])CC1C(C)C)C(N)C[NH3+],0,GDB ChEMBL
201703,CCc1c(C)ccc(CCC(C)C=O)c1Br,1,GDB ChEMBL
345496,CC1CCC(C)(C2[NH2+]Cc3cccc(Br)c32)C1,0,GDB ChEMBL
249458,N=CN1CC(=NO)CC(O)C[NH2+]CCC1=O,0,GDB ChEMBL
359175,C#CC1C(C)[NH2+]C2(CCOCC2)CN1C,0,GDB ChEMBL
335496,CC(O)C1C(CCNC(N)=[NH2+])N1CCC=O,0,GDB ChEMBL
293793,CCC([NH3+])C1OC1C(C[NH3+])OC,0,GDB ChEMBL
392248,CCCCC1C2CC3CC(=O)C12O3,0,GDB ChEMBL
360835,[NH3+]CCC1C2CC(O)C13COC2C3,0,GDB ChEMBL
339248,C[NH2+]C1(c2ccc(C)c(Cl)c2C)CCC1,0,GDB ChEMBL
333907,C[NH2+]CCCC#CCC(C)(C)OC1CC1,0,GDB ChEMBL
76954,CCCC(=O)NC1=NC2CC(C)C(CO1)C2[NH3+],0,GDB ChEMBL
244447,CCC1CC(O)C2[NH+]=CNC12,0,GDB ChEMBL
284390,NC(=O)C1(O)C2NC(=[NH2+])NCC21C(=O)[O-],0,GDB ChEMBL
235646,CCOc1cccc(O)c1F,1,GDB ChEMBL
223971,CC1CCNC(C#N)C(C(O)COC(N)=[NH2+])N1,0,GDB ChEMBL
379701,CC1=C2CC[NH2+]C2C(=O)N(C)CC1,0,GDB ChEMBL
391289,CC(C)C(C)(CCOCC#N)[NH2+]CC(C)(C)C,0,GDB ChEMBL
177251,CS(=O)(=O)NCCC[NH2+]CC(=O)CO,0,GDB ChEMBL
105959,CC1=CCNC(=O)C1C(C)C,1,GDB ChEMBL
81478,C#CC[NH+](CCC(C)(N)C(=[NH2+])NC)C(C)(C)C,0,GDB ChEMBL
177126,C#CC12c3cccc(Cl)c3CCCC1N2C,0,GDB ChEMBL
285551,CCCC(C)OCC1(O)C([NH3+])C1OC,0,GDB ChEMBL
48192,NCC(=O)OC1C2C=CC1C2,0,GDB ChEMBL
125608,C#Cc1c(Cl)ccc2c1CCC=CC1CC21,1,GDB ChEMBL
23507,C[NH2+]CC(C)N(C(N)=O)C1=CCCOC1=O,0,GDB ChEMBL
372072,N#CC1C(=O)OC1CCO,1,GDB ChEMBL
71654,CC#CC1NC1C1CCCC(C)C1,0,GDB ChEMBL
29768,C#CC1CCC(C)C2C(O)CCCC12,0,GDB ChEMBL
296077,CN1CCCC[NH2+]CCC(NCC#N)C(=O)C1,0,GDB ChEMBL
67812,C[NH+]1CCCCC1CC=O,1,GDB ChEMBL
337405,COC(C)CCC(C)c1cnoc1,1,GDB ChEMBL
45668,CCOC(CC(O)CC)C(N)=[NH2+],0,GDB ChEMBL
271374,CC(C)C(C[NH3+])CNC(=O)C(=N)OCCCO,0,GDB ChEMBL
355385,CN(CCOS(N)(=O)=O)C1COCC1[NH3+],1,GDB ChEMBL
21858,CCCC(=O)C1(C(O)(CC)CC)CC1,1,GDB ChEMBL
361803,CN1C(=O)CCC2(C)C([NH3+])CC12,0,GDB ChEMBL
348579,CN1C2C(CC(=O)[O-])CC[NH+]=C(N)C21C,0,GDB ChEMBL
42300,CCC(C)OCC1(O)CC(C)C(C)C1C[NH3+],0,GDB ChEMBL
132327,CC1(CO)C[NH2+]C2CC2NC(=O)C1N,0,GDB ChEMBL
16544,COC1(CCC(C)CCC(C)C)CC1,1,GDB ChEMBL
313376,CCCC(O)C(CC#N)OC(=N)NCC(N)=O,0,GDB ChEMBL
98536,C#Cc1cc2occc2c2c(Cl)cccc12,1,GDB ChEMBL
72403,CC1(CS(N)(=O)=O)C2C[NH2+]C(CO)C1O2,0,GDB ChEMBL
302600,NCC[NH2+]CC12CNC(=O)CC1CC(O)CO2,0,GDB ChEMBL
214052,OCC(O)c1c(O)c2c(c3c1OCO3)OCC2,1,GDB ChEMBL
281198,CC[NH2+]C(C)C(C)OC,1,GDB ChEMBL
149948,NS(=O)(=O)CCC12CC1C1C(=O)NC2C1O,0,GDB ChEMBL
380607,CC(=O)c1ccc2c(C)c(Br)ccc2c1,1,GDB ChEMBL
132174,C[NH2+]CC(O)C1OC(=O)C1S(C)(=O)=O,0,GDB ChEMBL
379854,COC(=O)N(C=O)C(=O)C(C)OC=O,1,GDB ChEMBL
372737,CCC(C([NH3+])CO)C(O)c1coc(C)nc1=O,0,GDB ChEMBL
173144,Nc1nonc1CCn1ccnn1,1,GDB ChEMBL
301382,CNC1COC(=O)C(C)([NH+]=C(N)N)C1C(N)=[NH2+],0,GDB ChEMBL
63137,CCC(CC)CN(C)C(=O)C(C)([NH3+])CO,1,GDB ChEMBL
398998,CC[NH2+]C1CCCOC1C(C)C1CO1,0,GDB ChEMBL
298193,CC([NH3+])C(C[NH3+])CCCOCC(C)(C)O,0,GDB ChEMBL
142545,CCC1C(=O)COC12CNC(=O)C2(C)O,0,GDB ChEMBL
288493,CC=C(C)CC([NH3+])CCCC[NH2+]C,0,GDB ChEMBL
178010,N#CC(NC=[NH2+])C(=O)c1nccs1,0,GDB ChEMBL
325690,C=CC1CCCC(CC)C[NH+]2CC12,0,GDB ChEMBL
243911,CC#CC12OC(C[NH3+])CC1C2C[NH2+]C,0,GDB ChEMBL
201366,COC1CC2C3C[NH+](CC13)C2C,0,GDB ChEMBL
374053,C[NH2+]CC1CC([NH3+])(CCC(N)=[NH2+])C(CO)O1,0,GDB ChEMBL
332451,Fc1c(CC2CO2)cc2c(c1F)CCCC2,1,GDB ChEMBL
122986,CCC12COC(C1)C(C)=CC(C)C2,0,GDB ChEMBL
200990,[NH3+]C1CNC(=O)NC(=O)NC1C(=O)[O-],0,GDB ChEMBL
132847,CS(=O)(=O)C1CN1CC(=O)NCC(N)=O,0,GDB ChEMBL
378558,Cc1cc2c(c(C)c1F)CCCC2C1CC1,1,GDB ChEMBL
50258,CNC(C#N)(C=CCC(C)=O)CO,1,GDB ChEMBL
191730,COC1CCC2C(O)CC([NH3+])C12,0,GDB ChEMBL
264033,CCC1CC2(CCc3cc(Br)cc(C)c32)C1,1,GDB ChEMBL
114346,C#CC(O)CCCC1C(C)C1C[NH3+],0,GDB ChEMBL
133029,NC(=[NH2+])CC1(O)CNC(=O)C1N,0,GDB ChEMBL
343987,CC1CCCC(C)C1(O)C1C[NH2+]C1,0,GDB ChEMBL
368405,CC1=CC(O)(C[NH3+])CCCCC1,0,GDB ChEMBL
132185,CCOC(C(C)C)C1(CC)[NH2+]CC(N)C1(C)C,0,GDB ChEMBL
151718,CS(=O)(=O)NC(=N)C(N)(C#N)CC[NH3+],0,GDB ChEMBL
290261,COC(=O)N1CC2CC([NH2+]2)C1=O,0,GDB ChEMBL
127923,CCC1=CCC2CCCC(CCC2)C1,0,GDB ChEMBL
337191,C#CC[NH2+]CCCC1=CCC=CC=C(C)C1,0,GDB ChEMBL
130830,CCC1([NH3+])CCCC(C)[NH2+]C(CC(C)C[NH3+])C1,0,GDB ChEMBL
159733,N=C1Nc2cc(C(=O)[O-])nn2C1CO,0,GDB ChEMBL
260702,CC1CNC(C#N)C(C)C(C)OC1,1,GDB ChEMBL
259396,CCCC(C)C1(C)CCCC(C)(CC)C1CC,0,GDB ChEMBL
249631,COC1C[NH2+]C2C=CC(C)C21,0,GDB ChEMBL
162551,CCC(C(C)C)C1CC(C)C(C)CC1(C)CC,0,GDB ChEMBL
234882,C#CC(C#C)C(C)(OC)C1CCCC1,0,GDB ChEMBL
273459,CC(C)(O)CC(C=O)C1(C(=O)[O-])CC1,0,GDB ChEMBL
351168,CCNS(=O)(=O)C(C)NC(C)CC(N)=O,0,GDB ChEMBL
37272,CC1C[NH+](C)C2CC(CO)CC1(O)C2C,0,GDB ChEMBL
305969,[NH3+]Cc1nnc(Br)c(N2CCC([NH3+])C2)n1,0,GDB ChEMBL
204456,CNS(=O)(=O)c1c(O)c(O)nc(O)c1OC,1,GDB ChEMBL
133950,CCC1CC(CC=O)C(C)CC(C)(O)C(C)[NH2+]1,0,GDB ChEMBL
97748,CCN(CC#N)C(=O)C1CN1,1,GDB ChEMBL
276106,CC1=CCC2CCCC(C2)C2(CC2)C1,0,GDB ChEMBL
61745,C#Cc1cc(CC2(CCCC)CC2)on1,1,GDB ChEMBL
209674,O=Cc1csc2c(Cl)cc(CC3CC3)cc12,1,GDB ChEMBL
247485,CC1=CC=CCC(O)CC(=O)CC1(C)C,0,GDB ChEMBL
225392,O=C([O-])C1[NH2+]C(C2CN2)C2CC12,0,GDB ChEMBL
25249,O=C1NC2C(O)C1C1C2N1CCO,0,GDB ChEMBL
48759,N=C(N)NC(=O)C1CC(=NO)CCC[NH2+]1,0,GDB ChEMBL
186660,CCCC(O)C(C)C(C)C,1,GDB ChEMBL
72436,COC1C2C=CCC(CC=C2)C1(C)C(C)C,0,GDB ChEMBL
204681,NC(=O)N1C2(C(=O)[O-])COC3CNC(=O)C312,0,GDB ChEMBL
21908,CC(C)(C)C1CC=CCC2CC3CC3[NH+]2C1,0,GDB ChEMBL
362393,C#CCNC(C#N)C1(NC)CC1(C)CO,0,GDB ChEMBL
17611,CC(CO)C1OC(=O)NC1C#CCO,0,GDB ChEMBL
259706,[NH3+]C12CCNC1C(=O)OC2,0,GDB ChEMBL
268143,Cn1cc(CCC[NH3+])nn1,0,GDB ChEMBL
132236,CCOCC=C(C=O)C1=CC=CC1,1,GDB ChEMBL
361617,NC(=O)OCCNC(=O)N(C=O)C=O,1,GDB ChEMBL
57302,CN(C)c1nc(C=O)c(N)s1,1,GDB ChEMBL
358300,CCOC1(C)CC2C[NH2+]C3C2C31,0,GDB ChEMBL
72421,CCC1C2CCOC1(C)CCC2C,1,GDB ChEMBL
80239,CC#CC(O)C(=O)N(C)C=O,1,GDB ChEMBL
300574,N#CCN1C(CO)C1CO,1,GDB ChEMBL
198695,CC1CCCC=CC2C=CC1C[NH+]2C,0,GDB ChEMBL
345699,CCC1CCCC2OC(OC)CCC1C2C,0,GDB ChEMBL
189788,N=C(Cn1cnc(C(N)=O)c1)NC(=O)C=O,1,GDB ChEMBL
26569,COC1(CC[NH3+])C(N)C1[NH3+],0,GDB ChEMBL
362990,CC1CC2C(=O)C1CC2(C)C,0,GDB ChEMBL
176510,CC[NH+](C)CC1C(O)C1(O)CC1CC1,0,GDB ChEMBL
226263,CCC1C2[NH+]=C(N)C1(C)C2CC[NH+](C)C,0,GDB ChEMBL
229479,[NH3+]C1C(O)CC(O)(C(=O)[O-])C2C=CC1C2,0,GDB ChEMBL
140868,CCC1CC=C(CC[NH3+])C(C)(C2CC2)CO1,0,GDB ChEMBL
15578,CN(C=O)C1COC1CC[NH3+],0,GDB ChEMBL
5914,C#CC(C)C(C)OCC(=O)[O-],1,GDB ChEMBL
164669,CC(O)C1NCC1(CO)OS(N)(=O)=O,0,GDB ChEMBL
128296,CCCCC(CC)(C1CC[NH+](C)C1)C(C)(C)C,0,GDB ChEMBL
301207,C#CCOc1cc(C)cc(CC)c1F,1,GDB ChEMBL
297022,CC(C[NH2+]CCN)C(C)(C)OC1CC1,0,GDB ChEMBL
392285,CCCC(C)C(C)(CC)CC1CCCC(C)C1,0,GDB ChEMBL
122942,CCc1ccc(CC2CC2)c(F)c1,1,GDB ChEMBL
133035,COC(C(F)(F)F)C1(CCC[NH3+])OCCO1,0,GDB ChEMBL
281685,NC(=O)C(O)C1C[NH2+]C1C(N)=O,0,GDB ChEMBL
102301,CC(O)C([NH3+])(CC(=O)[O-])C(N)=O,0,GDB ChEMBL
263186,NC(=O)NC1C2OC1(C(=O)[O-])CC2[NH3+],0,GDB ChEMBL
121961,CCC([NH+]=C(N)NC)c1ncc(C)o1,0,GDB ChEMBL
148197,C#Cc1cc(Cl)c2c(c1)CCN2C(C)C,1,GDB ChEMBL
210277,Cc1cnc(C)c(C2CCC2C)c1,1,GDB ChEMBL
59166,C[NH2+]CC1OC1S(=O)(=O)NCC1CC1,0,GDB ChEMBL
346874,CCc1cccc(C2C[NH2+]CCCN2)c1Cl,0,GDB ChEMBL
199420,C[NH2+]C1CNC2COC1C(=O)C2,0,GDB ChEMBL
227315,NC(=[NH2+])C(CCO)C1C(=O)NCCOCC1O,0,GDB ChEMBL
391433,CN(C)C(=O)OC(C)(C=O)CO,1,GDB ChEMBL
53654,CC1(O)CC(CCO)N2C3CNC(=O)C321,0,GDB ChEMBL
37155,N=C1CC(C[NH3+])CC([NH3+])CO1,0,GDB ChEMBL
375577,CC(CC(O)CO)CC(C=O)N1CC1,0,GDB ChEMBL
352579,CCCC1CCc2cccc(Cl)c2N1,1,GDB ChEMBL
201141,NC(=O)c1cc(S(N)(=O)=O)cnc1O,1,GDB ChEMBL
280758,[NH3+]CC1NC(=O)NCCCC1[NH3+],0,GDB ChEMBL
129557,CS(=O)(=O)N1C2C(O)C(=O)NC(C(=O)[O-])C21,0,GDB ChEMBL
390126,O=C(Nc1cnsc1)OCCO,1,GDB ChEMBL
313745,CC1C(O)C([NH3+])C(CO)C1([NH3+])C(=O)[O-],0,GDB ChEMBL
334783,C1CC(CC2C[NH+](CC3CC3)C2)C1,0,GDB ChEMBL
5212,CCCC(C)C1CC(C)C(C)CCCC1C,0,GDB ChEMBL
372697,CCCCCC1C2CCC[NH+]1C1C[NH2+]CC2C1,0,GDB ChEMBL
204649,CNc1c(CC[NH3+])ncc2[nH]ccc2c1=O,0,GDB ChEMBL
148855,CC1C[NH2+]CC1(C)C(O)CO,0,GDB ChEMBL
362048,C=CC1C(O)C2C3CCC(C13)[NH+]2C,0,GDB ChEMBL
215293,CC(CO)NC(=O)C(=O)C(C)O,1,GDB ChEMBL
77281,CCC(C)C1(C(N)C#N)CN1,0,GDB ChEMBL
105087,COC1(C#N)C(CO)C(N)C(=O)NC1(C)C,0,GDB ChEMBL
332376,NC(=[NH2+])NC1(C(O)CC=O)COC(=O)C1,0,GDB ChEMBL
204790,CC(C(=O)[O-])C(O)C1NC(=O)C1[NH3+],0,GDB ChEMBL
151768,C#CCC(CC)CC1C=CC(O)COC1,0,GDB ChEMBL
227283,CCCC1CCC(=O)C2CCC(C)(CC)C2C1,0,GDB ChEMBL
174795,CC[NH2+]C(CC#N)CC(C)NCC(=[NH2+])N(C)C,0,GDB ChEMBL
300013,CN1C(C[NH3+])C1(C)C1CC(CO)OC1=O,0,GDB ChEMBL
7762,CC(C)(C)CCC1CC1C[NH3+],0,GDB ChEMBL
379125,C#CC1Cc2cc(F)ccc2CCC1C,1,GDB ChEMBL
209867,CC1C=CC([NH3+])CC2OC(=O)CC12,0,GDB ChEMBL
3011,CC1C2CC3CCC(C)(C2)C1C[NH2+]3,0,GDB ChEMBL
156173,CC(C[NH3+])(NCC[NH3+])C(=O)[O-],1,GDB ChEMBL
34368,CCC1OC(=O)C2(C)CC2C1COC,0,GDB ChEMBL
274035,COCC(OS(N)(=O)=O)C1C(N)C1[NH3+],0,GDB ChEMBL
201168,CCC(O)(C#N)CCC[NH3+],0,GDB ChEMBL
214920,COC1CC2CC1n1cc(N)cc1C2CO,0,GDB ChEMBL
382508,CCc1ccc2c(c1C)CCN1CC1C2=O,1,GDB ChEMBL
112861,CC(C)c1cc(I)cc(C(C)(C)O)c1,1,GDB ChEMBL
304143,CCCC1(C)C=C(C(O)CC)C(C)C1,0,GDB ChEMBL
95198,CNC(=O)C12CC[NH2+]C1C(C)([NH3+])CC2COC,0,GDB ChEMBL
339230,C#CCC1CCCC2C3CCC3C(CC)C12,0,GDB ChEMBL
244491,CC[NH+]1CC(C)C(C2=CC=CC2)C1,0,GDB ChEMBL
51377,CCOC12CC(=O)C[NH2+]CCCC1OC2=O,0,GDB ChEMBL
264945,C#CCCC1(C)CCCC(CC(C)(C)C)C1C,0,GDB ChEMBL
246797,CC(C)CCCCC1C(C)CC(C)(C)CC1C,1,GDB ChEMBL
99549,C#CC(O)C(C(N)=[NH2+])C(=O)C(C#N)(CC)CO,0,GDB ChEMBL
54055,CC(CCO)C1NC(=O)C2CC21,0,GDB ChEMBL
40298,CCCC(=O)C1(C(=O)OC)CCCC1(C)CC,1,GDB ChEMBL
209858,COC1C2C(CCC#N)C1(C(N)=O)C[NH+]2C,0,GDB ChEMBL
41029,CNC(=[NH2+])NC1C(=O)OCC1N,0,GDB ChEMBL
374373,CNC(=O)C(N)C(O)(C[NH3+])CCO,0,GDB ChEMBL
4772,C#CCC(=O)CCCCCCC1(C)CC1,1,GDB ChEMBL
29808,O=CN1CC2C(O)CCC1C1CC21,0,GDB ChEMBL
201039,CC(=N)N(C)C(=O)c1cc(O)nnc1N,1,GDB ChEMBL
217676,C#CCCCOC(C)COCCCCCOC,1,GDB ChEMBL
263486,C#CC1=C(CC)C(=O)CCCCN1C,0,GDB ChEMBL
388441,CC1(Nc2cc(OCC(=O)[O-])c(O)o2)CC1,0,GDB ChEMBL
223285,CCCC(CC)C1(CC)CC2CC(C)CC1C2,0,GDB ChEMBL
23926,CC1CCCCCCC2CC(C)(C)CCC2C1,0,GDB ChEMBL
173177,O=C1NCCc2cncn2CCOC(=O)N1,1,GDB ChEMBL
286317,CC1CC(C(C)O)N2CC2C([NH3+])(CO)C1,0,GDB ChEMBL
182303,CCC(Cc1cc2n(n1)CC(=N)O2)[NH2+]C,0,GDB ChEMBL
184270,O=C1CNC2CCCCN=C1OCC2,0,GDB ChEMBL
131916,CC([NH3+])CCC1C(=O)NC(=N)CN1C,0,GDB ChEMBL
174664,CC12CCNC(=O)N3C(=N)NC1(C#N)C32,0,GDB ChEMBL
29710,CCOC1=NC(C(N)=O)C2C(O)C[NH2+]CC2C1,0,GDB ChEMBL
132989,C#CC1=CC(C)CC1CC(O)CC(C)C,0,GDB ChEMBL
341151,CCc1ccc(C2CCC=C2C)cc1I,1,GDB ChEMBL
235486,CC#CC(=O)CCC(C)Cc1ccoc1,1,GDB ChEMBL
29220,CCCC1OC2CC2(C)[NH+]2CCC(C)CC12,0,GDB ChEMBL
115901,COC1CS(=O)(=O)NC(C#N)C(C=O)C1O,0,GDB ChEMBL
317979,Cc1c(Cl)cc(Cl)cc1CC(C)C(C)CC[NH3+],0,GDB ChEMBL
17455,CC([NH3+])C(CC#N)OCC[NH3+],0,GDB ChEMBL
252077,CC1CCC2CCCCC(C)([NH3+])C1N(C=O)C2,0,GDB ChEMBL
276095,C[NH2+]C1C(=O)C2C(C)CC(O)C2C1C,0,GDB ChEMBL
252665,CN=C1NS(=O)(=O)C2CC[NH+](CCO1)CC2,0,GDB ChEMBL
392466,CCCC(C)C1C(=O)CCC1C,1,GDB ChEMBL
71248,CC(CO)(C(=O)[O-])C1(CO)C(O)CC(O)C1[NH3+],0,GDB ChEMBL
147433,CC([NH3+])COc1c(C(C)O)c[nH+]c(N)c1CO,0,GDB ChEMBL
319165,Fc1cc2c(cc1F)C1CC(C2)C2CC12,1,GDB ChEMBL
162546,CN1C(=[NH2+])NC(=N)OCC1CO,0,GDB ChEMBL
77311,CC(=O)NC(C(C)(O)C#N)C(C)([NH3+])CCO,0,GDB ChEMBL
348608,OCCCc1ccc(Br)cc1,1,GDB ChEMBL
190134,C[NH2+]CCC1C(=O)NCC(=O)C1S(N)(=O)=O,0,GDB ChEMBL
344331,C=CC(O)C(=N[O-])c1cncc(Br)c1,0,GDB ChEMBL
357645,CC12CS(=O)(=O)NC1C(C#N)C(N)CC2O,0,GDB ChEMBL
376066,CN1C(=[NH2+])NC(C(N)=O)C1C(N)=[NH2+],0,GDB ChEMBL
250659,NC(=O)OC1COC2C(O)COC12,1,GDB ChEMBL
390490,NC(=[NH2+])Oc1ncncc1C[NH3+],0,GDB ChEMBL
79559,CC1CN=C2NCC(=O)N2C1=O,1,GDB ChEMBL
259129,C#CC(CC)C[NH2+]CC(=O)C1CC1,0,GDB ChEMBL
4750,[NH3+]CC1=CCc2c(ccc(F)c2F)CC1,0,GDB ChEMBL
204402,CC1[NH2+]CCC1(C)C,0,GDB ChEMBL
44997,CCC(O)CCCCC(C)=O,1,GDB ChEMBL
48099,NC1=[NH+]C2(C(=O)[O-])C(N)C2C(O)CN1,0,GDB ChEMBL
391770,Cc1ccc2n1CC(C)C1(C2)CC(O)C1,1,GDB ChEMBL
34794,N#CC1(CNC(N)=[NH2+])CC1(O)C[NH3+],0,GDB ChEMBL
109742,CCCC1(CC)CCCC2CCCCC21CO,0,GDB ChEMBL
346846,CN1CCOCC1(C)c1c(O)ccc(Br)c1[O-],0,GDB ChEMBL
252889,C[NH2+]CC1(C)[NH+]=C(N)C(C(=O)[O-])C(O)CC1O,0,GDB ChEMBL
259619,CC(=O)N(CCO)C(=O)COCS(C)(=O)=O,1,GDB ChEMBL
195342,COC1C(O)C(CS(C)(=O)=O)C12CCCO2,0,GDB ChEMBL
342394,CC(C)C1CN2C(=O)NCC2C[NH2+]1,0,GDB ChEMBL
29982,Nc1nc(C=O)cc2ccccc12,1,GDB ChEMBL
80999,CC(O)CCOC(=O)Nc1oc(=O)n(C)c1N,0,GDB ChEMBL
288422,CC12C3[NH2+]CC(OCCN1C2C(=O)[O-])C3O,0,GDB ChEMBL
50115,CC(O)CC1=CCC(C)C1,1,GDB ChEMBL
261466,Cc1c(C(C)C)ccc(F)c1N,1,GDB ChEMBL
216535,CC(C(N)=O)N1CC(CO)S1(=O)=O,0,GDB ChEMBL
24275,CCC(O)C(OC)C1CCC1C,1,GDB ChEMBL
86725,CC1=CC(=O)C2C[NH2+]C(C)CC1O2,0,GDB ChEMBL
372768,Cn1nccc1CCCC(=O)[O-],1,GDB ChEMBL
204556,CC(=O)OC(=NCC#N)C(C)[NH3+],0,GDB ChEMBL
29950,CCC[NH2+]C12C(C)C1C(=O)OC(C)C2N,0,GDB ChEMBL
148947,N#Cc1cc(F)cc(F)n1,1,GDB ChEMBL
15581,CC1COCC[NH2+]C1C=O,0,GDB ChEMBL
126993,Cc1nc(C(N)=O)cc(O)c[nH]c(N)n1,0,GDB ChEMBL
53830,CC#Cc1cc2cc(c1)CCCC=CC=C2,1,GDB ChEMBL
294807,CC1=CC=CCC=C1c1cc(Cl)cc(Cl)c1,1,GDB ChEMBL
261397,CC(C)CC1COC(C2CCC2)C1=O,1,GDB ChEMBL
162907,CC1CC[NH+]=C(N)C(O)C(O)C1O,0,GDB ChEMBL
108703,CC#CCC(C#N)NCC,1,GDB ChEMBL
281193,CCCC1OCC=CCC1C1CC1,1,GDB ChEMBL
350279,CCC1(C)CC(C)C(O)C1(C)CC,1,GDB ChEMBL
318391,CC1CC2(C)COC1C1CCC(O)CC12,0,GDB ChEMBL
244334,CC(C(N)=O)C1CCNC(N)=[NH+]1,0,GDB ChEMBL
338963,CC1C=CC2CCC(C)[NH+]2CCCC1,0,GDB ChEMBL
109717,CC1[NH2+]CC(C(N)=O)C2OCC12,0,GDB ChEMBL
92341,N=c1[nH]c(=O)[c-](OC(=O)CO)c(=O)[nH]1,0,GDB ChEMBL
191333,CCC(C)(C)COC(C)C(C)O,1,GDB ChEMBL
301182,C[NH2+]C1CC2=CC(O)CC2(C)C1,0,GDB ChEMBL
314944,CC(=O)c1cnc(C(=[NH2+])N(C)C)ccccs1,0,GDB ChEMBL
85032,CCC1C2CCC(C)CC(CCO)C12,0,GDB ChEMBL
391701,NC(=O)c1c([O-])c(Br)nn2c(=O)cc(N)nc12,0,GDB ChEMBL
104714,C[NH+](CC(=O)[O-])CC(C#CC(C)(C)C)C[NH3+],0,GDB ChEMBL
377766,CCCC([NH3+])Cc1cc(Cl)nc(=N)s1,0,GDB ChEMBL
73278,CC1=CC2=CCCCCC(CCC1)CC2C,0,GDB ChEMBL
66743,CCC(O)c1ccc(Br)c2oc(C)nc12,1,GDB ChEMBL
362626,C#CCC1CC(C)C(C(CCC)CCCC)[NH2+]1,0,GDB ChEMBL
336614,CCCCC(C)C1(C)CC(C)(C)C(C)(C)C1,0,GDB ChEMBL
107699,NC(=[NH2+])c1cscc1C=O,0,GDB ChEMBL
16048,CC1NC2C(=N)NC(=O)C([NH3+])C2C1OCC[NH3+],0,GDB ChEMBL
23442,CCCOC(=O)C1(C)C(NC=O)C1(C)[NH3+],0,GDB ChEMBL
94845,CNC1(C[NH3+])C(CO)C1(O)C(=O)[O-],0,GDB ChEMBL
314927,CC(CCCCCCC(C)(C)[NH3+])C1CC1C,0,GDB ChEMBL
61930,Cc1n[nH]c2cc(N)ccscnc12,0,GDB ChEMBL
148847,C#CC(C)(C)CCCC(=[NH2+])NCCCCC,0,GDB ChEMBL
200586,N#CC1(C#N)C(CO)N1CC[NH3+],0,GDB ChEMBL
235948,CC1C2CC(CNC(=[NH2+])C2O)[NH+]1C,0,GDB ChEMBL
374019,CC(O)CNS(=O)(=O)C1CCOCC(=O)O1,0,GDB ChEMBL
284714,CCC(C[NH3+])(C(=O)NC(N)=O)C(C)(N)C[NH3+],0,GDB ChEMBL
16022,Cc1ccc(Cl)c(C)c1C1CC1(C)C,1,GDB ChEMBL
141928,N#CC1(CC(N)=[NH2+])NC1C(=O)[O-],0,GDB ChEMBL
56634,C#CC(C)([NH3+])C1CNC(=O)C1N,0,GDB ChEMBL
267939,CC12C[NH2+]C3CC1C(O)C3COC2,0,GDB ChEMBL
307505,COC1CC1C1(C)CC2CCC1C2,1,GDB ChEMBL
288943,CNC1=[NH+]C2COC(C)C(CC(=O)C1)C2OC,0,GDB ChEMBL
237966,C#Cc1cc(C)c(C2(C)CC2)c(F)c1F,1,GDB ChEMBL
84919,Cc1[nH]c(O)c(CO)c1CC(C)[NH3+],0,GDB ChEMBL
124844,CC(=O)NC(=O)c1cc(=O)n2cnsc2c1,0,GDB ChEMBL
76460,Cc1cccc(N2CC2)c1N,1,GDB ChEMBL
208361,N=C1OCC2=NC(CCC[NH3+])CC(C(N)=O)N12,0,GDB ChEMBL
99591,CCC(C)(C)c1c(N)cc2occc2c1C,1,GDB ChEMBL
176471,C[NH2+]C1CC(NS(=O)(=O)CC(N)=O)C1O,0,GDB ChEMBL
82195,Cc1cccc2c(F)c(F)cc(F)c12,1,GDB ChEMBL
190507,C=CCCC1C=CC2C1CC[NH+]2C,0,GDB ChEMBL
204448,CC1CC(=O)[N-]S(=O)(=O)COCCN(C=O)C1,0,GDB ChEMBL
296099,C#CCOC(C1C[NH2+]C1C=O)C(C)(C)O,1,GDB ChEMBL
284297,C#CCc1ccnc(C)c1C,1,GDB ChEMBL
274176,N=C1CC(N(CC2([NH3+])CC2)C(N)=O)C(=O)N1,0,GDB ChEMBL
54831,N#CC12C[NH2+]C(C(C(=O)[O-])C1O)C2C=O,0,GDB ChEMBL
174891,N#Cc1ccc2n(c1=O)CC(O)C2,1,GDB ChEMBL
99670,C[NH2+]C1C2CC(NC2=O)C2(CO)OC12,0,GDB ChEMBL
366048,CC(C)C(=CC[NH+](C)C)CC(N)=O,0,GDB ChEMBL
190321,CC1CC2(O)C(C)CC[NH2+]C2COCCO1,0,GDB ChEMBL
194772,C#CC1Cc2c(I)cccc2N1,1,GDB ChEMBL
203556,CC1(O)CC(C=O)(C(N)=O)COC1C#N,0,GDB ChEMBL
354989,O=C1CC2CNC3C(O2)C3(O)CO1,0,GDB ChEMBL
231159,O=C1CN2CCC2c2c1ccc(Cl)c2[O-],0,GDB ChEMBL
225413,CC#CC1=C(C)N(C(C)=O)CC1,1,GDB ChEMBL
277602,C#CC(CO)[NH+](C)C1CC(C)C1,0,GDB ChEMBL
256135,[NH2+]=CNCC(=O)OCC(O)CCO,1,GDB ChEMBL
243341,CCC1CC2(C)C3C(CCCC32C)[NH+]1C,0,GDB ChEMBL
195327,C[NH+](C)CC1OC(=O)C2OC12,0,GDB ChEMBL
355150,C#CC1(CC)CCC(OC)CC(O)CC1(C)O,0,GDB ChEMBL
188062,C[NH2+]CCC([NH3+])C(C)(C)CCc1c[nH]c(C)c1,0,GDB ChEMBL
99831,Nc1cnc(NCCO)nc1O,1,GDB ChEMBL
349473,CN=C1NCC(CC(C)C(N)=O)CS1(=O)=O,0,GDB ChEMBL
132711,CCOC(=O)C1(NC)C(C[NH3+])C1(O)C[NH3+],0,GDB ChEMBL
287002,C#CCC(=[NH2+])Nc1ccnn1CC1CC1,0,GDB ChEMBL
249459,NC(=O)NCC1CC1(O)C[NH3+],0,GDB ChEMBL
354028,CC1C(O)C2C([NH3+])CC(=O)N(C)CC2(O)C1O,0,GDB ChEMBL
393975,C#CC(C)(C)[NH+]1CC(C)CC1C1CCOCC1,0,GDB ChEMBL
201477,Cc1ccccc(C)c(C)c(C)c(C)c1,0,GDB ChEMBL
102176,CCC1C[NH2+]CCCC(=O)C(C)N1,0,GDB ChEMBL
18879,Cc1c(F)cc2c(c1C)CC=CCN2,1,GDB ChEMBL
353226,CC1(C[NH3+])C2CCC(C2)C1O,0,GDB ChEMBL
53681,CC(=O)NC(=N)C1CN2CC1(O)C2C(=O)[O-],0,GDB ChEMBL
76680,Nc1cnc(C=O)cc1S(N)(=O)=O,1,GDB ChEMBL
333628,CN1CC(O)C2([NH3+])C3NC(=O)C(NC1=O)C32,0,GDB ChEMBL
363797,C=C(C)C(C)CC(CCC)C(C)C,1,GDB ChEMBL
130623,CCCc1cnc(CC2(C)CC2)nc1,1,GDB ChEMBL
125547,C[NH2+]C1CCC2C=CCOC21C,0,GDB ChEMBL
40035,COCC(CO)N(C=O)C=O,1,GDB ChEMBL
36208,COC1CC(C[NH3+])C(C)OC(=O)O1,0,GDB ChEMBL
37277,CCC1COCCCC(C)NC1C#N,1,GDB ChEMBL
338160,CCC([NH3+])C1C2CC2C(CC)[NH+]1C,0,GDB ChEMBL
359096,C=C1CCC2C(C)C(C#N)CC12C,1,GDB ChEMBL
126621,[NH3+]C(C(O)CO)C(O)CC1C[NH2+]1,0,GDB ChEMBL
84883,CCC1CC(N)C(C(N)C(O)C(O)C(N)=O)[NH2+]1,0,GDB ChEMBL
286831,CC#CCOCCN(C)C=O,1,GDB ChEMBL
173151,CC1C(O)C2CC3C(OC(=O)N2)C13,0,GDB ChEMBL
5036,CC1(C)CNc2nonc2CC(CCCO)C1,0,GDB ChEMBL
310982,COC(=O)C1NCCC2C([NH3+])CCC(C)[NH2+]C12,0,GDB ChEMBL
300957,CC1N=C2OC(=O)CCNC2CC1(C)CCO,0,GDB ChEMBL
283977,C#CC(CC)C(C)CCCC1(C)CCCCC1,0,GDB ChEMBL
12815,CCCCCCC(C)CCC(C)CC(C)C,1,GDB ChEMBL
175561,C=CC(C)(C(=C)C=O)C(C)CCC,0,GDB ChEMBL
277619,C[NH2+]CC(C)c1c(F)cnc(F)c1[O-],0,GDB ChEMBL
274140,CCCCCC12CCC1C(C)C(C)C2,0,GDB ChEMBL
38918,CCC(=O)c1cc(Br)ccc1C(F)(F)F,1,GDB ChEMBL
235716,CCC#CCCC(O)C1(C)CC(CO)C1,1,GDB ChEMBL
181352,CC(C)C1CC1C1(C)CCC(O)C1,1,GDB ChEMBL
45941,CNC(=O)C1C([NH3+])C1C(C)(N)C(N)=O,0,GDB ChEMBL
112086,CCC(C)(C)C1=CC(CC[NH3+])OC1CO,0,GDB ChEMBL
177089,CCCC[NH+]=C(N)c1cc(Cl)c(C)nc1O,0,GDB ChEMBL
355330,Cc1cccc(C)c(C(C)[NH3+])ncs1,0,GDB ChEMBL
19625,C#CCC1CCC(C2CC2)CC1C,1,GDB ChEMBL
283971,C#CC1CC(COC(C)C)OCC2CC[NH2+]C12,0,GDB ChEMBL
34970,CCC(=O)OCC(CO)CC(O)C(=O)[O-],0,GDB ChEMBL
53033,CCNC1(C#N)CCN(C2(C)CCC2)C1,1,GDB ChEMBL
203895,N#CC1CC2([NH3+])C3C(N1)C(=O)[N-]S(=O)(=O)C32,0,GDB ChEMBL
102171,CCC[NH+]=C(CC(=O)CCC(C)[NH+](C)C)NC,0,GDB ChEMBL
291933,Brc1cc2cc(c1)C=CC1CC(C#C2)C1,1,GDB ChEMBL
85695,CC1=CC(C[NH3+])C2(C(N)=O)C1N2S(C)(=O)=O,0,GDB ChEMBL
234460,C#Cc1nc(C)c(C(=O)[O-])cc1F,1,GDB ChEMBL
59223,C[NH2+]C(CC(C)O)C(O)C(OC(N)=O)C(C)O,0,GDB ChEMBL
218825,C[NH2+]CC(CCO)n1cc([NH+]=C(N)N)cc1N,0,GDB ChEMBL
118680,C[NH2+]C(C)(C)C(CCO)n1nc(C#N)nc1N,0,GDB ChEMBL
91172,CCC(C)CC(CC)C1(C)CC(C)C(C)C1,0,GDB ChEMBL
292219,C[NH2+]CC1CCOCC(=[NH2+])N1,0,GDB ChEMBL
38943,CCOC1CC(CC#N)C1O,1,GDB ChEMBL
276046,CC12CCC1C1CC(C[NH+]3CCCC3C1)C2,0,GDB ChEMBL
320454,OCCCC1(CC(F)(F)F)CC2CCC(C2)C1,0,GDB ChEMBL
195480,N#CC(N)C1(C#N)CC(O)C(=O)[N-]1,0,GDB ChEMBL
199046,CCC(Nc1ccoc1)C(C)C,1,GDB ChEMBL
292541,CCCCC1C2CCCC=C(C(F)(F)F)C12,0,GDB ChEMBL
140330,C=CC(O)COCCNCC(N)=[NH2+],0,GDB ChEMBL
298253,CC([NH3+])C(O)C(O)CC1CNC(=O)O1,0,GDB ChEMBL
305959,NCC1CC=CC(CNC(N)=[NH2+])C(N)=[NH+]1,0,GDB ChEMBL
306300,C#CC1(c2ccc(C)c(C)c2)CCCCCC1,1,GDB ChEMBL
203109,CCC1C2C(CCN2C=O)[NH+](C)C1C,0,GDB ChEMBL
193310,C#CC(C#C)[NH2+]C(C)(C)CCCC1C[NH2+]C1,0,GDB ChEMBL
227743,CCC1=C(CC(=O)[O-])CCC12CC(C[NH3+])C2,0,GDB ChEMBL
302638,CC(=O)NCC1CC1OC(C=O)C=O,0,GDB ChEMBL
142926,CCCCC1CC(C)C(C)C(C)(CCC)C1,0,GDB ChEMBL
340426,CC1=CCC2CC(C)C(C1)C(C(C)C)C2,0,GDB ChEMBL
251927,CC1C(=O)NC2CC(=O)OC(C2)C1C=O,0,GDB ChEMBL
278822,CCC1(C(C)(C)C)C(=O)CC(O)COC1=O,0,GDB ChEMBL
148549,CC(=NCC(=O)NC=O)NS(C)(=O)=O,1,GDB ChEMBL
101918,CCC(CC)([NH2+]C)C1CC([NH3+])C(O)C12CO2,0,GDB ChEMBL
66685,[NH3+]CC1C=CC=CC(O)C1,0,GDB ChEMBL
367794,CC(C)COCCC(O)(C#N)C=O,1,GDB ChEMBL
334452,CC[NH2+]CC1(C(C)C)C=CCOC1,0,GDB ChEMBL
88192,COC(=N)N1CCC(CO)C(O)C(O)C1=O,0,GDB ChEMBL
259536,[NH3+]CCC1(CO)COC1,0,GDB ChEMBL
50327,CCC(=O)NC(=O)C1C(C)C1O,0,GDB ChEMBL
275532,CC1CC(O)C2CCCC(CC[NH2+]1)[NH2+]2,0,GDB ChEMBL
27950,Cc1cc2cn[nH]c2c(=N)nc1C,0,GDB ChEMBL
379214,CN(CCCC1CC1)CC(F)(F)F,1,GDB ChEMBL
251914,CNC(=O)C1N=COC2C(O)C(C[NH3+])OC12,0,GDB ChEMBL
79277,COc1nc(Br)c2c(n1)CCC2C,1,GDB ChEMBL
374008,NC(=O)C1C2NC(=O)CCOC(OC2=O)C1O,0,GDB ChEMBL
75866,CN(C1=C(C(N)=O)CCOC1)S(C)(=O)=O,1,GDB ChEMBL
337182,CC(=O)N(C)C1C2(CO)N=C(N)OC12C=O,0,GDB ChEMBL
96096,C=C1CC2CCCC(C2)CC1CC,1,GDB ChEMBL
99394,O=CC1CC2C(CN1)[NH2+]CC1CCCOC12,0,GDB ChEMBL
299202,C[NH+](C)C1C2CCC1OC(=[NH2+])N2,0,GDB ChEMBL
211163,CCC1=CC(COC)C2C[NH+](C1)C2,0,GDB ChEMBL
143165,NC(=[NH2+])C1CC(C(=O)[O-])NC(C=O)C1C(N)=O,0,GDB ChEMBL
18840,OCCC1(Nc2ccc(I)cc2I)CC1,1,GDB ChEMBL
204397,Cn1c(N)c(Cl)nc(C=O)c1=O,1,GDB ChEMBL
390537,CC#CCNc1cnc(C=O)c(O)c1,1,GDB ChEMBL
375142,CCC(O)CCCn1cccc1C,1,GDB ChEMBL
222198,NC(=[NH2+])C1N2C1(CO)C(=O)NCCS2(=O)=O,0,GDB ChEMBL
238159,CCOCC1CC1(CC)CO,1,GDB ChEMBL
285137,C#CC(=O)CCC(C)(C)[NH2+]C(C)CO,1,GDB ChEMBL
352851,CCCC(C1CCCC1)C(C)C(C)C(F)(F)F,0,GDB ChEMBL
1955,[NH3+]CC1C2C[NH2+]C(C(=O)[O-])C12O,0,GDB ChEMBL
179122,CCCCC#CC([NH3+])C(C)(O)C(=O)[O-],1,GDB ChEMBL
398908,CC12CC([NH3+])(C(=O)[O-])CC1O2,0,GDB ChEMBL
140823,C#CC1CC2CC[NH2+]CC2N1,0,GDB ChEMBL
221146,CC[NH+]1CC(C)C2CCC(N)(COC)C21,0,GDB ChEMBL
284880,N#CC(N)(c1ccc(F)cc1)C1CO1,1,GDB ChEMBL
308308,CCc1ccccc1C(C)[NH3+],0,GDB ChEMBL
255446,CC1(CCc2[nH]cc(CC[NH3+])c2O)CCCC1,0,GDB ChEMBL
116406,CC(C#N)CC(=O)NC(CO)C1(C)C[NH2+]C1,0,GDB ChEMBL
124188,CC(O)CC(C)OC(=O)c1cc([N+](=O)[O-])on1,1,GDB ChEMBL
75024,CCCC(C#N)C1(C)C(CC)CCC[NH2+]C1C,0,GDB ChEMBL
31267,N#CS(=O)(=O)C1CC1NC(=O)CNC(N)=[NH2+],0,GDB ChEMBL
363591,Cc1cc(C(C)(C)NC=[NH+]CC(=O)[O-])co1,0,GDB ChEMBL
309643,CCC1(O)CC2CC(OC2COC)C1C,0,GDB ChEMBL
141967,CC1C2C3CCC(C3)C1C1C[NH2+]CC12,0,GDB ChEMBL
120693,CCC(C)CC12CCC(C1)C(C(C)(C)C)CC2,0,GDB ChEMBL
266227,CNC(=O)NC(=O)OCC([NH3+])C(N)=O,1,GDB ChEMBL
129597,CCC1(CCC#CC2CCC=CCC2)CC1,1,GDB ChEMBL
288978,C#CC(CC[NH3+])C12CC[NH+](C)CC1O2,0,GDB ChEMBL
155109,CC(C)(C)c1ccc(CO)c(CCCO)c1F,1,GDB ChEMBL
214423,C[NH2+]C(C)C(O)(CO)C(=O)[O-],1,GDB ChEMBL
197026,CCOc1c(N)ncnc1N,1,GDB ChEMBL
115558,C#CCN(CC[NH3+])C(=[NH2+])C(CO)C(N)=O,0,GDB ChEMBL
118669,CC([NH3+])C1NC(=O)N(C)C1(C#N)CN,0,GDB ChEMBL
98622,CC[NH2+]C1CNC(=[NH2+])CC([NH3+])CCC(C)(C)C1,0,GDB ChEMBL
372562,Nc1ncsc1COCC[NH3+],1,GDB ChEMBL
165666,COC(C)Cc1c(C)c(CC#N)ncnc1=O,0,GDB ChEMBL
249574,CC1=CC=CCCCCCC1C(C)C,0,GDB ChEMBL
309694,C#CCC(C)(CCO)Nc1c(C)c[nH+]cc1Br,0,GDB ChEMBL
324051,CC(O)C(C)C1C(C(=O)[O-])CNS1(=O)=O,0,GDB ChEMBL
45039,CC1CNc2cc(Cl)c3c(c21)C=CCC3,1,GDB ChEMBL
153338,COCCOC1C(O)C(C)(O)C1O,1,GDB ChEMBL
338544,CCCCC1C2CCC(CC)C1(C)CC(C)C2,0,GDB ChEMBL
197212,COCCCC(O)C1CN1CC[NH3+],0,GDB ChEMBL
318388,COC1C(N)C(C)([NH3+])CC(C)(CO)C1CCO,0,GDB ChEMBL
260127,NC(=[NH2+])C1C(=O)OCC1C(N)C[NH3+],0,GDB ChEMBL
205966,CCCn1cc(OC)nc1CC1(C)CC1,1,GDB ChEMBL
190057,CCc1cc2c(c(F)c1N)C(C)=CCC2,1,GDB ChEMBL
44123,C#CCC([NH3+])Cc1c(C)cncc1F,0,GDB ChEMBL
393507,COc1cc(C)c(N)nc1C[NH3+],0,GDB ChEMBL
223554,CN(CC(N)=O)C(=O)n1ncnn1,0,GDB ChEMBL
279965,Cc1c2c(=O)c(O)c3ncoc3cc2nn1C,0,GDB ChEMBL
384294,CC1=CC(CC#N)CC2C(C)(O)CCC12C,0,GDB ChEMBL
99827,Cc1cc(C)c(CCC2([NH3+])COC2)[nH]1,1,GDB ChEMBL
177203,CCS(=O)(=O)C1NC1C(COC)C(=O)[O-],0,GDB ChEMBL
263514,CCC12[NH2+]C(COC)CC1CC(O)C2(C)C[NH3+],0,GDB ChEMBL
300442,CC1=CC2(C#N)CC(O)C=CCN(C)C2C1,0,GDB ChEMBL
148729,C#Cc1cc2cc(Cl)ccc2nc(O)scn1,0,GDB ChEMBL
341905,C=CCCCCC1CCCC1=CC,1,GDB ChEMBL
132460,C[NH+]1C2CC3CCCCC3(O)CC2CC1(C)C,0,GDB ChEMBL
206970,C#CC1(O)C(=O)CC(CO)CC1=O,1,GDB ChEMBL
230434,CC1CCC(CC2CC[NH2+]2)C1,0,GDB ChEMBL
181153,C=CC(C)(CC)C(=C)COC(C)C,1,GDB ChEMBL
270080,CCC(CCCOC)=NO,1,GDB ChEMBL
126861,NC(=[NH2+])NC(=[NH2+])NCC1(O)CC1,0,GDB ChEMBL
358587,CCCN1CC1C1(O)CNC(=O)OC1C,0,GDB ChEMBL
119910,NC(=O)NC1(CC[NH+]=C(N)N)C([NH3+])C1O,0,GDB ChEMBL
207272,CCCC1(C)CC2C[NH+](C)C2C1C(C)O,0,GDB ChEMBL
99816,O=C1CCC2CN(C(=O)CN1)C1COC1=N2,0,GDB ChEMBL
152580,CC(CO)OC1CCCC2C([NH3+])C12,0,GDB ChEMBL
31797,Cc1cc(C(C)[NH+]=CN(C)C)c(O)n(C)c1=O,0,GDB ChEMBL
121497,CC1C2OC1C([NH2+]CC(N)=O)C(O)C2O,0,GDB ChEMBL
214881,C[NH+](C)C1CC1C(C)([NH3+])CO,0,GDB ChEMBL
167319,CC1CC(O)CCC[NH2+]C2CC([NH3+])C(C)NC12,0,GDB ChEMBL
279227,CCCC[NH2+]C1C=CC(CC)C2C(CC)C12,0,GDB ChEMBL
260549,CC1CC2CCOC3CC1C2C3,0,GDB ChEMBL
34253,COCC1CC(O)CC2C(C)[NH2+]C1C2O,0,GDB ChEMBL
86697,N#CC(=O)N1CC([NH3+])CCC1(CO)CCCO,0,GDB ChEMBL
324054,CC(=O)OC1C2CC([NH2+]C(C)(C)C)C(O)C21,0,GDB ChEMBL
11017,CCC(C)OCC1CCCC(C(C)C)C(C)C1,0,GDB ChEMBL
276315,CC(C)CC(=O)C(CO)C1C(=O)NCCC1O,0,GDB ChEMBL
8651,C#CCC1CC2(CC)C[NH2+]C1C2,0,GDB ChEMBL
346806,CC1OCC2CC(C)[NH+]2CC1C(N)=O,0,GDB ChEMBL
15535,NCC[NH2+]CCc1cc(N)cs1,0,GDB ChEMBL
48496,C[NH2+]C(C(=O)[O-])C1COc2nsnc21,0,GDB ChEMBL
70851,CCCCCc1ccoc(N)cccc1CC,0,GDB ChEMBL
191671,CC1C2CS(=O)(=O)NCC(O)C(=O)N12,0,GDB ChEMBL
87690,CCOc1cc(Br)c2c(c1)CCC2(C)CO,1,GDB ChEMBL
280583,CCN(CC(F)(F)F)C1(CC)CN(C)C1,1,GDB ChEMBL
290009,CC12C(CC3CNC(=O)C31O)N2S(C)(=O)=O,0,GDB ChEMBL
288623,CN1C=[NH+]C2CC1C(CC#N)NC2=O,0,GDB ChEMBL
333903,CC1CC2(C)CCC(CO2)[NH2+]1,0,GDB ChEMBL
391752,NS(=O)(=O)Oc1noc2c1CNCC2,1,GDB ChEMBL
279098,CC(=CC#CC[NH2+]C1CC1)C(N)=O,0,GDB ChEMBL
389600,CC(C)C1[NH+](C)CCC(C(C)(C)O)C1(O)CO,0,GDB ChEMBL
162536,CCCC1(C(C[NH3+])OCC)NCC(O)C1[NH2+]C,0,GDB ChEMBL
141714,CCC1c2cccc(I)c2C2C1CCC2(C)C,0,GDB ChEMBL
208407,C#Cc1cc(F)c(C)c(OCC(C)(C)C#C)c1,1,GDB ChEMBL
148198,CC1CC[NH2+]C2C(CO)C2C1O,0,GDB ChEMBL
341170,CC1=CCC[NH+]2CC1CC2CCC#N,0,GDB ChEMBL
34839,CC#CC1CCOC(C)C(C)[NH2+]1,0,GDB ChEMBL
70323,CC#CCC(CO)CC#N,1,GDB ChEMBL
323204,CC#CC(C[NH3+])C(CCCC)C(C)O,0,GDB ChEMBL
153283,CCC1CCC2(CC)C=CCOC(=O)C=C12,1,GDB ChEMBL
143135,CCC(OC)C1C2C=CCN21,0,GDB ChEMBL
358205,COCC1OC(=O)NC(C#N)C1N,0,GDB ChEMBL
338980,C#CCC(C)C(CC)CC1CCC(CC)[NH2+]C1,0,GDB ChEMBL
179114,CC(C)C1CC2(C)CCC1(O)C2,1,GDB ChEMBL
274656,CN1C(CO)=NC2CC1CNC2=O,0,GDB ChEMBL
104647,C#CCn1c2c(c(C#N)c1NC)NC(C[NH3+])C2,0,GDB ChEMBL
273948,O=C(CO)Nc1[nH]c(=O)[nH]c(=O)c1CO,1,GDB ChEMBL
26947,CC(O)C(=O)NC(=N)OCC(=O)n1cccn1,1,GDB ChEMBL
280443,NC(=O)C1(C[NH3+])CNC(=O)NC(=O)C1N,0,GDB ChEMBL
50345,C=C1CCCC2OC2CC1CCC,1,GDB ChEMBL
375464,CCC1(CC(C)CC([NH3+])CN)COC1,0,GDB ChEMBL
12837,CC1(O)CCC2(NC(N)=[NH2+])C(N)C12,0,GDB ChEMBL
349977,NC(=O)C1C([NH3+])C2NC(=O)CNCC21CO,0,GDB ChEMBL
391715,C#CCC1C(C)C(C)CCCC1(C)CC,0,GDB ChEMBL
320805,COCCC(C[NH3+])(CO)C(C)(C)[NH+]=C(N)OC,0,GDB ChEMBL
320473,Cc1c(Br)cnc(N)c1O,1,GDB ChEMBL
126921,CC(CO)NC1(CC([NH3+])CC[NH3+])C[NH2+]C1,0,GDB ChEMBL
77546,Cc1csc(-n2nc(C(N)=O)cc(N)c2=O)n1,0,GDB ChEMBL
153726,CCCC1(C)OC1C1(C)C(C)CCC1C,0,GDB ChEMBL
277855,Cc1nc(O)c(C2=CC(C)C(=O)C2)cc1N,0,GDB ChEMBL
385463,C=CCC(C)(C)C1C[NH2+]C1C1CC1,0,GDB ChEMBL
181640,Cc1ccc2c3c1OCCCC3(C)CC(C)C2,0,GDB ChEMBL
358473,CNC(C#N)C1(C#CC[NH3+])COC1,0,GDB ChEMBL
38222,CC1OC2C(C1O)C2(C)C(=O)[O-],0,GDB ChEMBL
258200,CCC(CC#N)NC1CC(OC)c2sccc21,1,GDB ChEMBL
177332,C[NH2+]C1CN2CC(C=O)C1C(O)CC2C#N,0,GDB ChEMBL
385352,C#CCCCCC1C[NH+]2C(C)C2(C)C1,0,GDB ChEMBL
28356,CN1CCCNc2ncc(nn2)C(C#N)C1,1,GDB ChEMBL
40286,CCC1(O)CCC(C)(C)C1,1,GDB ChEMBL
79544,CCNC(=O)C(OC(C)=O)C1CC(N)C(=[NH2+])N1,0,GDB ChEMBL
366909,C#CC1COC(C#N)C1(C)C(O)CCC(N)=O,0,GDB ChEMBL
200601,CCC1C2C=C(C)C1C2c1ccc(Cl)cc1,0,GDB ChEMBL
180058,CCCC1([NH2+]C(C)CC#N)CC1,0,GDB ChEMBL
161037,CC([NH3+])C(NC(=O)C(N)C[NH3+])C(O)C(C)O,0,GDB ChEMBL
134484,CC1CC=CC=Cc2cc(I)ccc2C1,1,GDB ChEMBL
358315,CC[NH+](C)C1COC(C)(C)c2onc(C)c2C1,0,GDB ChEMBL
380292,NC(=O)Cc1cc(N)c(=[NH2+])n(CC(N)=O)c1,0,GDB ChEMBL
273837,CCCCC1C2[NH2+]C2C(CC)C1(C)C,0,GDB ChEMBL
276132,CCCC1(C)C(C([NH3+])CO)CCC1C(C)(C)C,0,GDB ChEMBL
132502,CC(=O)OCC1OCC2CC1[NH2+]2,0,GDB ChEMBL
304069,[NH3+]C1CCC=CC=CC(=O)NC1,0,GDB ChEMBL
233935,C=C(CCC1CC1)C(O)C(C)CC,1,GDB ChEMBL
184539,CC#CC(C)(C)[NH+](CCCC)C1CC1C,0,GDB ChEMBL
354144,CC1C(O)CC2C(C[NH3+])C2C1O,0,GDB ChEMBL
157393,C#CC1(C(C)C)CC(C)[NH+](CCC)CC1(C)C,0,GDB ChEMBL
85807,C#CC1(CC)CCC=CCCCC1,1,GDB ChEMBL
155088,CC1CNC2=[NH+]CC(C)N21,0,GDB ChEMBL
127723,CC1CCCC2=CCCCC(CC2)C1,0,GDB ChEMBL
180045,CCC1=CCOC(C(=O)[O-])C12CCC2,0,GDB ChEMBL
254262,CC1CC=CCCC(C)O1,1,GDB ChEMBL
233429,CCC(C)CC1CCC1C(=O)[O-],0,GDB ChEMBL
306277,CCCCC(=N)[N-]C(=O)C#N,0,GDB ChEMBL
193324,C#CCCC1CC(OC)CC(=O)C1C[NH2+]CC,0,GDB ChEMBL
16037,CN(C)C1(C)C[NH+]=C(N)N(CC(=O)[O-])C1CO,0,GDB ChEMBL
73294,C#CCCC12CCCC[NH+]1CCC2C,0,GDB ChEMBL
350278,C[NH2+]CC1Oc2ncsc2C1OC,0,GDB ChEMBL
382975,CCC(CC1CCC1)C1C=CCC1,1,GDB ChEMBL
99672,C#CC(C)([NH3+])CCC1CCC([NH3+])CC1,0,GDB ChEMBL
122967,CC1C#CCC(C)(C)OCCC=CC[NH2+]1,0,GDB ChEMBL
296641,CCC[NH2+]C12Cc3ccc(C)n3C1C2,0,GDB ChEMBL
363198,Cn1ccc2cccc(C=O)c2c1=O,1,GDB ChEMBL
243914,N#CC1(N)C(=O)N(C(N)=O)CC1O,1,GDB ChEMBL
18819,CC(C)CC1CCCC2CC1(C)CCC2(C)C,0,GDB ChEMBL
218776,N#CC(CC1OC(=O)OC1CO)NC=O,1,GDB ChEMBL
279079,CCC1C(C)[NH2+]C2C[NH+](CC)C(C)(C)C21,0,GDB ChEMBL
368482,CCOC1CC2[NH2+]C(C)CC(CC1=O)C2(C)C,0,GDB ChEMBL
79308,C[NH2+]C1CN2CC=CC1(OC)C2,0,GDB ChEMBL
190511,C#Cc1cc(F)c(CO)c(C(C)C[NH3+])n1,0,GDB ChEMBL
131620,C[NH2+]C(CN1CCOC1=NCC(=O)[O-])C(N)=O,0,GDB ChEMBL
303329,N#CCCN1C(=O)C(=O)NC2CC21,1,GDB ChEMBL
3955,CCC1(C)CC2OCCCN=C2N(C)C1,0,GDB ChEMBL
328877,Cc1cc(Br)c2c(c1)C(C)C1CCCC21C#N,0,GDB ChEMBL
41613,[NH3+]CC1(C(=O)[O-])C[NH2+]C2CC(O)(C2)C1,0,GDB ChEMBL
42555,CC(C)(C)CC(=O)c1ncco1,1,GDB ChEMBL
174947,CC1(N)C(=O)NC(=O)C1C=CC[NH3+],0,GDB ChEMBL
292514,CNC1=C(C)C(=O)OC1C(C)NC(N)=[NH2+],0,GDB ChEMBL
264964,[O-]N=C(CCC1CCC1)c1ncncc1O,0,GDB ChEMBL
340159,C1=CC2CC(CO2)[NH2+]C1,0,GDB ChEMBL
219498,CC1CC2C(=CC[NH2+]C2C)COC1C,0,GDB ChEMBL
363541,CCCC[NH+]1CCCCC(C(N)=[NH2+])CC(N)C1,0,GDB ChEMBL
352826,CC1CC(C)(O)C2CC(C[NH3+])C1CCC(=[NH2+])N2,0,GDB ChEMBL
204672,CNC(=O)C(CNC(N)=O)OCc1cc[nH]n1,1,GDB ChEMBL
239112,CCCCC(C[NH3+])CCC#CCC(N)=O,0,GDB ChEMBL
228911,CCc1c(Br)c(Br)c2c(c1C[NH3+])CC(CC)C2,1,GDB ChEMBL
46889,CC1=C(C)C(CC[NH3+])OCC1,0,GDB ChEMBL
385941,CC1[NH2+]C(C(=O)[O-])C2OC1C2C=O,0,GDB ChEMBL
250591,CC1=CCCOC(C)=NCC(=O)NC1,0,GDB ChEMBL
279990,C#CC1CC2CCC1(O)C2c1ccc(Br)cc1,1,GDB ChEMBL
132458,CC1CN(C=[NH2+])CC2CCC(C2)NC(N)=[NH+]1,0,GDB ChEMBL
283443,CC1CCOC1C(CO)CCC#N,1,GDB ChEMBL
4803,C#CC1(C(CC)CCCCC)CCOC(C)C1,0,GDB ChEMBL
86721,NC(=O)C1OC(=[NH2+])NC(C(=O)[O-])C1N,0,GDB ChEMBL
4868,CC1=CCC(CO)=CCC(=O)C1C#N,0,GDB ChEMBL
243741,CCC(C(C)C)C1(CC(C)C)CCC1,0,GDB ChEMBL
122905,CC(O)C(C)C(C=O)CCC[NH+](C)C,0,GDB ChEMBL
1509,CN(C)C1C(O)C1C#N,1,GDB ChEMBL
319343,N#Cc1c(O)nc(N)c([N+](=O)[O-])c1N,1,GDB ChEMBL
289793,CC1C=CC(OCC(F)(F)F)C1,1,GDB ChEMBL
129450,CCC[NH2+]C1C2CNC1(C)CC2=O,0,GDB ChEMBL
33341,C1#Cc2cccc(c2)CC=C2CCC=C1C2,0,GDB ChEMBL
177891,COC1CCC2[NH2+]CCC2C1C,0,GDB ChEMBL
215859,CCN1C(=O)C(C[NH3+])C2CC=CC23CCC13,0,GDB ChEMBL
114394,COC1(CC(N)=O)C(O)CCN(C=O)C1(C)C,0,GDB ChEMBL
280623,CCCc1c(Cl)c(C)c(C)c2c1CC(C)CN2,1,GDB ChEMBL
219532,CCC(C=O)Nc1ncns1,1,GDB ChEMBL
74353,CCC1C(CC[NH2+]C)CC2[NH2+]C1C(N)C2O,0,GDB ChEMBL
47190,CC1(C)OC(C#N)C(O)CC1CNC=O,1,GDB ChEMBL
345368,Cc1nccnc1COC1CC1,1,GDB ChEMBL
274032,CCC1C(O)C2C(O)C1C1C[NH2+]CC12,0,GDB ChEMBL
313356,CC(=O)C1C2C=C(C)C1C(O)C2,1,GDB ChEMBL
317316,O=CC1CN=C2CCOC(CO)CN21,0,GDB ChEMBL
348869,C=CC=C(C#CCO)CC(C)OC,0,GDB ChEMBL
300934,CC(C)C1CCC2(CCCC2)CCC(C)(C)C1,0,GDB ChEMBL
88139,CCC(C[NH3+])C1C(C)C([NH2+]C)C1O,0,GDB ChEMBL
193747,CCC(CC)C1CC(CC)[NH+](C)C1C(C)OC,0,GDB ChEMBL
11388,CCCCC1C([NH3+])CC2CCC(CC)C1C2,0,GDB ChEMBL
395648,CC1C2CC(N(C)C(=O)C[NH3+])CN12,0,GDB ChEMBL
135374,CCC1CC2CCC(C(C)C)CC2(C)[NH2+]1,0,GDB ChEMBL
149932,C#CC(c1ccc(Br)cc1C)C(C)C,1,GDB ChEMBL
121734,N#CCC1NC(=O)COC(C(N)=O)C1=O,0,GDB ChEMBL
353208,CCCCC1CC2C3CC(C)C1[NH+]32,0,GDB ChEMBL
315153,CC1(C)CC(C[NH3+])C=C1C#N,0,GDB ChEMBL
189896,COC(=O)NCCCOC1CC([NH3+])C1,0,GDB ChEMBL
375458,CNC(=O)C(O)C1NC(=[NH2+])C1C,0,GDB ChEMBL
202815,CC1NCC2[NH2+]CC(C(=O)[O-])C2(O)C1O,0,GDB ChEMBL
69615,Cn1ccc(CCC(O)CC(=O)S(=O)(=O)[O-])n1,0,GDB ChEMBL
171875,NC(=[NH2+])N1CC2OC(C(=O)CO)C1C2C(N)=O,0,GDB ChEMBL
121121,NC(=O)C1[NH2+]C2CC1CC2O,0,GDB ChEMBL
394235,CCCC1=CC2CN(C)CC(=O)C2[NH2+]C1C,0,GDB ChEMBL
296069,CCC1C(CC)C1COCC[NH3+],0,GDB ChEMBL
127296,CCCC1CC2CC[NH2+]CC=C12,0,GDB ChEMBL
300118,CCC1C(C)C2CCC2C(C)C2CCCC12,0,GDB ChEMBL
313704,C#CCCC(C)c1c(Cl)cc(Cl)cc1CCC,1,GDB ChEMBL
251012,C[NH2+]CC1CC(CO)=CC1OC,0,GDB ChEMBL
209663,CC12CCCC(CCCCCC(=O)CC1)CC2,0,GDB ChEMBL
113578,[NH3+]C12CC(C(=O)[O-])OC13CNS(=O)(=O)C23,0,GDB ChEMBL
73816,CC1CC[NH2+]C2(C(N)=O)C(O)C([NH3+])CC12,0,GDB ChEMBL
390118,NC(=O)OC1CC2COC(=[NH2+])NC1C2O,0,GDB ChEMBL
324045,CC1C=CC(C)C1(C)CCO,0,GDB ChEMBL
345842,C[NH2+]CC(C)N(C)CCC=O,0,GDB ChEMBL
180007,CCCC1C2C(C)[NH+](C)C(C)CC12CC,0,GDB ChEMBL
92911,CC#CCC(C)Cc1ccc(F)cc1F,1,GDB ChEMBL
278828,C[NH2+]CCNC1=C(C(N)=O)C=CC1,0,GDB ChEMBL
247362,COC12C[NH2+]CC(O)C1CC([NH3+])C(O)C2,0,GDB ChEMBL
17347,COCC1CCC(CO)CCO1,0,GDB ChEMBL
337071,CC1C2CC3[NH2+]CC1C3CC2O,0,GDB ChEMBL
26795,CNC(C[NH3+])CC1(C#N)NC1CO,0,GDB ChEMBL
184698,CCc1c(O)cc(Cl)c2c(O)cccc12,1,GDB ChEMBL
274842,CN(CCO)C1C(=O)OC1CO,0,GDB ChEMBL
218308,COC(=O)C1OC(=N)C1CCCO,0,GDB ChEMBL
227567,COC(=O)NCC(C(N)C[NH3+])n1cncn1,0,GDB ChEMBL
97715,CC1C2CCOC1C(C1CC1)OC(=O)CC2,0,GDB ChEMBL
378103,CCC1=C2CC[NH2+]CCC([NH3+])C(C1)C2OC,0,GDB ChEMBL
105099,CC1CC2C(CC3CCC[NH+]32)C1O,0,GDB ChEMBL
354757,CC1CCC2=C(C1)C(=O)OC2,1,GDB ChEMBL
92320,CC([NH3+])(COC1CNC(=O)OC1)C(=O)[O-],1,GDB ChEMBL
3802,C#CCCC(CC(C)=O)C(C)C(C)CC,0,GDB ChEMBL
328929,CN1C2CC(O)C1C(C#N)C2N,0,GDB ChEMBL
6043,CCCCC1C2CC2C2(CC2)C2CC12,1,GDB ChEMBL
306372,COc1cncnc1C(O)(C[NH3+])C(=O)[O-],1,GDB ChEMBL
323164,CC12CC(NCC(N)=O)=[NH+]C1C2(O)C(=O)[O-],0,GDB ChEMBL
305836,[NH3+]CCC(CO)c1ncon1,1,GDB ChEMBL
353236,C[NH2+]C1(C)C2CC([NH3+])C(C(=O)N2)C1C(=O)[O-],0,GDB ChEMBL
338860,CCCC12C(CO)[NH2+]CCC1(C)CCC2(C)O,0,GDB ChEMBL
236549,C#CC1=CCC(CCC)C(C)(C)C1,1,GDB ChEMBL
366748,CC#CC1[NH2+]C2CCCC(C)C2C1C,0,GDB ChEMBL
372680,C#CCC(C)(CO)N(C)c1cccc(C)c1,1,GDB ChEMBL
125637,C1=CC[NH2+]C2(CC1)CC[NH+]1CCC(C1)OC2,0,GDB ChEMBL
389375,COC(C)COCC(C[NH3+])[NH+]=C(N)N,0,GDB ChEMBL
2102,CC#CC(=NC)N(C=O)CCCOC,0,GDB ChEMBL
34995,O=Cc1c(C(=O)[O-])coc(=O)c1CCO,0,GDB ChEMBL
61686,N#CC1CC(C[NH3+])C(=O)O1,1,GDB ChEMBL
387099,C[NH+]=c1ccc(C(O)C[NH3+])c(C(C)C[NH3+])[nH]1,0,GDB ChEMBL
40050,C#CC1=CC(CC(C)=O)CC1,0,GDB ChEMBL
48013,CC1=C(CCC#N)CC(O)C1,1,GDB ChEMBL
39721,CC1CCOCC2[NH+]=C(N)C1C2(C)O,0,GDB ChEMBL
363761,COC1C([NH3+])C2C3C1OC(=O)NCC(=O)N23,0,GDB ChEMBL
391596,CCC(C)(O)C(COC)C(C)(C)C1(C)CC1,0,GDB ChEMBL
41336,CN(C=O)C(=O)c1sccc1CC(C)(C)O,1,GDB ChEMBL
182257,CN(C(=[NH2+])CC#N)C(CO)CC=O,0,GDB ChEMBL
366929,C=C1C[NH+](C(CC)CO)C1C1CC1,0,GDB ChEMBL
300912,COC(C#N)C(C#N)(C(=O)[O-])C1CCCC1=O,0,GDB ChEMBL
336087,CCCC1CC1(C)[NH2+]C1CC1,0,GDB ChEMBL
26851,CCCC(C)(C)C1C=CC(OC)C1,0,GDB ChEMBL
358440,C#CC1=CC(C2CCCC2)[NH+]2CCCCC12,0,GDB ChEMBL
48469,CC(=O)C1CNC(=[NH2+])C(C)[NH+]2CCCC1CC2,0,GDB ChEMBL
233466,C#CC12CC(CCN1C(N)=O)C(O)C2[NH3+],0,GDB ChEMBL
61840,COC(=O)C1NC(=O)C(O)C1C=O,0,GDB ChEMBL
177237,COCCCC(C)[NH2+]CC(=O)[O-],1,GDB ChEMBL
69639,CC1CC(C=O)C(=O)N(C(N)=O)C(=O)N1,1,GDB ChEMBL
249439,CC1CC2(C(C)[NH3+])CCCCC2C1(C)O,0,GDB ChEMBL
341862,CCc1ccc(C2CCC=CC2C)cc1F,1,GDB ChEMBL
360847,C=C(C)C1CC=C2C(C)CCC21C,0,GDB ChEMBL
319201,N=C1CC([NH3+])(CCO)C(=O)N1,0,GDB ChEMBL
157703,C#Cc1cc(F)ccc1CCC1C(C)C1C,1,GDB ChEMBL
48740,NC(=O)CCN1CC(N)CC(O)C[NH2+]CC1=[NH2+],0,GDB ChEMBL
341126,Nc1cc(=O)n(CC(=O)[O-])cn1,1,GDB ChEMBL
288473,COC1CC=C2C1C1CC2[NH+](C)C1C,0,GDB ChEMBL
204190,CC1C(O)CC2OC(=O)C2C1C,0,GDB ChEMBL
342594,C[NH2+]C1CC1OC1(C(C)C)CCC(O)C1,0,GDB ChEMBL
165973,CC1NC(=O)CC2C(C#N)C12O,0,GDB ChEMBL
29663,[NH3+]CCCNC(=O)CCc1nsnc1[O-],0,GDB ChEMBL
6554,CCCC1(OC)C=CCCC1=O,1,GDB ChEMBL
39997,CCC1(C)C2CC([NH3+])C1C(N)C[NH+](C(C)C)C2,0,GDB ChEMBL
321818,C[NH2+]Cc1ccc(OC)c(C)c1I,0,GDB ChEMBL
157464,CC(C)(C)[NH2+]CC(N)CCCO,0,GDB ChEMBL
169487,CC[NH2+]CCC1CCO1,1,GDB ChEMBL
59615,CCC(C)C1(C)CC(C)C(C)(CC)C(C)C1,0,GDB ChEMBL
332710,NC(=O)C1(O)C(C(=O)[O-])OC(CO)C1O,0,GDB ChEMBL
385603,C[NH2+]C1CC2CCCC(CCO)(CC1=O)[NH2+]C2,0,GDB ChEMBL
184132,CCC1C[NH+](C)CCC2(CC)CC1CCC2C,0,GDB ChEMBL
72390,CC(=N)Nc1nc(N)c(CNC(N)=O)s1,1,GDB ChEMBL
379415,CCc1c(I)ccc2nc(C[NH3+])ccc12,0,GDB ChEMBL
245523,CN1CCC(O)C(NC=O)CS(=O)(=O)C1=N,0,GDB ChEMBL
318127,N#Cc1ccnc(C(N)=O)n1,1,GDB ChEMBL
38170,CC#CCC[NH2+]CC1CC1,1,GDB ChEMBL
26591,CCC(C)(C)CCc1c(CO)ccc(C)c1F,1,GDB ChEMBL
372567,NC(=O)CC(Cc1cnc(C(N)=O)s1)=N[O-],0,GDB ChEMBL
288426,CC#CC12CCC(CC1)[NH+](C)C2,0,GDB ChEMBL
55560,C#CC1([NH2+]C)CC[NH2+]CC1,0,GDB ChEMBL
69633,C[NH2+]CC1CC2C(O)C2(C([NH3+])C(N)=O)O1,0,GDB ChEMBL
53320,CCCC#CC(C)(C[NH3+])CC(C)O,0,GDB ChEMBL
77870,CC1CCC(C(C)(C(=O)[O-])C(C)C)CC(=N)O1,0,GDB ChEMBL
355798,CCC([NH3+])C1C2CCC21,0,GDB ChEMBL
81138,CC1CC2CCCCCC1(C)C(C#N)CC2,0,GDB ChEMBL
13845,CC1CCC2(C)CC(C)[NH+](CC1C)C2,0,GDB ChEMBL
143203,CCNC(=O)Oc1scnc(=O)c1C[NH2+]C,0,GDB ChEMBL
230274,C[NH2+]C(COS(N)(=O)=O)C(O)C1(C=O)CC1,0,GDB ChEMBL
173737,CNC(=O)NCC(=O)Nc1nc[nH]c1O,1,GDB ChEMBL
207394,CC1CC(O)C2OCOC2C(=O)N1,1,GDB ChEMBL
372143,CCCC1CC=C2C3CCCCCC(C3)C21,0,GDB ChEMBL
57259,[NH3+]C1CCC(O)C(CC(=O)[O-])C[NH2+]CCOC1,0,GDB ChEMBL
160315,Cc1cc(CCC2(C)OCC3CC2C[NH2+]3)co1,0,GDB ChEMBL
301484,COCC(CCCO)(CC(N)=O)[NH2+]C(C)CO,0,GDB ChEMBL
205814,COCC([NH3+])CC1(C[NH+]=C(C)N)CCCOC1,0,GDB ChEMBL
297042,NC1C=C(NC(=O)CO)COC1=O,0,GDB ChEMBL
13166,[NH3+]CCC#CC=CN1CCNC1=O,0,GDB ChEMBL
120393,CCC(C[NH3+])(CC[NH3+])C(C)C,0,GDB ChEMBL
398895,Cc1cccc2cc(Cl)c3c(c12)C1CCC3C1,0,GDB ChEMBL
141747,CNC(=O)C12CCC(C)(C)CC1(C)CC[NH2+]2,0,GDB ChEMBL
103445,CC[NH2+]CC1C(CC)C1C[NH+](C)CC,0,GDB ChEMBL
368488,CCC1CC(=O)OCC(=[NH2+])NCC=C1C,0,GDB ChEMBL
143187,Nc1c(C[NH3+])nc(OCCO)c2cncn12,0,GDB ChEMBL
135380,Nc1nc(O)cc(O)c1CC(O)C(=O)[O-],0,GDB ChEMBL
341130,CC1CCC=C2CC(C)(C)CC(C)CC2C1,0,GDB ChEMBL
321425,COC1CCc2[nH]c(=O)c(C(N)=O)c([O-])c21,0,GDB ChEMBL
121725,C#CC1CCCCC=CCC1CCC,0,GDB ChEMBL
119260,O=C1NC=CC1CCCCCO,0,GDB ChEMBL
133342,C#Cc1c[nH]c2cc(N3CC3)c(Br)cc12,1,GDB ChEMBL
322886,COCC1(C(F)(F)F)C[NH2+]C(C(C)C)CC1C,0,GDB ChEMBL
360806,CCC1(CCNC=O)OC1C(=O)NC,1,GDB ChEMBL
323939,C#CC1(C)CCC(C)CC2[NH2+]CCCCC2C1,0,GDB ChEMBL
1089,[NH3+]CC1CC(O)CC([NH3+])C1O,0,GDB ChEMBL
251009,CC1OCOC1C(O)C[NH3+],0,GDB ChEMBL
22478,[NH2+]=CNC1C(=O)NCC(CO)OC(C[NH3+])C1O,0,GDB ChEMBL
312564,CC#CC1=CC(CC)C([NH2+]C)C1,0,GDB ChEMBL
279967,CC[NH+]1CC2C=CC1CC1OC21,0,GDB ChEMBL
98541,C1=CC=CCCCC=C1,1,GDB ChEMBL
274045,C#Cc1ccc(CCC(C)(C)C)c(=O)c(C)c1,1,GDB ChEMBL
61753,CC1(C(=O)[O-])C(=O)OCC1C#N,0,GDB ChEMBL
112838,C[NH2+]C1CCCC2(O)C[NH2+]CC2CC1,0,GDB ChEMBL
223507,Nc1cc(C(=O)[O-])nc2onc([O-])c12,0,GDB ChEMBL
11223,C=C(C)Cc1c(C)cc(CC)n1C,1,GDB ChEMBL
206938,CC1CC(O)C2C3C[NH2+]C(C)(CCCO3)C2C1,0,GDB ChEMBL
18814,N#CC1(C(NC=O)C([NH3+])C(=O)[O-])CC1O,0,GDB ChEMBL
151815,C#CCC(COC)[NH+]1C(C)CN(C)CC1CC,0,GDB ChEMBL
137448,C#CCC(C=O)(CC)CCCC(C)CC,1,GDB ChEMBL
79273,CNCC1CC(C)(OC)C[NH2+]1,1,GDB ChEMBL
50259,COC(=O)C1CCC(OCC(O)CO)C1C,1,GDB ChEMBL
644,CC1[NH2+]C2CC(=O)C2C1CCC(=O)[O-],0,GDB ChEMBL
156728,NC(=O)N1CC(CO)CC(=O)CC1=O,1,GDB ChEMBL
127733,CCC1C=C(C(O)C2CC2)C(C=O)[NH2+]1,0,GDB ChEMBL
144578,CNC(C#N)C1C(C(C)=O)C(=N)NC(=O)N1C,0,GDB ChEMBL
59674,C=CC1CC([NH+](C)C)C(O)C=C1C,0,GDB ChEMBL
320458,CCC1CC12CC(C)[NH+]1CCCCC12,0,GDB ChEMBL
143514,CCC(CO)[NH2+]Cc1ccc(Cl)c(C=O)n1,0,GDB ChEMBL
78296,C#CCCCCCc1c(I)ccc(I)c1CC,1,GDB ChEMBL
332404,CC1C2CCC(O)(C2)C1C(N)=O,1,GDB ChEMBL
180064,CCOC(C)Cc1ccc(OC(C)=O)nc1Cl,1,GDB ChEMBL
235898,CCC#CCC1(N(C)C(N)=O)CC1C[NH3+],0,GDB ChEMBL
57291,CC1=CCC2COC1C([NH3+])C2,0,GDB ChEMBL
261342,CCOCCN1CC1C(C)(C)O,1,GDB ChEMBL
273684,CCC1C(C)CCC12CCCC(C)C2C(C)O,0,GDB ChEMBL
292301,COCC1(O)CC1(C)c1ccncc1N,0,GDB ChEMBL
147379,CC(CC[NH+]1CCCC1)C1C=CC2C(C)C12,0,GDB ChEMBL
376978,CC(C)C(C)CC(C)C1(C)CCCC1C(C)C,0,GDB ChEMBL
75467,CCCC=CC1CC(CO)=CC1=O,1,GDB ChEMBL
356538,C#CC1CC1(C)N(C)C(=O)C(N)=O,0,GDB ChEMBL
215289,CC(=O)NC12CCCC1OC1(CC1)C2[NH3+],0,GDB ChEMBL
391267,C=C(C)C1CC=CC([NH+](C)C)C1C,0,GDB ChEMBL
195184,C#CCN1CCNC(=O)C(CC)(CC)OC1=N,0,GDB ChEMBL
140321,CCC(O)C1C2CCC(C)CC21,1,GDB ChEMBL
391271,CCNC(=O)C12CNC(=[NH2+])N1CC2(C)O,0,GDB ChEMBL
127659,CS(=O)(=O)NC(N)=NC1CC1C(=O)[O-],0,GDB ChEMBL
361668,C=CCC(CC)C(CO)OCC#N,1,GDB ChEMBL
240838,CCC1(C)CC(C)CC2CC(C)[NH2+]C21,0,GDB ChEMBL
97165,CNc1cocc1NC1CC1,1,GDB ChEMBL
18706,C[NH2+]C(C#CCCO)(COC)CC(C)=NO,0,GDB ChEMBL
282200,CCC1[NH2+]CC2COC2CC1CO,0,GDB ChEMBL
168427,Cc1cc(F)c(C(N)=[NH2+])c2c(C)n[nH]c12,0,GDB ChEMBL
103473,CNC(=O)C1C([NH3+])C1(N)C=CCO,0,GDB ChEMBL
92908,CCC[NH+]1C2CCC3C(C(C)C2)C31,0,GDB ChEMBL
84254,C#CCC1(C)CC(=O)NC(=N)N1C(N)=O,0,GDB ChEMBL
27807,CCC1(C(N)=O)C(=O)NC(=O)NC1(C)C,0,GDB ChEMBL
252073,CNC(=O)C1(C(N)c2ncco2)CCOC1,0,GDB ChEMBL
170415,CC1CC2OCCC3(C)CCCC1(C)C23,0,GDB ChEMBL
318545,CCC1CNc2ccsc2C1,1,GDB ChEMBL
309212,CC#CC(=[NH2+])N(C)CCNS(=O)(=O)CC[NH3+],0,GDB ChEMBL
115547,C[NH2+]CCOc1cc(O)nc(N)c1[N+](=O)[O-],0,GDB ChEMBL
50324,CC1NC(=O)C(=O)NC1C(N)=O,1,GDB ChEMBL
136027,CC1C[NH+]2CCC3(CO1)C(C)C23,0,GDB ChEMBL
302301,CC(CO)(CCCC(N)=O)C[NH2+]CCO,0,GDB ChEMBL
93428,CCCCCC1OCCCO1,1,GDB ChEMBL
330061,CCC[NH+]1CC2C(C)C3CC2C31,0,GDB ChEMBL
83545,CNc1nonc1CC(O)C[NH2+]CCO,0,GDB ChEMBL
338625,CC(=O)C12CC(CCOC(C)C1)CC2O,0,GDB ChEMBL
301447,CC[NH+](C)CC1(C)CCC(C)C1O,0,GDB ChEMBL
274861,O=C(C1CC1)N1CC=CC1,1,GDB ChEMBL
252589,CC=C(C)C1(C)C(O)CC(=O)N1C,0,GDB ChEMBL
90350,OC1C=C2CCCC(CC3COC1C3)[NH2+]C2,0,GDB ChEMBL
195198,C=CCc1cc(F)ccc1C1CC1,1,GDB ChEMBL
73292,C[NH+]=C(N)NCC1CC1OS(N)(=O)=O,0,GDB ChEMBL
190846,CC(O)C1OC(=O)C(N)C(O)C1O,1,GDB ChEMBL
41322,C=CCC(=CCCC)CC1CC1C,1,GDB ChEMBL
320488,CC(C)C1CC(C)(O)C(C)(C=O)CC1C,0,GDB ChEMBL
375501,CCC1(C)CC1C(C)(C)O,1,GDB ChEMBL
307514,C[NH2+]CC1CCC2C1N2C(C)=O,0,GDB ChEMBL
315246,CC(CC#N)(CC1(C)OCCO1)NCC(N)=O,1,GDB ChEMBL
16483,Cc1cc(I)c(C(F)(F)F)c(C(=O)C#N)c1N,1,GDB ChEMBL
272529,CC1=CCC(C)CC2(C)CC1(C=O)C[NH+]2C,0,GDB ChEMBL
281823,N#CCC1OC(=O)N(C2COC2)CC1=NO,0,GDB ChEMBL
177179,C1=CC2(CCCC2)c2c[nH]c3cccc1c23,1,GDB ChEMBL
396760,N=C(NCC(O)CC(N)=O)S(N)(=O)=O,1,GDB ChEMBL
309664,C#CCCc1cc(C#N)c(I)c(C)c1OC,1,GDB ChEMBL
63091,COC1(C(C)O)C(C)(N)C1([NH3+])CCC(=O)[O-],0,GDB ChEMBL
273417,C#CCNC1C=CCC(=O)C1OC,0,GDB ChEMBL
317733,CCC1CC2C3C(C[NH+]2C1)C3C1CCCC1,0,GDB ChEMBL
134773,CC(CO)C1C2CCCCC21C,0,GDB ChEMBL
320754,CCC1(c2c(Br)ccc(C)c2C)CC1,1,GDB ChEMBL
182502,N#CCC1CC#CC(C[NH3+])CCS(=O)(=O)N1,0,GDB ChEMBL
107663,CCc1csc(CC2CN(C(N)=O)C2)c1,1,GDB ChEMBL
166396,CC1COC(C(O)C([NH3+])C(=O)[O-])S(=O)(=O)N1,0,GDB ChEMBL
349639,FC(F)(F)c1ccncc1Cl,1,GDB ChEMBL
210419,CCC[NH+]1CC=C(CC(C#N)CO)C1,0,GDB ChEMBL
112087,CC(C)(O)C1OC(=O)C1C(N)C(N)=O,1,GDB ChEMBL
238136,NC(=O)C1CCCC(=O)OC1,1,GDB ChEMBL
311365,CC([NH3+])CN1C(C#N)C1CC[NH3+],0,GDB ChEMBL
126870,OCc1c(F)ccc2cc(F)c(F)cc12,1,GDB ChEMBL
60607,[NH3+]CC(O)C1C[NH2+]C2CCC(O)C(CN1)C2,0,GDB ChEMBL
379907,CCCCC1CC(C)C2CCCC2C1CC,0,GDB ChEMBL
156096,C#CC1C=CC([NH2+]C)CC(C)OC1=O,0,GDB ChEMBL
394941,C=C1CC(O)C2(CCC[NH2+]2)C1C[NH3+],0,GDB ChEMBL
204332,COC(=O)C(NCC(C)[NH3+])C(C)(N)C[NH3+],0,GDB ChEMBL
92857,CN(C)S(=O)(=O)CNC(=O)CO,1,GDB ChEMBL
354589,CC#CC1(CC)OC1c1nc(C)cs1,1,GDB ChEMBL
251435,CC(C)C1C2CC(O)CC([NH+]1C)C(C)(C)N2,0,GDB ChEMBL
358234,[NH3+]CC1Cc2nocc2OC(=O)N1,0,GDB ChEMBL
66644,CC1CC2(C)CC(C)C1C[NH2+]2,0,GDB ChEMBL
308126,C1C[NH2+]C2C3CC3C(N1)C1OC21,0,GDB ChEMBL
184075,CNc1cc(C#N)cnc1CC(N)=O,1,GDB ChEMBL
80352,Cc1nc(CO)cn1C(C#N)C(C)(C)[NH3+],0,GDB ChEMBL
55490,Cc1[nH]ccc1CC1CCC2CC[NH+]1C2C,0,GDB ChEMBL
67382,C[NH2+]C(C)C1NC(=O)NC1C(O)C[NH3+],0,GDB ChEMBL
235583,CC(=O)C(C)CC1OCCOCC(=O)NC1C,0,GDB ChEMBL
124172,CCC[NH2+]CC1C=CC2N(C)C12C,0,GDB ChEMBL
217363,CC(O)C1C(C)CC(C)(O)C2CN12,0,GDB ChEMBL
67641,CC1=CC(O)C(C(=O)N(C)C)C2C1C2(C)C,0,GDB ChEMBL
199019,CC1OC(CC(=O)[O-])C1([NH3+])CO,0,GDB ChEMBL
71691,Cc1ccc(C(N)C(N)C(N)(C#N)C(=O)[O-])o1,0,GDB ChEMBL
358241,CC1C2NC3CC(C2C#N)[NH+]1C3,0,GDB ChEMBL
94836,CCOc1cnc(CC)c(C#N)c1I,1,GDB ChEMBL
2995,C#CC1(C#C)CCOC(CC)CCC1CCO,0,GDB ChEMBL
114764,CC1[NH2+]CCCC(=O)NC1CO,0,GDB ChEMBL
288552,CC#CC(C(N)=O)c1cccc(C)n1,0,GDB ChEMBL
341191,CCC(Cc1c(C)cc(C)c(C)c1F)NC=[NH2+],0,GDB ChEMBL
328845,CC(=O)CC(O)C1(C#N)C[NH2+]CCC1C,0,GDB ChEMBL
338847,CCCC(=O)CC(O)CC1C[NH2+]C1,0,GDB ChEMBL
157491,CC1C([NH3+])CC12CNC(=O)N2C,0,GDB ChEMBL
198687,CC(O)C1CC(=O)NC(=O)OC=N1,0,GDB ChEMBL
143159,CCCCC1(CCC2=CCCC2)CC=CC1,1,GDB ChEMBL
331742,CCC(C#N)C1CC[NH2+]CC(C(O)C[NH3+])O1,0,GDB ChEMBL
142340,CC12CCCCC(C1)C(=O)C2CO,1,GDB ChEMBL
78335,CCC1C2C(C)CCCC3C2N3C1C[NH2+]C,0,GDB ChEMBL
215325,CCC1(C)Cc2cc(Cl)ccc2C(C)(CC)C1,1,GDB ChEMBL
257528,C#Cc1cc(C)c(I)c(O)c1,1,GDB ChEMBL
102145,CC1C([NH3+])CCC([NH3+])CN1C(C)(C)C,0,GDB ChEMBL
214929,C#CC12CC([NH3+])(CC1OC(=O)CCC)C2,0,GDB ChEMBL
328932,CC(NC(N)=[NH2+])C1C[NH+]=C(N)O1,0,GDB ChEMBL
111904,NC(=O)NC1C(=O)NC2CCOCCOCC21,0,GDB ChEMBL
336576,CCOCC1C2C=CCC(CC)C21,0,GDB ChEMBL
78348,COCC[NH2+]CCc1ccccc1,1,GDB ChEMBL
233931,CC1C(CS(C)(=O)=O)OC2(C(=O)[O-])COC12,0,GDB ChEMBL
389636,CC([NH3+])C1C([NH3+])C1NCCO,0,GDB ChEMBL
302601,C[NH+]1CCCC23CC2CCCOC3C1,0,GDB ChEMBL
50359,C#Cc1n[nH]c(C)c1CC,1,GDB ChEMBL
216534,CC1CCCCCc2cc(cc(Br)c2O)C1,1,GDB ChEMBL
271066,CCC(C)CCCC(C(C)O)C1COCC1O,0,GDB ChEMBL
103442,C#CC1C(C)[NH2+]C2COC1CCC2C,0,GDB ChEMBL
358275,CC(O)C(CO)[NH+]1CCC(O)C(C)C1C(C)O,0,GDB ChEMBL
104737,COC1CC2[NH2+]CC1C([NH3+])C2O,0,GDB ChEMBL
338836,CCC1CC(=[NH2+])N(CC(N)C#N)C1,0,GDB ChEMBL
11361,CCCC1(CC[NH3+])C(=[NH2+])NC1(C)CO,0,GDB ChEMBL
93468,COCCCNc1c(N)[nH+][n-]c(=N)c1F,0,GDB ChEMBL
115982,C#CCC1CC[NH2+]C1C1CCCC1=O,0,GDB ChEMBL
354640,COCC(C[NH3+])(C(=O)[O-])C(O)CO,0,GDB ChEMBL
346813,Ic1ccc(C2CC3CCC4CC34C2)cc1,0,GDB ChEMBL
174041,CCC1Cc2cc(C)cc(Cl)c2CN(C=[NH2+])C1,0,GDB ChEMBL
305811,CC(C)C1=CCCCCC1C1(C)CC1,1,GDB ChEMBL
207736,N#Cc1cnnn1CCOS(N)(=O)=O,1,GDB ChEMBL
227271,CC(=O)c1nsnc1OC1CC1,1,GDB ChEMBL
263471,CCC1NC(CO)C(=O)N2CC(O)C12CO,0,GDB ChEMBL
62087,COC1(C)CC(=[NH2+])NCC(N)CC(C)([NH3+])C1,0,GDB ChEMBL
313359,C[NH+]1CC2C=CC(CO)C(C2)C1,0,GDB ChEMBL
236035,N#CC(NC(N)=O)C12CC([NH3+])C(O1)C(O)C2,0,GDB ChEMBL
160004,CCCCC1C(C)C12CC=CC2,0,GDB ChEMBL
297220,CCC(C)(CC1(C#N)C=C(C)NC1=O)OC,0,GDB ChEMBL
118362,CC12CCC(CC[NH3+])(CCCC3OCCC31)C2,0,GDB ChEMBL
184139,CC1CC(OC2CC2)CC(O)C[NH+]1C,0,GDB ChEMBL
230477,C#CCN(C=O)CC(=O)[O-],1,GDB ChEMBL
147547,CCC(C)CCc1cc[nH]c1,1,GDB ChEMBL
62767,C[NH2+]C1C2CC3CC1OCC3(C)C2,0,GDB ChEMBL
181585,COCCCn1nc(OC)c(N)c1C,1,GDB ChEMBL
391431,COCC([NH3+])CCc1noc(=O)[nH]1,1,GDB ChEMBL
252107,CCC12CCCC[NH2+]C(CC)(CC1)C[NH2+]CC2,0,GDB ChEMBL
45052,N#CC1OC(C[NH3+])C(C2CC[NH2+]C2)OC1=O,0,GDB ChEMBL
236739,CCCc1ccc(F)c(CC#N)c1F,1,GDB ChEMBL
209681,CNC(CS(=O)(=O)N1CC1CO)C(N)=O,1,GDB ChEMBL
199091,N#CC1OC2C(CC(=O)[O-])NC(=[NH2+])OC12,0,GDB ChEMBL
115898,[NH3+]C1C2CC([NH3+])(CO)C1CC(=O)O2,0,GDB ChEMBL
204203,COC1OCC[NH+]2CC3C1C3C2C,0,GDB ChEMBL
305975,C#CC(CCCC)C(C)C1CCC([NH2+]CC)C1,0,GDB ChEMBL
76061,C#CCC(O)C1C2NC(C)CC[NH+]1CCC2[NH3+],0,GDB ChEMBL
134431,CCc1cc(CC)nc(C(N)=[NH2+])c1,0,GDB ChEMBL
227530,CCC(C)N1CCC(C)([NH3+])CC(C)C1C(C)[NH3+],0,GDB ChEMBL
208307,CCCC#Cc1nc(F)c2c(n1)CC([NH3+])C2,0,GDB ChEMBL
35019,[NH3+]C1COC(C(CO)OCCO)C1O,0,GDB ChEMBL
247338,C=CCC#CC=CC(=O)NCCC,1,GDB ChEMBL
294784,COC1CC(C)[NH+]=C(N)C1C(CC#N)C(=O)[O-],0,GDB ChEMBL
283955,CCOC(C(N)C#N)C(O)S(N)(=O)=O,0,GDB ChEMBL
186675,CNc1ccc(CCC2CC[NH2+]2)c(F)c1,0,GDB ChEMBL
307862,CCCN(C(N)=O)C(C)(C)CCC[NH3+],0,GDB ChEMBL
119283,CCCC(=NO)C1(C)CC(CC[NH+](C)C)C1,0,GDB ChEMBL
398195,N#CCC1C([NH3+])C(=O)N2CC12CCO,0,GDB ChEMBL
99627,CC1CC(O)(C(=N)NC(N)=[NH2+])C(=O)C(C)N1C,0,GDB ChEMBL
41145,CC(C)C1CCCC1CC(C)(C)C,1,GDB ChEMBL
28250,C=C1C(C)C=CCCCCCC1[NH3+],0,GDB ChEMBL
285109,COC(=N)CC(=N[O-])C(C)[NH2+]CCO,0,GDB ChEMBL
133321,CC12COCC1(O)C2C([NH3+])C(O)CC(N)=O,0,GDB ChEMBL
148910,CC1(C)NCC(=O)N(C(=N)N)C1C(F)(F)F,1,GDB ChEMBL
376965,C#CC(C#C)CC(C)C(CCC)C(CC)CC,0,GDB ChEMBL
266443,CC#CCCCc1c(Br)cnc2c1CCN2,1,GDB ChEMBL
182105,Nc1cc2c(c(F)c1F)C1CC(C=O)N2C1,0,GDB ChEMBL
7776,CN(c1ncc(O)c(O)n1)C(CC[NH3+])C(N)=[NH2+],0,GDB ChEMBL
336586,CCC1CC2CCCC(C)C(CC)(CCC2)C1,0,GDB ChEMBL
51078,CNC(=[NH2+])NCCC(O)c1cnc(O)nc1F,0,GDB ChEMBL
277858,CCCN(CC(=O)CC)C(=NCC)C(=O)OC,1,GDB ChEMBL
334479,CC(O)CCNc1c([O-])coc1C[NH3+],0,GDB ChEMBL
91186,CC(O)C1NCC(=O)C1[N-]S(=O)(=O)CC#N,0,GDB ChEMBL
38731,CCC(c1cc(Cl)c(Cl)cc1NC)C(C)(C)C,1,GDB ChEMBL
153232,CC1CCOC(C=NO)CCNC(=[NH2+])CC1,0,GDB ChEMBL
99398,CN1C(C(=O)[O-])C(NC(N)=O)C2(O)C([NH3+])C12,0,GDB ChEMBL
127881,CCC(C)(C)c1nccc(CCCC[NH3+])c1Br,0,GDB ChEMBL
277723,CCC1C2C3CCCCCC(CO)(CC3)[NH+]12,0,GDB ChEMBL
207368,CCC12CCC[NH+](C)C1C1C(C)C1C2,0,GDB ChEMBL
234437,CS(=O)(=O)CC(O)C1OC1C(O)C(N)=O,1,GDB ChEMBL
59590,CN1CCC2([NH3+])CC(O)CC([NH3+])C(CC1=O)C2,0,GDB ChEMBL
362959,N#CC1CC[NH2+]CCC(O)C(CO)N1,0,GDB ChEMBL
386693,COC(=N)N1C(N)=[NH+]CC1C(N)=O,0,GDB ChEMBL
330921,CN=C1NC(CO)CN1C=O,0,GDB ChEMBL
133030,CCC1(C)CCC(OCC(=O)[O-])(C(C)C)OC1,1,GDB ChEMBL
334356,CC1CN=CN2C(=O)C(CO)OC2=N1,0,GDB ChEMBL
323960,N=C(Nc1cc[nH]c(=[NH2+])n1)OCC(N)C[NH3+],0,GDB ChEMBL
271474,CC(C)(C)CCC(=O)c1ccc(N)c(Cl)c1,1,GDB ChEMBL
23664,CC(=O)NC12CC3CC3C(C1)N(C(N)=O)C2,0,GDB ChEMBL
45924,CC1(CC(=O)[O-])C2C3CC3C21,0,GDB ChEMBL
343228,CCCC(C)CC1C=CCC(C)CC1C,0,GDB ChEMBL
396083,NC(=O)C(O)c1cnc(N)cc1F,1,GDB ChEMBL
85846,CCC(C)C(C)(C)CC1CC2CCC1[NH2+]2,0,GDB ChEMBL
193234,CS(=O)(=O)[N-]C(=O)C1=NCCCO1,0,GDB ChEMBL
228910,N#CCS(=O)(=O)c1c[nH]nc1CCCO,1,GDB ChEMBL
247399,N=c1c([O-])cncnc1NC(=O)CO,0,GDB ChEMBL
356491,CC12OC(=O)NCC1C2[NH3+],0,GDB ChEMBL
387034,CCCCC(OC=N)c1cccc(OCC)n1,0,GDB ChEMBL
299148,O=C1NCCc2c([O-])noc21,0,GDB ChEMBL
245800,CCC1CCC2(C#N)C(OCC[NH2+]C)CC12,0,GDB ChEMBL
186766,CC1CC1(C)C(C)c1c(F)cccc1F,1,GDB ChEMBL
41167,[NH3+]C(C(=O)[O-])C1COC(=O)C(O)COCCO1,1,GDB ChEMBL
83501,O=C1NC(CO)C(=O)C2NC1CS2(=O)=O,0,GDB ChEMBL
122835,CC1(C)CCC#CC=CCCCC[NH2+]CC1,0,GDB ChEMBL
61245,CC1CC(C)C2OC(C(=O)N1)C2=O,0,GDB ChEMBL
3814,O=C1OCC2C(CCO)C(=O)N12,1,GDB ChEMBL
215878,CCCC(C)C(CC[NH3+])C(C)[NH3+],0,GDB ChEMBL
300452,CN1C(=O)CNCC(CO)NC(=N)C1=O,0,GDB ChEMBL
302322,OC1C2CC(C(CCn3cnnn3)[NH2+]2)C1O,0,GDB ChEMBL
118138,CCC1CCc2cccccccc1c2C=O,0,GDB ChEMBL
223278,C#CCC1OCC(C)CC[NH+](CCC)CC1C,0,GDB ChEMBL
318542,CC(=O)CNC(=O)C(CN(C)C=[NH2+])NCCO,0,GDB ChEMBL
128333,CC[NH2+]Cc1cnc(N(C=N)CCO)nc1F,0,GDB ChEMBL
389371,CCC1[NH+]2CC3C(O)C2CC31C,0,GDB ChEMBL
387303,CC1=CC2C(CC1)C(C(C)C)CC2(C)C,0,GDB ChEMBL
126847,CC1OC(=N)N(C(N)=[NH2+])C1C(=O)[O-],0,GDB ChEMBL
60939,CC(C)CC1CC(C(C)C)C2(CC2)C1,1,GDB ChEMBL
304301,C#CC1(C)OCC(O)CC(CCO)C1C[NH2+]C,0,GDB ChEMBL
51072,C#Cc1ccc(CCC#CC)c(Br)c1,1,GDB ChEMBL
248909,CC1(C(N)=O)NC(=[NH2+])NCCC1(O)C#N,0,GDB ChEMBL
124530,CC1C=CCC2(C)CC(C(F)(F)F)CC12,0,GDB ChEMBL
304154,CC(=O)c1nc(N)nc(C(N)=O)c1N,1,GDB ChEMBL
398985,C=CCC1CC(C)C2CC2CC1[NH3+],0,GDB ChEMBL
202522,C#CC1CC(C)(C(C)CC)C(C)CCO1,0,GDB ChEMBL
181726,CCCC(C)C1(C2CC2)OC1C,1,GDB ChEMBL
356546,CC(C)C(=O)CC(NC(N)=[NH2+])S(N)(=O)=O,0,GDB ChEMBL
152620,CC1CCC2CC(C2)[NH+](C2CC2)C1,0,GDB ChEMBL
138407,Cc1cc(Cl)cc2c1CC1(CCCC1)C2(C)C,1,GDB ChEMBL
228790,CNC1(C(=O)CCC(C)O)COC1,0,GDB ChEMBL
388270,CC(C[NH3+])Nc1cc(Cl)ccc1C[NH3+],0,GDB ChEMBL
176467,C#CC(C)CC1(CC(O)CC)CCCC(C)C1,0,GDB ChEMBL
341899,CC(O)CNCC(C)(N)C#N,1,GDB ChEMBL
23663,CNC(=O)NCC1OC(=O)CNC(C=O)C1C,0,GDB ChEMBL
300663,CC(O)C(C([NH3+])C(=O)[O-])C1(N)CC1[NH3+],0,GDB ChEMBL
207292,O=C1NC(=O)C23CC(O)COC2C3N1,0,GDB ChEMBL
222807,CCCCCc1cc(Br)c(CC)c(Br)n1,1,GDB ChEMBL
13779,CC(C)c1cc(=O)n(C)c(=O)ncc(N)co1,0,GDB ChEMBL
312888,CC(O)C1C2C3CCC12C(=O)O3,0,GDB ChEMBL
17111,COC1(C)CC(O)CC1(C)O,1,GDB ChEMBL
201724,COC12CC(=O)N3C(C[NH3+])CC1C32,0,GDB ChEMBL
27974,CC(O)C1C(=O)N(C(=N)N)C2CC12O,0,GDB ChEMBL
280851,CNC(=O)OCC(CC(O)(CO)CO)=N[O-],0,GDB ChEMBL
203154,COC(C)C(=O)N1C(C)C1CC[NH3+],0,GDB ChEMBL
397066,CC1C(CCCCO)C(C)C2C(C)C12,0,GDB ChEMBL
289383,C#CC1CC(C[NH3+])(CC(C)C)C1,0,GDB ChEMBL
308197,NC(=O)C(N)C(O)(C(=O)[O-])C([NH3+])CO,0,GDB ChEMBL
113565,CC1=CCC2(O)C(C#N)C2C(N)C(=O)N1,0,GDB ChEMBL
182117,CC(C)C(C)(C)[NH+]1CCC2(CO)CCCC1C2,0,GDB ChEMBL
101544,CC(=[NH2+])NCC(C[NH3+])(CC[NH3+])CC(N)=O,0,GDB ChEMBL
133998,C#CCC(C)C1C(C)C(C)CC(C)(OC)C1O,0,GDB ChEMBL
130867,CC[NH2+]C(C)C(O)(CC=O)C(C)=O,0,GDB ChEMBL
160358,CCC(C[NH2+]C)C1CN(C(C)=O)C1,0,GDB ChEMBL
118418,CC(C)C[NH2+]C(C)C1CCCC1(C)C[NH3+],0,GDB ChEMBL
23517,CN1C(=N)NC(=O)CC1c1nn[n-]n1,0,GDB ChEMBL
296031,CCCCCOc1[nH]c(C)cc1N,0,GDB ChEMBL
140840,CCCC(C#CC1=CCC(O)C1)CC(C)C,1,GDB ChEMBL
334688,CC1CC(C)C2[NH2+]CCC2C(C(C)C(C)O)O1,0,GDB ChEMBL
39784,C#CCC(C#N)N1CCOC(=N)C(N)CC1=O,1,GDB ChEMBL
132857,CCN(C(N)=O)C(C)C(N)(C[NH3+])C(=O)[O-],0,GDB ChEMBL
214873,CCC1(C)CC(C)CCC(O)C1C1C[NH2+]1,0,GDB ChEMBL
48501,CCC(C)C(=O)C[NH2+]C,0,GDB ChEMBL
21567,O=C(CCO)[N-]S(=O)(=O)OCCO,0,GDB ChEMBL
102332,Cc1ccnc2c1C1(CCO2)C2CCC1C2,0,GDB ChEMBL
65585,CC(=O)OC1C2COC3CC2[NH2+]C31,0,GDB ChEMBL
225045,C[NH2+]CC1=CC(CCO)=C(C)C(=O)CC1O,0,GDB ChEMBL
228324,N#CC1(c2ccccc2I)CCC1,1,GDB ChEMBL
301438,CCOC1=NC(CC#N)C(O)C(=N)N1CCO,0,GDB ChEMBL
83000,C#Cc1cc(C)ccc1CCCCC,1,GDB ChEMBL
334579,CC1CC(C2CC2)C2C(=O)OC(C)C12,0,GDB ChEMBL
252050,CC(C)C1(C#N)CCCc2scnc2C(=O)O1,0,GDB ChEMBL
266257,CC(O)C(=O)N1C=CCC2C[NH+](C)CC2C1,0,GDB ChEMBL
361811,C#CCC1CC(C)C2CC3CC(CC[NH2+]3)C2C1,0,GDB ChEMBL
382952,COC(=O)N(C=N)C(=O)N(C)C(C)C,1,GDB ChEMBL
33241,[NH3+]CCC1OCC=CC1NC=O,0,GDB ChEMBL
204601,CC#CCC(C)(OC)C([NH2+]CC)C(C)=O,0,GDB ChEMBL
348687,CC12CC(C3C[NH+]1CCN3)C(O)C2O,0,GDB ChEMBL
204187,CC1(O)CC2C3C(O)C[NH+](C1)C23CC(N)=O,0,GDB ChEMBL
246360,CC1CC2(C)CC3C[NH+]2C1CC3=O,0,GDB ChEMBL
255525,CNc1cc2c(c3[nH]cnc13)OCOC(C)C2,0,GDB ChEMBL
34940,CCC(=O)c1[nH]c(CO)nc1C,1,GDB ChEMBL
90293,CC1C(O)C1C1CNC(=O)C1,0,GDB ChEMBL
159708,COC(C)C(N)C(C)([NH3+])Cn1cnnn1,0,GDB ChEMBL
152578,CC1Cc2sc(N(C)C)nc2CN1CC#N,1,GDB ChEMBL
26407,N#CC(CO)OCCC(N)=[NH2+],0,GDB ChEMBL
18893,C#CCC1CC(CCC)CC2(C)C[NH+]1CC2C,0,GDB ChEMBL
42576,CC(=O)NC1C(O)C(O)C2OC12C(N)=[NH2+],0,GDB ChEMBL
29499,Cc1cc([NH+]=C(N)N)c(O)c(C(C)C)c1N,0,GDB ChEMBL
323143,CC([NH3+])CC(C)([NH3+])C(=O)[O-],0,GDB ChEMBL
272520,CC(O)C1C=CCCC2OC21C,1,GDB ChEMBL
11421,CC(O)C1OCC2(C(=O)[O-])OC1CC2[NH3+],0,GDB ChEMBL
362161,N#Cc1cnn2c(O)nc(O)cc12,1,GDB ChEMBL
389634,CC12CC3C([NH3+])C1CCN3C2,0,GDB ChEMBL
205927,CC1(C)CCCC=CCCC#CCCCC1,1,GDB ChEMBL
294183,CCCCOC(C)C1(C)CCOC2CCCC21,0,GDB ChEMBL
375705,CNC(C)C(=NCCO)NC(=N)OC,0,GDB ChEMBL
16017,O=C1CCNc2ncnc(n2)CCO1,1,GDB ChEMBL
17660,CC[NH+]=C(N)c1cccc(Br)c1N1CC1,0,GDB ChEMBL
173863,CCC1(C)C(C)CCCCC1C(C)C(F)(F)F,0,GDB ChEMBL
227950,CCCC(Cc1ccno1)OC,1,GDB ChEMBL
363581,CCCCC1CC2C3CCCCC[NH2+]C1C32,0,GDB ChEMBL
248915,CC1C2NC(=O)C13CC(=O)C2C3,0,GDB ChEMBL
330806,CC1C2OCCC2C1C(=O)[O-],0,GDB ChEMBL
34243,CC[NH2+]C1CC1C(O)C(C)C#N,0,GDB ChEMBL
263205,CC[NH2+]Cc1cnc(Cl)c(-c2cn[nH]c2)c1,0,GDB ChEMBL
217343,CC1=CCC(=[NH+]CCO)N1,0,GDB ChEMBL
301205,CCCCC1(C)CC2CCC(C2)CC1C,0,GDB ChEMBL
112865,C#CC1NCC2C(C1=O)C21CC[NH+](CC)C1,0,GDB ChEMBL
389380,C#CC(C[NH3+])C(O)C(C)CO,0,GDB ChEMBL
235910,CC[NH2+]C1C2CC1C2,0,GDB ChEMBL
330522,C#CCC1C(C)CCCCCC2CC(C)CC21,0,GDB ChEMBL
259703,CC1CC2CC(=O)C1NC1C(=O)OC21,0,GDB ChEMBL
190334,CC1(C)COCC(C(O)CCCO)C1,0,GDB ChEMBL
25110,CC([NH2+]CCN(C)C)C1COC2(C)CC12C,0,GDB ChEMBL
85805,CCC1(CCO)CC(C=O)C2(C)CC[NH2+]C2C1,0,GDB ChEMBL
34210,CC(O)Cc1cscc1S(=O)(=O)N(C)C,1,GDB ChEMBL
190386,CCc1c(Cl)c(Cl)cc(C)c1C1CCCC1,1,GDB ChEMBL
171849,CCC(C)(C)CC1(C)CC(C)CC(C)[NH+](C)C1,0,GDB ChEMBL
126593,CC(CN=C(CO)NCC(=O)[O-])=NO,0,GDB ChEMBL
370308,C[NH2+]CC1CC2CC2CCCC(C#N)CO1,0,GDB ChEMBL
355020,CC([NH3+])C1=CC([NH+]=C(N)N)CNC(=O)C1,0,GDB ChEMBL
124221,CC1NC(=O)CC2OCC3C1C23[NH3+],0,GDB ChEMBL
99601,CCC(O)(C[NH3+])CC[NH+](C)C,0,GDB ChEMBL
305592,CCN1C(=O)CCN(CC[NH3+])C1=O,0,GDB ChEMBL
81495,[NH3+]CCCOCC1CCn2c(O)ccc2C1O,0,GDB ChEMBL
235997,CC[NH+](CC(C)NC(C)=[NH+]C)C(C)C,0,GDB ChEMBL
42616,CC(OS(N)(=O)=O)C1C2C(O)CC(=O)N21,0,GDB ChEMBL
95552,C#CCN(C)C(CC)C1=[NH+]CCN1,1,GDB ChEMBL
98552,CCOC1(C)C(O)C12OC(=O)NC2C,0,GDB ChEMBL
330116,O=CNCC(O)C1CCC(CO)NS1(=O)=O,0,GDB ChEMBL
182078,CCC1C[NH2+]C2CC2(C(O)CC(N)=O)O1,0,GDB ChEMBL
358401,CCC1OC2CC([NH3+])CCC(O)C12,0,GDB ChEMBL
40882,CCCN=c1cccc(N)cc1S(=O)(=O)[O-],0,GDB ChEMBL
259079,CN(C(N)=O)C(=O)C(C#N)CN,1,GDB ChEMBL
252109,N#CCC(=N)N(CC(N)=O)CC1CO1,1,GDB ChEMBL
361763,O=CC1C=CCCC(=O)N1C1CC1,1,GDB ChEMBL
188106,CC(OS(N)(=O)=O)C1C(=O)NCC1O,1,GDB ChEMBL
119689,CCC(O)C1(CNS(C)(=O)=O)NCC1[NH3+],0,GDB ChEMBL
296050,Nc1c[nH]c(=O)c(NC(=O)CO)n1,1,GDB ChEMBL
53873,COC(=O)C1C2CCC3CCC4CCC1C342,0,GDB ChEMBL
34899,C#CC(CO)CCCOCC#N,1,GDB ChEMBL
342599,[NH2+]=C1NCCC2C=C(N1)C(=O)N2,0,GDB ChEMBL
354868,C=CCCC1OC(=O)C(=C)C(=O)O1,1,GDB ChEMBL
277083,NC(=O)CNC1C2OC(=O)C(O)C12O,0,GDB ChEMBL
160841,O=CNCC1(C(=O)[O-])NC2COC1C2,0,GDB ChEMBL
87676,COC(=O)C(C[NH3+])OC(N)=O,1,GDB ChEMBL
38220,C=C(C1C=CCO1)C([NH3+])C(C)CC,0,GDB ChEMBL
234860,NC(=[NH2+])OCCOCC([NH3+])C(=O)[O-],1,GDB ChEMBL
375178,CC[NH+]1CC2C3CC(O)C1C2O3,0,GDB ChEMBL
165966,Cc1cc2c(cc1F)N(C)CC2,1,GDB ChEMBL
374035,N#CC1(CO)C2NS(=O)(=O)C1C2C(=O)[O-],0,GDB ChEMBL
67836,CCC(C)C(C)C#CCCCC1CC1,1,GDB ChEMBL
229422,CCCC(CC=O)OC(=O)c1cncs1,1,GDB ChEMBL
277629,CCOC1CC2CC2CC(C)CC([NH3+])C1N,0,GDB ChEMBL
336636,CCN=c1[nH]cnc2ccc(Cl)c(C)c12,1,GDB ChEMBL
189899,CC12C([NH3+])C(=O)NC3C(=O)OC1C32C,0,GDB ChEMBL
309841,COCC1(n2ncnc2CC(C)(C)O)CC1,1,GDB ChEMBL
133977,CC[NH2+]CC1OC(C=N[O-])C(O)COC1=O,0,GDB ChEMBL
197095,COC(=O)NC1C(C)CC2C(C)CC21,1,GDB ChEMBL
108144,CN1CC(C#N)C(C=O)C1,1,GDB ChEMBL
298247,CC1CNC(=O)NC(=N)C1[NH3+],0,GDB ChEMBL
322817,CCC1CC2CC=C(C)C1OC2,0,GDB ChEMBL
317996,CC(C)(CCC(=O)[O-])n1nnc(C(=O)[O-])c1N,0,GDB ChEMBL
163395,COC1C(C[NH3+])CCCCC1(C)C,0,GDB ChEMBL
173876,NC(=O)N1C(C[NH3+])C2OCC1(C(=O)[O-])C2CO,0,GDB ChEMBL
305943,CC(OC(N)=O)C(C#N)NC(N)=[NH2+],0,GDB ChEMBL
298224,CCC1COCC(C)CC(C[NH3+])COCCO1,0,GDB ChEMBL
391448,CCC1CC2[NH2+]CCC1C1CCC(=O)CC2C1,0,GDB ChEMBL
225815,N#CCNC(=N)NC(=O)C1CC1(N)C[NH3+],0,GDB ChEMBL
251950,CC1OC2C(=O)NC3CC3CC(O)C12,0,GDB ChEMBL
358883,N=C(N)N(CC(=O)N1CC1)C(N)=O,1,GDB ChEMBL
383332,CC1C(C)C2N(C)C(=O)CC2(C)C1C,0,GDB ChEMBL
88118,CCCC1CC2(C)CC1(C)C(C)C2CC(C)C,0,GDB ChEMBL
47797,Cc1c[nH]cncc(CC[NH3+])cc1CCO,0,GDB ChEMBL
372539,NC(=[NH2+])NCC1([NH+]=C(N)N)CC([NH3+])COC1=O,0,GDB ChEMBL
115252,N=C1CC(OS(N)(=O)=O)CNC(=O)N1,0,GDB ChEMBL
358545,CCCC1C=CC2CC(CO)C(C)(O)C12,0,GDB ChEMBL
39905,NS(=O)(=O)CC12C(O)CCN3C(=[NH2+])NC1C32,0,GDB ChEMBL
50363,C#CCCc1ccc(Br)c(C#C)c1C,1,GDB ChEMBL
376004,COC(=O)CC(C)OC=N,1,GDB ChEMBL
132687,CC(C#N)CCC(C)C#N,1,GDB ChEMBL
307534,C#CC1=CCCCC(C)C12CCCC2,0,GDB ChEMBL
201720,NC1=NC(CC[NH3+])(CC[NH2+]CCO)CO1,0,GDB ChEMBL
223544,N#CC1NC(=N)OC1(CO)CO,0,GDB ChEMBL
146943,C#CCC(CCO)C([NH3+])C(O)c1cccn1C,0,GDB ChEMBL
42257,CC1C(C)(O)C1(CC(N)C[NH3+])NC(N)=[NH2+],0,GDB ChEMBL
317344,CC1CCCCC[NH+]=C(N)N1,0,GDB ChEMBL
80475,C[NH2+]C1C=CC(C[NH3+])C(CC2CC2)C1,0,GDB ChEMBL
317741,CNc1c(F)cc2c(N)c[nH]c(=O)c2c1CO,1,GDB ChEMBL
394346,CCC#CC(C#CCCCC)CC,0,GDB ChEMBL
26798,Nc1ncocc(C=O)c([N+](=O)[O-])cn1,0,GDB ChEMBL
207389,C[NH+]=C(C)N(CC#N)C1C[NH2+]C(C)CC1C[NH3+],0,GDB ChEMBL
195402,C#CC(C)c1ccc(OC)c(C)c1CCC,1,GDB ChEMBL
367672,CC1CC2C=CC1N1CC[NH2+]C2C1,0,GDB ChEMBL
228307,CNC1=[NH+]CC(C(N)=O)C1C(C)CO,0,GDB ChEMBL
55508,COc1ccnc(N=CNCC[NH+]=C(N)N)n1,0,GDB ChEMBL
120569,CCOC1C([NH3+])C(OC)C2CC=CC21,0,GDB ChEMBL
338976,NC(=O)N1C2CC([NH3+])C1C(O)C2O,0,GDB ChEMBL
58933,CC1CC2C#CCCCCC(C1)C2,1,GDB ChEMBL
274977,CCOC(C)C(C)(OC)[C-](C#N)C(=O)OC,0,GDB ChEMBL
376010,CCc1cc(F)nc(C[NH3+])c1OC1CC1,0,GDB ChEMBL
363244,C#CC1(C)C=C(C)CCC(CC)C1O,0,GDB ChEMBL
124120,CCC1([NH3+])CC2C(C)C1C[NH+]2CCCCC#N,0,GDB ChEMBL
367783,C[NH2+]CCC1(C(=O)C(=O)[O-])CCN1C(C)C,0,GDB ChEMBL
156781,CCOC(C)C1NCC(C=O)C(CO)[NH2+]C1C,0,GDB ChEMBL
143517,CC1(C)OCC(O)C1C1(C[NH3+])CC(C#N)C1,0,GDB ChEMBL
97739,Cc1cc(F)c2cccc(F)c2c1C,1,GDB ChEMBL
21445,CC([NH3+])CC(O)(C(N)=O)C([NH3+])C(O)CO,0,GDB ChEMBL
35291,CCNC(=O)C1C2C=C(C(N)=O)CN21,0,GDB ChEMBL
330505,CCCc1cc(C=O)ccc1F,1,GDB ChEMBL
252884,CNC(=N)N1C(=N)OCCOC(C[NH3+])C1=O,0,GDB ChEMBL
124547,CCCC12C(CCC1C(C)C)CC(C)C2OC,0,GDB ChEMBL
109599,CCCCCCN(C)C=O,1,GDB ChEMBL
251054,C#Cc1cc(C=C)cc(CC)c1Cl,1,GDB ChEMBL
228883,N=COc1nccc(N)c1CC[NH+]=C(N)N,0,GDB ChEMBL
73811,CCC1C(C)[NH2+]CCC(O)C1O,0,GDB ChEMBL
301536,CCc1ccc(C)c(Br)c1C(CC)C(C)(C)C,1,GDB ChEMBL
90312,C#CC1(O)COCC(C(N)=O)N(C)C1,0,GDB ChEMBL
136435,CCC1C(=O)CCC2C(CCCO)C2C1C,0,GDB ChEMBL
96041,C[NH2+]CC1C(C)CC(OCC[NH3+])C1(O)COC,0,GDB ChEMBL
318013,CCC1CC(C[NH3+])=CC=C(CO)C1,0,GDB ChEMBL
302459,C=CCC1=CC2CC1[NH2+]CCC2C,0,GDB ChEMBL
25223,O=C1NCC2OC13CC2CC3O,0,GDB ChEMBL
169392,O=C1CC(O)C2C=CC([NH+]3CCC3)CC2C1,0,GDB ChEMBL
77854,CCCC[NH2+]C12CCC(C)C1C2C(=O)[O-],0,GDB ChEMBL
397065,O=C([O-])C1=Cc2c([O-])cc(=O)oc2COC1,0,GDB ChEMBL
151068,CS(=O)(=O)NC1C(=O)C2NC1COC1CC12,0,GDB ChEMBL
1981,CCNC1=NCCCC(O)C1=O,0,GDB ChEMBL
55496,C[NH2+]CCCCc1oc(CO)nc1O,0,GDB ChEMBL
159694,CC#Cc1cc(Cl)c(Cl)c(Cl)c1C,1,GDB ChEMBL
143470,CCCC12CC[NH2+]C1C2C1CCCC1,0,GDB ChEMBL
331704,Cc1cc(Br)cc(C)c1C(N)=[NH2+],0,GDB ChEMBL
76063,CCc1cc(C(=O)[O-])sc1N,1,GDB ChEMBL
239963,CCC(=O)C1Nc2ccsc2C2C(CO)C12,0,GDB ChEMBL
65958,Cc1cc(Cl)cc(C(O)C#CC2([NH3+])CC2)c1,0,GDB ChEMBL
201671,CC[NH+]1CCC2CC3C(C1)C3O2,0,GDB ChEMBL
202506,COC1(C(=O)[O-])C2CC[NH2+]CC21O,1,GDB ChEMBL
394333,CC1(C[NH3+])OCC(O)C1(C)C#N,0,GDB ChEMBL
309203,CCC1C(CCO)[NH+](C)C2C(C)C12C,0,GDB ChEMBL
26967,C#CCC(C)c1c(C)c(F)c(F)c(F)c1CC,1,GDB ChEMBL
386633,CNC(=O)C1C(C(=O)[O-])N1C=[NH2+],0,GDB ChEMBL
348441,CC(CO)Nc1ccsc1CC[NH3+],0,GDB ChEMBL
131906,CCOC1C[NH+]=C(N)N(C)C1C(F)(F)F,0,GDB ChEMBL
269353,COCC1(NS(C)(=O)=O)C(O)C1NC=O,0,GDB ChEMBL
305137,CNC1C([NH3+])CC(C(C)O)C1[NH3+],0,GDB ChEMBL
134439,CC1CC2(C(=O)[O-])C(O)C=CC1(O)C2[NH3+],0,GDB ChEMBL
124273,Clc1cc(C2C=CCO2)ccc1C1CC1,1,GDB ChEMBL
103927,C#CC1(C)OC(=O)C(N)(CO)C2CC(=O)NC21,0,GDB ChEMBL
244667,CC1CC(C(=O)[O-])C[NH+]1C1(C)COC1=N,0,GDB ChEMBL
388281,C[NH2+]C(C(=O)[O-])C(C)(O)C1([NH3+])CN(C)C1,0,GDB ChEMBL
206791,CCCC1CC=CC2C3[NH+](C)CC(C1)C23C,0,GDB ChEMBL
336050,C#CC(C)CCC(C)(O)CCOCC,1,GDB ChEMBL
26855,CC(=O)NC1(C(C)[NH3+])CNC(=O)NCCC1O,0,GDB ChEMBL
194444,CCCC1=CC2(CN2)c2cc(Cl)ccc21,0,GDB ChEMBL
198690,O=CC1=CC(CCO)[NH2+]C1,0,GDB ChEMBL
228371,[NH3+]CC(O)C(=O)N1C2COC(=O)C21,0,GDB ChEMBL
375450,C#CC[NH+]1CCC(CCOC)=C(C(C)C)C1,0,GDB ChEMBL
218563,CCC#CC1(C)Cc2cccc(F)c2C1,1,GDB ChEMBL
98866,CCCC(=[NH2+])Nc1cc([O-])c(=O)[nH]n1,0,GDB ChEMBL
109200,N#CCCC(O)CCNc1cc([O-])no1,0,GDB ChEMBL
103483,Cc1c(Br)cc2c(c1CNC=[NH2+])OC(C)CN2,0,GDB ChEMBL
215876,CCCC1(CNC(=O)NC(C)C)CCC1,1,GDB ChEMBL
302300,CCC1(CC)C2CCC1(C)CC2,1,GDB ChEMBL
280474,CC(C)C(C)(C)[NH2+]CC(=O)C(F)(F)F,1,GDB ChEMBL
210267,CCOc1c(I)cc(O)c2c1CCCC2,1,GDB ChEMBL
308690,CNC(=O)CCC1CCC(C#N)(OC)C1=O,1,GDB ChEMBL
174656,O=CC(O)C1NC(CO)Cc2c(O)ccnc21,0,GDB ChEMBL
112029,CCCC(C)CC1(C)CCC(C)C1(C)O,1,GDB ChEMBL
200581,C=CC(CCCC[NH2+]C)N=COC,0,GDB ChEMBL
151185,C[NH2+]CC1(C2=C(C)C[NH+](C)CC2)CC1,0,GDB ChEMBL
156196,CCc1cccc2cc(ncc1)C=C(CO)O2,0,GDB ChEMBL
38905,COC1OC(=N)C2(N)CCNC(=O)CN(C)C12,0,GDB ChEMBL
101033,CC(=O)N1CC=CC12CCC2,1,GDB ChEMBL
179129,CCC1(CCC(C[NH+](C)C)C(C)[NH3+])CCC[NH2+]1,0,GDB ChEMBL
60933,C#CC1C2CCC=CC(C2CCC)C1OC,0,GDB ChEMBL
261319,CC1CCC2CC(C)(CC(=O)O2)C[NH+](C)C1,0,GDB ChEMBL
144548,CC1CCC2CC(CO)C3C1C[NH+]23,0,GDB ChEMBL
354343,C#CC1CC(C(C)C)OC(=O)C1OC,0,GDB ChEMBL
284326,COC(C(N)=O)C1[NH2+]CCN2C(C)C12,0,GDB ChEMBL
67599,CCC(CC)NC(=O)C(C)(CO)OC(C)CC,1,GDB ChEMBL
24730,CCCC1(C)OC2CC2C1O,1,GDB ChEMBL
70353,C[NH2+]C1(CO)CCCN(CC=O)C(C)C1,0,GDB ChEMBL
336012,CC(C)CC(C)(C)CCC[NH+]1CCN(C)CC1,0,GDB ChEMBL
262238,NC(=[NH2+])NC1C(=O)C=CC(C=O)C1CO,0,GDB ChEMBL
47417,Cc1nn(C)c2c1CC1CC=CC=CC21C,0,GDB ChEMBL
236031,CC(N)(CCO)C1C2C(O)CNC(=[NH2+])N21,0,GDB ChEMBL
375175,CC1NC(=O)CC2C=CCC1C(=N)O2,0,GDB ChEMBL
85861,CNC(=O)C([NH3+])C1C(C(=O)[O-])N1C(C)=O,0,GDB ChEMBL
49169,CC(O)C(O)C1C(C)CCCC1C#N,1,GDB ChEMBL
347897,CC1CC12CCc1cc(F)cc(F)c1C2,0,GDB ChEMBL
273696,CCCC(CC)Cc1ccnc(CC)n1,1,GDB ChEMBL
37657,CC1CC=CC(C2CC2)[NH+](C)C1C(C)(C)C,0,GDB ChEMBL
18794,CC[NH+]=C(C)N(C)c1ccncc1N,0,GDB ChEMBL
244502,CC1CC2C=CC3CC(O)C(CC1=C2)[NH+]3C,0,GDB ChEMBL
115557,C[NH2+]C1CC2OCOC(C)C2C(C)(O)C1,0,GDB ChEMBL
187223,CCC1C2=CCCC(C)CC1CC=C2,0,GDB ChEMBL
283233,[NH3+]CCC12CCC[NH2+]C1C2,0,GDB ChEMBL
184525,OC1COC2CC(C3(O)CCCC3)C[NH2+]CC12,0,GDB ChEMBL
372661,C#CCCC1=CCCC(CC2CC2)C1,0,GDB ChEMBL
238017,CCC1C=CCC2[NH2+]C(CN)CC(OC)C12,0,GDB ChEMBL
102184,CN=C(C)OCCC1CCCC1,1,GDB ChEMBL
99794,C[NH2+]C1(C)C(C(C)O)C1C(OC)C(C)C,0,GDB ChEMBL
304462,C#CC1CC(C)(O)CC(C)C(CC)C1O,0,GDB ChEMBL
157089,CCNc1cc(I)cc2nc(C)oc12,1,GDB ChEMBL
380310,CC(=O)C1N=C(N)C(O)C12[N-]C(=O)NC2=O,0,GDB ChEMBL
397067,CCC1(C2CC2)CC1[NH+](C)C,0,GDB ChEMBL
156153,COCC1(CN)[NH+](C)C(C)C(CO)C1(C)C,0,GDB ChEMBL
119287,CC(C)C(C[NH3+])(CO)C([NH3+])C(=O)[O-],0,GDB ChEMBL
263799,CCC(=[NH2+])NC1CCCC1(C)C(C)C,0,GDB ChEMBL
75078,CC1[NH2+]C2CCC(C)(C(CC=O)C2)C1O,0,GDB ChEMBL
362840,C=C(C#CCCCCCCC)CC,1,GDB ChEMBL
48763,[NH3+]C(CO)C1NC(=O)C2C1C2n1ccnn1,0,GDB ChEMBL
125639,CC1OC(=O)C(N)CC(=O)OC1C[NH3+],0,GDB ChEMBL
368176,CC1=CC2(C)C[NH2+]C(C2)C(C)CCCC1,0,GDB ChEMBL
193299,CC1CC=CCCC12CC2C[NH3+],0,GDB ChEMBL
334725,CC(C)C1C(CC[NH+](C)C)CC(C)C12CC2,0,GDB ChEMBL
26055,Cc1cccn2nc(O)nc12,1,GDB ChEMBL
392496,CCc1cc(I)c2c(c1)C(=O)CCCCC2C,1,GDB ChEMBL
24502,CCC1CCC2CC[NH+](CC1)C2(C)C,0,GDB ChEMBL
340105,C[NH2+]C(C)CC(C[NH3+])C(N)=O,0,GDB ChEMBL
60979,CC([NH3+])CCC1CO1,0,GDB ChEMBL
115895,CCC1(CC(=O)[O-])COC2C(C)[NH+](C)C21,0,GDB ChEMBL
337419,CC(C)C(O)C(C)OC(CO)C(C)C(N)=O,0,GDB ChEMBL
132888,C[NH+](C)CC1(CC2C[NH2+]2)CC1,0,GDB ChEMBL
160008,CC1[NH2+]C2CC2C(OC(N)=O)C1O,0,GDB ChEMBL
81729,CCC(C)C1CC=CN1C(C)=[NH2+],0,GDB ChEMBL
254841,CCN(C(C)=O)C1=CC([NH2+]C)C(=O)C1,0,GDB ChEMBL
165218,CC[NH+]=C1NC2C(CO)C23CCCN(C)C13,0,GDB ChEMBL
230504,CCNC1C(=O)Nc2nc(=O)[nH]cc2OC1=O,1,GDB ChEMBL
24244,[NH3+]Cc1cc2cc(O)cc(Cl)c2o1,0,GDB ChEMBL
51879,CC1([NH3+])CC1(N)C(C(=O)[O-])C1CC(O)C[NH2+]1,0,GDB ChEMBL
377765,[NH3+]C1CCN(c2c(Cl)nc(Cl)nc2Cl)C1,0,GDB ChEMBL
230483,CS(=O)(=O)NCc1[nH]cnc1C#N,1,GDB ChEMBL
180850,NC1=NCC([NH+]=C(N)N)CC(O)C(=O)N1,0,GDB ChEMBL
204638,CCCCC12C=CC(=O)C1CC2,1,GDB ChEMBL
207323,FC(F)(F)CCCc1cccc(Br)c1,1,GDB ChEMBL
333920,O=C1NCCCCCC1O,1,GDB ChEMBL
283996,CC(=CC1(C)CCC(=O)OC1)CO,1,GDB ChEMBL
149998,CC#CC1[NH2+]CC(C)C1CC,0,GDB ChEMBL
372208,COC1C2[NH2+]C(CO)C(O)C(O)C21,0,GDB ChEMBL
115734,CC1=CCOC(=O)C1CO,1,GDB ChEMBL
70984,O=COCC(=O)[O-],1,GDB ChEMBL
149370,CCCC1C(O)C=C2C(C)(C)CCC21C,0,GDB ChEMBL
187257,C=CC1CC(COC)C2(CC2)C1C,1,GDB ChEMBL
338492,O=COC1COC(C[NH2+]C2CC2)C1,0,GDB ChEMBL
105993,CCC([NH3+])CNC(=N)N(CC[NH3+])S(C)(=O)=O,0,GDB ChEMBL
157736,C#CCC1CCC2CCCC2(C)C1C,0,GDB ChEMBL
296615,CNC(=O)CC1C(=O)NC2C(OC)C(=O)C12,0,GDB ChEMBL
116092,CC(=O)OC1CC(C(C)[NH3+])C(C#N)O1,0,GDB ChEMBL
20480,Cc1[nH]cc(CO)c1OCCO,1,GDB ChEMBL
110242,NC1C2OC(=O)C13C[NH2+]CC2C3,0,GDB ChEMBL
274846,CCC(O)CC(C#N)OS(=O)(=O)NCCO,0,GDB ChEMBL
182930,CC(C)CCCC(C)C(O)C1OC1C[NH3+],0,GDB ChEMBL
187215,CCN1Cc2[nH]nc(CO)c2C1C,1,GDB ChEMBL
66760,CCNS(=O)(=O)C1(C(=O)OC)C(N)C1NC,0,GDB ChEMBL
353258,CC1CC2OC2CN1c1cscn1,1,GDB ChEMBL
177195,CCCCCC(C)CC(C)OC=NC,1,GDB ChEMBL
138364,CC#CCCC(C)OC(C)=NC(CO)CO,1,GDB ChEMBL
259124,CCOC1(C(=O)c2sccc2C)CNC1,1,GDB ChEMBL
195411,NC(=O)NC1CC2COC1C2,1,GDB ChEMBL
141882,CC(C#N)NC(=O)NC(C[NH3+])C(C)[NH3+],0,GDB ChEMBL
352850,C#CCCc1c(I)cnc(CO)c1NCC,0,GDB ChEMBL
281824,CCC(NCC[NH3+])=[NH+]c1csc(C)n1,0,GDB ChEMBL
208351,CCC(C)CC1(C)CCC(CC)(C(C)C)CC1,1,GDB ChEMBL
11382,CCCC1(O)C(O)C2CCC1(C)C(C=O)N2C,0,GDB ChEMBL
136483,C#CCC(C(C)C)C1CC(=O)CNC1CC#N,0,GDB ChEMBL
337057,CCC1=CC=C(C)CC(O)C1[NH+](C)C,0,GDB ChEMBL
341335,N#CC#CC(O)CCC(=O)[O-],1,GDB ChEMBL
122725,CC[NH+]1CC2C=CC1C(C)CC[NH2+]C2,0,GDB ChEMBL
97759,CCNc1[nH+]ccc(N)c1Cl,0,GDB ChEMBL
328865,C[NH2+]C(C)C(C)(COC)C1CC(O)C1,0,GDB ChEMBL
259415,CC([NH3+])C1CC(C)(C)OC(CCO)C(=O)O1,0,GDB ChEMBL
155166,C[NH2+]C1C2C[NH+](C)C(CC(C)(N)C[NH3+])C21,0,GDB ChEMBL
385654,CCC1(C)CC(C)OCCCC1CO,0,GDB ChEMBL
339215,CC[NH2+]C1C(O)COC(C)C1O,0,GDB ChEMBL
188486,C#CCC(C(C#N)=N[O-])C(CO)OC,0,GDB ChEMBL
369860,CCCOC1CC2CC(CO)C([NH3+])C2(C#N)C1,0,GDB ChEMBL
119442,CC(C)C1(C)CCC(=O)C1,1,GDB ChEMBL
264958,CCCCC(C)C1CC2C=CC1C2,1,GDB ChEMBL
25193,CC1CC=C(CCC2=CCCCC2)C1,1,GDB ChEMBL
277582,Oc1cn2ncccc2c1C1CC1,1,GDB ChEMBL
337132,C[NH+](C)CC1(C)CC[NH2+]C2CNCC(C2)O1,0,GDB ChEMBL
181148,CNC(=O)C(O)C(C)OC(N)=[NH2+],0,GDB ChEMBL
382972,CC(O)C1C[NH2+]C(C)C1c1cccc(O)c1,0,GDB ChEMBL
222578,C#CCc1c(Cl)c(C#C)c2c(ccn2C)c1O,1,GDB ChEMBL
221382,COC1C(C#N)CCC1CC[NH3+],0,GDB ChEMBL
292236,N#Cc1c(C(N)=[NH2+])cnoc1=O,0,GDB ChEMBL
343207,CC([NH3+])COCC(C[NH3+])NC1CC1,0,GDB ChEMBL
368467,Cc1c(N2CCC2)noc1C[NH3+],0,GDB ChEMBL
346808,COCC12N=CNC1C(C([NH3+])C(=O)[O-])NC2=O,0,GDB ChEMBL
392524,CC(C[NH+](C)C)OCC(C)C([NH3+])C1CC1C,0,GDB ChEMBL
325892,O=C([O-])C1=C2C(=O)NC1C(=O)CCCS2(=O)=O,0,GDB ChEMBL
262197,COC(=O)NCC(C)C#CC[NH3+],0,GDB ChEMBL
215885,CC1CCC2(C)CC(CO)C([NH3+])C2C1O,0,GDB ChEMBL
247377,[NH3+]CC1(O)CC2OC(=O)NCC([NH3+])C21,0,GDB ChEMBL
115244,COC=Nc1c(CC[NH3+])cc(O)c(C[NH3+])c1C,0,GDB ChEMBL
398712,CN1C(=O)C2OC(=O)C2C(O)C2CC21,0,GDB ChEMBL
142385,COC1C([NH3+])C(C(N)=O)C(O)C1O,1,GDB ChEMBL
34189,COC1CNC2C([NH3+])C(CO)C2C1,0,GDB ChEMBL
233408,COC(CCC=O)CC(C#N)CS(=O)(=O)[O-],0,GDB ChEMBL
76410,CCC1C=CC(CC(C)(C)C(C)C)C1CC,0,GDB ChEMBL
201451,CCC1C=CC(=O)NC=N1,0,GDB ChEMBL
28155,CC1c2ccc(Cl)cc2C2C=CC3C1C23,1,GDB ChEMBL
273824,C=CC[NH+](CC#CC)C(C)C(=C)C,0,GDB ChEMBL
133953,C=C1CC(=C)CC(C)(C[NH+](C)C)C1,0,GDB ChEMBL
338112,CCC(C)(C)CCC(C(C)C)C1CC1,1,GDB ChEMBL
146081,CCC1CC(C#N)C(N)C(C#N)C(O)C1C[NH3+],0,GDB ChEMBL
271530,NC(=O)C(O)C(CO)C(N)=O,1,GDB ChEMBL
234867,CC(C)C1CC(CO)C=CC[NH+]1C,0,GDB ChEMBL
398846,CCc1cc(I)c(C(CC)CC(C)C)cc1C,1,GDB ChEMBL
163883,CC1(C)CCOC2CC([NH3+])(C[NH3+])CCCC21,0,GDB ChEMBL
382202,CC1(C)C2CC(CO)C1(O)CC([NH3+])C2CC#N,0,GDB ChEMBL
99692,CCCCCC1C(C)C2[NH2+]C1C1CCCC12C,0,GDB ChEMBL
87709,CCC(CC)c1cc2c(cc1Cl)CC1CC21,1,GDB ChEMBL
152567,COC(=O)COC1OC(CO)C([NH3+])C1CO,0,GDB ChEMBL
208546,NC(=O)C1CS(=O)(=O)CC2C(=O)CC2N1,0,GDB ChEMBL
379259,[NH3+]C1CC(CO)(CC2CC2)C1,0,GDB ChEMBL
285597,CC[NH+]=C(N)Cc1cc(CC)cc(C)n1,0,GDB ChEMBL
116645,C[NH+]=C(N)NCC(CO)CC(O)CC=NO,0,GDB ChEMBL
44577,NC(=[NH2+])NC1=[NH+]C2C(=O)NCC2N1,0,GDB ChEMBL
295939,CNc1c(C)ncnc1C[NH3+],0,GDB ChEMBL
13889,CC1CC2[NH2+]CCCC2(C)C(CNC(N)=[NH2+])O1,0,GDB ChEMBL
207258,COC(C#N)C(O)(CC(O)CO)C([NH3+])CO,0,GDB ChEMBL
172725,CC(O)C1(NS(C)(=O)=O)CNC1=O,1,GDB ChEMBL
55555,C#CC1CCC(C)(C)CC(CC)(CCCC)C1,0,GDB ChEMBL
103891,CNC(=O)c1sncc1C1(O)CC1,1,GDB ChEMBL
285715,CC(C)(C)C(C([NH3+])CC(O)CO)C(C)(C)[NH3+],0,GDB ChEMBL
398174,C#CC1CCC2CCCC(CCCC)C2(C)C1,0,GDB ChEMBL
228798,CC(=O)NC(C=O)C(C)=CS(N)(=O)=O,1,GDB ChEMBL
328839,CC1CCC2CC1(C)c1ccc(F)cc12,0,GDB ChEMBL
48481,CCCC1CC2C=C(C)C(C)C1(C)C2,0,GDB ChEMBL
132300,CC(C)C1(O)CCC2(C[NH2+]C2)C1,0,GDB ChEMBL
168463,C[NH+]=C(N)NCc1c[nH]cn1,0,GDB ChEMBL
374175,N#CCc1ccc(C(=O)NC=N)cc1,1,GDB ChEMBL
281629,CCC1Cc2ccc(C)c3c2C([NH2+]1)C(C)C3C,0,GDB ChEMBL
386624,CCC1C=CCC=CCC1C[NH3+],0,GDB ChEMBL
302588,N#C[C-]1N=C(N)C(OCC2CC2)C1=O,0,GDB ChEMBL
227941,CC(O)C(C#N)C1CC(O)C(C)[NH2+]C1C,0,GDB ChEMBL
48470,C#CC(COCCC(O)CO)N1CCOC1=O,1,GDB ChEMBL
312558,CC#CC1CC1c1ccc(Br)cc1CC,0,GDB ChEMBL
111564,NC(=O)C1NC(=[NH2+])C2C(CC(=O)[O-])C12N,0,GDB ChEMBL
149931,CCCC1COC(=O)CNCC12CC2,0,GDB ChEMBL
93424,C#CC[NH+]1CCC(C)(C(C#C)CCC)C1C#C,0,GDB ChEMBL
259416,CC1CC2C(CC(C)(C)C[NH+](C)C2C)C1C,0,GDB ChEMBL
179998,N#CC1(C(=O)CO)CCCNC1C(=O)[O-],0,GDB ChEMBL
75001,C#Cc1cn(CC(C)C)c(C#N)c1C,1,GDB ChEMBL
17554,CC(C)C[NH+]1CCC([NH3+])C2NCC1C2(C)C[NH3+],0,GDB ChEMBL
293849,CCC#CCOC(=O)C(C)(N)CCCO,1,GDB ChEMBL
26440,C#CCOCCN(C=O)C(CC)C(C#C)C#N,1,GDB ChEMBL
112455,CC1(C)C[NH2+]CC(C(C)(C)NC(N)=O)OC1,0,GDB ChEMBL
93093,OCC1C2C[NH2+]C1C(C1CC1)O2,0,GDB ChEMBL
87083,CC(CCO)C1OCCC2C(C)[NH+]=C(N)C21O,0,GDB ChEMBL
199462,CCC(C[NH3+])(OC=O)C(=O)OC,1,GDB ChEMBL
78332,CC(C(N)=O)C(C[NH3+])(CO)NC=O,0,GDB ChEMBL
356844,O=C1NC2CC3CC1(O)CC2C3O,0,GDB ChEMBL
247357,CC1C=C2CC3CCCC(CCC3)C2(C)C1,0,GDB ChEMBL
81442,CC#CC1CC(=O)CC[NH+]2CC(CN1)C2,0,GDB ChEMBL
362162,CN1CCC2(COC1=O)C(O)C2(C)[NH3+],0,GDB ChEMBL
120012,C[NH2+]CC1(O)COC2(C)C([NH3+])C(=O)N(C)C2C1,0,GDB ChEMBL
234987,CC(C)NC(=O)C1N=C(N(C)C=O)CCC1[NH3+],0,GDB ChEMBL
334081,[NH3+]CC12CNc3n[nH]cc3C1CC(CCO)C2,0,GDB ChEMBL
118867,N#CC(=O)C1CC(NC(N)=[NH2+])C(=O)N1,0,GDB ChEMBL
153342,C[NH+]1CCC2CCC1CC2,0,GDB ChEMBL
44620,CC1=CCc2ccc(Br)cc2C2CCC=C12,0,GDB ChEMBL
353565,C#CC1=CC2(C)CC(CCC)CC(CC1)C2,0,GDB ChEMBL
157742,N#CC(CO)[N-]C(=O)C([NH3+])COC=N,0,GDB ChEMBL
265515,CCCC12COCC(C1)c1c(Cl)cccc12,0,GDB ChEMBL
302628,CC1C2CCC(CC[NH3+])C1C[NH2+]2,0,GDB ChEMBL
140253,CCN(C=[NH2+])C(=NC)NC(=O)C[NH2+]C,0,GDB ChEMBL
390127,[NH3+]C1C2OC(=O)C3CS(=O)(=O)NCCC312,0,GDB ChEMBL
382958,CC1CC2(CCO)C3C(O)CC(C32)[NH+]1C,0,GDB ChEMBL
81719,Nc1cc(CCC=O)nc(OCC(=O)[O-])c1,1,GDB ChEMBL
381451,CC1CCC2(C)C(C1)NC(=O)C1OC12,0,GDB ChEMBL
61244,COC1CC2=CC1CCCC=C(CO)CC2,0,GDB ChEMBL
23497,CC(C)C1c2cccc(Br)c2CC1(C)C(C)C,0,GDB ChEMBL
179151,O=C1CC2(O)COC2CN1,1,GDB ChEMBL
191670,Cc1cc(C)c2c(c1)CC(C)C1CC1C2,1,GDB ChEMBL
244287,CCCNC=[NH+]C(CO)c1cc(C)ccc1I,0,GDB ChEMBL
142498,CCC1(C2CC(CO)C[NH2+]2)CNC(C)C1C#N,0,GDB ChEMBL
358280,COC1CC(C)(NC(C=O)C(N)=O)CNC1=O,0,GDB ChEMBL
138337,CCC1(C[NH2+]CC(C)(C)C)C([NH3+])C1O,0,GDB ChEMBL
34182,NC(=[NH2+])NC1(CC=O)CCCNC(=O)C1O,0,GDB ChEMBL
338137,Nc1nocc1NCCCO,1,GDB ChEMBL
362368,C#CC(C)(C#C)CCCCC[NH3+],0,GDB ChEMBL
186017,CC1NC(=O)C(C)(C)C2(C)CC(CO)CC12,0,GDB ChEMBL
162915,CCc1ccc(N)c(C2=CCC3(C)CC23)c1,1,GDB ChEMBL
59189,C[NH+](CC(O)CO)C1C2CNC(=O)C21N,0,GDB ChEMBL
209488,CCC12CC([NH+]=C(N)N(C)C1)C(=O)N2,0,GDB ChEMBL
112397,C#CCC1(C)CC2CC1C2c1ccccc1,0,GDB ChEMBL
334444,Cc1cc(C)c2c(n1)CC(C)CC(=N)O2,1,GDB ChEMBL
186677,CC12CC(Oc3ccccc3N)(C[NH2+]1)C2,0,GDB ChEMBL
375568,CS(=O)(=O)CC(O)C1CNC(=O)C1,1,GDB ChEMBL
280588,CCNC(N)=[NH+]CCC([NH3+])CN(C)C=O,0,GDB ChEMBL
394305,COCC1CC=CC(C)C=CCCCCC1,1,GDB ChEMBL
148854,C#CC1CC(C[NH3+])CCC(CCC)C1,0,GDB ChEMBL
174637,COCCC1C[NH2+]C2COC1CC2C,0,GDB ChEMBL
358113,CN1C(C[NH3+])C2C(=O)OCCC(C)(C)C21C,0,GDB ChEMBL
47715,CCC1[NH+]=C(N)CCC1=O,0,GDB ChEMBL
148183,C#CCN(C)C12CCCC(C)C(CC1=O)C2O,0,GDB ChEMBL
328920,CC(CC(CC#N)NC=O)=NO,0,GDB ChEMBL
140741,CC[NH+]1C(C)CC(O)C1(C=O)CC,0,GDB ChEMBL
184872,CC(C)C12CCC(CCC3C[NH2+]C1C3)CC2,0,GDB ChEMBL
156222,CC(CC#N)OCc1cocn1,1,GDB ChEMBL
255322,CCC1C(=O)C2(C)C=CC(O)C1C(C)C2,0,GDB ChEMBL
172757,N=C1OC(=O)C(C(=O)[O-])NC(=O)C1N,0,GDB ChEMBL
223257,CNC(=O)C(=O)C(C)CC(CC[NH2+]C)=NO,0,GDB ChEMBL
77555,Cc1cc(=O)c2c(C(C)C[NH3+])c(Cl)ccc2[nH]1,0,GDB ChEMBL
339032,C#CCC1CC(C)(C(C)C)CCC1CCCC,1,GDB ChEMBL
12857,CCC1CC(O)C2(C)C1=CC(C)CC2(C)O,0,GDB ChEMBL
73267,CCC1C(C)=CCC2CCC=CC1C21CC1,0,GDB ChEMBL
250541,OC1C[NH2+]CC=CC2C3CC[NH+](C1)C23,0,GDB ChEMBL
350666,CCC(=O)C1CC(O)C(C)[NH2+]1,0,GDB ChEMBL
353255,CC[NH+]1CCOC2C3CC1C32,0,GDB ChEMBL
20122,CCOCCCC(C)C(C)=O,1,GDB ChEMBL
132837,CCC(CNCC#N)C1CC1,1,GDB ChEMBL
235697,CC1(CCC=O)C(=O)C2CC(O)CC1C2,0,GDB ChEMBL
336084,COC1OC2CC(=[NH2+])NC2C(O)C1O,0,GDB ChEMBL
204349,CC[NH2+]CCNCC(N)(C#N)CO,0,GDB ChEMBL
318739,O=CNC(CO)CC(=O)n1cnnn1,1,GDB ChEMBL
188067,O=CN1CCC=C1COC1C(=O)NCC1O,0,GDB ChEMBL
262221,CC(=O)NC(C)C1CC[NH+]=CNC(C)C1CO,0,GDB ChEMBL
249594,C[NH2+]C1C(=O)NC(C)C=C1CC(C)(C)C,0,GDB ChEMBL
223322,CC1=CCC(Cc2cc(C)on2)CC(C)C1,0,GDB ChEMBL
7382,CC1=CC2CCC=CCCC1(CO)C2,0,GDB ChEMBL
93148,CC(C)C(C#N)C1CC([NH3+])C2OC12,0,GDB ChEMBL
360812,CC1CCC2c3cnc(F)cc3C3CC123,0,GDB ChEMBL
99117,C[NH2+]C1C(O)C[NH2+]CC(C(C)O)C1O,0,GDB ChEMBL
306314,CN(C1CCCC1)C1(C)CC[NH2+]C1,0,GDB ChEMBL
361182,C#CC1=CCC(C)C(CCC2CCCC2)C1,1,GDB ChEMBL
87542,N#CC1CCC2CC1C1C=CC=CC[NH+]2C1,0,GDB ChEMBL
279234,CCC1([NH2+]C)CCC(C)C(C)C1,0,GDB ChEMBL
333686,N#CC(=O)CC(O)C[NH+]=C(N)N,1,GDB ChEMBL
153312,C=C(COCCC)CC(CC)CC,1,GDB ChEMBL
277613,CN1C2CNCS(=O)(=O)[N-]C(=O)C1C(O)C2,0,GDB ChEMBL
40379,C[NH2+]C(C)C(O)C1CC(S(N)(=O)=O)NC1=O,0,GDB ChEMBL
136503,CC(=O)C(C)=CCC1CCCC1O,1,GDB ChEMBL
372509,O=C1OCC12CCCC(CO)C2O,0,GDB ChEMBL
300112,C#CC1=CC(C)(C)C(C[NH3+])CCCC1,0,GDB ChEMBL
29933,C#CC(=CC(C)C[NH+](C)CC)CC,0,GDB ChEMBL
140324,CC1C2OC(C[NH3+])C1C(C)(CO)C2O,0,GDB ChEMBL
368523,C#CC1(C(=C)C)OC1C(O)C(N)=O,0,GDB ChEMBL
301508,CC[NH2+]C1C2CC(=O)C1N(C)S(=O)(=O)C2,0,GDB ChEMBL
26344,CC1(C)C([NH3+])C1OCc1ccccc1Cl,0,GDB ChEMBL
61679,CC(=O)C(N)=NC(C#N)CO,0,GDB ChEMBL
156491,C#CC[NH+](C)CC1CCC1[NH3+],0,GDB ChEMBL
50879,C[NH2+]C(C#CC1CC1)C(C)O,0,GDB ChEMBL
29007,COC(=O)NC1C(C)OC1C1CC1[NH3+],0,GDB ChEMBL
321811,CCCC(C)C1C(CS(N)(=O)=O)C[NH+]1C,0,GDB ChEMBL
307892,CCCC1C=C(CNC=O)CC1,1,GDB ChEMBL
126348,CCCCC1(N)C([NH3+])C(CCO)CC1(C)C[NH3+],0,GDB ChEMBL
313697,C[NH2+]CC(C)(CO)N(C)C(=O)c1ccn(C)c1,1,GDB ChEMBL
306291,CC1NC(CO)C(=O)NC1C1C2CC[NH2+]C21,0,GDB ChEMBL
84223,CC1CCC2[NH2+]C1C1OCC(CO)[NH2+]CC21,0,GDB ChEMBL
172363,COC(=O)Nc1cc([O-])c(=O)[nH]c(=N)n1,0,GDB ChEMBL
111500,CCN1CC2NS(=O)(=O)CC1C2OC,0,GDB ChEMBL
200709,COCC1CC2CCC2CC[NH2+]1,0,GDB ChEMBL
22064,CCC(C)N(C)c1nc(C)c(C)[nH]c1=O,1,GDB ChEMBL
151055,CCCCC1COC2(CC(F)(F)F)CC12,0,GDB ChEMBL
249839,CCCCc1cc(I)c(C)n2cccc12,1,GDB ChEMBL
249571,CCCCC1C(NC2(C)CC2)C1[NH2+]C,0,GDB ChEMBL
378554,CC[NH+]1CC(C)C(CO)C1,1,GDB ChEMBL
194239,CC#CC#Cc1cc(F)cc(CC)c1,1,GDB ChEMBL
177276,CC1CC2OCC2(O)C(O)C1C(=O)[O-],0,GDB ChEMBL
147420,CC(C)C1CCC2CC(C1)CC1CC1[NH+]2C,0,GDB ChEMBL
76377,C#CCC1CCC(COCC)C1,1,GDB ChEMBL
27957,CC(N)=[NH+]CC(Cc1cc(C)c(C)o1)C(=O)[O-],0,GDB ChEMBL
232078,CCCN(C)CC1(C#N)NCC([NH3+])(CC)C1O,0,GDB ChEMBL
387259,CC1C2OCC1(C(N)=O)CC2O,0,GDB ChEMBL
70198,C[NH+]1CCC2CC2c2cc(N)sc2C1,0,GDB ChEMBL
377777,CCC1COC(C(C)OC)C(C(O)C[NH3+])O1,0,GDB ChEMBL
358079,[NH3+]C1C2CC1N(Cc1cc(Cl)ncn1)C2,0,GDB ChEMBL
16782,N#CC1(CNC(N)=O)CC2(O)CC2C(=O)[N-]1,0,GDB ChEMBL
62116,CC1=CC=CC=CC(C(=O)NC(=N)N)=C1,0,GDB ChEMBL
353252,COC(=O)C(N)CC(O)(C[NH3+])COCC[NH3+],0,GDB ChEMBL
228504,C=CCOCCC(=C)NC(=O)C[NH3+],0,GDB ChEMBL
26890,CCC[NH2+]C1CCC2C(CO)OC2C1,0,GDB ChEMBL
61559,CN=C1NC(=O)C(O)C(C[NH3+])C2C(CO)N12,0,GDB ChEMBL
352202,COCCC12CCC1[NH2+]C2,0,GDB ChEMBL
279997,CC(CO)NS(=O)(=O)C1C(O)C1C#N,0,GDB ChEMBL
181399,N#CCC1CNC2COCOCC2OC(=O)N1,1,GDB ChEMBL
43948,CNC1(C#N)C(N)C1C(C)CO,0,GDB ChEMBL
198661,C#CCC(CCC)C(C#C)CC=C,0,GDB ChEMBL
38184,O=C1NC2=NC(C(=O)[O-])C(O)COCC2O1,0,GDB ChEMBL
79363,C[NH2+]CCc1cc(C#N)c2c(c1Cl)COC2,0,GDB ChEMBL
361150,COc1nn2c(C=O)cc(Cl)nc2c1N,0,GDB ChEMBL
366001,CC1CC([NH3+])CC2(C)OCC[NH2+]C2C1C,0,GDB ChEMBL
296282,CC(C)(CO)Oc1cnc(N)cn1,1,GDB ChEMBL
283225,CCc1cc(COCC(O)C(C)[NH3+])on1,0,GDB ChEMBL
121702,CCCC1(C#N)CC([NH2+]CCC#N)C(C)CN1,0,GDB ChEMBL
392760,CCC1CC2C(C)=CC1C2C(C)(C)C,0,GDB ChEMBL
271800,CCCCCC(=O)[N-]S(=O)(=O)C1CC([NH3+])C1,0,GDB ChEMBL
22036,CCN1CCOC2C(C)(C)C2(C#N)C1,0,GDB ChEMBL
313331,CCC1CCCC(C)C2OC12,1,GDB ChEMBL
386436,C#CCC1CC2(CC)CC[NH2+]C(C2)C1(C)CC,0,GDB ChEMBL
17053,CC1CC2(C#N)COC1C1C=CCN12,0,GDB ChEMBL
249614,CCCC1CCC2CC([NH2+]C)C3C1C23,0,GDB ChEMBL
61492,C[NH2+]CCCc1cnnn1CC(C)[NH3+],0,GDB ChEMBL
354440,C[NH+]=C(NCCCOC)C(C)n1cccc1,0,GDB ChEMBL
222182,CN1CC([NH3+])C(NC=O)C1=O,0,GDB ChEMBL
383746,CCC(C)(CCN1CC1)[NH+](C)C,1,GDB ChEMBL
73309,CCC1C(=O)NC(=NCC[NH3+])C1([NH2+]C)C(=O)[O-],0,GDB ChEMBL
263408,CCN(C)c1c[nH]c(COC(=[NH2+])NCC[NH3+])c1,0,GDB ChEMBL
300135,COc1cc(N)n2c(C[NH3+])cnc(F)c12,0,GDB ChEMBL
273450,Cn1cnnc1C([NH3+])CCCNCC#N,1,GDB ChEMBL
46036,CC1CC2OC3C(=O)NC4=NCC[NH+]1C2C43,0,GDB ChEMBL
31376,CCCNC1C2[NH2+]CC3C[NH+](C)CC312,0,GDB ChEMBL
31317,CCCC1C=CC(C(N)=[NH2+])C1,0,GDB ChEMBL
177211,C[NH+]=C1NC(C(C#N)C(N)=O)C(C[NH2+]C)CO1,0,GDB ChEMBL
157113,CCC([NH3+])C1C(C)C=CC1[NH2+]C,0,GDB ChEMBL
305513,CC1CC2(COCCCC2C)C1,0,GDB ChEMBL
16495,N#CCC1(C=O)OC1C(=O)NC(=N)N,0,GDB ChEMBL
347942,O=C1[N-]S(=O)(=O)C2C3CC(O)C(C[NH2+]3)C12,0,GDB ChEMBL
119684,CCNC1=C(CO)C(=O)C(C(C)(C)C)CC1,0,GDB ChEMBL
4780,C[NH2+]CCC1CC1C=O,0,GDB ChEMBL
136661,C[NH2+]C1C(N)C2CC(C)(O)C1C2O,0,GDB ChEMBL
278868,CCc1nccnc(C(C)C)c1=NCCCO,0,GDB ChEMBL
286855,N#CC1C2CCC(C3CCC(=O)N3)(O2)C1O,0,GDB ChEMBL
44130,[NH3+]C1C=CCC2CC1CC[NH2+]2,0,GDB ChEMBL
2381,CN1CC(C(=O)[O-])=C(N)C1=O,1,GDB ChEMBL
162935,CC12CCC(CCC(O)C(C)(C)C)(CC[NH2+]1)C2,0,GDB ChEMBL
197064,CC1=C2CC(C)(CNC(=O)C=CC2=O)C1,0,GDB ChEMBL
189791,CCC(O)C1OC(C)CC1C,1,GDB ChEMBL
59645,NC1=[NH+]CCC(O)(CCC(N)C[NH3+])CO1,0,GDB ChEMBL
173932,CCC(O)C1CC(C#CCO)C1,1,GDB ChEMBL
316293,C=CC(=CC[NH2+]C1CC1)C1CC1C,0,GDB ChEMBL
66611,N#CC(NC(N)=[NH2+])C12OC(=O)NC1C2O,0,GDB ChEMBL
382991,C#CC(CCC(CC)[NH2+]C)CC1CCCC1,0,GDB ChEMBL
81026,CCC1C(C)C2C=CCCCC=CC1C2C,0,GDB ChEMBL
348641,CC1OC2(C(O)C(N)=O)CC1CCO2,0,GDB ChEMBL
28370,O=C1CC2CC1=CC#Cc1cc(ccn1)O2,0,GDB ChEMBL
308333,CCC12CCCC(COC3CCCC(C)C31)C2,0,GDB ChEMBL
395600,OCC1CC2CCCC3C(C2)N13,0,GDB ChEMBL
273833,COCC1CC=CC(=O)OC1,1,GDB ChEMBL
325211,NC(=O)C(=O)N(C=O)CC(=O)[O-],1,GDB ChEMBL
264011,C#CC(O)(CC(N)=[NH2+])C(C)C,0,GDB ChEMBL
313313,CC1CCC2CCCC1C1(CCC1)C2,0,GDB ChEMBL
290515,COCC([NH3+])COCCNC(N)=[NH2+],0,GDB ChEMBL
174812,N#CC12C(O)CCC1S(=O)(=O)NC2CO,0,GDB ChEMBL
131676,CCC1(C)C(N)C(O)C[NH+]1C,0,GDB ChEMBL
214420,COC1C(C(N)=[NH2+])CC2(C)NC12,0,GDB ChEMBL
252755,CC[NH+]1CC2C3CC(O)C([NH2+]C)C=CC1C32,0,GDB ChEMBL
76684,CC(C)(O)CCCOc1c(C=O)noc1N,1,GDB ChEMBL
143830,C#CCCC(CCCCO)C1CC1,1,GDB ChEMBL
215402,N#CC1CCC[NH2+]CCNC(=[NH2+])O1,0,GDB ChEMBL
111924,N#CC1(N)CC(CO)C(O)C1(N)C(N)=O,0,GDB ChEMBL
345376,CCCOCC(=N[O-])C(C)c1cn(C)cn1,0,GDB ChEMBL
242654,N#CCC(=O)OCC(=O)CC1CC1,1,GDB ChEMBL
170470,CC1OCC(C[NH3+])C(O)C1[NH3+],0,GDB ChEMBL
34962,CC[NH2+]CC12CC(C#N)C(C1)N(C)CC(=O)O2,0,GDB ChEMBL
252052,C#CC1(CC(=O)NCCC(N)=O)CCC1C,1,GDB ChEMBL
320300,O=Cc1ccncc1CCC(O)COCCO,1,GDB ChEMBL
186012,Clc1ccccc1OC1CC1,1,GDB ChEMBL
181390,NC(=O)Nc1ccnc(F)c1OCCCO,1,GDB ChEMBL
190526,COC1CC=CC(C)[NH2+]C1CN,0,GDB ChEMBL
194255,N#CC1C(N)C1C(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
348630,N#CCc1cc2cc[nH]c2c(I)c1C#N,1,GDB ChEMBL
396784,CC=CCOC(C)C#CC(=O)NC,1,GDB ChEMBL
305209,CCC(O)(CC)C(C[NH3+])CO,1,GDB ChEMBL
68458,N#CCCC(Nc1cnnnc1)C(N)=[NH2+],0,GDB ChEMBL
34714,CCC([NH3+])C1C=CC2CC[NH2+]C21,0,GDB ChEMBL
277566,CC1(C#CCC(N)=O)CC[NH2+]C1,0,GDB ChEMBL
375904,Cc1c(N)cc2ncsc2c1C,1,GDB ChEMBL
70119,COC1CC2C[NH2+]C(C)C1N2,0,GDB ChEMBL
395908,C#CCCC1OCCC(=O)O1,1,GDB ChEMBL
194282,Cc1cc(NC(=N)[C-](C#N)C(N)=O)n[nH]1,0,GDB ChEMBL
84555,CC(C)N1C(=O)C(C(C#N)=N[O-])CC1C,0,GDB ChEMBL
305459,CCC(CC(C)(C)C(C)C)C(C)[NH2+]CC(C)C,0,GDB ChEMBL
167305,C#CC1(C(C)CCC)COC1,0,GDB ChEMBL
254914,FC(F)(F)CC1=CCCC=CC1,1,GDB ChEMBL
112609,CC(=O)c1cn(C)c2c1OCC2,1,GDB ChEMBL
285567,COC12CC1c1c(Cl)cccc1C(C)C2C,0,GDB ChEMBL
141718,CCn1c(=O)cc(C(C)O)[cH-]c1=N,0,GDB ChEMBL
274148,[NH3+]CC(NC=O)C1COC1,0,GDB ChEMBL
177150,COC1C(O)C(=O)COCC1C(C)(O)C(N)=O,0,GDB ChEMBL
62821,C1=CC2=CCCC3C4CCC[NH+]4CC23CC1,0,GDB ChEMBL
21736,C#CCCC[NH2+]CCCC(C)C,0,GDB ChEMBL
16546,CCCCC1(CC2(C)CCC2)CCC(C)C1,1,GDB ChEMBL
127212,CN=C(CC(N)C#N)Oc1cccc(Cl)n1,1,GDB ChEMBL
225179,Ic1cccc2c1COC2,1,GDB ChEMBL
170443,COCC1C=CNC(=O)C(C)[NH2+]CC=C1C,0,GDB ChEMBL
285099,CCN1C2C=C(CO)CC(NC2)C1C[NH2+]C,0,GDB ChEMBL
301176,CCCC1CC2(CC)CC(CC)(C1)C(C)C2C,0,GDB ChEMBL
149366,OCCc1cc(CO)no1,1,GDB ChEMBL
344317,CC[NH+]1CC2C3C1CC(O)C23C,0,GDB ChEMBL
283229,N=C(NC(=O)C(=O)CO)c1cscc1C(N)=O,1,GDB ChEMBL
53056,CCC1CCCC2CC2C2CC2C1,0,GDB ChEMBL
196772,C[NH2+]Cc1cnc(C)c(NC=O)c(=[NH2+])c1,0,GDB ChEMBL
207902,CCC(C)(c1ccn(C(C)C)c1C)C(C)(C)O,0,GDB ChEMBL
388451,CC1CC2CCC1C=CCCC2(C)C,0,GDB ChEMBL
290164,C[NH2+]CC1CCC2C=CCCC21,0,GDB ChEMBL
1064,[O-]c1c(F)ccc(F)c1C#CCO,1,GDB ChEMBL
353221,CC1C2C(O)C(=O)NC(=O)C2NS1(=O)=O,0,GDB ChEMBL
171853,C#CC1CC1(C(N)=[NH2+])C(C)CCCC,0,GDB ChEMBL
35461,CC12CCOCC[NH2+]CCCNC1C(=O)CO2,0,GDB ChEMBL
62542,CC1NC(=O)C2CC1C1CCC(=O)NCC21C,0,GDB ChEMBL
38213,CCOC1C(CO)=C(C)CC1C,1,GDB ChEMBL
316420,CC1([NH+]2CC(C(N)=O)C2CO)CC1,0,GDB ChEMBL
228451,CCC1CCC(C(CC)CC)[NH2+]1,0,GDB ChEMBL
391660,[NH3+]CC1C([NH3+])C1C(O)CO,0,GDB ChEMBL
70076,NC(=[NH2+])NCc1[nH]ncc1C(N)=[NH2+],0,GDB ChEMBL
345439,O=C(C1CCC1)C1COCCO1,1,GDB ChEMBL
331455,C[NH2+]CCCC12C=CC(O)CC(C1)C2,0,GDB ChEMBL
198645,C1=CCC(C2CCCOC2)[NH2+]C1,0,GDB ChEMBL
339084,CCCCCC1([NH3+])C(C)C1O,0,GDB ChEMBL
109618,C#CC(CC(C)OC)C(C)(C)NC(C)=O,1,GDB ChEMBL
212581,CCNC(=O)C1NC(C)CC(O)C(C)([NH3+])C1O,0,GDB ChEMBL
304334,COC(=O)[C-](C#N)C1[N-]S(=O)(=O)C1CO,0,GDB ChEMBL
130862,Nc1cnc(COCC(=O)[O-])[nH]1,1,GDB ChEMBL
336600,CC1CCOC(CC(N)=O)C([NH3+])C(=O)N(C)C1,1,GDB ChEMBL
161409,CC1CCC(CC2(C)C[NH+](C)C2)C(C)C1,0,GDB ChEMBL
310157,C#CCCC(O)CCC(N)=[NH+]C,0,GDB ChEMBL
321439,C[NH2+]CCc1c(C)c(O)cc(C)c1C(C)=O,0,GDB ChEMBL
104927,CC1(O)CC2COC(=O)CNC(=O)C2([NH3+])C1,0,GDB ChEMBL
147988,CCOC1(c2[nH]c(C)cc2C)CN(C)C1,1,GDB ChEMBL
161032,NC(=[NH2+])NCCNc1nnc(OC=O)s1,0,GDB ChEMBL
330775,C[NH2+]C1C2OC(C=C2CO)C1O,0,GDB ChEMBL
248651,CC(OC=O)C([NH3+])C1OC(=O)[N-]C1=O,0,GDB ChEMBL
65574,CCC1CCC(CC)(CC)CC1(C)CC,1,GDB ChEMBL
201118,COC(=O)N1C(C)(C[NH3+])C1(C)C(=O)[O-],0,GDB ChEMBL
235181,C=CC1=NCCN1C(=O)C(N)C[NH3+],1,GDB ChEMBL
317537,CCC(CC1CC(C)C2[NH2+]C12)C(C)(C)O,0,GDB ChEMBL
97726,C#CC(C)(CC)Cc1cc(F)cc(C[NH3+])c1C,0,GDB ChEMBL
28367,O=C([O-])C1CCOc2c(F)cncc21,0,GDB ChEMBL
305990,CC1CC1C1CC2(C)CCCC1[NH+](C)C2,0,GDB ChEMBL
82179,CCC1C=C2CCC(CC2)CCC1C(C)C,0,GDB ChEMBL
249834,CCOC(=O)c1oncc1N,1,GDB ChEMBL
330021,C#CC1(C)C(C)C1([NH3+])COCCCCC,0,GDB ChEMBL
389490,[NH3+]C1C2CC(O)C1CC(CO)N2,0,GDB ChEMBL
243345,C[NH+]1CC=C(CC(=[NH2+])NC2CC2)C1,0,GDB ChEMBL
82134,Cc1ccc2c(N)n(C)c(C3CCC3)c2c1,1,GDB ChEMBL
9750,C#CCc1cncc(Br)c1C,1,GDB ChEMBL
215831,C=CC[NH2+]CC(=CC)C[NH2+]C(C)C,0,GDB ChEMBL
109761,CC1NC(=O)NC(=N)N2C(C(=O)[O-])C12,0,GDB ChEMBL
48757,O=C1NCC2C(O)C3NS(=O)(=O)CC3N12,0,GDB ChEMBL
255970,N#CC1CCCCNS1(=O)=O,1,GDB ChEMBL
78633,CCC[NH2+]C(CC(C)CO)C1OCC(O)CO1,0,GDB ChEMBL
88124,C[NH2+]C1CC(O)C2C(C#N)C12CC[NH3+],0,GDB ChEMBL
67346,CCOC(C[NH3+])C1(CO)CC1,1,GDB ChEMBL
273456,CC1CC(C2CN2C)CC[NH+]1C,0,GDB ChEMBL
375893,CC(CO)C1C[NH2+]CC(c2ccnc(O)c2)C1,0,GDB ChEMBL
130624,CC1CCCC[NH+]2CC(C)C1CC2(C)C,0,GDB ChEMBL
104624,CCC1(O)CC(CCC[NH3+])C1,0,GDB ChEMBL
362218,CC1(CO)CC2OC(CO)CCCC2CC[NH2+]1,0,GDB ChEMBL
348667,CCCC1([NH2+]C)CCC1=CCOC,0,GDB ChEMBL
332722,Cn1cc(N)nccc(O)nc1O,0,GDB ChEMBL
339955,CC(NC(C#N)C1COCC(C#N)O1)C(=O)[O-],0,GDB ChEMBL
343938,CC12CCC(C1)CC2(O)C(O)C(N)C[NH3+],0,GDB ChEMBL
20076,[NH3+]C1CC(O)C2OC(=O)C3COC1C32O,0,GDB ChEMBL
149936,CC1C(=O)C2(C#N)COC1C2,0,GDB ChEMBL
284359,Cc1cc(F)cc2c1C=CC(C)C2C,1,GDB ChEMBL
366498,C#CC1(CC)CC2C(CC)C[NH+]1CCN2C,0,GDB ChEMBL
132704,C#CCC1C(C)C2C[NH2+]C(C)C1C2,0,GDB ChEMBL
115164,N#CC(OC1CC2CCC[NH+]2C1)C(=O)NC=N,0,GDB ChEMBL
146061,C#CC1C(CC)C1CCCC[NH3+],0,GDB ChEMBL
83111,COC12CC(C)N(C)C1C2C#N,0,GDB ChEMBL
244288,CCc1c(Cl)nc2c(c1S(C)(=O)=O)CCN2,1,GDB ChEMBL
105085,CCCC1COC(=N)CC(C)(C)C[NH+]1CC,0,GDB ChEMBL
348465,C#CCCCc1c(C)c(Br)c(CC)c(C)c1Br,1,GDB ChEMBL
230755,CC1NS(=O)(=O)CCC2OC(=[NH2+])NC2C1O,0,GDB ChEMBL
81784,CC1=CC=C2CCC(C)C3(CC3)C2CC=C1,0,GDB ChEMBL
107017,NC(=O)C1CC(=O)C2(C=O)C(O)C2N1,0,GDB ChEMBL
146023,CCCc1ncn(C)c(C)cc(C)c(NC)n1,0,GDB ChEMBL
71717,CC1CCCC(N(C=O)CCC#N)COCO1,0,GDB ChEMBL
195287,C(=CC1CC1)COCC[NH+]1CCC1,0,GDB ChEMBL
176437,CC1C(C)C12CCC1CC[NH+](CC1O)C2C,0,GDB ChEMBL
298912,C[NH2+]CC1=CCCC[NH2+]C(C)C1,0,GDB ChEMBL
36009,[NH3+]CC1C2C=CCC1C=CC2,0,GDB ChEMBL
121119,CC1OC2(C)C=CC1C1(C)CCCC1C2,0,GDB ChEMBL
115881,CC1OC(N)=NCC[NH2+]C1CCC(=O)[O-],0,GDB ChEMBL
35318,C#CCCC1(O)CCC(C)CC(C(C)C)CC1,1,GDB ChEMBL
350275,CN(C)C(C(N)=O)C(=O)CO,1,GDB ChEMBL
84960,NC(N)=[NH+]CC1CC([NH3+])C(N)C(=O)N1,0,GDB ChEMBL
28207,FC(F)(F)C1(C2CC=CC2)CCC1,1,GDB ChEMBL
142344,COc1cnc(Cl)nc1CNS(C)(=O)=O,1,GDB ChEMBL
61276,CC1CC2C(C)C2C(O)C[NH2+]1,0,GDB ChEMBL
317730,CN1C(=O)C(=O)C(=O)N(CC(=O)[O-])C(=O)C1=O,1,GDB ChEMBL
338859,CN=C(CCC(N)=O)NC(=O)CNCC[NH3+],0,GDB ChEMBL
222838,C#CCC1[NH2+]CC(O)(CC)C(C)CC1OCC,0,GDB ChEMBL
369895,CC([NH3+])C(=O)NC(C(N)=O)C(N)C#N,1,GDB ChEMBL
114999,CC(C)COC1C=CCCC1C,1,GDB ChEMBL
84466,COC(CNC(=[NH2+])C(C)C(=O)[O-])C(C)=NO,0,GDB ChEMBL
188136,C[NH2+]C(CN)C(C)C1C=CCO1,0,GDB ChEMBL
88190,C=CC1(CC)OC1(C)C(C)C[NH2+]C,0,GDB ChEMBL
280456,CCC1CCCC2(C)C(O)C2C1[NH+](C)C,0,GDB ChEMBL
284392,CC(O)C1CC2C(=O)C=CC1C21CC1,0,GDB ChEMBL
300111,COC(=O)CC([NH3+])C(=O)NC=N,1,GDB ChEMBL
297293,COc1cc(Cl)cc2c1CCC(=[NH2+])N2,0,GDB ChEMBL
152601,CN1CCC2(C)OCC(C2=O)S1(=O)=O,0,GDB ChEMBL
141976,[NH3+]C(CO)C(O)CCO,1,GDB ChEMBL
297000,COCCCC1([NH+](C)C)CCC([NH3+])C1,0,GDB ChEMBL
153707,CCC(OC)C1C(O)C1O,1,GDB ChEMBL
116079,CCC1CC(C)C2C1[NH+]2CC(C)C,0,GDB ChEMBL
84530,CC1(O)CCCNC(=O)C(C2CN2)OC1,0,GDB ChEMBL
203773,C[NH2+]C1C(NC(C)=O)C(O)C1S(N)(=O)=O,0,GDB ChEMBL
300180,CC(=O)Oc1nc(=O)n(C)c2cncnc12,1,GDB ChEMBL
206848,CCC(C)C(O)C1(OC)CNC1C(N)=[NH2+],0,GDB ChEMBL
120663,NC(=O)C12CC(=O)C(N1)C(O)C2C(=O)CO,0,GDB ChEMBL
198653,CCC1(C)[NH2+]CC12C1CC(O)C2C(=O)N1,0,GDB ChEMBL
339055,CC(C)NC(=O)C1CC(=O)C(=O)C1,1,GDB ChEMBL
252055,C[NH2+]CC1C(N)C(C(N)=O)NS1(=O)=O,0,GDB ChEMBL
152587,COC(=O)CC1CC(C)=CC(=O)C=C(C)N1,1,GDB ChEMBL
9869,CC[NH2+]C1C2CCC([NH2+]2)C1CC,0,GDB ChEMBL
117307,O=C([O-])C1CC(O)C2C(S(=O)(=O)[O-])N2C1,0,GDB ChEMBL
222833,C[NH2+]C1C(C(N)=O)C1(O)C(N)C(=O)[O-],0,GDB ChEMBL
113573,CCc1c(O)cnc(C)c1F,1,GDB ChEMBL
189883,CCC1CC(CC(C)C)C=C1C(C)(C)C,1,GDB ChEMBL
21488,CCCCN=CN1CC[NH+]=C1N,0,GDB ChEMBL
181655,CCc1c(I)cc(C)c2c1CCC[NH2+]C2,0,GDB ChEMBL
312199,CC1CCCC1CC#CCCCC[NH3+],0,GDB ChEMBL
302303,N#Cc1nn[n-]c1NCC([NH3+])C(=O)[O-],0,GDB ChEMBL
95540,CC(C)c1cnc(C([NH3+])C(C)CC(C)(C)O)s1,0,GDB ChEMBL
365996,COC12CC3C[NH+](C)C1C3(C)CO2,0,GDB ChEMBL
148885,Cc1cc(O)nc(C)c1C1CC1,1,GDB ChEMBL
45969,CC(=O)C1(NCC(C)O)CN(C)C1,1,GDB ChEMBL
277397,COC1C(O)C(NS(C)(=O)=O)C1(N)C[NH3+],0,GDB ChEMBL
285552,CC(=O)NCC([NH3+])C(O)C[NH3+],0,GDB ChEMBL
218370,C[NH+]1CCOC(=O)CC(C(=O)[O-])C12CC2,0,GDB ChEMBL
68678,Oc1ncc2[nH]ccc2n1,1,GDB ChEMBL
300159,N#Cc1cnc(F)c(F)c1CCC(N)=O,1,GDB ChEMBL
377936,OCC1C=CCC[NH2+]CCC(O)CO1,0,GDB ChEMBL
89340,CCn1ccc(N2CC3COCC2C3OC)c1,1,GDB ChEMBL
263434,CNC(CCCOC)=[NH+]C1CC=CC1,0,GDB ChEMBL
284809,CN1C(=O)CCCC1C1[NH2+]C2CC1(C)C2,0,GDB ChEMBL
274353,CCCC1(OCC)CCC1OC(C)(C)C,1,GDB ChEMBL
236535,CC1CC2CCCCCC2(C)C2CCCOC12,0,GDB ChEMBL
334801,CC(=O)N1CC(c2cc(C)ns2)C1,1,GDB ChEMBL
132975,Cc1cnc(CNC(N)=[NH2+])[nH]c1=NCCC#N,0,GDB ChEMBL
313765,CC1(CCCC[NH3+])C([NH3+])CCC2(O)CC21,0,GDB ChEMBL
376984,COC12C[NH2+]C(CO)C(O)C1C2,0,GDB ChEMBL
359080,CC1CC2(CN2)C(C([NH3+])C(N)=O)C1O,0,GDB ChEMBL
334084,CCc1cc2n(c1C)C(C[NH2+]C)C(C(C)=O)C2,0,GDB ChEMBL
117371,CC(C)C1CC2CCCC3CCCC3C1CO2,0,GDB ChEMBL
34858,O=c1cnncnc1Nc1ccccn1,0,GDB ChEMBL
258689,CCC(=O)NCC1OC(=O)C1N,1,GDB ChEMBL
343932,C#CC(CC)CC(C)C(F)(F)F,1,GDB ChEMBL
379702,CCOC1OC(C(O)C(CC)OC)CC1O,1,GDB ChEMBL
358493,O=C1CC2CC(CO2)C2CN12,0,GDB ChEMBL
99699,CCCNC(=[NH2+])C1(C#N)CCCN(CC=O)C1,0,GDB ChEMBL
249563,C#CCCC(c1ccccc1Cl)C1CC1,1,GDB ChEMBL
304605,CN=C(C)OC(C=O)C[NH+](C)CC(=O)[O-],1,GDB ChEMBL
361625,CC1=CC2(CNC(=O)NC2C)OC1,0,GDB ChEMBL
190033,C#CC1CCCC(C[NH3+])CC1Cc1ccco1,0,GDB ChEMBL
210976,COC1CC2[NH2+]CC23CCCC3C1C,0,GDB ChEMBL
195497,NC(=O)C1(C(=O)[O-])N=C(N)NC1=O,0,GDB ChEMBL
159684,CC12C(CO)CC(C(=O)C1O)C2C(N)=O,0,GDB ChEMBL
127673,C=CCc1nc(NCCOC)no1,1,GDB ChEMBL
180852,OCCCC(O)CC(Cc1ccsc1)=NO,1,GDB ChEMBL
309695,C[NH2+]C(C)C1CCN1C(=O)CS(N)(=O)=O,0,GDB ChEMBL
5873,CC1C(S(C)(=O)=O)CN1CCO,1,GDB ChEMBL
104428,C=CC1C(O)C2CNC(=O)CC12C,0,GDB ChEMBL
342380,CCC(C)C1C2=CCC(C2)CC2CC=C1C2,0,GDB ChEMBL
306315,C1CC2C(C1)C1CCC2C12CC2,1,GDB ChEMBL
358403,C#CC1NC(C)C([NH2+]CC)CC1(O)C(=O)OC,0,GDB ChEMBL
271064,[NH2+]=C1CCC=CC=CCCCCN1C1CC1,0,GDB ChEMBL
362651,C1=CC2CCCC3CC2[NH+](C1)C3,0,GDB ChEMBL
351293,CC1CC1(C=O)CCC(=O)[O-],1,GDB ChEMBL
389611,C[NH+]1CC(O)C(O)C2(C(N)=[NH2+])C(CO)C12,0,GDB ChEMBL
190856,CC1=Cc2c(Br)cccc2CC(C)CC1,1,GDB ChEMBL
159855,CC1(c2cccnc(=O)c2)COCCC(=O)N1,0,GDB ChEMBL
304281,CCC(C(N)=[NH2+])N(CCO)C(N)=[NH2+],0,GDB ChEMBL
215886,CCCC(C#N)(CC1(CC)CC1)NC(C)=[NH2+],0,GDB ChEMBL
9691,CN1C(=O)C2(O)C3OCCC(O)C1C32N,0,GDB ChEMBL
104638,CC1=CC(C)(O)C(N(C)C(C[NH3+])C[NH3+])CC1,0,GDB ChEMBL
163875,COC(=O)C1C=CCC2([NH3+])CC[NH2+]C12,0,GDB ChEMBL
142002,CC[NH2+]CC(=O)NC,1,GDB ChEMBL
202517,Cc1[nH+]c(NCC[NH3+])c(N)n1C,0,GDB ChEMBL
299160,C#CCC1CC(C)(C)CC([NH2+]C)C12CCCC2,0,GDB ChEMBL
6845,C[NH2+]C1C(C)N(C(N)=O)CC1(O)C(C[NH3+])OC,0,GDB ChEMBL
86997,C[NH2+]CCC1CC=CC1CO,0,GDB ChEMBL
305344,C#CCCCCC1CC2CC2C1C(C)CC,0,GDB ChEMBL
120383,CC(CO)N1C(=O)C2CC1C1CC21,1,GDB ChEMBL
280491,C[NH2+]C1CC2C(CN2C)C(=O)[N-]S(=O)(=O)C1,0,GDB ChEMBL
2106,CN1CC([NH3+])CC(C(N)=O)CCC1CO,0,GDB ChEMBL
322913,CCS(=O)(=O)Nc1[nH]c(CC(N)=O)cc1C,0,GDB ChEMBL
392759,O=C1C#CCOCCCCCN1,1,GDB ChEMBL
368421,CC(C)(C)C1CN1CCO,1,GDB ChEMBL
274218,N#CC12COC3CNC(=O)C31C2,0,GDB ChEMBL
4787,CC(C)CC(=O)C1(CC(F)(F)F)CCOCC1,1,GDB ChEMBL
59719,CC1OCCOCC(C(O)(C(N)=O)C(=O)[O-])O1,0,GDB ChEMBL
76102,C#CC([NH3+])C1(C(CO)C(F)(F)F)CCC1,0,GDB ChEMBL
170401,C[NH2+]CC1NC2C(=O)[N-]S(=O)(=O)C2C1O,0,GDB ChEMBL
311345,CC1C2CC(Cc3ccc(I)cc32)C1[NH3+],0,GDB ChEMBL
305978,CCc1cccc2c(C)c(C)c(C)cc2c1=O,1,GDB ChEMBL
303310,CC1C[NH+](C)CCC(O)c2c[nH]c(c2)C(=[NH2+])N1,0,GDB ChEMBL
65932,CC(CO)[NH2+]C1C(=O)NC2CN3CC3CC21,0,GDB ChEMBL
144577,CN(C(N)=O)C(=O)C1(C#N)CC(O)(C[NH3+])C1,0,GDB ChEMBL
275585,COc1cc(Br)ccc1CCC1OCC(=O)O1,1,GDB ChEMBL
352704,CC(CO)C[NH+]1CCC1CCO,0,GDB ChEMBL
354626,CC1C=CCC(CC([NH3+])C(O)C(C)O)C1,0,GDB ChEMBL
272521,CNC(=O)NC(=O)C1(C)C(O)CC[NH+]1C,0,GDB ChEMBL
21861,[NH3+]C(CO)C1CC2CCC(O)CC2O1,0,GDB ChEMBL
203775,CC1C[NH+](C)CCC(C)(C)C([NH3+])C(N)=N1,0,GDB ChEMBL
398742,CC(C)C1(C)CCCCCC12CC2,1,GDB ChEMBL
4944,C=CC12CC[NH2+]CC1(C)C2C(C)O,0,GDB ChEMBL
298081,NC(=O)C1NC(=O)CC([NH3+])C(C(=O)[O-])C1CO,0,GDB ChEMBL
352866,CCC1(C)CCCCC1CC1CCC1,1,GDB ChEMBL
321790,CC(=O)C[NH+](C)CCCC(C)O,0,GDB ChEMBL
62049,C1CCC2(C[NH2+]C1)CO2,0,GDB ChEMBL
151253,CC1OCC(C(N)C#N)C(O)C1O,1,GDB ChEMBL
362648,N#CC12[N-]C(=O)NCC1C2OC(N)=O,0,GDB ChEMBL
61865,CCCC1OCC2CC(C(O)C2C)C1CC,0,GDB ChEMBL
207718,COC(C)CC(O)C(C)C(C)OCC(N)=[NH2+],0,GDB ChEMBL
383339,CC1CC(NC(N)=[NH2+])C(O)C2(O)CC2O1,0,GDB ChEMBL
284779,CCC1CCC[NH2+]C2CC12C,0,GDB ChEMBL
7418,CC([NH3+])COC(C)C(N)C([NH3+])C(O)C(=O)[O-],0,GDB ChEMBL
117374,O=CC(COC(=O)C1CC1)CS(=O)(=O)[O-],0,GDB ChEMBL
39687,C#CC1C[NH2+]CC(Cc2cccs2)C[NH+](C)C1,0,GDB ChEMBL
34974,CCc1cn(C)c(CC(O)C(CC)CC)c1C,1,GDB ChEMBL
352214,CNC(=O)NCc1cnn(C)n1,1,GDB ChEMBL
326465,C[NH2+]CC(C)C1CCC=CC=CC2OC21C,0,GDB ChEMBL
101512,CC(C)C#CCOCC(N)=O,1,GDB ChEMBL
389411,CCNc1nc(Cl)cc(NC2COCC2=O)n1,1,GDB ChEMBL
129781,CS(=O)(=O)[N-]C(=O)COCCOC=O,0,GDB ChEMBL
280831,C#CCC1(C)CCCC1CC(C)(C)CCCC,0,GDB ChEMBL
141875,CNC(C(N)=O)C1(O)C[NH2+]C(C)C1O,0,GDB ChEMBL
308294,CC(CO)C1CC2CC(O)(C[NH2+]2)CC1(C)C[NH3+],0,GDB ChEMBL
262217,CCCC1CC(C)(C)C2CCCC(C)C2C1C,0,GDB ChEMBL
360857,CC1=CCCCC(=O)CN(C)CC1CO,0,GDB ChEMBL
112557,C[NH2+]C1C(C)C2OC1(C)OC2C(=O)[O-],0,GDB ChEMBL
138402,CCC1CC2C=CC(CC(C)[NH2+]CC2)O1,0,GDB ChEMBL
65578,CCC1Cc2cc[nH]c2CC1CC,0,GDB ChEMBL
228843,CNc1nc(CC2([NH3+])CC2)cs1,0,GDB ChEMBL
143846,C#CCC(=NC)NC(=O)COC,1,GDB ChEMBL
303862,CCC(C#N)NC(C)CC1OC1C[NH3+],0,GDB ChEMBL
323138,CC1(CO)C(C(N)=[NH2+])N1CCS(N)(=O)=O,0,GDB ChEMBL
24779,NCC([NH+]=C(N)N)C(CO)OC=O,0,GDB ChEMBL
244282,O=C1OCC2C[NH+]=C(NCC1O)N2,0,GDB ChEMBL
345771,CC(C)Nc1cc2cnc(N)c(Cl)n2n1,0,GDB ChEMBL
280768,CC1CCCCC(C)(C(C)CO)C1[NH3+],0,GDB ChEMBL
249514,C[NH+]1CCNc2c(nnn2CC[NH3+])C1,0,GDB ChEMBL
108139,O=Cc1cc(=O)[nH]c([O-])n1,0,GDB ChEMBL
6485,CCC1C2C=C(C)C1C(CO)C2,1,GDB ChEMBL
204686,N#CC12CC(O)C(=O)NC(=O)OC1C2N,0,GDB ChEMBL
45715,C#CCC(C)CCCCC1(O)C=C(C)CC1,1,GDB ChEMBL
319194,CC1CC2CC(C)[NH+]1C1CCCC2C1,0,GDB ChEMBL
178067,C#CCC(C#CC)Cc1cc(C)sc1C,1,GDB ChEMBL
338571,CN(C)c1c(N(C)S(C)(=O)=O)c(O)nn1C,1,GDB ChEMBL
110237,CC[NH+]1C(C(C)C)C=CCC1(C)CCO,0,GDB ChEMBL
101037,CCC1C(O)C(C)C2CCC=CC21,0,GDB ChEMBL
44068,COC1CN2CC2C(C)(N)C(=O)NC1=O,0,GDB ChEMBL
54829,NS(=O)(=O)CCC(=O)NCC(=O)[O-],1,GDB ChEMBL
309170,NC1C2NC(=O)OCC([NH3+])C1NC2=O,0,GDB ChEMBL
209837,CC12CCC[NH2+]CC1OC2,0,GDB ChEMBL
22837,CCCC1CCC(C)(C)C2CCC(O)C12,1,GDB ChEMBL
862,COCCC(O)[C-](C#N)C#N,0,GDB ChEMBL
338944,CCCC(C)C1(C)CC(C)C(C)C1[NH2+]C,0,GDB ChEMBL
220152,CC[NH2+]CC1(CC)CC(C[NH3+])CCCC(C)[NH2+]1,0,GDB ChEMBL
140877,CC#CCc1cc(I)c(OC)cc1I,1,GDB ChEMBL
47406,CCCCCC1(C2CC2)CCCC1,1,GDB ChEMBL
358107,CC1(O)C(C(=O)[O-])NC(=O)C2COC21,0,GDB ChEMBL
61668,CCC([NH2+]CCC(C)O)C1(CC[NH3+])CO1,0,GDB ChEMBL
336584,Cc1ccc(Cl)nc1CCO,1,GDB ChEMBL
305176,[NH2+]=C1NCC(O)C1(C[NH3+])C(=O)[O-],0,GDB ChEMBL
276059,N#CC(NS(=O)(=O)CC(=O)[O-])C1CN1,0,GDB ChEMBL
282240,Cc1cc2ncnc(NC(=O)CCC[NH3+])n2n1,1,GDB ChEMBL
316305,CNC(=O)NC1CC(O)C(O)C([NH3+])C1N,0,GDB ChEMBL
221899,CCC1CC2C(CC)OC(CCO1)C2OC,0,GDB ChEMBL
41310,COc1cc(I)cc(OC2CC2)c1,1,GDB ChEMBL
380386,O=C1N2CCC(CO)C2Cc2c[nH]c(=O)n21,1,GDB ChEMBL
155044,CCCC(C=O)(OC)C1CCOC1,1,GDB ChEMBL
187192,NC(=[NH2+])CC(C[NH3+])CC1OCCC1O,0,GDB ChEMBL
235552,C#CCC1[NH2+]C2CC(C)CC1C(CCC)C2,0,GDB ChEMBL
115017,Cc1cncn1C1CC(C)CC(C)(C)C1C,0,GDB ChEMBL
93416,CNC(=O)NCC1CCC(C)(C)[NH+]1C,0,GDB ChEMBL
173877,CC1=CC(C)(C)NC(=O)C2CC1[NH2+]CC2C,0,GDB ChEMBL
242617,CC(CC([NH3+])C(=O)[O-])C1CNS(=O)(=O)O1,0,GDB ChEMBL
289428,CC(CC#N)C1C(=O)OCC2(C)C([NH3+])C12,0,GDB ChEMBL
23933,CC#CC12CC13CCCC(O)C3CC2[NH2+]C,0,GDB ChEMBL
203640,COC(C)C(N)C(C#N)OS(N)(=O)=O,1,GDB ChEMBL
120830,CCCC1CC1(C[NH2+]CCO)C1CC=CC1,0,GDB ChEMBL
369300,CN=C(NC=O)NC(=N)NC(=O)CN,1,GDB ChEMBL
216170,C#CC1=CC(C)(C)[NH+](C)CCCC(C)[NH2+]C1,0,GDB ChEMBL
372504,CCCC1CC([NH3+])CCC2CC[NH2+]C2(C)CO1,0,GDB ChEMBL
303343,CC1OCC(O)C1CC(O)CO,1,GDB ChEMBL
23640,C#CCC1OC1C([NH3+])C(C)CC,0,GDB ChEMBL
95551,CC(O)C([NH3+])C1C(=O)[N-]S(=O)(=O)CC1O,0,GDB ChEMBL
186618,C[NH2+]C12CN(CCOC(C)(C)CC1C)C2,0,GDB ChEMBL
336580,C#Cc1cc(CC)c(C)c(C#CCC)c1C,1,GDB ChEMBL
354368,CCC(CC)CC(C)C(CO)C(C)C,0,GDB ChEMBL
4974,CC([NH3+])C1CC(C)C(CC[NH3+])CCC1C[NH3+],0,GDB ChEMBL
116382,NC1=[NH+]CC2C(CCO1)OC(=O)C2N,0,GDB ChEMBL
332423,Cn1cc(C23CC(C[NH2+]2)C3)c([N-]S(C)(=O)=O)n1,0,GDB ChEMBL
299592,CC[NH2+]CC1OC(CO)(C(N)=O)C1O,0,GDB ChEMBL
230737,CC(CNc1nccs1)S(N)(=O)=O,1,GDB ChEMBL
152078,C[NH2+]C1C2C1C(O)(CO)C(C(N)=O)N2C,0,GDB ChEMBL
358312,CCCC(C)CCCC1CC2CCC(O)(C1)C2,1,GDB ChEMBL
204352,CC#CC(=N)OCC1C(O)CC[NH+]1C,0,GDB ChEMBL
330366,N#CC1CC2(CC2)NC(=O)C(O)C1C[NH3+],0,GDB ChEMBL
273799,NC(=O)OCCCC(=N[O-])c1ccon1,0,GDB ChEMBL
13879,CCCC1CC2CCCC(CCC2)C1C(C)C,0,GDB ChEMBL
257518,O=c1occc2c1NCCC2,1,GDB ChEMBL
375549,CCC(CC)CN1CC1CO,1,GDB ChEMBL
206802,N=C1NC(=O)C(CO)(CCC(=O)[O-])C1(O)C=O,0,GDB ChEMBL
81067,C=C1CC2NC(=O)C3[NH2+]C2C(C)C13,0,GDB ChEMBL
54789,COc1c(C)nc(F)c2c1CC(OC)C2O,0,GDB ChEMBL
97152,CC(COCC(=O)[O-])N1CS(=O)(=O)C1,0,GDB ChEMBL
73298,CC[NH2+]C1C=C(C(C)=O)C(C)N(C)CC1,0,GDB ChEMBL
391270,C#CCC1C=CC2C1CCCC2(C)C(C)C,0,GDB ChEMBL
42240,CC(C1OC(=N)C1NC(N)=[NH2+])N(C)C(N)=O,0,GDB ChEMBL
273663,CC(O)(CCS(=O)(=O)[O-])CC([NH3+])CN,0,GDB ChEMBL
191573,COC(C[NH2+]CC(C)CC(C)[NH3+])C(C)(C)CO,0,GDB ChEMBL
351421,N#Cc1c(O)c(Cl)c(N)c(N)c1OC1CC1,1,GDB ChEMBL
142906,CCC(C)C([NH2+]C)C(C)[NH3+],0,GDB ChEMBL
240022,COC1C2C(=O)NC(C)C1C1OC2C[NH2+]C1C,0,GDB ChEMBL
192603,CCOc1cn[nH]c1CCCOCC(N)=O,0,GDB ChEMBL
142531,[NH2+]=C1NCC1(O)CCC1CCOCC1,0,GDB ChEMBL
10961,C#CC1[NH2+]C2CNC(=O)CC(O)C1(O)C2,0,GDB ChEMBL
353232,COC(=O)C1C([NH3+])C1(C)C[NH3+],0,GDB ChEMBL
109785,CCNC(=N)c1nc(COC(N)=O)no1,1,GDB ChEMBL
348648,CC(=O)NC1CC23CC4CC2C3C41,0,GDB ChEMBL
203297,NC1(C2CCc3occc3C(=O)O2)CC[NH2+]C1,0,GDB ChEMBL
366611,CCC1CCCCCC(C)(C2CC2)C1,0,GDB ChEMBL
271319,C[NH2+]CC1CCN=C(N2CC2)O1,0,GDB ChEMBL
263446,Cc1cc2c(nc1F)CC(C)(C)C2=O,1,GDB ChEMBL
374890,CC1OC(CO)CC1NC=O,1,GDB ChEMBL
290008,CC(=N[O-])c1nc(N)nc(O)c1C,0,GDB ChEMBL
132312,O=C1NCc2[nH]nc(O)c2C2C(O)CCC2N1,0,GDB ChEMBL
263844,CC(C[NH3+])C(C)(O)CC(N)(C(=O)[O-])C([NH3+])CO,0,GDB ChEMBL
249419,CC(C)OC(C)(C)Cn1ccnc1C(=O)[O-],0,GDB ChEMBL
374363,CC1(C)COC2(C[NH3+])CCCC2[NH2+]1,0,GDB ChEMBL
161973,CCC1C2CC3(CO2)C(O)CCC13,0,GDB ChEMBL
277777,C#CC1CC(C)[NH+](C(CC)CC(C)(C)C)C1C,0,GDB ChEMBL
31043,C[NH2+]CC1C[NH2+]C1C(C)C(C)C(N)=O,0,GDB ChEMBL
17558,CNC(=O)COC1CN(C)CC(=O)CC1C,0,GDB ChEMBL
29920,NC(CC(=O)NC1=NCCO1)=[NH+]CCCC[NH3+],0,GDB ChEMBL
136150,CN(c1ncc[nH]1)C(C(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
387276,NC(=O)OCCCCC1CN=C(N)C1=NO,0,GDB ChEMBL
170292,Cc1nc(N)c(=O)[nH]c1C(C)C,1,GDB ChEMBL
195349,CCC(C)C[NH+](C)C(C)C1CC1,0,GDB ChEMBL
337154,CN(CC(=O)[O-])C(=O)C(C#N)(CN)OC=O,1,GDB ChEMBL
127760,C[NH2+]C1CN(C)C2C(=O)NC1C2C=O,0,GDB ChEMBL
185973,CCc1ccc(F)c2c1C1C(=C2)CC1CC,1,GDB ChEMBL
378246,CC1CC(C[NH3+])NC1=[NH+]C(CCC#N)C(=O)[O-],0,GDB ChEMBL
255484,CCC#Cc1nc(NCCO)sc1N,1,GDB ChEMBL
155172,C#CCCCc1cc(Cl)c(CC)c(Cl)c1,1,GDB ChEMBL
397973,CC[NH2+]C1CN=C(N(C)C)OC1,0,GDB ChEMBL
17655,CC(NS(=O)(=O)C1C(C)([NH3+])C1(C)O)C(=O)[O-],0,GDB ChEMBL
87641,CCOC1(C)C(=O)C2(C)CC1[NH+](C)CC2C,0,GDB ChEMBL
119237,CCCC(CC)C(CC)C1CCCCC1(C)C,0,GDB ChEMBL
166432,CCC(C)CC12CCCC1CCC2,1,GDB ChEMBL
259624,O=C([O-])C1[NH2+]C2CC3C2CCCC13,0,GDB ChEMBL
107041,CNC(C)C(N)(C#N)CS(N)(=O)=O,1,GDB ChEMBL
155041,CC1CN1CCC([NH3+])CC(C)(N)C[NH3+],0,GDB ChEMBL
304621,COC1(C2CC2)C2CC(C)(O)CC21,0,GDB ChEMBL
304075,N#CCCn1nnc(CN)c1C#N,1,GDB ChEMBL
372138,CC1CC(C(C)C)C2CCC3CCC(O1)C32C,0,GDB ChEMBL
18847,CCOC12CC=CC1C(C(C)C)CC2,0,GDB ChEMBL
127888,NC(C[NH3+])C1(C(=O)[O-])COC(=O)N1,0,GDB ChEMBL
203876,OC1C=CC2CCC[NH+]2C1,0,GDB ChEMBL
317580,CC1CCC(CCC2CC[NH2+]2)CC1C,0,GDB ChEMBL
265514,O=C1NC2C(O)C1C2(CO)C(=O)[O-],0,GDB ChEMBL
358569,O=C([O-])CC12Cn3nccc3C1CC2=O,0,GDB ChEMBL
208228,CCN1CC2(O)CC2(C(N)=O)NC1=[NH2+],0,GDB ChEMBL
308314,COC(C)C(C)OC(=O)C(N)C#N,1,GDB ChEMBL
236661,CN1C(=O)C2OCC3(C)C2C13,0,GDB ChEMBL
17450,CC1CC(C)C(C#N)OC2CC1NCC(=O)O2,0,GDB ChEMBL
247351,CCC1(C(C)[NH2+]C)OC1C,0,GDB ChEMBL
286893,[NH3+]C1C2C(O)COC12C(=O)NCC(=O)[O-],0,GDB ChEMBL
191722,CC12CCCC1CC(CCCC1C[NH2+]C1)C2,0,GDB ChEMBL
236614,COC12CC([NH3+])CC1C1CC(CC2C)NC1=O,0,GDB ChEMBL
288598,COCC1([NH3+])C2NC(C[NH3+])C(O)C21,0,GDB ChEMBL
280008,CCC1CC(C(O)COC)C1C(C)=O,0,GDB ChEMBL
214857,CCCCCC([NH3+])c1cc(C)c(NC)nc1F,0,GDB ChEMBL
18637,CC1OC(C(=O)[O-])C2(C[NH2+]C2C(C)O)O1,0,GDB ChEMBL
234995,CC#CC1CC(CC)c2ccc(CC)cc21,0,GDB ChEMBL
130203,C[NH2+]C(C)C1(C)C(O)COCC(O)C1COC,0,GDB ChEMBL
152033,CCC(C)[NH2+]C1CCC2(C)CCN(C)C12,0,GDB ChEMBL
300720,C[NH2+]C1C(C=O)C(C(C)O)OC1C(C)C,0,GDB ChEMBL
356485,C#CC1CC(OCCC)C1(C)C[NH+](C)C,0,GDB ChEMBL
156015,NC(=O)CC(O)C(O)C(C[NH3+])OC(N)=O,0,GDB ChEMBL
136561,CC1C[NH2+]CCCCCC2CC(C)(C)CCC12,0,GDB ChEMBL
338814,CCCCN(C)C(=NCC1CO1)S(C)(=O)=O,1,GDB ChEMBL
87015,CCCCC1(C)OCC2(CC#N)C(O)C12,0,GDB ChEMBL
317717,CCCC1=CCCCCC(C(C)C)CC=C1,0,GDB ChEMBL
262517,COc1ccc(F)c(C)c1C1NC1CO,0,GDB ChEMBL
265241,CC1CC2CC(CC#N)[NH+]1C2,0,GDB ChEMBL
292916,CC1=C(C(=O)[O-])C(CCO)CC=CC1,0,GDB ChEMBL
112796,CCC1CC(=O)C(C(C)C)(C2CC2)C1,1,GDB ChEMBL
61680,O=S(=O)(CCCN1CC1)[N-]c1cccnn1,0,GDB ChEMBL
184297,CCC(CC=O)[NH+]1CCC(=N)NC(=O)CC1C,0,GDB ChEMBL
305498,Fc1c2ccnc1C[NH2+]CCCCOC2,0,GDB ChEMBL
297239,CC(=O)NC(=O)c1c(N)nc(N)n1C,1,GDB ChEMBL
203249,COCCc1c(C)c2c(c(O)c1F)C(C)CO2,0,GDB ChEMBL
323933,CCC(O)C#CCC(C(N)=O)C(N)=O,1,GDB ChEMBL
132293,C#CC1(C)C(CC)CC(C)C1C(O)CC[NH2+]C,0,GDB ChEMBL
165927,C#CCC(O)C(C1CC1C)C1CC1C,0,GDB ChEMBL
34218,CCC1(C(=O)N(C)CC#N)CC1[NH3+],1,GDB ChEMBL
384266,CNC(=O)NC(=O)Cn1ccsc1=NCC=O,1,GDB ChEMBL
12774,C[NH2+]C(C#CC(CCNC(N)=O)=NO)CO,0,GDB ChEMBL
29211,CC([NH3+])CCOC1Cn2ncnc2CO1,1,GDB ChEMBL
149383,Cc1nc(NC=O)cnc1OC(C)(C)C[NH3+],0,GDB ChEMBL
116344,Cc1ccc2c(c1)CC1CC1C2,1,GDB ChEMBL
223991,CCC1C(C)C1C(C)C1CC[NH2+]CC1,0,GDB ChEMBL
225477,Cc1cc(Br)cc(C2C3CC=CC(C)C32)c1,0,GDB ChEMBL
258327,CCc1c(C)n(C)c2ccc(I)c(C(C)C)c12,1,GDB ChEMBL
386208,C#CC1C(CCC)C2CCC[NH+]12,0,GDB ChEMBL
253570,NC1C2C[NH2+]C1CC(NC=O)C(O)C2,0,GDB ChEMBL
127282,CCCc1[nH]c2ccnc(CC)c2c(=O)c1I,1,GDB ChEMBL
278168,CCC(C#N)C1(C)C(O)C=C(C)C1CO,0,GDB ChEMBL
230745,COC1C(C)CC2C(CN)[NH2+]C21,0,GDB ChEMBL
10975,CCC[NH+]1C2CC(C)CC2C2CC1C(C)(C)C2,0,GDB ChEMBL
346991,CCC1CCNC(C)(C(F)(F)F)CC1,0,GDB ChEMBL
6071,Cc1c(O)cc(Br)cc1CCOC1CC1O,1,GDB ChEMBL
136157,C[NH2+]C1CC2C(CC(C)=O)C2OC1C,0,GDB ChEMBL
1054,CCCN1CC(C)[NH+]=C1NC(C[NH3+])CC(C)C,0,GDB ChEMBL
28324,CC1CCC(C)C2CCC=CCC2(C)C1,0,GDB ChEMBL
234483,C[NH+]1CCC(CO)(C2CC2)N=C2CC1CO2,0,GDB ChEMBL
286997,NC(=O)C1CNC(=[NH2+])CC(CO)C(=O)O1,0,GDB ChEMBL
51360,NC(=O)OC(c1ccnc(Br)c1)C1CCO1,1,GDB ChEMBL
284309,C#CC1COCCC(C)(OC)C1,0,GDB ChEMBL
156529,CCC[NH+](C)Cc1cc(OC)cnc1C(C)O,0,GDB ChEMBL
394343,CCN1CC2(CC(O)C2)CC([NH3+])C1C[NH2+]C,0,GDB ChEMBL
103495,CCC1(C)CCCC2CC(CC(C)[NH+]2C)C1,0,GDB ChEMBL
60962,C#CC(C(O)CO)C1(C=O)CCCCC1,0,GDB ChEMBL
45981,C#Cc1cc2c(O)c(c(C)cccn1)CC2,0,GDB ChEMBL
198628,C#CCC1CCC(C)(C2CCC2)CC1,0,GDB ChEMBL
135373,CC1CN1CC1CC1(C)C#N,1,GDB ChEMBL
382194,C#CC1=CCc2ccc(cc2Cl)CC#CC1,0,GDB ChEMBL
67635,CCC1(C#N)CC(=O)NC(N)=NC(CO)C1N,0,GDB ChEMBL
284665,CCCCC1(CCC(C)C)C(C)CCC1CC,0,GDB ChEMBL
260169,COC(C)C1(C)C(O)C1CCC#N,0,GDB ChEMBL
136703,CC1C(O)C2C[NH2+]CC2C1[NH+](C)C,0,GDB ChEMBL
208285,Cc1ccccc1CCCO,1,GDB ChEMBL
293829,NC(=[NH2+])C1CNCC(O)C(C(=O)[O-])C(=O)N1,0,GDB ChEMBL
104470,C#CC(C)C[NH2+]CCS(=O)(=O)NCC(C)[NH3+],0,GDB ChEMBL
9898,CC1CCc2ccc(C#N)ccn(C)cc2C1,0,GDB ChEMBL
211149,C#CC12CC[NH2+]C(C)C(O)CC1O2,0,GDB ChEMBL
76804,NC(N)=[NH+]C1C(=O)NC2(C[NH3+])COC(=O)C12,0,GDB ChEMBL
348432,NC(=O)C(C[NH3+])C1C2COC1C(CCO)O2,0,GDB ChEMBL
98841,C#Cc1cc(N(C)CC2CCCC2)ccc1C,1,GDB ChEMBL
99102,CC#CCC#CCOCCO,1,GDB ChEMBL
207336,C[NH2+]CC(CO)C1(C)CNC(=O)OC1,0,GDB ChEMBL
358530,Cc1cc(C2=C3CCC3CC2)ccc1Cl,0,GDB ChEMBL
124216,CC1C2C3CC=CC3c3cc(F)ccc3N12,0,GDB ChEMBL
196704,N#CC1NCC(O)C(C#N)C1(N)CCO,0,GDB ChEMBL
85025,CCC1CCC(C)C2(C)C(CC1)CC[NH+]2CC,0,GDB ChEMBL
147385,CC1=CC2CC[NH+](C2)C1C(C)C,0,GDB ChEMBL
132871,COC(CO)C(C)(O)C(C)C(C)C(N)=O,0,GDB ChEMBL
172778,CC(C)(C)C1CCCc2cccc(I)c2C[NH2+]1,0,GDB ChEMBL
74287,CCC1C=CCC(C)=CC1=O,1,GDB ChEMBL
200711,CC1(C(=O)[O-])CC2C(C1O)C2(N)C#N,0,GDB ChEMBL
104745,CCCC1CC2CC(OCC)(CC(=O)O1)C2,0,GDB ChEMBL
94831,C#CCc1cc(C[NH+](CC)CC)c(C)cc1Br,0,GDB ChEMBL
186034,C[NH+](C)C1c2c(C#N)ccn2CC2CC1C2,0,GDB ChEMBL
184072,N=C1NC(=O)C(C[NH+]=C(N)N)C1C(=O)[O-],0,GDB ChEMBL
79632,[NH3+]C(C(O)C(=O)[O-])C12NC1CNC2=O,0,GDB ChEMBL
248223,CC(OC(=O)C1NCCC1=NO)C(N)=O,1,GDB ChEMBL
218839,CCC1([NH2+]C)C(OC)C[NH2+]C(C)C1C(N)C[NH3+],0,GDB ChEMBL
29642,NC(=[NH2+])C1(C(=O)[O-])C(=O)N2CCC2C1C[NH3+],0,GDB ChEMBL
397072,O=CC12CCC1=Cc1cc(Br)ccc1OC2,0,GDB ChEMBL
368540,CNC(N)=[NH+]CC1OCOC1C(=O)[O-],0,GDB ChEMBL
261457,CCC(C)C1(C(C(C)O)[NH+](C)C)CC1C,0,GDB ChEMBL
95899,Cc1c(C2CC23CCC=CC3C)ccn1C,0,GDB ChEMBL
323310,CCOC1CC=CCC2(O)C(C1)C2(C)C,0,GDB ChEMBL
379869,C#CC(CC(C)C)c1cnc(OC)c(Cl)c1C,0,GDB ChEMBL
375696,CCC1C(O)CC2C1C[NH+]2C,0,GDB ChEMBL
277815,O=C1NC(=O)C2C[C-]1S(=O)(=O)CC2O,0,GDB ChEMBL
182283,CC1CCOC1C(C)C[NH2+]C1CC(C)(O)C1,0,GDB ChEMBL
35996,CCC1(C)C2COCC1C(C[NH3+])C2,0,GDB ChEMBL
248208,COCC(O)C1(NC(N)=O)C[NH2+]C1,0,GDB ChEMBL
349507,CNS(=O)(=O)C1NC(=O)C(N)C1OC,0,GDB ChEMBL
307578,C#CC(C)(C#C)CCCC[NH2+]CC=O,0,GDB ChEMBL
78334,C[NH2+]CCCn1ncoc1=O,1,GDB ChEMBL
374379,C[NH2+]CC1(OC)CC(CC#N)NC1C[NH3+],0,GDB ChEMBL
50859,NC(=[NH2+])NC1=[NH+]CCC(CO)N1,0,GDB ChEMBL
84201,C[NH+]1CCOCCC(C#CC2CC2)C1,0,GDB ChEMBL
61934,C#CCc1cc(C)c(Cl)c(C)c1C#CC,1,GDB ChEMBL
304146,OCC12CC(O)CC[NH2+]C(CO1)C(O)C2,0,GDB ChEMBL
192593,CC(CC([NH3+])Cc1cc[nH]n1)C1COCC1[NH3+],0,GDB ChEMBL
143158,C#CC1(C)CC(OC)(C(C)[NH2+]C)CN1C,0,GDB ChEMBL
228459,CC[NH2+]CC1C2=CCC1C=CCCC2,0,GDB ChEMBL
216528,COC(C[NH3+])CNCCC[NH3+],0,GDB ChEMBL
155813,CC([NH3+])C(CC1CN1C)C(N)=O,0,GDB ChEMBL
389475,CC12CC3C[NH2+]C4CC(C3O1)C2C4,0,GDB ChEMBL
84230,CCN(C)CC(C=O)[NH+]=CNCC[NH2+]C,0,GDB ChEMBL
277807,CCCC(C)C(C)C12CCCCC(CC1)CC2,0,GDB ChEMBL
354451,COC1CC([NH3+])CC(C(C)(C#N)CO)C1(C)[NH3+],0,GDB ChEMBL
147438,CCC(=O)n1ccc([O-])n1,0,GDB ChEMBL
61707,CC(C)CC1(O)CC(C)CC2OC1OC2C[NH3+],0,GDB ChEMBL
77352,CC(C)[NH2+]C1C(CO)C(C(N)=O)C2(C)NC12,0,GDB ChEMBL
260148,NC(=O)NC1CN(C(N)=O)C1,1,GDB ChEMBL
157688,Cc1c([O-])nc(NCCO)sc1=O,0,GDB ChEMBL
2119,CCC(O)(CN1CCCCCNC1=[NH2+])C(N)=[NH2+],0,GDB ChEMBL
298243,C[NH2+]C1C(O)CC2COC(C)C21C,0,GDB ChEMBL
41265,CCNC(=[NH2+])C1(C(C)(C)CC#N)CCNC1=O,0,GDB ChEMBL
79263,C#CCOCc1nc(C)c(CC)n1CC,1,GDB ChEMBL
126928,C#CCCC1(C#C)CC[NH+](C)CC1,0,GDB ChEMBL
8758,CC1(C)COC(C2CC2CO)CC[NH2+]1,0,GDB ChEMBL
208305,C[NH2+]C(CS(=O)(=O)[O-])C1COC(N)=N1,0,GDB ChEMBL
249576,CCOC1C(O)C2CC1C(C)O2,1,GDB ChEMBL
166442,Cc1cccc(C(C)CC2(C)CC2)c1F,1,GDB ChEMBL
317327,C#CCCCC1(C)CC2CCCC2(C)C1CC,0,GDB ChEMBL
26598,CC(C([NH3+])C(O)C(=O)[O-])C1NC1CO,0,GDB ChEMBL
58446,CCCOC1C(O)C1NC(CO)C(O)C[NH3+],0,GDB ChEMBL
216495,CCOC1(COC)CC1C1(C)CCC(C)C1,0,GDB ChEMBL
181582,CC1CC2CC[NH+](C)CC3C2N3C1=O,0,GDB ChEMBL
151824,CCNC12CCN(C)C(=[NH2+])C(C1)OC2=O,0,GDB ChEMBL
230511,COCC1([NH3+])CC2(CC2)OCC1CC(=O)[O-],0,GDB ChEMBL
185311,CCC1CCC(C)c2cc(Cl)ccc21,1,GDB ChEMBL
310099,Cc1ncc(Br)nc1C1CCC([NH3+])CC1,0,GDB ChEMBL
294230,N#CCOC1C(NC(N)=[NH2+])C1n1cccc1,0,GDB ChEMBL
29655,C#CCCOC(=O)[N-]C(=O)C=O,0,GDB ChEMBL
247581,CCCC1OCC1C1CC[NH2+]C1,0,GDB ChEMBL
366576,C#CCCC(O)(CN=CNC(C)=O)CC(=O)[O-],0,GDB ChEMBL
377969,COC1OC(CO)C(=O)N(C)CC1=NO,1,GDB ChEMBL
301477,Nc1cc(N)c([C-]2COC(=O)C2=O)c(CO)[nH+]1,0,GDB ChEMBL
175836,NC(=O)CC(=O)C1(CCO)CNC(=[NH2+])N1,0,GDB ChEMBL
345485,O=C1CCCCN1CC12CCCC1N2,0,GDB ChEMBL
317998,C[NH+](C)CC1C2NC(=O)C(C)(N)C12C[NH3+],0,GDB ChEMBL
305241,CC#CC(C)c1cc(CC)c(F)c(=O)[nH]1,0,GDB ChEMBL
140784,CCC1(N)C(=O)NC2CC1([NH2+]CCO)C2,0,GDB ChEMBL
81149,CCC1C([NH2+]CCCO)CC2CC1C(C)(C)C2,0,GDB ChEMBL
161096,CN1CC2C([NH3+])C(O)C1C21CNC(C#N)CO1,0,GDB ChEMBL
340484,CCC(C)C1CCC2C(C)(C)C12CC[NH3+],0,GDB ChEMBL
356536,CCC(C#N)C1[NH+](C(C)C)CCC1(CC)C[NH3+],0,GDB ChEMBL
77866,Nc1snc(CC(=O)[O-])c1C(=O)[O-],0,GDB ChEMBL
73317,CCc1cn(S(C)(=O)=O)c(CNC(N)=[NH2+])n1,0,GDB ChEMBL
277105,CN(C=Cn1cncn1)C(=O)C[NH3+],0,GDB ChEMBL
316466,CN1CC2C([NH3+])C2S(=O)(=O)[N-]C1=O,0,GDB ChEMBL
76739,O=C1CCC(C2CS(=O)(=O)CC23CO3)N1,0,GDB ChEMBL
188091,CC#CC1C2C[NH+]1C(CO)CC2C#N,0,GDB ChEMBL
22832,Nc1cncc(N)c1C(=O)[O-],0,GDB ChEMBL
252345,CC(=O)NCC1C([NH3+])CC2N(C)C12C#N,0,GDB ChEMBL
310111,COC(=O)C(CCO)C(=O)C=O,1,GDB ChEMBL
139813,C[NH2+]CC1C(OC)CC1C(=O)CO,0,GDB ChEMBL
302472,C=CC1NC1(C(N)=[NH2+])C(=O)OCC,0,GDB ChEMBL
228317,CCC1C(C)CCCCC2C=CC1(C)C2,0,GDB ChEMBL
240815,COCCCC(N)=C(C[NH3+])C(N)=O,0,GDB ChEMBL
22476,NC(=O)C1C(O)C2NC(=O)OC21C[NH3+],0,GDB ChEMBL
372145,CC(C)(C[NH3+])OC(=N)NC(=O)C(O)C(=O)[O-],0,GDB ChEMBL
151808,CCC[NH2+]C1CCC=C2CCC(C)C2C1[NH3+],0,GDB ChEMBL
116342,CC1C=C2CN(CCCC(F)(F)F)CC2O1,1,GDB ChEMBL
68626,CC1(C#N)NS(=O)(=O)C2C(NCCO)C21N,0,GDB ChEMBL
155777,CC1C(O)C(CCCO)C2CC12,0,GDB ChEMBL
330135,Cc1ncn(C)c(C[NH3+])cnc(N)c1C[NH3+],0,GDB ChEMBL
9837,C[NH2+]CC1N=C(N)C(=N)OC1C[NH2+]CCO,0,GDB ChEMBL
76110,C#CC#Cc1cccc(C=CC)c1,1,GDB ChEMBL
94842,C[NH+]1C2CC3CCCC(C2)C31C,0,GDB ChEMBL
26381,CCCC1CCC(CCC)C1C1CC1,0,GDB ChEMBL
388466,COCc1cncn1C1CCOC1=N,1,GDB ChEMBL
87490,NC(=O)C1CC(S(N)(=O)=O)C2OC(=O)C12,0,GDB ChEMBL
122888,N=C1OC2C(C(=O)[O-])OC1C2NC(N)=O,0,GDB ChEMBL
48527,CC1=CC2C(O)C2(NC(CO)CC#N)C1,0,GDB ChEMBL
280756,CC(C)C(C)(C)OCC[NH2+]CCC1CC1,1,GDB ChEMBL
44061,C#CCCCc1cc(Br)c(CC#C)c(CC)c1,1,GDB ChEMBL
155183,CCC[NH+]1CCC2C(CC)CC(C)(C1)C2(C)[NH3+],0,GDB ChEMBL
359088,CC1=CC(O)C(C2(C#N)CC([NH3+])C2)C(=O)N1,0,GDB ChEMBL
317754,COC1(C2[NH+](C)CC3CC32N)CC1,0,GDB ChEMBL
1061,C[NH2+]CC1C[NH2+]C(C2CC2)C1N,0,GDB ChEMBL
355123,CC1(CCO)OC1C1CCOC1,0,GDB ChEMBL
339973,CC(C)OCC[NH+]1CCCCC2(C)CC12,0,GDB ChEMBL
27946,CC1C(O)C2CC1C(O)CCO2,0,GDB ChEMBL
221933,CC(N)=[NH+]CC(C#N)CC(O)CC(C)[NH3+],0,GDB ChEMBL
228845,COCC1(CC2CC2)C(C)C1[NH3+],0,GDB ChEMBL
151693,CCCN1C2COC(C)C(C)C21,0,GDB ChEMBL
182276,CCCC1C=CC2(OCC)CC(C1)C2,0,GDB ChEMBL
251875,CCC1CC2(C)CC(=O)C1CC[NH+]2C,0,GDB ChEMBL
133152,Cc1cc(CCO)c2c(C)c[nH]c2c1I,1,GDB ChEMBL
148776,CC12CC(O)CC3OC(C([NH3+])C(=O)N1)C32,0,GDB ChEMBL
274031,CCC1NC2=NCC(O)C2C1O,0,GDB ChEMBL
350716,CNS(=O)(=O)CC1C([NH3+])C1C(O)C[NH3+],0,GDB ChEMBL
209465,N#CCC(O)C1C[NH2+]CC1O,0,GDB ChEMBL
159754,CS(=O)(=O)CC1NCC(=O)NC1=O,1,GDB ChEMBL
147905,CC1[NH2+]C(C(=O)[O-])C2(C([NH3+])C2O)C1C[NH3+],0,GDB ChEMBL
292508,CCOC1C(C)C(O)C=CC12CCC2,1,GDB ChEMBL
339094,OCC1[NH2+]CCC2OCOC12,1,GDB ChEMBL
127255,CC([NH3+])COC(=O)Cc1nc(=O)cnn1C,0,GDB ChEMBL
305060,Cc1noc2c(NC=O)c(Cl)cc([O-])c12,0,GDB ChEMBL
352856,CC(=O)N1C2COC3(C2)C([NH3+])C13,0,GDB ChEMBL
207385,CCC12COC(C1C(=O)C(N)=O)C(C)(C)O2,0,GDB ChEMBL
370340,CCCC1(c2n[nH]cc2CC(C)C)CC1,1,GDB ChEMBL
288147,CC(C)(C#N)C1=NCCC(O)CO1,0,GDB ChEMBL
314144,CC(O)C1N=C(N)OC1(C(N)=O)C(N)CO,0,GDB ChEMBL
102326,C=CC[NH2+]C(CCO)CC(F)(F)F,0,GDB ChEMBL
338099,Cc1cc(Br)c2c(c1C)C(C)CCCC2C,1,GDB ChEMBL
259347,CC1OC(C)C2(CC2)CC1O,1,GDB ChEMBL
278873,CC1OCC(=N)OCCNC1=O,1,GDB ChEMBL
61552,N#CCC(CO)(N=C(N)N)C(=O)C(N)=O,0,GDB ChEMBL
80214,CCCC1C2CC([NH2+]C)C3OC3C12,0,GDB ChEMBL
313334,CC1=CCC=CCCCC([NH3+])(CC#N)C1,0,GDB ChEMBL
165935,CC1CC2N1C2(C[NH3+])C(=O)[O-],0,GDB ChEMBL
182272,NC(=O)N1CC2CC(O)(C1)C2OCCO,0,GDB ChEMBL
39744,[NH2+]=C1NCC2OC(CO)C(O)C2N1,0,GDB ChEMBL
343985,CC1[NH2+]Cc2c(C(C)(O)CCCO)cn(C)c21,0,GDB ChEMBL
138406,C#CC1NCCC(CC)C1[NH3+],0,GDB ChEMBL
196462,COC(=O)c1ncc(C)cc1N,1,GDB ChEMBL
43517,CC(O)c1nc(N)ccc(C(N)=O)scc1N,0,GDB ChEMBL
259570,CCc1cc(C(C)(C#N)CC(C)C)ccc1Br,1,GDB ChEMBL
202526,CC1C(C([NH3+])C(=O)[O-])C1S(N)(=O)=O,0,GDB ChEMBL
245860,CCC1C(C)CCCC1CC#CCC1CC1,1,GDB ChEMBL
29430,C#CCC(C)(C)Cc1c(F)ccnc1N,1,GDB ChEMBL
195188,CC1CCC(C[NH3+])C2OC2CC1,0,GDB ChEMBL
76972,C#CC[NH+](C)C(C)Cc1ccc(I)nc1,0,GDB ChEMBL
277666,N#CC1NC(CC(N)=O)C(O)(CO)C([NH3+])C1O,0,GDB ChEMBL
278213,CC1=CC2CCC2C1c1ccc(F)cc1,0,GDB ChEMBL
289965,CCCC1(CCC)COC1,1,GDB ChEMBL
301497,C#Cc1c[nH]c2c1CN(C)C(=O)CC2=N[O-],0,GDB ChEMBL
248885,C[NH2+]CCn1cc(C)c(NC(N)=[NH2+])n1,0,GDB ChEMBL
317356,CCOC1(C)C2C(=O)N(C(N)=O)C1C2C,0,GDB ChEMBL
330524,CC1CC(c2cccc(I)c2)CC12CC2C,0,GDB ChEMBL
251065,CCC1CC(C)(C(C)=O)C2CC(C)C1C2,0,GDB ChEMBL
210995,CCCCC(COC)C(=O)Oc1snnc1N,0,GDB ChEMBL
62823,CCCC1(CC)CC1C[NH2+]CC,0,GDB ChEMBL
397944,CCC1(CC)CCC([NH3+])CC1,0,GDB ChEMBL
209460,CNC(C=O)C(C)C(C=O)[NH2+]C,0,GDB ChEMBL
301481,CCOCC#CCC1CN1,1,GDB ChEMBL
230279,CC[NH+]1CCCC2(CC1)CC(=O)C2O,0,GDB ChEMBL
235917,N#CCN1C=NCCNCC([NH3+])C1=O,0,GDB ChEMBL
43514,NC(=[NH2+])CC1OC2=NCCN2C1=O,0,GDB ChEMBL
105948,CNC(=O)C1NC(=O)C(CNCC[NH3+])NC1=O,0,GDB ChEMBL
16041,CC1CCN1c1c(Br)cc(Br)cc1Br,1,GDB ChEMBL
31988,CC(=O)NC(C)(C)C(=O)c1cc(N)cnc1F,1,GDB ChEMBL
284377,CC1[NH2+]C(CO)C2(C)OC(CC#N)CC12,0,GDB ChEMBL
177077,CCC(C)(CC)C(=O)N1C(=O)OCC1(C)CO,1,GDB ChEMBL
214931,C#CC1C2C(C)C(C[NH+]2C)C1(C)CCC,0,GDB ChEMBL
310984,CCC(=O)CCC(C)(C)CC,1,GDB ChEMBL
204354,CCNC1=NCC(C=O)N1C(=O)C[NH+]=C(N)N,0,GDB ChEMBL
338995,COC12CCN(C)C1C2[NH3+],0,GDB ChEMBL
111518,CCC(CC#CCC[NH3+])[NH2+]C,0,GDB ChEMBL
289267,CC(CO)CN1C2C[NH2+]CC21,0,GDB ChEMBL
5863,C#CC(C)(C)C(C)Cc1c(Cl)ccc(C)c1C,1,GDB ChEMBL
387050,COC1CC2(C)CC1C(OC)C2[NH3+],0,GDB ChEMBL
350931,CCCC1CC2CC1c1c(CC)cc(Cl)cc12,0,GDB ChEMBL
288467,COCC1NC(=O)CC(C[NH3+])C1[NH3+],0,GDB ChEMBL
201031,CC(=O)NC1C(C#N)C2OC12,0,GDB ChEMBL
99626,CC(O)C(COS(N)(=O)=O)C(O)CC(N)=O,1,GDB ChEMBL
266239,CC([NH3+])CCC(O)C1CNC(=O)NCC(=[NH2+])N1,0,GDB ChEMBL
351330,CC1C2C(C#N)CCOC(=O)C12O,0,GDB ChEMBL
92319,CC#CC1CCCCCC1(C)C,1,GDB ChEMBL
195243,CCC(O)C([NH3+])c1c(C#N)cnn1C,0,GDB ChEMBL
66641,COc1nc(C#N)cc2cc(C)nn12,1,GDB ChEMBL
79378,CC#CC1(O)CC[NH2+]CC1(C)C,0,GDB ChEMBL
142908,C1#CC2C=CCC2COc2ccccc2C1,0,GDB ChEMBL
4833,CCCCC(C)C(C)CCO,1,GDB ChEMBL
157375,CCC(C)(C)CC1=CCC(C)C1,1,GDB ChEMBL
207689,CCC1C(C)C2CC=CCCC1(C)C2,0,GDB ChEMBL
395942,CCCC1(C)CC=C2C(CC)CC(C)C21,0,GDB ChEMBL
361135,CC(C)c1ncc(Br)c(O)n1,1,GDB ChEMBL
47545,O=S1(=O)C=Cc2cc(ncn2)NCCC1,0,GDB ChEMBL
148329,CC#CC1=CC(C(C)(C)C)C(C)CCCC1,1,GDB ChEMBL
119886,CC1CC(C)CC(C2C=CCCCCC2)C1,0,GDB ChEMBL
116392,CNC1(C(=O)[O-])C(O)C(N)C1C#N,0,GDB ChEMBL
129795,NC(=O)C1[NH2+]C2C(CC2n2cnnn2)C1O,0,GDB ChEMBL
214921,CCCC12CCCCC1C2(C)C,1,GDB ChEMBL
396128,C#Cc1cc(CC(=C)CO)ccn1,1,GDB ChEMBL
293801,C#CCNc1n[nH]cc1NCC(=O)[O-],1,GDB ChEMBL
19380,CCCC1=C(C)C(=O)CCC(C)CC1C,0,GDB ChEMBL
384275,C#CC(=O)[N-]C(C#N)C(C)[NH3+],0,GDB ChEMBL
141717,C#CC(C#C)c1c(CC)ccc(C)c1CCO,0,GDB ChEMBL
363217,CNC1C2NC(=O)OC1C2NC(N)=[NH2+],0,GDB ChEMBL
126606,CCCC1CC=CC2C(CC3CC[NH+]2C3)[NH2+]1,0,GDB ChEMBL
232101,NC(=O)C1CNS(=O)(=O)C2CC2CN1,0,GDB ChEMBL
301146,CC1=CC2CCCC=CC(C1)[NH2+]2,0,GDB ChEMBL
102126,CC1=CC2Oc3cccc(F)c3C2C(=O)C1,0,GDB ChEMBL
153733,CCCOC(=O)NCCS(=O)(=O)C1CN1C,0,GDB ChEMBL
116061,CC1C([NH3+])CN1CC([NH3+])C(=O)[O-],0,GDB ChEMBL
342366,N#Cc1c[n-]c(=O)c(COCC[NH3+])c1Cl,0,GDB ChEMBL
249470,CC1(C[NH3+])C=CC2C([NH3+])C(CO)OC2(C)C1,0,GDB ChEMBL
336054,CC1CC2C(C)CC(C)(C)CCC[NH2+]C2C1C,0,GDB ChEMBL
308730,COC1CC(=O)C(O)C12CC2,1,GDB ChEMBL
49135,CCCCCCc1cc2c(C)c(I)nnn2c1,0,GDB ChEMBL
261350,COC(=O)C(C[NH3+])NS(=O)(=O)C(=O)[O-],0,GDB ChEMBL
152633,CNC(=O)OCCOC(N)=[NH2+],1,GDB ChEMBL
35017,CC(O)C1(C(=O)[O-])C(=O)NC(C(O)C[NH3+])C1[NH3+],0,GDB ChEMBL
317313,CN(CC(=O)CO)CC(=O)N(C)CCC=O,1,GDB ChEMBL
379691,CC#CCC1(C)C[NH+](C)C(C)CC(C)(C)O1,0,GDB ChEMBL
153725,CC1=CCC2(O)C[NH+](CC1)CC2C,0,GDB ChEMBL
77782,CCNC(=N)S(=O)(=O)C(CCO)C(=O)NC,0,GDB ChEMBL
51393,CCC1CC(C)(C(=O)NC)C2(C)[NH2+]CC12,0,GDB ChEMBL
161094,CCC(O)C(C)(O)C(N)C#N,1,GDB ChEMBL
129438,CCC1=C(c2ccccc2)CC(=[NH2+])N1,0,GDB ChEMBL
21743,C[NH2+]C1C(CO)NC(C([NH3+])CC(C)OC)C1N,0,GDB ChEMBL
343266,C[NH+]=C(N)c1cc(I)cc(O)c1[O-],1,GDB ChEMBL
93738,CCCC(C)C1(C)CCCC(C)C(C)CCC1,0,GDB ChEMBL
300570,CC(C)CC([NH3+])CN1C2CCC1(C)C2C#N,0,GDB ChEMBL
259607,CC1NC(=[NH2+])OCC1(C)C(O)C[NH3+],0,GDB ChEMBL
124224,CCCCC1CC=C(C)CC(C)=CC1,0,GDB ChEMBL
85874,CNC(=O)c1cocnc1=O,0,GDB ChEMBL
293813,CCCC1C2CC2(N)C(CC)[NH+]1CC,0,GDB ChEMBL
370304,CCCCC1(C[NH3+])C(C)C1C,0,GDB ChEMBL
208364,CC(C)C[NH+]=CNC(N)=[NH2+],0,GDB ChEMBL
131623,CCc1coc(C)c1OC(CCOC)C(C)C,1,GDB ChEMBL
395907,CC[NH2+]CC1C(O)C(O)C1(N)C(=O)[O-],0,GDB ChEMBL
191304,CC1=CC2C(C)(C)C2(CCC(C)C)CC1=O,0,GDB ChEMBL
356841,CCCC(C)C1CC1C(CC)C(C)(C)C,0,GDB ChEMBL
294781,CCN(C=O)C1C(C#N)C1(O)C[NH3+],0,GDB ChEMBL
5199,C[NH2+]CCC(C)N(C=O)C(C=O)C(N)=O,0,GDB ChEMBL
141818,CC1OC(=O)N(C)CC1C=CCO,0,GDB ChEMBL
330399,CC(CO)C1C[NH2+]CCC1C(=O)[O-],1,GDB ChEMBL
23601,C[NH2+]CC1C[NH2+]C1(C)CCCOC(C)C,0,GDB ChEMBL
73805,CC1Cc2cc(COC3CC3)cc(Br)c2C1,1,GDB ChEMBL
217115,CN1C(=O)NC2(CC2CCO)C1C[NH3+],0,GDB ChEMBL
259668,C#CC1(CO)C2CCCCC(CC[NH2+]2)C1O,0,GDB ChEMBL
389383,Cc1cccn2nccc12,1,GDB ChEMBL
35490,Cc1ccsc1NC(=O)C(N)=O,1,GDB ChEMBL
283404,CC[NH2+]C12COC(=O)C1C2,0,GDB ChEMBL
190270,C#CC(=O)NCC1(C)CC1C(O)C(F)(F)F,1,GDB ChEMBL
60622,C=C1C2C(C)CC1[NH+](C)C2CCC,0,GDB ChEMBL
275528,CC(=O)NC1C=CC=CC=C1,1,GDB ChEMBL
1462,O=C1OCC2=CCC3CCC(CC3)OC1C2,0,GDB ChEMBL
182910,C#CC1=CCC2(C)CC(C1)CC(C)[NH+](C)C2,0,GDB ChEMBL
99809,CCCC(CO)C[c-]1[nH]c(=O)cc1C=O,0,GDB ChEMBL
126403,C[NH2+]C(C)C(C)C(C)(C)c1c(Br)cccc1Br,0,GDB ChEMBL
389071,CC#CC12CC([NH2+]1)C(=O)N(C)CC2C(=O)[O-],0,GDB ChEMBL
383922,CS(=O)(=O)N1C2CC(CO)C1C([NH3+])C2C(N)=O,0,GDB ChEMBL
1518,CCN1C(=O)OC2CC([NH3+])(CC)C2(O)C1=O,0,GDB ChEMBL
59188,CC(CC=O)NC(=O)OCC(N)=[NH2+],0,GDB ChEMBL
101901,CCC1C2CCCC1[NH2+]C2,0,GDB ChEMBL
195278,CCC1=CCOC(=O)NC1(C#N)CC(N)=O,0,GDB ChEMBL
53085,C[NH2+]CC(C)NC1(C(O)CCOC)CC1,0,GDB ChEMBL
205742,CC#CCc1cccc(Br)c1OC(C)C,1,GDB ChEMBL
385418,CCCC1(C2C(CC)C2CC)C[NH2+]C1,0,GDB ChEMBL
330503,CC12CC1[NH2+]CC2C(=O)CO,0,GDB ChEMBL
185978,COC(c1ccc(C(C)(C)C)cc1O)C(C)C,1,GDB ChEMBL
124801,Nc1nc(O)cc(C2CCC2O)n1,0,GDB ChEMBL
48019,CCC(C)(CC)C(C)CC1C[NH+]2CCC1C2C,0,GDB ChEMBL
264930,Cc1cccc2c1CC(C1CCC1)C2,1,GDB ChEMBL
191409,CC(C)C1C([NH3+])CCOCC2CC21,0,GDB ChEMBL
235507,CC1C(N(C)CC#N)C1(C)C,1,GDB ChEMBL
133208,CCc1cc(Cl)c(C)cc1C(C)(C)CC,1,GDB ChEMBL
216165,CCC12CC(CC=C1C)C(=O)O2,1,GDB ChEMBL
304495,Cc1c(O)c2c(c3[nH]ncc13)C1CC2C[NH2+]1,0,GDB ChEMBL
359161,CN1CC2(C(O)CO)CC23COC(=O)C13,0,GDB ChEMBL
9882,Cc1cccc(C(C)C)cc(C)c2cc1CC2,0,GDB ChEMBL
230273,CCN1C2C(CO)OC3CC(O)CC321,0,GDB ChEMBL
258704,[NH3+]CC(=O)NC(CO)C1CN1,0,GDB ChEMBL
265312,CC1C=CC#Cc2c(Br)cccc2CC1,1,GDB ChEMBL
25242,N#Cc1cc(O)nc(C(=O)[O-])n1,0,GDB ChEMBL
79381,[NH3+]C1C2CC3(O)CCNC(=O)OC3C12,0,GDB ChEMBL
76754,CCCCC(C)C1CC1C1CC=CC1C=O,1,GDB ChEMBL
40294,CC(=[NH2+])N1CCC([NH3+])CC(CCC[NH3+])C1,0,GDB ChEMBL
136425,CCC1C=C(C)C(C)C(C(N)=O)C(C)C1,0,GDB ChEMBL
11216,CCC12CCC(OC1)C1CCCC(C)C2C1,0,GDB ChEMBL
64674,CCC1C(OC)C1[NH+](C)C,0,GDB ChEMBL
148487,CCC1=Cc2cccc(Cl)c2CC2CC12,1,GDB ChEMBL
126394,CC(COC(=O)NC(=N)N(C)C=[NH2+])CC(N)=O,0,GDB ChEMBL
112783,C[NH2+]CC1C(C)OCC(O)C([NH3+])C1C(C)(C)[NH3+],0,GDB ChEMBL
292735,C[NH2+]C(C1COC(C)C(OC)O1)C(O)C(N)=O,0,GDB ChEMBL
34364,C[NH+]=C(N)NC1CC(C)(O)C2COC(=O)C12,0,GDB ChEMBL
5023,COCC12CC([NH+]3CC(N)C(N)C3)CC1C2,0,GDB ChEMBL
182255,CC1COC(C2OC3CC[NH+](C)C2C3)CC[NH2+]1,0,GDB ChEMBL
185993,C[NH2+]CC1(O)C([NH3+])C(C)C2CC21,0,GDB ChEMBL
284676,C=CC1CC([NH2+]C)C2CCC(O)C12,0,GDB ChEMBL
199494,COCC(C#N)OS(=O)(=O)NCC[NH3+],0,GDB ChEMBL
250647,CC(CC#CC[NH3+])C(O)C(N)=O,0,GDB ChEMBL
83143,C[NH+](C)CC1(C)CC(=O)C(C(C=O)CCO)O1,0,GDB ChEMBL
40448,C[NH2+]CCCOC(C)(C)c1ccn2c1CCC2,1,GDB ChEMBL
143464,C#CCc1cc(C)cc(NC)c1,1,GDB ChEMBL
63097,CCCCC1CCC23CC12C1CCC3[NH+]1C,0,GDB ChEMBL
203541,C[NH2+]CC1C(=O)CNC1C=O,0,GDB ChEMBL
234398,CCC1C2OC(C)C(C(=O)[O-])(CC2C)C1CC,0,GDB ChEMBL
118118,C#CC1OCCN(C(=O)C(=N)N)C(=O)CC1C,0,GDB ChEMBL
391339,CC1(O)CC2CNC1C(=O)OC2CO,0,GDB ChEMBL
338527,CC(C)CCc1c(Cl)nc2c(c1C=O)CCO2,1,GDB ChEMBL
76984,C#Cc1c(N)sc2c(O)cc(Cl)cc12,1,GDB ChEMBL
216191,COC1C(O)CC([NH3+])(C(N)CO)CC1(C)C,0,GDB ChEMBL
190226,C#CC(O)Cc1cc(C)n(C)c1,1,GDB ChEMBL
673,N#CCC1CCCCC2C(C1)N2C=O,0,GDB ChEMBL
136068,CC1C2[NH2+]CC(C)(O)C1CC2O,0,GDB ChEMBL
11748,N#CCN1C2C3CC(O)C21C(=O)O3,0,GDB ChEMBL
184467,CC(=O)N(C)C1COC(=N)C=C1CC(C)[NH3+],0,GDB ChEMBL
274955,C[NH2+]CC(=O)C(=O)Nc1c[nH]cc1C(N)=[NH2+],0,GDB ChEMBL
332425,CCC(CC)CC1C(C)C2CC2C1C,0,GDB ChEMBL
368462,CCCCC(C)C(CC)C1(C)CC2CCC1C2,0,GDB ChEMBL
76967,O=C1C2CC[NH2+]CCC1O2,0,GDB ChEMBL
359183,CC#CC1(CCCC)CCCC1CC,0,GDB ChEMBL
256131,CCC(C1CC=CC(C)C1)C(F)(F)F,0,GDB ChEMBL
127197,CCC(C)[NH2+]C1CC[NH2+]CC2CC21C,0,GDB ChEMBL
301394,CC[NH2+]CC(=O)NC1=NCCO1,1,GDB ChEMBL
314128,Cc1cc(Cl)cc2ncc(C(N)CC#N)n12,1,GDB ChEMBL
61903,CCC(C)C(C1CC2C=CC1C2)C(C)(C)C,0,GDB ChEMBL
204591,COC1CC2(C)CCC1(C1CCCC1)CC2,0,GDB ChEMBL
45959,COC1C(C)C2C=CCC2(C)C1O,0,GDB ChEMBL
348865,CCC(C(C)O)C(C)C1CC(C=O)C(NC)=[NH+]1,0,GDB ChEMBL
26873,CC(=N)N1C=NC2(CNC2C(=O)[O-])C1=O,0,GDB ChEMBL
318114,[NH3+]C1CCC2(CC1)C[NH2+]C2,0,GDB ChEMBL
398779,CCC1CC2=CC=CCCCC1C2,0,GDB ChEMBL
337371,CCOCC12C=C(C)CC1CC2C(C)[NH3+],0,GDB ChEMBL
169379,CCCCC1C=C2C=Cc3cccn3C2C1,0,GDB ChEMBL
383950,CC1(C)C=CCC(Cc2ccoc2)C1,1,GDB ChEMBL
222785,CC(C)CC1CC2C3CC13C[NH+]2C,0,GDB ChEMBL
118690,C#CCCC1=CCC2C(C)CCCC2CC1,0,GDB ChEMBL
134475,C=CCC(CCC)C1CCCC1=C,1,GDB ChEMBL
60604,CC[NH+](CC)C1CCC2C(C)C(=O)C1C2C,0,GDB ChEMBL
220208,CC(C)[NH+](C)CCCc1cc(=N)ncnc1[O-],0,GDB ChEMBL
358182,N#CC12CN(C1)C1C(=O)OCC12,0,GDB ChEMBL
234433,NC(=O)C(NCC(=O)[O-])c1cc([O-])[nH]n1,0,GDB ChEMBL
126953,CC#Cc1c(Cl)cnc(Cl)c1NCC,1,GDB ChEMBL
124749,C[NH2+]CC(C)C1C2CN(S(C)(=O)=O)C1C2O,0,GDB ChEMBL
77049,CCCC1CC(CCC[NH3+])(OC)C1CC,0,GDB ChEMBL
119921,CC1CCCn2cccc2CC12CC2,1,GDB ChEMBL
16534,CC12CCC(CCOCO1)CC2,1,GDB ChEMBL
159714,N=c1sc(C2(O)CCOCC2)nn1CC(N)=O,1,GDB ChEMBL
366512,CC#Cc1nc(CC)ccc1Cl,1,GDB ChEMBL
66686,CC(C[NH2+]C1CC1)N1CC1,0,GDB ChEMBL
375711,CNC(=O)C(O)(C[NH3+])C(C[NH3+])NC=O,0,GDB ChEMBL
280473,CCC1N(C)C(=O)C(C)([NH3+])C(O)C1(CO)CO,0,GDB ChEMBL
4956,C#CCCc1cccc(Cl)c1CC#C,1,GDB ChEMBL
133008,CCC([NH3+])c1c(F)ccc(C)c1C(C)(C)CO,0,GDB ChEMBL
151805,OC1C2CCC(CC2)N2CC12,0,GDB ChEMBL
10555,CC=C1CCCc2ccccc2C1,1,GDB ChEMBL
35301,CNC(=[NH2+])C1C([NH3+])CC(O)C1(C)C(N)=O,0,GDB ChEMBL
108146,COc1snnc1C(=O)CCC(=O)[O-],0,GDB ChEMBL
338869,CCC(=NO)C(C)(CO)CC1CC1,0,GDB ChEMBL
273994,C#CC1C=CCC(=O)C(=O)OCCC1,0,GDB ChEMBL
396724,CN(CCO)C(=[NH2+])CCNc1nc(N)n(C)n1,0,GDB ChEMBL
334761,CC(O)C1NS(=O)(=O)C2OC(=O)CC12,0,GDB ChEMBL
395915,CC#CCC(CC)C1CC1CC(C)C,0,GDB ChEMBL
24506,O=S1(=O)CC2C(C[NH2+]C2C(O)CO)N1,0,GDB ChEMBL
330731,CCC1C=CC2C3CCC(=O)N(CC1C)C23,0,GDB ChEMBL
94723,CCOc1c(NC(N)=[NH2+])ncc(C)c1C,0,GDB ChEMBL
37631,NC1CCC(O)CC2=CCC[NH2+]C21,0,GDB ChEMBL
338834,C#CC(C#C)c1c(C)ccc(F)c1C(F)(F)F,1,GDB ChEMBL
393960,CC(C)C(C)CC1(C2CCCC2)CCCCC1,0,GDB ChEMBL
271796,CS(=O)(=O)[N-]C(=O)C1C(O)CC(C#N)C1O,0,GDB ChEMBL
81473,C[NH2+]C1(C(N)=O)C(O)C2COC(=O)C(N2)C1O,0,GDB ChEMBL
116097,ON=C1CC2CC(CCCC3CC3)[NH+](C1)C2,0,GDB ChEMBL
9926,C#CC1CC1(OCC)C(F)(F)F,1,GDB ChEMBL
17293,CC12CCC(OCC1O)C(CO)C2,0,GDB ChEMBL
62118,C#CCn1c(C[NH2+]CC(N)=O)cc(NC)c1N,0,GDB ChEMBL
292559,C=CCC1([NH2+]C)C(O)C1COCC,0,GDB ChEMBL
246409,CCc1n[nH]c(C)c1Cc1cncnn1,1,GDB ChEMBL
221351,CC1=CC2CCC(C(C)(C)C)C2CC1,0,GDB ChEMBL
300189,CCC1CC=CC1C(C)C(C)CC(C)C,0,GDB ChEMBL
151046,N#CC12CCC(=O)C(CO)C(O)C1NC2,0,GDB ChEMBL
102185,CCC1CCC(CC)C2CC(=O)NC1CC2C,0,GDB ChEMBL
395129,CCCC#Cc1c(C)ncc(CC)c1I,1,GDB ChEMBL
396081,OCC1(C2CO2)CC[NH2+]CC1,1,GDB ChEMBL
157059,CNC1C(=O)[N-]C1(C#N)C(C)CO,0,GDB ChEMBL
140756,CCc1nn(C)cc1[N+](=O)[O-],1,GDB ChEMBL
34304,CCCCc1ccncc2c1[nH]c1cncc12,0,GDB ChEMBL
181679,C#CCc1c(I)cc(C=O)c2c1CCO2,1,GDB ChEMBL
321450,CCCC1(C)CC(C)(C)[NH2+]C1CC,0,GDB ChEMBL
389414,CC(C)C1C=CC2OC2CCC1CO,0,GDB ChEMBL
258222,COCC1C2CC(C(C#N)N2)C1S(C)(=O)=O,0,GDB ChEMBL
370335,C#CC(=CCC(C)C)CC(=C)CC,1,GDB ChEMBL
394279,COC(=O)CN(C)CC#N,1,GDB ChEMBL
248224,C#Cc1cc2c(cc1I)CCCC(C)(C)CC2,1,GDB ChEMBL
161769,N#CC1CC(CO)C[NH+]2CC1C2,0,GDB ChEMBL
296598,C#CCCCC(N)=[NH+]CC=O,0,GDB ChEMBL
318031,C#Cc1csc(C2(C#N)CCC=CCC2)c1,1,GDB ChEMBL
44671,CNC12C([NH3+])C(O)CC1C2N(C)C(C)=O,0,GDB ChEMBL
147906,C=C1COCc2c(ccnc2F)C1,1,GDB ChEMBL
75050,CC1CNC(=O)C2C[NH2+]C1CC1OC1C2C,0,GDB ChEMBL
85646,CCOC1CC1C1=CCCCCC=C1,0,GDB ChEMBL
87075,C#CCCCc1c(Cl)cc(N)cc1C#CC,1,GDB ChEMBL
367825,CC(=O)C=CCCCC=CC(N)=O,1,GDB ChEMBL
124114,CCC1CC(C)C2(OC)CCC12CO,0,GDB ChEMBL
67865,CS(=O)(=O)N(C=N)CCNC(N)=[NH2+],1,GDB ChEMBL
317185,C[NH2+]CCN1CCC([NH3+])C2C([NH3+])CCC2C1,0,GDB ChEMBL
182940,O=C1CCC(CO)C#CC2CN1C2,0,GDB ChEMBL
279119,CC1CC2C=CC1C(=O)OC2,0,GDB ChEMBL
237968,CNC(=O)C(O)CC1(O)CCC1C(N)=O,0,GDB ChEMBL
194236,Cc1nc(S([NH-])(=O)=O)oc1CCC(=O)[O-],0,GDB ChEMBL
38555,CC1CC(C)[NH2+]C2C(=O)COC2C1,0,GDB ChEMBL
235644,C#CC1=CCc2c(CCCC)ccc(C)c21,0,GDB ChEMBL
222877,COC(C#N)C(C)CN1CC1,1,GDB ChEMBL
209475,N#CC1NC2C(O)CCNC1C2O,0,GDB ChEMBL
101538,C#CCC1C(CCC)N1CCCOC,0,GDB ChEMBL
304278,N#CCCC1C2CC(C2)CN1CC[NH3+],0,GDB ChEMBL
87130,N#CC1COCC(O)C1NC(N)=O,1,GDB ChEMBL
27941,C=CCCc1cc(C)cc(C)c1C,1,GDB ChEMBL
132721,CCOC12CCC(CC(C)OC1)C2,0,GDB ChEMBL
174791,O=CC1=CC(O)CC[NH2+]CC1,0,GDB ChEMBL
372197,NC(=[NH2+])N1CCC1CCO,1,GDB ChEMBL
196525,CCS(=O)(=O)c1c(C=O)c([O-])nn(C)c1=O,0,GDB ChEMBL
307989,C#CC1C(=O)C2CC[NH2+]C(C2)CC1CC(=O)[O-],0,GDB ChEMBL
81742,C#CC(=O)N1CC(C)(C#CCCC)C1,1,GDB ChEMBL
267949,CCN1C2C(C)C(C#N)CC2(O)CS1(=O)=O,0,GDB ChEMBL
249511,CC(=CCC[NH+]1CC(O)C1)CC[NH3+],0,GDB ChEMBL
72002,COCC(=O)c1cc(F)c2c(c1)CCC(=[NH2+])N2,0,GDB ChEMBL
10609,CC1C2C=C(C(=O)[O-])C1OC(=O)N2,0,GDB ChEMBL
360992,CCC(C#N)CS(=O)(=O)N1CC1,1,GDB ChEMBL
337396,CNC1=[NH+]C2C(=O)NCC(N1)C2C(O)CO,0,GDB ChEMBL
48534,CNc1nc(CO)c(NCC[NH+](C)C)nc1N,0,GDB ChEMBL
41276,CN1CC2CC(CNc3ncc1cc3O)C2,1,GDB ChEMBL
306356,C#CC(C=O)NC(=O)C(C)(C)O,1,GDB ChEMBL
25194,CC1OCC(=O)Nc2cc(cc(N)n2)CO1,1,GDB ChEMBL
303894,COc1ncc2ncn(CCC(=O)[O-])c(N)c1-2,0,GDB ChEMBL
306355,CCC(C)C(C)C1NC(=[NH2+])NCCC1(C)C#N,0,GDB ChEMBL
87126,CNC(=O)C(O)(C(=O)[O-])C(O)CN1CC1,0,GDB ChEMBL
286273,CC1CCCC2C3C[NH+](C)C(C1)C23,0,GDB ChEMBL
308708,O=C(CO)NCCOc1ncon1,1,GDB ChEMBL
196737,CC(CO)c1nc(O)c(C(N)=O)cc1O,0,GDB ChEMBL
251889,C[NH+]1CCC(=NO)C(CCO)C2CC(C2)C1,0,GDB ChEMBL
61805,COC(C)C1C(=O)OC(CO)(CO)C1O,0,GDB ChEMBL
332359,OCc1cc2c(cncco1)CCN2,0,GDB ChEMBL
120872,CNC1=[NH+]CCC1C(N)=O,0,GDB ChEMBL
10603,CN=C1CC(CNC(N)=[NH2+])C(=O)O1,0,GDB ChEMBL
209417,C=Cn1cc(CNC(N)=O)nc1C,1,GDB ChEMBL
9828,C=CC1CCCC(CC)C1C=CC,0,GDB ChEMBL
21727,CC1[NH2+]C2C(OCC2(O)CC(N)=O)OC1C,0,GDB ChEMBL
321842,COCC(=N[O-])C1(CC(=O)[O-])C[NH2+]CCO1,0,GDB ChEMBL
136022,CC12CCC3CC1CCC2CC3=O,0,GDB ChEMBL
218310,CCC#CCC(C)C(CC(C)(C)C)C1CC1,0,GDB ChEMBL
59649,N#CCC1OC1(CO)C(N)=O,0,GDB ChEMBL
316458,COCC(=O)N1C2C(C)CC(C)(C[NH3+])C21,0,GDB ChEMBL
156787,CC1CC2(C)C[NH+]1CC2O,0,GDB ChEMBL
274418,NC(C([NH3+])CO)C([NH3+])CCC([NH3+])C(=O)[O-],0,GDB ChEMBL
155090,CC1(O)C(O)CC(CC[NH3+])CC2CC21,0,GDB ChEMBL
221123,CC1CC2C=CC(CC1[NH2+]CCN)C21CO1,0,GDB ChEMBL
347859,Cc1cc(Br)c2c(c1)CC(=O)CNCCC2C,1,GDB ChEMBL
317176,Nc1ncnc2c1C(=O)C1NCC1OCC2,0,GDB ChEMBL
310282,CCN1C(=O)C2CC(O)C13CC23C,0,GDB ChEMBL
379258,CC1=CC2(O)CC(C1)C(=O)N(C(=N)N)C2=N,0,GDB ChEMBL
119816,CCC1OCCC1[NH2+]C,0,GDB ChEMBL
126925,COc1cc(OCc2ccn[nH]2)cnc1Cl,1,GDB ChEMBL
124180,CN=C(c1cc(C)cs1)N(C)CC(=O)N(C)C,0,GDB ChEMBL
140285,CCCCC#CC(C)C,1,GDB ChEMBL
79280,CCC1(C)CCCC2CCCCC1C2,0,GDB ChEMBL
190393,Cc1ccc(C(C)O)cc1O,1,GDB ChEMBL
302605,CC1C(NCCO)=[NH+]CCCCC1(C)O,0,GDB ChEMBL
315231,CNC(=O)OC(C)C1C(O)CN1C,1,GDB ChEMBL
31997,COC1CC2NC(=O)NC2C(C)C1C,0,GDB ChEMBL
234499,Cc1cc(N)c(NC(=O)N(C)C)n1C,1,GDB ChEMBL
278836,C[NH+]=CNC1CC2CNC(=O)C(C1)[NH+](C)C2C,0,GDB ChEMBL
339992,CCC1C(CO)[NH+](C)CC1([NH3+])C(C)C,0,GDB ChEMBL
146038,CC(C)C1CCCC2CCCC1C(C)CC2C,0,GDB ChEMBL
227564,CC(=O)NC(C)C12C(O)CCC1([NH3+])C2N,0,GDB ChEMBL
310780,[NH3+]CC(C[NH3+])CCC1COCO1,0,GDB ChEMBL
197480,C=C(C(C)C(C)=O)C1(COC)CC1,0,GDB ChEMBL
42572,CC(C)(C)c1nc(C(C)(C)C#N)ncc1C[NH3+],0,GDB ChEMBL
265253,COCC(NCC(N)=[NH+]CCN)C(=O)[O-],0,GDB ChEMBL
234989,O=C1C(CCCO)C2CN12,0,GDB ChEMBL
305955,CC1C([NH3+])COC(=O)C(N)C1O,0,GDB ChEMBL
141748,CC#CCN(C)C1(C#N)CCCCC1,1,GDB ChEMBL
132229,Cc1ccc2c(c1)C1C(C2)C(C)C2CCC21,0,GDB ChEMBL
40266,NC1C(=O)NC(=O)NCC(O)C1C[NH3+],0,GDB ChEMBL
186565,CC1NC(=O)C(NC(N)=O)C1([NH3+])C(=O)[O-],0,GDB ChEMBL
60628,C[NH2+]C(CO)c1ccnc(CS(C)(=O)=O)n1,0,GDB ChEMBL
214912,C#CCS(=O)(=O)NCC(O)CC[NH3+],0,GDB ChEMBL
227261,CC1CC(=O)N2CC(C=NO)CC2C(=O)O1,1,GDB ChEMBL
47377,CCCOCc1c(C)oc2c1ncn2CC,0,GDB ChEMBL
127677,CC1C(C(N)=O)[NH+]=CN1C,0,GDB ChEMBL
181147,CC(O)C1CC([NH+](C)C)C2NC12,0,GDB ChEMBL
277736,CC(=N)N1CCC(O)C2OC2C1=O,1,GDB ChEMBL
111557,CCC1(CC)CC(C)CC1(C)CC1CCCC1,0,GDB ChEMBL
9993,O=C1NC2(CC2)CNC12CC2,1,GDB ChEMBL
248647,C#CCC1C(CC)C(C)C[NH+]1C,0,GDB ChEMBL
203119,CC1(C)CC2CCCCCC(C3CC3)(C2)[NH2+]1,0,GDB ChEMBL
170086,O=C1OC2C3CNC1CC32O,0,GDB ChEMBL
314104,CC1(C)CC([NH3+])C(O)C(O)CC2C[NH2+]C1C2,0,GDB ChEMBL
260542,[NH3+]C1COC23CCNC(=O)C2C3C1O,0,GDB ChEMBL
363566,COCC([NH3+])c1cc(C[NH3+])[nH]c1C,0,GDB ChEMBL
355025,Brc1ccc(C2=CCC=CCCC2)cc1,1,GDB ChEMBL
173944,C#CC#CC(C)(C)C(O)C(=O)NCC,0,GDB ChEMBL
382193,CN1C(=O)C2CC(=O)C3C2C31,0,GDB ChEMBL
78669,Clc1cccc2c1C1(CC1)CO2,1,GDB ChEMBL
149367,C#CC([NH3+])C(C(C)C(=O)[O-])C1CC1C,0,GDB ChEMBL
59624,C[NH2+]C(C)C(CC(O)C[NH+]=C(N)N)S(=O)(=O)[O-],0,GDB ChEMBL
207344,CC1(C)C(CC[NH3+])[NH2+]CC2CCOC21CC#N,0,GDB ChEMBL
203431,CCc1cn(C)nc2cc(N)nc1-2,0,GDB ChEMBL
286125,CNC(=[NH2+])C(C[NH2+]C)C(C)(O)CC(N)C[NH3+],0,GDB ChEMBL
304116,CCOC1C(C(O)C=O)[NH2+]CC1C(C)(C)CC,0,GDB ChEMBL
317745,C#CC1CC(CC)[NH2+]C2CCC(C)C12,0,GDB ChEMBL
291890,[NH3+]CC(=O)NCC1COC(=O)N1,1,GDB ChEMBL
133153,CC1CC23CC2C1[NH+]1CCCC13,0,GDB ChEMBL
118440,CCCC1C(C)CC(C)(O)CCCC(=O)C1C,0,GDB ChEMBL
95548,CC(C#N)C#CC1CCOC(=O)C(=O)N1,0,GDB ChEMBL
70983,CNc1cc(N)[nH+]c(N)c1C(C)=O,0,GDB ChEMBL
186752,COC1C(=O)C=CN(C(C)C)CC1(C)C,0,GDB ChEMBL
175717,CC(CC12CCC([NH3+])(CC1)C2)OC(=O)CC#N,0,GDB ChEMBL
302593,N#CC(NC(=N)C(N)(C#N)CN)C(=O)[O-],0,GDB ChEMBL
252306,C[NH2+]C1(C(C)C)C(=O)NCC2CC1C2,0,GDB ChEMBL
298212,CC(C)C#CC[NH2+]C1CCCOC1,0,GDB ChEMBL
174646,CCOCC([NH3+])COC1(C)CCOC(=O)C1,0,GDB ChEMBL
254981,N=CN1CC(O)C([NH3+])CNC1=O,0,GDB ChEMBL
12840,C#CC(N)C(CC#N)(C[NH2+]C)NCC,0,GDB ChEMBL
75849,C#CC(C)(CC)C1CC1C(=O)N1CCCC1,0,GDB ChEMBL
298909,CC(=O)NC(=O)C1OCC(O)CC1CCC[NH3+],0,GDB ChEMBL
298199,O=c1cc(F)c(CCCO)no1,0,GDB ChEMBL
372515,Cc1cn2c(Cl)cnc(N)c2n1,1,GDB ChEMBL
303324,CCC1N=C(C(C)O)N(C(C)=O)C1=O,0,GDB ChEMBL
318501,CCCC[NH+]1CCC2(C1C)C(C)C2(C)CC,0,GDB ChEMBL
323951,COc1c(C)ncnc1Cl,1,GDB ChEMBL
277550,ON=C(c1ccc(I)cc1)C1CCC1,1,GDB ChEMBL
106025,CC1CC=CCCC2(C)C[NH+]1C2,0,GDB ChEMBL
336590,CCOCC12CCCC(CC)(C(C)C1)C2CC,0,GDB ChEMBL
326478,NS(=O)(=O)CNC(=O)C([NH3+])CCO,0,GDB ChEMBL
366582,C#CC1C(=O)NC2CC(O)CC21O,0,GDB ChEMBL
72030,[NH2+]=C1NCC2CCC(=O)OC3COC1(CO)C23,0,GDB ChEMBL
220146,CCCCCC(C)C1CCC(CC(C)(C)O)C1,0,GDB ChEMBL
15521,COC1CC(=CC(=O)CC(C)C)C1,1,GDB ChEMBL
352171,C[NH2+]CC12CC(CCCCO1)C2,0,GDB ChEMBL
211105,COC(C)C1N(C)C(=[NH2+])C1(C[NH3+])CS(N)(=O)=O,0,GDB ChEMBL
149427,CNC(=O)C(N)(C(=[NH2+])NC1CC1)C(=O)[O-],0,GDB ChEMBL
141885,CC1=CC(OC(CNC=O)CC(=O)[O-])OC1,1,GDB ChEMBL
46860,CC(C)C(O)c1nccc(Cl)n1,1,GDB ChEMBL
38593,CC(CO)N1C2CCC(=O)C21,0,GDB ChEMBL
34803,N#CCC1CCCC1([NH3+])C(=O)[O-],1,GDB ChEMBL
127532,CCc1cnc(C=O)c([O-])c1Br,0,GDB ChEMBL
203641,CC1c2cccc(Cl)c2C(C(F)(F)F)C1C,0,GDB ChEMBL
345716,N#Cc1cnc(=O)c(C2COC(=O)C2)cn1,0,GDB ChEMBL
17279,O=CNCC1CC(O)CC1O,1,GDB ChEMBL
317301,CC[NH2+]CC(C)(C)c1csc(CC(C)(C)C)c1,0,GDB ChEMBL
351301,CC1C2CCN1C(C#N)(CO)C2(C[NH3+])C(=O)[O-],0,GDB ChEMBL
302455,C#CC1CC(C)C(CCCCCC(C)CC)C1,0,GDB ChEMBL
205784,C#CC1([NH3+])C(C)C(C(=O)[O-])C1C(N)=O,0,GDB ChEMBL
151215,C[NH2+]CC1C2C(C(C)O)NC(=O)N12,0,GDB ChEMBL
22015,CCNC(=O)C(O)(CO)C(N)=[NH2+],0,GDB ChEMBL
173940,CCC1=CC(=O)N2CC(CC)OCC2C1O,0,GDB ChEMBL
358624,CC(CO)C1C(C[NH3+])NC(=N)N1C=O,0,GDB ChEMBL
3946,O=C1C=C2CC(CCOC(=O)C2=O)N1,0,GDB ChEMBL
175568,O=CC(O)CC(=O)C(=O)N1CC=CC1,1,GDB ChEMBL
325887,CNC(C(N)=O)C(=O)C1CN1C(C)=O,0,GDB ChEMBL
366880,N#CC(C=O)(C(N)=O)c1ccc2c(c1)OCO2,0,GDB ChEMBL
3033,CCCCCC(=O)CC1(C)CCC(C(C)C)C1,1,GDB ChEMBL
109504,COCc1sc(C(N)=O)nc1C#N,1,GDB ChEMBL
338580,CC1=CC[NH2+]CC2CC2CCCC1,0,GDB ChEMBL
97776,CN1C(=O)C2OCC1CCNS2(=O)=O,0,GDB ChEMBL
274238,COC(CC[NH3+])C1C2CC(C)C([NH3+])C21,0,GDB ChEMBL
281957,C[NH2+]CCC(=N)Nc1cncc(Br)n1,0,GDB ChEMBL
121509,CCC1C[NH2+]C(C)C2(CO)C(N)COC2O1,0,GDB ChEMBL
310334,NC1(C2C[NH2+]CCC(=O)N2)C[NH2+]C1,0,GDB ChEMBL
123034,NC1=[NH+]CC(CO)(CC[NH3+])OC(=O)CN1,0,GDB ChEMBL
17080,[NH3+]C1CCC2Oc3ccnc(Cl)c3NC12,0,GDB ChEMBL
81620,CCOC1C(O)C2(O)CC[NH+](C)C12,0,GDB ChEMBL
258225,COCCC1(C)OC(C)C2CC1[NH2+]C2C(C)O,0,GDB ChEMBL
304078,c1cc2c(o1)CC1CC1C[NH2+]C2,0,GDB ChEMBL
349515,NC(=O)c1c(N)ncscc[nH]c1=O,0,GDB ChEMBL
120724,CCCC1OCCCC=CC=C(C)C1(C)O,0,GDB ChEMBL
133336,CCCCCCC(C)(C)OCc1cccnc1,1,GDB ChEMBL
163387,CC1=CCC2CC1c1cc(CO)ccc1O2,0,GDB ChEMBL
136100,CC(O)C(O)C(C)CO,1,GDB ChEMBL
115199,C#CCNc1cccc(C(O)C(F)(F)F)c1I,1,GDB ChEMBL
39796,O=C([O-])C1CC(CO)=CC(=O)N1CS(=O)(=O)[O-],0,GDB ChEMBL
38586,CC1CC(=O)C(C)[NH+](C)C1C(C)(O)C(C)(C)C,0,GDB ChEMBL
98527,C#Cc1cc(I)cc(C(C)C(C)CC(C)C)c1,1,GDB ChEMBL
375745,CC1CC2CC2(Cc2ccco2)O1,0,GDB ChEMBL
305147,CCC#CCN1CCC(CC)C1C=O,1,GDB ChEMBL
346863,CC(=O)N1CC2CC3(C)CCC(C)(C3)C21,0,GDB ChEMBL
222171,C[NH2+]CC1NC(C(C)[NH3+])CC1O,0,GDB ChEMBL
305977,COC(C)C(C)(C(N)=O)N1CC1,1,GDB ChEMBL
169497,CCC(CC)(CCCCC(C)C)C(F)(F)F,1,GDB ChEMBL
80244,COC(C(=O)[O-])C1=CCOC(=O)N1,0,GDB ChEMBL
69580,CC1C2OCC(C2O)N1C,0,GDB ChEMBL
243769,CC1NCC(=O)C(COC2CC2)=CNC1=O,0,GDB ChEMBL
150521,CC1CC(C(C)C[NH3+])C2(CCC(C)(C)CC2)C1,0,GDB ChEMBL
121984,NC(=O)c1nc2[nH]c(=O)c([O-])cc2c(O)c1Br,0,GDB ChEMBL
292509,CNC(=O)C(NCCO)C(N)=[NH2+],0,GDB ChEMBL
122717,COCC1OC(OC(N)=O)C(CO)C1O,0,GDB ChEMBL
319360,CC1=CCC2CC(C)[NH2+]CC([NH3+])C12,0,GDB ChEMBL
28183,[NH3+]C1CC2=C(C1)C(CO)C(=O)N2,0,GDB ChEMBL
278144,CC1CCCCC2CC1([NH3+])C(C)[NH2+]2,0,GDB ChEMBL
155794,CC(CO)CC1C(C)CCC1O,1,GDB ChEMBL
266238,CC1CN2CC2(C)CCCC[NH2+]1,0,GDB ChEMBL
41619,CC(OC(=O)c1cnon1)C(C)C([NH3+])CCO,0,GDB ChEMBL
156754,CCCC(C)(CN1CCC(C)(CO)CC1)[NH2+]C,1,GDB ChEMBL
25235,CCC1N(C(N)=O)C1(C(=O)[O-])C(C)C[NH3+],0,GDB ChEMBL
94627,C#CCCC(C)(C)C1CCC[NH+]2CC12,0,GDB ChEMBL
74329,CC1[NH2+]CC2C=CC1CC2O,0,GDB ChEMBL
121732,CCc1scc(CO)nc(C(=O)[O-])ncc1N,0,GDB ChEMBL
174677,N=c1nc(C(N)=O)cncnc(N)ccc1N,0,GDB ChEMBL
337413,CC1[NH2+]C2COC(C2)CC(C=O)C1O,0,GDB ChEMBL
112880,C#CC1Cc2cc(Cl)cc(CC(C)(C)C)c2C1,1,GDB ChEMBL
256013,C[NH2+]CCC1=CCc2c(I)ccc(C)c2C1,0,GDB ChEMBL
281209,C=C(NC(=O)OCC)C(O)C(C)O,0,GDB ChEMBL
99802,NC(=[NH2+])NCC1C[NH+]=C(N)NC(=O)N1,0,GDB ChEMBL
24480,CCCC1C2CCCC(CC)C(C2)C1CCC,0,GDB ChEMBL
321805,CCCC1[NH2+]CC(C)C2CCCC2C12CC2,0,GDB ChEMBL
304088,Cc1nc(O)nc(O)c1Cl,1,GDB ChEMBL
174231,CC([NH3+])C(O)CCOC=O,1,GDB ChEMBL
173921,C#CCC(C)(c1ccc(C)cc1)C(C)(C)CC,0,GDB ChEMBL
133163,CC([NH3+])CC(C#N)C1(C)CC(O)C=CC1C,0,GDB ChEMBL
298021,CC12CC[NH2+]C(C(O)CO)C(C1)C(C)(C)O2,0,GDB ChEMBL
248850,Cc1cccc(Br)c1C(C)CC1CC1C,1,GDB ChEMBL
368187,C[NH+]1CC2CC2C(O)C=CCC2CC21,0,GDB ChEMBL
140768,NC(=O)c1c(N)cccc1N,1,GDB ChEMBL
257445,NC1=[NH+]C2C(=O)NC(CC=O)C(=O)OC2CN1,0,GDB ChEMBL
324317,CCCc1ccc(C(C)(C)CC[NH3+])c(O)c1,0,GDB ChEMBL
111874,CC1NC(=[NH2+])OC1C(O)CS(N)(=O)=O,0,GDB ChEMBL
137128,CCC1C(C)CCC2CCCCC2(C)C1CC,0,GDB ChEMBL
64113,CC1CC2(C(N)=O)CNC(=O)C2CC1(C)[NH3+],0,GDB ChEMBL
121531,CS(=O)(=O)CC1=CNC(=O)C1(O)CC#N,0,GDB ChEMBL
148221,CCC(CN(C)C(=O)C1=CNCC1)C1CO1,0,GDB ChEMBL
246762,COC(=O)Nc1cnc(O)c(C(=O)[O-])n1,0,GDB ChEMBL
108131,CC1CNC2C(=O)OC(OCC#N)C2NC1=O,0,GDB ChEMBL
11680,CCc1sc(CO)c2c1C(CC[NH2+]C)CO2,0,GDB ChEMBL
306416,COCC1=CC(O)(C[NH3+])CC(C)C(C)[NH2+]C1,0,GDB ChEMBL
112779,NC(=O)C1NC(=[NH2+])NC(C(=O)[O-])C1O,0,GDB ChEMBL
354828,CC1=CCC2C([NH3+])C(OC1=O)C1CCCC21,0,GDB ChEMBL
305994,CNC(N)=[NH+]C1CCOC1=O,0,GDB ChEMBL
348601,CC1CC(C)([NH3+])C(C)(C)C1O,0,GDB ChEMBL
22540,CC1(CC(O)C[NH3+])NC(N)=[NH+]C1C(O)C(=O)[O-],0,GDB ChEMBL
333671,O=CCC1CCC(O)C[NH2+]CCC2C[NH2+]C1C2,0,GDB ChEMBL
128288,CC([NH2+]C1COC1)c1c[nH]nc1C(=O)[O-],0,GDB ChEMBL
270099,COC1Cc2onc(C)c2C1C[NH3+],0,GDB ChEMBL
239326,C#CC(C[NH3+])C(CO)NC(CO)C(C)C#N,0,GDB ChEMBL
363174,N#CC1(N)C(CC[NH3+])C1C(N)=O,0,GDB ChEMBL
80247,CC1CC(CC#CC(N)=[NH2+])=CCOC(=O)N1,0,GDB ChEMBL
51890,CC(=O)C1(O)COC(CNS(C)(=O)=O)C1O,1,GDB ChEMBL
194530,O=C1NCC=CC2C3CCC(C3)C2N1,0,GDB ChEMBL
140870,[NH3+]CC(O)C1([NH3+])CC([NH3+])C(O)C1C(=O)[O-],0,GDB ChEMBL
311048,CC(C(=O)[O-])N1CC1(CCO)C(O)CO,0,GDB ChEMBL
100683,CCC1COCC(C)C1(C)CC,0,GDB ChEMBL
29429,CCCC1CC2(CC)CC2C1CC(C)C,0,GDB ChEMBL
362007,CCC1C(C)C2C(CC3C(=O)CC[NH+]32)C1CC,0,GDB ChEMBL
181415,C=CCC(=O)OC(C(C)C)C(C)C,1,GDB ChEMBL
311359,CC(=N[O-])C1OC(=O)NC(CO)CNC1=[NH2+],0,GDB ChEMBL
324291,CC[NH+]1CC2OC2(CC)C1,0,GDB ChEMBL
157400,CC#Cc1c(Br)ncc2c(Br)cccc12,1,GDB ChEMBL
276286,CCC1(C)C(OC)CC[NH+](C(C)C)C1C,0,GDB ChEMBL
5213,N=C1OCC1CC([NH3+])CCC[NH3+],0,GDB ChEMBL
255997,CC1CCCC2OCCC2C1,0,GDB ChEMBL
23495,C[NH+](C)CCCOC1C[NH2+]C2C(CO)C12C,0,GDB ChEMBL
29737,CCC(C[NH3+])CC#CC#CCC(C)C,0,GDB ChEMBL
195398,NC(=O)C1C(O)CC2NC(=[NH2+])OC1OCC2N,0,GDB ChEMBL
310261,CC[NH2+]Cc1ccc[nH]c1=[NH2+],0,GDB ChEMBL
105081,C#CC(C)Cn1cc([NH+]=C(N)NC)cc1C,0,GDB ChEMBL
163893,COC1C2CC(C)C=CC(C[NH2+]2)C1(C)C,0,GDB ChEMBL
320738,Cc1c(F)cnc2c([O-])c(C(N)=O)sc12,0,GDB ChEMBL
203328,O=C1OC2CCOC13C[NH2+]C2C3O,0,GDB ChEMBL
338629,COc1c(CCO)sc(=O)n(C(N)=O)c1=O,0,GDB ChEMBL
203434,C[NH2+]CCCC#CC(CO)C(N)=O,0,GDB ChEMBL
299967,CC1(O)CC([NH+]=C(N)N)C(O)C1O,0,GDB ChEMBL
126914,CCCC1CC2(CC2)CC(C)=CC(C)[NH2+]1,0,GDB ChEMBL
118879,CCC=CN(CC(N)=O)C(=O)C[NH3+],1,GDB ChEMBL
128267,C[NH2+]C(C)Cc1noc(C(=O)[O-])n1,0,GDB ChEMBL
4949,CC1CC(C)[NH+]2CC1C2C(C)(O)CCO,0,GDB ChEMBL
386525,CC1CCCC1OC(=O)C(CC#N)=N[O-],0,GDB ChEMBL
167293,CCCOCc1cccn(C)c1=O,1,GDB ChEMBL
303896,CC(=O)N1C=C2C(C1)C(CO)CC2(C)C,0,GDB ChEMBL
23967,C[NH2+]C1CC(CC(C)O)C2CC=CC12C,0,GDB ChEMBL
80232,COCc1c(O)ccc2nc[nH]c12,1,GDB ChEMBL
391320,C[NH2+]C1C=CC(C)(N)C1(C(N)=O)C(O)CO,0,GDB ChEMBL
279232,NC(=O)C(CCO)C(N)c1cnoc1N,0,GDB ChEMBL
124192,CCC12CCC(C(O)C[NH2+]C)C1N2C,0,GDB ChEMBL
92301,NC1C([NH3+])C1OCC([NH3+])C(=O)[O-],0,GDB ChEMBL
379190,Cc1cnc(CN2CC2)c(C2CCCC2)c1,1,GDB ChEMBL
174216,COC1(C(=N[O-])C(=O)[O-])OCC[NH+](C)CC1O,0,GDB ChEMBL
27818,C#Cc1csc(CC([NH3+])CNCCC#N)c1[O-],0,GDB ChEMBL
105982,CC(=O)c1ccncc1N1CC1,1,GDB ChEMBL
376680,CC12CCC(C#N)(NC(N)=O)CC1C2O,0,GDB ChEMBL
143173,CC1=CCCC=Cc2cnc(c(F)c2)C1,1,GDB ChEMBL
83093,COCC(C)NC1CC[NH2+]CCN=C(N)C1=O,0,GDB ChEMBL
61510,C#CCC(CC)C(C(C)CC)C1(C)CCCC1,0,GDB ChEMBL
228449,O=C1NCCNC(=NCCO)N1,1,GDB ChEMBL
40326,CC(C)COC(=O)C1(O)CC(C)(O)C1,1,GDB ChEMBL
40309,CC(C[NH3+])C1[NH2+]CC(O)C1[NH+]=C(N)N,0,GDB ChEMBL
176484,CC(=O)NC1(C#N)CN2CC21,0,GDB ChEMBL
59667,CCC1(C)CC2CC(c3cncc(Cl)c3)C1C2,1,GDB ChEMBL
182118,COCC1NC(=[NH2+])C(O)C1C(N)=O,0,GDB ChEMBL
185315,N#CC(C1CCCC1)C1COC1,1,GDB ChEMBL
71467,O=C1CCCN(c2occc2CCCO)C1=O,1,GDB ChEMBL
138404,CC(O)C1CC[NH+]=CN1,0,GDB ChEMBL
126409,C[NH2+]C(C)CC1(O)CC([NH+](C)C)CCC1C#N,0,GDB ChEMBL
40875,C=C1CC2CC(=O)OC2CNC1=O,0,GDB ChEMBL
324016,CC1OC(=O)OC2CNC(=O)C([NH3+])C(O)C2O1,0,GDB ChEMBL
252117,CC1C[NH2+]CCC(CO)C(C)C1C(F)(F)F,0,GDB ChEMBL
24478,CC[NH2+]CC(C)OCC(=O)CO,0,GDB ChEMBL
333893,C=CNC(=O)NC(=N)NCC(=O)[O-],1,GDB ChEMBL
190391,C[NH2+]CC1C(O)CC(O)C1OS(N)(=O)=O,0,GDB ChEMBL
254972,CCC1C[NH+]2CC(C)(C)C2C1O,0,GDB ChEMBL
368163,C#CC1CC(CC)C(C#CC)[NH2+]1,0,GDB ChEMBL
294809,CCC(C)C1C=C(C)CCC(C(=O)[O-])C1,1,GDB ChEMBL
36010,CCC1(OC)C(=O)CCCN(C)C1C(C)=O,0,GDB ChEMBL
383041,CCN(CCc1ccc(Cl)cc1N)C(C)C#N,1,GDB ChEMBL
147562,CC1(O)CC=CC(=O)NC1C1CN1,0,GDB ChEMBL
126983,C#CC#CC(C[NH2+]C)C(C)CC,0,GDB ChEMBL
362591,CCC1C=CC(C(=O)OC(C)CO)O1,0,GDB ChEMBL
279271,CNC(=O)OCC1CCc2nonc2CO1,1,GDB ChEMBL
385426,CC1CC[NH+]2C(C)CCCC2C(C(C)CO)O1,0,GDB ChEMBL
292716,NC(=[NH2+])C(N)C(O)C(C[NH3+])C(N)=O,0,GDB ChEMBL
254943,COC(C[NH3+])C1NC2(CCO)C[NH2+]C1C2C,0,GDB ChEMBL
40242,C[NH+](C)CCC1NS(=O)(=O)CC1NCC=O,0,GDB ChEMBL
84498,CCC1C[NH+](CC(C)(C)[NH3+])C1C(C)C,0,GDB ChEMBL
156493,CCCC1=CCCC[NH+]2CCC(C)=C1CC2,0,GDB ChEMBL
112560,CCc1cccc2c1CC13CCCC1(C2)C3,0,GDB ChEMBL
163396,NC(=O)NC(CCO)COCCC(O)C=O,0,GDB ChEMBL
367651,CC1CCCC2CC23C(C)[NH2+]CCC13,0,GDB ChEMBL
171282,NC(=O)C1C2[NH2+]CC(O)COC21,0,GDB ChEMBL
368169,CCC(=O)C(CO)[NH+]1CCCC1,0,GDB ChEMBL
17604,CC(C)CCC1CC(C2CC2)CC1O,1,GDB ChEMBL
353254,OCC1(C2=CCCC2)C[NH2+]C1,1,GDB ChEMBL
300669,CC1(C)CNC(=O)C(O)C(OS(N)(=O)=O)C1,1,GDB ChEMBL
119390,CC1=CC(Cc2nn(C)cc2C)OCC1,1,GDB ChEMBL
354078,CCC(=O)NCC1[NH2+]C(C)C1C(C)[NH3+],0,GDB ChEMBL
240382,Cc1ccncc(C(C)C)oc(C#N)c1,0,GDB ChEMBL
257398,CCC(O)C(C)Cc1cc(F)c(NC)c(C)n1,1,GDB ChEMBL
210942,Cn1c(=O)c(Cl)c(C#N)n2nnc(C(=O)[O-])c12,0,GDB ChEMBL
388261,CCN(CCC(=O)C=O)C(=O)C1CO1,1,GDB ChEMBL
345713,C[NH2+]C1CC1(C=O)C(CC(=O)[O-])[NH+](C)C,0,GDB ChEMBL
246995,C[NH2+]C1CC2OCOC(=O)C2C1(C)OC,0,GDB ChEMBL
395923,CCC1CC(C)C2(C)CCC(C)C1C2(C)C,0,GDB ChEMBL
242937,C#Cc1cc(CO)cc(CO)c1F,1,GDB ChEMBL
366037,CC1C=C(C[NH+]2CCC3CC32)C2CCOC12,0,GDB ChEMBL
191566,CCC1C(O)CC2CC(C)CC1C(C)[NH2+]2,0,GDB ChEMBL
271574,CCC1=CC(COC(C)=O)NC1C(F)(F)F,0,GDB ChEMBL
283966,CCC1(CO)C(C#N)NC=NC1C(C)C(N)=O,0,GDB ChEMBL
375168,C#CC1C(CC)C=CC(C)C1CC(C)C,0,GDB ChEMBL
37287,C#CC(=O)COCCOCC,1,GDB ChEMBL
141899,Cc1cn2cc3ccc(N)nc3c2nc1Cl,0,GDB ChEMBL
39748,CNC(=[NH2+])C(NC)C(C)O,0,GDB ChEMBL
177031,N#CC(=O)[N-]C(=N)NC(C#N)CO,0,GDB ChEMBL
182884,C#CC12CCCC1C1(O)CCC(CC1)[NH2+]CC2,0,GDB ChEMBL
181710,CC1(C)C[NH2+]CC1C(=O)[O-],1,GDB ChEMBL
395605,C[NH+]1CC(C)(C)C1C1CCC1,0,GDB ChEMBL
205756,C#CC[NH+](C)C(CCO)C(C)(C#C)CC=O,0,GDB ChEMBL
268181,O=C(CO)Nc1ccn2cc(Cl)ncc12,0,GDB ChEMBL
109564,CC(C)CC(C1(C)CCCC1)C(C)(C)C(C)C,0,GDB ChEMBL
391735,N=C1C(CO)C([NH3+])CN1C(N)=O,0,GDB ChEMBL
316486,O=C([O-])CC1OS(=O)(=O)NC1CO,1,GDB ChEMBL
203820,[NH3+]CCCS(=O)(=O)[N-]C(=O)c1cn[nH]n1,0,GDB ChEMBL
44321,[NH3+]C12CCOC1(CO)C2C(=O)[O-],0,GDB ChEMBL
372671,CC1(O)CCC(N)=[NH+]C1C1CC1,0,GDB ChEMBL
323207,COC(=O)C(CNC(N)=O)C1(N)C([NH3+])C1O,0,GDB ChEMBL
288519,CCc1c(C)c(Cl)cc2c1C=CC(C)C2,1,GDB ChEMBL
124751,N#CC1CC=CC=CCCCC1,1,GDB ChEMBL
184286,N#CC1CN(CCC[NH3+])C2C(C#N)COC12,0,GDB ChEMBL
173929,CC1CC2CC=C(CC(F)(F)F)C1[NH+]2C,0,GDB ChEMBL
387270,[NH3+]CC1(C2OC(=O)NC(=O)C2O)CC1[NH3+],0,GDB ChEMBL
70952,CC1CC2(C)CC[NH+](C)C2C(C)C1C(C)(C)C,0,GDB ChEMBL
196499,C=CC1CC2C(CC(C)C2CC)[NH2+]1,0,GDB ChEMBL
22514,N#CC1(C(N)=[NH2+])CCOC1=O,0,GDB ChEMBL
360853,N#CC1CC2NS(=O)(=O)CC2(C(N)=O)C1,0,GDB ChEMBL
242675,C#CC1Cc2c(ccc(O)c2C)C2CCC1C2,0,GDB ChEMBL
157406,N#Cc1scc2c1OCCC[NH+]1CCCC2C1,0,GDB ChEMBL
30324,C=CC1(C(=O)CCS(=O)(=O)[O-])C[NH2+]C1,0,GDB ChEMBL
153345,CCCCC1CCC2CC(C)=CC(C2)C1[NH3+],0,GDB ChEMBL
308124,CCC1(O)CC(C(C)CC(=O)OCC[NH3+])C1,0,GDB ChEMBL
128332,C#CCCC1OCC2CCCC21,1,GDB ChEMBL
179491,CCC#CC=CC(CCC)C(C)C,1,GDB ChEMBL
252350,CC(CO)NC(=O)c1nnsc1[O-],0,GDB ChEMBL
44613,C=CCC(=O)C([NH2+]CCC)C1CC1,0,GDB ChEMBL
386522,NC(=O)N1C=Cc2c(Br)cccc2CC1,1,GDB ChEMBL
252552,C=C1CC(=O)OC1C1CNC(N)=[NH+]1,0,GDB ChEMBL
26411,CC(C1CC=CCC=CC1)C(F)(F)F,0,GDB ChEMBL
278846,CCN(CC#N)CC1=C(C)C[NH2+]CC1,0,GDB ChEMBL
112857,CNC(=[NH2+])OCC(C1CO1)C(N)C(=O)OC,0,GDB ChEMBL
24529,C#CC(CC)C1CC1C(C)(C)CCCC,0,GDB ChEMBL
7427,[NH3+]C1CCC(=O)NCCC2OC1C1[NH2+]CC21,0,GDB ChEMBL
144512,CC(C)(O)c1ccc(F)cn1,1,GDB ChEMBL
45958,COC(=O)NCC(N)(C#N)CC#N,1,GDB ChEMBL
304477,[NH3+]C1CC2C(C(=O)[O-])NS(=O)(=O)C12CO,0,GDB ChEMBL
112396,C=C(CC(=O)NCC[NH3+])NC(N)=O,0,GDB ChEMBL
148397,CN1CC(C2NC2C[NH+](C)C)C(O)C1=O,0,GDB ChEMBL
317736,CCOC(=N)C(CC[NH3+])C[NH2+]C,0,GDB ChEMBL
337054,C[NH2+]C1C(O)CC2CN(C)C21,0,GDB ChEMBL
67356,C#CCC1C(C)C=CCCCC1C,0,GDB ChEMBL
29968,CC(C)[NH2+]CCCN=C1CCO1,0,GDB ChEMBL
259425,CC1[NH2+]C(C=O)CC2([NH+]=C(N)N)C(O)C12,0,GDB ChEMBL
41626,CCCCC1CCC2[NH+]1CC1CC2(C)CC1C,0,GDB ChEMBL
354355,NC(=[NH2+])NC1CC1c1nc[nH]n1,0,GDB ChEMBL
245519,C#CC1CC(C)CCCC(C)(C)C1C(C)OC,0,GDB ChEMBL
173733,C[NH2+]CC12CCCC1OCCN2,0,GDB ChEMBL
345689,CCCC1[NH+](CCC[NH3+])CCCC1(CO)CO,0,GDB ChEMBL
284837,CC1([NH3+])CC=C2COCC(=O)NCC21,0,GDB ChEMBL
317144,Cc1cc(CC2CCC2)c(Cl)nc1C,1,GDB ChEMBL
161017,COC1C(C[NH3+])=CC(C[NH2+]C2CC2)CC1C,0,GDB ChEMBL
126392,CCC(O)C1C[NH2+]CC1C[NH3+],0,GDB ChEMBL
148725,CC(=O)OCCNc1[nH]cnc1O,1,GDB ChEMBL
147410,CC#CC1OCC(CC)C1(C)C,0,GDB ChEMBL
194502,O=CNC=NC1CCOC1,0,GDB ChEMBL
142360,NC(=O)CC1CCC(O)CC(=O)S(=O)(=O)CC1,0,GDB ChEMBL
38927,CCC1CC(C)(C)c2ccc(F)cc21,1,GDB ChEMBL
278200,CCC1C2CCCC(C)(C)C1C=C(C)C2,0,GDB ChEMBL
217715,NC(=O)C(CNc1nccnn1)NC=[NH2+],0,GDB ChEMBL
47255,CCC1(CCOC)OC(=O)C2(C)C(C)C12,0,GDB ChEMBL
234465,[NH3+]CCCOC1C2CC[NH2+]C21,0,GDB ChEMBL
143771,COC1OC(=O)C(C([NH3+])C(=O)[O-])OC1CC#N,0,GDB ChEMBL
76687,COC1C(C)C(C)OC(=O)C2OC21,1,GDB ChEMBL
358814,CC#Cc1cc(I)c(I)cc1N1CCCC1,1,GDB ChEMBL
358829,CC1(C)CCC(C2CC2)C=CC(=O)O1,1,GDB ChEMBL
247207,C[NH2+]C(C(C)O)C1CC(=N)NC(=O)C1N,0,GDB ChEMBL
40340,CCCC(=O)C1=CC(C(CC)OC)C(C)C1,0,GDB ChEMBL
125614,CC12C=CCC13Cc1cc(Cl)cnc1CC23,0,GDB ChEMBL
313763,CCCC(C)C#CCc1cc(O)nc(O)c1,0,GDB ChEMBL
279121,N#CC1(N)C(=O)[N-]C(=O)OC(CO)C1N,0,GDB ChEMBL
162900,CC(=O)C12CC[NH2+]C1CC(C)C2C(=O)C(N)=O,0,GDB ChEMBL
349627,Cc1cc(C2(CCO)CC2C)cs1,0,GDB ChEMBL
248233,CC1(C(N)=[NH2+])C(CC#N)[NH2+]CC1(O)CC[NH3+],0,GDB ChEMBL
81088,C[NH2+]CC(C)OC(=O)NC(CC#N)C(=O)[O-],0,GDB ChEMBL
157418,NC(=[NH2+])C(C(=O)[O-])n1cncn1,1,GDB ChEMBL
127874,CN=C(C#N)N1CCCC(CC(C)[NH3+])C1,0,GDB ChEMBL
318535,C#CC1OC(C)CC12C1C[NH+](C)CC12,0,GDB ChEMBL
3833,CC(O)C1CC=CC(O)C1[NH3+],0,GDB ChEMBL
368494,COC(CCNC=[NH2+])C(=O)[O-],0,GDB ChEMBL
208230,COC(C)C(C(C)=CCO)C(C)O,0,GDB ChEMBL
155802,CC1(CC(C#N)CC[NH3+])C(=O)NC1CO,0,GDB ChEMBL
357675,N#CCN=C(N)N1C(=O)CCNCC(=O)C1=O,1,GDB ChEMBL
159744,CCCOC1(C)CCC([NH3+])C1,0,GDB ChEMBL
45009,NC(=O)OCCc1cncs1,1,GDB ChEMBL
115723,COC1C2C[NH2+]C2CC1(C)C,0,GDB ChEMBL
348846,C[NH+]1CCCCC2C([NH3+])CC2C1,0,GDB ChEMBL
200746,C#CC(C)(C)NCc1ccc(CO)o1,1,GDB ChEMBL
228399,C=C1CC2CC2CCCCCC1C,1,GDB ChEMBL
291514,Fc1ccc(C2CC[NH2+]2)cc1F,1,GDB ChEMBL
325756,NC(=O)NCC([NH3+])CC1CC(OCCO)C1,0,GDB ChEMBL
109508,O=C1CCC=CCC(C2C=CC[NH2+]2)C1,0,GDB ChEMBL
93748,C[NH2+]CC#CCCc1cncnn1,0,GDB ChEMBL
207405,CC1(N)C(=O)OCC1C(O)C([NH3+])C(N)=O,0,GDB ChEMBL
132689,CCC(CO)(OC(N)=[NH+]C)C(=O)[O-],0,GDB ChEMBL
156181,OCCCC1[NH2+]CC=CCNC2=[NH+]CC1C2,0,GDB ChEMBL
163899,CNC(=O)NC1C(=O)OC(C)(C)C(C)OC1C,1,GDB ChEMBL
218545,CNS(=O)(=O)OC(C[NH3+])C(=O)OC,0,GDB ChEMBL
258722,NC(=O)C1OC(=[NH2+])NC(C[NH3+])C1C(N)=O,0,GDB ChEMBL
248252,NC1C(=O)[N-]S(=O)(=O)C2C(O)C12C[NH3+],0,GDB ChEMBL
267935,CCNc1cc(OC)c(O)c(F)n1,1,GDB ChEMBL
43528,CC1C=CCC(C)(C)[NH2+]CC1[NH3+],0,GDB ChEMBL
203538,CC1CC2(C)C(O)C(=O)NC2C1O,0,GDB ChEMBL
320294,CC(=O)[N-]S(=O)(=O)CC1OC1C(O)C[NH3+],0,GDB ChEMBL
272561,CC1C=CCC(C)C1C(C)C[NH3+],0,GDB ChEMBL
110202,CCOC1C([NH3+])C2(CC)CC1(O)C[NH+](C)C2C,0,GDB ChEMBL
375695,CCC1(CO)CN=C(N)N(C=N)C1=O,0,GDB ChEMBL
17305,COC(C#N)C(O)C1OCC2NC(=O)OC21,0,GDB ChEMBL
141822,CC(Cc1ccc(F)c(F)c1)C(C)C(F)(F)F,1,GDB ChEMBL
108722,CN1CC(=N)N(C(=N)N)C1=O,1,GDB ChEMBL
347856,CC[NH2+]CCC1(O)CC1CO,0,GDB ChEMBL
279287,CC1=[NH+]C(COC=O)CCN1C,1,GDB ChEMBL
107040,C#CC(C)NC(C#N)C1(CC)C[NH2+]CC1OC,0,GDB ChEMBL
280802,CC(C#N)C1(C)OCC([NH3+])CNC1C(O)C[NH3+],0,GDB ChEMBL
105093,CCN=C1C(O)C(=O)NC(=N)N1C,0,GDB ChEMBL
211126,C#CC(CO)N(C)C(=O)CC,1,GDB ChEMBL
104732,CCCCC1CC(C)C2C=CCCC1C2C,0,GDB ChEMBL
334162,CN1C(C(N)=O)CC1C(O)C#N,1,GDB ChEMBL
161927,CN(CCO)C(=O)N1CC1C1CC1O,0,GDB ChEMBL
358160,C#CC1CC=CCCC2(CCCC2)C1,0,GDB ChEMBL
118361,N#CC1(CO)NCCC12C=CC(=O)N2,0,GDB ChEMBL
29648,C#CC1CC(CCC)C(C)(CC(C)[NH3+])[NH2+]1,0,GDB ChEMBL
380599,C#CC[NH+]1CCC=CCC1CCC,0,GDB ChEMBL
349454,CC=CCCS(=O)(=O)C1COC(=O)C1,0,GDB ChEMBL
43967,C#CCC1(CC)CC(C2CC2C)[NH+](C)C1,0,GDB ChEMBL
136568,CCC1C2NC(=O)C(O)C1(C[NH3+])C2[NH2+]C,0,GDB ChEMBL
140881,CCC(O)CC1(O)C2CC1C(CO)[NH2+]2,0,GDB ChEMBL
119857,C#CC1NC(=O)OCC=C(C)C(=O)C1O,0,GDB ChEMBL
342607,CCC1c2cc(C)c(C)c3c2C(C([NH3+])C3)N1C,0,GDB ChEMBL
104972,CN=C(N)N1CCC(C)OC1=O,1,GDB ChEMBL
94640,CC[NH+]1C(C)CCC2(C)CC12,0,GDB ChEMBL
174294,CCN1C(C#N)C1C1OC1C(=O)[O-],0,GDB ChEMBL
36156,C#CC(C)=C(C)C(C[NH2+]C)COC,0,GDB ChEMBL
277429,CCCC(C)C(=O)c1c(C=O)cccc1CC,1,GDB ChEMBL
173676,COCC(C)C1CC=CC=CC(C)(C)C1,0,GDB ChEMBL
101020,CC1CC(CCC(=O)[O-])[NH2+]C(CO)CC1O,0,GDB ChEMBL
321771,NC(=O)c1n[nH]cc1C(N)C[NH3+],0,GDB ChEMBL
354999,CC1(C)CCC=CCCCC2=CCCCC21,0,GDB ChEMBL
163860,C[NH2+]C1CCC=C1c1cnc(N)nc1,0,GDB ChEMBL
279301,N#Cc1cc(Cl)c2ocnc2c1,1,GDB ChEMBL
127253,CC(=O)OC1C2COC(C2[NH3+])C2OC12,0,GDB ChEMBL
160339,N#Cc1c(O)cc2c(c1F)N1CC1CCC2,1,GDB ChEMBL
76430,CC(O)Cc1cncc(Br)c1,1,GDB ChEMBL
384858,CC1CCC(O)(C[NH3+])CC(C)C1,0,GDB ChEMBL
101000,CC(CC(CS(N)(=O)=O)C1OC1C)C(=O)[O-],0,GDB ChEMBL
48142,N#Cc1cc(NCCS(=O)(=O)[O-])n[n-]c1=O,0,GDB ChEMBL
81098,CC1=CC2CCC[NH2+]CCC(CO)(C1)[NH2+]2,0,GDB ChEMBL
370342,Cc1c(Br)cc(CN2CCCC(C)C2)nc1O,1,GDB ChEMBL
384856,CNC(C[NH3+])c1cn[nH]c1C,0,GDB ChEMBL
216538,CC[NH2+]C1(C)CC1C1CCCC1C(C)C,0,GDB ChEMBL
354779,CCC(=NO)C1(CC2CC2)C[NH2+]CCOC1,0,GDB ChEMBL
75446,CCC([NH3+])c1cn(CC)c2cc(Cl)ncc12,0,GDB ChEMBL
86708,Cc1cc(C2CC3C=CC4C3C24)ccc1Cl,1,GDB ChEMBL
147599,C#CC1CC2c3cc(Cl)c(OC)cc3C1C2C,0,GDB ChEMBL
87053,CC(C)([NH3+])C(C#N)C(=N)N1CCOC1=O,0,GDB ChEMBL
199032,C#CCCC1CC(C)CC1CC(C)C,1,GDB ChEMBL
133186,C#CCC(CCOC)C(OCC)C(F)(F)F,0,GDB ChEMBL
378085,CCC1(C)C2C=C(C)C1(C)CC(C#N)C2,0,GDB ChEMBL
290266,CC(C)CC1=CCCC[NH2+]C(CO)C1,0,GDB ChEMBL
126375,COCC1C[NH+]=C(CC=O)N1,0,GDB ChEMBL
128295,COC1CC2(CC2)C2CCC(C)C2(C)C1,0,GDB ChEMBL
242621,CC1CC(O)(C[NH3+])C2C(C)CCC2NC1=O,0,GDB ChEMBL
208385,CC(CCC#N)C[NH+](C)C,1,GDB ChEMBL
76485,C#Cc1cc(O)c(OC)c(O)c1C,1,GDB ChEMBL
218828,CCC1CCCC(C#N)C(C2CCC2)C1[NH3+],0,GDB ChEMBL
305850,COC1CC23CC(C)C(C2)C1C[NH2+]3,0,GDB ChEMBL
301172,CCC(C[NH+]1CCC1)C(C)C=O,0,GDB ChEMBL
300143,CC[NH+](C)C(C)c1nc([O-])ncc(=O)c1C[NH3+],0,GDB ChEMBL
317713,COC(=O)c1cc(=[NH2+])[nH]c(C2COCO2)c1Cl,0,GDB ChEMBL
201735,C#CCC(CC)C1CCC2CC(C)C1(C[NH3+])C2,0,GDB ChEMBL
392527,CCCNc1c[nH+]c2n1CCC2,0,GDB ChEMBL
70862,CC1(C(=O)[O-])C2NC(=O)C1C2[NH3+],0,GDB ChEMBL
243884,CS(=O)(=O)n1ccc(NC2COC2)c1,1,GDB ChEMBL
310333,CCCN(C=[NH2+])C(CC)CC(C)=O,0,GDB ChEMBL
181167,C#CCCC1(CO)CC(C)C1,1,GDB ChEMBL
205913,CC([NH3+])CC1C(C2CO2)C(C)CCC1(C)C,0,GDB ChEMBL
361009,CN1C(=N)NCC(C2COC2=O)S1(=O)=O,0,GDB ChEMBL
88143,CCC12CC[NH+](CCC1(C)C)CC(=O)N2,0,GDB ChEMBL
289791,C[NH2+]C1CC(=O)NC12C1C(C)OCC12O,0,GDB ChEMBL
248895,CCCCC1C2OC(C)C1(C)C1C=CCC21,0,GDB ChEMBL
195526,COc1cc(C2NCCOC2=N)on1,1,GDB ChEMBL
258310,C#CC(C)C(CCC)C1(C(C)C)CC[NH+](C)C1,0,GDB ChEMBL
77784,C[NH2+]CCCCNC(C)(C#N)CC#N,0,GDB ChEMBL
5843,N#CC1CCN=COC(=O)[N-]C(=O)N1CCO,0,GDB ChEMBL
104696,CC#CCC(CC1CC1)c1cnccc1Cl,1,GDB ChEMBL
131895,C#CC1CC([NH3+])C(N)(C([NH3+])C(=O)[O-])CN1C,0,GDB ChEMBL
398859,CC1CC23C=CC([NH2+]C2)C3C1O,0,GDB ChEMBL
370236,CC(=O)C(CO)NCC(O)CO,1,GDB ChEMBL
7384,CC1Cc2[nH]c3cccc(Br)c3c2C(=N)O1,0,GDB ChEMBL
249577,CC(C(O)CC(N)=O)C1NC(=O)C([NH3+])C1C,0,GDB ChEMBL
247500,COC(=O)C(=N)NCc1cc(Br)nc(O)c1C,1,GDB ChEMBL
76799,CC12C(CO)CC([NH3+])C1COC2CO,0,GDB ChEMBL
137067,N=C(N)NC(=O)Cc1ccc(Cl)sc1=O,0,GDB ChEMBL
179320,CC(O)CCC1C(C)CC2CC(C)C1(C)C2,0,GDB ChEMBL
64333,O=C1NC(CO)C2CS(=O)(=O)N3CC3C12,0,GDB ChEMBL
355124,C#CC1C(CC)OC(C)C1CC[NH3+],0,GDB ChEMBL
148178,C#CC(N)(C[NH3+])CCN1CCC(C)CC([NH3+])C1,0,GDB ChEMBL
111490,C#CCC(C)(C)c1c(C)c(Cl)c(Cl)c(Cl)c1C,1,GDB ChEMBL
15540,CN1CC(O)S(=O)(=O)CC1C(N)=O,0,GDB ChEMBL
181638,C[NH+](C)C1CCOCCCC1C1CO1,0,GDB ChEMBL
284400,Cn1nc(CC#N)c(Br)cc1=O,1,GDB ChEMBL
62573,CC1CC(=C2CCCCC2)CC(C)C1(C)C,0,GDB ChEMBL
334341,C#CC(C)C(CC)C(N)=O,1,GDB ChEMBL
330167,COCC1(O)CNc2cccc(Cl)c21,1,GDB ChEMBL
203126,CC=CC=C(C=O)CC#CCOC,1,GDB ChEMBL
147431,Cc1cc(C#N)c(I)c(=N)n1CC(=O)[O-],1,GDB ChEMBL
35323,CC(CO)Cn1cc(N)nc1O,1,GDB ChEMBL
361613,C#CCCC(C)CCCCCC(C)C(C)C#C,0,GDB ChEMBL
132841,CC(O)C[NH+]1C(C)C(C)CCC1C(C)[NH3+],0,GDB ChEMBL
62104,NC(N)=[NH+]c1n[nH]cc1CO,0,GDB ChEMBL
174170,CC1CCC2(CC1)CC(C)CC(C)C2,1,GDB ChEMBL
368397,COC12CC=CC(CC(O)C(C)C1)C2,0,GDB ChEMBL
341145,CC(C)NC1=[NH+]C(C#N)C2CCC(C2)N1,0,GDB ChEMBL
81568,C[NH2+]C(C)C(C(C)CC(C)C)[NH+](C)C,0,GDB ChEMBL
383039,CC1C[NH+]2CCC(C2)NCC(=[NH2+])N1,0,GDB ChEMBL
113502,CCC1(C)CC(C)CCCC(C)(O)C1,1,GDB ChEMBL
263810,CCCC#CC([NH3+])c1ccn(C)c1C,0,GDB ChEMBL
294224,O=CCCC1(CO)CCC1,1,GDB ChEMBL
354038,CC([NH3+])C1CC2(C(N)=O)CCC[NH2+]C12C,0,GDB ChEMBL
70918,CC1OCC1NS(=O)(=O)CC(=O)[O-],1,GDB ChEMBL
34192,CNC=[NH+]C(CCC#N)C(=O)[O-],0,GDB ChEMBL
259708,CNC(=O)CN(C(N)=[NH2+])C(N)=[NH2+],0,GDB ChEMBL
262309,[NH3+]CC1C2CC3CC2(C(=O)[O-])CN31,0,GDB ChEMBL
179123,O=C1NCC2OC(CO)C12,0,GDB ChEMBL
318093,CCC1CC2(C)C(C)C1[NH+]1CC(C)CC12,0,GDB ChEMBL
77310,CNC(=O)c1coc(Cn2cnnc2)c1[O-],0,GDB ChEMBL
366588,CC([NH3+])CNCCNC(N)=[NH2+],0,GDB ChEMBL
354579,Nc1nccc(C(=O)[O-])c1I,0,GDB ChEMBL
5342,C=CC(C)C(=CC=O)CC[NH2+]CC,0,GDB ChEMBL
6154,[NH3+]CCC1(O)C(=O)OC1CO,1,GDB ChEMBL
75459,CC1CCC2CC(C)(CCCCC2C)C(C)C1,0,GDB ChEMBL
47570,CC1(C)CC(=O)NC(=O)COCCC1(C)[NH3+],0,GDB ChEMBL
217681,O=C([O-])C1=CNCCOC1CO,0,GDB ChEMBL
362320,CC(C)[NH2+]C(C)C(CO)CO,0,GDB ChEMBL
109512,C[NH2+]CCC#CCC(=O)C(C)O,0,GDB ChEMBL
204336,C[NH+]=C(N)CC(N)C(C)OC(N)=O,0,GDB ChEMBL
259534,Nc1ccc(Cl)c(C2C3CC(=O)CC32)c1,1,GDB ChEMBL
15588,C#CCC(O)CC(C)Nc1ccnc(F)n1,1,GDB ChEMBL
362164,C=CC1OCC2CC(OC)C(C)C21,0,GDB ChEMBL
21866,CCCC1CCOC(CC[NH3+])C1(C)OC=O,0,GDB ChEMBL
37291,CC1OCC(O)C1(C)C#N,1,GDB ChEMBL
203262,CCC(=CC(CC)CO)CC1CC1,0,GDB ChEMBL
381500,N#CCC1(O)C(=O)NC(=O)C1N,0,GDB ChEMBL
99665,CCC(C=CCO)OC(C#N)C#N,0,GDB ChEMBL
358801,C#CC1CC1(C)[NH+](C)C1COC1,0,GDB ChEMBL
210242,CC(=O)C1COC(C)C2C(C)CCCC1C2C,0,GDB ChEMBL
87017,C[NH2+]C1CCC2CC=CC2([NH3+])C1,0,GDB ChEMBL
358081,CC(=O)CC[NH+]=CNCc1ccc(C)o1,0,GDB ChEMBL
328864,C[NH+]=CNc1ccnn1C,0,GDB ChEMBL
61916,COC1(CCO)CC=C(C)CC1,1,GDB ChEMBL
178062,CCC1C(C)C2(O)CC1C(C)(C(C)=O)C2,0,GDB ChEMBL
194294,C[NH2+]CC(c1coc(C)c1)C(C)C(C)O,0,GDB ChEMBL
353950,CC(=O)c1cc(C)sc(=O)c1F,0,GDB ChEMBL
129424,CC(C1CNC(CO)C(=O)N1)S(=O)(=O)[O-],0,GDB ChEMBL
185926,C#CC1(O)CC(C=C)C[NH2+]C(C)C1,0,GDB ChEMBL
264020,CCC(C)C1c2ccc(Cl)cc2C2CC21,1,GDB ChEMBL
182939,CC1Oc2cc(F)nc(O)c2NCCC1O,1,GDB ChEMBL
362812,CC#CCCOCC1CO1,1,GDB ChEMBL
3009,CC(C)CC1C(=O)C(C(C)(C)C)CC1(C)C,1,GDB ChEMBL
368180,CC1=CC(c2ccnc(O)c2N)[NH2+]C1,0,GDB ChEMBL
201978,CCCC1CCOC(C(C)(C)[NH3+])CC1C,0,GDB ChEMBL
200962,CC(=O)CCCC1CN(C(C)=O)C(C(=O)[O-])=N1,0,GDB ChEMBL
94642,C[NH2+]Cc1c(N)n[nH]c1OC,0,GDB ChEMBL
225335,CNC(=O)c1[n-]c(CO)nc1[NH+]=C(N)N,0,GDB ChEMBL
173690,[NH3+]C1C(CO)C(=O)NC(CO)C2OC12,0,GDB ChEMBL
211108,CC1OC(=O)C2N(C)C2(C(N)=O)C1C(N)=O,0,GDB ChEMBL
317211,Cc1cc(F)ccc1C1OCCCC1C,1,GDB ChEMBL
207972,C#CCC([NH3+])CC1(CO)CC=CCC1,0,GDB ChEMBL
336081,CC12C3CCC4C(CC3)C1C=CC42,0,GDB ChEMBL
210201,CC1CC2(C)C=CC(OC2)C1[NH3+],0,GDB ChEMBL
304149,CCC1OC(C)C(C[NH+](C)CC=O)CC1[NH2+]C,0,GDB ChEMBL
123021,CC1CCC(C)C2C(C)OCC12,0,GDB ChEMBL
251913,C#CS(=O)(=O)N(CCC)C(=O)NCC(=O)[O-],1,GDB ChEMBL
136114,COCC(=O)NCc1c(O)ccoc1=N,0,GDB ChEMBL
26861,CC1CCC([NH+]2CC3CC(C2)C3O)C1,0,GDB ChEMBL
127151,Cc1c2c(cc(N)cc1=O)NC(CC[NH3+])CC2,0,GDB ChEMBL
396712,CCCOCC1=CCOC2C(C(=O)[O-])C12C,0,GDB ChEMBL
210265,CC1CC[NH+]2C(C)C(O)(C(=O)[O-])C12,0,GDB ChEMBL
310326,COC1C2CCCOCC1(N)C[NH+](C)C2,0,GDB ChEMBL
13118,CC(=O)Cc1cc(Cl)c(Cl)c(C)c1C,1,GDB ChEMBL
271372,C[NH2+]C1CNS(=O)(=O)OC1(C)C(=O)[O-],0,GDB ChEMBL
271588,COC1C(=O)NCC2(C)C(C)N2C1CO,0,GDB ChEMBL
243324,CS(=O)(=O)NC12COC(CC(O)CC1O)C2[NH3+],0,GDB ChEMBL
246832,CC1OC2CC(CC2O)C1(C)C,1,GDB ChEMBL
189996,CCCCC(CC(C)CCC)C1CCCC1C,0,GDB ChEMBL
162927,COC(C)(C)c1cnc(C)c(C(C)(C)C)c1C,1,GDB ChEMBL
194405,CC1=CC2CC(C)C[NH+]2C1,0,GDB ChEMBL
200770,NC(=O)CNc1n[nH]c(CC[NH3+])c1N,0,GDB ChEMBL
170273,CC(C)(C)OC(=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
315138,COC(CNC(N)=O)C1(C)CC1(C)[NH3+],0,GDB ChEMBL
346830,CCC(Cn1cc(C)nn1)[NH2+]C,0,GDB ChEMBL
290327,Brc1cc2cc(c1)COCCC#CC=CC2,1,GDB ChEMBL
262533,CCC1(O)C2C(C)[NH+]3CCCC3C21,0,GDB ChEMBL
8736,CC(O)Cc1cc(CO)on1,1,GDB ChEMBL
391330,CNc1[n-]c(=NC(CO)C(N)=O)nc[nH+]1,0,GDB ChEMBL
120374,CCC(C)(CCC(F)(F)F)OC1CCCC1,0,GDB ChEMBL
281821,C=C(CCO)c1nc(C)cc(N)n1,1,GDB ChEMBL
146072,CC(=O)N(C=O)Cc1[nH]c(=O)c(CO)cc1C,1,GDB ChEMBL
208540,Cc1nc(I)c(C2(C[NH3+])CC2)cc1CO,0,GDB ChEMBL
193321,CCOC(=O)c1[n-]cc(C)c(=O)c1Cl,0,GDB ChEMBL
246944,CCCC1OCC2CC1(C[NH3+])C2,0,GDB ChEMBL
284351,CCC1CC23CC(C)CC2(CC(C)C3)C1,0,GDB ChEMBL
302320,CCC(OCC(O)(CO)C(C)C(=O)[O-])C(C)[NH3+],0,GDB ChEMBL
318136,C#CCCC(C)C1CCC(C)=CC1(C)CC,0,GDB ChEMBL
238570,COc1ncc(N)c([NH+]=C(N)N)n1,0,GDB ChEMBL
320329,C#CC12OCC(N)C1(C#N)C(O)CCC2C,0,GDB ChEMBL
228851,CC1C(=O)OC(C(N)C[NH3+])C1O,0,GDB ChEMBL
172716,N#Cc1nsc2c1C(CO)[N-]C2=O,0,GDB ChEMBL
105083,CNC(=Nc1c[nH]nc1[N-]S(C)(=O)=O)OC,0,GDB ChEMBL
150153,[NH2+]=C1CC(C([NH3+])C(O)C[NH3+])CN1,0,GDB ChEMBL
182490,CC1CC2[NH2+]C(C)C1C2(C)CC(F)(F)F,0,GDB ChEMBL
289270,CCOc1ccc(=O)cnc1C,1,GDB ChEMBL
242646,CC1([NH+]=C(N)N)CC(=O)N(CC=O)C1,0,GDB ChEMBL
59673,Cc1cc2c(F)c(F)ccc2c(C)c1F,1,GDB ChEMBL
203877,CCCC(=O)CC1CCC(CC)CC1,1,GDB ChEMBL
95896,N=C1OC2CNC(=O)COC2C1C=O,0,GDB ChEMBL
47393,CCCOCC([NH3+])C1COCC1C,0,GDB ChEMBL
109467,CCC1CC2(O)CC(C)C(CC)CC2[NH2+]1,0,GDB ChEMBL
34374,CC1C(=O)OC2C(N)C(NC(N)=[NH2+])C12O,0,GDB ChEMBL
115595,CC(C1CC(O)CC1NC(N)=O)S(=O)(=O)[O-],0,GDB ChEMBL
348589,COC1C=CC(C)C2C(C)CCCC12,0,GDB ChEMBL
386479,CC1C=C2CCC(O)C2C[NH2+]CC1,0,GDB ChEMBL
338138,CC(O)C#CC(C[NH3+])C(C)[NH2+]CC(N)=O,0,GDB ChEMBL
109604,CC(NS(=O)(=O)C(C)C)C1(CO)C(N)C1[NH3+],0,GDB ChEMBL
165649,CCN(CCCC(N)=[NH+]C)c1ccc(Cl)cn1,0,GDB ChEMBL
141731,O=C1NCc2c(CO)cc(Cl)nc2N1,1,GDB ChEMBL
312870,CC1C(O)C2(C#N)NCC(=O)C2N1C,0,GDB ChEMBL
24285,CCC1CNC(=[NH2+])C=C1CO,0,GDB ChEMBL
196508,CC#CC(CCC(N)=O)C1CC=CC1,0,GDB ChEMBL
191556,CC1CC(=O)NCC2(CC2)[NH+]1C,0,GDB ChEMBL
135416,CCCn1cccc1-c1cc(N)cc(F)c1,1,GDB ChEMBL
138340,COC1C=CCC(O)C([NH+](C)C)C1=NO,0,GDB ChEMBL
130838,COC1C2CCCC(C)(C2)C1CC(F)(F)F,0,GDB ChEMBL
84478,NC(=O)C1CCC2[NH2+]CC2C1,0,GDB ChEMBL
223515,CN(CC[NH3+])C1CCOC(=O)C1,0,GDB ChEMBL
46865,CC1CNC(=O)NCC2OC(CO)C1([NH3+])C2N,0,GDB ChEMBL
354467,CCOCC(C[NH3+])NCCO,1,GDB ChEMBL
160385,C[NH+](C1CCC1)C1(C)CCCC1,0,GDB ChEMBL
73260,CCCC(=O)N1CCC1c1nc(O)no1,1,GDB ChEMBL
329200,C#CC[NH+]1CC(C(C)O)C1,0,GDB ChEMBL
292245,COC(C#N)CCOC(C)C1[NH2+]C(C)CC1N,0,GDB ChEMBL
4960,C#CC(C)C1CCC([NH3+])CC(CCC)C1,0,GDB ChEMBL
235537,C#CCC1COC2CCCCC(CC)C(C1)C2,0,GDB ChEMBL
368480,C#CC1C[NH2+]C2CCCC2(C)CC(CC)OC1,0,GDB ChEMBL
2972,CCC1CC(C2(O)C[NH2+]C2C(C)O)C[NH2+]1,0,GDB ChEMBL
41174,CNc1ccc(OC2CC2)ccocc1N,0,GDB ChEMBL
55512,CC1=CC(C)C2C13Oc1ccccc1C23C,0,GDB ChEMBL
202787,CCN(C(=O)NC(=N)N)c1cnc[nH]c1=NC,1,GDB ChEMBL
193182,Cc1ccc2c(c1)CC1C=CCCCC21C,0,GDB ChEMBL
70330,CCCC1CCC(C(C)(C)[NH3+])C([NH2+]C)C1C,0,GDB ChEMBL
339276,Cc1cc(CC(C)(C)CO)nc(=O)n(C)c1=O,0,GDB ChEMBL
36152,Cc1cn(C(C)C(C)C=O)nn1,1,GDB ChEMBL
210774,C1CCC(CC2OCCO2)C1,1,GDB ChEMBL
304101,CC[NH+]1CC(N)=[NH+]CCC1CO,0,GDB ChEMBL
17516,CC(C[NH3+])C(O)C(O)C#N,0,GDB ChEMBL
243774,CC1NS(=O)(=O)OCC(O)CC[NH2+]C1CO,1,GDB ChEMBL
77526,N=C(CO)NC(C(N)=O)C(=O)[O-],1,GDB ChEMBL
104400,CCC1CNC2CCC3C(C(C)C)C[NH+]1C23,0,GDB ChEMBL
292191,CNc1nc(C#N)c(C)c(C2C[NH2+]C2)c1N,0,GDB ChEMBL
177835,COCC(C)C(C1C=CCCC1)C1CCC1,0,GDB ChEMBL
330112,N#CC(=N)N1CC(O)COC1=O,1,GDB ChEMBL
230492,CN=C1NC(=[NH2+])CCC(O)CN1C(=O)C(=O)[O-],0,GDB ChEMBL
180063,CC(=O)NC(C)C1([NH3+])C2(C)CCCC21C,0,GDB ChEMBL
260741,COC1C(CNC(N)=O)CC(O)C1[NH3+],0,GDB ChEMBL
175728,CCCCC1NC2=[NH+]C(C)CN2C1=N,0,GDB ChEMBL
277636,C[NH+](C)C(CCCO)C1CN1,0,GDB ChEMBL
201346,CCc1c(C)[nH]c2c1CCC2,1,GDB ChEMBL
203778,CCC(C)C1C(O)(CC(C)C)C12CCCO2,0,GDB ChEMBL
159683,C1CC2CC(C3CC3)C3CC3[NH+]2C1,0,GDB ChEMBL
102147,CNC(=O)C1C(N)C2C(O)C1NS2(=O)=O,0,GDB ChEMBL
312566,NC(=[NH2+])NC(CO)COCC=O,0,GDB ChEMBL
44699,CCCc1cc(Br)c2c(c1)C(C)C(C=O)CC2,1,GDB ChEMBL
222117,C#CC1=CC(CC)[NH+](CCCO)C(C)C=C1,0,GDB ChEMBL
309810,CCCCC1(c2cc[nH]c2)CCC(N)=[NH+]C1,0,GDB ChEMBL
34914,C#CC1c2cc(Br)c(Br)cc2NC(=O)C1OC,0,GDB ChEMBL
338334,Cc1cc(C2C(C)C2C[NH+](C)C)[nH]c1C,0,GDB ChEMBL
173927,CC([NH3+])C1Cn2nncc2CCNC1=O,0,GDB ChEMBL
125606,O=C(NCc1cccnc1F)c1nc(O)no1,1,GDB ChEMBL
308181,C[NH2+]CC1CC(C#N)C(C(=O)[O-])C2([NH3+])CC12,0,GDB ChEMBL
144615,CCOC(=O)C1=CC(CC)(C[NH3+])CC1(C)[NH3+],0,GDB ChEMBL
127179,NC(=[NH2+])NCC1C(CO)C=CN1C(N)=[NH2+],0,GDB ChEMBL
23911,COCC1CC2[NH2+]C(C)C(C)N(CC#N)C2C1,0,GDB ChEMBL
190083,O=C1COC(=O)N1C(=O)C(O)CO,1,GDB ChEMBL
97168,N=C1NS(=O)(=O)CC(O)C([NH3+])CO1,0,GDB ChEMBL
391738,CC1OC(=N)N(Cc2ccnc(C[NH3+])n2)C1C,1,GDB ChEMBL
396729,CN=c1c(CO)cn(CCOC)nc1Cl,0,GDB ChEMBL
5007,CC(=O)CN=C(NCCO)C(C)(C)C#N,0,GDB ChEMBL
228470,CCOCC1CC(=O)[CH-]C(=O)C=C(C)N1,0,GDB ChEMBL
131680,COC(=O)NC1CC1(C)OCC#CCO,1,GDB ChEMBL
369906,CC1CC(C(C#N)(C#N)C(=O)[O-])C1,0,GDB ChEMBL
50959,Cc1ccnc2c(I)c(I)c(C(N)=O)c(N)c12,1,GDB ChEMBL
377322,C#CC1CC(=C)CC(C)C1[NH2+]CC,0,GDB ChEMBL
161065,CC(C)c1ccccc1C[NH3+],1,GDB ChEMBL
41173,CC#CC1CCN(CC)C(=O)C(=N)N1,0,GDB ChEMBL
118662,CCNC(=[NH+]c1ccnn1C)C1CC1,0,GDB ChEMBL
203216,CCc1c(N)[nH]c(C)c1CCCOC,1,GDB ChEMBL
200703,C#CC(C(C=C)CCC)C1CC[NH2+]1,0,GDB ChEMBL
334147,CCC1CC2C=CCC[NH+]1C(C)CCCC2,0,GDB ChEMBL
117461,COc1nc(C[NH2+]CCCNC(N)=[NH2+])sc1N,0,GDB ChEMBL
167328,CC([NH3+])C(O)(CC(=O)[O-])CS(=O)(=O)[O-],0,GDB ChEMBL
24027,CCC1=C2CC(C)=CCc3cccc(c32)C1,0,GDB ChEMBL
193229,CC#CC(C)(CCC(F)(F)F)C1=CCCC1,1,GDB ChEMBL
169381,COCC1C[NH2+]CC(NC(N)=O)(C2CO2)C1,0,GDB ChEMBL
75455,CCOC(=O)C1(C(CCC=O)=N[O-])C[NH2+]C1,0,GDB ChEMBL
23484,CCC(C)OCC1C(CO)C2C([NH3+])CC1N2C,0,GDB ChEMBL
314141,CC1=[NH+]CC2Cc3c(cc(F)c(F)c3C)CN12,0,GDB ChEMBL
193210,NC(=O)C(C=O)NC(=O)N1CC1,1,GDB ChEMBL
303336,N=C([N-]S(=O)(=O)C1CC1)C(=O)COCCO,0,GDB ChEMBL
170427,CCCC(N=C(N)c1noc(C)n1)C(N)C[NH3+],0,GDB ChEMBL
47513,Cc1cc(CC2C3CC(C)C2C2CC32)on1,0,GDB ChEMBL
76386,CC1CCCCC2C1C2[NH+](C)C1CC1,0,GDB ChEMBL
149423,C[NH2+]C(C)(CCC(O)C(=O)[O-])CC(C)[NH3+],0,GDB ChEMBL
174821,C1=CC(CC2=CCCCC2)CCC1,1,GDB ChEMBL
29951,CCCC(N)=[NH+]C1(CCC)COCCCC1O,0,GDB ChEMBL
311000,[NH3+]C1CC=CCC=C(CCO)C1,0,GDB ChEMBL
277384,C#CC[NH2+]C1C2CC(O)C(C)C21,0,GDB ChEMBL
287339,N#CCC(Cc1csnc1N)C(N)=O,1,GDB ChEMBL
304656,C[NH2+]C1C(C)C2CCC1N2C,0,GDB ChEMBL
393534,COC(=O)NC(=O)N(C)Cc1coc([O-])n1,0,GDB ChEMBL
274407,CCc1cnc(S(N)(=O)=O)c(C(N)=[NH2+])c1N,0,GDB ChEMBL
142938,C#Cc1cc(C)c(C(CC)CC)c(Cl)c1C#C,1,GDB ChEMBL
276031,O=C1NC2C(OCC[NH2+]C2C(=O)[O-])O1,0,GDB ChEMBL
362041,C#CCCC1(C)CC(C)C(C)(CCC)C(C)[NH2+]1,0,GDB ChEMBL
362002,COC1C(O)C1(CC(C)C[NH3+])OC(N)=O,0,GDB ChEMBL
122975,CCC1N=C(C(C)(CC#N)C(F)(F)F)OC1=O,0,GDB ChEMBL
361658,CC(C)C1=CC(CC(N)C#N)CC(=O)N1,0,GDB ChEMBL
228815,CCC(O)CC(O)CC#N,1,GDB ChEMBL
180974,CCc1nccc2c1CCCCC(C)CC2C,1,GDB ChEMBL
51023,C[NH+](CCO)C1CC2CNC1C1CN1C2=O,0,GDB ChEMBL
191373,C#CC1(c2cccc(Br)c2)CCC([NH2+]C)CC1,0,GDB ChEMBL
382091,CC(C)(CC1(C)CC1O)NCC(F)(F)F,1,GDB ChEMBL
382591,Cc1cc(Br)c(Br)c(N)n1,1,GDB ChEMBL
93089,CCC(CC1=CCC(C(O)CO)C1)C1CC1,1,GDB ChEMBL
109222,CCC1[NH2+]CC(C)(NC)C(CO)C1C,0,GDB ChEMBL
26788,C1=CC2CC1C2OCC1CC1,0,GDB ChEMBL
354040,Cc1csc2c(Br)cccc12,1,GDB ChEMBL
29764,C#Cc1cc(O)c2c(C=O)ccc(Cl)c2c1C,1,GDB ChEMBL
388232,CC1(CCO)CC2CC2[NH2+]1,0,GDB ChEMBL
352654,CC(C)CC1=C(C[NH3+])C(=O)OC1,0,GDB ChEMBL
243742,CC(=O)N1CC(O)(C[NH3+])C1C[NH3+],0,GDB ChEMBL
335486,NC(C[NH3+])CC1OC(S(N)(=O)=O)C(O)C1O,0,GDB ChEMBL
2372,O=C([O-])C(CO)n1c(=O)[nH]cc([O-])c1=O,0,GDB ChEMBL
84445,C=CC1CC=CCC(C(C)C)C1O,1,GDB ChEMBL
28168,C#CC1(CC)CCCC2CC(C)OCC2C[NH2+]1,0,GDB ChEMBL
244484,CCC(C)C1CC2C3C=CC(C2C1)C1CC31,0,GDB ChEMBL
190428,C#Cc1cccc(CC[NH3+])n1,0,GDB ChEMBL
383343,CC(=O)CC1[NH2+]C(CO)C2OC12,0,GDB ChEMBL
336082,CC1C[NH2+]CCC2=NC(CO1)C(=O)N2,0,GDB ChEMBL
17603,CCCC1(CNCC#N)C(C)C1O,1,GDB ChEMBL
58998,CC1(O)C2OC(=O)CC(C(N)=O)C21,0,GDB ChEMBL
263803,O=C1CC=CC(C2CC2)O1,1,GDB ChEMBL
1112,CCC1(C)CCc2c1ccc(Cl)c2C,1,GDB ChEMBL
132987,CC(O)CCNc1nc(C(O)C(=O)[O-])sc1N,1,GDB ChEMBL
330051,CC(O)C1C2CC(C(=O)N2)C1C,0,GDB ChEMBL
274410,CCC12CC(C1)[NH2+]CCCCO2,0,GDB ChEMBL
300212,CCC(CC)C1=[NH+]C(C)(C)CC([NH2+]C)CN1C,0,GDB ChEMBL
29672,C#CCC1CC(O)C2[NH2+]CCC(C)C12,0,GDB ChEMBL
5326,[NH3+]CCC1([NH3+])CCCC(O)CNC1=O,0,GDB ChEMBL
279258,CNc1cn(C(C)(C)C)nn1,1,GDB ChEMBL
198785,COC(=O)C1(C)NC(=O)OC(C[NH3+])C1N,0,GDB ChEMBL
363235,CC1NC(C#N)C(C)C2(CC(=O)[O-])CC12,0,GDB ChEMBL
296604,CC1OC(CO)(C(=O)CCC#N)C(=N)NC1=O,0,GDB ChEMBL
292220,C#CCC([NH2+]C)C1C[NH2+]CC1(C)C(F)(F)F,0,GDB ChEMBL
65911,CN1CC(=O)OCOCCC1CC=O,0,GDB ChEMBL
184091,O=C([O-])C(O)C1(C2CC[NH2+]2)CS(=O)(=O)C1,0,GDB ChEMBL
309649,CC([NH3+])CC1OC(=O)C2CC1(O)C2,0,GDB ChEMBL
275541,CCC(C)c1ccc(C)nc1,1,GDB ChEMBL
279950,CC(=O)N1Cc2n[nH]nc2C1C(=O)[O-],0,GDB ChEMBL
115452,C[NH2+]C1CC2CC1(C[NH3+])CO2,0,GDB ChEMBL
262551,O=CN1C(=O)C2OCC1C(O)COC2C(=O)[O-],0,GDB ChEMBL
382586,COCC1(CC#N)CCC(O)CC1[NH3+],0,GDB ChEMBL
228382,CCOCCN(C)S(=O)(=O)c1cc(C)c(N)[nH]1,1,GDB ChEMBL
181351,CCC(CC(C)(C)OC)c1cc(C)cc(Br)c1,1,GDB ChEMBL
277548,NC(=[NH2+])OC(CO)C(O)CCOC(N)=O,0,GDB ChEMBL
202536,CNc1nc(O)n(C)c1C(=O)OCCC(N)=O,1,GDB ChEMBL
246819,O=C([O-])C1CC2[NH2+]C(C(=O)N1)C2(O)C=N[O-],0,GDB ChEMBL
192581,CCC1(C)OC(C)(C)CC1C(C)C,1,GDB ChEMBL
338575,[NH3+]CCOC(=O)c1scnc1C1CC1C[NH3+],0,GDB ChEMBL
321398,N=COCC(O)C1[NH2+]C2CCC1C2,0,GDB ChEMBL
140891,CC(C)C1C(C(C)C(F)(F)F)CCCC1(C)C,0,GDB ChEMBL
174867,CC(=CC#N)C1CC([NH3+])(C(=O)[O-])C1,1,GDB ChEMBL
132196,CCN(C(=O)C[NH3+])C1C(N)C1[NH2+]C,0,GDB ChEMBL
279979,CCC([NH+]=C(N)N)C1CC(=O)N2CC12,0,GDB ChEMBL
298022,N#CC1CC2[NH2+]CC1(CO)C2=O,0,GDB ChEMBL
384270,CC12CCCC(C3CCOC3=O)CC(CC1)C2,0,GDB ChEMBL
387218,CC12COC1C1CC(C[NH2+]C(C=O)C1)C2,0,GDB ChEMBL
89680,[NH3+]CC1C2C3CCC([NH2+]3)C12,0,GDB ChEMBL
347028,C#CCCC(C)Cc1cc(I)c(CC)cc1C,1,GDB ChEMBL
387250,CCC[NH+]1CC(C)C(C)C(C)[NH2+]C2CC1C2,0,GDB ChEMBL
119792,NS(=O)(=O)C12CCC(O)C1N2C(=O)C[NH3+],0,GDB ChEMBL
392495,C#CC(C)(O)CC1COCCC1(O)CCCC,1,GDB ChEMBL
129782,C#CC12CNC(C(O)C[NH3+])CN1C2CCC,0,GDB ChEMBL
157752,N=C(N)NC(=O)CC1C(O)CC1O,0,GDB ChEMBL
70317,C[NH+]=CN(CC(=O)[O-])C(C)C,0,GDB ChEMBL
112541,CS(=O)(=O)[N-]C(=O)C(O)C1NCC1[NH3+],0,GDB ChEMBL
339048,Cc1ccccc(C#N)[nH]c(C)c1,0,GDB ChEMBL
307609,CCOC1CCCCCC2C=C(C)CC21C,0,GDB ChEMBL
274962,CN1CC[NH+]2CC3CC2C(O)C31,0,GDB ChEMBL
379746,CC(C)OCCC1C([NH3+])CN1C,0,GDB ChEMBL
358619,CNc1ccc(C)c(CC2CC2)c1Br,1,GDB ChEMBL
246364,CN1C(=O)CC2C(CO)C1C(=N)NS2(=O)=O,0,GDB ChEMBL
200766,CC1=CCCC2OCCOC2C1,1,GDB ChEMBL
4858,CC[NH2+]CC(C)N(C(C)C)S(=O)(=O)CC#N,0,GDB ChEMBL
388396,NC(=[NH2+])CC1NC(=O)C=C(N)CCNC1=O,0,GDB ChEMBL
28161,CC1(O)C[NH2+]CCOCCc2cccc1c2,0,GDB ChEMBL
66203,NC1C(OC(CO)CO)C[NH2+]C12CC2,0,GDB ChEMBL
333062,C#CC1C(C)CC(CC(C)C)C[NH+](C)CC1N,0,GDB ChEMBL
280693,CC1CCc2cc(Br)c(Br)c(N)c2C1,1,GDB ChEMBL
81480,O=CCCC(CO)N1CCOC(=O)C1,1,GDB ChEMBL
29189,C#CC1C[NH+]2CC(CO)CC2CN1,0,GDB ChEMBL
367639,O=C1OCC2CC12C(O)CO,0,GDB ChEMBL
129389,CCC1CC(C)CCC2CCCC(C)CC21C,0,GDB ChEMBL
136123,C#CCNc1ccc(C2CC2)c(F)c1,1,GDB ChEMBL
372595,CC(=O)Nc1nc(O)cc(Cl)c1[O-],0,GDB ChEMBL
203497,COCC(O)CN1C(C#N)CS1(=O)=O,1,GDB ChEMBL
22483,CC1CC=C2CC[NH2+]C2(CO)C1,0,GDB ChEMBL
352198,[NH3+]C1CCN(c2cc(I)oc(=O)c2)CC1,0,GDB ChEMBL
31065,CCCCCC(C#N)CC1([NH3+])CC(CC)C1,0,GDB ChEMBL
350304,O=c1[nH]ccn1C1C[NH2+]C2CCOC1C2O,0,GDB ChEMBL
366532,OCC1(O)CCC(O)C1,1,GDB ChEMBL
70122,CCc1c(Br)ccc2c1C(CC)C(C)(C)CC2,0,GDB ChEMBL
394309,CC(O)C1CN1C(C)C1COC(=O)N1,0,GDB ChEMBL
379715,CC1CC2COCCCOCC2C(C)OC1=O,0,GDB ChEMBL
118461,C#CC(NC(C)CC[NH3+])c1csc(CCC)c1,0,GDB ChEMBL
181505,N#CC1(N)C2[N-]C(=O)C1(C(=O)[O-])OC2=O,0,GDB ChEMBL
207014,C#CC1Cc2cc(C)cc3c2C1CN3,0,GDB ChEMBL
231087,CCCCc1c[nH]c(CC)n1,1,GDB ChEMBL
181540,CCNC1C=CC(OC)CCC[NH2+]C1,0,GDB ChEMBL
51889,[NH2+]=C1NCC2C3C4CCC([NH2+]4)C(CO)C3CN12,0,GDB ChEMBL
362219,C#CCC1C=CC2CC=CC2C1CCCC,0,GDB ChEMBL
375871,C#CCc1cc(F)ccc1CCC,1,GDB ChEMBL
362635,CC(C)N(CC(=O)C1(O)C[NH2+]C1)C(N)=[NH2+],0,GDB ChEMBL
127878,CCCC12C[NH+](CC1C)C(C)C2C(N)=O,0,GDB ChEMBL
321973,C#CC1C(=O)OC(C)C1(C)C,1,GDB ChEMBL
232123,CCC([NH3+])C1C([NH3+])C1C(C[NH3+])NC,0,GDB ChEMBL
227925,CC(=O)NC(C(C)=O)C(O)S(N)(=O)=O,0,GDB ChEMBL
271030,CC1CCCC2[NH+]3CC4C(C3)C142,0,GDB ChEMBL
216501,CC(C[NH3+])C1OCOC(C[NH3+])CC1NC(N)=O,0,GDB ChEMBL
398183,C#CC1CC2[NH+](C)C(C)CCCCC2(CC)C1,0,GDB ChEMBL
42596,CC12COCC1C2C(=O)[O-],0,GDB ChEMBL
25139,CNC1CC[NH2+]C1C(N)=O,1,GDB ChEMBL
255090,CC1(CO)CCC(C#N)C(NC=O)C(N)C[NH2+]1,0,GDB ChEMBL
61911,CCCOC1CCCC12CC(C(C)CC)CO2,0,GDB ChEMBL
367612,CCOC1(C)CC2CC2CC1OC,1,GDB ChEMBL
196749,[NH3+]CCCC1C23CCC1(CC2)O3,0,GDB ChEMBL
169475,Cc1cc(F)c(N)c(C(C)O)c1C#N,1,GDB ChEMBL
151205,CCC([NH3+])C1C(C)C1n1cc(C)cc1C,0,GDB ChEMBL
307478,CCCC1(C)C(CC(C)C)CC(C)C1(C)CC,0,GDB ChEMBL
374325,CC[NH+](C)CCCC(O)CC(C)[NH+](C)C,0,GDB ChEMBL
35503,CC1CC2C3CC1C2[NH+](C)C3C,0,GDB ChEMBL
308207,CN1C=C2CC[NH2+]CCC(CC2O)[NH+]=C1N,0,GDB ChEMBL
203281,CCc1ccn(C)c1C(C)C,1,GDB ChEMBL
107685,CC(C)C(O)C(C#N)C(N)=[NH2+],0,GDB ChEMBL
383931,Clc1cc(Cl)c2c(c1)C=CCC21CC1,1,GDB ChEMBL
363756,C#CC(NCC)=[NH+]c1ccc(F)c(C)c1CC,0,GDB ChEMBL
174924,CCC1CC2CCC1C(C)CCCC=C2C,0,GDB ChEMBL
351413,[NH3+]CCCc1cc2c(s1)C1CCC[NH2+]C2C1,0,GDB ChEMBL
203552,CC1=CCC(C#N)COCC1=O,1,GDB ChEMBL
379708,CC1C(CCC#N)C12CC[NH2+]C(CC[NH3+])C2,0,GDB ChEMBL
202495,CCOC(C)(CC)CCCO,1,GDB ChEMBL
243320,CC1C(C)C2CCC1C21CCCC1,0,GDB ChEMBL
336074,CCOC1COC(=O)C(CO)(NC)C1=NO,0,GDB ChEMBL
310105,Cc1cc(F)c2c3c1CCCC3C(C)C2(C)C,0,GDB ChEMBL
7791,CC(=O)CC12C[NH2+]C(C1)C2,0,GDB ChEMBL
20138,CC1(C)CCCn2nccc2C1C1C[NH2+]1,0,GDB ChEMBL
1986,COC(N)=[NH+]CC1OCCC1(C)C,0,GDB ChEMBL
300690,NC(=O)OC1CC([NH3+])COC1C(N)=O,0,GDB ChEMBL
18917,N#CC(CO)NCC1C(O)CC2CN21,0,GDB ChEMBL
275557,CCC1C(COC)C2C(C1OC)N2C(N)=[NH2+],0,GDB ChEMBL
209473,CC1(C)CC(CO)(n2ccnc2O)C[NH2+]1,0,GDB ChEMBL
366592,CCC1(c2ccccc2)C(C)CCC2CC21,0,GDB ChEMBL
286298,CC1(C)CCNC(=O)CC2C=C(CC2)C1,0,GDB ChEMBL
173998,CCc1csc(N2CC2C)n1,1,GDB ChEMBL
201492,C#C[C-](C#N)C(=O)N1CC1,0,GDB ChEMBL
285112,O=CS(=O)(=O)CCNC(=O)C1CC=CC1,1,GDB ChEMBL
188517,COC(=O)N(C)C(=O)NC(=O)C(N)=O,1,GDB ChEMBL
124229,OCC1CCC(C(O)CO)OC1,1,GDB ChEMBL
112439,CCc1cc(C#CC2CC2)c(C)s1,1,GDB ChEMBL
370361,C[NH+]=CNCC(C)Nc1ncc(C(N)=O)nn1,0,GDB ChEMBL
255413,NC(=[NH2+])C1CC2([NH3+])CN1C2CC(=O)[O-],0,GDB ChEMBL
203772,C#CC1(C[NH3+])C(=O)NC2CCC1C2,0,GDB ChEMBL
305845,CCC1C2CCC13C(C[NH2+]C)C3C2,0,GDB ChEMBL
2154,Nc1cn2c(n1)C(N1CCC1)CCOCC2,0,GDB ChEMBL
286820,CCCC1CCC(C(N)=O)[NH2+]C1,0,GDB ChEMBL
210280,CC1CCCC2CC(O)C3C2N13,0,GDB ChEMBL
357624,C#CC1CC2C(CCCC)CC1OC2C[NH3+],0,GDB ChEMBL
263300,C[NH+]1CCCC2CN(CC(C)(N)C1)C2=O,0,GDB ChEMBL
124565,COC12CCCC(CC1C)C(C)C2,1,GDB ChEMBL
358236,[NH3+]CC(=O)Nc1ncon1,1,GDB ChEMBL
366884,CN1C(=O)NC23COCC(=O)C2CC(C)(O)C13,0,GDB ChEMBL
306304,CC(C)(O)c1cc(C(=O)c2ccccc2)cs1,1,GDB ChEMBL
182289,CC[NH+](C)CC1(C)C=CCCC1,0,GDB ChEMBL
383047,C[NH2+]C(C)C(O)C1CCCC(C)(C)C(=O)C1,0,GDB ChEMBL
147406,CC1CN1CC(O)C1COC(CO)C1,1,GDB ChEMBL
76944,CC1CC(CS(=O)(=O)[O-])C(C)CCC1O,0,GDB ChEMBL
345521,C#CCOC(COC)=NC,1,GDB ChEMBL
363268,CC(C)(O)CC(=CC#CC[NH3+])CO,0,GDB ChEMBL
274175,CCCC1OC(OC)CC1O,1,GDB ChEMBL
358943,CC1OC(=O)NC12C=CC(=O)C2CCO,0,GDB ChEMBL
262306,CC1(C(=O)[O-])[NH2+]CC1(O)CC(N)=O,0,GDB ChEMBL
174253,C[NH2+]C(C)c1cc(OC)cc(C(F)(F)F)c1Br,0,GDB ChEMBL
234268,CCC1CC(=O)OC2OC(N)=[NH+]CCC12CO,0,GDB ChEMBL
340440,COC(N)=[NH+]CCN1CC1C,0,GDB ChEMBL
50268,CC1CC([NH2+]C2(C)CC2)COC1C,0,GDB ChEMBL
230246,CC1=CC(C(C)(C)C)CC(=O)OCOC1,0,GDB ChEMBL
48103,CC1=[NH+]C(C(=O)[O-])CCCN1,1,GDB ChEMBL
319138,NC(=O)C1C(CO)[NH2+]C2C(C(=O)[O-])C21,0,GDB ChEMBL
349511,COC1CC2CCC1(C(=O)[O-])[NH2+]C2,1,GDB ChEMBL
352563,CCC([NH3+])CCC#CC1C[NH2+]C1,0,GDB ChEMBL
15551,[NH3+]CCCC12C=CCC1COCCO2,0,GDB ChEMBL
283387,CCC12CC(C(=O)C(=O)[O-])[NH2+]C1C2(C)C,0,GDB ChEMBL
203562,C#CCC1C(C[NH3+])C([NH3+])C(C)C1C(=O)NC,0,GDB ChEMBL
6059,CC(C)NC(=O)C12CC(C)C(=NO)CN1C2,0,GDB ChEMBL
289459,CCOCCC1=C(C)C=CC[NH2+]CC1,0,GDB ChEMBL
391279,CC(C)CNC(C)(CC(C)C[NH3+])C(F)(F)F,0,GDB ChEMBL
281806,C#CC1(CO)CC2C(CC)C[NH+](C1)C2CO,0,GDB ChEMBL
124534,NC(=[NH2+])CNC(CC(=O)[O-])C(N)=O,0,GDB ChEMBL
260755,C[NH+](C)C1CC2CC(C1)C2(C)C,0,GDB ChEMBL
368546,CNC1=[NH+]CCOC(=O)NC(=O)C1,0,GDB ChEMBL
323171,CCCC(CC1CC(C)CC1(C)C)C(C)CC,0,GDB ChEMBL
338264,C1=CC2CC(C1)C[NH+]2C1CC1,0,GDB ChEMBL
150490,CNC(=[NH2+])C1NC2C(C(=O)[O-])[NH2+]CCC2C1O,0,GDB ChEMBL
277986,CC(=[NH2+])NCC12COC(CN1CC[NH3+])C2,0,GDB ChEMBL
203194,CC1C=CCOCC2C(CO)C2C1,0,GDB ChEMBL
379152,CC1C2(CO)NC(=O)C([NH3+])C12O,0,GDB ChEMBL
180973,CC1CC2C(C)C(O)C(C)[NH+]2C1,0,GDB ChEMBL
126339,CC1C(=O)C=C2COCCCC1(O)C2,0,GDB ChEMBL
198789,Cc1cc(Cl)cnc1COC=O,1,GDB ChEMBL
28211,NC(=O)CNCC(=O)NC(=O)NC=O,1,GDB ChEMBL
273793,C#CC(C)(CC)C[NH2+]C(C(C)O)C(N)CO,0,GDB ChEMBL
321433,CC#CC1(C)CC=CC(c2ccccc2)C1,0,GDB ChEMBL
235631,OCC1(C2CC(O)C[NH2+]2)CO1,0,GDB ChEMBL
290524,C#CC(CC)[NH+]1CCCC(C(C)(C)CCC)C1,0,GDB ChEMBL
33852,CCC1CC2C(O1)C2(C#N)N1CCC([NH3+])C1,0,GDB ChEMBL
50267,O=C([O-])C1CCC(O)CCO1,1,GDB ChEMBL
337441,CC(=O)OC12C(=O)C=CCNC1C2O,0,GDB ChEMBL
112889,O=C([O-])C12COC1C[NH2+]C1CC12,0,GDB ChEMBL
339951,CCCNC=[NH+]C1CC2CC(CO)C1OC2C,0,GDB ChEMBL
350949,C[NH+]1CCC(C2C3CCCCC2C3)C1,0,GDB ChEMBL
84567,CC1=CCCC(CN)[NH2+]CCC1,0,GDB ChEMBL
377328,[NH3+]CC12C(=O)NCC(O)C1C2[NH3+],0,GDB ChEMBL
255127,NC(=O)CCC1C(O)CCCOC12CC2,0,GDB ChEMBL
31284,C[NH2+]CC1(CN)NCCN(C)C1=O,0,GDB ChEMBL
271122,COC1(C(=O)[O-])C=C(C)CCOCOC1,0,GDB ChEMBL
3972,COC(C)C1CCc2cc(Cl)nc(O)c2C1C,0,GDB ChEMBL
355295,CCC(C)C1C=CC(C)(C)CC1C(C)(C)C,0,GDB ChEMBL
235619,N=C(N)NS(=O)(=O)c1c[nH]nc1N,1,GDB ChEMBL
278194,C[NH2+]CC1(N)CCNC(=O)CC1(N)C#N,0,GDB ChEMBL
188534,COCCC1C=CC2OC2CCCC1,0,GDB ChEMBL
323982,Cc1cc(N)c2c(cc1=O)CC(C)CC[NH2+]2,0,GDB ChEMBL
341159,CC(CC[NH3+])CCC1(C)CCCC[NH2+]CC1C,0,GDB ChEMBL
214030,O=CNC(=NCC(O)CO)C(=O)[O-],0,GDB ChEMBL
40894,CC1=CNC(=O)CCOCC1C[NH3+],0,GDB ChEMBL
203123,CCCCCC1(C)C2CC1C(C)CC2C,0,GDB ChEMBL
184296,CC1CCCCC2OCC1C2C(C)C1CC1,0,GDB ChEMBL
79254,CNC(=O)C1C(N)C[NH2+]C1CO,0,GDB ChEMBL
151097,CCCN(C)C(=O)CS(=O)(=O)C(=N)N,0,GDB ChEMBL
292946,CC(OC(N)=O)C1([NH3+])CC1,0,GDB ChEMBL
209428,CC1C[NH2+]CC(C)NC(=[NH2+])C1,0,GDB ChEMBL
48050,CC1C=CC2CCC([NH3+])CC2C1C(C)(C)O,0,GDB ChEMBL
104731,CC(C)N(CC[NH3+])c1cc(CC[NH3+])ncc1Br,0,GDB ChEMBL
358547,C[NH2+]Cc1ccnc(-c2cccs2)c1,0,GDB ChEMBL
235218,N#CC1C(=O)NC(N)=NC2C3C(O)CN1C23,0,GDB ChEMBL
348610,COC1CC[NH+](CC2=NCC(C)N2)C1,1,GDB ChEMBL
274919,CC1[NH2+]CC2OC1C1C(O)C2OC(=O)N1C,0,GDB ChEMBL
304589,[NH3+]CC(=O)NC1C2C3OC3C12,0,GDB ChEMBL
118143,N#CC1(NC(=O)OCC(N)=O)CC1O,1,GDB ChEMBL
374886,CCCC#CC1([NH3+])CN(C)C1,0,GDB ChEMBL
304025,CCOC1C(C(N)=O)C1(N)C(O)C([NH3+])CC,0,GDB ChEMBL
129384,CCCC(C)(C)C(O)COc1ccc(C)cn1,1,GDB ChEMBL
358129,CCc1nc(=O)c(N)c2c(Cl)ccnn12,0,GDB ChEMBL
89361,CC(=O)C1=CCc2cc(I)ccc2C1,1,GDB ChEMBL
232092,CC1CC=CC(c2ccccc2F)=CC1,1,GDB ChEMBL
349952,CC(C)(O)Cc1occc1C#N,1,GDB ChEMBL
93716,C[NH2+]C1CC2(C)CC1N(C)C2,0,GDB ChEMBL
279277,CC#CCc1c(CC)cc2c(c1N)CCO2,1,GDB ChEMBL
277427,C#CC1COC(C)(C(CC)NCC#N)CC1=O,0,GDB ChEMBL
320268,N#CCOC(C[NH3+])C1CC=CC1,0,GDB ChEMBL
23491,Cc1cc(Br)c(Br)c(CC(C)(C)C(C)C)c1N,0,GDB ChEMBL
6006,CC([NH3+])C(C)(N)CC(=[NH2+])NCCNCC(N)=O,0,GDB ChEMBL
379855,CC[NH+]=C(N)C(N)C(=O)NC(=N)CCO,0,GDB ChEMBL
255452,CNc1cc(CO)c(N)cc(=O)c1C,0,GDB ChEMBL
20143,N#CC[N-]C(=O)Cc1csnn1,0,GDB ChEMBL
278118,Brc1cnc(C2CC2)cn1,1,GDB ChEMBL
34332,CC1(CO)CCCCC(=[NH2+])N1,0,GDB ChEMBL
127924,N#CC1OC1C1C(O)C([NH3+])CCN1CC[NH3+],0,GDB ChEMBL
208319,CCC(CC1CCC[NH2+]C1)C1=CCC2CC12,0,GDB ChEMBL
372673,CCN(C)C1(CO)COC1CC(N)=[NH2+],0,GDB ChEMBL
209474,[NH2+]=C1CC(O)c2cc(Cl)ncc2CN1,0,GDB ChEMBL
350646,CCCC(CCC(NCC)=[NH+]C)C(CO)CO,0,GDB ChEMBL
362582,CCNC=[NH+]C1(COC(=O)C(C)N)CC1,0,GDB ChEMBL
246763,CC(O)C([NH3+])C(C(N)=O)C(N)=O,0,GDB ChEMBL
289444,CCC(C)C1CC2CCC(CC(C)C(C)C2)C1,0,GDB ChEMBL
244505,C#CC1NC(=O)C2CCC(O)C12,0,GDB ChEMBL
254904,CCCC(CC)C([NH3+])C1CC1CC(C)C,0,GDB ChEMBL
380261,Cc1ccn(CC#N)c(N)cc(CO)c(N)n1,0,GDB ChEMBL
31781,C=CC(C)(C)C(O)(C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
273677,CN1C2C(CC(N)=O)CC(O)(CO)C21,0,GDB ChEMBL
362069,CCN=C1NC(=O)c2c1c(C)c(CC[NH3+])n2C,0,GDB ChEMBL
312237,CCCC1C[NH+]=C(N(C)C(=O)COC(C)C)C1,0,GDB ChEMBL
130369,CNc1c(OC)cc(Cl)nc1[N+](=O)[O-],1,GDB ChEMBL
44955,CC1CC(O)CC(=O)C(O)C(=O)O1,1,GDB ChEMBL
31760,CCC1C2CC3C[NH2+]C(C)C1C3C2,0,GDB ChEMBL
277597,N#Cc1c(N)cnn1C(=O)NC(=N)N,1,GDB ChEMBL
221352,CCC1=CC(C([NH3+])C(C)C)CC1,0,GDB ChEMBL
352565,COC1COC2CCCCOC(COC2)C1[NH3+],0,GDB ChEMBL
250564,C#CC(c1c(C)ccc2cc[nH]c12)C1CC1,1,GDB ChEMBL
225402,COCC(O)C(O)CS(C)(=O)=O,1,GDB ChEMBL
53266,C#CC(CC(=O)[O-])CC(=O)N(C)C(=N)C[NH3+],0,GDB ChEMBL
182282,O=C1CNC(CO)C2OC(=O)C2N1,0,GDB ChEMBL
202807,Cc1ccc(Br)c(C2(CO)CCCC2)n1,1,GDB ChEMBL
140264,CC12CC3CC1C=CC2C3,0,GDB ChEMBL
215870,C#CC(C([NH3+])CCC)C1(C)CC2CCC1C2C,0,GDB ChEMBL
375519,CCC(CC1COC1)NC(=O)N(C)CC,1,GDB ChEMBL
374188,Cc1cc2c(c(C(F)(F)F)c1F)CCCCC2,1,GDB ChEMBL
292728,COCC1CC2[NH2+]C(c3cccs3)C1CC2C,0,GDB ChEMBL
207956,CC1C2CC=C(NC(=O)CCCO2)C1C[NH3+],0,GDB ChEMBL
119644,Cn1cncc1C12C=CCC1C2,0,GDB ChEMBL
172330,C#CC(C#N)CN1CC(C)CC1C=O,1,GDB ChEMBL
235954,CCCC1(C)C2CCC1(C)OC(CC)C2,0,GDB ChEMBL
382558,CCOC(C)CC(C)[NH3+],0,GDB ChEMBL
26409,C#CCCCC1=CC(C)C[NH2+]C1,0,GDB ChEMBL
240010,C#CC(COC)OC(=O)C(N)C(=O)NC(N)=O,1,GDB ChEMBL
273836,CCC1OC(C)(COC)C(C)(C#N)C1C(N)=[NH2+],0,GDB ChEMBL
313360,Cc1c(O)ccsc(N)ncc1O,0,GDB ChEMBL
181011,CC1C2CC2C2C(O)C=CCC[NH+]12,0,GDB ChEMBL
204327,CC(O)COc1c(N)nc(=N)nnc1[O-],0,GDB ChEMBL
44989,C#CCC(Cc1c(Cl)ccc2[nH]ccc12)[NH2+]C,0,GDB ChEMBL
44077,CC(O)C(CO)C(C)CO,1,GDB ChEMBL
221380,CCC1=C(C(=O)[O-])C[NH2+]CC[NH2+]C1,0,GDB ChEMBL
257984,CC1[NH2+]CCC(C[NH3+])C1C1COCCC(O)C1,0,GDB ChEMBL
299704,CC1=C2C=CCC2c2cccc(F)c2CC1,0,GDB ChEMBL
129788,C1CCC2(C1)CC1(CC1)C[NH2+]2,0,GDB ChEMBL
34935,CC#CCC#CCc1cccc(Cl)c1N,1,GDB ChEMBL
97135,CCc1ccc(C2=CC3OC3CC2)cc1Cl,1,GDB ChEMBL
79279,Cc1noc(CC#CC(N)C(N)=O)n1,0,GDB ChEMBL
332709,CCC1CC1([NH+](C)CCC[NH3+])C(C)(C)C,0,GDB ChEMBL
223270,CCCCC1CC=C(C(C)C2CC2OC)C1,0,GDB ChEMBL
284407,N=C(NCCO)NC(=O)CC(O)CO,1,GDB ChEMBL
859,CC(O)C1NC(=O)NC(COC(N)=[NH2+])CC1[NH3+],0,GDB ChEMBL
196501,C#CCOC1CC(=O)NC2CC1([NH3+])C2,0,GDB ChEMBL
232114,C#CCc1sc(NCC(=O)[O-])nc1O,1,GDB ChEMBL
332672,CCCCC1(C)CC2(CC)CC(CC1C)C2,0,GDB ChEMBL
42260,COCC(C)CC1(C)CC1C1(C)CCCC1,0,GDB ChEMBL
262292,CC1C(CC2COC2)C1C(=O)[O-],0,GDB ChEMBL
396737,CC1=CCC=CCC(=O)CCC(C)(C)CC1,0,GDB ChEMBL
313700,NS(=O)(=O)C1CC(CO)C2OC(=O)NC21,0,GDB ChEMBL
126408,CCCNc1ccc(Br)cc1CC(C)C(C)C,1,GDB ChEMBL
111620,CC12C=CCC(CCC1[NH3+])C2CO,0,GDB ChEMBL
28345,CC1C=CC2(CC(C[NH3+])CO)CC12,0,GDB ChEMBL
200548,CN=C1CC(C)(N(C)C(=O)C(=O)[O-])CC(C)O1,0,GDB ChEMBL
330093,OCCC1=Cc2cccn2C1,1,GDB ChEMBL
195536,CCNC(=O)Nc1ccn[nH]1,1,GDB ChEMBL
292241,C[NH2+]CCC1(N)CC(=O)OCC1C#N,0,GDB ChEMBL
41603,CC#CCC(CC(C)CC)C(C)CC(C)C,0,GDB ChEMBL
141790,O=C([O-])C1=CC2NC(=NCCC2O)OCC1,0,GDB ChEMBL
34343,CCCC1CCC=CC(=O)C=CC1C,0,GDB ChEMBL
17528,CNc1c([O-])c(I)c(C(C)C)c(C#N)c1C[NH3+],1,GDB ChEMBL
122971,CCCC12CC(CC[NH3+])(CC1O)C2,0,GDB ChEMBL
1458,CC1=CCCCC(c2cc[nH]c2)CCC1C,1,GDB ChEMBL
361122,CC(CC[NH3+])C(C)NCC#N,0,GDB ChEMBL
184500,C#CCCCCc1oc(C)cc1C#C,1,GDB ChEMBL
363803,NC(=O)C1NC2C(=NO)C(C2O)C1C(=O)[O-],0,GDB ChEMBL
124529,O=C1CCNC1C(F)(F)F,1,GDB ChEMBL
115229,Nc1c(O)cnn1CCO,1,GDB ChEMBL
112348,CCCCC(CC1(CC#N)CO1)[NH2+]C,0,GDB ChEMBL
337112,C[NH2+]CC(=O)N(C)C(C#N)(C(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
70337,CC(C)CC1CC=CC(C)(C=O)CO1,1,GDB ChEMBL
383683,CCC1C[NH+](C)CC2(C(N)=[NH2+])C(C)C2(C)O1,0,GDB ChEMBL
398909,NC(=[NH2+])C#CCOCc1cccc(I)c1,0,GDB ChEMBL
127645,Cc1[nH]ncc1C(=O)CC(N)=[NH2+],0,GDB ChEMBL
41620,Cc1cc(I)cc(N2CC([NH3+])C2)c1N,0,GDB ChEMBL
53290,C=CCC(C)CCC=CC1(O)CC1,1,GDB ChEMBL
254255,NC(=O)N1CCC2CC21,1,GDB ChEMBL
263463,Cc1c(C#N)[nH]c2nc(F)ccc12,1,GDB ChEMBL
244295,C#CCCCCC1C2CC=CC(C)C21,0,GDB ChEMBL
214385,C=CCC(CC(=O)OCC)NC=O,1,GDB ChEMBL
193332,C1=C2C[NH+](C1)C1CCCC2CCC1,0,GDB ChEMBL
175832,CCCC1CC2CC(CC)CCCC2(C)C1C,0,GDB ChEMBL
112883,CC1CC1(CC#N)c1ccc(F)cc1F,1,GDB ChEMBL
10604,CC([NH3+])C(CC[NH3+])n1cnnc1,0,GDB ChEMBL
146085,CCS(=O)(=O)C1NC1(CO)CCOC,0,GDB ChEMBL
190489,C[NH2+]C1COCC12C(C(=O)[O-])CNS2(=O)=O,0,GDB ChEMBL
184652,CC1=CC=CCC2CCCC12C,0,GDB ChEMBL
235563,CC1[NH2+]CC(C2CC=CC2)OCC1N,0,GDB ChEMBL
77325,C#CC(C)(C)C(c1cccc(C)c1)C1CC1,1,GDB ChEMBL
350668,COCC(C)(C)[NH2+]CC(C)=O,1,GDB ChEMBL
292721,Cc1cc2c(Cl)ccc(C)c2o1,1,GDB ChEMBL
135819,C#CC1=CC(C)[NH+](CC2CC2)C1,0,GDB ChEMBL
124178,CCC(=O)N1CC([NH3+])CC2(C#N)C(C)C12,0,GDB ChEMBL
124872,COC1C=C(C2=CC[NH2+]CCCC2=O)CC1,0,GDB ChEMBL
187227,CC1C2C(=O)NC(C(=O)[O-])C3C2N3S1(=O)=O,0,GDB ChEMBL
800,C#CC(CCCC)C1CC2CCC(CO1)O2,0,GDB ChEMBL
349445,NS(=O)(=O)OC1CCOC1C(=O)[O-],1,GDB ChEMBL
194747,NC(=[NH2+])C1COC1CCC[NH3+],0,GDB ChEMBL
207353,C#CC1=CCN2C(=O)OC(C)C(C)C12,0,GDB ChEMBL
354361,COCC1C2C([NH3+])CC(CO)N12,0,GDB ChEMBL
284692,COC(=N)C(CO)c1cncc(N)n1,1,GDB ChEMBL
284315,C[NH+]1CCC(CO)=C(C#N)CC1C(C)(C)C,0,GDB ChEMBL
18669,CC(C)NC(=O)C1(C2CN2)COC1,0,GDB ChEMBL
119638,CCCC#CC([NH2+]CC)C1CCC1,0,GDB ChEMBL
357623,C#CC1CCC[NH2+]C1C(C)(C)CC,0,GDB ChEMBL
320308,NC(C[NH2+]CCO)C(O)(CO)CO,0,GDB ChEMBL
350667,CS(=O)(=O)NCC([NH3+])C1OC1CC1CC1,0,GDB ChEMBL
200997,CC([NH3+])C(C#N)C(=O)[O-],1,GDB ChEMBL
382114,CNCC1(C#N)NC(=N)C[NH+](C)CCOC1=O,0,GDB ChEMBL
186642,COC(=O)C(O)C(C[NH+]=C(N)N)NC=O,0,GDB ChEMBL
23944,C#CC1[NH2+]CC2(OC2CC)C1CCO,0,GDB ChEMBL
309847,CCCC1COCCOC2(C)C1C2(C)C,0,GDB ChEMBL
50269,CCC1CCCC([NH2+]C)C12CO2,0,GDB ChEMBL
172387,CCC1CCC2CC(C)CCCC1C21CC1,0,GDB ChEMBL
181725,CC(CCC(F)(F)F)CCC1(C)CCOCC1,0,GDB ChEMBL
321843,C#CC1([NH+](C)C)CC(CO)c2c(Cl)cccc21,0,GDB ChEMBL
395137,CC1NC(=O)C2CCOC12,1,GDB ChEMBL
11208,CCC[NH2+]C1CC(C)(C(N)=[NH2+])COC(C)C1N,0,GDB ChEMBL
351332,CC1([NH2+]CC(=O)[O-])C2NC(=O)OCC21O,0,GDB ChEMBL
244322,CC1(C(N)=O)C(C(=O)[O-])[NH2+]C2C(O)C21,0,GDB ChEMBL
245842,NC(=O)C1C2[NH2+]C(C(=O)[O-])C1(CO)C2N,0,GDB ChEMBL
152593,NC(=O)COS(=O)(=O)N1CCC1CO,0,GDB ChEMBL
26418,COCC(O)(C(=O)[O-])C1C(C)CCC1O,0,GDB ChEMBL
40928,CN(CC12C=CCC1N2)C(=O)C(C)(C)[NH3+],0,GDB ChEMBL
250626,CC1C=C2c3cc(Cl)ccc3CC2CC1,1,GDB ChEMBL
348825,COCC1C(c2ncc(C)o2)N1C,0,GDB ChEMBL
95602,CCCC1OC(C[NH2+]C)OC(C)C1O,0,GDB ChEMBL
194381,CCC#CC(C#N)(CC)CC(C)[NH2+]CC,0,GDB ChEMBL
117382,CC1[NH2+]C2C(=O)NCC(C(=O)[O-])C2(N)C1O,0,GDB ChEMBL
398818,NC1=[NH+]CC2C(O)C(N1)C(O)C2CO,0,GDB ChEMBL
277837,C#CCC(C)CCC(C)([NH2+]C)C1CCCCC1,0,GDB ChEMBL
261396,[NH3+]CC(O)C(=O)Nc1cc(CO)nnn1,0,GDB ChEMBL
21862,CC#CC1C2C(=O)CC1(C)C(O)C2CO,0,GDB ChEMBL
11390,COCC1OC(N)=[NH+]CC1N,0,GDB ChEMBL
45036,CC[NH+]1CCCCC1C1C2C=CC1C2,0,GDB ChEMBL
273668,CC([NH3+])CC12CC(CO)C(O)CC1N2C,0,GDB ChEMBL
165989,CN1CC2C([NH+]=C(N)N)C2(O)CC1C#N,0,GDB ChEMBL
116644,CCC12CC3CC3[NH+]1CC2OC,0,GDB ChEMBL
339228,C#CCOC1CCCC12C=CC(C)C2,0,GDB ChEMBL
354610,C#CC[NH+]=CN(CCC#N)C(C)c1cc[nH]c1,0,GDB ChEMBL
305837,C#CC1CC2CCc3cc(F)cc(F)c3C12,0,GDB ChEMBL
244630,CNC(=O)C1NC(=O)C2NC(=O)C1C2(C)O,0,GDB ChEMBL
82190,COCc1c(O)ccn1C(N)=O,1,GDB ChEMBL
87024,C=CC1C(CC)CC(C2CC2)C1O,0,GDB ChEMBL
241126,CCC1(C)CC2CC2C1CCCC(F)(F)F,0,GDB ChEMBL
195261,CC1(C)C2CC3[NH2+]CCC1C3C2,0,GDB ChEMBL
161956,CC(O)(C[NH3+])C1OCC(O)C1O,0,GDB ChEMBL
354093,NC1C[NH+]2CC(CO)CC3CNC(=[NH2+])OC1C32,0,GDB ChEMBL
40263,CCCC1C(=O)CC(=O)C1(C)CNC(C)=O,0,GDB ChEMBL
190412,C[NH2+]C1C(O)CC2C(C#N)CC1(N)C2C,0,GDB ChEMBL
155178,Clc1ccc(C2[NH2+]CCC3CC2C3)cc1,0,GDB ChEMBL
274859,COc1conc1CCO,1,GDB ChEMBL
179113,C[NH2+]C1C(O)C(O)C(=[NH2+])NCC1(O)CC(=O)[O-],0,GDB ChEMBL
3803,CC(O)C1N(C=O)C(=O)C(N)C1(C)C(N)=[NH2+],0,GDB ChEMBL
337975,NC(=[NH2+])NC1C(C(=O)[O-])OC2CC(O)C1C2=O,0,GDB ChEMBL
181412,O=C([O-])C1C(O)C2CCC13CN23,0,GDB ChEMBL
184936,CC1=CC2CC[NH2+]C(C)(CO)C2C1O,0,GDB ChEMBL
164641,C#CC([NH3+])(CC(C)CC)C1CCC(C(C)O)C1,0,GDB ChEMBL
44605,CC(O)C(C[NH3+])C1C2CN(CC#N)C(=O)N21,0,GDB ChEMBL
74285,CC1OC2CC[NH+](C)C2C2C(C[NH3+])C2C1C,0,GDB ChEMBL
26943,CC1=CC=C(CC2C[NH2+]C2)C(C)CC1,0,GDB ChEMBL
147228,CC(CO)[NH2+]CCNC(=[NH2+])OCC(N)=O,0,GDB ChEMBL
320773,CC1[NH2+]C(C(O)CCC[NH3+])C1N,0,GDB ChEMBL
278176,COc1cnccc(O)c(C(C)C[NH3+])c[nH]1,0,GDB ChEMBL
38616,CCc1cc(F)c(C(N)=[NH2+])c(=N)o1,0,GDB ChEMBL
291525,CCC1C(C)C(C)CCC1(C)CC,0,GDB ChEMBL
338978,N#CCC1CC(=[NH2+])NCC(=O)N1,0,GDB ChEMBL
194705,Cc1nc2cc(C(=O)C#N)ccc2s1,1,GDB ChEMBL
160980,CC1(C)COC(C)(CC[NH2+]C2CNC2=O)C1,0,GDB ChEMBL
87092,C1=CCC2(C=CC1)COC1CCC(CC1)C2,0,GDB ChEMBL
271380,C[NH2+]CC1OC(C(N)=[NH2+])(C(C)C[NH3+])C(O)C1O,0,GDB ChEMBL
131910,CCN1C(=O)[N-]S(=O)(=O)CC1C(=O)[O-],0,GDB ChEMBL
84901,C#CCC1C(C)(CCO)OC(CC)C1(O)C[NH3+],0,GDB ChEMBL
44586,O=C1C[NH2+]C(CCO)C12CCC2,0,GDB ChEMBL
346491,O=CNC(CO)C(O)(CO)C(=O)[O-],0,GDB ChEMBL
17291,CC1=CCC2(CCCC(CCC(C)C)C2)C1,1,GDB ChEMBL
309645,Clc1cncc(C2=CC3(CCC2)CCC3)c1,1,GDB ChEMBL
207332,C=CCCCC1CC1CC1CC1C,0,GDB ChEMBL
109622,CC(C)CC12CCC(C1)C1C[NH+]3CCCC3C12,0,GDB ChEMBL
2320,CC(=O)C1=C(C)CC2(CCCC1)COC2,0,GDB ChEMBL
362994,CCC(=O)C12CCCC(C)(C1)C(C)[NH+](C)C2,0,GDB ChEMBL
142948,CC(C)COC(C)C1CCC(O)(C(C)C)CC1,1,GDB ChEMBL
59694,CCC(C)C1CC(C[NH3+])C2CCC([NH2+]2)C1O,0,GDB ChEMBL
246789,O=COCCC1COC(=O)N1CCO,1,GDB ChEMBL
230242,CCCCC1CC([NH2+]C)C23CC2CCC[NH+]13,0,GDB ChEMBL
127233,N#Cc1ccc2nc3nccn3c2nc1O,0,GDB ChEMBL
236013,CCC1(C(C)O)C2C=CC1C(C)C2C,0,GDB ChEMBL
148726,CC(=O)NC(=O)C(C)(N)C(=O)OCC(=O)[O-],1,GDB ChEMBL
377290,NC(=[NH2+])NC1(C(=O)[O-])CC([NH3+])C2C(O)C21,0,GDB ChEMBL
280856,CNS(=O)(=O)C1C(O)C(O)CC(O)C1O,0,GDB ChEMBL
126604,CC(C)COCC#CC1CC1,1,GDB ChEMBL
361189,C[NH2+]CC1C2CCC1(O)CC(C(=O)C(C)C)C2,0,GDB ChEMBL
144547,C#CCn1cc(C)c(CC2(C[NH3+])CCOC2)c1,0,GDB ChEMBL
125620,CC1C[NH+]2CCC1NC1(CC3CC[NH2+]C1C3)C2,0,GDB ChEMBL
147441,CC(O)C(OC=O)C([NH3+])CC(=O)[O-],1,GDB ChEMBL
79339,Cc1cc(Br)c(=O)[nH]c1C(C)C,1,GDB ChEMBL
252615,NC(=O)C12C(=O)OC3CC(O)CC1C32O,0,GDB ChEMBL
110216,CC(=O)NC=NCC(=O)NCC#N,1,GDB ChEMBL
229448,C[NH2+]C(CO)C1CCC(O)C2OC12,0,GDB ChEMBL
230426,Cn1nc(COC=O)c([O-])c1NC(=O)CC#N,0,GDB ChEMBL
249578,CCNc1cnnn1C,1,GDB ChEMBL
305942,CCCC1CC=C(C)CC1C(C)[NH2+]C,0,GDB ChEMBL
203333,C[NH2+]C1C(O)CC(CO)C1C[NH3+],0,GDB ChEMBL
395635,C#CCC1C=CC(C(O)CC)C1,1,GDB ChEMBL
258248,CCC1([NH3+])CC(=O)NC(=N)N(C)CC1N,0,GDB ChEMBL
216168,CCCCN(C=[NH+]CC(C)(C)C)CCC(C)[NH3+],0,GDB ChEMBL
36190,CCn1nc(CC(N)=O)cc([N+](=O)[O-])c1=O,0,GDB ChEMBL
358145,CC12CNC(C(N)=O)C(OCC1=O)C2O,0,GDB ChEMBL
216517,COC(=O)C(O)C1(C)CC1C,1,GDB ChEMBL
383938,CC1COC(C)CNC(=O)C(N)S(=O)(=O)N1,0,GDB ChEMBL
202484,CC#CC(CC)(CC)C1CCCC(C)C1,0,GDB ChEMBL
358301,Cc1c(Cl)cc(C2OCCO2)c(C)c1C#N,1,GDB ChEMBL
27782,COC1C([NH3+])C2CC2(O)C(C(=O)[O-])C1O,0,GDB ChEMBL
204651,C#CCC1CC(C(C)CC(C)C)CCCCO1,0,GDB ChEMBL
307931,CCCCC1C(C)=CC=CC1CO,0,GDB ChEMBL
157358,CCC1=CC=C(CC)CC(O)C1,0,GDB ChEMBL
286271,CC(CO)C(=O)CCC1CC1,1,GDB ChEMBL
348847,CCC1OC2CC(NC(N)=O)C1NS2(=O)=O,0,GDB ChEMBL
334336,O=CC(O)CC(=O)OCCO,1,GDB ChEMBL
332352,CC(C)(O)C1(CO)CNC(=N)NC1=O,0,GDB ChEMBL
55553,CC1C2C[NH+](C1C)C(CN)C2O,0,GDB ChEMBL
26952,CCc1cc(Cl)c2c(n1)sc(=O)n2CC,1,GDB ChEMBL
169036,CC1CC2CC3C(CCCC3(C)C)CC2C[NH2+]1,0,GDB ChEMBL
24247,C#Cc1c(C)c(C)cc2cc(Cl)cc(Cl)c12,1,GDB ChEMBL
251830,O=C1C[NH+]=CNCC(CO)N1,0,GDB ChEMBL
87511,C#CCC([NH3+])C1CC(C)(CC)CC1CCO,0,GDB ChEMBL
289787,CCC1C(O)C(CO)NC2=[NH+]CC(C(=O)[O-])N21,0,GDB ChEMBL
250654,COC1CC(O)C2CC1C2(C)C,1,GDB ChEMBL
150489,CCCC1[NH2+]CCC12CC=CC2,0,GDB ChEMBL
118139,Cc1ccc(C2=CCC(C)C2)cc1C,1,GDB ChEMBL
189832,CCCC1=CC(O)CC1C(CCO)COC,0,GDB ChEMBL
362342,CC1CC(O)CC(C2CCC([NH3+])C2C)C1,0,GDB ChEMBL
191295,[NH3+]C1(c2noc(CCCC(=O)[O-])n2)CC1,0,GDB ChEMBL
130358,NC(=[NH2+])N(CCO)CC(=O)[N-]S(=O)(=O)CO,0,GDB ChEMBL
4742,CCCCC1C2C3COCC(C3C)C12,0,GDB ChEMBL
89388,C#CCC(CCC)(OC)C1CC(C)C(C[NH3+])C1,0,GDB ChEMBL
305974,CC1CC2=CC1[NH+](C)CCCC1(CC1)C2,0,GDB ChEMBL
115007,C#CC1(O)CC[NH2+]C1C(C)CC,0,GDB ChEMBL
255114,CC[NH+]=C(N)NC(C#N)C1CNC(=O)O1,0,GDB ChEMBL
193796,CCOCCc1cc(Cl)c(=O)[nH]n1,1,GDB ChEMBL
278110,O=C1C(O)CC2CC=C3CCCC3N12,0,GDB ChEMBL
387055,Cc1nc(O)c(S(=O)(=O)NCC(N)=O)n1C,1,GDB ChEMBL
252859,Cc1cc(N)cc(C(C)n2cnc(N)c2)c1F,1,GDB ChEMBL
359108,CC1(C=O)CC(CO)OC1=O,1,GDB ChEMBL
317183,CCC1(C)CC(=O)C2CC[NH+]2C1CCO,0,GDB ChEMBL
331499,CC1[NH2+]CC[NH2+]C(C)C2CC12,0,GDB ChEMBL
85709,CC(C)(C)CCCC#CC#CC1C[NH2+]C1,0,GDB ChEMBL
106601,CCC(=O)C(C)OC1C[NH+]=C(N)N(C)CC1C,0,GDB ChEMBL
148224,C#CC1C(C[NH3+])C=CCC1CC,0,GDB ChEMBL
227534,CCC1=CCOCCCC12CN(CC#N)C2,1,GDB ChEMBL
280677,N#CC(C(=O)[O-])C(O)(C[NH3+])CC#CCO,1,GDB ChEMBL
398799,[NH2+]=C1NC2C(CO)[NH2+]CC(C(=O)[O-])C(O)C2O1,0,GDB ChEMBL
148498,CC12CNC(N)=[NH+]C1(CO)C2C(O)C(=O)[O-],0,GDB ChEMBL
197479,C#Cc1c(C)c(C)cc(C)c1C(C)C(C)CC,1,GDB ChEMBL
44094,Cc1cc(C(C)C)ccc1O,1,GDB ChEMBL
300148,C[NH+]1CCC(=O)C2CCC(C)(O)CC21,0,GDB ChEMBL
84578,CCOC(CC(=O)CO)C(N)=O,1,GDB ChEMBL
185318,C[NH2+]C(C)C(C(O)CC(C)C)C(C)C(F)(F)F,0,GDB ChEMBL
50982,CCC(C)(C)[NH2+]C(C)C1CN(C=O)C(OC)=N1,0,GDB ChEMBL
71998,COC1C(O)COC2C(=O)NC(=N)C21,0,GDB ChEMBL
379836,CCC(C)CC12CC(O)CC1C2,1,GDB ChEMBL
298918,CCC1CC2CCC(C)=CCCCC2C1C,0,GDB ChEMBL
342356,CNC(=O)C(CC=O)OS(N)(=O)=O,1,GDB ChEMBL
353592,CCCC1(CC(C)C(C)CC)CCCCC1C,0,GDB ChEMBL
300453,COC(C(CC#N)C(N)=O)S(N)(=O)=O,0,GDB ChEMBL
348565,C#CC([NH2+]C)C1CCOC(=O)N1C,0,GDB ChEMBL
151181,CCCC(C[NH+]=C(C)N)C(C)(C)C(C)[NH2+]C,0,GDB ChEMBL
65930,CC(C(=O)[O-])C1(C(C=O)C(N)=[NH2+])CO1,0,GDB ChEMBL
296629,CC1C[NH2+]C2CC1OC1(C2)CN(C)C1,0,GDB ChEMBL
38777,N#Cc1cc(F)c2c(c1)C(N)=[NH+]CC2,0,GDB ChEMBL
313357,CC1NC(C[NH3+])C(N)(C#N)C1C(O)C(N)=O,0,GDB ChEMBL
188473,CC(C)C1CC2(C=CCCCC2)CC1O,0,GDB ChEMBL
148748,NC(=[NH2+])C(CC1CC1)[NH+]=C(N)CCC(=O)[O-],0,GDB ChEMBL
148731,CCC12CCOC(CNC(C#N)CC1)C2CO,0,GDB ChEMBL
390075,Cn1ccc(NC(=O)CNC=O)c1N,1,GDB ChEMBL
273966,Cc1c(Cl)cccc1C1=CC=CCC=C1,1,GDB ChEMBL
222082,CC(C)C1C2CCC3(C)C2C=CC13,0,GDB ChEMBL
275542,C#CC#CCC(O)CC[NH2+]C,0,GDB ChEMBL
367830,CC1[NH2+]C2C3CN(CC13)C2CC[NH3+],0,GDB ChEMBL
322904,OCC[NH2+]Cc1ccnc(F)c1,1,GDB ChEMBL
317752,CCC(CO)NC(C[NH3+])(CO)C1=CCOC1,0,GDB ChEMBL
339988,C#CCC1[NH+]2C(C)CCC2C(C#N)CC1(C)O,0,GDB ChEMBL
156035,CC#CCCC(C)(C)CC=CCC,1,GDB ChEMBL
359063,CC1C(=NO)C2CC1OCC[NH2+]2,0,GDB ChEMBL
330892,CCC(C(=O)OC)C(N)C1NC(=[NH2+])C(O)C1O,0,GDB ChEMBL
190434,CCC1Cc2nccc(F)c2C12CC2,1,GDB ChEMBL
98665,CCOC(=O)COCCc1ccn[nH]1,1,GDB ChEMBL
248908,CC(CS(N)(=O)=O)C1[NH2+]CC(C(N)=O)C1N,0,GDB ChEMBL
109740,Cc1cccc(=O)cc1CC(C#N)C#N,1,GDB ChEMBL
136026,Cc1cc(Cl)cc2c1C(C1CC1)[NH2+]C2,0,GDB ChEMBL
242666,N=CN(C=[NH2+])C1COc2c(Cl)cccc2C1N,0,GDB ChEMBL
43934,NCC(=O)OCCOC(C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
324007,Clc1ncccc1C1(C2CC2)CCO1,1,GDB ChEMBL
355408,CCCCCC1(CC)C2C=C(C)CC21,1,GDB ChEMBL
273985,CCCOC(C)CC=O,1,GDB ChEMBL
334625,CNc1c(OC(C)=O)cn2c1CCC2=O,1,GDB ChEMBL
269203,C#CCCCCC(C)OC(C#C)CO,1,GDB ChEMBL
233922,N#CC1(C(=O)[O-])C(C(N)=O)N1C(N)=[NH2+],0,GDB ChEMBL
235184,C=CCC(CC)C(C)=CC1(C)CC1,0,GDB ChEMBL
311312,COCC1(NC=O)C[NH2+]C(CC(C)(C)C[NH3+])C1,0,GDB ChEMBL
350260,CCC(C)C1C(=[NH2+])N2CC(O)CC12,0,GDB ChEMBL
325215,CC(=O)CC1C2CCCC[NH+]1CC21OC1C,0,GDB ChEMBL
202047,CC[NH2+]CCC1OC(OC)CCC1([NH3+])CC#N,0,GDB ChEMBL
16717,N#CC1CC([NH3+])C(O)(C(N)=O)C1,0,GDB ChEMBL
25173,CCCC1(C)C2C=CC1C(C)C(C)C2,0,GDB ChEMBL
353533,COC(C=O)C[NH2+]C(C)C,1,GDB ChEMBL
150145,CCOC(C)(C[NH3+])C(C)(C)C,0,GDB ChEMBL
147437,CCOC1(CS(C)(=O)=O)C(=[NH2+])NCC1O,0,GDB ChEMBL
177296,CC1(O)C(=O)CC(O)C1(C)CO,0,GDB ChEMBL
34865,NC(=O)C(N)C12CC(C1)NS2(=O)=O,0,GDB ChEMBL
83490,CCC(C)[NH+]1CC2CC=CC1C1CC21,0,GDB ChEMBL
44330,CC1=CC2(C=CCCC1)C[NH2+]C2,0,GDB ChEMBL
207413,CCc1cnc(Cl)cc1O,1,GDB ChEMBL
363272,Nc1nc(CO)c(O)c(S(N)(=O)=O)n1,0,GDB ChEMBL
301381,CNC(Nc1ncnc(N)n1)=[NH+]C,0,GDB ChEMBL
34354,COC(CO)C([NH3+])CS(=O)(=O)[O-],1,GDB ChEMBL
152535,C[NH2+]CCC1CCS(=O)(=O)N(C)C1,0,GDB ChEMBL
29943,CC[NH2+]C(C(=O)[O-])C(C)(CO)OC,1,GDB ChEMBL
344373,C#CC1c2ccc(Br)cc2CC(C)C1CCC,0,GDB ChEMBL
20781,CC1=C2CCCC2(CC[NH3+])COC(=O)C1,0,GDB ChEMBL
132272,CC1CCC2(C)C(C)CCC2C1CC(C)(C)C,0,GDB ChEMBL
277836,C[NH2+]C1C2CCC(C)C(CO)CC21,0,GDB ChEMBL
292731,CC1C(O)C2CCC3C(=O)CC[NH+]1C32,0,GDB ChEMBL
398729,C#CCC(CC)(C[NH3+])Cc1[nH]ccc1C,0,GDB ChEMBL
149385,[NH3+]C1COC2C3CNC(=O)C3S(=O)(=O)NC12,0,GDB ChEMBL
113602,CCOCCNCC(=O)C(C#N)(C#N)N(C)C,1,GDB ChEMBL
208266,C[NH2+]CCC1C2NC(=O)NC1(CO)C(=O)C2O,0,GDB ChEMBL
48773,CC=CC#CC#CCC(N)C[NH2+]C,0,GDB ChEMBL
254857,CN(C)C(=[NH2+])C(CCO)NC1CC1,0,GDB ChEMBL
203788,CC1CC(=N)OC(=O)C(C(CO)C(N)=[NH2+])N1,0,GDB ChEMBL
34871,CC([NH3+])COCC1C=CCC1C,0,GDB ChEMBL
193211,CCCC(Cc1cscc1CC)OC,1,GDB ChEMBL
339056,CC1(C)OC(CO)C1C([NH3+])C(=O)[O-],0,GDB ChEMBL
218304,C[NH+]=C(CN)NC1=[NH+]C(C(=O)[O-])CCN1,0,GDB ChEMBL
19607,NC(=[NH2+])CC([NH3+])C1CC1,0,GDB ChEMBL
227900,CC(O)C1(CS(N)(=O)=O)CC[NH2+]C1,0,GDB ChEMBL
47226,CC(NC(N)=O)C([NH3+])C(O)C(N)=O,0,GDB ChEMBL
374384,NCC(NC(N)=[NH2+])C(O)C(O)C(N)=O,0,GDB ChEMBL
34355,CC1CC2CN1C(=O)C([NH3+])C1(O)CN=C2OC1,0,GDB ChEMBL
147930,Cc1c(Br)cc2c3c1CCCC(C)CC3CC2,0,GDB ChEMBL
111565,NC(=O)C1(C(=O)[O-])Cc2ncc(O)c(O)c2C1,0,GDB ChEMBL
41038,CC1=CCCC=CC([NH+](C)C)C=CCCC1,0,GDB ChEMBL
229414,CC1=C(CC(C)O)CCN1C=O,0,GDB ChEMBL
335458,C#CC[NH+]1CC2C(C1)C2C1C=CCC1,0,GDB ChEMBL
114388,COc1[nH]nc(C(C)OC)c1OCC1CC1,0,GDB ChEMBL
280285,CC(N)=[NH+]CCCOCCC[NH3+],0,GDB ChEMBL
103540,COC1CC1N(C)c1ccc(C)n1CC#N,0,GDB ChEMBL
53327,CCC(C)C1CC2CCCC1[NH+]2C(C)CC,0,GDB ChEMBL
352713,O=C1NCCC2COC1C1OC21,0,GDB ChEMBL
126875,COC(C)C[NH+]=C(C)N1CC1,0,GDB ChEMBL
38512,CN(CC1C(=O)[N-]S(=O)(=O)C2CC12)C(N)=[NH2+],0,GDB ChEMBL
349506,CC1CC(C)[NH+](C(C)(C)C2CC2)C1,0,GDB ChEMBL
102168,CCC[NH2+]CC1CC(C)C2NC12,0,GDB ChEMBL
150147,CNC(=O)N1C(CC#N)C1(C)CC(N)=[NH2+],0,GDB ChEMBL
254223,CCC(CO)CC(C)=C1C[NH2+]C1C,0,GDB ChEMBL
303913,C[NH+]1CC=C(C=O)CCC1,0,GDB ChEMBL
372088,C#CCC1C=CC=CC=CCC1CC,0,GDB ChEMBL
194422,CCC(C)C1C(C)[NH2+]CC1(C)C(CC)CC,0,GDB ChEMBL
59564,CCC1CCCC2C[NH2+]C2CC(C#N)C[NH2+]1,0,GDB ChEMBL
257512,C#CCCC(C[NH3+])C(C)C(CC)CC,0,GDB ChEMBL
236611,C[NH+]1CC2=CCNC(=O)CNC2(C)C1,0,GDB ChEMBL
285747,CCC(=[NH2+])NCCC(=O)NC1(CO)CC1C,1,GDB ChEMBL
200950,CCCCC12CC=CCC(C1)C1CC[NH2+]C12,0,GDB ChEMBL
194512,O=C1NCC2CC([NH2+]2)C(O)C(O)C1O,0,GDB ChEMBL
388286,CC(O)C[NH+]1CC2CC([NH3+])C([NH3+])CC2C1,0,GDB ChEMBL
215313,CC(CO)OC(C)CC1CC[NH2+]1,0,GDB ChEMBL
387240,C#CCC[NH2+]CC1NC2C(CC)C2CC1O,0,GDB ChEMBL
362608,N=C1OC(=O)NCCC(O)C1NC(N)=O,0,GDB ChEMBL
73842,C[NH2+]C1CC(CO)S(=O)(=O)NCC1O,0,GDB ChEMBL
171300,CC(=O)OCCCC(C)=NO,1,GDB ChEMBL
361604,CCOc1c(N)ccc(C[NH3+])c1Br,1,GDB ChEMBL
13820,CC#CCC1=CC(COC(C)=O)CCC1,0,GDB ChEMBL
201344,CCOC(C)CC1CC=CC2CC(C)CC21,0,GDB ChEMBL
298971,O=C1CC(O)C(O)C2=CC(CC2=O)O1,0,GDB ChEMBL
70985,COC(=O)C(Nc1ncc[nH]1)C(=O)[O-],1,GDB ChEMBL
171860,CCn1c([O-])nc(C2CN2C)c(C[NH3+])c1=O,0,GDB ChEMBL
73802,CC1CCCCC1(C)C(C)CC1CCCCC1,0,GDB ChEMBL
22868,CC1C[NH2+]C(C2CC3CCCC2C3)C1,0,GDB ChEMBL
348578,CCC1(C(=O)[O-])C2CC(C)(CO2)[NH+]1C,0,GDB ChEMBL
235904,CC(C)C([NH3+])CC1=CCC[NH2+]C1,0,GDB ChEMBL
209872,OCCOc1cc(I)ncn1,1,GDB ChEMBL
207940,C[NH2+]C1C(C)CC([NH3+])C2N(C=O)CC12C#N,0,GDB ChEMBL
111531,CCC1([NH2+]Cc2c(O)cc(C)cc2Br)CC1,0,GDB ChEMBL
383679,C[NH2+]C1CC(N)(C(C)([NH3+])C(=O)N(C)C)C1,0,GDB ChEMBL
47686,C[NH2+]C1C2CCC1(NC(C)=[NH2+])CN(C)C2=O,0,GDB ChEMBL
87004,CCC1CCC(C)(CC[NH2+]C)[NH2+]CC1(C)C=O,0,GDB ChEMBL
170111,NC(=O)C1N=C(N)OC(CCO)C2NC12,0,GDB ChEMBL
382187,Cc1c2c(n(C)c1C(C)(C)C([NH3+])CO)CCC2,0,GDB ChEMBL
104361,CCC1CC2C([NH2+]C)C2(C)N1CC(C)O,0,GDB ChEMBL
263861,CCC(C)OCC(C)(C)CC,1,GDB ChEMBL
347857,CC1(O)COC2=NC(CC(=O)[O-])C(=O)OC21,0,GDB ChEMBL
127858,COC(=O)C(O)C(N)C(N)C#N,1,GDB ChEMBL
41606,NC(=O)N(CCO)CC(O)Cc1ncc([O-])s1,0,GDB ChEMBL
269327,CN=COC(CO)C(=O)CCNC(N)=O,0,GDB ChEMBL
21907,CCC(CC)c1cc2c(cc1C)C(=[NH2+])N(C)C2,0,GDB ChEMBL
157044,NC1C([NH3+])C1C(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
244516,[NH3+]CCCCCC1CC2CC1C2[NH3+],0,GDB ChEMBL
290557,N#CC(NC(=O)OCC[NH3+])C(O)C(N)=[NH2+],0,GDB ChEMBL
118448,NC(=O)C(NC=O)C1NS(=O)(=O)CC1CO,0,GDB ChEMBL
61843,CC1CN2CC2(C)C(=O)N1,0,GDB ChEMBL
234473,C#CCCC(O)C(CC(N)=O)C(O)C#N,0,GDB ChEMBL
379699,COC1(C)CC(O)C(C=O)C2C1C[NH+]2C,0,GDB ChEMBL
339062,CCC(C)CCC(C(=O)C(C)C)C1CCCC1,1,GDB ChEMBL
104379,CCC([NH3+])C1COCC1C,0,GDB ChEMBL
98885,CCC(OC1COC1)C(NC)C(N)=[NH2+],0,GDB ChEMBL
390536,C#CCC(C)CC(C#CC)C1CCCCC1,0,GDB ChEMBL
21484,CC1C=CC2CC1CCC=CC[NH+]2C1CC1,0,GDB ChEMBL
217344,N#CC[NH+]=C(N)C(CO)C(N)C[NH3+],0,GDB ChEMBL
174805,CC12CN(S(C)(=O)=O)C(C([NH3+])CO)C1C2O,0,GDB ChEMBL
282252,O=C1NC2C3CCOC(C[NH2+]3)C2O1,0,GDB ChEMBL
352652,CC[NH+]=CN1CC(NCCNC(C)=O)C1,0,GDB ChEMBL
79303,CC1CC[NH2+]CC(C)(C)O1,0,GDB ChEMBL
77793,C#CC(N)(CO)C[NH+](C)C,0,GDB ChEMBL
355039,CC(O)C([NH3+])C1NCCC2CC[NH+](C)C21C,0,GDB ChEMBL
23445,CCC1CCOC(C)C(C)C2C(O)C[NH+](C)C12,0,GDB ChEMBL
310127,CC1CC2C(=O)NCC23CC13,0,GDB ChEMBL
232153,C#CC1CCCCC(OC)C1,1,GDB ChEMBL
134802,CC(O)C1CCC2C(C)N2CC[NH2+]C1,0,GDB ChEMBL
347985,COC1C2COC1C(C(N)=O)C2O,0,GDB ChEMBL
214868,COCC1C2C(OC)CC(C)N12,0,GDB ChEMBL
69621,CN1CC(C=O)OCC1C#N,1,GDB ChEMBL
331130,N#CC(O)COC(C[NH3+])C(N)=O,1,GDB ChEMBL
180967,C#CCNC(C(N)=O)C1CN1CCC,1,GDB ChEMBL
317726,CCC(C)C1CC2CCCCC(C)(C1)C2(C)C,0,GDB ChEMBL
174890,NC(=O)COCCC(O)c1n[nH]c(=O)cc1[O-],0,GDB ChEMBL
111509,Cc1ncc(C#N)sccnc1N,0,GDB ChEMBL
136667,CCc1cc(F)nc(C(=O)C(F)(F)F)c1F,1,GDB ChEMBL
337061,CC1C(=O)OCOC1(C)CO,1,GDB ChEMBL
183485,N#CC1N(C=O)C12CCNC(=O)C2,0,GDB ChEMBL
136466,C=C(CC)C(=C)CCCC=CCC,1,GDB ChEMBL
148957,N#CCNC1CCOC1,1,GDB ChEMBL
230432,OC1CCCC[NH2+]CC2=CC[NH+](CC2)CC1,0,GDB ChEMBL
337206,C#CC1C([NH2+]C)CC(O)C1C(CO)C(C)C[NH3+],0,GDB ChEMBL
312197,CC[NH+]1CCC2C(C)C1C1(N)CC21,0,GDB ChEMBL
353959,[NH3+]C1C=C2CCC2CNc2c(Cl)cccc21,0,GDB ChEMBL
256161,CC1=C2CCC=C2c2cccc(Cl)c2C1=O,1,GDB ChEMBL
152586,CCC[NH2+]C1(CO)CCC1NC,0,GDB ChEMBL
396139,CC1C(O)C2[NH+]=C(N)CC1C2CCO,0,GDB ChEMBL
29766,O=C1OCC(O)C2CC[NH2+]CC23OC13,0,GDB ChEMBL
4745,CC[NH+]1CC=C(C2=C(C)C(=O)OC2)C1,0,GDB ChEMBL
174311,C[NH2+]Cc1c(OC)cc(C(=O)[O-])n1C,1,GDB ChEMBL
116609,CN(C1CC1)C(CO)C(N)=[NH2+],0,GDB ChEMBL
33857,COC1CC(=[NH2+])NC1C(CS(=O)(=O)[O-])C(C)O,0,GDB ChEMBL
137072,CC[NH+]1Cc2occc2C2C(CCC#N)C21,0,GDB ChEMBL
61563,CC(C)C(CO)c1nccc(I)c1CO,1,GDB ChEMBL
39937,CC#Cc1ncc(C#CC(C)C)cc1Br,1,GDB ChEMBL
273674,CC(C[NH3+])C1C2C(CC(N)=O)OCC12C,0,GDB ChEMBL
274404,C[NH2+]C1CC2C(=O)NCC(C)(C)OC12,0,GDB ChEMBL
377971,C#CC1(OC)CCCC(C(C)[NH3+])C1CC,0,GDB ChEMBL
365724,CCC(O)C(C)(C)Cc1noc(C)c1N,1,GDB ChEMBL
363231,CNC(=O)CC(=O)OCS(N)(=O)=O,1,GDB ChEMBL
362685,CNC(=O)Cc1c[nH+]ccc1N,1,GDB ChEMBL
367594,CC1C2CC(CO)C(O)CNC(=O)C12,0,GDB ChEMBL
120662,CC1=CCC2(C)CC3CC[NH+](C3)CC2C1,0,GDB ChEMBL
223541,CC(=N)OCc1ccc(N)c(N)c1,1,GDB ChEMBL
273672,C#CC1C(CC)CC(CC)C1(C)CCC,0,GDB ChEMBL
48058,CCC(C(=O)OC)C(O)C([NH3+])c1ncsc1N,0,GDB ChEMBL
190378,COCC1C[NH2+]C2CC[NH+](C)C1C2,0,GDB ChEMBL
260132,C#CC(O)C1CC([NH+](C)C)CCC(=O)O1,0,GDB ChEMBL
3954,C#CC1c2c(F)cccc2CC2CC21,1,GDB ChEMBL
150528,CC(=O)C(C)(CC(N)=O)CC1CC1C#N,0,GDB ChEMBL
165604,CC12CC(CO)(C(O)COC1=O)C(O)C2C[NH3+],0,GDB ChEMBL
378270,CC(C)(O)CC([NH3+])C1COC1C[NH3+],0,GDB ChEMBL
318113,CCC([NH3+])CC(C[NH3+])(C(C)C)C1CC1,0,GDB ChEMBL
361018,Cc1ccc[nH]c(C)c2c(c1)CC(C)(C[NH3+])C2,0,GDB ChEMBL
41297,CC(C)CC1CCC2(CC(C)CC(C)C2)C1,0,GDB ChEMBL
348442,NC(=O)NC1CC(O)C[NH+]=C(N)C1N,0,GDB ChEMBL
174291,CC1[NH2+]C2COC(C)(C(C[NH3+])C2)C1CO,0,GDB ChEMBL
267936,C=C1CNC(=O)C(CC)(CC)C1[NH3+],0,GDB ChEMBL
312210,C#CCCC(C(=O)[O-])=C(C)C1CO1,0,GDB ChEMBL
40346,CCC1C2C(=CC(C)CC2C2CC2)C[NH+]1C,0,GDB ChEMBL
38614,CCCC1CCN2C(C)C3(CCC[NH2+]3)C2C1,0,GDB ChEMBL
338968,N#CC1C(OCC(N)=O)C(O)C2CN12,0,GDB ChEMBL
385934,CC1OC(C#N)C(O)C(C(N)=[NH2+])NC(=O)C1[NH3+],0,GDB ChEMBL
99651,CC[NH2+]C1C(C)C(C)C(C)(CO)C1(O)C(N)=O,0,GDB ChEMBL
251476,CNC(=O)C(c1cccc(Cl)c1)C1C[NH2+]C1,1,GDB ChEMBL
116421,CC1OCC([NH2+]CCO)C1O,0,GDB ChEMBL
146025,CCOC(=O)[C-](OC=O)C(=O)OC,0,GDB ChEMBL
25239,NC(N)=[NH+]CC1Cn2cc(C=O)nc2CCO1,0,GDB ChEMBL
140856,NC(=[NH2+])C12C(O)CCC1(C=O)C[NH2+]C2C(N)=O,0,GDB ChEMBL
363262,CCC(C)(CC)C1=CCCCOC1C1CC1,1,GDB ChEMBL
257499,CC(O)CCC1CC2CC2CCC1[NH3+],0,GDB ChEMBL
44669,CC=C(COC)c1ccccc1Cl,1,GDB ChEMBL
7813,CCOC(C[NH3+])CCC(N)(C#N)C#N,0,GDB ChEMBL
375444,Cc1cc(F)c2c(c1)OC(=O)CNC2,1,GDB ChEMBL
358573,CCCc1cc(C2CC2)c(CCC)c(F)n1,1,GDB ChEMBL
337970,CCC(=N)Nc1nccs1,1,GDB ChEMBL
22863,NC(=[NH2+])N1CC(=O)C2CC21,0,GDB ChEMBL
152001,C[NH2+]CC1(O)CC2C(C)C1(C[NH3+])C2C,0,GDB ChEMBL
255474,CCOCC1(C[NH3+])CC(CO)(OC)CC1(C)O,0,GDB ChEMBL
150163,COCCCOC1(C(C#N)=N[O-])C(O)C1O,0,GDB ChEMBL
23450,CC1[NH2+]C2(CCCCC2)c2ccsc21,0,GDB ChEMBL
243378,COc1cc(F)cc2c1CCCNS2(=O)=O,1,GDB ChEMBL
298209,N#CC1(N)C(O)C(=O)[N-]C1C(O)CO,0,GDB ChEMBL
124860,CCC1C(C[NH3+])C(=O)NC(C(C)O)C1O,0,GDB ChEMBL
190452,CC1CC(O)C(O)C([NH3+])CCO1,0,GDB ChEMBL
196500,CNc1c(C#N)nc(N)c2c(=O)[nH]cnc12,1,GDB ChEMBL
288955,CCCC1C2CCC(CC3CC31)[NH2+]2,0,GDB ChEMBL
33321,C[NH2+]C1CC2OC1(C(=O)[O-])C(C)C2[NH3+],0,GDB ChEMBL
394372,Cc1n[nH]c2c1CC1CCC3OCC3N1C2,0,GDB ChEMBL
130232,C[NH2+]CC1C(O)CC([NH3+])C2(C)C1C2(C)C,0,GDB ChEMBL
201060,CNc1cc(C(=O)[O-])c(C)s1,0,GDB ChEMBL
152591,NC1C([NH3+])C1(N)C(O)C([NH3+])CC(=O)[O-],0,GDB ChEMBL
175874,CCCCCc1ccsc1N,1,GDB ChEMBL
65584,CCCC(C(C)C[NH3+])n1ccnc1,0,GDB ChEMBL
102308,CCC(CO)C1CCC=C1CC=O,0,GDB ChEMBL
284340,CC(Nc1c(Cl)n(C)cnc1=N)C(=O)[O-],1,GDB ChEMBL
126851,C[NH2+]CCCS(=O)(=O)NC(=N)C(=O)[O-],1,GDB ChEMBL
298049,NCC[NH2+]CC1OCC2([NH3+])CC([NH3+])C1C2,0,GDB ChEMBL
23604,COCC1(C#N)CC[NH2+]C1C(C)CC=NO,0,GDB ChEMBL
191292,CC[NH2+]C(C)(C=O)C(CO)OC,0,GDB ChEMBL
31066,CC([NH3+])CC(C)C([NH3+])CC[NH2+]CCCCCO,0,GDB ChEMBL
82124,CCC=CCCCCC=CCCC,1,GDB ChEMBL
380557,C#Cc1cc2c(c(Cl)n1)NCC[NH2+]C21CC1,0,GDB ChEMBL
301173,CC([NH3+])C(O)C(O)C(C(=O)[O-])C1CNC(=[NH2+])O1,0,GDB ChEMBL
249454,CC1[NH+](C)CCC(O)C(C)(C)C1(O)CO,0,GDB ChEMBL
379402,CC=CC(C)CC1(CC(C)C)CC1,0,GDB ChEMBL
277894,Cn1nc2nc1CCCCCn1cncc1-2,1,GDB ChEMBL
263427,Cc1cc(F)ccc1C1(C)C[NH+]=C(N)C1,0,GDB ChEMBL
381479,CC(C)([NH3+])CCCC1(O)C[NH2+]CC(O)C1,0,GDB ChEMBL
371719,CC1([NH3+])C(N)C2C(=O)NC(CO)C1OC2=O,0,GDB ChEMBL
76413,CCCC(C)C1=CCC(C)C12CC2,1,GDB ChEMBL
112658,CC1CC23CCCC2(CCC3)C1,1,GDB ChEMBL
312573,CCC1[NH2+]C2CCC(C2)C1C,0,GDB ChEMBL
218830,N#CC1OC(=O)C(C(=O)[O-])C1(N)C[NH3+],0,GDB ChEMBL
313737,CCCC1(CCC)CCCCCCC(C)C1C,0,GDB ChEMBL
243366,Cc1coc2c3c(c(Cl)cc12)NCC=CC3,1,GDB ChEMBL
155824,C#CC1C(=O)NC(=O)C(CS(N)(=O)=O)C1O,0,GDB ChEMBL
61952,CN(C)C(=O)C1CCNC(C(C)(C)O)=N1,0,GDB ChEMBL
194447,NC(=O)C([NH3+])C1OC2CCC2C1O,1,GDB ChEMBL
259368,O=C1NCCOC(CO)C(O)C2OC2C1O,0,GDB ChEMBL
304426,NS(=O)(=O)CC1NC2C(=O)C1NCC2O,0,GDB ChEMBL
152634,CCC([NH2+]C)C1(O)C2CCCCC1C(C)[NH2+]2,0,GDB ChEMBL
102120,C=CCCC(C)=C(C)CC(F)(F)F,1,GDB ChEMBL
356872,COC1CC1C(C(=O)NC(C)=O)C(C)O,0,GDB ChEMBL
337814,NC(=[NH2+])NC(CO)CC1C(=[NH2+])NCC1O,0,GDB ChEMBL
99413,[NH3+]C1CC[NH2+]CC1OC=O,0,GDB ChEMBL
115022,CC1NC(N)=[NH+]CC1(O)C([NH3+])C(O)C(=O)[O-],0,GDB ChEMBL
398947,CC(C)Cc1nc(=O)ccc2[nH]cnc12,0,GDB ChEMBL
302437,CC1=C(C(C)C#N)CCC1=O,0,GDB ChEMBL
234977,COC1C(C)CC2C=CCC1C(CO)CC2,0,GDB ChEMBL
397037,C[NH+]1CCCC(=O)OC(C2OCOC2=N)C1,0,GDB ChEMBL
311358,CC1(C2CCOC2)OC1C[NH3+],0,GDB ChEMBL
179343,C[NH+]1CC(C2CCC2)CC(C)(C)C1CN,0,GDB ChEMBL
140275,[NH3+]C1CC2OCC1NC2=O,0,GDB ChEMBL
163385,CC1c2nsc(NCC(N)=O)c2CN1C=O,0,GDB ChEMBL
38707,CCC(C)[NH+]=C(N)COC(C)=O,0,GDB ChEMBL
281971,CNc1cc(Br)c(C)nc1NC,1,GDB ChEMBL
67401,COCC([NH3+])C(C)(O)COS(N)(=O)=O,0,GDB ChEMBL
250633,N#CC(N)=NCc1cc(Br)ccc1CCC[NH3+],0,GDB ChEMBL
397975,CC1CC=C(C[NH2+]CC(=O)C(C)(C)C)CC1,1,GDB ChEMBL
10989,CS(=O)(=O)NC(=N)Cn1ccnn1,1,GDB ChEMBL
288175,CC(=O)c1ccc(O)cc1O,1,GDB ChEMBL
296372,C#CC1(C2([NH3+])CC2)CNC(=O)C1[NH2+]C,0,GDB ChEMBL
157043,CC(CC[NH3+])C12NC(=N)OCC1(O)C2O,0,GDB ChEMBL
39801,CC(C=O)C1(C)CCOC1CCO,0,GDB ChEMBL
365737,CCCC1CC(C(=N[O-])C(N)=O)NC(=[NH2+])O1,0,GDB ChEMBL
254241,CCCc1cc(=N)oc(C)c1C(=O)CC,0,GDB ChEMBL
221675,CCC1(C(F)(F)F)C2CCCC1CC(C)CC2,0,GDB ChEMBL
393545,C#CC1CC2OCc3c(Cl)cccc3C2C1,0,GDB ChEMBL
325862,C[NH2+]CC1CCCNc2sc(C)nc2N1,0,GDB ChEMBL
141863,CCC(C1C(=O)NCC1C(O)C#N)N(C)C=[NH2+],0,GDB ChEMBL
292512,CCOCC1C(CC)=CCCOC1C,0,GDB ChEMBL
114758,CC=C1CN2C(=O)C([NH3+])C3CC32C1,0,GDB ChEMBL
146084,CC#CCC(CC)CCCCC,1,GDB ChEMBL
300692,CC(=O)C1CCC2CC(C)C1C2,1,GDB ChEMBL
389347,C[NH2+]CCC(C=O)N(C)CC(C)C=O,0,GDB ChEMBL
285777,CC1(C)CC2CC3[NH2+]C(CC31)C2O,0,GDB ChEMBL
149968,CS(=O)(=O)COCC(=O)NC(=N)N,1,GDB ChEMBL
76049,CCOC1CC2(CCN(CC[NH3+])C2=O)C1,0,GDB ChEMBL
121720,[NH3+]C1C2NS(=O)(=O)C1C2CC(O)C(=O)[O-],0,GDB ChEMBL
81484,CC(C1C=CCCCC1)C(C)C1CC1,0,GDB ChEMBL
236754,C#CCC1OC(=N)CNC(=O)CC1CC,0,GDB ChEMBL
307864,NC(=O)C(=O)N1CCC(C=O)NCC(O)C1=O,1,GDB ChEMBL
20762,CCC(=O)NC1CNC(C(C)[NH3+])CNC1CO,0,GDB ChEMBL
114754,CC(C)CC1CC(C)CCC1(C)C(C)C,1,GDB ChEMBL
377313,NC(=[NH2+])NC1C(N)C12CNC(=O)OC2,0,GDB ChEMBL
363516,CCCC1(C)CC2CC1C(C)CCC2(C)CC,0,GDB ChEMBL
333118,NC(=O)C#CC(O)CCO,1,GDB ChEMBL
355809,CCC1C(=NO)C(C(=O)[N-]S(=O)(=O)CC)C1O,0,GDB ChEMBL
203467,CCN=C1OC2C3C(=O)NC1C23CO,0,GDB ChEMBL
23477,CC(O)C1NC(=O)NC(C=O)C1S(C)(=O)=O,0,GDB ChEMBL
216194,CC#CCC(=O)N(C)C(=NCC)S(C)(=O)=O,1,GDB ChEMBL
216577,COC(=O)C(C)(C#CCS(N)(=O)=O)C(N)=[NH2+],0,GDB ChEMBL
119876,CN=C(NC(C)=[NH2+])N(CC#N)CC(=O)CO,0,GDB ChEMBL
292235,N=C(N1CCC1C(N)=O)S(N)(=O)=O,1,GDB ChEMBL
341326,CCOc1c(O)cc(NC(N)=[NH2+])n1C,0,GDB ChEMBL
283945,CS(=O)(=O)NCC#CC1CC1,1,GDB ChEMBL
21533,CC(=O)N1C(=N)NCC(CN)(CN)N=C1N,0,GDB ChEMBL
273634,NC(=O)NC(=O)c1c[nH]c(=O)c(Cl)n1,1,GDB ChEMBL
338355,CCCC(CC(C)C)C(CO)C[NH2+]C,0,GDB ChEMBL
330104,CNC1C(C(=O)OC)C1(O)C#N,0,GDB ChEMBL
42564,COCC12CC(C[NH3+])CC(C)(C1)NC=[NH+]2,0,GDB ChEMBL
203827,O=C([O-])CC1CN=C(S(=O)(=O)[O-])N1,0,GDB ChEMBL
244609,CC1[NH2+]C(C(=O)[O-])C(N)(C(N)=O)C1N,0,GDB ChEMBL
48183,C[NH2+]CC1=C(C)CC(COCC(C)C)C1,0,GDB ChEMBL
396750,CCC1(C(F)(F)F)CCC1CC(C)(C)O,0,GDB ChEMBL
127629,C#CCC1=CC(C)(CCCCC)C(C)C1,0,GDB ChEMBL
374064,C#CCC(C)OCC(C)[NH3+],1,GDB ChEMBL
306270,C#Cc1ccc2c(c1)C=CC(CO)O2,1,GDB ChEMBL
383909,CC#Cc1cc(F)cc(C(=[NH2+])N(C)C)n1,0,GDB ChEMBL
277933,C#CC[NH2+]CC(O)c1c(C#N)n[nH]c1N,0,GDB ChEMBL
176547,NC1=[NH+]C(C(=O)[O-])C(O)C(O)CC1,0,GDB ChEMBL
118360,CC1C(O)CCC2OCCC2(C)C1C,0,GDB ChEMBL
38174,CCCC(C)CC([NH3+])C#CC1CC1,0,GDB ChEMBL
157420,CCCC(C)C(=N)Oc1cc(Br)ccn1,1,GDB ChEMBL
207391,CCC(CC[NH3+])CC(C)C1[NH2+]C1CC,0,GDB ChEMBL
180988,C#CCCC1C(=O)NC(C)=NC1C,0,GDB ChEMBL
23993,CC1CC2CCCOCC1C1CC21,0,GDB ChEMBL
90346,CCC1CCN2CC2CC[NH2+]C1,0,GDB ChEMBL
67368,CC1C[NH+]=C(N)C1NC(C#N)CC[NH3+],0,GDB ChEMBL
112079,C#CC(O)(C#C)COC(=O)C(C)C,1,GDB ChEMBL
34460,CC1CC(=O)NC2=C(CCC2)C1,0,GDB ChEMBL
20484,CC1([NH3+])C2CC1C(N)C(=O)N2,0,GDB ChEMBL
360829,CC(C=O)C1C2CC(C3CNC(=O)C3)CC21,0,GDB ChEMBL
251801,O=CC1CC(O)C2C(O)CC[NH+]12,0,GDB ChEMBL
212550,CN(C(C#N)C(O)C[NH3+])S(C)(=O)=O,0,GDB ChEMBL
257460,CC1CC(C)(C)C=CCC1CC[NH3+],0,GDB ChEMBL
262334,COCCC(C#N)(CN=C(N)N)[NH+]=CN(C)C,0,GDB ChEMBL
53035,CCOCc1cn(CCC(=[NH2+])NC)ccc1=O,0,GDB ChEMBL
64667,Cc1c(N)ccc(CC(C)[NH3+])c(O)c1=O,0,GDB ChEMBL
2324,C#CC1=CC2C(C)CC[NH+]2C(C(C)CC)C1,0,GDB ChEMBL
391299,C1Cc2c(noc2C2CC2)O1,1,GDB ChEMBL
181512,N#CCOC(C(N)=O)C([NH3+])CO,1,GDB ChEMBL
25998,C[NH+](C)CC#CC(CO)(CC#N)CC[NH3+],0,GDB ChEMBL
242952,COc1ccc(F)c2c1[NH+]=C(N)C1CC1N2,0,GDB ChEMBL
203283,CCCC1C=C(C)CCCCC2[NH2+]C12,0,GDB ChEMBL
173936,CCC1([NH3+])CCCCC1,0,GDB ChEMBL
169096,CCCCC(CC)C1CC[NH+]2CC2C1,0,GDB ChEMBL
45947,C#CC(O)C1OC(=O)NC(C)C1C(N)C[NH2+]C,0,GDB ChEMBL
376040,CCCCCOC12CCCC1C2,1,GDB ChEMBL
149333,C#CCCc1ccc2c(c1C)CC(C(C)C)C2,1,GDB ChEMBL
58964,NC(=[NH2+])N1C2C(O)C(=O)NC(=O)C21CO,0,GDB ChEMBL
112457,C#Cc1cc(CC(C)(C=O)C(C)C)ccc1Cl,1,GDB ChEMBL
156179,CCCC1CC(O)CCC(C(C)C)C1C,0,GDB ChEMBL
261226,NC(=O)CC(=O)N(C=O)C(C=O)C(N)=O,1,GDB ChEMBL
356802,CCCC#CC(C#CCCC)CCCOC,0,GDB ChEMBL
363758,COC1c2c(Cl)c(O)cc(O)c2CCCC1C,0,GDB ChEMBL
223291,COCCC(C#N)[NH+]=CN,0,GDB ChEMBL
188509,CCc1ccc2c(c1Cl)CCC2,1,GDB ChEMBL
271802,Cc1cc2c(cc1Cl)OC1CC=CC21O,1,GDB ChEMBL
319341,CC(C#N)C1CN(C=O)CCOC1=O,1,GDB ChEMBL
346519,C#CC(CCC#N)C(CCC)C(C)C(F)(F)F,0,GDB ChEMBL
325883,CCN1C(=[NH2+])CCC1C(C)C,0,GDB ChEMBL
215264,CN(CC#Cc1c[nH]cn1)C(=O)C=O,1,GDB ChEMBL
207932,CC(C)CN(C=O)C(C)COC(=O)N(C)C,1,GDB ChEMBL
80466,C=CC(C)[NH2+]C1C(CO)C1C(=O)[O-],0,GDB ChEMBL
348663,CC1CC(=O)C2(CC2)C1(C)CO,0,GDB ChEMBL
391280,O=CC1CCC[NH+]1CCO,1,GDB ChEMBL
278130,C#CC1(O)C([NH3+])C(NCCOC)COC1(C)C,0,GDB ChEMBL
195539,CN(CC(N)=[NH2+])C(=O)CCCCC(F)(F)F,0,GDB ChEMBL
285759,CC1CCC(C(C)(C)C)C2CC2C(C)C1,0,GDB ChEMBL
210175,[NH3+]CC(OC1CC1[NH3+])C(O)CO,0,GDB ChEMBL
300977,CCC1CCC(C)CN1c1cocc1C[NH3+],0,GDB ChEMBL
391809,Cc1nc(N)nc(C#N)nc(C)nc(O)n1,0,GDB ChEMBL
124275,CC(O)C1NC(CO)C2COC1O2,0,GDB ChEMBL
330081,CC[NH+]1CC2CN2CC(O)C1CO,0,GDB ChEMBL
375115,CC1C(C([NH3+])CO)C1(C[NH3+])C(=O)[O-],0,GDB ChEMBL
278172,[NH3+]C1C(=O)NC2C3OCC12C(=O)O3,0,GDB ChEMBL
233481,C=CCC1CCC2C(C1C)[NH+]2CC,0,GDB ChEMBL
48180,CC1C=CC2CC1C(C)C2OCC(F)(F)F,0,GDB ChEMBL
250539,CCOCCCC1CC2CCC([NH3+])C12,0,GDB ChEMBL
24713,[NH3+]CC(O)(CO)CCC(=O)NC=O,0,GDB ChEMBL
250573,CCC1CC1C1Cc2cc(C)ccc2C1C,1,GDB ChEMBL
84950,CC(O)C1CC2CCC(C(C(=O)CO)C2)[NH+]1C,0,GDB ChEMBL
190014,CCC1CC2(C)CCC(O2)C1O,1,GDB ChEMBL
27756,CCCCc1c(NC=NCC)nc(N)sc1=O,0,GDB ChEMBL
16736,Nc1nc2c(o1)CNC2=O,1,GDB ChEMBL
151101,CC1C(=O)OC(CC[NH3+])C1[NH3+],0,GDB ChEMBL
308188,CC1C=CCCC[NH+]=C(N)C1,0,GDB ChEMBL
97094,Cc1cc(C2(O)CC2)cnc1F,1,GDB ChEMBL
45911,CC([NH3+])CC1N=C(N)COC1=O,0,GDB ChEMBL
8733,CC1(C)CCN(C(N)=[NH2+])C=CCC(O)C1=O,0,GDB ChEMBL
382076,CN1C(=N)NC2C([NH3+])C(CO)C(O)C2C1=O,0,GDB ChEMBL
170139,CC(C)CC[NH2+]C1CC(C)C2CC12,0,GDB ChEMBL
59209,CCN1CC(O)C([NH2+]C)C1C(C)C,0,GDB ChEMBL
345769,CS(=O)(=O)[N-]C(=O)C1CN1C(=O)C[NH3+],0,GDB ChEMBL
92862,CC(C)(C)C1C([NH3+])CC2([NH3+])CC1CNC2=O,0,GDB ChEMBL
353994,C#CC12C[NH2+]C(COCCO1)C(O)C2,0,GDB ChEMBL
187239,CCC1(O)C(C(=O)[O-])CC(C[NH3+])C1C(N)=O,0,GDB ChEMBL
46050,CC1C=CCC2CC(C)C(C)[NH+](CC[NH2+]2)C1,0,GDB ChEMBL
258317,C#CCC(C)(CC)c1c(I)ccc(CC)c1C,0,GDB ChEMBL
341851,[NH3+]CC1NC(=O)NC2(CC2)CC1[NH3+],0,GDB ChEMBL
84994,COC(=N)NS(=O)(=O)OCCCO,0,GDB ChEMBL
354014,C#CCc1ccc(N)c(C2CCC2)c1Br,1,GDB ChEMBL
79382,C[NH2+]C(CC(C)=O)C1(CO)C(O)C1OC,0,GDB ChEMBL
140117,COC1C=C(C)CC(C)C2(C)C[NH+](C)CC12,0,GDB ChEMBL
175903,Cc1nc(C2CCC(O)C2)c(C)o1,1,GDB ChEMBL
293842,C[NH2+]CC(C)(CC(O)CC1(C#N)CO1)OC,0,GDB ChEMBL
324266,C[NH2+]C1C[NH+]2CC=C(C)C(C1C)C(C)C2C,0,GDB ChEMBL
192579,CCCCC1(C(CC)OC)CC(C)C([NH3+])CO1,0,GDB ChEMBL
53720,CC(C)(C)C1C=CC(O)C(C[NH3+])CS(=O)(=O)N1,0,GDB ChEMBL
360876,[NH3+]C1CC2CCOC(=O)NC1CO2,0,GDB ChEMBL
156024,CC1C2CCC([NH+](C)C)CCC1(C)COCO2,0,GDB ChEMBL
354073,CCn1nnc(=N)nc1COCC(=O)[O-],0,GDB ChEMBL
392778,C[NH2+]CC1C=C(CC=O)CCC=C(C)C1,0,GDB ChEMBL
87661,C#CC(CC(N)=O)CC([NH3+])(C#C)CCC,0,GDB ChEMBL
280778,O=C1COC(=O)CC(O)CCN1,1,GDB ChEMBL
127190,CC1C[NH2+]C(CC(N)=O)C2COC(O2)C(=N)O1,0,GDB ChEMBL
297002,CCC1C=CCCCC=C1C(C)C,1,GDB ChEMBL
385416,CCCc1nc(Cl)ccc1C#N,1,GDB ChEMBL
68624,CC1C2C3C(CNC23C#N)N1C,0,GDB ChEMBL
114386,CCOc1c(S(N)(=O)=O)coc1OC(C)=O,1,GDB ChEMBL
271484,CC1OC2(C)C([NH3+])C1C(=O)NC2(C[NH3+])CO,0,GDB ChEMBL
289980,COCC(O)C1C(N)C12CCC=CCC[NH2+]2,0,GDB ChEMBL
47408,CCCC1C2CCCCCCCC12C,0,GDB ChEMBL
299962,CCc1cnc(C2CC2C#N)[nH]1,1,GDB ChEMBL
377911,CC1CC(C2CC[NH2+]2)OCC1[NH3+],0,GDB ChEMBL
35470,OCCC1CC(c2nccc(O)c2Cl)C1,0,GDB ChEMBL
379200,CCn1cncc(NC)nccc1[NH+]=C(N)N,0,GDB ChEMBL
132983,N#CC1NCCCOC(=N)C1N,1,GDB ChEMBL
26594,CCN1CC(C)CC(C)(C)[NH+](C)CC1C[NH3+],0,GDB ChEMBL
126345,CCC1CCC=CCCC1CC,0,GDB ChEMBL
260689,C#CC1C2CC(C#N)N1CC2C,0,GDB ChEMBL
395982,O=C([O-])C1CC2NC(=O)C2(C(=O)[O-])C1,0,GDB ChEMBL
126915,C#CCC(C(CC)OC)n1cc(C)c(CC)c1,0,GDB ChEMBL
243347,Nc1cc(C[NH3+])c(O)nc(CO)sc(N)n1,0,GDB ChEMBL
246435,CNCC1[NH2+]CC2(OC)CC(C#N)C(=O)CC12,0,GDB ChEMBL
133963,CC(O)C1C[NH2+]CC2N(CCCO)C2(C)C1,0,GDB ChEMBL
104657,CC(O)C([NH3+])C1CC(O)C(CS(N)(=O)=O)N1C,0,GDB ChEMBL
348484,COc1csc2cncc(C(C)O)c12,1,GDB ChEMBL
377020,CC(C)CCCC1CC(C)(C)NC1=O,1,GDB ChEMBL
184535,CCC#CCC(CC)C(C)(C)C,1,GDB ChEMBL
319843,CCCOCC#CC1CCC[NH2+]1,1,GDB ChEMBL
263551,CC(O)C([NH3+])CNc1cnsn1,0,GDB ChEMBL
121081,CCNc1c(Cl)cc2c(c1Cl)C1C=CC2O1,0,GDB ChEMBL
347982,CC([NH+]=C(N)Nc1cnsn1)C(=O)[O-],1,GDB ChEMBL
351160,C#CCC(CC#C)C(=O)NC1(C)C[NH2+]CC1C,0,GDB ChEMBL
19604,CN(CC#N)C1CCC(O)C1=NO,1,GDB ChEMBL
311335,CC1CN1CC(=O)C12CCC(CC1C)OC2,0,GDB ChEMBL
197186,O=C1CC(O)(c2ccncc2)C=CN1,1,GDB ChEMBL
59599,CC(C#N)NC(=[NH2+])NC1COC(=N)CN(C)C1,0,GDB ChEMBL
104438,CC[NH+]1C(C)CCC1(C)c1ccc(Cl)cc1N,0,GDB ChEMBL
395151,CCOC(=O)N1C=CC2(C)CCC12,1,GDB ChEMBL
127912,CC12CCC(O)C(CC1CO)C2C#N,0,GDB ChEMBL
71962,CC(=O)C1=CC(C)CC1(C)C(C)C(F)(F)F,0,GDB ChEMBL
40438,CCC#CCCC(CC1CCCO1)C1CC1,1,GDB ChEMBL
203609,CCC(O)CC1CC(O)C([NH3+])CC(C)O1,0,GDB ChEMBL
174930,[NH3+]C1C(O)CC(NC=O)C1C(O)CO,0,GDB ChEMBL
381446,COC(C)c1cc(Br)c(OC=O)cc1CC#N,1,GDB ChEMBL
143136,[NH3+]CC1(O)C([NH3+])C1OCC(=O)[O-],0,GDB ChEMBL
360872,Ic1cc2ccc1CCCCC=CC2,1,GDB ChEMBL
259592,COCC(C)N(C=O)C(CCO)CNCC[NH3+],0,GDB ChEMBL
358086,NC(=[NH2+])NC(C(N)=O)C(O)C(C[NH3+])C[NH3+],0,GDB ChEMBL
354039,C[NH2+]CC12OC(CC1O)C(CO)C2(C)C,0,GDB ChEMBL
40357,C#CC(=O)NCC(CCC(C)(C)O)C(C)C,1,GDB ChEMBL
207698,CC([NH3+])CCC(C)(C)C(C)CC1CC([NH3+])CO1,0,GDB ChEMBL
204807,CCN1CC(CO)=C(C#N)C(C=O)N=C1N,0,GDB ChEMBL
123054,CCC12Cc3c[nH]nc3C1C2C(F)(F)F,0,GDB ChEMBL
81019,CCCC1C[NH2+]C2CC2(CNC(N)=O)O1,0,GDB ChEMBL
394335,[NH2+]=C1NCC1(CCC(=O)[O-])C(=O)[O-],0,GDB ChEMBL
285611,CC[NH+]1CCC=CC(C(C)C)=CCC1,0,GDB ChEMBL
17044,CC[NH2+]CC(=O)C(N)=NC(C)C(CO)C[NH2+]C,0,GDB ChEMBL
324273,C[NH2+]CC1=CC2CCC(C)=CCC1C2,0,GDB ChEMBL
239401,C=CCC1C[NH2+]C2C1CCC2(C)C,0,GDB ChEMBL
17057,CC(C)(C)[NH+]1CC(N)C2(CC2)C1,0,GDB ChEMBL
32044,CCCCCC1(C)CC=C(C=O)C1C,0,GDB ChEMBL
172779,NC(=O)CC1NS(=O)(=O)C2CC12,0,GDB ChEMBL
380274,CC(C)NC(=O)C1OC2(C[NH3+])CC1C2O,0,GDB ChEMBL
33527,CCC1=NC(CC(C)C)CCNC(=O)O1,1,GDB ChEMBL
54096,[NH2+]=C1NC(C(=O)[O-])CC2C(CCO)CC2N1,0,GDB ChEMBL
335474,CCCC1(C(=O)NC)CCCC1(C)C#N,1,GDB ChEMBL
84584,CN(CC=O)CC(C)(CCO)C(=O)CO,0,GDB ChEMBL
189758,CC(=[NH2+])N1C2C(N)CC(C)CC21CCO,0,GDB ChEMBL
283950,CCC(C)CC(C)C1CCC2CCC21C,0,GDB ChEMBL
234378,C=C1CN(C)C(=O)C(=O)C1(O)CO,1,GDB ChEMBL
337410,CNC(=[NH2+])CN(CCNC(C)=O)C(N)=[NH+]C,0,GDB ChEMBL
195318,C#CC(CCCC(C)C)C(=O)[O-],1,GDB ChEMBL
227262,CCC(C)(C)C(C)(C[NH3+])CCCC([NH3+])CO,0,GDB ChEMBL
118499,CCN1c2ccnn2CC=C(C)C2CC1C2,0,GDB ChEMBL
355152,Cc1oc(N)nc1C(=O)C(C)C(C)CC(=O)[O-],0,GDB ChEMBL
277941,CCc1c(C[NH2+]C)ncc(Cl)c1N,0,GDB ChEMBL
394253,CC([NH3+])C(O)C(C)C1(C(N)C[NH3+])CNC(=O)O1,0,GDB ChEMBL
170440,CC1(O)CN(CCC#N)C=[NH+]CCCCC1=O,0,GDB ChEMBL
10974,C=CC(N=C(N)OC)C(=O)C[NH2+]C,0,GDB ChEMBL
215337,CCC1C(N)=[NH+]C(CO)C(C([NH3+])C(=O)[O-])C1N,0,GDB ChEMBL
319825,C[NH+]1CCCC1C1CC2CC2C1,0,GDB ChEMBL
280845,CCC(O)CC(N)C(C[NH3+])NC(=[NH2+])CO,0,GDB ChEMBL
29639,CNC1=[NH+]CC(C(C#N)=N[O-])NC(=O)CN1,0,GDB ChEMBL
24283,C[NH2+]CC1(C)CC2(CO)CC1(N)C(=O)O2,0,GDB ChEMBL
106624,CC#C[c-]1c(=O)cc2n1CCCCC2,0,GDB ChEMBL
248665,CN=CN(C(=O)C[NH3+])C1=NCCN1,1,GDB ChEMBL
330339,Cn1ccccoc(=O)c(C(C)(C)C)c1C#N,0,GDB ChEMBL
180021,O=C(NC1CC=C(C2CC2)C1)C1CC=CC1,1,GDB ChEMBL
64062,Cc1c(Cc2cncc(Br)c2)coc1C#N,1,GDB ChEMBL
129591,C#CC1(C#C)CC(C)CCC1C(=O)C(C)(C)C,0,GDB ChEMBL
62045,CC1COC(C)C2C[NH+](C)CC3CC32[NH2+]1,0,GDB ChEMBL
270990,CC#CC1(C)CC(C)C2CCCOC21,0,GDB ChEMBL
246998,COC(=O)CC(CN(C)C(N)=O)S(N)(=O)=O,0,GDB ChEMBL
98625,CCN1CCCC[NH+]=C1N1C=C(CO)CC1,0,GDB ChEMBL
63105,O=C([O-])CC1C(O)C2CC23CCCC13,0,GDB ChEMBL
79342,CC1NC(C[NH3+])C2CC(=O)OC1C2(C)C,0,GDB ChEMBL
189797,C#CC1C(O)CC(=O)N1C,1,GDB ChEMBL
190278,CNC(=O)NC(COC=O)C(=O)[O-],0,GDB ChEMBL
230231,C=CC(CCS(N)(=O)=O)C1NC1CO,0,GDB ChEMBL
397970,NC(=O)CC1NS(=O)(=O)CC2C(C[NH3+])NC12,0,GDB ChEMBL
383773,CC1=CCC2CC(C)=CCCC(C[NH2+]2)C1,0,GDB ChEMBL
266444,OCCCCC1(CC2(O)CCC2)CC1,1,GDB ChEMBL
4876,Cc1c(Cl)ccn2c(CC(=O)[O-])ccc12,0,GDB ChEMBL
26398,Cc1cscc1CC=CCCCO,1,GDB ChEMBL
47572,CCOC1(C(=O)NCC=O)CN(C)C1,1,GDB ChEMBL
228769,COC1CC(C)C[NH2+]C2C(O)C12,0,GDB ChEMBL
299972,CNc1cccc(N(C)C=[NH2+])c1OC,0,GDB ChEMBL
230452,O=C1CN2C3CCC(CO)C(N1)C32,0,GDB ChEMBL
244313,CC(C)C1(C)CC2NC(=O)N(C)C21,1,GDB ChEMBL
20102,CCNC(=[NH2+])CC(N)C1CC(O)CC1NC=O,0,GDB ChEMBL
376990,CC1C=CCCCC2CCC=C(C1)C2,1,GDB ChEMBL
207310,Cc1ccc(C2=CC(=N)OCC2)cc1F,1,GDB ChEMBL
197254,CC[NH+]1CCC2(COC2=O)C1,0,GDB ChEMBL
149987,CC1C[NH2+]C(C)(C)C1C#N,0,GDB ChEMBL
103526,N#Cc1noc2cc(CO)ncc12,1,GDB ChEMBL
18334,CCC1CCCC2CC(CCC[NH2+]1)C2,0,GDB ChEMBL
216177,C#Cc1cc(C(CO)CCC)nc(CC#N)n1,1,GDB ChEMBL
304284,N=COCCNC(=O)C1CC(C(=O)[O-])OC1=O,0,GDB ChEMBL
118727,CC[NH2+]C(CO)CN=c1[nH]c(=NC)ccc[nH+]1,0,GDB ChEMBL
271529,CC1Cc2[nH]ccc2N1C,1,GDB ChEMBL
165220,CNC1C(C)(C#N)C1(CO)COC,0,GDB ChEMBL
276125,CCC(O)C(CO)NC(C)(C(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
109752,C#CC[NH2+]CC1OCCCC2[NH+](C)CC12C,0,GDB ChEMBL
339025,CCC(C)CCCCC(C)(C)CC(CC)CC,1,GDB ChEMBL
196777,N#CC(CN1CC(=O)CC1CO)C(=O)[O-],1,GDB ChEMBL
340522,Cc1ccc(Br)c2c1CC(C(C)C)CC2,1,GDB ChEMBL
131907,NC(=[NH2+])C(N)=NCC([NH3+])CC(=O)[O-],0,GDB ChEMBL
355784,Cc1ccc2c(c(=O)c1)C(C)(C)CC[NH2+]C2,0,GDB ChEMBL
215850,CCC1CCC(O)C12C=CCC2,1,GDB ChEMBL
172322,NC(=O)CS(=O)(=O)NC1C(O)CC2OC21,1,GDB ChEMBL
67617,C#CC1[NH+](C(C)(C)CO)C(CC[NH3+])C1(C)C,0,GDB ChEMBL
292529,CCCCC(C)C1=CC=CCC(C)C1,1,GDB ChEMBL
172788,CC1N=COCC1OC(=O)NCCO,0,GDB ChEMBL
130588,CC(O)CC1CCOC2(C)CC=CC12,0,GDB ChEMBL
288150,CC1CC(CO)C2(C)CC[NH+]1C(CN)C2,0,GDB ChEMBL
176431,CC(C)c1nc(=O)ccn1C,1,GDB ChEMBL
305174,CCCC(C#N)CC1CCOC(C)C1,1,GDB ChEMBL
80269,CC(C)NC(=O)C1(CO)[NH2+]CC2CC1(C)C2,0,GDB ChEMBL
340483,CCC[NH+]1C2C3C=CC2C31,0,GDB ChEMBL
146945,CCC1CCCC(C)C1C1CC1C(F)(F)F,0,GDB ChEMBL
380375,COCCOCC1CC(CO)NC=[NH+]1,1,GDB ChEMBL
278142,CC1CC(C)(C)CC(c2cccc(Br)c2)C1=O,1,GDB ChEMBL
50337,C#CC1CCCCC1C[NH3+],1,GDB ChEMBL
6075,CCC([NH3+])C1(O)C(=O)NCC1(O)C(=O)[O-],0,GDB ChEMBL
259679,CC#CC1(CC)CCC(C(F)(F)F)C1,1,GDB ChEMBL
217027,CC#CC(C)(C#N)NCC1CC1,1,GDB ChEMBL
104367,CNc1ncccncnc(N)n1,0,GDB ChEMBL
80205,O=c1ccnc2c(c1)OCC1CC21,1,GDB ChEMBL
306301,CC#CC1C=C(C)C(OC)C1,1,GDB ChEMBL
51046,O=C([O-])C(=O)c1ccncn1,0,GDB ChEMBL
97205,CC1C(C(=O)[O-])NC(=[NH2+])OC1C(N)CC#N,0,GDB ChEMBL
148934,COC(=O)C1C2NS(=O)(=O)C1C([NH3+])C2O,0,GDB ChEMBL
235659,C#CC1[NH+]2CCCC2CC2C3CCCCC321,0,GDB ChEMBL
89315,CC1(O)CC(C([NH3+])C(N)=O)C2NC21,0,GDB ChEMBL
7393,CCC(C)CCC1=CCCC2CC2C1,1,GDB ChEMBL
75026,CCC1=CCOCCCCC=C1C,1,GDB ChEMBL
70988,C#CC1OCCCC(CCCC)C1C,0,GDB ChEMBL
73276,CNC(=O)C[NH+]1CC2CC(C2)C12CC2,0,GDB ChEMBL
95576,CCCC(CC)C1(C#N)C(N)=[NH+]CC(C)C1O,0,GDB ChEMBL
312543,CC[NH2+]C1C(C(=O)[O-])C2CC1(O)C(O)C2C#N,0,GDB ChEMBL
397926,CC1C(C(N)=O)CN(C)C2(C[NH3+])COC12,0,GDB ChEMBL
4935,CC([NH3+])C1C2OC(=O)NCC(C(N)=O)C21O,0,GDB ChEMBL
189985,C[NH+](C)CC1NC(C2(C)CCCO2)C1=O,0,GDB ChEMBL
80322,CC1OC(=O)C2(N)C1NS(=O)(=O)C2CC[NH3+],0,GDB ChEMBL
93127,N#CC1C(N)C(=O)[N-]C12CC2O,0,GDB ChEMBL
36147,CC#CC1(C2CCCCC2)CCOC1(C)C,0,GDB ChEMBL
280870,CCC(CC)CCCC#CCCC#N,1,GDB ChEMBL
44662,NC(=O)C(N)COC(=[NH2+])NCC(N)C[NH3+],0,GDB ChEMBL
311336,CCc1c(CC[NH+](C)C)nsc(=O)c1C[NH2+]C,0,GDB ChEMBL
177137,CCCCC#CC(C)(C)C=CCO,1,GDB ChEMBL
290579,C#CCC[NH+](C)CCCCC,0,GDB ChEMBL
127765,CCc1nc(Cl)c2c(c(C)nn2C)c1C,1,GDB ChEMBL
271560,CCC1CC2(COC3CC[NH2+]C3C2=O)NC1=O,0,GDB ChEMBL
324044,CC1CCCC(C)(C#N)C1,1,GDB ChEMBL
166415,CCc1cc(CC)c(C(C)(C)O)cc1Cl,1,GDB ChEMBL
337060,CCC(O)C(=N)NC(=O)C1COC(=O)C1,1,GDB ChEMBL
227486,CCC1C(=O)OC2CCC(O)C21,1,GDB ChEMBL
231153,CC1C=C(C2CN2)c2ncc(F)cc2CC1,0,GDB ChEMBL
24001,CCCC1[NH2+]C2CC(C)C1C2C=O,0,GDB ChEMBL
87485,CC[NH2+]C(C)C(C)(C=O)Cc1csc(C)c1,0,GDB ChEMBL
318053,CC1=CC2CC[NH+](CC2)CC(C)C12CCC2,0,GDB ChEMBL
1101,CCC#Cc1cc2c(cc1Cl)CCOC2,1,GDB ChEMBL
285086,N=C(N)NC(=O)CCc1nc(N)sc1C=O,1,GDB ChEMBL
64299,C#CC([NH3+])CC(C#N)OC(=O)CN,0,GDB ChEMBL
247396,CN1C2C(=O)NCC21C([NH3+])CCS(=O)(=O)[O-],0,GDB ChEMBL
354838,[NH3+]CC12C=CCC(C1)OC2=O,1,GDB ChEMBL
279273,CC(O)C(OCCNC=O)S(N)(=O)=O,0,GDB ChEMBL
301414,CCC#Cc1c(Br)ccc(CC)c1C,1,GDB ChEMBL
114820,CN1CC2CC1CC2C(C(N)=O)S(C)(=O)=O,0,GDB ChEMBL
27819,CCC(O)C1CC[NH2+]C(C)CC1,0,GDB ChEMBL
227305,N#CC(N)C(N)C(CO)C(=O)[O-],0,GDB ChEMBL
36001,N=C1OCC1C([NH3+])CCC[NH3+],0,GDB ChEMBL
155147,CC1OC2CCC(=O)OCC2CC=C1C#N,0,GDB ChEMBL
203551,CCCc1sc(O)nc1C,1,GDB ChEMBL
283448,CC(=O)OCC1CNC(=O)N1,1,GDB ChEMBL
181513,C[NH+]=C(N)C1CN(C=O)CCCCN1,0,GDB ChEMBL
336605,CC1OCC2C(CC#N)C2C1C,1,GDB ChEMBL
6833,C[NH2+]CC1CC(CO)N2CC2(C)C1,0,GDB ChEMBL
38478,CC(O)CC12C=CCCCC(C1)C2,0,GDB ChEMBL
310335,CCCC1CCC2CC1CO2,1,GDB ChEMBL
133971,CC([NH2+]CCCO)C1CC1(C)O,0,GDB ChEMBL
236581,CC(C)N(CC#N)C(=O)Nc1ncnnn1,0,GDB ChEMBL
304588,C=C1CCC(OCC=CCC)CC1,1,GDB ChEMBL
376967,COC1C(=O)NC1C(N)CC#N,0,GDB ChEMBL
224008,O=C1CNCC2C[NH+](CCC#CCCN1)C2,0,GDB ChEMBL
153710,CC(=O)C(C)c1c(CC(C)O)ccc(C)c1Br,1,GDB ChEMBL
95922,CC1CCC=C(C#N)CCCC(C)CC1,0,GDB ChEMBL
321953,C#CC(CCCCC(C)(C)[NH3+])(OC)C(C)O,0,GDB ChEMBL
366632,CCCc1ccc(C(F)(F)F)c(I)c1,1,GDB ChEMBL
379421,Fc1ccc2c(c1)CC1=CCC=C12,1,GDB ChEMBL
185948,CCC(O)COC1(CS(N)(=O)=O)CC1C#N,0,GDB ChEMBL
257531,CC(C)COC1CC(C)C1,1,GDB ChEMBL
358102,CCCCCC1(O)CCC(OC)C1O,1,GDB ChEMBL
339023,COC(C)(C)C1=CC[NH+]2CCCC(O)C12,0,GDB ChEMBL
102317,CC(C)CC1[NH2+]CC2C3CCCCC1C32C,0,GDB ChEMBL
19640,COC(=O)CC(O)COCCO,1,GDB ChEMBL
197452,CC1(C)CC2C=CC(=O)NCC2C(C[NH3+])O1,0,GDB ChEMBL
109549,CCOC(=O)c1nnnnc1NCCO,0,GDB ChEMBL
174879,COC1CCCC=C1C1(C)CC1CO,1,GDB ChEMBL
118173,Cc1c(C(C=O)=N[O-])cnn1CCCC1CC1,0,GDB ChEMBL
194758,C=C(CCC)C(C(=O)CC)C(C)C,1,GDB ChEMBL
34447,C[NH2+]CC(C)(NC(C)=O)C(C#N)CC[NH3+],0,GDB ChEMBL
369340,CC#CC(C[NH3+])CC1C[NH2+]C1,0,GDB ChEMBL
174070,C[NH2+]CC1C(C)CC(C)C(C)(CO)C1[NH3+],0,GDB ChEMBL
86755,CCC1CCCC(C(C)C)C2CC1C2,0,GDB ChEMBL
70157,CC1[NH2+]CC2(C#N)C(C[NH3+])C2C1O,0,GDB ChEMBL
29490,CC1CC(O)(C(O)C#N)C(C(=O)[O-])OCCO1,0,GDB ChEMBL
304129,CC1(C)CC[NH+]2C(CO)C3CC(C3)C21,0,GDB ChEMBL
148334,C=CC1CC2(C(=O)[O-])OC2C1C#N,0,GDB ChEMBL
9865,N=C(N)C(=O)OC1CNC(=O)C1N,1,GDB ChEMBL
242941,C[NH2+]C1CCC2=CCC(C2)[NH2+]CC1CC[NH3+],0,GDB ChEMBL
362704,CCCC1CC(C)=C(C)CCCCCC1C,0,GDB ChEMBL
234461,CC(N)(C#N)CS(=O)(=O)NCC[NH3+],0,GDB ChEMBL
151282,CCC1[NH+]=C2NCCCC[NH2+]C1C(C=O)N2,0,GDB ChEMBL
260569,CCCCc1cccc(N)c1C[NH+]1CCCC1,0,GDB ChEMBL
318767,CC1C(O)CCC2CC1C[NH2+]2,0,GDB ChEMBL
212587,CCCC(C)CC(CC#N)c1ccccc1F,1,GDB ChEMBL
244500,CN(CC(N)=O)c1c(CO)ncn1CC(N)=O,0,GDB ChEMBL
182497,Cc1ccc(CCOCC(F)(F)F)cc1F,1,GDB ChEMBL
132437,CC12C(=O)NCC(O)C(NS1(=O)=O)C2N,0,GDB ChEMBL
181732,C[NH2+]CC(C)C(C)CC1(N)C(O)C1C#N,0,GDB ChEMBL
177177,CC1CC2(CO)C(C1=O)N2C,0,GDB ChEMBL
197224,[NH3+]CC1CCC(C2COC2)NC1=O,0,GDB ChEMBL
247614,COC12CCCNC(=O)C[NH+](C1)C(C)C2,0,GDB ChEMBL
193293,N#CCNC(CC[NH3+])=[NH+]C1CC1,0,GDB ChEMBL
209712,C[NH2+]C(CN)C(=O)NCC([NH3+])CC(=O)[O-],1,GDB ChEMBL
197450,C#Cc1c(OCC)c(N)c(C(N)=O)n1CC#N,0,GDB ChEMBL
252063,CC(=O)OC(C)CC1OCC(C)N(C=O)C1C,1,GDB ChEMBL
124182,C[NH+]1CC2CCCOC3C2C31,0,GDB ChEMBL
265300,CCCC(C(=O)CO)C1(CC[NH2+]C)CCOC1,0,GDB ChEMBL
389653,COC1CN(CCCO)C2C([NH3+])C1C1NC12,0,GDB ChEMBL
70287,C[NH2+]C12CC(OC)C(CC(C)CO)(CC1=O)C2,0,GDB ChEMBL
215362,Cc1nc(C([NH3+])CCCC(C#N)C[NH3+])c(N)s1,0,GDB ChEMBL
334118,CCNc1nc(N)c(CN(CC#N)C(N)=[NH2+])o1,0,GDB ChEMBL
174051,CCC(C)CC1(CO)C(O)CN1C(C)=O,0,GDB ChEMBL
393922,CCCC(=NO)C(NC(C)=O)C(N)=[NH2+],0,GDB ChEMBL
186747,CC(CO)[NH+]=C1NCC12CC2,0,GDB ChEMBL
221931,[NH3+]CC1C2CCC(O)C1CC(NCCO)=[NH+]2,0,GDB ChEMBL
221728,CCC1(C)CC=C(c2ccccc2Cl)C1,1,GDB ChEMBL
263997,CCC(OC)C(CC#N)C1OC1C,0,GDB ChEMBL
352805,CCCCC1(C)C(CO)=C(C)CC1C,0,GDB ChEMBL
99658,N=C1C(CC(=O)[O-])CN1C(=O)C[NH3+],0,GDB ChEMBL
3821,CC(CCCO)C1CCC1[NH+](C)C,0,GDB ChEMBL
252846,COC1(C2=CC3CC2[NH2+]CCCC3C)CC1,0,GDB ChEMBL
194729,C#CC(C[NH+](C)CC)C(CC#N)CCO,0,GDB ChEMBL
84933,CCC(CO)N(C)C(=O)C[NH3+],1,GDB ChEMBL
332670,CC(O)C1N=C(C=O)NC(=O)C1CO,0,GDB ChEMBL
127637,CC[NH+]1CC2CC1C(c1occc1C)C2(C)C,0,GDB ChEMBL
354438,CCC12CC=CC(CC1)C([NH3+])C2,0,GDB ChEMBL
361833,Cc1ccc(Cl)c2c1C(C1CCC1)C(C)C2,1,GDB ChEMBL
292184,CC1(O)CC(=O)C2C[NH2+]CC2OC(C)(C)C1,0,GDB ChEMBL
283450,O=C([O-])C12CCC3CC1C(O)C3O2,0,GDB ChEMBL
242623,CC(C[NH3+])Cc1ccccc1,0,GDB ChEMBL
76767,CC(=[NH2+])NCCCCC1CCNS1(=O)=O,0,GDB ChEMBL
192578,CCCC(CC)(CO)N(CC#N)C1CCCC1,1,GDB ChEMBL
61792,CC1COCc2cc(I)cc(N)c2CC[NH2+]1,0,GDB ChEMBL
76952,C#CCCCC(=O)C(CC)CC1CC1,1,GDB ChEMBL
200727,CC1NC(=O)OC(C(O)CO)C(O)C1O,0,GDB ChEMBL
304586,CNC(=O)C1(C(=O)[O-])C(C)C(C)(O)C1O,0,GDB ChEMBL
189836,CCC1CC2C(CCCC23CC3)[NH+]1C,0,GDB ChEMBL
362209,CN=C1NCC(C(=O)[O-])N(CC(O)CO)C1=O,0,GDB ChEMBL
240376,NC1C2CC(O)C(C(=O)[O-])C1[NH2+]2,0,GDB ChEMBL
341910,COC1CC(C(C)O)C(O)CC(CO)OC1C,0,GDB ChEMBL
194292,[NH2+]=C1NCC(O)(C(=O)[O-])C(CCC=O)O1,0,GDB ChEMBL
305307,CC(O)(C[NH3+])C1[NH+]=C(N)NC1C(N)=O,0,GDB ChEMBL
11254,Cn1ncnc1C1COC1C[NH+]=C(N)N,0,GDB ChEMBL
116613,C#CC(O)C(C)[NH+]1CCC(C)C1,0,GDB ChEMBL
233919,CNC1C(=O)OC(C[NH3+])(CC(C)(C)[NH3+])C1O,0,GDB ChEMBL
358101,CC(C)([NH3+])COC(=O)N1CCC1,1,GDB ChEMBL
227629,C[NH2+]CC1CC(C)=CC2C(C)COC12C,0,GDB ChEMBL
331691,CC(C)C1CC(C)C2(C)CCCC2C1,0,GDB ChEMBL
349961,C#CCCCC[NH+](CC)C(CC)CC,1,GDB ChEMBL
323198,CCCCC1=CC(CC2CC2)CCC1CC,0,GDB ChEMBL
341176,CC(CC(C#N)C(N)=O)CC1(C[NH3+])CC1[NH3+],0,GDB ChEMBL
276064,CC(=O)CN(C)C(N)=[NH2+],1,GDB ChEMBL
271832,CC1C([NH3+])C2(C(=O)NCCC2O)C1O,0,GDB ChEMBL
307981,N=C(NCC(=O)[O-])NC(=O)C1CO1,1,GDB ChEMBL
26018,NC(=[NH2+])N1C2COC(=O)NC(=O)C21,0,GDB ChEMBL
249400,COC(C(C)[NH3+])C(C)C#N,0,GDB ChEMBL
190011,CCC12Cc3c(ccc(C)c3Cl)C(C1)C2,1,GDB ChEMBL
7815,CN(C)C(=N)N1C(=O)CCc2cnc(N)cc21,1,GDB ChEMBL
215484,CCOCc1cc(N)cnc1C1=CCOC1,1,GDB ChEMBL
330087,CC1OC2CN(C3CC2C3)C1C(=O)[O-],0,GDB ChEMBL
267329,CCCCC[NH+](C)C1(C(C)C)CCCCC1C,0,GDB ChEMBL
255138,C#CC(CCO)(CC(C)(C)O)C(C)CC,0,GDB ChEMBL
341883,CCC([NH3+])CCS(N)(=O)=O,1,GDB ChEMBL
316440,CC1CC(C)(CC2CC2)C2CCCC12,1,GDB ChEMBL
206981,C#CCCC(N)C(CCO)[NH2+]C,0,GDB ChEMBL
220155,CCOC=Nc1c(N)nc(C)nc1N,0,GDB ChEMBL
47517,C#CCCC(C)(C)C(C)NC(=O)CC(C)C,1,GDB ChEMBL
279249,CC(=O)C1CN2CC(C2)C(=O)N1,1,GDB ChEMBL
11252,CCNc1ncc2c(OC)cc(Br)nn12,0,GDB ChEMBL
352843,CC1CCCc2c(Cl)ccnc21,1,GDB ChEMBL
94641,C#CC(C#C)C#CCCCCC,0,GDB ChEMBL
317560,NC(=O)CNc1cc2c([O-])nnn2cn1,0,GDB ChEMBL
193752,CCCC1CC2CC1(C)C(CC)C2(C)COC,0,GDB ChEMBL
320279,CCC1C=CCCC[NH2+]C2(CC2)C1C,0,GDB ChEMBL
127166,N#CCCC12CC3CC1C[NH+]3C2,0,GDB ChEMBL
304455,O=C1CC(O)CCC2CN12,1,GDB ChEMBL
10966,NC(=O)C1COC2C[NH2+]C(C(N)=O)C21,0,GDB ChEMBL
60635,CCC1=CC(C)CC2(CCOC)CC12,0,GDB ChEMBL
133944,CCCC1(C)C(C)CCN1C(=O)C[NH+]=CNC,0,GDB ChEMBL
382119,CCN1CCN2CC1(CC[NH3+])C2,0,GDB ChEMBL
83504,CCC1COC(=O)C(C)(N)CC(C)[NH2+]1,0,GDB ChEMBL
278262,CC12C=CC3CC1[NH2+]CC(O)C32,0,GDB ChEMBL
393965,CC(C)C1C[NH+](C(C(C)C)C(C)(C)C)C1,0,GDB ChEMBL
235711,O=C1NC2C3C1S(=O)(=O)NC23C(=O)[O-],0,GDB ChEMBL
127642,CCCCc1ccc(CO)[nH]1,1,GDB ChEMBL
76830,CC1(N)C([NH3+])CC2CN(CCO)C(=O)C21,0,GDB ChEMBL
174862,CC[NH+]1CCC(OC)C=CC(C)C1,0,GDB ChEMBL
316113,CNC(=O)[N-]S(=O)(=O)CC[NH2+]C,0,GDB ChEMBL
133952,CC12CC(C(N)=O)CC1C2O,0,GDB ChEMBL
277551,C#CC(C)C(O)c1ccc(C)c(C)c1Cl,1,GDB ChEMBL
13902,NS(=O)(=O)CC1CC(O)C(=O)NCCO1,0,GDB ChEMBL
275653,CCC1C2C=C(C)CCC1C2COC,0,GDB ChEMBL
211150,C=CCCC1(C)CC(=C)C(O)C1C,1,GDB ChEMBL
317199,CC1C([NH3+])CS(=O)(=O)N1CC(=O)[O-],0,GDB ChEMBL
271035,N#CC12CC([NH3+])C(O)CC(=O)NCC1C2,0,GDB ChEMBL
59696,Fc1ccc(F)c2oc(N3CCCC3)cc12,1,GDB ChEMBL
391618,COCC(=O)C(C)c1c(F)ccc2ocnc12,0,GDB ChEMBL
195296,CC[NH2+]C(C)C1C2CCC(C)(CC)CC21,0,GDB ChEMBL
196494,C#CC1=CC(C(C)CCC)C(C)C1,0,GDB ChEMBL
9933,CN1CC2CNC(N)=[NH+]C2C1C#N,0,GDB ChEMBL
42592,[NH3+]CC1NC(C([NH3+])CO)C(CO)C1O,0,GDB ChEMBL
284289,CCC(CC1(C)Cc2ccccc2C1)C(C)C,0,GDB ChEMBL
322948,CCn1nnc(C(N)=O)c(N)c1=N,0,GDB ChEMBL
28262,CCCC1[NH2+]CC(C[NH3+])C1Nc1ncnn1C,0,GDB ChEMBL
274421,COCC(O)CC(C)(COC)CC(C)O,1,GDB ChEMBL
394249,N=C(OCC(CO)C(=O)NC=O)C([NH3+])CCO,0,GDB ChEMBL
133212,CCC1CC(=O)N2C(C=O)C12,0,GDB ChEMBL
177303,CC1C(C#N)NC2C([NH3+])C2C(=O)N1C(=N)N,0,GDB ChEMBL
85007,C#Cc1cc(F)cc(CC)c1C(C)(CC)CC,1,GDB ChEMBL
204812,CC([NH3+])C(CC([NH3+])CO)C(O)C(O)C(N)=O,0,GDB ChEMBL
199097,CCC(C)(C)C1C(C)CCCCCC1CC[NH3+],0,GDB ChEMBL
197076,CCCC1CCCN1C(=N)S(=O)(=O)C(=O)[O-],0,GDB ChEMBL
141963,CCC=CCC(C(C)C)C1CC1C,0,GDB ChEMBL
161400,C=C1CCC=CCC(C)CCC1=C,1,GDB ChEMBL
377776,CC1=CC(C)(C)CC2(C)CCC(CC1)CC2,0,GDB ChEMBL
44371,CCOCC(O)C(O)C[NH2+]C,0,GDB ChEMBL
358831,C#CCc1ccc2c(F)c(C)ccc2c1,1,GDB ChEMBL
136723,CC1[NH2+]C2CC3NC1C2COC3=O,0,GDB ChEMBL
99460,[NH3+]C1CCC(CC23CCCC2C3)CC1,0,GDB ChEMBL
274165,C#CCC1C(=O)NC(=N)C=C1C,1,GDB ChEMBL
334138,O=C1NC2C(O)C(O)CC(O)C2O1,1,GDB ChEMBL
28221,CCN(C)c1nc(C(C)[NH3+])cc(Br)c1C,0,GDB ChEMBL
376632,CCC1C=CCOC(N)=[NH+]C1CC,0,GDB ChEMBL
315290,COC(=O)N(C(=N)N)C(=O)C(=O)[O-],0,GDB ChEMBL
303900,CCCCC1=CC2CC1C(C)(CCC)C2,0,GDB ChEMBL
153297,CC1CC23CC4CCC[NH+]2C4C1C3,0,GDB ChEMBL
38551,CCCC(C[NH3+])C1(C)CC1CC,0,GDB ChEMBL
205905,Nc1ncn(CC2OC2C(=O)[O-])n1,0,GDB ChEMBL
264032,CCCC1CC[NH2+]CC(C)C1,0,GDB ChEMBL
148242,C#Cc1cc(OC)cn1C(CCC)CCOC,0,GDB ChEMBL
17105,C#CCCCCC(C)CC1([NH3+])CC1CC,0,GDB ChEMBL
119692,CCC(C)(C)C1CCC(C)(C)C2CCCC12,1,GDB ChEMBL
296587,CCN(C1CC1)C1(CC#N)CC1,1,GDB ChEMBL
118878,CCOC1(C[NH3+])CC(C)C(OC(C)C)C1,0,GDB ChEMBL
200571,C#CCC(C#CCC(C)C[NH3+])CO,0,GDB ChEMBL
235922,N#CC1COC2C(CO)NC(N)=[NH+]C2C1O,0,GDB ChEMBL
204583,CC1CC2NC(=O)C3CS(=O)(=O)NC1C23,0,GDB ChEMBL
136415,CC1=CCC2CC3CCCC(CC3)C2CC1,0,GDB ChEMBL
351409,CCC1([NH3+])C2CC1N(CCO)C(=O)N2C,0,GDB ChEMBL
377018,Cc1cc[nH]c1C(C)N(C=O)CCO,1,GDB ChEMBL
175866,[NH3+]CC1C(O)C2CC(=O)NC12,0,GDB ChEMBL
58514,CCC1CC1C(C)(C)OCCCO,1,GDB ChEMBL
128271,CCC1(OCC2=CCCCCC2)CC1,1,GDB ChEMBL
252905,N#CCCn1nncc1S(N)(=O)=O,1,GDB ChEMBL
31419,CC1C(COS(N)(=O)=O)C2OCOC1C2O,0,GDB ChEMBL
389374,CCC(C1CN1CCCC#N)S(C)(=O)=O,0,GDB ChEMBL
355308,N#CC1(NS(=O)(=O)OCC(=O)[O-])CC1,0,GDB ChEMBL
28251,COC(=NCCO)C1C[NH2+]CC1C,1,GDB ChEMBL
181635,CC1CC1C1(C)CC(O)C[NH2+]1,0,GDB ChEMBL
233458,[NH3+]C1CN=CN(c2nccnn2)C(=O)C1,0,GDB ChEMBL
216568,CCCC12CC(CO1)N(CC)C2=[NH2+],0,GDB ChEMBL
142915,CC1C(=O)NC2C3C[NH2+]C(C3)C12,0,GDB ChEMBL
124266,CCCC1(O)CN(C2(C)CC2)C(C)CC1=O,0,GDB ChEMBL
310264,C#CCCCC1C(O)C1CC,0,GDB ChEMBL
341880,C#Cc1cc(Cl)c(C)cc1C1CC(C)(C)C1,1,GDB ChEMBL
277819,C#CC(C)C(C)NC(=O)CC[NH+]=C(N)CC,0,GDB ChEMBL
106020,O=C1OCC2CC1CC(CO)[NH2+]CC2(O)CO,0,GDB ChEMBL
175871,CC(C(=O)[O-])(C1CCC[NH2+]1)S(N)(=O)=O,0,GDB ChEMBL
130214,CCCC1CC2(CC(=O)COC2=O)OCC[NH2+]1,0,GDB ChEMBL
385448,CCOC1C(C#N)C(=O)[N-]C1C(C)C1C[NH2+]1,0,GDB ChEMBL
305133,CNC(C)C(C#N)=C(C[NH3+])C(=O)[O-],1,GDB ChEMBL
97712,C#CC1=CCc2cccc(Br)c2CC#CC1,0,GDB ChEMBL
260165,CCC1[NH+](C)CC2C3C=CC(C3)C21C,0,GDB ChEMBL
84855,COC1CC(C)C2(CC[NH2+]2)C1,0,GDB ChEMBL
41329,O=C([O-])C1COCCC(S(=O)(=O)CCO)N1,0,GDB ChEMBL
265240,C=Cc1c(O)cccc1N1CCC1,1,GDB ChEMBL
239099,CC(C)C(C)[NH+]1CC(C)(n2nccc2N)C1,0,GDB ChEMBL
227726,CCCCC1C=C(CC)C(CC[NH3+])C1[NH2+]C,0,GDB ChEMBL
306339,COCCCC1(C)NC1C(O)C(=O)[O-],0,GDB ChEMBL
70314,COC(=O)N1CC(O)C2CN3CC3C21,0,GDB ChEMBL
20540,CCC1COCC(N)(C(C)[NH2+]C)CC1COC,0,GDB ChEMBL
104504,CCN(C)C(=O)C(C)C(C)(C)CC(C)C,1,GDB ChEMBL
102327,CC(=O)C(C)(C#CCO)[NH2+]CC(C)C,0,GDB ChEMBL
321971,CCc1sc(NC)c(C)ccncc1C[NH3+],0,GDB ChEMBL
275569,CCC#CC(C)OCC[NH3+],1,GDB ChEMBL
153334,CC1(CCOC(C)(C)C2CC2)C=CC(=O)N1,1,GDB ChEMBL
309197,CCNc1ccc(C)c(Br)c1,1,GDB ChEMBL
108691,C#CCCN1CS(=O)(=O)CC1C[NH2+]CC,0,GDB ChEMBL
47548,CCOC(C#N)CC(CC)CCC(C)[NH3+],0,GDB ChEMBL
163358,CN(CC1C[NH2+]C(C=O)C1)C1=[NH+]CCC1(C)C,0,GDB ChEMBL
322918,C1=CCC2CC2CCCC1,1,GDB ChEMBL
375726,COC1C(O)C(O)C(C[NH3+])C1(C)C(=O)[O-],0,GDB ChEMBL
144508,NC(=O)C12CC(=O)OC1C2CO,0,GDB ChEMBL
274196,NC(=[NH2+])C(N)C1C2C[NH2+]C(C(=O)[O-])C1C(=O)N2,0,GDB ChEMBL
141701,Cn1nc(N)cc(CC(=O)[O-])c1=O,1,GDB ChEMBL
144605,NC(=O)C1CC(O)(CNC=O)C1,1,GDB ChEMBL
124804,CCOc1c(C)cc2c(cnn2CC)c1N,1,GDB ChEMBL
391785,CC1OCC(O)CN2C1C2(C)C,1,GDB ChEMBL
256130,C[NH2+]CC(=O)CC(C)(C)c1cc(Cl)cc(Cl)c1,0,GDB ChEMBL
53675,C[NH2+]CCCC1OCC2(C)C(=O)OCC12C[NH3+],0,GDB ChEMBL
127016,N=C1NC(=O)C(N)C12OCC(CO)O2,0,GDB ChEMBL
104980,CC#CC[NH+]=C(CC(N)=O)NC,0,GDB ChEMBL
76997,C[NH2+]CC1NCC1C(O)CS(=O)(=O)[O-],0,GDB ChEMBL
75406,CC(=CC(=O)[O-])C1C(=[NH2+])NC1C#N,0,GDB ChEMBL
41661,CCC1CC([NH3+])C(O)C(C)(C)C1(C)C(F)(F)F,0,GDB ChEMBL
281786,N#CCNc1nn(C(CO)CO)ccc1=O,0,GDB ChEMBL
175729,CC[NH+](C)C1C2(C)CC=C(C)C1(O)C[NH2+]C2,0,GDB ChEMBL
76447,NC(=O)C(NC1CC(O)CC1=NO)C(N)=O,0,GDB ChEMBL
193247,C#CC1CC(CO)C2C(C(C)=O)C[NH+]12,0,GDB ChEMBL
48102,NC(=O)C1CCOC2CC21,1,GDB ChEMBL
336080,NC(=O)c1c(N)cnn1C1C[NH2+]C1,0,GDB ChEMBL
303901,CC[NH2+]CC1C2CN(C)C12,0,GDB ChEMBL
216181,C#Cc1cnc(C)cc1C=O,1,GDB ChEMBL
38152,CC[NH2+]C1C2CC(O)C1C(O)CO2,0,GDB ChEMBL
281831,[NH3+]C1CC1OCC(F)(F)F,0,GDB ChEMBL
385968,N#CCN1CCN=C1c1c[nH]nc1N,1,GDB ChEMBL
38506,CCCC(O)c1sncc1COC,1,GDB ChEMBL
363187,CC1Cc2ccc(F)c3c2C2C1C2C(C)C3,0,GDB ChEMBL
234377,[NH3+]C1COCC1CC1C[NH+]=CN1,0,GDB ChEMBL
355394,Cc1ccc2scc(N)c2c1N,1,GDB ChEMBL
140403,CCC(C)CC1(C)[NH2+]CCCC12CC2,0,GDB ChEMBL
197486,CCC1C(C(C)O)CC2(C)CC=CC12,0,GDB ChEMBL
191406,CC(C)OC(=O)NCCC(N)S(N)(=O)=O,0,GDB ChEMBL
303366,CCCCCC1(C[NH+]2CCC2)CC1,0,GDB ChEMBL
53666,C=CC1(C)C2CC(C)C(C2)C1[NH2+]C,0,GDB ChEMBL
359117,NC1CN=C2NCC(O)C(=O)N2C1,0,GDB ChEMBL
70186,CC(=O)C1(C)CC2=CC1CC(O)C[NH2+]C2,0,GDB ChEMBL
234938,CCc1ccc(N)c(NC)c1,1,GDB ChEMBL
240790,C#CC1CCC(OCC(C)C)(C(C)(C)C)CC1,1,GDB ChEMBL
374897,N=C1NC(=O)C(C(N)=[NH2+])N1C=O,0,GDB ChEMBL
238561,COC(=O)C1N(C)CC(O)C1(O)C1CC1[NH3+],0,GDB ChEMBL
358804,C[NH2+]Cc1ncoc1CO,0,GDB ChEMBL
126587,CCC1C(C(=O)[O-])=CCC1[NH2+]C(C)(C)CC,0,GDB ChEMBL
289392,CC1C([NH3+])C(CO)C(C(=O)NC(=N)N)N1C=O,0,GDB ChEMBL
275605,CCCC1(C)C2C=C(C)CCC1C(C)(O)C2,0,GDB ChEMBL
117340,Cc1cc(O)c(=O)c2ncnc(N)c2c1,1,GDB ChEMBL
300490,Nc1c(Cl)c(C(O)C=O)cc2c1CCN2,1,GDB ChEMBL
27934,CC1OC(=O)C(C)C(C=O)(CS(N)(=O)=O)C1O,0,GDB ChEMBL
84968,CCC1(OC)C2C(C)CNC(C#N)(CO)C21,0,GDB ChEMBL
119986,CCC(C)(O)Cc1cc(C)c(F)cc1CC[NH3+],0,GDB ChEMBL
111899,Oc1cc2scnc2cn1,1,GDB ChEMBL
333912,C#CC(O)CC1C[NH2+]C2C=C(C)C1C2,0,GDB ChEMBL
115605,C#CC1CCCCC(C#C)C1CCC,0,GDB ChEMBL
67872,CCOCCOCCCOCCO,1,GDB ChEMBL
368168,C#CCCOc1cc(C)cnc1C,1,GDB ChEMBL
184122,CC1CC(C2(C[NH3+])CC2)[NH2+]C1C,0,GDB ChEMBL
387064,Cc1cccc(CC(N)=O)cc(C=O)c[nH]1,0,GDB ChEMBL
38560,CC1C(CO)N(C)C(=[NH2+])CC2C(O)CC(=O)N12,0,GDB ChEMBL
173743,CC1C[NH+](C)C2CC(C=O)OC12,0,GDB ChEMBL
147596,CS(=O)(=O)NC1C2[NH2+]CC(C(O)CO)C12O,0,GDB ChEMBL
181592,CCc1cc(F)cc(CC(C)C(C)C(C)C)c1,1,GDB ChEMBL
101066,CC1CC2CC[NH2+]C(C=C1CCCC#N)C2,0,GDB ChEMBL
201422,C#CCC1CCC[NH+]1C1CC1OCC,0,GDB ChEMBL
246838,COC1CC(CN)[NH2+]C1CC(OC=O)C(N)=O,0,GDB ChEMBL
289458,COC(C)C1NC1C1CC1,0,GDB ChEMBL
142546,C#CC=CC#CCOCCC(C)C,1,GDB ChEMBL
136554,C[NH2+]CCNCCc1oc(C)c(CC[NH3+])c1C,0,GDB ChEMBL
72384,CCC1OCC(C)C1C(CC)C(C)CC(C)C,0,GDB ChEMBL
282186,CNC(=O)C(CO)n1nc(N)nc1C#N,0,GDB ChEMBL
331146,Nc1c(O)c2cccc3c2n1CCC3,1,GDB ChEMBL
284401,CC([NH3+])CNC1C=CCCCC(C)OC1,0,GDB ChEMBL
179178,CC(C(N)=[NH2+])C(=NO)C(=O)[O-],1,GDB ChEMBL
38928,CC(C)N=C1CCC(=O)N1CC1(C)CCC1,0,GDB ChEMBL
252872,COC(C)(CC(=O)[O-])C(=O)C(=O)[O-],0,GDB ChEMBL
230522,[NH3+]CC1CCc2sc(O)c(OCC(=O)[O-])c21,0,GDB ChEMBL
80445,CC1NC(CC(N)=[NH2+])C(O)CC([NH3+])C1O,0,GDB ChEMBL
147916,COC(C)(C(C)O)C(NC(N)=O)C(O)CO,0,GDB ChEMBL
179492,COC1CC2(C)CC(CC1O)C2,0,GDB ChEMBL
318496,C#CC1(C(C)C)CC(C(C)(C)C)C(C)[NH+]1CC,0,GDB ChEMBL
79628,CCCc1ccc(CCC)c(C(C)C(C)C)c1,1,GDB ChEMBL
162936,C=CCC(=O)NC(C#CC)=CCO,1,GDB ChEMBL
42292,NS(=O)(=O)CC1(CO)NC(=O)CC2OC21,0,GDB ChEMBL
168404,NC(=O)N1C(C[NH3+])CC1C[NH+]=C(N)N,0,GDB ChEMBL
121774,C#CCNC(=O)Cc1ncnn1C,1,GDB ChEMBL
184640,CC(N)=[NH+]CCCc1cc[nH]n1,0,GDB ChEMBL
317992,CC(=N[O-])c1cnc2cnc(N)nc2c1Br,0,GDB ChEMBL
284705,CC1OC(CCO)C1(C)C(=O)[O-],0,GDB ChEMBL
256123,Cc1c(Cl)cccc1C1=CC2CC1C2C,1,GDB ChEMBL
262198,CC(C)CC12CCC([NH3+])C1C1[NH2+]CCCC1C2,0,GDB ChEMBL
147225,C=Cc1cc(C2CCC2)ccc1Br,1,GDB ChEMBL
270087,CC(C)C1CC(C[NH3+])C2(C)CCC1(C)C2,0,GDB ChEMBL
4826,O=CNc1ncc(NCCO)s1,1,GDB ChEMBL
235584,Cc1sc(NC(=O)C2([NH3+])CC2)cc1C(C)C,1,GDB ChEMBL
142496,NC(=O)C([NH3+])CC(=O)OC1C([NH3+])CNC1C[NH3+],0,GDB ChEMBL
68484,CCC(CC1CC1(C)CO)(CN(C)C)[NH2+]C,0,GDB ChEMBL
152015,CCCOCCC(NC)C(F)(F)F,1,GDB ChEMBL
98526,CCC([NH3+])CC(C)C1CC1,0,GDB ChEMBL
81548,C#CC12CCC(C(C)O1)C2COC,0,GDB ChEMBL
315143,C#CC1CC1c1cc(Cl)c(CC)cc1C,1,GDB ChEMBL
87656,CCC1CC([NH2+]C)C(C)CC2CC1C2,0,GDB ChEMBL
96081,CC(c1[nH]cc2c1CCO2)C1CCC[NH+]1C,0,GDB ChEMBL
17277,Ic1nccc(NCCCC2CO2)n1,1,GDB ChEMBL
197444,CC1CC2C(C)C2(C)c2ccc(Cl)cc21,0,GDB ChEMBL
5215,Cc1ccc2c(c1I)CC1CC1N(C)C2=O,1,GDB ChEMBL
91166,CCNC1C(=O)NC2C(CC)[NH2+]C12,0,GDB ChEMBL
372194,CCC(C)(C)C1CC2CC(C)(C(C)C)C1C2O,0,GDB ChEMBL
398983,N#CC1CC(=O)C2(C(N)=O)CC2(C(=O)[O-])N1,0,GDB ChEMBL
127289,CN=c1[nH]nc(NC(C)CC(N)=O)nc1C,0,GDB ChEMBL
377950,O=S(=O)([O-])CC1CC[NH2+]CC1,0,GDB ChEMBL
338516,C#CC(CCO)(C(C)CC)C(CO)OC,0,GDB ChEMBL
39984,CCC1CCC(C)(C)CC(CC)([NH2+]C)C1,0,GDB ChEMBL
259116,CCC1C(C)CCCC1(CC)CC[NH3+],0,GDB ChEMBL
182538,CCCC1(CCCC=O)CC(=O)CC1C(C)C,0,GDB ChEMBL
190454,CCOC1CC2(CC2)C(O)C([NH3+])C1N,0,GDB ChEMBL
139796,CC(C)C1CCCC1C(C)CC1C[NH2+]1,0,GDB ChEMBL
262257,Cc1cc(C)c2c(c1)C=C1CCC(C)CC12,1,GDB ChEMBL
161961,CC([NH3+])C1CC(=[NH2+])NCC(O)COC(=[NH2+])N1,0,GDB ChEMBL
84442,C#CCc1c(F)ccc(C(C)(C)C)c1C(C)C,1,GDB ChEMBL
175685,N#CC(N)(CN)C(N)(CO)C(=O)[O-],0,GDB ChEMBL
214403,N#CC1(N)CC2[NH2+]CC1CC([NH3+])CC2O,0,GDB ChEMBL
293856,C#CC(N)C[NH+]1CC(O)C(O)C1C,0,GDB ChEMBL
115745,C#CCNc1cc(F)c(C)cn1,1,GDB ChEMBL
238553,CC1CC(=O)Nc2cnoc2C(CO)O1,0,GDB ChEMBL
81733,CN1C(=N)C(CO)(C(=O)[O-])NC1=[NH2+],0,GDB ChEMBL
271072,CCC#Cc1ccc(Br)cc1C#CC1CC1,1,GDB ChEMBL
34247,CC1N=CNC(=O)CC1([NH3+])C(=O)[O-],0,GDB ChEMBL
116405,CCC1CC(C)C(C)(C)O1,1,GDB ChEMBL
375137,COCC1OC2CC1(O)C(C)(C[NH3+])C2O,0,GDB ChEMBL
342331,CCCCC1CC=C(C(C)(C)CC)C(C)C1,0,GDB ChEMBL
281175,O=CNCC1C(CC(=O)[O-])CN2C(CO)C12,0,GDB ChEMBL
33568,CC(=O)c1cnn(CCN(C)C=[NH2+])c1,0,GDB ChEMBL
398834,CNC1(CNC(N)=[NH2+])CC([NH3+])C(O)C(O)C1[NH3+],0,GDB ChEMBL
109557,CCC(CC)C1CC=CCC1(C)C(C)C,0,GDB ChEMBL
292285,C[NH+]1CCC2NC2(C(C)(C)C)C1,0,GDB ChEMBL
33149,CCCC1C2CC3C4CC[NH2+]C(C12)C43,0,GDB ChEMBL
375188,CNC(=[NH+]C)C1[N-]C(=O)N(C(C#N)CO)C1=O,0,GDB ChEMBL
372769,C#CC(C)(CCC)C[NH+]1CCNCC(C)C1C,0,GDB ChEMBL
136538,Clc1cccc(N2CC2)c1Cl,1,GDB ChEMBL
35475,C[NH+]1CCC=CCc2cc(Br)c(Br)c(c2)C1,0,GDB ChEMBL
315141,N=C(Cn1cnnc1)NC(=[NH2+])CCC(=O)[O-],0,GDB ChEMBL
277591,COC(=O)C1=CNCC1O,0,GDB ChEMBL
45698,COCC1(C(N)=[NH2+])CC(C(O)CCO)C1,0,GDB ChEMBL
40891,CC1(C)C2C=CC1c1ccc(Cl)cc1C2,0,GDB ChEMBL
17322,COC1(C)CCNC(=O)C2[NH+]=C(N)C1C2N,0,GDB ChEMBL
290013,N#CC(NC(=O)CO)C1NCC(O)CNC1=[NH2+],0,GDB ChEMBL
279125,CCCOC1C2CC2OC2CC21,1,GDB ChEMBL
330492,C#CC1NC(=[NH2+])NCC1C(=O)[O-],0,GDB ChEMBL
195445,CCC1NC(=O)C2(N)C3OCCCC132,0,GDB ChEMBL
217388,COC(C(=O)[O-])C1[NH2+]CC2C(C)C21,0,GDB ChEMBL
247606,CCc1cc(F)c(CC(C)[NH+](C)C)c(C)c1F,0,GDB ChEMBL
348587,CC[NH2+]C(C)C(=N)OC1C2C(O)CC(O)C12,0,GDB ChEMBL
341164,CCCC1OCC(O)C1(C)C(CC)C(O)CO,0,GDB ChEMBL
92291,C#Cc1c([O-])c(Cl)cc(C[NH2+]C)c1C(F)(F)F,1,GDB ChEMBL
130222,CCCOC1C=CC(C)=CC(CC)C1,0,GDB ChEMBL
227506,CCC(CC)(CC)Nc1cc(N)cn[nH+]1,0,GDB ChEMBL
350722,COCc1cc(C=O)nc(Cl)n1,1,GDB ChEMBL
111616,C#CCC1C(C#C)CC(C[NH2+]C)CC1OCC,0,GDB ChEMBL
398854,C[NH2+]CC1(C)COC(=O)C1c1cc(C)[nH]n1,0,GDB ChEMBL
33571,COC(=O)N1CCC(=O)C(NC=O)C1C(=O)[O-],0,GDB ChEMBL
103918,C#CC(C)c1nccc2cc(Cl)c(Cl)c(C)c12,0,GDB ChEMBL
332354,NC(=O)CN1C(=[NH2+])NC2C(O)C21C(=O)[O-],0,GDB ChEMBL
26583,Cc1nc2c(s1)CNC(=O)CO2,1,GDB ChEMBL
344319,COC(C)CC(=O)Nc1nnc(C)n1C,1,GDB ChEMBL
323351,O=C1CC2CCC=C2CN1,1,GDB ChEMBL
308704,CCC(C=O)CCCOc1cccc(N)c1Cl,1,GDB ChEMBL
47671,CCCCC(C1CC1)C1C2C=CC(C2)C1C,0,GDB ChEMBL
332697,CCC(C(C)C)N(C)c1cc(C)ncn1,1,GDB ChEMBL
61725,NC(=O)C(C(N)=O)C1(CO)CC(=O)CC(=O)N1,0,GDB ChEMBL
66753,O=C1OC2C3C(CC1CO)NS(=O)(=O)C23,0,GDB ChEMBL
194433,CCC12CC(O)CC(C)C1C2CCC(=O)[O-],0,GDB ChEMBL
204212,C#Cc1cc(CC2CCCCC(C)[NH2+]2)[nH]c1C,0,GDB ChEMBL
289298,CCC(C[NH3+])C1[NH2+]C(C(=O)[O-])C(CC#N)C1O,0,GDB ChEMBL
212602,CCCC([NH3+])C1C(=O)OCOc2cc(C)[nH]c21,0,GDB ChEMBL
56659,CCC(C)(C[NH3+])C(O)(C[NH3+])COC,0,GDB ChEMBL
87021,CC(OC(N)=NCC#N)C(O)c1cn(C)cn1,0,GDB ChEMBL
136491,Clc1cccc2c1C1=CCCC1N2C1CC1,1,GDB ChEMBL
61300,C#CCC1C(C)c2c(F)cccc2C2CC21,0,GDB ChEMBL
199085,C[NH2+]CC(O)C(O)C([NH3+])CS(N)(=O)=O,0,GDB ChEMBL
180813,CC1(C#N)[N-]C(=O)C2(CCO2)C1C[NH3+],0,GDB ChEMBL
6536,[NH3+]C1CN2C3C(NC(C(=O)[O-])CS2(=O)=O)C13,0,GDB ChEMBL
222825,C#Cc1nccnc1C(CC(=O)[O-])OC(N)=O,0,GDB ChEMBL
110201,CN(CC[NH+]=C(N)N)CC1C([NH3+])C1C[NH3+],0,GDB ChEMBL
201680,CCC1C(C)CC(C2CC2)C(C)CC1(C)C,0,GDB ChEMBL
67347,C[NH2+]C1CC2CCCC2C(C)=CC1(C)C,0,GDB ChEMBL
194220,CCc1ccc(I)c2c(=O)ccc(N)cc12,1,GDB ChEMBL
242958,C#CC[NH+](CCO)CC1(CC#CC)CN1,0,GDB ChEMBL
111593,COC1(C)CCCC2(CC2)C(C)[NH2+]C1,0,GDB ChEMBL
127018,CCC1CCC2=CCN(C(C)=O)C2=CC1C,0,GDB ChEMBL
380279,OC1C(O)C2C3C4CC[NH+]2C1C43,0,GDB ChEMBL
78655,CC(CNCC[NH3+])[NH+](C)C1CC(CC[NH3+])C1,0,GDB ChEMBL
207682,Nc1nn(C2CC([NH3+])(CO)C2)cc1[N+](=O)[O-],0,GDB ChEMBL
280454,C=C(C=CC#N)c1cccc(C)c1,1,GDB ChEMBL
98908,CC1=CC=CC#Cc2cccc(c2)C1,1,GDB ChEMBL
338313,CC1C(O)CC2C3C1C[NH+](C)CCC23C,0,GDB ChEMBL
29014,CN1CC(=O)C2(CCC2)NCCC1=O,1,GDB ChEMBL
108155,CC1CC2c3cc(Cl)ccc3C1C1CC21,0,GDB ChEMBL
134415,CCC1(CC(C)C#N)CCC[NH+]2CCC1C2C,0,GDB ChEMBL
247345,C#CC([NH3+])C(O)C1(C)CC(=O)NCC(CO)N1,0,GDB ChEMBL
337394,CC[NH2+]C(CC)C1C2C[NH+]3CCC(=O)C3C21,0,GDB ChEMBL
33244,C#CC1=CC([NH3+])CC(C[NH3+])CNC1=O,0,GDB ChEMBL
148349,[NH3+]CCC1(C2CO2)CCC1,0,GDB ChEMBL
294494,Cc1cncc(CCC2CO2)c1,1,GDB ChEMBL
214046,C1CCC2C(C1)OCC2N1CC1,1,GDB ChEMBL
170464,CC1CC2OC2S(=O)(=O)NC1C(=O)[O-],0,GDB ChEMBL
143839,CC(C)CC1C([NH3+])C1CC(C)C(C)C,0,GDB ChEMBL
152485,CCCCCCC1C(C)C2CCC1C2C(C)C,0,GDB ChEMBL
394899,CCC(O)Cn1ncc(C(N)=O)n1,1,GDB ChEMBL
352590,CCCC([NH3+])C(O)C1OCOC1CO,0,GDB ChEMBL
3799,CC1(C(N)C#N)CCNC1=O,1,GDB ChEMBL
126975,COC12CCC(C[NH3+])(NC(=O)C1)C2C,0,GDB ChEMBL
331486,Clc1ccc2c(c1Cl)C1CC1C1C=CC2C1,0,GDB ChEMBL
2374,C#CC1=CC[NH+](C)CC(C)C1,0,GDB ChEMBL
155123,CC(O)CC1CC1C([NH3+])CO,0,GDB ChEMBL
20490,CNC(=O)C(O)C1C2C(N)C[NH+]=CN21,0,GDB ChEMBL
190243,C[NH2+]CC12C=C(C(=O)[O-])CC1N=C(N)O2,0,GDB ChEMBL
111466,COC(C(N)=[NH2+])C(O)C(O)CO,0,GDB ChEMBL
289452,Cn1nc(CCC2CCOC2)sc1=N,1,GDB ChEMBL
95516,COC1CCC2C(C)C(C[NH3+])C(C(C)C)CC12,0,GDB ChEMBL
249865,C#CC(O)C1C([NH3+])C(C(=O)[O-])NS1(=O)=O,0,GDB ChEMBL
161430,C[NH+]1CC(C(=O)[O-])C2C=CC3(C)C1C23O,0,GDB ChEMBL
123004,C[NH2+]CC1C(C(C)C)=CCC1(O)CC[NH3+],0,GDB ChEMBL
153241,NC(=O)NC(=O)C1NCC1([NH3+])CO,0,GDB ChEMBL
148829,[NH3+]CC1=CN(C2COC2)C(=O)OC1CCO,0,GDB ChEMBL
355382,COC1CC=CC(C)OC1=NC(C)CO,0,GDB ChEMBL
33528,CNC1(CCOC)C[NH+]=C(N)C1,0,GDB ChEMBL
227279,[NH3+]C1C2OC1C(CO)CC(CO)NC2=O,0,GDB ChEMBL
75435,COc1c(CO)c(C2CN2)cc2c[nH]nc12,1,GDB ChEMBL
68469,NS(=O)(=O)CNC(=O)c1nccs1,1,GDB ChEMBL
197433,CCC1CC2[NH+]3CC2(C)C1C3CO,0,GDB ChEMBL
26451,CC([NH3+])CC1(C)CCC2CN2C1C(=O)[O-],0,GDB ChEMBL
347024,CCC1[NH+](C)CC2CC1(C)C(O)C2C=O,0,GDB ChEMBL
380628,O=S(=O)([O-])CC1[NH2+]C(CO)C(O)C2OC12,0,GDB ChEMBL
116595,CNS(=O)(=O)CC1N(C(N)=O)C1(C)CO,0,GDB ChEMBL
370339,CCC[NH2+]CCC(N)C[NH2+]C,0,GDB ChEMBL
27800,CC1C(=O)CCC1(C)CO,1,GDB ChEMBL
234902,NC1=NC2(C(=O)[O-])C(N)C2NC(=O)OC1,0,GDB ChEMBL
340150,COC(=O)CC1(C)NC(C(N)=O)CS1(=O)=O,0,GDB ChEMBL
112399,CC(C)CN1C(=[NH2+])NCCCC(C)C1C,0,GDB ChEMBL
354768,N#CC1=CCC(C[NH2+]CCN)C1,0,GDB ChEMBL
288144,C#CC1(C(C)CC(CCC)CC(C)C)CC1,0,GDB ChEMBL
67577,CC1CC2=C(CO1)C(O)CC([NH3+])CC2C,0,GDB ChEMBL
300713,N=C(N)NC(=O)C1CCO1,1,GDB ChEMBL
22543,COC(=O)Cc1c[nH]cn1,1,GDB ChEMBL
48762,CC1C(C)C12CCCCCC(C[NH3+])C2,0,GDB ChEMBL
305523,NC1=[NH+]c2nnc(N)nc2OCCCN1,0,GDB ChEMBL
344364,Fc1nnncc1CC[NH2+]CCC1CC1,0,GDB ChEMBL
271625,CCC1C=C(C(C)C)COC(C)(CCO)C1,0,GDB ChEMBL
195217,CC(C#Cc1nn(C)cc1N)C1CC1,1,GDB ChEMBL
263192,CCOc1cc(N)n(C)c(C)c(C)nc(N)n1,0,GDB ChEMBL
163835,COC1CCC2CCC1CO2,0,GDB ChEMBL
368431,[NH3+]CCCC1C(O)CC2OC21,0,GDB ChEMBL
144620,CCC1C2CC(C(C)O)C1(C)CC=C2C,0,GDB ChEMBL
243925,C[NH2+]CC(N)C#CCC(=O)OC,0,GDB ChEMBL
354369,COC(=O)N1CC2CCC([NH3+])C(N)(C1)C(C)O2,0,GDB ChEMBL
61855,[NH3+]CCC1CCCn2cc(O)nc2N1,0,GDB ChEMBL
304432,CC(C)(O)C1CC2C(=O)OC(O1)C2(C)CO,0,GDB ChEMBL
34230,CN(C=O)c1cnc(CS(C)(=O)=O)c(Cl)c1,1,GDB ChEMBL
375738,CC1CC(C)(C)C(C#CC2CC2)C1C[NH3+],0,GDB ChEMBL
227309,NC1=[NH+]CCCC(O)CO1,0,GDB ChEMBL
114992,C#CCC(CC[NH3+])CCC1C(O)CCC1C#N,0,GDB ChEMBL
278115,CC12C(C(=O)[O-])CC(CC1c1ncc[nH]1)C2O,0,GDB ChEMBL
305991,CC(O)C(C)C1Cc2c[nH]c3ccc(I)c1c23,0,GDB ChEMBL
77023,CNS(=O)(=O)C(C(=O)[O-])C1CN1C(C)=[NH2+],0,GDB ChEMBL
67395,CC1CC([NH3+])CC2C[NH2+]CC12,0,GDB ChEMBL
9712,CN1CCOS(=O)(=O)NCCNC1=O,1,GDB ChEMBL
140401,COCCCNC(=N)NC=O,1,GDB ChEMBL
29482,CC(CO)[NH+](C)CCC(N)=[NH2+],0,GDB ChEMBL
61256,O=C1OC(CO)C2C1N2C1CNS(=O)(=O)C1,0,GDB ChEMBL
307612,CC1CC2CC1C(C)(C)C[NH+]1CCCC21,0,GDB ChEMBL
98860,CC1(CC(CO)C2C[NH2+]2)COCC(O)C1,0,GDB ChEMBL
84489,CCC(OC)C1OC(=O)C2(C)COC12C#N,0,GDB ChEMBL
234909,NC(=O)n1nccc(C[NH3+])c1=O,0,GDB ChEMBL
131665,CCCCc1c(C)cnc2oc(C[NH2+]C)cc12,0,GDB ChEMBL
290543,Cc1c(C#N)c(N)n2c1COC(CC(C)C)C2,0,GDB ChEMBL
257962,CNc1nc(COCC[NH3+])nc(=O)n1C,0,GDB ChEMBL
59236,CCCCc1cc(CC)c2ccnn2c1I,1,GDB ChEMBL
199068,CCC1C=CC2CCCC(C)(C)C2C1C,0,GDB ChEMBL
280733,CC1(C)[NH2+]C2(CCCNC2=O)CC1O,0,GDB ChEMBL
122855,CC(C)C12C=CC(CC1=NO)NC(=O)N2C,0,GDB ChEMBL
19410,CNC(=O)c1cc(Br)cc(N(C=N)C(=N)N)n1,1,GDB ChEMBL
355365,CCC1C2CCCC2C1CCC(C)C,0,GDB ChEMBL
372150,COC(C#N)(COC(C)=O)C(=O)C(=O)[O-],0,GDB ChEMBL
35740,CCOCC1CCCCOC1,1,GDB ChEMBL
288632,C#CC1CC2CCC1CC(CC(C)C)C[NH2+]C2,0,GDB ChEMBL
65948,CC12CCCCC1C1CCCC1C2O,0,GDB ChEMBL
354839,CC(C(=O)[O-])C12OCCC1(C[NH3+])CC2[NH3+],0,GDB ChEMBL
383964,CC(NS(C)(=O)=O)C1(C#N)[N-]C(=O)C2C1N2C,0,GDB ChEMBL
215705,N#CC1[N-]C(=O)CCC1CC=O,0,GDB ChEMBL
121537,CCCCCC1CC2CCC1C=C2C1CN1,0,GDB ChEMBL
248904,CCC(C)[NH2+]C1CC(C)=CC2CCC1C2,0,GDB ChEMBL
117334,C#CC12C3CCCC[NH+]1CC(C)CC32,0,GDB ChEMBL
53052,CNC1=NC(C(=O)Oc2cncnc2)C(=O)N1,0,GDB ChEMBL
144570,NC(=O)c1cc(OC23COCC2C3)ncn1,1,GDB ChEMBL
33897,CCOCc1ccc(C([NH2+]C(C)C)C(C)C)s1,0,GDB ChEMBL
251954,CC1[NH2+]CC2(C)CC(CO)CC12,0,GDB ChEMBL
77501,CC1CCC2CC1(C)CCC2CO,0,GDB ChEMBL
180050,CCC1C2(C)CCCC1(C)C1CCC12,0,GDB ChEMBL
376982,C#CC(CO)CCCC[NH+](C)CC1OCCO1,0,GDB ChEMBL
155826,CC(=O)OCC(O)(C#N)C(=N)OCC(N)=O,1,GDB ChEMBL
307960,CC1[NH2+]C(CCO)C23NC(=O)OC2(C)C13,0,GDB ChEMBL
309784,CC1=CCCCC2C3C=CC(CCC3)C2C1,0,GDB ChEMBL
138395,COCC([NH3+])COCC(OC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
113505,CC12CC3CCCC1COC3C2,0,GDB ChEMBL
315278,N=C1CC(C[NH2+]C2CC2)CO1,0,GDB ChEMBL
93406,CC[NH2+]Cc1c(C)c(F)cc(C)c1O,0,GDB ChEMBL
284709,CC1(C)CC1C1CCC(=O)NC1,0,GDB ChEMBL
396087,C#CC(C)OC(C)(CC)C(N)=O,0,GDB ChEMBL
151217,CC1CCCC2CCCCC1C2C,0,GDB ChEMBL
143808,CN(CC(N)=O)C(C)(CO)C[NH+]1CCCC1,1,GDB ChEMBL
353243,C#CC12CCCC1CC(CC(C)C)C2,0,GDB ChEMBL
104372,CC[NH2+]C1CCCC2(C)CC=C(C)CC12,0,GDB ChEMBL
77364,CC(O)(CC(CO)C(CO)CO)C(=O)[O-],0,GDB ChEMBL
345481,C=CC1(CC(C)(C)CCCO)CO1,1,GDB ChEMBL
33843,[NH3+]CC1CC(S(=O)(=O)[O-])C=CC(=O)N1,0,GDB ChEMBL
274069,C[NH2+]C(CCO)C1CN1C=O,0,GDB ChEMBL
259087,CC1(C)C=Cc2c(Cl)cc(C(F)(F)F)cc21,1,GDB ChEMBL
173862,C#CCC(C)(C)C([NH2+]C)C1=CCCCC1,0,GDB ChEMBL
346839,CCCC1CC2CCC(C)(C[NH2+]2)C1C[NH3+],0,GDB ChEMBL
133353,CCCC1[NH2+]CC(N)(C(N)C[NH3+])C1C(N)=O,0,GDB ChEMBL
29708,C#CCC(C)C1[NH2+]CC=C1CC,0,GDB ChEMBL
235667,CCC(Cc1[nH]nc(C=O)c1C)OCC(C)C,1,GDB ChEMBL
174062,NC(=O)C1CC(CO)(CN2CCC2)OC1=O,0,GDB ChEMBL
299721,CCCC#Cc1cccc2c1C1CC2(O)C1,1,GDB ChEMBL
173928,CC1CCC[NH2+]CC2(CCC2)C[NH2+]C1,0,GDB ChEMBL
76505,CCCC1c2c(c[nH+]c(N)c2CC)CC1(C)C,0,GDB ChEMBL
124560,COCCC(=O)COC,1,GDB ChEMBL
363133,CC1C[NH2+]C2CC3COC(=O)C3C2N1,0,GDB ChEMBL
253598,CC1CC2C(C)c3ccc(F)cc3CC12,0,GDB ChEMBL
22026,C#CCC[NH2+]C(C)CC(C)CC(C)O,0,GDB ChEMBL
18867,COc1coc2c(C(N)=O)n[n-]c12,0,GDB ChEMBL
140811,CCC(C)C#CC(C)CC(C)O,0,GDB ChEMBL
132463,CCN=c1cc(C=O)cc(C)c(O)c1,0,GDB ChEMBL
87076,C#CC(CCC)C(C)C1(C)CCCC(C)C1C,0,GDB ChEMBL
81123,CCCC1=CC(C)CC1(O)CCCC[NH3+],0,GDB ChEMBL
131624,C#CC(C#N)C(OC)C(C)(O)CC(N)C[NH2+]C,0,GDB ChEMBL
217652,CCCCC1CC2(CC)C=CC1CC2CC,0,GDB ChEMBL
265291,Cc1ccn(C(N)=O)c1C=O,1,GDB ChEMBL
264966,CC1N(C)C(C#N)C12NC(=O)CC2O,0,GDB ChEMBL
307600,CN1CC2(C1)OC(=O)C2CO,1,GDB ChEMBL
179450,C#CC1C(C#N)CC2CCCCC1(C)C2,0,GDB ChEMBL
66697,CC12C3CC([NH3+])C1OC(=O)C32,0,GDB ChEMBL
298191,CCC1C2CCCC2CC2CC(C)CCC21C,0,GDB ChEMBL
129563,CC=CC(C[NH3+])C(C=CC)C(C)O,0,GDB ChEMBL
66715,CC(=O)C(=O)N(C)C(=O)C(C#N)NC(N)=[NH2+],0,GDB ChEMBL
204343,CNC(=O)C#CC(O)CCO,1,GDB ChEMBL
280614,COCCC1C(C)C1N(C)C(C)(C)C#N,1,GDB ChEMBL
334628,N=CN(C=O)C(=O)c1ccon1,1,GDB ChEMBL
8686,CC12CC=C(CO)C1N2C(C(N)=O)C(=O)[O-],0,GDB ChEMBL
107002,C#CCc1c(N)ccc(CCCO)c1I,1,GDB ChEMBL
241153,C#CC(CC)(CCOC)[NH2+]CC1CCN1C,0,GDB ChEMBL
386166,CC1CCC2OC(C)CC2[NH2+]1,0,GDB ChEMBL
21539,CN1CCC2[NH2+]C(C=O)CC21C,0,GDB ChEMBL
358528,COc1nc(=N)c([O-])c(O)cc1C(N)=O,0,GDB ChEMBL
300705,CCC1C=Cc2cccc(F)c2CC1,1,GDB ChEMBL
321984,CCc1cc(C#N)c(Cl)c(C)c1OCC=O,1,GDB ChEMBL
293845,CNC(=O)N1C(=N)CCCC1COC,1,GDB ChEMBL
252113,CC12CC[NH+](C3CCCC31)C(C)(CN)CC2O,0,GDB ChEMBL
290535,CC1CC=CN(C=O)CC1,1,GDB ChEMBL
44967,CCCCCCC1=CC[NH2+]C1C,0,GDB ChEMBL
143787,CC1C=CC2CC[NH+](C)C2C1,0,GDB ChEMBL
146046,COC1CCCC(=O)NC1=O,1,GDB ChEMBL
23559,[NH3+]CC1NCCN(C=O)C1C[NH3+],0,GDB ChEMBL
333899,CNC(=O)CC12C=CCC1O2,0,GDB ChEMBL
204687,C#Cc1cc(C#C)cc(OCC(C)(C)CC)c1,1,GDB ChEMBL
127006,[NH3+]C(C#CCO)Cc1cc(C(=O)[O-])c[nH]1,0,GDB ChEMBL
290308,O=C([O-])C1NCC2(CO2)C(=O)C1O,0,GDB ChEMBL
157514,CC1CC2[NH2+]CC(O)C1C(C)C2C(C)CCO,0,GDB ChEMBL
215475,CCCC(C)(C)C1C=C2CCCC2C1C,0,GDB ChEMBL
222827,C=CC#CCCCCCCCCC,1,GDB ChEMBL
277957,Cc1nc(O)c2[nH]ncc2n1,1,GDB ChEMBL
389648,CCCC1CC2CCC(C)CCC2(C)C1,0,GDB ChEMBL
258730,CC1=CC(CC#N)C(C(C)[NH3+])C1C(C)C,0,GDB ChEMBL
46872,CCc1cc(Cl)cc2c1C=CC1CC1O2,1,GDB ChEMBL
349520,COCC1(OC)CC([NH+]=C(N)N)CC1C[NH3+],0,GDB ChEMBL
190493,NC(=O)C1NC(COCCO)C(O)CC1[NH3+],0,GDB ChEMBL
97729,CCC(NC)C(C#N)S(=O)(=O)[N-]C(C)=O,0,GDB ChEMBL
84540,Cc1ccnc2c1CCC(O)C2(C[NH3+])C[NH3+],0,GDB ChEMBL
115618,C[NH2+]C(C)(C)C(=O)N1C(=N)OC(C)C(O)C1C,0,GDB ChEMBL
65601,CC(=O)OCC1(O)CN(C)C2C([NH3+])C21,0,GDB ChEMBL
337982,CC1CC2CC([NH3+])C(N)C2[NH+]1C,0,GDB ChEMBL
33166,CCCN=C(N)N(C)S(=O)(=O)C(=O)NC,0,GDB ChEMBL
135838,N#CC1CC2(CO)C3C1OC(=O)N32,0,GDB ChEMBL
147904,COC(CO)C1=CC(=NC(C)C)NC1=O,1,GDB ChEMBL
143821,CC[NH+]1CC#CC=CC(CC=O)CC1,0,GDB ChEMBL
257482,CCc1c(N)[nH+]c(N)c2c1C(O)CN2,0,GDB ChEMBL
330801,CC(=O)c1nc(N)nc(O)c1O,1,GDB ChEMBL
247515,CC1(C#N)CC(OS(N)(=O)=O)C(O)C1O,0,GDB ChEMBL
119693,CC(=O)Nc1c[nH]c(C)c1,1,GDB ChEMBL
103396,OC1C=C2CC3CC4CC4[NH+](CC[NH2+]3)C2C1,0,GDB ChEMBL
209838,COC1C(=O)C(C)=C(C)C1=O,1,GDB ChEMBL
266501,CC1CC2C3c4[nH]ncc4CC23C(=O)N1,0,GDB ChEMBL
385399,CCC1CCOC2CC(O)C1C21CC1,0,GDB ChEMBL
383087,CC1(CCC(N)=O)CN(C(N)=[NH2+])CCS1(=O)=O,0,GDB ChEMBL
252310,CC(C)OCC(O)CCC[NH3+],0,GDB ChEMBL
309648,O=C([O-])C(CO)[NH2+]CC(O)C1OCC(O)C1O,0,GDB ChEMBL
378880,CC[NH+]=C1NCCC1C(O)C1CNCC(=O)O1,0,GDB ChEMBL
18638,CC1C(=O)OC2C(NC(N)=[NH2+])C12,0,GDB ChEMBL
317352,CCCC1C[NH2+]C(C)C2C([NH3+])C12,0,GDB ChEMBL
254881,CC1OC(C[NH3+])C(CO)C1[NH3+],0,GDB ChEMBL
141764,CC1CCC(C#N)C(C)O1,1,GDB ChEMBL
17062,CC(O)C(=O)N(CCCCC=O)C(=N)N,1,GDB ChEMBL
136471,CNC(=O)OCC1(C(O)C[NH3+])CC1O,0,GDB ChEMBL
124744,CC1=CCC(=NO)C2CCCC2OC1=O,0,GDB ChEMBL
89698,CC1(CC(N)C#N)C(O)CCC1(O)C(=O)[O-],0,GDB ChEMBL
177197,C#Cc1ccc(Br)c(C(F)(F)F)c1Br,1,GDB ChEMBL
182941,COC1C(O)CC2[NH2+]CCCC2C1C,0,GDB ChEMBL
54106,CC1C([NH3+])C1C1CCOC(=O)C1,0,GDB ChEMBL
102289,C#Cc1cc(NC2CC2)c(NCC)cc1Cl,1,GDB ChEMBL
386566,CCc1cc(C)ccccc2c(C)c1CC2,0,GDB ChEMBL
203759,N#CCC1COCCC(=O)NC2CC12,0,GDB ChEMBL
230503,CC#CC(C)NC(=N)NC(N)=O,1,GDB ChEMBL
345367,CC(C(=O)NCCO)C(=O)S(=O)(=O)[O-],0,GDB ChEMBL
46057,COC1(CO)C2CN(C)C(=O)NC21,0,GDB ChEMBL
253569,COC(=O)C1C=CCC1C,1,GDB ChEMBL
107059,CC1=C(CC(C)C[NH3+])CCC(C)(C)CC1,0,GDB ChEMBL
303923,[NH-]S(=O)(=O)c1nncc(I)c1OCCC[NH3+],0,GDB ChEMBL
90319,Nc1cc(F)c(F)cc1-c1cc(O)ccn1,1,GDB ChEMBL
383346,C#CC(C#C)N(C=O)CCCO,1,GDB ChEMBL
17033,CC1(C)CCC(C)(O)CCCC(CO)C1,0,GDB ChEMBL
148227,C#Cc1cc(F)c(C(C)(C)C)cc1C,1,GDB ChEMBL
378309,COC1C(C#N)C(C(N)=O)C2NC21CO,0,GDB ChEMBL
354384,CC(=O)OCC1OCC2=CNC(=O)C21,0,GDB ChEMBL
345802,CN1CC2[NH2+]C(C)(C)CCc3c(Cl)ccc1c32,0,GDB ChEMBL
345784,COCCC1=CC(=[NH+]CCN(C)C)NC1,0,GDB ChEMBL
302267,CC(C)C1[NH2+]CCC(C#N)=C1C(N)=O,0,GDB ChEMBL
128289,Cc1[nH]nnc1N1CC2CC1C[NH2+]2,0,GDB ChEMBL
128324,CCC1(C([NH3+])C2CC2)CC1,0,GDB ChEMBL
398169,CCc1cc(F)c(C2CC2CC)c(F)c1F,1,GDB ChEMBL
338992,Cc1ncc(N)n2c(N)cc(NCC(N)=O)c12,0,GDB ChEMBL
15561,CCC1CC2C(CC[NH+]2C)CO1,0,GDB ChEMBL
54838,CCCC(C1CC(C)C(C)(C)C1)n1cccc1,0,GDB ChEMBL
363778,CC(C)CC1C2CC=CC([NH3+])C1(C)CC2,0,GDB ChEMBL
205937,CCCCc1nc(CC[NH2+]C)n(C)c1CC,0,GDB ChEMBL
330934,COC1CC2CC[NH+]3CCCC34C[NH2+]C1C24,0,GDB ChEMBL
247501,NC(=O)C1(N)C(N)C[NH+]2CC(O)CC21,0,GDB ChEMBL
223271,C#CC1CC(CCCCC)([NH2+]CCC)CC1C,0,GDB ChEMBL
325852,CCCOC1CC(C2([NH2+]C)CCCC2)C1=O,0,GDB ChEMBL
203120,N#C[C-](C#N)C1Cc2ccc(C[NH3+])cc2O1,0,GDB ChEMBL
133310,N#Cc1cc(N)n(C(N)=O)c(=O)n1,1,GDB ChEMBL
201379,C#CC1=CC([NH2+]CC)C(C)C(C(C)C)C1,0,GDB ChEMBL
315239,C[NH2+]CC1NC(=[NH2+])NC2C(=O)OC12,0,GDB ChEMBL
383022,C#CC1(CCC)CC(CCC)C(C)C(C)[NH+]1C,0,GDB ChEMBL
61768,NC1C[NH2+]C(C(=O)[O-])C=C1CO,0,GDB ChEMBL
367757,CC(=O)C(O)CCC(=O)[O-],1,GDB ChEMBL
103420,NS(=O)(=O)CC1CC2C(C(O)C[NH3+])N2C1,0,GDB ChEMBL
283407,C#CC1(O)COC1(C)CCCC(=O)OC,0,GDB ChEMBL
65587,CC(O)C1[NH2+]CC2CC(S(N)(=O)=O)OC21,0,GDB ChEMBL
119420,C[NH2+]C1C(C(N)=O)C1(N)C(O)CO,0,GDB ChEMBL
186035,CC(C)CCC1(C(F)(F)F)CCC1,1,GDB ChEMBL
303302,COC(CC#N)C(C)(C)C1C(C)(C)C1(C)C,0,GDB ChEMBL
19636,C[NH2+]CCN=C1OC(=O)C(C[NH3+])C1C,0,GDB ChEMBL
88174,CC(O)C(C(N)=[NH2+])C(C)CO,0,GDB ChEMBL
318536,CCc1cc2c(cc1Br)C(C)CC(CC)C2,1,GDB ChEMBL
33208,CC1C(CO)C2C(C(N)=O)CNC(=O)C12,0,GDB ChEMBL
301161,CC(C)CC1C2C=C(CCCC1(C)C)CC2,0,GDB ChEMBL
203515,CCCOC(N)=NC(CCO)COCCC#N,0,GDB ChEMBL
391480,C[NH2+]CC1C=CCC(OC)CC1,0,GDB ChEMBL
248865,COCC(O)CC1=C(C=O)C(=O)CC1,0,GDB ChEMBL
40932,Cc1cc(CO)c(CO)cn1,1,GDB ChEMBL
99404,CC#Cc1sccnc(O)cc(O)c1C,0,GDB ChEMBL
176511,C#Cc1cc(C(F)(F)F)c(C(C)C)cc1C,1,GDB ChEMBL
281842,C[NH+]1CC(CO)C(=O)NC(C(N)=[NH2+])C1,0,GDB ChEMBL
104353,C#CCOc1c(C#C)c(C)cc(Br)c1C(C)C,1,GDB ChEMBL
98900,CC1=CC(C(C)(C)C)CC1,1,GDB ChEMBL
33249,CC1=CC2(C#CCc3ccccc3)CC2C1,0,GDB ChEMBL
53828,C#CC1(C(=O)NC(=N)N)OCCN=C1N,0,GDB ChEMBL
40262,COC1CC(C)(O)CCOC1C(C)CC=O,0,GDB ChEMBL
160796,CC1C2=CCCC2(C)C2C(=O)OC1C2[NH3+],0,GDB ChEMBL
77061,C[NH2+]C1CN(C)CCC(O)(C#N)C12CCCO2,0,GDB ChEMBL
25160,CCC1[NH+](C)CC(C(=O)[O-])=C(N)C1(N)CC,0,GDB ChEMBL
326480,[NH3+]CCC1(O)COC2C(C(=O)[O-])NC21,0,GDB ChEMBL
320778,C#CC(C)(CCCC)c1c(C)ccc(F)c1F,0,GDB ChEMBL
18831,CC#CC1C(CC)C(C)CN1C(C)=[NH2+],0,GDB ChEMBL
361168,N#CC1C(O)C([NH3+])CC(=O)[N-]S1(=O)=O,0,GDB ChEMBL
200938,CC1OC(C#N)C2C(C1CC(N)=O)N2C,0,GDB ChEMBL
263261,CCCCCC(CC)CC1OCCO1,1,GDB ChEMBL
288124,CCCNC1=[NH+]C2CC2N1,0,GDB ChEMBL
319149,N=C1NC(CN)C(CO)NC2=NCC(=O)N12,0,GDB ChEMBL
171855,NC(=O)C1OCCCCO1,1,GDB ChEMBL
225005,N#CC(O)C(=O)CN1CC(=O)NC(=O)C1,1,GDB ChEMBL
174050,CC(C)OC1C(C)CC([NH3+])C2OCCC12C,0,GDB ChEMBL
252067,CC1CN2CC2(CC(=O)[O-])C1[NH3+],0,GDB ChEMBL
47248,COc1c(C#N)c(C(C)CC(F)(F)F)cn1C,1,GDB ChEMBL
196492,CCC1(O)CCCC(C)C(OC)CC1,1,GDB ChEMBL
284762,NC(=[NH2+])C1C2CN(CC2=O)C1CC(N)=O,0,GDB ChEMBL
366523,CCCn1c(=O)c(C=O)cc2scc(C)c21,1,GDB ChEMBL
169452,NC(=O)C1CS(=O)(=O)CNC(=O)N1,0,GDB ChEMBL
97177,CCCc1c(C)cc(Cl)c(C)c1C,1,GDB ChEMBL
163894,CC1CC(C)C23CCCC([NH2+]C2)C13,0,GDB ChEMBL
159728,CCC(C)[NH+](C)CC1CC(C)C2(C)CC12,0,GDB ChEMBL
21471,CCOC(=O)NC1=CCC2CCC(O)C12[NH3+],0,GDB ChEMBL
38540,Cc1c(I)cc(C#CC2CC2)c(C)c1C,1,GDB ChEMBL
48733,CN1C(C(=O)[O-])C12C[NH2+]C(C(N)=O)C2N,0,GDB ChEMBL
210700,CC#CCC1C(CO)CC(OC)C([NH3+])C1C,0,GDB ChEMBL
129426,CC([NH3+])C(C)C1[NH2+]CCC1C,0,GDB ChEMBL
109522,C[NH2+]CC1(C(N)=O)C[NH2+]C1,0,GDB ChEMBL
29801,CC#CCC1COC(=N)CC(C)NC1=O,1,GDB ChEMBL
398188,N=C1COC2C(CC([NH3+])C2N)C(=O)N1,0,GDB ChEMBL
117336,COC1C2C[NH2+]CC1C(C)C(C)C2,0,GDB ChEMBL
362051,C#Cc1cc(CO)nccc1=NCC,0,GDB ChEMBL
120831,Nc1ncc(N2CC(=O)CC(O)C2)nn1,1,GDB ChEMBL
349965,C#CCC(C#C)CCCC1CCC(CC)CC1,1,GDB ChEMBL
259567,CCC(C)n1nccc1C1CN1C,1,GDB ChEMBL
26428,CCC([NH2+]C)C1NC(=O)c2cc(C(C)[NH3+])[nH]c21,0,GDB ChEMBL
182068,C=C(C)CC(C)C(C)CCCCC,1,GDB ChEMBL
126357,C[NH2+]CCOCC1C([NH3+])C(O)CN1C,0,GDB ChEMBL
395157,CCCCC1CN=C(C=O)OCC1=O,0,GDB ChEMBL
230473,CC1CCC12Cc1cc(F)c(F)cc1C2,1,GDB ChEMBL
249608,CC(C[NH3+])c1nccn1CC([NH3+])CO,0,GDB ChEMBL
242939,CC1=CCC2(CC(=O)[O-])OC(C=C2CO)C1,0,GDB ChEMBL
21490,C[NH2+]CCC1CC(C)[NH+](C)C1C,0,GDB ChEMBL
71720,N#CCC1CC=CC(NC(N)=O)C=CC1,0,GDB ChEMBL
132446,CCn1c(C[NH2+]C)nc(N)c1[N+](=O)[O-],0,GDB ChEMBL
26581,O=CC1C2CC=CC[NH+]1CC2,0,GDB ChEMBL
236610,NC(=O)N1CC([NH3+])CC12CN(CC[NH3+])C2,0,GDB ChEMBL
345518,CN(C)C(=O)C(CC=O)C1CO1,1,GDB ChEMBL
85821,CC1=CC2(CC(CCCCO)C2)OC1=O,0,GDB ChEMBL
20487,CNC(=O)c1nc(C)c(CO)n1S(C)(=O)=O,1,GDB ChEMBL
315247,COC(=O)C(NC=O)C1CC1[NH3+],1,GDB ChEMBL
195514,CC[NH2+]Cc1cn(C(=O)NC(N)=O)nn1,0,GDB ChEMBL
152621,C[NH+]=C(N)NCCNc1cn[nH]c1,0,GDB ChEMBL
184695,CCC(N)C1CC(O)C(C2(C)CC2)[NH2+]1,0,GDB ChEMBL
45098,CC(CO)C1CC1C1C[NH2+]C1,0,GDB ChEMBL
73820,CCC(O)C(=O)c1ncc(CC(=O)[O-])s1,0,GDB ChEMBL
79390,C[NH2+]Cc1cc(N)ncc(N)cc(C(C)[NH3+])s1,0,GDB ChEMBL
204827,Cn1cc2ncsc2c1C(=O)[O-],0,GDB ChEMBL
147413,CC#CC(O)CC1CC1(C#N)C[NH2+]C,0,GDB ChEMBL
304304,[NH3+]CC1C2C3CC[NH+](CC3O)C12,0,GDB ChEMBL
310802,Cn1c(OC2CC2)c[nH+]c1N,0,GDB ChEMBL
281854,CCC(C)CC1(C)CC(O)C(CC(F)(F)F)C1,1,GDB ChEMBL
18821,CC1CC(C(C)C)C(=O)NC(N)=[NH+]1,0,GDB ChEMBL
151167,CC(=O)c1ncoc1C(N)=O,1,GDB ChEMBL
84548,NS(=O)(=O)C1COC(=O)C1CC(=O)[O-],0,GDB ChEMBL
277822,NC(=O)CC12CC(C(=O)[O-])(CO1)NC2=O,0,GDB ChEMBL
238598,CC1[NH2+]C(CO)C(CO)OC12CC2,0,GDB ChEMBL
136079,CC=CC(=O)CC(C)(C=CC)OC,1,GDB ChEMBL
194753,CCC(C)CCCCCC#CC#N,1,GDB ChEMBL
101872,O=C1OC2C[NH2+]C(CO)C(O1)C(O)C2C(=O)[O-],0,GDB ChEMBL
246425,N#CC1C(CC[NH3+])C1(N)C(=O)NC(N)=O,0,GDB ChEMBL
375135,COC(C)CNc1ncc(C#CC2CC2)o1,1,GDB ChEMBL
258255,C#CC(C#N)NCC(O)CO,1,GDB ChEMBL
40228,CC(C)OC(=O)Nc1cc(Cl)ccc1Cl,1,GDB ChEMBL
262290,CS(=O)(=O)N(C=O)CC(C#N)NCCC(=O)[O-],1,GDB ChEMBL
378262,CCc1c(Br)cc(CC2C[NH2+]2)c(C)c1C,0,GDB ChEMBL
182543,C#CC1C=C(CC(C)CCCC)C(C)C1,0,GDB ChEMBL
22017,CC[NH+](C)C(C)C12CC(C1)[NH2+]C2C,0,GDB ChEMBL
348640,CNC(=N)c1nc(N)cnc1C(N)=O,1,GDB ChEMBL
233891,Cc1ccccc1CC(C)C(C)C1CCCC1,1,GDB ChEMBL
81135,CCNC(=O)C1C(O)C2C(CN1C)NS2(=O)=O,0,GDB ChEMBL
206965,CC(CCO)CCCC#N,1,GDB ChEMBL
330380,C#Cc1c(C)c(Br)cc(CC)c1C(F)(F)F,1,GDB ChEMBL
174240,C#CCc1cc(Br)cnc1O,1,GDB ChEMBL
354813,CCC(COCCCC1CC1)OC=N,1,GDB ChEMBL
358214,O=C1C=Cc2nccc(Br)c21,1,GDB ChEMBL
292979,CCC([NH3+])C(OC)C(N)C#N,1,GDB ChEMBL
115012,COC(=O)C(C)N=COCC(=O)[O-],1,GDB ChEMBL
191372,C=Cc1ccc(N)c(C[NH2+]C)c1F,0,GDB ChEMBL
24721,C=C1C2CC(CCCC)C1C2(C)C,0,GDB ChEMBL
46936,CC1CN2CC(=O)OC1C(C#N)C(=NO)C2,0,GDB ChEMBL
77383,CC1CC#Cc2cc[nH]c2C[NH2+]CC1,0,GDB ChEMBL
299700,CC1CNC(N)=[NH+]C1C=O,0,GDB ChEMBL
152037,CCC12COCC(C)=CC(C(O)C1)C(O)C2,0,GDB ChEMBL
18832,CCC1CC2C=C(CO)C1C2,0,GDB ChEMBL
51051,CC1(C(N)=O)NC1CS(N)(=O)=O,0,GDB ChEMBL
389452,[NH3+]C1CCC(=O)OC2COC12,0,GDB ChEMBL
151179,NC(=O)CCCn1nncc1N,1,GDB ChEMBL
392783,C[NH2+]C12CN3CC(C)CC3C1C(=O)C(C)(C)C2,0,GDB ChEMBL
277663,CCOc1c(C)cnc2c1C1CNC2COC1,0,GDB ChEMBL
171301,C#Cc1cccc(CC)c1CC(C)CC(C)C,1,GDB ChEMBL
362565,C#CC1=C(C)CCOCC[NH2+]C1,0,GDB ChEMBL
380585,N#CC1CCOC(CO)C2CC12,0,GDB ChEMBL
236638,CC=CCC1=CC(CCCC)CC1,1,GDB ChEMBL
304829,Cc1c(C(F)(F)F)cc2occc2c1O,1,GDB ChEMBL
378089,NC(=[NH2+])N1C(CS(N)(=O)=O)C1C(=O)[O-],0,GDB ChEMBL
140876,C[NH2+]C1CC=CC(C)C(C)C1C,0,GDB ChEMBL
70048,CC1=CCCC2C(C)C[NH2+]CC2C=C1,0,GDB ChEMBL
40440,Fc1cc2ccc1CCC=C1CCC1C#C2,1,GDB ChEMBL
214762,CNC(=O)CCCOS(=O)(=O)NC=N,0,GDB ChEMBL
299945,CCC1CCC(c2ncc(C(N)=O)s2)C1=NO,1,GDB ChEMBL
300128,C[NH2+]C1C2OC(C(N)=O)C1OC2C,0,GDB ChEMBL
227771,COc1scc(C(N)=[NH2+])c1NC(N)=O,0,GDB ChEMBL
318104,COCC(CC#N)C(=O)C=O,1,GDB ChEMBL
272506,COC1CC(C)(C)CC1(C)CC(F)(F)F,1,GDB ChEMBL
40418,[NH2+]=c1ccncc(CNCC[NH3+])c1[O-],0,GDB ChEMBL
71476,Clc1ccc2c(c1Cl)CC1(CC1)NC=[NH+]2,0,GDB ChEMBL
281797,CC1CC2CC3(CC3)C1[NH2+]2,0,GDB ChEMBL
205760,CC1(O)CC(=[NH2+])NCC1C(N)=O,0,GDB ChEMBL
390486,CC12C([NH3+])C(NS1(=O)=O)C(CC(=O)[O-])C2O,0,GDB ChEMBL
48132,O=C([O-])Cn1cnnc1,1,GDB ChEMBL
227545,CCC([NH2+]C)c1c(C)ccn1C,0,GDB ChEMBL
9703,CC#CCCC(O)C(C#N)(C=O)C(C)=O,1,GDB ChEMBL
35698,[NH3+]C12C3CC(=O)NCC1S(=O)(=O)NC32,0,GDB ChEMBL
383962,COC(=O)C1(O)CC([NH3+])C(O)C1O,0,GDB ChEMBL
395645,CC(C)C(=O)OCC1[NH2+]CCCC1O,0,GDB ChEMBL
71466,Cc1cncccoc(CC2CC2)c1C#N,0,GDB ChEMBL
47756,O=c1cc2occc2c[nH]1,1,GDB ChEMBL
283981,COCCC1CC=CC1O,1,GDB ChEMBL
99584,C[NH2+]C1CNC(C)C2C([NH3+])C2(CO)C1,0,GDB ChEMBL
307564,CC(O)C([NH3+])C1C=CCC(C)(C[NH3+])CCC1,0,GDB ChEMBL
45988,C=CC(C[NH3+])CCCC(C)C1CC1,0,GDB ChEMBL
214430,CN1CC(C[NH3+])CS1(=O)=O,1,GDB ChEMBL
29234,Nc1scnc1CCCCC(=O)C(=O)CCO,0,GDB ChEMBL
334658,CCCC1CC2(C)CC3CC2C1O3,0,GDB ChEMBL
325272,CCNC(=[NH2+])OCCC[NH3+],0,GDB ChEMBL
283272,CCCC[NH+]1CCCC(C)(OC(=O)C#N)C1,0,GDB ChEMBL
380345,CCC1CC2N(C(=O)C[NH3+])CCC2(OC)O1,0,GDB ChEMBL
205974,CC(=O)NCC(C)([NH3+])C(N)=O,1,GDB ChEMBL
27797,CCC1NS(=O)(=O)C2C(O)C12C#N,0,GDB ChEMBL
390072,CCCc1nn2c(c1OC)C(=O)C=CC2,0,GDB ChEMBL
244441,CC1CCC2(C)C(CN)[NH2+]C1C(O)C2O,0,GDB ChEMBL
132723,C[NH2+]C(C)C#CCCNC(=[NH2+])CC(N)=O,0,GDB ChEMBL
354385,CNC(=O)CC(O)C[NH+]=C1CC(CCO)N1,0,GDB ChEMBL
341300,CCOCc1c(C)c(N)n(C)c1C,1,GDB ChEMBL
11199,CCCC1(C)OC2CCCC([NH3+])C1C2,0,GDB ChEMBL
43571,NC(=O)C1(OS(N)(=O)=O)CC[NH2+]C1,0,GDB ChEMBL
5329,C#CC1(CO)CC(CCC)C([NH3+])C1CC,0,GDB ChEMBL
106019,CCCCC(=O)OCCC#N,1,GDB ChEMBL
242622,CCC1CC2C[NH2+]C(C=O)C2C1,0,GDB ChEMBL
65921,CC1CC(N)C(C2(C)NC(=O)CC2O)[NH2+]1,0,GDB ChEMBL
312863,O=C1[N-]S(=O)(=O)CCCNC(=O)N1,0,GDB ChEMBL
218541,CC1CC2(COC2)[NH+](C)C12CC2,0,GDB ChEMBL
117304,CCCC1CCC2CCCC1[NH+](CC)C2(C)C,0,GDB ChEMBL
31316,N#CC(O)c1ccc(Cl)c(N)c1,1,GDB ChEMBL
182070,Cc1c(Cl)cc2c3c1C1(O)CC1C3CO2,0,GDB ChEMBL
42574,N#CC1CC(O)C(C(=O)[O-])N1,0,GDB ChEMBL
191308,CCCCC([NH3+])(CN)c1ccc(F)c(F)c1C,0,GDB ChEMBL
133965,CC1(C)CC([NH3+])CC(C(O)C2CC2)C(=O)N1,0,GDB ChEMBL
261385,C[NH2+]C1COC2C3CC1C2CC3C,0,GDB ChEMBL
369900,N=C(N)c1nnn2c1C(=O)NCC2,1,GDB ChEMBL
211153,C#CCC(C(C)COC)C(C)C(C)C#N,0,GDB ChEMBL
47509,COCC(O)C1Cc2conc2N(C)C1CO,0,GDB ChEMBL
38623,NCC(=O)OC1(C[NH3+])CCCCC1,0,GDB ChEMBL
95532,C#CCC(C)CC(C)(C)CCC(C)(C)CCC,0,GDB ChEMBL
35477,CCC1(O)C2C([NH3+])CC[NH+](C)CC21N,0,GDB ChEMBL
190224,O=CCC(=O)OCCS(=O)(=O)CCNC=O,1,GDB ChEMBL
76515,C[NH2+]C1CC(=O)CC1C1C[NH2+]C1,0,GDB ChEMBL
375531,CCc1c(C)c(C2CN2C)c2n1CCCC2,0,GDB ChEMBL
302424,CCC1CC2CC[NH2+]C(C(C)O)(CC2)C1,0,GDB ChEMBL
274647,CC[NH+](C)C1(C#CCCC2CCCC2)CC1,0,GDB ChEMBL
54836,CC1C(C(=O)[O-])C(=O)N(C)S1(=O)=O,0,GDB ChEMBL
115989,CC1(C2CC=CCCC2)C[NH2+]C1,0,GDB ChEMBL
55550,CNC(=O)C(O)C(=O)N1CCNC1=N,1,GDB ChEMBL
281036,CC1=CC=CCCCCC1O,1,GDB ChEMBL
120357,COc1c(CO)cn(C(=O)OCC(N)=O)c1O,1,GDB ChEMBL
67616,COC1C2C(O)C(=O)N(C)C12,0,GDB ChEMBL
180827,C=CCCC(CCCC)C[NH2+]CC,0,GDB ChEMBL
147539,C#CCc1ccc(=O)n(C(=O)CCC#N)c1C,0,GDB ChEMBL
217060,C#CCC(C)(CC)C(COC)c1ccncc1,0,GDB ChEMBL
216140,CCCOC(CC)C(C[NH3+])C1(C)CCC1,0,GDB ChEMBL
351318,O=C1NC(C(O)C(O)C(=O)[O-])CO1,0,GDB ChEMBL
345781,CNc1nccsc(N)c(O)c(C=O)c1C,0,GDB ChEMBL
383748,CCC1C2CC(C)(C)C1C(C(C)C)CO2,0,GDB ChEMBL
6120,CC([NH2+]C1C(C(=O)[O-])C1C(C)[NH3+])C(N)=O,0,GDB ChEMBL
27947,CC1CCC2OC2CC2C[NH2+]C(C2)C(C)C1,0,GDB ChEMBL
325900,NC(=O)C(=O)CCC1CCNC(=O)N1,0,GDB ChEMBL
243958,CN1CC([NH3+])COC(=N)C1C#N,0,GDB ChEMBL
277456,CC1CC[NH2+]C2CC(C)C(C)NC(C1)C2=O,0,GDB ChEMBL
44692,CC#CC1(O)CC2CC(C1)[NH2+]C1CC1C2,0,GDB ChEMBL
238602,CCOCC([NH3+])C1C2CC(O)C1CO2,0,GDB ChEMBL
338582,COC1CC2CC(O)C1[NH+]2C,0,GDB ChEMBL
338983,C#Cc1c(C)c(CCC)c(Br)c(C(C)C)c1C,1,GDB ChEMBL
182473,COC1C([NH3+])CC2C(=O)OC1C2O,1,GDB ChEMBL
338613,C#CC1CC([NH2+]C)CCCC1C,0,GDB ChEMBL
348452,Cc1ccc(F)c(OCC(F)(F)F)c1,1,GDB ChEMBL
16536,CC1CCCC[NH2+]C2(C)CC=CCC=CC12,0,GDB ChEMBL
36177,CCC(=CC1([NH+](C)C)CC1)C[NH2+]C,0,GDB ChEMBL
310160,CCCCC(C)(C)CC1CC1C(F)(F)F,1,GDB ChEMBL
375488,NC12COC1CC1CC1NC2=O,0,GDB ChEMBL
385966,CCNC(=O)C([NH+]=CN)C(O)CCC[NH2+]C,0,GDB ChEMBL
380622,CCC1(C)CC([NH2+]CCc2cc(C)cs2)C1,0,GDB ChEMBL
274254,CCC(C#CC(C)C)C(F)(F)F,1,GDB ChEMBL
86741,COC1OC(=O)C2CC1OC(C[NH3+])C(=O)N2C,0,GDB ChEMBL
28999,N#CCC12CC(C1)C(C[NH3+])C2CC(=O)[O-],0,GDB ChEMBL
118881,C#Cc1nn(C)cc1CC[NH+](C)CCC(C)C,0,GDB ChEMBL
310128,CC(OC1CCN(C)S(=O)(=O)C1)C(=O)[O-],0,GDB ChEMBL
397068,C#CC[NH+](C)C1(CCO)CC(CC)CC1(C)C,0,GDB ChEMBL
354007,CC(O)CCCC(C)(C)C(=O)c1ncccn1,0,GDB ChEMBL
186705,COC1C2C(=O)NCC(O)C1C2=O,1,GDB ChEMBL
208283,C#Cc1cc(F)ccc1C1(C)CC(C)C1,1,GDB ChEMBL
25237,CC1OC2(CCOC(CO)C2)C(C)C1O,0,GDB ChEMBL
194258,CCc1cc(O)ncc1O,1,GDB ChEMBL
31819,CCC1(C(OC)C(C)(C)C[NH3+])C[NH2+]CCCO1,0,GDB ChEMBL
188503,CCC[NH2+]C1(C(=NO)C(=O)[O-])CC1,1,GDB ChEMBL
252070,N#CC1CC(C(=O)[O-])=C(C(N)=O)N1,0,GDB ChEMBL
40325,O=CNCC1OC1Cn1cncn1,1,GDB ChEMBL
302642,COC1(C)C[NH2+]C(C2CCCC2)C1O,0,GDB ChEMBL
394229,C#CCC(C)CCCc1ccc(Cl)cc1,1,GDB ChEMBL
156028,CC(O)C(NCCCO)C(=[NH2+])NC(N)=[NH2+],0,GDB ChEMBL
127772,CC1N=C2NC(=O)C(CO)NC(=O)C1(CN)N2,0,GDB ChEMBL
235559,CC1OC2OC(=O)C1C1NC(=[NH2+])OC1C2O,0,GDB ChEMBL
23619,COCCNc1noc([O-])n1,0,GDB ChEMBL
42556,C#CCCCCCC(C)CC(C)[NH2+]C,0,GDB ChEMBL
263182,C#CCCc1c(I)cc(C)c(CCO)c1CC,1,GDB ChEMBL
289962,[NH3+]CC1COC(=O)C(O)C1[NH3+],0,GDB ChEMBL
245824,CCC[NH+]1CC=C(C)C=CC(C)(C)C1,0,GDB ChEMBL
157699,C#CC(C)c1cc(C)ncc1C(CC)CCC,0,GDB ChEMBL
200713,CC1C(C)C(N)(C([NH3+])C(O)CO)C[NH+]1C,0,GDB ChEMBL
173152,C#CC1=CC(C2C3C[NH+](C)C(C)C32)CCC1,0,GDB ChEMBL
393929,C[NH2+]CC(C(N)=O)C1NC(C)(C#N)C1O,0,GDB ChEMBL
322819,CN1CC[NH2+]CCCNC2(COCC2=O)C1,0,GDB ChEMBL
124884,CCC1C2CC(C2)C1CCO,1,GDB ChEMBL
75038,C#CCCN(C)C(CNC=O)C(C)(C)[NH3+],0,GDB ChEMBL
4832,CCC1CC(OC)CCC1C1CCCC1C,0,GDB ChEMBL
242938,NC1(C(=O)[O-])CNC(=[NH2+])C(O)C1,0,GDB ChEMBL
103510,CCC1CCC2CC(C)CC2(C)CC1,0,GDB ChEMBL
287317,C#CCCCC=C1CCCCC1C,1,GDB ChEMBL
124880,CCn1ccc2c1COC2,1,GDB ChEMBL
107649,CC(C)C12Cc3ccccc3CC(CC1C)C2,1,GDB ChEMBL
146964,CCN1C(=O)CC(C)(C)N2CCC(C[NH3+])N=C12,0,GDB ChEMBL
127479,CCOC1OC(C)(C[NH3+])C(C)C1O,0,GDB ChEMBL
148872,CCC([NH3+])CC1C2C=CC1O2,0,GDB ChEMBL
181524,CS(=O)(=O)CC1NC1(CO)C(N)=O,0,GDB ChEMBL
183430,C#CC(C)C1C[NH+](C)C(C)C(N)CC1C,0,GDB ChEMBL
350699,CCC1CCC2CCC1(C(F)(F)F)C2,0,GDB ChEMBL
277762,CCC1C(=O)CCCCC1(O)COC(C)=O,0,GDB ChEMBL
204561,OCCCC1=CC=C2CCC[NH2+]C12,0,GDB ChEMBL
328844,NS(=O)(=O)C1(CCCC(=O)[O-])NC1C[NH3+],0,GDB ChEMBL
58995,CC(C(=O)[O-])N(C)C(C(O)C#N)C(C#N)CO,0,GDB ChEMBL
204466,C=C1CCC2CC(CC)C(OC)C12,1,GDB ChEMBL
67861,CCCCc1c(Cl)c(C)n(C)c(=[NH2+])c1[O-],1,GDB ChEMBL
304290,CC1(CC[NH3+])[NH2+]CC2C(C([NH3+])C(N)=O)C21,0,GDB ChEMBL
181742,CC(=O)N1C(CO)C(=O)CCCC1(C)C,0,GDB ChEMBL
81759,CC1CC(=O)C2(C)C(C(=O)O1)C2[NH+](C)C,0,GDB ChEMBL
153340,CC(=CCC(C)[NH3+])C1CCCCC1,1,GDB ChEMBL
350718,CCCC[NH2+]CC(C)O,0,GDB ChEMBL
362680,CC(C(N)=O)N(C)C(C)(C=O)CO,1,GDB ChEMBL
210958,CC1C(C)C2CC1C(C)[NH+](C)C2C,0,GDB ChEMBL
209826,CCOCC(OC1C(=O)NCC1C)C(C)CO,0,GDB ChEMBL
246817,CCCc1ccc(N)c2cc(I)c(C)c(C)c12,1,GDB ChEMBL
225029,CC(=O)OC1C(C#N)NC=NC(C)C1C,0,GDB ChEMBL
243760,NC1C[NH2+]C2C1OC1(C(=O)[O-])CC21,0,GDB ChEMBL
386527,CC[NH+]1CCNC(C(C)(C)C)C(C)(C#N)CC1,0,GDB ChEMBL
331724,CCOC1C=C(C#N)CC[NH2+]C(C)C1,0,GDB ChEMBL
369905,C#Cc1cc(C#CCC2CC2)cnc1F,1,GDB ChEMBL
222542,CCC12CC(C)C3(CCCC3)C1CCC2OC,0,GDB ChEMBL
304018,CC(C)(O)C([NH+]=CN)C(C#N)CCO,0,GDB ChEMBL
278151,COCC1CCCC2C(C1C)[NH+]2C,0,GDB ChEMBL
45724,CCCCC1C(C)c2c(C)cccc2C1(C)C,0,GDB ChEMBL
249406,CC1CC(C([NH3+])CO)C2CC(C#N)C1C2O,0,GDB ChEMBL
202514,CC=C1CCCC2(C)C(C)CCC12,1,GDB ChEMBL
338971,CNc1c(I)cccc1C1C([NH3+])CC([NH3+])C1O,0,GDB ChEMBL
225009,C[NH2+]CC(=O)CC#CC1[NH2+]C(C)CC1O,0,GDB ChEMBL
348836,CCC(CCC[NH3+])C1CCCC1,0,GDB ChEMBL
156792,CC1=CC2(CC(C)C(C)C2)C[NH+](C)C1,0,GDB ChEMBL
263998,COCCC12CN1C(=[NH2+])NCCC2O,0,GDB ChEMBL
191681,C=C1CCC(C[NH3+])C(C)CCC1O,0,GDB ChEMBL
225409,CC1OCC[NH2+]CC(O)C([NH3+])CC(O)C1O,0,GDB ChEMBL
26608,[NH3+]CC1=CCC(CO)[NH2+]C1,0,GDB ChEMBL
366885,O=C(CC1CNC=[NH+]C1)Cn1cccn1,0,GDB ChEMBL
204656,C[NH2+]CCCCC1C2C[NH2+]C1C(C)C2,0,GDB ChEMBL
274182,C[NH+]1CC=CC[NH2+]CC(C)(N)C1,0,GDB ChEMBL
309852,CCN1CC(N)C2(C#N)CC12,0,GDB ChEMBL
216472,CC([NH3+])C(C)C1C(C)C1[NH+](C)CC(O)CO,0,GDB ChEMBL
366061,C1CCC[NH+]2C3CCC2C(CC1)C3,0,GDB ChEMBL
114808,CC(C(=O)[O-])N(C)c1c(O)ncc(CO)c1O,0,GDB ChEMBL
37147,CC=C(CC1OCCC1C)C(N)=O,0,GDB ChEMBL
34705,C=CC1CC(C)C2C(NC)C[NH2+]C12,0,GDB ChEMBL
236612,CC1C#CC(O)(CCC[NH3+])COCC=C1,0,GDB ChEMBL
330144,NC1C([NH3+])C1CNC(=[NH2+])NCC1CC1,0,GDB ChEMBL
77010,CCC1OC(=O)C2(O)C([NH3+])C12CCO,0,GDB ChEMBL
249587,CNC(=O)OC1C(O)C2OC2C1O,1,GDB ChEMBL
280315,CN=C1OC(=O)CN(C=O)C(=N)NC1C,1,GDB ChEMBL
385962,C[NH2+]CCc1nc(=O)c(CCO)c(O)[n-]1,1,GDB ChEMBL
379219,CC1CCC2(C)CCCC(C)CC2C(C)C1,0,GDB ChEMBL
9981,O=C1NCCC2CCC12O,1,GDB ChEMBL
95538,CCC(CC)c1cc(Cl)c(CC(F)(F)F)cn1,1,GDB ChEMBL
379680,CCC1[NH2+]C2C(O)C2C1(N)COC(C)=O,0,GDB ChEMBL
317334,Cn1cnc(N)c1C1(C)C=CNC(=O)NC1,0,GDB ChEMBL
289963,CC(=O)C1C(C)=CC[NH+]1C,0,GDB ChEMBL
291866,CC1CCCC(C)(C2C=CCC2)C1,0,GDB ChEMBL
225194,NS(=O)(=O)OC1C(O)CC2CCC([NH2+]2)C1O,0,GDB ChEMBL
156143,CCC1(C)CN2CCCCCOCCN1C2=[NH2+],0,GDB ChEMBL
169101,COC(CO)C1NC(=O)CNC2C(=[NH2+])NC21,0,GDB ChEMBL
118125,CC1CCC(C=O)[NH+]2CC1C(C)(C)C2,0,GDB ChEMBL
91171,COCC(C#N)NC1CC(C[NH3+])CC1O,0,GDB ChEMBL
146065,CC1(C)C2CCC=CC21c1ccccc1Cl,0,GDB ChEMBL
368500,CCC1CC2n3cccc3CC12C,0,GDB ChEMBL
40871,CC(c1nnn(C)n1)N(C)CC=O,1,GDB ChEMBL
299964,NC(=O)N1C2COC(C(=O)[O-])CC21,0,GDB ChEMBL
203512,N#CC1C(C(=O)[O-])CC1(N)C([NH3+])CC(N)=O,0,GDB ChEMBL
127460,CC1CC2(C)CCCC1C21COC1,0,GDB ChEMBL
83140,C[NH2+]Cc1nc2c(C)cc(O)cc2[nH]c1=N,0,GDB ChEMBL
200614,CCCC(O)C1C2OC2CC1(C)C(C)C,1,GDB ChEMBL
330794,[NH3+]C(C(=O)[O-])C1Cc2ncc(Cl)c(CO)c2C1,0,GDB ChEMBL
173704,CC(O)CC1CC(C)C(=NO)CO1,1,GDB ChEMBL
1105,Cc1cccc(C23CC=CC2CC(C)C3)c1,0,GDB ChEMBL
71689,CC12C=CC(C(=O)[O-])C(COC1)[NH2+]2,0,GDB ChEMBL
285704,CC1COC2OCCC2CC(O)C[NH2+]1,0,GDB ChEMBL
358940,CC1OC(CCCC(C#N)CO)CC2CC21,0,GDB ChEMBL
157433,CN1C(CCO)C1(C#N)CO,0,GDB ChEMBL
235497,CN=C(C)N(C=O)C(C)C1CC(C(=O)[O-])CO1,0,GDB ChEMBL
144633,COc1cnc(N)nc(=NCCO)n1,0,GDB ChEMBL
45043,CC1C2COC3CC(C[NH2+]2)C1C3,0,GDB ChEMBL
380389,O=C1OCCC2(O)CN(c3ccncn3)C12,0,GDB ChEMBL
148816,CCCCC1C2C(C)=CC(C2C)C1(C)C,0,GDB ChEMBL
235555,FC(F)(F)C(C1CCCC1)C1CCO1,1,GDB ChEMBL
214392,C[NH2+]CC1OC(=O)C(CO)C1(N)C(=O)[O-],0,GDB ChEMBL
84906,Cn1cc(C#N)cc(C[NH3+])oc(O)cc1=O,0,GDB ChEMBL
175525,Cc1cc(Br)cc(C)c1C1(C(C)C)CC1C,1,GDB ChEMBL
153684,CC1CC(CCS(N)(=O)=O)(OC(N)=O)C1O,0,GDB ChEMBL
185963,NC(=[NH2+])NCC(C[NH3+])n1cnc(N)n1,0,GDB ChEMBL
232111,N#CC(N)(C(N)=O)C1(CC[NH3+])CO1,0,GDB ChEMBL
149320,[NH3+]CC1(C(=O)[O-])NC2COC1C(O)C2O,0,GDB ChEMBL
24539,CCN1CC(C)(C[NH+]=C(N)N)[NH+]=C1CCC[NH3+],0,GDB ChEMBL
331160,CC(C(N)=[NH2+])C1CCc2cnnn2CC1,0,GDB ChEMBL
248227,CNC(=O)C(O)C#CC(O)(C(=N)N)C(=O)[O-],0,GDB ChEMBL
78631,O=CC1C2C[NH2+]CCCCn3ncnc3N12,0,GDB ChEMBL
243393,CCC[NH2+]C(COC1CNC1=[NH2+])C(=O)CO,0,GDB ChEMBL
148517,CC1(C(N)=O)C2C[NH2+]CC(CO)CN21,0,GDB ChEMBL
174929,CC1(C)CC(O)C([NH3+])C1(O)CC(N)=O,0,GDB ChEMBL
204198,NS(=O)(=O)CC1OCC1C(=O)[O-],0,GDB ChEMBL
140274,C#CC(CC(C)C)C1C=CCC1C(C)O,0,GDB ChEMBL
338957,CCOC(=N)C(C)(O)C(C)C(=O)C(=O)NC,1,GDB ChEMBL
204613,CC(=O)NCC(C[NH3+])C1([NH3+])CC1O,0,GDB ChEMBL
313748,CC#CCOCC(C)C1CCCC1C,1,GDB ChEMBL
156772,CC1(C)CCC(=O)N1,1,GDB ChEMBL
126879,N=C(C=O)Oc1cccc(Cl)c1,1,GDB ChEMBL
354090,COC1CC([NH3+])C(NC=O)CO1,0,GDB ChEMBL
222848,C#CC1CCC(C)([NH3+])CCCCC(CCO)C1,0,GDB ChEMBL
348483,CCC1C2CCC1C1(CC1)C(C)C(OC)C2,0,GDB ChEMBL
375700,O=C1CC2C=C(C[NH2+]CCO)CC2C1,0,GDB ChEMBL
157441,N#CC1C2CN3CCC2C(CO)C13,0,GDB ChEMBL
380376,C#CC(CC)C1CC(C)(C)c2cccc(F)c21,0,GDB ChEMBL
223560,CCCCCCN=C1NCC(C)(C)O1,0,GDB ChEMBL
104671,N#CC(N)CCc1csc(C(=O)[O-])n1,0,GDB ChEMBL
296983,CC#CC1(O)C(=O)NCC([NH3+])C1C(C)O,0,GDB ChEMBL
29664,C[NH2+]CC(C)NC1COC(C#N)C(C)N(C)C1,0,GDB ChEMBL
64116,CC1CC2CC(CO2)Cc2cc(Cl)cnc21,0,GDB ChEMBL
191357,[NH3+]CC1OC(=O)C2(CO)OC12,0,GDB ChEMBL
249432,COCC1CC(O)(CO)C[NH2+]1,1,GDB ChEMBL
13832,CCNC(N)=[NH+]C1CCC([NH2+]CCO)C1,0,GDB ChEMBL
385658,CC#CC1OC1CC(=O)[O-],1,GDB ChEMBL
180035,CC#CCC(O)C[NH2+]CC,0,GDB ChEMBL
40000,CN1CC(C[NH3+])C2CC[NH2+]C2C1,0,GDB ChEMBL
84232,C#CC1CCCC(CC#N)C(CC)OC1C[NH3+],0,GDB ChEMBL
274143,CC(C)(C)C1C2CCCCC1C1CC(CO1)C2,0,GDB ChEMBL
21734,CCOCCC12C[NH+](CC1O)C2,0,GDB ChEMBL
81555,OC1CC2C=CC1CC[NH2+]2,0,GDB ChEMBL
76378,CCCN=CN(C(=O)NC)C(C)C[NH3+],0,GDB ChEMBL
143471,CC1=CC2(C)CC([NH3+])C(CC1)C(CO)C2,0,GDB ChEMBL
334016,CCc1c(O)cc(C)ccc1=[NH2+],0,GDB ChEMBL
13176,C=CC1CCCC(C)CC(C)C1O,1,GDB ChEMBL
292568,Cc1cc(N)cccsc(C)n1,0,GDB ChEMBL
220186,C#CCC1CCC(C)(O)C1,1,GDB ChEMBL
288104,CCCNC(=O)NC(=O)C1CO1,1,GDB ChEMBL
4814,CCc1c(C)cc(Br)nc1C(C)C(C)(C)[NH2+]C,0,GDB ChEMBL
127862,CCN1C(=O)CC(C2CC2(C)C)CC1=O,1,GDB ChEMBL
140359,CCCCC1C=CCCC=C1C1CC1,1,GDB ChEMBL
234223,C#CC[NH+](C)C(CCCC#N)CCOC=O,0,GDB ChEMBL
264982,COCCC(O)C(OCC(C)(C)[NH3+])C1CN1,0,GDB ChEMBL
53272,CC12C(N)C(NC(N)=[NH2+])CN1C2C(=O)[O-],0,GDB ChEMBL
171344,COC(=O)c1ncncc1O,1,GDB ChEMBL
271018,CNC(=O)C(N)(CO)C1(O)C(O)CC1O,0,GDB ChEMBL
271351,C#Cc1ccc(N)nc1Cl,1,GDB ChEMBL
120500,C[NH2+]C1C[N-]C(=O)N(S(C)(=O)=O)C1=O,1,GDB ChEMBL
235580,O=C1NCC[NH+]2CC3CC12C3,0,GDB ChEMBL
208268,CC(=O)N1C=NC(C)(CCO)C([NH3+])C(O)C1,0,GDB ChEMBL
348843,CS(=O)(=O)CCCC(=O)N(C=N)C1CCC1,1,GDB ChEMBL
387105,CC1CC(CCCO)CC12CN2C(N)=O,0,GDB ChEMBL
35438,CNC(=O)C(O)(C(O)C#N)C(O)C(=O)[O-],0,GDB ChEMBL
273817,CN1C(C)(CO)C1(CS(N)(=O)=O)C(=O)[O-],0,GDB ChEMBL
177132,CCCCC1CC=CC=C(C)CC1,1,GDB ChEMBL
311341,CCC(C)OC(C)C1(CC(C)(C)C)CC1,1,GDB ChEMBL
150097,NC(=O)C12C([NH3+])CC(OCC1O)C2O,0,GDB ChEMBL
2114,CCCC(O)(CNC(=N)C#N)C([NH3+])COC,0,GDB ChEMBL
196477,CCC1(CC)[NH2+]CC(C)(C)C1C#N,0,GDB ChEMBL
339120,CCC1CC(C)NC(=[NH2+])NC(=N)O1,0,GDB ChEMBL
393926,C[NH2+]C(CC(N)=O)C(O)C(C[NH3+])(C[NH3+])NC=O,0,GDB ChEMBL
334668,CC(=CC(N)C#N)C(CO)C(C)C,1,GDB ChEMBL
217671,CNC1C(C=O)NCC(C(N)=O)C1C#N,0,GDB ChEMBL
362971,Cc1c[nH]cc1COC(=O)C(C)N,1,GDB ChEMBL
208255,CCC(C#N)NC1(C)CCC(=O)OCC1(C)O,0,GDB ChEMBL
366619,C[NH2+]C1(C)COC(=O)C1(C)O,0,GDB ChEMBL
22626,CNC1CC(C)(O)C2C(C)C[NH2+]C12,0,GDB ChEMBL
18863,N#CC1C(=O)[N-]C(C[NH3+])C(O)C(O)C(O)C1O,0,GDB ChEMBL
248672,C#CC(CC(C)(C)OC)c1ccn(C)c1NC,0,GDB ChEMBL
332437,NC(=O)CCCNc1nc(N)co1,1,GDB ChEMBL
48713,CC1CCC2(C(C[NH3+])C(N)=O)C(O)C2(C)[NH2+]1,0,GDB ChEMBL
114354,CCOC1CC(C)([NH3+])CC1[NH+]=C(C)N(C)C,0,GDB ChEMBL
197190,C#CCn1cc(N)c(O)c(F)c1=O,1,GDB ChEMBL
358527,Cc1cc(OCC(C)([NH3+])C2CO2)nc(N)n1,1,GDB ChEMBL
245487,COC1CC[NH+](C)C2CC(C)(O1)C(=O)C2(C)C,0,GDB ChEMBL
385449,OCCC1OC1C1[NH2+]CC2CC21,0,GDB ChEMBL
31750,CCCC(=O)c1cc(I)nc(NC)c1,1,GDB ChEMBL
298229,N#CCC(=O)NC(=O)C1C(O)C(O)C1O,0,GDB ChEMBL
225172,NS(=O)(=O)C=CC(CO)NC(=O)CO,0,GDB ChEMBL
11259,CC1NC1C(O)C(=O)NCCNC(N)=O,0,GDB ChEMBL
220180,CCCC1(C)C(C)C[NH+]2CCC1([NH+](C)C)CC2,0,GDB ChEMBL
216522,C#CC(CCCC)C1(C)CCC2(CC2)C1,0,GDB ChEMBL
236597,COC(=O)NC(=O)C[NH+]=C(N)n1cnc(C)n1,0,GDB ChEMBL
53826,C#CC1=CCCCCC(CC(C)C)CC1,0,GDB ChEMBL
372616,CCC(O)C(C=O)C(N)=CC(=O)[O-],1,GDB ChEMBL
366623,CCC(=NCCO)OC(C)C(O)CO,1,GDB ChEMBL
252565,CC1=CC2C(=O)NC(C[NH3+])CCC2C2CC12,0,GDB ChEMBL
223276,Cc1cc(N)c2c3c(cccc13)C(C)CC2,1,GDB ChEMBL
157072,COCCC(=N)N1CCC(OC(N)=[NH2+])CC1=O,0,GDB ChEMBL
288979,CCC1[NH2+]C2CC(C)C1(C#N)CC2O,0,GDB ChEMBL
319172,C#CC1C(OC)C=C(C#N)C1(O)CC(C)=O,0,GDB ChEMBL
281214,CCC(=O)OC(COC)C(O)C[NH2+]C,0,GDB ChEMBL
160383,NC(C(F)(F)F)C12CC[NH2+]CCC1C(O)CC2,0,GDB ChEMBL
394878,CC1C(=O)NC2CCC3C(C(=O)[O-])C1C23[NH3+],0,GDB ChEMBL
273965,CC1C([NH3+])CC2C(c3ccc(Cl)cc3)C12,0,GDB ChEMBL
356839,C[NH2+]C(C)C1NC(C[NH3+])C(O)C1O,0,GDB ChEMBL
288498,C#CC(C=O)CC1CC(CO)C(C)O1,0,GDB ChEMBL
235984,CCC(C)C1C[NH2+]C1C1CC(C)CN1C,0,GDB ChEMBL
21559,C[NH+]=CNC(C)C[NH+]1CCC1,0,GDB ChEMBL
360831,COCC(C)C1=CCCC1C,1,GDB ChEMBL
253558,CC1CC2(C#N)[N-]C(=O)N3C(=O)C(C=O)C1C32,0,GDB ChEMBL
98615,CN(C)c1cnn(CCCC=O)c1,1,GDB ChEMBL
142553,COC(C[NH3+])C(CCO)n1ncnc1CO,0,GDB ChEMBL
336646,N=C1NC(CC[NH3+])C(O)CNS1(=O)=O,0,GDB ChEMBL
17523,C[NH+](C)CC1CC([NH3+])CC1C1CC1(C)O,0,GDB ChEMBL
235533,C#CC(C[NH3+])(CN1C(=N)NCC1=O)OC(N)=O,0,GDB ChEMBL
222587,CCCC12OC1C(OC)C[NH2+]C2C(C)C,0,GDB ChEMBL
124500,Oc1cc(C2CN2)ccn1,1,GDB ChEMBL
283410,NC(=O)COC1C([NH3+])C(O)C2CC21[NH3+],0,GDB ChEMBL
318571,CC1CCC[NH2+]CC1(C)[NH3+],0,GDB ChEMBL
305958,CN(CCOCC#N)C(=N)C(N)=O,1,GDB ChEMBL
70979,N=C(NC(N)=O)OC1C([NH3+])CC(O)C1[NH3+],0,GDB ChEMBL
358306,C#CC(C#C)(CO)COCCc1scnc1C,0,GDB ChEMBL
109753,C[NH2+]Cc1occ(C[NH3+])c(=O)c1OC,0,GDB ChEMBL
149365,CC1C(CO)C([NH3+])CN1CCO,0,GDB ChEMBL
210736,C[NH+]=C(N)NC(C)(CC[NH3+])C(N)C(N)=O,0,GDB ChEMBL
273789,C#CCc1c(Cl)ncnc1NC(N)=O,1,GDB ChEMBL
181602,CC1(CNC2(C#N)CNC2)CCCC1,1,GDB ChEMBL
281204,COCC(O)(CC#N)C(C)=O,1,GDB ChEMBL
208330,CC1C2C[NH2+]C3CC1C(C)(C)C3O2,0,GDB ChEMBL
324321,CC[NH2+]C1C2CC(CC2CO)C(O)C1C[NH2+]C,0,GDB ChEMBL
305826,CCC1CC(C)C(C)C2CC(O)CC2C1,0,GDB ChEMBL
209834,CC1=CC=CCCCCC2CCCC12,0,GDB ChEMBL
181668,CCCN(C)S(=O)(=O)c1c(O)cnnc1[O-],0,GDB ChEMBL
168398,C#CCC1CC(C)C(=O)Cc2cc(I)ccc21,0,GDB ChEMBL
91183,CC1CCCC(CCO)N(C)C(=O)C(=O)N1C,1,GDB ChEMBL
156124,CC=CC1(C(=O)CO)OCCC1C,0,GDB ChEMBL
136531,CC(O)CC1C2C(=CC3OC32)C[NH+]1C,0,GDB ChEMBL
151810,CCOC(C1CC1)C1CC1C,1,GDB ChEMBL
215704,CC1C(O)C([NH2+]CC(N)=O)C2(CO)CN12,0,GDB ChEMBL
229431,CC[NH2+]C1C2CC(CC)=CC21CC(C)C,0,GDB ChEMBL
398989,Cc1ncsc1C1OCC(C(N)=O)O1,1,GDB ChEMBL
160838,NC(=O)C1CC[NH2+]CC2CS(=O)(=O)NC1=N2,0,GDB ChEMBL
315209,NS(=O)(=O)OC1C([NH3+])C1n1cccn1,0,GDB ChEMBL
359193,Nc1nc(O)nn2cc(O)cc12,0,GDB ChEMBL
108668,CC(C)[NH+]1CC12CCCC=CCCC2,0,GDB ChEMBL
280303,CCOC1C(C)CCC1C#N,1,GDB ChEMBL
130837,CCCC(C)C1CC2CC[NH+]2C1,0,GDB ChEMBL
339082,CC(C(N)=O)N1C(=N)C2(CC2)CC1=O,0,GDB ChEMBL
216476,CN(C)C1C2[NH2+]CC(O)(CC2CO)C1O,0,GDB ChEMBL
137101,OCC1OCC[NH2+]C2CC3[NH2+]CCCC3C21,0,GDB ChEMBL
46868,COC1CCC2CCCC=C(C(=O)[O-])C21[NH3+],0,GDB ChEMBL
366585,C[NH2+]C1CN2CC3C1C3C2C,0,GDB ChEMBL
147879,C[NH2+]CCC(=NCC1CC1)NC=O,0,GDB ChEMBL
181615,CCC1CC2=CC3OC3C=CC2C[NH+]1CC,0,GDB ChEMBL
174172,CC(CC1CC1)CC(C)(C)C[NH3+],0,GDB ChEMBL
246427,CCCCC(OC)C1C2C=CCC1C2,0,GDB ChEMBL
288541,O=COC1C2COC1C(O)C(=O)N2,0,GDB ChEMBL
339114,CCCOC(C)C1(N)C(N)C1[NH3+],0,GDB ChEMBL
210176,C#CCNC1C(=O)N2CC2C1O,1,GDB ChEMBL
292234,O=C([O-])C(O)CC(OC1CC1)C(=O)CO,0,GDB ChEMBL
115383,CCC(CC)Nc1cc(C)cc2oc(C)nc12,1,GDB ChEMBL
281652,C[NH2+]Cc1c(S(N)(=O)=O)c([O-])c[nH]c1=O,0,GDB ChEMBL
77532,CC1C=CCCC(C)(C)C1C(C)CC1CC1,0,GDB ChEMBL
100709,CCOC(=N)CCC1([NH2+]CC(C)(C)O)CC1,0,GDB ChEMBL
372749,CC1C2OCCC3(C)[NH2+]C2CC13,0,GDB ChEMBL
37331,CC1=CC2CCCC2(C)CC1C,1,GDB ChEMBL
204582,C#Cc1cc(C(=O)NC)cs1,1,GDB ChEMBL
28948,C#Cc1c(CCCCC)ccc(CC)c1I,1,GDB ChEMBL
262270,CC1OC2C(O)CC(C(N)=O)C12,0,GDB ChEMBL
152544,C[NH2+]CC1C=CCCCC(=O)C1CC(C)C,0,GDB ChEMBL
288647,CC1CCCC2(C)C(C#N)C=CC2O1,0,GDB ChEMBL
236730,CCNC(=N)NC(=O)Cc1cnsn1,1,GDB ChEMBL
105958,CCn1nccc1[NH+]=C(N)N,0,GDB ChEMBL
125635,CCCCC1CCC2CCC(C(C)C)CC2C1,1,GDB ChEMBL
215720,CCC(O)(CC)COC1(C(F)(F)F)CC1,1,GDB ChEMBL
318747,C#Cc1cc(Cl)c2c(c1C)NCCCC2,1,GDB ChEMBL
216497,CCCC(=O)C#CC[NH2+]C,0,GDB ChEMBL
228487,C#CC1CC2(COC2)CC(C=O)N1,0,GDB ChEMBL
31805,C#CCOC(=N)C(C)(CS(=O)(=O)[O-])C(=O)[O-],0,GDB ChEMBL
238180,O=CC1(O)C[NH2+]C(CO)CC1O,0,GDB ChEMBL
217672,CC(O)C1C=CC2C(C)CCC2O1,0,GDB ChEMBL
281189,C#CC1(C(C)CCC)CCCCC(C)C1,0,GDB ChEMBL
67829,CC1CCC2(C1NC(N)=[NH2+])C(O)C2(C)[NH3+],0,GDB ChEMBL
126976,[NH3+]CCC(O)C1C2CS(=O)(=O)[N-]C(=O)N21,0,GDB ChEMBL
186773,C[NH+](C)CC1(C)CCC1(C)CO,0,GDB ChEMBL
263521,[NH3+]C1CCCCCC23C(O)C[NH2+]C2C13,0,GDB ChEMBL
341155,CC([NH3+])C1CCC(CC(C)(C)O)C(C)[NH2+]C1,0,GDB ChEMBL
39814,CCC1C2CCC(C)(C(=O)C2)C1C,1,GDB ChEMBL
286293,C#CCc1cnc(NC(=O)CC[NH3+])nc1,1,GDB ChEMBL
259618,OC1CC2CN2c2cc(F)ccc21,1,GDB ChEMBL
233452,COC1C2CN(C1C)C2C[NH3+],0,GDB ChEMBL
368418,CC1CC(=O)C(C)(CO)C2(C1)CN2C,0,GDB ChEMBL
295931,CN=C(NCC#N)C(=O)c1nc(N)cc(O)n1,0,GDB ChEMBL
392745,CC([NH3+])(CC1CO1)C(=O)[O-],1,GDB ChEMBL
351302,C#Cc1cc(Br)c(C#N)c(C#CC)c1C,1,GDB ChEMBL
300242,CC(C(N)=[NH2+])(C(O)C(=O)[O-])C1CC1[NH3+],0,GDB ChEMBL
40870,CNC(=O)CNC(=O)OC(=N)C[NH3+],0,GDB ChEMBL
201699,CNC(=O)C1NCCNC(=O)c2n[nH]c([O-])c21,0,GDB ChEMBL
33141,CC(=O)C1NC(=N)OC(C)(C)C1C(=O)[O-],0,GDB ChEMBL
387314,COC(C)c1ccc(=O)n(CC#N)c1F,1,GDB ChEMBL
274623,CC1CC2CCNC(=O)C1C2C,0,GDB ChEMBL
105120,Cc1cc(I)c(O)c2c(CC(C)(C)O)ccn12,0,GDB ChEMBL
302291,CNC(C(N)=O)C(=O)n1cnnn1,1,GDB ChEMBL
313346,CC#CC(C)(C#N)N(C)CCOCCC,1,GDB ChEMBL
285120,O=C1CCC2C3=CC[NH2+]CCC(C=C3)CN12,0,GDB ChEMBL
173725,[NH3+]CCN1CCC(O)CNC1=O,0,GDB ChEMBL
33304,Cc1nn2c3c(nc2cc1N)C(=O)OCC3O,0,GDB ChEMBL
192546,CC1(O)CC(C(N)=[NH2+])C2[NH2+]CC1C2O,0,GDB ChEMBL
175689,[NH3+]CCN1CCC2C([NH3+])C2C1,0,GDB ChEMBL
97172,COC1(c2ccccc2)COC2CC21,1,GDB ChEMBL
206785,CC[NH2+]C1CC(CC)CCOC1OC,0,GDB ChEMBL
48482,CCc1cc2c(cc1C)c(C)c1n2CC=C1,1,GDB ChEMBL
392295,N#CC1NC2CC1(CO)NC(=O)C2[NH3+],0,GDB ChEMBL
379879,CC1CCC(C)(C(C)C)OC1,1,GDB ChEMBL
77830,NS(=O)(=O)c1ncn2c1NC(=O)C2,1,GDB ChEMBL
291876,Cc1onc(CCOC(C#N)C#N)c1C=O,1,GDB ChEMBL
140851,CC1=CC(C(F)(F)F)C2(C)CCCC2C1,0,GDB ChEMBL
41057,N=C1OC(=O)C2NC(=O)C1(N)C2C(=O)[O-],0,GDB ChEMBL
12793,N#CCOC1C[NH2+]CCC(=O)OC1C(=O)[O-],1,GDB ChEMBL
57261,CCC(N)(C[NH2+]C)C(C)(CC)N(C)C(N)=O,0,GDB ChEMBL
325929,CC(C)CC1=CCCC[NH2+]C1C,0,GDB ChEMBL
338595,CC1=CCCC1C(N)=[NH2+],0,GDB ChEMBL
41128,CC1(C)COc2ncc(Br)cc2C2CC21,0,GDB ChEMBL
277565,NS(=O)(=O)CCOCCn1ncnn1,1,GDB ChEMBL
34385,CCC(C(C)C)C(C)C(CC)C(C)C1CC1,0,GDB ChEMBL
352658,Cc1cc(Br)c(Br)c(C)c1CCC(C)C(C)C,1,GDB ChEMBL
13895,CC(C)CC(C)C1CC2=C(COC2)C1,0,GDB ChEMBL
140831,CC1(C)CCC=C1c1cc(Cl)cnc1Cl,1,GDB ChEMBL
240027,CC#CC1C(CCC(F)(F)F)C1CC(C)[NH3+],0,GDB ChEMBL
323304,[NH3+]C1CC2NCC(=O)NC2C1O,0,GDB ChEMBL
62594,CC(C)C1CCC1([NH3+])Cc1cccc(I)c1,1,GDB ChEMBL
228392,COC(=O)C1(C)C2[NH2+]C1C(OC)C2C,0,GDB ChEMBL
120833,C=CCC1OCC([NH3+])C1(CC)CO,0,GDB ChEMBL
132315,CCc1cc2c(c3c(O)c(C)ccc13)CCC2,1,GDB ChEMBL
127740,CC1C(O)CC2CC(N(C)C2=O)C1(C)O,0,GDB ChEMBL
203869,CNC(=O)C1(N)CC([NH3+])C(=O)NCC([NH3+])C1O,0,GDB ChEMBL
84921,Cc1nc(O)c(O)c(Cl)c1C(O)C1CN1,1,GDB ChEMBL
161405,CC1(O)CC2CCOC1C2[NH3+],0,GDB ChEMBL
87553,COCC1NC2C(C[NH3+])NC1C2O,0,GDB ChEMBL
23644,CNC(=O)C1C(N)C(=O)N1C,1,GDB ChEMBL
228877,C#CCc1cc(C2(C)CCC2)ccc1F,1,GDB ChEMBL
193228,OCCC(O)CC1CC[NH2+]CC1,0,GDB ChEMBL
338542,CCc1cc(C(F)(F)F)ccc1Cl,1,GDB ChEMBL
280275,C#CCc1ccnc(CC(C)CCC(=O)[O-])c1,1,GDB ChEMBL
397943,CCC1CCC=C(CC(C)C)CCC1(C)C,0,GDB ChEMBL
35305,Cc1cnc(CC#N)c(N2CC2)c1O,1,GDB ChEMBL
362390,C[NH2+]CCCOC1CC(=O)C1,0,GDB ChEMBL
190488,NC(=O)C1CC(O)C2C[NH2+]C2CC1O,0,GDB ChEMBL
263417,CC(=O)OC1C(C)CC1[NH3+],0,GDB ChEMBL
361820,OC1CCc2cc3cc(Cl)cnc3cc21,1,GDB ChEMBL
203141,COC(=O)C#CC(CO)OS(N)(=O)=O,1,GDB ChEMBL
75412,CC[NH2+]CC(=O)NC(=O)NC=O,1,GDB ChEMBL
104710,NC(=[NH2+])NC1C(O)CC2OCC(O2)C1O,0,GDB ChEMBL
34446,CCC(C)C1C[NH2+]C2c3c(C)n[nH]c3CC21,0,GDB ChEMBL
315178,CC1=CCCCCCCC1C#N,1,GDB ChEMBL
6066,CC(C)(O)c1ccnc(Cl)n1,1,GDB ChEMBL
9974,Cc1[nH+]c(N)n2c1CNC(=O)C(=O)C2,0,GDB ChEMBL
200771,CN(C)C12C[NH2+]CC1CNC(=O)OC2,0,GDB ChEMBL
215370,CC1CCCC2C=CCC1O2,0,GDB ChEMBL
38513,CC1C=CCC2CC1OC2CCO,0,GDB ChEMBL
81075,CC=Cc1cc(F)c(F)c(NC)c1,1,GDB ChEMBL
283256,CC(CO)[NH2+]C(C)C(O)CC(CO)CC[NH3+],0,GDB ChEMBL
228856,CCc1c(C)c(Br)c(Br)c(C2CC2)c1C,1,GDB ChEMBL
283258,CC([NH3+])C(C)C1C[NH2+]C(C)C(C)C1,0,GDB ChEMBL
310113,N#CCN1CC2CC(C=N[O-])(OC2=O)C1=O,0,GDB ChEMBL
282238,CC1C2OC2C(N)C(=O)N1C(=N)N,0,GDB ChEMBL
263982,Cc1cc2c(cc1Cl)NC(C)C2C1CC1C,0,GDB ChEMBL
153351,CS(=O)(=O)NC1COC(=O)C2C(O)C12[NH3+],0,GDB ChEMBL
312236,CC#CC(C)(O)c1c(N)ccc(O)c1F,1,GDB ChEMBL
85799,CC1CCC12C(N)C[NH2+]C2C(=O)[O-],0,GDB ChEMBL
387065,COC1(CC2(C)CCC(C(C)[NH3+])C2)C[NH2+]C1,0,GDB ChEMBL
6862,C=CC1(C[NH2+]CC)C2CCC1CC2,0,GDB ChEMBL
283247,CCC[NH2+]C1CC=CC=C1COC,0,GDB ChEMBL
249804,COC(C)C1C(=N)OCC([NH3+])C1C(N)=O,0,GDB ChEMBL
9836,CC(O)(CO)C(O)C(O)C([NH3+])CO,0,GDB ChEMBL
189793,CC(C)(CNC(N)=O)C(=O)NC(=N)N,1,GDB ChEMBL
23929,Oc1cc(F)cc(C2=CCC=CCC=C2)c1,0,GDB ChEMBL
75464,C[NH2+]C1CNC2C(C([NH3+])C(N)=O)C12O,0,GDB ChEMBL
66763,CC1CC=CC(O)C(C)C(C(C)C#N)[NH2+]1,0,GDB ChEMBL
246786,CC([NH3+])COC1C(C)OC(=O)NC(=O)C1C[NH3+],0,GDB ChEMBL
389487,C[NH+]=C(N)NCC(N)c1nccs1,0,GDB ChEMBL
259417,CC1=CC(C(C)C)C(C)(C)CC1,1,GDB ChEMBL
255390,COC1CC(C)C2CC1(C)C2,1,GDB ChEMBL
363220,CC(O)C1CCC2(CCc3cc(I)ccc32)C1,0,GDB ChEMBL
274208,C#CCCC(NC1=NC(CN)C(=O)N1)C(C)C,0,GDB ChEMBL
151833,COC1CC2CCC(C)OC1C2,0,GDB ChEMBL
11695,CCC1(C2[NH2+]CCC2O)CC1,0,GDB ChEMBL
348857,CCC1CCC2CCCC(CC)(CCC2)CC1,0,GDB ChEMBL
10616,C#CCCCC(Cc1cc[nH]c1)CC(F)(F)F,0,GDB ChEMBL
157391,CCCCCC(C=CC[NH3+])=CC#N,0,GDB ChEMBL
140762,NC(=O)CC(N1CC1)C1(O)CC1,1,GDB ChEMBL
348481,CC1(C(F)(F)F)CCN(C(CN)C(N)=[NH2+])CC1,0,GDB ChEMBL
273447,COC1OCC(C)NC1C(O)CN(C=O)C=O,1,GDB ChEMBL
382185,NC(=[NH2+])CC(N)C(=O)Oc1cc(O)cnc1F,0,GDB ChEMBL
26828,COC1CCC(O)C(C(=O)[O-])NC(C[NH3+])C1[NH3+],0,GDB ChEMBL
51385,CCC(C)(CC1=CCOCCC1)[NH2+]C,0,GDB ChEMBL
170460,CCC1(C#N)CCC2CCC1OC(C)C(=O)N2,0,GDB ChEMBL
358461,CN1CC2(CC2)C2([NH3+])CN(CC1=O)C2,0,GDB ChEMBL
112479,Cc1ccc2c(C3CC3)coc2c1Cl,1,GDB ChEMBL
227272,C[NH2+]C(C)C1=NCCC=CC(C[NH3+])O1,0,GDB ChEMBL
40873,CCCCC(CC#CC1CC1)c1c[nH]cn1,0,GDB ChEMBL
17589,C[NH2+]CCC(C)(C)Cc1nc[nH]n1,0,GDB ChEMBL
339008,CC1CC2C(=O)C1CCC2O,1,GDB ChEMBL
382534,NC(=O)C(=O)C1C(O)C2OC(C(O)C2O)C1O,0,GDB ChEMBL
184653,C#CC(CC#CC(C)(O)CCCC)[NH2+]CC,0,GDB ChEMBL
305119,COC(=O)C(C)(CO)C(C)([NH3+])CO,0,GDB ChEMBL
120013,CC1=CCC=CC(=O)N(S(C)(=O)=O)C1,1,GDB ChEMBL
65919,COC(=O)C1(O)CN2CCC21,1,GDB ChEMBL
181634,CC1C2CC3C[NH+]1C1CCC3C2C1,0,GDB ChEMBL
37127,CC1COC(=O)NCC(O)C(C)C1=O,0,GDB ChEMBL
325762,CC#CCN(C)c1ccc(C)c(C)c1Cl,1,GDB ChEMBL
66700,COC1CCCC2(CC=CCC2O)C1,1,GDB ChEMBL
337048,CC1=CCC(CCCCO)CC2CC12,0,GDB ChEMBL
307539,C#CCC1C(C)CC(C=C)C1CO,0,GDB ChEMBL
1109,C#CC1CC(C)C(O)c2c(Br)cccc21,1,GDB ChEMBL
170260,COCC(=O)NC1CCC(C#N)(C(=O)C=O)C1,0,GDB ChEMBL
169352,C#CC[NH2+]C(C#C)CCCC(C)CC(C)C,0,GDB ChEMBL
357674,CC1OC(=O)C(OC(=N)CNC(N)=O)CC1[NH3+],1,GDB ChEMBL
264981,C[NH+]=C(N)NC(C(N)=[NH2+])C(O)CO,0,GDB ChEMBL
234921,CS(=O)(=O)NC1=NC(CO)C(C#N)N1,0,GDB ChEMBL
64621,C[NH2+]C1(C(C=O)Nc2cc[nH]n2)C(C)C1C,0,GDB ChEMBL
31803,C#CCCC(O)Cc1ccc(C)cc1Cl,1,GDB ChEMBL
204311,CC(=O)Oc1cc(=N)[nH]nc1C,1,GDB ChEMBL
38186,COc1ccc(C)c(C=O)c[nH]c(CO)n1,0,GDB ChEMBL
388446,CC1OC(C[NH3+])C2CC1NC2C#N,0,GDB ChEMBL
95872,C#CC(CCOC)CN(C=[NH2+])C(CN)CO,0,GDB ChEMBL
4805,CCCC1(CO)CC[NH+]=C(N)O1,0,GDB ChEMBL
195373,CCCC1C2C(C)C(C3CCC[NH2+]C32)C1(C)C,0,GDB ChEMBL
384245,C#CC1C(O)C2CC(C(=O)N2)C1(C)[NH3+],0,GDB ChEMBL
79626,CCCC(=O)NCC1OCCc2nc(C)sc21,1,GDB ChEMBL
133934,CCC1CC(O)CC2[NH2+]CC12,0,GDB ChEMBL
234875,C#CCC(C)C1(C)CCC(CCC)CCC1C,0,GDB ChEMBL
310150,C[NH+]1C2CC(O)C(CC3CC31)C2,0,GDB ChEMBL
151701,CC(Oc1cnoc1)C(=O)[O-],1,GDB ChEMBL
29945,CCOC1C2C(O)C1[NH+](C)C2C(=O)[O-],0,GDB ChEMBL
140130,CC1OC2CC([NH3+])C(N)C2(C(=O)[O-])OCC1O,0,GDB ChEMBL
76394,C#CCCC1([NH2+]C(C)CC[NH3+])CCC(=N)OC1,0,GDB ChEMBL
232109,CC1=CC23C(C1)C2C(C)[NH+](C)C3C(C)O,0,GDB ChEMBL
203760,C#CCCC(C)C(C)C(CC#C)CC(C)CC,0,GDB ChEMBL
34410,CNc1nc(CC(N)=O)noc1=O,0,GDB ChEMBL
33572,CC1(C)COC2CC=CC1[NH+](CC(N)=O)C2,0,GDB ChEMBL
290303,CCn1cc(C=O)c2c(O)c(O)c(Cl)nc21,0,GDB ChEMBL
37344,CNCC1(C#N)CC([NH2+]C)C(CCO)N1,0,GDB ChEMBL
130238,CCOC1(C(C)(C=O)[NH2+]C(C)C(C)O)CC1,0,GDB ChEMBL
34765,O=C1NC(Nc2ncns2)=NCC1O,1,GDB ChEMBL
2333,C#CC1(C)C(=O)C2C([NH2+]CCO)CC1C2[NH2+]C,0,GDB ChEMBL
190523,CCCCOCCC1N=C(C)OCC[NH2+]C1C,0,GDB ChEMBL
210377,CCCOCCC1COC(CC(O)C(C)C)C1,0,GDB ChEMBL
118498,C[NH+]1CC2C3CC(OC(=O)N3)C23CC3(C)C1,0,GDB ChEMBL
241087,CC1CC(C)(CO)C=CC1O,1,GDB ChEMBL
294768,COCc1cnc2c(c1)CC1COC(C1)O2,0,GDB ChEMBL
164649,CC1CC2(C[NH2+]1)OCC(O)CC2[NH3+],0,GDB ChEMBL
76730,Cc1c(=O)n(C)cc2ncsc12,1,GDB ChEMBL
379232,C#CC1(O)CC([NH+](C)CC)CCC1C([NH3+])CN,0,GDB ChEMBL
236566,COC1(C(C)C[NH3+])C([NH3+])C1CS(N)(=O)=O,0,GDB ChEMBL
274188,O=C1COC2C(=O)OCC2N1,1,GDB ChEMBL
271333,NC(=[NH2+])CC1(C(=O)[O-])CC([NH3+])CCO1,0,GDB ChEMBL
26981,CC(=O)NCC1=CCOC1C,0,GDB ChEMBL
92894,C=CCOCC[NH2+]C1CCN(C)C1,0,GDB ChEMBL
358955,CC(C(N)=O)C(C#N)C1OCC(C)(C)OC1=O,0,GDB ChEMBL
258207,N=C1OCC(N)=C1C(=N[O-])c1cccnc1,0,GDB ChEMBL
363008,CC(CC12CC(C1)[NH2+]CC(=O)N2C)=NO,0,GDB ChEMBL
380608,CC(=O)C(C)[NH2+]C(C)CN(C)C,1,GDB ChEMBL
16723,[NH3+]CCN1CC2OC(=O)CC21,0,GDB ChEMBL
291930,CC1=CCCC(C(=O)[O-])C(COCC#N)C1,0,GDB ChEMBL
210998,C#CC12C(=O)NCC1N2CC,0,GDB ChEMBL
385984,OC1C2OC34CCC2[NH+](CC3)CC14,0,GDB ChEMBL
305214,CC12CCN(C(N)=[NH2+])CC(O)C1N2,0,GDB ChEMBL
252292,[NH3+]C1(Cc2nc(Cl)cc(Cl)c2CO)CC1,0,GDB ChEMBL
102315,CC1C=CCN1C(=O)C1CC1(C)C,1,GDB ChEMBL
299557,C[NH2+]C(C)C1C2C[NH2+]CCC(C2)C1C,0,GDB ChEMBL
61695,CC1CC2C3CC(C)C1[NH+](C)C23,0,GDB ChEMBL
248661,CCOCC1C([NH2+]C)CCC1(O)C(CC)CC,0,GDB ChEMBL
222790,CC1N(C=O)C(CO)CC12C[NH+]=C(N)CO2,0,GDB ChEMBL
114789,CC1C2CC[NH+](C2)C1c1ccccc1I,0,GDB ChEMBL
26617,N#CC1C2CC(N=C(N)O2)C1n1ccnn1,0,GDB ChEMBL
179988,CCC1CC2OC2(C=O)CCCC1C,0,GDB ChEMBL
85638,CN(CC(N)C(=O)[O-])C(=[NH2+])CN,0,GDB ChEMBL
84910,CCC1CN1C(C)C(N)=O,1,GDB ChEMBL
156090,CCN1C(=N)NCC(O)C1=O,1,GDB ChEMBL
105970,CCCC1CC=C(C)CC(C)(CCC)C1,1,GDB ChEMBL
372563,COC(=O)C(N)c1ccon1,0,GDB ChEMBL
34902,CC(C)C12CCC(C#N)C1C2CC(=O)[O-],0,GDB ChEMBL
257997,COc1c(C(=O)[O-])c[nH]c1O,0,GDB ChEMBL
47511,CC(=O)COC(=O)NCCC#N,1,GDB ChEMBL
122973,Cc1cc(OCC(N)=O)c2nncnn12,0,GDB ChEMBL
126934,CC1CC2(CO1)C([NH3+])CC(CO)C(C#N)N2C,0,GDB ChEMBL
206839,NC(=O)N1CC2(C1)NC(C=O)CC2O,0,GDB ChEMBL
66652,CC[NH2+]CCC(O)C(O)C1NC1C,0,GDB ChEMBL
378140,COCCN1CC(C=O)C1,1,GDB ChEMBL
260589,COCC1CC2OC(O1)C([NH3+])CC2O,1,GDB ChEMBL
260695,CC=CCC=CCC1CC1CC#N,0,GDB ChEMBL
302284,CCCCC(C)C1CCCC2CC(CC)CC21,1,GDB ChEMBL
307602,CC1CC=CCC(C)C12CCC2,1,GDB ChEMBL
136113,CCC1CC(C)C(=O)C2C1CC1(CC1)C2O,0,GDB ChEMBL
50932,C#CCOC(=O)[N-]C(=O)c1nsnc1[O-],0,GDB ChEMBL
349957,Cc1ccc(OCC2CCC2)c(C)c1Cl,1,GDB ChEMBL
276104,CCC1C2OCC(O)C12C#N,0,GDB ChEMBL
302296,CN1CC(OCCO)CC1=[NH2+],0,GDB ChEMBL
160989,CC(CNC(N)=[NH2+])(CC(N)=[NH2+])C(O)C(N)=O,0,GDB ChEMBL
61254,CC(C)C1CC(C[NH3+])C([NH3+])CC(=O)O1,0,GDB ChEMBL
289403,COC1C(O)C([NH3+])CC2(C)C(C#N)C12,0,GDB ChEMBL
157729,CCC(=O)N(C=O)C=CC(O)CO,1,GDB ChEMBL
398711,CCC(C)C1CC(CC)[NH+](C)C1,0,GDB ChEMBL
133293,[NH3+]C1CCN=C(C2CCO2)NC1=O,0,GDB ChEMBL
191717,C=CC1C=CCC(C(C)C)[NH+]1CC,0,GDB ChEMBL
29244,N#Cc1cc2n(c1)CC(OC1CC1)C2,1,GDB ChEMBL
233420,N#CC(O)C(O)C(=N)NCC(N)=O,1,GDB ChEMBL
194388,CCCC(=O)C1(C)C(C)CCCC1(C)C,1,GDB ChEMBL
89079,CC1CNC(=O)CNC(COC=N)C1,1,GDB ChEMBL
27781,[NH3+]C1CCOCC(O)(C2CC(CO)C(=O)N2)C1,0,GDB ChEMBL
85073,CC12CCCCC(O)C=CC1C2C[NH3+],0,GDB ChEMBL
320764,CCC1[NH2+]C2CN(CC3CC31)C(C#N)C2O,0,GDB ChEMBL
296375,CCC(C)CC(CO)[NH2+]C1C(=O)CC1O,0,GDB ChEMBL
112414,CNC(=O)CNC(=O)N(C=N)C(C)CCC#N,1,GDB ChEMBL
255974,Cc1cc2c(cc1F)C1(C)CC(C)(C)C2C1C,0,GDB ChEMBL
162530,CCC1(C)CC2OC1Cc1ccncc1C2C,0,GDB ChEMBL
40872,COC1(C)C=CC2(C1)C(CO)C2CO,0,GDB ChEMBL
352614,CNC(=[NH2+])NC(C)CNS(C)(=O)=O,0,GDB ChEMBL
227785,CC1CC2(CC(O)CO)C(O)C2(C(=O)[O-])[NH2+]1,0,GDB ChEMBL
244454,O=C1NC2CC1CC(=O)N1CC21,0,GDB ChEMBL
84453,CC1C=CC2(C(C)c3ccc(Br)cc3)CC12,0,GDB ChEMBL
280868,CC1(CNc2ccc(C#N)cc2)CC=CC1,1,GDB ChEMBL
304873,NS(=O)(=O)CC12CC1C(C([NH3+])CO)C(=O)O2,0,GDB ChEMBL
182232,CNc1nc2ncc(CCO)c3ncc1n23,0,GDB ChEMBL
335480,Cn1cncc1-c1c(Cl)cccc1C(C)(C)C,1,GDB ChEMBL
386704,NC(=O)n1[cH-]c(C=O)cc1=O,0,GDB ChEMBL
210399,CCCc1cn(CC)c(O)nccc(O)c1O,0,GDB ChEMBL
389437,C#CC1(C)CC(CCC(CN)[NH2+]C)C1,0,GDB ChEMBL
104930,OCCC1CC1C1CCC[NH2+]C2CC21,0,GDB ChEMBL
151116,Cc1n[nH]c2c1C[NH2+]CC2,0,GDB ChEMBL
136571,CC([NH3+])C1C(O)C(=O)NCC2OC21,0,GDB ChEMBL
284878,CN1C(=O)NC2CC(CO)C1C(=NO)C2CO,0,GDB ChEMBL
216527,Cc1cc(C(C)C2(C)CC2)c(F)cc1F,1,GDB ChEMBL
252280,C#CCC(C)CCC(CC#C)CC1CC1,0,GDB ChEMBL
243385,C[NH2+]C1C2CC(O)C1CC(C)O2,0,GDB ChEMBL
26872,CC1CCC(O)C1C1CC1C1CC1,1,GDB ChEMBL
260167,COCC1(C#N)NCC[NH2+]CC1(C)C[NH3+],0,GDB ChEMBL
204646,CCC(C)C1C(OC)CCC2CC21,1,GDB ChEMBL
351395,Cc1c(CO)c(O)c2n1CCCC2C(C)(C)C,0,GDB ChEMBL
24259,CC(NC=O)C([NH3+])C(O)C(O)C(O)C[NH3+],0,GDB ChEMBL
186562,NC(=O)C1C2[NH2+]C(C(=O)[O-])CC21O,0,GDB ChEMBL
280274,Cc1nc(O)c(O)nccc(C[NH3+])s1,0,GDB ChEMBL
258712,C#CC(NCC(=O)[O-])C(=O)NC,1,GDB ChEMBL
203223,COC(C#N)C1CC1N(C)C(N)=O,1,GDB ChEMBL
231134,CCCC1OCC(C)C2C=CC1C2(C)O,0,GDB ChEMBL
84900,CCCC1=CCCC[NH2+]CC(C)=CC1,0,GDB ChEMBL
346547,CC([NH3+])CC1(C)CC(C(O)C(N)=O)OC(=[NH2+])N1,0,GDB ChEMBL
178055,CC(=NCC[NH3+])NS(C)(=O)=O,0,GDB ChEMBL
248869,CCc1[nH+]c(N)ccc1C1CC1,0,GDB ChEMBL
56632,C[NH2+]CC12CC([NH3+])C(CO1)C2,0,GDB ChEMBL
2353,CC1CC=CC(C)C(C(C)(C)C[NH3+])C1,0,GDB ChEMBL
26420,C[NH+](C)CC1CC(O)C=C1C=O,0,GDB ChEMBL
247525,CN1C2C(=O)NCC(COS(N)(=O)=O)C21,0,GDB ChEMBL
382613,C[NH2+]C1C(=[NH2+])NCC1CC(=O)[O-],0,GDB ChEMBL
26964,C[NH+]1CCNC(=O)C=C2CC(O)C21C,0,GDB ChEMBL
386528,N=CN1C2CNC(=O)C(C2)CS1(=O)=O,0,GDB ChEMBL
377828,NC(C(=O)NC(=O)CO)C1CN1,0,GDB ChEMBL
182228,CC(O)C1C([NH3+])C1C(C[NH3+])CC#N,0,GDB ChEMBL
121514,COCC(C)[NH+]1CCC2C3C=C(C)CC32C1,0,GDB ChEMBL
122903,COCC(C)(CO)N(C(=N)CNC=O)C(N)=[NH2+],0,GDB ChEMBL
398787,CCC1(C)C(O)CCC12CC1CC2C(CO)[NH2+]1,0,GDB ChEMBL
348853,C[NH2+]CC(N=C(N)c1ncn[n-]1)C(=O)[O-],0,GDB ChEMBL
2127,CCc1c(Br)nc2c(C)c(C)ccc2c1CC,1,GDB ChEMBL
338326,CC#CC1CC(C)(C)C[NH2+]CC1NCC,0,GDB ChEMBL
249584,CC1C=CC2(O)C(CC(=O)[O-])C2C1,0,GDB ChEMBL
44378,C#CC(C)([NH3+])CC(=O)N(C)C(N)=NCC,1,GDB ChEMBL
23975,CCc1c(Cl)c(N)c(Cl)c(C=O)c1Cl,1,GDB ChEMBL
704,CCC1c2ccnc(Cl)c2CC12CN2,0,GDB ChEMBL
6009,CCC1([NH3+])CC(N(C=O)C(=O)CO)C1,0,GDB ChEMBL
280857,C#CC(C=O)c1ncccc1C,1,GDB ChEMBL
247356,CC1=CC(C)CC(=O)C2CNC(=O)C12C,0,GDB ChEMBL
308122,COCC1(C)C=C(C)CCCCN2CC21,0,GDB ChEMBL
304442,CC(C)C1OC2CCC1[NH2+]C2,0,GDB ChEMBL
77336,Cc1cc2c(cc1I)C[NH+]1CCCC2C1,0,GDB ChEMBL
45045,O=CN1CC(=NO)CCOC1=O,1,GDB ChEMBL
240428,CC1OCC2(NC2CC(=O)NC(N)=O)C1O,0,GDB ChEMBL
269204,N#CC(N)c1cocncc(C(=O)[O-])c(O)n1,0,GDB ChEMBL
218341,CC1CC12COC(=O)C(NC(N)=O)C(O)C2,1,GDB ChEMBL
29958,NC(=O)OC12CCNC(=O)C1CNC2=O,0,GDB ChEMBL
65577,CCC(C)(O)C1CNC(=O)C1OC,1,GDB ChEMBL
374002,C[NH2+]CC1OCCC(OC)CC1(C)[NH3+],0,GDB ChEMBL
239123,CC1C(OS(N)(=O)=O)C(O)C2CC([NH3+])CN12,0,GDB ChEMBL
338819,N#CC12CCC(CC1)C2c1ccc(Cl)cc1,0,GDB ChEMBL
271020,CCCN=C1OCC1(C)C#N,1,GDB ChEMBL
385507,C[NH2+]CCn1cnc(C2CC2)c1,1,GDB ChEMBL
203437,CC1CN(C2CC2)C1(C[NH3+])CO,0,GDB ChEMBL
371748,CC1(O)C(=O)NC2CC(C#N)COCC21,0,GDB ChEMBL
385414,CCC(C)CCC([NH3+])CN1CC1,0,GDB ChEMBL
214040,CCCC12[NH2+]C1CC1CCC(O)C2C1,0,GDB ChEMBL
394297,CN=C(CCCO)N1C(=O)C=CC1=O,1,GDB ChEMBL
65598,CC(=O)N(C)C1(C#N)C2NC(=[NH2+])NC21C,0,GDB ChEMBL
228792,[NH3+]C1C2COC1C(CC(=O)[O-])O2,0,GDB ChEMBL
292305,CC1(CC2CC2)CNCC(=O)C1,0,GDB ChEMBL
263457,Cc1c(C(F)(F)F)cc(Br)c(Br)c1C(C)(C)C,1,GDB ChEMBL
302260,CC(C)C1(C)NC2CC(O)C1[NH+]1CCCCC21,0,GDB ChEMBL
109729,CC1=CCC2C(CC[NH2+]CCCC3CC32)C1,0,GDB ChEMBL
120737,CCC(C)C[NH+]1CCC1CC[NH3+],0,GDB ChEMBL
174903,CCC(C#Cc1ncn[n-]1)NC(=O)NC,0,GDB ChEMBL
299191,CCn1ccc2c3[nH]ncc3c(=O)ncc21,0,GDB ChEMBL
98543,CC12CCC=CC(CC1)C1(C)CCCCC21,0,GDB ChEMBL
380606,CC1C(C2CC2)CC2CCCCCC2[NH+]1C,0,GDB ChEMBL
21538,CCOC1C(C)C(C)C(CC)C1CC,1,GDB ChEMBL
358802,C#CC(C)(C=O)c1c(Cl)cccc1NC,0,GDB ChEMBL
51854,CCC1C[NH2+]C23CC2C(=O)OC3C1,0,GDB ChEMBL
244608,CC1CCC2CC3C[NH+]1C3C2,0,GDB ChEMBL
60660,CNC(N)=[NH+]c1cnccc1N,0,GDB ChEMBL
300421,O=CNC(C=O)CCO,1,GDB ChEMBL
78646,OC1CCC2C3C4C[NH+](CC43)C12,0,GDB ChEMBL
262564,CCC(C)(C)C1CC(C)=CCC1(C)C,0,GDB ChEMBL
94849,CN1CCCCOCC(=O)COC(=O)CCC1,1,GDB ChEMBL
111588,CN(CC#N)c1cc(N)cn1C,1,GDB ChEMBL
274084,Cc1ncn2c(=O)ccc(CC(O)C[NH3+])c2n1,0,GDB ChEMBL
127892,C[NH2+]CCN1C(=O)CC=C1C,0,GDB ChEMBL
395916,CN1CC2CC2OCC1C#N,1,GDB ChEMBL
314115,Cc1cc2c(c[nH+]1)C=CC1CN21,0,GDB ChEMBL
79504,CC([NH3+])C(C[NH3+])NC(C)C(O)C(=O)[O-],0,GDB ChEMBL
81062,C=CC1CC2(O)C(=O)CC1C2OC,0,GDB ChEMBL
41125,NC(=O)NC(=O)C1NC(C(=O)[O-])CC1=O,0,GDB ChEMBL
147265,CCN1CC[NH+]=C1CC#N,0,GDB ChEMBL
95220,Cc1nc(CO)ccc(CC(C)[NH3+])cc[nH]1,0,GDB ChEMBL
95489,CC12C=CC(=O)NC1C1(CO1)C1CCCC12,0,GDB ChEMBL
309138,O=C1CCOCc2ncn3c2N1CC3,1,GDB ChEMBL
341137,COC1C(N)(C[NH3+])C1(C(=O)[O-])C([NH3+])CO,0,GDB ChEMBL
126949,CC12CCC3CC(CNC3=O)CC1C(O)CC2,0,GDB ChEMBL
28959,CC1C[NH+]=CNCC1C(N)=O,0,GDB ChEMBL
263296,CC#CC(=N)OC(C)COCCC[NH3+],1,GDB ChEMBL
131925,CC(CO)C1(CO)CNC(=O)N1,0,GDB ChEMBL
184659,COC(C)C1OC(C)(C)OC1C([NH3+])CO,0,GDB ChEMBL
265306,NC(=O)Oc1nc(C(N)=O)sc1CC(=O)[O-],0,GDB ChEMBL
274607,C#CC[NH+]1CC=C2CCC1CCCC=C2C,0,GDB ChEMBL
274261,CNC(=O)OC1CC2[NH+]=C(N)NC21,0,GDB ChEMBL
127279,C[NH2+]C(C(N)=O)C1(C=O)CC1OC,0,GDB ChEMBL
288933,CC(C)C(Cc1ccc(Br)c(Br)c1)C(C)(C)O,1,GDB ChEMBL
330168,CCC(CC)c1c(C)cccc1COC(C)C,1,GDB ChEMBL
147968,NC1=NC(C(=O)[O-])C(=O)N1CC[NH3+],0,GDB ChEMBL
372091,CCC[NH2+]C1C(C)CS(=O)(=O)CC1NC=O,0,GDB ChEMBL
149973,C[NH+]=CN(CC[NH3+])c1cc2c(cc1C)CCC2,0,GDB ChEMBL
381464,CC#CC(C)(C=CC)C1CC[NH2+]C1,0,GDB ChEMBL
165956,C#CC1CCC(C(C)(C)C)c2c(Br)cccc21,0,GDB ChEMBL
12765,COc1nc(NC(N)=O)cn1C,1,GDB ChEMBL
230519,CC1CC(C)C2C=CC1C(=O)NC2=O,0,GDB ChEMBL
129813,CC(C)[NH+]1CCC2CN(CC1)C1CC1N2C,0,GDB ChEMBL
227750,CC1CC=C(C([NH3+])C(N)=O)CNC(=O)O1,0,GDB ChEMBL
211129,CCC1C(C)C2C(C1O)N2C,0,GDB ChEMBL
69635,CC(C=O)(CO)NS(=O)(=O)C1CC1,1,GDB ChEMBL
250555,CCN1CC=C(C(=O)[O-])C(=O)C1C#N,0,GDB ChEMBL
330085,CCc1cc(C)c(Br)c2nc(C(C)O)ncc12,1,GDB ChEMBL
124834,CC(C)[NH2+]C1CCC12CCCCC2,0,GDB ChEMBL
153721,N=C1OCCCOc2nc(N)ncc21,1,GDB ChEMBL
252325,CCCc1cc2c(c(C)c1C)C[NH+]1CCC21,0,GDB ChEMBL
308263,NC(=O)C12COC(=[NH2+])NC1CC([NH3+])C(O)CN2,0,GDB ChEMBL
9958,Cc1n[nH]c(C[NH3+])c1CC(N)C#N,0,GDB ChEMBL
113541,Clc1cncc2c1CC(c1cccs1)=CC2,1,GDB ChEMBL
247331,NC(=O)c1c([O-])noc1N,0,GDB ChEMBL
155767,C#CC1(C)C2COCCN21,0,GDB ChEMBL
147224,C#CC1CC[NH2+]C(C)CC(C)C1,0,GDB ChEMBL
304445,CN1CC2=CC(C#N)NC2C1C(N)=O,0,GDB ChEMBL
341904,C[NH2+]C1CC(C)CC(C)OCC2(C)OC12,0,GDB ChEMBL
34346,C#Cc1cc(I)cc(CC2CCCCC2)c1O,1,GDB ChEMBL
266215,CCC1OC(=O)NCC2(CC2C)C1CO,0,GDB ChEMBL
216490,CC1=CC(O)CC1[NH2+]C1CC1,0,GDB ChEMBL
29967,CCC(CO)C12C(O)C(=O)NC1C2O,0,GDB ChEMBL
274608,C[NH+]=C(CS(N)(=O)=O)NCCO,0,GDB ChEMBL
34978,O=C([O-])C1CCCC1(O)C(O)C(F)(F)F,0,GDB ChEMBL
13795,C[NH2+]C(COS(N)(=O)=O)C(C(C)[NH3+])C(C)O,0,GDB ChEMBL
214019,Oc1c(Br)cccc1NCCC1CC[NH2+]1,1,GDB ChEMBL
280265,NC(N)=[NH+]C1C(O)CC([NH3+])C1O,0,GDB ChEMBL
383734,CCOC1(C(=O)[O-])C(O)C1C(N)=O,0,GDB ChEMBL
248206,CCCCCCCCCCCC(C)(C)CCC,1,GDB ChEMBL
133991,CN(C(=O)C(O)CO)c1nnn(C)n1,1,GDB ChEMBL
234405,N#CCC1(C2CN(C(N)=O)C2)CCCCO1,0,GDB ChEMBL
81038,COC1C(=O)C2=CCC(O)C1[NH2+]CCCC2,0,GDB ChEMBL
72437,CCC(C)CC(C)C(C)C,1,GDB ChEMBL
356513,CC(C)C1Cc2ccc(I)c(N)c2O1,1,GDB ChEMBL
301169,CCC1CC2C=CCCC=C2C[NH2+]1,0,GDB ChEMBL
190100,CN=C(NC(C)CC#N)NS(C)(=O)=O,1,GDB ChEMBL
84496,CCCC1C(C)CCC(C)(CCC)[NH+]1C,0,GDB ChEMBL
81420,CC1C(=O)OC(CO)C12NCC2C#N,0,GDB ChEMBL
35473,CC1C[NH2+]C2CC=C(CO)C12,0,GDB ChEMBL
99402,CCCCc1ncc(=N)[nH]c1OC,1,GDB ChEMBL
68499,[NH3+]Cc1nccc(F)c1CC1COC1=O,0,GDB ChEMBL
132228,C#CC(C)(C)c1[nH]ccc1C(=O)CC(C)C,1,GDB ChEMBL
361162,CC(C)C#CC(=O)N(C)C,1,GDB ChEMBL
325716,C#CC1(O)C(C#N)CC[NH+](C)C1CCCC#N,0,GDB ChEMBL
397095,CCCC1C([NH3+])CC2=CCC(C)(O)CC21,0,GDB ChEMBL
383693,COC(=O)C12NC(=O)OC1=NCC2C(C)OC,0,GDB ChEMBL
383800,COc1cc(C)cnc1C=O,1,GDB ChEMBL
225217,CCC1C(O)CCC[NH+](C)C1(C)C,0,GDB ChEMBL
183467,CCC(C#N)NC(=O)CC1(C)CCOC1C,0,GDB ChEMBL
202519,NS(=O)(=O)CC(=O)OC1CC2OC2C1[NH3+],0,GDB ChEMBL
252581,NC(=O)C(N)C([NH3+])CC(O)CCO,0,GDB ChEMBL
77766,C=CC(C)C(C=C)C(CC)C(C)C,0,GDB ChEMBL
103896,CC(=O)NC1CCC2C([NH3+])CC12O,0,GDB ChEMBL
263407,CC(C)CC1CC2(C#N)C(N)C2C1(C)O,0,GDB ChEMBL
132848,CC=C1CCCC[NH+]2CCC1(C)C2,0,GDB ChEMBL
212584,CC(C)CCn1c(C(C)C[NH3+])nn2ccnc12,0,GDB ChEMBL
129536,CCCC1C(=O)C2(C)CCC[NH+](C)CC12,0,GDB ChEMBL
252867,C#CCC1(O)CC(OC)CCC2CC2C1,1,GDB ChEMBL
323959,COC(=O)CNC(=N)CS(N)(=O)=O,1,GDB ChEMBL
294425,CC1([NH3+])COCCOC2C[NH2+]CCC21,0,GDB ChEMBL
369842,CC(C)C1CCCCCC2CC=CC21,0,GDB ChEMBL
18864,C#CCN(CC=C)C1COC1CO,1,GDB ChEMBL
274908,CC1c2cc[nH]c2CC2C(=O)CN1C2CO,0,GDB ChEMBL
62056,CC1(CC(O)C2CC2)CC1,1,GDB ChEMBL
28237,CC(N)CNC(=[NH+]CCO)C1CC1,0,GDB ChEMBL
106664,CCC(=O)c1cc(CC)c(C)c(Br)c1C[NH2+]C,0,GDB ChEMBL
12755,CN(C)C(=O)OC1CNC1=O,1,GDB ChEMBL
322866,CCNC(C#N)(C#N)C(C)CC,1,GDB ChEMBL
204164,N#CC1(CCCO)CCNC(=O)NCC1,1,GDB ChEMBL
33190,CC[NH+]1CC=CCOC2CC21,0,GDB ChEMBL
46014,CC1CCCOCC(=O)CC(C)C[NH2+]C1,0,GDB ChEMBL
228842,OCC12OC1CCC1OC12CO,0,GDB ChEMBL
280718,C#CC(CCOC)(CC1CC1)OC,1,GDB ChEMBL
375163,O=C([O-])CC1(O)C(=O)OCC1c1scnc1O,0,GDB ChEMBL
319133,CC1(C(O)C(N)=O)CCOCCC1C#N,0,GDB ChEMBL
75862,C[NH2+]C1C2OC(=O)CC2=CC1(C)CO,0,GDB ChEMBL
166425,CC1CCCCC2(C)CCCCC2CCC1C,0,GDB ChEMBL
256166,O=C1CC=CCC(C2CC2)C1CO,1,GDB ChEMBL
29500,CN=C(N)NC(=O)OC1CS(=O)(=O)C1,1,GDB ChEMBL
225165,CCC1CC(O)C(CCO)C([NH3+])C(C#N)CO1,0,GDB ChEMBL
247213,C[NH2+]Cc1c(C)c(C(C)C)c2c(c1I)OCC2,0,GDB ChEMBL
66742,C#CCC1C2CCC(C)C(CCO2)C1(C)CC,0,GDB ChEMBL
59585,C#CCC1CCC=CC1CC#N,1,GDB ChEMBL
153230,N=C(N)NC(=O)Cc1noc(N)n1,1,GDB ChEMBL
320770,COC1OC2CC3C[NH+](C)C2C31,0,GDB ChEMBL
332435,CCOC(=O)Nc1c(O)n[nH]c1[O-],0,GDB ChEMBL
167282,COCCN=C(C(C)=O)N1C(=O)NCC1C=O,0,GDB ChEMBL
53027,CC(O)CC(CC#N)Nc1cc[nH]n1,1,GDB ChEMBL
70878,Cc1nocc1C(O)COS(N)(=O)=O,1,GDB ChEMBL
148903,C[NH+]1CCNC2(C1)C(=O)CC2C(N)=O,0,GDB ChEMBL
219535,C#CC1CN(C)CCOCC1=O,1,GDB ChEMBL
17639,c1cn(C2CC2)nc1CC1CC1,1,GDB ChEMBL
48137,C#CCC(CNCC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
235936,CCCc1sncc1CC(N)=O,1,GDB ChEMBL
240372,C[NH2+]C1CC(C)C2(C)OC2C1C,0,GDB ChEMBL
26897,CC1C=CC2CC[NH+](C)C(C2)C1C,0,GDB ChEMBL
387306,CC1CC([NH2+]C2CC2)C2(CCC2)C[NH2+]1,0,GDB ChEMBL
201357,CC1C=CC2CC2NC(=O)C1,1,GDB ChEMBL
35985,C#CC1([NH+](C)CC)CCC(C(C)OC(C)=O)C1,0,GDB ChEMBL
367665,O=S1(=O)CCCN1Cc1cnc[nH]1,1,GDB ChEMBL
4996,N=C(N)NC(=O)CCCOC=O,1,GDB ChEMBL
389638,O=C([O-])C(O)c1c(F)c([O-])c[nH]c1=O,0,GDB ChEMBL
217335,CCC1C(CCCO)=CC2CCOCCC21,0,GDB ChEMBL
391272,OCC1C=Cc2cccc(n2)NC2CC1C2,0,GDB ChEMBL
254898,CC(=[NH2+])NC1(C(N)=O)CC[NH+](C)C1,0,GDB ChEMBL
304381,CCCC1[NH2+]C(C)CC1(CC)C(C)(C)O,0,GDB ChEMBL
97767,CCC1(O)C[NH+](C)C1C(C)CCO,0,GDB ChEMBL
214422,CNC(C)(CO)C(C#N)N=C(N)COC,0,GDB ChEMBL
124857,CC1CC(C(O)C[NH3+])C(=[NH2+])N1,0,GDB ChEMBL
366042,CC1(C)CC2(CC2)CC1CCCO,1,GDB ChEMBL
93439,CCC1N(C(=O)COC)C1(C#N)CN,0,GDB ChEMBL
318067,CC1OC2CNC1C(C(N)=[NH2+])C2O,0,GDB ChEMBL
179107,N=CN(C(=O)c1cnccc1O)c1cc[nH]c1,0,GDB ChEMBL
242923,N#Cc1nc2c(cc1OC(N)=[NH2+])CCCCC2,0,GDB ChEMBL
170105,C[NH2+]CC1(CS(N)(=O)=O)OC1C#N,0,GDB ChEMBL
195286,CC#CC1(C)C[NH2+]C1COC,0,GDB ChEMBL
82148,Cc1cc(Cl)c(N)c(Cl)c1Cl,1,GDB ChEMBL
174001,CC(C[NH+]1CCC1C)CC(C)(C)C,1,GDB ChEMBL
89352,CCC1CC(OC)c2cc(Br)c(C)cc2C1[NH3+],0,GDB ChEMBL
43957,CCC[NH+]=CNCCC(O)C(O)C[NH3+],0,GDB ChEMBL
387039,CNc1nc(-c2ncc[nH]2)cc(Cl)c1C=O,1,GDB ChEMBL
223529,COC1(CO)C2CCC(=O)CC1C2(C)C,0,GDB ChEMBL
387092,N#CC1CCCN(Cc2cc[nH]n2)C1,1,GDB ChEMBL
53864,CCCNc1cn(CC([NH3+])C(C)O)nn1,0,GDB ChEMBL
338133,C#CCOc1c(N)cc(C(C)(O)C#C)[nH+]c1C,0,GDB ChEMBL
345712,CC1C(O)CCOC1C1CC([NH3+])CC1[NH3+],0,GDB ChEMBL
277929,CCCC1(C)CC(C(C)C)C2CCCCC1C2,0,GDB ChEMBL
398889,CC1=CC2(CCCC2)C(CC[NH3+])C(C)(C)C1,0,GDB ChEMBL
75047,C#CCN(C)C1CC[NH2+]CCc2cnc(o2)C1,0,GDB ChEMBL
56660,NC(=[NH2+])NCC(O)C1NC1(C[NH3+])C[NH3+],0,GDB ChEMBL
308246,NC(=[NH2+])C1(C(C(=O)[O-])C([NH3+])C(N)=O)CN1,0,GDB ChEMBL
343260,CCCCCC(C)CN1C(C)C1C,1,GDB ChEMBL
103535,CC1=CC(C)C2CC1c1cc(F)cc(F)c12,0,GDB ChEMBL
247392,CS(=O)(=O)NC1C(C#N)C(N)C1C(O)CO,0,GDB ChEMBL
45730,CC1Oc2c[nH]nc2C(=N)NC1C(=O)[O-],0,GDB ChEMBL
162902,CC1(N)C([NH3+])C2CCC(O)C1C(=O)OC2,0,GDB ChEMBL
374377,C#CCN(C)C(C)(CC)C(CC)[NH2+]CCCC,0,GDB ChEMBL
235655,CCN(C)C(=O)C1(O)C[NH2+]CC2C([NH3+])C21,0,GDB ChEMBL
397054,CC(C)CC1C(C)C1CC[NH3+],0,GDB ChEMBL
386614,C#CC12CN1C(=O)CC(CC)(CC)C2,0,GDB ChEMBL
289832,COC(=O)NC1(CO)CC2CC([NH3+])C1(C)C2,0,GDB ChEMBL
372734,CCC12OC(=O)CC1CN(CC(C)O)C2=[NH2+],0,GDB ChEMBL
348718,CN(C(N)=O)C1C2OCC1([NH3+])CCC2O,0,GDB ChEMBL
331484,C[NH+](CCCO)C1CC(=N)OC1CO,0,GDB ChEMBL
70974,C#CC(O)C1NC(C(N)=O)C(C)(C)S1(=O)=O,0,GDB ChEMBL
221398,COC1CC(C)[NH2+]C2CC(N)(CC2O)C(=O)O1,0,GDB ChEMBL
348819,CCC(C[NH2+]CC(C)=O)C(C)C(=O)N(C)C=N,0,GDB ChEMBL
34889,CCC1C(C)CC2CC([NH3+])C1C2,0,GDB ChEMBL
61947,Cn1cc(NC(=O)C(=O)[O-])c2c(N)noc21,0,GDB ChEMBL
352668,CCCC(C1CC1)C1(CC)CCCC1,0,GDB ChEMBL
255416,CCc1ccc(C2C=CC=C(C)CC2)cc1,1,GDB ChEMBL
35337,CC12CS(=O)(=O)[N-]C(=O)C(O)C1N2CC#N,0,GDB ChEMBL
50988,COC(=O)C1N=C(C=O)OC1CO,0,GDB ChEMBL
278879,COCC1C2N(C)C(=O)C12C,0,GDB ChEMBL
7796,CCOC1COC(=O)C2C(CC)C2C1,0,GDB ChEMBL
103899,CC1([NH3+])CCC(C2CC3C[NH2+]CC2(C)O3)C1,0,GDB ChEMBL
136084,CCC1CCCC2C[NH2+]C(C(O)C2)C1C(=O)[O-],0,GDB ChEMBL
279105,CC(C)C(C(C)O)[NH+]1CC(N)C(O)C1C,0,GDB ChEMBL
247538,COc1c(CC(C)(C)C)c[nH]c(=N)c1F,1,GDB ChEMBL
121101,NC(=O)C1C2COC(=O)CC21,1,GDB ChEMBL
168402,CCC(O)C1CC(COC)C=C1C#N,0,GDB ChEMBL
391706,Cc1ccccc1C(C)C1(C)COC1,1,GDB ChEMBL
184074,CC12CC(C(=O)NC1=O)C(O)C1CN12,0,GDB ChEMBL
367756,CC1CC2[NH2+]CC2(C(=O)C(C)(C)C)C1,0,GDB ChEMBL
34799,C[NH2+]CC1CC(C(=O)C(=O)[O-])[NH2+]CC(C)CN1,0,GDB ChEMBL
211139,CC[NH2+]C1C2NC(=O)OC1C2(N)CC(N)=O,0,GDB ChEMBL
287054,CC(C)CC1C=CCc2cccc(O)c2O1,1,GDB ChEMBL
385499,CC(O)C(C)NC(=N)N1C(=O)OCOC1=O,1,GDB ChEMBL
386611,O=C1NCC(CO)C(O)C1CO,0,GDB ChEMBL
254880,C#CCN(CC[NH3+])CCC(C#N)CC#N,0,GDB ChEMBL
350902,CCC1=CC(C)C(CC2CC2)CCC1,1,GDB ChEMBL
342621,[NH3+]C1C(O)C2[NH2+]CCC2C1COC=O,0,GDB ChEMBL
396707,C=C(CC#CCC)CCCOCC,1,GDB ChEMBL
385389,CNc1cc(N(C=O)C(N)=O)c(C#N)c(N)n1,1,GDB ChEMBL
255431,CCC1C2C(C)CCC(OC)C12,0,GDB ChEMBL
45055,CC1CCC2CC([NH3+])C(C)(CCC1O)C2,0,GDB ChEMBL
222835,CCC1(C)C([NH3+])C1(C#N)C(=O)[O-],0,GDB ChEMBL
388440,CN1C(=O)CN(c2ncc(N)s2)C1=O,1,GDB ChEMBL
247327,CCc1ccc(CC(C)(C)C2CC2C)s1,1,GDB ChEMBL
40866,CCOc1cccc(Br)c1C1(C)NC1C,1,GDB ChEMBL
304072,Cc1ccc2c(c1)CC1=C2CC(C(C)C)C1,0,GDB ChEMBL
358558,CCCCCC1CNC=[NH+]CC(O)C(C)[NH2+]1,0,GDB ChEMBL
93438,C[NH2+]C1CC(O)C(N2CC2CC#N)C(O)C1,0,GDB ChEMBL
95589,C[NH2+]CCC(CC(C)C)C1(C)CC(C[NH3+])C1,0,GDB ChEMBL
113489,NCC([NH2+]CCC1CO1)C(N)=O,0,GDB ChEMBL
362350,COc1c(I)cc2c(N)ncc(O)c2c1N,0,GDB ChEMBL
101935,CCc1ccc(F)c(C2CC3CC3[NH2+]2)n1,0,GDB ChEMBL
244647,CC1=CCNC(=O)C#CC2(O)CCC1C2,1,GDB ChEMBL
36046,CC1CCC(O)C2(CC2)[NH2+]1,0,GDB ChEMBL
377325,CCOc1c(CC([NH3+])CC[NH3+])ccc(C)c1I,0,GDB ChEMBL
318062,CCC1C(C)CC23CC12CCC3OC,0,GDB ChEMBL
378111,CC(O)C(=O)N(C)C1CC12CN(C)C(=O)N2,0,GDB ChEMBL
66612,CN1CC2(CO)CC(CS1(=O)=O)NC2=O,0,GDB ChEMBL
153692,C#CC(C)(C)c1cc(N)c(Cl)c(CCC)c1,1,GDB ChEMBL
353593,CC1C(=O)N2C(C(O)C1C(N)=[NH2+])C2(C)CO,0,GDB ChEMBL
217014,CCOC1CC(C[NH+](C)C)C(N)(C[NH3+])C1,0,GDB ChEMBL
47230,CCC1C2CC(=O)C(O)C([NH2+]C)CC12,0,GDB ChEMBL
51411,CC(O)C1OC(=N)NC1C(=O)[O-],0,GDB ChEMBL
39941,C#CC(C)(C)C1=C(C)CC(CC[NH+](C)C)C1,0,GDB ChEMBL
341181,CC1CCC2C(c3ccncc3)N2C1,0,GDB ChEMBL
124752,C[NH+]1CCN2CCCC1C2,0,GDB ChEMBL
372488,CC(CO)[NH2+]CC1(CCC[NH3+])CN1,0,GDB ChEMBL
361173,Cn1cc(N)c(CCc2cccnn2)n1,1,GDB ChEMBL
190113,C[NH2+]C(C)(C)Cc1cn(CCO)cc1O,0,GDB ChEMBL
366015,C[NH2+]C(C)(C(=O)[O-])C1CCS(=O)(=O)NC=N1,0,GDB ChEMBL
53293,C[NH2+]C1CC(O)C(N)=[NH+]CCNC1=O,0,GDB ChEMBL
19617,COC(C)(CC#CC=O)CCCC[NH+](C)C,0,GDB ChEMBL
372618,CCC1CCC2CC(O)C3CCCC3C1C2,0,GDB ChEMBL
143170,Cc1cc(C2=CCC[NH2+]C2)c(C)cc1F,0,GDB ChEMBL
288609,CC1CCC2C(=O)CC1C2O,1,GDB ChEMBL
127530,CCN1CC1(C)c1ccc(Cl)c(Cl)c1,1,GDB ChEMBL
45952,C[NH2+]C1CCC([NH3+])CC(C)(C)C2COC2C1,0,GDB ChEMBL
286315,C#CC(O)CNS(C)(=O)=O,1,GDB ChEMBL
102110,O=C1NCC2C(O)C2CN1,1,GDB ChEMBL
82184,CCCCCC(C)(CC1CCCCC1C)[NH2+]C,0,GDB ChEMBL
245840,C=CC1C[NH2+]C(COC)C(C=C)C1,0,GDB ChEMBL
119797,N#CC1(CS(=O)(=O)[O-])C(=O)OCC1O,0,GDB ChEMBL
109480,C=C1CC2C(C1)C2(C)CC[NH+](C)C,0,GDB ChEMBL
50094,C=C1C[NH+]2CCCC(C(=O)[O-])CC12,0,GDB ChEMBL
51074,C[NH2+]CC(C)C1(O)CCC(OCC(C)[NH3+])C1O,0,GDB ChEMBL
385949,COc1c(Cl)ccc(Cl)c1-n1ccc(C)c1C,1,GDB ChEMBL
33268,CCCN1C(C)C(C)(OC(=O)CNC)C1C,0,GDB ChEMBL
125660,C#CCC(NCC[NH3+])C1CCCO1,1,GDB ChEMBL
353257,CN(CC[NH+](C)C)CC(O)(C[NH3+])C1CN1,0,GDB ChEMBL
366019,Cc1ccc(C(C)C(O)CC(N)=[NH2+])c(N)c1Cl,0,GDB ChEMBL
6157,CCC1CC(C)(O)C(OC)C(C)(CC)C1(C)C,0,GDB ChEMBL
38499,CC1OC(=O)NC(CO)C(=O)O1,0,GDB ChEMBL
181368,CCCC(C)(C)C1CCC(C)(C)C=C(C)C1,0,GDB ChEMBL
366002,CCC1CCC(C)(C)C1(C)O,1,GDB ChEMBL
181552,CNC=[NH+]CC1CC(=O)N(C)C(=O)O1,0,GDB ChEMBL
150500,COC12CC(C(=O)[O-])[NH+](C)CC1C2,1,GDB ChEMBL
217396,CC1[NH2+]CC2OCCCC(C=O)C12,0,GDB ChEMBL
56657,C#Cc1ccc(CC)c(I)c1N(C)CC,1,GDB ChEMBL
48111,C#CCCCC1(CCC)CC=C(CC)C1,0,GDB ChEMBL
330564,CC[NH+](C)C1C2C=CC(C)C1C1CCC2C1,0,GDB ChEMBL
34771,O=CCC(=O)CC(CC=O)[NH2+]CCO,0,GDB ChEMBL
259673,C#CC1=CC(C)(C2CCCC2)CCC1,0,GDB ChEMBL
112582,CCCC(O)C1C(C)CCC2CC21,1,GDB ChEMBL
170405,C#CCC(C)c1cccc(C#C)c1Cl,1,GDB ChEMBL
1511,C#CC1CCC=C(COC(=O)C(F)(F)F)C1,1,GDB ChEMBL
103531,CC1C2CCC3CC2C(C3)[NH+]1C,0,GDB ChEMBL
180998,O=C1NC=NCCC2OC(C(=O)[O-])C(O)C2O1,0,GDB ChEMBL
31270,CCCC(CC)CCc1c(Cl)cccc1CC,1,GDB ChEMBL
18936,COC1(C)CC(CO)OCOC(C)C1C,1,GDB ChEMBL
228839,CCCOCc1cc(N)c(CCC#N)o1,1,GDB ChEMBL
34787,C[NH2+]C(C)C([NH3+])CCC(C(=O)[O-])C([NH3+])C(C)O,0,GDB ChEMBL
156743,C#CC1OC2C(=O)NCC([NH3+])C1C2O,0,GDB ChEMBL
127003,CCCc1ccc2c(c1)C=CC2,1,GDB ChEMBL
234493,CC#CC1CCC(C)([NH+](C)CCC)CC1,0,GDB ChEMBL
222101,CCOC(=O)CCN1C(=[NH2+])CC1CN,0,GDB ChEMBL
347929,CC1Cc2ccc(F)c(F)c2C(C)C2CC12,0,GDB ChEMBL
50103,CCC(C)C([NH3+])CC#N,0,GDB ChEMBL
243731,Cc1ccc(C2=CC(C)[NH2+]C2)cc1C,0,GDB ChEMBL
341160,CC1CCCC2CC1CCCC1CCCC1C2,0,GDB ChEMBL
222188,CCOc1cn(C)nc1C1C=CCC(C)C1,1,GDB ChEMBL
161068,CC([NH3+])C12CC1C(O)C(CO)C(=O)N2,0,GDB ChEMBL
334644,FC(F)(F)C1CCC=CC1c1ccccc1,1,GDB ChEMBL
47382,CC(C)CC1C=C2CCC(C2)[NH2+]CC1O,0,GDB ChEMBL
160059,N#CC(CCCO)NC1=[NH+]CCCC1,0,GDB ChEMBL
149296,CCC1C#CCCc2cccc(Cl)c2CC1,0,GDB ChEMBL
215725,O=C1CC2CC3CC(N1)C([NH2+]2)C3O,0,GDB ChEMBL
188074,O=c1occ([N+](=O)[O-])cc1CCC1CCC[NH2+]1,0,GDB ChEMBL
34856,COC(C)C1CCC2CCC3C(OC)CC1[NH+]23,0,GDB ChEMBL
37126,C[NH2+]C1CC2CCC3CC(C4C[NH+]34)C2(C)C1,0,GDB ChEMBL
47800,CCC(C)[NH2+]CC(O)S(N)(=O)=O,0,GDB ChEMBL
116633,CC(C[NH3+])NCCOC=NCC[NH+](C)C,0,GDB ChEMBL
185924,CC1=CC2(C=O)CC(NC1=O)C(O)CO2,0,GDB ChEMBL
218294,CC([NH3+])C(C(=O)[O-])C1OC(=O)C2OC21,0,GDB ChEMBL
118726,C#CCc1cc(Cl)c(CC(C)(C)C)c(C#C)c1,1,GDB ChEMBL
286998,Fc1ccc2c(c1)C13CCC1(C=CCO3)N2,0,GDB ChEMBL
66186,C#CC1(O)CC(C)=C(C)C(=O)C1(C)CCC,0,GDB ChEMBL
222593,CCOC1CC2=CC(O)C(O)C2=C1C(N)=O,0,GDB ChEMBL
318371,CN1C2C(=O)NC(CO)C(C2N)S1(=O)=O,0,GDB ChEMBL
53024,Clc1nc2ccc1C#CC1CC(CC2)C1,0,GDB ChEMBL
76478,NC(=O)C1OC1C(C[NH3+])C[NH3+],0,GDB ChEMBL
87120,C#CC(OC)C([NH3+])CCCC1C2C[NH2+]CC12,0,GDB ChEMBL
18855,CCC12CC(NC(C)=O)C([NH2+]1)C2O,0,GDB ChEMBL
291872,NC(CO)C(=O)N1CC([NH3+])C(N)C1=O,0,GDB ChEMBL
26850,CC1c2c(Cl)cccc2C2OC12,1,GDB ChEMBL
92883,C#CCC(NC(=O)C([NH3+])CC(=O)[O-])C(=O)[O-],0,GDB ChEMBL
337438,COCC1=CC2(C[NH3+])CCC(CC2)C1,0,GDB ChEMBL
184909,CCc1ccc(Br)cc1C(C)CC1CC1,1,GDB ChEMBL
379224,CC1=CC2CC23CCc2ccc(Cl)cc2C13,0,GDB ChEMBL
285705,[NH3+]CC1CC2C=CCC(C=CCO2)C12CC2,0,GDB ChEMBL
77272,CCC1C2CCCCC2CC1(C)C,1,GDB ChEMBL
333055,C[NH2+]CC(=O)C(C(=O)OC)C1(CO)CC[NH2+]1,0,GDB ChEMBL
280731,CC1CCC2[NH+](C)CC12C=O,0,GDB ChEMBL
44633,CC1C2OC2C(C)(C(=O)[O-])C1C[NH3+],0,GDB ChEMBL
195444,CC1CCC(C)Nc2cn(C)c(n2)OC1,1,GDB ChEMBL
317172,CCC(CC)C1CCC1(C)C(CC)[NH2+]C,0,GDB ChEMBL
29797,C[NH+]1CCC(O)C2CC1C2(C)C,0,GDB ChEMBL
395922,CCC[NH2+]CC1(O)CC(=O)CC12CCC2,0,GDB ChEMBL
142336,C#CC(O)C(O)C1NCC[NH+]=C(N)OC1CO,0,GDB ChEMBL
19396,C#CCN(C)C(=O)N1CC2CC(C=O)(C2)C1,1,GDB ChEMBL
340124,C=C(C=CC)C(=O)CC1C[NH+](C)C1,0,GDB ChEMBL
120577,CC1CC23OC2CC3C(=O)N1,0,GDB ChEMBL
73848,OCC1[NH2+]CC=CC=C1C1CCCC1,0,GDB ChEMBL
344310,N#CC1[N-]C(=O)C(O)CC1OS(N)(=O)=O,0,GDB ChEMBL
97741,CC(=O)NC1C[NH2+]CC1S(N)(=O)=O,0,GDB ChEMBL
78605,COc1cnc(Cl)cc1N,1,GDB ChEMBL
228517,CC(=O)CCCN(CCO)C(=N)S(=O)(=O)[O-],0,GDB ChEMBL
243765,C#Cc1cc(Cl)ccc1CC(CC)C1CC1,1,GDB ChEMBL
43531,O=C1[N-]S(=O)(=O)CC(COCCO)N=CN1,0,GDB ChEMBL
148516,NC(=O)C1NC2C(=O)N(CC(=O)[O-])C1CC2[NH3+],0,GDB ChEMBL
45015,Cc1c(C[NH3+])nc(C[NH3+])nc1C1CC1C#N,0,GDB ChEMBL
287300,CC12C(C(=O)[O-])OCCCC1C2C#N,0,GDB ChEMBL
354415,CC1[NH2+]C(C(=O)[O-])CC1C(=O)C(=O)[O-],0,GDB ChEMBL
292703,CCC(C[NH2+]C)N=C(CO)NC(N)=[NH2+],0,GDB ChEMBL
263534,CCNc1cc(S([NH-])(=O)=O)on1,0,GDB ChEMBL
353991,CC(OCC1(C)CN1)C(O)CCCC(N)=O,0,GDB ChEMBL
358542,C=CCNC1(COC)COC1C[NH3+],0,GDB ChEMBL
347992,CCC(=O)NC1=NC2COC1C2[NH3+],0,GDB ChEMBL
157109,CCC(CC)C1=CCC[NH+](C)C1C(C)(C)C,0,GDB ChEMBL
48197,CNc1noc(CO)c1S(=O)(=O)NC,1,GDB ChEMBL
117324,CN1C2CC(C(N)=O)C1C1NC12,0,GDB ChEMBL
87141,C#CCc1cc(C)cc(Cl)c1C[NH2+]C,0,GDB ChEMBL
171316,C=CC12CC1C(C(C)CC)[NH2+]C2C,0,GDB ChEMBL
210989,CCCN(C)c1cc2c(c[nH+]1)CC(C)CCC2,0,GDB ChEMBL
185299,O=C1CN2CC(N1)C2C(=O)[O-],0,GDB ChEMBL
67353,CC1CCC(C(CO)OC(N)=O)O1,1,GDB ChEMBL
177184,CCCC([NH3+])C(C)c1cncnc1CCCO,0,GDB ChEMBL
228889,CCC(=O)C1(C#CC2CC[NH+](C)CC2)CC1,0,GDB ChEMBL
394256,C=C1C(=O)NCC=CCCC12CC2,1,GDB ChEMBL
91218,CCC1CC=CCC2CC(C)C1(C)C2,0,GDB ChEMBL
236755,CC[NH2+]C1C(CO)OCCC2C(C)C21,0,GDB ChEMBL
89138,CCCC1c2cc(Cl)nc(C)c2CC1C(C)=O,0,GDB ChEMBL
253563,C[NH2+]C(C)C1CC([NH3+])C(CCCCC#N)C1C,0,GDB ChEMBL
85072,C#CCOC(=O)NC(=O)C1C[NH2+]C1,1,GDB ChEMBL
361128,C#CCCc1cc(C)c(CC[NH2+]CC)c(I)c1,0,GDB ChEMBL
308249,C#CC(C(N)=O)C(C)CC,1,GDB ChEMBL
301417,COC1C(O)C1[NH2+]C(C)C1CC1,0,GDB ChEMBL
126887,Nc1nc(=[NH2+])[n-]c(O)c1OCC(=O)[O-],1,GDB ChEMBL
333634,CC1(O)CC(O)C([NH3+])C1(O)C(=O)[O-],0,GDB ChEMBL
266494,CCC1(C)CCCCC2CC(CC2C(C)C)C1,0,GDB ChEMBL
338999,Fc1ccc(CCC2C=CCCC2)cc1,1,GDB ChEMBL
383102,CCC1CCC2CCCC(C)CC3C(C1)C23,0,GDB ChEMBL
161806,CS(=O)(=O)NC1C2OCC([NH3+])C(O)C(C[NH3+])C12,0,GDB ChEMBL
341316,NC(N)=[NH+]CC(O)C1COC(=[NH2+])N1,0,GDB ChEMBL
381456,CC1CC23CC2(CCN3CC[NH3+])C1O,0,GDB ChEMBL
103400,CC1CCCc2cc(Cl)cc3c2C1CC3,0,GDB ChEMBL
135405,CCC1([NH3+])C2CCOC(C2)C[NH+](C)C1C,0,GDB ChEMBL
396129,C#CCCC1C(C)C2CC=CCC2C[NH+]1C,0,GDB ChEMBL
177100,O=C1CC2CC(N1)C1C(=O)OC21,0,GDB ChEMBL
118479,CCCC1C(C)CC(C)[NH2+]CC#CC1(C)[NH3+],0,GDB ChEMBL
307971,CCc1ccc2c(c1F)CCCCCC2,1,GDB ChEMBL
383677,N=c1cnccc([O-])c1C(N)=[NH2+],0,GDB ChEMBL
196534,CCCC#CCOC1CCC1,1,GDB ChEMBL
281801,CC1=CC2(O)CCC1C[NH+]1CCCC12,0,GDB ChEMBL
50905,CCC(CC[NH+](C)C)C1C(C)C1O,0,GDB ChEMBL
279996,NC(=O)C([NH3+])C1OCC([NH3+])C1CO,0,GDB ChEMBL
79552,C=C1CC(O)CCCC2C[NH+](C)C12,0,GDB ChEMBL
318020,CC[NH+](C)Cc1c(Cl)cccc1CC(F)(F)F,0,GDB ChEMBL
280872,CC1CC(C)C2CCCC([NH2+]2)C(C(C)(C)C)C1,0,GDB ChEMBL
310987,CC1CC2OC13C[NH2+]C(C3)C2O,0,GDB ChEMBL
178058,CCCC1C=CC(C)C2CC12,1,GDB ChEMBL
44071,CN1C(=[NH2+])NC(C(=O)[O-])C(CO)OCC1C=O,0,GDB ChEMBL
383958,CC(=O)NC(=N)CN(C)C(N)=O,1,GDB ChEMBL
102187,N#CCCCCC(=O)[O-],1,GDB ChEMBL
147534,CCN(CC1CN1)C(C)=O,1,GDB ChEMBL
149992,C[NH2+]CC1CC(C[NH3+])C(C)C2OC12C,0,GDB ChEMBL
34179,C#Cc1ccccc1C1(C#N)CC1,1,GDB ChEMBL
338509,COCC(C#N)C1OC(=O)CC1(O)C(N)=[NH2+],0,GDB ChEMBL
93719,CC[NH2+]CC1(C)CCC=C(C)CC1(C)C[NH3+],0,GDB ChEMBL
111599,CC(C)C(C(=O)[O-])S(=O)(=O)N(C)C,0,GDB ChEMBL
252590,Cc1cnc2ccc(F)cc2c1CC[NH3+],0,GDB ChEMBL
334154,CN1C(OCC[NH3+])=NCCC1C(N)=O,0,GDB ChEMBL
186605,CNC(=O)C1OCC2NS(=O)(=O)C(O)C21,0,GDB ChEMBL
363557,CCCC1CC(C#N)C2CN=C(C2)OCCO1,1,GDB ChEMBL
101045,CC1=C(NC(=O)CO)COC1,0,GDB ChEMBL
84851,CC1CC=C(c2cc(Cl)ccn2)C1(C)C,1,GDB ChEMBL
381494,C1=NCCCNc2cc3c(nc2N1)CCC3,1,GDB ChEMBL
77485,CC(=O)C12OCC(=O)NC1(C(=O)[O-])C2(C)C,0,GDB ChEMBL
84947,CC1=CC(C)(O)C(C(C)C)C[NH2+]CCC1,0,GDB ChEMBL
229476,CC1(C)C=C(CCC#N)CCCC1,1,GDB ChEMBL
264978,CCC12CC(C)CC1=CCCC2C(F)(F)F,0,GDB ChEMBL
166457,CCCC1(COC)CC(C(C)C[NH3+])C1,0,GDB ChEMBL
186018,C#CCCc1ccc(C)nc1,1,GDB ChEMBL
257466,CCC(C(C)c1ccsc1)C1CCCC1C,0,GDB ChEMBL
148740,OCC(O)C1OCCC1n1cnnn1,1,GDB ChEMBL
277763,C[NH2+]C(CC[NH3+])(COC)CC1CCCC1,0,GDB ChEMBL
33230,CCCCC1([NH3+])C(C)CC1(C)CC(N)=O,0,GDB ChEMBL
241151,C[NH+]1CC2(CC2)C1CCO,0,GDB ChEMBL
292275,CC(=[NH2+])NCCC1C=C(C)C(=O)N1,0,GDB ChEMBL
2360,[NH3+]CCC1OCOC12CNC(=O)C2O,0,GDB ChEMBL
277991,CC1(C)OCC([NH3+])C(O)C2NC(N)=[NH+]CC21,0,GDB ChEMBL
79304,CC1C[NH2+]C1C1NC(=O)COC(CO)C1O,0,GDB ChEMBL
78638,CCC(CC(C)C[NH3+])[NH+]=CN,0,GDB ChEMBL
339009,[NH3+]C1C(O)CC(=O)NC1C(O)C(=O)[O-],0,GDB ChEMBL
167317,CC1CC(C)(C(C)C)C(C)(C)C2CCC(C2)[NH2+]1,0,GDB ChEMBL
214384,C[NH2+]C1C2NC(=O)C(N)C21C[NH3+],0,GDB ChEMBL
177088,CC(O)C([NH3+])COC(=[NH2+])NCCO,0,GDB ChEMBL
228820,CC1CC2([NH3+])C(C(=O)[N-]S(=O)(=O)C2C)C(=O)O1,0,GDB ChEMBL
358884,C=CCCC(C)=Cc1cccn1C,1,GDB ChEMBL
151190,C#Cc1cccc2c1C1CCC=C(C)C1C2,0,GDB ChEMBL
132483,C[NH2+]C(C)C1(C)CC=C2C(O)C(C[NH3+])CC21,0,GDB ChEMBL
194762,Cn1ccc(=N)[nH+]c1NCC(N)=O,0,GDB ChEMBL
77001,C#CC1C2CCCC(C)(C1C#C)C2CCCC,0,GDB ChEMBL
283259,CCC1(C#N)COCC=C1C,1,GDB ChEMBL
204639,CC(O)C1C(C(N)=O)NC(=O)C2CN21,0,GDB ChEMBL
272507,C[NH2+]C1C2C1C(C)(C)CCN2C,0,GDB ChEMBL
174186,CC12[NH+]=C(N)CCOC(=O)C1NCC2O,0,GDB ChEMBL
280487,CC1(O)CC2(C[NH2+]C2CO)C1,1,GDB ChEMBL
372558,COCc1[nH]ncc1CC([NH3+])CC#N,0,GDB ChEMBL
279113,C[NH2+]CC1CC12C=CC[NH+]2CC1CC1,0,GDB ChEMBL
26429,C#CCC1(CC)CC(OC)C(=O)C1CC,0,GDB ChEMBL
389088,C[NH+](CC#CC#CC1CC1)CC1CC1,0,GDB ChEMBL
281145,C#CC1(O)C2NC(=O)CC(CC#N)NC21C,0,GDB ChEMBL
252862,CCOCCC1Cc2c(C)cc(F)c(C)c2C1,1,GDB ChEMBL
361161,O=C([O-])C1C2C3[NH2+]CCC3OC(=O)N12,0,GDB ChEMBL
41318,CCC(=O)NC(N)=N[C-](C#N)C(=O)C=NO,0,GDB ChEMBL
365820,O=C1NC2C(=O)OC2C(C(O)CO)O1,1,GDB ChEMBL
164686,CCC=CC(C[NH3+])NC(=[NH2+])CC#N,0,GDB ChEMBL
277817,CCC1OC2C(O)(C(=O)[N-]S2(=O)=O)C1O,0,GDB ChEMBL
186757,CCC(C)C1=CC(O)CC(C)=CC1,1,GDB ChEMBL
351358,CC(O)C[NH2+]C1CC(=O)OCC1(O)C(C)O,0,GDB ChEMBL
124128,CC1(C2OC2CCC(=O)[O-])CO1,1,GDB ChEMBL
298226,C#CC1=CCC(=O)N(CCOC)C(=O)C1C,0,GDB ChEMBL
395139,C#CCN(C=O)C(C)(C)CCCC,1,GDB ChEMBL
85831,CC(O)C1CC12CC([NH+](C)C)C(=O)N2,0,GDB ChEMBL
84843,CC12OC1C(O)C1C[NH2+]C2C1,0,GDB ChEMBL
386548,N#CCN(CCC[NH3+])C1CCC1[NH3+],0,GDB ChEMBL
301437,C#CCCC1CC1C(C)CCCC(C)(C)C,1,GDB ChEMBL
44647,CNC(N)=[NH+]CC1C[NH2+]CC(C(=O)C(N)=O)N1,0,GDB ChEMBL
271501,NC(=[NH2+])C(CO)(CCO)CS(N)(=O)=O,0,GDB ChEMBL
95879,[NH3+]CCNC(C(=O)[O-])C1NCC(=O)NC1C[NH3+],0,GDB ChEMBL
26918,Cc1c(C2CC2)cc2c(c1Cl)CCCCC2,1,GDB ChEMBL
6544,COC(=O)NC1C(O)C12CC(C)(C)CC2=O,0,GDB ChEMBL
349459,CCCCC1(C)CC(CCC(C)[NH3+])([NH2+]C)C1,0,GDB ChEMBL
95930,C[NH2+]CC(O)C(O)C1C2N=C(N)OC21,0,GDB ChEMBL
269372,CCCCC1NC(C[NH2+]C)(COC)C(=O)C1=O,0,GDB ChEMBL
363245,CCOC(=O)C(N)C1C2C[NH2+]C1(C)C2,0,GDB ChEMBL
369840,CC1CCN=C(N2CC(O)C(C)(C#N)C2)OC1,1,GDB ChEMBL
193302,CC(=O)c1ncoccccc1C(C)C,0,GDB ChEMBL
227885,CC(=[NH2+])NCC(O)C1CC1C(C)=O,0,GDB ChEMBL
228310,CCC1[NH2+]CC[NH2+]CCC12CC2,0,GDB ChEMBL
31037,N#CC1C(O)C(=O)[N-]C1C(O)CO,0,GDB ChEMBL
6556,CCCC12CC([NH3+])C3NC(=O)C1C32O,0,GDB ChEMBL
260592,Cc1ccnc(O)ncc(=O)cc(C[NH3+])c1,0,GDB ChEMBL
40367,CCC1C2[NH2+]CCCC(C)C12,0,GDB ChEMBL
84931,CC[NH2+]C12CCC(CC3CC([NH2+]C)CC3C1)C2,0,GDB ChEMBL
252553,CCC1CC(=O)CCC(CCC#N)[NH2+]1,0,GDB ChEMBL
37585,CC1(C)CC1C1=CCCCC1=O,1,GDB ChEMBL
93772,CC1CCc2ccc(F)c3c2C1C1C(C)C31,0,GDB ChEMBL
279084,CCC#CC(C)c1c(C)ccnc1O,0,GDB ChEMBL
277744,CCC(C)(CC1CO1)N(C=O)C(C)CCO,0,GDB ChEMBL
355132,COCC1CCC(C)CC1O,1,GDB ChEMBL
286284,CC1Cc2cc(Br)c(Br)cc2C1,1,GDB ChEMBL
33841,CCCC1(C)CC(CC)CCC2CC2C1,1,GDB ChEMBL
319142,N#CC(N)C12CC(C1)C(O)C(=O)N2,0,GDB ChEMBL
199056,[NH2+]=C1NCCCc2c1cc1nc[nH]c1c2Cl,0,GDB ChEMBL
1516,CCC1CC(O)C1C(N)=O,1,GDB ChEMBL
20488,CC1=CC(=O)C(C)C=CC(=O)CCC1,1,GDB ChEMBL
51891,Nc1c[nH]c(Cc2cnc(N)nc2N)c1,1,GDB ChEMBL
375471,CCC1CC(C)C23CCC[NH2+]C2C13,0,GDB ChEMBL
334393,CCC1C(C)CC2(CC2C[NH3+])OCC1O,0,GDB ChEMBL
9675,CCCCOc1n[nH]cc1C(C)(O)C(O)CO,0,GDB ChEMBL
115865,COc1ccc(NC=[NH2+])c(OC(=N)CC=O)c1,0,GDB ChEMBL
13839,CCCc1sc(=O)cc(Cl)c1C(C)C,0,GDB ChEMBL
359129,CC1CC2CC2C(CC[NH3+])C1C,0,GDB ChEMBL
34937,C#CC(CO)(CC(C)C)C1C=CCC([NH3+])C1,0,GDB ChEMBL
171290,C#CC(C)(O)C(C(=O)[O-])C(C)CCC[NH3+],0,GDB ChEMBL
25137,CC(=[NH2+])N(C)C1CC(C#N)CC1(C)C,0,GDB ChEMBL
286166,C#CCc1nccc(Br)c1CCCCCCC,1,GDB ChEMBL
325712,C[NH2+]C1CC1N(C)C1CC1,0,GDB ChEMBL
311302,CCCC1CCC2C(C)C(C(C)C)CC12CC,0,GDB ChEMBL
18676,NC(=O)N1CC2C(CNS2(=O)=O)CC1=O,0,GDB ChEMBL
135433,CC12CCNC(=O)OC1C2,1,GDB ChEMBL
22576,C#CC1CCC(CC)C(C)(C)CC(=O)NC1,0,GDB ChEMBL
186050,[NH2+]=C1NCC2C(=O)OC(CO)C3C2N13,0,GDB ChEMBL
265537,CC(C)C1CC2[NH2+]C1C(O)CC2O,0,GDB ChEMBL
62111,CNC(=O)CS(=O)(=O)N(C=O)CC#N,1,GDB ChEMBL
383329,CC(=O)OCC1(C(N)=O)OC(=O)[N-]C1=O,0,GDB ChEMBL
303909,COCc1c(F)cnc(C)c1OC,1,GDB ChEMBL
325270,CC(CC(O)CO)[NH2+]CC1CC1C,0,GDB ChEMBL
182894,CC1OC1CC1(C)CNC(C#N)C1,0,GDB ChEMBL
186025,O=C1CNC2CCC(CC2)C(=O)C1,1,GDB ChEMBL
160065,COC1(C([NH3+])CC(O)C(N)=O)CC1C[NH3+],0,GDB ChEMBL
350713,NC(=O)n1cc(O)c(C(C[NH3+])NC(=O)CO)c1,0,GDB ChEMBL
234889,CCC1CCC2CC1C(CC)C2(C)CC(C)C,0,GDB ChEMBL
254927,CC(=O)OC1CC2C3CC1C(C)C23,0,GDB ChEMBL
286323,COC1C(C)C2CC2C1C#N,1,GDB ChEMBL
121751,CCCC12CC(CO)CCCC(CO1)C2,0,GDB ChEMBL
262201,CC(O)C(O)C1OC(=N)C(N)C[NH+]2CCC1C2,0,GDB ChEMBL
81551,CC(CS(=O)(=O)NC(=N)N)C([NH3+])CO,0,GDB ChEMBL
307586,C[NH2+]CCC1=CC[NH2+]C2CCC1C2,0,GDB ChEMBL
129402,C#CCC(C=CCCC)CC(C)C,1,GDB ChEMBL
350300,CCC1CC2(CCC(C)C(C)C2)OC1C,1,GDB ChEMBL
204342,CCC1C2NC1C(C)OC2=O,0,GDB ChEMBL
204439,CCC1(C[NH3+])CC2CC(C)C1CO2,0,GDB ChEMBL
338940,NC(=O)N(C=O)c1ncc(F)c(N)n1,1,GDB ChEMBL
61932,C#CC(CNC(N)=O)(CS(=O)(=O)CC)NC,0,GDB ChEMBL
177082,Cc1cc(C(C)C#N)c(CC(C)C)c(Cl)c1Cl,1,GDB ChEMBL
19395,CC(=O)N1C(CC(C)C)=CCCC1CC[NH3+],0,GDB ChEMBL
21848,CC12OC(=O)N3CCN4C(=O)CC1([NH3+])C4C32,0,GDB ChEMBL
330009,C=C1CCC(=O)C2C=CCCCC12,0,GDB ChEMBL
358933,CC1(CCC[NH3+])COC2CC2C2C=CCC21,0,GDB ChEMBL
275466,CCCC[NH+]1CC(C)(C)C2(C[NH3+])CC1C2,0,GDB ChEMBL
58493,CC#CC1=CCC(CCC)C1O,1,GDB ChEMBL
388267,Cc1cnc(O)cc(N)n(C)c(C#N)c1,0,GDB ChEMBL
185319,CCC1CCCc2ccc(F)c(F)c2C1,1,GDB ChEMBL
362168,C[NH+]1CC=C(C#N)C(CO)CC1,0,GDB ChEMBL
161404,CCCc1nc2c(c(O)c1Br)CCC2=O,0,GDB ChEMBL
361661,CC(C)CC1CCC2[NH2+]CC(C)C2(C)C1,0,GDB ChEMBL
174020,CCOC1CCC2C(C)C12C[NH3+],0,GDB ChEMBL
354097,CCCC(CCC(C)c1ccccc1)C(C)C,1,GDB ChEMBL
377793,CC1CCC2[NH2+]CC3CC2(CO1)C3,0,GDB ChEMBL
355777,CC(C)C1[NH2+]C1C(C)CCO,0,GDB ChEMBL
67862,CCC#Cc1ccc(Cl)c2c1CC=CC2,1,GDB ChEMBL
384844,CC1([NH3+])CC([NH3+])C(O)C(O)C(O)C1,0,GDB ChEMBL
67335,COC(CO)C1[NH2+]CC2C(C(=O)[O-])C([NH3+])C21,0,GDB ChEMBL
306285,Cc1[nH]c(O)c(CC(O)CO)c1S(N)(=O)=O,0,GDB ChEMBL
317735,O=C([O-])C(CO)OC1C=CC(O)CC1O,0,GDB ChEMBL
3932,N#CC#CC(O)CCC[NH3+],0,GDB ChEMBL
260141,C1=CCC2(C1)CCCC[NH2+]C2CCN1CC1,0,GDB ChEMBL
195401,C=CC1CC=CCC[NH2+]CCC1C,0,GDB ChEMBL
290301,CCC1CC=CC(C)C1C(O)C1(C)CC1,0,GDB ChEMBL
151736,CC1Cc2c[nH+]c(N3CC([NH3+])C3)n2C1,0,GDB ChEMBL
277883,C=CCC1C(O)CCC2CCC1C2,0,GDB ChEMBL
90345,CC1CC=CC2C3CCC(C3)C2[NH2+]1,0,GDB ChEMBL
290113,NC(=O)CCn1nc2cc(N)cnc2n1,1,GDB ChEMBL
377964,CCC([NH3+])CC1CN=C(C(N)=O)NC1,0,GDB ChEMBL
348680,CS(=O)(=O)NC12C[NH2+]C(C1)C2n1ccnn1,0,GDB ChEMBL
118822,C#CCc1cccc(C)c1C([NH3+])CC(C)C#C,0,GDB ChEMBL
221962,CC[NH2+]C(C(C)CC(N)=[NH2+])C1CCC(O)CC1,0,GDB ChEMBL
159702,NC(=O)CCC1(O)CC1,1,GDB ChEMBL
379262,CCC1C2CC(C)C([NH+]2C)C1(C)C,0,GDB ChEMBL
29821,CCNC(=O)CC1(CO)C=C(C[NH3+])C(=O)N1,0,GDB ChEMBL
336583,C#CC(CCC(F)(F)F)c1cc(Br)ccc1Br,1,GDB ChEMBL
284298,CCC1CC(C[NH3+])C2C[NH+]1CC21CCC(=O)O1,0,GDB ChEMBL
287301,C#CC[NH2+]C1CC2(C)CCCC1(CC)CC2=O,0,GDB ChEMBL
246962,C[NH2+]C1CC1C(C(C)O)C([NH3+])CC(N)=O,0,GDB ChEMBL
48048,CC1OCC([NH3+])C(N(C=O)C=O)C1C(O)C[NH3+],0,GDB ChEMBL
217349,COCC([NH3+])Cc1n[nH]c(=N)c(Cl)c1C,0,GDB ChEMBL
95514,CC12[NH2+]C(C(=O)[O-])C3CCCC1(C=O)C32,0,GDB ChEMBL
92288,CC1CCCCC(C2=CCCC2)[NH2+]1,0,GDB ChEMBL
204320,CCCN1CC(C)(C#N)NC(=[NH2+])C1C1CC1,0,GDB ChEMBL
175734,CCC1CC2CC1(C)C(C)C2(C)O,1,GDB ChEMBL
355196,CNC(=[NH2+])NC1(C#N)COC(CO)C1C(C)=O,0,GDB ChEMBL
130178,CCC1CC(C(F)(F)F)CC1(C)C(C)(C)C,0,GDB ChEMBL
91181,N=C1NC(=O)C2OC1C2(N)CC([NH3+])C(=O)[O-],0,GDB ChEMBL
190514,CNc1ccc2c(c1F)C1C(C2)CC2CC21,0,GDB ChEMBL
295880,CC1C2[NH2+]CC1(C1CC1)OC2CO,0,GDB ChEMBL
386653,COC(=O)c1scnc1C=O,1,GDB ChEMBL
76435,[NH3+]CC1CC(CO)OC(C(=O)[O-])=N1,0,GDB ChEMBL
61730,CNC(CO)=[NH+]CC(O)C(N)=O,0,GDB ChEMBL
22491,CCOC1C2C(O)CC(C2C#N)C1[NH+](C)CC,0,GDB ChEMBL
346838,CC12CC(C(CC3CCC[NH2+]3)C[NH2+]1)C1CC12,0,GDB ChEMBL
222203,CC(C[NH3+])C(CCO)C1CC(C#N)C(N)C1[NH3+],0,GDB ChEMBL
165662,O=CN1CCCOc2nsnc2C(=O)C1=O,0,GDB ChEMBL
54118,CCC1CC([NH3+])C(CC(C)C)C2OC2C1,0,GDB ChEMBL
348678,CC1CC12CC(C[NH3+])OC2=O,0,GDB ChEMBL
219502,N=C1CC([NH3+])(CC[NH2+]CC(=O)[O-])C(=O)N1,0,GDB ChEMBL
38154,CCOCC(C)C1CCC=C(C[NH3+])C1,0,GDB ChEMBL
175539,CCOc1cc[nH+]c(N)c1,0,GDB ChEMBL
109760,N#CC1COCC(CCO)C1,1,GDB ChEMBL
28227,CCC1CC1C1(C(CO)[NH2+]C)CC1,0,GDB ChEMBL
81449,CC1CN=C2NC(=O)OC(C)(CO)COC2C1,0,GDB ChEMBL
252719,CC[NH+]1CCCC2CC2(C)C1,0,GDB ChEMBL
163834,CC1NC(=O)C2C(CO)N2C1=O,1,GDB ChEMBL
124807,CCC1C(C(C)OC(=O)CN)N1C,0,GDB ChEMBL
179270,CC1COC(C)C2C(C[NH3+])C2C1,0,GDB ChEMBL
115292,CC(O)CNc1nsnc1[NH+]=C(N)N,0,GDB ChEMBL
350253,CNC(=O)CC1CC(C)(OC)C1(C)[NH3+],0,GDB ChEMBL
167307,CN1C(=O)OCCC2C(O)C21,0,GDB ChEMBL
203167,CC1[NH2+]C2CCCOC(C(=O)C(=O)[O-])OC1C2,0,GDB ChEMBL
233925,CC[NH2+]C(C)c1cc(C2CC2)ccc1I,0,GDB ChEMBL
23551,NS(=O)(=O)C(O)CC(CO)CC[NH3+],0,GDB ChEMBL
60952,C[NH2+]C1CCC(C)(C)C2CN(C=O)C1CCO2,0,GDB ChEMBL
89382,N#CC(O)c1scnc1C(N)=O,1,GDB ChEMBL
366918,C#CC1C(O)CCOCCC1C(C[NH3+])CCC,0,GDB ChEMBL
124846,CC1C(=O)C2CC(O)C1C[NH2+]2,0,GDB ChEMBL
230278,NC(=[NH2+])Nc1cccc(Cl)c1CC(N)=O,0,GDB ChEMBL
361810,CCCN1C=CC=CC=C(C)C1=O,0,GDB ChEMBL
137377,CCC[NH+](C)C1CN=C2NCCOC2(CO)C1,0,GDB ChEMBL
77781,CC(O)C1CC1C1(C(N)=O)CC1,1,GDB ChEMBL
244305,[NH2+]=c1ccoc2cc(CO)cc(Cl)c2nc[nH]1,0,GDB ChEMBL
124181,CC(O)c1ncc(Cl)c2c1CNC2=O,1,GDB ChEMBL
314131,Cc1c(CC[NH3+])cc2oc(N)cc2c1F,0,GDB ChEMBL
46890,C#CCCCC(C)CC1CC12CCCC2O,0,GDB ChEMBL
135785,CC1COC(=[NH2+])NC1C1CC1,0,GDB ChEMBL
331526,CC(CO)c1cccc2cccc(F)c12,1,GDB ChEMBL
354115,COCC1CC(C(C)=O)C2C[NH+]1C2,0,GDB ChEMBL
276182,CC1CC(C)C(C)c2c(O)[nH]c3cccc1c23,0,GDB ChEMBL
101528,CCC(=CCC(C)C)CC=CC[NH3+],0,GDB ChEMBL
221377,CCC(O)(CC(=[NH2+])NC)C1(C)COC(=O)C1C,0,GDB ChEMBL
118862,COCCNc1c[nH+]cn1C1CC1,0,GDB ChEMBL
93086,[NH3+]C1C2CC(C(=O)[O-])OC(O2)C1CO,0,GDB ChEMBL
297262,C[NH2+]C1CC(O)(C#N)C(O)(CC[NH+](C)C)C1O,0,GDB ChEMBL
94721,C#CCCC1C2CC(C1CC)C(C)(O)C2,0,GDB ChEMBL
103401,C#CCC1(C)CC1(CCCC)C[NH2+]CC,0,GDB ChEMBL
42567,CCOCC1(C)NC1C(=O)OC,0,GDB ChEMBL
182229,COc1c(C)cc(CC#N)c(O)c1C,1,GDB ChEMBL
31328,COC(C)CN1CC(C(N)=[NH2+])(C(C)C#N)C1,0,GDB ChEMBL
231111,CC(=O)NC(C#N)C(O)C1CN1,0,GDB ChEMBL
349651,N=C(C=O)NCC1CC(C(=O)[O-])NC(N)=[NH+]1,0,GDB ChEMBL
81512,N=C(NC=O)OCCC([NH3+])C(=O)[O-],1,GDB ChEMBL
262243,OCC1[NH2+]C2CCC1C2,1,GDB ChEMBL
266246,CC1CCC=CCC1C1CC2CCCC2C1,0,GDB ChEMBL
190337,CCC1(C)CCC2C=CCCCCC21,0,GDB ChEMBL
313732,OC1C2CC[NH2+]C1C1(CC2)CO1,0,GDB ChEMBL
186713,O=Cc1c(Cl)cnc2cccn12,1,GDB ChEMBL
368214,C=C1CC([NH2+]C)C(O)C1CC=CC,0,GDB ChEMBL
361785,CC(C)C12CCC3c4cccc(Br)c4C1C32,0,GDB ChEMBL
363821,[NH3+]Cc1cc2c(c(C[NH3+])c1Cl)OCC21CC1,0,GDB ChEMBL
387200,CCn1nc(O)cc1CC(C)c1csc(C)c1,0,GDB ChEMBL
81497,CC1C[NH2+]CC2CC2(C)[NH+]1C,0,GDB ChEMBL
112075,CCC(C)(Cn1cncc1CO)OC,1,GDB ChEMBL
37326,C=CC(C)OC(=O)N(C=O)C(N)=O,1,GDB ChEMBL
274957,CC(=[NH2+])NC(CN)CNC(N)=O,0,GDB ChEMBL
239969,CCC1C=CC2CN(CC2CC)C(=O)NC1,0,GDB ChEMBL
41629,COCC1CCCCC(C)CC(=[NH+]CCO)N1,0,GDB ChEMBL
38164,CCC(C)CCC(C#CC(C)(C)C)CC,1,GDB ChEMBL
207351,CCN(C)C(N)=[NH+]C1(CCC=O)CC1,0,GDB ChEMBL
143833,CC12C[NH2+]CC(CCC=CC(O)C1)CO2,0,GDB ChEMBL
9682,CN1CCc2c(C[NH3+])nn(CC(F)(F)F)c21,0,GDB ChEMBL
285743,CCCC1CC=CC2CC1C(C)(OC)C2,0,GDB ChEMBL
84872,COC(CO)C(=O)CC(=O)CN(C)C=[NH2+],0,GDB ChEMBL
394318,Cc1csc(N)ncnc(CCC(=O)[O-])n1,0,GDB ChEMBL
222543,Cn1c(NCC=O)c(NC(N)=O)cc(N)c1=O,1,GDB ChEMBL
118177,C#CC1=CCC(C)C(C)[NH+](C(C)C)C1,0,GDB ChEMBL
7784,N#CCC(N)(CC(N)=O)C([NH3+])C(O)CO,0,GDB ChEMBL
243926,CN1C(=O)NCC(N)C(C(N)=[NH2+])C1=O,0,GDB ChEMBL
339944,CCN1CCc2ncccc21,1,GDB ChEMBL
368516,CC(C#N)OC(C)C([NH3+])C(=O)[O-],1,GDB ChEMBL
21739,CCCCC(C(CC)C1(C)CC1)C(C)(C)C,0,GDB ChEMBL
249854,NC(=O)CC([NH3+])C(N)c1noc(=O)[nH]1,0,GDB ChEMBL
174177,NS(=O)(=O)CC1C2CC2NC(=O)C2OC21,0,GDB ChEMBL
177311,CC1[NH2+]CC2C3N2S(=O)(=O)CC13C(=O)[O-],0,GDB ChEMBL
284860,CC1CC(C[NH3+])C(=O)OC2CC2[NH2+]1,0,GDB ChEMBL
42233,CCC([NH3+])C(O)C1(C[NH3+])CO1,0,GDB ChEMBL
19605,CCCCOC(C)c1cc(C)c(NC(C)=O)s1,1,GDB ChEMBL
23583,CC1=CC2CCC(C)(C2)[NH2+]CCCC1,0,GDB ChEMBL
331476,Cc1cc(C)cc(C(=O)c2ccoc2)c1,1,GDB ChEMBL
58936,C#CC1C(C)C[NH+](C)CC1C,0,GDB ChEMBL
196755,CC1(C)OC(=NCCCO)c2ccsc21,1,GDB ChEMBL
284892,CCC1=CCCCC12CCC2CCC(C)C,0,GDB ChEMBL
81080,CC(CCO)[NH2+]CC1CC1C,1,GDB ChEMBL
188116,CCC(C)C[NH2+]C1CC2CC([NH3+])C1N2,0,GDB ChEMBL
147445,CCNC(=O)C1C2OS(=O)(=O)NC21C[NH3+],0,GDB ChEMBL
261324,CC(C)C1C(C)CCCC=CC1(C)O,0,GDB ChEMBL
236558,COc1cc(C[NH3+])sc(=O)c1C(=O)[O-],0,GDB ChEMBL
360797,CCC1(CC#N)COCC1=O,1,GDB ChEMBL
161015,COC(=O)N1CS(=O)(=O)N2CC2C1C(C)O,0,GDB ChEMBL
97209,c1cc2c(cn1)CCC(c1ncc[nH]1)OC2,1,GDB ChEMBL
359196,CCC1(C)C[NH+]=C(N)NC1(C)Cc1ncc[nH]1,0,GDB ChEMBL
345772,CCC(c1ccc(F)c(C)c1C)C(C)(C)CC,1,GDB ChEMBL
338293,CC1NC(=O)C2=CC([NH3+])CC21,0,GDB ChEMBL
118160,CCC1(CC(C)C)CC(OC)C(CC(C)C)[NH2+]1,0,GDB ChEMBL
203301,[NH3+]C(C(=O)[O-])C(O)C1OC(=O)C(O)C1[NH3+],0,GDB ChEMBL
337194,N#CCCNC1(C#CCO)CC1,1,GDB ChEMBL
29697,COc1c(C2CC2)ncc(NCC[NH3+])c1O,0,GDB ChEMBL
119268,NC1=[NH+]C2C(=O)NCC2(O)CN1,0,GDB ChEMBL
153336,CCC1CC2CCC(C)C(C)(C2)C(O)C1,0,GDB ChEMBL
323948,NC(=O)CC1C(C[NH3+])N1CC(O)C[NH3+],0,GDB ChEMBL
180057,CC([NH3+])CC(O)C1NCC(C(O)C[NH3+])OC1=O,0,GDB ChEMBL
45978,CC1CN(CC2CC[NH2+]2)C(C(=O)[O-])C(C)O1,0,GDB ChEMBL
140379,C#CCC12CC(C)CCC1[NH+]1C(C)CCC1C2,0,GDB ChEMBL
45078,C#CCC(C#N)CC(C=O)CC1CCCCC1,1,GDB ChEMBL
325879,C#CCCC(C)(C=C(C)C=C)CO,0,GDB ChEMBL
285104,CC(=O)CCC(O)c1ncc(C#N)s1,1,GDB ChEMBL
46934,C[NH2+]C1CNCC(OS(N)(=O)=O)C1O,0,GDB ChEMBL
276081,N#Cc1ccc2ccc(F)cc2cc1=N,1,GDB ChEMBL
51094,CNC(C#N)C(C)(C[NH3+])C(NC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
190035,C#CCCC(C)(C)C1(CC(C)C)C[NH+](C)C1,0,GDB ChEMBL
275609,CCc1nocc1C1(O)CC1,1,GDB ChEMBL
368493,CC(O)c1ccc(N(C)C)c(C(N)=O)n1,1,GDB ChEMBL
41637,CC1CC(C(C)(O)C(=O)N(C)C)NC1C#N,0,GDB ChEMBL
273632,CCOC(CCO)CC(O)(CO)C(=O)OC,0,GDB ChEMBL
106009,CCC1[NH2+]C2C=CCC1CC2C,0,GDB ChEMBL
203882,C#CCc1ncc(C(CC)=N[O-])c(O)c1C,0,GDB ChEMBL
104721,CC1CC(C(N)=O)OC2COCC(=O)C2[NH2+]1,0,GDB ChEMBL
244538,C[NH+]1CCC2CNC(=O)C3(C1)NC23,0,GDB ChEMBL
65620,O=C1OCCC2CCC3C1CCC23,0,GDB ChEMBL
121765,N#CC1N=C(N)NC(C(O)C[NH3+])C1O,0,GDB ChEMBL
389622,CCCCC1CCC2[NH2+]CC3(C)CC(=O)C1C23,0,GDB ChEMBL
157468,CCC1(CC)CCCCOC1,1,GDB ChEMBL
234375,CCCCC1C(C)C=CC12C=CCC2,0,GDB ChEMBL
174222,CCCN1CCC(OC)C(=O)CCC(C#N)C1,0,GDB ChEMBL
81145,NC(=O)C(O)C1CCC12CNS(=O)(=O)C2,0,GDB ChEMBL
83055,CCCCC(=NO)C(C)(O)CCC(C)O,1,GDB ChEMBL
2396,C[NH2+]CC1(O)C(C)C1C#N,0,GDB ChEMBL
268157,CCNC(=O)C(C)([NH3+])C(OC=N)C(O)COC,0,GDB ChEMBL
75436,CNc1c(N)nc(OC)c(OCC#N)c1Br,0,GDB ChEMBL
204581,CCOC(=O)C(CO)C1NCC(=O)C1C(N)=O,0,GDB ChEMBL
126605,C[NH2+]C1CC(C)C2C3OCC(C3=O)C12,0,GDB ChEMBL
149380,C#CCc1c(CCC)cc(F)c(F)c1C,1,GDB ChEMBL
230689,COCC1NC(CC(C)O)C2[NH2+]CC(O)C12,0,GDB ChEMBL
292513,NC(C[NH3+])C([NH3+])C1(C(=O)[O-])COC1,0,GDB ChEMBL
134472,NC(=O)C(N)C1C(O)C1(O)C[NH+]=C(N)N,0,GDB ChEMBL
160021,O=C1CC(C(=O)[O-])n2cncc21,0,GDB ChEMBL
251428,CC(=O)N1CCC(C)C1C(CO)[NH+]1CCC1,0,GDB ChEMBL
386213,C#Cc1[nH]nc2c1C1CC[NH+](CCC2)CC1,0,GDB ChEMBL
309206,C[NH+](C1CC1)C1(C)C(CO)C1(O)C[NH3+],0,GDB ChEMBL
43546,[NH2+]=C1NCC2N1C2(CO)C(C[NH3+])C(=O)[O-],0,GDB ChEMBL
177035,N#CC1NC=NCC([NH3+])CC(O)C1C(N)=O,0,GDB ChEMBL
65957,C1COC(CC2C[NH2+]C2)C1,0,GDB ChEMBL
249829,CCC(=O)Nc1cc(=O)ccc2c1C(O)CC2,1,GDB ChEMBL
335497,NC(=O)C12CC(CN=C1N)C(=O)O2,0,GDB ChEMBL
305494,CC(C)[NH2+]C12CC1N(C)CCC(C)C2O,0,GDB ChEMBL
33540,O=C([O-])C1C2CNS(=O)(=O)C1NCCO2,0,GDB ChEMBL
307955,CC1OC(C=NO)C[NH2+]C1CC(O)C(=O)[O-],0,GDB ChEMBL
228378,CCC1C([NH3+])CC(C(C)O)C1C(C)CO,0,GDB ChEMBL
156219,CCC(C[NH3+])(C[NH3+])C(=N)OCC(C)C,0,GDB ChEMBL
28195,CCNC(N)=[NH+]Cc1ccsc1,0,GDB ChEMBL
164685,Cn1nc([N-]S(C)(=O)=O)c(C(C)(C)CO)n1,0,GDB ChEMBL
285735,C=C(C)C1C(=O)C(O)C2C[NH2+]C1C2,0,GDB ChEMBL
99837,CCC1CC2CC2C2CC1NC2=O,0,GDB ChEMBL
215837,COCC1C=CCC(C)CC2CC2C[NH+]1C,0,GDB ChEMBL
389443,COC(=O)N(C)CC(CNCC(N)=O)=NO,1,GDB ChEMBL
177110,CCC1CCC2=CCCCCC21CC,0,GDB ChEMBL
90283,CC1=CC2(CCC2)CN(C)C(=O)CC1O,0,GDB ChEMBL
394880,CC#CC(O)C1CCCN1C=[NH+]CC(N)=O,0,GDB ChEMBL
211173,CC1CN2CC2C(C(=O)[O-])C2(CC2)[NH2+]1,0,GDB ChEMBL
259699,C#CC(C)C1OCC1[NH2+]CCC,0,GDB ChEMBL
133133,CC(O)c1cnnn1CC(=O)[O-],1,GDB ChEMBL
377816,NC(=O)CC1C[NH2+]C2C(O)C12N,0,GDB ChEMBL
244591,CCCCCC1C=CC2C1C[NH+]1CC21,0,GDB ChEMBL
318143,CCCC1CC(C)CC2(C=CCC2=O)O1,0,GDB ChEMBL
99403,CC[NH2+]CCCCCCC(C=O)C=O,0,GDB ChEMBL
95873,CC12C(=O)N(C(N)=O)C(CC1O)CS2(=O)=O,0,GDB ChEMBL
366487,CNC(=O)C1C(=N)OC(C)(C(=O)[O-])C1[NH3+],0,GDB ChEMBL
6032,CC([NH2+]C1C(O)C1C([NH3+])CO)C(=O)[O-],0,GDB ChEMBL
141819,CCC1C2CC(C)OC(=O)C2C(C(N)=[NH2+])N1C,0,GDB ChEMBL
17084,CC(C)C12C=CC(CC([NH+](C)C)C(O)C1)O2,0,GDB ChEMBL
223996,C[NH2+]C1C(C#N)C2CCC(=O)C2C1CCO,0,GDB ChEMBL
179324,CCC([NH3+])C(O)C=CCOC(C)C,1,GDB ChEMBL
112430,CCCCC(C)C1C=CC2CCC=CC2C1,0,GDB ChEMBL
109772,CC1CCC2CC(C)OCCC2C1,1,GDB ChEMBL
338262,CC1CC2C=CCC(O)C1C2(O)C(=O)[O-],0,GDB ChEMBL
349649,C#CC(CC)CCCCc1cc(F)cc(F)c1,1,GDB ChEMBL
44067,CCOC(=O)NCS(=O)(=O)CC(N)=O,1,GDB ChEMBL
201700,CCCCc1csc2c(OC)cc(Cl)cc12,1,GDB ChEMBL
26961,CCC1CCCCCC(C)C1(C(C)C)C(C)C,0,GDB ChEMBL
374891,CC12CC(C)(O)C(CC(O)COC1=O)C2=O,0,GDB ChEMBL
135837,CC[NH2+]C1C2C(O)CCC12O,0,GDB ChEMBL
317956,C#CCc1cc(C(C(C)C)C(C)C)ccc1Cl,1,GDB ChEMBL
279295,C#CCc1cc(C)c(CCCCCC)cc1Br,1,GDB ChEMBL
44585,CNc1nc[nH]ccc(C)c(O)c1[O-],0,GDB ChEMBL
261229,CCC1OC(C(=O)[O-])CC2([NH3+])COC1C2,0,GDB ChEMBL
290277,CC(=O)CC1C(=[NH2+])N(C)CCc2cncnc21,0,GDB ChEMBL
53058,Cc1cnc(=N)[nH]c(=O)cc(N)[nH+]c(N)n1,0,GDB ChEMBL
372146,CNC(=O)C(OC)C(N)C(=O)NC=N,1,GDB ChEMBL
249838,CC[NH2+]C1CC2C[NH2+]CC=CC2(O)CC1C,0,GDB ChEMBL
201728,N#CC1COCC[NH+]=CN(C2CC2)C1,0,GDB ChEMBL
61292,CCC(C)c1c(C(C)O)csc1C,1,GDB ChEMBL
289797,COC1C(=O)OC2(CC2)C1C,1,GDB ChEMBL
366620,[NH3+]CCC(O)(CO)C(O)CO,0,GDB ChEMBL
223517,C[NH2+]C(CO)CNc1nn[nH]n1,1,GDB ChEMBL
222576,CC1(Oc2cccc(O)c2)CC=CC(=O)C1,1,GDB ChEMBL
121959,CN1C(=N)CC(C(N)=[NH2+])CNC1=O,0,GDB ChEMBL
294454,CCCCC1CC(C)(CC)CC(C)C1CCC,0,GDB ChEMBL
372167,COCCC[NH+]=C1CCC2CC3(CC3)CN12,0,GDB ChEMBL
33342,CCC(CC1CCCC1C)C(C)CCC(C)C,0,GDB ChEMBL
100737,CCCC1CC2C(C)[NH+]1C2CC(=O)[O-],0,GDB ChEMBL
156070,Nc1cc(O)c2c(N)ncnc2n1,1,GDB ChEMBL
148773,CC(C)(CNC=O)C1C=CCO1,1,GDB ChEMBL
184657,CC(C)CCC1(C)CCCC1C,1,GDB ChEMBL
234263,CCCC1C2C=CCCC=CCC2C2CC12,0,GDB ChEMBL
30357,CC[NH2+]CCNc1ccnc(=NC(C)C)nc1,0,GDB ChEMBL
388438,Cc1cn(C(C#N)C(C)(N)C(O)CCO)nn1,0,GDB ChEMBL
34283,[NH3+]C1(CO)C(O)CCNC(=O)CC1O,0,GDB ChEMBL
301154,CNC1(C(N)=O)COC(=N)CC(O)C1CO,0,GDB ChEMBL
372212,CCNC(=O)n1nnc(C(N)=O)c1C,1,GDB ChEMBL
71696,O=CC1CCCC1,1,GDB ChEMBL
359174,C#CCc1c(CCCCC)cc(C)c(Cl)c1C,1,GDB ChEMBL
160801,CNC(=O)C1OC(=O)NCC1=O,1,GDB ChEMBL
130835,Cc1ccn(C2CC2)c1CCCO,1,GDB ChEMBL
122904,C#CCCC(C)c1c(Br)c(C)cc2c1CCN2,1,GDB ChEMBL
230221,Cc1ccnc(O)sc(NC(=N)N)nc1N,0,GDB ChEMBL
363834,CC(=O)OC1CC(C)CC1CCC(C#N)=N[O-],0,GDB ChEMBL
239373,CNC(=O)c1cncc(Cl)c1N,1,GDB ChEMBL
62094,CC[NH2+]C(C)C1OC(C[NH3+])CC1(C)[NH+](C)C,0,GDB ChEMBL
203418,CCC1C(C)=CC2(C)C(C)CCC12,0,GDB ChEMBL
11010,COC(CCO)CC(C[NH3+])CC(C)(C)C,0,GDB ChEMBL
344247,C#CCc1ccnc2c(C)c(OC)ncc12,1,GDB ChEMBL
279117,C[NH+]1CC2C1C1(C)CC2(O)CCOC1=O,0,GDB ChEMBL
174918,Cc1[nH+]c(N)nc([O-])c(=N)c1CCO,0,GDB ChEMBL
195508,CC1(C)C#CCCCCC=CC=C1CC[NH3+],0,GDB ChEMBL
261399,CN(Cc1coc(N)n1)C(C#N)CC(N)=O,1,GDB ChEMBL
383923,COCC1C(C)[NH2+]C2(CC(O)C[NH3+])CC12,0,GDB ChEMBL
111889,CN=C1CC(C)(O)CCO1,1,GDB ChEMBL
309853,[NH3+]C12CC(=O)NCC=C1CCC2O,0,GDB ChEMBL
273415,Cc1scnc1CC[NH2+]C1(C)CCOC1,0,GDB ChEMBL
299190,CC1CC[NH2+]CC(C[NH3+])CCC2CC[NH+]2C1,0,GDB ChEMBL
191319,C[NH2+]C1C2CCC3C2C[NH+](C)C31,0,GDB ChEMBL
34442,CCc1ncc2nc[nH]c2c1CC1CC[NH2+]1,0,GDB ChEMBL
274609,CC1CCC2(C)C3CCCC(CC3)CCC2C1,0,GDB ChEMBL
119836,Cc1nccc(CC2(C)CCCCC2C)c1C,1,GDB ChEMBL
130251,c1ccn2ccccc2nc2ccoc2c1,0,GDB ChEMBL
331488,CC1CC2CCCOC(O2)C1CC(O)CC[NH3+],0,GDB ChEMBL
134424,CCn1cnc2ccnc(OC)c21,1,GDB ChEMBL
71699,C=C(C[NH2+]CC)C(C(C)C)C1CC1,0,GDB ChEMBL
277404,CC(C)C1C(C)CC2CCCC21C,0,GDB ChEMBL
76722,NS(=O)(=O)OCC(O)C=CC([NH3+])CO,0,GDB ChEMBL
81474,CCCC1C=CC(=O)N1C(=N)S(=O)(=O)NC,0,GDB ChEMBL
355289,NC(=O)C1C(O)C2CC([NH3+])C1CO2,0,GDB ChEMBL
190399,N#CC(=O)OC(CNC=O)C([NH3+])CO,0,GDB ChEMBL
240458,CCC1CC2C(C)CC1CCCC2(C)C(C)C,0,GDB ChEMBL
281038,CC(CC#N)(OC(=O)CO)C(N)=O,1,GDB ChEMBL
5867,O=C1NCC2=NCC(CO)N12,0,GDB ChEMBL
260738,CCCCC#CCC1C2C=CC1C(CC)C2,0,GDB ChEMBL
99140,C[NH2+]C(C)C1(C(N)C(=O)[O-])NC1C(N)=O,0,GDB ChEMBL
334103,CN=C1CN(C(=O)C(O)C[NH3+])C(C#N)C(=O)O1,0,GDB ChEMBL
43926,CC12C=CCCC1CC([NH+]1CCC3CC31)C2,0,GDB ChEMBL
61905,CC1C2OC(C)(CC2O)C1C#N,1,GDB ChEMBL
361765,CC[NH+]=C(N)C12OC1C=CC[NH+](C)C2CC,0,GDB ChEMBL
127237,Cc1nnsc1CN1CC(O)CC1C#N,1,GDB ChEMBL
184276,COCC([NH3+])C(O)C([NH3+])C(C)O,0,GDB ChEMBL
339044,COC1OC(C)(C)C(CC#N)C(O)CC1=O,0,GDB ChEMBL
266468,CS(=O)(=O)NCC1NC2C(C[NH3+])NC1C2O,0,GDB ChEMBL
184121,COCCCc1[nH]nnc1C#N,1,GDB ChEMBL
93773,NC(=O)NC(=O)OC1(C(=O)[O-])CC1,1,GDB ChEMBL
101495,CNC(=O)C1C(C[NH3+])OC(CO)C1CC(C)O,0,GDB ChEMBL
332368,CCCCC1CC2CC1(C)C(C#N)C(C)C2C,0,GDB ChEMBL
81142,Cc1cncc2c1C(CCNC(N)=O)CC2=O,0,GDB ChEMBL
361031,CCC12[NH2+]CC(C=CCCCCC1N)C2O,0,GDB ChEMBL
12778,CCC1OCCC1(C(=O)[O-])C(C[NH2+]C)OC=O,0,GDB ChEMBL
148953,C[NH2+]C1(C)C(=[NH2+])NCCC(N(C)C(N)=O)C1O,0,GDB ChEMBL
198649,CC#CC(C)C#CCc1cccc(C)c1F,0,GDB ChEMBL
374926,C#CCC(=O)OC(CC)CS(N)(=O)=O,1,GDB ChEMBL
375706,Nc1ncc2c(I)cc(CO)cc2c1C=O,1,GDB ChEMBL
252627,C#CC1CC2C[NH2+]C1C(=O)CC2C(C)CC,0,GDB ChEMBL
328919,C[NH2+]C1CC12C(O)C(C)CCN2C,0,GDB ChEMBL
170094,CC#CC12CC=CC1C1CCC[NH+]1C2,0,GDB ChEMBL
44072,C[NH+]=C1NC(C)=[NH+]CC(C(N)=O)N1,0,GDB ChEMBL
305213,CC[NH2+]CC(OC)C1(C(C)C)CC=CC1C,0,GDB ChEMBL
368515,COc1ncc(I)c(C([NH3+])CCC(=O)[O-])c1N,1,GDB ChEMBL
173739,COC(=O)C1COCCN1,1,GDB ChEMBL
216554,CCC1CCC2C(C)CC(OC)C2(C)CC1C,0,GDB ChEMBL
366067,CCc1cc(F)ccc1C(C)(C)CC,1,GDB ChEMBL
347023,CC1C[NH2+]CCC2OC(C)C1C2C,0,GDB ChEMBL
398778,C#CC(COC)C(N)C(O)(C#N)CC(C)CC,0,GDB ChEMBL
174826,CCCCC1OC2CC2OC(C)C1C,1,GDB ChEMBL
50134,CC1[NH2+]CC(O)CC2OC(=O)C1O2,0,GDB ChEMBL
34828,COC1C(C#N)C(O)C(O)C1C(=O)NC(N)=O,0,GDB ChEMBL
299729,NC(=O)C1CCNS(=O)(=O)C2C(O)C12N,0,GDB ChEMBL
265248,CCCCCC1(O)C2COC1(C(C)O)OC2=O,0,GDB ChEMBL
259437,CC[NH2+]CC(C)CCCC(C)C,0,GDB ChEMBL
4999,O=C([O-])CC12C(=O)CNC(=O)C1OC2=O,0,GDB ChEMBL
95568,C#CC(C)(C#C)C(C1CCCC1)C(C)(C)O,0,GDB ChEMBL
349926,CCC1C2CC(C)C1(CO)[NH2+]CC(C)[NH2+]2,0,GDB ChEMBL
303369,N#CCNC1CC2=CC(=O)NC2C1,0,GDB ChEMBL
278863,C[NH2+]CC1(O)C(C)C1(C(=O)[O-])S(N)(=O)=O,0,GDB ChEMBL
56669,CC(C)C1(C)CNC(=O)C=CCC1(C)C,0,GDB ChEMBL
22042,CCC(OC)C1COCC(C)C(C)CC1C,0,GDB ChEMBL
136434,O=C1CS(=O)(=O)NCC(C2CC(CO)C2)O1,1,GDB ChEMBL
294800,C#CC1(CNCC(F)(F)F)C=CCCC1=O,0,GDB ChEMBL
51062,C=C(CC(O)(C[NH3+])CO)C(O)CC,0,GDB ChEMBL
210136,CCc1ccc(CC)c2c1CC=CC2,1,GDB ChEMBL
223295,Cc1ncoc1CC1CC1,1,GDB ChEMBL
34211,CCC1C([NH3+])CC2(CO)OC12,0,GDB ChEMBL
92905,CC1([NH3+])C(C(=O)[O-])CC2NC(=O)OC21,0,GDB ChEMBL
188065,O=C([O-])C1OCCC2NS(=O)(=O)OC21,0,GDB ChEMBL
41584,CNC(=O)c1[nH]ccc1S(N)(=O)=O,1,GDB ChEMBL
277576,COCC(C)(N=C(N)NC(C)=O)C(C)=O,0,GDB ChEMBL
165628,CNC(=[NH2+])c1cncnc1,0,GDB ChEMBL
227245,CCC1CCc2c1ncc(Cl)c2C(O)CO,0,GDB ChEMBL
162904,CC(C)C1(C)CC2OC(=O)CC2(C)C(=O)N1,0,GDB ChEMBL
147997,CC1NC(=O)CC[NH+](C)C1(C)CNC(N)=O,0,GDB ChEMBL
124281,CNC(C(C)[NH3+])C(OCC[NH3+])C(C)O,0,GDB ChEMBL
26051,CCCCCC1C(C)C1CO,1,GDB ChEMBL
277730,CCC1(C[NH3+])C2CCC1C2(C)C,0,GDB ChEMBL
284729,CCC1C(C)C2CCCCC1(C)C2,0,GDB ChEMBL
374375,CC1CC2(C)CCC(C)C(CO)C2C1C,0,GDB ChEMBL
47704,COC1CCC2CC(C)(C[NH3+])OC(CO)C21C,0,GDB ChEMBL
68617,CN1CC(C(=O)[O-])OC(=N)CCCOCC1=O,1,GDB ChEMBL
87070,CC12CCC(O)C1(C)C(=O)NC(=O)N2,0,GDB ChEMBL
258221,CC(=O)NC1=NCC(=O)C1(C#N)NC(N)=[NH2+],0,GDB ChEMBL
66142,C#CCCC(CCO)C(=[NH2+])NC,0,GDB ChEMBL
115880,CCc1ccc(C)c2ncn3cc(O)cc3c12,0,GDB ChEMBL
334739,CCC(=O)OC1(C(N)=O)C(CO)C1(N)C#N,0,GDB ChEMBL
358851,C1=C2C(CC1)CC1CCCCOCC21,0,GDB ChEMBL
141985,CC1CN1CCCC=O,1,GDB ChEMBL
61263,CNC1(C#N)C2C(C[NH3+])OC(=O)C21O,0,GDB ChEMBL
17064,COc1cnc(N)cn(C(N)=[NH2+])cc(C)c1,0,GDB ChEMBL
171333,CC1(C)CC#CC=Cc2cccc(c2)N1,1,GDB ChEMBL
343984,Cc1cc(=O)o[c-]1C([NH3+])C(O)C(=O)[O-],0,GDB ChEMBL
378907,CCCC=CC1CN=COC(=O)N1,1,GDB ChEMBL
332446,C#CC1[NH+]=CNC(C)(CC)CNC(=O)CC1O,0,GDB ChEMBL
392526,N#CC(CO)N1CC(C(=O)[O-])OC1=O,0,GDB ChEMBL
178045,C[NH2+]CC(OC)C(C(C)O)C([NH3+])CN,0,GDB ChEMBL
182124,CC1(CNS(=O)(=O)CC#N)CC1,1,GDB ChEMBL
152489,CC1(C)C[NH+]2CCC(O)C21,0,GDB ChEMBL
104465,C1=CC[NH+]2CCCOC(C1)C2,0,GDB ChEMBL
43975,COC1COC2OC1C(NS(C)(=O)=O)C2O,0,GDB ChEMBL
274600,CC(COC(=O)C(N)C(N)C#N)NC(N)=[NH2+],0,GDB ChEMBL
64681,C[NH2+]CC1(C)NC(=O)C2C(OCCO)C21,0,GDB ChEMBL
219506,CCC12CC(C)C(C)CC1(C)COC2=O,0,GDB ChEMBL
277674,CNC(=O)CCO,1,GDB ChEMBL
156783,C#CC(C#CC)C(O)C(C)CC[NH3+],0,GDB ChEMBL
369343,CC1(C=O)CCNC(=O)COC1,1,GDB ChEMBL
93436,NC(=O)C1(CO)CC2C([NH3+])C2C1O,0,GDB ChEMBL
24732,NS(=O)(=O)CC(O)CCC=O,1,GDB ChEMBL
35988,[NH3+]CC(O)C1NC(=O)C(O)C1[NH3+],0,GDB ChEMBL
138360,CNC(C(=[NH2+])N1CC1CO)C(=O)[O-],0,GDB ChEMBL
285760,NS(=O)(=O)CC[NH2+]CCC(CO)C(=O)[O-],1,GDB ChEMBL
337201,C[NH2+]CCC(OCC(C)O)C1CC(=O)C1,0,GDB ChEMBL
204537,N#CC(C=O)[NH+]=C(N)CCNC(N)=[NH2+],0,GDB ChEMBL
235553,CN1CC2[NH2+]CCC1(CS(N)(=O)=O)C2O,0,GDB ChEMBL
153250,COC(=O)C1C2CCC(C)C21C1=CCCC1,0,GDB ChEMBL
290513,Nc1c(N2CCC2)ncc(OCCO)c1F,1,GDB ChEMBL
137129,C[NH2+]CC(CS(N)(=O)=O)C(N)C(O)C(O)C#N,0,GDB ChEMBL
121482,[NH3+]CC1CC2[NH2+]CC(O)C2N1,0,GDB ChEMBL
334723,O=C(Nc1cc[nH]n1)c1ccno1,1,GDB ChEMBL
107701,CC([NH+]=C(N)C(N)C(=O)[O-])c1nc(C#N)c[nH]1,0,GDB ChEMBL
181523,CCC1C(C)CC2CCC(C1C)C(C)(C)C2,0,GDB ChEMBL
35463,CN1CC2NC3C(=O)OC2C31,0,GDB ChEMBL
222551,C#CCC(C)Cc1cc(I)cc2c1CCC2,1,GDB ChEMBL
198693,NC1CNC(=O)OCC1NC=[NH2+],0,GDB ChEMBL
206990,Cc1cc(C=O)cc2c3cncnc3nn12,1,GDB ChEMBL
60659,C[NH2+]CC(O)Cn1c(C)nc(N)c1O,0,GDB ChEMBL
383330,CNC(=O)C1=CCC(C)([NH3+])C1,0,GDB ChEMBL
34930,Cc1c(Br)cccc1C12CCC(C)C1C2,1,GDB ChEMBL
148806,NC(=[NH2+])N1C(=NCC(N)=O)CC1CO,0,GDB ChEMBL
93768,CC1C2CCC(=O)NC1C2=CC#N,0,GDB ChEMBL
194453,CCC1(CCCCC(C)C(C)(C)C)CC1,1,GDB ChEMBL
148917,O=C([O-])Cc1cc(F)cc2sc([O-])cc(=O)c12,0,GDB ChEMBL
249840,COC1C(NS(C)(=O)=O)C1(O)C(O)C[NH3+],0,GDB ChEMBL
26624,CCC1C=CC(CS(=O)(=O)NCC[NH3+])C1O,0,GDB ChEMBL
299205,C[NH+](C)C1C(CO)C1CC[NH3+],0,GDB ChEMBL
31351,C[NH2+]CC(CO)NCC1COC1=O,0,GDB ChEMBL
34145,CC(O)C(C)C1C(C(=O)[O-])N1C,0,GDB ChEMBL
59242,C#Cc1c(C)sc2c(F)ccc(CC)c12,1,GDB ChEMBL
174217,CCCC1CC2C(OC(C)(C)C)CCC12C,0,GDB ChEMBL
34710,NC(=[NH2+])NC(=[NH2+])CCNC=O,0,GDB ChEMBL
398863,CC(=O)OC1CNC1C(=O)CCO,0,GDB ChEMBL
147976,CC1(CC(N)=O)OCCO1,1,GDB ChEMBL
48753,C#CC1(CCC)CC2CCC(C1)C1CCCC21,0,GDB ChEMBL
347943,O=C1CC2OCC2NCC(CCO)N1,0,GDB ChEMBL
44363,OCC1(C2=CCCC2C(F)(F)F)CC1,0,GDB ChEMBL
204186,CCN1C(=O)C(C(=O)[O-])N=C1N,0,GDB ChEMBL
182253,C#CC1CC2C(CC)CC(CC2(C)C)[NH2+]1,0,GDB ChEMBL
10595,CC1=CC([NH3+])CC(C#N)CCCCCC1,0,GDB ChEMBL
257985,Fc1ccc2c(c1F)C1CC3CN3C2C1,0,GDB ChEMBL
310290,CCNC(=O)C1(C(O)CO)CO1,1,GDB ChEMBL
104469,CCC([NH3+])CC=Cc1cnc(N)s1,0,GDB ChEMBL
225879,CCCCC(C)C1C2C(C)C(C)[NH+](CC)C12,0,GDB ChEMBL
71669,CCCC(C1CCCC1)C1(CC)CCC(C)C1,0,GDB ChEMBL
277720,CCCC(C)C(C)(C)C(=NCCC#N)OCC,0,GDB ChEMBL
354991,N#Cc1c(O)ncc(O)c1NC(C#N)CN,1,GDB ChEMBL
16521,[NH3+]C1CS(=O)(=O)NC2COC(=O)C1C2O,0,GDB ChEMBL
126888,CC1CC=CC2=CC[NH2+]C2COCC1,0,GDB ChEMBL
388387,CCC12CC(C)C[NH+](C(C)CC#N)C(C1)C2,0,GDB ChEMBL
339958,COCC1(CC=C(C)C[NH3+])C[NH2+]C1,0,GDB ChEMBL
259349,CCCn1ncc(C)c1C1CC1,1,GDB ChEMBL
362838,CC1C([NH3+])C1(O)C1CCC[NH2+]1,0,GDB ChEMBL
342598,CC1CC(C)[NH+](C)C(C(N)CC[NH3+])C1[NH3+],0,GDB ChEMBL
342567,CCCc1cc2c([O-])[nH]nc2c(Cl)n1,0,GDB ChEMBL
9689,NC(=[NH2+])NC1CC(O)CC(O)C([NH3+])C1C(=O)[O-],0,GDB ChEMBL
136670,CC1CC2C3CC(CNC1=O)CN32,0,GDB ChEMBL
87507,CCCOC1CCOCC1C,1,GDB ChEMBL
252688,CC(C)C1CC2(CCCC(C)C1C)CC2,0,GDB ChEMBL
334772,N#CCN1CC(O)C(O)C1,1,GDB ChEMBL
135847,CC1=CN(C(=N)N)C(=O)C1NC(N)=[NH2+],0,GDB ChEMBL
304362,Cc1ccc2c(c1)C1OC13C(C)CCOC23,0,GDB ChEMBL
286108,Cc1ccc(F)c(F)c1C=CC#N,1,GDB ChEMBL
115955,C=CC1C(=C)CC([NH2+]CC)CC1=NO,0,GDB ChEMBL
156122,CCC(C)(C)c1cc(C)c(F)c(F)c1,1,GDB ChEMBL
306010,CCC(O)CC1(C)OC2(COC)CC1NC2=O,0,GDB ChEMBL
363763,C#Cc1cc(Oc2ccc(Cl)cn2)c[nH]1,1,GDB ChEMBL
175722,Cc1cc(CC(C)(C)C)cc(Br)c1Br,1,GDB ChEMBL
302624,C#CC1(CC(C)CC)CC(C)CCCC(C)C1,0,GDB ChEMBL
251835,CC(CO)C1CC2=CCCCCC2C1,1,GDB ChEMBL
222809,CCOCCOC1CCC(=NO)CC1(C)O,0,GDB ChEMBL
119784,CC1=NCCC(=O)NC(C)C[NH2+]C(C)CO1,0,GDB ChEMBL
70149,OCCC[NH+]1CCCC2(CC2)C1,1,GDB ChEMBL
84490,C[NH2+]C(CN)C(C)(O)C(O)C(N)=O,0,GDB ChEMBL
215481,N#CCC(C=O)C1=NCCO1,1,GDB ChEMBL
263310,C[NH2+]CC12CC(C(=O)[O-])=CN1C2C(N)=O,0,GDB ChEMBL
310787,OC1C(C2CCC[NH2+]C2)CC2OCC21,0,GDB ChEMBL
6866,C#CC(C)C[NH+](C)CC(CCC)C(C)=NO,0,GDB ChEMBL
285135,C[NH2+]C1CC2(C)CC1CCC2C,0,GDB ChEMBL
298969,CC1C2CCCC1(O)C([NH3+])CO2,0,GDB ChEMBL
191524,[NH3+]CC1C(CC(=O)[O-])NC2C([NH3+])C12,0,GDB ChEMBL
321784,C#CCC(O)CC([NH3+])COC(=O)NC,0,GDB ChEMBL
273788,C#CCCC(O)CC(C)CC1C[NH+](C)C1,0,GDB ChEMBL
184906,CCC1CC=C2CC3=CCCCC3(C)C2C1,0,GDB ChEMBL
259705,CC(CO)C1CC(CC(=O)C(F)(F)F)C1,1,GDB ChEMBL
318405,CCNC(=O)Nc1cnc(=NC)[nH]n1,1,GDB ChEMBL
273802,C#Cc1c(C2CC2)ncc(C#CCC)c1C,1,GDB ChEMBL
31279,CCCC(C)CC1C(=O)C=C(C)C1C=O,1,GDB ChEMBL
15582,C#CC1=CCC23CC2N(C)C(=O)C3[NH2+]CC1,0,GDB ChEMBL
141713,CCC(CC1(COC)CCCCCCC1)OC,1,GDB ChEMBL
274942,Cc1ccc2c(c1F)C1(C)NCC(=O)CC1C2,0,GDB ChEMBL
122001,C[NH2+]C1C(=O)NCC2CS(=O)(=O)NC1CN2,0,GDB ChEMBL
285557,CS(=O)(=O)N1CC(C2=NCCO2)C1,1,GDB ChEMBL
318761,N#CCN1CCCCC(CO)C1=O,1,GDB ChEMBL
119905,CC(C)C1=CCC(=O)C1C1CC1,1,GDB ChEMBL
119848,CC1(O)C(O)C([NH3+])CCC[NH2+]CC1(N)CO,0,GDB ChEMBL
161762,CC(NC(N)=[NH2+])c1cnc(=O)nnc1[O-],0,GDB ChEMBL
18654,[NH3+]C(C(=O)[O-])C(O)C1(O)COCC1[NH3+],0,GDB ChEMBL
363229,CC1C2CC(CO)C3NC(=O)CC123,0,GDB ChEMBL
38907,C[NH2+]C(CNC(C#N)C(=O)[O-])C(C)O,0,GDB ChEMBL
41304,CCCC1(C)CC(C)(O)CC1C(C)C[NH+](C)C,0,GDB ChEMBL
21528,CCC[NH2+]CCCC1OC1C(C)CC,0,GDB ChEMBL
130880,C#CCc1cc(CC)c(C)cc1I,1,GDB ChEMBL
157056,CCOC1C(C(=O)[O-])C2C3C(NS2(=O)=O)C13,0,GDB ChEMBL
81583,COC1C(NC=O)C1(C#N)C(=O)[O-],0,GDB ChEMBL
290510,C[NH2+]C1CC2(C)C(CO)C1C1(C)OC21,0,GDB ChEMBL
349456,C#CC1CCc2c(Br)cccc2C(C)C1C#C,0,GDB ChEMBL
340564,C=C(C)C(C(=C)C)C1CC(OC)C1,1,GDB ChEMBL
259434,O=C1C[NH2+]CC=CCCN1,1,GDB ChEMBL
295875,C=CC(C)(C)C(C)=CCCCC[NH3+],0,GDB ChEMBL
340544,C#CCCCCC1(C)CC[NH2+]1,0,GDB ChEMBL
355298,NC(=[NH2+])Nc1csc(C(=O)[O-])c1C[NH3+],0,GDB ChEMBL
136657,CCN(C=O)C1CC1(N)C(=O)NC,0,GDB ChEMBL
31813,CC1CC(C)N(C)C(C)C[NH+](C)C(C)C1,0,GDB ChEMBL
355348,CNc1c(C)nc(=O)c([O-])c2[nH+]cc(N)cc12,0,GDB ChEMBL
354756,CCc1cc2ncc(Cl)cc2oc1=N,0,GDB ChEMBL
379368,CCC1C(C)CC2CCC=CCC21,0,GDB ChEMBL
300924,CC12OC(=O)C1C2NC(N)=[NH2+],0,GDB ChEMBL
299740,CCCCC1Cc2ccc(I)c(C)c2C1,1,GDB ChEMBL
20736,CN(C)C(=O)Nc1cc(O)cn1C,1,GDB ChEMBL
337932,O=C1CNS(=O)(=O)C2OCC2C(CO)N1,0,GDB ChEMBL
47979,CS(=O)(=O)NC1(CO)C2NC(=[NH2+])OC21,0,GDB ChEMBL
305800,NC(C[NH3+])C([NH3+])CC(OS(N)(=O)=O)C1CC1,0,GDB ChEMBL
208555,N#CC1C2OC2CN1S(=O)(=O)CC(N)=O,1,GDB ChEMBL
323201,NC(=O)C1C(CO)NC(=O)C2OC21,0,GDB ChEMBL
216200,COC1CC(C)OC2(CCCC2)C1,1,GDB ChEMBL
314973,CC([NH3+])C1CC(CC[NH3+])C2(C)OC12,0,GDB ChEMBL
263812,NC(=O)C1(O)COCOC1C(=O)[O-],0,GDB ChEMBL
45933,C#CC1C(C[NH3+])NC(=O)C1(C[NH3+])C(CC)CC,0,GDB ChEMBL
250627,CCN1CC(=O)NCC2CC21CS(N)(=O)=O,0,GDB ChEMBL
61835,CC1CCC2(CCC[NH2+]C(C)C2C(N)=O)[NH2+]1,0,GDB ChEMBL
113576,CC(=O)NC1C(C#N)C(N)(C[NH3+])C1(C)C,0,GDB ChEMBL
369341,CCCC(C)C1CC(C)CCC([NH3+])C1C,0,GDB ChEMBL
379362,CC12CCCC1(c1cccc(Br)c1)CCC2,0,GDB ChEMBL
353997,CC1NC2(COC2)C2CC1OC2=O,0,GDB ChEMBL
105983,[NH3+]CC1C2NCC([NH3+])C(OC2=O)C1O,0,GDB ChEMBL
36196,CCn1cccc1C1CN1C=O,0,GDB ChEMBL
126588,N=c1ccnc2cc(F)c(NCC(=O)[O-])nn12,0,GDB ChEMBL
351424,CCCCCC1CC(C)(C)C[NH+]2CCC1CC2,0,GDB ChEMBL
260151,CCC1C(=O)C(=N)OC(=O)NC1C(C)O,0,GDB ChEMBL
151780,NC(=O)C1CC(=O)C2(O)C(O)COC2CN1,0,GDB ChEMBL
204813,Cc1coccc(O)nc(C)c1CCCC#N,0,GDB ChEMBL
140154,CCCCOc1ccn[nH]c1=N,1,GDB ChEMBL
47662,COCC(O)CCNC(=O)OCC1(C)CN1,1,GDB ChEMBL
79629,NC(=O)C1CC(O)C(=NCCS(N)(=O)=O)N1,0,GDB ChEMBL
173164,CCCC1C(C)C2CCCCCCC12,0,GDB ChEMBL
251022,CC1OC2(CCC2)C([NH+](C)C)C(C)C1C,0,GDB ChEMBL
274093,O=C([O-])CNc1ncc(=O)[nH]n1,1,GDB ChEMBL
25222,NC1(C2CCNC(=O)OC2)CC1[NH3+],0,GDB ChEMBL
152080,CCC1CC(C[NH3+])(C(N)=O)C(C(=O)[O-])C1OC,0,GDB ChEMBL
98880,COC(=O)C1=CCOC1C(N)=O,1,GDB ChEMBL
290553,CN(C)C(=O)Cc1coc(C#N)n1,1,GDB ChEMBL
113623,CN=C1NC(=[NH2+])NC(C)C(C[NH3+])(C(=O)[O-])O1,0,GDB ChEMBL
309639,Cc1cnc2c(c1C(C)[NH3+])COCC([NH3+])CO2,0,GDB ChEMBL
167304,NS(=O)(=O)CC1C(O)C2CC([NH3+])C1C(=O)N2,0,GDB ChEMBL
258009,NC(=[NH2+])Nc1c(CO)nsc1C(N)=O,0,GDB ChEMBL
61494,CC(C)n1ccc(N)c1NC(=O)CO,1,GDB ChEMBL
227538,CCC1C(=O)C2(C)CCCC1C2O,1,GDB ChEMBL
125653,O=C([O-])C1CN2CC2C2CC12,0,GDB ChEMBL
362871,CC(O)CCCCCC[NH3+],0,GDB ChEMBL
272553,C#CCC1C(C)CC2CC(O)C(C)C21,0,GDB ChEMBL
328861,C#CC(C)[NH2+]C1(C)CC(CC)C2(CO2)C1,0,GDB ChEMBL
227731,COC1CN(CC(OC)C(=O)NC(N)=O)C1,1,GDB ChEMBL
204850,C#CCCC(COC)C[NH+]1C(C)(C)C1(C)C,0,GDB ChEMBL
184109,Nc1nnc2nc1OCCCOC(=O)C2,0,GDB ChEMBL
26041,CC1CC(C[NH2+]C(C)(C)C)C(N)C(=O)N1,0,GDB ChEMBL
307537,CCC[NH+]1CC=CC(C(O)CC)C1,0,GDB ChEMBL
283998,C[NH2+]CC1CC2([NH3+])C=C(C)C(CO)C1C2,0,GDB ChEMBL
367820,CC([NH3+])(CNC(=O)C[NH3+])CC1(O)C([NH3+])C1O,0,GDB ChEMBL
204348,O=C([O-])C1CC2C[NH+](C2)C2CC12,0,GDB ChEMBL
217397,CCN(C)c1cc(I)c(C2CC2)c(O)n1,1,GDB ChEMBL
66637,C#CC(C)(C)C1COC(CC)(C[NH+](C)C)C1,0,GDB ChEMBL
219526,NC(=[NH2+])NC12CCOC(CC(O)C1N)C2,0,GDB ChEMBL
132266,CCCS(=O)(=O)c1onc(C(N)=O)c1C#N,1,GDB ChEMBL
221126,COC12C(C=O)[NH2+]C(C1C(N)=O)C2C(=O)[O-],0,GDB ChEMBL
147271,CC1OC(=O)CC2OC1C(=O)C(C)C2O,0,GDB ChEMBL
26627,C[NH+]=C1NCCC1(CO)C(O)C[NH+](C)C,0,GDB ChEMBL
334782,CCCCC1C=CC(C)C(C)C1C(F)(F)F,0,GDB ChEMBL
31992,CC(C(=O)[O-])C1C(O)C2NC(N)=NC21C#N,0,GDB ChEMBL
193762,CC(=[NH2+])NC1(C(O)C(N)=O)CC1C[NH3+],0,GDB ChEMBL
370295,COCC1CC(C(N)=[NH2+])c2cc(C)cc(Cl)c21,0,GDB ChEMBL
195271,C[NH2+]C1CC(C(=O)N(C)C=O)=CC(O)C1,0,GDB ChEMBL
344288,Cc1cc2n(c1C)CCC1CC(C2)CC1C,0,GDB ChEMBL
73299,CC1=CC2CC(C1)[NH2+]C1CCCC2CC1C,0,GDB ChEMBL
393565,COC(=O)CNCCCC1CO1,1,GDB ChEMBL
215412,C[NH2+]Cc1nc(N)c(C(N)=[NH2+])c(=NCC#N)[n-]1,0,GDB ChEMBL
362863,CC1CN2CC(=O)CC1C2C#N,0,GDB ChEMBL
69573,CC12COCC(O)C[NH+]1CC1C([NH3+])C12,0,GDB ChEMBL
204541,C#CC1C2CCCC12Cc1cccc(Br)c1,1,GDB ChEMBL
287041,C#CCC1C(C)C(CC)OC(CCO)C1(C)C,0,GDB ChEMBL
165978,OCC1[NH2+]C2CC(O)C(C2)C1O,0,GDB ChEMBL
126878,Cc1nc(N2CC(CO)(CC#N)C2)c[nH]1,1,GDB ChEMBL
260575,C#CCCC1C(C)CN1CCC#N,0,GDB ChEMBL
286170,C#Cc1cc(F)c(S(=O)(=O)[O-])cc1C#CC,0,GDB ChEMBL
16474,CC1CC(O)C2C=CCCCC12,0,GDB ChEMBL
258738,CC1=CCC2CC[NH+](CCC(C)C2)C1,0,GDB ChEMBL
127488,C#CCC1CC(C)=CCCC1C1CC1,0,GDB ChEMBL
227297,CC1CC2CC(=O)NC(C2)C(=[NH2+])NCC1C[NH3+],0,GDB ChEMBL
28296,CCC1C(C)C(Cc2ccccc2)[NH2+]C1(C)C,0,GDB ChEMBL
353928,CCC1(c2c(C)ccc(O)c2F)NC1C,0,GDB ChEMBL
290575,N#CCC(O)C(O)(CCO)C(O)C(=O)[O-],0,GDB ChEMBL
215703,C#CCc1c(F)ccc(C)c1CC(C)[NH2+]CC,0,GDB ChEMBL
258705,CCC(C#N)(COC)n1c(C)nc(NC)c1C,0,GDB ChEMBL
340425,CCCC(=O)C(C)(CC)C1COCC1(C)O,0,GDB ChEMBL
119413,CC1CC([NH3+])(C2CNC(=O)O2)CCC[NH2+]1,0,GDB ChEMBL
31399,COc1c(I)ccc2c1C1(CC1)CC2C,1,GDB ChEMBL
31991,[NH3+]CC1CC2NC(=O)OC1OC2=O,0,GDB ChEMBL
382094,CCC1[NH2+]CC(C)([NH3+])CC=C1CCC(N)=O,0,GDB ChEMBL
226264,CC1NC(=O)CC1(CO)S(C)(=O)=O,0,GDB ChEMBL
328899,CN1CC2([NH+]=C(N)N)CC2CC1C[NH3+],0,GDB ChEMBL
110209,NC(=O)C1[NH2+]CC2CC(C[NH3+])C21,0,GDB ChEMBL
358464,CNC(=O)C(=O)c1onc([O-])c1CO,0,GDB ChEMBL
40370,Cc1csc(CC2C[NH2+]CC2C=O)c1,0,GDB ChEMBL
125682,C#CCOCC1(C#N)[N-]C(=O)NCC([NH3+])C1O,0,GDB ChEMBL
148764,CC1=CC([NH3+])C2(C[NH2+]CC(CO)C2)C1,0,GDB ChEMBL
143838,C#CCOC1(C[NH2+]CC)CC(CC)C([NH3+])C1C,0,GDB ChEMBL
259097,CC[NH+](C)CC1C=C(CC#N)C(C)(C)CC1,0,GDB ChEMBL
116073,C=C1CCCC2(CCC2)C1CCC,1,GDB ChEMBL
73859,CC1C2OC(=O)C3CN(C2CO)C31,0,GDB ChEMBL
147412,CC(O)C1OC(=N)CC1C(=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
352700,OCCN=C1CCOCCO1,1,GDB ChEMBL
387187,CCc1cc(C=O)c(F)c(C)c1[O-],0,GDB ChEMBL
129802,CC1(C[NH3+])COCC(O)C(C#N)N1S(C)(=O)=O,0,GDB ChEMBL
271006,COCCC1(C(N)=[NH2+])CN=C(N)OC1,0,GDB ChEMBL
338611,CCC1CCC2OC2C1CO,1,GDB ChEMBL
362352,CC(CC[NH3+])C1CC(O)C1(O)CS(N)(=O)=O,0,GDB ChEMBL
95577,CC(C)C12CC([NH+](C)C1CN)C(C)(O)C2,0,GDB ChEMBL
366788,CC#CC(C)(C)C1[NH2+]CC2CCC1(C)CC2,0,GDB ChEMBL
141706,CC(C)(C=CC(=O)CC=O)C(=O)[O-],0,GDB ChEMBL
334744,NC(=O)NC1=NC(CO)CCO1,1,GDB ChEMBL
279993,COc1cc2n(n1)CC1CC(C[NH2+]C1C)C2,0,GDB ChEMBL
347868,NC(=[NH2+])C1CCOC1CNc1nc(C=O)cs1,0,GDB ChEMBL
337834,CCC(C)(C)OCC([NH2+]C)C(C)O,0,GDB ChEMBL
140108,C#Cc1cc(CC2CC[NH+]=CN2)c(F)cc1N,0,GDB ChEMBL
142959,CCC(CC1CCC1)C1CC1,1,GDB ChEMBL
322889,[NH3+]C1C(Cn2ncnn2)C1NCCO,0,GDB ChEMBL
295894,[NH3+]CCN1C2CC=CCCC21,0,GDB ChEMBL
26443,COCCC(C)C1([NH3+])CC1(C)CC(N)=O,0,GDB ChEMBL
277978,CCOc1nc(O)ccc1CO,1,GDB ChEMBL
47192,CC(C)C1(O)CCC(CNC(N)=[NH2+])C1,0,GDB ChEMBL
128307,N#Cc1c(C(=O)[O-])oc(=O)c([N+](=O)[O-])c1C[NH3+],0,GDB ChEMBL
283285,CC12CCCC[NH2+]CC(O)C(C=O)(CO1)CO2,0,GDB ChEMBL
335469,CCC[NH+]1Cc2occc2CNC(C(C)C)C1,0,GDB ChEMBL
3801,CCC1=Cc2cc(F)c(C)cc2C2CC12,1,GDB ChEMBL
305265,[NH3+]CC1NS(=O)(=O)C1CCC(=O)[O-],0,GDB ChEMBL
236576,COC1(C)OC(CO)C2NC(=O)C1C2O,0,GDB ChEMBL
302451,CCCC[NH+]1CC(C)(n2c(N)c[nH+]c2N)C1,0,GDB ChEMBL
114765,N#CC(O)C(C=O)(CO)NCC(=O)[O-],1,GDB ChEMBL
21514,CCCCCCC(=O)OC1CC(C)C1,1,GDB ChEMBL
253624,N#CC1NC(=N)OCC([NH3+])C(O)C1O,0,GDB ChEMBL
141978,C[NH2+]C12CCN3C(=O)CCC31C(C)CCOC2,0,GDB ChEMBL
383674,CC[NH+](C)Cc1c(N)c(C[NH3+])noc1=O,0,GDB ChEMBL
354135,C#CC(O)C([NH3+])C(C)OC,1,GDB ChEMBL
112513,CC#CC(C#N)C(N)c1ccc(C)cc1,1,GDB ChEMBL
249457,CC1CCC2N=C(N)OC2C1O,1,GDB ChEMBL
120897,N#CC1CC(=O)[N-]C(=O)C(=O)C(=NCCO)O1,0,GDB ChEMBL
215395,Cc1ccc(C#CCN2CC2)c(C)c1,1,GDB ChEMBL
252673,C#CCc1cc(N)c(C2(C)CC2)c(F)c1,1,GDB ChEMBL
120364,C=C1C(=O)OC(C)CC([NH3+])C1NC,0,GDB ChEMBL
204679,CCC12CC(CO)CC[NH2+]CC(C1)OCC2=O,0,GDB ChEMBL
147267,[NH3+]CC1C2OC3CC2NC(=O)C31O,0,GDB ChEMBL
78600,CCCC(C)(C[NH3+])C[NH2+]CCCOC(C)CC,0,GDB ChEMBL
181522,COC(CCO)CNC(=O)S(N)(=O)=O,0,GDB ChEMBL
46046,CC(C)C(C)(C)C(=O)C1=CCCC1,1,GDB ChEMBL
152527,O=C1NCCCCC(=O)N2C=NCC(C2)N1,1,GDB ChEMBL
242996,CN1CC(OCC(C#N)C(C)(O)C[NH3+])C1,0,GDB ChEMBL
61548,CCOCC1(C)CCC(C)C1,1,GDB ChEMBL
27967,CC12CC=CC[NH+](CC1C1CC1)C2,0,GDB ChEMBL
130613,CN1C(=O)C2(C(N)=[NH2+])CC(O)C3(C)C1C23,0,GDB ChEMBL
301145,COCC([NH3+])C(C)(CCC(N)=O)C(N)=O,0,GDB ChEMBL
127219,CC(CCNCC(F)(F)F)C(=O)CC=O,1,GDB ChEMBL
3759,CN1CC2NC(=O)C(O)C3C2C3S1(=O)=O,0,GDB ChEMBL
157747,CC[NH2+]CC1C=C2CCCC3C2C13,0,GDB ChEMBL
208569,CCC(CCC1(C)CC1)CC1CC1,1,GDB ChEMBL
157449,CN1CC(C(N)=O)[NH2+]CCc2[nH]ncc21,0,GDB ChEMBL
285119,N#CC12CC(N1)C([NH2+]CCO)C2C(=O)[O-],0,GDB ChEMBL
310266,NC(=O)C(N)C12OC(=O)C(C1O)C2O,0,GDB ChEMBL
363120,CCC(C)CC1(C)C2C=CCC1C(C)C2,0,GDB ChEMBL
335490,CCC(=O)NC1=CCC(OC)C(C)C2CC12,0,GDB ChEMBL
121741,[NH3+]CC1CC(OC=O)CN1C(=O)CO,0,GDB ChEMBL
156029,CNC(=O)CC12OCC1C(C#N)NC2C,0,GDB ChEMBL
203189,CCC([NH3+])C1CNC(=[NH2+])CN1C=O,0,GDB ChEMBL
338977,CCCC1(CO)CCC(C)(CC[NH3+])C1CCO,0,GDB ChEMBL
318779,CN1CC(=O)OC2OC(=O)NCC21,1,GDB ChEMBL
234424,CCC[NH2+]C1CC2C1CC1CCCC(C)C12,0,GDB ChEMBL
337159,CCC[NH+]=C(NCCC(C)=NO)NC1CC1,0,GDB ChEMBL
25997,CS(=O)(=O)NC1CCC(N)(C#N)CC1,1,GDB ChEMBL
240511,CC(C)c1cncc(C2C([NH3+])C2(C)C)c1,0,GDB ChEMBL
337943,C#CCCC1=[NH+]CC(O)CC2CC(O)CCN12,0,GDB ChEMBL
41182,CCCC1[NH2+]CC=CCC2CN(C)C21,0,GDB ChEMBL
377986,C#CC(C)(O)CCN(C)c1ccc(Cl)cc1N,1,GDB ChEMBL
122869,CCCC1(O)CCC1C(C)[NH3+],0,GDB ChEMBL
382177,C[NH2+]C1CC2(N)C[NH2+]C(C)COC1C2,0,GDB ChEMBL
172329,C#CC([NH3+])CCOC1(C)CC1,1,GDB ChEMBL
120375,NC(=[NH2+])NC(=[NH2+])C1CCCN(C=O)C1C(N)=O,0,GDB ChEMBL
70312,N#CC1[N-]C(=O)CC2NC2C1O,0,GDB ChEMBL
22051,CC(O)C1C(C)C2CCCC1(O)CC2,1,GDB ChEMBL
334477,NC(=[NH2+])C(O)C[NH2+]C1CC1,0,GDB ChEMBL
133207,CC#CC1(C)CCOC(CC[NH3+])C1OC,0,GDB ChEMBL
209468,CCOc1nc(Br)c(Br)cc1CN1CCC1,1,GDB ChEMBL
288670,C[NH+](C)C(C)(C)CC(CO)C(O)C#N,0,GDB ChEMBL
389358,CC1(C[NH3+])CCOc2cc3cc(F)ccc3n21,0,GDB ChEMBL
362592,COC1(CC(C)C)CC[NH2+]C1,0,GDB ChEMBL
338276,CCOCC1([NH3+])CC(OC)C(C)(C)C1CC,0,GDB ChEMBL
317606,COC(=O)Cc1oncc1[N+](=O)[O-],1,GDB ChEMBL
355346,C=CC(CC)CCOCC1CC1C,1,GDB ChEMBL
363205,C#CCN(C)CCC(F)(F)F,1,GDB ChEMBL
147384,C[NH+](C)CC(O)CC(=O)NC(=O)CN,1,GDB ChEMBL
35478,C#CCC(CC)Cc1ccc2c(c1)CCC2C,1,GDB ChEMBL
333625,Nc1ncncc1C1CN1,0,GDB ChEMBL
336591,CCOC1CC2NC(=O)N3C2C3C1[NH3+],0,GDB ChEMBL
310274,N=COc1nccc(CO)c1N,1,GDB ChEMBL
330153,COC(=O)c1cc(I)n(C2COC2)c(=O)n1,1,GDB ChEMBL
61891,CNC(=O)C1(C)C(O)C2C(C)[NH2+]CC21,0,GDB ChEMBL
235886,N#CC1(N)C2CC(NC(N)=[NH2+])CC1O2,0,GDB ChEMBL
146955,Cc1ccc(F)nc1-c1cc(F)ccn1,1,GDB ChEMBL
249525,O=C1NC(=O)C(C(=O)[O-])OC2CC[NH2+]C2CO1,0,GDB ChEMBL
53301,CN(C(=O)C(C=O)(C=O)NCC=O)C1CC1,1,GDB ChEMBL
214412,CC(C)CN1C2CCCC(C[NH3+])C21,0,GDB ChEMBL
93426,CC(NC(=O)NCC#N)c1nc(N)cs1,1,GDB ChEMBL
171881,CCC12CC(=O)N(C)C1C2,0,GDB ChEMBL
203149,NC1C(=O)NCC2CC1([NH3+])C2,0,GDB ChEMBL
200599,[NH3+]CCNCC1CC[NH2+]1,0,GDB ChEMBL
6019,N=C1CNC(=[NH2+])N1c1ccc(Cl)cc1,0,GDB ChEMBL
397917,C[NH2+]Cc1c(CC[NH3+])[nH]c(NC(=O)OC)c1C,0,GDB ChEMBL
209470,C#CC1(C#C)C(CC(C)C)C1OCCC,0,GDB ChEMBL
363796,[NH3+]C1CCN2CC1N1CC1C(O)C=CC2=O,0,GDB ChEMBL
244555,CCC1CCC2CCCC2CC(C)(C)C1,0,GDB ChEMBL
91196,C#CCCNC(=O)C=C(C)COC,1,GDB ChEMBL
267928,C=CCCc1cnc(CC)cc1Br,1,GDB ChEMBL
296307,N#CC1CC2(CO)CCOC(C2)C1C[NH3+],0,GDB ChEMBL
260529,CC([NH3+])CC([NH3+])C(C)(C)CC[NH+](C)C,0,GDB ChEMBL
115042,CC(C)CC(NC=[NH2+])c1ccccc(=O)c1O,0,GDB ChEMBL
142507,CC[NH+](C)C1C=CC2CCCC(C2)C2CC21,0,GDB ChEMBL
294479,COCC12COCCCC(C1)C(C[NH3+])C[NH+]2C,0,GDB ChEMBL
233885,C#CC[NH+](C)CCCCCCC,0,GDB ChEMBL
92349,CC1CCCCC(C)(C)CC1CC(C)(C)C,1,GDB ChEMBL
119909,N#CC(N)CC(N)C([NH3+])CC(=O)[O-],1,GDB ChEMBL
291896,COC(C)(C(CO)CC(=O)CO)C(C)(C)C,0,GDB ChEMBL
58455,NS(=O)(=O)OCC1CC2C([NH3+])C2C1C(=O)[O-],0,GDB ChEMBL
6155,CC(O)C(O)CCNC(C#N)CN,1,GDB ChEMBL
42299,CNS(=O)(=O)Cc1nc(C[NH3+])c(C)o1,0,GDB ChEMBL
317315,COCCC(C)(C)C1CC1,1,GDB ChEMBL
300976,CC1(O)CC2C[NH2+]C1CS(=O)(=O)NC2C(N)=O,0,GDB ChEMBL
318748,CNC(=O)OC(C)(C)C[NH3+],0,GDB ChEMBL
337447,CNS(=O)(=O)C1C(O)C1(O)COC,0,GDB ChEMBL
228497,Cc1cc(C=O)cn1CC1CC1,1,GDB ChEMBL
194408,CC1CC(O)C2C(O)C2C2CCC[NH+]12,0,GDB ChEMBL
300432,CCc1ccc2c(c1)CC1CC(O)(C[NH3+])CC21,0,GDB ChEMBL
374159,CCCC1[NH2+]C2COCC1C2CO,0,GDB ChEMBL
16030,CC([NH3+])C1COCCC[NH2+]1,0,GDB ChEMBL
205907,CCC(=O)N1CCC(OC)=NCC1C(O)C=O,1,GDB ChEMBL
133990,CCCc1c(CC)nc2ccsc2c1F,1,GDB ChEMBL
99834,COC1OC2C(O)C(=O)NC2C1[NH3+],0,GDB ChEMBL
300457,CC1OC(=O)C2CC(C)(CO)C3CC3(O)C12,0,GDB ChEMBL
259639,CC1OC2C(C)[NH2+]C3CC32CN(C)C1=O,0,GDB ChEMBL
41034,c1cc2n(c1)Cc1ncc(cn1)OCCN2,1,GDB ChEMBL
238186,C#CCc1cccc(C(C)CCC)c1,1,GDB ChEMBL
8679,CC1CCC(C(C)CC(C)CC(C)(C)C)CC1,1,GDB ChEMBL
259435,C#CCC(C=O)CC(CC#C)C[NH+](C)CC#C,0,GDB ChEMBL
151141,C=C1C[NH2+]CCC(O)(COCC)C1,0,GDB ChEMBL
38880,CCC1(C)CC=CC2CC[NH+](C)C21,0,GDB ChEMBL
121463,CCC1CCC(N)=[NH+]CC1(C=O)C(F)(F)F,0,GDB ChEMBL
34734,CCCC12CC(O)(C[NH2+]1)C2,1,GDB ChEMBL
151204,Nc1cc(N)cc(CO)c1,1,GDB ChEMBL
284274,CCCC1=CC2C[NH2+]C(C)CC(CC)(C1)C2,0,GDB ChEMBL
210450,CC(C)CC(C)C1CC2C=CC1(C)CO2,0,GDB ChEMBL
280014,NC(=O)OCc1[nH]nc(CCCCO)c1N,1,GDB ChEMBL
333120,CC1=CC(C#N)CC(C(C)(C)C)NCC1=O,1,GDB ChEMBL
225183,C#CC1(C(C)C)Cc2cccc(CC)c2C1C,0,GDB ChEMBL
190823,COC1(c2cc(C)nc(C)n2)CS(=O)(=O)C1,1,GDB ChEMBL
205767,CC(CC1CC1)C1C2CCC(O)C21C,0,GDB ChEMBL
391728,CCN1C(=O)C2NC34COC2C3C14,0,GDB ChEMBL
276331,CNC(=O)COC(=O)CC[NH3+],1,GDB ChEMBL
287322,CCCc1ncc(F)nc1N,1,GDB ChEMBL
273443,CCC1CCC2Cc3c(ccc(F)c3C)C12C,0,GDB ChEMBL
330954,CC1C(C)C(C)[NH+](C2CCC2)C2CCCC12,0,GDB ChEMBL
130872,CC1=CC(O)C([NH3+])C1C[NH3+],0,GDB ChEMBL
352708,CCCC12CCCC1CCC=CC2C,0,GDB ChEMBL
79570,C#CC1(NCCC)C[NH2+]CC1CCOC(C)C,0,GDB ChEMBL
143143,CCC1CCC2CC1CC1C=CC[NH+](C1)C2,0,GDB ChEMBL
241144,N#CC1CC(CO)C2CC2N1,0,GDB ChEMBL
104401,COC(=O)C1C(N)C(C#N)C1C(N)=[NH2+],0,GDB ChEMBL
292258,C#CCCCNC(C=O)C[NH2+]C,1,GDB ChEMBL
60986,Cc1cc(I)c2c(c1)CC[NH2+]C1(CC1)C2,0,GDB ChEMBL
235708,Cc1nc(=N)sc(CCC[NH2+]CC(N)=O)c1Br,0,GDB ChEMBL
210423,CCC(C#N)Cc1c(F)ccc(N)c1C(C)C,1,GDB ChEMBL
323343,CCCn1nc(O)nc1OCC,1,GDB ChEMBL
370299,C1=CCCCCC(CC2CC2)=C1,1,GDB ChEMBL
301521,CCOCC12CC(C)C([NH2+]1)C2O,0,GDB ChEMBL
318086,CCC1CC2(CCC(C)C(CC(C)C)C2)C1,0,GDB ChEMBL
19665,NS(=O)(=O)OC1COCC1NC=O,1,GDB ChEMBL
382494,CNC1=[NH+]CCc2ccsc21,0,GDB ChEMBL
280799,CC1CC1C=Cc1ccc(Cl)cc1,1,GDB ChEMBL
70192,CC1CC2(C3C(N)C3[NH3+])CC1OC2=O,0,GDB ChEMBL
385634,N#CC(=O)CCN(C=O)C(CO)C(N)=O,1,GDB ChEMBL
148539,CC1CC2(C)CCC1C1=CC[NH+](CC1)C2,0,GDB ChEMBL
372665,Cn1cnc2c(C(C=O)=N[O-])cc(O)nc21,0,GDB ChEMBL
297284,c1csc(C2CC23CCC3)n1,1,GDB ChEMBL
210714,CC12CNc3csc(n3)CC(=O)N(C1)C2,1,GDB ChEMBL
66696,COC(=O)C1CCC(C)(c2ccn[nH]2)CC1,0,GDB ChEMBL
275568,NC1=NC(CO)(C(=O)[O-])C(C(O)CO)O1,0,GDB ChEMBL
26329,CN(CCCC=O)C(=O)c1ncon1,1,GDB ChEMBL
93440,CN1C2C([NH3+])CC(=O)NCC2NCS1(=O)=O,0,GDB ChEMBL
369868,CCC1C[NH+](C)CC(CC[NH3+])=C1CO,0,GDB ChEMBL
363163,[NH3+]C1CCC(C[NH2+]CCc2ccc([O-])o2)CC1,0,GDB ChEMBL
262203,N#CC(N)C1NCCC(O)CC1O,1,GDB ChEMBL
330365,CC1(C)COC(=O)NCc2c(C[NH3+])nc(O)n21,0,GDB ChEMBL
129843,CC[NH+]=CNC(C#N)C(C)OC,0,GDB ChEMBL
355838,CCC(C)Cn1cccc1C1[NH2+]CCCC1O,0,GDB ChEMBL
225395,O=CC1CS(=O)(=O)NC2CC=CC(=O)NC12,0,GDB ChEMBL
53880,CC1C(O)CC2(C)OC2C1[NH3+],0,GDB ChEMBL
48704,CCCC1=CC(C(C)C)[NH2+]C1,0,GDB ChEMBL
309642,CCC1CC(C)OC1CCC1(C)C[NH2+]C1,0,GDB ChEMBL
153681,O=C(CO)CC1CNC(=O)N1,1,GDB ChEMBL
22621,C1=C2C[NH+]3CCC(CC3)C23OC3CC1,0,GDB ChEMBL
274234,CNc1nc(C=O)c(C(C)CC[NH2+]C)cc1Cl,0,GDB ChEMBL
175833,CCC[NH+]1CC2OCC(C(N)=O)C21,0,GDB ChEMBL
10627,CC1CC(C[NH3+])CC(N)=[NH+]1,0,GDB ChEMBL
45711,CC(C(C[NH3+])C(N)=O)n1ncnn1,0,GDB ChEMBL
263163,[NH2+]=CNC1CC(=O)NC2C[NH2+]C(C(=O)[O-])C12,0,GDB ChEMBL
281699,CC1CC(NC(N)=[NH2+])C2(O)C(C(N)=O)OC12,0,GDB ChEMBL
391292,N#CCNC(=O)C1OCC1=NO,1,GDB ChEMBL
190059,CCCNc1nc(=O)sc(N)c1C(=O)[O-],0,GDB ChEMBL
394918,NS(=O)(=O)C1OCCC(=O)C1NCCO,0,GDB ChEMBL
280889,CCCC1[NH2+]C(CC)CC1=O,0,GDB ChEMBL
304872,N=C(NC(N)=O)c1cnoc1,1,GDB ChEMBL
345447,CCC1(C)CC2CCCCC(C2)C1,0,GDB ChEMBL
391500,NC(=O)C(O)CC([NH3+])C(O)COC=O,1,GDB ChEMBL
289799,C#CCOC(C#C)CC(C)[NH2+]CC(C)C,0,GDB ChEMBL
37273,C#CC1CCC(C)c2c(F)ccc(C)c21,1,GDB ChEMBL
19416,NC(=[NH2+])N1CCOc2cnccc21,0,GDB ChEMBL
221657,COC(=O)Nc1cc(CC(C)=O)cc(I)n1,1,GDB ChEMBL
284332,[NH2+]=C1CC(CO)C(Cn2nccn2)N1,0,GDB ChEMBL
372739,CCC(C1CCCC1)C1C2CCC1CC(C)C2,0,GDB ChEMBL
71986,CN1C2C(CO)CC([NH3+])(C(=O)[O-])C21,0,GDB ChEMBL
279107,CC12C=CCC1=CC1C(O)CCCC12,0,GDB ChEMBL
324276,Cc1[nH]c(C#N)c(C(C)(C[NH3+])CC[NH3+])c1C,0,GDB ChEMBL
294204,CCC1(C)CC(C[NH3+])C1OC,0,GDB ChEMBL
108694,CC1C[NH2+]CCN(C)CC#CCC(=O)N1,0,GDB ChEMBL
177828,C=C1CC(COC)(C(=O)[O-])NC1=[NH2+],0,GDB ChEMBL
297240,CN1CCC2=C(C=O)CC[NH2+]CC2C1,0,GDB ChEMBL
263846,CCC([NH3+])Cc1c2c(c(C)n(C)c1=O)CCN2,0,GDB ChEMBL
19354,CC1CC2CC[NH2+]C(C2)C(C)C12CCCCC2,0,GDB ChEMBL
155062,CC1CN=C2NCCC2[NH+]2CCCC2C1C,0,GDB ChEMBL
143809,CCC1C=CCCCC(C)(C)C(C)C1C,0,GDB ChEMBL
47708,[NH3+]C1CCC2CCC(O)CC1C2,0,GDB ChEMBL
397075,CC1CC2CCOCC1(C)[NH2+]C2,0,GDB ChEMBL
122944,C#CC(COc1cccc(I)c1)C(C)([NH3+])C#C,0,GDB ChEMBL
381496,Cc1cc(C)c(C(C)O)[nH]1,1,GDB ChEMBL
140256,Cc1ccccc1C1COC1COC(C)C,0,GDB ChEMBL
60947,CCC1C=CC(C)(C)[NH+]1CCCC[NH+](C)C,0,GDB ChEMBL
13846,CCCC1C(C)CCC2CCCC2(C)CC1C,0,GDB ChEMBL
398800,CC#CC(CC)C1CCOCC1,1,GDB ChEMBL
80224,CC1CCC2(C)CC3(CC=CC3)C[NH+]12,0,GDB ChEMBL
156079,COCCNC(C#N)(C#N)CO,1,GDB ChEMBL
147414,COC(=O)N1C(=N)OC(C)OCC1=O,1,GDB ChEMBL
142345,CC(C)C(C)(CO)CC(CC#N)C1(C)CO1,0,GDB ChEMBL
288936,CC(CC#CC[NH3+])CC([NH3+])C(C)(C)O,0,GDB ChEMBL
260578,CC1CCCC2C1CC1CC(C)(C)CC12,0,GDB ChEMBL
309187,C#CCC(CCCCC)C1COCCC1(C)C,0,GDB ChEMBL
148801,CCCC1(O)C(OCC)C1(N)CS(N)(=O)=O,0,GDB ChEMBL
323340,CNC(=O)C[NH2+]CC1=CCC([NH3+])CC(C)C1,0,GDB ChEMBL
267336,CCNC(=[NH2+])OCc1ccc(O)c(O)c1NC,0,GDB ChEMBL
69604,COCC1CC(=O)C2C(=N)OC1C2O,0,GDB ChEMBL
155132,CCC1CC1c1ccc(F)cc1O,1,GDB ChEMBL
260570,CC(C)CC1CC2CN2C1C#N,0,GDB ChEMBL
227274,CC1OC2OC(CNC(=O)C2C(O)C[NH3+])C1O,0,GDB ChEMBL
44355,CC1C=CC(C)C1(C[NH3+])CC#N,0,GDB ChEMBL
249534,CCC(CCO)C(=[NH2+])NC,0,GDB ChEMBL
280776,CCC1CC=CC2CC1CC1CCCCC21,0,GDB ChEMBL
181580,CCC1C(=O)NC(CC#N)CC1(O)C#N,0,GDB ChEMBL
163858,C#CC(O)C(=O)NC(COC)=NC1CC1,1,GDB ChEMBL
361177,COCC1NC(=O)CC2([NH3+])CC2C1O,0,GDB ChEMBL
330552,CC(=O)NC(=O)C(C#N)NC(N)=O,1,GDB ChEMBL
357632,O=CCC1CC1CCOC1CCCC1,1,GDB ChEMBL
71298,C[NH2+]CCN1C2CCOCC1C2,0,GDB ChEMBL
358292,CC=C(C)CC(C)(C)C(C)C(C)=O,1,GDB ChEMBL
282201,COCC(O)C(O)CC(C)C#CC(N)=O,1,GDB ChEMBL
61313,C[NH+]1C2CC(CC2O)[NH2+]CC12CCC2,0,GDB ChEMBL
92872,CCC1CC2CC(c3cccc(F)c3)N=C2O1,0,GDB ChEMBL
219508,CNC(=O)C(OC)C(C#N)(N=C(C)N)C(N)=O,0,GDB ChEMBL
265243,CNC(=O)CCOC(=O)c1oncc1N,0,GDB ChEMBL
176521,CCC(CC)CC(C#N)(C(C)C)C(C)(C)OC,1,GDB ChEMBL
300181,Nc1nn(CC(O)CC(=O)[O-])nc1N,1,GDB ChEMBL
222189,C[NH2+]CCN(C(=N)N)S(C)(=O)=O,0,GDB ChEMBL
368446,CCC(C1CC1)C1C2C=CC1C1CCC2C1,0,GDB ChEMBL
99622,CCC1CC(C(C)(C)CC)C(C)(C[NH3+])C1,0,GDB ChEMBL
208251,CCC12CC(CCc3cccc(I)c31)[NH2+]C2C,0,GDB ChEMBL
271026,CC#CC1CC1c1c(Br)ccc(OC)c1Br,0,GDB ChEMBL
215392,Cc1c(I)cccc1CC1C(=O)CCCC1C,1,GDB ChEMBL
99685,NCC1[NH2+]C2CCC(O)C2C1O,0,GDB ChEMBL
348469,CCC(C(C)OC)C1C2CCC1CC2,0,GDB ChEMBL
263171,CCCS(=O)(=O)[N-]C(=O)C(C)=NO,0,GDB ChEMBL
142367,CCOCC1(CC)C2NC2CC[NH+](C)C1C,0,GDB ChEMBL
235166,O=c1sc(N2CCC2)nc2c(Br)cccc12,1,GDB ChEMBL
149324,O=C([O-])C1C(O)CC2OC2C1CO,0,GDB ChEMBL
259576,CCCC1[NH+](C)C12CCCC2C,0,GDB ChEMBL
50097,CC#Cc1c(I)c(C)cc(N)c1CC#N,1,GDB ChEMBL
230521,CC1C[NH2+]C(C)CC(C)C(C)C1,0,GDB ChEMBL
203288,CC1CC2CN3CC2C([NH+](C)C)C13,0,GDB ChEMBL
237978,C#CC(=C)NC(=O)C(C)CCCO,1,GDB ChEMBL
190822,CC1C(=O)OC2CCC2N1CC[NH3+],1,GDB ChEMBL
250547,CC1NC(=O)OCC(C#N)C(C)(N)C(O)C1[NH3+],0,GDB ChEMBL
84948,C[NH2+]C1C2CC(=O)NC(C2C#N)C1NC(N)=[NH2+],0,GDB ChEMBL
34906,COC(=O)C(N)C1C(N)C1[NH+]=C(N)N,0,GDB ChEMBL
292300,CNC(=O)C1C2[NH2+]CCC(C(N)=[NH2+])C21N,0,GDB ChEMBL
352815,CC1CCC([NH3+])CC1(O)C1CO1,0,GDB ChEMBL
300942,CC12CC1N(CCO)C=CC2=O,1,GDB ChEMBL
366560,C[NH2+]C1CC2(CCCO2)CC1=O,0,GDB ChEMBL
338134,CC1(C)CCC(=O)OC(Oc2cccnc2)C1,1,GDB ChEMBL
140150,COC(CO)C(O)C(=[NH2+])NC1CC1[NH3+],0,GDB ChEMBL
151135,C#CCCC1(CC(CC)CC)CC1,1,GDB ChEMBL
386149,C#Cc1ccc(N(C)C(C)=[NH2+])cc1F,0,GDB ChEMBL
247546,CCC1CCC(C)(C)C=C(C)C1,1,GDB ChEMBL
284776,CC1C(C[NH3+])C2CN(C=O)C1C2O,0,GDB ChEMBL
197457,N=C1NC(=O)OCC2CCC(C(=O)[O-])C2C1O,0,GDB ChEMBL
319141,CC(CC[NH3+])Oc1c(C[NH3+])nc2cnccn12,0,GDB ChEMBL
243887,C[NH+]1CC2CCC3(COCC23)C1,0,GDB ChEMBL
346881,N#CC1OCC2CN2CC(O)C1NC(N)=[NH2+],0,GDB ChEMBL
181739,NC(CO)=[NH+]CCC(O)C[NH3+],0,GDB ChEMBL
201159,[NH3+]C1CC2C[NH2+]CC3C2C3C1O,0,GDB ChEMBL
284808,COCCC1CC(Oc2nscc2[O-])CC[NH2+]1,0,GDB ChEMBL
215256,C#CCCC(CC)CC1(C)CCOCC1,0,GDB ChEMBL
112829,CC1CC2CCC3CC(C)C1OC23,0,GDB ChEMBL
305062,CCCC1CNC(=O)CN1,1,GDB ChEMBL
246771,C1=CC2C3CC(c4ccccc4)CC(C1)C23,0,GDB ChEMBL
350280,CC#Cc1cc(C2([NH3+])CC2)c(=O)nc(C)n1,0,GDB ChEMBL
248912,CC1OC(=O)CNC(C(N)=O)C1O,1,GDB ChEMBL
81099,CC(C)CC1COCC(=[NH2+])N1,0,GDB ChEMBL
282015,CN(Cc1csnn1)C1C[NH2+]C(C)(C)COC1,0,GDB ChEMBL
44568,C=C(C)CCC1=CCCCC(C)C1,1,GDB ChEMBL
130416,CCC1(C#N)CC(C)(C[NH3+])CCCC1COC,0,GDB ChEMBL
190417,CC(C)n1ccc2c1CC1=CCOC1CC2,1,GDB ChEMBL
94619,NC(=O)C1(C(CC=NO)CC(=O)[O-])COC1,0,GDB ChEMBL
296650,CCC1C(C)(C)CCCCC1(OC)C(C)(C)C,0,GDB ChEMBL
377962,Cc1c(NCCCO)ncsc(=O)c1=O,0,GDB ChEMBL
240435,CC(NC(C)C)=[NH+]CCC#N,1,GDB ChEMBL
345369,COC(C#N)(C#N)C=C(C)CCO,0,GDB ChEMBL
214907,CCC1CC(C2CC2)C2C(C(C)C)CCC12,0,GDB ChEMBL
119425,O=C1C=C2NCCC2CC1,1,GDB ChEMBL
300681,CC#Cc1c(C)cc(C2CC2)c(CC)c1Cl,1,GDB ChEMBL
281828,NC(=O)CNc1cc(=O)nnc(N)c1O,0,GDB ChEMBL
104661,CCN=C(OCC)C(OC(C)C)C(=O)[O-],0,GDB ChEMBL
372699,CC([NH3+])C1(C(C[NH3+])OCC[NH3+])CCCCC1,0,GDB ChEMBL
318804,CCC(C(C)O)C([NH3+])CO,0,GDB ChEMBL
358850,CCc1nc(CC#N)ccc1F,1,GDB ChEMBL
194752,CC1NC2C[NH2+]C(C2)C2CC1CO2,0,GDB ChEMBL
152561,N#CC(CO)N(CC(CC=O)=N[O-])C(N)=[NH2+],0,GDB ChEMBL
34873,O=C1C(O)C2CC1C(O)CO2,1,GDB ChEMBL
34886,C1CCC2CC3CCCC2C3[NH2+]C1,0,GDB ChEMBL
310120,CC1CC(O)C(O)C([NH3+])CCNS1(=O)=O,0,GDB ChEMBL
199476,Cc1cc2c(c(Cl)c1Cl)CC1C(C)C=CC21,0,GDB ChEMBL
81459,CC12CC3(C)CN3C1c1ccccc1O2,0,GDB ChEMBL
301454,CC1CC2C(CC[NH+]2C)C2CC1C2=O,0,GDB ChEMBL
209696,O=C1CC(O)(C2CO2)CN1,1,GDB ChEMBL
241130,N#CC(CCO)(N=C1NCCC(=[NH2+])N1)C(N)=O,0,GDB ChEMBL
26434,COC(C)(C)C(CCCCC(C)C)C1CC1,1,GDB ChEMBL
73865,C[NH2+]CC1NC(=O)C2[NH2+]CC3(O)C1C23,0,GDB ChEMBL
340094,NC(=O)c1c(C[NH3+])noc1C(CO)CNC=O,0,GDB ChEMBL
252875,N#Cc1cnc(C(=O)[O-])[nH]1,0,GDB ChEMBL
149297,CC#CC1=Cc2ccc(Br)cc2CC1C,0,GDB ChEMBL
65956,C#CC(C1CC1)C(C)(C)[NH2+]C,0,GDB ChEMBL
277445,CC1CC(CO)(C(N)=O)C1,1,GDB ChEMBL
223534,CC(C)CCCC1=CC=CCCCOCC1,1,GDB ChEMBL
199089,CC1CC2CCC([NH3+])C1C2(C)C(C)[NH+](C)C,0,GDB ChEMBL
231110,CC(=O)Oc1ccnc(S(N)(=O)=O)n1,1,GDB ChEMBL
247166,[NH3+]C(C=CC(=O)[O-])(C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
64098,CCC1C=C(CO)CC(CO)C(=O)N1,0,GDB ChEMBL
118671,C#CCn1c(Br)nc(C(N)=[NH2+])cc1=O,0,GDB ChEMBL
252038,NS(=O)(=O)C1CCC(O)C(O)C1C(=O)[O-],0,GDB ChEMBL
109771,CCC1C=CC(C)C(C(C)C)CCC1,0,GDB ChEMBL
297258,O=C1COCCOC(=O)C1CO,1,GDB ChEMBL
255412,CC(C)(C)c1cc2c(F)nccc2c(N)c1O,1,GDB ChEMBL
221163,CNC(=O)Oc1c(OC)noc1CO,1,GDB ChEMBL
114997,COC1CC2[NH+]=C3NCCN3CC1(C)OC2=O,0,GDB ChEMBL
195181,CC(=O)N(C)C1CC2C(O)C1N2C(C)(C)C,1,GDB ChEMBL
391783,CC1CC2CC1C(C[NH3+])CCO2,0,GDB ChEMBL
223999,Nc1cccc(O)c(CC[NH3+])scc1,0,GDB ChEMBL
180062,N#C[C-](C#N)C(C[NH3+])OCC(=O)[O-],0,GDB ChEMBL
81546,Cc1ccnc(OC2C(=[NH2+])N(C)CC2(C)C)c1,0,GDB ChEMBL
186053,CC1CC([NH+](C)C)CC2OC12C,0,GDB ChEMBL
25111,[NH3+]C1C(=O)NC2CC2C12C(O)C2O,0,GDB ChEMBL
263852,CC#CCC(=O)NC(=O)C[NH2+]C,1,GDB ChEMBL
80250,C#CC1(OC(=O)NC)CC2COC1C2(C)C,0,GDB ChEMBL
379897,CCC1(CO)CCC(C)C1C,1,GDB ChEMBL
132432,CC[NH2+]C1C(=O)CC2CCC1C2,0,GDB ChEMBL
24546,CCCC(OC(=N)CC)C(O)(C[NH3+])C(N)=O,0,GDB ChEMBL
25209,CCC1COC(C2C(=N)OC(C)C2C)CN1C,0,GDB ChEMBL
133349,CC1(C#N)NC(=N)C2[NH2+]C(C(=O)[O-])CC(O)C21,0,GDB ChEMBL
354960,COCc1nc(Cl)c(CC2CC2)cc1N,1,GDB ChEMBL
222173,CN1Cc2sncc2C(C(N)=O)C1CO,0,GDB ChEMBL
35681,Cc1cc(NCC(C)(C)C)ccc(=N)[nH+]1,0,GDB ChEMBL
147950,COC(=O)NC(=O)C1CN1C=O,1,GDB ChEMBL
24054,CCC1[NH+]=CNC1(CO)CC(=O)NC(=N)N,0,GDB ChEMBL
339984,C#CC1CC2CC2(CCCCC)[NH+]1C,0,GDB ChEMBL
76806,CC1=C(C(=O)OCC2(C)COC2)C([NH3+])CN1,0,GDB ChEMBL
243771,CCc1cc(I)c(N2CC2)cc1CC#N,1,GDB ChEMBL
66737,NC(=O)CC1OC(=O)OC1C[NH3+],0,GDB ChEMBL
17040,C#CC(=NO)C(C)(C=O)CC1COCC[NH2+]1,0,GDB ChEMBL
296398,CC1CCC2C(C[NH+](C)C)C2C1=O,0,GDB ChEMBL
126841,CN1C(=N)N(CC(N)=O)CC(C)(N)C1=O,0,GDB ChEMBL
366757,NC1=[NH+]c2cc(=O)[nH]nc2NCCOCCC1,0,GDB ChEMBL
95569,C=CC[NH+]1CC2CC=CC1C(O)C2,0,GDB ChEMBL
352824,Nc1cc(Cl)c2c(c1-c1ccccc1)CCC2,1,GDB ChEMBL
206840,CC(=O)Oc1nn(C)c2c1COC(=O)C2,1,GDB ChEMBL
75052,CN(CCO)c1nc2nc(C=O)c([O-])cc2o1,0,GDB ChEMBL
166469,CC(=O)CCc1coc2nc(C)ccc12,1,GDB ChEMBL
221144,CC1(OC(N)=O)C[NH2+]CC(O)C(O)C1O,0,GDB ChEMBL
133041,CCC(CC1C(CC)C1(C)CC)[NH+](C)C,0,GDB ChEMBL
64053,CC1C=CCC1C1CC=CCCC1,0,GDB ChEMBL
235931,CCC(C)CC1C(CC)C2C[NH+]1C2,0,GDB ChEMBL
269325,CCc1nocc1NC1CCCC1,1,GDB ChEMBL
161422,CCCC(C(C)C)C1CC(C)CC=C1C,0,GDB ChEMBL
147411,CNC(=O)C1OC=NC2COC1C(C(N)=O)C2,0,GDB ChEMBL
188536,Cc1c(C#N)c(F)c(C(C)C)c2c1OCC2,1,GDB ChEMBL
337774,CC1(CCCO)CCCNC1=O,1,GDB ChEMBL
395962,COCCOCCNc1cccc(OC=O)n1,1,GDB ChEMBL
152486,N#CC(CN)C1(O)C2NC(=O)C(O)C21,0,GDB ChEMBL
257975,CCC1(OC)CC=C(C)CC1C,1,GDB ChEMBL
121748,COC1C(C)C2C[NH2+]C(C)C1OC(=O)C2O,0,GDB ChEMBL
173864,CC(OC(C#N)C=N[O-])C(=O)NCC(=O)[O-],0,GDB ChEMBL
374389,CC(C#N)CC([NH3+])CCO,1,GDB ChEMBL
135402,C#CCC1C(C)C=C(C)CCC1(C)CC,0,GDB ChEMBL
136557,CC1(O)C(O)C(NC(N)=[NH2+])C1S(C)(=O)=O,0,GDB ChEMBL
202839,CC1NCC([NH3+])C2CC2(C)NC1=O,0,GDB ChEMBL
396132,CN=c1ccc(O)cc(C)c2cc([nH]1)OC2=O,0,GDB ChEMBL
157481,CNC(=O)N1C(=N)NC2COC(=N)C1C(O)C2,0,GDB ChEMBL
285579,CS(=O)(=O)C1(COC(N)=O)C(O)C1O,0,GDB ChEMBL
285586,CCCc1c(F)c(=O)c(F)cn1CCOCC,1,GDB ChEMBL
110260,NC(=O)C1OC(CO)C(O)C1CO,0,GDB ChEMBL
181169,C#CCC(C)c1ccc(C#C)c(CCC)c1F,1,GDB ChEMBL
361137,N=C1NC(=O)CC(C([NH3+])CO)N1,0,GDB ChEMBL
112432,CC1CC(C#N)C2CC(O)(CC[NH2+]2)C1C,0,GDB ChEMBL
51026,C[NH2+]C(CCS(N)(=O)=O)C(N)CO,0,GDB ChEMBL
141827,Cc1coc2c3c(F)ccnc3n(C)c12,0,GDB ChEMBL
207962,CC1C(O)CCC1n1ccnc1,1,GDB ChEMBL
392729,CNC(=O)c1nn[n-]c1C(O)C(C)[NH3+],0,GDB ChEMBL
97749,CC(CC[NH3+])C1(C)CC(O)C=CC(N)=[NH+]1,0,GDB ChEMBL
107673,CCC1CC(C(F)(F)F)C(C)(C(C)C)C1,0,GDB ChEMBL
207714,NC(=O)NC1C2CC(C(=O)[O-])C(O2)C1O,0,GDB ChEMBL
264957,NS(=O)(=O)OC1C2C(=O)NCC12CO,0,GDB ChEMBL
198619,CC(O)C1C2(C)[NH2+]CC(C(N)=O)C12CO,0,GDB ChEMBL
266467,N=C1OCC2OC12CC(=O)[O-],0,GDB ChEMBL
112350,CC(=O)OC1C[NH2+]CC2(CC2[NH3+])C1O,0,GDB ChEMBL
385915,C#CC1=CCC(O)C(C#N)C1,1,GDB ChEMBL
40009,COC(C1NCCCOC1=O)C1NC1CO,0,GDB ChEMBL
320790,C#CCCC1C=CCCCC1(C)CC,0,GDB ChEMBL
317354,CC[NH+](C)C1=C(C(=O)[O-])C(C)OC1,0,GDB ChEMBL
31365,C#CC1(OC(C)=O)C(C)CC(C=O)C1O,1,GDB ChEMBL
318387,CC1CC2CCCC1C=CC(C)(C)C2,0,GDB ChEMBL
263309,O=C1C=C(C(=O)C(=O)[O-])C(CO)CCO1,0,GDB ChEMBL
271350,CCS(=O)(=O)NCC(C)OCC[NH3+],1,GDB ChEMBL
9820,CN1C(=O)OC2CC3CC1C2O3,1,GDB ChEMBL
4951,CC(C[NH3+])C1(CCC(N)=O)OC1S(N)(=O)=O,0,GDB ChEMBL
334087,CCCC[NH2+]Cc1c[nH]c2c1C(CO)OC2=N,0,GDB ChEMBL
130587,CC1C2NC(=O)C1(C(=O)[O-])CN(C)S2(=O)=O,0,GDB ChEMBL
118691,CC1([NH2+]C(CN)C(O)CC[NH3+])CC1,0,GDB ChEMBL
348852,CCCC(C(C)O)C1CC2CC(C)CCC1C2,0,GDB ChEMBL
38472,Cn1cncc1C(C=O)=N[O-],0,GDB ChEMBL
328878,CC(CC1CC1CO)c1ccc(F)nc1,1,GDB ChEMBL
169470,CNC(=[NH+]C)N(C)C(C)(CO)C(O)C(F)(F)F,0,GDB ChEMBL
352832,CC(O)C1CC2C1C(C)CCC=CC[NH+]2C,0,GDB ChEMBL
305510,CCC(C)C[NH2+]C1CC=CC1,0,GDB ChEMBL
75017,C#CC1NCC1C(CC=C)[NH+](C)C,0,GDB ChEMBL
184689,CC1[NH+](C)CCC2CC1(CO)C2,0,GDB ChEMBL
202524,CCCC(CC)C(C)(C(C)C)C1OCCC1O,0,GDB ChEMBL
156201,COC1CS(=O)(=O)CC1OCCC1CN1C,1,GDB ChEMBL
240521,CC(CO)(OC(N)=O)C([NH3+])CCOCCO,0,GDB ChEMBL
29671,C=CCCC=C(C)C(C=C)CCC,1,GDB ChEMBL
201176,NC(=[NH2+])CCC(=O)C1C[NH+]=CN1,0,GDB ChEMBL
79596,CC1=C(C)C2(CC1O)OCCN(C)C2=O,0,GDB ChEMBL
317368,CC1C[NH+](C)CCC([NH3+])CC2CC12,0,GDB ChEMBL
156220,CN1CCc2cccnc2Oc2nc(co2)C1,1,GDB ChEMBL
398902,CC(=O)CC(O)(CO)C1OC1C,0,GDB ChEMBL
312537,CC(O)C([NH3+])C(C[NH3+])C(O)CO,0,GDB ChEMBL
320312,Nc1cc(N)sc(C(=O)[O-])c(N)c(C[NH3+])cn1,0,GDB ChEMBL
261171,C[NH2+]C1COC2C1CCC(C)(C)C2[NH3+],0,GDB ChEMBL
168457,CC1C(O)C=CC1[NH2+]CCO,0,GDB ChEMBL
181526,[NH2+]=C1OCC(NC=O)CN1C1CC1,0,GDB ChEMBL
332439,CC(=N[O-])C(C#N)NCC(=O)C1(CO)CC1,0,GDB ChEMBL
262543,COC(C)C[NH2+]CC1(N)CCCC1OC,0,GDB ChEMBL
213998,CC1=C(N(C)C)CC(O)CCCOC1=O,0,GDB ChEMBL
182542,CCc1ccc(Cl)c2c1C1(CC1)N(C)C2,1,GDB ChEMBL
225370,CNC(=[NH2+])N1C(CO)C1C(N)C(N)=O,0,GDB ChEMBL
331740,CC(=O)NCCC(C=O)S(N)(=O)=O,1,GDB ChEMBL
79587,CCCc1[nH]cc(C)c1CC,1,GDB ChEMBL
384833,COC(=O)C1C(O)C2C(=O)OCC12,1,GDB ChEMBL
111512,C[NH+]=C(N)C(COC)C(=O)[O-],0,GDB ChEMBL
92847,CC1C2CCC(CC(C)C23CC3)[NH+]1C,0,GDB ChEMBL
87152,NC(=O)c1c([O-])c(NCCO)nc(C=O)c1O,0,GDB ChEMBL
279269,C[NH2+]CCCC1OCOC(=O)NC1=O,0,GDB ChEMBL
250630,CC1CC1COc1ccn(CCO)n1,1,GDB ChEMBL
112068,C#CC1C(CCC)OC(C)C[NH+]1C(C)C,0,GDB ChEMBL
375905,CC1CCOC(=O)CC2(C)CC2C(C)C1,0,GDB ChEMBL
67343,CC(C(=O)[O-])C1(O)CC(C(O)C[NH3+])C1[NH3+],0,GDB ChEMBL
320482,[NH3+]C(C(=O)[O-])C(CO)[N-]c1nnnnn1,0,GDB ChEMBL
73824,CN=C(NCC([NH3+])C1CC1)C(=O)[O-],0,GDB ChEMBL
277143,COCCC1C2C(=[NH2+])NCC12C,0,GDB ChEMBL
173167,CCCc1cc(Cl)cc2c(C)c[nH]c12,1,GDB ChEMBL
277624,CC1CC([NH3+])Cc2c(O)cccccccc21,0,GDB ChEMBL
355420,COCCS(=O)(=O)C1CC(CO)NC(=O)N1,0,GDB ChEMBL
235960,CC1=CC(C)CC(C)CCC2CCC(C1)[NH2+]2,0,GDB ChEMBL
246802,O=C1NC2C(C(=O)[O-])C(O1)C1CC12O,0,GDB ChEMBL
159843,CC1=CC(CO)C2CC2c2c(Cl)cccc21,1,GDB ChEMBL
340127,NC(=[NH2+])N1CCOCC12C(N)C2O,0,GDB ChEMBL
227499,Cc1cccc(OCC(C)([NH3+])CCCO)c1Cl,1,GDB ChEMBL
27774,CCC1CC(C2CC2)=CC1(O)COC,1,GDB ChEMBL
348810,C#CCC1=CC(CCCC)CC12CC2,1,GDB ChEMBL
277945,CC(C)C([NH3+])C1(C)CCCCO1,0,GDB ChEMBL
313304,[NH3+]CCC1COCOC(=O)N1,1,GDB ChEMBL
249813,Cc1cnc(C#N)c(C)oc(N)cc1C(=O)[O-],0,GDB ChEMBL
354781,OC1CC[NH2+]C2CC([NH2+]C1)C1CCCOC1C2,0,GDB ChEMBL
78632,O=C([O-])C[NH2+]CCOCC12CC[NH+](CCO1)C2,0,GDB ChEMBL
204356,CC(C)OCC1[NH2+]CC(C(N)=O)C1(C)N,0,GDB ChEMBL
358508,CC(O)C1C(C[NH3+])CCC2CN21,0,GDB ChEMBL
223490,C#CC1CC(O)(CC[NH3+])CC1(C)O,0,GDB ChEMBL
66754,C#CCOCC[NH3+],1,GDB ChEMBL
261468,CC(C)c1c(Cl)ccc2c1C=CCC2,1,GDB ChEMBL
109605,CC(=CC12CC1C[NH2+]C2C)CC[NH3+],0,GDB ChEMBL
6860,C=CC(C)C1CCCCCC1(C)C,0,GDB ChEMBL
362556,CC(C(=O)[O-])C1C2COC1C1CC12,0,GDB ChEMBL
378249,CCC1(C[NH2+]C(C)C)CC(C)(C=O)C(=O)N1C,0,GDB ChEMBL
337416,CNC(C#N)CC1CC(=O)CC(=O)C(C)N1,1,GDB ChEMBL
16754,NC1=[NH+]CC(C(C(=O)[O-])C(=O)[O-])OCC(=O)C1,0,GDB ChEMBL
140113,CC1(C(=O)[O-])C2OCCC2C2([NH3+])CC21,0,GDB ChEMBL
369854,CC(C)CC1=CC=CCCCC1,1,GDB ChEMBL
174691,CC#CCC(C)CCCC1CCCC1,1,GDB ChEMBL
248897,N#Cc1nc(N)ccc1NC=[NH2+],0,GDB ChEMBL
261469,OC1CC2C=CC=CC(C1)O2,0,GDB ChEMBL
70331,CC12NCC(C#N)C(NC1=O)C2O,0,GDB ChEMBL
396094,C#Cc1cccc(C(C#C)C#C)c1C,0,GDB ChEMBL
113520,COC1OCC2(O)C(C(=O)N(C)C)CC12,0,GDB ChEMBL
384799,CC(C)=CCc1c(I)cccc1I,1,GDB ChEMBL
5300,C#CC(O)COCC(C)C,1,GDB ChEMBL
290281,Clc1cccc2c1C=C1C=CCCC12,1,GDB ChEMBL
190094,Cc1cncc(C([NH3+])C(C)(O)C(O)C(=O)[O-])n1,0,GDB ChEMBL
116587,CC(O)(CC=O)C(=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
66658,Cc1[nH]cc2c1CC(O)C(CCO)N2,0,GDB ChEMBL
89673,CC(O)CC(C)OC(C)(C)C,1,GDB ChEMBL
33902,CCC1C2[NH2+]CCC(C[NH3+])C12,0,GDB ChEMBL
255541,Brc1ccc(CC2CNC=[NH+]2)nc1,0,GDB ChEMBL
283243,N#CC1CC2NC1CC(O)CC[NH2+]C2C(N)=O,0,GDB ChEMBL
361800,CCCC1C(C)CC2CCCCC1C2CCC,0,GDB ChEMBL
228420,CCC1NC(=O)C(OC)C1[NH3+],0,GDB ChEMBL
319848,CCC1CC(C2CCCC2)C2CCCC[NH+]12,0,GDB ChEMBL
311005,COC(CC[NH3+])(CCO)C(C)O,0,GDB ChEMBL
80283,CC1([NH2+]CC(C[NH3+])CO)CC1,0,GDB ChEMBL
277994,C#Cc1c(C)ccc(Br)c1C(C)C(C)C,1,GDB ChEMBL
35694,C[NH2+]CC1COC(=O)CC2COCOC2C1O,0,GDB ChEMBL
111604,CC[NH2+]CCC1OC12CCCCC2,0,GDB ChEMBL
49156,CC(C)C1=CCC(CC2CC2)CC1(C)C,0,GDB ChEMBL
352575,CC(O)C1C([NH3+])C1(O)CNS(C)(=O)=O,0,GDB ChEMBL
391426,CCc1cc(CC[NH3+])cc2c1C1[NH2+]CC1C2,0,GDB ChEMBL
207674,CC#CC(N)(C[NH3+])CC1C[NH2+]CC1OC,0,GDB ChEMBL
177145,CCc1c(N)c(C)nc(CC(C#N)C[NH3+])c1N,0,GDB ChEMBL
190795,CCNc1c(OC)ccn2cc(O)c(N)c12,0,GDB ChEMBL
260746,C#CC(C)(CCCC)C1CCCC(C[NH2+]C)C1,0,GDB ChEMBL
289849,CC1CC(O)(C(=O)CO)C1,1,GDB ChEMBL
334156,Cc1ccc2c(c1)CC(C)(C)[NH+](C)C(C)C2,0,GDB ChEMBL
184073,[NH3+]CCC1(CC2CCC2)C[NH2+]C1,0,GDB ChEMBL
173915,COCCN(Cc1ccnnn1)C(N)=O,1,GDB ChEMBL
48494,C#CC(CC(C)OC)C[NH+](C)C,0,GDB ChEMBL
138392,CCCOc1ccncccoc1C,0,GDB ChEMBL
34288,NC(=O)C(O)Cn1cccn1,1,GDB ChEMBL
194283,CCNC(=O)c1csc(NS(C)(=O)=O)c1N,1,GDB ChEMBL
99846,C[NH2+]CC(O)CNc1ncc(N)s1,0,GDB ChEMBL
48723,CN1CC12CN(S(C)(=O)=O)C(CO)CC2O,0,GDB ChEMBL
162879,CCNC(C[NH3+])C[NH+]=C(N)NC(N)=O,0,GDB ChEMBL
842,CC[NH2+]C1CC(O)C2CC1(CC=O)C(=O)N2,0,GDB ChEMBL
365769,CC1C(C(N)=[NH2+])C(N)C[NH+]1C,0,GDB ChEMBL
363145,CNC(=O)NCC1([NH3+])CC(=N)OC(C)C1C,0,GDB ChEMBL
281782,CC(=O)Cc1c(C#N)ncc2c[nH]c(=O)cc12,1,GDB ChEMBL
269371,CCC(C)(C1COC1)C1CN1C,0,GDB ChEMBL
120395,Cc1ccncc1C1C2C[NH2+]C(CCO)C21,0,GDB ChEMBL
77733,CCN(C(=O)C1CO1)C1CNC1C#N,0,GDB ChEMBL
390083,CCCC#CC1C(C)C2C[NH+](C)CC12,0,GDB ChEMBL
234953,C#Cc1c(Cl)c(Cl)cc(C(F)(F)F)c1CC,1,GDB ChEMBL
284724,C#CCC(C1[NH2+]CC2CC21)C(C)(C)C,0,GDB ChEMBL
17663,CC[NH+]1CCC(O)(CC(C)[NH3+])C1(C)C,0,GDB ChEMBL
148534,C=CCC(N)(C[NH3+])c1cncn1C,0,GDB ChEMBL
691,CCC1CCC2C(O)C(C1)C1CCC21,0,GDB ChEMBL
359103,COCC12CC(=O)NC=C1C(=O)C(C)O2,0,GDB ChEMBL
260724,CS(=O)(=O)c1ccsc1CO,1,GDB ChEMBL
84955,CCOC(=O)CS(=O)(=O)COCC(N)=O,1,GDB ChEMBL
341168,O=C1COC(=O)C2CC2(O)CN1,1,GDB ChEMBL
173744,CCCCC1(C2CC(OC)C2)CCC1,1,GDB ChEMBL
203134,C[NH2+]CCOC(=O)COCC(C)CO,0,GDB ChEMBL
355405,COCC([NH3+])C1CC(C(N)=[NH2+])C(O)C1O,0,GDB ChEMBL
138382,CC#CC1C(O)(C(=O)[O-])C(=O)[N-]S1(=O)=O,0,GDB ChEMBL
386415,CC(CCOC(N)=O)NC(=O)C(N)C(N)=[NH2+],0,GDB ChEMBL
124203,CC1CC2OC(C)C1(C)C1CCCCCC2C1,0,GDB ChEMBL
221694,CC1CC(=[NH2+])N(C)C(N)=[NH+]CCC1[NH3+],0,GDB ChEMBL
23504,N#CC1(N)CC12OC(=O)NC2C(=O)[O-],0,GDB ChEMBL
292243,COC(C(C)O)C(N)C1CC2CC(C)C[NH+]1C2,0,GDB ChEMBL
168429,[NH3+]C1CC(O)(CCc2ncoc2C(=O)[O-])C1,0,GDB ChEMBL
350950,CC1N2C(=O)CC3[NH+](C)CCCCC132,0,GDB ChEMBL
95566,CCc1nccc2c1NCC2,1,GDB ChEMBL
29806,CC[NH+]1CCCN=C(NC(C=O)C(N)=O)C1C,0,GDB ChEMBL
321777,CC1(C(=O)[O-])COCC(CO)CS(=O)(=O)N1,0,GDB ChEMBL
66672,CS(=O)(=O)NC1COCC12CN2C(N)=[NH2+],0,GDB ChEMBL
173880,CNS(=O)(=O)CC(C)C(CO)C(N)=O,0,GDB ChEMBL
26327,CCCC1CC=CNC(=O)C2=C(C)[NH+]1CC2,0,GDB ChEMBL
62819,CC1C[NH+]=C(N)C(C[NH3+])CO1,0,GDB ChEMBL
220191,COCc1ccc2snc(C(C)(C)C)c2c1F,0,GDB ChEMBL
285741,CC1(C)COC(C2CC2)CC(C(=O)[O-])O1,0,GDB ChEMBL
45990,C#CC1CC2C(CCCOC)C3CC3C2C1,0,GDB ChEMBL
309154,CS(=O)(=O)C(CNC(CO)CO)C(O)CO,0,GDB ChEMBL
375710,CCCC(C)CC([NH3+])C(C)CCC([NH3+])CC,0,GDB ChEMBL
383703,N=C(NC(=O)CS(N)(=O)=O)OCCC(N)=O,1,GDB ChEMBL
37137,CCCC1C2CC2C2CC(O)CC12C,0,GDB ChEMBL
21836,CC(C)C(CCO)COCC(CO)C(C)C[NH3+],0,GDB ChEMBL
38734,CC1(O)CCC2(NC(C[NH3+])CO)C(O)C12,0,GDB ChEMBL
64064,[NH3+]CCC1CN=CNC=[NH+]C1,0,GDB ChEMBL
204382,C[NH+]=C(N)CC(CC(C)C)C(=O)C(C)[NH2+]C,0,GDB ChEMBL
44107,CC1CC2(CO)[NH2+]C(Cn3cccc3)C1C2N,0,GDB ChEMBL
24006,CCC1CC1C1C2CCC=CC2CC[NH+]1C,0,GDB ChEMBL
169377,C#CC(C)c1cc2c(cc1Br)CCCC2CC,1,GDB ChEMBL
274378,CC1CCCCCC2(C)C=CC(C#N)[NH+]12,0,GDB ChEMBL
135420,CC1(N)C([NH3+])CC1C(=O)OCCO,0,GDB ChEMBL
186629,CCC1C=C2COC(C2=O)C(CO)[NH2+]C1C,0,GDB ChEMBL
298907,CCC1CCCC(C)C1C#N,1,GDB ChEMBL
147247,CC(C(N)=[NH2+])C(CCC#N)=NO,0,GDB ChEMBL
696,O=C1Cc2n[nH]c([O-])c2C(CO)N1,0,GDB ChEMBL
79593,CCCC1(C)C2CC(CC)C1(C)CC(C)C2=O,0,GDB ChEMBL
20763,CC1OC(OCC[NH3+])C(=N)NC(=O)CCC1O,0,GDB ChEMBL
224020,NC(=[NH2+])c1cnnc(N)c1C(O)CC[NH3+],0,GDB ChEMBL
165664,Cc1c(Cl)cc(CCC[NH3+])cc1Cl,0,GDB ChEMBL
392538,C#Cc1c(Cl)cc(CC)c(CC[NH3+])c1C(C)C,0,GDB ChEMBL
107866,CC(C1=CC(C[NH3+])CC1)N1CCC=CC1=O,0,GDB ChEMBL
38571,CC(C)C(=O)C1COC(C)C(=O)C1,1,GDB ChEMBL
361791,CCC[NH2+]CC(COC)COCS(C)(=O)=O,0,GDB ChEMBL
64297,CC[NH2+]CC([NH3+])CC,0,GDB ChEMBL
312500,CCc1ccc(NC)nc(NC)[nH]c(CC)c1,0,GDB ChEMBL
130176,COC1CCCC2[NH2+]CC2CC1,0,GDB ChEMBL
90277,CCC[NH+](CC)C1CC12CC([NH3+])CC2C,0,GDB ChEMBL
109573,CCC1OC(C(C)[NH3+])=NC1CO,0,GDB ChEMBL
62818,C[NH2+]C1C(O)C2C3C1OCC23C(=O)[O-],0,GDB ChEMBL
340475,CC(C#N)C1OC(CO)C2CC21,0,GDB ChEMBL
50346,CCC1(C)CC(C)CCC1(C#N)C(F)(F)F,0,GDB ChEMBL
368228,C#CC#CC(=O)NC(C)CCC#N,1,GDB ChEMBL
251448,CCCC1C2CCC#CCCC1CC2,0,GDB ChEMBL
382146,NC(=[NH2+])N1C2C(C(=O)[O-])CC(O)C(N)C21,0,GDB ChEMBL
174165,Nc1cccc(C[NH+]2CCC2)c1,1,GDB ChEMBL
361145,C#Cc1cc(C2CC2)cc2cc(C)ccc12,1,GDB ChEMBL
47809,CC1CCC2CC(O)CC=C2CC[NH2+]1,0,GDB ChEMBL
362654,C1CC[NH+]2CC3(CC1)CCC2C3,0,GDB ChEMBL
81482,CC1(C)Cc2cc3c(cc2C1)CCCC=C3,1,GDB ChEMBL
18792,Cc1ccc(Cl)cc1CCC(O)C(C)(C)C[NH3+],0,GDB ChEMBL
59691,CCC1C(=O)OC2C(OC)C12,0,GDB ChEMBL
61749,O=C([O-])CCCCCC(=O)[O-],1,GDB ChEMBL
47180,CC(=N[O-])C(C#N)N(C)CC(N)=O,0,GDB ChEMBL
13128,Fc1cccc2c1NCCC#CC=CC2,1,GDB ChEMBL
358507,CCC[NH2+]CCCC(=O)C#N,1,GDB ChEMBL
141725,CCOCC(C)(O)C1(NC(N)=[NH+]C)CC1,0,GDB ChEMBL
319794,CN1CC2C(CO)[NH2+]CC2(CO)C1CC[NH3+],0,GDB ChEMBL
249872,CNC1=[NH+]C(CCOC)C(C#N)C1(C)C(N)=O,0,GDB ChEMBL
109611,CC12CCCC[NH2+]CC1(N)C2,0,GDB ChEMBL
53829,N#CC1CC(CCC(=O)[O-])C=CC1O,0,GDB ChEMBL
33582,CC([NH3+])C(=O)NC1=NC2c3cn[nH]c3C1C2O,0,GDB ChEMBL
176488,CCCC(C)C(C)([NH3+])C1(O)C[NH2+]C1,0,GDB ChEMBL
388434,CCCCCC(C)C=CCC[NH2+]C,0,GDB ChEMBL
321417,Clc1ccc2c(c1)C=C1C3CC(C3)C1C2,0,GDB ChEMBL
255336,C=CCCCC(=O)C1(C)C(C)C1C,1,GDB ChEMBL
91162,CC1([NH3+])C2CNC(=O)C1(CO)OC2,0,GDB ChEMBL
378095,CC(C)(O)C(O)CCC(=O)OCC1COC1,1,GDB ChEMBL
203114,N=C(Nc1cc(Cl)cnc1N)C(O)CC(=O)[O-],1,GDB ChEMBL
156735,COC(C)C1CC2CC1C(=O)NC=C2C=O,0,GDB ChEMBL
118717,C#CCC(O)C1CC(CC)=CCC1=O,1,GDB ChEMBL
203646,[NH3+]CC1C2COCCC12C(=O)[O-],0,GDB ChEMBL
37590,Nc1cc[nH+]c(CC(O)CCNC=[NH2+])c1,0,GDB ChEMBL
34429,CCC(C)(C)C1C2CCCCCC(C)C21,0,GDB ChEMBL
194425,Cc1oncc1CN1CC1,1,GDB ChEMBL
248222,N#CCC1CC(=O)C2CC(=O)NC2C1,0,GDB ChEMBL
230270,C#CC1CC2CC1(C)C1CC[NH2+]C1C2C(N)=O,0,GDB ChEMBL
153227,C[NH2+]CC1C(C)NC(C=O)C1OC,0,GDB ChEMBL
362216,C#CC(CC)CC[NH+](C)CC,0,GDB ChEMBL
5003,CCc1cc(C)c(NCCCC(C)C)cc1F,1,GDB ChEMBL
167301,C[NH2+]C(C)(C)C1C(=O)CCC(C)C1C,0,GDB ChEMBL
173994,C[NH+](C)C1CCCS(=O)(=O)NCC1O,0,GDB ChEMBL
337408,C=C(CCC)C(C)C(O)CN1CC1,1,GDB ChEMBL
372191,C#CC(C#C)CCC(C)CCCCN1CC1,1,GDB ChEMBL
225394,CC1CC(C2CC2)C(CC(C)(C)C)C1C,0,GDB ChEMBL
3990,CNCC(=O)OCC[NH+]=C(N)COC,0,GDB ChEMBL
362328,CC(C)C(CC[NH3+])C1(C)CC=C(C#N)C1,0,GDB ChEMBL
33229,COC(C(N)C(O)C(N)=O)S(N)(=O)=O,0,GDB ChEMBL
349944,CC1CC(O)C2(C)COC1COC2=O,0,GDB ChEMBL
190291,NC(=O)c1cc(C2CC2)c(N)o1,1,GDB ChEMBL
386221,CCC1=CCC2OC(C)C(CO)CC2[NH2+]C1,0,GDB ChEMBL
18796,COC(C)C1([NH3+])C2CN(C)C(=O)C21O,0,GDB ChEMBL
275596,COC(=O)c1nc(C(C)([NH3+])CC(N)=O)cs1,0,GDB ChEMBL
62035,C[NH2+]CCC1C2[NH2+]CC(CO)C12,0,GDB ChEMBL
296630,CNC(=O)C(C(N)=[NH2+])C(C)C([NH3+])(CO)C(C)O,0,GDB ChEMBL
104926,CC1OC(C)(C)CCC12CC[NH2+]CC(C#N)C2,0,GDB ChEMBL
81538,CC(OCCO)C1(C)C[NH+]2CC(C2)C1O,0,GDB ChEMBL
250618,NC(=O)C(O)C1=NC2CCCC2CN1,0,GDB ChEMBL
35312,CNC(=[NH2+])c1ccc(Cl)c(Cl)c1,0,GDB ChEMBL
184246,CC1C2C3C2[NH+](C)CCCC3[NH+]1C,0,GDB ChEMBL
224019,CCC(C)(C)C1C2CCCC1(C)CC2C,0,GDB ChEMBL
389620,CC=C(CC)CC(C)OC1COC1,1,GDB ChEMBL
175902,[NH3+]CCC1([NH3+])CC[NH2+]CC1,0,GDB ChEMBL
63141,C#Cc1cc(C2CC(=O)CC(C)C2)c(Br)cn1,0,GDB ChEMBL
312226,CC(C[NH3+])NC1CC(C)(O)C1OCCO,0,GDB ChEMBL
338880,CC(C)CC(O)(C[NH3+])C1CCCOC1,0,GDB ChEMBL
298936,Nc1nc(N)c2c(n1)OC1OC(CC1=O)C2,1,GDB ChEMBL
119275,CCC1C=CNC(=O)C(=O)CC1,0,GDB ChEMBL
29247,C[NH2+]C1(CCCOC)CC=CC1(C)C#N,0,GDB ChEMBL
21883,NC(=O)C(CNC(=O)C[NH3+])N=C(N)CO,0,GDB ChEMBL
104718,CCC[NH2+]C(CO)C1=[NH+]CCCCN1,0,GDB ChEMBL
304470,COC(CC#N)CC1(C)C2CCN(C)C1C[NH2+]2,0,GDB ChEMBL
80268,CNC(=O)C1NC(C[NH3+])CC(C#N)C(N)C1N,0,GDB ChEMBL
7413,NC1C(=O)OCC([NH3+])C2C(CC(=O)[O-])C[NH2+]C12,0,GDB ChEMBL
223521,O=C1CC(CC2CCCC2)C1,1,GDB ChEMBL
385981,NC(=O)CC1(N)C[NH2+]C1C(=O)[O-],1,GDB ChEMBL
383334,CNc1ccnc(C)c1C#N,1,GDB ChEMBL
89387,CC1C(=[NH2+])NC(C(N)=O)C1(O)C(O)C(=O)[O-],0,GDB ChEMBL
17587,COC(=N)NC(=O)NCC1(C#N)COC(=O)C1,0,GDB ChEMBL
90314,CC(C)(C)CCC1OC(=O)CCOC1(C)C,1,GDB ChEMBL
141865,CCC1(C)CC2CC=C(COC)CC2C1,0,GDB ChEMBL
150547,N#CC1[NH+]=C(N)CC1CC(=O)[O-],0,GDB ChEMBL
130618,C#CC([NH3+])(C(=O)[O-])C1COCCCC(OC)C1,0,GDB ChEMBL
223984,Cc1c(Cl)ccc(CC#N)c1CCC1CC1,1,GDB ChEMBL
201419,CC1CC=CC(C#CCO)C=CC1,0,GDB ChEMBL
281027,CC(C(=O)N(C)CC[NH3+])S(=O)(=O)[O-],0,GDB ChEMBL
330030,CC(C)C1CC2C(C(=O)N2C)C1O,0,GDB ChEMBL
37338,NC(=O)Nc1onc(N)c1C(O)CO,1,GDB ChEMBL
251847,C[NH2+]CC1(C)COC12CNC(=O)C2,0,GDB ChEMBL
263508,CCC1(CCC(F)(F)F)CCC(C)CCC1C,0,GDB ChEMBL
320476,CC[NH+]=C1NC2CC(C#N)C(O)C(O)C(C2)O1,0,GDB ChEMBL
159904,CNC(=O)[N-]S(=O)(=O)OC(=N)COC,0,GDB ChEMBL
208588,CC(O)C(CCO)C(N)=O,1,GDB ChEMBL
44563,O=C1OC2CC[NH+]3CC1CC23,0,GDB ChEMBL
263162,CCCC1CC(C)C2([NH+](C)CCC)CC1C2,0,GDB ChEMBL
17283,C[NH2+]CCC1C(O)C2CC2C1C(C)C,0,GDB ChEMBL
310259,C[NH2+]C(C(=O)[O-])C1C(O)C1NC(N)=[NH2+],0,GDB ChEMBL
48752,CN1CCC(CO)Oc2cncc(F)c21,1,GDB ChEMBL
193800,[NH3+]C1C(O)COc2cccc(Cl)c2C2OC21,0,GDB ChEMBL
25123,CCN(C)C1(C2CO2)CN(C)S(=O)(=O)C1,0,GDB ChEMBL
234230,COC1CCC2(CC2)CN=C2COCC1N2,0,GDB ChEMBL
396108,N=C1NC(=O)C(C(CC=O)CCO)O1,0,GDB ChEMBL
338938,CC1CC[NH2+]C2C=C1C=CCCCC2,0,GDB ChEMBL
146904,Cn1cc(C#CC=O)c(C(=O)[O-])n1,0,GDB ChEMBL
227543,CC1(C2CCC2)CC2C[NH2+]C1CCO2,0,GDB ChEMBL
310170,Cn1c(CO)nc(=O)n(CC(N)=O)c1=O,1,GDB ChEMBL
70956,CC(=O)NC(CC(C#N)CO)S(=O)(=O)[O-],0,GDB ChEMBL
100738,N#Cc1nnn(CC(CO)C(N)=O)n1,1,GDB ChEMBL
383290,C[NH2+]C1C2CCCC(C2)C1(C)C1CCOC1,0,GDB ChEMBL
201055,CC1C2OCC(C[NH+](C)C)C(CO)C1OC2=O,0,GDB ChEMBL
59677,CCc1[nH]c(=NCC(C)[NH3+])nc2c1COCC2,0,GDB ChEMBL
292961,CNS(=O)(=O)CC(CO)CC(N)C(C)[NH3+],0,GDB ChEMBL
208408,[NH3+]CC1CC([NH2+]C2CC2)C2CCOC12,0,GDB ChEMBL
72370,CC(C)CN(C)CC1[NH2+]CC1C(C)CO,0,GDB ChEMBL
205739,CCCC1CC=C(C2CC2)C(CC)C1,0,GDB ChEMBL
123044,NC(=[NH2+])CNS(=O)(=O)c1cnc(N)cc1F,0,GDB ChEMBL
35329,CCC(C(=O)NC)S(=O)(=O)NC,1,GDB ChEMBL
64616,C#CC(C)[NH2+]C1COCC(CC)C1,0,GDB ChEMBL
181023,Cc1sc(C(=O)[O-])c(O)c1C,1,GDB ChEMBL
220136,CC(=O)C1(CNC(=O)CCOC(C)C)CN1,0,GDB ChEMBL
310294,CCCC(N)=[NH+]c1c(CO)nn(C)c1C,0,GDB ChEMBL
351125,C[NH2+]C(C)C(C)(COC)OC,1,GDB ChEMBL
275595,O=C1NC2C3CC(O1)C2S(=O)(=O)N3,0,GDB ChEMBL
228364,CC1CC(C[NH3+])C2(C(F)(F)F)CCCCCC12,0,GDB ChEMBL
68607,CC1CC=CC2C3C(=O)NC1C23,0,GDB ChEMBL
48145,CC(CO)OC(=O)N1C(C)C1C#N,1,GDB ChEMBL
183438,C#CCC1C2C1C1C(CC)CC2[NH+]1C,0,GDB ChEMBL
186020,CC(=O)C1C[NH+]=C(N)OC1,0,GDB ChEMBL
149394,CC(=O)NCC1C2CCC21,1,GDB ChEMBL
337179,C#CCc1cc2c(c(C[NH3+])c1F)CCN2,0,GDB ChEMBL
358475,O=C([O-])C1(O)C2C[NH2+]C1C(O)C2O,0,GDB ChEMBL
47357,CC1NC(=O)C(OCCNC(N)=[NH2+])OCC1=O,0,GDB ChEMBL
237970,NC(=[NH2+])C1C2C(=O)NCC(O)C(=O)N12,0,GDB ChEMBL
222783,N=C1COCc2cc(ncc2Cl)CCCCO1,1,GDB ChEMBL
24778,CCOC1CC2C[NH2+]CC1C(O)CN2,0,GDB ChEMBL
378236,CC(C)C(O)CCC1(C)C=CCC1[NH3+],0,GDB ChEMBL
385980,CC1CCC2CCCC(C)(C)CCCC2CC1,0,GDB ChEMBL
286876,CC(=O)NC1C([NH3+])C2OC(=O)NC12,0,GDB ChEMBL
26909,CC1CC(O)CC(C(N)C[NH3+])C(C#N)N1,0,GDB ChEMBL
252084,CCc1nc(C2CCOCC(=[NH2+])NC2)c(C)[nH]1,0,GDB ChEMBL
261325,CN1CCC([NH3+])C1CS(=O)(=O)NC(=N)N,0,GDB ChEMBL
398828,NCc1nc(NC(N)=[NH2+])ccc(=O)n1,0,GDB ChEMBL
50260,COC1(C)C([NH3+])(CCO)C1(CC#N)C(=O)[O-],0,GDB ChEMBL
240025,N#CC(O)(C(=O)[O-])C1NC(CO)C(O)CC1[NH3+],0,GDB ChEMBL
140375,CC1=CC(CC(N)=O)C(C)N=C(N)C1=NO,0,GDB ChEMBL
251033,CCc1ccc(Br)oc1=O,1,GDB ChEMBL
258296,CC1C2CC3CC3C1Cc1cc(F)ccc12,0,GDB ChEMBL
148830,CCCC(CC(CC)CC#N)C1CC1,0,GDB ChEMBL
130352,CC1CC2(C)CCC3CC2C1O3,0,GDB ChEMBL
22490,CC1CCC=CC2(C[NH2+]C2)C1,0,GDB ChEMBL
213978,CNC(N)=[NH+]C(C)CS(=O)(=O)NC,0,GDB ChEMBL
382619,CC12[NH2+]C(CN)CC1C1COCCC(O)C2C1,0,GDB ChEMBL
222159,CCCCOC1CC(C)(O)C(=O)C1(C)C[NH2+]C,0,GDB ChEMBL
290296,CC12C[NH2+]C(C(O)C(N)=O)C(O)C1O2,0,GDB ChEMBL
240018,CC[NH+](CC)CC1OCCC[NH+]=C1N,0,GDB ChEMBL
61264,CC(OC(=[NH2+])N(C)C)C1CC(N)C(=O)O1,0,GDB ChEMBL
191720,CC1C[NH+](C)C(CN)(CC(N)=[NH2+])C1,0,GDB ChEMBL
18943,CCCC(C)(C)c1cc2ccsc2c([O-])c1Br,0,GDB ChEMBL
189778,CCNc1ccnc(C(C)=O)n1,1,GDB ChEMBL
354080,COc1cc2c(C(N)=[NH2+])c(N)nc-2ccc1C,0,GDB ChEMBL
338512,CC1CC(C(C)O)C(C)C1=O,1,GDB ChEMBL
126968,CCC1(C(C)O)C(=O)CC2(CCC[NH2+]2)CC1=O,0,GDB ChEMBL
349634,CCC1C(NC(N)=[NH2+])C(=O)C1C(C)O,0,GDB ChEMBL
344302,CC#CC(CC)C(C)c1ccc(C)cc1,1,GDB ChEMBL
186623,CC[NH2+]CCC12CCC3C(C)CC(CC1O)[NH+]32,0,GDB ChEMBL
185320,C#CC1(CCOC)CCCC2(CC2)C1,1,GDB ChEMBL
357637,CC1NC(=O)C2(CO)NC(C#N)C12,0,GDB ChEMBL
47816,CC1C[NH2+]C2C1C2C1CCOC1,0,GDB ChEMBL
19632,O=CC12C=CCCCCC1CCC2=O,0,GDB ChEMBL
283993,CN1CC(C2CC(O)C3NC23)OC1=O,0,GDB ChEMBL
174244,C[NH2+]CC(=O)NCC(=O)N1CCC1,1,GDB ChEMBL
124572,CCc1cc(C)cc(I)n1,1,GDB ChEMBL
129601,CC1=CCC2CC3OCC(C3[NH3+])C2C1,0,GDB ChEMBL
169039,COc1cc[nH]c1OC(=N)CN1CCOCC1,0,GDB ChEMBL
35718,CCC1CCCC=C(C)C=C2CC(C)CC21,0,GDB ChEMBL
45974,CCC12CC1[NH+](C)C(CO)(CCC[NH3+])C2C,0,GDB ChEMBL
280864,CC(=O)N1CCCOC(CCC#N)CC1(C)C,1,GDB ChEMBL
19598,C[NH2+]C(CC1CN1C(N)=O)C(O)C(C)O,0,GDB ChEMBL
80199,C#CC(CC(C)(C)C)C(CCC)CCCO,0,GDB ChEMBL
325731,COC1OC2C(O)C(=O)N(C)C1C2O,0,GDB ChEMBL
27924,NC(=[NH2+])c1cnc(NC=O)ccc[nH]c1,0,GDB ChEMBL
251810,NC(=[NH2+])C(C(N)=O)C1C(O)C(O)CN1CC[NH3+],0,GDB ChEMBL
174689,C[NH2+]CCNCC1OC=NC1COC,0,GDB ChEMBL
356852,C#CCC1CC(C)=CCC([NH2+]C)C1C(C)C,0,GDB ChEMBL
184903,CCS(=O)(=O)NCCOC(N)=O,1,GDB ChEMBL
366728,CC(C[NH3+])C1(C)OC2C[NH2+]C(C2)CC1C,0,GDB ChEMBL
141711,C#CC(NC(=O)NCc1cc[nH]c1)C(O)C[NH3+],0,GDB ChEMBL
119826,[NH3+]CCc1cnn2c(=O)cc([O-])cnc12,0,GDB ChEMBL
172357,CCC1(O)CC2CC(O)C1C2C1CC[NH2+]C1C,0,GDB ChEMBL
310293,CC#CCCC(=O)N1CC(=O)C1,1,GDB ChEMBL
7395,CC(=N)OCC([NH3+])c1c(NC(C)=O)n[nH]c1C,0,GDB ChEMBL
39957,CC1=C(C#N)C(CC[NH3+])C(=O)N1,0,GDB ChEMBL
350261,N=C1NCCCC(=O)N1c1conc1C(N)=O,1,GDB ChEMBL
275481,CC1CN(C)C2C3(C(=O)[O-])[NH2+]CC1C23O,0,GDB ChEMBL
279976,CCC(C)C1COC1=O,1,GDB ChEMBL
150504,CC(CO)C1(CNC=O)CC([NH3+])CNC(=O)O1,0,GDB ChEMBL
197060,N#CCC(=O)NCC1NC2CNC(=O)OC12,0,GDB ChEMBL
82999,CC1=CC(C#N)(CCC([NH3+])CC[NH3+])OC1,0,GDB ChEMBL
316315,CC1CCCC2CC(C)([NH2+]1)C1CCCC2(O)C1,0,GDB ChEMBL
348673,CCOC(C)C1C[NH2+]CCNCCO1,0,GDB ChEMBL
74319,CCNc1cnc(O)n1CCS(C)(=O)=O,1,GDB ChEMBL
267342,CC(O)C(C[NH+]=CN)NC(N)=O,0,GDB ChEMBL
312549,CCOC1CC=C(C2(C)C3CCCC32)CC1,0,GDB ChEMBL
132489,N=C1NC(=O)C2NC(=O)C1NCC2O,0,GDB ChEMBL
271856,CC1OC2CC1CS(=O)(=O)NC2C([NH3+])CO,0,GDB ChEMBL
374205,CC#Cc1cc(C)c(Br)c(O)c1CC,1,GDB ChEMBL
227749,CC([NH3+])CCc1cc[nH]n1,1,GDB ChEMBL
239358,CCC(C)CCC(C)(C)CC1CC[NH+](C)CC1,0,GDB ChEMBL
175861,CCC1CC(OC)CC12CC1C(CO)C1C2,0,GDB ChEMBL
174925,O=C1CC2=CC(O)CC2N1,1,GDB ChEMBL
203471,C[NH2+]C1(C)CC2CC1CC2CCO,0,GDB ChEMBL
305605,NC(=O)CC1(C=O)C(=O)OCC1C(=O)[O-],0,GDB ChEMBL
163836,C#CCN=C1N2CCNC(=O)C2CCS1(=O)=O,0,GDB ChEMBL
146013,CC1(C#N)CCC(=O)C2CCCCC21O,0,GDB ChEMBL
216499,Cc1ccc(C(C)C)c2nc(C#N)cc(C)c12,1,GDB ChEMBL
266459,CC(=O)N1CCC(C)([NH3+])C1,0,GDB ChEMBL
217695,CCS(=O)(=O)CC([NH2+]C)C1(O)C=CCCC1,0,GDB ChEMBL
5880,C[NH2+]C1CC2(CCOC(=O)C(N)C2)C1,0,GDB ChEMBL
348445,CC1(C)CCOC(CO)C(COC(N)=O)[NH2+]C1,0,GDB ChEMBL
195258,CCCCC([NH3+])C1(C[NH3+])CC(CO)O1,0,GDB ChEMBL
129555,C#CC1(O)CCC2C(C(C)CCC)C21C,0,GDB ChEMBL
174676,C#CCC(CCC)n1c(C)ccc1C(C)(C)C,0,GDB ChEMBL
304023,C#CCOC1CC(O)(C(C)=O)C1,1,GDB ChEMBL
338298,CCN=C(CN(C)C(C)=O)NC(=[NH2+])C(C)C,0,GDB ChEMBL
122883,C=CCC(=O)N(C(=C)CC)C(C)C,1,GDB ChEMBL
334378,C[NH+]1CC2CC(C2)n2c1c(N)c(F)cc2=O,0,GDB ChEMBL
222547,CN=C1CC(C)CNC(=N)N(C=O)C(=O)CO1,1,GDB ChEMBL
132183,C=C(C(C)OS(N)(=O)=O)C([NH3+])C(N)=O,0,GDB ChEMBL
347935,N#CC1(O)C(O)C([NH3+])C(O)C1CC(=O)[O-],0,GDB ChEMBL
371717,CN(C)S(=O)(=O)OC(CO)CC[NH3+],0,GDB ChEMBL
221915,CC(=[NH2+])NCC(O)c1c(C)ncnc1OC=O,0,GDB ChEMBL
155119,CCC1C2CC(CC[NH3+])COC1C2O,0,GDB ChEMBL
352209,C[NH2+]CC1(C)CCC(C)COCC2(CC2)C1,0,GDB ChEMBL
332391,CC1CCCC2(C)CCCCC(C)(C)C12,0,GDB ChEMBL
334572,CNc1cc(N)c(NC)nc1C(C)=O,1,GDB ChEMBL
95595,CCC1CN(C(=N)S(N)(=O)=O)C(=O)O1,0,GDB ChEMBL
166404,CCC1Cc2ccc(Cl)c(C(N)=O)c2CC1=O,1,GDB ChEMBL
382069,CCOC1C2Cc3sncc3C1N(C)C2=O,0,GDB ChEMBL
244452,N=C(OCCCC(O)CC[NH3+])S(N)(=O)=O,0,GDB ChEMBL
284413,C[NH2+]CC1(O)C(O)C=CC1C(N)=O,0,GDB ChEMBL
214737,Nc1cccc(CC2=CC=CCCOC2)n1,0,GDB ChEMBL
203282,CN=C1OCCC([NH3+])C1C,0,GDB ChEMBL
50118,CCC(=O)C1=CCC[NH+](C)C12CCC2,0,GDB ChEMBL
146047,COC1OC=NC1CC(=O)[O-],0,GDB ChEMBL
271598,C#CCOC1C[NH+]=C(N)CC1(C)C,0,GDB ChEMBL
338897,C[NH2+]C1C(C[NH3+])C1C(C)([NH3+])C(CO)C(=O)[O-],0,GDB ChEMBL
119837,NC(=[NH2+])C(=N[O-])C(=O)NC1COC1,0,GDB ChEMBL
143148,CC1[NH2+]CC(O)C1OC(=O)C(N)C[NH3+],0,GDB ChEMBL
116093,CC1[NH2+]CC(CO)CC1(CC=O)NC(N)=[NH2+],0,GDB ChEMBL
23438,C[NH2+]C1C2CCC(OC)C1(C)C(C)(C)C2C#N,0,GDB ChEMBL
175868,CCc1cccc(C2CCC(C3CC3)C2)c1,1,GDB ChEMBL
76429,CCC1=C(CO)C(=O)CC1CC,0,GDB ChEMBL
343256,CC=C1CCCCC(C)C(C)CC1,0,GDB ChEMBL
320451,CCC1CC2(OC)CC(C)C(C2)C1OC,0,GDB ChEMBL
285716,CC1CC23CC2(C1)C(C)CCCCCC3C,0,GDB ChEMBL
203854,C[NH2+]CC(C(C)C[NH2+]CCN)C(CO)OC=[NH2+],0,GDB ChEMBL
181587,CN1C(=O)C2([NH3+])CC(C[NH3+])C1C2(C)CCCO,0,GDB ChEMBL
105108,CCNC=Nc1nc(C(=O)NC)ccc(=O)n1,0,GDB ChEMBL
215275,CC1CCCC2(C)CCCC(C2)O1,0,GDB ChEMBL
149437,CC(C#N)c1ccc(NC(CO)C(N)=O)cn1,1,GDB ChEMBL
274630,N#CC1C(C[NH3+])NC(=O)OC(C[NH3+])C(O)C1N,0,GDB ChEMBL
290171,CC1CC2(N)C([NH2+]1)C2OCC(N)=O,0,GDB ChEMBL
45965,CN(C)C(=O)C1CN=C(N)NC(=O)CO1,1,GDB ChEMBL
352189,C#CCC(C)[NH+]1CC(C)(C)CC1C(N)C(C)C,0,GDB ChEMBL
277106,N#C[C-](C#N)N=COCC(NCC[NH3+])C(N)=O,0,GDB ChEMBL
371744,CC1C2CCc3ccccc3CC12C,1,GDB ChEMBL
277969,CCCC1C=CC2C(C)C(C)CC12C,0,GDB ChEMBL
307490,CC(C)NS(=O)(=O)C[C-](C#N)C#N,0,GDB ChEMBL
341893,[NH3+]C1C2CC3CCC[NH2+]C3C12,0,GDB ChEMBL
4784,CCC(CCO)C1C[NH2+]C2C(N)C(=O)OC12,0,GDB ChEMBL
362226,C#CCC(CN)[NH2+]CCC,0,GDB ChEMBL
285543,C#CCC1CCC(C(C)(C)CC(C)C)C1CC,0,GDB ChEMBL
71416,C[NH2+]CC1C(O)C2CC2N1S(C)(=O)=O,0,GDB ChEMBL
281671,C=CC1CC2CCOC(C1)C2[NH2+]C,0,GDB ChEMBL
182474,CCC1C[NH2+]C2C(C1)C2C(=O)[O-],0,GDB ChEMBL
391445,CC1(C[NH+]=C(N)N)NC(=N)N(CCC[NH3+])C1=O,0,GDB ChEMBL
239380,C#CCC(C#N)(CNS(C)(=O)=O)NC,1,GDB ChEMBL
169034,CC1(O)CC(O)C2(C(N)=O)C([NH3+])C12,0,GDB ChEMBL
201497,NC(=[NH2+])C1CC2(C[NH3+])CCOC(C2)C1O,0,GDB ChEMBL
57310,[NH3+]C1CC1C(O)C(O)CC(=O)[O-],0,GDB ChEMBL
7783,COC(=O)C1(OC)C(N)C1[NH3+],0,GDB ChEMBL
101013,N#CCCNc1cc(C=O)cc(N)c1F,1,GDB ChEMBL
227316,CCC(=O)NC1=CCC(=O)OC1,0,GDB ChEMBL
284678,COC1(C2CC2)C2C=CC1C(C)C2C,1,GDB ChEMBL
203575,CCC1=CC(=O)NC2CC1(O)C2,0,GDB ChEMBL
25263,CCC(C#N)(C(=O)[O-])C1NCC1S(N)(=O)=O,0,GDB ChEMBL
34324,Cc1cc(CC(=O)NC=O)n[nH]1,1,GDB ChEMBL
275657,CCC(C)CCCOc1cc(Br)cc(C)c1C,1,GDB ChEMBL
359100,CC(C)C1=Cc2ccccc2C1,1,GDB ChEMBL
132208,CCC12CC[NH2+]C(C1)C(C)C(C)(OC)C2,0,GDB ChEMBL
354603,CCC(C(=O)[O-])C12OC(=N)NC1C2O,0,GDB ChEMBL
222869,CC1CC[NH2+]CC[NH2+]CC(CO)(CCC=O)C1,0,GDB ChEMBL
222548,C#CC1Cc2cc(Br)cc(C)c2C1CC,0,GDB ChEMBL
104447,CCC(C)(C)N1CCCC(C)c2ccccc21,1,GDB ChEMBL
225380,CN(C)C(=O)N1CC(=O)NCC(=O)NC1=N,1,GDB ChEMBL
87022,CC1CC(O)C(C(C#N)CO)C1C#N,0,GDB ChEMBL
115155,CCCC1C2CCCCOC12,0,GDB ChEMBL
39735,N#CC1C(=O)C2CC[NH2+]CC(C(N)=O)C2C1O,0,GDB ChEMBL
241116,CC=C(CCOCCC)C(=O)CC,1,GDB ChEMBL
353544,CC1CC([NH3+])C2OC2C(=O)N1,0,GDB ChEMBL
322008,[NH3+]C1CC2OC(CCO)(C1)CC2O,0,GDB ChEMBL
184893,C[NH+]1CCc2c(ccc(I)c2I)C1,0,GDB ChEMBL
243351,CCCc1ccc2c(C)c(Br)cc(CC)c2n1,1,GDB ChEMBL
41320,CNC(=O)NCC1NCC1(C[NH3+])OC,0,GDB ChEMBL
262260,CC([NH3+])C1CC=C(CC(=O)[O-])C1,0,GDB ChEMBL
127241,COCC(C)(CC(C)(C)O)C1CCCCC1O,0,GDB ChEMBL
136453,CCC1C=C(C)CCCC1C,0,GDB ChEMBL
258756,CCCC1C2CCC(C)(CC)C1C(C)CC2C,0,GDB ChEMBL
245483,C#Cc1cc(CC2(C)CCC2)cc(C)c1Cl,1,GDB ChEMBL
115391,Cn1cc(CC2CO2)nc1C(N)=O,1,GDB ChEMBL
362000,CC12CC(C1)c1c(I)cccc1C2O,1,GDB ChEMBL
185969,CC1OCCNC(N)=[NH+]C1C(N)=[NH2+],0,GDB ChEMBL
372677,CCC(O)C(O)C[NH+]=C(N)C(C)C[NH3+],0,GDB ChEMBL
156724,NC(=O)OCC1CCS(=O)(=O)N1,1,GDB ChEMBL
294203,CCn1nc(NC(=O)C([NH3+])CO)c(C)nc1=N,0,GDB ChEMBL
820,Oc1ccncc1C1CO1,1,GDB ChEMBL
64117,CCC1CC2CC[NH2+]C3CC([NH3+])CC123,0,GDB ChEMBL
334130,CCC1CC[NH+](C)CC([NH3+])C(C)C(C)(OC)O1,0,GDB ChEMBL
372206,N#CC(CCC(N)=O)C(O)S(N)(=O)=O,0,GDB ChEMBL
191336,C#CC1c2c(F)ccc(F)c2C(C)C1C(C)C,0,GDB ChEMBL
274634,CC[NH2+]CC1(C)COCC2CC1C(C)CC2[NH3+],0,GDB ChEMBL
249826,CNC1=[NH+]CC(O)(CO)C(C(N)C(N)=O)C1O,0,GDB ChEMBL
53055,CCC(C)CCC1CCCC(C)(C)CC(C)C1,0,GDB ChEMBL
870,CN(CC(=O)C(F)(F)F)C(N)=O,1,GDB ChEMBL
240774,CCOC(=O)N1CC1C(C)(O)CO,1,GDB ChEMBL
305128,NC1=[NH+]CCC2C(N1)C(=O)[N-]S2(=O)=O,0,GDB ChEMBL
202489,C[NH+](C)C1(CCC[NH3+])CC=CC1,0,GDB ChEMBL
149425,CC([NH3+])(C(=O)[O-])C1CC(O)C(O)CC1[NH3+],0,GDB ChEMBL
305502,Cc1cc(C2(CO)CS(=O)(=O)C2)sc1C(N)=[NH2+],0,GDB ChEMBL
156776,CC1CCC(CC(C)(C)C)C(=O)C1,1,GDB ChEMBL
247550,CCC1CCC2CC(C1)C1CC=CC[NH+]1C2,0,GDB ChEMBL
250649,CCCCC1CC2[NH2+]CCC2C1(C)O,0,GDB ChEMBL
207269,CCCc1c(CO)c(CO)c(C)cc(=[NH2+])c1N,0,GDB ChEMBL
248663,C[NH2+]CCN(C=O)CCOCC1CCC1[NH3+],0,GDB ChEMBL
278877,CCCCC1CC=CC=C2CCCCC1C2,0,GDB ChEMBL
389413,CC(CCO)C1(C(N)=O)NC(=O)OC1C(=O)[O-],0,GDB ChEMBL
20092,Cc1ncn2c1C(C[NH3+])CC2=O,0,GDB ChEMBL
151237,CCCC1CC2CC=CCC=C(C2)C(C)C1,0,GDB ChEMBL
38520,C#CC1(C)CC2CC1c1cc(Cl)ccc1C2C,0,GDB ChEMBL
372481,CCC1CCC(O)C2(CO)C=CC1CCC2,0,GDB ChEMBL
320327,OC1CC(O)C2CCCCC12,1,GDB ChEMBL
36003,CCOC1OC(=N)CCCCN2CC1OC2=O,1,GDB ChEMBL
346988,CCOc1c(C)c(C2C[NH2+]C2)n(CC)c1N,0,GDB ChEMBL
189794,CCC(C)(C)OCc1c(C)ccc(N)cc1=O,1,GDB ChEMBL
297259,C[NH2+]CCC1CC(C(C)OC)O1,0,GDB ChEMBL
115251,C#Cc1cc(N(C)C)cc2cnc(C)c(C)c12,1,GDB ChEMBL
366578,N#CC(OS(N)(=O)=O)C(CO)C(N)=O,1,GDB ChEMBL
374342,CCC1C2(CCCCC2)CCCC(C)C1(C)C,0,GDB ChEMBL
255377,CC(CC[NH3+])C(C)C1NC(C#N)CC1O,0,GDB ChEMBL
313342,CCC1CC=CC2C=C(C)CC2C[NH2+]1,0,GDB ChEMBL
3997,CCCC1=C(CC2CC2)C[NH2+]C1,0,GDB ChEMBL
25186,CC1CN1C(=[NH2+])CCCO,0,GDB ChEMBL
284759,CC1CC([NH3+])C2OC(=O)CC([NH3+])CC12C#N,0,GDB ChEMBL
330911,NC(=O)C1C([NH3+])CC2NCC1C2[NH3+],0,GDB ChEMBL
389588,CNCC1CC(C(C)C)[NH2+]1,1,GDB ChEMBL
227613,CCCC1(O)CCC[NH+](C)C1,0,GDB ChEMBL
367636,C[NH+]1CCCC2C1C2(C)CCCCCCO,0,GDB ChEMBL
227601,C#CC1=CCCOC1(C[NH+](C)C)C(C)[NH3+],0,GDB ChEMBL
9724,COC1C(C(=O)NC(=N)N)C(N)C1(O)C[NH3+],0,GDB ChEMBL
318001,NC(=O)COC(=O)CNC(=[NH2+])Cn1ccnc1,0,GDB ChEMBL
259600,CCC(=N)N1CC(C(C)C#N)=CC1=O,1,GDB ChEMBL
108745,CC[NH2+]C1C(O)C(C)C([NH3+])C1CS(N)(=O)=O,0,GDB ChEMBL
354012,CC#CC(C)(C(C)C)C1CCCCC1,1,GDB ChEMBL
17306,CC1(NS(C)(=O)=O)C(=O)NCC1C[NH3+],0,GDB ChEMBL
285131,N#Cc1sc(C(N)=O)c2c(Br)cccc12,1,GDB ChEMBL
343961,CC(O)C(CNCC#N)c1cnc(N)nc1,1,GDB ChEMBL
66642,CC(O)C(O)C(CO)(C(=O)[O-])C1CO1,0,GDB ChEMBL
38930,CC1OC(CNC(N)=O)C([NH3+])C1O,0,GDB ChEMBL
186554,CC(O)C1C2C([NH3+])CNC(=O)C12N,0,GDB ChEMBL
116042,CNC(=[NH2+])NC1CC=CC1(CO)NS(C)(=O)=O,0,GDB ChEMBL
99577,C#CC(O)C(C)(C)Nc1ccc(CC[NH2+]C)s1,0,GDB ChEMBL
248871,CC1CC(C(=O)[O-])=C(C#N)CO1,0,GDB ChEMBL
51010,CCC(C)C12CCCC(C)(CCC1)C2,1,GDB ChEMBL
274356,CC(=O)C(=NC(CO)C1CC1)[N-]S(C)(=O)=O,0,GDB ChEMBL
47539,CN(CC[NH2+]CCO)C(=[NH2+])C1(O)CC1,0,GDB ChEMBL
395927,C#CC1CC(=O)C=C(CC)CC(C)(C)C1,0,GDB ChEMBL
213977,CC1=CCC(c2ccc(I)cc2)C2CC12,1,GDB ChEMBL
308709,CS(=O)(=O)N(C=O)C(C[NH3+])CCCOC=O,0,GDB ChEMBL
57273,Cc1oc2cc(Br)c(Br)cc2c1C1CC1,1,GDB ChEMBL
33855,CCC#CCCC1CCC2C(C#N)C2C[NH2+]1,0,GDB ChEMBL
180978,CCCC(=O)Nc1c(NC)nsc1[O-],0,GDB ChEMBL
283263,COC1COCC([NH3+])CC1[NH3+],0,GDB ChEMBL
301450,CCNC(=O)N1C(=O)CC1C([NH3+])(CC)CC,0,GDB ChEMBL
338620,CCCC(NC(C)=O)(C(=O)[O-])C(=O)OC,0,GDB ChEMBL
340003,CCc1nnc(NCCS(N)(=O)=O)c(N)n1,1,GDB ChEMBL
285778,COC(=O)CC(CCO)C1([NH3+])CCC(O)C1,0,GDB ChEMBL
225850,NC(=[NH2+])NC1C(N)C1(N)C(=O)OCC[NH3+],0,GDB ChEMBL
372694,CC1C(=O)NC2(C(N)=O)C1CC(C)(O)C2[NH3+],0,GDB ChEMBL
59222,CC(C)C1CCCCC[NH+](C)C(C)CCC1C,0,GDB ChEMBL
389029,CC(C)CC1(C)OCC(N)C([NH2+]CCO)C1O,0,GDB ChEMBL
29626,COCC1[NH2+]CCC1C1CC1[NH3+],0,GDB ChEMBL
302319,O=C1NCCOCCC12CC(O)C2,1,GDB ChEMBL
282187,CCC1(C)C[NH+](C)C(C)CC(C)C1NCC#N,0,GDB ChEMBL
29977,C#CCC(C(C)(O)CC)C1([NH3+])CC1C[NH2+]C,0,GDB ChEMBL
225438,CN1CCn2nccc2CC1=[NH2+],0,GDB ChEMBL
17596,C=CC1CC2OCC[NH+]1CC1CC12,0,GDB ChEMBL
34769,Cc1ncc2c(c1[O-])C(=O)[N-]S2(=O)=O,0,GDB ChEMBL
104921,C#CC(C)N(C)Cc1nn(C(C)=O)cc1CO,0,GDB ChEMBL
165263,C#CC1CC=CCN1C(N)=O,1,GDB ChEMBL
332652,CC1C(=O)OC2C(C[NH3+])NCC([NH3+])C2N1C,0,GDB ChEMBL
117426,CCC([NH3+])C1N(CC[NH2+]C)CC2NC21C,0,GDB ChEMBL
240800,COCC(CC1(O)CC1CO)C(=O)[O-],0,GDB ChEMBL
149311,CC(O)C12CCNC(=O)CC1O2,0,GDB ChEMBL
225388,CC1CC(C#CCC2COC2)=CC(=O)N1,0,GDB ChEMBL
337397,Cc1cn2c(CO)cc(C)c2cc1Cl,1,GDB ChEMBL
28172,CCC(C[NH3+])N1CC(CO)C[NH2+]C(C)C1(C)C,0,GDB ChEMBL
334577,CC1CCOCC2OCC(O)COC2COC1,0,GDB ChEMBL
41100,CCC1C(=O)OC2CC(O)C1(C)C2,0,GDB ChEMBL
99423,CCCCC1CC(=O)C(C)C1=O,1,GDB ChEMBL
24018,N#CCCC1(OCCOC(N)=O)CC[NH+]=C1N,0,GDB ChEMBL
85067,N#CC(O)C1CC(=O)C(CO)N1,1,GDB ChEMBL
75804,C#CC1CCCC(C(N)=O)NC(=O)NC1,0,GDB ChEMBL
16726,CC(C)C(C)C(C)(C)C[NH+](C)C,0,GDB ChEMBL
81068,C[NH2+]C1CC2NC2C(C)NC1=O,0,GDB ChEMBL
38168,C#CC1=CC(CCCC)CCC1,1,GDB ChEMBL
17299,CC[NH2+]C1CC(C)CC1=NO,0,GDB ChEMBL
132260,CS(=O)(=O)[N-]C(=O)C1C(O)C(O)C2NC21,0,GDB ChEMBL
231113,CCC(C)(CC)C1C([NH3+])CCCC1(CC)[NH2+]C,0,GDB ChEMBL
4830,Cc1c(O)cc(C2(C)CCC[NH2+]C2)c(Cl)c1C,0,GDB ChEMBL
127913,CCC12CCCCC(C)C(C1)C1CCCC12,0,GDB ChEMBL
292939,CC1=C(C(CO)CCS(N)(=O)=O)CNC1=O,0,GDB ChEMBL
148831,CC(C)(C)OC(=N)CCO,1,GDB ChEMBL
234512,CC1C([NH3+])C(O)C(O)(CCO)C1[NH+](C)C,0,GDB ChEMBL
376961,NC(=O)C1(C(N)=O)NC(=O)N2CC21,0,GDB ChEMBL
20129,CCC1C2[NH+]=C(NCC(=O)NC2C)N1CC#N,0,GDB ChEMBL
216211,CC(O)C([NH3+])CC1CC2CCC1([NH3+])C[NH2+]2,0,GDB ChEMBL
305973,[NH3+]CC1CC1[NH2+]CC1OC(=O)CC1O,0,GDB ChEMBL
330536,CCCCCC1C2CCC1C(C)C2C,0,GDB ChEMBL
161926,CC1(N)CC(C[NH3+])C(C(=O)[O-])NS1(=O)=O,0,GDB ChEMBL
316471,O=C1C2NC2C(O)C1N1CCNC1=O,0,GDB ChEMBL
23568,COC1C(C(=O)[N-]S(C)(=O)=O)C1[NH+](C)C,0,GDB ChEMBL
383758,CC1OC(CC(=O)[O-])C1=O,1,GDB ChEMBL
228391,CC(=N)N(CC[NH3+])C(=O)C#CC1(N)COC1,0,GDB ChEMBL
259364,[NH3+]CC1CC2CC(C3CCCO3)OC2CN1,0,GDB ChEMBL
245494,CCCCC1C2C=CC(C)C1C=C2C,0,GDB ChEMBL
93783,O=C1C=CS(=O)(=O)CCC(C2C[NH2+]C2)N1,0,GDB ChEMBL
362563,CCOC1CC2(CN)[NH2+]C1C(CC)C2(C)OC,0,GDB ChEMBL
309633,N=CN(C=O)C(CO)C(N)=O,0,GDB ChEMBL
59231,CCCc1c(C2C(C)CCCC2C)ccn1C,1,GDB ChEMBL
325718,C[NH2+]CC12CC(Cc3cncn3CCN1)C2,0,GDB ChEMBL
259709,C[NH2+]CCC(=O)C(O)(CC(=O)[O-])C(C)O,0,GDB ChEMBL
50350,CC1=CC2CCC(C1)CC(C)CC2O,0,GDB ChEMBL
317601,CCC1(C)NC(=O)C(C)C1C=O,0,GDB ChEMBL
131883,CC[NH2+]C(C)C1CCCO1,0,GDB ChEMBL
207009,CC(CO)CC([NH3+])CC([NH3+])C1(C(=O)[O-])CN1,0,GDB ChEMBL
252093,CC1CCCCC=CC=C1C(C)(C)C,0,GDB ChEMBL
20118,CCOC12CC1C(O)CCC2NC(N)=O,0,GDB ChEMBL
860,CC1NCC(=O)NC1C(O)C1(C)CO1,0,GDB ChEMBL
398951,CC(CC12[NH2+]CC(O)C1C2N)C(=O)[O-],0,GDB ChEMBL
386481,CCCC1C2CCC1C1(C)CCOC(CC)C21,0,GDB ChEMBL
47731,O=C([O-])CC12COC3CN1C32,0,GDB ChEMBL
10594,C[NH2+]CC(C)CN(C=O)C(C)C(O)CO,0,GDB ChEMBL
355147,C=CC[NH2+]CC(C)C(C=C)C(C)C,0,GDB ChEMBL
176432,CCC(C#N)c1c[nH]c(C(F)(F)F)c1,1,GDB ChEMBL
389612,CCCCC1C(C)(C)C1(C)C(F)(F)F,1,GDB ChEMBL
73279,OCC12Cc3[nH]ncc3CCC[NH+](C1)C2,0,GDB ChEMBL
279236,CC1CN=C2NC(=N)N(C)C(=O)N21,1,GDB ChEMBL
4767,N=c1[n-]nc(NC2CCCC2O)s1,0,GDB ChEMBL
195511,CC(C(=O)[O-])C(O)C1(C)OC1CCC(N)=O,0,GDB ChEMBL
388227,CCCN1C(=N)C(C)Oc2c1ncc(Cl)c2N,1,GDB ChEMBL
281154,NC(=O)C1CC1C1CNC(=O)O1,1,GDB ChEMBL
343925,CCCN(C=O)CC(OC)C(=N)NC(C)=[NH2+],0,GDB ChEMBL
254954,Cc1nc(-c2cccc(Br)n2)n(CC[NH3+])n1,0,GDB ChEMBL
349992,CCCN1C(=O)CC(CO)(CC(N)=[NH2+])C1C,0,GDB ChEMBL
181695,CCC(CC)(C[NH3+])C(C)(C)CN1CCCC1=O,0,GDB ChEMBL
204447,O=S1(=O)NCC2C(C3[NH2+]CCC3O)C21,0,GDB ChEMBL
202022,CCC1(C)NC(=O)CC1(C)C,1,GDB ChEMBL
238138,CN1CCC2(C)CC(C1=O)C1CC2C1[NH3+],0,GDB ChEMBL
346970,CCOC(=N)N(CC=O)CCO,1,GDB ChEMBL
348848,C[NH+]1CCC=C2CC1CCOCC2[NH3+],0,GDB ChEMBL
82149,COC(CN(C)C(N)=[NH2+])C1CC1,0,GDB ChEMBL
283459,CCC(=O)C(O)CCn1nccn1,1,GDB ChEMBL
315225,O=c1[nH]cccc1C(O)CCN1CC1,1,GDB ChEMBL
126384,C#CC(C#C)C(C#C)C(CC)C(C)CCCC,0,GDB ChEMBL
50341,CCCCC1(C)CCCC(CCC)C(O)C1C,0,GDB ChEMBL
372073,COc1ncnc2c1CC(=O)C=CC2,1,GDB ChEMBL
317324,CCC1(C)C(C)CCC2CCC1C(C)O2,0,GDB ChEMBL
157070,CCCC(C)C(c1cc[nH]n1)C([NH3+])CCC,0,GDB ChEMBL
127194,N=CN1C(=O)C(O)C(NCC[NH3+])C1=O,0,GDB ChEMBL
374320,CCC(C)([NH3+])CCC([NH2+]C)C1CCOC(C)C1,0,GDB ChEMBL
24235,Cc1nc(C(C)C2CC2C=O)cs1,1,GDB ChEMBL
283401,CC1(C[NH2+]CC2CC2)CCCOC1,0,GDB ChEMBL
130615,C#CC(C#C)c1cc(C)ccc1F,1,GDB ChEMBL
38215,Cc1nc2cc3c(c(O)c2[nH]1)OCC(=O)OC3,1,GDB ChEMBL
38925,NS(=O)(=O)OC1C(=O)C2CC1OC2=O,1,GDB ChEMBL
93082,OCC1OC2C3COC2C([NH2+]3)C1O,0,GDB ChEMBL
297035,CC1CC2CCC1CC2[NH+]1CC1,0,GDB ChEMBL
300709,CCCC1CCC=CCCC([NH3+])C1,0,GDB ChEMBL
93431,C[NH+]1CCOCCCC2(C)CCC1C2,0,GDB ChEMBL
278108,Cc1cc([O-])c(C2(C)CN2)c(O)n1,0,GDB ChEMBL
228442,C#CCCC(=O)NCC=O,1,GDB ChEMBL
231123,CC1=C(C)CC(C)(CCCC2CC2)C1,1,GDB ChEMBL
287035,CS(=O)(=O)[N-]c1nsnc1C(C[NH3+])CCO,0,GDB ChEMBL
282182,CN1C(=O)CC[NH+]2CCCCOC(=N)C1(C)C2,0,GDB ChEMBL
306003,CN(CC(F)(F)F)C(N)=[NH2+],0,GDB ChEMBL
244303,[NH3+]C1CNC(=O)n2nc(O)cc2C1,0,GDB ChEMBL
300445,CC1=CC2(CCC1=O)CC2,1,GDB ChEMBL
16788,CC1(O)CC2OC(=O)C(CO)C2C1,0,GDB ChEMBL
157442,COC(CC#N)C[NH+]=C(N)NC(C)(C)C,0,GDB ChEMBL
136456,CC(N)(CNCC(N)=O)C([NH3+])CO,0,GDB ChEMBL
140758,CCC1C2CC(C)(CC)CC(O2)C1C,0,GDB ChEMBL
363121,CCN1CC2N(C)C2(CC)C(CC[NH3+])C1=O,0,GDB ChEMBL
189840,C[NH+](C)C1(CC(CO)CC#N)CC1C=O,0,GDB ChEMBL
315250,C#CCC1OCC(O)C(C#N)(CC[NH2+]C)C1C,0,GDB ChEMBL
102290,C[NH2+]CC(COC(C)(C)C)CC(C)([NH3+])CO,0,GDB ChEMBL
23934,CCc1c(C2CCCCO2)ccn1CC[NH2+]C,0,GDB ChEMBL
318052,C[NH2+]C1C2NC(=O)C=CC21O,0,GDB ChEMBL
202511,Cc1ccc2cc(Cl)c(C[NH3+])c(Cl)c2c1C,0,GDB ChEMBL
352624,C#Cc1cccc(CC[NH2+]C(C)C(C)CC)c1,0,GDB ChEMBL
159747,CC1C(CO)OCC1C1([NH+](C)C)CC1,0,GDB ChEMBL
203536,N#CC(C#N)C1(C[NH3+])CCC1,0,GDB ChEMBL
286850,[NH3+]C1CC2NC(=O)C3CCC1C23,0,GDB ChEMBL
203195,C#CC(CCC)CC(C)(OC(C)C)C1CC1,0,GDB ChEMBL
157738,CCC1[NH2+]C2C(C)C(O)C1C(C)(C)C2N,0,GDB ChEMBL
319206,N#CC1[N-]C(=O)C2NS(=O)(=O)C3C2C3C1O,0,GDB ChEMBL
9887,CCCCC1CCCc2c(I)cccc21,1,GDB ChEMBL
98834,COC(=O)C(N)c1nc(N)c(N)c(O)n1,0,GDB ChEMBL
304481,COCC(C[NH3+])C1C(NC=O)C1([NH3+])CO,0,GDB ChEMBL
75867,CCC[NH2+]C1C2C=CCC1OCO2,0,GDB ChEMBL
264950,NC(=O)COC1OCC(O)(CCO)C1O,1,GDB ChEMBL
218808,CCCC1C(CC)CC2=CC(C[NH3+])C(C)C21,0,GDB ChEMBL
13168,CCCN1CC(=O)C2(CCCC(C)(C)O2)C1,0,GDB ChEMBL
221378,CC(O)C1NC(C[NH3+])(C(=O)[O-])C(O)C1C(N)=O,0,GDB ChEMBL
372092,CC1CC2=Cc3ccc(F)cc3CC2C1C,0,GDB ChEMBL
274940,CC1NCC(=O)C2CC2(CC(N)=O)C1C,0,GDB ChEMBL
17595,[NH3+]C1CC(C(=O)[O-])NS(=O)(=O)C2OC2C1O,0,GDB ChEMBL
210956,C#CC(CO)Cc1cc(C(N)=O)c(Cl)nc1C,0,GDB ChEMBL
214917,CN(Cc1[nH]nc(N)c1[O-])C(N)=O,0,GDB ChEMBL
277880,CC[NH2+]CCc1cc(CCC[NH3+])c(C)c(Br)n1,0,GDB ChEMBL
113585,CC1(C)CCC=CC1c1cc(Cl)ccn1,0,GDB ChEMBL
180787,C[NH+]=C(N)C(O)C(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
147569,C#CCn1c(OCC)cnc1CC,1,GDB ChEMBL
339042,CCC(=O)c1sc(CC)cc1C(C)(C)C,1,GDB ChEMBL
398750,CNc1cnc(NC(N)=O)nc1N,1,GDB ChEMBL
117400,CCC(=O)OC1CCC1O,1,GDB ChEMBL
244640,C[NH2+]C1C(=O)NC(C(N)=O)C(O)C1O,0,GDB ChEMBL
32027,CC(=[NH2+])N1CC(CCC2=CC(=O)NC2)C1,0,GDB ChEMBL
75442,O=C1NCC2OC1CC1CCC=CC(O)C12,0,GDB ChEMBL
275560,Cc1ccc(F)c(CO)c1O,1,GDB ChEMBL
23582,CCC1CC23CCC(O)C1C2C3,0,GDB ChEMBL
227260,C#CCCc1cc(C#C)ccc1C#C,1,GDB ChEMBL
246766,CC1C(O)C2(C)NC(=O)CN1C2CS(N)(=O)=O,0,GDB ChEMBL
26917,CCc1c(I)cc(NC)c(C)c1CC,1,GDB ChEMBL
235961,CCOC12CC(OC)C([NH3+])C1(CC[NH3+])C2,0,GDB ChEMBL
239987,CCOC(C)C(C=O)C1=CNC(=O)C1,0,GDB ChEMBL
215488,C[NH2+]CC1(N2CC3[NH2+]CC3C2=O)CC1,0,GDB ChEMBL
384804,C[NH2+]C1(C)C2c3cc(C)nc(N)c3CC21N,0,GDB ChEMBL
163393,CCC(C)(C(N)=O)C(O)C1CO1,1,GDB ChEMBL
210734,COc1cc(C)c2c(n1)CC1([NH3+])CC1N2C,0,GDB ChEMBL
311650,C#CCC1C(=O)CCC1O,1,GDB ChEMBL
181017,C#CCC12CC1(C)C(C(=O)[O-])CC2C,0,GDB ChEMBL
325743,N#CCNCc1conc1C(=O)C(=O)[O-],0,GDB ChEMBL
18935,CCN(CC(C)CNC(N)=O)C(C)=[NH2+],0,GDB ChEMBL
304842,C#CC1=Cc2c(F)cccc2CC1,1,GDB ChEMBL
307551,CN1CCNC(=O)C(O)C(=O)C1=N,0,GDB ChEMBL
168412,CC1CC(O)C2(CNS(=O)(=O)C2C(C)[NH3+])C1,0,GDB ChEMBL
53054,CCCN(C)c1c(C)c(CO)cc(CC)c1Cl,1,GDB ChEMBL
132311,CC(=O)CC12C=C(C)CCC(C[NH+]1C)C2,0,GDB ChEMBL
23487,CC1CC2(C)CCOC(C)C(C[NH2+]1)C2C,0,GDB ChEMBL
277417,CC1CC2CCC1C(C)CC(CO)C(O)C2,0,GDB ChEMBL
302475,CN=C(NC(N)=O)C1C2CC2CN1C,1,GDB ChEMBL
25109,Cc1noc(NC(=O)CC#N)c1S(C)(=O)=O,1,GDB ChEMBL
118172,CC1C(O)CN=C(N)N1C=O,0,GDB ChEMBL
277402,CCC(O)C1(CO)[NH2+]CC2C(CO)[NH2+]CC21,0,GDB ChEMBL
173975,CCCC(=O)C(C)C1(O)CCCC(C)CC1,1,GDB ChEMBL
195568,CCC1=[NH+]CC(C)(O)CCN1,0,GDB ChEMBL
263412,Cc1c(C2(C)CC2)ccc(C(C)C)c1F,1,GDB ChEMBL
197471,Clc1ccccc1C1CC=CC=CC[NH2+]1,0,GDB ChEMBL
380322,CCC(CC)CC1C[NH2+]CCC2C[NH+]1C2C,0,GDB ChEMBL
362386,CN1C(C(=O)[O-])C1C([NH3+])C(N)=O,0,GDB ChEMBL
136107,N=CN1CCC(O)C2CC2C([NH3+])C1=O,0,GDB ChEMBL
122824,CC1C(C(N)=[NH2+])C(O)(C(O)CCO)CN1C=O,0,GDB ChEMBL
281636,CS(=O)(=O)NC1C(O)C([NH3+])C(O)C1C#N,0,GDB ChEMBL
33553,COC(C#N)(C1C[NH2+]C1)C(C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
206951,CCc1ccnc(F)c1CC(=O)C=O,1,GDB ChEMBL
214919,COCCc1c(O)cnn2c(C)c(O)nc12,0,GDB ChEMBL
261235,CCCC1CCOC23CCCC2(C)C3(C)C1,0,GDB ChEMBL
122987,C[NH2+]C1CCS(=O)(=O)CC1,0,GDB ChEMBL
247160,CCC(C)C1NC(C)C(=O)C([NH+]=CNC)C1O,0,GDB ChEMBL
210697,CC1COC(=O)NCC2[NH2+]CC2N1,0,GDB ChEMBL
34801,CCCCC(Cc1ccccc1)C(C)C,1,GDB ChEMBL
227521,CCC[NH2+]CCCCC1CC1,0,GDB ChEMBL
13766,CC12C(O)C(CC([NH3+])C1C(=O)[O-])C1CC12,0,GDB ChEMBL
44611,COC(=O)CCC(C)(C)O,1,GDB ChEMBL
227897,NC1C([NH3+])CC(O)C(=O)NCC([NH3+])C1O,0,GDB ChEMBL
395912,COC1Cc2nc(S(N)(=O)=O)sc2C1,0,GDB ChEMBL
227256,C#CC(CC)CC(C)(CCC#N)OC,0,GDB ChEMBL
141794,C#CC1C(C)C[NH+](C)C(C)C1C(=O)[O-],0,GDB ChEMBL
127750,CCC1(CC)CC(C)(O)CCC1C(C)C,1,GDB ChEMBL
25266,C=C(C)C1(C)CCC2CC1C(C)O2,0,GDB ChEMBL
203813,CC([NH3+])CCN1C(C#N)C1C(N)=O,0,GDB ChEMBL
151196,CCC1CN(C)C(c2cc(N)c(=O)oc2C)=[NH+]1,0,GDB ChEMBL
172750,CC1NC(C(CC(=O)[O-])NC(N)=[NH2+])C1=O,0,GDB ChEMBL
58490,CC(C)C1NC(=O)CC=CC2CC21O,0,GDB ChEMBL
262218,CCC(CO)(CC(C)(C#N)C#N)NC=O,0,GDB ChEMBL
180799,NS(=O)(=O)C1CC([NH3+])C(CO)CNC1=O,0,GDB ChEMBL
130250,CCC1=CC(C)C(CC[NH3+])(OC(C)C)CC1,0,GDB ChEMBL
116393,CC(NC=O)C([NH3+])CCC(C)(O)CCO,0,GDB ChEMBL
119648,C#Cc1cc(F)cc(F)c1C1CC1(C)C,1,GDB ChEMBL
375189,C#CC1CCC(CCC)[NH+](CC)C(C)C1N,0,GDB ChEMBL
171845,CCC(C)OC1CCC(C)(C)C2CC(C)C1C2,0,GDB ChEMBL
5294,NS(=O)(=O)c1cc(CO)c(CCC(=O)[O-])[nH]1,1,GDB ChEMBL
151761,CC1C(=O)NCC([NH3+])C2COC12,0,GDB ChEMBL
271601,CN1CC2C3[NH2+]CCC3(C)CC1C1CCC[NH+]12,0,GDB ChEMBL
235237,CCCN=C1OCC2CN12,1,GDB ChEMBL
133209,CC(C(O)C(N)=O)C1[NH2+]CC(N)C1OC(N)=O,0,GDB ChEMBL
186570,CCC(C[NH3+])(CO)C1C[NH2+]C1C,0,GDB ChEMBL
50304,N=COc1cc(N)c(Cl)cn1,1,GDB ChEMBL
259466,C#CCN(CC(O)C[NH3+])C(N)=[NH+]C,0,GDB ChEMBL
194272,COC(C)C12CC1(C)C(CC(N)=O)C(C)[NH2+]2,0,GDB ChEMBL
106996,CCOCCC(O)(C#N)CN,1,GDB ChEMBL
201395,[NH2+]=CNCC(O)COC(=O)NCC[NH3+],0,GDB ChEMBL
33299,CCCC1CCC2CCC(CC1)C21CCCC1,0,GDB ChEMBL
91164,CN1CCOCCC2NC2C1C[NH3+],0,GDB ChEMBL
60970,CC1N(C)C1(C(=O)[O-])C(C[NH3+])NC(N)=O,0,GDB ChEMBL
106993,N#CC1C2CC(=NO)C(C(N)=O)(C2)C1O,0,GDB ChEMBL
274133,CC1CCC2CC(C)CCC2C1,1,GDB ChEMBL
277864,Cc1c2cnc(Cl)c1OCCCCCC=C2,1,GDB ChEMBL
62062,CC1C=Cc2cc3c(cc2C[NH2+]1)CC[NH2+]C3,0,GDB ChEMBL
61904,NC(=O)C12C3CS(=O)(=O)N1C2CC3O,0,GDB ChEMBL
314130,CNS(=O)(=O)C1C([NH3+])CC2NC(=O)NC21,0,GDB ChEMBL
198856,CC1CC2(C(C)C)CC([NH3+])CC2C1C(O)CO,0,GDB ChEMBL
95513,CC1COC2C(CCC[NH3+])[NH2+]C1C2O,0,GDB ChEMBL
41082,N=C(N)N1C(=O)NC(C[NH3+])C1C(=O)[O-],0,GDB ChEMBL
99867,CCC1(C)CC(C2CC(C)C2)CC[NH+](C)C1,0,GDB ChEMBL
202019,O=C1CCCC(C2CO2)N1,1,GDB ChEMBL
130453,N=C(N)N(C(N)=O)c1cc(O)ncn1,1,GDB ChEMBL
99649,CC1(C2(C)CCCC3C(C[NH3+])C=CC32)CO1,0,GDB ChEMBL
372653,CC1CNS(=O)(=O)CCC1NC=O,1,GDB ChEMBL
99819,CC([NH3+])CN(C)CCC#N,1,GDB ChEMBL
225043,CCn1ncc2c(c1=O)CC[NH2+]C2,0,GDB ChEMBL
868,CC(=O)NC1(C)C2C(=O)OC(C[NH3+])C21O,0,GDB ChEMBL
366765,CCCCC1CC1C(C#N)Cc1ccc[nH]1,0,GDB ChEMBL
40362,CCCC1CC2CC(CC)C(C1)C2C(C)(C)C,0,GDB ChEMBL
87039,CCN(C(N)=O)C(=O)C(=O)C#N,1,GDB ChEMBL
5235,C1CCC2C3CCC([NH2+]C1)C23,0,GDB ChEMBL
361139,NS(=O)(=O)c1cc(C=O)ccn1,1,GDB ChEMBL
116028,N#CCC1(C([NH3+])CO)C(O)C1NC(N)=[NH2+],0,GDB ChEMBL
362823,N=C1CC([NH3+])C(N)C(C(=O)[O-])N1C(N)=[NH2+],0,GDB ChEMBL
147531,CC(=O)N1C(=O)C2C(O)C1C(O)C2C=NO,0,GDB ChEMBL
353985,CCOC1C(CO)C(C(N)=O)C1(C)C#N,0,GDB ChEMBL
330381,CC(=O)CNCC(N)=O,1,GDB ChEMBL
302577,CC(C)N1C(=O)CC2C3C(=O)OCC231,0,GDB ChEMBL
358905,CC1OC2CC1[NH+](C)C(C)CC2(C)C=O,0,GDB ChEMBL
118401,CNc1c(O)c(Br)c(Br)c2ncc(C)cc12,1,GDB ChEMBL
16543,NC(=O)C1(N)C[NH2+]CC(O)(C(=O)[O-])C1CO,0,GDB ChEMBL
338551,CC#CC1C(=O)CC2C[NH+]1C(C)(C)C2,0,GDB ChEMBL
287022,CCC1C(OC)C2=CCCCC23C(CC)C13,0,GDB ChEMBL
315161,Cc1c(Cl)ccc2c1C(C)C1(C)C(C)C21,1,GDB ChEMBL
354350,CC(=O)c1c(C)nc(Cl)c(N)c1C1CC1C,0,GDB ChEMBL
293820,CC1C(C)C(C#N)(CC(N)=[NH2+])CC[NH+]1C,0,GDB ChEMBL
65589,CC1C(O)COC(C(=O)[O-])C2OC12,0,GDB ChEMBL
221128,CC(=O)NC(=O)C(O)C[NH+]=CN,0,GDB ChEMBL
153314,O=C([O-])C12COC(CO)C1N2,0,GDB ChEMBL
321412,N#CC(N)C1OC(=O)C(O)CNC(C[NH3+])C1O,0,GDB ChEMBL
173724,NS(=O)(=O)C1OC(CC[NH3+])C2(C(=O)[O-])CC12,0,GDB ChEMBL
331458,COC1CNC(=O)C1(C(C)[NH3+])n1ccnc1,0,GDB ChEMBL
26573,CNC(=O)OC12CN(CC(N)C1[NH3+])C2,0,GDB ChEMBL
184916,CC#CCN(C)C(C)(C)C[NH3+],0,GDB ChEMBL
54051,CC1=CC(C)C2CC3[NH+](CCO)CCCC123,0,GDB ChEMBL
370322,N#CC1NCC1(C(=O)[O-])C1OC1CO,0,GDB ChEMBL
294456,CC1C2CC[NH+](C2)C2C(O)CN1C2(C#N)CO,0,GDB ChEMBL
252700,N#CC1CC(O)C(O)CC1=O,1,GDB ChEMBL
64298,Cc1cc2c(C)n[nH]c2nc1Cl,1,GDB ChEMBL
288513,CCC1C[NH+]2CCC(O)C34CNC(=O)C13C24,0,GDB ChEMBL
338574,Cc1cc(O)c(Br)cc1C#CC[NH3+],0,GDB ChEMBL
143832,CC(=O)NC(C)c1nnc(N)n1C(N)=O,1,GDB ChEMBL
384792,O=C([O-])Cc1nnc(CO)c2ncnn12,0,GDB ChEMBL
263294,CC1=NC(C#N)(C(=O)[O-])C(=O)N1C(C)CO,0,GDB ChEMBL
221136,[NH3+]C1C(O)CCC2(C(F)(F)F)OCC12,0,GDB ChEMBL
105124,CC(C)NC(=O)NC(C(C)C#N)S(N)(=O)=O,0,GDB ChEMBL
390496,N#CCOCC(O)C1COCC(=O)NC(=O)O1,1,GDB ChEMBL
372108,CNc1cnc(OC)c(C[NH3+])c1O,0,GDB ChEMBL
375438,COc1cnc(N)sc(N)ncn1,0,GDB ChEMBL
3922,C(OCC1CO1)C1CC2CC2C1,1,GDB ChEMBL
234906,CCn1c(C(C)(C)O)cc(C(N)=O)nc1=N,1,GDB ChEMBL
387059,CC(C[NH3+])C1C[NH2+]C2(CC2)C1CO,0,GDB ChEMBL
165944,CC(C)OCC(C)C1C[NH2+]CCC(N)=[NH+]1,0,GDB ChEMBL
312255,N#CC1CC2C3CCCC(COC1C2[NH3+])C3,0,GDB ChEMBL
383788,CCCC1C2CCC([NH2+]2)C2CC12CO,0,GDB ChEMBL
343965,CC1C(O)C([NH+]=C(N)N)C(NC(N)=O)C1(C)O,0,GDB ChEMBL
379728,CC1OC(=O)C2C(O)C12C#N,0,GDB ChEMBL
80487,CC([NH3+])(C[NH3+])C(C(=O)[O-])C1OCC(O)C1O,0,GDB ChEMBL
354785,CC#CC1(C=O)C2C=CC1CC(O)C2,0,GDB ChEMBL
155774,CCC1OC(=O)C(O)COC1C[NH3+],0,GDB ChEMBL
222106,CCc1cc(C)ncnccs1,0,GDB ChEMBL
288937,CC(C)CCC1CC=CC=CCC1C,0,GDB ChEMBL
103912,C#CC[NH+]1CC(C(CC)C(C)(C)CCO)C1,0,GDB ChEMBL
281024,C=C1C2COCC1(O)C[NH+]2CCC,0,GDB ChEMBL
378906,COCC1C2C([NH3+])C(O)CC12C,0,GDB ChEMBL
147943,C#Cc1ccc(C(C)C2(C#C)CC2)cc1F,1,GDB ChEMBL
277654,CCC([NH3+])CC(C)(C[NH3+])CC1C=CCC1,0,GDB ChEMBL
247209,CNCc1nc(O)cc(C)ccoc1[N+](=O)[O-],0,GDB ChEMBL
393950,CCc1nc(=O)n(C)c2c1C(CO)C([NH2+]C)C2,0,GDB ChEMBL
267319,C#CCC(C#C)CCC=C(C)CC,1,GDB ChEMBL
380316,[NH3+]C(C1CCC(O)C1)C1CCN(C=O)C(=O)N1,0,GDB ChEMBL
79311,NC1=[NH+]CC2(CC([NH3+])C(=O)[O-])C(=O)NCC2N1,0,GDB ChEMBL
323944,N=C1OC2(Cn3cccn3)CC(=O)OC1C2O,0,GDB ChEMBL
7814,NC12C(=O)NCC1C2C([NH3+])CCO,0,GDB ChEMBL
386517,Cc1cccc(F)c1CC1=CCCC1C,1,GDB ChEMBL
181386,CCOC(C)(C[NH3+])CCCO,1,GDB ChEMBL
294799,C#CCC(CCC)NC(=O)NC(=O)OC,1,GDB ChEMBL
222899,NC=Nc1c(Cl)cccc1CNC=O,1,GDB ChEMBL
385599,CN=c1ccc(NCCCCC(C)C)c(Cl)s1,0,GDB ChEMBL
120543,[NH2+]=C1NC2COC(=O)C(N1)C2O,0,GDB ChEMBL
21485,C#CC1COc2cn(C)c(C)c2NC1CC,0,GDB ChEMBL
305179,CN(C)C(=O)C(N)C[NH2+]C1CC1,1,GDB ChEMBL
157746,CN1CC2NC(=NCC(=N)OC1=O)N(C)C2=O,0,GDB ChEMBL
279282,OC(CCn1cccn1)C1CC2CCC=C21,0,GDB ChEMBL
3000,CNC(=O)C1CCC1O,1,GDB ChEMBL
118458,CC1CC2(O)C=CC1COC(=O)C(N)C2,0,GDB ChEMBL
318337,C[NH2+]CC1(O)CC(O)C2CC1C(OC)C2C[NH3+],0,GDB ChEMBL
235189,C=C1CC(C(O)CC(=O)[O-])S(=O)(=O)N1,0,GDB ChEMBL
8775,CCCC1(CC(F)(F)F)C2C=CC1C=C2,0,GDB ChEMBL
173169,[NH3+]CC12CS(=O)(=O)NC1C2CC(O)CO,0,GDB ChEMBL
85816,CC#CC#CC1CCN(C)C1C#N,1,GDB ChEMBL
97158,CCCC1(C)C(C)C(O)CC2CC21,0,GDB ChEMBL
73863,COC(=N)CC([NH3+])CC(OCC[NH3+])C(N)=O,0,GDB ChEMBL
216565,C#CCCCCCC(C)C1(C)CC2COC1C2,0,GDB ChEMBL
271597,CC1OC(=[NH2+])NC1C(N)C(O)C(O)C(N)=O,0,GDB ChEMBL
80271,C#Cc1cccc(C#CC(C)C#C)c1F,1,GDB ChEMBL
217341,N#CC(N)C1C(C[NH3+])CC([NH3+])C1O,0,GDB ChEMBL
50999,Cc1cccc2c1CC1(C)CC(C)C2CC1C,0,GDB ChEMBL
374887,CC(C)CCC1(CC=O)CC1,1,GDB ChEMBL
208422,COC(C)c1cnccc1C,1,GDB ChEMBL
338087,CCNC(=O)CC1C(CC#N)=CCC1(C)O,0,GDB ChEMBL
81770,C#Cc1cccc(NC)c1Cl,1,GDB ChEMBL
383050,CC1(CC(O)C(O)CO)CCC(=O)C1,1,GDB ChEMBL
95914,NC(=O)c1[nH]cnc1N,1,GDB ChEMBL
266453,NC(=O)CCCC(O)C=CNC=O,0,GDB ChEMBL
315270,CNC(=O)C1(C)CC1n1ncnn1,0,GDB ChEMBL
360852,CN1C(=O)C2[NH2+]CC1C2C=O,0,GDB ChEMBL
28976,CC1C([NH3+])C(CO)C(=O)N1C1CC1,0,GDB ChEMBL
203888,CN1CCCn2c1cc1c(O)nc(F)c(N)c12,0,GDB ChEMBL
362004,CC1C2COC(=O)C(C)(C)C2CCCC[NH+]1C,0,GDB ChEMBL
4762,O=S1(=O)NCC(C[NH+]2CCC(O)C2)O1,0,GDB ChEMBL
215266,CC1=CC(C(O)CO)CCC=C1,0,GDB ChEMBL
34329,C#CC1CC(C)OC1CC[NH3+],0,GDB ChEMBL
112590,CC#CC1C(C)CC(C)C1[NH2+]C,0,GDB ChEMBL
262319,CCNC(N)=[NH+]CC[NH3+],0,GDB ChEMBL
234381,CCCc1c(F)cc2sccn2c1=O,0,GDB ChEMBL
190288,OCc1noc(NC2=NCCN2)n1,1,GDB ChEMBL
362855,C[NH2+]C(C)(C)CCCC(=O)OCc1cnon1,0,GDB ChEMBL
269382,CC1(O)CC(CC#N)(C(O)CC(N)=O)C1,0,GDB ChEMBL
222853,CCC1(C)CCC1C(CC[NH3+])[NH2+]CCO,0,GDB ChEMBL
331202,CC1(C)CCCC2(CCCC2)C(C[NH3+])C1,0,GDB ChEMBL
248873,N=CN1CC(CCO)(OCC[NH3+])CC1=O,0,GDB ChEMBL
191291,CCC(CO)OCCCOC,1,GDB ChEMBL
85060,CC(C)C1CCCC2(C)C3CC(C12)C(C)(C)C3,0,GDB ChEMBL
372717,CC(C)CC1(C)C(C)CC2CC(C)CCC21,0,GDB ChEMBL
122714,C[NH2+]C1CN(C)C(CO)C(O)C(C(N)=[NH2+])C1O,0,GDB ChEMBL
76934,CC=CC#Cc1cc(C)ccc1F,1,GDB ChEMBL
188139,CCc1cc(Br)c2c(c1)C(O)(C(C)C)CCC2,1,GDB ChEMBL
215668,C#CCC(C)C1CC2CC1(C)COC2C,0,GDB ChEMBL
223254,CCCCCC=Cn1nncc1C,1,GDB ChEMBL
289225,CC[NH2+]CC(CC(=O)[O-])NC=[NH2+],0,GDB ChEMBL
214397,CCc1cc(C)c2c(c1C)CC1(C)CCCC21,1,GDB ChEMBL
220165,C[NH2+]CC1C(C=NO)C2CC(O)C1C(=O)O2,0,GDB ChEMBL
218326,CCC(C)(C(O)COC)C(C)C1(O)CC1,1,GDB ChEMBL
297261,CCC1C(C)(C)C12CCOC2,1,GDB ChEMBL
217339,COC(=O)C1C(=O)CCCC1C1CC[NH2+]C1,0,GDB ChEMBL
328966,COC1(C2CC2)CC[NH2+]C1(C)C,0,GDB ChEMBL
141769,CC(C)(C(=O)[O-])C1OC(=O)C1CCC[NH3+],1,GDB ChEMBL
109719,CC1C(N)C(C(N)=O)C2CCC[NH+]12,0,GDB ChEMBL
132995,C=CCC1C[NH2+]C(C)C2(CC2)C1C,0,GDB ChEMBL
333078,Cc1[nH]c(=O)ccc1C1CN1,1,GDB ChEMBL
191710,CC1CC(NC(N)=[NH2+])C2C(O)(CO)C12[NH3+],0,GDB ChEMBL
261441,CCC1(CC)C=CC2C(O)C(OC)C(C)C21,0,GDB ChEMBL
308168,CCCCCC1OC(C)c2c(NC)cccc21,1,GDB ChEMBL
274242,CCC1C=Cc2c(F)cccc2C([NH3+])C=C1,0,GDB ChEMBL
22499,CNC(C)(C#N)CNCC(=O)[O-],1,GDB ChEMBL
169035,C[NH2+]CCOC(CNC=O)C(C)=O,0,GDB ChEMBL
191509,CCOC1CCCCN(C=O)c2sccc2C1,1,GDB ChEMBL
225061,CC(C)(O)Cc1ccsc1,1,GDB ChEMBL
149348,CCC1C=C2CCC3(CC3)C2C1CCC[NH3+],0,GDB ChEMBL
194415,CCOC(=N)CC1CCC1,1,GDB ChEMBL
395944,CCOC1CCCCC(=O)CC(C)OCC1C,0,GDB ChEMBL
217352,C#CC1=CC=CC(O)C(C[NH3+])(C[NH+](C)C)C1,0,GDB ChEMBL
207308,[NH2+]=C(NCCCO)NCc1[nH]c(=O)ccc1Br,0,GDB ChEMBL
31986,CCC12CC(C)CC1(CCCCC(C)C)C2,0,GDB ChEMBL
249547,NC(=O)c1oc(C(=O)[O-])cc1[N+](=O)[O-],0,GDB ChEMBL
214051,CCC1CCC(C2=CCCC2)C1,1,GDB ChEMBL
349956,CC(O)CNCC(=O)c1ncnn1C,1,GDB ChEMBL
366777,CCC1CC2C(=O)NC(C2[NH2+]C)C2C(C)C12,0,GDB ChEMBL
366570,CC1CC2CC2C(C)[NH+](C)CC1C,0,GDB ChEMBL
278222,CC12COC(C(N)=O)C1C(C=NO)C(O)C2,0,GDB ChEMBL
320266,CCCC1(C)C(=O)NCCC1NC=[NH+]CC#N,0,GDB ChEMBL
44661,CC1=CC(C)CC2CCCCCC2=CC=C1,0,GDB ChEMBL
45007,CC[NH2+]CC(=CC(C)C)C1(C)CC1,0,GDB ChEMBL
64617,COC(=O)C1OCC([NH3+])(C(C)C)CC([NH3+])C1N,0,GDB ChEMBL
266210,N#CC(CC(O)C1[NH2+]CCC1O)C(O)C(=O)[O-],0,GDB ChEMBL
366562,C#CCC(C[NH2+]CC=O)OCc1nc[nH]c1C,0,GDB ChEMBL
324012,CCCC(CC)CC(C)[NH2+]C,0,GDB ChEMBL
354632,CCC(C)CC(C)C1([NH3+])CC1,0,GDB ChEMBL
277067,CC#CC1(CCCC)CCCC(C)CC1,1,GDB ChEMBL
92893,COC12CCCCC1(C)CCC2CC1CC1,1,GDB ChEMBL
252046,CC=CC(=O)N1CC([NH2+]CCC)C1,0,GDB ChEMBL
251869,CC(=O)c1cnc(S(=O)(=O)[O-])nc1C,0,GDB ChEMBL
98520,CC(C)NC=[NH+]CC(C=O)NC(N)=[NH2+],0,GDB ChEMBL
382117,NC(=O)C([NH3+])C(O)C(CCO)C(N)C[NH3+],0,GDB ChEMBL
277679,C#CCC1(C)CC(C#C)NC(C(C)C)C(=O)N1,0,GDB ChEMBL
95581,CN1CCNC(CO)C1=[NH2+],0,GDB ChEMBL
366891,Cc1c[nH]c2nccc(NC(=N)OCCO)c12,1,GDB ChEMBL
5915,CN=C1OC(=O)NCC1C#N,1,GDB ChEMBL
109715,CC(C[NH3+])CC([N-]c1nc(N)no1)C(N)=O,0,GDB ChEMBL
247595,CC(C)(O)C(=O)NCc1c[nH]nc1CCC[NH3+],0,GDB ChEMBL
217075,Cc1cccc(Br)c1C(C)(C)COCC(C)C,1,GDB ChEMBL
184131,C#CCCC1=CCC(C)C(C)(OCC)C1,0,GDB ChEMBL
50336,C1=C2COCCC[NH+](C1)C2,0,GDB ChEMBL
173129,CCCC(CO)(CC#N)C1CNC(C(C)=O)=N1,0,GDB ChEMBL
77041,COC(C[NH3+])C1NC=CC(=O)N(C)C12CC2,0,GDB ChEMBL
225216,CC1(O)C(C(N)=O)C1C([NH3+])CCS(N)(=O)=O,0,GDB ChEMBL
188474,CCCNc1c(CC(C)C)sc(C)c1N,1,GDB ChEMBL
60959,COC1C(C)C[NH2+]C2CCC1C2,0,GDB ChEMBL
259371,N#CC1NS(=O)(=O)CC1(N)CC(=O)[O-],0,GDB ChEMBL
234877,C=CC1(CC)C2C3CCC(CC3)C21,0,GDB ChEMBL
148746,CC1CC2N(C)S(=O)(=O)C(C1[NH3+])C2(O)CO,0,GDB ChEMBL
280803,CC1CC(CN)[NH2+]CC(CC[NH3+])=CC1O,0,GDB ChEMBL
255354,COC(=O)[N-]S(=O)(=O)C(C)N1CCNC1=O,0,GDB ChEMBL
349486,C#CC1(O)CCCC2CCC(C)(C)C2C(C)C1,0,GDB ChEMBL
203334,C#CCC1CC2CCCC=C(C)C1C2,0,GDB ChEMBL
275555,CC(CC1CCC1)S(C)(=O)=O,1,GDB ChEMBL
124187,C#CC(=O)C=CNCCCC(C)O,1,GDB ChEMBL
182075,C#CCCC1(C)C(C)CC(C(C)C)CC1C[NH3+],0,GDB ChEMBL
116416,C#CC1C(OC(CC)CCC(=O)[O-])=NCC1O,0,GDB ChEMBL
352239,CCOC12CC(C)C[NH2+]C(C1)C(C)C(C)C2,0,GDB ChEMBL
85819,C#Cc1cc(Cl)cc2c1C=CC(C)C2,1,GDB ChEMBL
238173,CC1CC(=O)C(CO)(C2CN2C)CC1C,0,GDB ChEMBL
228514,C=CCCCC1CCC=CCCC1,1,GDB ChEMBL
271323,CN(CC(C)(O)CC(N)=O)c1nnn[n-]1,0,GDB ChEMBL
136720,C[NH+](CCC(=O)[O-])CCC(CCO)C(N)=O,0,GDB ChEMBL
345791,C[NH+]1CC=C(C(F)(F)F)C2(C)CCC1CC2,0,GDB ChEMBL
358957,CC#CC([NH3+])CC1C(C)=CCCCC1CC,0,GDB ChEMBL
173965,[NH3+]CC1(CO)C2C[NH2+]CC1C2,0,GDB ChEMBL
221901,CC1NC(=N)OC2C(CNC1=O)CC(O)C2[NH3+],0,GDB ChEMBL
393967,CN(C=O)C(=O)C(NC=[NH2+])C(O)C[NH3+],0,GDB ChEMBL
374338,CS(=O)(=O)[N-]C1C(=O)COC(=O)C1O,0,GDB ChEMBL
48049,C[NH2+]CC1c2c(I)cc(C)cc2OC1C,0,GDB ChEMBL
148856,COC1C(=O)C(C)(C)C(C)C1C(F)(F)F,0,GDB ChEMBL
35485,CCS(=O)(=O)CCCNCc1nn[n-]n1,0,GDB ChEMBL
140739,[NH3+]CC1CCOS(=O)(=O)[N-]C(=O)CN1,0,GDB ChEMBL
80259,C[NH2+]C1C(C)CN2CCOC(=O)C12,0,GDB ChEMBL
146052,C1=CCCC(C2CC=CC2)CCC1,0,GDB ChEMBL
259323,C#CCC(O)C1C=CC(C)C1CCC,0,GDB ChEMBL
124308,COC1CC([NH3+])C2CC2NC(=O)C1O,0,GDB ChEMBL
116608,O=C1CC2C(CO)CC1C2O,0,GDB ChEMBL
198792,CCNc1c(C(N)=O)coc1C=O,1,GDB ChEMBL
225171,C#CC1(N)C(=O)NC1CC[NH+](C)C,0,GDB ChEMBL
179479,CCN(C)C(=O)OC(=N)CC(=O)CC=O,1,GDB ChEMBL
21457,CC(=NO)C1C2NC(=O)CC21C(O)C(N)=O,0,GDB ChEMBL
350643,C#CCC1CCC2CC3CC3[NH+]2C1C,0,GDB ChEMBL
357599,CCC1(C#N)C(C[NH3+])C1COC,0,GDB ChEMBL
179281,CC(CCCO)CC(C)(C)C#N,1,GDB ChEMBL
278851,CC#CC([NH2+]CC)C1CCOC1,0,GDB ChEMBL
169071,CCCCC(C(C)CC)C1(C)CC(C)C1,0,GDB ChEMBL
83509,CCCC(C)C12C(C)CC(C)(CC1C)OC2C,0,GDB ChEMBL
267947,CCC1N=C2N(CCC[NH3+])C(=O)CC23OC13,0,GDB ChEMBL
66669,CS(=O)(=O)CCC1OCC1O,1,GDB ChEMBL
61826,CN1CC2OC(CNC1=O)C2[NH3+],0,GDB ChEMBL
70101,CC(C#N)NC(C)C(C(=O)[O-])S(N)(=O)=O,0,GDB ChEMBL
290012,C#CCCNC(C)(C=O)C1CCCC1[NH+](C)C,0,GDB ChEMBL
211123,CN(C(=O)CN1CCOC1=N)C(C#N)C=O,1,GDB ChEMBL
127931,CCc1cc(C)cc2c1C(C)C(C)CC2(C)O,1,GDB ChEMBL
247163,CNCc1nc(OC)n(CC(C)C)n1,1,GDB ChEMBL
29627,CC(=O)OCCc1cnc(C(N)=[NH2+])[nH]1,0,GDB ChEMBL
259487,CC1CC2[NH2+]C(CC1O)C1CC21,0,GDB ChEMBL
75836,NC(=O)C1C2N1C(C(O)CO)CS2(=O)=O,0,GDB ChEMBL
109547,CC1NCC(C)([NH3+])CC1CC#N,0,GDB ChEMBL
35728,COc1ccc(C)[nH]c1=O,1,GDB ChEMBL
296308,CCCCCC1CC(CC)C(C)CC1(C)[NH2+]C,0,GDB ChEMBL
358634,CC1CC2N(C)C(=O)NC(=O)CC2(C)O1,0,GDB ChEMBL
3967,CCOCC[NH+]=c1ccc2c([nH]1)CC(C)(C)C2,0,GDB ChEMBL
191345,CN(C(N)=O)S(=O)(=O)C1CC1,1,GDB ChEMBL
204431,COCC(C)([NH3+])C1CC2CC(C)C1(C)C(=O)N2,0,GDB ChEMBL
223558,CCC1[NH2+]CCCC12CCC2,0,GDB ChEMBL
153716,[NH3+]CCC1OC1CNS(=O)(=O)CCO,0,GDB ChEMBL
280640,C#CCOC(=N)CCNC(C)C#N,1,GDB ChEMBL
159701,CC=CN(CC[NH3+])C(=O)CCC[NH3+],0,GDB ChEMBL
126860,CC1=CCCC[NH+]2CC13CC2C3,0,GDB ChEMBL
76719,CCC(CC)C(=CCO)C1(C)CC1,1,GDB ChEMBL
333053,C#CCC(C)C1C(O)CC2CC1C2(C)C,0,GDB ChEMBL
345687,C1=CC2(CC2)C[NH+]2CCC1CC2,0,GDB ChEMBL
162896,N#CCCOC(=N)C(=O)[O-],1,GDB ChEMBL
284804,CCN(c1nnnc(N)n1)C(C=O)CO,0,GDB ChEMBL
317963,O=CC1NC(=O)C2(OC2C(=O)[O-])C1O,0,GDB ChEMBL
274929,CC(O)CC12CN1C(C)CCC2C(=O)[O-],0,GDB ChEMBL
226279,CC(C1=CCCC1)c1cc(F)ccc1F,1,GDB ChEMBL
9916,O=C([O-])CC(=O)OCC1(CCCO)CCC1,1,GDB ChEMBL
26870,CC1Cc2c(I)cccc2C(CC2CC2)C1,0,GDB ChEMBL
162486,NC1C([NH3+])CC(CO)OC1C[NH3+],0,GDB ChEMBL
165646,C[NH+]=C(NCC[NH3+])N1CCC(C)(O)CC1,0,GDB ChEMBL
237984,CC1C(C#N)NC(CO)C(O)C1O,0,GDB ChEMBL
383981,CC1(C[NH2+]CCCCC2CC2)CCC1,0,GDB ChEMBL
34423,CC(=[NH2+])NC1=NCCN(C=O)CCOCCC1,0,GDB ChEMBL
382166,NC(=O)OC1C(=O)OC2C(O)CCOC12,0,GDB ChEMBL
263492,CN1CC(CC=O)CC(O)CC2(CO2)C1=O,0,GDB ChEMBL
34825,CC1(C)C=CCCCC2CC[NH2+]CCC2C1,0,GDB ChEMBL
47681,N#CC(C1=NC(CO)C(O)CN1)C1CCCO1,0,GDB ChEMBL
121763,CCNC(C#N)C(O)C(O)C(C)S(N)(=O)=O,0,GDB ChEMBL
186029,CC12CC(O)C3C1C2C[NH+]3C1CC1,0,GDB ChEMBL
203643,CC#CC1(CCCC)CC=CC1,1,GDB ChEMBL
234863,CC(C)(C=NO)NC(=[NH2+])N1CCCC1CO,0,GDB ChEMBL
117393,CC(N)(C[NH3+])C(COC(N)=O)C(N)=O,0,GDB ChEMBL
24255,CCC1Cc2occc2C1CC,1,GDB ChEMBL
215683,CCN(C)c1cc(O)nc(C#N)n1,1,GDB ChEMBL
308209,C[NH+]1CCCC2C(=O)CNCC21,0,GDB ChEMBL
173972,CCc1ccc(CCC=O)s1,1,GDB ChEMBL
140361,CCC(C)C1=CNC(=O)CC1,1,GDB ChEMBL
213980,CN1CC1(C)C1CC(=O)NCCC1(C)O,0,GDB ChEMBL
94885,O=CC#CC1Cc2ccccc2N1,1,GDB ChEMBL
77356,CN1C(CC(N)=O)C2OCC([NH3+])C1C(C#N)O2,0,GDB ChEMBL
337810,C#Cc1cc(I)cc(CC(C)CC(C)C)c1C,1,GDB ChEMBL
115722,C#CCC1=C(C)CCCCCC[NH2+]C1,0,GDB ChEMBL
187219,CCC(C)CC#CC(O)CO,1,GDB ChEMBL
3979,C#CC1(C2CCC[NH2+]CC2)CO1,0,GDB ChEMBL
195473,NC(=O)N1CCCCCC1,1,GDB ChEMBL
38572,CCC1[NH2+]CC2(C(N)=O)CC1C2,0,GDB ChEMBL
395650,C#Cc1ccc(Br)c(C#CC)c1CC1CC1,1,GDB ChEMBL
301422,CN1C(=O)NCC2C3CC1C2O3,0,GDB ChEMBL
299760,CCCC1CCCC2CC(CC)C3C(C1)C23,0,GDB ChEMBL
165960,CCCCCC(O)(C#N)CCn1nncc1C,1,GDB ChEMBL
317981,CC1(C)OC2C(CO)CC1OC2C([NH3+])CC[NH3+],0,GDB ChEMBL
228810,CCc1c(CNC(C)=O)cn(C)c1CO,1,GDB ChEMBL
121128,CCC[NH+]=C(N)NC1CCC(O)CC(C)C1O,0,GDB ChEMBL
334639,C[NH2+]C1(C(O)CC(C)[NH3+])CCC1,0,GDB ChEMBL
244546,CC(O)C(N)(C#N)C(C#N)CCS(N)(=O)=O,1,GDB ChEMBL
194774,C#CC(C(O)CCO)C1C(C=O)C[NH2+]C1CC,0,GDB ChEMBL
70123,NS(=O)(=O)C1C23CC(CO)CC12C([NH3+])C(=O)N3,0,GDB ChEMBL
48127,Cc1ocnc1C#CCNC=O,1,GDB ChEMBL
235574,NC(C[NH3+])CNC(=O)C([NH3+])CO,0,GDB ChEMBL
225389,C[NH2+]C(C)(C)C1CC2CCCC(C)C2C1,0,GDB ChEMBL
181734,CC1OCC2(C)C(C[NH3+])C(C(C)[NH+](C)C)C12,0,GDB ChEMBL
179292,CCN1C(=O)OCC2(C#N)CC1CC(=N)O2,0,GDB ChEMBL
115780,NC(=O)C1[NH2+]C2Cc3sc(N)nc3C1(O)C2,0,GDB ChEMBL
45046,CC(CO)(CN(C=O)C=O)C(N)=[NH2+],0,GDB ChEMBL
334062,CCC(C)C1C[NH2+]C2CC1CCC2[NH3+],0,GDB ChEMBL
8700,CNc1ccc(OCCO)c(C)c(=O)c1O,0,GDB ChEMBL
161075,C#CCOCC(N)C(=O)OC,1,GDB ChEMBL
121122,CC1CC=CC2CCC(C)(C)C(O1)C([NH3+])C2,0,GDB ChEMBL
178044,CCc1ncc(Cl)c(C#N)c1CC(C)C(C)C,1,GDB ChEMBL
108667,CN1CC(OCC(C)(C)C(O)CC#N)C1,1,GDB ChEMBL
89691,C[NH2+]Cc1csc(C(=N)N)n1,0,GDB ChEMBL
160321,CCCC1CCCC(C)C1[NH3+],0,GDB ChEMBL
379213,CC1C=CCC(CC2(C)CC[NH2+]C2)C1=O,0,GDB ChEMBL
127228,COC1C=CC(CO)N(C)C=[NH+]CCCC1,0,GDB ChEMBL
79572,COc1c[nH]c(=[NH2+])c(CCCO)c1Br,0,GDB ChEMBL
153243,N=C1OC(CCO)CNC1=O,1,GDB ChEMBL
77331,O=C1C=CCN2C1C2c1cccnc1,0,GDB ChEMBL
185904,O=C([O-])COC1C2C[NH2+]C(C(CO)C2=O)C1O,0,GDB ChEMBL
107037,CC(=O)C1C[NH2+]C(C)CC(NC(N)=[NH2+])CO1,0,GDB ChEMBL
322814,CC1CC1(C#N)NC(CO)C(N)=O,0,GDB ChEMBL
178024,NC(=O)C([NH3+])CCN=C1NCC1O,0,GDB ChEMBL
372630,CC(C[NH3+])C1C=C2CCCCC2CC1C#N,0,GDB ChEMBL
328937,CCN(C=[NH2+])C(N)=[NH+]CC(=O)[O-],0,GDB ChEMBL
118887,CC1CC(=NO)C2CNC(C(=O)N2)C1C,0,GDB ChEMBL
325850,CC1(C(C#N)CO)CC=CC1,0,GDB ChEMBL
318133,CCC1CC=CC(C)(C)[NH2+]C1,0,GDB ChEMBL
4723,C#CC12N=CN(C(C)C)C1CCCCNC2=O,0,GDB ChEMBL
269190,CCC1C2C(C)C(O)C([NH3+])C12,0,GDB ChEMBL
152558,CC1C[NH2+]C(C)(CC(F)(F)F)CC(C)O1,0,GDB ChEMBL
300517,CC(=O)C(=N[O-])C(C(F)(F)F)C1(C)CC[NH2+]C1,0,GDB ChEMBL
177853,N=C(N)NC(=O)NC(=O)NC(=N)N,1,GDB ChEMBL
93414,CCC1CC2CC1(C#N)C[NH2+]2,0,GDB ChEMBL
300225,C[NH2+]Cc1nc(NCC(C)(C)CO)c(N)[nH]1,0,GDB ChEMBL
61868,CCCc1c(N)cc(Br)cc1OC1CC1,1,GDB ChEMBL
111879,CCCN(C(C)=[NH2+])C(C=O)C1CCCC1(C)C,0,GDB ChEMBL
181165,CC12CCC(CC1)OCCOC2=N,1,GDB ChEMBL
275496,CCCC12CC(C)(Cc3ccc(Cl)cc31)C2,0,GDB ChEMBL
162894,N#CC1CNCC([NH3+])C(N)C(O)C(=O)[N-]1,0,GDB ChEMBL
33127,NCC1CC2C(CO)C2C[NH2+]1,0,GDB ChEMBL
64080,CCC1C(C)CCC2(C)C1C=C(C)C1CC12,0,GDB ChEMBL
146896,CCC12CN(C)CCC1(CO)OCCCC[NH2+]2,0,GDB ChEMBL
366764,CCC(C)C1CC(=O)OC2CCC21,0,GDB ChEMBL
115388,N#CC12CCCC1(O)C2(N)C(O)CC(=O)[O-],0,GDB ChEMBL
354075,Cc1cn(C)c(O)cc(C(=O)[O-])ncn1,0,GDB ChEMBL
375872,C#CCOC(CC(=O)C[NH2+]C)C(C)=NO,0,GDB ChEMBL
29453,CCCCC(=O)C(CC(C)C)C(C)(O)C(C)=O,1,GDB ChEMBL
273425,NC(=[NH2+])NC12C3OC(=O)C1C2(O)CC3[NH3+],0,GDB ChEMBL
165607,CC1Cc2cc(Cl)c(Cl)c(C(C)(C)[NH3+])c2O1,0,GDB ChEMBL
319348,N#CC1OC(=O)CC(C[NH3+])O1,0,GDB ChEMBL
169412,C#CC1(C)CC(C)[NH+](C)C1,0,GDB ChEMBL
81528,[NH3+]CCC12C3NC(=O)N1C2CC3O,0,GDB ChEMBL
305545,C#CCC(C(C)C)C(C)(C(C)C)C(F)(F)F,0,GDB ChEMBL
82153,Cc1csc([N+](=O)[O-])c1,1,GDB ChEMBL
202793,CCCCC1CC(C)C2C(CC)C12C,0,GDB ChEMBL
393930,N#CC1(N)CC(CO)C([NH3+])C1O,0,GDB ChEMBL
195297,CC(=O)N1C(=O)C2[NH2+]CC3C2CC31,0,GDB ChEMBL
20519,C=CCOCC(O)C[NH+]=C(N)CO,0,GDB ChEMBL
5314,C#CC1CC2OCC3NC(=O)C(=O)C32C[NH2+]1,0,GDB ChEMBL
87102,Cc1ncnc(=O)[nH]cc(N)cc1O,0,GDB ChEMBL
42226,CC1CC2(C)C(CC[NH3+])C(C)C1C2(C)C,0,GDB ChEMBL
126918,CC(NC=O)C1(CO)OC1C#N,1,GDB ChEMBL
292934,CCC1Cc2ccc(Cl)c(Cl)c2C(C)=C1C,0,GDB ChEMBL
11681,CNC(=N)NC(=O)c1noc(CO)c1COC,0,GDB ChEMBL
156005,C#CCCc1ccc(CC)c(I)c1I,1,GDB ChEMBL
66182,CC1([NH3+])C(N)COC1CC(N)=O,0,GDB ChEMBL
121089,[NH3+]CC1COc2c3c(cc(F)c21)COC3,0,GDB ChEMBL
350900,CCC1CCCCC2CCCC(C)C2C1C,0,GDB ChEMBL
148335,COC1C23CCCCC12[NH+](C)CC3,0,GDB ChEMBL
3992,CCC1(CO)OC(=O)c2cc[nH]c(=O)c21,0,GDB ChEMBL
216542,CC(O)C1(C(O)C[NH3+])CC[NH+](C)C1,0,GDB ChEMBL
283235,CCC(C[NH3+])C(C[NH3+])OC(=O)C(N)=O,0,GDB ChEMBL
130887,C[NH+]1CCNCC(O)C1,0,GDB ChEMBL
339931,NC1=[NH+]C2C(CC[NH3+])CCC2C1,0,GDB ChEMBL
350700,NC1=[NH+]CC(O)CC[NH2+]CC1CC[NH3+],0,GDB ChEMBL
306295,CC1=CC2Oc3cc(O)c(O)cc3C2[NH2+]C1,0,GDB ChEMBL
85822,Nc1cccc(CC(O)CCO)c1F,1,GDB ChEMBL
47202,[NH3+]CC1(O)CC(CNC=O)C1,0,GDB ChEMBL
215694,CC1CC(C=O)N(C)CC(C#N)C2CCC12,0,GDB ChEMBL
275638,Fc1ccc(F)c2c1CC1CCCCC2C1,1,GDB ChEMBL
271107,CC(C#N)(CC(=N[O-])c1nccs1)[NH+]=C(N)N,0,GDB ChEMBL
70069,CN1CC([NH3+])(CO)CCC(C[NH3+])C1=O,0,GDB ChEMBL
117434,C#CC(C)(C)Cc1ccc(C)c(C)c1Cl,1,GDB ChEMBL
201472,CCC(=O)N(C)CCOc1nnon1,0,GDB ChEMBL
7800,CCc1cc(C)c2c(c1F)CC(C)=CC2,1,GDB ChEMBL
203294,CC#CC(CCC1COC1C(C)(C)C)[NH2+]C,0,GDB ChEMBL
64634,NCC[NH2+]C1CC1COC=O,0,GDB ChEMBL
112080,C#Cc1cc(Br)ccc1C(=O)C#CC,1,GDB ChEMBL
70044,Cc1ccc(Cl)c(C2CCCCC2)c1C,1,GDB ChEMBL
129393,Cc1nccc(OCC[NH3+])cc(C)c(CO)s1,0,GDB ChEMBL
112100,CCc1nc([NH+]=C(N)N)cc(N(C)CC)c1F,0,GDB ChEMBL
182244,CC1C2NC(C(N)=O)C1OC(=O)C2N,0,GDB ChEMBL
124781,CNC(=O)C(C)(C)C(C)NC(=N)C(N)=O,1,GDB ChEMBL
181126,COC(=O)C(N)C(O)C(N)=[NH2+],0,GDB ChEMBL
284293,Cc1cc(C#N)oc(=O)c1S(N)(=O)=O,1,GDB ChEMBL
280808,CC(C)C1(COC(N)=O)CN1,1,GDB ChEMBL
311033,C#CC1CC1(CCC)CC(C(C)C)C(C)C,0,GDB ChEMBL
33163,CC(C)CC1CCCC2CCOC1C2CC[NH3+],0,GDB ChEMBL
385478,CCCC1C(C)C(C[NH3+])OC1(C)C,0,GDB ChEMBL
358097,C#CCCCC(CO)NC(=[NH2+])CO,0,GDB ChEMBL
50100,CCOCCNC1(C2CO2)COC1,1,GDB ChEMBL
47799,N=c1c(O)c(C(=O)[O-])ccc(O)c1CO,0,GDB ChEMBL
134793,CC(=O)C1(C)CCCC(OC2(C)CC2)C1,1,GDB ChEMBL
354620,C#CCN(CC(O)c1ncnn1C)C(N)=[NH2+],0,GDB ChEMBL
79370,CCC(C)Nc1ccc(Br)c(O)c1N,1,GDB ChEMBL
205774,CC1[NH+]=CNC(C(N)C(O)CO)CC1[NH+](C)C,0,GDB ChEMBL
119968,CC1OC(=N)OC(C(=O)[O-])C([NH3+])CC([NH3+])C1O,0,GDB ChEMBL
156773,C=CC1(c2cc(F)ccc2N)CN1,0,GDB ChEMBL
179996,CCNC1C(C#N)CC2OC1C2S(C)(=O)=O,0,GDB ChEMBL
17452,N=C(OC(=O)C(N)=O)C1[NH2+]CCC1O,0,GDB ChEMBL
284865,C[NH+]1CCC23COC(=O)C(N)C2(C1)N3,0,GDB ChEMBL
379366,CC1CC(C(C)OCCO)C(O)(C(C)C)C1O,0,GDB ChEMBL
365732,CCCc1c(O)nc2sccn12,1,GDB ChEMBL
61713,CCCC[NH+]=C(NC)N(C)C=[NH2+],0,GDB ChEMBL
225869,CC1(O)CC2CCC(O)C(C[NH3+])C2(C)C1,0,GDB ChEMBL
281844,CCC(=O)C1(C)CC(C)C2CC=CC21,0,GDB ChEMBL
26452,CCC1(C)CC[NH+]2C3CC(C)C(C3)C2C1,0,GDB ChEMBL
375118,COC1CC(C(C)C(N)=O)C1CC(=O)[O-],0,GDB ChEMBL
202472,CCCN1CCC1c1nccs1,1,GDB ChEMBL
174940,CC(C)COC1(C)CC(C(F)(F)F)C1,1,GDB ChEMBL
103449,CCC1CC2(CO)OC2C1[NH3+],0,GDB ChEMBL
212539,CCC(C)C1(C)CC2(C(F)(F)F)CCCC2[NH2+]1,0,GDB ChEMBL
243773,CCC1(C)CC2(C)CC1C[NH2+]2,0,GDB ChEMBL
125656,[NH3+]C1COCC2CC(C(=O)[O-])C([NH3+])(C1)C2,0,GDB ChEMBL
236663,CC(C1C[NH2+]C1)n1cnnc1,0,GDB ChEMBL
350719,CCCC1OC(=N)CCc2c(Br)cc(C)cc21,1,GDB ChEMBL
234227,C#CCCCc1cc(CCC#C)c(I)cc1C,1,GDB ChEMBL
305298,CC(=O)C1C(C)COC(CC(C)C)C1(C)C,0,GDB ChEMBL
113501,NC(=O)CCNc1c(O)c(O)nc(N)c1I,0,GDB ChEMBL
18372,CCC12C=C(C)C(=O)C1NC(=O)NC2=O,0,GDB ChEMBL
191525,[NH3+]CC(O)C1CC(O)C2(CO2)C(=O)N1,0,GDB ChEMBL
375140,CC1=CCC(N)C[NH+](C(C)(C)C)C(C)CC1,0,GDB ChEMBL
262341,CC(=O)OC(CCO)C(C)(O)Cc1ncns1,0,GDB ChEMBL
334606,N=C1NC(CO)C(=O)N1C=NCC(N)=O,0,GDB ChEMBL
331756,CC12OC1C(=O)OC2CC[NH3+],0,GDB ChEMBL
133040,COC1CC(C)(O)C2CC(C)C=C2C1(C)C,0,GDB ChEMBL
204586,Cc1nc(C(C)C)nc2o[cH-]c(=O)c12,0,GDB ChEMBL
353933,C#CC1CN1C(=O)CCC,1,GDB ChEMBL
149929,C#CC1CC2C[NH2+]C(CC)CC1C2CC(C)C,0,GDB ChEMBL
53041,CC1(C[NH3+])NC(=[NH2+])OC1(C)C([NH3+])C(=O)[O-],0,GDB ChEMBL
29439,CCCC1=CCC(CC)(CC)CC1C,1,GDB ChEMBL
48199,C#Cc1c(OCCCC[NH3+])nc(Cl)c(Cl)c1N,0,GDB ChEMBL
113580,CC1Cc2cscc2CC1C,1,GDB ChEMBL
203139,CCCC1(CC(C)(C)C)C(C)CC(C)CC1C,0,GDB ChEMBL
173708,O=CN1CC(=O)NC(=O)NC(=O)C1,1,GDB ChEMBL
390069,CC(CC1([NH3+])CC1O)C(N)=O,0,GDB ChEMBL
155155,CNC1C2CCC1C(C)[NH2+]2,0,GDB ChEMBL
30311,O=CNC(CO)CNc1nc[nH]n1,1,GDB ChEMBL
58966,COCC(NC(N)=O)c1nnn(C)n1,1,GDB ChEMBL
295872,CC([NH3+])COC(N)=N[C-](C#N)C(N)=[NH2+],0,GDB ChEMBL
304319,NS(=O)(=O)CCNc1nc(C2CC2)no1,1,GDB ChEMBL
163879,Nc1c(I)ccc2ncsc12,1,GDB ChEMBL
375132,CN(C)c1c(NCC(=O)[O-])noc1N,0,GDB ChEMBL
79586,C[NH2+]CCC1OCC2(C)CC1C(C)[NH2+]C2CO,0,GDB ChEMBL
330330,CCC1c2ccc(Cl)cc2C(C)[NH2+]C1C,0,GDB ChEMBL
366052,CCCC1(C)CCC(CO)C1CC(F)(F)F,1,GDB ChEMBL
71997,C#CCN1CCOC2(C)CC(C)OC2CC1=O,0,GDB ChEMBL
43920,CC1CC(O)C(CN(C=[NH2+])CCC#N)[NH2+]1,0,GDB ChEMBL
339101,COCCc1cc(F)cn2c(C)cc(C#N)c12,0,GDB ChEMBL
29261,CCC(C[NH2+]C)C(C)C1([NH3+])CC2COC1C2O,0,GDB ChEMBL
321817,CCN1CC1C1(C)C2=CCCC2CC1OC,0,GDB ChEMBL
92328,C#CC1COC(C)CC(O)C1C(O)C[NH2+]C,0,GDB ChEMBL
369315,CC1=[NH+]CCN1CC1CC1,0,GDB ChEMBL
263981,CCCC1(C)C2CCC1(C(C)OC)CCC2C,0,GDB ChEMBL
252667,C[NH2+]C1CC2(C)C(C)CCC2C1C,0,GDB ChEMBL
277455,C#CC1Cc2cccc(C(C)(C)C)c2C1,1,GDB ChEMBL
352637,NC(=O)CC(C1CN1)C1C[NH2+]1,0,GDB ChEMBL
258011,CCCC12CC(O)CC1(N)C2[NH2+]C,0,GDB ChEMBL
301436,C[NH2+]Cc1c(F)c(N)cc2c1C(O)CC2(C)[NH3+],0,GDB ChEMBL
366730,CN(C)C1(C)CC(CO)[NH2+]C1CN,0,GDB ChEMBL
7793,COCC(C)([NH3+])C1CCC(C(C)[NH3+])C1,0,GDB ChEMBL
240392,COC1CCOC1(CO)CO,0,GDB ChEMBL
120002,CC(C)(C)C[NH2+]C1(C)CC=CCC=CC1,0,GDB ChEMBL
218557,CN=C1CN(C(C#N)C(=O)[O-])C(=[NH2+])N1,0,GDB ChEMBL
66749,O=C1CCn2c(cc3c2C[NH2+]CC=C3)CN1,0,GDB ChEMBL
321999,C#CC[NH+](C)CCC1C=CC(C)(N)C1[NH3+],0,GDB ChEMBL
201430,CC(C[NH3+])NC(=O)CNc1c[nH]nn1,0,GDB ChEMBL
188130,CC1(C2(C)CC3CCOCC(C3)C2)CC[NH2+]C1,0,GDB ChEMBL
280798,N#CCNC1CC2C3CCCCCC3C2C1,0,GDB ChEMBL
271790,C=C1CC=CC(CC)C1[NH+](C)CC,0,GDB ChEMBL
366538,CC1C[NH2+]CCCC2NS(=O)(=O)C3C(O)C123,0,GDB ChEMBL
366529,CNC(COC)C(COC)[NH+]=CN(C)C,0,GDB ChEMBL
252849,Cn1c(C#CC2CC2)nc2c(O)ccnc21,1,GDB ChEMBL
383948,CCC(C)C1CCC(C)C(C2CC2)[NH2+]C1C,0,GDB ChEMBL
29939,CCOCC(N)(C(N)=[NH2+])C(N)=O,0,GDB ChEMBL
83556,NCC1C(N)C(C(=O)[O-])N1C(N)=[NH2+],0,GDB ChEMBL
197464,CC(CO)OCC(=O)N1CC=CC1=O,1,GDB ChEMBL
188487,COCCC1N=C(CN(C)C)N(C(=N)N)C1=O,1,GDB ChEMBL
325870,[NH3+]CCCN=C1OC(=O)NC1CC1=[NH+]CCN1,0,GDB ChEMBL
137438,CCCCC1C2C=CCC1C1OC21,0,GDB ChEMBL
38902,CC1(C)CNc2ccc(CCO)c(F)c2NC1,1,GDB ChEMBL
7785,NC(=[NH2+])NC(CO)C1N2CCC1(CO)C2,0,GDB ChEMBL
274959,CC1CC(C)c2ccc(I)cc2C(C)C(C)C1,0,GDB ChEMBL
117354,CCC1C[NH+]2CCCC3C2C13C,0,GDB ChEMBL
84211,CC(C)([NH3+])C(=O)N1C2CC=CCCC1C2,0,GDB ChEMBL
291516,CCC1CCC=CC(C)CC(C2CC2)C1C,0,GDB ChEMBL
204329,O=C1[N-]S(=O)(=O)c2c1ccc(O)c2[O-],0,GDB ChEMBL
222890,C[NH2+]C1CC(O)C(=O)NCC2(COC2)C1,0,GDB ChEMBL
170272,CN=C1NC(N)=[NH+]C(CC(N)=O)CO1,0,GDB ChEMBL
127257,CC1CCNC(=O)C(CO)C12OCC2=NO,0,GDB ChEMBL
304655,CCCC(C#N)(NC)C(=O)[O-],0,GDB ChEMBL
66128,CCOc1ccsc(NC)nc(N)cn1,0,GDB ChEMBL
61727,CCC1=C(C)c2c(Cl)ccc(C)c2CC1C,1,GDB ChEMBL
110194,NC1C2NC(=O)C(C3CC3)NS(=O)(=O)C12,0,GDB ChEMBL
43960,CCc1cn(CC#N)c(N)[nH+]1,0,GDB ChEMBL
225166,CCCC1C2NC(=O)C(O)C1([NH3+])CC2C(=O)[O-],0,GDB ChEMBL
203173,C#CCCc1sc(C)cc1C,1,GDB ChEMBL
91231,CC1CC2[NH2+]CC(CC2O)C(C)C1=O,0,GDB ChEMBL
67879,COC1C(O)CC2CC1C[NH+]2C,0,GDB ChEMBL
8723,CC(O)C(CO)C(CO)C(C)O,1,GDB ChEMBL
355434,CCCCC1C2C([NH3+])CCNC(=O)N12,0,GDB ChEMBL
262303,CCC1C(C)C(C)C2C=C(C)CC21C,0,GDB ChEMBL
265305,CC1CC(n2cnnn2)C(O)C1O,1,GDB ChEMBL
61896,Nc1cnn(Cc2nccc(=O)[nH]2)c1,1,GDB ChEMBL
315292,[NH3+]CC1CC(CO)(C(=O)[O-])NC(=O)C1O,0,GDB ChEMBL
21838,C#CCCCC([NH2+]CC)C(C#CC)NCC,0,GDB ChEMBL
308327,CC1=CCCCC(C)C=CC1O,1,GDB ChEMBL
354995,O=COC(C=O)CNc1cc(F)ccn1,1,GDB ChEMBL
65891,C#CC([NH3+])C(C)c1nc(C)cc(CCCC)n1,0,GDB ChEMBL
296277,CC12C(O)C1CC1COCC[NH+]12,0,GDB ChEMBL
389359,CCOCC1C(C)CC2C[NH+](C)C21,0,GDB ChEMBL
281178,CCCN(CC#N)C(=N)C(=O)CC,1,GDB ChEMBL
214746,C#CC(C#C)([NH2+]CCO)C(C)C=C,0,GDB ChEMBL
179478,CNC(=O)c1ccc(C)c(N)c(=O)c1,1,GDB ChEMBL
126978,C#CC12CC(CCC(C(C)C(=O)[O-])O1)C2,0,GDB ChEMBL
252555,CCC1(C)CC[NH+]2CC([NH2+]1)C1CC2CC1(C)C,0,GDB ChEMBL
17098,CC(O)(CNC(N)=[NH2+])C[NH2+]C(C)(C)C,0,GDB ChEMBL
165207,CC1CNC(=O)C(CO)N=COC(=O)O1,1,GDB ChEMBL
378927,CC(=[NH2+])NC(N)=[NH+]CC(O)CNC=O,0,GDB ChEMBL
58963,CCOC(=O)[N-]c1n[nH]c(=N)s1,0,GDB ChEMBL
85871,CCC(COC(C#N)C(=O)[O-])S(N)(=O)=O,1,GDB ChEMBL
378139,NC(=O)C1[NH2+]C2C(C3CC3)C2(O)C1O,0,GDB ChEMBL
379900,CC1CCCC(C)C(C2CC2(C)C)O1,0,GDB ChEMBL
247511,CC1C[NH+](C)C2CC(CCO1)CCC2C[NH3+],0,GDB ChEMBL
29442,COCC(CO)(CCO)C1CC(C)NCC1=O,0,GDB ChEMBL
383106,NC1=NCC2OC(=O)C2C(=O)N1,1,GDB ChEMBL
338385,C#CCC(CC)C1C=CCC1CCC,0,GDB ChEMBL
169089,CC1OCOCC1O,1,GDB ChEMBL
280612,C#CCC(C[NH2+]C)(C(=O)NC)C(C)O,0,GDB ChEMBL
314150,CN1C(C[NH3+])C(O)C2OC(=[NH2+])NC2C1C(=O)[O-],0,GDB ChEMBL
118439,CC1Cc2ncnn2C1,1,GDB ChEMBL
134768,CC1OCC(C(F)(F)F)C1C[NH3+],0,GDB ChEMBL
95544,C=CCc1nc(N)ncc1C(N)=[NH2+],0,GDB ChEMBL
120868,C1C[NH+]2CCC3(CC4C1C4C3)C2,0,GDB ChEMBL
390512,CCCC1C(C)[NH2+]CC1OC,0,GDB ChEMBL
191289,CC[NH2+]C1CS(=O)(=O)C(=O)[N-]C1=O,0,GDB ChEMBL
197491,N=C1CCCN1C(=O)NCC(N)=O,1,GDB ChEMBL
330160,O=C1CCNc2c[nH]nc2N1,1,GDB ChEMBL
64308,C#CC1([NH3+])Cc2ccc(Cl)cc2CCC1CC,0,GDB ChEMBL
71650,Cn1cc(C([NH3+])C(O)COCC#N)nn1,0,GDB ChEMBL
136492,C#CC1Cc2cccc(C3CC(C)C3)c2C1,1,GDB ChEMBL
7425,C#CCC(O)CN(C)C1C[NH2+]C1,0,GDB ChEMBL
81783,CN1C(=O)OC2CC(O)C(c3nn[n-]n3)C21,0,GDB ChEMBL
348693,CC1C2CC[NH+](C)C3CC3C(O2)C1C,0,GDB ChEMBL
254862,C[NH2+]CC12CCC(O)CC(CC1C=O)O2,0,GDB ChEMBL
241099,C[NH2+]CC(N)c1sccc1CCCC(C)OC,0,GDB ChEMBL
61944,COC1CCCC2OCC=C2C1(C)C,0,GDB ChEMBL
243880,CC(O)C(O)C1C=CCCCC1,1,GDB ChEMBL
291865,C[NH+](C)CCC[NH2+]CCOC=Nc1cnco1,0,GDB ChEMBL
296368,C#CCC1C(C)C[NH+](CC)C1C(C)N,0,GDB ChEMBL
34784,CC([NH3+])(CC1(C(CO)CC#N)CC1)C(N)=O,0,GDB ChEMBL
372102,CC(=O)NCC1=CCC(=O)C12CC2,0,GDB ChEMBL
210173,C=CC1C2CC(CC)C[NH2+]C(C)C12,0,GDB ChEMBL
147548,CCCOCc1nc(N)cn1C1CC(=O)C1,0,GDB ChEMBL
304411,NC(=O)CCCC1CC2NC=NC2C(=O)N1,0,GDB ChEMBL
18892,COC1C2CC3CC=CC1[NH+]3C2,0,GDB ChEMBL
173674,C#Cc1c(C)cc(C)c(C(C)C)c1C#C,1,GDB ChEMBL
146905,C#CCC(C)c1cc2c(C)c(Cl)cc(C)c2[nH]1,1,GDB ChEMBL
96037,CC(CN(C)C(=O)C=O)[NH2+]CCS(=O)(=O)[O-],0,GDB ChEMBL
190137,C#CC(C)CCCCC(C)CCCC,1,GDB ChEMBL
103520,CC(CNS(=O)(=O)OCCO)NC=O,1,GDB ChEMBL
53018,CCC#CCC(C)(O)CNC(=O)C(C)[NH3+],0,GDB ChEMBL
169108,N#CC1C(O)C1S(=O)(=O)[N-]C(=O)CN,0,GDB ChEMBL
374333,CC([NH3+])C(C(C)O)C1(N)C([NH3+])C1CC(=O)[O-],0,GDB ChEMBL
354775,[NH3+]C1CC[NH+]2CC=CCC(C1)C2,0,GDB ChEMBL
160852,CN1C(=O)NC2C(O)C(C#N)C21,0,GDB ChEMBL
180855,C#CC12CC(C)c3c(F)ccc(c31)CC[NH+]2C,0,GDB ChEMBL
390099,CC[NH2+]CC1(C)C(=NO)CC1OCC(C)C,0,GDB ChEMBL
190407,COC(=O)C1=CN2C(C([NH3+])CO)C2C1C[NH3+],0,GDB ChEMBL
338840,CC1(O)CC2CC1C(=O)N2C1CS(=O)(=O)C1,1,GDB ChEMBL
304830,COCCC1OC(=O)C2C(N)C([NH3+])C(C)NC12,0,GDB ChEMBL
17434,CCOC1CCC(O)C2CC12,1,GDB ChEMBL
294459,CN(c1ncn[nH]1)C(CC#N)CCCC[NH3+],0,GDB ChEMBL
371691,CN1C(=N)C(CO)C(O)C1=O,0,GDB ChEMBL
234427,N#CC1CNC(C(O)C(N)=O)CN1,0,GDB ChEMBL
118392,C#CC#CC(C)n1cc(C(F)(F)F)cc1C,1,GDB ChEMBL
13126,C#C[C-](C=O)C(=O)C(=O)N(C)C,0,GDB ChEMBL
208363,CNC(=NCC(C)=O)N[C-](C#N)C#N,0,GDB ChEMBL
352162,NC(=[NH2+])NC(=O)N1CC(=O)N2CC2(CO)C1,0,GDB ChEMBL
204398,CNC(=O)Cn1nc(NC)cc1C(N)=O,1,GDB ChEMBL
161039,CN1CC(=O)C(Cn2cnc(N)n2)CCC1=O,1,GDB ChEMBL
396074,[NH3+]CC#CC(O)c1cccc(F)c1C[NH3+],0,GDB ChEMBL
263470,CC1([NH3+])C(O)CC2CC1(C[NH3+])OC(=O)N2,0,GDB ChEMBL
76051,O=CC1(CCO)CCS(=O)(=O)NC1,0,GDB ChEMBL
117313,C[NH2+]C1CCC2(C(N)=O)C(C)C12,0,GDB ChEMBL
84930,C[NH2+]C(C(N)=O)C1(C(O)C(=O)[O-])COCC1O,0,GDB ChEMBL
17108,C#CC1(COC)CCC(CC(C)(C)C)CC1,1,GDB ChEMBL
366774,COCC1=CCC[NH2+]C(C)C2CC1C2,0,GDB ChEMBL
68650,CC1C(O)C(=O)OC2C[NH+]=C(N)NC21,0,GDB ChEMBL
76987,CC1(C(N)=O)NC2C(=O)OC1C2(C)CO,0,GDB ChEMBL
186062,C[NH2+]CC(N)c1ccc(Cl)cc1Cl,0,GDB ChEMBL
325910,CC(O)C(=O)C1CNC(=O)CC1CC#N,0,GDB ChEMBL
180802,CC1C[NH+](CCC(C)(C)C#N)CC2CC12,0,GDB ChEMBL
34365,CNC(=O)CC1(C[NH3+])CC1C,0,GDB ChEMBL
203754,O=CNCCn1ccncc1=O,1,GDB ChEMBL
238034,CC#CCC(C)CC(C)C(=O)CCC(C)C,1,GDB ChEMBL
150091,CC1Cc2cccc(I)c2C(C)C1,1,GDB ChEMBL
239348,CC(C)C1C2C[NH2+]CCOC21,0,GDB ChEMBL
181604,O=C1COCC(C2C[NH2+]C2C(=O)[O-])O1,1,GDB ChEMBL
308318,CC1CCCOC(=O)C(c2cnsn2)CC1,0,GDB ChEMBL
259453,N#CC1CCC(C(CCO)CCNC(N)=O)O1,0,GDB ChEMBL
47747,CC1[NH2+]CC1CC([NH3+])CO,0,GDB ChEMBL
142911,CC(C)CC1CCCC2CC(CCC2(C)C)C1,0,GDB ChEMBL
358525,CC1=CC([NH3+])C(NC(N)=O)CC(=O)N1,0,GDB ChEMBL
247633,CCNC(C(=O)CC)C(C)(C)C#N,1,GDB ChEMBL
259486,C#CC1C(=O)CC2C(C)C=CC(O)C2N1C,0,GDB ChEMBL
203621,CCCC([NH3+])C1(C(=O)[O-])CN1,0,GDB ChEMBL
156737,CC1CCC2=CCCC(=O)C21,1,GDB ChEMBL
201705,CC1C=CC2CCC(CO2)CC1C#N,0,GDB ChEMBL
292962,CCCCC1CCC2(C)C=CC(C)C12,0,GDB ChEMBL
254976,CCCC1C[NH2+]C2C(O)C2C1C,0,GDB ChEMBL
137412,COC1(CC=O)CNC(=O)COC1C(N)=O,0,GDB ChEMBL
375566,CCC1(C)CC(C2CCCCC2)C1,1,GDB ChEMBL
201173,CC(=[NH2+])NCCC1CC[NH2+]CCC=CC1=O,0,GDB ChEMBL
125684,O=C1CCC(C2CC2)C2CC2O1,0,GDB ChEMBL
127184,CC#CC1CC2C(C)C1C[NH+]2C,0,GDB ChEMBL
64638,CCN(CC)c1n[n-]cc(C(N)=[NH2+])c1=O,0,GDB ChEMBL
312883,[NH3+]C1CNC2C(=O)NC1C2(O)C1CCC(=O)O1,0,GDB ChEMBL
46886,CC(C)(O)CCC1NC(=O)C(CC#N)=C1N,0,GDB ChEMBL
99682,CC1(C)CCC2CC(=O)OC(C(=O)[O-])C21,0,GDB ChEMBL
296391,[NH3+]Cc1c[nH]c(OCC(=O)[O-])n1,0,GDB ChEMBL
386583,CN(C=O)C(=N)OCC(O)C(O)CO,1,GDB ChEMBL
271827,CC1C2CC[NH+]1CC1C([NH3+])C1C2,0,GDB ChEMBL
354837,C#CC1=CC(C2[NH2+]CCC2C)CC1,0,GDB ChEMBL
191731,CC1CC(O)C(O)C(=O)C(O)C1NC(N)=O,0,GDB ChEMBL
382513,CCC(CC)c1cscn1,1,GDB ChEMBL
316107,CC(=O)NC1CC(N(C)C=[NH2+])C1,0,GDB ChEMBL
195363,CC(CC(O)C(=O)[O-])S(C)(=O)=O,1,GDB ChEMBL
298926,CCC(C)(O)C1CCC(C#N)(NC)C(=O)CN1,0,GDB ChEMBL
87642,[NH3+]C1C=CC(C(=O)[O-])CCC1,0,GDB ChEMBL
288951,O=C([O-])C1N2C13COC(CO)C3CS2(=O)=O,0,GDB ChEMBL
352179,CC(C)(C#N)NC1C=CCCCCC1,1,GDB ChEMBL
394232,C#Cc1cc(OC)c2c(C)c(I)cc(N)c2c1,1,GDB ChEMBL
319838,N=COCC(CCO)[NH2+]CC(=O)[O-],0,GDB ChEMBL
228395,CCOC(=O)C(C)C1NCCC(O)C1(C)[NH2+]C,0,GDB ChEMBL
124865,C[NH+]1CC2CC(C1)C2C(C)(CO)CC#N,0,GDB ChEMBL
157480,[NH3+]CCOc1cc(Cl)ccc1NCC1CN1,0,GDB ChEMBL
385471,CC1C2C3C(O)CC(N32)C1(C)CC(=O)[O-],0,GDB ChEMBL
28164,C[NH2+]C1(C)COCCC1C1C[NH+](C)C(C)CN1,0,GDB ChEMBL
47781,CC1C[NH2+]CC(=O)NC(=NCCNCC#N)C1,0,GDB ChEMBL
75474,CCOC(C[NH3+])(C(=O)[O-])C1(C)CC(O)CC1O,0,GDB ChEMBL
9924,NC(=[NH2+])Nc1nc(N)c(CC[NH3+])s1,0,GDB ChEMBL
5898,COCC(C)(O)c1cc(NCCO)n[nH]1,1,GDB ChEMBL
198689,CCCCC1(CC(C)(C)C)N=C(N)N(C)C1=O,0,GDB ChEMBL
208236,CNS(=O)(=O)CC#CCOC(C)C,1,GDB ChEMBL
122880,CC1Cn2ncc3c2C1C(=O)OC3,0,GDB ChEMBL
248678,CCC1OCC(=O)OC12COC2,0,GDB ChEMBL
121468,CC#CC(C)CC#Cc1ccccc1C,1,GDB ChEMBL
379198,CC(=O)N(C)C=Nc1sccc1C[NH3+],0,GDB ChEMBL
372225,CC(C)C1C[NH2+]Cc2occc21,0,GDB ChEMBL
356859,Clc1ccccc1C1C=C(C2CC2)CCC1,1,GDB ChEMBL
348811,COC(=O)C(C#N)OCC(O)COCCC#N,1,GDB ChEMBL
94688,CC1CCC2CC([NH3+])C(O)C1O2,0,GDB ChEMBL
354987,C#Cc1cc2c(C(C)(C)C)cnc(C)n2n1,0,GDB ChEMBL
84934,Nc1ccc(Cl)c(C=O)n1,1,GDB ChEMBL
31823,CCC[NH+](C)CCC(C)C1(C)CC(=[NH2+])N1,0,GDB ChEMBL
21504,CNS(=O)(=O)CC1C(=O)CC2OC21,0,GDB ChEMBL
172344,CCC1C2C=CC1Cc1cc(C)ccc1C2,0,GDB ChEMBL
222880,CC(C)(C)NC(=O)N1C2CNC(=O)C([NH3+])C21,0,GDB ChEMBL
395977,COC1CC(C)N=C1N(C)C(C)(C)CO,0,GDB ChEMBL
294448,CC(C)C(C)CC1CCC(C(C)(C)C)C1C[NH3+],0,GDB ChEMBL
7410,CC(C#N)NCCCCOC(=O)CN,1,GDB ChEMBL
285091,COCCCC1CNC(C=O)C(=[NH2+])N1,0,GDB ChEMBL
351420,NCC1[NH2+]CCC1C(=O)[O-],1,GDB ChEMBL
93141,CCC(C)C(C)CCC1OC(C)CC1C,1,GDB ChEMBL
204545,CCC([NH3+])C1C(=O)OC2(C)C1C2(O)CO,0,GDB ChEMBL
301443,O=C([O-])CCC1C2OC(=O)C(C(F)(F)F)C12,0,GDB ChEMBL
354876,C[NH2+]CC1(O)CC(O)C2C(CCO)CCC2C1,0,GDB ChEMBL
254202,CC1CC1CC1CCC2CC[NH2+]C(CC1)C2,0,GDB ChEMBL
289982,CC(=O)NC1C=C(C2COC2)C2CC12,0,GDB ChEMBL
119292,CNC(=[NH2+])CN1CC(C)COC(=O)CC1=O,0,GDB ChEMBL
117385,CCC1CCC(C2CC2)C2CCCCCC12,0,GDB ChEMBL
135442,CCCC(C)C1C(C)c2ccn(C)c2C1(C)O,0,GDB ChEMBL
319190,COC(=O)C12CC(CCC1=O)CN2,0,GDB ChEMBL
188127,CC1(C)CCCCC2CC3CC(C3)CC21,0,GDB ChEMBL
318103,CC1C(C)([NH3+])C1(CC[NH3+])C(O)CO,0,GDB ChEMBL
33529,N=C1C=C(C(=O)[O-])CC(C(N)=O)O1,0,GDB ChEMBL
25128,C[NH2+]C1CC1OC(C)(C)C(C)C(C)O,0,GDB ChEMBL
137065,COC(=O)N1CC([NH3+])C2OC2C1=NCCO,0,GDB ChEMBL
358567,C=CCC1(C)CC2C3C[NH2+]C1CC32,0,GDB ChEMBL
220174,CC1[NH+](CCO)CCNCC(CO)OC1(C)C,0,GDB ChEMBL
199448,CC12C[NH2+]C3C(O)C(CC(=O)[O-])N1C32,0,GDB ChEMBL
355815,COCC1(OC)CCNC(=[NH2+])CCC1O,0,GDB ChEMBL
140282,NS(=O)(=O)C1C2C(CO)CC([NH3+])C(=O)N21,0,GDB ChEMBL
141709,NC1=NC(C(=O)[O-])C2(O)COC2C(CO)O1,0,GDB ChEMBL
116582,N#CC(C=O)N=C(N)S(=O)(=O)N1CCCC1,0,GDB ChEMBL
307472,CN1CC([NH3+])C1CNC(=O)CO,0,GDB ChEMBL
95611,CC1CCOc2ncsc2C1,0,GDB ChEMBL
345455,C[NH2+]C1CCC(C)(C)C1(O)C(N)=O,0,GDB ChEMBL
5845,O=C1NCC2C3CCC1C32,1,GDB ChEMBL
197089,CC1CC2CC(C)(O)C(C)CCCC1[NH2+]2,0,GDB ChEMBL
362831,CC1CC2CC1C(C(F)(F)F)N2,0,GDB ChEMBL
377978,C[NH2+]C(C)CC1C(C)CCCC1C,0,GDB ChEMBL
9910,N=C1NC(C(N)=O)C2(CC2)C(O)CO1,0,GDB ChEMBL
93734,CC(O)c1c(N(C)CC(=O)[O-])c(=N)cnn1C,0,GDB ChEMBL
188068,CC(O)C1(C)CN(C)C(=O)NCCC(=[NH2+])N1,0,GDB ChEMBL
112572,C#Cc1c(F)nc(NC=NCCC)nc1OC,1,GDB ChEMBL
180031,C=Cc1cccc2c1CC(=C)CC2,1,GDB ChEMBL
186672,COC(CO)Cn1cc(O)nc1N,1,GDB ChEMBL
13156,CC(=O)Nc1n[nH]nc1NC(=O)C1CCCO1,1,GDB ChEMBL
296354,CCCC1COC(C(C)C(O)C(C)O)O1,1,GDB ChEMBL
375570,CCCCC1C2CCC1(C)C(C)(CC)C2,0,GDB ChEMBL
127232,C[NH+]=C1NCC2(C)OC(=O)C1CC2C,0,GDB ChEMBL
305777,CCOCC1[NH2+]C2(CO)C(O)C2(OC)C1O,0,GDB ChEMBL
157716,N=COCc1nc(CCCNC(N)=[NH2+])c(N)s1,0,GDB ChEMBL
45060,COC(=O)N(C)C(C)(C)C(C#N)S(N)(=O)=O,0,GDB ChEMBL
223564,C[NH+]=C(CCC(C)(C)[NH3+])NC(CO)CO,0,GDB ChEMBL
391309,CC1CCCC2CC3[NH2+]CCC=CC3(C)C12,0,GDB ChEMBL
198652,C#CCCC(c1cccc(Cl)c1)C1CC1,1,GDB ChEMBL
6497,CC1CC2C3[NH+]1CCN(C)CC23C,0,GDB ChEMBL
269367,CC(=O)OC1(C[NH3+])CC2C(O)C1N2C(N)=[NH2+],0,GDB ChEMBL
85804,C#CC1C(C)CC2CC([NH+](C)C)C1(CCC)C2,0,GDB ChEMBL
398934,C#CCc1noc(COCCC)n1,1,GDB ChEMBL
250637,CC(C)OCCc1ccnc(CC#N)c1,1,GDB ChEMBL
223519,CN(C(=O)C(O)CO)C(N)=NCC(N)=O,1,GDB ChEMBL
309800,CC1CC2OCC(O)(C1[NH3+])C2O,0,GDB ChEMBL
362799,CNc1cc(O)c(Cl)cn1,1,GDB ChEMBL
236627,O=C1NC(CO)C2C(=O)C3CC3CC12,0,GDB ChEMBL
124170,CCC#Cc1c(C)c(F)nc(C)c1NC,1,GDB ChEMBL
115264,CC1(C)CC([NH3+])(CO)C(CC#N)(C(F)(F)F)C1,0,GDB ChEMBL
195572,CCN=COC(CC)(CNC(C)=O)C(=O)[O-],0,GDB ChEMBL
292927,COC1C(CC#N)C1C(C)[NH3+],0,GDB ChEMBL
352573,C#CC1=CC2C[NH+](CCC=C1)CCC2CC,0,GDB ChEMBL
290167,N#CC1NC(C#N)C2C1N2C(N)=[NH2+],0,GDB ChEMBL
320280,CN1CC(=NO)CCOCC(O)C1=O,1,GDB ChEMBL
386584,CS(=O)(=O)NCC12CC1NC(=O)C2=O,0,GDB ChEMBL
351361,COC(=O)C(O)C1CC1(C)O,1,GDB ChEMBL
76409,CC(O)COc1cc([O-])c([N+](=O)[O-])c(C#N)n1,0,GDB ChEMBL
167306,O=C1c2conc2CC2C(C3CC3)N12,0,GDB ChEMBL
48210,CCCOC1CN2C3CCC(O)(C3)C2(C#N)C1,0,GDB ChEMBL
374063,NCC1[NH+]=CNC1CC(N)=O,0,GDB ChEMBL
369843,NC(=O)C1(C2C=CCS(=O)(=O)N2)COC1,0,GDB ChEMBL
366031,CC(O)C(C#N)NC1CS(=O)(=O)C1,1,GDB ChEMBL
8644,CC1C2CC(NC2=O)C1C(C)(C)C(O)C=O,0,GDB ChEMBL
232049,CC1(C)CC(=O)NC2C[NH2+]C(CO)C1C2,0,GDB ChEMBL
155170,CCCC1=CCC=CCC(C)CC=C1,0,GDB ChEMBL
140798,CCCN(C)C(=[NH2+])C(C=O)CCc1ccno1,0,GDB ChEMBL
205813,CNC(=[NH2+])Oc1cc([N+](=O)[O-])cc(C#N)c1N,1,GDB ChEMBL
147856,CC1CC(=O)C2C=CC(O)CC(C)C12,0,GDB ChEMBL
26392,COC1CC2CC=CC(C)C1C2,0,GDB ChEMBL
318351,CCC12CC1(C)CNC2=O,1,GDB ChEMBL
89694,COC(=O)NC1(C#N)CC1c1cn[nH]c1,1,GDB ChEMBL
17622,CC(C)C(=O)N1C(=N)C(CO)CS1(=O)=O,0,GDB ChEMBL
183427,CCc1ccc(CC#N)c(Br)c1NC=[NH2+],0,GDB ChEMBL
261461,CC1CC23CCCC2[NH2+]CC1CO3,0,GDB ChEMBL
74305,CCC1C2C=CC3C2COC(C)C31,0,GDB ChEMBL
107791,CC1NC(=O)C2(C)CC(O)C=C12,0,GDB ChEMBL
130231,[NH3+]C12COC(=O)C3NCC(C(O)C1)C32,0,GDB ChEMBL
375479,CC[NH2+]C(C)CC(C)OC(=[NH2+])N1CC(O)C1,0,GDB ChEMBL
71442,CC([NH3+])C1CC2([NH3+])CC[NH+](C)CC2C1O,0,GDB ChEMBL
99810,CN1C(N)=[NH+]C23CC(C(N)=O)CC2(C)C13,0,GDB ChEMBL
61831,c1cc(Nc2ncnnn2)ccn1,0,GDB ChEMBL
358138,CN1CC2[NH2+]CC3C(O)C2CC31,0,GDB ChEMBL
175527,CC1=CC[NH+](C)CCC1C1COC1C,0,GDB ChEMBL
220184,NC(=[NH2+])NC(=O)NC1C=CC(O)C1,0,GDB ChEMBL
396076,C[NH2+]CCC#CCCCCO,0,GDB ChEMBL
197081,CC12CC(CC([NH3+])(C(=O)[O-])C1O)C([NH3+])C(=O)O2,0,GDB ChEMBL
255355,CC1(O)CC(C(N)=O)N2CC(O)C21,0,GDB ChEMBL
292571,C[NH+]1CC2CC1C1C=CC(C)(C)CCC21,0,GDB ChEMBL
174905,CCC(C)CC(O)C(C)C(C)(C)C,1,GDB ChEMBL
41592,C#CC1CC1C(CCC(C)C[NH3+])C(C)OC,0,GDB ChEMBL
146917,CCCC([NH3+])c1ncc(C2CC2)nc1Cl,0,GDB ChEMBL
275688,COCCC(O)C1OCCOC1C(C)C(N)=[NH2+],0,GDB ChEMBL
152632,COCC([NH3+])C1NC1C(C)C[NH3+],0,GDB ChEMBL
664,C[NH2+]C(C)C(O)(C#N)C1CC1C[NH3+],0,GDB ChEMBL
369904,CN(CC(N)=O)C(CNC=O)=[NH+]CC(=O)[O-],0,GDB ChEMBL
389493,CCC(C)C1CC2(C)CC(O)(CC)CC2C1C,0,GDB ChEMBL
55504,C#CC(COCC)C1(C)CCC1,0,GDB ChEMBL
202512,COC(=O)C(CO)NCC1(C)CS(=O)(=O)C1,1,GDB ChEMBL
76751,NS(=O)(=O)CC1C[NH2+]CC1(O)CC(=O)[O-],0,GDB ChEMBL
383066,C#CC(CCC)C(C)[NH+](C)C1CCC(CC)C1,0,GDB ChEMBL
293796,NC(=[NH2+])NCC(O)C1[NH2+]C2COC1C2,0,GDB ChEMBL
330120,Cc1occ2c1C1CCC(CC1)[NH2+]CC#C2,0,GDB ChEMBL
361149,CC#CC(C)(C)OC1CCOCC1,1,GDB ChEMBL
227796,CCC(=NO)C1C[NH2+]CCC(C#N)OC1,0,GDB ChEMBL
66646,O=C([O-])CCNC=Nc1oncc1CO,0,GDB ChEMBL
342626,CCC(C(C)C)C1(C2CCCC2)CCC(C)C1,0,GDB ChEMBL
214053,CCCc1c(CC)nc(I)c2cc(C)n(C)c12,1,GDB ChEMBL
383921,CCCCCC(C)C1(C[NH3+])CC(C)C1,0,GDB ChEMBL
294439,NC(=O)NCC1[NH2+]CCC1(O)C(N)=O,0,GDB ChEMBL
340529,CCC(C)C1C2CCCCC1(C)CCC2(C)C,0,GDB ChEMBL
80314,[NH3+]C1CC(O)C(C(=O)[O-])OC2COC12,0,GDB ChEMBL
4729,CCCc1cc(S(N)(=O)=O)nn1C,1,GDB ChEMBL
339940,CC1CCCCC2(C)C3CC(CCO)C(C3)C12,0,GDB ChEMBL
172734,NC1(C[NH3+])CCC(=O)OC1,0,GDB ChEMBL
84537,CC1(C(O)CO)[NH2+]C(C(=O)[O-])C(N)C1CO,0,GDB ChEMBL
210717,C#CC(CC(N)=O)(NC)C(N)=O,0,GDB ChEMBL
317558,CC1CC=C(C[NH+](C)C)C2CC1(C)C[NH2+]2,0,GDB ChEMBL
194289,NC1CC2C=CC(OC1=O)C1C[NH2+]C2CO1,0,GDB ChEMBL
243336,C[NH2+]C1CC(C)C(C)Cc2cc(O)cc(I)c21,0,GDB ChEMBL
8720,CCC[NH+](C)CCC(C)=NO,0,GDB ChEMBL
64350,CCC1(COC)C(=O)CC1C(C)O,0,GDB ChEMBL
397925,COC(=N)n1nnnc1NCC[NH+](C)C,1,GDB ChEMBL
134477,CC(O)C(CC(C)C(C)(O)C[NH3+])NC=O,0,GDB ChEMBL
371751,CCC1(C(C)=O)C=CCC(O)C1C1CC1,0,GDB ChEMBL
304476,[NH3+]CCC1C=CC2(C(CO)C(=O)[O-])CN12,0,GDB ChEMBL
348651,CCCCCc1ccc(C)nc1C,1,GDB ChEMBL
278166,Nc1cc(=O)cccnc2cc(c1O)NC2=O,0,GDB ChEMBL
314904,C=C1CC[NH2+]C(CC(C)C)C1CO,0,GDB ChEMBL
369867,CC1CC2CC1[NH2+]C21CCCC1,0,GDB ChEMBL
273657,C#CC(CC)c1cc(C)c(Cl)c(C(C)CC)c1,1,GDB ChEMBL
314137,CC1CC2(O)C(C)CC([NH3+])C2(N)C[NH+]1C,0,GDB ChEMBL
362710,Cn1nnc(C(C[NH3+])NCC#N)n1,0,GDB ChEMBL
203435,CCC1[NH2+]C(C)C2(CCC(C)C2)CC1C,0,GDB ChEMBL
323141,CC(=O)NC(C(N)=[NH2+])C1CCO1,0,GDB ChEMBL
132285,CCC1CC2CCC(O)C1(C)OCCC2OC,0,GDB ChEMBL
387304,CCCCC(C)([NH2+]C(C)C)C(C)C(C)(C)C,0,GDB ChEMBL
79505,N#CC1NCCC2C(CC[NH3+])C12,0,GDB ChEMBL
148352,CC1C(N)C(=O)OCCN2CC(NC2=[NH2+])C1[NH3+],0,GDB ChEMBL
180949,C#CC1CCC[NH+](C)C1C(C)(C)CC(C)(C)C,0,GDB ChEMBL
348620,CC1CC=C(CO)CC1[NH2+]CC=O,0,GDB ChEMBL
386508,CCC(CC#N)N1C(=O)CC=C1C,1,GDB ChEMBL
17662,CCCCC1(C(C[NH3+])C2CC2)C[NH2+]C1,0,GDB ChEMBL
200731,Brc1cc2c3c(ccnc3c1)COCC2,1,GDB ChEMBL
249878,O=C([O-])C[NH2+]C1CC2OC1CC1OC21,0,GDB ChEMBL
129610,COc1cnc(C(CO)C(=O)[O-])n1C,0,GDB ChEMBL
50228,Cc1cc(CC[NH3+])c(F)c(C#N)c1C(C)CO,0,GDB ChEMBL
372475,N=CN(CC(N)=O)C1=[NH+]CCN1,0,GDB ChEMBL
191301,C[NH2+]C1C(COC)C1OC,0,GDB ChEMBL
366742,NC(=[NH2+])CC(O)CCS(=O)(=O)[O-],0,GDB ChEMBL
9858,CC12CC(=O)NCC=C1CO2,0,GDB ChEMBL
87686,CS(=O)(=O)NCc1nc(O)ncc1Br,1,GDB ChEMBL
114377,CCCCC1(C)COCCN1c1ncc(C)s1,1,GDB ChEMBL
377947,CC=C1C=CC(O)C(CCCO)C1,0,GDB ChEMBL
143796,CCC1CCCCCC1C1C2C=CC1CC2,0,GDB ChEMBL
191696,C#CC(C)N1CC(C)=CC1=O,1,GDB ChEMBL
352703,CC1=C(CC(C)C)C(=O)C[NH2+]CCC1,0,GDB ChEMBL
181530,COC(C)C1CC=CC(=[NH2+])N1,0,GDB ChEMBL
16749,CC(=[NH2+])NCCC12C[NH+](C1)C(C)(C(=O)[O-])C2,0,GDB ChEMBL
204667,NC(=O)c1cc(Cl)c(=O)[nH]n1,1,GDB ChEMBL
391802,CC1C2CC(OC(=O)N(C)C)C1CC2CC#N,0,GDB ChEMBL
17342,Nc1ccc2cc1COc1csc(c1)C(=O)O2,1,GDB ChEMBL
82164,C[NH2+]CCC1C=C(C#N)C(=O)NC1=N,0,GDB ChEMBL
44947,COc1nc(CC=O)c2c(F)cc(F)cc2n1,0,GDB ChEMBL
34371,CC(=O)Nc1nsc(CO)c1N,1,GDB ChEMBL
334095,O=C([O-])C1=CCC2C(CC3CC32)[NH2+]C1,0,GDB ChEMBL
359061,OCCCc1cnc(CCO)s1,1,GDB ChEMBL
144618,CCCC#CCC1(CC)CC1,1,GDB ChEMBL
221095,CC(C)CC(C)(O)C1(C)C=CC(C)C1,0,GDB ChEMBL
243384,CC1=CC=CC(C)C#CCCCCC1,1,GDB ChEMBL
107826,C[c-]1oc(=O)c(C#N)cc1=O,0,GDB ChEMBL
140109,CN=CNC(=O)Oc1nccc(F)c1O,1,GDB ChEMBL
179334,CC1COC2C(C)[NH2+]C(C)C2C1,0,GDB ChEMBL
334041,C[NH2+]CC(C)N(C)c1ncnc(C)c1N,0,GDB ChEMBL
372511,CC(C)N(C)c1c(C(N)=O)csc1C(N)=O,1,GDB ChEMBL
316266,COC1CC2(CC#N)CC1CC2C,0,GDB ChEMBL
87696,CCNC(=O)C1CC2=CCCCC21,0,GDB ChEMBL
286164,CC1CC(O)C(=O)CCC1=O,1,GDB ChEMBL
53661,N#Cc1ccsc(=NCc2ccc(F)cc2)n1,0,GDB ChEMBL
238189,CCC1=CCCCC(C)CC1CC(F)(F)F,1,GDB ChEMBL
12803,C#CCCC(C)c1cc(Cl)c(CC)c(C#C)c1,1,GDB ChEMBL
109197,CC1CC23C4C1CN(C(=O)N2C)C43,0,GDB ChEMBL
292958,C#CC1C2CCCC(C2)CC1(C)CCCCC,0,GDB ChEMBL
274117,CC1OC2(CC2)C(C)NC1(C)C[NH+](C)C,0,GDB ChEMBL
283989,CCCC1CC2[NH2+]CCC23CC(C)CC(O)C13,0,GDB ChEMBL
18862,CCCC(C)CCCC1CCCCC1,1,GDB ChEMBL
277981,COC1(CO)C=C(CS(N)(=O)=O)C(O)C1,0,GDB ChEMBL
165952,CC(O)C1C2CC(C(C)(C)C)C1(C)C[NH2+]2,0,GDB ChEMBL
321965,[NH3+]CCc1onc(CO)c1CO,0,GDB ChEMBL
41631,[NH3+]CC1CCC(=O)N1C=O,1,GDB ChEMBL
6552,CC(C)C1[NH+]2CC(C3CC2CN3)C1(C)C,0,GDB ChEMBL
22585,N=C1NC(=O)CC1C(O)C(=O)[O-],0,GDB ChEMBL
280330,CC(O)C1CC(O)C2CC(O)CC1[NH2+]2,0,GDB ChEMBL
350292,CCCCCC1(C)CCC(C)CC(C)C(C)C1,0,GDB ChEMBL
372597,CNC(=O)CN(C)C(=O)CC1OC1C=O,1,GDB ChEMBL
138411,CCCC(CCC)C1CCC=CC[NH2+]1,0,GDB ChEMBL
73843,COc1c(O)c(C(N)=[NH2+])c(C)n1CC#N,0,GDB ChEMBL
153228,C#CCn1cccn1,1,GDB ChEMBL
34149,NC(=[NH2+])N1CC(C=O)C1CO,0,GDB ChEMBL
288612,CCC(O)(CCCC[NH3+])C1CCCCC(=O)O1,0,GDB ChEMBL
301517,CC1CC2(CC[NH3+])CC1CC2CO,0,GDB ChEMBL
78234,[NH3+]CCNCc1ncc[nH]1,0,GDB ChEMBL
334111,CC1NS(=O)(=O)C(C([NH3+])CO)C1C(=O)[O-],0,GDB ChEMBL
44679,CC(C[NH3+])OC(=O)[C-](C#N)C1COCC(C)O1,0,GDB ChEMBL
104351,C[NH2+]C(CCO)C(C)C(O)S(N)(=O)=O,0,GDB ChEMBL
317593,CNc1nc(N(C)C)c2cc(Cl)nnn12,0,GDB ChEMBL
162874,CCC[NH+]1CC2CC1c1c2cc(Cl)c(Cl)c1[O-],0,GDB ChEMBL
24541,C#CCc1ccc(C(C)C)cc1CC1CC1,1,GDB ChEMBL
277439,C#Cc1ccc(C#N)ccc(O)c(C)cc1,0,GDB ChEMBL
361014,CCCC1CC(CC(N)=O)[NH+]=CN1,0,GDB ChEMBL
62815,CCC(CCCC(C)(C)[NH3+])C1CNC(=[NH2+])N1,0,GDB ChEMBL
368213,CC(C=O)C(C)N=CNC(=O)CCNC(N)=O,0,GDB ChEMBL
304346,NC(=[NH2+])NCC1(O)C2C(O)CCC21C=O,0,GDB ChEMBL
316171,C[NH+]1CCC2CCC(C)([NH3+])C(C#N)CCC2C1,0,GDB ChEMBL
250642,CN(C=O)CC(=O)CCN1CCCS1(=O)=O,1,GDB ChEMBL
169495,COCC(C)[NH2+]CC#Cc1n[n-]c(=N)o1,0,GDB ChEMBL
255483,CCCC1CC=C(C)C(C(C)C)C1[NH3+],0,GDB ChEMBL
215287,C[NH2+]C(C)C(C)C1CC(O)C1,0,GDB ChEMBL
199482,C[NH2+]C1COC(C(O)C(=O)[O-])=NC(C)C1C[NH3+],0,GDB ChEMBL
115888,[NH3+]CC1NC(=O)C(O)C2CC12[NH3+],0,GDB ChEMBL
389408,N#CCNC1C(O)C2OC(=O)C1C2[NH3+],0,GDB ChEMBL
248843,CCNS(=O)(=O)CC([NH3+])C(O)C(=O)[O-],0,GDB ChEMBL
64670,CCC1C(O)C2CCC1(C)[NH2+]C(C)C2C,0,GDB ChEMBL
387088,COCC(NS(C)(=O)=O)(C(C)O)C1NC1C=O,0,GDB ChEMBL
362621,C#CC[NH+](C)C12CCC(C)C1C2,0,GDB ChEMBL
302613,NC(=O)C1C(C=O)COC1CO,1,GDB ChEMBL
260547,NC(=O)OC1CCNC(=O)C=CNC1,1,GDB ChEMBL
209699,C[NH2+]C1C(C)OCC1OC1(C(N)=O)CC1,0,GDB ChEMBL
146946,CC1[NH+]=C(N)CC1CO,0,GDB ChEMBL
72036,O=C1CCCOC2CC1[NH2+]CC2CC=NO,0,GDB ChEMBL
375181,C#CCC(CC)C(C)CC[NH3+],0,GDB ChEMBL
223262,CC1CC2(C)C[NH+]1CCCC1C2=CCC1[NH3+],0,GDB ChEMBL
382491,OCCC1CCCC2CN2C1C(F)(F)F,0,GDB ChEMBL
389056,NCC(=O)NC(=O)C1(C(N)=[NH2+])CC1,0,GDB ChEMBL
201175,C[NH+]1CCC2C=CCC(O)(CC=C2)CC1,0,GDB ChEMBL
104933,CC(C)CCC1C=CC2CCCC(C)CC21,0,GDB ChEMBL
50096,CC=C1CCC[NH+](C)C2C=CCC12,0,GDB ChEMBL
215697,CC(=O)C1C[NH+]=C(CCO)N1,0,GDB ChEMBL
248623,CC(=N)NC(=O)C(=O)N1C=[NH+]CCC1C,0,GDB ChEMBL
98511,C#CC(CC(C)Oc1[nH]nnc1N)NC(C)=O,0,GDB ChEMBL
325268,CCC1CC=CC(CC)C(O)C[NH2+]1,0,GDB ChEMBL
317546,CN(CC1CCC2C(O)C12)C(=O)CO,0,GDB ChEMBL
147427,CCNC(=[NH2+])C#CCC(=O)c1sccc1C,0,GDB ChEMBL
190055,C#CC(C)(NC(N)=[NH2+])C1(NCCO)CC1,0,GDB ChEMBL
181146,Nc1cc(O)nc(Cl)c1C1C[NH2+]C1C=O,0,GDB ChEMBL
390137,CC1(C)CC1(C)c1c(F)cc(F)cc1F,0,GDB ChEMBL
70141,CC(C)CC(=O)C(C)C(C)C,1,GDB ChEMBL
292223,CCOC1CC2N(C(N)=[NH2+])C2(CO)C1,0,GDB ChEMBL
171876,Nc1cnc2c(c1)C[NH2+]C2,1,GDB ChEMBL
249420,C#CCCC[NH2+]C1(CC)C=CC=C1,0,GDB ChEMBL
76921,CN(c1ccn(CC=O)n1)C1CC1,1,GDB ChEMBL
53303,C=CCC1C(C)C1(C)CCCCC,1,GDB ChEMBL
348824,NC1C[NH2+]C2CC=CC2CC1O,0,GDB ChEMBL
306345,NC(=[NH2+])Nc1ccncn1,0,GDB ChEMBL
201686,CC(C1CC(=O)C1)[NH+](C)CC#CCCC#N,0,GDB ChEMBL
82175,CCC(C)C(CC)CC(C)C(C)(C)CC,0,GDB ChEMBL
209669,COCc1ccc([N+](=O)[O-])s1,1,GDB ChEMBL
317714,COCC(C)Oc1nnc(O)n1CCO,1,GDB ChEMBL
76510,CC(C)CCCC1CC(C)CC(C(C)C)C1C,0,GDB ChEMBL
267905,Cc1cc(N(C)C)c(C(C)C)s1,1,GDB ChEMBL
274008,C#CC1C(O)CC2=NCC(=O)N21,0,GDB ChEMBL
9770,CC1CC=CC2[NH2+]CCCC=CC12,0,GDB ChEMBL
135814,O=C1CNCC2NC=[NH+]C2C(O)CN1,0,GDB ChEMBL
274367,CCC(CC)CCCn1cc(C)c(=O)[cH-]1,0,GDB ChEMBL
124823,Cc1cc2c(C(=O)[O-])c(=O)onc2o1,0,GDB ChEMBL
199090,CC1(O)CS(=O)(=O)N2C(C(=O)[O-])C21C#N,0,GDB ChEMBL
93122,C[NH2+]CCOS(=O)(=O)NCC1CCCC1O,0,GDB ChEMBL
156520,N#CCN1C2CC([NH3+])C1C1(CO)CCOCC21,0,GDB ChEMBL
115897,C[NH2+]CCOc1cc[nH]c1C(C)OC,0,GDB ChEMBL
306269,CCn1ncc2sc(=N)nc(NC(C)=O)c21,0,GDB ChEMBL
126994,CC1C2CCC(CC2O)[NH+]1CC1CN1,0,GDB ChEMBL
44575,COC1CCCC(C#N)C1C1CC1,1,GDB ChEMBL
151122,CC(CO)C12CC(O)C(C1)[NH2+]C2C,0,GDB ChEMBL
175839,COc1cc(=N)[nH]c2c1ncn1nccc21,0,GDB ChEMBL
163852,CC(=O)NC1C2[NH2+]CC12N,0,GDB ChEMBL
156483,CCC#Cc1c(NC)cc(C)c(C)c1Cl,1,GDB ChEMBL
50978,CCC[NH+](CCOC)CCC(C)C#N,0,GDB ChEMBL
355128,COc1c(C(C)C2(O)CCC2)cnn1C,1,GDB ChEMBL
215418,C=CC(O)CC1CC(CC)=CC1C,0,GDB ChEMBL
276165,CC1CC(O)CC2CC[NH2+]C2C(C)O1,0,GDB ChEMBL
171871,CC(O)CN=C(C#N)N(C)CC(O)COC=O,0,GDB ChEMBL
10621,CCC(CC)(C[NH+](C)C)NC(=[NH2+])C(C)C#N,0,GDB ChEMBL
378272,NC1C[NH2+]C1(CCO)C(N)C(=O)[O-],0,GDB ChEMBL
12723,C#CC1(O)CC(C)C2C=CCC21CC,1,GDB ChEMBL
157052,CC1C[NH2+]CCCC1CC[NH+](C)C,0,GDB ChEMBL
214401,CC1CC=CCC1c1cccc(Cl)c1,1,GDB ChEMBL
237995,Cc1ccc(Br)c(C2C=C(C=O)CC2)c1,1,GDB ChEMBL
118898,CCC[NH2+]C(CC(C)CCO)CN1CC1,0,GDB ChEMBL
197080,CC1C(CO)C(N)C2(CC(=O)[O-])NC(=[NH2+])CC12,0,GDB ChEMBL
276297,C[NH2+]C1CC12C(=O)CNC(=O)NC2=O,0,GDB ChEMBL
312576,C#CC(C)(C[NH+](C(C)C)C1CC1)C(C)=O,0,GDB ChEMBL
62101,CC(C)CC1C=CC(C)(C(F)(F)F)CC1,0,GDB ChEMBL
70297,CNc1ncc(N)c(C[NH3+])c1CC1([NH3+])CC1,0,GDB ChEMBL
284373,CNC(=O)C1C(C)C(=O)C(O)C1O,1,GDB ChEMBL
179472,COC(=O)NC1=NCC(C)OC(=O)N1C,1,GDB ChEMBL
58481,N#CCCn1nnc(CO)n1,1,GDB ChEMBL
277738,CCN(C=O)C(=O)C(=N[O-])C(=O)[O-],0,GDB ChEMBL
313330,COCc1ncnc(CO)n1,1,GDB ChEMBL
13764,N#CC(=O)C1CCCCN1,1,GDB ChEMBL
206837,N=C1OC2(C(=O)[O-])C1NC(CC(N)=O)C2O,0,GDB ChEMBL
225012,CC(Nc1noc(=O)c(Cl)n1)C(=O)[O-],0,GDB ChEMBL
317578,C=C(C)CC(CC1C=CC=C1)OC,1,GDB ChEMBL
22600,CCC1CCC(C)=CC(C)C=C(C)CC1,0,GDB ChEMBL
124321,CC1CC2OC2C(O)CC1[NH3+],0,GDB ChEMBL
370360,CC(=O)C1C2OC(CNC2=O)C(=O)N1C(N)=O,0,GDB ChEMBL
385456,Cc1noc(NCC2(CC(N)=O)COC2)n1,1,GDB ChEMBL
51030,COC(=O)C1NC2(CO)C(C)C=CC1C2[NH3+],0,GDB ChEMBL
147551,CCC1CC(O)C(N)(COC)C(N)=[NH+]1,0,GDB ChEMBL
265280,C#CC(C#C)C([NH3+])C(=O)NC(=N)OC(C)CO,0,GDB ChEMBL
12848,CC(O)CNCC1(C)CC[NH2+]1,0,GDB ChEMBL
165258,CC1CC2C(C(O)C1C#N)N2C(N)=[NH2+],0,GDB ChEMBL
362623,CCC1CC(O)CC(C#N)C1,1,GDB ChEMBL
21886,CC1CC2C=CNC(=O)C(C[NH3+])N2C1C#N,0,GDB ChEMBL
358924,C[NH2+]CCNC1C(CO)C1(O)CO,0,GDB ChEMBL
157454,CCc1cc(N2CCCC2)c2cc(F)ccn12,1,GDB ChEMBL
301190,C#CC(C)([NH3+])Cc1ccoc1,0,GDB ChEMBL
62786,N#CCNC(=O)C1CCC1[NH3+],1,GDB ChEMBL
236747,CC[NH+](C(C)C)C1CC2C[NH2+]CC21O,0,GDB ChEMBL
227762,CCC1C2=CCc3cncn3CC(C2)C1O,0,GDB ChEMBL
361999,CCc1cc(C)cc(CCCC(C)CC)c1C,1,GDB ChEMBL
211167,CC(c1cc(CC[NH3+])cnn1)C1C[NH2+]C1,0,GDB ChEMBL
41064,[NH3+]CC1C(O)C([NH3+])C1OCC(=O)[O-],0,GDB ChEMBL
366005,CCCNc1nc(COCC(=O)C[NH2+]C)cs1,0,GDB ChEMBL
348813,CC1C2C=CCC[NH+]1CCC=C2,0,GDB ChEMBL
130595,C1=CCCC=CCCCCC=C1,1,GDB ChEMBL
209883,COc1ccc(C)c(C(C)C)n1,1,GDB ChEMBL
5868,CC(CO)C(O)c1cscc1N1CCCC1,1,GDB ChEMBL
249539,C[NH2+]C1C=CCC(NC(N)=O)C2CC12,0,GDB ChEMBL
288584,CCC#CC1(C2(C)C[NH+](C)C2)COC1,0,GDB ChEMBL
204626,CCC([NH2+]C)C(=N)OC1C(=O)CC(CO)C1C,0,GDB ChEMBL
17488,C#CC12C=CC(CC(C)C)C1CCCC2,0,GDB ChEMBL
61265,CCC(NCC(NC=O)C(C)O)C(N)=[NH2+],0,GDB ChEMBL
237964,[NH2+]=C1NCC(=O)NC(C=O)CN1,0,GDB ChEMBL
215826,CC1CC(N)(C(N)=O)C2C[NH2+]CC2O1,0,GDB ChEMBL
83555,CC1CC(O)C(C2CCC2(C)O)NC1=O,0,GDB ChEMBL
238153,COC(C)CNc1ccc(=O)nc(O)n1,0,GDB ChEMBL
152067,CC(CO)N1C(=O)C2CC21,1,GDB ChEMBL
313760,C#CC1C[NH2+]CCOC1C#N,0,GDB ChEMBL
204530,CCC1CCCC2(C)CC(C)CCC2CC1C,0,GDB ChEMBL
120405,COC1C(C)([NH3+])C(O)C1(O)CC(=O)[O-],0,GDB ChEMBL
51028,COC1C2[NH2+]CC1N1CCC(C2O)C1C[NH3+],0,GDB ChEMBL
361823,C[NH2+]C(C(N)=O)C(C(N)C[NH3+])C1CCC(=[NH2+])N1,0,GDB ChEMBL
228291,CC(=O)N1CC2C3C(C)CC1C23C,0,GDB ChEMBL
151776,C[NH2+]Cc1ncnc2cc(=[NH2+])cc(CO)cc12,0,GDB ChEMBL
275512,CCC1CCCC2(C)C1C(C)CC2(C)CC,0,GDB ChEMBL
147209,CC1([NH3+])CNS(=O)(=O)C1C1NCCOC1=O,0,GDB ChEMBL
39785,CC1CCCC(=O)CC2CCC(C)(C)C12,0,GDB ChEMBL
294755,CCC1C(CCO)OCC(C)CC1C1C[NH2+]1,0,GDB ChEMBL
252317,C[NH2+]CC1CC1([NH3+])C1(C)CCOC1,0,GDB ChEMBL
292566,CS(=O)(=O)[N-]C(=O)CC(O)C1CN1,0,GDB ChEMBL
298965,CC1C2CC3C(CCN3C1CO)[NH2+]2,0,GDB ChEMBL
305944,C[NH+](C)Cc1cocc1CC[NH2+]C(C)(C)CN,0,GDB ChEMBL
107015,CC12CC=CC1CC2c1ccccc1Br,1,GDB ChEMBL
250523,CC1OC2C([NH3+])C(CO)CC2(C(=O)[O-])O1,0,GDB ChEMBL
366565,CCC1C(C2(C)CC2)C=C(C)C[NH+]1C,0,GDB ChEMBL
273449,CC([NH3+])C(O)C(O)C1OC(=O)NC1C(N)=[NH2+],0,GDB ChEMBL
299177,C#CCCCC12CC(C)CC[NH+]1C2C,0,GDB ChEMBL
121944,CC1C2CC(=O)C(C)(C#N)CC2C[NH+]1C,0,GDB ChEMBL
337189,C[NH2+]C(c1cn[nH]c(=O)c1)C(N)C(=O)[O-],0,GDB ChEMBL
84878,O=C(CC1CCC1)Nc1nocc1[O-],0,GDB ChEMBL
18939,CC1CS(=O)(=O)C(=N)N1CCC1CC1,1,GDB ChEMBL
225036,CC1CC[NH+]2CC(=NO)C(=O)CC(O)C12,0,GDB ChEMBL
351133,CC(=[NH2+])NC1(C(=O)[O-])CC[NH+](C)CC2OC21,0,GDB ChEMBL
258236,NC(=O)C(O)C1[NH2+]CC2(N)CC12,0,GDB ChEMBL
144601,C[NH2+]CC(N)C(NC(C)CO)C(C)O,0,GDB ChEMBL
193807,C#CCC(C)(C#N)CC(C)C,1,GDB ChEMBL
338555,C[NH2+]C(CO)CNC(=O)n1cnnn1,1,GDB ChEMBL
243944,C#CC1c2c(Cl)ccc(C)c2CN2CC12,0,GDB ChEMBL
277974,O=CC1(CO)CC(CCO)COC1=O,0,GDB ChEMBL
366893,[NH3+]CC(=O)NC1C2C[NH2+]CC(CO)C1OC2,0,GDB ChEMBL
106594,CC(OCC1=[NH+]CCN1)C1CC[NH+]1C,0,GDB ChEMBL
21716,CCC1CC(=O)CCCOC2CC(C1)C2,1,GDB ChEMBL
391665,O=C1NC2CCCCC(=NO)C1C2,1,GDB ChEMBL
305227,COC(C)C1CC2OCC2CNC1=O,1,GDB ChEMBL
61925,C[NH2+]CCC(=NO)C1=CCOC1,0,GDB ChEMBL
379111,C#Cc1c(Cl)cc(C#CCO)c(OC)c1Cl,1,GDB ChEMBL
81446,CC1CC2CCC3CC13C[NH+]2C,0,GDB ChEMBL
177325,COCC(CO)[NH+](C)C(C)(C)C(C=O)C=O,0,GDB ChEMBL
355156,O=C([O-])C1=CS(=O)(=O)NC(CO)CN1,0,GDB ChEMBL
302614,Nc1ncnc(C2CN2C(=O)C(=O)[O-])n1,0,GDB ChEMBL
34174,CCC(O)C([NH3+])Cc1oc(N)c([N+](=O)[O-])c1[O-],0,GDB ChEMBL
149942,CC(C#N)C1CCCC2(C(F)(F)F)CCN1C2,0,GDB ChEMBL
281659,CC([NH3+])C1CCCC2([NH3+])COC(C2)C1O,0,GDB ChEMBL
292680,NCC(N)(CC(CO)C(N)=O)C(N)=[NH2+],0,GDB ChEMBL
236002,C#CC(CC(C)=O)NC(=[NH2+])CC(C)CC,0,GDB ChEMBL
132440,NC1C(O)C(O)C(CO)C1[NH2+]CC(O)CC[NH3+],0,GDB ChEMBL
284357,CC1CCCC(C)(C)C2CCCC1COC2,0,GDB ChEMBL
33185,COC(=O)CN(C=N)S(=O)(=O)CC(C)O,1,GDB ChEMBL
227895,[NH3+]C1CC2(O)COC1CC21CCNC(=O)OC1,0,GDB ChEMBL
274858,C#CC1(C)NC1c1cc(C)cc(Cl)c1C,0,GDB ChEMBL
365779,C=C1CC(=O)N(C)C2C(C[NH3+])C12O,0,GDB ChEMBL
392733,CN1CC(C)([NH3+])C(CNCC#N)CS1(=O)=O,0,GDB ChEMBL
243394,CNC12C[NH2+]C(C(C)C1)C2O,0,GDB ChEMBL
331141,C[NH+]1CC2C3C1CC3C(C)(C)C2CCCO,0,GDB ChEMBL
374934,CC[NH2+]C1CCCC2(C=C(CC)CC2)C1,0,GDB ChEMBL
338622,CCCOC(=O)C(C(N)=[NH2+])C1(C)COC(=O)N1,0,GDB ChEMBL
236753,C1=CC2C3CC[NH+]2CC1C3,0,GDB ChEMBL
126598,CC1C2C(C(N)=O)[NH+](C)CC12O,0,GDB ChEMBL
132872,C#CC(C)C[NH+](C(C)CO)C(C)(C)CC,0,GDB ChEMBL
79346,CN1C2CC(CC([NH3+])C2O)S1(=O)=O,0,GDB ChEMBL
204828,CCC1CC2C(C(C)C)CC1C1CCCC21,0,GDB ChEMBL
169090,Cc1ccc2c(n1)OC1CCC(C)CCC2C1,1,GDB ChEMBL
330012,C[NH2+]CCOC1CCC(C)(CCO)O1,0,GDB ChEMBL
298023,CCC1(OC)CC(C)CC1CCc1cccs1,1,GDB ChEMBL
314161,NC(=O)NCc1c(CCCC[NH3+])[nH]c(O)c1O,0,GDB ChEMBL
242608,CC1CC2C(CCO)OC(C[NH+](C)C2C)C1O,0,GDB ChEMBL
208547,COCC1CC2(C)OC2C1CO,0,GDB ChEMBL
196746,CCC(C)OCC[NH2+]CC1CC1,1,GDB ChEMBL
19647,O=C1C2CCC[NH2+]C1CC2,0,GDB ChEMBL
77293,CC1CC2COCC[NH2+]CC(N)C1[NH2+]2,0,GDB ChEMBL
386554,C=CCC1CC(CCC)CCC1C,1,GDB ChEMBL
339271,CCC(=O)C1CC(=O)C(C)CCN1,0,GDB ChEMBL
225181,CC[NH2+]C(C)(C)C1CC(CC#N)CC1(C)[NH2+]C,0,GDB ChEMBL
122913,CCC(C)C([NH3+])C(C)(N)C(O)Cc1ncc[nH]1,0,GDB ChEMBL
118729,N#CC(CN)OC1CC[NH2+]C1,0,GDB ChEMBL
196502,COCCC1(N)C2CC(C(C)C)[NH2+]C21,0,GDB ChEMBL
151111,CCC(COC(=N)NC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
22555,CC1NC(C)(C)COC1(C#N)C(=O)CO,0,GDB ChEMBL
107832,CCC(O)C1(CC(=O)[O-])NC1S(N)(=O)=O,0,GDB ChEMBL
160802,CCc1cc(O)c(O)c(F)c1O,1,GDB ChEMBL
50084,COC1CCC(=O)C2C=CCC12C,0,GDB ChEMBL
380355,CC(COC(N)=[NH2+])CC1N=CN(C)C1=O,0,GDB ChEMBL
3941,CC1C2NC(=O)NCCC12NC(N)=[NH2+],0,GDB ChEMBL
247591,N#CCCC1CCC([NH3+])C1,1,GDB ChEMBL
76827,CCNCc1nsc(C(N)=O)n1,1,GDB ChEMBL
190136,CCC(C)(C)Cc1cc(COC)c(Cl)cc1C,1,GDB ChEMBL
318372,[NH3+]C1CC[NH+]2CCC3CC2CC13,0,GDB ChEMBL
94692,CC1C2CC([NH3+])C(=O)N(C)CC1(C)C2CO,0,GDB ChEMBL
352215,C=C1CCC2C(C)C=CC2C1CC,0,GDB ChEMBL
337123,C#Cc1nc(Cc2cc(C)cc(O)c2)c[nH]1,1,GDB ChEMBL
140368,CCC1CC1C1(C2CCCC2)CC1,1,GDB ChEMBL
372166,Cc1cc(I)c(O)c(N)c1C1(C)CC=CC1,0,GDB ChEMBL
215841,C#CC[NH+]1C2CC(CC2CCC[NH3+])C1(C)CC,0,GDB ChEMBL
209457,[NH3+]CCCCNC1C[NH2+]C1,0,GDB ChEMBL
75856,CCCc1cc(NCC(C=O)CCC)n(C)c1,1,GDB ChEMBL
124219,CC1CC2CCCC(C2)C1C1CC1,0,GDB ChEMBL
266481,CC1CCC2C(C)C(O)CCCCC12,0,GDB ChEMBL
280996,CC(=O)C1CC(C)(O)CC2C1N2S(C)(=O)=O,0,GDB ChEMBL
149975,CC([NH3+])C(=O)[N-]C(C#N)C(N)=[NH2+],0,GDB ChEMBL
348478,CC1(C)CN(C(=O)CC(N)=O)CC12CC2,1,GDB ChEMBL
299563,CC(O)CCCC[NH2+]Cc1ncc(O)nc1O,0,GDB ChEMBL
115944,CN(C1C[NH2+]C1)C1CC1C#N,0,GDB ChEMBL
83122,C[NH2+]C1(C)C(N)C1(COC)C(C)C,0,GDB ChEMBL
379901,NC(=O)C1CC2CCS(=O)(=O)N21,0,GDB ChEMBL
124119,C#CC(C[NH3+])c1cnc(N)c(N)c1,0,GDB ChEMBL
29210,CC1(O)C([NH3+])C(=O)NC2CC1C2([NH3+])C(=O)[O-],0,GDB ChEMBL
366756,CCC[NH2+]Cc1c(N)c(F)c(OC)c(O)c1O,0,GDB ChEMBL
389494,CCC1CC=CCC(C)(C)C=C(C)C1,0,GDB ChEMBL
235517,CCNC(=O)Nc1noc(N)n1,1,GDB ChEMBL
99116,CC1OC2CCC1C(C)(C)C2[NH3+],0,GDB ChEMBL
258266,CCCC(C)C(O)C(=O)[O-],0,GDB ChEMBL
248892,N#CCCOC1CC1([NH3+])CC(C[NH3+])CO,0,GDB ChEMBL
363784,c1cnn(CCn2cnnn2)c1,1,GDB ChEMBL
13797,COCCC1C(C(C)=NO)C=C2CCCC21C,0,GDB ChEMBL
35280,NC(=O)C=C1C[NH2+]CCOCC1=NO,0,GDB ChEMBL
255547,COCC([NH3+])C(CO)n1nc(CCO)cc1N,0,GDB ChEMBL
40017,CC(COC(N)=O)OC(C[NH3+])C(=O)N(C)C,0,GDB ChEMBL
308015,CC1(C(N)=O)C=CC(C(=O)[O-])C1,0,GDB ChEMBL
29948,CCC12CCOC1C(O)CC([NH3+])C2OC,0,GDB ChEMBL
340156,CC#Cc1c(C)cc(CCO)c(C)c1Cl,1,GDB ChEMBL
374195,CN1CC(=O)N2CC2C1C([NH3+])C(=O)[O-],0,GDB ChEMBL
291487,CC(CCC#N)C1[NH2+]CC2(CCCC2)C1C,0,GDB ChEMBL
162883,OC1CC[NH+]2CC=CCOCC12,0,GDB ChEMBL
165226,Cc1c(CCO)cn(C)c1O,1,GDB ChEMBL
13759,CCC(C)C[NH+](C)CC1CCC(C)=CC1C,0,GDB ChEMBL
354862,CCC1OC1C[NH+]1CCC1,0,GDB ChEMBL
24253,CCC1(CC)CC(C(C)(C)C)CCC1C,0,GDB ChEMBL
378242,Cn1cnccccnc1C(=O)C(N)=O,0,GDB ChEMBL
182129,CCn1c(C(N)=O)nc(OC=N)c1C(=O)OC,0,GDB ChEMBL
21474,COC(=O)CNC(C=O)=CC(N)=O,1,GDB ChEMBL
386413,CCCC1(C)C=CCC1CC,1,GDB ChEMBL
305971,CC(C([NH3+])CC#N)C1CO1,0,GDB ChEMBL
75829,[NH3+]C(CC(=O)[O-])C1=CC(=O)NC1,1,GDB ChEMBL
370267,CC12C[NH2+]CCC(O1)C(C(O)C([NH3+])CO)C2O,0,GDB ChEMBL
210999,CC12OC3(CO)CC[NH+](C3)C1C2C(N)=O,0,GDB ChEMBL
54084,COC(CC(=O)[O-])C(=N)OCC(=O)[O-],1,GDB ChEMBL
201110,N#CC(O)(C#N)CN(C(N)=O)C(=O)CN,1,GDB ChEMBL
155087,CC(O)C1CNC(=O)N1CC(C)C(C)(C)[NH3+],0,GDB ChEMBL
76995,CCOC(CCCO)=NCC(=O)N(C)C,1,GDB ChEMBL
35015,OCC1C2CC(O)C([NH2+]2)C1O,0,GDB ChEMBL
74999,COCC1OC(=O)C2CC1C2,1,GDB ChEMBL
28359,CCC1=CC=CC(C)CCc2ccc1cc2,1,GDB ChEMBL
26821,C[NH2+]CC(C#CC(O)CCO)CC(N)=[NH2+],0,GDB ChEMBL
354776,C#CCOC1CCC(C)C(C=O)CCC1O,0,GDB ChEMBL
95531,NC1C(C[NH3+])C2C(=O)NC(CC(=O)[O-])C12[NH3+],0,GDB ChEMBL
242678,CC1(C)C=CC2CCC[NH+]21,0,GDB ChEMBL
260577,CCCC(C)COCC1(O)CN(CCO)C1,1,GDB ChEMBL
367613,[NH3+]C1CC2C3C1NC(=O)CCN23,0,GDB ChEMBL
120508,CN1CC(C2CC=CCC[NH+]2C)C1,0,GDB ChEMBL
363787,CNc1ccnc2ncsc12,1,GDB ChEMBL
170127,O=C1C=CCOC(CC#CCO)CO1,1,GDB ChEMBL
379710,CC[NH+]1CCC1(CC=O)CNC(C)=O,0,GDB ChEMBL
45725,CCS(=O)(=O)CCNCc1nn(C)nc1C,1,GDB ChEMBL
349495,CC1CC2(C(C)O1)C(C#N)C2(O)C(=O)[O-],0,GDB ChEMBL
80453,Cc1ccn(C2CCOC(=O)OCC2)c1,1,GDB ChEMBL
225195,NC(=[NH2+])CCC(=O)Nc1nc2n(c1N)CCC2,1,GDB ChEMBL
83040,CCC(CS(=O)(=O)C1NC1C(=O)[O-])NC=O,0,GDB ChEMBL
350003,C#CCCCCC1C(C)CC(C)(C)C1(C)CC,0,GDB ChEMBL
226216,CCC(O)c1cccn1C,1,GDB ChEMBL
103470,CC(=O)C1CC2C[NH+]1CCCC2=O,0,GDB ChEMBL
128326,CCC1CC2CN(C(C)C)CC2[NH+]1C,0,GDB ChEMBL
88123,C#CCC[NH+](C)Cc1ccc(Cl)cc1Cl,0,GDB ChEMBL
346976,COCC(O)S(=O)(=O)NCC(N)=O,1,GDB ChEMBL
20773,CN1C(C#N)C(O)C2C(=O)CNCC21,0,GDB ChEMBL
243942,NC(=[NH2+])CC(=O)Nc1nn[n-]n1,0,GDB ChEMBL
180017,C#CCC(C)OC(C)(C)C,1,GDB ChEMBL
334048,C[NH2+]CC(C)(C)C1CC(C)=CCCC(C)C1,0,GDB ChEMBL
382989,N#Cc1ncc2c(=O)[cH-]oc2n1,0,GDB ChEMBL
197247,C#Cc1cc(Cl)cnc1CC12CCC(CC1)C2,1,GDB ChEMBL
375680,CCC1C(O)CC[NH+]2CCOCC12,0,GDB ChEMBL
311673,C#CC(C)(C#C)Cc1cc(C)cc2c1CCC2,0,GDB ChEMBL
71292,CC(O)CC(C)C1C2C(C[NH3+])CCC12C,0,GDB ChEMBL
296606,CCC1C[NH+](C)CC12CCCC(=O)OC2=NC,0,GDB ChEMBL
22474,C#Cc1cc(NC(N)=O)c(O)nc1N,1,GDB ChEMBL
61529,NC1COC2CC[NH2+]C12,0,GDB ChEMBL
34321,CCC1CCCCCC12C=CCC2O,0,GDB ChEMBL
249536,CNc1sc(C)nc1N(C)C(CC[NH3+])COC,0,GDB ChEMBL
297024,CCOc1noc(CC([NH3+])C(C[NH3+])OC)c1[O-],0,GDB ChEMBL
338931,CCCOC(=O)c1n[nH]nc1N,1,GDB ChEMBL
127653,[NH3+]C1C(O)CNC2C1C2n1cc(CO)nn1,0,GDB ChEMBL
208401,O=C1CC2CC3CCC2[NH+]3CCO1,0,GDB ChEMBL
66734,CC(C)CC1C=CCC12CCCCCCC2,0,GDB ChEMBL
379747,Ic1ccc2c(c1)CCCCC=C2,1,GDB ChEMBL
210292,C[NH+]1CCC2C1C2C(C)(C)O,0,GDB ChEMBL
23918,N#CC(CO)N(C=O)C1CCCC1,1,GDB ChEMBL
38169,CC=CC(CCCCC[NH2+]C)OC,0,GDB ChEMBL
75802,NCC1CNC(CC(O)C(N)=O)=[NH+]1,0,GDB ChEMBL
112055,O=C1CC2CC2[NH2+]CC1O,0,GDB ChEMBL
318407,O=COCCNc1[nH]cc[nH+]1,1,GDB ChEMBL
225871,OCCCc1nocc1CO,1,GDB ChEMBL
262223,CC1(C2CC2)Cc2cc(Br)c(Br)cc2C1,1,GDB ChEMBL
87494,C1CC(C2[NH2+]CC3CC32)CO1,0,GDB ChEMBL
248859,CC(O)C1CC=CN(CC#N)C1=O,1,GDB ChEMBL
315208,CC1(C)C(O)CC2C=CCC=CC21,0,GDB ChEMBL
330551,N#CCC(N)(C[NH3+])C1OC1C(=O)[O-],0,GDB ChEMBL
347001,CC1C=CC2CCC1C2CC#N,1,GDB ChEMBL
50911,C#CCCC(O)C(C)C,1,GDB ChEMBL
104962,C#CC(CC#CCCC(C)[NH3+])CC[NH3+],0,GDB ChEMBL
284785,CC1C2CCN(C=O)CCC12,1,GDB ChEMBL
287320,[NH3+]C1CCCCCCC1,1,GDB ChEMBL
323932,[NH3+]CCCOC(CC[NH3+])CC[NH3+],0,GDB ChEMBL
313314,NC1C2OC(=O)C1(CO)C[NH2+]CC2O,0,GDB ChEMBL
115983,N#CCC(=O)OC(Cc1nocc1N)C(=O)[O-],0,GDB ChEMBL
264943,CN(C=O)C(C[NH3+])CS(=O)(=O)[O-],1,GDB ChEMBL
255485,Cc1c(CO)nc(C(C)C[NH3+])c(F)c1C,0,GDB ChEMBL
101493,CC1Cc2cccc3cccc(c23)C1(C)C,1,GDB ChEMBL
348002,N=C(Oc1cnc(N)nc1)C(N)=O,1,GDB ChEMBL
21831,CC=C(CO)N1CC(=O)NC1=NC,0,GDB ChEMBL
126379,CCCC(C)CCC1OCC2CC21C,1,GDB ChEMBL
305229,CC1C=CC(C(C)CC(C)(C)C#N)C[NH2+]1,0,GDB ChEMBL
31033,COC1C2CC(O)C([NH3+])C(O2)C1O,0,GDB ChEMBL
288600,CC(OC(C=O)C(N)=O)C(O)CO,1,GDB ChEMBL
355296,C1CCC2CC3[NH2+]CCCC3CC2C1,0,GDB ChEMBL
39763,NC(=O)C1[NH2+]C2CC1(O)C2CO,0,GDB ChEMBL
21882,N#CC1OS(=O)(=O)NCCC1OCCO,0,GDB ChEMBL
235998,CC(C)C1=CC2CC(C=CC1)[NH+](C)CCN2,0,GDB ChEMBL
151201,CC(=O)C(C)C(C)(O)CC(=O)C1[NH2+]CCC1O,0,GDB ChEMBL
188117,C#CCCNC(=O)NC(=O)C1N=COC1=O,1,GDB ChEMBL
44677,CC[NH+](C)C1CC(C)(C(F)(F)F)C2([NH3+])CC12,0,GDB ChEMBL
215863,CC([NH3+])(CC(N)=O)C1OC1C1CCOC1,0,GDB ChEMBL
18830,C[NH2+]C1CN(C)C(=O)C2(O)C(O)C(C)C12,0,GDB ChEMBL
337108,CCC1=C(C=O)CCCC([NH2+]C)C(=O)CN1,0,GDB ChEMBL
278022,CCOC1CC(C)C2(C)OC12,1,GDB ChEMBL
273428,Cc1cccc2c1C(C)CC1(C)CC1C2,1,GDB ChEMBL
296097,C[NH+]1CC2CCOCC(O)C(C1)C(O)C([NH3+])C2,0,GDB ChEMBL
140102,CCC1(C2CCC2(C)C)CC[NH+](C)CC1,0,GDB ChEMBL
35493,[NH3+]Cc1c(F)c(O)c[nH]c1=O,0,GDB ChEMBL
207970,C[NH+]1CCC2C=C(CC#N)C1C2,0,GDB ChEMBL
261438,C[NH2+]C(C)C12C(O)CC(O)C1C2C(=O)[O-],0,GDB ChEMBL
88151,CC(C)(C)C#CCC(C)(C)[NH3+],1,GDB ChEMBL
180858,CCC1(O)C(=O)OCCC(OC)C1=O,1,GDB ChEMBL
167289,Cc1nnnc2c(CC[NH3+])ccc(Cl)c12,0,GDB ChEMBL
86728,Nc1nccc[nH]ccc1CO,0,GDB ChEMBL
150001,CCc1[nH]ccc1C1C(=O)N(C)CC1C=O,1,GDB ChEMBL
193771,OCC1CC2CC=CC3OC3C2[NH2+]1,0,GDB ChEMBL
204676,CCCCC(C(CC)CC)C(C)(C)CC#N,0,GDB ChEMBL
236620,CS(=O)(=O)c1cscc1C(N)=O,1,GDB ChEMBL
17345,CC=CC(CCCC)c1ccno1,1,GDB ChEMBL
195183,N=C1NC(=O)C(C(O)CC2([NH3+])COC2)O1,0,GDB ChEMBL
362857,CC(=O)Oc1cc(Cl)c(C)nc1CNC(N)=[NH2+],0,GDB ChEMBL
183447,[NH3+]CCCC1(CC(O)C([NH3+])CC[NH3+])CC1,0,GDB ChEMBL
84531,CC#CC1(CC)C(=O)C(O)C(O)C1O,0,GDB ChEMBL
60624,CC1C[NH2+]C2COC(C)(C)C1(CC(N)=O)OC2,0,GDB ChEMBL
140769,CC1=CC(C)(C)CC(C)(O)CCCCOC1,1,GDB ChEMBL
28353,COC(C)C(=O)[N-]C(=O)S(=O)(=O)CC#N,0,GDB ChEMBL
306411,CC1C2CC=CCC3C2C[NH2+]C13,0,GDB ChEMBL
144517,CCC1=CCc2cnccc21,1,GDB ChEMBL
333889,C#CCNc1ncc(I)c2c1CCNC2=O,1,GDB ChEMBL
151730,CC#CC1CC(C)(C[NH2+]C2CC2)C1,0,GDB ChEMBL
23943,C[NH+]=C(NC=[NH2+])N(C)CCOC(C)=O,0,GDB ChEMBL
350708,CC1CCC2C[NH2+]C(CO)C(C2)OC(C)C[NH2+]1,0,GDB ChEMBL
127476,Cc1oc2cc1NCC1CCC(C)(CC2)CC1,0,GDB ChEMBL
35007,CC1C2CC1C1CCC2[NH+]1C,0,GDB ChEMBL
292532,CC(O)COC(C)C1(C)CCC1,1,GDB ChEMBL
250546,CNS(=O)(=O)c1nccc(OC)n1,1,GDB ChEMBL
124298,[NH3+]CC1CC2(O)CCCCC([NH3+])C1C2,0,GDB ChEMBL
127628,O=C1C=CCC2C[NH2+]CCC2C1,0,GDB ChEMBL
202057,CCC1CN(C(N)=O)C2(C)C(CO)C2(O)C1,0,GDB ChEMBL
182505,C#CCCC1[NH2+]C(C)c2ccc(C#N)c(N)c21,0,GDB ChEMBL
59588,C[NH+]1CCN=C(N)NC(=O)C(O)C1,0,GDB ChEMBL
117337,N=c1ncc2c(N)ncnc2c(C[NH3+])c1[O-],0,GDB ChEMBL
151136,Cn1ccc2c1CC(C)(C)C2,1,GDB ChEMBL
34302,O=C1NC2C(O)C(CO)CC23NC13,0,GDB ChEMBL
243390,CC#CC(O)CC1C(N)C(=O)[N-]S1(=O)=O,0,GDB ChEMBL
126967,COC1C=CCC(O)CC(CCC(C)C)=C1,0,GDB ChEMBL
112531,CCC1C(C)CC(N(C)C)C(C)[NH2+]C1C,0,GDB ChEMBL
59717,COC(CO)CC1C([NH3+])C(C)NS1(=O)=O,0,GDB ChEMBL
214407,CS(=O)(=O)N1C2C(=O)N3CCC(O)C3C21,0,GDB ChEMBL
104599,CCC1CCCCn2c1cc(C)c(Cl)c2=O,1,GDB ChEMBL
217013,NC(=[NH2+])C1COS(=O)(=O)N1CC(=O)[O-],0,GDB ChEMBL
19387,C#CC(CC)C1CC[NH2+]C1CCC([NH3+])COC,0,GDB ChEMBL
331768,CCCC1CC=CC(C)CO1,1,GDB ChEMBL
197181,CCCC1=CCC(CC)CCCC2CC2C1,0,GDB ChEMBL
356509,COC(=O)C1C[NH2+]CC1NC=O,1,GDB ChEMBL
354046,CN1C(C[NH3+])C1C(=N)NC(=O)CO,0,GDB ChEMBL
70775,COC1CC(OC(C)CO)OC1CS(N)(=O)=O,0,GDB ChEMBL
383108,Cn1cc(OC2C[NH2+]C2)nc1N,0,GDB ChEMBL
64645,COCC1C2C=CC1OC(=[NH2+])NCC2,0,GDB ChEMBL
203438,C#CC(CC)C1(CC)Cc2ccc(F)cc2O1,1,GDB ChEMBL
20496,C#Cc1c[nH]c(CC(C)C)c1C,1,GDB ChEMBL
352564,CC1CC(C2C[NH2+]CCCC2C)CO1,0,GDB ChEMBL
341296,CCc1c(NC)cc(F)cc1C(C)C#N,1,GDB ChEMBL
86694,N=C(N)c1ncoc1CNCC([NH3+])C(=O)[O-],1,GDB ChEMBL
356803,CC[NH2+]C1COCc2nc(CC(N)=O)oc21,0,GDB ChEMBL
73840,C#CCC1CC(C)C(C)(C)CC(C(C)C)C[NH2+]1,0,GDB ChEMBL
223970,CCC(=[NH+]C)N1CCCC1CO,0,GDB ChEMBL
343972,CCc1c(C2CC2)noc1CO,1,GDB ChEMBL
193817,CC1CCC(C2CC(O)CCO2)C1,1,GDB ChEMBL
103435,CCCNC1CC(O)(C#N)C(C(C)[NH3+])CC1[NH3+],0,GDB ChEMBL
388420,CCCCC1(C=O)C[NH+](C)CC1C,0,GDB ChEMBL
141880,CC1C(CCO)C[NH+]2CC(O)C(=O)NC1C2,0,GDB ChEMBL
385365,CC1OC(=O)C([N-]S(=O)(=O)CCO)C1O,0,GDB ChEMBL
3968,NC(=O)OC1(C(O)C(O)CO)CCC([NH3+])C1N,0,GDB ChEMBL
330090,FC(F)(F)c1c(Cl)cccc1C1CC1,1,GDB ChEMBL
261215,C#CC(C)CC1CC1CCC(F)(F)F,1,GDB ChEMBL
201370,C#Cc1cncc(N(C)CC[NH3+])c1C,0,GDB ChEMBL
274590,COCC(C)C1CC2(CCC(C)C2)[NH2+]C1C,0,GDB ChEMBL
321407,[NH3+]C(CC(O)C(=O)[O-])C1C([NH3+])C1(O)CO,0,GDB ChEMBL
209424,COC1C2C[NH2+]C(C2)C1(C)O,0,GDB ChEMBL
350956,CC[NH2+]C1(C2CCC2)CC=CCCC=CC1,0,GDB ChEMBL
8669,CC(=O)NC(=N)CC(CO)c1nn[n-]n1,0,GDB ChEMBL
352842,FC(F)(F)C1CCN=C1N1Cc2ccsc2C1,0,GDB ChEMBL
260713,C[NH2+]C1CC([NH3+])C2CN2C1C(N)=O,0,GDB ChEMBL
235196,CC#CC1Cc2cc(F)cc3c2C1CC3,0,GDB ChEMBL
383076,CC1(C#N)C(=O)OCC2(C[NH2+]C2)CC1O,0,GDB ChEMBL
115302,COCC(O)C1OC(C)C([NH3+])C(O)C1NC=O,0,GDB ChEMBL
26622,COc1cc(F)c(C(C)=O)c(CC2CC2)n1,1,GDB ChEMBL
34375,C#CC1(C[NH2+]CCC(C)C)CCCC(C)C1C,0,GDB ChEMBL
317365,CCC(C(C)CC(C)O)C([NH3+])C1CC1,0,GDB ChEMBL
76106,CCC(C#N)(CO)CN=C1NC(C)C([NH3+])CO1,0,GDB ChEMBL
209857,CC1(O)COC(C[NH3+])CC(CC(O)C[NH3+])C1,0,GDB ChEMBL
22038,C#CC1(CC[NH2+]C)CC[NH+]=C(N)CCC(=O)O1,0,GDB ChEMBL
112573,COCCCC1(O)C2CCC1[NH+](C)C2,0,GDB ChEMBL
101492,[NH3+]CC1(c2ccccc2)COC1,0,GDB ChEMBL
311051,CCCCCC1=CCC(C#N)=CCC1,1,GDB ChEMBL
363762,CC1OC(=O)C(N)C2(C)OCC[NH2+]C12,0,GDB ChEMBL
112637,NC(=[NH2+])NC(=[NH2+])Nc1cc(N)c(F)c(N)c1,0,GDB ChEMBL
4984,C[NH+]1CC2CC=CC(C2)C2(C)CC1C2,0,GDB ChEMBL
157721,NC1=NC2C(N)C(=O)NC(C(=O)[O-])C2O1,0,GDB ChEMBL
85013,CCC(CC)(CC(C)(C)C)c1cccc(Cl)c1,1,GDB ChEMBL
111872,CCCOC1C(C)[NH2+]C(CC)C1C,0,GDB ChEMBL
259138,C#CC1N(C)C(CCC)C[NH+](C)CC1(O)CC,0,GDB ChEMBL
39781,C#Cc1ocnc1N(CC)CCC[NH2+]CCO,0,GDB ChEMBL
262521,O=C([O-])CC1CC(=O)CC=CC12CCC2,0,GDB ChEMBL
64612,CCC1COC2(CCCC2)C1,1,GDB ChEMBL
147973,Cc1cc2c(O)c(C)c1CC(=O)OCCCO2,1,GDB ChEMBL
143527,CCC1CC2(C)CCCC2C(C)=CC1C,0,GDB ChEMBL
67821,CC(C)c1cnc(F)c(O)c1OCC#N,1,GDB ChEMBL
2387,CC(=O)c1sc(N(C)C)cc1C,1,GDB ChEMBL
174278,CCC[NH+]1CC2OC(C)C(C[NH3+])C2C1CN,0,GDB ChEMBL
77874,CC[NH2+]C1C=CCOC(=O)NC(=O)NC1,0,GDB ChEMBL
254923,N#C[C-]1C(=O)C(=O)N2C3CC(C3)[NH2+]CCC12,0,GDB ChEMBL
371737,CCCC1CC2(O)C(O)C[NH+]1C1CC2N(C)C1,0,GDB ChEMBL
310114,C[NH2+]CC1C2OCC(=O)C12C,0,GDB ChEMBL
210428,N#CC1(C(=O)[O-])NC(=N)OCC1O,0,GDB ChEMBL
358110,COC(=[NH2+])N(C)Cc1cccc(O)n1,0,GDB ChEMBL
141968,CC1CC(O)C23COC(C)C2C3C[NH2+]1,0,GDB ChEMBL
193212,CC1CC(O)C(CC(O)C(=O)[O-])(C(O)CO)C1,0,GDB ChEMBL
65937,C#CC1CC2(CCC(C(C)C)CC2)CC1CC,0,GDB ChEMBL
292257,N#CCC(C#N)(C(N)=[NH2+])C(=O)c1cnccn1,0,GDB ChEMBL
177170,CC1CCC(=O)NC2C(=O)CC12O,0,GDB ChEMBL
339086,CCC1CCCCCCc2nc(C[NH3+])c([nH]2)C1,0,GDB ChEMBL
64094,C#CC1(CC)C(O)C1C(CC)CC(N)=O,0,GDB ChEMBL
685,C#CC(C#N)(C(C[NH3+])C[NH3+])C(C)[NH2+]C,0,GDB ChEMBL
169467,COC1CC2CC(CO2)CC1C[NH3+],0,GDB ChEMBL
24238,CC12CC1C(=O)CNC2C(=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
277721,COc1nc(I)nc(NC(C)C[NH3+])c1O,0,GDB ChEMBL
61978,COCC(O)C12CC[NH2+]CC1(C)OCC2C#N,0,GDB ChEMBL
332330,CCC(C)(C)[NH2+]C1CC2OC2(C)C1,0,GDB ChEMBL
317314,C#CC1CC(C)(C)CC1(CCO)OCCC,0,GDB ChEMBL
290333,CNC(=[NH2+])OC(CCO)C(=N)NCC#N,1,GDB ChEMBL
369283,CCCN(C=O)C1=[NH+]CCC1,0,GDB ChEMBL
218558,CC(C)n1cc(O)c2c1CCCC=C2,1,GDB ChEMBL
111521,CCC1(O)C(=O)CCC1=O,1,GDB ChEMBL
161959,C[NH2+]CC1CCC(O)(CCc2ccn[nH]2)C1[NH3+],0,GDB ChEMBL
156793,C#CCC1C=CCC[NH2+]C(C)(CC)CC1,0,GDB ChEMBL
147541,CNc1[nH+]cc(C)n1CC1C([NH3+])C1(C)O,0,GDB ChEMBL
341309,[NH3+]C1C2CC(C(O)CO)C(=O)NC12,0,GDB ChEMBL
296651,CC(C)CCC1C=C(C(C)O)CCC([NH3+])C1,0,GDB ChEMBL
278884,CC(=O)C1CC2(C[NH+]=C(N)C2)CC1O,0,GDB ChEMBL
26551,C[NH+](C)CC1C(C[NH3+])C1(C)C,0,GDB ChEMBL
24489,CC(C)CC1(C)C2C[NH2+]CC1C1CC12,0,GDB ChEMBL
217728,Cc1cc(N)c(C(C)C)cc1F,1,GDB ChEMBL
247547,Cc1nccc2c1CC1CC(C(C)C)C=C21,1,GDB ChEMBL
209486,CCC1OC2C=C(CO)CCC2(OC)C1C,0,GDB ChEMBL
124861,CC1CCC([NH3+])C2CN2C1=O,0,GDB ChEMBL
140892,C[NH+]1CCCOCCC2=CCC(=O)C2(C)C1,0,GDB ChEMBL
301474,C#CC(CC[NH2+]C)C1([NH3+])CCCCC1CC,0,GDB ChEMBL
338972,Cc1nc(C(=O)OCC(N)=O)nnc1Br,1,GDB ChEMBL
155191,CC1C(=O)NC(=N)C1OC(=O)CS(C)(=O)=O,0,GDB ChEMBL
26912,COC(C)(C)C1CCCCC(C2CCCC2)C1,0,GDB ChEMBL
133951,CCCCC12C=CC(C(C)C1)C2C(C)C,0,GDB ChEMBL
20139,C#CCCC(=CCCC=C)C[NH2+]C,0,GDB ChEMBL
273786,CC1CC=CC(C)(C)CC[NH2+]C1,0,GDB ChEMBL
188088,COC1C(C([NH3+])C(O)CNC(N)=O)C1(C)O,0,GDB ChEMBL
349517,CC(=O)OC(C)C1[N-]S(=O)(=O)CC1=O,0,GDB ChEMBL
304127,CC(C#N)CC1CC(O)CC1(C)OC(C)CO,0,GDB ChEMBL
317548,CCN(C(=O)CO)C1=CC(=NO)C(C)NC1,0,GDB ChEMBL
340469,FC(F)(F)c1ccc(Br)c(C2CCC2)c1,1,GDB ChEMBL
31784,CN=C1OCCOCCC(=O)OCCN1C=O,1,GDB ChEMBL
21477,CCC1CC(C2(C)CCC(C)[NH+]2C)CC1CC,0,GDB ChEMBL
77253,CCC1CC2NC(=O)C([NH3+])C(C1)CN(C)C2=[NH2+],0,GDB ChEMBL
181021,N#CC(C#N)(C=O)[N-]C(=O)CCCO,0,GDB ChEMBL
350886,C[NH2+]C(CN)C(=O)NC=N,1,GDB ChEMBL
376008,C#CC(CCC)[NH2+]C1C(O)C=CC1C1CC1,0,GDB ChEMBL
12854,CCC1CC#CC[NH+]2CCC(=CC1)C2,0,GDB ChEMBL
141836,C=CCN(C(=[NH2+])NC)C(C)C#CC,0,GDB ChEMBL
130356,CCCCC1=CC=CC(C)CCC(C)=C1,1,GDB ChEMBL
361772,CC[NH+](C)CCC1(N)C[NH2+]CC1(O)CC[NH2+]C,0,GDB ChEMBL
250531,COCC1C=CC2C(O)C2[NH+]1C,0,GDB ChEMBL
398887,NC(=O)Nc1cc(O)nc(F)n1,1,GDB ChEMBL
87013,CN(C=O)c1ncc(C#N)cn1,1,GDB ChEMBL
343941,NS(=O)(=O)CC1OCC2(C(=O)[O-])[NH2+]CC12,0,GDB ChEMBL
235523,CCCC1CCCC(C)C=CC(C)(CC)C1,0,GDB ChEMBL
383092,CC[NH+]=C(N)NCc1cc(N)nc(=O)[nH]1,0,GDB ChEMBL
319347,C#Cc1ccc(C)c(C#CC[NH2+]CC)c1Br,0,GDB ChEMBL
358610,COCc1cc(=O)ncc([O-])n1,0,GDB ChEMBL
283288,COC1C[NH2+]C2C1C1(O)C(=O)[N-]S(=O)(=O)C21,0,GDB ChEMBL
79305,CN=C(N)NC(=O)NCCOCC(=O)NC,1,GDB ChEMBL
194298,C=C(CCNC(N)=[NH2+])C(=O)S(N)(=O)=O,0,GDB ChEMBL
35331,COC1C(CC[NH3+])[NH2+]C2(C)CC12,0,GDB ChEMBL
288712,CCC1CC1[NH2+]CC(=O)c1cnccc1Br,1,GDB ChEMBL
41051,CCC1C2C(C)C(C)c3cccc(F)c3N12,0,GDB ChEMBL
305207,CCn1c(N)nc2cc(CC(C)[NH2+]C)n(C)c21,0,GDB ChEMBL
305280,CCCC(C)([NH2+]CCC[NH3+])C1(C)CC1C,0,GDB ChEMBL
76116,COC(=O)c1sc(N)nc1[N+](=O)[O-],1,GDB ChEMBL
78611,CC(O)c1cc(S(C)(=O)=O)c(=O)[nH]n1,1,GDB ChEMBL
252568,COC(CC(O)CC1=NCC(=O)O1)C(N)C#N,1,GDB ChEMBL
251024,[NH3+]CCCNc1cc[nH]c1OCCO,0,GDB ChEMBL
305082,CC[NH2+]C1(C)CC(C=O)CNC(=O)C1C(N)=O,0,GDB ChEMBL
194527,Ic1ccc(CC23CCCC(CC2)CC3)cc1,1,GDB ChEMBL
35335,CCc1c(Cl)cc(C)c2c1CC(C)N2,1,GDB ChEMBL
51345,CC(=O)NCC1CC2OC1CC(C)C2C(C)C,0,GDB ChEMBL
362333,CCCC1C(C2CO2)CN(C)C(=O)N1C=O,0,GDB ChEMBL
80464,N#CC(O)CC1OC(C(N)C(N)=O)C(O)C1O,0,GDB ChEMBL
383280,CCc1cc(C)c(C(C)C)cc1Br,1,GDB ChEMBL
182088,C#CC[NH+]1CCCC(C[NH3+])C1,0,GDB ChEMBL
300906,COC1OC(=O)N2C(C(=O)[O-])C12CO,0,GDB ChEMBL
142935,CNC1(C(C#N)CC(=O)[O-])CC([NH3+])CC1(C)O,0,GDB ChEMBL
41326,COCC1OC2CC(C)C2C1O,1,GDB ChEMBL
243736,Cc1occ(CC[NH+](C)C)c1NC(N)=O,0,GDB ChEMBL
305192,CC1C([NH3+])COC2C(=O)OC1C2O,0,GDB ChEMBL
60657,Cc1cccc(OCc2cnnnc2)c1,1,GDB ChEMBL
59603,Oc1nc2c[nH][nH+]cc-2c1CC1CCC[NH2+]1,0,GDB ChEMBL
186681,CC1CCCC2(C)C(=CCC2C)CC1,0,GDB ChEMBL
99679,CCCC(CC)CCC1(C)C=CC(C)C1,0,GDB ChEMBL
386536,CC1CC(O)C2CC1COCCCC[NH+](C)C2,0,GDB ChEMBL
33279,CCCC1CC2CC(O)CCC2(C(C)(C)C)C1,0,GDB ChEMBL
390073,CC(=O)CCC(C)NC1=[NH+]CCCC1O,0,GDB ChEMBL
210148,C#CCc1c(OC(C)C=O)cccc1C(C)O,1,GDB ChEMBL
206778,CC1C[NH2+]CC(CC(O)C([NH3+])CN)C1,0,GDB ChEMBL
112655,COC1C=C(C)CC(C)C1,1,GDB ChEMBL
23455,CC[NH+](C)C1CC1,1,GDB ChEMBL
148797,CCC(C)CCC#CC(CC)C(F)(F)F,1,GDB ChEMBL
9688,CC12Cc3cc(I)ccc3C(C1)C1CC[NH2+]C12,0,GDB ChEMBL
164654,CC1COC(=O)NC(=O)C(N)C2(O)CC2N1,0,GDB ChEMBL
345396,CCCN1CC2[NH2+]CCc3cscc3CC21,0,GDB ChEMBL
235625,COCC1(C2C=CC[NH+]2C)CCCC1,0,GDB ChEMBL
28193,Cc1cc(Cl)c(C(=O)NCC(C)C)c(Cl)c1C,1,GDB ChEMBL
366521,C#CC1C(OCC(C)CCC)C1(C)OC,0,GDB ChEMBL
207333,C#CCCC1CC(C)CC=C1C(C)C,1,GDB ChEMBL
307589,[NH3+]CC1CC([NH3+])C2OC(=O)CNC12,0,GDB ChEMBL
60965,CC1C=C(C=O)CN(C)C(=O)CCC1=O,1,GDB ChEMBL
120517,CCC1CCc2scc(N)c2NC1,1,GDB ChEMBL
48216,Nc1nn2ccc(Br)c(S(N)(=O)=O)c2c1[O-],0,GDB ChEMBL
139788,C#CC(C#C)(C#C)CC(CCC)C1CC[NH2+]C1,0,GDB ChEMBL
216582,C#Cc1cc2c(Br)coc(=O)c2cc1OC,1,GDB ChEMBL
124202,[NH3+]CCC1CCCC1Oc1nccnn1,0,GDB ChEMBL
210983,COC1(C)C=CCC(NC=O)COC1=O,1,GDB ChEMBL
387287,COC(=O)C1C(O)C(N)C2C1N2C(N)=[NH2+],0,GDB ChEMBL
106635,C#Cc1c(F)cc(F)cc1C(C)(CC)C(C)C,0,GDB ChEMBL
130211,COC1C(=O)NC(=O)CC2(O)C(C)[NH2+]CC12N,0,GDB ChEMBL
20518,CCCC1C(C)C2CC1(C1CCCC1)CC2C,0,GDB ChEMBL
140745,CCC[NH+](C)C1CCCCC(C)(CC(C)=O)C1,0,GDB ChEMBL
175531,COC1C(C)CCCC12CC([NH3+])C(=O)N2,0,GDB ChEMBL
72034,C#CC1CC1Cc1ccc(Cl)cc1Cl,1,GDB ChEMBL
358934,CC1=CC(C2C=CCC2C)CCCC1,0,GDB ChEMBL
331196,C[NH2+]C1CCC([NH3+])(C(C)NC(C)=O)C1(C)C,0,GDB ChEMBL
397038,CCC([NH3+])C1C2NC(=O)OC21C,0,GDB ChEMBL
280294,C[NH2+]C1CNC(=O)OC1C,0,GDB ChEMBL
98903,COC1CC2C(O)CN(C1)C1C[NH+]2C1CO,0,GDB ChEMBL
240474,C#CCC1(COC)C#CCCCCCC1C,0,GDB ChEMBL
116345,C1CCCC2OCCCC2CC2CC2CC1,1,GDB ChEMBL
376668,CCC[NH+]1CC2(C(C)C3CC3)CC1C2,0,GDB ChEMBL
296034,CCOC1(C(=O)[O-])CC1C,0,GDB ChEMBL
253593,COC(=O)C1C(O)CC2CC1NC2=O,0,GDB ChEMBL
250623,C[NH2+]CC(NC=O)C(NC(N)=O)C(=O)[O-],0,GDB ChEMBL
223292,CC1NC(=[NH2+])NC(=N)NC1=O,1,GDB ChEMBL
119932,CCCC(CCCOC)CCC1(C)CC1,1,GDB ChEMBL
387256,CC1CCC(C)C1C1CC[NH+]1C,0,GDB ChEMBL
140297,COCC1CCC2=CC([NH3+])C(O)C21,0,GDB ChEMBL
70094,CCC1C2CC(C)[NH+]1C(CC#N)C2,0,GDB ChEMBL
356515,NC(=O)C1(C(O)CNC=O)CNC(=O)COC1,0,GDB ChEMBL
153327,CC(C)C1(C(=O)[O-])CCC2CCC(C2)C1(C)O,0,GDB ChEMBL
169107,COc1cc2c(C)ncc2c2ccccnc12,0,GDB ChEMBL
382512,CCOc1cncn2c(C[NH3+])c(C#N)nc12,0,GDB ChEMBL
315145,CC#Cc1cc(F)nc(C2C[NH2+]C2)c1O,0,GDB ChEMBL
300120,Cc1cc(=[NH2+])c(CCC[NH3+])ccc(N)ccs1,0,GDB ChEMBL
83077,CNC(=O)OC1C(=O)NC(C)C1[NH3+],0,GDB ChEMBL
119274,C[NH+](C)C1CC2(C)CCC1C2,0,GDB ChEMBL
83484,[NH3+]CC12CC1OCCNC2=O,0,GDB ChEMBL
230247,CS(=O)(=O)NCC1OC1C(O)C(=O)[O-],1,GDB ChEMBL
386585,C[NH2+]CC1C=C2CCOC2C1,0,GDB ChEMBL
185911,CC1=CCc2c(Br)cccc2C=CC1C,1,GDB ChEMBL
190091,CN=C1C(N)C(=O)NC(=O)N1CC#N,0,GDB ChEMBL
281818,CCc1c(CS(=O)(=O)CO)ncc(Cl)c1C,0,GDB ChEMBL
218293,N#CCC[NH2+]CCCCN(C=N)C=O,0,GDB ChEMBL
305237,NC(=O)c1cnccc1Br,1,GDB ChEMBL
363137,CC1CC2OC(C=C1C(=O)[O-])C([NH3+])CC2[NH3+],0,GDB ChEMBL
247601,CC#CC1CC(C)C(CC)C(C)O1,0,GDB ChEMBL
389416,C[NH2+]C1C[NH2+]CC2C(C)C2C1,0,GDB ChEMBL
144638,COCCC1C2C(=O)NC1(C(N)=O)C(N)C2[NH3+],0,GDB ChEMBL
146962,C[NH2+]Cc1cc(N)c(O)cccccn1,0,GDB ChEMBL
244622,CC1CC2CC1C1C(O)C21NC(=O)CC[NH3+],0,GDB ChEMBL
279278,COCC1(O)CC=CC1[NH3+],0,GDB ChEMBL
151742,CCCC#CC1(C)C(C)C=CCCC[NH+]1C,0,GDB ChEMBL
274852,CC[NH+](C)CC1C2CCCCC1(C#N)C2[NH3+],0,GDB ChEMBL
374386,CCC1C=CC2C(C)NC(=O)N12,0,GDB ChEMBL
261227,NC(=[NH2+])CCNC(=O)OCCOC(N)=[NH2+],0,GDB ChEMBL
140294,COC(=O)c1c(N(C)CC#N)nnn1C,1,GDB ChEMBL
62809,CCCC(C1CC1C)C(C)(C)CC(C)CC,0,GDB ChEMBL
309186,C[NH2+]C1CCC(C)=CCCC1C,0,GDB ChEMBL
34881,CCCC(O)(CC)C1CCN1C(=O)N(C)C,1,GDB ChEMBL
382159,CCc1c(C(F)(F)F)ncn1C1(C)CCC1,0,GDB ChEMBL
208613,C#CC1CC(C)(C[NH+](C)C)CO1,0,GDB ChEMBL
251051,CCCC12CC1C1COC2C(=O)N1,0,GDB ChEMBL
370279,N#CC1N=C(N)N(C(=O)CO)C12C[NH2+]CC2N,0,GDB ChEMBL
273387,CCOCC1=CC2COC(C)C1CNC2=O,0,GDB ChEMBL
134769,C[NH2+]CCC(C#N)C[NH3+],0,GDB ChEMBL
153321,CCNC(=O)OCCc1cc(C=O)c[nH]1,1,GDB ChEMBL
304460,C#CCC(C)CCCC(CC)(CC)OCC,1,GDB ChEMBL
285064,CCCC(=O)c1nc([O-])[nH]c(=O)c1[O-],0,GDB ChEMBL
347906,CC[NH+](C(C)C)C1(CCC[NH3+])CCC1,0,GDB ChEMBL
270055,COCC(CC(C)C[NH3+])C1CC2CC(C)C1[NH2+]2,0,GDB ChEMBL
32005,CCC(C1CC(C)=CC1C)[NH+](C)C,0,GDB ChEMBL
203589,C[NH+]1C2CC2CCC1(C)CCC#N,0,GDB ChEMBL
304461,N#Cc1cnn(CC(O)C(=O)[O-])c1[O-],0,GDB ChEMBL
374194,CNC1C(=O)OCC2CN3CC3C1CC2O,0,GDB ChEMBL
195523,C[NH+]1CC(CC2(CO)CO2)C1,0,GDB ChEMBL
172388,COC1C(=[NH2+])NCCNC1=O,0,GDB ChEMBL
246782,CC#Cc1cccc2c1C(C)(C)CC(C)C2,1,GDB ChEMBL
196537,CC1CC2(C1)CC(O)CC21CC(C)C1,0,GDB ChEMBL
248243,C#CCCc1cc(Cl)c(C(C)C)cc1Cl,1,GDB ChEMBL
101539,CCC1(C)C2CC2CC2CCCC(O)C21,0,GDB ChEMBL
233405,CC[NH2+]C1C2c3cccc(F)c3C1C2C,0,GDB ChEMBL
176412,CC[NH+](CCO)CCCC1C[NH2+]C1,0,GDB ChEMBL
274162,Cc1c(Cl)nc(C2CC2)c(O)c1N,1,GDB ChEMBL
349617,CC(=O)NC(C)(C=O)c1cncnc1,1,GDB ChEMBL
79583,CC1(C)CCC2CCC=CC2C1,1,GDB ChEMBL
389633,N#CC1NC2C(=O)NC(CC[NH3+])CNC2C1N,0,GDB ChEMBL
204158,NC(=[NH2+])c1csc(C(=O)c2cccc(O)n2)c1,0,GDB ChEMBL
170247,CN1Cc2cc(F)c(F)cc2C=CC1=O,1,GDB ChEMBL
189772,CC[NH2+]C12C=CC(C1O)N(C)CCC2,0,GDB ChEMBL
123023,C=CC1CCCC(C)C(C(C)C)C1,0,GDB ChEMBL
119272,CCNC(N)=[NH+]CC[NH2+]C,0,GDB ChEMBL
161072,CC(C(=N)N1C(=O)C([NH3+])CC1C)C(C)C(=O)[O-],0,GDB ChEMBL
307592,CCC1CC2(C#N)CC(O)C1(C)C[NH+](C)C2,0,GDB ChEMBL
334794,C#CC1C#CC(C)(C)[NH2+]CCCC1,0,GDB ChEMBL
331516,O=C1CCS(=O)(=O)CCNCC2(O)CN1C2,1,GDB ChEMBL
61817,Clc1ccc2c(c1)NCCNC=[NH+]C1CC21,0,GDB ChEMBL
47398,C[NH+]1CCC(=O)OCC12CC(O)C2,0,GDB ChEMBL
18632,C#CC1OC(CO)C(C)C1[NH3+],0,GDB ChEMBL
112049,CCCC1(O)CCC2CC2(C)C1C(C)OC,0,GDB ChEMBL
17281,CC1C([NH3+])C(O)C2C(CCO)OCOC(=O)N12,0,GDB ChEMBL
377779,CCCC12CC1C([NH3+])CC2O,0,GDB ChEMBL
76517,CC(=O)OC1(C([NH3+])CO)C(=O)[N-]C1C#N,0,GDB ChEMBL
153292,COCC1N(CCC=O)S(=O)(=O)CC12CC2,0,GDB ChEMBL
259496,O=C(CN1CCC(O)C1=O)N1CC1,1,GDB ChEMBL
51828,C[NH+]1C2C=CCC1CCC(C)(O)CC2,0,GDB ChEMBL
283403,CCCCC1CC2CC2(C)C1CC,0,GDB ChEMBL
211001,N#CC(N)C(NC(N)=[NH2+])C(O)C([NH3+])CO,0,GDB ChEMBL
342361,C#CC(C)C1(C)CCCC1C(N)=O,0,GDB ChEMBL
396122,C#CC1CCCC1c1c(C)c(C)cc(Cl)c1Cl,1,GDB ChEMBL
272535,CC(C)Cc1nc(OCC#N)sc1CO,1,GDB ChEMBL
186780,CCOc1cc(N(C)C)n(CC(C)=O)c1C,1,GDB ChEMBL
29957,CC12CC(=O)OCC1OC1CC12,0,GDB ChEMBL
389481,CC1CC2(C)CC=CC2C[NH2+]1,0,GDB ChEMBL
341359,CC1[NH2+]C2C=CCC(=O)NCC12,0,GDB ChEMBL
336072,Brc1cccc(Br)c1C#CC1CC=CC1,1,GDB ChEMBL
380558,O=C1CCC2CNC1C[NH2+]CCO2,0,GDB ChEMBL
72411,[NH2+]=C1NCC(C(C[NH3+])C[NH3+])O1,0,GDB ChEMBL
377284,CC[NH+](CC)CCC1OC(=N)OC(CO)C1=O,0,GDB ChEMBL
294749,CCC1NC(=O)C(C(O)C=NO)C(O)C1O,1,GDB ChEMBL
29427,CC(C)NC(=O)NC(=N)N(C)C=[NH2+],0,GDB ChEMBL
259333,C#CCc1cc(C)c(F)c(F)c1CCCC[NH3+],0,GDB ChEMBL
341346,C[NH2+]CCC(=O)Nc1cc(=O)ocn1,0,GDB ChEMBL
379831,C1=CC[NH2+]CC2(CCCC1)CO2,0,GDB ChEMBL
150551,CNC(=O)C1CC2CC1([NH2+]CCO)CC2(C)C,0,GDB ChEMBL
46017,C[NH2+]C1CCCC2(C[NH3+])C1OC1(C)CCN2C1,0,GDB ChEMBL
248211,CS(=O)(=O)CCNC1=[NH+]C2C(CO)C2N1,0,GDB ChEMBL
301385,CCc1cc(C)c(C2(C)NC2(C)C)cc1Cl,1,GDB ChEMBL
682,CC1CNC(=[NH2+])OC1CO,0,GDB ChEMBL
374946,CCC(C)(C)C1CC2C(C)[NH+](C)CC21O,0,GDB ChEMBL
178011,C=CCC1(CC)CCCCC(=C)C1,1,GDB ChEMBL
146927,C#CCC1[NH2+]CC(CCCC)(OC)C1C(N)=O,0,GDB ChEMBL
263211,CC[NH+](CC)CC(C(N)=O)C(O)(C=O)COC,0,GDB ChEMBL
307975,NC(=O)C1C[NH2+]CC(O)C2CN12,0,GDB ChEMBL
298915,Cc1ccc(COC=O)cc1Cl,1,GDB ChEMBL
305358,CCCCC(C)(c1ccc(C)cc1F)C(C)C,1,GDB ChEMBL
309165,C#CC12CC1[NH2+]C(C)CC(O)CN2CC,0,GDB ChEMBL
165987,CCC(CC1OC(C)C(O)C1O)C(N)=O,1,GDB ChEMBL
255118,CC(C)c1cc(Cl)c2c(c1)C1(CCCC1)OC2,1,GDB ChEMBL
174221,CNC(=O)OC1(C)C([NH2+]C)C12CNC(=O)N2,0,GDB ChEMBL
331166,CC(C)C1NC(=O)CNC1=[NH+]CC1COC1,0,GDB ChEMBL
316156,CCc1cc(Br)c([O-])c2nc(C)cn12,0,GDB ChEMBL
93101,CC1C=C2C(CCN2C(=O)C([NH3+])CO)[NH2+]C1,0,GDB ChEMBL
222847,COC(=O)C(N)C(C)OC(=O)C(O)(C#N)CN,1,GDB ChEMBL
31056,C[NH2+]CC(N)COC1OC(=O)C2OC12C,0,GDB ChEMBL
223990,CC[NH2+]C(C#CC1(C)CC1)CC,0,GDB ChEMBL
337202,CC[NH2+]C1CCNC2(CO)C(N)C12,0,GDB ChEMBL
181150,COC(C)C(C(=O)[O-])C1OC2CC1(C#N)C2,0,GDB ChEMBL
281640,C[NH2+]CC(=O)NC(C)c1csc(=N)c(N)c1O,0,GDB ChEMBL
284310,O=C([O-])C(CO)C(=O)[N-]S(=O)(=O)CC1CC1,0,GDB ChEMBL
119802,COCC12C(=O)CC(CN(C)C1=O)N2C,0,GDB ChEMBL
214050,O=C([O-])C1C2C(=O)CC(=O)N12,0,GDB ChEMBL
372701,COC(=O)N1CC2C(C3C[NH2+]3)CC1C2C[NH3+],0,GDB ChEMBL
136526,CCCCC[NH+]=C(N)C1(C)C(O)C1(C)O,0,GDB ChEMBL
112545,N#CC(CC=O)CNCCOC(N)=O,1,GDB ChEMBL
190483,CC1CCC2C(C=O)[NH2+]CC2(C)C[NH+]1C,0,GDB ChEMBL
85849,NC12CCCNC(=[NH2+])NC1C2(N)CC(=O)[O-],0,GDB ChEMBL
249441,OCC[NH2+]C1CC(O)C(O)C2OC2C1,0,GDB ChEMBL
84236,C[NH2+]C(C)C1OC(=O)C(N)C1CO,0,GDB ChEMBL
207341,CCC(=O)C12CCCCCC(C1)C(C)C2C#N,0,GDB ChEMBL
289440,CC1CCC(O)C2C(C[NH2+]CCO)N12,0,GDB ChEMBL
306391,C#Cc1c(I)ccc(C(C)OC)c1N,1,GDB ChEMBL
355368,OCCC[NH+]1CC=CC(O)C1C1CO1,0,GDB ChEMBL
201417,COC1CC(O)C2C(OC)(C(=O)[O-])C12O,0,GDB ChEMBL
66201,C#CC(=O)N(CC)C(C)(C)C,1,GDB ChEMBL
120361,CC1(C)CCC2C=CCCC(C)(C)C2C1,0,GDB ChEMBL
249434,CCC(C)C1C2(C)CCC1(C)C(=O)CN(C)C2,0,GDB ChEMBL
2341,CC1(CCO)C[NH2+]C(CO)CC2CC2C1,0,GDB ChEMBL
43577,COCC(=N[O-])C(=O)CC(O)C(N)=O,0,GDB ChEMBL
217100,C[NH2+]C1CC(C(C)C)C(O)C1(C)CNC(C)=O,0,GDB ChEMBL
228505,N#CC1C2CCNC1C([NH3+])C2O,0,GDB ChEMBL
353585,N#CC1OC(=O)C2(CC2)NC1CCO,0,GDB ChEMBL
259463,Cc1c(Cl)nc(=N)n(C2CCC2)c1C(=O)[O-],0,GDB ChEMBL
371700,C[NH+]1CC=C2c3cccc(F)c3CC2CC1,0,GDB ChEMBL
50979,COCc1onc(N)c1CC1CC1,1,GDB ChEMBL
112421,COC12CCOCC1COC2=O,0,GDB ChEMBL
132994,Cc1cccc(C23CC2OC(C)(C)O3)n1,1,GDB ChEMBL
106639,CCc1cnc(CC2(O)CC2)c(Cl)c1O,1,GDB ChEMBL
252290,CC#CC(C)(C)Cc1c(C)ccc(C)c1Cl,1,GDB ChEMBL
300738,CN(C)C1(C#N)C(CO)C1CCC(C)(C)O,0,GDB ChEMBL
113615,Cc1cc2n(c1)C1CCC(C)(CO)C1CCN2,0,GDB ChEMBL
288972,CC(O)C1[NH2+]CC(C)C(C)C1O,0,GDB ChEMBL
160323,C#CC(C)CC(C)CC(CCCO)CC(C)C,0,GDB ChEMBL
254967,CN1C(N)=[NH+]CC23OC(=O)C4NC(=O)C12C43,0,GDB ChEMBL
83107,C[NH+]1CCCC1CC1NC(=O)CC1=O,0,GDB ChEMBL
220130,COC(CC(=O)[O-])C(C=O)OC(N)=O,1,GDB ChEMBL
4918,CCC1CC(C)c2cc(Br)ccc2C(=[NH2+])N1C,0,GDB ChEMBL
61540,CCCC(CC)C(C1CC1)C(C)C([NH3+])CC,0,GDB ChEMBL
284294,CCC(C)(C)[NH+](C)C1C=CCC1,0,GDB ChEMBL
141951,Cc1cc(Br)c(C)c(C2=CCCC2)c1C,1,GDB ChEMBL
378075,C=C(C)C1CC=C(C)C1C(C)CC,0,GDB ChEMBL
339034,C#CC1OC2CC1C(C)(C(C)[NH2+]C)C2,0,GDB ChEMBL
225846,CC#Cc1cc(Cl)c(C)cc1C1CC1C,1,GDB ChEMBL
378070,CCCC(O)(C[NH2+]C)C(C#N)C[NH3+],0,GDB ChEMBL
23597,CC1C2C3CCC(CC2[NH+](C)C1C)O3,0,GDB ChEMBL
33846,CCC1([NH3+])CC(C(F)(F)F)C1NC(C)=O,0,GDB ChEMBL
172361,[NH3+]C(C(=O)[O-])C(O)C1NC1C(O)C(=O)[O-],0,GDB ChEMBL
202818,CC1CCC2C(O)C3C[NH2+]C(COC3)C2C1,0,GDB ChEMBL
395170,CNC(=O)C(CC(=O)[O-])OC(CO)S(=O)(=O)[O-],0,GDB ChEMBL
308274,CC1OC2(C)CCCC(C#N)CC2C1C,0,GDB ChEMBL
217118,NC(=O)CCc1nscc1[O-],0,GDB ChEMBL
363138,C#CCc1cc(C(C)C)cc(Br)c1C#C,1,GDB ChEMBL
377771,COC(=O)C(N=C1CCO1)C(N)=O,0,GDB ChEMBL
121962,CCCC1=C(C(=O)[O-])C(CC)CC1C=NO,0,GDB ChEMBL
40380,CC1C=C2CCCC23CCCCC3C(O)C1,0,GDB ChEMBL
374187,C[NH+]1CC2CC(N)C1C1C=CCC2C1,0,GDB ChEMBL
29193,CCC(CC1CC[NH2+]1)C(C#N)N(C)C,0,GDB ChEMBL
62003,CC(C)(C)n1cnc(C#N)c1C=O,1,GDB ChEMBL
222098,COC1C(O)CC(CC=O)CC1(C)OC,0,GDB ChEMBL
169374,COC(=O)NC1C[NH2+]CC2(CC(=O)C2)OC1,0,GDB ChEMBL
338941,CCCC1CC(C)(C)C(C)CC=C1C,0,GDB ChEMBL
115143,CCC(=O)C1=CCC(C2CCC(=O)NC2)C1,0,GDB ChEMBL
200550,CCc1c(F)cnc(F)c1CC1(C)CCCC1,1,GDB ChEMBL
379723,C[NH2+]CC(c1cc([N+](=O)[O-])cc(N)n1)N(C)C,0,GDB ChEMBL
333051,C#Cc1c(Cl)cc(C)cc1CC1CC1C,1,GDB ChEMBL
31360,CC[NH+](C)C1(C(C)O)CC([NH3+])CNC1C,0,GDB ChEMBL
292503,CCC1OC(CC)C(C[NH2+]C(C)CO)=C1C,0,GDB ChEMBL
250578,C[NH2+]C1C2OC(=O)C3C(C2O)C13,0,GDB ChEMBL
100714,Oc1cc(C2CC2)n2c1CCC2,1,GDB ChEMBL
160060,C[NH+]1C2CC2C2C(=O)OCC21,0,GDB ChEMBL
10630,CC1CC(C)(C[NH3+])OC1C,0,GDB ChEMBL
251822,[NH3+]Cc1nc(CC2CC2)cs1,1,GDB ChEMBL
194539,CCC(C)C1(C)CC2CCC(C)CC(C)C1C2,0,GDB ChEMBL
354816,CC1CCCC1C(C)(CC(C)(C)C)C(C)CO,0,GDB ChEMBL
277599,C#CC([NH3+])CCOCCC,1,GDB ChEMBL
124149,CCc1ccc(C[NH3+])nc1,0,GDB ChEMBL
299955,COC1CN(Cc2cncc(O)n2)C1=O,1,GDB ChEMBL
306393,CC1(O)CC(CC(N)=[NH2+])C(C[NH3+])OC1CO,0,GDB ChEMBL
228468,COC(CO)C(C)C(=O)n1cn[c-](C#N)c1=O,0,GDB ChEMBL
379143,CCCCC(C)(C)C(C)C1=CC(C)CC1,0,GDB ChEMBL
316269,Cc1cc(C#N)c(C#N)coccc1CC[NH3+],0,GDB ChEMBL
305598,COC1(C[NH3+])C(C(C)O)C1(O)CO,0,GDB ChEMBL
184499,CN(C)C1CC([NH3+])C(O)C1[NH3+],0,GDB ChEMBL
157091,CC1C2OC(=O)N(C)C(C(N)=O)C12,0,GDB ChEMBL
242651,CC#CC1(C)[NH2+]CC1CCC[NH2+]CCNC,0,GDB ChEMBL
203271,CNC(C#CCCCN(C=O)C1CC1)C[NH3+],0,GDB ChEMBL
288571,CCC(C)(C)OC(C)=NCc1[nH]cnc1C,0,GDB ChEMBL
222573,Cc1nnsc1C1CCC[NH+](C)C1,0,GDB ChEMBL
340441,CC1CC(C#N)N2CC3CC12C3,0,GDB ChEMBL
120545,CC[NH2+]CC1=CC(C)(C)OC1=O,0,GDB ChEMBL
308002,CC1CC2OC(C)C(C1=O)C2O,1,GDB ChEMBL
346546,CCOC1CC(O)C(C)C1(C)CC=O,0,GDB ChEMBL
376997,CCC(C)Oc1cnc(O)nc1,1,GDB ChEMBL
219519,CCC1(O)CCc2cc(CO)cc3c2C1CC3,0,GDB ChEMBL
95488,C=CCC1(C)C[NH2+]CCC(=O)N1C,0,GDB ChEMBL
144631,COC(C)(CC[NH3+])c1cc(C#N)ncn1,0,GDB ChEMBL
271469,CCCCCC1Cc2cc(Br)cc(C)c2C1,1,GDB ChEMBL
282202,CC1C[NH2+]CC2NCC(OC2=O)O1,0,GDB ChEMBL
44663,C#CC1N(C)CC(=O)C1(C#N)CO,0,GDB ChEMBL
231146,OCCC1CN1CCO,1,GDB ChEMBL
314166,C#CC(O)C[NH2+]CC(C)O,0,GDB ChEMBL
184135,CCCC1CC(C)C(c2c[nH]cn2)[NH+]=CN1,0,GDB ChEMBL
292256,N=CN1CCC([NH3+])C(O)C(NCC(N)=O)C1=O,0,GDB ChEMBL
383749,C=CC1(CCC)C(=O)N2CC2C1C,0,GDB ChEMBL
277787,CCCNC(=O)NC1CCCC2OC12,1,GDB ChEMBL
160842,CC1(C)CC(CNCC[NH3+])(NCC#N)C1,0,GDB ChEMBL
216146,CC1=C(C(N)=O)CCNC(=O)N(C)C1,0,GDB ChEMBL
218791,CC1CCC(C)[NH2+]CC[NH+](C)CC1,0,GDB ChEMBL
222777,CCCC(CC)C1CCC1C(C)C(F)(F)F,0,GDB ChEMBL
95933,CC1(C(O)C(=O)[O-])[NH2+]CC(=O)C12CC2,0,GDB ChEMBL
85714,CCN(C=O)CC(C)COC1CC(C)(C)C1,1,GDB ChEMBL
115967,CCS(=O)(=O)[C-]1C(=O)NC(CO)C(=O)C1O,0,GDB ChEMBL
356822,CCc1ncc(CCO)nc1CCC(=O)CO,1,GDB ChEMBL
300107,C=CC1=C(C)CCC1CC(O)C[NH3+],0,GDB ChEMBL
350924,CC(C)NC=[NH+]CCN1CC=CC1,0,GDB ChEMBL
362867,CC(O)C1C2C(C#N)CCN12,0,GDB ChEMBL
274661,C#CC1C2c3cc(OC)c(N)nc3CCN12,0,GDB ChEMBL
186756,C#CC1C=C(CC(C)C)CC(CO)CC1O,0,GDB ChEMBL
182537,Cc1c(F)cc(C=O)c(F)c1F,1,GDB ChEMBL
26449,CC(C)C1CCC([NH3+])C1C#N,0,GDB ChEMBL
94677,Nc1sc(O)nc1CC(=O)[O-],0,GDB ChEMBL
61775,NC(=O)NCCNC(C[NH3+])CS(N)(=O)=O,1,GDB ChEMBL
21435,CC1(CO)CC([NH3+])C(=O)NC1=N,0,GDB ChEMBL
270034,CC1(C2CCC[NH2+]2)CCCCCCCC1=O,0,GDB ChEMBL
174176,CC(C1CC1)C1CC2C[NH+]1C2,0,GDB ChEMBL
275608,CCC([NH3+])c1cc(C)c(C#CC(C)(C)O)s1,0,GDB ChEMBL
140795,N=C1Cc2c(ncn2CCCCC(=O)[O-])N1,0,GDB ChEMBL
349502,CCN1CC2(C[NH+]3CC(O)C(C)(C3)C2)OC1=O,0,GDB ChEMBL
343236,C[NH2+]CC1C=CCC2OC2C1=O,0,GDB ChEMBL
210186,CC([NH3+])(CO)COc1cc(N)[nH+]c(N)c1,0,GDB ChEMBL
203493,Cc1cc(F)cc2oc(C(C)CCC=O)cc12,1,GDB ChEMBL
116358,CS(=O)(=O)NCC12CC(O)CC1C([NH3+])C2,0,GDB ChEMBL
340122,Nc1nc(F)c(F)c2c1CCC([NH3+])CN2,0,GDB ChEMBL
184245,NC1=NCC(CCCC[NH3+])(C([NH3+])(CO)CO)O1,0,GDB ChEMBL
263519,COC1C2NC(=O)CCC2([NH3+])C1C(C)[NH3+],0,GDB ChEMBL
147583,C=C1CCC2OC(CC1)C2C(=O)[O-],0,GDB ChEMBL
26325,NC1=[NH+]C(C(=O)[O-])C2(O)C(CN1)CC([NH3+])C2O,0,GDB ChEMBL
148172,COC1CC1Nc1c(C)cc(C[NH3+])cc1Br,1,GDB ChEMBL
201136,CCC(C(=O)[O-])(C(=O)[O-])C1=NCCCN1C=O,0,GDB ChEMBL
161013,C#CCC(C)CCC[NH2+]C1CC1,0,GDB ChEMBL
332383,CC(O)C1CC(C(N)=[NH2+])CC1C,0,GDB ChEMBL
379721,CC(=O)OCC(C=O)Oc1nccs1,1,GDB ChEMBL
2977,CCCC(C)C1CC([NH3+])C2CCC(=O)NC1C2,0,GDB ChEMBL
322931,COC1CNCCC2CC(N)(C[NH2+]2)C(C)C1[NH3+],0,GDB ChEMBL
385623,COC(=O)CC(=O)OC1CCCC1C,1,GDB ChEMBL
149404,O=C1C2NCC(O)C1C(CO)CC2O,0,GDB ChEMBL
326420,CN=C(OC(C)=O)c1c[nH]cn1,1,GDB ChEMBL
148495,CCC(C[NH3+])(CC(C)(C)OC)C(N)=[NH2+],0,GDB ChEMBL
135817,NC(C[NH3+])C(=O)NC(=O)NCC(O)C(=O)[O-],0,GDB ChEMBL
317166,Cn1cnc(S(N)(=O)=O)c(NC=O)c1=O,1,GDB ChEMBL
225226,CC(C)C1C(C#N)OCC1C1CCCOC1=O,0,GDB ChEMBL
31030,CCC(C[NH+](C)C)C(C)C1C(C)C1O,0,GDB ChEMBL
286318,CC1CC(C[NH3+])CC2CCC(C1)C2C,0,GDB ChEMBL
239109,C[NH2+]C(C)C1(CC(C)O)C(=O)OCC([NH3+])C1N,0,GDB ChEMBL
175513,CC12CCCCCC[NH2+]C(C1=O)C(C(=O)[O-])C2,0,GDB ChEMBL
221952,CC1C2[NH2+]C(CC2=O)CC1C(O)C(N)=O,0,GDB ChEMBL
394263,Nc1cnc(NC(=O)c2occc2N)c(Cl)n1,1,GDB ChEMBL
70845,CC1=CC2(OCC(=O)[O-])C=C(C)C1O2,1,GDB ChEMBL
165643,CCC1CC(=[NH2+])NCC[NH2+]1,0,GDB ChEMBL
248900,CC(C)OCC1C=C2N(C1)C(=O)CC2(C)O,0,GDB ChEMBL
296400,C[NH2+]C(C)CC1(C(O)COC)C(N)C1[NH3+],0,GDB ChEMBL
84469,[NH3+]CCOC(CC1CC1O)C(=O)[O-],0,GDB ChEMBL
249590,CNC(=O)C(C#N)CN(C=O)CS(C)(=O)=O,0,GDB ChEMBL
301503,CC1=CCCC(CCC(C)(C)C)=CC1,1,GDB ChEMBL
199094,CCCC1CC2OC1CC(C)C2C,0,GDB ChEMBL
34245,CC1CC2CCCCC(C[NH+]3CCCC3)C2C1,0,GDB ChEMBL
289386,C#CC1CC(=O)NC1C(CC)CC(C)=NO,0,GDB ChEMBL
260556,C=CC(=CC(=C)C(C)CC[NH3+])CO,0,GDB ChEMBL
160360,CC(CO)[NH2+]CC1C=CCC1=O,0,GDB ChEMBL
98522,CCc1c(C=O)cnccsc(CO)nc1=O,0,GDB ChEMBL
33253,CCC1CCC2(CCCC2)C1(C)OCC(C)C,1,GDB ChEMBL
1998,CCC(CCO)C(C)CC(C)CCC(C)(C)C,1,GDB ChEMBL
33202,Clc1cccc2c1C1C=CC2CC1,1,GDB ChEMBL
375502,CNC(=[NH+]C)OCCCc1c[nH]cn1,1,GDB ChEMBL
292336,CC(CC(=O)[O-])S(=O)(=O)CC#N,1,GDB ChEMBL
394298,CCCC(=[NH2+])NCC1(CC)CC(C)=CC1=O,0,GDB ChEMBL
350680,Cc1noc(C(C)C(N)=[NH2+])n1,0,GDB ChEMBL
343220,CNC(=[NH2+])N1CC(C)COC(=O)C1=N,0,GDB ChEMBL
227323,Cc1c(C2CCCC2)ccc2ccc(I)cc12,1,GDB ChEMBL
107042,CC(C)C(C)(C)c1ccccc1Cl,1,GDB ChEMBL
248874,CCC1C=Cc2cc(Cl)cc3c2C2C(C3)C12,0,GDB ChEMBL
379170,CCCC1C(C[NH3+])OC(C([NH3+])CC(N)=O)C1[NH3+],0,GDB ChEMBL
76697,CC1OCC2NC(=O)CC2C1C#N,0,GDB ChEMBL
79285,N#CC1N=C(N)OCC1(O)C(N)C(N)=O,0,GDB ChEMBL
338891,C[NH2+]CC(C[NH3+])CC1CCC(C)O1,0,GDB ChEMBL
295936,NC(=O)NCC(CO)(CO)CC=O,1,GDB ChEMBL
300546,NC(=O)n1cnc([O-])c(Br)c1=O,0,GDB ChEMBL
304350,CC1OC(=O)C(O)(C(O)C(N)C[NH3+])C1O,0,GDB ChEMBL
171272,C#Cc1nc(Cl)c(NC)cc1Cl,1,GDB ChEMBL
277441,COCC1OCC(N)=[NH+]CCC1[NH3+],0,GDB ChEMBL
382084,C=CC1=NCC([NH+](C)C2CC2)CO1,0,GDB ChEMBL
361632,CCC1C(O)CCC2(C)[NH2+]C1CCC2C,0,GDB ChEMBL
304309,CCn1cc(C)cc1CC1(C)C[NH2+]C1,0,GDB ChEMBL
392490,N=C1NC(C(N)=O)C(CO)C1(O)C(=O)[O-],0,GDB ChEMBL
182100,CS(=O)(=O)N1CC(C([NH3+])CO)CC1=O,0,GDB ChEMBL
74351,COC1C2OCC[NH2+]CCC12N,0,GDB ChEMBL
383308,CC(=O)C1=C(CO)C(=O)NC(C(C)(C)C)C1,0,GDB ChEMBL
121077,COCC1C=C(C(C)[NH3+])CC=CC1,0,GDB ChEMBL
63096,CC(=[NH2+])NCC1(C)CCc2ncn(C)c21,0,GDB ChEMBL
26461,[NH3+]CCNC1C(O)C1(O)CO,0,GDB ChEMBL
330010,COC1CC1C([NH3+])CNc1nn[nH]n1,0,GDB ChEMBL
243934,CC1=CC(C)C(C2(C)CC(C)CC2C)CC1,0,GDB ChEMBL
220173,CC1(O)CN2C(=O)C(=O)OCC21,1,GDB ChEMBL
31082,COC1CC(O)CC12CCOC(C)C2,0,GDB ChEMBL
70165,N#Cc1cc(C2CCC2)cnc1Cl,1,GDB ChEMBL
303312,COC(C)(C)CCCCn1ncc(N)c1CO,1,GDB ChEMBL
132292,CCC1CCC2(C)CC3C[NH2+]CC3C12,0,GDB ChEMBL
23540,CCC([NH3+])C1(C)CN(C=O)CCC1[NH2+]C,0,GDB ChEMBL
288524,CCC12CCC3CCC3[NH+](CCO1)C2,0,GDB ChEMBL
391761,COC=NC1C[NH2+]C(C(=O)NC(N)=O)C1,0,GDB ChEMBL
375686,CCCC(C(N)=O)C1(C[NH3+])CN1,0,GDB ChEMBL
305611,CCC1=CCC(C)(CC2CCCC2)C1,1,GDB ChEMBL
77852,C=CCC1(C#N)CCC(C=C)[NH2+]C1,0,GDB ChEMBL
368525,CCCc1cc(CCC(C)(C)C)cc(C)c1Cl,1,GDB ChEMBL
167308,CNc1ccc(C[NH2+]CCO)cc(N)cc[nH]1,0,GDB ChEMBL
176492,CC1C(NC=O)CC([NH3+])C1C([NH3+])C(=O)[O-],0,GDB ChEMBL
352669,CCC(C[NH+](C)C)C(C)(C)C1COC1,0,GDB ChEMBL
79625,NC(=O)C1(C[NH3+])CO1,1,GDB ChEMBL
396113,CN1CC(NCC(=O)C(=O)[O-])C1,0,GDB ChEMBL
12757,C#CC([NH3+])C1(Nc2ccn(C)n2)CC1,0,GDB ChEMBL
60620,CCC1[NH2+]C(C=O)CC2OC12,0,GDB ChEMBL
153337,CCC1CC2C(C[NH+]=CN2CC)C(C)[NH+](C)C1,0,GDB ChEMBL
190824,C#Cc1nc(C(=O)NCC=O)cs1,1,GDB ChEMBL
115169,C1=CC23CCCCC2(c2ccccc2)C3C1,0,GDB ChEMBL
370298,C#Cc1cc(C(=O)CCC)c(C)c(Cl)c1NC,1,GDB ChEMBL
298905,C[NH+]1CC2(O)CC(C2)C2CC1CO2,0,GDB ChEMBL
140764,CC=C(CCC)C1(C)CCCCC1,1,GDB ChEMBL
182112,CC1CC2C3CC(CCO3)C2[NH+]1C,0,GDB ChEMBL
300434,Clc1cccc2c1C1C3CCC24CCCC314,0,GDB ChEMBL
372745,Fc1cccc(C23CC=CC2CCC3)c1,0,GDB ChEMBL
317763,CCCC1CC(CCC)(CC(C)C)CC1(C)C,0,GDB ChEMBL
71449,CC([NH3+])C1CCCC2CC2C1O,0,GDB ChEMBL
73310,C[NH2+]CCC1C=CCC1C#N,0,GDB ChEMBL
152521,O=CC1CC2NC(=O)CC(O)C(CO1)CC2=O,0,GDB ChEMBL
180964,O=C1NC2(CCO)C(=O)NCC2(C=N[O-])O1,0,GDB ChEMBL
332387,CC(C)(COC(N)=O)Cc1ncc(C#N)o1,1,GDB ChEMBL
358165,CS(=O)(=O)Nc1c(N)nn2c1NCC2,1,GDB ChEMBL
285775,CS(=O)(=O)[N-]c1c(N)noc1CCC[NH3+],0,GDB ChEMBL
288527,C#CC1[NH+]2CC=CC2CC1(C)CC(C)C,0,GDB ChEMBL
256181,C#CCOc1nc(C)c(C)s1,1,GDB ChEMBL
188464,[NH3+]C1C2C(=O)OCC3(CC13)C2O,0,GDB ChEMBL
204215,CNC(C)=[NH+]C(C)CO,0,GDB ChEMBL
131681,CS(=O)(=O)NC1C([NH3+])C2NC(=O)C([NH3+])CC21,0,GDB ChEMBL
230695,C[NH2+]CC1C(C)CC2C([NH3+])C12OC(C)C,0,GDB ChEMBL
4815,C#CC1(C[NH+](C)CC)CCCC1,1,GDB ChEMBL
350913,C#Cc1nc(C(=O)NCCCO)nc(Br)c1C,1,GDB ChEMBL
177108,CCCn1nc(N)nc1C#CCOC,1,GDB ChEMBL
18650,CC1CCCCC=C2CC1C1CCCCC21,0,GDB ChEMBL
296401,NC(=O)c1scnccncc1[O-],0,GDB ChEMBL
28352,C=CC(N)(C(=O)[O-])C([NH3+])(CC)CO,0,GDB ChEMBL
70162,CC(=O)N1CC=C(CC(C)C)C1C(C)=NO,0,GDB ChEMBL
344392,O=C(CO)C1CCC(CO)[NH+]=CN1,0,GDB ChEMBL
257440,N#CC(CS(N)(=O)=O)N(C=[NH2+])CC[NH3+],0,GDB ChEMBL
205963,CC(C)C1C2CC(=O)CC2C1C(C)C,0,GDB ChEMBL
160322,CC1(C2=CCCc3ccc(Cl)cc32)CN1,0,GDB ChEMBL
336572,O=C([O-])CNC1=[NH+]CCN1,0,GDB ChEMBL
80340,CCC12CC(CO)C[NH+](C)CC#CC1N2,0,GDB ChEMBL
54802,CCC1CC(C)(C(C(C)C)C(C)C)CC1CC,0,GDB ChEMBL
115431,CC(C#N)CC(C)N(C=O)CC(N)C(N)=[NH2+],0,GDB ChEMBL
174850,N#CC(N)(C#N)C(=O)[N-]CC[NH3+],1,GDB ChEMBL
335510,C[NH2+]CC1C([NH3+])(CCS(N)(=O)=O)C1(C)C(=O)[O-],0,GDB ChEMBL
48202,CCC1Cn2cc(N)cc2CCCC(=O)C1C,0,GDB ChEMBL
370346,CCN1C(=O)C=CC12CC2(C)NS(C)(=O)=O,0,GDB ChEMBL
354797,COC1COCC(C)(C)CCC2(C[NH2+]C2)C1,0,GDB ChEMBL
380591,CC(C)([NH3+])C(CO)C(N)C[NH3+],0,GDB ChEMBL
111940,COC(Cc1cc2c(Br)ccnc2[nH]1)C(C)C,1,GDB ChEMBL
133200,CNC(=O)Cc1ccc2nc(O)sc2n1,1,GDB ChEMBL
136421,CC1=CCC2C3CC(CO)CC23CC1,0,GDB ChEMBL
182087,CC(O)C1CCCC1C1C2C=CC(C2)C1C,0,GDB ChEMBL
292719,O=C1C=CCC(c2ccco2)N1,1,GDB ChEMBL
201390,CCC1C(=O)NCC=CC2CC21C=O,0,GDB ChEMBL
175672,CCc1nc(Br)c(C)c(O)c1C1CCC(O)C1,0,GDB ChEMBL
332477,CC1CN(C)C(C(=O)C#N)C(=O)N1,0,GDB ChEMBL
383963,NS(=O)(=O)OC(C(=O)[O-])C1(O)CC1,1,GDB ChEMBL
181395,CCCC1CC2CCC(C)CC2C1[NH3+],0,GDB ChEMBL
287019,CC1(CN(CC[NH3+])CCO)C(O)C[NH2+]CC1O,0,GDB ChEMBL
149325,CC1C([NH3+])C(O)C(N(C)C(N)=[NH2+])C1(N)C(=O)[O-],0,GDB ChEMBL
312840,CCC1=[NH+]CC(C2CCC2)N1,0,GDB ChEMBL
248232,C=C1CC2(C)CCCCCC2C1C,1,GDB ChEMBL
300923,COC1C2NC(CN3CC13)C(=O)NCC2O,0,GDB ChEMBL
148353,CC(=N)NC(=O)C1(O)CCC(N)=[NH+]C1CO,0,GDB ChEMBL
7798,CC[NH+]1C2CCC(CC2C)OCCC1(C)CC,0,GDB ChEMBL
134002,CC1CC([NH3+])C2OCC(O)C(O1)C2NC(N)=[NH2+],0,GDB ChEMBL
10960,CN1CC(S(N)(=O)=O)C(O)CC1CO,0,GDB ChEMBL
345696,CCCC#CC1CCOC1C(N)=O,0,GDB ChEMBL
270078,CCC1CC2=CCN3CCCC([NH2+]1)C23,0,GDB ChEMBL
247638,CC1OC2CN(C)C(=O)C23CC13,0,GDB ChEMBL
299186,CCC(C[NH3+])C1(C)c2sc(N)nc2CC1OC,0,GDB ChEMBL
349994,CCC1(C(N)=O)CC(O)C(C(C)O)OC1CO,0,GDB ChEMBL
370255,NC(=O)CCOC1(C(O)CCO)CNC(=O)O1,0,GDB ChEMBL
393969,CC1[NH2+]C2CCS(=O)(=O)NC(C=O)C1C2C,0,GDB ChEMBL
375144,O=C1CCC2(C[NH2+]CC(Nc3nn[nH]n3)C2)N1,0,GDB ChEMBL
44559,C#CC1(CC(=O)OC)OCCC1[NH3+],0,GDB ChEMBL
294424,CCCC1OC(C)CC2COCC[NH2+]C2C1C,0,GDB ChEMBL
259430,Cc1ccc2c(c(=O)n1)CC1(CC1)O2,0,GDB ChEMBL
152032,CC1CCCNC2(C#N)C(C)CCC2(C)C[NH2+]1,0,GDB ChEMBL
398167,Cc1ncccc1CC1CC1,1,GDB ChEMBL
361120,CCc1[nH]c(C(N)=O)c(C(C)(C)C[NH3+])c1C,0,GDB ChEMBL
253590,CCCC1(CC(F)(F)F)CC1,1,GDB ChEMBL
278824,CC1=CS(=O)(=O)NCC(O)C(=O)OCC1,0,GDB ChEMBL
172782,CCCC#Cc1ccc(Cl)c(Cl)c1C#N,1,GDB ChEMBL
363151,CC1C2(C)CCc3cc(F)ccc3C12C,0,GDB ChEMBL
215445,NC1C(=O)[N-]S(=O)(=O)C2OC2C1CC[NH3+],0,GDB ChEMBL
77373,CC1OC(N)=NC(CS(N)(=O)=O)C1C=O,0,GDB ChEMBL
141922,CC1OCC([NH3+])C(O)C1C(N)=O,0,GDB ChEMBL
248269,CC(CO)n1cncc1C(N)=[NH2+],0,GDB ChEMBL
132672,CC[NH+](C)CCC=CC(O)CCO,0,GDB ChEMBL
43938,CC(C)C([NH3+])(CO)C1CCC1,1,GDB ChEMBL
272558,CCC(O)C([NH3+])C(C(=O)NC)C(OC)C(C)[NH3+],0,GDB ChEMBL
26347,CCC(C)C1CCC2(C)CC1C(=O)C2C,0,GDB ChEMBL
190484,C[NH+]1CC2CC1CC(=CC#N)C2[NH3+],0,GDB ChEMBL
71461,CC(C)CC1c2cc(Cl)ccc2C2CC12,0,GDB ChEMBL
334806,C[NH+]=C(N)NC(=NCCC(N)=O)c1nccs1,0,GDB ChEMBL
274883,C[NH+]=C(NCCCOC)C(NC=O)C(N)=O,0,GDB ChEMBL
190322,CC#CC(C#N)CC1C=CC(=O)CCC1,1,GDB ChEMBL
153330,CCC1(C=O)CC(=O)NC(CCOC)C1(C)C,0,GDB ChEMBL
38766,CCc1c(C)cc2c(C)cccc2c1Br,1,GDB ChEMBL
132419,CN(C=O)C(=N)NC(=O)C(C)(N)CO,1,GDB ChEMBL
389601,CC(=O)NCCC1(CO)C(=O)CN1C,0,GDB ChEMBL
228410,C#CC1(O)C[NH2+]C(C)C(CC[NH+](C)C)CC1O,0,GDB ChEMBL
362165,C#CCC(Cc1cc[nH]c1)CC(CC)C(C)C,0,GDB ChEMBL
147945,CC(C)(O)COc1ccc(CC=O)nc1F,1,GDB ChEMBL
313347,CCCC1(C)C(C)CC(O)C(OC)C1O,0,GDB ChEMBL
182935,C#Cc1cc(F)c(C)c(C(C)C)c1F,1,GDB ChEMBL
205791,C#CC1OC2(CCC2)CN(C(N)=O)C1C,0,GDB ChEMBL
378569,CCNc1c(F)cc(C)c(O)c1C(C)(C)O,1,GDB ChEMBL
122668,C[NH2+]C(CO)C1(C[NH3+])C=CCCC1C,0,GDB ChEMBL
203553,CC1CC2C([NH3+])C3C[NH+]2CCC13,0,GDB ChEMBL
137447,CCC1C=CC(C)C1C#N,1,GDB ChEMBL
343971,CC12CC(CO1)C1[NH2+]CC(O)C12,0,GDB ChEMBL
238526,CC1CCCC1C1CCCCC1,1,GDB ChEMBL
181697,COCC1C(=O)C(C(C)(C)C#N)C=C1C,0,GDB ChEMBL
132530,CCC(CC(C)C#N)C(C#N)CCO,0,GDB ChEMBL
156725,[NH3+]CCN1C(CO)C1C(O)CO,0,GDB ChEMBL
209419,C#Cc1cc(O)nc(CC(C)=O)c1,1,GDB ChEMBL
9902,CNC(=O)c1oc(N)nc1OC,1,GDB ChEMBL
101515,CC1CC2C[NH2+]C3CCC(C3)C1C2,0,GDB ChEMBL
249449,NCC1(C[NH3+])C(CO)[NH2+]C1C(=O)[O-],0,GDB ChEMBL
91205,CCC12COC1CCCC2C(C)OC,0,GDB ChEMBL
132176,N=C(C(N)=O)N(C=O)CCO,1,GDB ChEMBL
377318,CCC1C2CCC(CC2(C)C)[NH+]1C,0,GDB ChEMBL
216152,CCC1C(CO)C1(CC)C[NH3+],0,GDB ChEMBL
37179,CC1(C)Cc2cc(C[NH3+])cc(I)c2CC1(C)C,0,GDB ChEMBL
115877,COCC1CC2CCCC2CC1O,1,GDB ChEMBL
188521,CC1CN2C(=O)C([NH3+])CC2C1O,0,GDB ChEMBL
31306,C[NH2+]CC(=NO)C1C[NH2+]CCCCC(=O)C1,0,GDB ChEMBL
366480,CC(=O)c1c(F)cccc1C1C(C)N1C,1,GDB ChEMBL
83517,CC([NH3+])(C1COC(=O)N1)C(CO)OCC(=O)[O-],0,GDB ChEMBL
263483,NC(=O)NCCCC(O)S(N)(=O)=O,0,GDB ChEMBL
271799,COC(=O)N(C)C1C(N)C1(C)S(N)(=O)=O,0,GDB ChEMBL
280707,CC1C2N(C)C(=O)C(CO)C12[NH3+],0,GDB ChEMBL
66656,COC1OCCNC(=O)C2OC12,0,GDB ChEMBL
156036,CC#CC(CC[NH+]=CN)C(=O)[O-],0,GDB ChEMBL
214874,COC1CC2(CCCO2)C2C[NH2+]C12,0,GDB ChEMBL
161968,CC1C(CCO)OC(=O)NC2CN(C)C=[NH+]C21,0,GDB ChEMBL
323194,CCCNc1c(C(F)(F)F)ncc(O)c1I,1,GDB ChEMBL
396115,CCC1CC2C[NH+](C)CCC23CC13C,0,GDB ChEMBL
177038,COC1CCC2CC(C)[NH+](C)C21CCC(C)[NH3+],0,GDB ChEMBL
174167,CC([NH2+]CCS(=O)(=O)[O-])C1(O)C=CCOC1,0,GDB ChEMBL
358094,CC(C)CC12C=CCCCC1O2,1,GDB ChEMBL
112576,CCC1C=CC(C)=C2CCC(CC2)[NH+](C)C1,0,GDB ChEMBL
337793,CC(O)C(C[NH+](C)C)Nc1c[nH]c(=O)cc1Cl,0,GDB ChEMBL
173173,CCC(CC)CC(C)c1ccc(Cl)c(Cl)c1Cl,1,GDB ChEMBL
249482,COCC1CNC(CS(N)(=O)=O)=N1,1,GDB ChEMBL
316281,CNC(=O)NC1CN2C(C=O)C2C1O,0,GDB ChEMBL
322888,O=C1NC(C(=O)[O-])CC[NH+]2CCC(N1)C2CO,0,GDB ChEMBL
248255,CC[NH2+]CCC12CCCC[NH+](C)C1C2,0,GDB ChEMBL
140829,CC#CC1CC(C)C(C(O)CCC)CC[NH2+]1,0,GDB ChEMBL
195305,CC1CCC2C(C)C1C1=CCCCCC12C,0,GDB ChEMBL
281693,CC12CCC(=O)c3c(Cl)cc(N)nc3C1O2,0,GDB ChEMBL
398713,CN1C(=O)NC2COC3CNC(N)=[NH+]CC3C21,0,GDB ChEMBL
354019,C1=CCC2C3CCc4ccccc4C23CC1,0,GDB ChEMBL
281646,[NH3+]CCC(O)C(O)CN1CC([NH3+])C(O)C1C[NH3+],0,GDB ChEMBL
262210,C#CC(CCC(=O)[O-])n1nncc1C,1,GDB ChEMBL
367660,CC1(C)CC(O)C2CC3CCOCC3[NH2+]C1C2,0,GDB ChEMBL
350920,CCCCC1C(C)CC[NH+]2C(C)C12,0,GDB ChEMBL
115615,CNC(=[NH2+])c1cccc([O-])[nH+]cc(C)[nH]c1=O,0,GDB ChEMBL
236019,Cc1nn(C)c(Oc2cncnc2)cc1=O,1,GDB ChEMBL
305829,CCCC(C)C(O)c1cncc(C(C)C)n1,1,GDB ChEMBL
345499,CCc1cc(C)cc(C#N)c1O,1,GDB ChEMBL
236562,Nc1c[nH]c(=O)c(C(=O)[O-])c1CCO,0,GDB ChEMBL
16729,COC(=O)N1CCOCC(C=O)C(O)C1C=O,0,GDB ChEMBL
374905,CCC1CC2C([NH2+]C(C(N)=O)C2OC)C(=O)N1,0,GDB ChEMBL
218538,C=CC(C1CC1)C(CC)CC1CC1,0,GDB ChEMBL
306413,CCCCCOC1(C2(C[NH3+])CC2)CCCC1,0,GDB ChEMBL
208378,CCC1([NH3+])CC(C(N)=O)C(C)CC1O,0,GDB ChEMBL
174896,CCC(C)C(CO)C(C)C=O,1,GDB ChEMBL
375839,[NH3+]C1c2cncn2CC1CO,0,GDB ChEMBL
288714,CC1CC(=O)CC12C1CC(C[NH+]2C)C(=O)N1,0,GDB ChEMBL
299216,CC1(O)CC(N)=[NH+]C(C(N)=O)C12CO2,0,GDB ChEMBL
86739,C#CCC(C(C)CC(C)(C)C)N1CC1,1,GDB ChEMBL
116026,C#CC(C[NH3+])C1(CC)CCCCOC(CO)C1,0,GDB ChEMBL
228303,CC[NH2+]CC1(C(C)O)CC1,0,GDB ChEMBL
266260,CC([NH3+])CNCC1CN1C(=O)C(O)C[NH3+],0,GDB ChEMBL
30384,C[NH2+]CC12CCC(CCCC(C)C1)C2C,0,GDB ChEMBL
91228,CC1C2CC=CCC([NH2+]CCO)C12,0,GDB ChEMBL
86703,CC(O)C1COC2C(N1)C(=O)[N-]S2(=O)=O,0,GDB ChEMBL
43965,C#Cc1ccc(C)c(CC(C)OC)c1NCC,1,GDB ChEMBL
262200,CC(=O)OCCN=C(N)C(=NO)C(N)=O,1,GDB ChEMBL
358468,CCCC1C2CCCCC2C2CC=C(C)C21,0,GDB ChEMBL
45910,CCCC1C(C)C[NH+]2CC1C(C)C2C,0,GDB ChEMBL
354977,CCc1ccc(C2CCC3CCC[NH+]32)c(C)c1,0,GDB ChEMBL
182238,O=C([O-])C1COC(CCO)C1O,0,GDB ChEMBL
383312,CNC(=O)OC(CS(=O)(=O)[O-])C1(C)COC1,0,GDB ChEMBL
40297,O=C([O-])C1NS(=O)(=O)CC(O)C1C1CO1,0,GDB ChEMBL
175569,CNC(C#N)Cc1nc(CC=O)c(O)cc1N,0,GDB ChEMBL
45057,CCCOCCC1(C(C)O)CC1,1,GDB ChEMBL
9971,CC1CNC(=O)OC2CC(O)C(O)C12O,0,GDB ChEMBL
217028,C[NH+](C)CCC(=N)NC(N)=O,0,GDB ChEMBL
164667,C#CC(CC)CCc1cc(I)ccc1C(C)C,1,GDB ChEMBL
307497,C#CC1C(C)[NH+](CC)CCC1C1(O)CCCC1,0,GDB ChEMBL
193784,[NH3+]C1CC2C3CCNC(=O)C1C32,0,GDB ChEMBL
77284,CC1CNC(=O)C(C)N(C=O)C=N1,0,GDB ChEMBL
142960,COCC1=CC(C)(O)C(C)C[NH2+]C1,0,GDB ChEMBL
263972,CCC1CCCCC(C(C)C(C)C(C)(C)C)C1,0,GDB ChEMBL
115935,C#CC12CC(C)CC(CCCCO1)C2O,0,GDB ChEMBL
375685,CN=CN(C(C)=N)C(=N)NC(C)=O,1,GDB ChEMBL
385479,Cc1cc2ncn(CC#N)c(=O)n2n1,1,GDB ChEMBL
372124,C#CC12CCC[NH2+]CC1CC(C(C)CCC)C2,0,GDB ChEMBL
103428,C[NH2+]C(C)CCN=CNC=O,0,GDB ChEMBL
366053,CC([NH3+])CC1(C)CN(C)C(=O)O1,1,GDB ChEMBL
190830,CCCCOC12C[NH2+]C(CN)C1CNC(=O)C2,0,GDB ChEMBL
247188,Nc1ncc[nH]c(N)c(CC(=O)[O-])c(CO)n1,0,GDB ChEMBL
174018,CC#CC(CCC(=O)[O-])CCC1CC1,0,GDB ChEMBL
202034,CCC(CN)NC(=[NH2+])Cc1nn[n-]n1,0,GDB ChEMBL
64652,C[NH2+]C1C2C(=O)N(C)C1C=C2C,0,GDB ChEMBL
377016,CC1CCC2(C)C(C)CC=CC2C1C,0,GDB ChEMBL
261168,CC(=[NH+]CCO)N(C)c1cc(=O)o[cH-]1,0,GDB ChEMBL
107840,CCC1(CC)CC2CCC=C(C)CC2(C)C1,0,GDB ChEMBL
114814,CCCc1nc(NC(N)=[NH2+])n[nH]1,0,GDB ChEMBL
83151,Nc1ccc(C2CC2)c(F)c1,1,GDB ChEMBL
126607,O=CC1OC(=O)NC2C(=O)NC1C2O,0,GDB ChEMBL
354974,CC1[NH2+]C(C=O)Cc2ncc(Cl)c([O-])c21,0,GDB ChEMBL
248906,CNC(=O)C(C)C1N(C(C)=O)C1(C)C,0,GDB ChEMBL
151140,COC(C1CNC(=O)OCC1O)S(N)(=O)=O,0,GDB ChEMBL
275498,CN1CC2C=CC1(C(=O)[O-])CS(=O)(=O)N2,0,GDB ChEMBL
109747,C[NH2+]C1C(N)C1CC(=O)[O-],0,GDB ChEMBL
115206,C[NH2+]CC(CC(C)N(C=[NH2+])CC#N)OC(N)=O,0,GDB ChEMBL
363773,CN(C=O)C(=O)CC1CNCC(=O)N1,1,GDB ChEMBL
9923,CCCC[NH2+]C(C)(C)C1CCC(CCCC)[NH2+]1,0,GDB ChEMBL
285110,COC(CO)CCC(C#N)Cn1cnnn1,0,GDB ChEMBL
81744,C[NH2+]C1CCC(CO)C(C#N)CC(OC)C1N,0,GDB ChEMBL
98591,C#CC(=O)NC(C(C[NH3+])C[NH3+])C(C)(O)CC[NH3+],0,GDB ChEMBL
369313,C[NH2+]CCOC(=O)CC=O,1,GDB ChEMBL
186698,Nc1nc(C(=O)CCC(=O)[O-])n[nH]1,1,GDB ChEMBL
98892,CC(CO)C1[NH2+]C(C)C(O)C1N,0,GDB ChEMBL
120342,CN1C(=O)C(C[NH3+])N(C=O)C1=O,1,GDB ChEMBL
87119,CC1CCCC2CC(N)(C[NH2+]2)CC1[NH3+],0,GDB ChEMBL
236624,CCC1CCC(=O)CCC2CCC1(CC)C[NH2+]2,0,GDB ChEMBL
199092,CCNCc1ncn(CC[NH3+])n1,0,GDB ChEMBL
156187,CC(O)C1OC(=O)NCC1C(C)NC=O,0,GDB ChEMBL
155163,CC1OC2CC1CCCCC(C)(C)C2C,0,GDB ChEMBL
143140,NC(=O)C1(N)CNC(=O)OC1,1,GDB ChEMBL
363813,COC(C)CN1CC(C)NC(C#N)C1=N,1,GDB ChEMBL
205943,COC1C2CC([NH3+])C(O)C1(CNS(C)(=O)=O)O2,0,GDB ChEMBL
328811,CS(=O)(=O)N1C(C[NH3+])C([NH3+])C1C(=O)[O-],0,GDB ChEMBL
337967,CCC1OCCC2CC2C1[NH3+],0,GDB ChEMBL
337090,CC1OC(=N)NC(=N)N(CC(N)=O)C(=O)O1,1,GDB ChEMBL
157713,CC1=CC2CC=CC2(C(N)=O)C1=O,0,GDB ChEMBL
286339,CCC(C=O)NC(=O)C=O,1,GDB ChEMBL
387239,NC(N)=[NH+]CCNC(=O)Cc1c([O-])coc1N,0,GDB ChEMBL
195345,CC(=O)CC1C(C)C[NH2+]C1C1CC1,0,GDB ChEMBL
222821,CN(Cc1cocc1N)CC([NH3+])CC(C)(C)C,0,GDB ChEMBL
358294,CCCCCC1CCCCC(C)(C)CC1CC,0,GDB ChEMBL
323331,CC1CC(C)(O)C2(CC2)C1=O,1,GDB ChEMBL
83085,N#CC1CC(O)C(C(N)=O)C(O)C1O,1,GDB ChEMBL
247229,CC([NH2+]CC(=O)[O-])C1[NH+]=C(N)C2CC21N,0,GDB ChEMBL
374892,OCc1c2cc(Cl)ccc2nn1CC1CO1,1,GDB ChEMBL
225482,CCCC[NH+]1CC2(OC)CC1C(C)CCC2[NH3+],0,GDB ChEMBL
135409,Brc1cccc(C23CCC4CCC2C43)c1,0,GDB ChEMBL
342629,COC1CC(CO)C2CC=C(C)C2C1,0,GDB ChEMBL
132718,[NH3+]C1CC(=O)[N-]S(=O)(=O)C2C(O)C2C1O,0,GDB ChEMBL
308100,COC1C(C[NH3+])NC2(C)C[NH+](C)C2C1CO,0,GDB ChEMBL
120714,CC12C[NH2+]C(COC(N)=N1)C2,0,GDB ChEMBL
134754,C#CCC1(CC)CCCC2CC[NH2+]C21,0,GDB ChEMBL
333870,CNC(=O)c1snnc1NC(=N)N,1,GDB ChEMBL
247171,CCCC1[NH2+]CCC1(C)C,0,GDB ChEMBL
259433,C#CC([NH3+])(C#C)Cc1ncc(OC)c([O-])c1F,0,GDB ChEMBL
264948,CCC(C)([NH2+]C)C(C[NH3+])NC(=O)COC(C)C,0,GDB ChEMBL
30345,CCCC1=CC2CCCC(C1)C2,1,GDB ChEMBL
281174,NC1C([NH3+])C1C1NC(=O)C(O)C1O,0,GDB ChEMBL
216180,CC1CC2C(C#N)N2CC1CO,0,GDB ChEMBL
391335,Cc1cc(F)c2c(c1O)CCCOCC2C#N,1,GDB ChEMBL
49162,[NH3+]C12COC(C(=O)[O-])CNC(=O)C1C2O,0,GDB ChEMBL
301178,C#CC1CC2CC(C)[NH+]1CC2C,0,GDB ChEMBL
360996,CCCC(C)(CC)[NH+]1CCC(CC)CC1,0,GDB ChEMBL
346990,CCC1C(=O)C2CC[NH+](C)C2CCC1CO,0,GDB ChEMBL
78324,CC(C1CC1)C1C=CC(CO)C[NH2+]1,0,GDB ChEMBL
64682,CC(=[NH2+])Nc1cc(I)cc(C#N)c1CO,0,GDB ChEMBL
367631,C#CC1CC(C)(C(C)C)C(C)C[NH+](C)C1CN,0,GDB ChEMBL
271317,C#CCC1CCCC=CC(C)(C)COC1,1,GDB ChEMBL
179436,O=C([O-])C1C2C3CC3C3CC3C12,0,GDB ChEMBL
147859,CC[NH+]1CC2CC2C2CCC1C2,0,GDB ChEMBL
391284,C#Cc1c(O)ccncocc1N(C)C,0,GDB ChEMBL
247174,N=c1[nH]c(=NCCC(CO)CC(=O)[O-])cno1,0,GDB ChEMBL
389461,CCC1CC(C)[NH+](C)C2CC(C)(OC)C12,0,GDB ChEMBL
194756,CCC[NH+]1CC(C)C(O)(C#CC[NH2+]C)C1,0,GDB ChEMBL
34461,CCC(C)(CC(C)C)C1C(C)=CCC1C,0,GDB ChEMBL
119978,Cc1oc2cc(O)nc(C3CCC3)c2c1C,1,GDB ChEMBL
1472,C=CC1(O)COCC(C)(C(=O)[O-])C1,0,GDB ChEMBL
280591,C#CCC(C)(NC(=O)C#C)C(C)CC,1,GDB ChEMBL
17577,CCCCCCC(C)(C)C#CC(C)(C)C,1,GDB ChEMBL
285605,CCCCC1CC2(CC)CCCC1(CCC)C2,0,GDB ChEMBL
25212,CCCC([NH3+])C(C)(CO)C(NCC)=[NH+]C,0,GDB ChEMBL
54818,CCc1ccnn1CC(=O)C(CC)(CC)CC,1,GDB ChEMBL
374229,CCCC1C(O)C2CC3C[NH+]2C31,0,GDB ChEMBL
363531,CCC#Cc1ncc(N)c(=O)n1CC#N,1,GDB ChEMBL
89151,CCCCCN(C)c1nc(O)no1,1,GDB ChEMBL
153304,C[NH2+]CC(=O)c1nc(CC(=O)[O-])c(C)n1C,0,GDB ChEMBL
352190,CCC1CCCCC2CC(CC1)CC(C)C2C,0,GDB ChEMBL
94903,CC[NH+]1CC=CC(C)=CCC(C)C1,0,GDB ChEMBL
210266,[NH3+]CC1(C[NH3+])CC1(O)C(=O)[O-],0,GDB ChEMBL
386389,C#CC1CC(C)C1OC(C)=O,1,GDB ChEMBL
179345,CNc1cnc2nc[nH]c2cc(CO)sc1,0,GDB ChEMBL
292521,CC(C)=CC(=O)C1CCC(C#N)O1,1,GDB ChEMBL
332362,CC(=N[O-])c1c[nH]c2[nH+]c(N)c(N)cc(=O)c12,0,GDB ChEMBL
151802,CC(O)CC(C[NH3+])C(O)CC1CNC(=O)N1,0,GDB ChEMBL
300448,CCC1=C(C)c2c(oc3cc(C)ccc23)C1,0,GDB ChEMBL
80317,N#CCN(CCO)CC([NH3+])CC(=O)[O-],1,GDB ChEMBL
346860,NS(=O)(=O)C1CC(O)CC(=O)NC1C[NH3+],0,GDB ChEMBL
40398,CCC1=CCC(C)CC2(CC2)C1,1,GDB ChEMBL
362035,CCCC(CCC)CCC1CCC(C)C(C)C1,1,GDB ChEMBL
207705,NC1=[NH+]CC2C(C1)C1C(=O)OC2C1O,0,GDB ChEMBL
203450,CC1([NH3+])CN2C(C[NH3+])C(O)C1C2C(N)=O,0,GDB ChEMBL
40338,CCC1C(C)CCC(O)C=CC2CC21,0,GDB ChEMBL
389503,CC(=O)NC1CNC(=O)C2[NH2+]CC12,1,GDB ChEMBL
167324,CC(C)CC(C)CC(C)([NH3+])CC(F)(F)F,0,GDB ChEMBL
259583,CN1CC1(CO)C(N)C(=O)NCCO,0,GDB ChEMBL
73809,CCNC(=O)N(C(C)C)S(=O)(=O)CC(N)=[NH2+],0,GDB ChEMBL
385982,CC(=O)C1=NC(C(N)=O)CCC(=[NH2+])N1,0,GDB ChEMBL
81793,C[NH2+]C1CC([NH2+]C)C1N(C)CC(C)=O,0,GDB ChEMBL
180969,COC(=O)C(=O)NC1C(C)CNS1(=O)=O,0,GDB ChEMBL
360832,Cc1n[nH]c2c1C[NH2+]CCCN2,0,GDB ChEMBL
358585,CC#CC(C=O)CC(C)O,1,GDB ChEMBL
178005,CCC1NCC(=O)NC1(CO)CCC[NH3+],0,GDB ChEMBL
72372,CCC(=O)N(C(N)=O)S(=O)(=O)CCO,1,GDB ChEMBL
90353,[NH3+]C1CC2(CC1O)NC2C(=O)[O-],0,GDB ChEMBL
215728,CC(c1ccnc(N)n1)C(O)C#N,1,GDB ChEMBL
97125,NC1C2CCCC[NH2+]CC12C[NH3+],0,GDB ChEMBL
398861,C[NH2+]C1C(C)C2OC1C(C)C2O,0,GDB ChEMBL
214740,CCCC1(C)CCCCC2CC3CCCC3C21,0,GDB ChEMBL
51353,CC(C)CC(O)C1OC1C1CC1C,1,GDB ChEMBL
177290,N#CC1(CN)CC(C[NH3+])C(=O)NC(=O)[N-]1,0,GDB ChEMBL
109516,CC1(O)CCC2C(C#N)[N-]C(=O)C2C1[NH3+],0,GDB ChEMBL
362215,C#CCOCCCc1cnc[nH]1,1,GDB ChEMBL
8763,CC1C=CC(C)C12CC[NH+](C)C2,0,GDB ChEMBL
191332,C[NH2+]C1CCC(C)C2CC=CC12,0,GDB ChEMBL
66163,CCCC1C(CS(N)(=O)=O)N1C=O,0,GDB ChEMBL
340548,CC1NC(=[NH2+])C(OC(N)=O)C(O)C1O,0,GDB ChEMBL
225049,[NH3+]CC1C2OC(=O)CC(O)C([NH3+])C12C[NH3+],0,GDB ChEMBL
27752,CC1CCC[NH+]2CC(C)(C2)N1C,0,GDB ChEMBL
40337,CNC=[NH+]CC(=O)Cc1cnn(C)c1,0,GDB ChEMBL
29720,CCCC(C)(CO)C(C)(O)COC,1,GDB ChEMBL
377005,Cc1nc(C=O)n(CC(C)C(=O)[O-])c1O,0,GDB ChEMBL
47532,C#CC1(c2c(C)cccc2O)CO1,0,GDB ChEMBL
139821,CC12CC(=O)C(COC(=O)N1)C2CO,0,GDB ChEMBL
109566,Cc1cc2cc(c1I)CCOCCCN2,1,GDB ChEMBL
358497,CCC[NH2+]CCC(CO)CC(C#N)C(O)CC,0,GDB ChEMBL
85011,C[NH2+]C1C(CO)C12C=C(C)CC2C,0,GDB ChEMBL
136444,CC[NH+]1CCC(C(C)(C)C)C(OC)C1,0,GDB ChEMBL
263525,CC12CC(C(=O)NC(=N)N)NC1C(=O)CN2,0,GDB ChEMBL
284263,CNC1C(=O)OCC1(N)C(N)C[NH+]=C(N)N,0,GDB ChEMBL
234221,CCC(C)[NH+]1CC2C(O)C3CC3C2C1,0,GDB ChEMBL
100689,C1=C2CC[NH+](CCCC1)CCC21CC1,0,GDB ChEMBL
121488,N#CC1[N-]C(=O)NC2COC1C2O,0,GDB ChEMBL
215864,[NH3+]C1C2C[NH2+]CC1C(C(=O)[O-])N2,0,GDB ChEMBL
172720,C[NH2+]C1C(C(C)O)N(C=O)CC1S(N)(=O)=O,0,GDB ChEMBL
311619,CC#CC(C)(CC)NC(CC=O)C(=O)OC,0,GDB ChEMBL
218824,CN1C(=O)OC2C(C([NH3+])CN)C21C,0,GDB ChEMBL
50113,CCc1cc(C)cc(C#CC2CN2)c1C=O,1,GDB ChEMBL
134427,CC(=N)N(CC(C)[NH3+])C(=O)c1ccn[nH]1,0,GDB ChEMBL
38165,C#CC12CCC[NH+](CC1)C(C)CCCCC2C,0,GDB ChEMBL
331502,Fc1cnc2c(c1)COCCO2,1,GDB ChEMBL
84246,CCOC1CCC(C)C2C=CCC2C1,0,GDB ChEMBL
165212,CC(C)CCN1CC(C#N)C2(N)CCCN=C12,0,GDB ChEMBL
160058,CCC(CNS(=O)(=O)CN)C[NH2+]C,0,GDB ChEMBL
184644,COc1csc(NCCC#N)nc1=N,0,GDB ChEMBL
33112,NC(=O)CN(C=O)C1CCC([NH3+])C1NC(N)=O,0,GDB ChEMBL
258698,CCC12CCCCCCCC1C(C(C)C)CC2,0,GDB ChEMBL
181619,CNC(C#N)C(N)C(CNS(C)(=O)=O)[NH2+]C,0,GDB ChEMBL
84458,NC(=[NH2+])N1CC2[NH2+]CC1C2O,0,GDB ChEMBL
41096,CC[NH2+]CC1=NCC([NH3+])CO1,0,GDB ChEMBL
221892,CS(=O)(=O)NCc1ncnnn1,0,GDB ChEMBL
285550,CC([NH3+])CC12C(C[NH3+])C1(C)OC(=O)N2C,0,GDB ChEMBL
161389,CC1(C)CC(O)C2C(C(O)CO)N21,0,GDB ChEMBL
152553,CC1CCC2(CCC1(O)CC(N)=O)C[NH2+]C2,0,GDB ChEMBL
188093,CC(C)n1cnc2ccsc21,1,GDB ChEMBL
122875,COC(=O)CC(O)C(C)(C)NC=O,1,GDB ChEMBL
274075,NC(=O)C(O)C1CC1[NH+]=C(N)N,0,GDB ChEMBL
21689,CN(C)C(=O)OCC1NC1C(N)C#N,1,GDB ChEMBL
301380,Cc1cc(CCC#N)cnc1-c1ccc[nH]1,1,GDB ChEMBL
263264,CCC1(O)CC(C(=O)C2=CCC[NH+](C)C2)C1,0,GDB ChEMBL
47730,COCC(=[NH2+])NCC(=O)NC1(C)C(C)C1O,0,GDB ChEMBL
354595,C#CCCC1(C)CCCC(C)C1C1CCCC1,0,GDB ChEMBL
263527,CC1=CC#Cc2c(Cl)cc(Cl)cc2CC=C1,1,GDB ChEMBL
182279,C#Cc1cc(C(C)C)cc(C)c1C#C,1,GDB ChEMBL
24499,CC(C)(C#N)C(=O)CC1COC(=O)C1C(=O)[O-],0,GDB ChEMBL
386648,C#CC1OCC1OC(=O)NC(=O)C[NH2+]C,0,GDB ChEMBL
73825,C#CC(CCC)COC1C=CCC1,1,GDB ChEMBL
280489,C#CCN1C2COCCC1C(C)(O)CC2[NH2+]C,0,GDB ChEMBL
363178,CC(CO)NC(=[NH2+])CCOCC1([NH3+])CC1,0,GDB ChEMBL
304404,CCCc1c(Br)cc(C=O)c(C(F)(F)F)c1O,1,GDB ChEMBL
124810,CCn1ccc(C)c1C(C(C)C)C([NH3+])COC,0,GDB ChEMBL
222071,CC(C)CC12CCCC(C)C1CCC2C,0,GDB ChEMBL
244678,C[NH2+]C1C=CC2C(=O)CC1OC2=O,0,GDB ChEMBL
138379,N=C1CCNC(=O)OCC([NH3+])CO1,0,GDB ChEMBL
85862,Nc1nc(C2C=CNC2=O)cs1,1,GDB ChEMBL
321948,CC(N)(CCO)C1(C(N)=O)C[NH+]=C(N)N1,0,GDB ChEMBL
324049,C[NH2+]Cc1c(C)noc1CO,0,GDB ChEMBL
196485,CCCNC(=[NH2+])NC(=O)NC,0,GDB ChEMBL
22479,COCC(NC(=O)C[NH3+])S(=O)(=O)NC1CC1,0,GDB ChEMBL
338617,CC1CCC(C2C(C)CCC2(C)C)C(C)C1,0,GDB ChEMBL
288101,CCC1C(C)CC2([NH3+])CC1OC2=O,0,GDB ChEMBL
182911,Cc1cc(C)c2c(c1)CC(C1CC1)C2(C)C,1,GDB ChEMBL
37586,CC1(C)C2NC(NCC(N)=O)=[NH+]C21CO,0,GDB ChEMBL
107648,CCC1(CC)CCCCCC1CCCC(C)C,1,GDB ChEMBL
349611,[NH3+]C1C(=O)N2C(CCS(=O)(=O)[O-])C2C1O,0,GDB ChEMBL
136659,CC1OC(S(N)(=O)=O)C(=O)NCC1O,0,GDB ChEMBL
62007,CC(CC=O)C1CCCC1,1,GDB ChEMBL
235222,CC1CC2CCCCC1C(C(C)(C)C)C2,0,GDB ChEMBL
89646,COCC1CC2CC(O)C(O)(C1)CC2C,0,GDB ChEMBL
361143,CC#CC1CC(C(C)CCCC)C1(C)C,1,GDB ChEMBL
363018,CC(C)C1CC2(CC[NH2+]1)C(O)C1CC2([NH3+])CO1,0,GDB ChEMBL
114393,CCc1c(CC[NH3+])cc2c(c1Br)CCC2,0,GDB ChEMBL
215260,OCC[NH2+]CCc1ccc2n1C1(CC1)CO2,0,GDB ChEMBL
84989,CCC[NH2+]C1CC2(O)CC2C1=O,0,GDB ChEMBL
177249,CC1C(c2cccc(Br)c2)=CC2OC21,1,GDB ChEMBL
144557,C[NH2+]C(C)C(C[NH3+])C(=O)OCC(N)=[NH2+],0,GDB ChEMBL
383072,C1CC2C3CC[NH+]2CC(CO3)O1,0,GDB ChEMBL
240791,C[NH2+]CCC1([NH3+])CC(CO)C2[NH2+]CCNC2C1,0,GDB ChEMBL
398153,CCOC(CS(=O)(=O)[O-])C(N)C[NH3+],0,GDB ChEMBL
262271,C#CCOC1C(C)=C(C)CC1CO,1,GDB ChEMBL
13777,COc1ncc(S(=O)(=O)[O-])c(O)c1N,0,GDB ChEMBL
12796,COC(=O)NC1(C(N)=O)CS(=O)(=O)C1,1,GDB ChEMBL
153326,CC(C)C(C)(C)C(CCC(=O)[O-])CC(C)(C)C,1,GDB ChEMBL
169409,C#CCN(C)C(=[NH2+])NC(N)=[NH2+],0,GDB ChEMBL
345464,N#CC1NC12CC(=O)[N-]S(=O)(=O)C2,0,GDB ChEMBL
134440,NC(CO)C(=O)N(C=O)C1CC1O,1,GDB ChEMBL
115867,CCC1[NH+]2C3CCC(C2C)C1(C)C3,0,GDB ChEMBL
45963,COC12CNC(CCO)(CC1C)C([NH3+])C2,0,GDB ChEMBL
148959,C[NH2+]CC(CO)(C(C)C)C(C)(C)C,0,GDB ChEMBL
386537,CC1(C)C=CC(Cn2cccc2)C1=O,1,GDB ChEMBL
263961,C[NH2+]C(C)CCCC1([NH2+]C)CC=CC1,0,GDB ChEMBL
301433,CN=C(Oc1nc(F)ccc1C)C(C)=O,1,GDB ChEMBL
114421,NS(=O)(=O)CC1=NC(CC[NH3+])CO1,1,GDB ChEMBL
57281,C=CC1NC(=O)NC(C)=C1C(C)C,0,GDB ChEMBL
280322,CC(=O)C12CC(C1)[NH+](C)C(C)C2C(C)O,0,GDB ChEMBL
313719,CCNC(=O)n1cc(C)ncocc(C)c1=O,0,GDB ChEMBL
283961,COCC1(C([NH3+])C(=O)[O-])CNC(=O)C(O)C1N,0,GDB ChEMBL
109485,CCC1CC[NH2+]C2(C(C)[NH2+]C)CCC(C)C2C1,0,GDB ChEMBL
56630,CCC1COC2C3CCc4cnccc4C132,0,GDB ChEMBL
170129,CC1C=CC2C(c3cccc(I)c3)C12,0,GDB ChEMBL
148190,CNC(=O)C1CC(C[NH3+])S(=O)(=O)NC=N1,0,GDB ChEMBL
53817,CC1=C(C(C)(O)CC[NH+](C)C)CCCC1,0,GDB ChEMBL
258697,CC(C(=O)[O-])C12CC[NH2+]C(C1)C(=NO)C(=O)N2,0,GDB ChEMBL
189898,CCOCC(C#N)C(C)C[NH2+]C(C)CNC=O,0,GDB ChEMBL
84923,Fc1ccc2nc3n(c2c1)C1CC1CN3,1,GDB ChEMBL
362357,CC(O)C(O)C(=O)C1=CC(=O)NCC1,1,GDB ChEMBL
221383,CC1CC[NH2+]C(Cc2ncns2)CN1C,0,GDB ChEMBL
59586,CC(C#N)C(=O)[N-]S(=O)(=O)CC(N)=O,0,GDB ChEMBL
23600,CC1([NH2+]CC=O)CC(CO)C(NC=O)C1,0,GDB ChEMBL
277876,CNC(=O)C1C(=O)C2OC2CC(C#N)C1C,0,GDB ChEMBL
368179,CC(C)(C)C1(CCC[NH3+])OCC1(O)CO,0,GDB ChEMBL
188079,COC(C)CN(C)C(=O)C(C)OC=O,1,GDB ChEMBL
102339,CC[NH2+]C1CC(O)(CC(C)O)C2COC12,0,GDB ChEMBL
163911,Cc1cc(CC2(C(C)C)CCC2)n(C)c1,1,GDB ChEMBL
176414,CC1CC[NH+]2CCC(C)(C)C2C1,0,GDB ChEMBL
159841,CC=CCC=CC=CC1CCCC1,1,GDB ChEMBL
297253,CC(O)CN1CC(CNC=O)=CC1=O,1,GDB ChEMBL
140339,CCCC12CC(=O)C=C(C)C1C2,0,GDB ChEMBL
398221,CC1C(=O)N2C3CNCC([NH3+])CC1C32,0,GDB ChEMBL
166461,C=CC1CC(CC(C)C)CC(C)[NH2+]1,0,GDB ChEMBL
256004,CN1C(=O)C(C)(O)COCCCc2nc1no2,1,GDB ChEMBL
66653,CC1CC(C#N)C(C)[NH+]1C,0,GDB ChEMBL
156768,CCCC1[NH+]2CC3CCC(C3)C1(C)CC2CC,0,GDB ChEMBL
214425,CC(C)C1CC(OC2CCOC2)C2CCC12,0,GDB ChEMBL
192568,CNc1nc(O)ncc1C1C[NH2+]CC1C=O,0,GDB ChEMBL
393982,COC1C(C(N)=O)CC2(CO)[NH2+]CC12,0,GDB ChEMBL
174198,CC(O)C([NH3+])C1NC(=O)CC(O)C1O,0,GDB ChEMBL
338117,[NH2+]=C1NCC(O)C(C=O)C1CCC(=O)[O-],0,GDB ChEMBL
359163,CNC(=O)CCC(C(=O)[O-])C1CS(=O)(=O)N1,0,GDB ChEMBL
115202,CC1C(O)C2OC1C(C)C2C(N)=O,0,GDB ChEMBL
389643,COCC1[NH2+]C(c2cnc[nH]2)CC1NC(N)=[NH2+],0,GDB ChEMBL
97781,C#CCN(CC(O)(C#N)CC)C1CC1,1,GDB ChEMBL
382566,CC1[NH2+]CCCC(O)C1(C)C,0,GDB ChEMBL
5902,C#CC(N)C(O)(C(=O)NC1CC1)C(C)(C)[NH3+],0,GDB ChEMBL
79483,CC1C(=O)[N-]S(=O)(=O)C2CCC(C(N)=O)N12,0,GDB ChEMBL
62572,CNC1C[NH+]=CNC1C(NC(=[NH2+])OC)C(=O)[O-],0,GDB ChEMBL
362856,CCCC(CC(C)C)C1=C(C)C(C)C(=O)N1,0,GDB ChEMBL
148767,C[NH+](C)C1COCCNC2=[NH+]C(CC#N)CC21,0,GDB ChEMBL
295924,CCC1CCC2OC(=O)CC1C2O,0,GDB ChEMBL
337084,C#Cc1c(C)cc2ccc(C)c(Cl)c2c1CC,1,GDB ChEMBL
377303,CC([NH3+])C(C#N)CS(=O)(=O)NC(=N)N,0,GDB ChEMBL
268177,CC1(CC#N)C(=O)OC(Cc2ncc[nH]2)C1[NH3+],0,GDB ChEMBL
350657,CCC(C)(CCC[NH3+])C1CC1C,0,GDB ChEMBL
354091,CC(CC(F)(F)F)C1(C#N)C=CCCC=C1,0,GDB ChEMBL
259687,C#CC(C#C)C1CC=CC([NH+](C)C)CC1=O,0,GDB ChEMBL
312849,C#CCC1CC2CCC(C(C)[NH2+]C)CC(C1)[NH2+]2,0,GDB ChEMBL
58940,CC1C(=[NH2+])NCC2CC(CO2)N1CCC#N,0,GDB ChEMBL
103499,Nc1ccocnccn1,0,GDB ChEMBL
190450,C#CC([NH3+])(C(=O)[O-])C(C)OCC,1,GDB ChEMBL
356545,COCC(C)CC(C)([NH3+])CCC1C(N)C1[NH3+],0,GDB ChEMBL
204333,C#CC(=O)c1cccc(C)c1C,1,GDB ChEMBL
128323,COC(=O)C(C[NH3+])CCO,1,GDB ChEMBL
370384,CCC(C)C([NH3+])CC(C)(C)C(C)C,0,GDB ChEMBL
142370,CC#CC1CC([NH2+]C)CO1,0,GDB ChEMBL
321987,CCNc1cc(C)c(C[NH+]2CCC2C)s1,0,GDB ChEMBL
48741,CCC1OC(=O)C2(C)CCC([NH3+])C3CC[NH2+]C132,0,GDB ChEMBL
228285,CC(C)C1(C)CC2(C)OC2C[NH2+]1,0,GDB ChEMBL
284820,C#CC1(CCCC)COC2=NCCCN2C1,0,GDB ChEMBL
117358,CC#CCCOC(=O)C(CO)OC(C)=O,1,GDB ChEMBL
338954,CCCCOC(=O)C1OCCC1[NH3+],1,GDB ChEMBL
387046,CC1=CC(CCC[NH+](C)C)C2C1CC2(C)C,0,GDB ChEMBL
109579,COC1C=C(C)C(O)C(NC(N)=O)C([NH3+])C1,0,GDB ChEMBL
305305,CC(=O)N1CC2OCC1(C)C(C(C)(C)O)O2,0,GDB ChEMBL
390481,CCCc1nc(C[NH3+])nc(C)c1F,0,GDB ChEMBL
44108,CC1C(O)C2[NH+](C)C1C(CO)OC2(C)C,0,GDB ChEMBL
362050,CCC(O)C1C=CC(O)C1C(C)C[NH3+],0,GDB ChEMBL
388435,CNC(=O)CCC(=O)Oc1cnoc(=O)n1,0,GDB ChEMBL
393517,C[NH2+]C(C)C1CNC(=O)CC(O)C(O)C(=[NH2+])N1,0,GDB ChEMBL
245505,CC12CC(CO1)C(NS(C)(=O)=O)=CC2=O,0,GDB ChEMBL
161971,CCOC(=N)c1cnc(CC(C)C(O)CO)[nH]1,0,GDB ChEMBL
258025,CCC1c2cccnc2C#CC=CC2CC21,0,GDB ChEMBL
144518,CC12C([NH3+])CC3C(C(=O)NC31)C2O,0,GDB ChEMBL
390115,CC(O)C1CN1C1CCOCC1[NH3+],0,GDB ChEMBL
107687,CCC([NH3+])CCC1OC2(C)C=C(C)C1C2,0,GDB ChEMBL
397074,CC[NH+]1CC(C)(C)COCC(O)(CO)C1,0,GDB ChEMBL
201012,CCC12CC1C(C#N)N(C)C2C1CC[NH2+]C1,0,GDB ChEMBL
390544,CC1OC(C[NH3+])C(=CCO)CC1[NH3+],0,GDB ChEMBL
189810,CCOC1C[NH2+]CC1C[NH3+],0,GDB ChEMBL
113508,C=CC(OCC)C(CC)CS(C)(=O)=O,1,GDB ChEMBL
217357,CN1CC2C[NH+](C)C3(C)C1C23CCCC[NH3+],0,GDB ChEMBL
58487,CS(=O)(=O)NC(=N)NCCCS(=O)(=O)[O-],0,GDB ChEMBL
302312,C#Cc1nc(O)cc(Cl)c1C(C)=N[O-],0,GDB ChEMBL
308118,C[NH2+]C1CCC(C)(C2CCC2)C1,0,GDB ChEMBL
57313,COC(=N)C(CCO)CCO,1,GDB ChEMBL
353953,CC(O)C[NH2+]CC12CCCC(CCO1)C2,0,GDB ChEMBL
255110,CCOC(=O)CNCc1ccoc(=O)c1Br,1,GDB ChEMBL
221942,CCOC(C)C1(C=O)CC1[NH2+]C,0,GDB ChEMBL
225184,Nc1[nH]c(=O)c(F)nc1C(=O)NCCO,1,GDB ChEMBL
104950,Nc1c(C(=O)[O-])ccoc1=O,0,GDB ChEMBL
227795,COC(=O)C1C2C(C#N)C(O)C(OC)CN12,0,GDB ChEMBL
289412,CC1(C([NH3+])CC(N)C[NH3+])COC(=O)CC(=O)N1,0,GDB ChEMBL
5229,CC(C)C(C)C1C(O)CCC1C1CC1,0,GDB ChEMBL
99614,C[NH2+]Cc1ccccc1N,1,GDB ChEMBL
8696,COC(C)C1CCCC(C#N)C(C)[NH+]1C(C)C,0,GDB ChEMBL
337141,[NH3+]C1C(O)C2C(C(=O)[O-])OC(=O)NCC1C2[NH3+],0,GDB ChEMBL
60636,CC=C(C=C(C)C)C1CCCCO1,0,GDB ChEMBL
308283,CC=C1CCC(CCC)C1(C)CC,1,GDB ChEMBL
344275,COCC1COC(C)C(=O)N2CC12,0,GDB ChEMBL
193334,CCC1(C23C=CC(O)CC2[NH+](C)CC3)CC1,0,GDB ChEMBL
142353,CC(C)CC1C2CC(C)[NH+](C2)C1C=O,0,GDB ChEMBL
234899,Cc1c(CC2CC2)c(C)n(C)c1C(F)(F)F,1,GDB ChEMBL
340557,O=C(Nc1n[nH]c2ccc(F)nc12)C(O)CO,1,GDB ChEMBL
151720,CCC(=CC(C)(C)CC[NH3+])C(C)C,0,GDB ChEMBL
201109,CCC1CC=C(C)CC12CCCC2,1,GDB ChEMBL
330512,CC(C)(O)C(NC(N)=[NH2+])C(=O)C(=O)NC(N)=O,0,GDB ChEMBL
244450,CC1CCC2=Cc3cc(F)c(F)cc3C2C1,1,GDB ChEMBL
263262,CCC[NH2+]C1CC2C3(C=CC(O)C23C[NH3+])C1,0,GDB ChEMBL
112037,CC1CC(=O)C2C(=O)NC3C(O)C123,0,GDB ChEMBL
333076,CCC1OC2C3CCCC2C1[NH2+]C3,0,GDB ChEMBL
132557,CC1CNC(=[NH2+])NCC=CC(=O)O1,0,GDB ChEMBL
203291,CCCC1(C)CC2C=C(C)C1C2C(C)CC,0,GDB ChEMBL
375161,C#CC(CC(C)(C)C)C(C)C,1,GDB ChEMBL
233482,c1ccc(N2C3CC2C3)nc1,1,GDB ChEMBL
280458,NC(=O)NCC1C(C[NH3+])C1CS(N)(=O)=O,0,GDB ChEMBL
307895,COCC1[NH2+]C(CO)CC1C,1,GDB ChEMBL
375113,N#CC1(C(=O)C(=O)[O-])CC1,0,GDB ChEMBL
383344,Nc1nc(=O)[nH]c(=O)c2ccnn12,0,GDB ChEMBL
88136,CC(C)(CNC(=O)CO)c1csnc1N,1,GDB ChEMBL
215843,CC1C2C(=O)CNC(C2O)C1C(N)=O,0,GDB ChEMBL
34872,CS(=O)(=O)[N-]c1nnc(C#N)c2c1NCC2,0,GDB ChEMBL
85813,COC1CC=CC(OC(C)(C)C[NH3+])C1,0,GDB ChEMBL
289256,C#CC(C)CC(CCCC)C(C)CC,1,GDB ChEMBL
129607,O=C1NCC(=NO)CC1CO,1,GDB ChEMBL
135791,CCCC1C=CC([NH2+]C)C1,0,GDB ChEMBL
235973,NC(=O)CNC=NC(C[NH3+])C(=O)[O-],0,GDB ChEMBL
261344,CC1C=CCOC2C(O)CC1C2(C)C,0,GDB ChEMBL
245484,C#CCC(C#N)CC1C(=O)OC(C)(C)C1C#C,0,GDB ChEMBL
307486,C=CCOC=Nc1cnn(CC)c1,1,GDB ChEMBL
259622,CC1(C(N)=O)CNC=CC1=O,0,GDB ChEMBL
84857,CCC1=C(C)NC(C2CC2)C=CC1=O,0,GDB ChEMBL
379403,CCCC1=C(C)CCC[NH+](C)CC(C)C1,0,GDB ChEMBL
108702,CC1=CC(C2CC(=O)C[NH2+]2)CC1,0,GDB ChEMBL
53850,NC1CC[NH2+]C1(CO)CCS(=O)(=O)[O-],0,GDB ChEMBL
194432,CCC1CCCC(C)C(CC)C2CC12,0,GDB ChEMBL
130450,CCC1(CO)C[NH+](C)C2CC21,0,GDB ChEMBL
305080,CCC1CC(C(C)C)C(C(C#N)CC)C1,0,GDB ChEMBL
59689,OCC1(O)C2CC[NH2+]CC1C(O)C2,0,GDB ChEMBL
34285,C#CC12CC(C1)C(=O)C2CC(C)[NH+](C)C,0,GDB ChEMBL
149299,[NH3+]C1CNC(=O)OCC1n1cnnn1,0,GDB ChEMBL
236704,CN=C(OC(C)CO)C1(C)CCCOC1,1,GDB ChEMBL
81526,NC(=O)C1[NH2+]C2CC(OC3CC23)C1C(=O)[O-],0,GDB ChEMBL
174858,CC12CCCC=C1CC1CC(C3CC3)CC12,0,GDB ChEMBL
22024,CCOCc1sc2c(c1C[NH2+]C)CC[NH2+]C2,0,GDB ChEMBL
355342,CC(=O)OCc1ncc(C)[nH]1,1,GDB ChEMBL
193312,C#CC([NH3+])C1C=CCC=CCCC1C,0,GDB ChEMBL
280723,N=C(N)c1c(C2CCCO2)nsc1C(F)(F)F,0,GDB ChEMBL
209685,NC(=[NH2+])C1C[NH2+]C(CC(=O)C(=O)[O-])C1O,0,GDB ChEMBL
214861,N#CC1(O)CC([NH2+]C2CCCC2CO)C1,0,GDB ChEMBL
115782,CCC1C[NH+]2CCC1C2C(C)COC,0,GDB ChEMBL
375995,CCC(C=O)OCCCO,1,GDB ChEMBL
75424,[NH3+]C(C(=O)[O-])C1NCCNC1=O,1,GDB ChEMBL
136698,CC#CC1CC(=O)NC(=N)N1,1,GDB ChEMBL
21884,C#CC12CN1CCCCC2CCC,0,GDB ChEMBL
161830,COCC(NC(=N)OC)C(N)=[NH2+],0,GDB ChEMBL
297277,CC([NH3+])(CC[NH3+])C[N-]C(=O)C#N,0,GDB ChEMBL
350316,CNS(=O)(=O)C1NC(=O)C2C[NH2+]C(C2)C1CO,0,GDB ChEMBL
320276,CC1CC2OC(=O)CC1C1([NH3+])CC2NC1C#N,0,GDB ChEMBL
34160,CCC1(O)C2[NH2+]C(C(=O)[O-])C(C)CC21N,0,GDB ChEMBL
244650,Cc1c(F)ccc(F)c1C[NH3+],1,GDB ChEMBL
132184,CC(CC(N)=O)C12C=CC(CC1)C2C#N,0,GDB ChEMBL
300007,CNc1n[nH]c(CC(C[NH3+])C(N)=O)c1[O-],0,GDB ChEMBL
177297,CNc1c(C)cc2c(c1CO)CCC2,1,GDB ChEMBL
350307,CCNC(CN)(C[NH3+])C[NH3+],0,GDB ChEMBL
346852,CC(O)(C[NH3+])CC([NH+]=C(N)N)C(=O)[O-],0,GDB ChEMBL
61736,CC(N)S(=O)(=O)N(CCO)CC(N)CC#N,0,GDB ChEMBL
320779,Cc1ncc(S(=O)(=O)CCO)s1,1,GDB ChEMBL
296038,N#CC(=N)NCC(O)CC(=O)[O-],1,GDB ChEMBL
221330,NC(=O)c1nc2nocc2cc1C[NH3+],0,GDB ChEMBL
74326,CN1C2CC(C([NH3+])C(=O)[O-])C21,0,GDB ChEMBL
382623,C[NH+]1CC2CC2C2(C)C=CCCCC12,0,GDB ChEMBL
110221,CNC(=O)C1COC(C2CN2C(N)=[NH2+])C1[NH3+],0,GDB ChEMBL
383342,NC(=[NH2+])NC(C[NH3+])C1COC2CCC21,0,GDB ChEMBL
218534,CCC1OCC(=O)C1C(=O)N(C(=N)N)C(=N)N,1,GDB ChEMBL
331767,CCC(CC)C1C2(C)CCC1(C)CC(C)C2,0,GDB ChEMBL
376691,C#CC12CCCCC(C)(OCC1O)C(=O)N2C,0,GDB ChEMBL
308128,CNc1ncn2ccc(C)c(I)c12,1,GDB ChEMBL
48044,N=C1C(=O)NCCN1CC[NH+]=C(N)N,0,GDB ChEMBL
150093,N#CC1CC(O)C2[NH2+]CCC2S(=O)(=O)C1,0,GDB ChEMBL
177219,[NH3+]Cc1c(Cl)ccc2c1C1CCN1C2C[NH3+],0,GDB ChEMBL
298919,C[NH2+]CC(NC=[NH+]C(C)(C)C)C(O)C(C)C=O,0,GDB ChEMBL
377288,N=C(NC(N)=O)NC(=O)N1CCC2[NH2+]CCC21,0,GDB ChEMBL
276287,CCC1C=C(N2C(N)=[NH+]CC2C)CC1C#N,0,GDB ChEMBL
33868,CC[NH2+]C1CC(=O)NC1c1nn(C)c(C)c1O,0,GDB ChEMBL
326484,O=C1NC(CS(=O)(=O)CCC2CC2O)CO1,0,GDB ChEMBL
64343,CCOC1CC2[NH2+]CC(C)C(=O)CC(O)C2O1,0,GDB ChEMBL
142397,C#CC1=CC(C#C)C(C)[NH2+]CCCC1,0,GDB ChEMBL
97724,CC#CCC(CC)CCC1(CC)CC1,1,GDB ChEMBL
257532,CC(C)[NH+](C)Cc1cn2ccn(C)c2n1,0,GDB ChEMBL
380313,CC1CC2c3cc(Cl)c(N)cc3C1C2[NH3+],0,GDB ChEMBL
208545,CCC(O)C1C2OCCC2N(C)C1CC#N,0,GDB ChEMBL
47231,CCC1CCNCC(C)(C)[NH+]1C,0,GDB ChEMBL
343973,CC1[NH2+]C(CO)C2C1C2(O)C1CC1,0,GDB ChEMBL
182908,CC(=O)OCC#CCS(N)(=O)=O,1,GDB ChEMBL
149945,COC(C(C(N)=O)=C(C)C)C(C)O,1,GDB ChEMBL
339972,CS(=O)(=O)NC1C(C=O)NC1C(O)CO,0,GDB ChEMBL
362319,CC(C)C1CCNC(CC[NH3+])C(=N)O1,0,GDB ChEMBL
365681,CCCCCCCNC(=[NH2+])C(C)(CC)COC,0,GDB ChEMBL
362989,CCCC(C[NH3+])C1CC(C)C2CCCC(O)C21,0,GDB ChEMBL
165603,COC(C)C1OCC([NH3+])C(O)(CCC#N)C1O,0,GDB ChEMBL
86715,[NH3+]C1(CCC2C=C(CC(=O)[O-])CO2)CC1,0,GDB ChEMBL
76101,NC(=O)C1C(=O)C2(O)CN1CC2O,0,GDB ChEMBL
259506,CC1C(O)C2CC1(C(N)=O)NC(N)=[NH+]2,0,GDB ChEMBL
170142,CCC1(C)C2CNC(=O)C21,1,GDB ChEMBL
61874,COC(=O)C1CS(=O)(=O)CN(C=N)C1=O,0,GDB ChEMBL
76052,COCC1C=C(NC(C)=[NH2+])C(=O)N(C)C1=O,0,GDB ChEMBL
380338,Brc1cccc2c1C=CCC2C1C[NH2+]C1,0,GDB ChEMBL
358631,NC(=O)NC(=O)C(N)(CO)C1CN1,0,GDB ChEMBL
18366,CC1(C#N)CC1C(=[NH2+])NCCO,0,GDB ChEMBL
190310,Cc1ncc(=O)c(C[NH3+])c(N)n1,0,GDB ChEMBL
165245,OC1CC2CC3(CCCC3[NH2+]2)C1,0,GDB ChEMBL
356874,CCCCc1n[nH]nc1C(=O)[O-],0,GDB ChEMBL
26875,CCC1CC(C)C2CC(C)(CCCO2)[NH2+]1,0,GDB ChEMBL
206781,CCC1(CO)CC2CC(C)CC2C(=O)O1,0,GDB ChEMBL
320105,CCCC1CC(CO)C1,1,GDB ChEMBL
99090,NC1C(=O)OC2CC(=O)OC21CO,0,GDB ChEMBL
141864,CCCC(=O)N1CC(Nc2cnnn2C)C1,1,GDB ChEMBL
243930,CCN=C1CCCN=C(N)NC(=O)O1,1,GDB ChEMBL
35992,CCC(C)c1nccc2c1C(C(=O)[O-])[NH+](C)C2,0,GDB ChEMBL
302620,C#CC1(O)CCCC(=[NH2+])NC(=[NH2+])N(CCC)C1,0,GDB ChEMBL
223975,O=C1[N-]C(=O)C2(COCC3C(O)CC(O)C32)O1,0,GDB ChEMBL
297224,CCC1CC2CC(C3C[NH+]2CCC3C)C1OC,0,GDB ChEMBL
99857,CCNc1nc(O)cc(C#N)n1,1,GDB ChEMBL
221389,COc1sc([O-])c2ccc(COC(C)=O)cc12,0,GDB ChEMBL
210146,[NH3+]CCCn1ccc(O)c1CO,0,GDB ChEMBL
399012,CCC1C(C)(C)C2C[NH2+]CC12COC,0,GDB ChEMBL
379704,C#CC(CCC)c1ccn2c(CO)cccc12,0,GDB ChEMBL
255121,C#CCC1(C)CC2CC(C)C(C1)C2CCCC,0,GDB ChEMBL
28348,C=CC1C2C(C)CC3C2CC(C)C13,0,GDB ChEMBL
369849,CC1[NH+](CCO)C(C)(C)C(=O)NC(=N)C1(C)O,0,GDB ChEMBL
398163,[NH3+]CC12CC(C(=O)N1)C(=O)OC2CO,0,GDB ChEMBL
252735,CCc1ccc(Br)c2c1C(C)C(CC(C)C)C2,0,GDB ChEMBL
248668,CC1(C(N)=O)C2OC(=O)CNC21CC(=O)[O-],0,GDB ChEMBL
157067,C[NH+]1CC2(CC2NCC#N)C1,0,GDB ChEMBL
226229,CC(O)CNC1C2C(=O)NC1S(=O)(=O)CC2O,0,GDB ChEMBL
215415,CCC1CCCOC(C)C2C(C)CC3C1C32,0,GDB ChEMBL
262196,NC12CC(OC1=O)C(O)CC(=O)NC2=O,0,GDB ChEMBL
302306,CCOC(=O)C1C2C(N)CNC(=[NH2+])C12N,0,GDB ChEMBL
205738,CC1CC(CC[NH3+])[NH2+]CC12CC2,0,GDB ChEMBL
25145,CCC1CC2(C)OCC3C(C(=O)O1)C32,0,GDB ChEMBL
359127,COC(CS(=O)(=O)[O-])(C(C)=O)C(N)=O,0,GDB ChEMBL
101022,CCCC(C1CC(C)C1)C1CC(C)C1,0,GDB ChEMBL
261167,CCC1=CCc2c(I)cccc2C1CC,1,GDB ChEMBL
215471,CCC1CCc2c1nc(C1CC1)c(Cl)c2C,1,GDB ChEMBL
204622,O=C([O-])C1[NH2+]C2CN3C1CC3C2O,0,GDB ChEMBL
395620,CC(C)C12C=CCC(CCC1)[NH+](C)CC=C2,0,GDB ChEMBL
203793,CC1(C(=O)[O-])OC1C(C#N)OS(N)(=O)=O,1,GDB ChEMBL
51400,O=C1CCC2(C1)CC(O)CO2,1,GDB ChEMBL
121750,CNc1ccc(CC=O)cn1,1,GDB ChEMBL
306343,CN1CC2N(C(=O)C(=O)[O-])C2(C)C1C#N,0,GDB ChEMBL
261372,Cc1cc(C)c2ccc(F)c(F)c2c1F,1,GDB ChEMBL
640,CC1CCC2(C[NH3+])COCC2CC1[NH3+],0,GDB ChEMBL
103538,C[NH2+]CC(N)C1=CC(O)CC(C)(O)C1C,0,GDB ChEMBL
102180,CCC(C)(C)Nc1cc(F)c(C)c(C)c1F,1,GDB ChEMBL
216206,C#CCCC1C=CC2C(C)CC(CC)C[NH+]12,0,GDB ChEMBL
173953,CCOC(CO)(Cc1cocn1)C(=O)[O-],0,GDB ChEMBL
312571,CC1CC[NH2+]CC2OC(C(C)O)CC2C(=O)O1,0,GDB ChEMBL
262301,CC([NH3+])C(C(N)=[NH2+])C1CC(C#N)C(C(N)=O)O1,0,GDB ChEMBL
164684,C#CC1[NH2+]C(CCC(C[NH3+])C(=O)OC)CC1C,0,GDB ChEMBL
43941,CC1CC(C)(CCCC#N)CC1O,0,GDB ChEMBL
369273,C#CC(C)[NH2+]C(CCCC(C)(C)C)C(C)CC,0,GDB ChEMBL
113497,CCCc1cccc(C=O)c1I,1,GDB ChEMBL
334587,CNS(=O)(=O)CC(C=O)C=O,1,GDB ChEMBL
22617,C#CCCC1CCC2C[NH2+]C(CC)C(=O)C12,0,GDB ChEMBL
379268,CC1C(C(C[NH3+])CCCO)C(O)CC1(C)C#N,0,GDB ChEMBL
123016,CC(C)C1CCC[NH+](C)C2C(C)C2C(C)C1,0,GDB ChEMBL
352804,CCCC1CC2CC=CC1C2(C)CC,0,GDB ChEMBL
55542,CC(=O)CCC(C)C1CC2[NH2+]CC2(C)O1,0,GDB ChEMBL
366921,CC1CC2[NH2+]C1C1(C)CCC=CCC21,0,GDB ChEMBL
104641,C[NH+]1CC2(C)CC23NC(=O)CC(C[NH3+])C13,0,GDB ChEMBL
94860,CCC12CCC(CC1)OC2C[NH+](C)C,0,GDB ChEMBL
363805,CC(C)CC[NH2+]C(C)C1(C#N)CO1,0,GDB ChEMBL
161977,C#CC1CN1C(=O)C(=O)[O-],0,GDB ChEMBL
305526,Cc1nc(C(F)(F)F)ccc1O,1,GDB ChEMBL
286996,Cc1cc(OC(N)=O)c(=O)cc2scnc12,1,GDB ChEMBL
214438,C#CC(C1Cc2cccc(Br)c2C1)C(F)(F)F,0,GDB ChEMBL
47220,CC(CCC#N)OC(C)C1C[NH2+]C(C(C)C)C1,0,GDB ChEMBL
284789,CC12CC(OC(N)=O)C[NH2+]C1CO2,0,GDB ChEMBL
109723,[NH3+]CC1(CO)CCOCCN1,0,GDB ChEMBL
340453,CCCC1=CCCC(CO)=CC1,0,GDB ChEMBL
379834,Cc1nc(C(N)=O)nccc(=O)[nH]c([O-])n1,0,GDB ChEMBL
375436,CC1=Cc2ccncc2OCC1C1CCC1,0,GDB ChEMBL
65900,C=CC(C)CC(C)(C)C=C(C)CC,0,GDB ChEMBL
34282,[NH3+]C1CCC2CC1NC(=O)[N-]S2(=O)=O,0,GDB ChEMBL
318745,N#CC1CC2NC(N)=NC1C2O,0,GDB ChEMBL
311361,COCC(CC(C)=NO)C(=O)NCC=O,0,GDB ChEMBL
26794,CC(CO)(CS(=O)(=O)[O-])C(N)=O,0,GDB ChEMBL
245806,OCC1(O)CCCC2C=CCC(C1)[NH2+]C2,0,GDB ChEMBL
170467,COC1CC2CC2CC(C)CC1C,1,GDB ChEMBL
182528,C[NH+]1CCC2C1C2C(F)(F)F,0,GDB ChEMBL
34239,CC1CC2[NH2+]CC2CC(C)(CC[NH3+])C1,0,GDB ChEMBL
286124,CCCC1CCC1CCCO,1,GDB ChEMBL
202778,CC1C=C(CO)CCOC1CC[NH2+]C1CC1,0,GDB ChEMBL
112488,C[NH2+]C1COC2CN(C1)C1CC21,0,GDB ChEMBL
147407,CC1C2c3scnc3CCN2CC(=O)N1C,1,GDB ChEMBL
202498,CCCCNC(=O)c1c(C)oc(=O)c(C)c1Cl,1,GDB ChEMBL
312243,C#CC1C2[NH+](C)C(CCC)CC12C,0,GDB ChEMBL
305597,NC(=O)C1C(C=O)C2CC1(O)C(CO)OC2=O,0,GDB ChEMBL
291523,CC1C([NH3+])C(CO)(CC([NH3+])C(=O)[O-])C1O,0,GDB ChEMBL
325222,CC1=CC(C)CC2[NH2+]CCC2(C)C(=O)C1,0,GDB ChEMBL
307929,CCC(C)(CCC1CC1)C1=CCCC1,0,GDB ChEMBL
10607,CC1C=CC2=CCCCC2C(C)C1,0,GDB ChEMBL
3927,CCOCC1C(O)C(C(N)=[NH2+])C1C(=O)[O-],0,GDB ChEMBL
246438,CC12CCCC3CCC1C[NH2+]C32,0,GDB ChEMBL
99442,Cc1cc2c(cc1Cl)OCCC2=O,1,GDB ChEMBL
354092,N=CN(CC(=O)[O-])C(=O)c1cnco1,1,GDB ChEMBL
169437,CC(C(=O)C1C=CC(O)COC1)[NH+](C)C,0,GDB ChEMBL
24300,CC1CCC2(CC2)OC1=O,1,GDB ChEMBL
40040,CNc1nc(N)c2nc(=O)[n-]nc2[nH+]1,0,GDB ChEMBL
177880,CC(C)(C[NH2+]C1CCOCC1)S(=O)(=O)CO,0,GDB ChEMBL
29610,CC(C[NH3+])OCC12NC(=O)CC1(N)C2[NH3+],0,GDB ChEMBL
341131,Cc1ccc(Br)cc1C1[NH2+]CCC1CNC=O,0,GDB ChEMBL
283402,Cc1c(N)nc2c(c1C#N)C1CC2C1,0,GDB ChEMBL
247573,CCC12C=CC(=O)OCC1C2,1,GDB ChEMBL
198827,CNC(=O)C1NC1(C)c1scnc1N,0,GDB ChEMBL
93471,CCC([NH2+]C)C(=O)C(=O)NCS(=O)(=O)[O-],0,GDB ChEMBL
193294,CCCOC1CC1C(C#N)CC,1,GDB ChEMBL
190246,C=CC[NH2+]CCC1(C(N)=[NH2+])CC1C,0,GDB ChEMBL
60651,O=C1C2CC3[NH2+]C(C2)C13CO,0,GDB ChEMBL
371703,NC1C(O)C(O)C(C(=O)[O-])C1([NH3+])CO,0,GDB ChEMBL
283416,CC1[NH2+]C(C(=O)[O-])C(OC(N)=O)C1N,1,GDB ChEMBL
380369,C#CCC(O)C1(CC(=O)NC)C=C(C)CC1,0,GDB ChEMBL
6121,CC1CCC2CC3[NH2+]CC(=O)CCC3C1C2,0,GDB ChEMBL
333902,CCC1=CC=CCCC2CC2C(O)C1,0,GDB ChEMBL
210947,CCCc1nc(C#N)cn1C,1,GDB ChEMBL
375690,CC(=[NH2+])NCCCCC1OC1C(=O)[O-],0,GDB ChEMBL
132268,COC12CC(O)C(O)C1OCC2=O,0,GDB ChEMBL
104461,C#CCC1CC2C[NH+](C)CCC1([NH2+]CC)C2C,0,GDB ChEMBL
200767,CCCC(C)CC1CCCCC(CC)C1(C)C,0,GDB ChEMBL
107800,CC1(O)C(CNC=O)OCC1C(N)=O,0,GDB ChEMBL
341187,CS(=O)(=O)NCCCc1nc(O)no1,1,GDB ChEMBL
298978,CC12CC(C(=O)N1)N1CC(O)C12,0,GDB ChEMBL
274876,[NH3+]CCNc1c(Cl)cc2snnc2c1[O-],0,GDB ChEMBL
298211,CCC1(CC)CCCCC(=O)NC1=O,1,GDB ChEMBL
227299,COC1CC([NH3+])C(C)(C(=O)[O-])CC2OC12,0,GDB ChEMBL
259653,O=C1NC2(COC2)CC1CO,1,GDB ChEMBL
313368,Cc1[nH]c(Cc2ncccn2)c2c1CCCC2,1,GDB ChEMBL
254894,CCCCCC[NH2+]C(C)CCC,0,GDB ChEMBL
133348,CCCC1C2CC(NC=O)C1(C)C(CC)C2=O,0,GDB ChEMBL
388424,CCC1(C)CC2CC2C1,1,GDB ChEMBL
120550,C[NH2+]CC12CC(C1O)C(C)(O)C2[NH+](C)C,0,GDB ChEMBL
323342,CC[NH+](C)CCC(C(C)=O)C1(OC)CCC1,0,GDB ChEMBL
174816,C=CC(C)(COC(C)=O)C(=O)NC,1,GDB ChEMBL
341146,COC1C([NH3+])C1c1c[nH]cn1,0,GDB ChEMBL
24260,COC(C)C(C)C#CC1CCC1,1,GDB ChEMBL
181418,CC(C)C12CC(CC(=O)N1C)C2,0,GDB ChEMBL
304175,CCC(COC)OC(CC(=O)[O-])C(O)C=O,0,GDB ChEMBL
346554,[NH3+]CC1OCCC2C(=O)NC1C2C[NH3+],0,GDB ChEMBL
222803,CCCc1cn2c(n1)OCC(C)C1[NH2+]CCC12,0,GDB ChEMBL
70195,CC1CCS(=O)(=O)N1C(N)=O,0,GDB ChEMBL
64680,CCC(=O)C(C)(O)C(C#N)C1(C)CC(C)C[NH2+]1,0,GDB ChEMBL
90334,CCC1CC2OC(=O)C2C1,1,GDB ChEMBL
157732,CC1CN(CC(C#N)C=O)C(=[NH2+])C(CCO)N1,0,GDB ChEMBL
93100,CCC(OC)C([NH3+])C(C[NH3+])CC(C)C,0,GDB ChEMBL
53280,C#CC(N)(C#N)CCC(C)(O)C[NH3+],0,GDB ChEMBL
386185,CCC1CC2C(=O)OC2C1C,0,GDB ChEMBL
308307,CCC1CN2C3C(=O)NC1C(=O)C32,0,GDB ChEMBL
273637,NC(=O)C1C(O)C2CCC1(O)C2,1,GDB ChEMBL
191579,C[NH+]1CCCC(Cn2nnc(C[NH3+])n2)C1,0,GDB ChEMBL
300671,C#CC(C#C)CCc1ccnc(F)c1CO,0,GDB ChEMBL
233444,CCCCCc1sc(C#N)cc1C(C)[NH3+],0,GDB ChEMBL
124854,CC([NH3+])C1OC(CC[NH3+])COC1C,0,GDB ChEMBL
271379,Cc1nc(C#N)c(C2CCOC(=O)NC=N2)s1,0,GDB ChEMBL
271069,O=C1C2=CCCC2c2cnc(F)cc21,0,GDB ChEMBL
189878,C#CC1(OC)C(C(=O)[O-])CC([NH3+])C1CO,1,GDB ChEMBL
273646,CCC(O)CCC(C)(C)C(C)C,1,GDB ChEMBL
264947,CCCC1C(C)(C(=O)NC)CC(C)([NH3+])C1(C)[NH3+],0,GDB ChEMBL
198807,CC#CC1CC=CC(C#N)C1COC,0,GDB ChEMBL
117406,C#CCCC(CO)(CCC)C(CC#C)C(C)C,0,GDB ChEMBL
177998,CC(C)C#CCc1ccc(Cl)cc1Cl,1,GDB ChEMBL
374211,CCOC1C([NH3+])C(O)C(O)C1O,0,GDB ChEMBL
374165,Cc1c(Cl)cc(=N)oc1CNc1cn(C)cn1,0,GDB ChEMBL
175835,CCC(C=O)C1(O)CN(C)C(C)(COC)C1=O,0,GDB ChEMBL
132543,CC1=NC(COC(N)=O)CC(CCO)C(=O)O1,0,GDB ChEMBL
224010,Cc1ccc2c(c1C)CCC2C(C)CC(C)C,1,GDB ChEMBL
85810,CC#CCC(C)C(COC)CC(C)(C)C,0,GDB ChEMBL
129385,CC1C2C3CCCCC[NH+](C3)C12,0,GDB ChEMBL
323202,C#CCCC1CC(C)CCC(CCC)C1CC,0,GDB ChEMBL
210969,CC(CC1CC1)C1CC=C2CC(CO)CC21,0,GDB ChEMBL
125617,CCC1NC(=O)C2CN(C=O)C12,0,GDB ChEMBL
361796,NC(=O)CC1OCC(=O)N2CC([NH3+])CC12,0,GDB ChEMBL
132324,CC(OC1CCNC1=[NH2+])C([NH3+])C(=O)[O-],0,GDB ChEMBL
130828,Cc1noc(C(=O)c2cnc[nH]c2=O)c1N,1,GDB ChEMBL
194736,C#CC1(C)C=CCC(=O)NCCC(C)=C1,0,GDB ChEMBL
204526,CC#CC#CCCc1ccc(C)cc1,1,GDB ChEMBL
174248,[NH3+]C1CC(=O)OCC(CO)n2ncnc2C1,0,GDB ChEMBL
111903,NS(=O)(=O)CNC1CCOC1=O,0,GDB ChEMBL
271539,NCC(=O)OC(CS(N)(=O)=O)C1C[NH2+]C1,0,GDB ChEMBL
129431,C[NH2+]CC[NH+]=C(N)C1C(O)C1OC,0,GDB ChEMBL
299578,COC1(C)C([NH3+])CCCC1C(C)[NH3+],0,GDB ChEMBL
89681,[NH3+]C1CC2OC1C1NCCOC21,0,GDB ChEMBL
28153,CC1OCCC2N3CCCCC23C1[NH3+],0,GDB ChEMBL
29467,CN(C=[NH2+])C(C#N)CNCC(N)=O,0,GDB ChEMBL
355816,C1CCCC2CC2CCC2CC2CC1,0,GDB ChEMBL
297246,CN(C)CC1[NH2+]CCC2CC3C(=O)NCC3C21,0,GDB ChEMBL
259358,CCC(O)C(CC1CC1)c1cc[nH]c1,1,GDB ChEMBL
127905,CCCC1CC(C(C)(C)C)CC1CC(C)CC,0,GDB ChEMBL
274224,Cc1cc(C(C)(C)C)c(C)c(Br)c1C(F)(F)F,1,GDB ChEMBL
24514,C#CC(C#C)OCc1cc(C)c(F)c(CC)c1,1,GDB ChEMBL
44310,COCCC1(C)C([NH3+])C(S(N)(=O)=O)C1C(=O)[O-],0,GDB ChEMBL
1059,COCC1C=CC2Cn3cnc(N)c3C1N2,0,GDB ChEMBL
211006,CC1CCC2(C)CC=CC([NH2+]2)C1O,0,GDB ChEMBL
398971,CCC1CCC(C)C1CCCC1CC1,1,GDB ChEMBL
47810,COC(C[NH3+])C(CO)OC(=O)CN,1,GDB ChEMBL
208580,NC(=O)NCCCN=C1NCC(=O)N1,1,GDB ChEMBL
87711,C[NH+]=C1NCC(C)(N)CCN1C(N)=[NH2+],0,GDB ChEMBL
81492,CC(=O)NCC(O)C(C)[NH3+],0,GDB ChEMBL
392756,Cn1cc(OCCCCC2(C)CC2)cn1,1,GDB ChEMBL
331504,C=CCCC(C)C1CC1C(C)CO,0,GDB ChEMBL
215375,CN(C)C1C([NH3+])CC([NH3+])C1CC[NH2+]CCC#N,0,GDB ChEMBL
336596,CCCCC(C[NH3+])C1CC2(CC)CC2C1C,0,GDB ChEMBL
186748,C#CC(C)NC(=[NH2+])CC(C#CC)CCC,0,GDB ChEMBL
348720,CCC1C[NH+]2C3COC(C)CC3CC12,0,GDB ChEMBL
296085,CC(C)C1[NH+](C)CC2OC21CO,0,GDB ChEMBL
177103,CCc1cc(C)c(CC)c(Cl)c1N(C)C=[NH2+],0,GDB ChEMBL
76408,C=C(C)C(CNC(N)=[NH2+])C(F)(F)F,0,GDB ChEMBL
256024,O=C([O-])C1CN=CNC1=O,0,GDB ChEMBL
212549,C#CC(CC1CC(O)C[NH2+]1)C(C)CC(C)C,0,GDB ChEMBL
109565,CC1[NH2+]C1Cc1cccc2c1NCC2,0,GDB ChEMBL
101545,CNC(=O)C1(O)C2NC(=O)CC([NH3+])C21,0,GDB ChEMBL
132467,CCN(C)C1(C#N)CS(=O)(=O)N2C(CO)C21,0,GDB ChEMBL
355344,CCC1CC2CC(C1)C1CCCC21,1,GDB ChEMBL
213983,CC12C=CC(O)CCCC1C2,1,GDB ChEMBL
311047,C[NH2+]C1C(O)COC1C(=O)NC(=O)C(N)C[NH3+],0,GDB ChEMBL
282258,CCc1c[nH]c(=O)c(NC)c1Cl,1,GDB ChEMBL
308174,O=C1CNC2CC2C1,1,GDB ChEMBL
368532,CC(C[NH3+])(CNC=O)C(OC(N)=O)C(=O)[O-],0,GDB ChEMBL
335461,C#CCC(C)C(C)C(CCC)C(C)CC,0,GDB ChEMBL
321959,[NH3+]CCNC1CC(O)C1,1,GDB ChEMBL
318366,CNC1=NCC(C#N)(OC)CN1CCCO,0,GDB ChEMBL
372656,CC(CCO)C1C(O)CNC1C#N,0,GDB ChEMBL
124171,CC1=CCC2CCCC12CC(C)(C)C,0,GDB ChEMBL
340154,C#CCCC(C)Nc1c(NC)ncc(Br)c1C,1,GDB ChEMBL
258305,CC1[NH+]=C(N)NC(=O)NC1COC(N)=O,0,GDB ChEMBL
148368,NC(=[NH2+])n1cc(CC(=O)[O-])cn1,0,GDB ChEMBL
345817,C[NH+]1C(CCO)C=CC1(C)C,0,GDB ChEMBL
271063,CC1(C)C(O)C2CC1C(C#N)O2,0,GDB ChEMBL
193311,C[NH2+]C1CCCCOC2(OC)CNC(=O)C1C2,0,GDB ChEMBL
361653,O=C1OCCC2C3=CC4CC[NH+](C4)C3CC12,0,GDB ChEMBL
53844,[NH3+]C(CO)C(=O)Nc1csnn1,1,GDB ChEMBL
299556,COc1c(N)cnc2c1C1CC(C=O)(C[NH2+]1)O2,0,GDB ChEMBL
29765,O=C1CC2C(O)C=CC2O1,1,GDB ChEMBL
179279,Nc1cc(F)cc2c1CC(=O)NC2,1,GDB ChEMBL
273633,CC(=O)OC1C2C3CC(C12O)S(=O)(=O)N3,0,GDB ChEMBL
257537,NC1=NC(CS(=O)(=O)[O-])C([NH3+])CCO1,0,GDB ChEMBL
77741,C1=CC2(Cc3ccccc3)CC1C[NH2+]2,0,GDB ChEMBL
304435,CC1C=CC2C(C)CCC(C1)C21CC1,0,GDB ChEMBL
358854,CCC12C[NH2+]C(C1)C(C(O)C#N)C(=O)N2,0,GDB ChEMBL
344004,CCCc1c(C)ncc[nH]cc(N)c1C,0,GDB ChEMBL
308271,CC[NH+]1C2COC(=O)C23CCC(CO)CC13,0,GDB ChEMBL
132688,NC1COC(=O)C(O)(CC(=O)[O-])CC1[NH3+],0,GDB ChEMBL
307529,CCC([NH3+])C1(CO)CO1,0,GDB ChEMBL
210174,CCC1C2COC(=O)C1(COC)[N-]S2(=O)=O,0,GDB ChEMBL
180834,CCC1CCCC(C2COC2)O1,1,GDB ChEMBL
232088,C#CC(C)OC(=O)CC(C)=O,1,GDB ChEMBL
375684,O=C([O-])c1c(Cl)cc(O)c2cncc(=O)n12,0,GDB ChEMBL
58483,CC(O)CC1(C)CCC(CCC2CCCC2)[NH2+]1,0,GDB ChEMBL
251910,CC1CCC[NH+]1C1(C)CCC1(C)C,0,GDB ChEMBL
261353,Cc1cc2ccc(I)c(N)c2cc1C,1,GDB ChEMBL
150108,COC1C(CO)OCC(O)C2OCCC(O)C21,0,GDB ChEMBL
379846,C#CCC(C)(C[NH2+]C)C(=O)N(CC)CC(C)[NH3+],0,GDB ChEMBL
348622,CC[NH+](C)C(CN)C1(C(N)=O)C(C)CCC1C,0,GDB ChEMBL
346512,CC1C2CC=CCCCC(C2)C(C)C2CC12,0,GDB ChEMBL
284827,CN(C(N)=O)C1(CO)CC[NH2+]C1CC#N,0,GDB ChEMBL
352868,CC(=O)NC1(C(=O)[O-])CCC(N)C1(O)C#N,0,GDB ChEMBL
203444,C=CCC1(C)C2CC=CC1C(C)C2,0,GDB ChEMBL
122846,CN1C(CS(=O)(=O)[O-])C1C(O)C(=O)[O-],0,GDB ChEMBL
308099,CC1C(C(=[NH2+])N2CCCC2CO)N1C,0,GDB ChEMBL
116635,C=CCN1C=NC(C)(COC)C1=O,0,GDB ChEMBL
169486,C[NH2+]CC1CC(C2C=CCCN2C(N)=[NH2+])C1,0,GDB ChEMBL
323156,C#Cc1ccc(N)c2c1CC(C#C)CC(C)O2,0,GDB ChEMBL
53701,NC(=O)N1C(=O)C2OCC1CC1[NH+]=C(N)NC12,0,GDB ChEMBL
176529,NC(=O)C(N)C1(C([NH3+])CO)CNC(=O)O1,0,GDB ChEMBL
283246,CC(C)CCCC(C)(C)C1CC=CC1CO,0,GDB ChEMBL
29692,CC1NC(=O)OC1CN(C=N)C(=O)OCCO,0,GDB ChEMBL
314896,CCN1CC2(C)CCC2C1=O,1,GDB ChEMBL
387335,CC1(C)C2COC(=O)C1C(=O)CO2,1,GDB ChEMBL
35012,CS(=O)(=O)NC1C[NH2+]CC2OC12,0,GDB ChEMBL
23932,CCn1c(CO)cc2c(C)c(O)c(F)cc21,1,GDB ChEMBL
5336,O=C1COC(CO)C(O)CC1=O,0,GDB ChEMBL
376636,CC(CCC(F)(F)F)C12CCCC(CC1)CC2,1,GDB ChEMBL
389407,C[NH2+]C1C2NCC(C)C(OCCO)C21,0,GDB ChEMBL
393543,Cc1n[nH]cc1CCCCOC=N,1,GDB ChEMBL
170232,C#CCc1c(CC)cncc1OC,1,GDB ChEMBL
225345,COCC1CC1NC(=[NH2+])C(=O)[O-],1,GDB ChEMBL
258702,CCCCCc1sccc(=O)c1C[NH3+],0,GDB ChEMBL
160983,COCC(O)C1=C(C)C=CCC1=O,0,GDB ChEMBL
265267,C#CC([NH3+])C(C)(c1cc(C)ccc1O)C(C)C,0,GDB ChEMBL
363771,C#CC(C(C)CO)C(NC=[NH2+])C(=O)[O-],0,GDB ChEMBL
121496,CC#Cc1cc(F)c(C(C)C)cc1CCC,1,GDB ChEMBL
60667,CC#CC(O)C#CCCC(CC)CCC,1,GDB ChEMBL
279291,CC1CC(C#N)C#CCC2CCCC1[NH2+]C2,0,GDB ChEMBL
395606,CNC(=O)CC(OC(N)=O)C(C)=O,1,GDB ChEMBL
372594,O=C1CNC(=O)CCNC(=O)COC1,1,GDB ChEMBL
260162,CCC(CC[NH+](C)C)c1cnc(NC)c(F)c1,0,GDB ChEMBL
112034,CC1C2CC(C(O)CCC(=O)N2)C1C1CC1,0,GDB ChEMBL
159885,[NH3+]CC1CC(O)C(C(O)C([NH3+])C(=O)[O-])N1C=O,0,GDB ChEMBL
202794,C#CCCCCC=C(C=CC)CC,1,GDB ChEMBL
244637,COCC(CO)N=CNC(=O)C(C#N)=N[O-],0,GDB ChEMBL
226237,C[NH2+]CC(C)(N)C(CC(N)=O)[NH+]=C(N)N,0,GDB ChEMBL
97142,C#CC1CCC(O)C=CC1C(=C)C,0,GDB ChEMBL
330779,CS(=O)(=O)N1CC12C1OC(=O)C2C([NH3+])C1O,0,GDB ChEMBL
40245,CC1C([NH3+])COC1C(O)C[NH3+],0,GDB ChEMBL
307974,CS(=O)(=O)C(C=O)CNC(=O)CO,1,GDB ChEMBL
312855,[NH3+]CCNC1CC2C(=O)OC1C(O)C([NH3+])C2O,0,GDB ChEMBL
174306,NC1=[NH+]CC2COC(=O)C1CN2,0,GDB ChEMBL
24258,Nc1ccc(C2CC[NH2+]C2)cc1,1,GDB ChEMBL
291527,CC1=CC(C(C)(C)C[NH3+])CC(C)(C)CC1,0,GDB ChEMBL
255319,CCCCCC1(Cc2cnn[nH]2)CCC1,1,GDB ChEMBL
206966,CCC1CCC(CCCC2CCC2)C(C)C1,1,GDB ChEMBL
7780,CCn1nccc1N(CC[NH2+]C)CC(=O)C#N,0,GDB ChEMBL
127665,CC1NC(N)=[NH+]CC2OC12C(=O)[O-],0,GDB ChEMBL
336627,CCC1CCC2=CC(C)CC=CCCC21C,0,GDB ChEMBL
151106,CC#CC(C)(O)C(=N[O-])C(CC)OCCC,0,GDB ChEMBL
90326,CCCc1cc(F)cc(C(CC)CCOC)c1,1,GDB ChEMBL
247197,C=CCCCc1cncn1CC[NH3+],0,GDB ChEMBL
374327,NC(=O)N1C(=O)C2CNC(=O)C1CO2,0,GDB ChEMBL
76829,CC([NH3+])CC(C)C#CCOC(=O)C1CC1,0,GDB ChEMBL
347880,CC(C)C[NH2+]C1C=C(C2CC2)CC1=O,0,GDB ChEMBL
142548,CC1CC=CC(=O)N2CC2C(=O)C1,1,GDB ChEMBL
366490,CCC1CC(C)C2CC1C(O)C1[NH2+]CCC21C,0,GDB ChEMBL
218587,CC1(C)C2CCC3COCC1C3[NH2+]2,0,GDB ChEMBL
104985,CC1CC2(CCCOC2)[NH2+]CCCC1(C)C#N,0,GDB ChEMBL
23659,CCOC12C[NH2+]C(CC(C)(CC)C1)C2N,0,GDB ChEMBL
222883,C[NH2+]C1CNCC2(C)CC1CCC[NH2+]2,0,GDB ChEMBL
318538,CCOC(C)(C[NH2+]C)C(O)c1oc(C)cc1O,0,GDB ChEMBL
319171,C[NH+]1CC2NC(=O)C(O)C3C2C31,0,GDB ChEMBL
119248,Cc1ncsc1C(C)NC(C)C1CC(O)C[NH2+]1,0,GDB ChEMBL
140158,CN1CC(C)(O)CC([NH3+])C2CC1C(=O)O2,0,GDB ChEMBL
76691,CCC1(CC(C)C[NH3+])CC=C(C)CC1,0,GDB ChEMBL
207317,CN1CC(C)(CC[NH3+])CC2(CO)CC2C1=O,0,GDB ChEMBL
26561,CCOC1C(C)C([NH3+])C2OC1C1CCCC12,0,GDB ChEMBL
157725,CCn1c(C)c(O)c2c1C([NH+](C)C)CC2,0,GDB ChEMBL
84917,Brc1ccc(-c2ccnn2C2CC2)cc1,1,GDB ChEMBL
210724,CC1NC2COC(C2)C(N)C1[NH+]1CCCC1,0,GDB ChEMBL
221108,CC1=CCC(C)C(C)C([NH3+])C1,0,GDB ChEMBL
151266,CCCC1C(C2C[NH2+]CC2C)N1C=O,0,GDB ChEMBL
304168,CCC1[NH2+]C2CC1C1C(=O)OC21,0,GDB ChEMBL
86713,CC12CN1C(=O)C(N)C(OS(N)(=O)=O)CC2O,0,GDB ChEMBL
363181,CC=CCC1CC(C)C(C)NC1=O,1,GDB ChEMBL
314920,C#CC(C1NCCC([NH3+])C1C[NH3+])n1ccnc1,0,GDB ChEMBL
204152,C[NH2+]CC(N)COC(=O)CS(N)(=O)=O,0,GDB ChEMBL
40892,CC(C)C1C2CCCCC(C)C1(C)C(=O)CC2,0,GDB ChEMBL
124771,C=CC(C)(C)[NH2+]C(C#CC)CCC,0,GDB ChEMBL
197052,CC1CCN2C(=O)N(C)CC12C(C)(C)C,0,GDB ChEMBL
311644,CCCC1(C2CC[NH2+]2)OC1C(C)O,0,GDB ChEMBL
85656,CCC(C)CC(C#N)=CC=C(C)C,1,GDB ChEMBL
184538,CC(=O)NCC(C)(C)NS(=O)(=O)CCO,1,GDB ChEMBL
185278,CC#CCNc1cn(C)cc1C(C)O,1,GDB ChEMBL
195452,CC1OCC2(NC(N)=[NH2+])CC3(COC3)CC12,0,GDB ChEMBL
230435,CCc1cc2c(c(C)c1CC)CC=C2,1,GDB ChEMBL
109581,C=C1C=CC(=C)C1CC[NH2+]CCC,0,GDB ChEMBL
18685,Cc1cc2c(o1)C(CC[NH3+])NC(C)(C)C2,0,GDB ChEMBL
38219,CCc1cc(I)cnc1C#N,1,GDB ChEMBL
76755,C#CC(C)(CC(C)CCC)C1CC(O)CC1C,0,GDB ChEMBL
34774,CC(O)C1NC1C1OCOC1C(=O)[O-],0,GDB ChEMBL
116647,CC(O)CCC(=CCO)C([NH3+])CO,0,GDB ChEMBL
289993,CCC(C)N(C=O)CCC1COC1C,1,GDB ChEMBL
147234,Cc1cc(CC2(C)CCC2)c(F)cc1F,1,GDB ChEMBL
173888,CC1OC(C)(CC#N)CN(C)C(C)C1C#N,0,GDB ChEMBL
38191,CC1COC(=O)CN=C(NC(N)=[NH2+])C1,0,GDB ChEMBL
151193,CCNC(=[NH2+])Nc1cc(Cl)nc2ccoc12,0,GDB ChEMBL
204832,CC1CC(C(=O)[O-])N=CN1C(N)=O,0,GDB ChEMBL
292322,CCCC#CCc1c(Br)ccc(Br)c1C,1,GDB ChEMBL
386442,C#CC1C=CCc2cc(C)cc(Cl)c2C1,0,GDB ChEMBL
89699,CC1CNC(=[NH2+])C2CC(C[NH2+]CC2O)C(=O)N1,0,GDB ChEMBL
132882,CCC1[NH2+]CC(C)N=C(OC)C(O)C1O,0,GDB ChEMBL
359132,CCC1CCC(c2cccs2)CC(C(C)C)C1,0,GDB ChEMBL
160029,C=C(C)C(=O)c1ccc(C(N)=[NH2+])s1,0,GDB ChEMBL
47743,CCC#Cc1c(Cl)cncc1Cl,1,GDB ChEMBL
120680,CCC1CCC2(O)C[NH+]1C(C(C)C[NH3+])C2O,0,GDB ChEMBL
173832,NC(=O)C(O)C1=CCCNC1=O,1,GDB ChEMBL
365819,CCC(=[NH2+])N1CC(O)CC1(C)C,0,GDB ChEMBL
209477,C[NH2+]C1CC2C3OC1(C)C2CC3C,0,GDB ChEMBL
122709,CC(C)OCC(C=CCC#N)C[NH3+],0,GDB ChEMBL
1919,C[NH+]1CC(C(=O)[O-])C2C1CCS2(=O)=O,0,GDB ChEMBL
343255,C#CC(C#N)N1C(C)C2C(O)C1CC[NH+]2C,0,GDB ChEMBL
101480,C=C1CCc2ccc(C)c(F)c2C1,1,GDB ChEMBL
137091,CC1(C2CC(O)C([NH3+])CN2)CO1,0,GDB ChEMBL
223532,CC(C)C(C)OC(=O)CO,1,GDB ChEMBL
393944,CC(O)C([NH3+])CC1OC(=O)[N-]S1(=O)=O,0,GDB ChEMBL
31271,Cc1ccc(Cc2ccc(CO)nc2C)cc1,1,GDB ChEMBL
369866,CCCCc1cc(CCC(C)[NH3+])c(C)nc1Br,0,GDB ChEMBL
313371,CC[NH+](C)C1COCC12CN2CCO,0,GDB ChEMBL
70078,C=C(C=C(C[NH3+])CCCC)C(C)C,0,GDB ChEMBL
224021,Cc1cc2c(Br)c(Br)ccc2c2c1OCC2,1,GDB ChEMBL
130879,CCN(C)c1cc(O)cc(Cl)n1,1,GDB ChEMBL
267356,CC1CC2Cc3c(F)cccc3C1C2,1,GDB ChEMBL
271091,O=C1C[N-]C(=O)NC(=O)OCCN1,0,GDB ChEMBL
354824,CCCC12C[NH2+]CC([NH3+])C1C2C,0,GDB ChEMBL
80482,Cc1cnc2c(C[NH3+])c(CCO)ccc2c1Cl,0,GDB ChEMBL
348457,CS(=O)(=O)NC12CNC1C(=O)OC2,0,GDB ChEMBL
99702,c1cc2c(cn1)C1CC1C1CCCC21,0,GDB ChEMBL
332360,Brc1cc(Br)c2c(c1)CCC1C[NH2+]CC21,0,GDB ChEMBL
396067,CC(CO)C1CC2CC1([NH3+])C(N)C[NH+]2C,0,GDB ChEMBL
287326,NS(=O)(=O)OC1C(O)CC2[NH2+]CC(C[NH3+])C21,0,GDB ChEMBL
118664,CCC1(C)CC2C=CC(C1)C1CCC21,0,GDB ChEMBL
121110,CCC1CCC2CCC([NH3+])C(C)CC12,0,GDB ChEMBL
108129,NC(=O)C1(CO)OCC([NH3+])C1O,0,GDB ChEMBL
67391,C#CCS(=O)(=O)N(C)CCO,1,GDB ChEMBL
155775,CCCCC1C2CCC=C2C1CC(C)CC,0,GDB ChEMBL
39669,C[NH2+]CC1(CC(C)(C=NO)CC(N)=O)CC1,0,GDB ChEMBL
111612,CC1NC2C(=O)N(C)CC1C(C)(C)C2=O,0,GDB ChEMBL
130228,CCCC1C(C#N)OC(=O)N1C,1,GDB ChEMBL
251413,CC(=[NH2+])N(C)C1C(=O)CC(C)(C)NC1=O,0,GDB ChEMBL
34198,C[NH+]1CCCC(O)(C2CC2)C1,0,GDB ChEMBL
367646,C#CC(C(C[NH3+])C(N)C[NH3+])N(C)S(C)(=O)=O,0,GDB ChEMBL
303919,NC(=O)n1cnc(CCO)n1,1,GDB ChEMBL
77807,CCC(NC(C)=O)C1C(O)C2CC1(CC)C2,0,GDB ChEMBL
360844,CC[NH2+]C1CC(N)=[NH+]CC12COC(=O)N2,0,GDB ChEMBL
98570,CC(=O)NCC(C)(C)Cc1cc(=[NH2+])[nH]c(N)[nH+]1,0,GDB ChEMBL
255543,N=C1NC(N)=[NH+]C(C(=O)[O-])CC1O,0,GDB ChEMBL
386478,CN1CC(=O)NC2COC2(CC=O)C1=O,0,GDB ChEMBL
296359,CCCC(CCCCO)C([NH3+])(CC)CC,0,GDB ChEMBL
72391,O=CCC1NCCN(C=O)C1=O,1,GDB ChEMBL
350958,CCC(C=O)(CC(=O)[O-])C(C)(C)C(C)[NH2+]C,0,GDB ChEMBL
372500,CCC12CCOCC1CC(C)([NH3+])C[NH2+]2,0,GDB ChEMBL
45928,CCC1C=CC2CCC(C)C1C2[NH2+]C,0,GDB ChEMBL
181721,N=C(CC(F)(F)F)NC(=[NH2+])CCCO,0,GDB ChEMBL
210153,CCC(C)(C)NC(C#N)C1=CCOC1=O,1,GDB ChEMBL
337070,C=Cn1ccc(CC(C)CC)c1C,1,GDB ChEMBL
108176,CCC1CC2C(=CC[NH2+]1)CCC2C,0,GDB ChEMBL
296596,CCCC(O)(CCC)CCC1CC[NH2+]1,0,GDB ChEMBL
279974,COCC(=O)OC1CC(O)C1[NH+]=C(N)N,0,GDB ChEMBL
115940,CCCC(O)C([NH3+])CN(C=O)CC,1,GDB ChEMBL
126873,CCC(CNC1C(CO)C1OC)[NH+](C)CC,0,GDB ChEMBL
197222,CC#Cc1cc(N)c(N(C)CC=O)cn1,1,GDB ChEMBL
148330,NC(C[NH3+])C1CCN1C1COC1,0,GDB ChEMBL
140763,CC1CC=CC12CC2[NH+]1CC(O)C1,0,GDB ChEMBL
120849,CCc1c(C)ncc(Cl)c1CC(C)C(=O)CO,1,GDB ChEMBL
325857,NC(=[NH2+])NC(C(N)=O)C1CC2OC1C(N)C2[NH3+],0,GDB ChEMBL
269200,C=CC(CCC[NH3+])CC(=C)C=CC,0,GDB ChEMBL
136724,CC1CC(C)(C)C2CC(C[NH3+])CC2C1C,0,GDB ChEMBL
330071,CCN(C)c1cc(C(C)C)c(I)cc1CCO,1,GDB ChEMBL
265551,CC([NH3+])C(O)C1(C#N)CC1,0,GDB ChEMBL
203596,CCCN(CC)C(=O)C1C(C=O)NC(=[NH2+])C1C,0,GDB ChEMBL
26034,C[NH+]1CCCC(C#N)C(O)C[NH2+]CCNCC1,0,GDB ChEMBL
232083,CCC[NH2+]CCCC[NH2+]C(C)(C)C(C)C,0,GDB ChEMBL
201684,CC(=O)NC1C2(C)COC(=N)C12N,0,GDB ChEMBL
173112,C#Cc1ccc(Br)c2c1CCCCO2,1,GDB ChEMBL
372552,Cc1ccnccnc(CC(F)(F)F)cc1N,0,GDB ChEMBL
51064,Nc1cc(F)cnc1CC1(CO)CN1,1,GDB ChEMBL
2963,CC1C[NH2+]C2CCC3C1CCC23C,0,GDB ChEMBL
133187,CC1([NH3+])C2(C)Cc3ccc(N)cc3C12C,0,GDB ChEMBL
234462,C#CC(CO)C1C(C)CCC1[NH+](C)C,0,GDB ChEMBL
108731,CC(C)C1C[NH2+]C2(CC(N)=O)CCC(C2)O1,0,GDB ChEMBL
218782,FC(F)(F)c1nc(CC2CN2)cs1,1,GDB ChEMBL
115929,CC[NH2+]C1CC2C3C(CN2C)C13,0,GDB ChEMBL
387248,C#CCC1C=CCc2c1ccc(F)c2C,0,GDB ChEMBL
68635,CCC(=O)C1CC(C)CC1=O,1,GDB ChEMBL
123029,CCCC(CO)(CC[NH3+])[NH+]=C(C)NCCCO,0,GDB ChEMBL
203253,C[NH2+]C(C)(C)CC(C)(C)C1CC=CC1,0,GDB ChEMBL
17648,N#CCCN=CNc1nccn1CC(=O)[O-],1,GDB ChEMBL
334019,Nc1nc([N+](=O)[O-])ncc1CCCO,1,GDB ChEMBL
62574,CCCC(O)C1OC(C(=O)[O-])OC(CO)C1O,0,GDB ChEMBL
202831,CC(C)(C[NH+]1CCC(CO)C1)OS(N)(=O)=O,1,GDB ChEMBL
223301,CC(C=O)(C=O)CCC#CC[NH2+]CC(=O)[O-],1,GDB ChEMBL
352182,C[NH2+]CC(C=O)C1(O)CCCOC(C)C1,0,GDB ChEMBL
271545,[NH3+]C1CNC(=O)C2NC1C1NC(=O)C2C1O,0,GDB ChEMBL
356804,CCC1CC(C)(C)OCC(O)C1(C)C,0,GDB ChEMBL
203518,CNC(=O)C1([NH3+])CCC1C1CC1,1,GDB ChEMBL
124796,CC1C2C[NH+](C1C)C(CO)C2O,0,GDB ChEMBL
50901,CC1C([NH3+])C(N)(CC(=O)[O-])C1C[NH3+],0,GDB ChEMBL
115454,CC(=O)C1C(C)C(C(=O)[O-])C2CC21CO,0,GDB ChEMBL
354855,CCN1C(=O)C2CC3CCC24C3C14,0,GDB ChEMBL
397984,CC1CC([NH3+])c2cc(Br)ccc2C(C)(CO)C1,0,GDB ChEMBL
358938,COC(C1CCC[NH2+]1)C1(O)CN(C)C1C,0,GDB ChEMBL
102276,CC1C2NC(=O)C3C2C(O)CC13C,0,GDB ChEMBL
292917,CCC(C)C1[NH2+]C2C(O)CCC12,0,GDB ChEMBL
310978,C=CCC([NH3+])C(C)CCC1([NH3+])CC1,0,GDB ChEMBL
59722,CCC([NH+]=CN1CCC1)C(N)CO,0,GDB ChEMBL
205800,CCC1(CCO)C(C#N)=CNC(=O)C1C,0,GDB ChEMBL
317549,CC(C)(CCC=O)N1CC(=O)NC1=O,1,GDB ChEMBL
103547,O=C1CC(n2cnc(=O)c(CO)c2)C2CN12,0,GDB ChEMBL
100704,CCC1CC2CCCC1C(C1CC1)C2,0,GDB ChEMBL
115611,CC(C)C(O)C(C)(C)C(=O)[O-],1,GDB ChEMBL
111883,C#CCC#CCC([NH2+]CC)C(C)C,0,GDB ChEMBL
247636,CCCC1COC1(C)C(O)C(N)C#N,0,GDB ChEMBL
310173,CCNc1nc2c(ncn2C)c(F)c1C,1,GDB ChEMBL
275556,C[NH2+]C1C(O)C2NCC(=O)NC(=O)NC2C1O,0,GDB ChEMBL
346858,C#CCCC1(O)C([NH3+])CC(CC)C1CCCC,0,GDB ChEMBL
115449,COC1CC2C(C)OC(=O)OC2C1O,1,GDB ChEMBL
9791,O=C1CC(=N[O-])c2nocc2NCCN1,0,GDB ChEMBL
126828,[NH3+]C1C2OCC(CC(=O)[O-])(O2)C1O,0,GDB ChEMBL
263964,CC(C)C(O)CC1COCO1,1,GDB ChEMBL
195392,CCc1ccc[nH]c(C(C)C)cc(C)c1N,0,GDB ChEMBL
227492,CNC(NC(C#N)CO)=[NH+]Cc1scnc1N,0,GDB ChEMBL
65565,OCCC1C[NH2+]CC12C[NH2+]C2,0,GDB ChEMBL
271586,CCCCC1CCCC(C)C(C)(CCC)CC1,0,GDB ChEMBL
121939,C#CCc1ccc(O)ccc(C)cc(=O)[nH]1,0,GDB ChEMBL
93119,CC1(C[NH3+])C2CC(CO)C(=O)OC21,0,GDB ChEMBL
22506,Cc1c(F)c2c(c3cc[nH]c13)CC=C2,1,GDB ChEMBL
81752,CC1CC12CNC(=O)NC(CC[NH3+])C2O,0,GDB ChEMBL
379137,C#CC1(CCCCCO)CC(O)C(C(C)O)C1,0,GDB ChEMBL
207965,Cc1c(Cl)c(C)c(C(C)C(C)O)c2c1CCO2,1,GDB ChEMBL
203226,CC(=[NH2+])Nc1ccc(Cl)cc1,0,GDB ChEMBL
23451,CCOC(=O)C1(C2(N)C[NH2+]C2)CC1,0,GDB ChEMBL
6831,CC#Cc1cnccc1CC(C)(C)C,1,GDB ChEMBL
383797,N#CCCC1OCCCO1,1,GDB ChEMBL
395149,CNS(=O)(=O)C(N)C(=O)OCCCC[NH3+],0,GDB ChEMBL
80216,COC(=O)C1(N)[C-](C#N)C(=O)N2C(C)C21,0,GDB ChEMBL
239324,NC(=O)N1C(CO)C1CC(=O)[O-],0,GDB ChEMBL
289430,C#CC1C[NH2+]Cc2cccc3c2C1C(C)(C)C3,0,GDB ChEMBL
267903,NC(=[NH2+])NC1C[NH+]=CNC(C(N)C(O)CO)C1,0,GDB ChEMBL
134009,CCC1C=CC(C)(C[NH+](C)C)C(C)(C)[NH2+]1,0,GDB ChEMBL
70894,C#CC(OC)c1cc(Br)c2cc(Br)ccc2c1,1,GDB ChEMBL
353930,CC[NH2+]C(C)C1OCC1=O,0,GDB ChEMBL
23489,C#CCC1CC(C)C2(CC[NH2+]C2)C1CC(C)C,0,GDB ChEMBL
69610,[NH3+]Cc1cc2c(cn1)CC(O)CC[NH+]=CNC2,0,GDB ChEMBL
130229,COC(=O)NC(CO)C(=O)[O-],0,GDB ChEMBL
16542,CCCC1NC(=O)NC(=N)C(C)C1=O,0,GDB ChEMBL
385608,COCCC(CO)n1cnc2nccnc21,1,GDB ChEMBL
251001,NC(=O)C1CC[NH2+]C(CO)CN1,0,GDB ChEMBL
50923,CN1C2C[NH+](C)C(C(=O)[O-])C(N)C21CO,0,GDB ChEMBL
152625,NC(=[NH2+])NCc1cc(=O)c(N)cc(=O)[nH]1,0,GDB ChEMBL
129822,C#CCNCC([NH3+])CC(O)C[NH3+],0,GDB ChEMBL
170246,Cc1cccc2ccc(N)c(C(C)[NH3+])c12,0,GDB ChEMBL
112081,N#CC(C(O)C=O)N1CCC(O)CC1=O,1,GDB ChEMBL
30383,CC1CC(=O)NCCC1NC(N)=[NH2+],0,GDB ChEMBL
191296,Cn1cc(C(C[NH3+])C(N)CC[NH3+])nn1,0,GDB ChEMBL
274050,Cc1noc(CC[NH+]=C(N)C(=O)[O-])n1,1,GDB ChEMBL
153295,Cc1ccc(Cc2coc(CO)c2)o1,1,GDB ChEMBL
308012,CNC(=O)C1(CO)CC(CO)C(OC)CC1C,0,GDB ChEMBL
255387,N#Cc1occc1C[NH3+],0,GDB ChEMBL
234249,C#CC1CC=C(C(C)=O)CCCC1,0,GDB ChEMBL
214735,CNC(=[NH2+])NC(CO)C(C)O,0,GDB ChEMBL
137061,C#CC(OC)c1cccc(F)c1C(C)C,1,GDB ChEMBL
376674,CC1=CCC(OCCO)C=CC1,1,GDB ChEMBL
147871,CC1CCC2C(O)C(=O)N(C(C)C[NH3+])C=NC12,0,GDB ChEMBL
53028,C#CC1C=CCC(C)[NH+](CCC)C1C,0,GDB ChEMBL
208578,CC1NC(=O)C([NH3+])C(O)C(O)CC1C#N,0,GDB ChEMBL
237963,CC1CCOC2CC([NH3+])(C2)C(=O)N(C)CC1,0,GDB ChEMBL
370362,CCC(C)(C)C(C)CC1CCCCC1C(C)C,1,GDB ChEMBL
26988,C#CC(CC=CC)C(CC)C(C)C,1,GDB ChEMBL
346518,[NH3+]C1COCC([NH3+])C12CCCN(C(=O)CO)C2,0,GDB ChEMBL
79316,CCC1([NH3+])C2CNC(=O)C21,0,GDB ChEMBL
214764,CCCNc1cc(I)cc(N)n1,1,GDB ChEMBL
49106,C#CC1([NH2+]C(C)C)CCN(C(C)=O)CC1,0,GDB ChEMBL
121988,CCC12CCC(C(C)C1)C(C)C2,1,GDB ChEMBL
391268,COC1C=CC2CC(=O)OC1(C)C2,0,GDB ChEMBL
153350,Oc1ncc(C2CO2)cc1Cl,1,GDB ChEMBL
76715,C#CC1CC(C)C(C)(C)C([NH+](C)C)C1CC#N,0,GDB ChEMBL
216583,C#CC(CC(C)(C)O)[NH2+]C,0,GDB ChEMBL
55536,C[NH2+]C1CN=CNC(C#N)(CO)C1,0,GDB ChEMBL
26456,N#CC1N(CCO)C12C[NH2+]C2,0,GDB ChEMBL
124577,CC1CCCCC2C3CC3(C#N)CC[NH+]2C1,0,GDB ChEMBL
144597,O=C([O-])C1(CCC(O)CO)CO1,0,GDB ChEMBL
148853,CC(N)C(=O)[N-]S(=O)(=O)C1C2CC1C([NH3+])CN2,0,GDB ChEMBL
313317,CCCC1OC(=O)NC2CC1C2,1,GDB ChEMBL
377803,CCCn1cc(NC(=O)OC)cc1CO,1,GDB ChEMBL
358268,C=CCn1c(C=CC)cnc1CO,1,GDB ChEMBL
330489,CC1c2ccncc2C2CC12C[NH3+],0,GDB ChEMBL
319179,C1=CC2CC[NH2+]C3CC(C1)CC2C3,0,GDB ChEMBL
125607,C#CCCCC([NH3+])C1CCC1C([NH3+])CC#N,0,GDB ChEMBL
34944,COCC(=O)N(C(=N)N)C(=N)N,1,GDB ChEMBL
352213,CC1CCCC2CC([NH3+])C(C)CC2C1,0,GDB ChEMBL
173873,CC1CCC(CCC[NH+](C)C)C2C1C2(C)C,0,GDB ChEMBL
109768,CCCCC#CC12CCCC(C)C1C2,0,GDB ChEMBL
124576,CC1OCc2c(nn(CCCO)c2[O-])C1N,0,GDB ChEMBL
352858,CCCCCC12CCC(C[NH2+]C(CCC)C1)[NH2+]2,0,GDB ChEMBL
222820,NC(=O)NCC1([NH3+])CCOC1,0,GDB ChEMBL
132225,CCCC1OC(C)C2C(OC)C12,1,GDB ChEMBL
235684,CCCC(=N)NC(=O)C1=CCC([NH3+])(CN)C1,0,GDB ChEMBL
268175,CC[NH2+]CCC1(C(F)(F)F)CC1,1,GDB ChEMBL
101509,COCCC1NC(=[NH2+])CCC(=O)OCCC1C,0,GDB ChEMBL
131682,CCOC1C(=O)C(=O)NC(=O)NC(=N)CC1O,0,GDB ChEMBL
64608,C=C(CC(C)=CC)CC(CC)[NH2+]C,0,GDB ChEMBL
182904,CC(C[NH2+]C(C)(C)C)N(C)C,0,GDB ChEMBL
223260,CC[NH2+]C(C)CCOC(C)=O,1,GDB ChEMBL
387310,C#CCCc1c(C)cn2cc(Cl)ccc12,1,GDB ChEMBL
143496,C=C(CC1(CC)CC1)C(C)C(C)O,1,GDB ChEMBL
17471,[NH3+]C1CN(Cc2nn[n-]n2)CC1O,0,GDB ChEMBL
215491,N#CC1(C(=O)[O-])C(=O)N2CC21,0,GDB ChEMBL
255557,Cc1ccc(C(C)C2C(C)CC3CC32)cc1,0,GDB ChEMBL
104601,CNC(COC(C)=O)(CC(N)=[NH2+])C(C)=NO,0,GDB ChEMBL
104662,C#CC1C(C[NH3+])CC(C#C)[NH+](C)CC1CC,0,GDB ChEMBL
134810,CN(C)c1ccc(C(C)(C)CO)cc1Cl,1,GDB ChEMBL
251946,C#Cc1cc(C)c(C)c(C)[nH]ccc1N,0,GDB ChEMBL
343261,CCc1nc(C)c(CC(C#N)NC(C)=[NH2+])[nH]1,0,GDB ChEMBL
397957,Cc1cccc(CCC2CC3CCC2(C)C3)c1,1,GDB ChEMBL
35733,CCC1N(C(C)(C)C)C(=O)N(C)C2CC21C,0,GDB ChEMBL
313729,COCCC(C)(C)C(C)C1=CCCCC1,0,GDB ChEMBL
186036,Nc1cc(=O)c2c(C=O)c[nH]c2c(O)n1,0,GDB ChEMBL
240763,CC1(C(=O)C2CC2)C=CCO1,1,GDB ChEMBL
156764,C#CCc1cc(Br)c(Br)cc1C(F)(F)F,1,GDB ChEMBL
50067,C#CC1C(OC)C(C)([NH3+])CN1CC(N)=O,0,GDB ChEMBL
132825,CC(CS(=O)(=O)NC=N)C(N)=O,1,GDB ChEMBL
16025,CCC1(O)CC(C(C)O)C([NH3+])CC12CCC2,0,GDB ChEMBL
204317,CC1C[NH+]2CCC1C1CCC(C2)C1C,0,GDB ChEMBL
203507,CC#CC1(C(O)C(CC)NC(N)=O)CC[NH2+]1,0,GDB ChEMBL
4731,OCC12CCc3cccn3C1C2,0,GDB ChEMBL
337088,CC1CNC(=[NH+]C(C)c2ccc(Br)c(Br)c2)N1,0,GDB ChEMBL
252349,Cc1nn(CC[NH3+])c(=N)c(Br)c1OCC(=O)[O-],0,GDB ChEMBL
186662,CNC(=O)NC(=N)OC(CO)CCCC=O,1,GDB ChEMBL
159690,CC([NH3+])c1c(C[NH3+])ncc([O-])c1F,0,GDB ChEMBL
84568,CCN1CC2C(CC[NH+]2C)CC1C#CC[NH3+],0,GDB ChEMBL
104743,CC1CCOC2CCC(C)C(CC1)C2,0,GDB ChEMBL
236568,CC(C)(C)C1CCCCCC2CCCC=C21,0,GDB ChEMBL
337794,CC(N)(C#N)c1cc(CC(=O)[O-])c(F)c(N)n1,0,GDB ChEMBL
242658,C#CC1C=CCC[NH+](C)CC1CO,0,GDB ChEMBL
101472,CCCCCC1=CC#CC=CC(C)CC1O,0,GDB ChEMBL
304344,CC(CNc1ncns1)CC(N)=O,1,GDB ChEMBL
120841,CN1C(=O)OCC2OCC3(C)CC(C[NH3+])C1C23,0,GDB ChEMBL
226254,CC1(C[NH3+])CCC(=O)NC2CC(C)(C2)O1,0,GDB ChEMBL
132885,Fc1ccc2c(n1)NC=NC2,1,GDB ChEMBL
132503,CCN1C(=O)CCC1C1CCO1,1,GDB ChEMBL
326436,CC1OCC(O)CC12CC2,1,GDB ChEMBL
87532,CCC1=CC2C[NH2+]C(C2)C(C)(C)CC1,0,GDB ChEMBL
58952,CNC(COCC(N)=O)C(=O)n1cc(C)nn1,0,GDB ChEMBL
248220,CC1CC(=O)C2(C1O)C(C#N)C2C(N)=O,0,GDB ChEMBL
87063,CN(CCC#N)CC1NC1C#N,0,GDB ChEMBL
372719,CCC(C)=C1CCC(O)COC1=O,1,GDB ChEMBL
342326,CN1CC([NH3+])C2CC21C([NH3+])C(N)C(=O)[O-],0,GDB ChEMBL
121116,C1CCC2=[NH+]CCC(CC1)C1C[NH2+]CC(C1)N2,0,GDB ChEMBL
397910,CCCC1C(CN)[NH2+]CC12OCC=CCO2,0,GDB ChEMBL
358562,CCCC(C)C#CC(=O)OC(C)(C)C,1,GDB ChEMBL
121099,CCCCC1(N)COC1=O,1,GDB ChEMBL
138353,Nc1cnc([N+](=O)[O-])c(CC(O)C[NH3+])n1,0,GDB ChEMBL
233908,CC(O)COC(C#N)COS(N)(=O)=O,1,GDB ChEMBL
44121,CC([NH3+])CNC(=O)CNC(=N)C(O)CO,0,GDB ChEMBL
301218,CC(O)CC1CC2=CCCC2[NH2+]1,0,GDB ChEMBL
330554,CC(O)C1OC(C)C([NH3+])CC1O,0,GDB ChEMBL
181636,COCCC(O)C(CC[NH3+])OC(C)=O,0,GDB ChEMBL
309181,CC(=O)C([NH2+]C(C)C1OCC(C)C1O)C(C)O,0,GDB ChEMBL
383068,CC(O)C12[NH2+]CC1COC(=O)CC2C,0,GDB ChEMBL
207278,CCC(C#N)[NH+]=C(N)c1[n-]c(=O)ccc1C#N,0,GDB ChEMBL
321785,CC(=O)NCC1C=CC(=[NH2+])NC1C(C)(C)C,0,GDB ChEMBL
277873,CCC1Cc2c[nH+]c3n2C1CC3,0,GDB ChEMBL
2973,CCC(C)c1ccnc(C)c1C1CCCC1,1,GDB ChEMBL
240493,CCc1c(C)nc(OCC(CC)CC)oc1=O,1,GDB ChEMBL
115056,CC[NH2+]CC1(CC([NH3+])CC)CC1,0,GDB ChEMBL
372689,[NH3+]CC1NC(=O)CNC=[NH+]C2COC1C(O)C2,0,GDB ChEMBL
196773,CN=C1CC(C(C)=O)C(O)CCCO1,0,GDB ChEMBL
32003,CCCC(C#CCCO)C1CC1,1,GDB ChEMBL
372188,CCC(C)CC(C)C1(C)CCC(C)C(C)C1,0,GDB ChEMBL
104606,CC1C2CC(C(=O)[O-])C(O)(C2)C1O,0,GDB ChEMBL
203242,CC12CCC(=O)N1CCC1COCC1C(=O)C2,0,GDB ChEMBL
298238,CCC1C(C)CC(C#N)C1O,1,GDB ChEMBL
181620,CC1(C)CC1C1(C)CCC2CCCC1C2,0,GDB ChEMBL
44063,CCC1[NH2+]C(C(C)C)C(O)C1N,0,GDB ChEMBL
331706,CC1CCC(O)C(C)C(NC(=O)CO)C(=[NH2+])N1,0,GDB ChEMBL
285065,CC(=O)NC1C2N=C(N)C1(O)C2S(C)(=O)=O,0,GDB ChEMBL
38496,CC[NH2+]C1C(CC)C2CCC1C(C)(C)O2,0,GDB ChEMBL
7363,N=C(N)NC(=O)C1CC(O)CC1C(O)C(N)=[NH2+],0,GDB ChEMBL
105949,CCC[NH+]1C(C)C2COC(C[NH3+])C2(C#N)C1C,0,GDB ChEMBL
250641,CC(O)C([NH3+])C1OC(=O)C2CC2O1,0,GDB ChEMBL
122916,CC(C)[NH2+]CC1OC2C(C)CC(C)(O)C12,0,GDB ChEMBL
149959,C[NH+]=C1CC(O)C(C)CN1,0,GDB ChEMBL
330889,C#CC(CC(F)(F)F)C(=O)Cc1ccccc1,1,GDB ChEMBL
29918,CC#CCC(OCC[NH3+])C(O)C1CN1,0,GDB ChEMBL
303866,CC(C)(CCC1CCCO1)C1CCC1,1,GDB ChEMBL
122708,CNC(=O)C1(N)CC(C)(O)CC1S(N)(=O)=O,0,GDB ChEMBL
252583,CC(O)C(O)CC(C=O)=CC(N)=O,1,GDB ChEMBL
39990,Clc1cc2cc(c1)CC=CC=CCCC=C2,1,GDB ChEMBL
330400,C#CC1CCC2(C(C)C)C(=O)N(CC)CC12[NH3+],0,GDB ChEMBL
77289,CCCCC(C)C1CC(C)CC2CC(C)C1C2,0,GDB ChEMBL
361676,NC(=O)CC1NS(=O)(=O)CC2OC12,0,GDB ChEMBL
34335,CCNC(=[NH2+])NC(C=O)CC[NH+]=CN,0,GDB ChEMBL
177049,CC1CC(CO)CC1[NH+]=CN,0,GDB ChEMBL
27016,CC1=CC(C)C(C)(C(F)(F)F)C(O)C1,0,GDB ChEMBL
79562,NCC12Cc3ncccc3C(C1)C1(CC1)[NH2+]2,0,GDB ChEMBL
53331,N=C1NC(=O)NC2C(O)C2C(N)C(=O)N1,0,GDB ChEMBL
22792,CC1C(C2CC2[NH3+])C(C(=O)[O-])NS1(=O)=O,0,GDB ChEMBL
271621,CC(O)C1C([NH3+])C1(O)C(=O)[O-],0,GDB ChEMBL
61776,C1CC2C3CC(C4OC24)[NH+](C1)C3,0,GDB ChEMBL
80493,CCCC1CC(C)C(O)C2(CC)COC12,0,GDB ChEMBL
53253,CC12CCCC1C1(C)OC1CC2,1,GDB ChEMBL
36216,O=C1NCc2c1c(CCO)n[nH]c2=O,1,GDB ChEMBL
29609,COC(=O)C1(C(C)(O)C=O)NCC(=O)NC1=O,0,GDB ChEMBL
320422,C#CC(C)CC(C[NH2+]C)C([NH3+])CO,0,GDB ChEMBL
215343,[NH3+]C1CCCCC12COCC(CO)OCCN2,0,GDB ChEMBL
39765,Nc1ncc(Nc2cc(=O)o[cH-]2)cn1,0,GDB ChEMBL
161947,CCC(CCc1nc(C)nc(O)n1)NC=O,0,GDB ChEMBL
116640,CN1C(=O)NCC2CC(S(C)(=O)=O)(C2)C1=O,1,GDB ChEMBL
210228,CCC(C)C1C2C=CC1CC(C)(CC)C2,0,GDB ChEMBL
311306,CC1OC2C(O)C1[NH+](C)C1CC21,0,GDB ChEMBL
828,C#CCCC(C(=O)[O-])=C(C#N)C#N,0,GDB ChEMBL
293819,CC(O)C(O)COS(N)(=O)=O,1,GDB ChEMBL
152564,CC12CCC(c3ccc(Br)cc3C1)C(C)(C)C2,0,GDB ChEMBL
199027,C#Cc1c(N)cc(C(C)OC(C)C)cc1CC,1,GDB ChEMBL
132497,CC1C(O)CC2=CC(CC[NH3+])CC21,0,GDB ChEMBL
218774,Cc1cncc(F)c1C1C(C(C)[NH3+])N1C,0,GDB ChEMBL
113612,CCC(CO)(CCCOC)[NH2+]C(C)(C)C[NH3+],0,GDB ChEMBL
144584,[NH3+]C1C(O)C2CCCC23C(=O)NCC32OC12,0,GDB ChEMBL
4925,Fc1cc2c(c(F)c1F)N1CC1C[NH2+]C2,0,GDB ChEMBL
227725,CC1CC[NH2+]C2CCC(C)[NH+](CCCCO1)C2,0,GDB ChEMBL
385944,O=C1NCC23OCCC1C2C3O,0,GDB ChEMBL
131638,C[NH2+]C1C2CCCC(C)C(C2C)C1(C)C,0,GDB ChEMBL
360828,CCCC1c2cnnn2CC[NH+](C(C)C)C1C,0,GDB ChEMBL
347025,CC(O)C1[NH2+]CC(C#N)C1C(C)NC(=O)C[NH3+],0,GDB ChEMBL
345471,NC1(C[NH3+])C(=O)OCC12CCNC2=O,0,GDB ChEMBL
70964,CCC1[NH2+]C2CC1C1CCCC(C)C21,0,GDB ChEMBL
112520,C#CC1(C)C(OCC)C1C(N)=O,0,GDB ChEMBL
249500,CC1OCC(=O)NC(=N)NC(=N)C1O,1,GDB ChEMBL
363238,CN1C(=O)NCC1CCCO,1,GDB ChEMBL
288920,CN1CC2CS(=O)(=O)CCC(=NCC1=O)O2,1,GDB ChEMBL
343968,CNS(=O)(=O)C(CO)NC(=O)C[NH3+],0,GDB ChEMBL
186639,[NH3+]C1CC([NH3+])CC2C(CO)C2C1,0,GDB ChEMBL
296590,CCCC(C(C)C=O)C1(C)CC2CC2C1,0,GDB ChEMBL
173698,CC12CCC(C)(C1)C1CC2c2cccc(Cl)c21,1,GDB ChEMBL
308282,CC(O)C1C(=O)NC(=O)[CH-]C(=O)OC1C,0,GDB ChEMBL
211158,CN1CC2[NH2+]CC(O)C2C(=O)OCC(=O)C1=N,0,GDB ChEMBL
174640,C[NH+]1CC2C(C(N)=O)(CNS2(=O)=O)C1,0,GDB ChEMBL
73264,CNC(=NCCCCC[NH3+])S(=O)(=O)[O-],0,GDB ChEMBL
207666,CC1CC2CCCC1(C=O)OC(CO)C2,0,GDB ChEMBL
345727,NS(=O)(=O)CC(O)C1CC(O)C[NH2+]1,0,GDB ChEMBL
150492,C=CC1(COC)CC2C=C(C)C1C2,0,GDB ChEMBL
362656,CS(=O)(=O)N1C(CCO)=NCC1C=O,0,GDB ChEMBL
34777,CCC(O)c1cc(F)c(C)oc1=O,1,GDB ChEMBL
310752,C=C1CC(C[NH3+])C(C)OC1C(N)=O,0,GDB ChEMBL
236040,CNC(=O)NC1C(=[NH2+])NCC(C)CC1N,0,GDB ChEMBL
207402,CC(C)C1C(C)CCCc2ccccc2C1C,1,GDB ChEMBL
190065,CCC(CC1(O)COC1CC)C(=O)C(C)C,0,GDB ChEMBL
40348,C[NH2+]CC1CCC=C(C)C2C(CC(C)C)C12,0,GDB ChEMBL
112580,C[NH2+]C(CO)CC1CNS(=O)(=O)OC1(C)C,0,GDB ChEMBL
662,CC[NH2+]C(C)C1OCc2cc(=O)[nH]nc21,0,GDB ChEMBL
50270,CN1C(=O)CCCC2C(C3CC3)CC(=O)C21,0,GDB ChEMBL
207328,CC1(C)C(=O)CCn2cncc2CC1=O,0,GDB ChEMBL
362327,Brc1ccc2c(c1)C1CC1c1cccn1-2,0,GDB ChEMBL
259378,CCOC(C#N)CCS(=O)(=O)CCO,1,GDB ChEMBL
83145,CC1C(O)C2OC(S(N)(=O)=O)C1NC2=O,0,GDB ChEMBL
222190,NC(=O)C1CN1C1CCC(O)C1,0,GDB ChEMBL
157432,COC(=O)C(=O)Nc1nc(C)n(C)c1N,1,GDB ChEMBL
214771,O=CC(C=O)CC1CCCC1,1,GDB ChEMBL
188129,C#CCN1C(=N)NC(=NC(C)CCCC)C1=O,0,GDB ChEMBL
304578,COCC(C)(CCS(C)(=O)=O)S(=O)(=O)CCO,0,GDB ChEMBL
21521,CC(N)C1[NH2+]CC(C(N)=O)C1C,0,GDB ChEMBL
8699,COc1cc(C)n(C2C3CCCC32)c1,0,GDB ChEMBL
112554,C=CNC(=O)C(=O)NC(=O)NCC,1,GDB ChEMBL
155773,N=c1[nH]cnc([O-])c1C(N)=O,0,GDB ChEMBL
298928,C[NH+](C)C(CO)C(N)C(=O)[O-],0,GDB ChEMBL
133206,C[NH2+]CC(CC(=O)[O-])c1c[nH]c(O)c1C,0,GDB ChEMBL
191415,CC1(C)CC(C)(C)C2C(=O)NCC2O1,0,GDB ChEMBL
143791,CCN1C(=O)C(C(=O)[O-])C1S(N)(=O)=O,0,GDB ChEMBL
339959,COC1C(O)C1C(O)C(C=O)NC(N)=[NH2+],0,GDB ChEMBL
302467,CNC(C[NH3+])C(=O)N(C=O)C(C)=O,1,GDB ChEMBL
46906,CCCC1(C[NH2+]CC)CC(=O)C(CC)C1CC,0,GDB ChEMBL
377939,CNC(C#N)(CCO)CCC1OC2CCC1C2,0,GDB ChEMBL
5885,CN1C2C=C(C#N)COC(=O)C1CC2,0,GDB ChEMBL
391611,CC1CC(OC(C)C[NH+]=C(N)N)C(C)C[NH2+]1,0,GDB ChEMBL
172789,CC1(C#N)CC(C(=O)[O-])CO1,0,GDB ChEMBL
57324,CC([NH3+])CC(C(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
186667,CC(C)CCC(C)C1(C)CCCCCC1,1,GDB ChEMBL
66692,CCCN(C)C1CC[NH2+]C1C(C)([NH3+])C(C)CC,0,GDB ChEMBL
391606,CC[NH2+]C1COC2C([NH3+])C2(O)CC(O)C1,0,GDB ChEMBL
38518,C[NH2+]CC(N)C(C)([NH3+])C(C)CO,0,GDB ChEMBL
222174,CCC[NH+](CCC)C1CCCC(C(C)(C)C)C1,0,GDB ChEMBL
304822,C[NH2+]CC1(O)C(N)C(NC(N)=[NH2+])C(O)C1O,0,GDB ChEMBL
379171,CCCC1(CC[NH+](C)C)CC2(C)CCCC21,0,GDB ChEMBL
19643,COC(=O)C12CC(O)C(O)C(O)C1C2,0,GDB ChEMBL
338377,CC1C2[NH2+]CCCC3C(=O)C(=O)NC312,0,GDB ChEMBL
61850,CC1CCC2C(O)C([NH+](C)C)CNC1(C)C2[NH3+],0,GDB ChEMBL
289251,CCCCC1CC2CCCC(C)CC1(C)C2C,0,GDB ChEMBL
249560,CCC1[NH2+]CC2C(C)OCC=CC12,0,GDB ChEMBL
279087,Cn1c(C#N)c(N)nc(NC=O)c1=O,1,GDB ChEMBL
362330,CCc1nc(O)cc(C#N)n1,1,GDB ChEMBL
301429,CC(O)C1NC(C#N)C1C(N)=[NH2+],0,GDB ChEMBL
238582,N#CCC1[NH+]=C(N)C(C=O)C1O,0,GDB ChEMBL
50921,N#CC1(N)C2C(O)CCC21C(=O)[O-],0,GDB ChEMBL
239366,N#CC1CN1C(=O)C([NH3+])CS(=O)(=O)[O-],1,GDB ChEMBL
274982,C[NH2+]C1C=CC2CS(=O)(=O)NC2C(=O)OC1,0,GDB ChEMBL
310758,CC1CC2CCOC(C)C(CC2)C1=O,0,GDB ChEMBL
240402,CCC1C(=O)NC2C1CC2(C)C[NH3+],0,GDB ChEMBL
45067,C[NH+](C)C1C2CCCC3CC(C)(C[NH2+]3)C21,0,GDB ChEMBL
109203,CC[NH2+]C1C=CC(C)(OC)C1,0,GDB ChEMBL
49166,[NH3+]CCOC1(CO)CC1[NH+]1CC2CC1CO2,0,GDB ChEMBL
348878,CCC(C)CC1(OC(N)=O)C(O)C1(C)[NH3+],0,GDB ChEMBL
222852,COC(C)(C)c1c(CC#N)n[nH]c1CC(N)=O,0,GDB ChEMBL
338850,CC1=CC2(C(N)=O)OC1CC2C,1,GDB ChEMBL
29458,C#CC(C)Oc1ccc2c(c1)[NH+]=CNCCO2,0,GDB ChEMBL
280824,C#CC(CC)C1([NH3+])CC1(O)C[NH+](C)CC,0,GDB ChEMBL
39795,C#CC1CC1c1c(C)ccc(C)c1C#CC,1,GDB ChEMBL
259523,CCCc1ccnc(Cl)c1Cl,1,GDB ChEMBL
73249,CC[NH2+]C1(C)CC=CC(C)(OC)C(=O)C1,0,GDB ChEMBL
222180,CC1CC2OC1(C)C(C)C2C(=O)[O-],0,GDB ChEMBL
228338,CC1(C(=O)[O-])CCC(O)(C[NH+]=C(N)N)CC1,0,GDB ChEMBL
117439,CCCC(O)CC(O)C(CO)[NH2+]C,1,GDB ChEMBL
60937,CC1CC=CC(C)(C)CO1,1,GDB ChEMBL
281149,CC1OC(C(=O)[O-])C2(OC(N)=O)C([NH3+])C12,0,GDB ChEMBL
274645,CC(C)CC(O)C1(C(=O)CO)COC1=N,0,GDB ChEMBL
77500,NS(=O)(=O)C1CC2OC(=O)C1CC([NH3+])C2O,0,GDB ChEMBL
374045,CCc1cc2ccc(C#N)cc2c(I)c1C,1,GDB ChEMBL
150495,CCCC[NH+](CC)C1C=CC(C)([NH3+])CC1,0,GDB ChEMBL
204629,CN(C=O)C1=NCCN(CC(O)CO)C(=[NH2+])C1,0,GDB ChEMBL
199469,CCC1CCC(C)(CC(F)(F)F)C(C)C1,1,GDB ChEMBL
104719,CCNc1csc(COS(N)(=O)=O)n1,1,GDB ChEMBL
277797,Cc1cc(-c2c(CCC[NH3+])ccnc2N)sn1,0,GDB ChEMBL
204341,CC(CC1=CCCC=CCC1)C[NH+]1CCC1,0,GDB ChEMBL
132869,CN(C)C(=[NH2+])NC(C)(CN)C[NH+]=C(N)N,0,GDB ChEMBL
54821,C#CC1COCC(C)[NH2+]CC1N,0,GDB ChEMBL
31374,COC(=O)C12CC=CCCCC13CC3[NH2+]C2,0,GDB ChEMBL
26604,CC12CCNC(=O)OCC1(C#N)NC2,0,GDB ChEMBL
189750,Cc1cc2nn(C)c(N)c2c(C)nc1=O,0,GDB ChEMBL
318549,CC(O)C1(C[NH3+])CN(CC[NH3+])C(=O)CO1,0,GDB ChEMBL
363168,CCC1COC2CCCC2C(C)(OC)C(O)C1,0,GDB ChEMBL
47992,CCCC1CCC12CCC2,1,GDB ChEMBL
5848,CC1=CC(C)(C)CCCOC1=O,1,GDB ChEMBL
274612,Fc1ccc2c3c1C1CC14C=CC(C2)C34,0,GDB ChEMBL
170408,NC1(C([NH3+])CC(=O)[O-])CC(O)C(CO)CC1[NH3+],0,GDB ChEMBL
361027,CCCOC(=O)C1=C(N)CS(=O)(=O)N1,0,GDB ChEMBL
79522,CNCC(C=O)[NH+]=C(N)CCS(=O)(=O)[O-],0,GDB ChEMBL
81061,CC(C(CO)CC(=O)[O-])C(C=O)n1cnnn1,0,GDB ChEMBL
17594,COCC12CN1C(=O)CC2=O,0,GDB ChEMBL
134760,CC1C=CC2C(C[NH3+])CC1C2C,0,GDB ChEMBL
343979,CCCCC1CC(=NO)C(C)(CC[NH2+]C)O1,0,GDB ChEMBL
305061,CCCC1[NH2+]CC2CC(C1=NO)C(C)(O)C2,0,GDB ChEMBL
310301,Cc1cc2c(C)[nH+]cn2c(Br)c1C#CCO,0,GDB ChEMBL
165259,C#CCCC(C)C(C)(C)Cc1ccsc1CC,0,GDB ChEMBL
391647,C#CC[NH2+]C1CC(=N)NC(=O)C(O)C1C,0,GDB ChEMBL
278871,CCC1CNC(=[NH2+])NC1CC1(C)CO1,0,GDB ChEMBL
5013,CCC(C=O)(CC(=O)[O-])C(C)(C)CC1CC1,0,GDB ChEMBL
204539,COC(=O)N1CC2NCC1CC=C2C,1,GDB ChEMBL
361131,CCC1(C)C2CC([NH3+])C1C(O)C2,0,GDB ChEMBL
182227,CC(C)C1CCC2CCCOC2(C)C1,1,GDB ChEMBL
281165,CN(C)C1c2ncccc2C(C#N)CC1C#N,0,GDB ChEMBL
26009,C#Cc1cc(OC)nc(N)c1N,1,GDB ChEMBL
76700,O=C1CC#CCOC2=NC(CC2)CN1,0,GDB ChEMBL
328901,CCC12CCCC1C(CCC(C)C)COCC2,0,GDB ChEMBL
116067,COC(=O)C(C[NH3+])NCC(N)=O,0,GDB ChEMBL
17484,CC1=[NH+]C(CC[NH3+])C(C#N)C(CO)N1,0,GDB ChEMBL
61816,CC(CO)NC(=N)C12CCC(C(=O)O1)C(C)O2,0,GDB ChEMBL
319345,C#CCC1([NH2+]CC)CC(OC)C1,0,GDB ChEMBL
51033,NC(=O)C1CC(C[NH3+])NS(=O)(=O)C1,0,GDB ChEMBL
104442,C#CC1CC(C)C(CC)C1CC(C)(C)C,0,GDB ChEMBL
245862,C[NH2+]CCC1CC(C)(CNC(N)=[NH2+])CC1(C)C,0,GDB ChEMBL
389496,[NH3+]CCC1C(C[NH3+])C1C(F)(F)F,0,GDB ChEMBL
28961,C=C1CC2(C)CC([NH3+])C1C[NH2+]C2C,0,GDB ChEMBL
98620,CC(C(C)(C)C)C1(CC2CC2)CCOCC1,0,GDB ChEMBL
11373,CC1=CC(C2COC2C(=O)[O-])C(O)C1,0,GDB ChEMBL
265553,CC1(C(N)=O)CC1CS(N)(=O)=O,1,GDB ChEMBL
305285,CC1=CCC(C2CC2)C2C=CCCC(C)C12,0,GDB ChEMBL
76682,COCCC(C)(C)CCC1C[NH+](C)C1(C)C,0,GDB ChEMBL
284821,CC12CCC3c4cccc(Cl)c4CC1C32,0,GDB ChEMBL
76058,C#CC1CN=C(c2cccc(Cl)c2C)N1,1,GDB ChEMBL
116363,NC(C[NH3+])C(NCC(=O)[O-])C(=O)[O-],1,GDB ChEMBL
82178,COC(=O)C1(C[NH3+])NS(=O)(=O)OCC1C,0,GDB ChEMBL
132998,CCCC(O)C1(O)C(=O)OC(CC#N)CC1O,0,GDB ChEMBL
347854,CC1(O)CCS(=O)(=O)CC12C[NH2+]C2,0,GDB ChEMBL
274406,C#CC(CC)C1OCCC1C,1,GDB ChEMBL
249409,COC1CC2C1C([NH3+])CN2S(C)(=O)=O,0,GDB ChEMBL
267896,C[NH2+]C1C(C2C[NH2+]CCN2)C1C(C)(C)O,0,GDB ChEMBL
140862,NC1=[NH+]C2CC3C(O)COC3C2CN1,0,GDB ChEMBL
299547,C#CC1CCCC(C(C)C)C1(C)CC,1,GDB ChEMBL
47706,CCC(O)CCC(C)c1ccccc1Cl,1,GDB ChEMBL
273658,CNC(=O)Nc1cnnn1CC1CC[NH+](C)C1,0,GDB ChEMBL
204412,C#CC(C#C)N1C(=O)NCC(C(C)[NH3+])C1C#N,0,GDB ChEMBL
34311,COC1CCC(C)C(CO)(CO)O1,0,GDB ChEMBL
291861,CCN1C(=O)c2c(C)ccc(C)c2C(=O)C1C,1,GDB ChEMBL
325242,CCCC(C)C1(C)CCC2C=CC1C2,0,GDB ChEMBL
22791,C[NH+]1CC2CC3OCC(O3)C1C2,0,GDB ChEMBL
244342,CCC(C#CC(C)CC(C)=O)COC,0,GDB ChEMBL
277783,Cc1cc(OC(C)(CO)CO)[nH]c1C(=O)[O-],0,GDB ChEMBL
30349,NC(N)=[NH+]CCN1C=NCC(=O)NC1=O,0,GDB ChEMBL
177036,CNc1nn(C)c([O-])c1S(N)(=O)=O,0,GDB ChEMBL
136025,N=C(N)C(=O)N1CCOC(=O)C2N=C1NC2=O,0,GDB ChEMBL
225351,CCCC1C=CCCC(CC)CC1C,0,GDB ChEMBL
201425,CC1(C)OC1CC1C=CCN1C(N)=O,1,GDB ChEMBL
247624,C[NH2+]C1CCC(C)C1(C)CO,0,GDB ChEMBL
358310,COc1ccc(C)c(F)c1C,1,GDB ChEMBL
350916,CCC1C(C)CCCC1CCC(C)(C)C,1,GDB ChEMBL
391466,CC1(C)C(C[NH3+])CC2C(O)CC1C2O,0,GDB ChEMBL
310108,Cc1[nH]nnc1COC(=O)NC(=O)CN,1,GDB ChEMBL
62839,CCC1OC(C)(C(F)(F)F)C1(C)C(=O)[O-],0,GDB ChEMBL
39914,CCc1cccc(CC[NH2+]C(C)(C)CC=O)c1,0,GDB ChEMBL
255365,O=C([O-])C12C[NH2+]C3C(C1)NCCC32,0,GDB ChEMBL
375528,CCC1[NH2+]CC2(C)OC(C(=O)[O-])C12N(C)C,0,GDB ChEMBL
60941,C[NH2+]CC(=O)N1CC(O)C2[NH2+]C(C)C21C,0,GDB ChEMBL
33236,COC1C2C(=O)OCC=CC(C(C)C[NH3+])C12,0,GDB ChEMBL
130841,C#CC1C(=C)CC(C)CCC1[NH2+]C,0,GDB ChEMBL
41046,COC1(CC(=O)[O-])CC=CC2[NH2+]C1C2C,0,GDB ChEMBL
40273,CCCOC(C)(CC1CCC(C)O1)C(F)(F)F,1,GDB ChEMBL
320743,C#CC(C)(C#CC)OCC(N)=[NH+]CC(=O)[O-],1,GDB ChEMBL
328819,NC(=O)n1nnc(N)cc1=O,0,GDB ChEMBL
296374,CCCC12CC(O)C(C1)OC2(CCO)COC,0,GDB ChEMBL
262530,CN1C(=O)OC2C([NH3+])CCC21CS(N)(=O)=O,0,GDB ChEMBL
44683,CCCN(c1ccsc1)C1(C#N)CCC1O,1,GDB ChEMBL
392543,C#CC(C)([NH3+])C1CC1c1cc(Br)cc(Br)c1,0,GDB ChEMBL
80203,CCC[NH2+]C1CC(C)C=CC1C,0,GDB ChEMBL
300511,COC1CCC2(COC2)C(=O)OC1,1,GDB ChEMBL
271367,N#CC(CO)NCCOC(N)=O,1,GDB ChEMBL
298054,CCc1ccc2c(c1)CC(C)(C)C2,1,GDB ChEMBL
334360,CC1(C)C2CC2OC1C(F)(F)F,1,GDB ChEMBL
111485,COCCC1(C#N)CCCCN1C,1,GDB ChEMBL
250644,Cc1cocncc2c(c1)CCC(C)(C)CC2,0,GDB ChEMBL
277570,CCC1CC2C(CC)C1(C)C(C)[NH+]2CC[NH2+]C,0,GDB ChEMBL
391587,CN1C(=O)C2C(O)C1C1NC(=[NH2+])CC12,0,GDB ChEMBL
366010,C[NH+]=C(N)C1CNC(C)C(=O)N1,0,GDB ChEMBL
236001,CC1NC(=O)NC(=O)C(O)C1([NH3+])CO,0,GDB ChEMBL
386183,CCCc1ccncsc(NCC)nc1,0,GDB ChEMBL
204450,CC12CCC1(CC(=O)[O-])CC2,1,GDB ChEMBL
76797,CN1CC(O)C(C)(CO)C1=[NH2+],0,GDB ChEMBL
12851,CC1=CCC(C)(C)[NH2+]C(C)CC(O)C1(C)C,0,GDB ChEMBL
258254,COC1CC(C)CC2(C)CC=CCC2C1,0,GDB ChEMBL
311027,CN(C(C=O)C1CNC(=[NH2+])N1)S(C)(=O)=O,0,GDB ChEMBL
64069,CC(=O)NCc1nc(O)no1,1,GDB ChEMBL
147251,NC(=O)C1C=C(C([NH3+])CC[NH3+])COCC1O,0,GDB ChEMBL
1067,Ic1cccc2c1C1CCCC2CC1,1,GDB ChEMBL
135448,COC1CC(C=O)(CCO)CC2(CCC2)C1,0,GDB ChEMBL
177037,NC(=O)C(O)C(NC=O)C1COC(=O)N1,1,GDB ChEMBL
210259,CCCC(C)(C)C#CCC[NH3+],0,GDB ChEMBL
390501,C1=CCC2=[NH+]C(CC1)CCCCN2C1CC1,0,GDB ChEMBL
236563,CC(=O)N1CCS(=O)(=O)C1=O,1,GDB ChEMBL
23543,C1=CCC(CCC2CCC2)CC=CC1,1,GDB ChEMBL
136697,COC(=O)C(C[NH3+])C1C2CC1S(=O)(=O)N2,0,GDB ChEMBL
263795,CC1(CO)N=C(N)OCC1(N)CNC(N)=O,0,GDB ChEMBL
386589,CCC1C[NH2+]C23C(C1)OCC2(C(N)=O)C3N,0,GDB ChEMBL
127026,CC(=O)NC(=N)c1cnc(O)cc1Br,1,GDB ChEMBL
316283,CC1C(CCC=O)NC(=O)C(OC(N)=O)C1O,0,GDB ChEMBL
333875,CC(=O)C(O)C(C#N)NCC(N)=O,1,GDB ChEMBL
24232,CC(=N)OCC(CNC(N)=O)OS(N)(=O)=O,1,GDB ChEMBL
299586,C#CCC1(OCCCCCO)CCC(C)C1C,1,GDB ChEMBL
317995,C[NH2+]CC(O)C(C#N)C(C)[NH3+],0,GDB ChEMBL
234937,COC(C(=O)[O-])C(C)[NH3+],1,GDB ChEMBL
193300,CCC(C)CN(C=O)c1cc(C)c(C)cc1N,1,GDB ChEMBL
378883,C#CC12CC(CO)C3CCN1C32C(=O)OC,0,GDB ChEMBL
258258,CC[NH2+]CC(C)NC1C[NH2+]CC1NC,0,GDB ChEMBL
287325,CCCC(=O)C(O)c1cnncc1OC,1,GDB ChEMBL
361652,C#CCc1c(O)c(F)cc(NC)c1CC,0,GDB ChEMBL
252293,CC1(O)CC2(C)C(C(N)=O)CCC2C1O,0,GDB ChEMBL
203894,Cc1ccc2c(c1C)C[NH2+]CC(C)(C)OCC2,0,GDB ChEMBL
305596,CC(CCC(=O)[O-])CS(=O)(=O)[C-](CO)C(N)=O,0,GDB ChEMBL
366723,C[NH+]1CC(OCCCC2CC2)C2CC21,0,GDB ChEMBL
26568,CC(c1ccc(Br)cc1)C1C2CC[NH+]1C2C,0,GDB ChEMBL
212574,COCC1[NH2+]CC(C)C1O,0,GDB ChEMBL
330025,COC1(C(C)([NH3+])CCO)CN(C)CCO1,0,GDB ChEMBL
284009,CC1C=CC[NH+](C)CC(C)C(O)CCC1,0,GDB ChEMBL
358506,CN(C)C(=O)C(=O)CC[NH+]1CCCC1,0,GDB ChEMBL
351426,CC=C1CC(C(=O)[O-])([NH+](C)CC)C1,0,GDB ChEMBL
217081,CC1=CC2CC(C(C)CC1)C(C)(C)C2,0,GDB ChEMBL
304650,COc1cc2ccc([O-])c(=O)n2c([O-])c1F,0,GDB ChEMBL
184241,CN1C(=O)[N-]C(C#N)C(=O)OC(CCO)C1=O,0,GDB ChEMBL
241143,COC(C(N)=O)C1C([NH3+])CC2(C)CC12CO,0,GDB ChEMBL
112103,Cn1nc(N)c2nc(CCO)nc(O)c21,1,GDB ChEMBL
115923,CC1CC2C3CCC(CC2(O)C1)[NH2+]C3,0,GDB ChEMBL
107018,N#CC1=CCC2CNC(COC2=O)C([NH3+])C1,0,GDB ChEMBL
380334,COc1[nH]nc2c(C)ccnc12,1,GDB ChEMBL
153718,CC(NC(N)=O)C1C(CO)N1C=O,0,GDB ChEMBL
36184,CC(C)(C)C1C(O)CCN1c1cocc1C=O,1,GDB ChEMBL
68495,Cc1ccc2c(c1C(C)C)CCC2(C)C,1,GDB ChEMBL
297034,Cc1cnn(CC(C)(C)C2CC2)c1C,1,GDB ChEMBL
29754,CCC[NH2+]CCOCC(C)c1cncc(Cl)c1,0,GDB ChEMBL
174245,N#CC1(CO)CNC(=[NH2+])NC1,0,GDB ChEMBL
281978,C#CC1C(OC)C2C(=O)CC(C)(C)C1CC2C,0,GDB ChEMBL
393556,C#Cc1ccc(Br)cc1CCCCC,1,GDB ChEMBL
38889,CCCC(C(C)CC)[NH+]1CC1,0,GDB ChEMBL
122963,C#CC1C2CCCC(C#N)C1C(C)O2,0,GDB ChEMBL
173183,CCOCCCC1CNS1(=O)=O,1,GDB ChEMBL
397089,N#Cc1cc(CC2OCCO2)[nH]c(=[NH2+])c1,0,GDB ChEMBL
318382,CC(CC#CC1CC1)CCC#N,1,GDB ChEMBL
66184,CN=C(OCCNC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
101064,CC1=CCCC2CC3(CCC3)CC2CC1O,0,GDB ChEMBL
46862,C#CCc1cncc(Cl)c1COC(=[NH2+])NCC,0,GDB ChEMBL
385455,CCC(C#N)N=c1nc(C)cccc1C(C)=O,0,GDB ChEMBL
221702,C#CC(C)C1C[NH2+]C(c2ncn(C)c2C)C1,0,GDB ChEMBL
39790,CCNC(=O)c1scnc(=N)c1NC(C)CC,0,GDB ChEMBL
121761,N=C1OCC(O)C(O)C1OC(=O)CN,0,GDB ChEMBL
107692,CC(C)CCOC1C=CC(C)(O)C1,1,GDB ChEMBL
103414,CCC1CC(OC)CCC2(CO)CC12CC,0,GDB ChEMBL
277928,C[NH2+]C1C(C)CCC1(C)C1C=CCC1C,0,GDB ChEMBL
290108,O=C([O-])C1C[NH2+]C2C=CS(=O)(=O)NC1C2O,0,GDB ChEMBL
40289,O=C1C=CNCCNC(=O)OCC1,0,GDB ChEMBL
274888,N#CC(CO)C1(O)CCC1OCCCC[NH3+],0,GDB ChEMBL
236574,CCC1(C)CC(OC)C(n2cccc2)CC1C,0,GDB ChEMBL
346995,CC1=CC(C#N)C(C)CCCC1C,0,GDB ChEMBL
383335,CC1CC(C)(C)[NH2+]C2CC(C(C)(C)C)OC12,0,GDB ChEMBL
81035,O=C([O-])C1CC1c1nncnc1[N+](=O)[O-],0,GDB ChEMBL
238528,CCCCC1CC(C)(C)CC(CC)CC1(C)C,0,GDB ChEMBL
47769,CC1CC(=O)C(O)C1C,1,GDB ChEMBL
200589,C#CCC1(C(=O)[O-])CC(C)CC=C1C,0,GDB ChEMBL
215409,CC(C)CC(O)CNC=[NH2+],0,GDB ChEMBL
240409,CCCC1=CCC2CCC[NH+](C2)C1C1CC1,0,GDB ChEMBL
133984,CC1C[NH+](C2CC2)C(C)C2C=CCC1C2C,0,GDB ChEMBL
61518,CCCC(O)C1(C)COCC=C(C)C1,0,GDB ChEMBL
337985,CC1C(C(O)CC(N)=O)C(O)CC1(C#N)C[NH3+],0,GDB ChEMBL
299561,CCC1CCCc2ccncc21,1,GDB ChEMBL
184930,CCCN1CC1CC(C)CC1C=CCCC1,0,GDB ChEMBL
124336,COC(C)(CO)C(C(N)C[NH3+])C(C)C(N)=O,0,GDB ChEMBL
3995,CC1CCC=CCC2=CC1OCC2,0,GDB ChEMBL
280769,CC(C)C1=CC(=[NH2+])N(CCS(N)(=O)=O)CC1,0,GDB ChEMBL
377299,CCCn1cc2c(c1)-c1cccc(C)c1C2,1,GDB ChEMBL
156109,[NH3+]C1C(O)C(C(=O)[O-])OC1C(O)C(=O)[O-],0,GDB ChEMBL
127191,CCC(C)C[NH2+]C1CCC2[NH2+]CC(C=O)C2C1,0,GDB ChEMBL
292918,COCCC1CN=C(NC(N)=O)C1[NH3+],0,GDB ChEMBL
265501,COC(CCO)CCC=O,1,GDB ChEMBL
288967,C#CC[NH2+]C(C)(CC)CC,0,GDB ChEMBL
157369,CCC1C(O)C2=CCCCOCC(C)[NH+]1C2,0,GDB ChEMBL
49107,CC1OC1C(=O)CCCCCCO,1,GDB ChEMBL
41302,CNC(C)C(=O)OCC(=[NH2+])NCCO,0,GDB ChEMBL
92308,Fc1ccc(CCC2CC=CCCC2)cc1,1,GDB ChEMBL
60958,Fc1ccc2c(c1)C=C1CCCC1C2,0,GDB ChEMBL
131653,CN1CC2(CC(C(O)C#N)CC(=O)O2)C1,0,GDB ChEMBL
309147,CCCCCCCC(OCCC)C(C)(C)CC,1,GDB ChEMBL
38209,CC1[NH2+]CC2CC3CCC(C)C(C)(C3)C2C1C,0,GDB ChEMBL
75447,C(#CC1CC[NH2+]1)c1ccco1,0,GDB ChEMBL
278255,CCNC(=O)c1nnsc1N,1,GDB ChEMBL
51014,[NH3+]C1C2NC(=O)OC(C(O)CO)C12,0,GDB ChEMBL
248602,COC(C[NH2+]C(C)C)C1C(C)C2(O)CN1C2,0,GDB ChEMBL
126652,CCC(C#N)C#CCCC(=O)CC(C)C,1,GDB ChEMBL
153354,CC(CCO)C1CC2(C)CC1(C)CC2C,0,GDB ChEMBL
104669,Cc1ccnc2c1C(C)[NH+]=C(N)COCC2=O,0,GDB ChEMBL
16519,CC(C)[NH2+]C(C)C12CC1C(CO)OC2C,0,GDB ChEMBL
347917,CCC12C=CC[NH2+]C(C1)C(CO)O2,0,GDB ChEMBL
25175,CCNc1csc(C(C#N)CCOC)c1C=O,1,GDB ChEMBL
304339,CC(O)C(N)C1CCN1C(N)=[NH2+],0,GDB ChEMBL
276147,NC1C(=O)NC2CCOC1(C([NH3+])CO)C2,0,GDB ChEMBL
275583,CC(C#N)NC(=O)c1nonc1N,1,GDB ChEMBL
40933,CC1COC(C(=O)[O-])C2C(C#N)N12,0,GDB ChEMBL
173678,CCCC1(C)[NH2+]C2C(C)C1C(C)C2OC,0,GDB ChEMBL
221397,CC(O)C1OCOC1C(F)(F)F,1,GDB ChEMBL
246933,CC1CC2C[NH+](C)C1CC2C1COC1,0,GDB ChEMBL
251400,N#CC(N)=NCCC1CCOC1=O,0,GDB ChEMBL
22612,OCC1CC(CCOC2CCC2)C1,1,GDB ChEMBL
252300,N#CC1(C(=O)NCC[NH3+])COC1=N,0,GDB ChEMBL
127513,CN=C1NC(=O)COC2COC(=O)C(N)C2O1,0,GDB ChEMBL
308686,CC1=CCc2cc(F)ccc2C(C)(C)CC1,1,GDB ChEMBL
34184,CCC(C)(C)Cc1nc(=O)c(OC)cn1C,0,GDB ChEMBL
120694,CCC(O)CC1=CC(CO)NC(=[NH2+])C1,0,GDB ChEMBL
259599,O=CCCC1CNC(=O)N1,1,GDB ChEMBL
24535,COC1C2CN3C1C3(CO)C2,0,GDB ChEMBL
398158,CCC(C)[NH+](CC)CC#CC1(C)CC1O,0,GDB ChEMBL
203212,CC(OCC(N)=O)C(C)C1(O)CC1(C)C,1,GDB ChEMBL
275620,Cc1cc(C2CC3(C)CCCC=C23)on1,0,GDB ChEMBL
5903,OCCC(O)C1C2C=CC1C1CC21,1,GDB ChEMBL
265313,CCC(O)C1CCC2CC21,1,GDB ChEMBL
202785,CCC1CC(C)(C)c2c1cc[nH+]c2NC,0,GDB ChEMBL
312191,CCc1c(C#CC2CC2)c[nH]c1C[NH3+],0,GDB ChEMBL
203432,CC1C(C)C1c1cc(F)c(F)c(F)c1F,1,GDB ChEMBL
6045,[NH3+]CC(O)(CO)C1CCC(=O)NC(=O)N1,0,GDB ChEMBL
395909,COCc1nc(C)c(N)c(CNCC=O)n1,0,GDB ChEMBL
305296,CC[NH2+]C1C(C)CC(CC)=CC(C)C1C,0,GDB ChEMBL
9967,CCC(CCCO)CCC1C[NH2+]CC(C)[NH2+]C1,0,GDB ChEMBL
279968,O=C([O-])C1[NH2+]C2C=CC3C2C13,0,GDB ChEMBL
36151,CC1(CC[NH+]2CC=CC2)C2CCCCC1C2,0,GDB ChEMBL
275637,Nc1ccc2c(c1)C1C3CC=C(C2)C31,0,GDB ChEMBL
84499,COC(CCC1(O)CC1)C(N)C[NH3+],0,GDB ChEMBL
136091,C#CCn1ccc(C)cc2c(cc1C)CCC2,0,GDB ChEMBL
124255,N#CCNC(=N)N(C=O)C=O,1,GDB ChEMBL
374335,CCCC1C2CCC1(C)C(C)(C[NH2+]C(C)C)C2,0,GDB ChEMBL
279248,NC(=[NH2+])C(C(N)=O)C(N)(C[NH3+])CO,0,GDB ChEMBL
32055,COC1CCC(C)CC2C([NH3+])C12,0,GDB ChEMBL
314942,CC1[NH2+]CC2(C)CC([NH3+])C(C)C12,0,GDB ChEMBL
191342,CCCC1C2C(C)OCC12C,0,GDB ChEMBL
375707,CCCCC1CC1C1C=CC(CC)OCC1,0,GDB ChEMBL
109490,CCc1cn(C(C)CC(=O)[O-])c(=O)c(=O)[nH]1,0,GDB ChEMBL
208391,CC(=O)C1C2COC(C)CN21,0,GDB ChEMBL
358456,CC1=C(CC(C[NH3+])CO)CCC1,0,GDB ChEMBL
110252,NC(=[NH2+])NCCC1=CNS(=O)(=O)CCC1O,0,GDB ChEMBL
157734,C=C1CC(CO)CC1C#CCOC,0,GDB ChEMBL
79313,N#CC1(NCCO)CC1CO,1,GDB ChEMBL
39686,C[NH+]1CC=C2CC(C)(C3CC23)C2CCCC21,0,GDB ChEMBL
88181,CC(C)(C)C1CC(CC2=CCCCC2)C1,1,GDB ChEMBL
347012,CCCN1CC(CO)CC(=O)C12CC2,1,GDB ChEMBL
186722,COC1CN2CC2C(C)(CO)C1O,0,GDB ChEMBL
125544,C#CC(CC(CC)OC)C(C#N)OC,1,GDB ChEMBL
59720,C[NH2+]C(C(N)=O)C(C)n1nnc(C[NH3+])n1,0,GDB ChEMBL
138405,CC([NH3+])C1CCOC(=O)OC12CCC[NH2+]CC2,0,GDB ChEMBL
379245,NC1=[NH+]C(CO)CC2(CC2)C[NH2+]CC1,0,GDB ChEMBL
296338,CCC1CC(C)C(C2CCCC(C)(C)C2)C1,0,GDB ChEMBL
271600,CC1[NH2+]CC(N)(C(F)(F)F)CCc2sccc21,0,GDB ChEMBL
157402,CC1(CO)[NH2+]CCCC2C1N2CCO,0,GDB ChEMBL
122671,C#CC1CC(C)(C)C2(C(N)=O)[NH2+]C1CC2OC,0,GDB ChEMBL
12718,CCC(C)CC1CCC(C)CC(C)=C(C)C1,0,GDB ChEMBL
262347,CCOC1C(NC(N)=[NH2+])COC1(C)CC,0,GDB ChEMBL
37619,CCCC1C2CCC=CC=C(C)CC12,0,GDB ChEMBL
170410,C#CC[NH+]1C2CC(C)(CC2CCC)C1C,0,GDB ChEMBL
173891,CC(CC(=O)[O-])C1OC1C([NH3+])CO,0,GDB ChEMBL
209723,Cc1c(O)cc(C2C[NH2+]C(CN)C2)c(Br)c1O,0,GDB ChEMBL
109591,CNC(C#N)C(C#N)C1CC(CC[NH3+])CN1C,0,GDB ChEMBL
204564,C[NH2+]CCC(CC[NH3+])(CC(N)=O)C(O)C[NH3+],0,GDB ChEMBL
112434,CC#CC[NH2+]CC(CC)NC1CN(C)C1,0,GDB ChEMBL
314924,NC(=O)C(OC1CC(CO)C2NC12)C(=O)[O-],0,GDB ChEMBL
182527,CC[NH+]1CCC2CC1(C)CO2,0,GDB ChEMBL
369846,CS(=O)(=O)C(CC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
290502,C[NH+]1CC(C2(C)COC(=O)CC(C[NH3+])N2)C1,0,GDB ChEMBL
243784,C#CC1CC(C(C)C)C(O)CC(C)(OCC)C1,0,GDB ChEMBL
190438,C1CCC2(CCCO2)C2(C1)CC2,1,GDB ChEMBL
6799,C=C1C2CC(C)C1C(CC[NH3+])C[NH2+]2,0,GDB ChEMBL
104633,CCC1CN2C(CC(=O)[O-])C12,0,GDB ChEMBL
308277,COC(CO)C(C)C(=O)CC=O,1,GDB ChEMBL
208333,CCC1OC(C)CC(C)C1(O)CC(C)[NH3+],0,GDB ChEMBL
85703,CC(COC(C)(C)C)C1CC1[NH3+],0,GDB ChEMBL
348588,COC(C)=Nc1ccncc1C[NH3+],0,GDB ChEMBL
115580,CCc1ccc2c(c1F)C1C3C(C)CC2C13,0,GDB ChEMBL
153285,C#CC(C)c1cc(I)c(C)c(C(F)(F)F)c1,1,GDB ChEMBL
395946,CC(OC(N)=O)C1NC(=N)C(O)C1O,0,GDB ChEMBL
279267,O=C1NC2CC3CC2S(=O)(=O)NC13,1,GDB ChEMBL
359077,CCC1CCC(C)=CC=CC(C)C(C)C1,1,GDB ChEMBL
245558,CNc1c(C(C)O)nc2c(c1F)CCC2,0,GDB ChEMBL
185335,Nc1cccc2c1C1=C(COC(C[NH3+])C1)C2,0,GDB ChEMBL
201696,CCC(C)C1C(C)=C(C)CC(OC)C1(C)C,0,GDB ChEMBL
267897,CCCC1=Cc2cc(C)ccc2C1(C)C,1,GDB ChEMBL
4871,COCC1COC1C(C)O,0,GDB ChEMBL
140345,CN(C)C1=[NH+]C(C)(C)C(CO)(CCC#N)N1,0,GDB ChEMBL
77243,CC1C2CCC[NH+](C2)C2C(CO)CC12,0,GDB ChEMBL
81047,N#CCC1CC2C=CC(CCO2)[NH2+]1,0,GDB ChEMBL
393560,CNC(=O)C(O)C1CC(C=O)[NH+]=CN1,0,GDB ChEMBL
383020,CC1[NH2+]C(CN)CC1CC1OC1C#N,0,GDB ChEMBL
189789,CNC(=O)C([NH3+])CC(O)S(=O)(=O)NC,0,GDB ChEMBL
47193,CCC1=CC2Cc3cc(C)cc(C)c3C1C2,0,GDB ChEMBL
84461,CCNc1c(N)noc1CCNCC#N,0,GDB ChEMBL
334376,CC=CC(CO)C1CCCOC1C,0,GDB ChEMBL
325750,CCC1C[NH2+]CCC2OC12,0,GDB ChEMBL
200540,CC1=CC(C)N2CCC1(C#N)OC(=O)C2,0,GDB ChEMBL
375555,CCC(CC)[NH+](C)C1C(O)C(C)C1CC[NH3+],0,GDB ChEMBL
334015,O=CN1C2CCC(CCC=CC13CC3)CC2,1,GDB ChEMBL
258303,CCCC(C)(C)CCc1cc(Cl)ccc1C,1,GDB ChEMBL
338320,C#CC1(C(C)C(=O)[O-])C([NH3+])C(=O)NC1(C)CO,0,GDB ChEMBL
273787,CC(C)n1c(C2CC2)nc2ccc(N)cc21,1,GDB ChEMBL
337796,CC(C)(O)CC1CC=CC[NH2+]CC2CC21,0,GDB ChEMBL
332691,O=CCNC1C(=O)[N-]S(=O)(=O)OCC1O,0,GDB ChEMBL
169479,CC(=O)NCC1CC2=CCCC21,0,GDB ChEMBL
317739,CC#CC(=NC(C)C)OC(C)CCCC,1,GDB ChEMBL
261214,CC(C[NH3+])[NH+]=C1NC2CC2N1,0,GDB ChEMBL
391797,CC1C=CCC(C)CCC(C)CC(C)C1,0,GDB ChEMBL
207912,CC(C(O)C(O)CO)N(C)C(=O)NC=O,1,GDB ChEMBL
250622,CC(=O)N1CC2(OC1=O)C(=N)OCC2O,0,GDB ChEMBL
218790,CC1(CC=O)CCC[NH2+]C1,0,GDB ChEMBL
47525,CCN1C(C)CCC(=O)CNCC2[NH2+]CCC21,0,GDB ChEMBL
16732,Cc1cnc(N)cccn2c(=O)cnn(C)c12,0,GDB ChEMBL
365998,C[NH2+]C1CC(C=O)S(=O)(=O)NC1C(C)CO,0,GDB ChEMBL
156094,C=CC1CC(C)=CC1CC(C)CC,0,GDB ChEMBL
104473,COCCN1C(C)C2([NH3+])C=CCC(C)(O)C12,0,GDB ChEMBL
317136,CCC1CC2CC(C)(C)C(C1)C2C,0,GDB ChEMBL
38210,CC1C[NH2+]C2C(N1)C2OC(N)=O,0,GDB ChEMBL
108677,COC1C2CC3(C)C(O)C2CC13,1,GDB ChEMBL
120820,[NH3+]C1C2C[NH2+]C(COC2)C1O,0,GDB ChEMBL
142355,CC1CCC[NH2+]CCc2cccc1c2,0,GDB ChEMBL
47213,O=C1NC2CS(=O)(=O)[C-]1C1OC1CC2O,0,GDB ChEMBL
280661,COCC(=O)C(CO)COC,1,GDB ChEMBL
323333,CCC[NH2+]CCCc1nc(NC)c(Br)nc1N,0,GDB ChEMBL
80455,CC(C)C1OC(C[NH3+])C2CC21,0,GDB ChEMBL
159687,CC1(O)C(C=O)CCC1C=O,1,GDB ChEMBL
354807,N#CCNC(=[NH2+])c1cnc[nH]1,0,GDB ChEMBL
204305,C#CC(C(=O)OC)C1CC1CCO,0,GDB ChEMBL
341918,CC([NH3+])C(=O)N1CCC1C(C)O,1,GDB ChEMBL
101012,CC#CC(C)c1cc(C)oc1C[NH2+]C,0,GDB ChEMBL
102319,CCN(Cc1cncn1C)C(=N)C(=O)C(=O)[O-],0,GDB ChEMBL
255426,CC(C)(c1nccc(C#N)n1)C(O)CCC#N,0,GDB ChEMBL
271862,NC(=O)C1NC2CC(O)C=CC(C2)C1=O,0,GDB ChEMBL
250676,CN1CC(C=O)=C(c2cnccc2Cl)C1,1,GDB ChEMBL
75471,CC1CC[NH+]=CN1CCOC(=O)C(N)CCO,0,GDB ChEMBL
199454,CC[NH2+]C1(CC)CC2CC(OC)CC2C1,0,GDB ChEMBL
127510,CCC([NH3+])CCC1(C#N)CN1,0,GDB ChEMBL
277069,CC1CC[NH2+]CC(C)C12CC2,0,GDB ChEMBL
134003,Nc1cc2c(o1)CC(CCO)CC[NH2+]CCC2,0,GDB ChEMBL
380327,N#CC1C[NH2+]CC1(N)C(=O)[O-],0,GDB ChEMBL
350696,C#CC(CCCC[NH2+]C)(OC=N)C(CC)OC,0,GDB ChEMBL
121134,CCCC1CC(C)C2C([NH3+])C[NH+](C(C)CC)C12,0,GDB ChEMBL
70961,O=C1CC2C(O)C(O)CC[NH2+]C1C2O,0,GDB ChEMBL
67605,COCC(O)(C(C)[NH3+])C1(C)CC1,1,GDB ChEMBL
75477,N#CC1C(CO)C1CO,1,GDB ChEMBL
99083,CC[NH+]1CC=C(COC(C)=NC2CC2)CC1,0,GDB ChEMBL
22481,CCCN(CCN)C(CC[NH3+])=[NH+]CC(C)(C)C,0,GDB ChEMBL
194288,COC(=O)C(N)CC1CCNC1C#N,1,GDB ChEMBL
351162,Cc1c(O)c(Cl)cc2occ(S(N)(=O)=O)c12,1,GDB ChEMBL
138362,CCCC1(CCC)C(CC)CCCC1(C)CC,0,GDB ChEMBL
288718,CC1(OCC(=O)[O-])CCNC(=O)C1[NH3+],0,GDB ChEMBL
84532,CCC1(C)C(=O)[N-]C(=O)C1(C#N)C#N,0,GDB ChEMBL
195317,CC(O)C1(C=O)CCCCC1,1,GDB ChEMBL
309781,CC1C2CC[NH2+]CC2C([NH3+])C1(C)O,0,GDB ChEMBL
346843,N#Cc1nc2cc([N+](=O)[O-])cn2cc1Cl,0,GDB ChEMBL
186046,CCCCC1(C)C(C)CC(C)C(C[NH2+]C)C1C,0,GDB ChEMBL
274039,NC1C(N)C1(N)C(=[NH2+])NCCC(=O)[O-],0,GDB ChEMBL
318146,CCC1C(=O)C(C)=CC(C2CCCC2)C1C,0,GDB ChEMBL
153277,C[NH2+]C1C(C)OC1C(C)C(=O)[O-],0,GDB ChEMBL
155805,CCC1C[NH2+]CC2CCCCC1O2,0,GDB ChEMBL
41153,C[NH2+]C1COCCC1C(N)=O,0,GDB ChEMBL
67630,CN1C(=N)CC(C(N)=[NH2+])C(N)C1=O,0,GDB ChEMBL
203098,N=C(N)Nc1nc2c(Cl)c(Cl)ccn2n1,1,GDB ChEMBL
277958,C#CCN(C=O)C(C)C1COC(C)C1C(C)[NH3+],0,GDB ChEMBL
188462,CCC1=C(C)CCCCC(CC)C1,1,GDB ChEMBL
4847,C[NH2+]CC(NC=O)C(C)[NH3+],0,GDB ChEMBL
132447,CCCOC1CC2CC1(CC)C2,1,GDB ChEMBL
394336,CCC(C)C1C=CCC1C1CCCOC1C,0,GDB ChEMBL
355381,O=CNc1cnccc1C=O,1,GDB ChEMBL
130593,COC1CC(C)[NH+](C2CC2)C(C)(C)C=C1C,0,GDB ChEMBL
215344,CC1CC2(C(O)CC#N)NCC(=O)NCC2O1,0,GDB ChEMBL
350698,CC1C([NH3+])C(O)C1(CS(N)(=O)=O)C(=O)[O-],0,GDB ChEMBL
47386,C#CCCC1OCC2[NH2+]CC(O)CC2C1(C)O,0,GDB ChEMBL
185263,CC(CCO)CCCO,1,GDB ChEMBL
287303,CCCCC1CC(C(C)(C)C)CCC1(C)CC,0,GDB ChEMBL
193240,CC1CCC2(CC2)CC1CCC1CCCC1,1,GDB ChEMBL
345773,COC(=O)C(NC(N)=[NH2+])C(=O)C(=O)CO,0,GDB ChEMBL
303356,[NH3+]C1C(=O)NCCC2C1C21CCOC1,0,GDB ChEMBL
64318,CCC1CC(C)C2CC(C[NH3+])C1(C)C2,0,GDB ChEMBL
147941,CC1CC2(C)C([NH+](C)C)C2(C)C1,0,GDB ChEMBL
87069,CC(CO)C1OC(=O)C2C1N2C(N)=O,0,GDB ChEMBL
29979,COC12CCCCC1[NH+]1CCCC2(C(C)O)C1,0,GDB ChEMBL
11408,CC(C)Cc1ccoc(=O)c1,1,GDB ChEMBL
377940,NC1C(=O)NCC1([NH3+])C1(C(=O)[O-])CO1,0,GDB ChEMBL
299187,CC1c2cc(Cl)ccc2C2CC12C#N,1,GDB ChEMBL
143156,CC(C)c1c(O)ncc(Br)c1N,1,GDB ChEMBL
366525,CC1CC(C([NH3+])C(=O)[O-])C2CC1(O)C[NH2+]2,0,GDB ChEMBL
146950,CCCCCNc1c[nH]nc1O,1,GDB ChEMBL
70183,NS(=O)(=O)OC1CC2[NH2+]CCC1C(O)C2O,0,GDB ChEMBL
371681,CC(=O)OC1(C[NH3+])C2OC1C(C(=O)[O-])C2[NH3+],0,GDB ChEMBL
198820,N#CCNCCC[NH+]1CC=CC1,1,GDB ChEMBL
193797,C=CCOCc1ocnc1CC[NH3+],0,GDB ChEMBL
388421,COCC1CC(C)CC2=CC=CC=CC2[NH2+]1,0,GDB ChEMBL
385457,CC1C2CC(O)(C(=O)[O-])C1OC2=O,0,GDB ChEMBL
219536,C#CC(C#N)NC1CC[NH2+]C1CCO,0,GDB ChEMBL
299172,CC(=O)C1CC=CCCC[NH+]1C(C)C,0,GDB ChEMBL
57267,CC1([NH3+])C(=O)NCC(=O)NC(=N)C1O,1,GDB ChEMBL
263994,CC1(C)CNC(=O)N(C2C[NH2+]CC(O)C2)C=N1,0,GDB ChEMBL
285583,Cc1cc(Cl)cc2c1C[NH+]1CC(C)C21C,0,GDB ChEMBL
205741,CCC(C)CC1(OC(C)C)CCCC1,1,GDB ChEMBL
83065,[NH3+]CC1(CO)CNC(=O)CN1,0,GDB ChEMBL
104644,C#CCCC(=O)CC(COC)[NH+](C)C(C)CC,0,GDB ChEMBL
258239,N#CCOC(=O)NCC(C#N)CO,1,GDB ChEMBL
16501,CC1(O)CCC(N)(C(=O)NC(=O)CN)C1[NH3+],0,GDB ChEMBL
175558,COC1OCC[NH2+]C(C)C1O,0,GDB ChEMBL
43963,C#CC1(C[NH2+]C)C(C)CC([NH3+])CC1C#N,0,GDB ChEMBL
316296,CC([NH3+])C1C(O)C1NC(=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
124863,CCC12CC1C(C1CCC[NH2+]1)C[NH+](C)C2C,0,GDB ChEMBL
277612,C#CC(C)[NH2+]C(C)(CCC)CC1(CC)CC1,0,GDB ChEMBL
239331,CCC12OC1C(O)C([NH3+])C2C#N,0,GDB ChEMBL
153233,CCc1ncn(CC(=O)C(N)=O)c1[NH+]=C(N)N,0,GDB ChEMBL
366070,Cn1cc(CC2OC(=O)CC2(C)C=O)cn1,0,GDB ChEMBL
324283,CCC1CC1N1CC(C)C[NH+]=C1N(C)CC,0,GDB ChEMBL
308152,C#CC(O)Cc1ccc(CC(C)C)c(Cl)c1C,1,GDB ChEMBL
134807,CCCC1C[NH2+]C(CO)C1(CO)OC,0,GDB ChEMBL
330938,CC#Cc1c(O)cc[nH]c1=NC1(C)CC1,1,GDB ChEMBL
165222,CCCC(C)C1C(C)C2C1C([NH3+])C[NH+]2C,0,GDB ChEMBL
336068,C[NH2+]C1CCC(C)NC(=[NH2+])OC1CNC(N)=[NH2+],0,GDB ChEMBL
375176,CC(=O)NC(CO)C1C=CCC(C)C=C1,0,GDB ChEMBL
157100,CCCC1[NH+](C)C(C(O)C[NH3+])C1(C)CC,0,GDB ChEMBL
62105,CC(CO)OC1C2C=CC(N)C1[NH2+]CCC2,0,GDB ChEMBL
388288,CN1C=C(C(C)(C)O)C(=O)NC(C)(C)CC1,1,GDB ChEMBL
107823,CC1CCCC2(C)CCC(CCC(C)C1)[NH2+]2,0,GDB ChEMBL
32015,CC12CC(CO)OC1C2([NH3+])CCC(N)=O,0,GDB ChEMBL
321954,Cc1nc2c(I)ccc(CCO)c2o1,1,GDB ChEMBL
165250,COCC(=N[O-])C(=O)C(=O)[O-],0,GDB ChEMBL
253581,COC(C[NH3+])c1cc(CC#N)c(Cl)cc1O,0,GDB ChEMBL
87033,N#CC1CCC2OCC([NH2+]C(C=O)CO)CC12,0,GDB ChEMBL
318361,Cn1cc(O)cc1CC(O)(C[NH3+])C(=O)[O-],1,GDB ChEMBL
234255,CS(=O)(=O)[N-]C(=O)C1C(O)CC1NC=O,0,GDB ChEMBL
163381,Cc1cc(C(C)C)n2c1OCC2,1,GDB ChEMBL
80211,CC(C)n1nc(CCO)nc1S(C)(=O)=O,1,GDB ChEMBL
661,NC(=[NH2+])COCCNc1ncc(O)c(C[NH3+])n1,0,GDB ChEMBL
87007,CCC=CCN(C(=N)CC)C(N)=O,1,GDB ChEMBL
281954,CCN(C)C(=[NH2+])CC(C)O,0,GDB ChEMBL
35693,COC(=O)C(=O)C1CCN1Cc1ccns1,0,GDB ChEMBL
271851,C#CC1CC(C)C2CCC[NH+]2CC1(C)C(C)C,0,GDB ChEMBL
45918,CC([NH3+])C1C2OC(CO)C(O)C21,0,GDB ChEMBL
137398,COC1C2CC([NH3+])CC3(C2)CC13,0,GDB ChEMBL
112901,C#Cc1c2c(c(O)c3c1C[NH+]=C3N)CCCC2,0,GDB ChEMBL
33301,C#CC[NH2+]CC1=CCCC(C(O)CC#N)C1,0,GDB ChEMBL
352168,C#CC(CCC[NH3+])(COC)C([NH3+])CC(N)C[NH3+],0,GDB ChEMBL
156723,CCOC1(C)CC(=NCC#N)N(S(C)(=O)=O)C1,0,GDB ChEMBL
342344,CC1C(NC(N)=O)C2NC(=O)OC2(C#N)C1O,0,GDB ChEMBL
45739,CC(CC#N)[NH2+]C1CC(O)C1,0,GDB ChEMBL
367778,CCC(O)C1(C)C[NH2+]CC(C)N1CC=O,0,GDB ChEMBL
297260,C=CCc1c(C(C)CC)coc1C,1,GDB ChEMBL
244480,Cc1c[nH]c(C(N)(C#N)CCNC(N)=[NH2+])c1,0,GDB ChEMBL
140827,C[NH+]1CCC(c2cc(N)ccc2F)CC1,1,GDB ChEMBL
385405,COC(N)=NC1C[NH2+]CC(CCO)OC1,0,GDB ChEMBL
303314,CC1(CCC(N)=O)CO1,1,GDB ChEMBL
243897,CS(=O)(=O)N1CC2([NH3+])CC(O)CC3=CCC1C32,0,GDB ChEMBL
358262,CC[NH+]=C1NCC(C=O)CC(C(C)C)C1OC,0,GDB ChEMBL
345797,CNC(=O)C1(C)CCN=C2OCC(C)([NH3+])C21,0,GDB ChEMBL
342397,CC12C=Cc3ccc(Cl)cc3C1CC1CC12,0,GDB ChEMBL
383324,CCC(C)CC1CC2C(C1)C1(C)CCC2(C)C1,0,GDB ChEMBL
180846,[NH3+]CCC1C=CCCC[NH2+]1,0,GDB ChEMBL
325267,C[NH2+]C1(C)CC([NH3+])CN(C)C1=O,0,GDB ChEMBL
277592,Brc1nccc2ccc3c(c12)OCCCC3,1,GDB ChEMBL
217074,CC1=CC2CCCCCC2(C)C2(COC2)C1,0,GDB ChEMBL
108687,CC(O)C(=O)C(C)CC1C=CCCC1,0,GDB ChEMBL
198837,C(#CC1CCC1)CCCC1CC1,1,GDB ChEMBL
140400,NC(=O)C1NCC(O)C2CC(NC=O)C1C2[NH3+],0,GDB ChEMBL
99653,C[NH2+]C(CO)C1C(O)CC2CC21[NH3+],0,GDB ChEMBL
95164,CCC1C(C)CC=CCC(C)C2CC12,0,GDB ChEMBL
240502,C=C(C)C(CC)CCC(C)CCC,1,GDB ChEMBL
221127,CC1C(C#N)CC(C)(CC(C)[NH+](C)C)C1CO,0,GDB ChEMBL
285068,CCCC1COCC1N1CC1C,1,GDB ChEMBL
115036,CCCC1=CCC2CC(CC2(C)C)C1O,0,GDB ChEMBL
148201,CCC1C(C(C)C)CCC(=O)CCC1(C)C,0,GDB ChEMBL
175847,CC(O)C(C(CO)NC=O)C1CC1C,0,GDB ChEMBL
371682,O=CN1C(=O)CCS(=O)(=O)CCOC1=O,1,GDB ChEMBL
385363,CCOCc1scc(CO)c1O,1,GDB ChEMBL
283418,CCc1cc2nncc(CC)c2c(I)n1,1,GDB ChEMBL
355323,CC1CC2C(C(N)=[NH2+])CC(C)(C#N)C2C(=O)N1,0,GDB ChEMBL
2385,CCC12CNC(=O)C(OC)C([NH3+])C1O2,0,GDB ChEMBL
384283,CC#CC(N1CC1)C1(C)CCCC1,1,GDB ChEMBL
69590,CC1CC(=O)NC=CC(O)C1=O,1,GDB ChEMBL
234487,CC1(C2CCCC2)CC=C(C(C#N)C[NH3+])C1,0,GDB ChEMBL
208542,O=C1COCCC1CO,1,GDB ChEMBL
177319,COc1c(C2CC2)cc(C(N)=O)nc1Br,1,GDB ChEMBL
396752,COC1OC(=O)C(C(O)C#N)C1C(=O)[O-],0,GDB ChEMBL
273399,CCCC1(CCC(C)(C)OC)C=CC(C)C1,0,GDB ChEMBL
343931,CC12CC(=O)NC1CCO2,0,GDB ChEMBL
371715,C#CCC1C2CCCC(CCC(C)[NH+]1C)C2C,0,GDB ChEMBL
127919,CN=CN1CCC(=O)C(C)C1=O,1,GDB ChEMBL
362351,CC1[NH2+]CC(C2OCCO2)C1O,0,GDB ChEMBL
202503,Cc1ncc2n(cnc(=[NH2+])[nH]1)CC(C(N)=O)N2,0,GDB ChEMBL
40048,NC(=O)CNc1cnn2ccnc2c1,1,GDB ChEMBL
204335,C#CCC1NC(=NC)NC1=O,0,GDB ChEMBL
346556,[NH3+]C1C(O)CC2C(=O)NC(=O)C21O,0,GDB ChEMBL
263276,CCC#Cc1cc(N)ccc1Cl,1,GDB ChEMBL
132239,CCNC(=O)OCc1ncc(C(N)=[NH2+])[n-]c1=O,0,GDB ChEMBL
173694,CC1COC(=O)CN(C)C(=[NH2+])NC(CN)=N1,0,GDB ChEMBL
36037,NC(=O)NC(=O)C(O)C1(C(=O)[O-])CN1,0,GDB ChEMBL
303352,C#CCS(=O)(=O)C=C(C#N)CC(=O)[O-],0,GDB ChEMBL
59709,COC(C)C1(CO)CC[NH+]1C,0,GDB ChEMBL
234214,CCOCC1C(=O)N2CC12,0,GDB ChEMBL
216544,CNS(=O)(=O)C1NC1C(=O)OC,0,GDB ChEMBL
263442,NC(=[NH2+])Nc1cc(CO)ccn1,0,GDB ChEMBL
136530,OC1C[NH+]2CCC(O)C2C1[N-]c1nn[nH]n1,0,GDB ChEMBL
112466,CCN1c2cc(C)cn2C(CC[NH3+])CC1C[NH3+],0,GDB ChEMBL
167329,CCC[NH+]1C(C)CC2NC2C1C(C)(C)O,0,GDB ChEMBL
40236,CC1CC2OC(C)C3CC(=O)CCC23C1,0,GDB ChEMBL
300531,C=CC1CCC=CC1C(C)CCC,0,GDB ChEMBL
244471,C=C(c1ccncn1)N(C)C(C)=O,1,GDB ChEMBL
33283,CC(C(=O)[O-])C1OCOC1(C)CO,0,GDB ChEMBL
285723,CCC(C)CC1COCC(C)(C(C)=O)N1,0,GDB ChEMBL
43552,CN(C=O)C(C(N)=O)C1(N)COC1,0,GDB ChEMBL
95542,CNC(=O)C1=CC(=O)OCC(C=O)C1O,0,GDB ChEMBL
208443,COC(=O)C(O)CCN1C(C)C1C,1,GDB ChEMBL
2089,Cc1ncn(C)c1N1CC([NH3+])C2CC2C1=O,0,GDB ChEMBL
195570,C=C1CCC([NH3+])C=C1C[NH+](C)CC,0,GDB ChEMBL
319795,CCOC1CC(CC(CC)CO)([NH2+]C)C1,0,GDB ChEMBL
171866,CC1OCCC2OC12C(=O)[O-],0,GDB ChEMBL
81775,O=CC1[NH2+]C2CCC1CC2,1,GDB ChEMBL
2339,C#CCC1CCOCC(O)CC([NH3+])C1C[NH2+]C,0,GDB ChEMBL
47989,CC1=CC2C=CCC1CCC[NH2+]2,0,GDB ChEMBL
395169,COCC(C)C1=CCC(C)CC1[NH3+],0,GDB ChEMBL
234222,COCCN=C(NC(C#N)CN)S(N)(=O)=O,0,GDB ChEMBL
132429,NC(=O)C1CC2(CO)CN1CCOCO2,0,GDB ChEMBL
310761,NC(=[NH2+])C1(O)C(=O)OC(C[NH3+])C1CCO,0,GDB ChEMBL
70329,CNc1ccoc1C1CCC(C)CC1,1,GDB ChEMBL
359116,CC(CCC([NH3+])CN)C(O)C(=O)[O-],0,GDB ChEMBL
104359,CC1=[NH+]C2CCCC2N(C(=O)CCO)C(=N)N1,0,GDB ChEMBL
140161,CC1(C(N)=[NH2+])C2C(CC(N)=O)OC(=O)C21O,0,GDB ChEMBL
133191,Nc1cc2c(c(NCCO)[nH+]1)C1CC2C1O,0,GDB ChEMBL
5209,CC(Cc1c(C)cccc1Cl)=NO,1,GDB ChEMBL
94712,CC12CC[NH+](CCNC1=O)CC1(CC1)N2,0,GDB ChEMBL
261230,CCC1CC2CCC(C)C3CCC(C)C(C1)C23,0,GDB ChEMBL
194227,CCOC(C)C(C=O)COCC(N)=O,1,GDB ChEMBL
130255,C[NH+]=C(N)OCCC1CC1C#N,0,GDB ChEMBL
66724,C[NH2+]CCS(=O)(=O)NC1COC1,1,GDB ChEMBL
282005,Cn1c(N)cc(O)c(NCC(N)=[NH2+])c1=O,0,GDB ChEMBL
44132,CC(O)CNc1cscn1,1,GDB ChEMBL
23530,OCCn1nnc(-c2ccoc2)n1,1,GDB ChEMBL
391814,O=C([O-])C1[NH2+]C2COC3C2CC13,0,GDB ChEMBL
174678,CCOC1C(C)C2CC(C)(C(C)C)C1(C)C2=O,0,GDB ChEMBL
363768,CCCC1(CC(C)C#N)CC1,1,GDB ChEMBL
225234,N#CC1C2CCC=CCCC1CCC2,1,GDB ChEMBL
342630,O=CNC1CNS(=O)(=O)C1C(=O)[O-],0,GDB ChEMBL
157377,C[NH2+]C(CCC(C)CO)(CC(N)=O)C(=O)[O-],0,GDB ChEMBL
153299,Cc1cnc(O)c(Cn2cccc2C[NH3+])c1F,0,GDB ChEMBL
278899,[NH3+]CCNc1cnnn1CCO,1,GDB ChEMBL
314103,CCC1CCC(C2C3CCC2C(C)(C)C3)CC1,0,GDB ChEMBL
200735,CC(O)C1CC[NH+]2C(C1)CC1CC12,0,GDB ChEMBL
85876,CCCC1CCCN(CC#N)CC1C,1,GDB ChEMBL
389592,FC(F)(F)C1COC2CN1C2,1,GDB ChEMBL
132678,CCOCCC(=N)NS(=O)(=O)OCCC[NH3+],1,GDB ChEMBL
380615,COC1C2CC(O)C1NCC[NH2+]2,0,GDB ChEMBL
202032,CCC1C(C)C2OCCCC3C2N3C1CO,0,GDB ChEMBL
96067,CC(=O)C1(C)CC2C=CC(C(=O)[O-])(O2)C1C,0,GDB ChEMBL
325709,Nc1ncc(C(=O)C(=O)NC=O)c(O)n1,1,GDB ChEMBL
334075,CC(=O)N(CC#N)CC1CC([NH3+])C2NC2C1,0,GDB ChEMBL
316316,CC1C(CO)[NH2+]C2CC21C(=O)[O-],0,GDB ChEMBL
78672,COC1CCC(C)=CC2(C1)OC(=O)C2C,0,GDB ChEMBL
366046,C[NH+]1CCC2c3cc(Cl)c(Cl)cc3CC21,0,GDB ChEMBL
280785,CCC1C(CC[NH3+])C1(C)[NH3+],0,GDB ChEMBL
344334,NC(=[NH2+])N1CCCCOCCC1,0,GDB ChEMBL
70872,C#CC1=C(CC[NH3+])C(=O)N(CC)C1,0,GDB ChEMBL
25988,C#CC(CO)CC(CS(N)(=O)=O)OC,0,GDB ChEMBL
344293,CCCc1cc(F)ncc1OCC(=O)[O-],1,GDB ChEMBL
316282,C[NH2+]C(CO)C(O)C1C(C)N1C,0,GDB ChEMBL
100713,CC(C)c1cccc2n[nH]cc12,1,GDB ChEMBL
233450,CC#Cc1ccc2c(c1)C=CC2C,1,GDB ChEMBL
49115,COCCC1CC1[NH2+]CCCc1cnn[nH]1,0,GDB ChEMBL
215448,CCCC1(C(C)CO)CC2C[NH+](C2)C1C,0,GDB ChEMBL
306258,CCC1COc2c(O)cc(Br)c(C[NH3+])c2C1,0,GDB ChEMBL
79253,C[NH2+]C(C)C1OC(=O)C2C([NH3+])C12O,0,GDB ChEMBL
106612,C=C(C)C1COCCC([NH2+]C)C1C,0,GDB ChEMBL
88167,CC#CC1(CO)NC(=O)NCC2CC21O,0,GDB ChEMBL
91215,CC1c2ccc(Br)cc2C([NH3+])CC(C)(C)C1C,0,GDB ChEMBL
125695,C#CC(C)(C)C[NH+](CC)C(C)c1ccccc1,0,GDB ChEMBL
190832,C=CC(C)C1CC([NH2+]C)C[NH+]=C1N,0,GDB ChEMBL
21452,CC(C#N)(Cn1ncnn1)NCC[NH3+],1,GDB ChEMBL
61862,NC(=O)C([NH3+])CNC(=O)C(O)C[NH3+],0,GDB ChEMBL
354447,CCC1C2CCC1(O)CCO2,1,GDB ChEMBL
195277,CC1CC2CCC2c2cc(Cl)c(Cl)cc21,1,GDB ChEMBL
271831,C=CCCC1=CCCC(C)C1(C)C,1,GDB ChEMBL
321958,CC1OC2CC2OC(C(=O)[O-])C1O,0,GDB ChEMBL
27799,O=C([O-])CC[NH2+]CC#CCO,1,GDB ChEMBL
89096,COC(=O)c1cnc(Br)cc1CO,1,GDB ChEMBL
245864,C[NH2+]C12CC(C)(CNC1=O)OC(=O)NCC2C,0,GDB ChEMBL
294431,O=C1NC2CC(C(=O)[O-])(O1)C(O)C2O,0,GDB ChEMBL
167339,CC#Cc1csc(CC(=O)NC)nc1=O,0,GDB ChEMBL
44597,CCCOC(=O)NC1COC1c1cscn1,0,GDB ChEMBL
203459,CC1(C)NC(=O)C2OCCC([NH3+])C(O)(CO)C21,0,GDB ChEMBL
222545,CC#CCCC(CC#CC)CC(C)(C)OC,0,GDB ChEMBL
314895,CC1C(C[NH3+])C=C2CCCOCC21,0,GDB ChEMBL
341332,C#CC(C)CCc1cc(=O)[nH]cc1F,1,GDB ChEMBL
63129,CCCCC1(C)CC(O)CCCC1[NH3+],0,GDB ChEMBL
251465,CCCC1CC=CC1CS(=O)(=O)C(C)C,0,GDB ChEMBL
130631,O=C([O-])COC1C(=O)C2CC1S(=O)(=O)N1CC21,0,GDB ChEMBL
305799,CC(C)(O)CCc1ncc(C=O)nn1,1,GDB ChEMBL
118493,CNC(=O)NC1COCC2CC1O2,1,GDB ChEMBL
1937,CC(=NO)C1CCCC(O)CCS(=O)(=O)N1,0,GDB ChEMBL
29470,Cc1conc1CC(=O)NC(=O)CN,1,GDB ChEMBL
127516,CC1CC2(CC[NH3+])C[NH+](C)CC(O2)C1O,0,GDB ChEMBL
310743,CC1=C(C)C2CC2c2c(ccc(F)c2C)C1,0,GDB ChEMBL
354379,CCCCC1CC(=O)C(=O)C1(C)CC,1,GDB ChEMBL
160038,C[NH2+]CC1NCC(O)C(C)CC1C=O,0,GDB ChEMBL
94660,CC(C)(C)NC(C(N)=[NH2+])C(O)C1COCO1,0,GDB ChEMBL
18849,CC1C(C[NH3+])CC2CC1[NH2+]C2(C)CCO,0,GDB ChEMBL
236017,CC([NH3+])(CC[NH2+]CCCC#N)COC(N)=[NH2+],0,GDB ChEMBL
173860,O=CNc1nsnc1OCC(=O)[O-],1,GDB ChEMBL
107669,CC1=CC(=O)CC2[NH2+]C(C1)CC2C,0,GDB ChEMBL
338587,CC1=CC(CCO)C(C)(C)CC(C)[NH2+]C1,0,GDB ChEMBL
394917,O=C1CC2C[NH2+]CC1CC2O,0,GDB ChEMBL
75423,CC1(N)C#CCC=CC[NH+](CC2CC2)C1,0,GDB ChEMBL
60630,CC1C(N)C(C#N)C1C(O)C(=O)NC(=N)N,0,GDB ChEMBL
5255,CCCC([NH3+])C(C[NH3+])C1CC1([NH3+])C(N)=O,0,GDB ChEMBL
384295,CCCCC1CC2C1CC(C)C2[NH2+]C,0,GDB ChEMBL
133184,CC1CCC(O)C2CC(C1)C2C1CCOC1,0,GDB ChEMBL
8682,CC(=O)N1CCCOC(=N)C1C,1,GDB ChEMBL
195307,C[NH2+]CCC12OC1CC(O)C2C,0,GDB ChEMBL
94710,COC(C)(C#N)CC(N)=O,1,GDB ChEMBL
305941,C=C1C2CC(O)C([NH2+]C)C1CC2C,0,GDB ChEMBL
280437,N#CCOc1nc(NC(=O)C[NH3+])nc(I)c1N,1,GDB ChEMBL
173986,O=c1nc([O-])ccc(O)n1,0,GDB ChEMBL
297020,COC(=O)C(C(O)CO)C(N)(C[NH3+])CO,0,GDB ChEMBL
22574,CCC1C=CC(C)(C)CC[NH2+]C(C)C1C,0,GDB ChEMBL
186611,CC1=CC=CCCCC(C)C(C)CC1,0,GDB ChEMBL
308166,CC(C)C1C2CC(N)C(C#N)N1CC2[NH+](C)C,0,GDB ChEMBL
124233,CC1(CC2CC2)CCC2(CCCC2)C1,1,GDB ChEMBL
195482,COCC1C(C)C=CC2=CC(=O)CC21,0,GDB ChEMBL
85041,Nc1nc(=O)ccncc(CO)cs1,0,GDB ChEMBL
361174,NC(=O)C(N)C(C[NH3+])C1CNC(=[NH2+])O1,0,GDB ChEMBL
294246,[NH3+]C(C(O)CO)C1CC[NH2+]C1,0,GDB ChEMBL
143146,Cc1[nH]nc(C[NH3+])c1C,0,GDB ChEMBL
255400,NC(=O)C(C[NH3+])NCS(=O)(=O)NC1CC1,0,GDB ChEMBL
342371,CCC1CC1C1=CCC(OC)CC1,1,GDB ChEMBL
121771,CC1=C(CO)C(=O)CCCCCN1,0,GDB ChEMBL
190826,N#CCC(=O)[c-]1oc(=O)[nH]c1=O,0,GDB ChEMBL
392528,CCCCC1CCC(CCO)OCC1(O)C[NH3+],0,GDB ChEMBL
193198,C#CCC(C)(C)COc1cc[nH+]c(N)c1,0,GDB ChEMBL
16480,CCC(C)(C[NH+]1CC2CCCCC1C2C)[NH2+]C,0,GDB ChEMBL
386662,CC1CC(O)(CC(C)(O)CC(N)=O)C(O)C1C,0,GDB ChEMBL
292314,CC1(OCC2NC(=O)CC2[NH3+])C(N)C1[NH3+],0,GDB ChEMBL
387225,[NH3+]CC(O)C1(O)CC12[N-]C(=O)NC2=O,0,GDB ChEMBL
305805,N#CC1(C#N)CC(CC(N)=O)C(=O)OCC1=O,0,GDB ChEMBL
235175,CC=C(CC)CCCC#CCCC,1,GDB ChEMBL
206828,NC(N)=[NH+]C1CNS(=O)(=O)CC1=O,0,GDB ChEMBL
118681,CCOC1C=CC(OC(=O)N2CC2)C1C#N,0,GDB ChEMBL
271320,[NH3+]C1CC(O)C(=O)OC2CNC(=O)OC2C1O,0,GDB ChEMBL
53693,CC(=O)OC1CC1C1C[NH+]=CN1C,0,GDB ChEMBL
271565,NC(=O)C(NCC(O)C(=O)CO)C(=O)[O-],0,GDB ChEMBL
311685,CC(C[NH3+])C1NC(=[NH2+])C(Cn2ccnn2)C1O,0,GDB ChEMBL
166394,C#CCc1c(C)c(Cl)cc(CCC)c1C,1,GDB ChEMBL
147439,COCCC(C=O)N1CC2OCC(CC1C)O2,1,GDB ChEMBL
325741,CC12CC=CC1(OCC(=O)[O-])C2C#N,0,GDB ChEMBL
342354,CC1(C[NH3+])C=CCCC1C#N,0,GDB ChEMBL
183501,CCC(C)(C)CC1CC(C(F)(F)F)N2CC12,0,GDB ChEMBL
244462,COC(=O)c1c(C)c(C)c(C)c(C[NH3+])c1O,0,GDB ChEMBL
334445,CC1C[NH+](C2CC2)C2C1C2(N)CO,0,GDB ChEMBL
172735,Cc1cnc2cncnc2c1,1,GDB ChEMBL
245848,CCCC1CC(C(C)(C)CC)CC(O)C1CC,0,GDB ChEMBL
177905,CC1(C)[NH2+]C(C(=O)[O-])C2C(N)=[NH+]CC(N)C21,0,GDB ChEMBL
98864,CCC1CCC2CC3(CC[NH+]1C3)C2,0,GDB ChEMBL
393518,C[NH+]=C1CC2CCC[NH+]2C2C(C)CCC2N1,0,GDB ChEMBL
205781,CCC(O)(CC(N)=O)c1csc(C)c1OC,1,GDB ChEMBL
376954,C=Cc1ccc(CCC)c(Br)c1Br,1,GDB ChEMBL
227776,[NH3+]CC1CNC(=O)C2(CC2)O1,0,GDB ChEMBL
44365,CC1CC2(C)C3C1CCC(=O)C3[NH+]1CCCC12,0,GDB ChEMBL
249472,CC([NH3+])C1C(=O)[N-]S(=O)(=O)CC(O)C1[NH3+],0,GDB ChEMBL
238020,Cc1cn(C(=O)NCCS(N)(=O)=O)[cH-]c1=O,0,GDB ChEMBL
95610,C#CCOc1cc(O)c(C)cc1N,1,GDB ChEMBL
358859,CCCCC1C(C)CCC(C)C1(C)C(C)CC,0,GDB ChEMBL
155835,CCCC1C2C1C1CC=CC2[NH+]1C,0,GDB ChEMBL
164708,C#CCCC(C)C1C[NH2+]1,0,GDB ChEMBL
225425,Cc1ccc(=O)cc(O)c1,1,GDB ChEMBL
183498,CCN(C=O)CC(N)(C[NH2+]C)CS(=O)(=O)[O-],0,GDB ChEMBL
5227,NC1=[NH+]C2CNC(=O)OC(CN1)C2O,0,GDB ChEMBL
340129,CCC(=O)C(C)C(C)Cc1cccc(C)c1C,1,GDB ChEMBL
330395,C#CC(C)(C)c1cc(Cl)c(CC(C)C)c(Cl)c1,1,GDB ChEMBL
385958,CCCC#CC1C=CCCCC1C,0,GDB ChEMBL
22587,CC#CC1C2C(=CCC2C)CC1[NH+](C)CC,0,GDB ChEMBL
141989,CN1CC2CC=CCC1C2=O,1,GDB ChEMBL
223498,COC1C2C3CCN(CC[NH2+]3)C12,0,GDB ChEMBL
171330,NC(=[NH2+])C1=NCCN1C1CCNC1=O,0,GDB ChEMBL
140288,CC([NH3+])C(O)C(C)NC(=O)CO,0,GDB ChEMBL
162499,CC(C)(C)C[NH2+]CCN(C=[NH2+])CC#N,0,GDB ChEMBL
99113,C[NH2+]C1(C2(O)CC2)C(=O)NCCC1CO,0,GDB ChEMBL
167296,C#CC1CC2COC(=O)C1CC=CCC2C,0,GDB ChEMBL
16502,CN=CN(C=O)C(C)C(CO)CC(N)=[NH2+],0,GDB ChEMBL
22845,CC(C#N)CNC(CO)c1cnc[nH]1,1,GDB ChEMBL
376021,CCc1cc(C)cc(CC2CC2CC)c1,1,GDB ChEMBL
217046,N=C(NC(=O)C(O)CO)OC1COCC(O)C1,1,GDB ChEMBL
358085,CN(CCO)C1C2NS(=O)(=O)C1C(O)CC2[NH3+],0,GDB ChEMBL
81082,CC1=C2CCCC[NH2+]C(C)C2CC1O,0,GDB ChEMBL
383707,CCOC1C2CC(=O)CC21C,0,GDB ChEMBL
156486,CCC([NH3+])CC1(C)CC2(CC2)CO1,0,GDB ChEMBL
264006,CCCC12CC([NH3+])C(CC1C([NH3+])C(O)CC)N2,0,GDB ChEMBL
161407,C[NH+]1CCCC(C)(C)N2CC(O)(CO)C2C1,0,GDB ChEMBL
112512,CCC(C)CC[NH+](C)C1CC1S(N)(=O)=O,0,GDB ChEMBL
109149,C#CCC1CC(C)Cc2ccc(I)cc2C1O,1,GDB ChEMBL
305149,CC1CC=C2CCC3CC[NH2+]CC23C1,0,GDB ChEMBL
228855,CCN1C(=[NH2+])CC(CCO)C1CC(N)=O,0,GDB ChEMBL
43516,CC1(C)C2CCCC1C2c1ccccc1F,1,GDB ChEMBL
4883,CCC(O)CC1(C)CCC2C[NH2+]CC2O1,0,GDB ChEMBL
284746,CC#CC[NH2+]CCC1CO1,0,GDB ChEMBL
174897,CC1C(C[NH3+])OC(=O)C2(C#N)C1N2C,0,GDB ChEMBL
340086,C#CC1(C(O)CCC)CC1,1,GDB ChEMBL
4919,N#CC1NCC1(C(N)=O)C(=O)[O-],0,GDB ChEMBL
300512,CCN(C)c1cc2oc(C#N)c([O-])c2cn1,0,GDB ChEMBL
47694,C#CC(C[NH2+]C)OCC#CC(C)(C)O,0,GDB ChEMBL
248620,CNC(=O)C1C(C[NH3+])OC2C([NH3+])C21,0,GDB ChEMBL
318004,CC1CC=C2CC3Cc4ccc(Cl)cc4C213,0,GDB ChEMBL
97780,CCOCC1COC(=O)C1,1,GDB ChEMBL
305970,CCC[NH2+]CC(CC)C1C2C=CC1C2CO,0,GDB ChEMBL
77742,C[NH2+]C(C)(C)CCC1CC1,0,GDB ChEMBL
109502,CC(O)(C(=[NH2+])NCC[NH3+])C(N)=O,0,GDB ChEMBL
375879,CN1CCNc2cc(ccc2I)NC(C=O)C1,1,GDB ChEMBL
393936,CCCC1=C(C)c2cccc(F)c2CC1,1,GDB ChEMBL
151171,CC1OC(=O)C2OCCC12,1,GDB ChEMBL
210771,CCCCCCC1(C)CCCC1C,1,GDB ChEMBL
299748,CC1CC2CC(C3CCCO3)(C(N)C[NH2+]2)N1C,0,GDB ChEMBL
234224,O=C1NC2(CO1)C(O)C=CC2O,0,GDB ChEMBL
379749,NC(C[NH3+])C1CCCC2CC2[NH2+]1,0,GDB ChEMBL
274892,C#CC(O)C(C#N)CCC,1,GDB ChEMBL
361675,CNC(=O)N(C)C(C)(C)C,1,GDB ChEMBL
274348,CCC1C[NH2+]C2C(C#N)C2C1,0,GDB ChEMBL
140114,C#CC[NH+]1CC23CC1C(CO2)C3O,0,GDB ChEMBL
371710,C=Cc1cc(Cl)c(C(C)OC)cn1,1,GDB ChEMBL
271479,CCCC1C(C)CC(C)C(C)C1C,1,GDB ChEMBL
299968,CCNc1c(C#N)cc(CC)c(F)c1N,1,GDB ChEMBL
307857,C=CCN1CC([NH2+]C(CC)CC)C1,0,GDB ChEMBL
153240,CCCCCC1CC2(C)CC(C)CC1C(C)C2,0,GDB ChEMBL
114797,C#CC1(COC)CC(OC)C(C)CN1C(N)=[NH2+],0,GDB ChEMBL
182477,CC(C(=O)[O-])n1nnnc1CCC(N)=[NH2+],0,GDB ChEMBL
156777,NC(=[NH2+])NC1C2CC(NC2=O)C1O,0,GDB ChEMBL
284823,CC1C2C[NH+](C1C)C2c1ccoc1,0,GDB ChEMBL
84983,N#Cc1cc(NCC2C[NH2+]C2)cc(Cl)n1,0,GDB ChEMBL
53716,CN1CC(=O)N2C(CCC=CS2(=O)=O)C1=O,0,GDB ChEMBL
136461,C#CC1C2CCC1([NH2+]C1CCCC[NH2+]C1)CC2,0,GDB ChEMBL
377753,CNC(=O)C(C)Cn1c(C)cc(=O)c(Br)c1N,1,GDB ChEMBL
170302,CN(CC([NH3+])CCc1nnn[n-]1)C(N)=[NH2+],0,GDB ChEMBL
296313,O=C1CNc2nc(O)cnc2N1,1,GDB ChEMBL
51874,CCc1ccc(C#CCC(C)(C)C)c(Cl)c1,1,GDB ChEMBL
365997,C#CC1(C)CCCCC[NH2+]1,0,GDB ChEMBL
152563,CCN1C(=O)C2CC1C(C)(OS(N)(=O)=O)O2,0,GDB ChEMBL
31405,[NH3+]C1C=CCC(CO)C1,1,GDB ChEMBL
29650,COCC1C2C3=C(CCC3)C1C1CC12,0,GDB ChEMBL
225884,CC(C)C1CN(C(C#N)C=O)C(=O)O1,1,GDB ChEMBL
289391,C#Cc1n[nH]cc1Cc1cnccc1F,1,GDB ChEMBL
119997,COC(=O)C(=O)N(CC[NH3+])C(N)=O,0,GDB ChEMBL
182098,CCCC(=O)N(C)C1=CCC(C)[NH2+]CCC1,0,GDB ChEMBL
262252,CC1=C(CC[NH+](C)C)CC(=O)CC(C)C1,0,GDB ChEMBL
384301,CCCC(O)C1C(C)C=CC2[NH2+]CC21,0,GDB ChEMBL
87062,CCCCC(C)C(NC(C)(C)C)=[NH+]C(C)(C)C,0,GDB ChEMBL
217038,CC(O)(C(=O)[O-])C(C#N)C(N)C#N,0,GDB ChEMBL
353550,N#CC1(N)C(C(N)=O)C(=O)NCC12CC2,1,GDB ChEMBL
180994,COC(C#N)CCc1ccc2c(c1)COC2,1,GDB ChEMBL
78599,C#CCC(C=O)(COC)OCC,1,GDB ChEMBL
338809,CC1([NH3+])C(C(=O)[O-])OCC1C([NH3+])CNC(N)=O,0,GDB ChEMBL
372103,NC(=O)CC1C=CCC1OS(N)(=O)=O,1,GDB ChEMBL
336064,COCC1([NH3+])CCC1N(C=O)C(=O)C(=O)[O-],0,GDB ChEMBL
215664,O=C([O-])C1C(O)C2OCC1N1CC21,0,GDB ChEMBL
89344,CCC(C)CC1CC1CC,1,GDB ChEMBL
118839,COCCC1NCC(=O)[N-]S1(=O)=O,0,GDB ChEMBL
355321,C#Cc1cc(N)c(O)c(CC(C)(C)CC)c1O,0,GDB ChEMBL
3940,CC[NH+]1CCC2C(CCC(C)(C)C)NC(=O)C21,0,GDB ChEMBL
318164,Cc1cn2c(cc(Br)c3c(CCO)csc32)n1,1,GDB ChEMBL
112844,CC#CC1CCc2c1cc(C)c(F)c2F,1,GDB ChEMBL
132700,Cc1[nH]c(=O)oc1N1C(=O)OCC1CC(N)=O,0,GDB ChEMBL
32045,CC1CC2CC=CCCC1(C#N)C1C[NH+]2C1,0,GDB ChEMBL
259670,CCC1C(C)CCC(C)C1(C)C(O)C[NH3+],0,GDB ChEMBL
240823,CCC(C1CC1)C1CC=CC1C,0,GDB ChEMBL
325881,C=CCC=CCC1C(CO)C1(C)C,1,GDB ChEMBL
136116,CC1=CCC(CO)CCC(C)=CC(C)=C1,0,GDB ChEMBL
230367,CCC1CC2(C)C(C)N2CCCC1O,0,GDB ChEMBL
221098,CCC1C2CCC(C3CCCC13C)C2(C)CC,0,GDB ChEMBL
17089,O=C1CC2OCCC23OC(=O)C3CN1,0,GDB ChEMBL
40288,CC=CC([NH2+]CCC)C(C)C(C)[NH3+],0,GDB ChEMBL
4977,COC(=O)C(=N[O-])C(=O)C(C(N)=O)C(C)C,0,GDB ChEMBL
190295,CC(OC=O)C12CCC[NH+](C)C1C2,0,GDB ChEMBL
105084,CCC1C=CC#Cc2ncc(F)cc2C=C1,0,GDB ChEMBL
367807,COCC1(C2CC2(C)C)C(O)C(C)C[NH+]1C,0,GDB ChEMBL
95565,CCCC1Cc2c(OC)cc3n2C1C3,0,GDB ChEMBL
285612,CC(=O)N1CC#CCC2([NH3+])CC2NC1=O,0,GDB ChEMBL
149928,C#CCC1=[NH+]CCCC([NH3+])CC(O)CCN1C,0,GDB ChEMBL
4946,O=C([O-])C1CC[NH2+]CCC2CC2O1,0,GDB ChEMBL
307496,CCc1cc(C=O)c(C(C)C)c(N)c1C(C)C,1,GDB ChEMBL
76962,CC(O)C(C)C1(C=O)CN2CC(=O)NC1C2,0,GDB ChEMBL
102304,C#CCCCC1CC1CC=C(C)C,1,GDB ChEMBL
379241,CCOC(=N)N(C)C(=O)OC,1,GDB ChEMBL
156517,C#CCC1CCC(C)(OC)CC1(C)NC(C)=O,0,GDB ChEMBL
98846,C#CCC(C)C1C=C(CC)CC1,1,GDB ChEMBL
151832,Cc1cc(C)c(C2CCCC2(C)O)c(F)c1C,1,GDB ChEMBL
258294,CCOC(C(N)=O)C1C(O)(COC)CS1(=O)=O,0,GDB ChEMBL
215829,Cc1nc(Cl)cc2c1COCC1(CCCC1)C2,1,GDB ChEMBL
6099,CC(C)CC12CCCC(C1)C(C)C2,1,GDB ChEMBL
13792,NC(=O)CC1OC2CCOC(CO)C([NH3+])C1C2,0,GDB ChEMBL
76363,CCc1cc(Br)nc(CCCCC(C)C)c1C,1,GDB ChEMBL
43507,CC(=O)N(C=O)C=O,1,GDB ChEMBL
99463,C#CC(C[NH2+]C)C(O)c1ccc(F)cc1,0,GDB ChEMBL
252877,CCCC(C)C(C)C1C=CC(C(F)(F)F)C1,0,GDB ChEMBL
249515,CC(C)CCNC(=O)Nc1ccc(=O)[nH]c1O,1,GDB ChEMBL
50867,CCCCCC1(C)[NH+]2CCC(C)C1([NH3+])CC2C,0,GDB ChEMBL
17618,N#CCC1CCNC(=O)NC(=O)[N-]S1(=O)=O,0,GDB ChEMBL
280628,O=[N+]([O-])c1c(CO)ncnc1CO,1,GDB ChEMBL
258321,CCC1(CO)CC(C(=O)[O-])C2NC21,0,GDB ChEMBL
48026,CC#CC(=O)NCC(C)C,1,GDB ChEMBL
229477,C#CCOc1c(OC(C)C)cc(Cl)c(Cl)c1Cl,1,GDB ChEMBL
11410,C#CCOCC1CC(CC(C)(C)OC)C1,1,GDB ChEMBL
369317,COC(=O)C1OC2CC(O)C([NH3+])C1C2,0,GDB ChEMBL
259108,C1CC2CC3C4CC(C4)C2[NH+]3C1,0,GDB ChEMBL
353967,[NH2+]=C1NC=CC(=O)OCCCN1,0,GDB ChEMBL
305071,CCC(C)C1C[NH+](C)C2CCC12,0,GDB ChEMBL
15583,CNC(=[NH2+])c1cc(OCCC(C)=O)coc1=O,0,GDB ChEMBL
387194,COC1C=CC(Cc2cc(N)sc2C)C1O,0,GDB ChEMBL
236743,CCC(=O)NC1C2CC(=O)C[NH+](C2)C1C,0,GDB ChEMBL
84218,CC(CO)(C(=O)[O-])C(O)C(O)CO,0,GDB ChEMBL
23981,C=CC1C(CC)CCCC(C)C1C,1,GDB ChEMBL
21572,CC=C1CC(O)C([NH2+]C)C1OCC,0,GDB ChEMBL
353943,N#CC(CO)NC(C(N)=O)C(O)CC[NH3+],0,GDB ChEMBL
201418,CC1=CCC(C)CC1(C)C#N,1,GDB ChEMBL
201403,C[NH2+]CCOCC(C)O,1,GDB ChEMBL
280873,CC1CC(O)COc2ncnc(c2Cl)N=CN1,0,GDB ChEMBL
90302,CCOCc1c[nH]c(C[NH2+]C2C=CCC2)c1,0,GDB ChEMBL
62774,CCC1CC2CCC3C=C(C)C([NH2+]C)C1[NH+]32,0,GDB ChEMBL
252061,CC12CN(C(N)=O)CC1C(C[NH3+])C(=O)N2,0,GDB ChEMBL
159743,CC1OC1C(CO)OCCO,1,GDB ChEMBL
45013,COC(=O)c1nsnc1N(C)C,1,GDB ChEMBL
120878,NC(=O)C1CC2(CC[NH2+]2)C(C(=O)[O-])N1,0,GDB ChEMBL
127757,C#CC#CC(CCCCC(C)C)C(C)O,0,GDB ChEMBL
283230,CC1([NH3+])COC2C=CC1C(C(=O)[O-])C2[NH3+],0,GDB ChEMBL
203327,CC1CC[NH2+]C(C)C23CCCC2C3C1,0,GDB ChEMBL
300712,NC(=O)CCc1c(F)cc(CO)sc1=O,0,GDB ChEMBL
300504,Cc1ccc(OCC(C)OC(C)C)c(Br)c1,1,GDB ChEMBL
245544,CCc1c(C#N)ccc(Br)c1CCC(C)(C)C,1,GDB ChEMBL
370372,CNc1cnc(=O)cc(C(C)(C)O)c1N,0,GDB ChEMBL
180997,NC(=O)n1cnc(CC[NH3+])c1N,0,GDB ChEMBL
190441,CC#CC(O)CCOC(C#N)CO,0,GDB ChEMBL
345517,CCC1=C(C)C(=O)OCC1,1,GDB ChEMBL
302423,C#CC1[NH2+]C(C)C(CC)C1C,0,GDB ChEMBL
33337,CC(C=O)C(=O)NC(=O)NC=NCCO,1,GDB ChEMBL
70954,CC#CC1C2CCC(C)=CC12CCCCC,0,GDB ChEMBL
29810,CC1COC(=N)C(=O)NC1C([NH3+])CO,0,GDB ChEMBL
177083,C#CC1C2CC(C(C)CC2[NH2+]CC)C1CCC,0,GDB ChEMBL
305113,CCC(O)C1CCOC(CO)CC2CCC1C2,0,GDB ChEMBL
292678,COC(=O)C1CC(CO)C1OS(N)(=O)=O,0,GDB ChEMBL
222143,Cc1cc2c(c(CO)c1I)CC(C)CC2,1,GDB ChEMBL
127523,CN1C2CNC(=O)CC(O)C(O)C21,0,GDB ChEMBL
71441,CN(C)c1ncn(CC(=O)[O-])c1O,1,GDB ChEMBL
309169,CCC(c1cc(C)c(C=O)o1)[NH+]1CCCCC1,0,GDB ChEMBL
308727,CCC(O)CC1CC(C)OCC1O,1,GDB ChEMBL
276267,C#CCC(OC)C1([NH3+])CC2CC[NH2+]CCC1C2,0,GDB ChEMBL
190239,CCCC1C(CCC)C2CC1C1CCCC12,0,GDB ChEMBL
129611,C#CCC1C2OC2C(CCC)C12CC2,0,GDB ChEMBL
368154,CCNc1c(NCC(C)C)ccc(C)cc1=[NH2+],0,GDB ChEMBL
271466,CNC(C#N)C1CCCN1C,1,GDB ChEMBL
334056,C#CC1CC(CC)CC[NH2+]CC(C(F)(F)F)C1,0,GDB ChEMBL
236737,N#CCCC(CCC(=O)[O-])OC(=O)C(N)C#N,1,GDB ChEMBL
182269,O=C(CCO)N1CCCC1,1,GDB ChEMBL
343211,CC1=CC(C)C(CC(C)C[NH3+])C=C1,0,GDB ChEMBL
345377,Cc1nc2c(CCC(C)(C)C)nn(C)c2s1,1,GDB ChEMBL
184225,CCC=CC(=O)Cc1cscc1C,1,GDB ChEMBL
173851,COC1CCc2sc(N)nc21,1,GDB ChEMBL
348851,C#CCCC(CC(C)C)C(C#C)[NH+](C)C,0,GDB ChEMBL
34727,C#CC(=CCN(C)C(C)=O)C(C)=O,1,GDB ChEMBL
31390,C#CCC(C)(C)N1C=[NH+]C(COC)C1,0,GDB ChEMBL
269343,COC1CC(=[NH2+])NC1CC(C=O)CO,0,GDB ChEMBL
376669,CN1C(C(O)C(N)=O)CC(=O)C(CO)C1(C)C,0,GDB ChEMBL
222802,C#CCC([NH3+])(CC#C)Cc1c(F)cncc1F,0,GDB ChEMBL
97740,NC(=O)CCCN=C(N)C(N)=O,0,GDB ChEMBL
244660,CC1C(=O)NC2C3CC([NH3+])CC2N13,0,GDB ChEMBL
156146,CC(=O)N(C)C1=CNC(=[NH2+])OCC1,0,GDB ChEMBL
206834,C[NH2+]Cc1cccc(C2CC(C)(C)[NH2+]C2C)c1,0,GDB ChEMBL
84979,CC(C)CCC(C)(C)C(C)(OC(C)C)C(C)[NH3+],0,GDB ChEMBL
315167,CC1C(=O)NCC(O)C2(C#N)C(C)N12,0,GDB ChEMBL
283286,CC[NH2+]CC(C)(CC[NH3+])NC,0,GDB ChEMBL
190461,CC(=O)OC(C)(CCC#CC#N)CC(N)=O,1,GDB ChEMBL
70046,CC(C#N)N(C(C#N)C(=O)[O-])S(C)(=O)=O,1,GDB ChEMBL
17626,CC(C[NH3+])N=COc1cc(O)cc(C#N)n1,0,GDB ChEMBL
288916,CN1Cc2ccc(F)c3ccc(O)c1c23,1,GDB ChEMBL
148383,CCC(O)CC1=CCCC=C(C)C(C)C1,0,GDB ChEMBL
295920,Cn1nccc1NCC(N)=[NH2+],0,GDB ChEMBL
157414,[NH3+]CC(O)C([NH3+])CCOCC(O)CO,0,GDB ChEMBL
222541,CC(CO)CC(C=O)CC(F)(F)F,1,GDB ChEMBL
190470,CCCC([NH3+])C1OC2CC(OC)C1O2,0,GDB ChEMBL
130842,CCCCC(CC)C1C=CC(C)C1C,0,GDB ChEMBL
307995,C#CCC(CN(CC#N)C(N)=[NH2+])[NH+]=C(N)N,0,GDB ChEMBL
203537,CC(=O)n1ncc(C)c1C#CC(C)(O)CO,1,GDB ChEMBL
114774,CNC(=O)CN(CC(=[NH2+])NCC#N)C(N)=[NH2+],0,GDB ChEMBL
75425,COC12CCC(C#N)(CC1O)C1CC12,0,GDB ChEMBL
287362,COCC(=O)N(C)C(C(N)=[NH2+])C(O)CO,0,GDB ChEMBL
353545,CC1C[NH2+]CCC2C=CC1CCC2,0,GDB ChEMBL
124311,CC1(CCC[NH2+]Cc2cn[nH]c2)C[NH2+]C1,0,GDB ChEMBL
200547,CC1(CC[NH3+])CC(=O)OC1C#N,0,GDB ChEMBL
351149,C#CCC(CCC(=O)NC)[NH+]=C(N)OC,0,GDB ChEMBL
97162,CC(O)C[NH2+]CC1CC=CC1C,0,GDB ChEMBL
233471,COC1C2OCC3C2C3C1C(N)=O,0,GDB ChEMBL
190415,C#Cc1c(F)ccc2c1C[NH2+]CC=CCC2,0,GDB ChEMBL
184233,CCC(OC)C1C=CC2(CC2)C1,1,GDB ChEMBL
318124,CC1C2CCC3CC[NH+](C)C(C3)C12,0,GDB ChEMBL
221099,CC1CC1(C)C1CC(C[NH3+])OC1=O,0,GDB ChEMBL
304341,CCc1n[nH]c2cncnc12,1,GDB ChEMBL
334624,NC1=[NH+]CC2C(CN1)C2[NH2+]CCC[NH3+],0,GDB ChEMBL
275550,CCN1CC(=O)N(CCO)C1=N,1,GDB ChEMBL
322966,CCNC(=O)NCC,1,GDB ChEMBL
394302,CC1(CO)C[NH2+]C2CC(C1)C(C)(C)C2,0,GDB ChEMBL
317715,CCN=CNC(=O)c1cc(N(C)C)no1,1,GDB ChEMBL
238025,CC1CCC(C)C(C[NH3+])C1[NH3+],0,GDB ChEMBL
150498,CCN1C=CC(NC(C#N)CO)CCC1=[NH2+],0,GDB ChEMBL
101502,CC1CC2[NH2+]C(C(O)C2CO)C2(CC2)C1,0,GDB ChEMBL
179446,COCC1(C(N)=O)C2C(CO)C=CC21C,0,GDB ChEMBL
169362,CNc1ncc(NC2CC([NH3+])C2)nn1,0,GDB ChEMBL
54082,CC(COS(N)(=O)=O)[NH2+]C1CC1CCC[NH3+],0,GDB ChEMBL
232091,CC1COCC(C(C)C)(C(C)O)CC(C=O)[NH2+]1,0,GDB ChEMBL
27768,CC(C)CC(O)C#CC1CC(C)C(C)C1,1,GDB ChEMBL
37184,O=C1CCC2CCC=CC1=CCCCCC2,1,GDB ChEMBL
115259,CCC1C(C)CC2C([NH2+]C3CCC3)COC12,0,GDB ChEMBL
146911,COC1C(C)CNS(=O)(=O)C(C)C1S(C)(=O)=O,0,GDB ChEMBL
29438,CCN1CC(=O)NC2=NC(C)(C)CC21,1,GDB ChEMBL
280794,C#CC1C(=O)N2C(=O)OCCN=C2OC1C,0,GDB ChEMBL
242661,C#CC(O)c1cnc(NCC)c2ccnn12,1,GDB ChEMBL
279977,C[NH+]1CCC2C[NH2+]CCC(O)(C1)C2=O,0,GDB ChEMBL
218784,COC(=O)C1C(C)C2[NH2+]CCC(C)(O)C21,0,GDB ChEMBL
177032,CC1(C)COC(=O)NCCS1(=O)=O,1,GDB ChEMBL
308123,O=C1OC2CC3CCC[NH2+]CC(=N3)OCC1C2,0,GDB ChEMBL
141924,NC(=O)OC(CO)C(O)C(O)C([NH3+])CO,0,GDB ChEMBL
112078,CC1CC2C(=O)NC(C2C)C1C(N)=O,0,GDB ChEMBL
85034,CCC1(C)CCC(C(C)CC(C)CC(C)C)C1,0,GDB ChEMBL
255111,CNc1cc(Br)c(CO)nc1N1CCCC1,1,GDB ChEMBL
162534,O=CN1CCOCC1CCC1OC(=O)[N-]C1=O,0,GDB ChEMBL
338924,CC1C2CCc3ccc(Br)cc3C1C2,0,GDB ChEMBL
331515,COCC12CC(C1)C1C[NH+]2CCC[NH2+]1,0,GDB ChEMBL
193326,N=C(N)NC(=O)CN=CNC(N)=[NH2+],0,GDB ChEMBL
127031,CC1CC(C2(O)CN(CCO)C2)C1,1,GDB ChEMBL
248215,N#CC12CCOC(CC1=O)C(C(N)=[NH2+])C2,0,GDB ChEMBL
124138,CC(C)NS(=O)(=O)c1cc([O-])cc(=O)[nH]1,0,GDB ChEMBL
21526,OCCNC1C[NH2+]CC12CC2,0,GDB ChEMBL
161381,CC#CC1(C)C=CCC1CC(N)=O,1,GDB ChEMBL
305953,CC(C)(O)C(O)C(N)C(=O)NC(=N)N,1,GDB ChEMBL
21579,CC1CC2C3C4CC2(CC13)C(=O)O4,0,GDB ChEMBL
26818,N#CC1CNCC(OC=O)COCC1C(=O)[O-],0,GDB ChEMBL
204147,CC(CCO)Nc1c(C#N)ncoc1=O,0,GDB ChEMBL
326442,CCc1ccc(F)cc1C1=C(C)COC1,0,GDB ChEMBL
305940,C[NH2+]CC1CC2(C)CC1(C)NC2=O,0,GDB ChEMBL
127898,C[NH+](C)CC12CN1C(=O)CCC2CC[NH3+],0,GDB ChEMBL
249857,NC(=O)C1N=C2NCC2C(O)C1O,0,GDB ChEMBL
84503,CC#CCCCc1cccc(Br)n1,1,GDB ChEMBL
270046,CCCC1C2CC(C)CC1C13CCCC21C3,0,GDB ChEMBL
1956,CCOC(C(N)=[NH2+])C(C#N)C(O)CC,0,GDB ChEMBL
76482,C#CC(N)C1NC(=O)CC1[NH2+]C,0,GDB ChEMBL
394264,CCCc1c(C)cccc1NC1(C)CC1,1,GDB ChEMBL
124106,CCN=C1C(O)Cc2c(O)ccc(O)c2N1C,0,GDB ChEMBL
177988,C#CC1(O)CCCC2CC1(C(F)(F)F)C2,0,GDB ChEMBL
101014,C[NH+]=C(N)CC1(OCC(=O)[O-])CC[NH2+]C1CN,0,GDB ChEMBL
112561,CC1=CC(=O)NCc2[nH]c(C#N)cc21,0,GDB ChEMBL
142010,CNC(N)=[NH+]C12CC(CN(C)C1=N)NC2=O,0,GDB ChEMBL
225341,Cc1nc(O)cc(C2(O)COC2)n1,1,GDB ChEMBL
334073,Cc1ncc(-c2nscc2NCCC(=O)[O-])o1,0,GDB ChEMBL
182251,COc1ncc(C)c(NCC[NH3+])n1,0,GDB ChEMBL
395144,[NH3+]C(CO)C12CC(CC(O)C1[NH3+])C(=O)N2,0,GDB ChEMBL
337983,NC(=O)CC1OC2(CS(=O)(=O)[O-])C[NH2+]C1C2O,0,GDB ChEMBL
391598,CC(C1=CCCC1)N(C=O)CCCCC=O,1,GDB ChEMBL
235554,CC(C)NC(=O)C1=CC(C)(O)CC1=NO,1,GDB ChEMBL
354747,CC#CCc1c(F)ccc(C[NH3+])c1F,1,GDB ChEMBL
4759,CC1(CO)OC1C1CC2CCCC1[NH2+]2,0,GDB ChEMBL
157690,CC(CC#N)C(=O)N1C=CC([NH3+])C1,0,GDB ChEMBL
115937,COCC1(C[NH3+])CC(O)C2[NH2+]CC1C2O,0,GDB ChEMBL
41305,N#CC(Cc1cncnn1)NC(=N)CO,1,GDB ChEMBL
392723,CCC(C)C1(CC(C)(C)[NH2+]C)CC1,0,GDB ChEMBL
155067,CC([NH3+])(CC(=O)[O-])C(O)C#N,1,GDB ChEMBL
305201,CCN=C(NC(=O)C(C)[NH3+])c1cnoc1N,0,GDB ChEMBL
202779,CCc1cc(Br)c(O)c2c1CCC21CC1,1,GDB ChEMBL
111528,N#C[C-]1N=C(N)OCC1=O,0,GDB ChEMBL
47997,CC1=CCC(CO)C(O)CC(=O)C=C(C)C1,0,GDB ChEMBL
128285,C#CC(=O)N(C)C1C[NH2+]C1(C)CC(O)CO,0,GDB ChEMBL
115427,C#CC(O)C1(C([NH3+])CC)CC(CCC)C(=O)O1,0,GDB ChEMBL
368508,C[NH2+]C(C)c1cc(Cl)c2c(c1)C1CC2C1,0,GDB ChEMBL
130459,CCCCc1ccc(Cl)c(=O)s1,0,GDB ChEMBL
79527,CC1C(O)C1C1(C(N)=O)CCOC1,0,GDB ChEMBL
120703,CC1([NH3+])CC2C(O)C1(C(N)=O)C2OCC[NH3+],0,GDB ChEMBL
320787,COCC(C([NH3+])C(=O)[O-])C(O)(CO)CCO,0,GDB ChEMBL
171350,CCC1C(C#N)[NH+]=C(N)C2COCC(=O)OC21,0,GDB ChEMBL
227501,CC(C)CC1C=CC(O)C(C)C2CC12,0,GDB ChEMBL
71713,CCNC1=[NH+]C(C)C2CC(CCN2C(N)=O)O1,0,GDB ChEMBL
138410,[NH3+]CCCCCC1=CC=CCC=CC1,0,GDB ChEMBL
168438,CC1OC(C[NH3+])C([NH3+])C(C)C1O,0,GDB ChEMBL
22836,C=C1CC(CC)(OC)C2CCCC12,1,GDB ChEMBL
184507,NC(=O)NCC([NH3+])C(O)C(O)C[NH3+],0,GDB ChEMBL
366750,NC1=[NH+]C2COC(=O)C(N)C(=O)NC1C(O)C2,0,GDB ChEMBL
17517,CC1OC2C[NH+](C2)C1(C(=O)[O-])C1CC1,0,GDB ChEMBL
174054,Cc1cnc(C2CCCC(=[NH2+])N(C)C2)cc1Br,0,GDB ChEMBL
340448,C#CC1C(C(C)CC)N1C1C[NH+](C)C1,0,GDB ChEMBL
194402,CCC12CCC(CC1)OC(=O)COC2,1,GDB ChEMBL
318090,CNC(=O)C12COC1(C)C2C,0,GDB ChEMBL
378138,CC(C)C(C#N)C(N)=O,1,GDB ChEMBL
351385,CC#Cc1cncc(C)c1CC1([NH3+])CC1,0,GDB ChEMBL
129841,CC[NH2+]C1C2CCC1C(C(=O)OC(C)C[NH3+])N2,0,GDB ChEMBL
49104,CC(C(=O)N(C(=N)N)C1C[NH2+]C1)S(N)(=O)=O,0,GDB ChEMBL
140857,CCC1CCOCC2CC12,1,GDB ChEMBL
139826,C[NH2+]CC1OCC1(CC(N)=O)N(C)C(N)=[NH2+],0,GDB ChEMBL
241145,C=C(NC(N)=[NH2+])C(C)(O)C(=O)NC,0,GDB ChEMBL
165659,N#CC12CCC(CC1)C2O,1,GDB ChEMBL
70937,CC#CC(C)(CC1C[NH+](C)CCC1C)[NH2+]C,0,GDB ChEMBL
345513,CCCCC1(C)C([NH3+])C1(C)CC(C)CCC,0,GDB ChEMBL
109175,C#Cc1cc(CC)cn1CC,1,GDB ChEMBL
215322,NC(=[NH2+])C1=NCCCOC(=O)N1,0,GDB ChEMBL
189874,COCC(C)([NH3+])C(C1CC1)C(O)C(=O)[O-],0,GDB ChEMBL
40226,CCN=CN(C(N)=O)C1COCC1=O,1,GDB ChEMBL
28182,CCC(C)C(C)(C)C1CCCCC1CC(C)C,0,GDB ChEMBL
70819,NC(=[NH2+])NC1C2NC(=O)NC(=O)C12N,0,GDB ChEMBL
295879,CCC(C[NH3+])Nc1nnn(C)n1,0,GDB ChEMBL
366949,CN(C=O)CC([NH3+])C1CN(C)C(=O)O1,0,GDB ChEMBL
317592,C[NH2+]C1CCOC12CC[NH2+]CC[NH+](C)C(C)C2,0,GDB ChEMBL
314105,C1=CCc2sccc2CC[NH+]2CCC(=C1)C2,0,GDB ChEMBL
92315,CCOC1OCC2[NH2+]CCOCCC21,0,GDB ChEMBL
156527,CN(CC(N)=O)c1nc(NCCO)n[nH]1,1,GDB ChEMBL
176474,C1#Cc2cccc(c2)C=CCCC=C1,1,GDB ChEMBL
193316,CCC1(CC[NH3+])C[NH+](C(C)C)C1,0,GDB ChEMBL
34327,COc1cc(C)c(C)c(C)c1C(C)CC(C)C,1,GDB ChEMBL
188528,C=CC1CC2CC(O)CCC12CC,0,GDB ChEMBL
228370,CCCCC1(C)CC(C(C)(C)C[NH3+])C1,0,GDB ChEMBL
255370,C#CC([NH2+]C)C1CC=CCC=C(C)C1,0,GDB ChEMBL
214375,NC(=O)Cc1n[nH]c2ccnc(CO)c12,1,GDB ChEMBL
395967,CCC(=O)CCCCC(C)CO,1,GDB ChEMBL
208317,NC(=O)Cc1cnc(C[NH3+])s1,0,GDB ChEMBL
252697,CC(C)CC12C=CN3C(=O)CCC3C1O2,0,GDB ChEMBL
255523,CC1CCC2C1N2C(=O)C(C)(O)CO,0,GDB ChEMBL
304279,CCC1[NH+](CC)CCC12C(C)C2C(C)C,0,GDB ChEMBL
95630,CS(=O)(=O)NC1C(CO)NC(=O)C1N,1,GDB ChEMBL
263233,C[NH2+]CC(CC(C#N)C(C)O)Nc1nn[nH]n1,0,GDB ChEMBL
328825,N=C(N)C(=O)CC[NH+]=C(N)N,0,GDB ChEMBL
16769,C=C(C)CCC(CC)CC(C)=CC,0,GDB ChEMBL
334033,CCC1([NH3+])C2C(C)[NH+](C)C(C)C21,0,GDB ChEMBL
111553,CC1CC2C(CCCO)CC3(C)CCCC1C23,0,GDB ChEMBL
363779,C[NH2+]CC(C)C1CCC2(C)C=C(C)CC12,0,GDB ChEMBL
248889,NC(=O)C1(O)C(CCS(N)(=O)=O)CN2CC21,0,GDB ChEMBL
263959,CCCCC=C(C)CC1=CC=CC1,1,GDB ChEMBL
306329,C#CC12CCC(CCCCC)CCC(CC1)C2,0,GDB ChEMBL
193314,CC1=CCC2(CC2)C[NH+](C)CC#CC1,0,GDB ChEMBL
372672,C#CC(C=CC)C1(C)CC[NH2+]CC1,0,GDB ChEMBL
304152,CC1=CCC2CC([NH3+])CC(O)(C[NH3+])C2CC1,0,GDB ChEMBL
235911,CCCC1(C)CC(C)(C)CCC1CC,1,GDB ChEMBL
301166,CCC1C=C(C)c2ccc(F)cc2O1,1,GDB ChEMBL
216526,CC(CC(=O)C(N)=O)C(O)CC1(O)CC1,1,GDB ChEMBL
328903,CS(=O)(=O)NCC1CNC(NCC#N)=[NH+]C1,0,GDB ChEMBL
307973,[NH3+]CC1=CC(=O)NCC=CC1CO,0,GDB ChEMBL
271607,NC1CC2(O)C(OC1=O)C2(O)CC(=O)[O-],0,GDB ChEMBL
387237,[NH3+]C1C2OC2C2CC2C1C(=O)[O-],0,GDB ChEMBL
288593,CCC1(C2=CCC3CCCOC23)CC1,0,GDB ChEMBL
130635,O=C1[N-]S(=O)(=O)CC2C(O)CCC12,0,GDB ChEMBL
126945,C[NH2+]C1(C)CC2OC(CO)C1C2C,0,GDB ChEMBL
271828,CCCc1c[nH]c(N)ncncc1C,0,GDB ChEMBL
303347,CC12CCC3CC1CCC32C,0,GDB ChEMBL
180862,CC1=CC2C(C)CC(C1)C1CCCC21C,0,GDB ChEMBL
270082,CN1CC(O)C(N)C2(C(N)=[NH2+])C(=O)OCC12C,0,GDB ChEMBL
281813,C#CC1CC2CC(C)[NH+](C)C(C1)C(C)O2,0,GDB ChEMBL
263500,CC1NC2(CCOC1=O)C(=O)CNCC2O,0,GDB ChEMBL
131922,C#Cc1cc(F)ccc1C1=C(C)COC1,0,GDB ChEMBL
196474,CCCC(C)(C)C1C(CC)CC(C)C1(C)CC,0,GDB ChEMBL
108714,CCOC(C)(CC)CC#N,1,GDB ChEMBL
356801,[NH3+]C1C(O)C1C1[NH2+]CCCOC1CO,0,GDB ChEMBL
156048,C[NH2+]CC1C(C)=CCC1[NH2+]C,0,GDB ChEMBL
309636,CC1CC(O)C2OC2C[NH+]1C,0,GDB ChEMBL
44644,CCC1C2CC=C(C)C2C(C)[NH+]1C,0,GDB ChEMBL
257433,CC12CCCOC3CC1CC3C2,0,GDB ChEMBL
219567,Cc1cc(C#CCC(F)(F)F)cnc1F,1,GDB ChEMBL
199065,C=C(C)CCc1cc(F)cc(F)c1,1,GDB ChEMBL
29675,CC1C2C(O)CCC23CC3[NH+]1C,0,GDB ChEMBL
244481,Nc1ccsc(OCCO)nc(N)nc1,0,GDB ChEMBL
392227,CN(CCc1ccn(CC[NH3+])n1)S(C)(=O)=O,0,GDB ChEMBL
128281,CC(=O)NC(=N)Cn1ccnn1,1,GDB ChEMBL
342330,COCCOC(=[NH2+])NC(C)CO,1,GDB ChEMBL
280989,CC(O)C(O)C([NH3+])C(C)(C)O,0,GDB ChEMBL
288589,OCCC1C[NH2+]C2CC3COC2C13,0,GDB ChEMBL
398917,CC1(c2ccc(F)cc2)CC2=C(CCC2)C1,1,GDB ChEMBL
235892,CC1(C#N)NC(=O)[N-]C2C(=O)CC1NC2=O,0,GDB ChEMBL
73281,CC1CC(O)C2C3C=CC(C3)C12,1,GDB ChEMBL
310329,C[NH2+]CC1CN(C)C(C=O)(CO)CO1,0,GDB ChEMBL
61546,CC1C(O)CC2(C#N)NC(N)=NC12,0,GDB ChEMBL
217044,C#Cc1c(CC)c(C)cc(I)c1CCC(C)C,1,GDB ChEMBL
168393,C[NH+]1CCCOCC2NC=[NH+]CCC2OCC1,0,GDB ChEMBL
98877,C#CCCCCC1(CC)C=CC(CC)C[NH2+]1,0,GDB ChEMBL
286117,CCC1C2CCC1(C)C1(C)CCCCC(C)C21,0,GDB ChEMBL
93131,N#Cc1cc2nc(Cl)c(CO)c(=O)n2nn1,0,GDB ChEMBL
115441,C#CC1(O)CCC(C)C1C#N,1,GDB ChEMBL
50275,CC(=O)C[NH+]1CC(C)C(C)C2CCCC2C1C,0,GDB ChEMBL
247579,CC=C(CCO)CCC(CC)[NH2+]C,0,GDB ChEMBL
20148,NC(=O)C1C2[NH2+]CCC(O)C21C=O,0,GDB ChEMBL
157392,CC#CC1CC(C)C(C[NH3+])C1,0,GDB ChEMBL
292522,C#CC1(S(C)(=O)=O)CC1C[NH2+]CC(O)CO,0,GDB ChEMBL
284329,NC(=O)NC1CCC(=O)C1OCCO,1,GDB ChEMBL
178046,CCCC1(C)C[NH+]2CCCC2C2CCCC1C2,0,GDB ChEMBL
207667,CCOC(=O)C(=O)Cn1cc(N)nn1,1,GDB ChEMBL
174230,CC(O)C12CCC(C(N)=O)[NH2+]C1C2,0,GDB ChEMBL
350914,COC(CO)c1ncsc1CC(C)=O,0,GDB ChEMBL
3996,CC(O)C(O)C1(C#N)NC(C(=O)[O-])CC1(C)O,0,GDB ChEMBL
221358,CCCC1(C)C(=O)OCC2NC(=[NH2+])CC2C1C,0,GDB ChEMBL
47526,C=CCOCC([NH3+])Cc1csnn1,0,GDB ChEMBL
33542,CC12CCC(O)(CC1[NH3+])C2c1ccccc1N,0,GDB ChEMBL
361154,C#CCC1=C(CCO)NC(=O)CCC1CC,0,GDB ChEMBL
160839,C[NH2+]CCC1(O)CC(N)C([NH3+])C1,0,GDB ChEMBL
336593,N#CCCC(=O)OC1(CCCO)CC(O)C1,1,GDB ChEMBL
195330,C#CC(=O)COCC(N)=[NH+]C(CC)CCC,0,GDB ChEMBL
174187,CC1(O)C([NH3+])Cn2c(=O)cc[c-]2C1C#N,0,GDB ChEMBL
310737,O=C1CCCC2C1C21COC1,0,GDB ChEMBL
80240,C[NH+]=C1NC(C(C)=O)C2(CC2)N1C(N)=[NH2+],0,GDB ChEMBL
163882,C#CC1(C(C)OC(C)(C)C)CC2CCC(C2)C1,0,GDB ChEMBL
70868,C#CCC(C([NH3+])CCO)C(C#N)CO,0,GDB ChEMBL
75075,[NH3+]CCC1=NCC(CO)O1,0,GDB ChEMBL
149925,CNC(=[NH2+])Nc1c(O)c(CCO)cn1C,0,GDB ChEMBL
304438,Cc1cc(CNc2n[nH]nnc2=N)ccc1O,1,GDB ChEMBL
132985,C[NH2+]C(C)C1CNC(C(C)C)C(=O)C[NH+]=C1N,0,GDB ChEMBL
263468,NC(=[NH2+])NC1CC(O)C2(CNC(=[NH2+])O2)C1O,0,GDB ChEMBL
342375,CCc1ccc(Cl)n2ccnc12,1,GDB ChEMBL
247620,C#CCC(CCC(C)C)COCCC(C)C,1,GDB ChEMBL
122948,C#CC1(C(C)C[NH+](C)C)CCCC[NH+](C)C1C,0,GDB ChEMBL
2971,CCCCC1=CCc2c(ccc(Cl)c2C)C1,1,GDB ChEMBL
17323,CC[NH+]1CCC(C)C2[NH2+]CC(O)CCC2C1,0,GDB ChEMBL
309635,CCCCCc1cnn[nH]1,1,GDB ChEMBL
26606,CNc1nccc(=O)nc1OC,0,GDB ChEMBL
201674,CCCC(C)C1C(C)[NH+](C)C1C(C)(C)O,0,GDB ChEMBL
47516,C#CC[NH+]1CCC(CCC(C)C)CC1(C)C#C,0,GDB ChEMBL
289400,Nc1ccc2c([nH+]1)CCN2,0,GDB ChEMBL
225016,[NH2+]=C1NCCCc2cc(on2)CN1,0,GDB ChEMBL
259568,O=C1CC2NC(=O)NCCC2CN1,0,GDB ChEMBL
301188,CCCC(=O)Nc1c[nH]cc1CC,1,GDB ChEMBL
157756,c1cc2c(cn1)C1([NH2+]C2)C2C3CCC(C3)C21,0,GDB ChEMBL
233476,CC([NH3+])C[NH2+]CC(c1ccc(F)nc1)C(C)C,0,GDB ChEMBL
305299,CCC#CC(CC)CC(C)(C)CC[NH+](C)C,0,GDB ChEMBL
54835,COC1CC2CC3C=CCCC3(C[NH3+])C2C1,0,GDB ChEMBL
208607,C#Cc1cc(C(C)C)c(O)cccsc1CC,0,GDB ChEMBL
230515,CCC(O)c1csc(N)n1,1,GDB ChEMBL
44110,COC12COC(C1)C(C#N)C([NH3+])C2,0,GDB ChEMBL
383682,CCC1([NH3+])CC(C)C(C)C(O)C1CCC[NH2+]C,0,GDB ChEMBL
147878,CCC1C(COC)=C(C)CC1C,0,GDB ChEMBL
285595,CC(C)(C1CCCC1)C1CC2=C(COC2)C1,0,GDB ChEMBL
323977,C#CC(C#CCCC(C)(C)CC(C)C)C[NH3+],0,GDB ChEMBL
204468,C=Cc1c[nH]c(O)c1NCCCC,1,GDB ChEMBL
62553,CC1(O)C(C#N)C1(C)O,1,GDB ChEMBL
5295,C#CCCCC(C)C1CC2CC(C)CC2C1,0,GDB ChEMBL
277581,CC[NH2+]C1C(=O)[N-]S(=O)(=O)C(C)C1O,0,GDB ChEMBL
228477,CC(=[NH2+])NCCNCC(N)=O,0,GDB ChEMBL
263429,CC#CC1[NH2+]CC(C[NH3+])C(C)(C)CC1C,0,GDB ChEMBL
366938,CS(=O)(=O)NC1C(CO)C1NC=O,0,GDB ChEMBL
160066,O=C1CCCCCC1,1,GDB ChEMBL
188078,C#CCC(C)(C)CC1(CC)CCCC1,1,GDB ChEMBL
379705,CC1=CCC(=O)NCC2(CCCC(O)C2)C1,0,GDB ChEMBL
26334,COCC[NH2+]C1C(O)CCC2C=CC1C2[NH3+],0,GDB ChEMBL
309674,C#CCCCc1c(Cl)cnc(C)c1C(F)(F)F,1,GDB ChEMBL
60960,C[NH2+]CC(=O)n1ccc(CC[NH3+])c1C(=O)OC,0,GDB ChEMBL
160978,Clc1ccccc1Cc1coc2c1C[NH2+]C2,0,GDB ChEMBL
143504,CC#CC(C)(C)CC(=O)CC,1,GDB ChEMBL
98535,CCOC1OC(=O)C=C1C,1,GDB ChEMBL
160049,CC(C#N)C1(C(N)=O)OC1C([NH3+])CO,0,GDB ChEMBL
60989,CC1=CCCCCC=C(C)CC1,0,GDB ChEMBL
21721,C=CC(COC(CO)C(C)[NH3+])OC,0,GDB ChEMBL
9866,COC1CCC2C[NH2+]CC3(C)CCC(C3)C21C,0,GDB ChEMBL
274603,CCC(CCC(C)C)C1C2CC(C)C1CC2C,0,GDB ChEMBL
338398,CNC(=O)C1(C#N)CNC(C(=O)[O-])C(=N)O1,0,GDB ChEMBL
208288,CC1CC2CNC(=O)C(C2)O1,0,GDB ChEMBL
318376,CCC1(C)CC2C(CC3CCCCCCC32)[NH2+]1,0,GDB ChEMBL
258333,CCC1C(C)=CC(CC[NH3+])[NH+]1C,0,GDB ChEMBL
379175,CCC1CC2C3C(C)CC(C23)[NH+](C(C)C)C1,0,GDB ChEMBL
126343,CCS(=O)(=O)CCc1nccc(I)c1N,1,GDB ChEMBL
297054,CCC1NC(=O)CC=C2C(C[NH3+])CC21,0,GDB ChEMBL
177233,CCC1CC2CCCC(C)(C)C2C1C,0,GDB ChEMBL
184231,CC1OCCC2C(O)CC3C1C[NH+]23,0,GDB ChEMBL
83008,CCOC1(C(C)(C)C)CCCCCC1(C)CC,0,GDB ChEMBL
330960,CCC1(C)C(C(O)CCCCCO)N1C,0,GDB ChEMBL
302431,CCC1CC2CC[NH2+]CC1C(C)(C)C2COC,0,GDB ChEMBL
252838,C#CC(=O)NC(=O)N1CC([NH3+])CC1=NC(C)C,0,GDB ChEMBL
115772,CC(C#N)C(=O)N(C)C1C(C)C1C,1,GDB ChEMBL
66720,[NH3+]C1CC2CCN(CC3CC3)C1C2,0,GDB ChEMBL
326488,CC1C(CCC(N)=O)CCCS1(=O)=O,0,GDB ChEMBL
335448,CCC1=CC(=O)CC(CO)C1,1,GDB ChEMBL
195554,CC1CC2C(N)C(O)C1[NH+]2C,0,GDB ChEMBL
34251,C[NH2+]C1C2C(CC(=O)[O-])C(C)C(C)C12C,0,GDB ChEMBL
348619,Cc1cc2c(cc1F)C1CC3C(C)C3C1N2,0,GDB ChEMBL
125582,CC1CCc2c(N)cc(Cl)cc21,1,GDB ChEMBL
83146,CCC(C)N1C=[NH+]C(CC(C)C(C)=O)C1CO,0,GDB ChEMBL
236009,COC(C)CC(C)C(O)C#N,1,GDB ChEMBL
391336,N#CC1C(O)C([NH3+])CC1n1cncc1CO,0,GDB ChEMBL
59582,CC(CC1[NH2+]C1C)C(=O)[O-],0,GDB ChEMBL
17287,CC1[NH2+]C2C(=O)[N-]S(=O)(=O)C3C1C23C[NH3+],0,GDB ChEMBL
45066,CN1C(=N)OC(CCO)C(C[NH3+])NC(=O)C1=O,0,GDB ChEMBL
334590,CNC(=O)C1OC(=O)C1NC,1,GDB ChEMBL
279131,CCC12CCCCCC1C2(C)C,0,GDB ChEMBL
259407,CCC1C=CC2CCOCC(C)[NH2+]CC1C2,0,GDB ChEMBL
34180,CCCCC1CC(C)CCCC(C)(CC)C1C,0,GDB ChEMBL
382099,CN(C=O)c1cccnc1C(N)=[NH2+],0,GDB ChEMBL
3031,C#CC(C)(O)C(=O)OCCC[NH+]=C(C)N,0,GDB ChEMBL
316474,CCC1(C(F)(F)F)CC(O)CC(CC[NH2+]C)C1,0,GDB ChEMBL
112428,CC[NH2+]CCNC1CC([NH3+])C2OC12,0,GDB ChEMBL
107064,C[NH2+]C1(C(=O)[O-])C2CC1C2,0,GDB ChEMBL
391472,CCC(C)C1[NH2+]CCC12OC2CO,0,GDB ChEMBL
92278,CCC12CC([NH3+])CCC1CC1(C)C(C)CCC12,0,GDB ChEMBL
216174,CC(C)(C)C#CC([NH3+])C1CNC(=O)C1,0,GDB ChEMBL
274829,C[NH2+]CC(=O)NCC(N)=[NH2+],0,GDB ChEMBL
285063,CC#Cc1c(C)c(F)cc2c1CCC21CC1,1,GDB ChEMBL
38768,Cc1cn2ccc(F)cc2c1OCC1CN1,1,GDB ChEMBL
215382,C#CC(O)C(OC(N)=O)C(=O)OC,1,GDB ChEMBL
242981,CCC(C)(C(=O)[O-])C(CC(C)O)C1C[NH2+]C1,0,GDB ChEMBL
184536,O=C1CC(O)(CC2CCOC(=O)O2)CN1,0,GDB ChEMBL
28968,CCNC(NCC(=O)NC(C)C)=[NH+]C,0,GDB ChEMBL
389400,C[NH2+]CC1NC(N)=[NH+]CC1N,0,GDB ChEMBL
378608,NC(=O)NC1C(C(O)CO)C1S(N)(=O)=O,0,GDB ChEMBL
77003,CC(C)C=CCC[NH+](C)CC(C)C,0,GDB ChEMBL
24487,CS(=O)(=O)CC(C=O)C(O)C#N,1,GDB ChEMBL
399006,C#CC1OC2CCCC(C)(C)C1C(OC)C2,0,GDB ChEMBL
34244,O=C([O-])C(Cn1ccnc1O)=NO,1,GDB ChEMBL
79391,N#CC(O)C1(CC(CC=O)C(N)=O)CC1,0,GDB ChEMBL
208267,CC1(C)COCC2c3c(Br)ccnc3CCN21,0,GDB ChEMBL
265237,CC1=C(CN2CC(=O)NC2=O)CC([NH3+])C1,0,GDB ChEMBL
206805,CCC12CC(C)CC1C2COC,0,GDB ChEMBL
138347,CC1CC2C=C(C(=O)[O-])CC(N2)C1=O,0,GDB ChEMBL
370369,CC(O)C1(O)C[NH2+]C(C(=O)[O-])C(C(N)=[NH2+])C1O,0,GDB ChEMBL
390107,CC#CCC1[NH2+]C(COCC)C2CC12C#N,0,GDB ChEMBL
308153,O=C([O-])C1CC(O)C2N(C(=O)CO)CC12O,0,GDB ChEMBL
288558,C#CCC1CC(C(C)(C)C)OC1CC,0,GDB ChEMBL
385617,C#CC1C(C=C)CCC1CCCC,1,GDB ChEMBL
118847,CC1C(C[NH3+])N1C(=O)OCC[NH3+],0,GDB ChEMBL
318498,C#CC(CCC(=O)[O-])C(C)C([NH3+])C(N)CO,0,GDB ChEMBL
260177,C#Cc1cc(=O)nccc1N,0,GDB ChEMBL
330332,CCCC1[NH+](CC)CCC12C(C)C2C,0,GDB ChEMBL
40016,CC(C)C1(C)C(C)c2cc(I)ccc2C[NH+]1C,0,GDB ChEMBL
20151,CC1CCCC1(C)Cc1ccncc1N,1,GDB ChEMBL
31101,CCNC(=[NH2+])C1(C)CCOCC1C(C)[NH3+],0,GDB ChEMBL
339117,CCC1C2CC[NH+]3CC4CCCC1(C)C4C23,0,GDB ChEMBL
244539,CCCc1cnc(C#N)c(CC)c1I,1,GDB ChEMBL
263986,COC(C)C1=C(C)C(CCC[NH3+])CC=CC1,0,GDB ChEMBL
16006,C#CC1CCC1(C#N)C[NH2+]CCO,0,GDB ChEMBL
81500,O=C1NCCC(O)c2cnoc21,1,GDB ChEMBL
58974,CC(C)C(=O)Oc1ccc(O)cc1NC(N)=O,1,GDB ChEMBL
199427,CC1CC2CC(C2)CC(O)C([NH3+])C(C)C1,0,GDB ChEMBL
103484,COC(=O)[N-]C(=O)C1NC1(C)C#N,0,GDB ChEMBL
2134,CC1CC(C(N)=O)C2C[NH+]12,0,GDB ChEMBL
53834,CNC(CNC(N)=[NH2+])C1OC1(C)C=O,0,GDB ChEMBL
115710,COC=Nc1cccc(CC(C)(C)O)c1F,1,GDB ChEMBL
352185,Cc1onc2c1CC(C#N)N2,1,GDB ChEMBL
310747,CCOC1COC(CO)C1n1nc(N)nc1C,0,GDB ChEMBL
182132,[NH3+]C(C=C1NC(=O)CNC1=O)CO,0,GDB ChEMBL
62069,CC1[NH+]=C(N)NCCC(=O)[C-]1C=O,0,GDB ChEMBL
26017,CCC(COC(C)C)NC(N)=O,1,GDB ChEMBL
334480,CC1(CC([NH3+])CO)CC(O)C(=O)N1,0,GDB ChEMBL
300910,[NH2+]=C1NC(C(=O)[O-])C([NH3+])CNC(=O)CO1,0,GDB ChEMBL
307982,CCCNC(N)=[NH+]C(C)C(C)C,0,GDB ChEMBL
6861,Cc1cnccc1C1CC2C[NH2+]C(C)C2(C)C1,0,GDB ChEMBL
170402,CC([NH3+])(CO)C1COC1(C)CCC(N)=O,0,GDB ChEMBL
200558,CC1(C([NH3+])CC(=O)OCCCO)CCC1,1,GDB ChEMBL
215269,N#CC(C#N)NC(C(=O)[O-])C(=O)NC=O,1,GDB ChEMBL
127240,Nc1nccc2c1NCC2=O,1,GDB ChEMBL
104593,C#CC(C#C)C1(O)CNC(=O)C([NH3+])C1O,0,GDB ChEMBL
273961,CC1=CC2CC3C(C)CC([NH+]3C)C(C)(C1)C2,0,GDB ChEMBL
85066,CC(=O)NC1CC(C)C2OCC12,0,GDB ChEMBL
391333,O=CC1CCC(CO)OC1,1,GDB ChEMBL
331177,CC12c3ncc(Cl)cc3CC1C2C(F)(F)F,0,GDB ChEMBL
257977,CC(C)NC1=CC(=O)OC1,1,GDB ChEMBL
324306,C#CCC1CC2CCC=C(C)CC(C1)C2,0,GDB ChEMBL
132282,NS(=O)(=O)c1ccc(CC[NH3+])c(I)n1,0,GDB ChEMBL
239096,CC(C)[NH2+]CC(C=O)c1ccncc(O)c1=O,0,GDB ChEMBL
305788,CCC1CC2(C)CC13CC2C[NH+]3C,0,GDB ChEMBL
81493,[NH3+]C1C(=O)NC2COC1C(CCO)C21CO1,0,GDB ChEMBL
377927,Cc1nn(C(C)C)c(N)c1N(C)CC(=O)C#N,1,GDB ChEMBL
289253,CC(C)([NH3+])CC1CC(=O)OCC12C[NH+]=CN2,0,GDB ChEMBL
203273,CCN1C(=O)[N-]S(=O)(=O)CC1C,0,GDB ChEMBL
201037,CC1C(O)C2C([NH3+])C2C1C(=O)[O-],0,GDB ChEMBL
316439,O=c1ccc(C2CC2)c[nH]1,1,GDB ChEMBL
223307,C[NH+]1CC2CC3OC2(C)C1C3O,0,GDB ChEMBL
47186,CC1(C)CCN2C(C(=O)[O-])C21,0,GDB ChEMBL
337816,CCC(O)C1=CCCOC1(C)C[NH3+],0,GDB ChEMBL
29820,N#CCC(=O)C[NH2+]CCC=CCO,0,GDB ChEMBL
160960,CCC1CC2CCC2(OC)C[NH2+]1,0,GDB ChEMBL
361010,C[NH+]=CN(C)CCC(C)O,0,GDB ChEMBL
22808,N#CCOCCC(O)(C(=O)[O-])C([NH3+])C(N)CO,0,GDB ChEMBL
53031,CCC[NH2+]CCNC1CCOC1C,1,GDB ChEMBL
81043,CCC1CC=CC[NH2+]C1C1CC1C#CCO,0,GDB ChEMBL
167340,CCC1(C(=O)C(=O)[O-])CNC(=[NH2+])N1,0,GDB ChEMBL
358098,N#CC1C2NC(=O)CC2NS1(=O)=O,0,GDB ChEMBL
247379,Cc1c(OCC(=O)[O-])nsc1N,1,GDB ChEMBL
228450,CCC12CC(COC(OC)C(O)C1O)C(=O)O2,0,GDB ChEMBL
45906,Cc1c(CC[NH3+])cc2c(C)c(Br)ccc2c1C,0,GDB ChEMBL
157096,C#CC1C[NH+](C)CC(CC)(C2CC2)C1,0,GDB ChEMBL
323330,CCC(C)C(CC(C)C[NH3+])CC(C)NC=[NH+]C,0,GDB ChEMBL
181644,CCc1ccc2cc(C)cc(C3CC3)c2c1,1,GDB ChEMBL
221374,N=C1CC(C(N)=O)N=CN1C1COC1,0,GDB ChEMBL
30306,Oc1cncc2c(I)cccc12,1,GDB ChEMBL
375190,CC1C[N-]C(=O)C(C#N)NC(N)=[NH+]1,0,GDB ChEMBL
161042,CC#CCC(O)COC1CCC1,1,GDB ChEMBL
46895,COc1cccnc(C[NH3+])ccnc1NC=O,0,GDB ChEMBL
10560,C#CCCCC(C)C1C[NH2+]1,0,GDB ChEMBL
238575,CC1CC2(O)CC3CC2C[NH2+]C13,0,GDB ChEMBL
296311,COC1(C)C2CNC(C)C1[NH2+]C2CCO,0,GDB ChEMBL
27968,CCC1(CC(C)(C)C)COCC#CCOC1,0,GDB ChEMBL
389489,OCC#Cc1nccn1C1CCC1,1,GDB ChEMBL
5354,CCC1CC(C)C2(C1)C1CCCC2C(C)C1C,0,GDB ChEMBL
32064,O=CC1COCC(=O)N2CC2C(O)C1,0,GDB ChEMBL
136131,NC(=O)c1cc(S(N)(=O)=O)oc1N,1,GDB ChEMBL
296319,COC(=O)C1CC2(CCO)C([NH3+])C2C1(C)[NH3+],0,GDB ChEMBL
376635,CC1CCCCC2(COC2)OC1,0,GDB ChEMBL
182300,CCC1OC2C(CC(=O)OC)C2C1O,0,GDB ChEMBL
194481,CCC1C[NH2+]CC([NH3+])C2CC12,0,GDB ChEMBL
367628,CCCC(C(O)C[NH2+]C)C1(C(C)=O)CN=CO1,0,GDB ChEMBL
333871,CCC([NH3+])C1OCC1(O)C[NH3+],0,GDB ChEMBL
383809,CC([NH3+])C1=C(C#N)CNCCC(O)C(=O)N1,0,GDB ChEMBL
33125,CC(CC#N)C1C(CN)[NH2+]CC1C(F)(F)F,0,GDB ChEMBL
379206,C=C(C)CC=C(C=O)CC[NH2+]CC,1,GDB ChEMBL
82161,N#CC1OCC(=O)C2CC1OCC(O)C[NH2+]2,0,GDB ChEMBL
284838,NC(=O)N(CCO)C1CC([NH3+])(C(=O)[O-])C1,0,GDB ChEMBL
386485,CCN(C=O)C(=O)c1c(O)ccc(C)c1N,1,GDB ChEMBL
299605,CC1=CCC(CCC(C)C)C#CCCC1,0,GDB ChEMBL
70100,C#CC1(C)CCCNC1=O,1,GDB ChEMBL
385978,CC1CCC2C(CO)[NH+]1CC21CN1C,0,GDB ChEMBL
24058,CC(=CCC([NH3+])C(=O)[O-])CC(N)=[NH2+],0,GDB ChEMBL
163878,Cn1c([O-])cc2c(c1=O)C[NH2+]CCO2,0,GDB ChEMBL
29804,CC1(O)CCCC(CO)C(O)C(C#N)CC1=O,0,GDB ChEMBL
153264,C#CCC1CCCC(CC(O)C#C)C1,1,GDB ChEMBL
50131,CCC1C(O)C1NCC[NH3+],0,GDB ChEMBL
346552,C[NH2+]C(C)(C(=O)[O-])C1(CC[NH3+])C(C)C1O,0,GDB ChEMBL
250669,CC(C(N)=O)=C1CCNC(C#N)C1,1,GDB ChEMBL
317329,C=C(C)CC1CC2CCCC(C2)C1,1,GDB ChEMBL
370368,CC1NC1(C[NH3+])C(=O)NC(=O)C(=O)[O-],0,GDB ChEMBL
62804,CS(=O)(=O)N1CC(C([NH3+])C(=O)[O-])C1=O,1,GDB ChEMBL
282195,CCC1(C)C(C)C2CC[NH2+]CCCC2(C)C1C,0,GDB ChEMBL
321847,[NH2+]=C1NC(C(O)C(=O)[O-])C(C(=O)[O-])O1,0,GDB ChEMBL
101470,CCC(Cc1nn(CC)c(=O)o1)NC(N)=[NH2+],0,GDB ChEMBL
211110,CCCCC1(O)CC(N)C([NH3+])CC1(C)C,0,GDB ChEMBL
125540,CCc1ccc2c(c1)CC1=C(C2)CC([NH3+])C1,0,GDB ChEMBL
389500,NC(C(=O)[O-])C1C([NH3+])C(O)C(O)C1[NH3+],0,GDB ChEMBL
386514,CCCOCC#CCCC1(C)CC(C)C1,0,GDB ChEMBL
176404,CCCC1(OC)C[NH2+]CC(C)C1C[NH+](C)C,0,GDB ChEMBL
372554,CCC(C)CC(C)C1C2CC=CCC21,0,GDB ChEMBL
273692,CC1OC12C[NH2+]CCC2(C[NH3+])C(=O)[O-],0,GDB ChEMBL
84838,C=CCN1CC1(C)CNC(=O)NC,0,GDB ChEMBL
71307,CNC1=[NH+]CCCCC(C)C(OC)O1,0,GDB ChEMBL
162942,CCCC1C=C(c2cccc(F)c2)CCC1,1,GDB ChEMBL
285071,CC1CCC(c2nc(F)c[nH]c2=O)CC1,1,GDB ChEMBL
26582,CCC([NH3+])C1(C)CC(O)C[NH2+]C(CN)C1CO,0,GDB ChEMBL
157741,C#CC12C[NH+](CCC(C)N1)CC2(N)CO,0,GDB ChEMBL
361194,CC1CC(C#N)C2C=CCC12,1,GDB ChEMBL
107812,CC[NH2+]C1CCCC2(C)C(=O)CC1CCN2C,0,GDB ChEMBL
366518,CC(C[NH3+])C1(C)CC2CNC(=O)C(C)(C1)C2O,0,GDB ChEMBL
120377,CCCc1c(F)cc(=O)oc1C[NH3+],0,GDB ChEMBL
246964,CC1CC(O)CC2C1CCCC2C(C)(C)C#N,0,GDB ChEMBL
26978,CCC(OC1(C=O)CNC1C#N)C(F)(F)F,0,GDB ChEMBL
309777,CNc1ccn(C)c(C)cc(O)cc1C,0,GDB ChEMBL
160003,CCC1CC=CCN(C)CC(=N)NC1=O,1,GDB ChEMBL
383933,CCOCC1C2C=CC1C2CC,0,GDB ChEMBL
332695,CC[NH+]1C(C)COC(=N)CC1C,0,GDB ChEMBL
204149,CC1(C)CC(O)C(=O)CCC(CO)C1C(N)=[NH2+],0,GDB ChEMBL
12726,CCCC#CC(N)C(C)[NH+](CC)CC,0,GDB ChEMBL
47402,CCCCC1(CC)C2CC(CC)(CC)CC21,0,GDB ChEMBL
66667,O=C1NC2CC2C2C[NH2+]C(CO)C12,0,GDB ChEMBL
268156,C=CCCC1=[NH+]C(C#N)C(O)CN1,0,GDB ChEMBL
202826,CC([NH3+])C1CC2([NH3+])CC1N(C)C2,0,GDB ChEMBL
293817,C#CCCCC(C)[NH+](C)CC(=O)C(C)CCC,0,GDB ChEMBL
366901,C#Cc1n[nH]c(=N)cc1C[NH2+]CCO,0,GDB ChEMBL
298964,CC1=C(C#N)CC[NH+](C)CC1,0,GDB ChEMBL
28241,CC(O)C(N)C(C(N)=[NH2+])C(OC=O)C(O)CO,0,GDB ChEMBL
248677,C[NH2+]C1(C(=O)[O-])CC1NS(C)(=O)=O,0,GDB ChEMBL
346507,C[NH+]=C(c1ccsc1)N1C=CC(C(=O)[O-])C1,0,GDB ChEMBL
376047,CNC(=[NH2+])Cc1cc(I)c([O-])c(I)c1,1,GDB ChEMBL
23492,C1=CC2CC2C[NH+](C2CC2)C1,0,GDB ChEMBL
286162,CCC1CCC(C)(CCc2ccccc2F)C1,1,GDB ChEMBL
119895,CCC1CC(CO)(CO)CCN2CC2C1[NH3+],0,GDB ChEMBL
170393,CC1OCC2(CC(O)C(C[NH3+])C2)C1O,0,GDB ChEMBL
45093,CCC(C)(C)C1CC(C)C=CC=CCC1C,0,GDB ChEMBL
165625,NC(=O)c1nnn2c1CCC(=O)C(NC=O)C2,0,GDB ChEMBL
255486,CCC(NC(=O)C(C)OC)C1CC1[NH3+],0,GDB ChEMBL
4740,NC(=O)NC1CNC(=O)C2(C1)OC2C[NH3+],0,GDB ChEMBL
156130,COC1CC2C(=O)C1C(C)C(C)(C)C2O,0,GDB ChEMBL
333115,CCCCCCC(CC)c1cc(C)cn1C=O,1,GDB ChEMBL
304260,CN(C)CC(=O)c1sc(NC(N)=O)nc1N,1,GDB ChEMBL
209469,CCCN(CC(N)C#N)c1cc[nH]c(=N)c1F,1,GDB ChEMBL
195483,C[NH+](C)C1CC[NH+]2C(C1)CC1CC12C,0,GDB ChEMBL
393549,C#Cc1cc(CC(C)(C)C)c(CC)cc1I,1,GDB ChEMBL
184933,CC1CC2C(C[NH2+]CC3CC3)CC[NH+]12,0,GDB ChEMBL
19362,COc1nc2[n-]nc(C(=O)[O-])c2c[nH+]1,0,GDB ChEMBL
87545,C=C(CC(C)(C)C)C(CC)C(C)C,1,GDB ChEMBL
141833,COC(=O)NC1C2NS(=O)(=O)C1OC2C,0,GDB ChEMBL
296333,CC1Cc2c(ccnc(O)c2=O)O1,0,GDB ChEMBL
121755,CC1CCC[NH+]1C12CCC(C1)C(C1CO1)C2,0,GDB ChEMBL
323135,CC[NH2+]C1C(OC)C(C([NH3+])CO)CC1(C)C#N,0,GDB ChEMBL
243381,CC1CN1CC(=N[O-])C(O)C(=O)NC(N)=O,0,GDB ChEMBL
71425,COCCCN(C=N)S(C)(=O)=O,1,GDB ChEMBL
142354,CCC1C(Cc2ccno2)NC(C#N)C1O,0,GDB ChEMBL
318744,Cc1cc2c(cc1C)C(C)C=CC2C,1,GDB ChEMBL
147998,COC(N)=NC1(C(N)=O)CCCOC1,0,GDB ChEMBL
100700,CC[NH+]1CCC2C1C2(C)C1CC=CC1,0,GDB ChEMBL
139779,NC(=O)C(O)Cn1cncc1C(N)=[NH+]CCO,0,GDB ChEMBL
136439,CCC1CN(C(N)=NCC(N)C(C)[NH3+])C(=O)N1,0,GDB ChEMBL
299541,C#CC12C[NH+](CC)C(C1O)C2C(CC)OC,0,GDB ChEMBL
337165,CC1(C)Cc2nnc(o2)CC(O)CC[NH2+]1,0,GDB ChEMBL
118841,CC1OC(=O)C1Nc1cnnn1C,1,GDB ChEMBL
24060,COC1C[NH+]2CC(CC1C)C([NH3+])C2C,0,GDB ChEMBL
389405,CC1(O)COC(Cc2csc(CCCO)c2)C1,0,GDB ChEMBL
278017,CC#CC([NH3+])CCC(C)=CCCC,0,GDB ChEMBL
55528,CCC(=O)CC1C[NH2+]C2CC(C(C)C)OC1C2,0,GDB ChEMBL
330099,CC1OCC2CNC(=N2)C2OC(=O)C1C2N,0,GDB ChEMBL
11749,CCc1cc(O)cnc(=O)ccccc1CO,0,GDB ChEMBL
225882,CCC1C=C2C3CN(C(C#N)CC3=O)C2C1,0,GDB ChEMBL
115418,O=C1NCC=CCCC12CC2,1,GDB ChEMBL
127621,CC(C)C1CC2CC1C(=O)C2O,1,GDB ChEMBL
48530,CC1CC2CC2CC(=[NH+]CCC(N)=O)N1,0,GDB ChEMBL
34227,COC(=O)C1=CCNC(C([NH3+])CO)C1(C)C,0,GDB ChEMBL
117372,CCN(CC[NH2+]C)CC(C)(C)C(N)C(N)=[NH+]C,0,GDB ChEMBL
263817,[NH3+]C1CCOC1C1C=CC2CC1(O)CC[NH2+]2,0,GDB ChEMBL
107642,CCC#CCc1cc(O)ccc1CCC,1,GDB ChEMBL
179277,NC(=O)c1cnc2sccc2c1,1,GDB ChEMBL
243772,O=C1CC23CCCC(C2)C1C(=O)C3,0,GDB ChEMBL
203100,COCC1C2CC(=O)NC(C)C12,0,GDB ChEMBL
298221,Nc1cc(N)c(Cl)c(C2NC2C=O)c1,0,GDB ChEMBL
304271,CC(NC(=O)N1CC(N)C1=O)C(N)=O,1,GDB ChEMBL
122676,CC1CCC2CCCCC(C)C(C)(C)CC1C2,0,GDB ChEMBL
130224,CNC(=[NH2+])CC(=NO)c1cc(=O)[nH]cc1N,0,GDB ChEMBL
170133,C#CC1NC2CC[NH+](C)CCOC12,0,GDB ChEMBL
190331,CCCC1C2C=CC3[NH2+]CC1C3C2,0,GDB ChEMBL
214383,C[NH2+]C1(CCO)CC1C(C)C(C)O,0,GDB ChEMBL
157678,CC12CC(C1)N(CCC[NH3+])C2C(F)(F)F,0,GDB ChEMBL
120008,O=C1CC(O)C(C[NH2+]CC2CS(=O)(=O)C2)N1,0,GDB ChEMBL
182881,CC#CCC(CC#N)CCC1CN1C,0,GDB ChEMBL
383275,N#CC1CC(O)CC2CC([NH3+])C1C2,0,GDB ChEMBL
285123,CC1CNC(=O)C2C(N)C1(C)C(C)N2C(N)=[NH2+],0,GDB ChEMBL
157499,OC1CCCC2(CCC2)C1O,1,GDB ChEMBL
47678,C#CC1OC1(C[NH3+])C(=O)NC,0,GDB ChEMBL
143175,C#Cc1ccsc1CC(C)(CC)CC(C)C,1,GDB ChEMBL
5037,CC(O)C#CC(C)O,1,GDB ChEMBL
201361,[NH2+]=C(CCO)NCCCC=O,0,GDB ChEMBL
170304,CCC1CC2(C)CCC(C)C1C2C1CCCC1,0,GDB ChEMBL
665,CC1CC=CC2=CCC[NH+](C1)C2C=O,0,GDB ChEMBL
27919,C=C1CC(C)C(C)C2CCOC1C2,0,GDB ChEMBL
42615,OCCC1=Cc2cc(Br)c(O)cc2C[NH2+]C1,0,GDB ChEMBL
398835,CC1CC[NH+](CCC(C)(C)c2ccns2)CC1,0,GDB ChEMBL
289442,CCCN=c1sccnc1C(=O)NC,0,GDB ChEMBL
127903,CC=C1CCC(C)C(C)CC(O)C1,0,GDB ChEMBL
122933,CC1CC2CCC(C2)c2cc(Cl)ccc21,1,GDB ChEMBL
99604,CC#CC1(OCC2CO2)CCCCC1,1,GDB ChEMBL
305074,CCc1c(Br)ccc(Br)c1C(N)=[NH+]C,0,GDB ChEMBL
308196,COC1C(O)C(C)C2CC21NS(C)(=O)=O,0,GDB ChEMBL
148328,C[NH2+]CC1NC(=[NH2+])N2CC(C)CC12,0,GDB ChEMBL
47376,COC1C(N)CN2C(N)=[NH+]CC12,0,GDB ChEMBL
356540,[NH3+]CC1CC2[NH2+]C1CC1OC2CNC1CO,0,GDB ChEMBL
289408,CC1C(O)COC1(C)CC(F)(F)F,0,GDB ChEMBL
17634,CC1CC2CCCC1C2C1CCCC[NH2+]C1C,0,GDB ChEMBL
206793,CCCCCC1(N(C=[NH2+])CC)CCC(C)[NH2+]C1,0,GDB ChEMBL
85002,C[NH2+]C1CC2OCC([NH3+])C(O2)C1O,0,GDB ChEMBL
318065,CC(=O)CC(C)CC=C(C)CCO,0,GDB ChEMBL
174869,CCCCc1ccc2c(c1C=O)C(C)CCC2,1,GDB ChEMBL
40002,CC(C)C1(C(C)NC(N)=O)CC1S(C)(=O)=O,0,GDB ChEMBL
201717,CN(Cc1nc[nH]c(=O)c1Cl)C(=O)CC#N,1,GDB ChEMBL
177283,C#Cc1cccc(C[NH3+])c1C(C)(C)CC(C)C,1,GDB ChEMBL
9920,CC[NH+](C)CC1CC(O)C(C)CN=CO1,0,GDB ChEMBL
170397,C#CCC1CCCCC=CCC=C1C,0,GDB ChEMBL
290011,CCCC1[NH+]2CCC1(C)C(CC)C(C)(CC)C2,0,GDB ChEMBL
391633,CNC(=O)OC1CCC1(OC)C(N)=O,1,GDB ChEMBL
105076,CN1CCOC2CC(C2)S1(=O)=O,1,GDB ChEMBL
374894,CCCC1C(C)C(OC)C1C[NH2+]CC,0,GDB ChEMBL
9775,O=CN1CCC(O)CC(=NO)C(=O)NC1=O,0,GDB ChEMBL
169456,CNC(=O)c1onc(CO)c1[O-],0,GDB ChEMBL
217400,CC1CCCC2(C)CCC([NH3+])C2CC1,0,GDB ChEMBL
165631,CCC(=O)C1(C#N)C=CCC1,1,GDB ChEMBL
377829,NC(=O)C(O)C1C[NH2+]C2C(C(=O)[O-])C12O,0,GDB ChEMBL
23927,CCC1OC2CC2(CCOC)C1[NH2+]C,0,GDB ChEMBL
198672,NC(=O)Oc1cc(NCCO)n[nH]1,1,GDB ChEMBL
26351,CC=CC(C=O)N(CC)CC(C)=O,1,GDB ChEMBL
267367,CC[NH+](C)C1CC2CNC(=[NH2+])C2C1O,0,GDB ChEMBL
71999,CCC(C)(O)C[NH2+]CC#Cc1ccco1,0,GDB ChEMBL
294773,CC1CCCC2CC3C(CC1)C3C2,0,GDB ChEMBL
4880,CNC1C([NH3+])C(O)C([NH3+])C1COC,0,GDB ChEMBL
280423,C#CCc1ccc(N)c(Br)c1CCC,1,GDB ChEMBL
366546,CC(C(O)CC#N)C1C2N(C)CCC12[NH3+],0,GDB ChEMBL
230759,CCC1CC2OC2C(C[NH2+]C)N1,0,GDB ChEMBL
124858,Cc1cc(C)c(CC2(C(C)[NH3+])CC2)c(Cl)n1,0,GDB ChEMBL
192596,C=CC(N1CC(O)C1)S(=O)(=O)CCC,0,GDB ChEMBL
209483,CC1=CC(C(C)C)C(C)(C(C)C)CC1,0,GDB ChEMBL
282020,Cn1cc(OC2CC([NH3+])C2)c(C(=O)[O-])n1,0,GDB ChEMBL
280603,NC(=O)C1C2C(O)C(CO)NS(=O)(=O)C12,0,GDB ChEMBL
33892,CC(=O)OC1C2C(O)C(NC(N)=O)CC12O,0,GDB ChEMBL
148949,N=C(N)NC(=O)CC(=N[O-])C(N)=[NH2+],0,GDB ChEMBL
150126,CC1=C(C2COC2)C(O)CCC(CC[NH3+])C1,0,GDB ChEMBL
161812,CC1C2CCC1(c1cc(F)cc(F)c1)C2,1,GDB ChEMBL
260737,NC(=O)NC1CCOCC2OC2C1O,1,GDB ChEMBL
292231,C#CCCC1CC(C)[NH+](C)C(C)(C)C1,0,GDB ChEMBL
219490,CCCCC(C)(C)C1CC2CCC1C2,1,GDB ChEMBL
190281,NC(=[NH2+])NCC(N)C(N)C(N)=O,0,GDB ChEMBL
22860,CNC(=O)[N-]S(=O)(=O)C1CC1([NH3+])CCCCO,0,GDB ChEMBL
263865,CCc1cnn2cc(Br)c(C[NH3+])nc12,0,GDB ChEMBL
112047,CCC(=O)C=CC(C)c1ncco1,1,GDB ChEMBL
171314,CN1CC[NH+]=C1NCCCC[NH3+],0,GDB ChEMBL
161933,CCC1CC2[NH2+]CC(O)C(O1)C2CC,0,GDB ChEMBL
208291,C#CC(C)C(C#C)C(C)Cc1cccc(Cl)c1,0,GDB ChEMBL
266207,CCC1=CC(CO)C([NH3+])CC(=[NH2+])NCC1,0,GDB ChEMBL
23488,CC1CCCN2CC1CC2(C)C#N,0,GDB ChEMBL
130468,CCC(CC(C)C)CC12C=CCC(CC1)C2,0,GDB ChEMBL
103389,CC#CC1CC12CC1CCCC(C1)C2,1,GDB ChEMBL
389404,CC1C(O)C2COCC1C2C[NH3+],0,GDB ChEMBL
246814,COC(C1CC(C)(O)CNC1=O)C1(C)CO1,0,GDB ChEMBL
7805,CN1CC(O)(C(=O)OCC[NH3+])CS1(=O)=O,0,GDB ChEMBL
204614,C[NH2+]C(C(=O)COCc1ocnc1N)C(C)C,0,GDB ChEMBL
75060,CCOC(C)C1CC[NH+]2C(CC)C12,0,GDB ChEMBL
202027,NC(=O)C(N)CS(=O)(=O)NCC[NH3+],0,GDB ChEMBL
95579,N#CC1CC=CC[NH2+]C(C(=O)[O-])CN1,1,GDB ChEMBL
305996,CC1[NH2+]C(CO)Cn2c(CC(=O)[O-])cc(O)c21,0,GDB ChEMBL
36217,CC1NC(=O)C2OC1C(O)C2[NH3+],0,GDB ChEMBL
246818,CC12C[NH2+]C(C(=O)[O-])C(O1)C2=NO,0,GDB ChEMBL
177041,CC1COC(C(=O)[O-])C1C,0,GDB ChEMBL
184634,CCC1C(CCO)CC2CCC1(C)C2,0,GDB ChEMBL
249415,CCC(C)N(C(=N)C=O)C(C)=O,1,GDB ChEMBL
11413,CCC(C)C(C)C(C)CC(C)[NH2+]C,0,GDB ChEMBL
296991,CCOc1n[nH]c2cncc(C)c12,1,GDB ChEMBL
195458,N#CC12CC(CCO)CC1CC([NH3+])C2N,0,GDB ChEMBL
347867,CN(CC#N)C(C#N)CCC[NH+]=CN,0,GDB ChEMBL
114371,N#CC1CCC([NH3+])C(N)CC[NH+]=C(N)N1,0,GDB ChEMBL
304076,C=C(C)C1CCc2cccc(C)c21,1,GDB ChEMBL
305579,C[NH2+]CCCCC(=O)CCN(C(N)=[NH2+])C(C)C,0,GDB ChEMBL
360823,CCC1C=CCC2OCC(C)([NH2+]1)C2C(=O)[O-],0,GDB ChEMBL
350305,C#CC(C)(NC1CC([NH3+])CC1O)C(=O)[O-],0,GDB ChEMBL
281181,CCC1C#CC(O)CC2CC[NH+](CC1)CC2,0,GDB ChEMBL
130249,N#CC(N)=NCCOC(CC[NH3+])C(N)=O,0,GDB ChEMBL
41331,C[NH2+]C1(CC(C)(C)OC)CC(C(C)C[NH3+])C1,0,GDB ChEMBL
144540,C[NH2+]C1CC2NC(=O)OC2C1(N)C(=O)[O-],0,GDB ChEMBL
58954,N#CC1(N)C(C(O)C(N)=O)C1(O)C(=O)[O-],0,GDB ChEMBL
66635,Cc1cc([NH+]=C(N)N)nc(O)n1,0,GDB ChEMBL
308692,C#CCN=C(CC)N(C(=O)CC)C1CCC1,1,GDB ChEMBL
310146,CNC(C)(C#N)CC1CC(C)(C)[NH2+]CC1OC,0,GDB ChEMBL
129584,CC1(C)C=CC(=O)NC2C=CC(O)C(C2)C1,0,GDB ChEMBL
267371,CC(CO)OC1CC1C(C)NCC#N,1,GDB ChEMBL
351408,CCC1C2(OC)CCC(C)C(C2)C1(C)O,0,GDB ChEMBL
61887,CC1(O)CC2OCC3NC(=O)C1C32,0,GDB ChEMBL
335456,COC(=O)C1=CC(C)=CCC(C)(C)CCC1,0,GDB ChEMBL
243746,NC(=O)C(CO)COC(=[NH2+])NCC[NH3+],0,GDB ChEMBL
6104,O=C([O-])C1C2C(=O)CCOCCN1CS2(=O)=O,0,GDB ChEMBL
330768,C#CCC1CCNc2ccc(F)c(F)c21,1,GDB ChEMBL
6049,CC[NH2+]C12CCC([NH3+])C1OC2,0,GDB ChEMBL
349476,CS(=O)(=O)N1C2C(=NO)C1C(O)C2O,0,GDB ChEMBL
77379,CNC(=O)C1C(C)(C(N)=[NH2+])C1(OC)C(N)=O,0,GDB ChEMBL
366000,CC1=CC(NC(C)C(F)(F)F)CCC=C1,1,GDB ChEMBL
318125,COCC1(C#N)CC(=O)[N-]C(=O)C(C#N)C1=O,0,GDB ChEMBL
378144,CC12CC(CO)(C(=O)NC(=N)N)CC1O2,1,GDB ChEMBL
193743,CCC(O)C1(OC(N)=O)CC(C)C([NH2+]C)C1N,0,GDB ChEMBL
2980,CC1C=CCC2(C)CC(=[NH2+])NC2C1C(=O)[O-],0,GDB ChEMBL
165609,CC#CC1(C#N)C(OC)C1(CC)CC(C)C,0,GDB ChEMBL
87082,Cc1cc(F)c(C2CC(C(C)C)C2)cc1F,1,GDB ChEMBL
230508,CC1(C(=O)C(C#N)OCC(N)=O)CO1,1,GDB ChEMBL
221101,C#CC12CCC(CC)[NH+]1CCC2CC,0,GDB ChEMBL
84238,CC(C)CCCC1=CCC2CCC1(C)C2,1,GDB ChEMBL
197221,COCC1(O)CCNC(=O)C(N)C(OC=N)C1,0,GDB ChEMBL
288158,CCC(C)C1C=CC(C)=CC=CC(O)C1,0,GDB ChEMBL
207366,C#CCOc1c(Br)ccc2c1C1CC2(C)C1,1,GDB ChEMBL
335477,Cc1c(N)cncc(C(=O)N(C)C)c1=O,0,GDB ChEMBL
203769,CCC1OC2C([N-]S2(=O)=O)C1C(=O)OC,0,GDB ChEMBL
77030,CC(CO)CC(O)CC1CCC([NH3+])C1O,0,GDB ChEMBL
81721,CCCC(=O)OC1C(CC)C([NH3+])C1(C)O,0,GDB ChEMBL
355016,C#CC1(CO)C2CCC1CN(CC(F)(F)F)C2,0,GDB ChEMBL
51029,[NH3+]CC1Cc2ccc(Cl)c3c4c(n1c23)C[NH2+]C4,0,GDB ChEMBL
1515,CC1(O)CC(O)C2(CC(CO)C2)NC1=O,0,GDB ChEMBL
118713,CCS(=O)(=O)NCc1cocn1,1,GDB ChEMBL
304879,C#CCC(C)(C)CC(=O)OC,1,GDB ChEMBL
309819,CC[NH2+]C1(C(=O)[O-])CC1C,1,GDB ChEMBL
182920,CCCC(CC(C)C([NH3+])C[NH2+]C)C1CCC1,0,GDB ChEMBL
181714,CCC1COC1(CC)C(O)C(N)=O,0,GDB ChEMBL
18686,C=CC1(C)CC2C(C)CC(C)C2O1,0,GDB ChEMBL
354083,CC1C=CC2CC1[NH2+]C2C(=O)[O-],0,GDB ChEMBL
318107,COc1nsc(NC(N)=[NH2+])c1CCNC(N)=[NH2+],0,GDB ChEMBL
366910,CCCCC(C)(C)C1CC(C)(C)C(C)C(=O)O1,0,GDB ChEMBL
195377,CCC(C)([NH3+])C1CC2NC(=O)C(O)C2O1,0,GDB ChEMBL
107684,CC1C[NH2+]C(C2CC2O)CO1,0,GDB ChEMBL
28995,C#CCCC1CC2(CCC(C)CC2)CCC1C,0,GDB ChEMBL
33267,CCC1CCC(C)C2(C)CCCC(C1)C2,0,GDB ChEMBL
81005,C#CC1C[NH2+]C2C(C)COCC2C1,0,GDB ChEMBL
18836,CC[NH2+]CC(O)CC(=O)c1nncnn1,0,GDB ChEMBL
71434,CCOCc1ccc(N)ccc(C(C)C)[nH]c1,0,GDB ChEMBL
378891,COC1(C)CC2C(=O)NC1C2[NH3+],0,GDB ChEMBL
273970,O=C([O-])C1([NH+]2CC(C3CC3)C2)CCC1,0,GDB ChEMBL
281808,CC1C(=O)CC(=N)N1CC#N,1,GDB ChEMBL
119983,CCC1OC(C(O)CNC(N)=O)CS1(=O)=O,1,GDB ChEMBL
6486,[NH3+]C1C(CO)C1(CO)C(O)C(=O)[O-],0,GDB ChEMBL
186057,CC(=CC(C)CC(C)[NH3+])C(C)(C)C,0,GDB ChEMBL
303863,CNC(=O)CC1CNC1(C#N)C1CC1,0,GDB ChEMBL
245845,N=C(N)N(CC(N)=[NH2+])C(=O)C(O)CO,0,GDB ChEMBL
310767,[O-]c1ccn2cccc2c1Cl,0,GDB ChEMBL
397967,CCc1cc(O)cc(C(C)(C)C)c1CC(C)C,1,GDB ChEMBL
339100,C#CC1CC1CC(CCC)OC,1,GDB ChEMBL
383093,CC1=CC(CC(C)(C)CC[NH3+])C2(CO2)C1O,0,GDB ChEMBL
61979,NS(=O)(=O)OC(C[NH3+])C1C[NH2+]CCN1,0,GDB ChEMBL
48532,CN1CC(=O)NCCNCc2nc1no2,1,GDB ChEMBL
386418,CC12NC(=O)C(C[NH3+])C(O)C1C2OC(N)=O,0,GDB ChEMBL
162890,N#CC1CCC[NH2+]CCOC1,0,GDB ChEMBL
259120,[NH3+]C(CO)C1CC(S(=O)(=O)[O-])C(=O)N1,0,GDB ChEMBL
5221,C#CC(C[NH2+]C(C)(C)C)c1cc(Cl)ccc1C,0,GDB ChEMBL
181134,CC12COC(OC1)C(O)CCNC(N)=[NH+]2,0,GDB ChEMBL
378135,NC(=O)C1(O)CCC(=O)NC(C=O)C(O)C1O,0,GDB ChEMBL
45695,CC1=CC(CC2CC2C)[NH2+]C(C)CCC1,0,GDB ChEMBL
322865,CCc1cc(C)c(C2CC2)cc1F,1,GDB ChEMBL
24525,COC(C)C1C(O)CC(C)C2OC21C,0,GDB ChEMBL
381482,CC(=[NH2+])N(C)C1(CN)CC1(C#N)CC(=O)[O-],0,GDB ChEMBL
273984,CC(C)CC1CCC2(C(=O)[O-])CC(C)C(C1)O2,0,GDB ChEMBL
132815,CC(C)COCC1=CC=CCCC=CC=C1,0,GDB ChEMBL
164652,CC(C)C1(C)CCCC2C3CCCC(C21)[NH+]3C,0,GDB ChEMBL
95169,COC1CC23C=CC(C)C2C1[NH2+]C3,0,GDB ChEMBL
45031,CCNc1ccc2c(O)c(N)c(CO)n2n1,0,GDB ChEMBL
376001,CCCC1CC(C)C2CCCC1C2,1,GDB ChEMBL
249858,C=CC(CCNC=O)C(O)C(N)=O,1,GDB ChEMBL
146965,CN(C(=O)C(O)C#N)c1ccc(N)cn1,1,GDB ChEMBL
244494,C=CC(NC(N)=[NH2+])C(N)(CC)C[NH3+],0,GDB ChEMBL
372547,CCC[NH+]=CNC(C=O)C(C)CO,0,GDB ChEMBL
34754,NS(=O)(=O)C1OC2C([NH3+])CC1C2C(=O)[O-],0,GDB ChEMBL
283393,CC1C[NH2+]C2C(CCC2(C)O)C1,0,GDB ChEMBL
38466,CC([NH2+]C1C(N)C(C[NH3+])C1(O)CO)C(N)=O,0,GDB ChEMBL
148360,N#CCC1C2C(=O)NCCC12[NH3+],0,GDB ChEMBL
288684,CC12C[NH2+]CC1NC(=O)C2O,0,GDB ChEMBL
235932,CCC1C2[NH+](C)C(C)CCC12C(C)C,0,GDB ChEMBL
395623,CCC1C2CC3CC3COCC[NH2+]C12,0,GDB ChEMBL
273420,COCC(=O)Nc1cc(N)sn1,1,GDB ChEMBL
340468,COCC(C)C(C(=O)[O-])S(=O)(=O)[O-],0,GDB ChEMBL
186758,C[NH2+]C1CC12OC(=O)CC2(C)O,0,GDB ChEMBL
259111,C#CCCC([NH3+])Cn1cncn1,1,GDB ChEMBL
333873,C[NH2+]CC(N)C12CCCC(O)C(C)C1CC2,0,GDB ChEMBL
271555,C#Cc1cc(I)c2c(I)cccc2c1,1,GDB ChEMBL
34195,C=C1CC(OC)CC(O)C(O)C1O,1,GDB ChEMBL
26997,C[NH2+]C1CCOC2COC1C(=O)C2O,0,GDB ChEMBL
47563,CC(CNC=[NH2+])OCC([NH3+])CO,0,GDB ChEMBL
21466,CCC1CCN1C(=O)Oc1cccc(I)c1,1,GDB ChEMBL
334020,Cc1ccc(Br)c(CC2C(C)C2C)c1C,1,GDB ChEMBL
320427,C[NH2+]CC#CC1=CC(C)CC1,0,GDB ChEMBL
274100,CNc1nc(CC(=O)NCCO)c(Br)c(=N)s1,0,GDB ChEMBL
71664,CC(=O)C(O)CC(=O)OCCCO,1,GDB ChEMBL
111497,CC(C)[NH2+]C(C)C1(CO)CN2CCC1C2,0,GDB ChEMBL
307601,CCCC1(C(C)(O)CC2CCC2)CC1,1,GDB ChEMBL
127663,CC1CC[NH2+]C(C)C2C(O)C[NH2+]C12,0,GDB ChEMBL
255136,NC(=O)C1CC(O)C2N3CCCC123,0,GDB ChEMBL
306331,C[NH+]=c1c(CC(C)C)c(C2CC2)ccn1C,0,GDB ChEMBL
64323,CCC12CC(=O)NCC(CC#N)C1COCO2,0,GDB ChEMBL
342387,CC(CO)CC(C)(C)C(N)=O,1,GDB ChEMBL
270070,CC[NH2+]CC1NS(=O)(=O)CC(=O)N(C)C1=N,0,GDB ChEMBL
90298,Cc1cc(=NCC(F)(F)F)c(NC(C)C)no1,0,GDB ChEMBL
38542,CCC1C[NH2+]CC2OCCC12,0,GDB ChEMBL
120886,CC1CC[NH+]2CCC(C)(C3C[NH2+]3)C1C2,0,GDB ChEMBL
217665,CC#CC12CC(O)(CNC1=O)C2,0,GDB ChEMBL
133957,CCCC(C)CC1C(C)C1CC(C)(C)C,0,GDB ChEMBL
115295,CC(C)C1CCC2CC(O)C1C2,1,GDB ChEMBL
359050,CC(C)CN(C)C1=[NH+]C2CCC(C)(C)C1C2,0,GDB ChEMBL
385935,COC1C(=N)NC1C(C)(O)C(CO)C(N)=O,0,GDB ChEMBL
366558,C[NH2+]CCNCCc1c[nH]c(OC)c1,0,GDB ChEMBL
77371,CS(=O)(=O)NC1CC2NC1C2OC(N)=O,0,GDB ChEMBL
344354,CCC(CC)C(CC)(CC)CC1(C)CCCC1,1,GDB ChEMBL
48021,CN1C2CC3C(=O)NC2C(=O)C31,0,GDB ChEMBL
35336,C#Cc1cc2c(c(CCC)c1CC)OCC2,1,GDB ChEMBL
97770,CCC1=CC(CN)[NH2+]CCC1,0,GDB ChEMBL
252721,CC1(C(O)CC[NH3+])C=CC2CC=CC21,0,GDB ChEMBL
361172,NC=[NH+]CC1CNC(=O)N1CCC[NH3+],0,GDB ChEMBL
280012,CC(C)C12CC1C(O)CCCCC2(C)O,0,GDB ChEMBL
281999,NC(=O)CC(COC=O)OS(N)(=O)=O,1,GDB ChEMBL
383065,COCC1CC(O)(C(=O)OC)C1O,0,GDB ChEMBL
26884,C1CC2C(CCC3OC32)C[NH2+]1,0,GDB ChEMBL
277967,OCC1=CCNCc2ncc(o2)CC1,0,GDB ChEMBL
72432,CCCCC(O)C1([NH3+])CC1,0,GDB ChEMBL
3027,CS(=O)(=O)[N-]C(=O)COC(=O)C#CC[NH3+],0,GDB ChEMBL
243753,CCCC1C2CCC2C2CCCC1C2(C)C,0,GDB ChEMBL
152612,CCCc1ccc(CC(C)(C)[NH3+])c(CCC)c1,0,GDB ChEMBL
315282,CCC(C)C1(C)CCCC(=O)CCC(C)CC1,0,GDB ChEMBL
30354,C1CCC2(CC1)CCC1CCCC1C2,1,GDB ChEMBL
3971,NC1=[NH+]C2(CO)CC(C(=O)[O-])C(N1)C2C(=O)[O-],0,GDB ChEMBL
294258,C#CC1CCCC[NH2+]CC2CCCC(C)C1C2,0,GDB ChEMBL
127297,O=C1OCC(O)CC(O)CO1,1,GDB ChEMBL
1070,[NH3+]C1(C2CC2)CCC[NH2+]C1CO,0,GDB ChEMBL
127462,CC1=CCCC=CCCC(=O)C1,1,GDB ChEMBL
134451,CCC1C[NH+]2CC(C)C1C2C,0,GDB ChEMBL
193774,CCC#CC(=[NH2+])N(C)CCC(C)(C)C,0,GDB ChEMBL
240405,CCC(C[NH3+])C1C=C(C(C)[NH3+])CC1O,0,GDB ChEMBL
367769,C[NH+](C)Cc1[nH]cnc1C(C)(C[NH3+])CO,0,GDB ChEMBL
298914,Cc1cccc(F)c1C(C)C[NH3+],0,GDB ChEMBL
318812,[NH3+]CCC(O)(CO)C1CC1,1,GDB ChEMBL
345410,O=CC1CC2CCCCC2C1,1,GDB ChEMBL
248844,CC(C#N)(C=O)CCO,1,GDB ChEMBL
17055,CCc1cc(=O)cc(OC)c(OC(C)C)n1,0,GDB ChEMBL
177175,N#CC(C(=O)[O-])C1OCC(=O)O1,1,GDB ChEMBL
197047,NC1C(=O)OCC2(N)C(C[NH3+])NC(=O)C(O)C12,0,GDB ChEMBL
70144,CCn1c(C)c(C(C)CCO)c(OC)c1C[NH3+],0,GDB ChEMBL
382152,O=C(c1n[nH]nc1[N+](=O)[O-])N1CCC1,1,GDB ChEMBL
252578,CCC1CCCC2NC=[NH+]CC2(CO)C1CO,0,GDB ChEMBL
233910,CCNc1cc(N)c(CC[NH3+])c(C)c1O,0,GDB ChEMBL
101507,c1ncc(N2CCCC2)nn1,1,GDB ChEMBL
207669,CC1CC[NH+](C)CC(CN2CC(C)(O)C2)C1,0,GDB ChEMBL
66650,CCC(=O)[N-]S(=O)(=O)C(N)=[NH2+],0,GDB ChEMBL
359095,CC1CCCC=CC1C1C[NH2+]1,0,GDB ChEMBL
263241,CC1CN2CC(OC(N)=O)C(C)(C)[NH+]=C2N1,0,GDB ChEMBL
280766,CCC1(O)C2(CC=CC2)C1(OC)C(N)=O,0,GDB ChEMBL
11691,NC1=[NH+]C2CC(=O)NC1C(O)C2O,0,GDB ChEMBL
273645,CCCCC#CCc1cccc(I)c1,1,GDB ChEMBL
288682,CC1CC2c3c(cc(Cl)c(O)c3O1)C1CC12,0,GDB ChEMBL
122685,CNC1=[NH+]CC(C[NH3+])CC(C[NH3+])CC1,0,GDB ChEMBL
75831,CC[NH+]1CC(C)C(C[NH3+])Cc2cc(N)ccc21,0,GDB ChEMBL
248673,CC1[NH2+]CCC2[NH2+]C(CCO)C(C(=O)[O-])C12N,0,GDB ChEMBL
48158,COC1CN=C2NC(=O)C(N)C3(C#N)C1N23,0,GDB ChEMBL
15575,C#CC(=O)CCCCS(=O)(=O)CCCC,1,GDB ChEMBL
334382,CCC(CO)NC(CN(C)C=[NH2+])c1nccs1,0,GDB ChEMBL
228796,Cc1nc(=O)[nH]nc1NC1CC[NH2+]CC1,0,GDB ChEMBL
274911,Oc1cc(Cl)cc2nccnc12,1,GDB ChEMBL
393911,CCC([NH3+])COCCC(C)S(=O)(=O)NC,1,GDB ChEMBL
292920,C#CC(CC(C)(CO)C(=O)CC)C(C)(C)O,0,GDB ChEMBL
284812,Cc1cc(NC=[NH2+])c2c(O)nc(O)cc2n1,0,GDB ChEMBL
181702,Nc1nc(C(=O)[O-])ncc1Cl,0,GDB ChEMBL
141886,C#CC12CCC(C[NH+]1C)C(CC)C2,0,GDB ChEMBL
175708,CCCc1c(C)[nH]c2c1cnn2C(=O)OC,1,GDB ChEMBL
177097,C#CC12CC(C)C(CCCCO1)C2,0,GDB ChEMBL
253561,CS(=O)(=O)NCCCC1(C=O)CCCO1,1,GDB ChEMBL
305143,CC(=O)N(C)C12C[NH2+]C(C)C(O)C1NC(=[NH2+])C2,0,GDB ChEMBL
225015,C[NH2+]C1C(O)CCCC1(CO)NC=O,0,GDB ChEMBL
132313,COCCC1C[NH2+]C(C)C1C(C=O)C(C)(C)O,0,GDB ChEMBL
204557,OCCC1CCC2CC3C[NH+]1C3C2,0,GDB ChEMBL
386463,Cc1cc2c(c(C(F)(F)F)c1Cl)CC(C)C2C,1,GDB ChEMBL
330065,CCCCC1CC1[NH2+]C,0,GDB ChEMBL
175739,NC(=O)c1c(O)cc2cc([O-])c(Br)cn12,0,GDB ChEMBL
334406,C1#CCC2CCCCC(C1)CCC2,0,GDB ChEMBL
346837,N=CN(C(=O)NC(=N)OCC[NH3+])C1CCOC1,0,GDB ChEMBL
386198,C#Cc1c(N(C)C)ccc(C)c1CC,1,GDB ChEMBL
690,CN=C(NC1CC1)C(=O)OC,1,GDB ChEMBL
382100,C#CC(CO)C1(CC(C)CC)CCC(C)([NH3+])C1,0,GDB ChEMBL
240383,COC(CC1COC(=O)N1)C(O)S(N)(=O)=O,0,GDB ChEMBL
209677,CCC1C2CC2C2C[NH+]1CCC1CCC2C1,0,GDB ChEMBL
362809,CCC1(C(C)CO)CCC([NH3+])c2cccn2C1,0,GDB ChEMBL
25184,N=c1nc(S(N)(=O)=O)cc(COCCO)[nH]1,0,GDB ChEMBL
370285,C[NH2+]CC1C(OC)C1N(C)C,0,GDB ChEMBL
250563,CCC1CC2C=C(C)CC(CCCC2)C1,0,GDB ChEMBL
170428,CCCNC(=O)c1cc(C(C)=O)c(O)c(=N)[nH]1,1,GDB ChEMBL
306351,C[NH2+]C1C(O)c2ccccc2COC2CC21,0,GDB ChEMBL
115600,C#CC1CC(C#C)C(C)[NH+](C(C)CC)C1C,0,GDB ChEMBL
33146,CC(O)C1NC(=O)C(C[NH3+])C1C,0,GDB ChEMBL
378123,COc1cc(C[NH3+])c(CCC[NH3+])[nH]1,0,GDB ChEMBL
341360,CC(O)C=CC1(C)CC[NH+](C)C1C,0,GDB ChEMBL
390499,COc1sccc1C(=O)NCCO,1,GDB ChEMBL
184532,CC[NH+]1CCC2CC1(CO)CC(C)O2,0,GDB ChEMBL
298949,CC(C#N)NC(CCCC=NO)CC1CC1,1,GDB ChEMBL
252907,C#CCC1CC(CC)C(CC(CC)[NH2+]C)C1O,0,GDB ChEMBL
118398,N#CC1(CO)[N-]C(=O)NC(=O)C2OC21,0,GDB ChEMBL
125627,C#Cc1ncnc(C(O)CC#N)c1COC,1,GDB ChEMBL
313300,C#CC1=CCC(CC)CC1C1(C)CCCC1,0,GDB ChEMBL
203564,CC1=CCCC=C(C)CCC(O)CCC1,0,GDB ChEMBL
9985,NC(=O)C([NH3+])CCCNC=O,1,GDB ChEMBL
281057,COC(C#N)CN(C)C,1,GDB ChEMBL
227307,CCCC(C(C)=O)C(C)(CO)C1COCC1O,0,GDB ChEMBL
277633,COC(=O)NC(CO)C(O)C=O,1,GDB ChEMBL
114787,CCN1C2CC(O)CC(C(N)=O)C1C2(C)[NH3+],0,GDB ChEMBL
235692,COCC1(O)C(C[NH3+])C1C(N)C#N,0,GDB ChEMBL
76391,[NH3+]CCNC(=O)CNc1nonc1[O-],0,GDB ChEMBL
8749,Cc1c(F)cc(F)nc1CC(C)[NH3+],0,GDB ChEMBL
309844,[NH3+]C1C(O)CC(O)CC1O,1,GDB ChEMBL
354084,O=C1CC(CC23COC(C2)C(CO)[NH2+]3)NC1=O,0,GDB ChEMBL
181654,C1CC[NH+](C2CCOC2)C(C2CO2)C1,0,GDB ChEMBL
374366,CC(=O)C(=O)NC1(C[NH+]=C(N)N)COC1,0,GDB ChEMBL
115457,CC1C2NS(=O)(=O)C1C2CC(N)=O,0,GDB ChEMBL
54828,CCC(C)CC1CCC2C[NH2+]CC1CC(=O)C2,0,GDB ChEMBL
387285,C[NH2+]CCC#CC#CC(C)C,0,GDB ChEMBL
355157,c1ncc2c(n1)CC(OC1CC1)CC[NH2+]C2,0,GDB ChEMBL
268128,CC1([NH2+]CCO)C=CCNC(=O)C1,0,GDB ChEMBL
337940,CC(C)(C)CC1C[NH2+]C(C)(C)C1,1,GDB ChEMBL
34338,CC=CC(=CCC)CCC(F)(F)F,1,GDB ChEMBL
305261,[NH3+]CC1(C2[NH2+]CCC(O)C2CO)CO1,0,GDB ChEMBL
118844,CC1C2CCC[NH+]3CCOC(CC3)C(O)C12,0,GDB ChEMBL
251013,CC([NH3+])CC(O)CCc1ncc(C(N)=O)nn1,0,GDB ChEMBL
8665,COC1C(C#N)C2CCC(=O)CC1(C)O2,0,GDB ChEMBL
214002,CN1C(=O)N(CC(=O)[O-])C2CC21C[NH3+],0,GDB ChEMBL
279109,Cc1cc(Cl)c(CC(C)C=O)c(C)c1C,1,GDB ChEMBL
375883,CCOCCNC1CC2CC1[NH2+]2,0,GDB ChEMBL
19654,CC1N(C)C2CC(=O)C3(C(N)=O)C2C13O,0,GDB ChEMBL
95557,[NH3+]CC1CCC2CS(=O)(=O)NC(=N2)NC1=O,0,GDB ChEMBL
363016,C=CC(C=CC1CCCCC1)CC,1,GDB ChEMBL
135845,Nc1cc(=O)c(O)c(NC(=O)CO)s1,0,GDB ChEMBL
173914,CC(CO)C(O)C([NH3+])C(N)=O,1,GDB ChEMBL
113614,CC1[NH2+]CCC(O)C12CC2(C=O)CCO,0,GDB ChEMBL
397940,CC1(O)C(CO)NC1CNS(C)(=O)=O,0,GDB ChEMBL
36057,[NH3+]CC1C(O)CN2CC[NH2+]CC1C2,0,GDB ChEMBL
307943,CCC(C)c1cc(C)c2c(c1F)CC(C)[NH2+]C2,0,GDB ChEMBL
5324,C#CC([NH3+])C(OCC#N)C(=O)NC,1,GDB ChEMBL
362981,CC(CN)(C(N)=O)N(C(N)=[NH2+])C(N)=[NH2+],0,GDB ChEMBL
160337,C#CCC1(N(CC)CC#N)CC1,1,GDB ChEMBL
362075,C#CCOC(=N)C(C)(C#N)CC(C)CC,1,GDB ChEMBL
155045,Cc1cc2cc(F)c1C1CC(C1)OCCC2,1,GDB ChEMBL
353224,CCCC12NC(=O)C(C)=CC1(C)C2CC,0,GDB ChEMBL
157111,CCCCC12CC=C(C)CC1CCC2,1,GDB ChEMBL
194278,CCC12CC(OC1C(=O)[O-])C(=O)O2,0,GDB ChEMBL
4975,CCNS(=O)(=O)CC1C2NC(=O)OC(C)C12,0,GDB ChEMBL
393977,CC(C)(CC1CC1)C1CCCC1,1,GDB ChEMBL
93785,C#CCc1cc(C(F)(F)F)nc(C)c1CC,1,GDB ChEMBL
41638,C=C1CCC(C#CCCC)CC1C,1,GDB ChEMBL
101870,CC1CC2(c3ccc(Cl)cc3)C=CCC1C2,0,GDB ChEMBL
187242,CNC(=O)C1C(O)C1COS(N)(=O)=O,0,GDB ChEMBL
120527,CC#CC(N)C(C#N)(CS(=O)(=O)NC)C(C)C,0,GDB ChEMBL
111504,CCCCC1CC(C)(C)C2CC2CC1C,0,GDB ChEMBL
346861,CC([NH3+])CNC(=O)CC1[NH+]=C(N)NC1=N,0,GDB ChEMBL
296584,CCC1C(C)(C)CCC1([NH3+])CO,0,GDB ChEMBL
149981,CCNC(C)=[NH+]C1(CCC(N)=O)CCCC1,0,GDB ChEMBL
304160,COC(=O)C1CC(N)(S(N)(=O)=O)CN1,0,GDB ChEMBL
358154,CNC(=O)C(C[NH3+])COC=N,0,GDB ChEMBL
245830,CC1C2CC(O)C1NS(=O)(=O)C2,0,GDB ChEMBL
118374,CCC1(C2=CCC(O)CC2)CC1,1,GDB ChEMBL
362851,Cc1c(N)oc2ccc(C3CCCC3)c(Cl)c12,1,GDB ChEMBL
270107,C#Cc1c(Br)cc(CC)c(C(C)CC)c1Br,1,GDB ChEMBL
288553,CCCCC1(N)CCC(C)CCC[NH+](CC)C1,0,GDB ChEMBL
377282,C#CCC1C=CC(C)CC1CC,0,GDB ChEMBL
172323,Cn1nc(CNC=O)c2c1NC(=O)C2,1,GDB ChEMBL
394383,CCc1cc2c(s1)C[NH2+]CC(N)C([NH3+])CCN2,0,GDB ChEMBL
219520,O=C([O-])C[NH2+]C1C(O)C(O)C2(O)CC12,0,GDB ChEMBL
196710,CCOC(C)Cn1cc(C)c2cnc(Br)cc21,1,GDB ChEMBL
227575,CNC(NC)=[NH+]C(C)CCOC,0,GDB ChEMBL
25217,CC1Cc2cccc(I)c2N1C,1,GDB ChEMBL
354031,COCC1=CCC(C=O)C(C(=O)[O-])C1,0,GDB ChEMBL
330106,[NH3+]CC1CC(O)(CO)C2C(=O)OC1C2O,0,GDB ChEMBL
286111,CCN1C(C)C1c1cccn1C,0,GDB ChEMBL
307611,CCC([NH3+])CC1C=CCNC1(C)C(F)(F)F,0,GDB ChEMBL
718,COCC1CC=CCC1=O,1,GDB ChEMBL
271353,C=CCC1(CC(O)C=O)CCCC1,1,GDB ChEMBL
163902,CC1=CC2=CC[NH+](CCCCC=C1)C2,0,GDB ChEMBL
119974,C#CC(CCC([NH3+])(CC)CC)CC([NH3+])CCO,0,GDB ChEMBL
358244,CC1CC2CCC3[NH2+]CC1(C#N)C23,0,GDB ChEMBL
44373,CCC([NH3+])C(O)C1[NH+]=C(N)CC1O,0,GDB ChEMBL
100690,CC[NH+](C)CC1OCC1(C)C,0,GDB ChEMBL
34926,CCC(=O)C12COC1=NCC(CO)C2,0,GDB ChEMBL
343976,CC[NH2+]C1CC1Cc1cc(C)ccc1F,0,GDB ChEMBL
48464,COC1C([NH3+])CCN(C)C(=O)C1N,0,GDB ChEMBL
157507,C#CC1CC1C(CC)CC1CCCC1,0,GDB ChEMBL
97787,COCC(C)C1(O)CNC(=O)C1[NH3+],0,GDB ChEMBL
111891,CC1(C)C2CC=CC(CC#N)C(O)C1C[NH2+]2,0,GDB ChEMBL
233436,C#CCCC1CC=C(C#C)CC=CCCC1,0,GDB ChEMBL
315279,CC12CCCCC(CC3CCC1C3)C2,0,GDB ChEMBL
355301,CCC(CC)(CO)[NH+]=C(N)NCCO,0,GDB ChEMBL
221395,CC1[NH2+]C2C3CCNC(=O)C2(O)C13,0,GDB ChEMBL
155161,CCC1(O)CNC(=O)C(C=O)N(C)C1C(N)=[NH2+],0,GDB ChEMBL
78618,CN=C(OC=O)c1ccnn1C,1,GDB ChEMBL
157364,CCc1cscc1C([NH3+])CCC(C)(C)C,0,GDB ChEMBL
372740,CC(C)C1OCCC1(C(C)C)C1[NH2+]CCC1C,0,GDB ChEMBL
277641,C#CCCC1CC2CC(C(C)C)C1(C)C2,0,GDB ChEMBL
225047,C[NH+](C)CC(C(=O)[O-])C(O)CO,1,GDB ChEMBL
350286,Cc1cn(CCC#N)c(O)n1,1,GDB ChEMBL
79524,CN1C(=O)CCCC2(CN2)C1=O,0,GDB ChEMBL
261426,[NH3+]C1C2CC(CC3OC31)NC2=O,0,GDB ChEMBL
9932,CS(=O)(=O)[N-]c1cocc1C(N)=O,0,GDB ChEMBL
274240,CC(=O)C(C(C)C)C12CCC(C)[NH+](C)C1C2,0,GDB ChEMBL
26355,CC#CC1CC=CCC(C)(C)CC([NH3+])CC1,0,GDB ChEMBL
16748,O=C([O-])Cc1n[nH]c2c1CNC2=O,0,GDB ChEMBL
47243,Cc1c(C[NH3+])noc(=O)c1CC(F)(F)F,0,GDB ChEMBL
206799,CC1CCC=C2CCC(C)CC(C)(C2)C1,0,GDB ChEMBL
140273,CC1(O)CC2[NH2+]CC(C2O)C1(N)C(N)=O,0,GDB ChEMBL
176502,CCCCC[NH2+]C(C)(C)C(C)CC(C)(C)C,0,GDB ChEMBL
390122,C[NH2+]C1CCc2sc(C)nc2C1O,0,GDB ChEMBL
269385,NC(=O)NCC(C[NH2+]CC(O)CO)=N[O-],0,GDB ChEMBL
99560,C1#CCC2CCC(CCC1)[NH2+]2,0,GDB ChEMBL
104483,C1=CCC2CCCCC(=CCC1)C2,1,GDB ChEMBL
57327,COCc1cc2c(c3sccc13)CN(C)C2C,1,GDB ChEMBL
207680,CCC1C=CCC(C=O)[NH2+]1,0,GDB ChEMBL
94851,CCC(C)(C)CC([NH3+])COC1=NCCN1,0,GDB ChEMBL
286141,CC=CC12OCC1C[NH+](C)C2CC,0,GDB ChEMBL
392488,CC(C)C[NH+](C)C1CC2CC2C1(C)C,0,GDB ChEMBL
305141,CC(C)(C)CC1CC2=CCC=CCC1C2,0,GDB ChEMBL
97222,C[NH+]=C(N)OCCCc1cnsc1,0,GDB ChEMBL
48522,CC(C)([NH3+])CN1CCC1,1,GDB ChEMBL
34203,CC(=O)OC(C=O)C1COC1,1,GDB ChEMBL
44686,CC(=NO)C1COC(=O)C1(O)CC#N,0,GDB ChEMBL
302257,CCC1CC2(C)CC(CC2C)C1[NH+](C)C,0,GDB ChEMBL
343969,CC1CCC=C2CC(C1)CC21CC1,0,GDB ChEMBL
125551,COc1csc(NC(N)=O)c(C)c1=NCCO,0,GDB ChEMBL
77276,C[NH2+]CCc1cc(C2CC2C[NH3+])c(O)cn1,0,GDB ChEMBL
3017,CC(C)NS(=O)(=O)C(C)C(O)CCO,1,GDB ChEMBL
193274,COCC12CCC(C)[NH+]1CC1COCC1(C)C2,0,GDB ChEMBL
93757,COC1C(O)C(=O)C(CS(N)(=O)=O)C1O,0,GDB ChEMBL
300902,CCOC1OC(C(N)=O)C([NH3+])C2CC12C,0,GDB ChEMBL
98563,CC#CCN(CC1(C)NC1CC)C(C)=O,0,GDB ChEMBL
228509,CN1C(=O)CC2C([NH3+])C(N)C(O)C21,0,GDB ChEMBL
234247,CC1CCC(C[NH3+])(S(=O)(=O)NC(C)C)CC1,0,GDB ChEMBL
194494,C[NH+]=C(N)NCC(=CC[NH3+])C(N)=O,0,GDB ChEMBL
252703,C=CCCCC(CCC)C(C)C=C,1,GDB ChEMBL
339993,COCC1([NH3+])CC(C(=O)[O-])CC12NC2C,0,GDB ChEMBL
26830,C#CCC1Oc2c(C)c(I)cc(O)c2OC1C,1,GDB ChEMBL
252881,CC(C)OC1(C)C(O)C1c1cncc(N)c1,0,GDB ChEMBL
397048,NC(=O)C1OCC(NC=O)C(O)C1O,1,GDB ChEMBL
237993,CC#CC(CC(CC)CC)CC1CC1,1,GDB ChEMBL
345828,CC1CCC2CC([NH2+]1)C1C(CO)NCC21C#N,0,GDB ChEMBL
184925,C[NH2+]CC1C(=O)C2CC(=O)C(CC1O)C2=O,0,GDB ChEMBL
60991,COCC1(CO)C(C)[NH2+]C(C)C1N,0,GDB ChEMBL
366622,CNC(=O)NC(=O)C1C(N)C1[NH3+],0,GDB ChEMBL
48743,C=CCC(CO)C(=[NH2+])NC(C)CC,0,GDB ChEMBL
24306,CCC1CC(C)[NH2+]C(CO)CNC(=[NH2+])O1,0,GDB ChEMBL
107639,C#CC1Cc2c(CC)cc(F)c(C)c2CC1C,0,GDB ChEMBL
12733,N=C(CCC1CC1)N1C=NCCC1=O,1,GDB ChEMBL
148348,C=CC=CCCCC(C)C(C)(C)C,1,GDB ChEMBL
64072,CCC1(C)OCC(=[NH2+])NC(C[NH2+]C)C1=O,0,GDB ChEMBL
163357,CCC([NH3+])(CCO)C1CN1C,0,GDB ChEMBL
304894,NC1C(=O)OC(C(O)CO)C1OC=O,1,GDB ChEMBL
193284,N#CCC12C(CO)NC(C(O)C1O)C2C(N)=[NH2+],0,GDB ChEMBL
50076,CC(C)(C)CC(C=NO)C(=O)NC1(C)CC1,1,GDB ChEMBL
124549,CC1CCC2([NH+](C)C)CC(C)C(C1)N(C)C2,0,GDB ChEMBL
77857,C[NH2+]C1CCCC12CC2CC(C)C,0,GDB ChEMBL
871,CN1C(=[NH2+])NCC(O)C1C(O)C(N)=O,0,GDB ChEMBL
398820,Cc1cc(Cc2ccccc2)c(F)c(C)c1O,1,GDB ChEMBL
279983,CNC(=O)c1coc(=O)nc1N,0,GDB ChEMBL
124826,C#Cc1ccc2c(F)cc(C)nc2c1C,1,GDB ChEMBL
190259,CCCC1CN1CC(C[NH3+])(CO)C(N)=O,0,GDB ChEMBL
258013,CC(O)CC(=O)NC(=O)c1cscc1[O-],0,GDB ChEMBL
271849,CCCCC(=O)NC(=N)CC1=NCCO1,1,GDB ChEMBL
9938,CC(O)C[NH2+]CC1CN2CC12,0,GDB ChEMBL
159898,CC1CC1C(C)C1CC=CCCC1,0,GDB ChEMBL
151826,C#CCOC1(C([NH2+]C)C(=O)CC)CC1,1,GDB ChEMBL
194702,CCC(C)[NH2+]CCCC([NH3+])C(C)O,0,GDB ChEMBL
153202,C=C1C(C)CC(=O)COC1CCC,0,GDB ChEMBL
196505,CCOC(COC(C)(C)C[NH3+])C1=NCC(=O)N1,0,GDB ChEMBL
369311,CCCC1(C)CC2CCC1CCCC=C2C,0,GDB ChEMBL
190341,O=C([O-])CC1OCC2C3C(=NCC13)NS2(=O)=O,0,GDB ChEMBL
300559,CCC(C(C)C(C)[NH3+])C1C=CCCC1C,0,GDB ChEMBL
212598,N=C(N)N1C(=O)C2[NH2+]CCC1C1NC21,0,GDB ChEMBL
398161,CNS(=O)(=O)CC(O)C[NH2+]C,1,GDB ChEMBL
56648,CNC(=O)CC(C)C(COC(N)=[NH2+])=NO,0,GDB ChEMBL
341903,CC=CC1CC12C[NH2+]C(C)CN2C,0,GDB ChEMBL
36054,O=S(=O)(CCO)NC1CC(=NO)C1,1,GDB ChEMBL
351373,COCCC1OC(C)C(C(C)C#N)O1,1,GDB ChEMBL
26989,CCc1ccccccoc1,0,GDB ChEMBL
6823,N#CC1NC(=[NH2+])NC1c1nccs1,0,GDB ChEMBL
250570,CC(=O)NC(C)C(CC#N)S(N)(=O)=O,0,GDB ChEMBL
117376,CC1C2CC[NH+]3C(C=CCC13)C2,0,GDB ChEMBL
379185,COC(=O)C1(O)C(C)C(O)C(CO)C1(C)[NH3+],0,GDB ChEMBL
269341,COCC1C(C)C2C=CC(C2)C1O,0,GDB ChEMBL
71975,NC(N)=[NH+]CC(O)C1CC1,0,GDB ChEMBL
194478,CC(C)NC(=O)CC1(C=O)CC2(C)C[NH2+]C1C2,0,GDB ChEMBL
164687,COC1OC(C#N)C(O)C(O)C1O,1,GDB ChEMBL
248617,CC1C([NH3+])CC2CC3CC3[NH+]21,0,GDB ChEMBL
235513,CCOCC1([NH3+])C(O)C1O,0,GDB ChEMBL
96110,CCC(C[NH3+])NC(=O)[N-]C(=O)C#N,0,GDB ChEMBL
136046,N#CCCOC(C#N)(C#N)CNC(N)=[NH2+],0,GDB ChEMBL
109567,CCC(C)C1CC2(C)CN(C1C)C2C#N,0,GDB ChEMBL
375146,C1=[NH+]c2ccncc2CN1,0,GDB ChEMBL
259606,Cc1ccoc1C1C([NH3+])CCC1C(C)[NH3+],0,GDB ChEMBL
181510,NC(=[NH2+])NC(CO)C1(N)COC1,0,GDB ChEMBL
395951,Cc1ccc2c(F)c(CCCO)oc(=O)c2c1,1,GDB ChEMBL
297040,CCC1(C)C2CCC(C)C1CCC(C)C2,0,GDB ChEMBL
43548,Cc1[n-]c(O)nc(=O)c1C(N)=[NH2+],0,GDB ChEMBL
354431,CNC(=O)C1C(O)CCC2C(C=O)N21,0,GDB ChEMBL
379244,CN1CCOCC12C1[NH2+]CCC12C(O)CO,0,GDB ChEMBL
358206,CC1(C)OCCOCC(CCC#N)O1,1,GDB ChEMBL
115148,C#CC(O)(CC(C)C)C1(CCOC)CCC1,1,GDB ChEMBL
223540,COC(C)C1C(=NO)C2CCNC(=O)C21O,0,GDB ChEMBL
23552,CCc1ccc(=O)cc(OCCC=O)c1O,0,GDB ChEMBL
263217,[NH3+]CCC1CC2C=CCC1O2,0,GDB ChEMBL
218797,CCC(C(C)C)C1C2CC(C)(C)C1CC2C,0,GDB ChEMBL
378112,CC1CC(NCC[NH3+])C([NH+]=CN)C1O,0,GDB ChEMBL
111887,CNC(=O)C(O)CNC(=O)N(C)CC[NH3+],0,GDB ChEMBL
354020,COCC(C)(CO)CC(C=O)OCC(N)=O,1,GDB ChEMBL
269219,COCC(C)(CC#N)C(C)O,1,GDB ChEMBL
76445,CNC(=O)C(C)(N)C(=O)OC,1,GDB ChEMBL
67850,C#CCC(=O)C1(C)CCCC1C(O)CC,0,GDB ChEMBL
363136,CCOC1CC(C)(C(C)[NH3+])C(C)=CC1O,0,GDB ChEMBL
375900,CC1CC(CCCC(O)C(C)(C)C)C1,1,GDB ChEMBL
352596,COCC(O)CNC1(C[NH3+])CC1(C)S(=O)(=O)[O-],0,GDB ChEMBL
19399,CC[NH+]1CC2OCC2C2CC1CCC[NH+]2C,0,GDB ChEMBL
263411,C#CCN(CCC)C(=[NH2+])C1(C)CCCCCO1,0,GDB ChEMBL
217016,CC1CC(CC2CO2)C(C(N)=O)C1[NH3+],0,GDB ChEMBL
18325,Nc1cc[nH]cc(C2CCC[NH2+]2)cc(N)c1[O-],0,GDB ChEMBL
53710,COC1CC2CN2C(CO)C1O,0,GDB ChEMBL
50298,CC(=O)NC1(CO)C(=O)N(C)CC(=NO)C1C,0,GDB ChEMBL
3032,OC1C2CCC3CC(C2)C1C[NH2+]3,0,GDB ChEMBL
215723,CC1OCC[NH2+]C2CN3C(=O)CNCC3C21C,0,GDB ChEMBL
257462,CC1NC(=O)C(C)(O)C2(C)CC12,1,GDB ChEMBL
115568,CNC(=O)C1CC2NC(=[NH2+])CC2(C(C)=O)C[NH2+]1,0,GDB ChEMBL
301378,CCC(C)C1CC1(O)C[NH2+]C,0,GDB ChEMBL
25164,CNC(=O)OC1C(O)C1(O)CO,0,GDB ChEMBL
34713,C[NH+]1CCC2(CC3CC([NH3+])CC2CO3)C1,0,GDB ChEMBL
87660,C#CCCC(C#C)c1cc(I)cc(C)c1CC,1,GDB ChEMBL
26023,CCC(C([NH3+])C(O)C(=O)[O-])S(=O)(=O)[O-],0,GDB ChEMBL
177078,NC(=O)c1sc(NC=O)nc1CC=O,1,GDB ChEMBL
277917,CCC1CC(C#N)(c2c(C)ccnc2C)N1,0,GDB ChEMBL
387205,CC1C(=NO)C(=O)NC(=O)C2CC(O)C1[NH2+]2,0,GDB ChEMBL
185919,N=C1OC(=O)C=C(C(N)=O)C1NC(N)=[NH2+],0,GDB ChEMBL
115947,CC1C=CC2(C)CC(CCO2)C1,0,GDB ChEMBL
337988,CCC1CCC2(O)CC=CCC12,1,GDB ChEMBL
181375,CCC1C(C(C)O)C2(CO2)C[NH+]1C(C)C,0,GDB ChEMBL
362690,C=CC1(CCC)CC(C)(OCC)C1,1,GDB ChEMBL
198634,CCC1(C)CC(C)=CC2CC1CCC2C,0,GDB ChEMBL
176480,C#CC1(C)C2C(CC(O)C2O)C(=O)N1C,0,GDB ChEMBL
69620,CNC(C(C)C#N)C([NH3+])C1NC(=O)CC1(C)O,0,GDB ChEMBL
81034,[NH3+]C(CO)CNc1csc(O)n1,0,GDB ChEMBL
118849,N=C(N)NS(=O)(=O)c1sc(N)nc1CC[NH3+],0,GDB ChEMBL
300186,CCCc1c(CCC(C)C)cnnc1Cl,1,GDB ChEMBL
320293,Cc1cc(F)cc(C)c1CC1(C(C)C)CC1,1,GDB ChEMBL
227304,CN1CC(O)C([NH3+])C1C[NH2+]CCO,0,GDB ChEMBL
385392,CC1(C[NH3+])CC2(CO)CCC2CC(=O)O1,0,GDB ChEMBL
243763,CC[NH2+]C1C2CC(O)C(OC)C21,0,GDB ChEMBL
245821,CCC1CC(C)C2CC([NH+](C)C)C12OC,0,GDB ChEMBL
218306,[NH3+]CCCc1cc(CO)n(C=O)c1,0,GDB ChEMBL
21894,C#Cc1cc2c(c(F)c1N)C(OCC)CN2,1,GDB ChEMBL
386561,N#CCCC(O)C=C(C#N)C(=O)[O-],1,GDB ChEMBL
72367,CC(O)C1CC2(C(=O)[O-])OCCC2([NH3+])CC1[NH3+],0,GDB ChEMBL
366029,[NH3+]CCCC1CC=CC(C[NH3+])C1,0,GDB ChEMBL
70994,O=C1COC2C[NH2+]CC2N1Cc1nc[nH]n1,0,GDB ChEMBL
225354,CCC[NH+]1CC2(C)CC=C(C)C=CC1C2,0,GDB ChEMBL
279945,CC1OCCC1CC1CC1[NH3+],0,GDB ChEMBL
228765,OC1CCC=CCc2ccccc21,1,GDB ChEMBL
298056,CNc1cocc1NCCO,1,GDB ChEMBL
174643,CC(C)[NH2+]C1(CCO)CN=CNC(=O)NC1,0,GDB ChEMBL
354139,NC(=O)C(C[NH3+])C1[NH2+]CC([NH+]=C(N)N)C1O,0,GDB ChEMBL
382595,CC1C(O)C[NH+]2CC1C2C(=O)[O-],0,GDB ChEMBL
300536,N=C1OCC2CC(=O)NC1C(O)CO2,0,GDB ChEMBL
350961,N#CC(C(N)=O)C(=O)OCC1C[NH+]=C(N)CO1,0,GDB ChEMBL
70309,CC(C)C1C(C)OC(C(O)C[NH3+])C1N(C)C=O,0,GDB ChEMBL
322006,COC(=O)C1(C2CO2)CC(C)C1,1,GDB ChEMBL
109600,CCC1C([NH3+])C=C2CC(OC)CC21C,0,GDB ChEMBL
119238,NC(=O)C1C(O)C1C(=N[O-])C1COC(=O)N1,0,GDB ChEMBL
12760,CC1=CC2C(C(O)C1)N2CC(N)=O,0,GDB ChEMBL
102149,CCOC1C=CC(C)CC2CCC1(C)C2,0,GDB ChEMBL
277848,CC(C[NH3+])C(C)(C)C1(O)CCCCCCC1O,0,GDB ChEMBL
249467,CCCC(OCC(N)=[NH2+])C1COC(C)C(=O)N1,0,GDB ChEMBL
50342,CC(C)c1[nH]cnc1C(CO)C(F)(F)F,1,GDB ChEMBL
12764,C[NH2+]CC1(C(C)C)COc2cc(I)ccc2C1,0,GDB ChEMBL
378098,CCC(=O)C1=CC(CC)C([NH+]2CC=CC2)C1,0,GDB ChEMBL
33113,CCC(=O)NCC(C=O)C(C)=O,1,GDB ChEMBL
121498,CC1C(C)C2CC1C1CCCCC2C1,0,GDB ChEMBL
176415,CC(=O)CC(=[NH2+])NCC(O)C(C)(C)CC#N,0,GDB ChEMBL
28263,CC1=CCN=C(NCC(=O)[O-])C1=O,0,GDB ChEMBL
391652,CCOCC(C#N)(CC)CC=O,1,GDB ChEMBL
36182,C#CC(=O)C1CCCNC(=O)C1,0,GDB ChEMBL
113561,CC1OC(=O)C2NCCC2C1=NO,1,GDB ChEMBL
33215,CCC1CNC(=[NH2+])C1C([NH3+])CCO,0,GDB ChEMBL
28958,CN1CC2(C#N)C3CC(O)C1C32,0,GDB ChEMBL
165225,O=C([O-])C1OC1C1=NC2COCC2O1,0,GDB ChEMBL
286857,C[NH2+]C(C(=O)[O-])C(O)c1cnn[nH]1,1,GDB ChEMBL
386596,CC12C(=O)NC(CO)C1(C=NO)C2C(N)=O,0,GDB ChEMBL
246988,NC(=O)C(O)C([NH3+])C(C[NH3+])C12CC[NH+](C1)C2,0,GDB ChEMBL
161367,CC(=O)NC1C(O)CC2CC1C(O)C2C,0,GDB ChEMBL
281941,COC(CO)CC(=O)C1CNC=[NH+]1,0,GDB ChEMBL
240365,CCCCC12C=CC([NH3+])C1CC(C)(O)C2,0,GDB ChEMBL
337391,COC1C(CO)OC(=O)C23OC2C(=O)NC13,0,GDB ChEMBL
3812,Cc1cccc(C2OC23CC=CC3)c1,0,GDB ChEMBL
360966,CC(C)N(C=O)C1CC1,1,GDB ChEMBL
79608,CC(=O)CCC1CCCCO1,1,GDB ChEMBL
80357,COCC1CC1[NH+]1CC=CCC1,0,GDB ChEMBL
266491,N#CC(N)CC1CCNS1(=O)=O,0,GDB ChEMBL
85693,CNC(C#N)C(=O)OC(C)=N,1,GDB ChEMBL
270094,CCc1cc(C)c(C(C)C)c(Br)c1CC,1,GDB ChEMBL
119630,CS(=O)(=O)NCC1CC2CN1C2C(N)=O,0,GDB ChEMBL
148762,CCC(O)C1(O)CC1OC(=O)NC,0,GDB ChEMBL
262337,CCC(=N)N(C)C(=O)CCOC,1,GDB ChEMBL
274878,C[NH2+]CC(C)(N)C(C)(C)OC,0,GDB ChEMBL
44349,CCC(=O)NC(=O)c1nsc(N)n1,1,GDB ChEMBL
247488,C[NH2+]CC(COCCC#N)c1ccccc1I,0,GDB ChEMBL
336042,CC(=O)C(C[NH+](C)C)C1(C)CCC1O,0,GDB ChEMBL
240504,N=C1CN2C(=O)C([NH3+])CC2CC(=O)N1,0,GDB ChEMBL
316480,CCC1(C)CC2COCCC(C2)C([NH3+])C1,0,GDB ChEMBL
193338,N#C[C-]1N=C(N)NC(CO)COCC1=O,0,GDB ChEMBL
50265,C=CCC1(C)C(=NO)CC(=O)C1CC,0,GDB ChEMBL
335466,CCc1cc(F)cnc1C1=CCCC12CC2,1,GDB ChEMBL
207971,CCCCC1(CC[NH3+])OCC1C,0,GDB ChEMBL
173729,CC(C)C1C2CCCCC1C2C(C)(C)C,0,GDB ChEMBL
252654,CC1C[NH2+]C2CCN3CC(C3)N1C2CCO,0,GDB ChEMBL
148936,CCCC1C2CCC(CC2C)C1(C)C,0,GDB ChEMBL
2359,CC1([NH2+]CC(CO)NC=O)CC1,0,GDB ChEMBL
321779,C#CC1(N2CC(C)(OC)C2)CC1,1,GDB ChEMBL
342604,COC(=O)C1COC(C#N)CC(=O)NC(=O)[N-]1,0,GDB ChEMBL
256033,CCC1CC=C2CCC(C)(CC2)CC1,0,GDB ChEMBL
116020,C#CCN(C(C)=O)c1nc(C(N)C(N)=O)cs1,1,GDB ChEMBL
345374,COCC12C(=O)OCCC1C2[NH3+],0,GDB ChEMBL
194746,COCC1C[NH2+]CCCC1NCC[NH+](C)C,0,GDB ChEMBL
6817,CCC(=O)N1C(C)C(C)[NH2+]CC12CC2O,0,GDB ChEMBL
71316,CCC1CC2=CCC(C[NH3+])CCC1C([NH3+])C2,0,GDB ChEMBL
10587,COCC1CCC2OCC(C([NH3+])C(=O)[O-])OC12,1,GDB ChEMBL
233964,CC1OC2CC(CS(N)(=O)=O)[NH2+]C1C2O,0,GDB ChEMBL
104943,O=C(Cc1cc(=O)ccc(=O)[cH-]1)OCCO,0,GDB ChEMBL
340410,C=C(C)N1CC(C)(C)OCCC1=O,1,GDB ChEMBL
341877,C#Cc1cc(CC(C)CC)c(Br)c(Br)c1CC,1,GDB ChEMBL
203863,COC1(C)C(=O)N(C)CC([NH3+])C(O)C1(N)CO,0,GDB ChEMBL
230715,CC1C(NC(N)=[NH2+])CC2NC(=O)NC21,0,GDB ChEMBL
116420,C#CC1[NH2+]C2CCCC2CCC1C,0,GDB ChEMBL
97159,CCNC(CCC1=CCCCC1)=[NH+]C,0,GDB ChEMBL
104681,C1=CC2(CC2)C[NH2+]CCCC1,0,GDB ChEMBL
345760,O=C1C[NH2+]CCC(C2CS(=O)(=O)N2)N1,0,GDB ChEMBL
188063,CC(C)C(Cc1ccncc1)S(C)(=O)=O,1,GDB ChEMBL
157503,CCC(C)C1CCC([NH2+]C)C12CC2,0,GDB ChEMBL
157386,CCC1C2C[NH2+]C1C(C)C2C(F)(F)F,0,GDB ChEMBL
383775,NC1C(N)C2NC(=O)CNC1C2([NH3+])CO,0,GDB ChEMBL
173749,CC1CC([NH3+])C(O)C(O)C(=O)N1,0,GDB ChEMBL
362345,CC(=O)NC(=N)N1CC1C(N)C[NH3+],0,GDB ChEMBL
358828,CC(O)CCCC(C)([NH3+])C1(O)CCN(C)C1=O,0,GDB ChEMBL
112096,CC(O)C1CCC(C2CN2C(N)=[NH2+])[NH2+]1,0,GDB ChEMBL
79348,C=CC1CC2(CCC1CC[NH3+])CC2,0,GDB ChEMBL
204607,COCC1OCC1(CO)C(C)C,0,GDB ChEMBL
243359,C[NH2+]C(CN)C(C)(C)C,1,GDB ChEMBL
325730,CC[NH+]1CC2C(C1)C2C1CO1,0,GDB ChEMBL
235636,CCCC1CC2C[NH+]2C1CCC,0,GDB ChEMBL
64111,C#Cc1ccc2c(c1)CCC(C=O)=CC=C2,0,GDB ChEMBL
284794,C#CCC(C)C1[NH2+]CC1C#N,0,GDB ChEMBL
236564,C[NH2+]C(C(=O)[O-])C(C(C)=NO)C(O)CCO,0,GDB ChEMBL
32061,CN(CC(=N)OCC(=O)[O-])C(N)=O,1,GDB ChEMBL
315156,CC(C)CC1CC2(C)CCC1C(C)C2C[NH3+],0,GDB ChEMBL
1976,CCOCC1CC=C2C[NH2+]CC2(C)N1,0,GDB ChEMBL
267314,C=CC1(C[NH3+])C(COC)N1C(N)=O,0,GDB ChEMBL
283406,Clc1ccc(C2=C3C=CC4CC34CC2)cc1,0,GDB ChEMBL
304156,CC(=O)Nc1scnc1N(C)C,1,GDB ChEMBL
59234,NC(=O)C([NH3+])CCOC(=O)c1nn[n-]n1,0,GDB ChEMBL
50926,O=CN1C2=CCC1C(=O)NC(=O)OC2,1,GDB ChEMBL
38893,Cc1c2ccc(F)c1C#CC=CCCC2,1,GDB ChEMBL
390084,C#CCN(C=[NH+]CCCC)CCNCCC#N,0,GDB ChEMBL
268173,CCN1CC2N(C)S(=O)(=O)C3CC23OC1=O,0,GDB ChEMBL
3028,CCC1([NH+](C)C)CC=CC(=O)CN(C)C1=O,0,GDB ChEMBL
221716,CC(O)C(CS(=O)(=O)NCCO)=N[O-],0,GDB ChEMBL
180975,N=C(COCCO)OCC[NH3+],0,GDB ChEMBL
240454,C[NH2+]CCC1CC2CC(C[NH2+]1)C(=O)O2,0,GDB ChEMBL
382188,CC(O)CCC1C(C)C1[NH3+],0,GDB ChEMBL
8697,COC(C)C1OC=NC1CC(=O)[O-],0,GDB ChEMBL
247373,CCCC1C=CC(C[NH2+]C(C)C)CC1C,0,GDB ChEMBL
288165,CCC1CC1(CC)CC[NH3+],0,GDB ChEMBL
13812,Cc1cc(Br)cc(C(=O)[O-])c1Br,1,GDB ChEMBL
83134,CCC(CCO)(CC(C)[NH2+]C)NC=[NH+]CCN,0,GDB ChEMBL
131618,C#CC(CC=O)(C(CC)C(C)O)C(C)[NH+](C)C,0,GDB ChEMBL
385412,NC(=O)C([NH3+])C(O)C1OCC2OC21,0,GDB ChEMBL
259547,Clc1cc2c(cc1C1CC3CC3C1)CCC2,1,GDB ChEMBL
6518,Cc1sccc1C([NH3+])c1cnncc1F,0,GDB ChEMBL
118736,C#Cc1cccc(C)c1C1CCCC1,1,GDB ChEMBL
386677,CC(C)C1C2CCC1(C)C(=O)C2(C)C(N)=O,0,GDB ChEMBL
46894,C[NH+]=C(N)NCC1OCCC[NH+]=C(N)C1C=O,0,GDB ChEMBL
38474,CCC#Cc1ccc2c(c1)CCC(C)C=C2,1,GDB ChEMBL
204143,CN(C=O)CCC(C1CO1)C(O)C(O)CO,0,GDB ChEMBL
396077,[NH3+]C1CC(O)(CO)C2OCOC12,0,GDB ChEMBL
380581,CC1=CC2(C=CCCCOC1=O)CC2,1,GDB ChEMBL
41594,CCC(C)C1C2CC3CCCC3(C)C21,1,GDB ChEMBL
305340,CCCOCC1(C)NCC=CCCOC1=O,1,GDB ChEMBL
58448,CC1CC(C(C)[NH3+])(C(C)(C)C)N(C)CC(=O)O1,0,GDB ChEMBL
239155,CC1(C(=[NH2+])NCC#N)CC2COC(C2)C(=O)N1,0,GDB ChEMBL
354841,CC1CCOC2CC(C)(C)CC2C1,0,GDB ChEMBL
83548,Fc1cccc2c1C1(C=CCC=C2)CC1,1,GDB ChEMBL
23938,CC[NH+]1CC(C)(CC2CC2)C1,0,GDB ChEMBL
251902,CS(=O)(=O)NC1CN(C(=O)CO)C1=N,0,GDB ChEMBL
250655,COC(CO)C1C2CCC(C)C21,1,GDB ChEMBL
130219,NC(=[NH2+])N1CCN=C1C(CO)c1cscn1,0,GDB ChEMBL
206821,CC(=O)OC(=N)CC1C(C)COC1C,1,GDB ChEMBL
140864,C[NH2+]C(CC[NH3+])CC(O)C[NH3+],0,GDB ChEMBL
316484,CCc1nccc(C)c1CC#CC=O,1,GDB ChEMBL
376688,CC(O)(C=O)C(CO)C(=O)[O-],0,GDB ChEMBL
271327,C#Cc1cn(C)c(CCC)c1C(C)(C)[NH3+],0,GDB ChEMBL
42585,COCC1(C)CN2C(=[NH2+])NCC21,0,GDB ChEMBL
341334,NC(N)=[NH+]C(CO)CNc1cscn1,0,GDB ChEMBL
361022,N#CC1CC2C(O)CS(=O)(=O)[N-]C(=O)C2N1,0,GDB ChEMBL
265270,C=CCOC(=O)NC1(C[NH3+])CC1O,0,GDB ChEMBL
59716,C#CCCCNC1C(=O)OCC1CCC(C)C,1,GDB ChEMBL
278129,CC(=O)N1CCC12C([NH3+])C2O,0,GDB ChEMBL
168456,C[NH2+]C(C)CN(C)CCN1CC1,0,GDB ChEMBL
338627,CCCCC(CO)[NH2+]C(C)C1(C)CC1,1,GDB ChEMBL
114378,CCC1(C)C2CN(C)C1C([NH2+]C)C2O,0,GDB ChEMBL
391754,CC1OCC(C)(CN)[NH+](C)CCC1(C)C,0,GDB ChEMBL
121071,CCC(C)[NH2+]C1CN2CCC1C2,0,GDB ChEMBL
177090,CCCCCC1C=CC2CC=CC1C2,0,GDB ChEMBL
181176,NC(=O)CCS(=O)(=O)CCn1ccnc1,1,GDB ChEMBL
288516,CCC[NH+]1CC[NH+]=C(N)N(C)CCCC1CC,0,GDB ChEMBL
296357,COCC12CC1C1CC=CC[NH+]1C2,0,GDB ChEMBL
220178,CC12Cc3ccc(Cl)cc3CC(C1)C2,1,GDB ChEMBL
177159,NC(=O)C1OC(C(N)=O)C(=O)NC1=O,0,GDB ChEMBL
274831,CC1CC2CCCCCC1=CCC[NH2+]2,0,GDB ChEMBL
119884,C=CNC(=O)Oc1cncnc1C,1,GDB ChEMBL
4961,CCC1(Cc2ccc(F)cc2F)CC1,1,GDB ChEMBL
353541,CC1(S(N)(=O)=O)C(C#N)CC1C([NH3+])C(=O)[O-],0,GDB ChEMBL
259326,CCCC1C(C)C=C(C)C=CCC1(C)C,0,GDB ChEMBL
191706,CNC(=O)CC1(O)C([NH3+])C(O)C(O)C1O,0,GDB ChEMBL
312239,CC1OCC(C)(C)Cn2cc(CO)cc21,1,GDB ChEMBL
352208,CS(=O)(=O)NC1C2CC1(C(N)=O)C([NH3+])C2O,0,GDB ChEMBL
50301,C#CCC12CC(C)CC(O)C1CCNCC2=O,0,GDB ChEMBL
4788,CCC(C)N1CC1C1=CCCC1,1,GDB ChEMBL
173959,CCOC1C2(C(=O)[O-])CC(O)(C2)C1(C)C[NH3+],0,GDB ChEMBL
185949,CCC1CC([NH3+])C(C)C1O,0,GDB ChEMBL
118892,CNc1c(C(C)(C)[NH2+]C2CC2)coc1C,0,GDB ChEMBL
118889,CCNc1ccc2c(O)cc(C)n2c1NC,0,GDB ChEMBL
274657,C=CC(C)(C=O)CC1CCC(=O)O1,0,GDB ChEMBL
375902,CC1Cc2cc(I)c(C(N)=O)cc2C1C,1,GDB ChEMBL
201113,C[NH2+]C1CC2CN3CC(=O)NC2C13,0,GDB ChEMBL
302428,CCc1nc(NC(=O)C(CC)CO)ns1,1,GDB ChEMBL
272542,C[NH2+]C1C(O)CCOC(C([NH3+])C(=O)[O-])CC1O,0,GDB ChEMBL
354395,CCC1([NH2+]C)C2=C(CC(C[NH3+])C2)CC1OC,0,GDB ChEMBL
339220,C#CC1(NC(C(=O)[O-])C(C)O)CNC1=[NH2+],0,GDB ChEMBL
133151,C[NH2+]CC(=O)N1CCC2OC2C(C)C1,0,GDB ChEMBL
62122,CCC1C(C)CC(=O)C1CC1CCCOCC1,1,GDB ChEMBL
45971,CCCC(CC#N)Cc1ccc(C)c(CC)n1,1,GDB ChEMBL
249404,CCCC(C)=CC(C(C)O)C1CO1,0,GDB ChEMBL
337051,C[NH2+]CC(=O)NCC(C=O)S(N)(=O)=O,0,GDB ChEMBL
310756,[NH3+]CC1C(O)C(O)CC2OC21C(=O)[O-],0,GDB ChEMBL
127766,CC1CCC2CCC(C)C3(C[NH+]12)NCC3[NH3+],0,GDB ChEMBL
280442,CCCC1(CC2OCC([NH3+])C2N(C)C)CC1,0,GDB ChEMBL
198805,COC1C(O)C([NH3+])C(O)CC1(C)O,0,GDB ChEMBL
214922,CCCc1ccc(F)c(CO)c1C(C)C,1,GDB ChEMBL
833,CC1C(CO)[NH2+]C(C(N)=O)C1OC=O,0,GDB ChEMBL
316112,C[NH2+]CC1CC2(CO)CN2CC1[NH3+],0,GDB ChEMBL
328855,COc1nncc(N2CCCCC2)c1F,1,GDB ChEMBL
82165,COc1cc(I)c2c(c1)C([NH3+])CCO2,0,GDB ChEMBL
218349,COC(=O)c1c(O)ccc(C#N)c1Cl,1,GDB ChEMBL
250595,CC(C[NH2+]C(C=O)(CO)CO)C(C)(C)O,0,GDB ChEMBL
147255,N#CC(N)C(OC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
13755,C#CCN1CCOC(C)(C)C1,1,GDB ChEMBL
118344,O=C1C(O)CC(O)(C(=O)[O-])CC(O)C2CN12,0,GDB ChEMBL
305252,CC(Nc1cncnc1)C(O)CC(C#N)CO,1,GDB ChEMBL
17086,O=Cc1cc(=O)cccc1O,1,GDB ChEMBL
147415,CC1OC(=O)OC1C(O)CC(N)=O,1,GDB ChEMBL
28243,C[NH2+]CC1C(OC)CN1C,0,GDB ChEMBL
263433,C#CC(=C)C#CC[NH+](CC)C1CC1,0,GDB ChEMBL
304114,C#CCCC1CCCC1C(C)(C)C[NH2+]CCN,0,GDB ChEMBL
102137,CNC(=[NH2+])C1OC(=N)C1CC([NH3+])CC(=O)[O-],0,GDB ChEMBL
132322,C#Cc1c(O)ccc2c1C(CO)CCC2C,1,GDB ChEMBL
25256,COC(=O)C1C2CCC(=O)CC([NH2+]2)C1(C)O,0,GDB ChEMBL
7797,C=C1CC(C[NH3+])CCCC([NH2+]C)C1,0,GDB ChEMBL
147588,NC(=[NH2+])C(N)C1C(C(=O)[O-])C1C(O)C[NH3+],0,GDB ChEMBL
72412,C[NH2+]CC1OC(=O)CN=CN(CC#N)C1=O,0,GDB ChEMBL
111483,CNC(C(N)=NCC#N)C(C)(N)C(N)=O,0,GDB ChEMBL
230702,COC(=O)CC1C[NH+]=CN1C,0,GDB ChEMBL
337173,COC1(Cc2c[nH]cn2)C(=O)C(O)CN=C1N,0,GDB ChEMBL
388304,CC1C2COC(C(=O)N2)C1O,0,GDB ChEMBL
132213,CCCCCC1(C)CC(C)OC(C(F)(F)F)C1,0,GDB ChEMBL
35274,C[NH+]=C(N)CC([NH3+])CCC(O)C(C)C[NH2+]C,0,GDB ChEMBL
389447,C=CC(C)[NH2+]CCNCC(F)(F)F,1,GDB ChEMBL
190443,CC1C2CC([N-]C(=O)N1S(C)(=O)=O)C(=O)O2,0,GDB ChEMBL
366768,CC1CC(O)C(O)C(C)OC1C#N,0,GDB ChEMBL
304870,C#CCC1COCC(C)N(C=O)CC1(C)C[NH3+],0,GDB ChEMBL
216581,COCCOCC1C2CN1C2,1,GDB ChEMBL
345783,CC[NH+]1C2CC(C#N)(C3OCC2C3C)C1C,0,GDB ChEMBL
173920,CCC1CCC(C(C)C2CCCC2(C)CC)C1,0,GDB ChEMBL
203484,Cc1c(N)c(C(C)(N)C[NH3+])c(C(=O)[O-])[nH]c1=O,0,GDB ChEMBL
257481,CC([NH3+])C1CC=C2CC(C[NH3+])CCC21C,0,GDB ChEMBL
372582,C#CCc1cc(Br)c2c(c1)CCC2C,1,GDB ChEMBL
81004,COCc1nc(OC)c(C(C#N)NC(N)=[NH2+])s1,0,GDB ChEMBL
77067,CC1N(C)C(=O)COCC1(C)S(=O)(=O)N(C)C,0,GDB ChEMBL
88177,CC1[NH2+]C2CC3COC2CC31C,0,GDB ChEMBL
53262,CC1=CCC(C)C2(CCCCC1)CC2,1,GDB ChEMBL
300919,CC(C)CN(CC[NH3+])C(=O)C1(C)CNC1=[NH2+],0,GDB ChEMBL
195397,[NH3+]C1C(O)C(=O)OC2CCC1C2CO,0,GDB ChEMBL
262282,CC1CNC(=O)C2COC(=N)N2C1,1,GDB ChEMBL
278858,CC[NH+]1C2CCOCC(C)C21,0,GDB ChEMBL
376068,COC1CC1(C)NC1(C#N)CC1,1,GDB ChEMBL
334053,C[NH2+]C(CC[NH3+])C(O)C1CC(C)(CO)OC1=N,0,GDB ChEMBL
113483,CC(O)(CCC(O)C[NH3+])C(O)C#N,0,GDB ChEMBL
215372,N#CC1NC(C(N)=O)C(O)CS1(=O)=O,0,GDB ChEMBL
127021,C#CCC(CO)[NH2+]CCC[NH+](C)C,0,GDB ChEMBL
290526,CNc1ncc(=O)n(C)c1N,1,GDB ChEMBL
28220,CCC(C)C1C(O)CC2CC(C(C)(C)O)[NH+]21,0,GDB ChEMBL
191389,C#CC(C)C(C)c1cc(F)ccc1OCCC,1,GDB ChEMBL
357664,CC(OCC(=O)OC(C)(C#N)CO)C(O)CO,1,GDB ChEMBL
384292,COC(c1nccs1)C(N)(C[NH3+])C(O)C(N)=O,0,GDB ChEMBL
181659,C=CCC1CC2C([NH2+]1)C(=O)N2CC,0,GDB ChEMBL
283432,CC(O)C(CC(=O)[O-])Nc1cncc(F)c1O,1,GDB ChEMBL
106651,C[NH+](C)CCCCCC1=CCOCCCC1,0,GDB ChEMBL
374152,C[NH+]1CCC2(C1)OC(=O)CC1(C)CCC2C1,0,GDB ChEMBL
67603,CN=C(NC1(C[NH3+])COCCNC(=O)C1)OC,0,GDB ChEMBL
71662,O=C1NC2C=C3CS(=O)(=O)CC3C1CC2O,0,GDB ChEMBL
90294,CC1(C#N)C2C(O)CC(=O)N21,0,GDB ChEMBL
34387,O=CNCC1CCCO1,1,GDB ChEMBL
284286,CCC(C)C1CCC2CC(C)C(C)(C)CC21C,0,GDB ChEMBL
33581,C[NH2+]C12CCC[NH2+]C(C)C(C#N)(CC1O)C2=O,0,GDB ChEMBL
95481,CCC1C2C3C4[NH2+]C5C2C5C1C43,0,GDB ChEMBL
17513,COC(=O)C1C(C)CC(O)CC2CC21O,0,GDB ChEMBL
60638,CC[NH+](C)C1CCC2(C)C(C)C(=NO)CC12,0,GDB ChEMBL
330515,CCCC1CC2CC(C)(OCC)C1C2C,0,GDB ChEMBL
222771,CC(C)C(C)CC(=O)Nc1cc([O-])[nH]n1,0,GDB ChEMBL
291461,CCCC1(C[NH3+])CC(CC(C)C)CC(C)(C)C1,0,GDB ChEMBL
121707,CNC(=O)C12CC1OC(C[NH3+])C2[NH3+],0,GDB ChEMBL
95550,CC(O)C1C(O)C(C(=O)[O-])CN1C=O,0,GDB ChEMBL
242672,C#CC(N)C(C#N)C(NC=O)C(=O)[O-],0,GDB ChEMBL
47725,CC#Cc1cc(C)c(CC2CC2C)cc1Cl,1,GDB ChEMBL
280828,NS(=O)(=O)CN(CC[NH3+])C(=O)C[NH3+],1,GDB ChEMBL
365714,N#CCOc1cc([O-])c(NC(N)=O)ncc1=N,0,GDB ChEMBL
362667,Cc1ccc(I)cc1NCC#CC1CC1,1,GDB ChEMBL
259139,C#CC(C)([NH3+])CNc1c(Cl)ccc(O)c1N,0,GDB ChEMBL
193296,CCC1(C)C(COC)N1C(C)CC(=O)[O-],1,GDB ChEMBL
148001,CS(=O)(=O)C1CC(O)C(O)C1CO,0,GDB ChEMBL
124194,CCC1OCCCCC1[NH3+],0,GDB ChEMBL
259350,CC[NH+]=C(N)c1cnc(Cl)c([N+](=O)[O-])c1CO,0,GDB ChEMBL
354798,O=C1CCNC1C(O)C1CO1,1,GDB ChEMBL
174042,CCCCc1c(OC2CC2)c(N)coc1=O,0,GDB ChEMBL
132686,[NH3+]C1C2CC(O)C(CO)[NH2+]CC12O,0,GDB ChEMBL
374062,CCC(=O)Oc1cc(I)c2c([O-])c(C)nn2c1,0,GDB ChEMBL
119794,C#CC[NH2+]C(C)C1OCCC(C)([NH3+])C1O,0,GDB ChEMBL
396747,CCC(CC(=[NH2+])NC(C)C)(OC)C1COC1,0,GDB ChEMBL
98565,C#CCC(CC)CC1CO1,1,GDB ChEMBL
124174,CCC1(C(N)=O)CCC([NH2+]CC=O)C1(C)OC,0,GDB ChEMBL
31293,CC#Cc1csc(CO)n1,1,GDB ChEMBL
344255,CCOCC1C2CCNC(=O)C21,1,GDB ChEMBL
372179,N=C(C(N)C[NH3+])N(CC(=O)[O-])C(N)=[NH2+],0,GDB ChEMBL
126614,C=CC1CCC=C(CCCC)C1[NH3+],0,GDB ChEMBL
271366,Cc1cc2c(N)ncc(C)c2cc1Br,1,GDB ChEMBL
281943,C[NH+]1CC2(C)C3C(CO)CC(C[NH3+])C1C32,0,GDB ChEMBL
190344,CCC(COCC(C)C)C(=O)CC(C)C,1,GDB ChEMBL
300179,C[NH2+]CC1[NH2+]CCCC(C)CC1C,0,GDB ChEMBL
204637,COC12CCC[NH2+]C(C1)C(C)CC(C)C2,0,GDB ChEMBL
79375,CCC1NS(=O)(=O)C2C([NH3+])C12C(=O)[O-],0,GDB ChEMBL
263224,CC1C=C(C(N)C[NH3+])CC1,0,GDB ChEMBL
129776,CC1=NC(C(=O)[O-])C(=N)N1C(N)=[NH2+],0,GDB ChEMBL
172327,CCC1(CC)CCC1CCCCC(C)(C)C,1,GDB ChEMBL
121966,CCC1C(C)OCC1C(C)O,0,GDB ChEMBL
122003,O=COc1cc(F)cc(C(O)C(=O)[O-])c1F,1,GDB ChEMBL
387082,CCCCC([NH3+])C(C)C([NH3+])c1ccccc1I,0,GDB ChEMBL
26955,OCCC1C2CCC3(C2)C[NH+]1C3,0,GDB ChEMBL
250577,Nc1cc(O)nc(C(C#CCCO)=N[O-])c1,0,GDB ChEMBL
29761,C=CCC1C2CC(CC2C)C1(C)C,1,GDB ChEMBL
308699,[NH3+]C1CCOCC1C1C(O)C1O,0,GDB ChEMBL
74283,CS(=O)(=O)NC1C(=N)NC(=O)C([NH3+])C1O,0,GDB ChEMBL
122848,CC1CC(C(F)(F)F)C2OC12,1,GDB ChEMBL
124778,CCC1c2cncc(C)c2CC[NH+](C)C1C,0,GDB ChEMBL
220195,CCCC(C)(C)C1CC2CCCC2C1C(C)C,0,GDB ChEMBL
386632,COC1C(CCO)CC1C(C)=O,0,GDB ChEMBL
166426,Nc1cnc2c(c1)CC1CNC(C2)CS1(=O)=O,0,GDB ChEMBL
363030,[NH3+]CCC1(C[NH2+]CCO)CCO1,0,GDB ChEMBL
217680,C#CC(OC)C1CC(CCC)COC1CC,0,GDB ChEMBL
129451,CCC1CC2C[NH+](C1)C(CC)C2(C)CC,0,GDB ChEMBL
81762,CCCC1CC2=CC[NH2+]CC=C2C1,0,GDB ChEMBL
273785,CC(C)CC1CC=CC2CCCC(C)(C)[NH+]21,0,GDB ChEMBL
235982,CC1[NH2+]CC(O)(C2COC(N)=N2)CC1N,0,GDB ChEMBL
277889,CCCC([NH3+])COC(=O)c1[nH]ncc1N,0,GDB ChEMBL
68451,CCC(C)([NH3+])C(O)Cc1ccc(N)c(Br)c1,0,GDB ChEMBL
151070,CC1CC=CC2(C)CC1C(O)CCC2=O,0,GDB ChEMBL
189861,CC(C)C=CN1CCCOCC1=[NH2+],0,GDB ChEMBL
105140,CC(C)C1=CCC=C1NC(=O)C[NH3+],0,GDB ChEMBL
271357,C[NH2+]C(CO)C1(O)CC[NH2+]CC1OC,0,GDB ChEMBL
289968,C#CC1C2CC(C)CC12COC,0,GDB ChEMBL
110210,CC(CCC=O)=C1CCC(C)CC1,1,GDB ChEMBL
235649,CC1=CC2CC(=O)OC(C2)C2CC[NH+](C)C12,0,GDB ChEMBL
302487,NC12CC(CO)C(C(=O)[O-])(C1[NH3+])C2[NH3+],0,GDB ChEMBL
99565,C#CCC(C(=O)CCC)N1CC(C)(C)C1,1,GDB ChEMBL
334470,[NH3+]C12CC1CCCCc1cc(F)ccc12,0,GDB ChEMBL
383004,CC[NH2+]C1CC1(C)OC,0,GDB ChEMBL
396726,CCCC[NH2+]CC(O)C(O)S(=O)(=O)[O-],0,GDB ChEMBL
289786,CC1=CCCCCC12C[NH2+]C2,0,GDB ChEMBL
339278,Cn1c(N)c(C=O)nc(C(=O)[O-])c1=O,0,GDB ChEMBL
26904,CCC1(CC[NH2+]C)C=CCCC1,0,GDB ChEMBL
334373,CC(OC=O)C1CNC2C(=O)OCC2NC1=O,1,GDB ChEMBL
254933,CCC12CS(=O)(=O)CC1C(O)C(C[NH2+]C)O2,0,GDB ChEMBL
358885,N#CC1CN(CC(=O)[O-])C1C(N)=O,0,GDB ChEMBL
105082,COCC1(C)C[NH+]=C(N)N1,0,GDB ChEMBL
70980,C#CCC1(CCC[NH3+])CC(C)CC1C,0,GDB ChEMBL
71464,CC1(CC[NH3+])C2NC(=O)C1(CO)C2[NH3+],0,GDB ChEMBL
198787,CC1=CC(C)CCC(C)[NH+](C)C1,0,GDB ChEMBL
120716,CC1NCC2(CC(O)CC2[NH3+])OC1CO,0,GDB ChEMBL
10591,CC(=NO)C1CN(C(N)=O)C1,0,GDB ChEMBL
341318,COC(=O)C1CC2C(C[NH3+])C1(C)C2(C)C#N,0,GDB ChEMBL
227803,CCC1CC=C(C(C)C)C12CCCC2,1,GDB ChEMBL
324008,C#CCC(OC(CO)C(=O)[O-])C(C)[NH3+],0,GDB ChEMBL
317146,CCC1CC2(C(N)=O)OC2C(C)[NH+]1C,0,GDB ChEMBL
180839,C#CC(O)(CC#CC)C(N)=NC(C)C[NH2+]C,0,GDB ChEMBL
247531,CC1[NH+]2CCC(CC2)CC12CC2,0,GDB ChEMBL
250653,[NH3+]C1C2NC(=O)NC(CO)C(C(=O)[O-])C12,0,GDB ChEMBL
308164,CN(C(N)=[NH2+])C1C(=[NH2+])NC=NCC1CC(=O)[O-],0,GDB ChEMBL
151084,CC1=CC2(CCC(C)[NH2+]2)COC(C)CC1,0,GDB ChEMBL
296045,CC(O)C(C[NH3+])OC(=O)CS(=O)(=O)[O-],0,GDB ChEMBL
25143,CC1CC2OCOC(=O)C(O)(C1)C2C#N,0,GDB ChEMBL
280844,N#CC(C#N)(CCCO)C(=O)NC=N,1,GDB ChEMBL
137437,C[NH2+]CC(C=O)CC(=O)CO,1,GDB ChEMBL
76939,CCC(OC1(C)CC1)C1CCC1,1,GDB ChEMBL
234883,Cc1cc(C(C)C)c(N)cc1CCC#N,1,GDB ChEMBL
391678,CC1NCC2CC(OC(N)=[NH2+])C(OC1=O)C2C,0,GDB ChEMBL
372590,C[NH+]1CCCC23CCC(C2)C13,0,GDB ChEMBL
389422,Nc1nc(F)nc2[nH]cc(C3CCC3)c12,1,GDB ChEMBL
363539,[NH3+]C(CO)CNC1C(O)C2OC2C1O,0,GDB ChEMBL
23456,C#CC1(CC[NH2+]CC)C=CCC1C(C)C,0,GDB ChEMBL
334614,[NH3+]Cc1c(O)c[nH]c1OC(=O)CNC1CC1,0,GDB ChEMBL
71974,C[NH2+]CCC1(CC[NH3+])CCCC(C)(OC=O)C1,0,GDB ChEMBL
214035,CC1NC2C(C1=O)C2(CS(N)(=O)=O)C(=O)[O-],0,GDB ChEMBL
250998,O=C([O-])CN1C(C(=O)[O-])CC2CC2S1(=O)=O,0,GDB ChEMBL
120574,C#CCCCC1CC(C)CO1,1,GDB ChEMBL
17473,CN(C)C(=O)C(O)C(O)CO,1,GDB ChEMBL
44307,Nc1cccc2sncc2cc(O)cc1,0,GDB ChEMBL
10851,CC1=CC2C(C)CC([NH3+])C2C1,0,GDB ChEMBL
130575,N#CCCC(O)C(N)C(N)=[NH2+],0,GDB ChEMBL
80480,C#CC1CC(C)CCC1(C)CC(C)CO,0,GDB ChEMBL
140775,COC1C(O)C2[NH2+]C1C(S(C)(=O)=O)C2C,0,GDB ChEMBL
140807,CCC(C)(C[NH3+])CC(C)C(N)=[NH2+],0,GDB ChEMBL
274927,CCCC(CO)C1(CO)CC(C)C=C1C,0,GDB ChEMBL
148946,CC(C)C1(C(C)C)CC=CCC1,1,GDB ChEMBL
12838,CC1([NH3+])C2OC(=O)NCC21COCCO,0,GDB ChEMBL
147895,CC(=O)NC(C(N)=O)C(C#N)CNC=O,1,GDB ChEMBL
82192,CC1=CCC(C)C2C(O)CCC1C2C,0,GDB ChEMBL
391672,Nc1cn2cc(C(=O)[O-])nc2c(F)n1,0,GDB ChEMBL
46898,CC1CCCC(C)(O)C1CC1CC1[NH+](C)C,0,GDB ChEMBL
6130,CC([NH3+])CCCCC1CC=CCC1(C)C,0,GDB ChEMBL
194445,C[NH2+]C1C(O)C([NH3+])CC(O)C1(O)CC(=O)OC,0,GDB ChEMBL
136070,NC(=O)C(N)C1(C([NH3+])CO)C[NH2+]CC1O,0,GDB ChEMBL
290270,CN(CCCO)C(=O)c1[nH]nnc1[O-],0,GDB ChEMBL
339051,[NH3+]C1C2CC3OCC1C3C(=O)N2,0,GDB ChEMBL
44594,CC(=O)NC(=O)c1cc(N)cs1,1,GDB ChEMBL
152512,Cc1c(O)cn2c(NCCO)c(Br)ccc12,1,GDB ChEMBL
350301,CC(N)=[NH+]C(C)CC[NH3+],0,GDB ChEMBL
257516,CC1CCC2CC1[NH2+]C1C(C[NH3+])C21,0,GDB ChEMBL
119929,CC(=O)N(C)C(=O)C1C(CC#N)N1C,0,GDB ChEMBL
201718,CCCC(C)C1=Cn2cc(C)cc2C1,0,GDB ChEMBL
175691,CC1(C(N)=O)CCC(C(N)=O)N1C=N,0,GDB ChEMBL
264980,Cc1cc(O)c(C(C)C)c2c1CC1CC21,1,GDB ChEMBL
379413,CCOCc1ncc(C(=O)CC)c(=N)n1C,1,GDB ChEMBL
49111,CCCC12CC1(CO)C(O)CC2C,0,GDB ChEMBL
232064,CC1CC2C(C)CCCCC23CCCCCC13,0,GDB ChEMBL
345811,CC1(OC=O)CC(C=O)NC1=O,1,GDB ChEMBL
90311,C#Cc1cccc(O)c1CC1COC1,1,GDB ChEMBL
94666,CC1(C)CCC2OCCc3c(F)cncc3C21,1,GDB ChEMBL
277562,COC(=O)CC1CS(=O)(=O)C1,1,GDB ChEMBL
29700,C[NH2+]CC1(C[NH3+])CCC(CO)CC1(C)C,0,GDB ChEMBL
115154,C=C1CCCC2CCCC(C)(C1)C2,1,GDB ChEMBL
174057,N#CC(N)(C(=O)[O-])C1(NC(N)=[NH2+])CC1,0,GDB ChEMBL
161023,COC(CO)C1CCC2CN(CC#N)C2C1,0,GDB ChEMBL
249491,NC(=O)C(N)CC([NH3+])C1CC([NH3+])CN1,0,GDB ChEMBL
348638,CC(C)C(C)Cc1ccc(F)cc1,1,GDB ChEMBL
280656,C[NH2+]C1CNC(C(C)O)C2OC12,0,GDB ChEMBL
300903,C#Cc1cc(O)c(C)c(CC)c1,1,GDB ChEMBL
301501,CCC1=CN(C)C(=O)CNC(=O)OC1,0,GDB ChEMBL
109174,CCCC=CC1CC2C=CC(C1)C2,1,GDB ChEMBL
106599,O=Cc1c(Cl)cc2c(c1Cl)CCC1CCN21,1,GDB ChEMBL
347039,CN1CC2(O)C([NH3+])COC(=O)NC2C1=O,0,GDB ChEMBL
214866,CCCC1CC#CC=CCC[NH+]1CC(C)=O,0,GDB ChEMBL
306306,CC1OC2CCOC1C(O)C2[NH3+],0,GDB ChEMBL
385629,N#C[C-](C#N)C(O)COS(N)(=O)=O,0,GDB ChEMBL
353551,CC1C2CCCC1C1(C)CCCCCC2C1,0,GDB ChEMBL
34876,C#CCCC(C)CCCC[NH2+]C,0,GDB ChEMBL
47664,N=C(OC(=O)CN)c1cocn1,1,GDB ChEMBL
318553,CC[NH+](C)CCC(N)=[NH+]CC=O,0,GDB ChEMBL
41292,C#CC(C#C)(CCC(C)C)Cc1ccccc1,1,GDB ChEMBL
299175,C1=CC2CCC3CC3[NH+]2CCC1,0,GDB ChEMBL
11372,CCn1cc(NC)n(C)c1=[NH+]CC(O)COC,0,GDB ChEMBL
37642,C[NH+]=C(N)OC1CCOCC1,0,GDB ChEMBL
288546,CNC1CC(C)[NH+](C2CCC3CCC2C3)C1,0,GDB ChEMBL
279233,C[NH2+]C(C(N)=O)C(O)C=O,0,GDB ChEMBL
288939,COCC1CC1c1ccnc(Br)c1,1,GDB ChEMBL
193254,CC(O)C1C(C)[NH2+]CCCOC1S(C)(=O)=O,0,GDB ChEMBL
173176,CC([NH3+])CC12CC1C(CO)[NH2+]CC2O,0,GDB ChEMBL
291460,CC(=O)NCC(CO)C(F)(F)F,1,GDB ChEMBL
328914,NC(=O)NC1C(O)CC(CO)C([NH3+])C1O,0,GDB ChEMBL
156132,Fc1ccc2c(c1)CCC1C[NH+]1C2,0,GDB ChEMBL
202823,CCC[NH+]1CC2C=C(C)C(C)C2C1C,0,GDB ChEMBL
78286,NC(=[NH2+])NC1C=CC(=O)NC1=O,1,GDB ChEMBL
93397,CCC1(C#N)CC=CC(C)C1,1,GDB ChEMBL
204803,CC#CCC(C)(C)OCCCC1CC(O)C1,1,GDB ChEMBL
203870,Cc1cc(O)cc(C(N)=O)c(CC[NH3+])c1=O,0,GDB ChEMBL
175670,CCN1C=CC2COC(C2)C(C)C(O)C1=O,0,GDB ChEMBL
204840,CC12CC1CCNC(C#N)(CC(=O)[O-])CO2,1,GDB ChEMBL
205951,CC(C)c1cc2c(c(I)c1C#N)C(=O)CCN2,1,GDB ChEMBL
46915,CC(O)CC1(C)CC(C)C(CCO)CO1,0,GDB ChEMBL
358458,C=CCN1CC2OC(=O)CC2C1=[NH2+],0,GDB ChEMBL
103879,O=C1NCC2(CC=CC2)O1,1,GDB ChEMBL
355153,C#Cc1nc(CO)oc(=N)c1NC(=O)COC,0,GDB ChEMBL
391689,CC1C2CCC3CNC2C[NH+]31,0,GDB ChEMBL
305505,Cc1ccc2c(c(C)[nH]c(O)n1)CCC(=O)O2,0,GDB ChEMBL
201369,CC1C[NH+](CCCC[NH3+])CC12OCC2C#N,0,GDB ChEMBL
136705,CCCC1(c2cccnc2)CC1(O)C#N,0,GDB ChEMBL
285542,CNC(=O)CCNc1c(F)c(F)c(F)[n-]c1=O,0,GDB ChEMBL
307894,CC1CC=CCC2CCCCC1C2C1CC1,0,GDB ChEMBL
181420,CCC#CC([NH3+])Cc1nc(C)sc1CO,0,GDB ChEMBL
38883,C[NH2+]C1CC(O)C2COC1(C(=N)OC)C(=O)O2,0,GDB ChEMBL
151773,NC(=O)c1cnc(NC=O)nc1O,1,GDB ChEMBL
83500,CC12OC1C[NH2+]C(C(N)=O)C1C(O)C12,0,GDB ChEMBL
234279,NC(=O)C1CC(NC=O)CO1,1,GDB ChEMBL
13178,C[NH+]=C(N)C1OC(=[NH2+])NC1CNC(=O)CCO,0,GDB ChEMBL
16016,CCc1c(C#N)nn2c1NCC2,1,GDB ChEMBL
378582,CC1[NH2+]C2C(O)C1C1C2C(=O)[N-]S1(=O)=O,0,GDB ChEMBL
9829,CNC(=O)C([NH3+])CCOC=O,1,GDB ChEMBL
342374,CC1(C(C[NH3+])CCCC#N)CC1,0,GDB ChEMBL
316286,COCC1C(O)C2NC1C(N)C2C#N,0,GDB ChEMBL
292539,CC1CC(C)(C(=O)[O-])[NH2+]C2CC12,0,GDB ChEMBL
26889,CC1CCCC(C(N)C[NH3+])C[NH2+]1,0,GDB ChEMBL
10962,CC1(c2cc(Cl)c(Cl)c(Cl)c2)CC1C=O,1,GDB ChEMBL
252671,C[NH+]1CC2CC(C1)C1CC1(C(N)=O)C2,0,GDB ChEMBL
6505,CCCN(CC)C1=[NH+]C(C)CN1,0,GDB ChEMBL
296072,C#CCCC(O)(CCCC=O)C(=O)CC(C)C,0,GDB ChEMBL
250536,O=C1Cn2nncc2C(CO)[N-]C(=O)N1,0,GDB ChEMBL
243898,CCC1CCC2CC=CC(C)C(C)CC12C,0,GDB ChEMBL
258322,[NH3+]CCC12CN(CCO1)C2,0,GDB ChEMBL
98643,CN1C2(C[NH3+])CC2NC(C(N)=O)CS1(=O)=O,0,GDB ChEMBL
24051,CCOC1(C)CC[NH+]=C1N,0,GDB ChEMBL
386578,COCC(C=CC[NH3+])C(=O)NC=O,0,GDB ChEMBL
370356,CCCCC#CCCC(C)=O,1,GDB ChEMBL
173962,COC(=N)OC1(C(CO)CC(N)=O)CC1,0,GDB ChEMBL
222539,CC(C1C[NH2+]1)C(CCO)C(N)=O,0,GDB ChEMBL
374005,CCC1C([NH2+]C)C(NCCC[NH3+])CC1(O)CO,0,GDB ChEMBL
66687,NS(=O)(=O)C1OC2CNCC1NC2=O,0,GDB ChEMBL
349631,CC1CC[NH+]2CC(CCCO)CCC3CC132,0,GDB ChEMBL
356484,CC1C2CC3CCC(CO)(C2)[NH+]31,0,GDB ChEMBL
26439,Cc1c2nc(O)nc(O)c2nn1C1CC[NH2+]C1,0,GDB ChEMBL
148486,CCC(N)C(=O)N(C(=O)CCO)C(C)(C)CO,1,GDB ChEMBL
254925,[NH3+]Cc1c[nH]c2ccsc12,1,GDB ChEMBL
70282,N#CCCCCc1nc([O-])cc(=O)[nH]1,0,GDB ChEMBL
116599,COCCCCn1ncc2c1C=CC2,1,GDB ChEMBL
393937,CC(C)(O)CCCNC(=O)C1(CO)C[NH2+]C1,1,GDB ChEMBL
363820,COC(CC=O)CNCC1CC(O)C[NH2+]1,0,GDB ChEMBL
40039,C[NH2+]C1C(OCC(N)=O)C2CC1(O)C2O,0,GDB ChEMBL
198624,C[NH+]=C(N)N(C)CCC(O)C[NH3+],0,GDB ChEMBL
392304,CCC12COCC(CCC=C1C(N)=O)[NH2+]2,0,GDB ChEMBL
239144,CN1C(=O)OC(CO)C1=O,1,GDB ChEMBL
4753,CCCC[NH+]1CCC2(C)CCC12,0,GDB ChEMBL
190040,CCCC1C(C)C=C2CCCC21C,0,GDB ChEMBL
308303,NC(=O)CC[NH2+]CC1OC(=O)C(O)C1N,0,GDB ChEMBL
320322,COCC1=CC(C)CCCC=C1,1,GDB ChEMBL
108107,CCCCc1cccc2c(C)c(Br)c(Br)cc12,1,GDB ChEMBL
317944,CC1CC2CC3CC=CCC(C3)[NH+]2C1,0,GDB ChEMBL
208448,CC(NC=O)C1C=CCCC1,1,GDB ChEMBL
305130,CC[NH+]1CC2COCC3CC4C(C41)N32,0,GDB ChEMBL
191362,CCC1([NH3+])C(OC(C)CO)=NCC1(C)C(N)=O,0,GDB ChEMBL
344386,CNC(=O)CC1(C(N)=O)CC(C#N)C1(C)N,0,GDB ChEMBL
112552,NC(=O)CNC(=O)n1cc(O)nc1N,1,GDB ChEMBL
70870,CC1=CCC(C)C1C1CCCCCC1,0,GDB ChEMBL
342391,NC(c1nocc1CO)C12CC1CNC2=O,0,GDB ChEMBL
303934,COc1nn(CC(=O)[O-])c(=O)o1,0,GDB ChEMBL
351328,CNc1cc(CNC=[NH2+])nc(C)n1,0,GDB ChEMBL
341891,CC([NH3+])CC(C[NH3+])CC1OC1CC([NH3+])CN,0,GDB ChEMBL
248654,CNc1cc[nH+]c(C2CCC2)c1,0,GDB ChEMBL
374057,C[NH+]=C(N)c1cnc(Br)cc1[O-],0,GDB ChEMBL
303872,C#CCCCOCCOC(=O)c1conc1N,1,GDB ChEMBL
157515,CCCC1CCCC(CC(C)C(C)C)C1,1,GDB ChEMBL
274171,CS(=O)(=O)NC1C2C(=N)NC(=O)C12N,0,GDB ChEMBL
197210,CC1C2c3ncc(O)cc3C3CC3N12,0,GDB ChEMBL
394274,CS(=O)(=O)CC1NC(C(=O)[O-])C1O,0,GDB ChEMBL
197497,CC#CC(C#CC)NC(=O)C(=O)NCC,0,GDB ChEMBL
33135,COC1CCC12CCN(C)C(=O)N2C,0,GDB ChEMBL
70978,COC1C([NH3+])C(=O)NC(C)(C(=O)[O-])C1(O)C[NH3+],0,GDB ChEMBL
61765,CC(C)CCC1CNC(C)(C#N)CCC(C)C1,0,GDB ChEMBL
40405,NC(=[NH2+])COC(=O)C1CC(O)(C(N)=O)C(=O)N1,0,GDB ChEMBL
53812,COCC1(C=O)OC(=O)CNC(N)=N[C-]1C#N,0,GDB ChEMBL
118437,C=C(CCC(N)=O)COC(=[NH2+])NC,0,GDB ChEMBL
252727,COC1C[NH2+]C2(CC2)C1CC#N,0,GDB ChEMBL
222095,CCC1C2C[NH2+]C3C=CC1C3(C)C2,0,GDB ChEMBL
112482,C#CC1(C(N)=[NH2+])CC1CNC(=O)NC(N)=[NH2+],0,GDB ChEMBL
290272,N#CC1CC(N)=[NH+]C1CN,0,GDB ChEMBL
169048,CCc1cc(CC[NH3+])c(CC)c(=[NH2+])c(C)c1O,0,GDB ChEMBL
391614,COCCC1COCOCC(C)C1=O,1,GDB ChEMBL
97775,CCC(C=CC(C=O)=N[O-])CC(=O)[O-],0,GDB ChEMBL
360991,N#CCC(=N[O-])c1nc(N2CC(O)C2)cs1,0,GDB ChEMBL
215842,CCC(C)c1cnc(=O)c(O)c(C[NH3+])c1CO,0,GDB ChEMBL
261356,C=CC1(C(CC)(CO)C(C)C)CC1,0,GDB ChEMBL
307501,CC1CN(C2C(=O)N(C)C3CC32)C(C)CO1,1,GDB ChEMBL
166470,O=C([O-])C1CC2C3CC(CO3)C2O1,0,GDB ChEMBL
284406,CC(=O)NCC(N)C1CN1C=[NH2+],0,GDB ChEMBL
352682,CCN1C(=O)CC(OC)C(CO)C=C1C=O,0,GDB ChEMBL
355827,CCC1(O)C(=O)NCCCNC1C#N,0,GDB ChEMBL
5017,[NH3+]C(C(=O)[O-])C1CC(CO)C1CO,0,GDB ChEMBL
118454,C#CCC(=O)c1occc1C,1,GDB ChEMBL
155092,CCC1N=C(NC(N)=[NH2+])C=CCNC1=O,0,GDB ChEMBL
127040,CS(=O)(=O)CC1CC(=N)N(C=O)C1,0,GDB ChEMBL
235185,NS(=O)(=O)OC1C(=O)OC2CCCOC21,1,GDB ChEMBL
137415,CN(C=N)C(=O)NC(C#N)C(=O)[O-],1,GDB ChEMBL
115606,C#Cc1cc(CCC)c(C(C)(C)C)c(C)c1F,1,GDB ChEMBL
302619,CCOc1cnc(CCC(N)=O)n1CC#N,1,GDB ChEMBL
384297,CCNC(Cc1nccc(N)n1)S(=O)(=O)[O-],0,GDB ChEMBL
13136,Cc1cc(Br)cc2c1CCCC(C)C2(C)CO,0,GDB ChEMBL
337378,Cc1cc(F)cc(C2CCC(=O)CC2C)c1C,1,GDB ChEMBL
373991,CCC(CO)N(C=O)CS(=O)(=O)NC,1,GDB ChEMBL
99701,CNC1=[NH+]CC(=O)OC(C)C(O)C1CC(N)=O,0,GDB ChEMBL
51055,CCC1CC1C1(C)C[NH2+]CCC1C,0,GDB ChEMBL
263798,Brc1cc2c(cc1Br)CC(CC1CC1)[NH2+]C2,0,GDB ChEMBL
140748,CCCCCOCC1(C)C=CC[NH+]2CC1C2,0,GDB ChEMBL
41587,COCC(N)=[NH+]CC1(C)OC(=O)CC1C#N,0,GDB ChEMBL
355011,CC1=CCC(CCC(C)(C)C)C(C)C1,0,GDB ChEMBL
185305,C#Cc1ccccc1CC(C#C)C#C,1,GDB ChEMBL
290506,C#CC([NH3+])c1cc(Cl)c(CC)c(CCC)c1Cl,0,GDB ChEMBL
363790,C#CCc1c(Cl)cc(CC)c(C#C)c1O,0,GDB ChEMBL
380258,C#CC([NH3+])C1CC(C([NH3+])C(=O)[O-])NS1(=O)=O,0,GDB ChEMBL
94890,C#CC(C#N)N(C=O)C(=O)CO,1,GDB ChEMBL
332484,CC1C2CC(C3C2CCC3(C)C)[NH+]1C,0,GDB ChEMBL
5890,C=C1CCC2(C)C1CCC2C(C)C,0,GDB ChEMBL
356851,CN1CC(O)C(O)C2(CC(O)CO2)C1=O,0,GDB ChEMBL
351291,CC(C)(O)C1CC(O)C(C2CCCC2O)CO1,0,GDB ChEMBL
365833,C#CCC[NH2+]C1CC(C)C(C)(C(C)CC#C)C1,0,GDB ChEMBL
84249,NC1=[NH+]C(CS(N)(=O)=O)CC1C(=O)[O-],0,GDB ChEMBL
34437,NS(=O)(=O)C1C(=O)CCC(=O)NCC1CO,0,GDB ChEMBL
310151,C#CC(C#N)CC1CC1,1,GDB ChEMBL
114795,CC#Cc1ncn2c1NCCC([NH3+])C2,0,GDB ChEMBL
235678,NC(=[NH2+])Nc1cnn2c1C(=O)OCC2,0,GDB ChEMBL
383697,N#CCC1C2[NH2+]CCC2C2OC12,0,GDB ChEMBL
160872,C#CC1=CC(C)C(CO)C(NC(C)=[NH2+])C1,0,GDB ChEMBL
225872,CC1CC=CCC2CCC3(CC3)CC12,0,GDB ChEMBL
140782,CCCC1CCC2CN2C1C#N,0,GDB ChEMBL
19352,CC(C)CCC1C=CC=CCCCC1,1,GDB ChEMBL
51381,Cc1cc(NC(C)CC#N)cc(Cl)n1,1,GDB ChEMBL
222812,CC(Cn1nc(N)cc1O)[NH2+]CCO,0,GDB ChEMBL
20097,CCc1cc(O)cc(C2(OC)CC(=O)C2)c1,1,GDB ChEMBL
27981,N#Cc1cn[nH]c(=O)c1[O-],0,GDB ChEMBL
183461,CCC[NH2+]C1(COC)CC=CC12CC2,0,GDB ChEMBL
259426,CC[NH2+]CCNC12C=CC(CNC1=O)OC2,0,GDB ChEMBL
259512,CC(C)C(C(C)c1ccc(Br)cc1)C(F)(F)F,1,GDB ChEMBL
172736,CC12OCCNC(=O)C1(N)C2C(N)=[NH2+],0,GDB ChEMBL
358419,C=C(CC)C(CCO)C(=O)NC=N,1,GDB ChEMBL
299587,C[NH2+]C12CC(C)[NH+]3C(C=CC3C1)C2,0,GDB ChEMBL
22566,CCCCN1CC(=O)C(CO)C(C#N)C1(C)C,0,GDB ChEMBL
165234,CC1COCC2[NH2+]C1C(O)C2OS(N)(=O)=O,0,GDB ChEMBL
230402,NC(=[NH2+])NCCOC=NCC(N)=O,0,GDB ChEMBL
87056,CNC(=O)CC1OCC(O)C2C(O)C12,0,GDB ChEMBL
120540,CN=C(Oc1ccc(Cl)c(C)c1)C(C)O,1,GDB ChEMBL
255095,CC#CC1(COC)C(C(C)C)C1C(C)CC,0,GDB ChEMBL
244618,C#CC1CC(C)=CCC(C(C)C)C1,1,GDB ChEMBL
146009,COC1C(C)C2C=CC1C(C[NH3+])C2,0,GDB ChEMBL
37118,CCC(C(C)C(C)CO)C(C[NH+](C)C)C(C)C,0,GDB ChEMBL
354829,CCC1CC2C(C1O)N2S(C)(=O)=O,0,GDB ChEMBL
215866,NC(C(=O)[O-])C1CC(C(O)CC(=O)[O-])[NH2+]1,0,GDB ChEMBL
18388,CC1CC2CC(C)(CCC1[NH3+])[NH2+]C2C,0,GDB ChEMBL
174286,CN(C(N)=O)C1(CCCO)C=CCC1,0,GDB ChEMBL
193764,COCC1CC(C)(C)C(=O)CNC12CC2,0,GDB ChEMBL
182907,CCCCC1(CC(C)(C)C)C(CC)C1(C)C,1,GDB ChEMBL
161809,CCC([NH3+])C1CC2(O)CCOC1C([NH3+])C2,0,GDB ChEMBL
174804,C=C(C(=O)[O-])N(CC(N)=O)C(N)=O,0,GDB ChEMBL
168445,CC(=CC=CCC(C)(C)C)C(C)C,1,GDB ChEMBL
54771,O=C1NCCC2OC2(C(=O)[O-])CN1,0,GDB ChEMBL
251441,Cc1cc(I)c(N)c(C(C)C)c1,1,GDB ChEMBL
237991,CC#CC1(C(F)(F)F)CO1,1,GDB ChEMBL
182295,CCC(C)n1nc(C)c(N)c1C(=O)OC,1,GDB ChEMBL
202535,C#CC=CCC(C)(C)C(C)CCC,1,GDB ChEMBL
348611,CC#CC(CNC(C#N)CNC)C(N)=O,1,GDB ChEMBL
79289,CC(C)OC1OC(C(=O)[O-])CC1O,1,GDB ChEMBL
162543,CCC(CC)NS(=O)(=O)CC[NH2+]CC1CN1,0,GDB ChEMBL
162505,NS(=O)(=O)CC([NH3+])C1COC1C(=O)[O-],0,GDB ChEMBL
304423,C#CCC(C)([NH3+])C(CC(F)(F)F)N(C)CCC,0,GDB ChEMBL
169406,[NH3+]C1CC[NH2+]CC2(O)C(=O)OC12,0,GDB ChEMBL
315213,CCC(C1CC1)C1C=CCC1C1CC1,0,GDB ChEMBL
216173,CNc1ncc2c(n1)C1(C)NC1C2,0,GDB ChEMBL
214014,C#CC[NH2+]C(CO)C1C(N)C1[NH3+],0,GDB ChEMBL
308235,CC#CCC1(c2ccc3cc[nH]c3c2)CC1,1,GDB ChEMBL
7817,C[NH2+]C1C2CNC(=O)CC(C)C(O)C(O2)C1N,0,GDB ChEMBL
53038,CC1NC(=O)C2C1OC(=O)[N-]S2(=O)=O,0,GDB ChEMBL
222160,C#CC(Nc1coc(C)c1)C(C)OCCC#N,1,GDB ChEMBL
99418,CCC(CC(O)COC)C1CC1C(C)[NH3+],0,GDB ChEMBL
391710,NC(N)=[NH+]CC1CCC1(C=O)CO,0,GDB ChEMBL
362646,C#CCC1CC1(C)CCOC,1,GDB ChEMBL
9777,C#CCCC(C)C1CC(C)CC(C)(CC)[NH+]1C,0,GDB ChEMBL
361815,N#CC(N)C1(C(N)=O)C(O)C1O,0,GDB ChEMBL
386705,CC(CC1C(=O)N2C(N)=NCC2C1[NH3+])NC=O,0,GDB ChEMBL
33122,C#CC1CC1CC(C)(O)CC(=O)N(C)C,0,GDB ChEMBL
198848,CC12CC(C(=O)NC(=N)N)C([NH3+])C1(N)CO2,0,GDB ChEMBL
333918,CCC(c1cn[nH]n1)c1cc(Br)cnc1N,1,GDB ChEMBL
235169,CC1CC=CCC2C1C(C)CCC2(C)C,0,GDB ChEMBL
304614,Cc1ccn(CC2CC2)n1,1,GDB ChEMBL
350288,COc1cc(C(C)(C)O)c(N)scnc(N)n1,0,GDB ChEMBL
87678,NCC(CO)(C(N)=[NH2+])C(O)C(O)CO,0,GDB ChEMBL
260539,CC1=CC(CCO)C2CC(C1)C(C)(O)C2,0,GDB ChEMBL
394933,CC1CC(C#N)C(C)(C)C1NC=O,1,GDB ChEMBL
301180,CNC(=O)C1(CO)CC(O)C(C)C1=O,0,GDB ChEMBL
43527,O=c1ccnc([O-])cc1O,0,GDB ChEMBL
45972,O=C([O-])C1NC2COCCC21O,0,GDB ChEMBL
99391,CC(C)CC1C=CCC(C)(C)C2(CC2)[NH2+]1,0,GDB ChEMBL
215472,C#CC1CC(CO)(CCC)C1,1,GDB ChEMBL
132535,C=C(C)CCC(C)=CCC(C)CC,0,GDB ChEMBL
355773,CCNC(=O)C(CC(=O)[O-])C(C)=NO,1,GDB ChEMBL
94878,CCCCC(=CC1CC1)CCCC,1,GDB ChEMBL
380317,CC(c1ccc(O)cc1N)C(C)(C)CO,0,GDB ChEMBL
11359,C#CC[NH2+]C(C#CC#CCO)CC,0,GDB ChEMBL
228386,C#CC(c1nc(C(N)=O)sc1N)C(O)CC[NH3+],0,GDB ChEMBL
62010,CC12C([NH3+])C(CO)C(=O)N1C2C#N,0,GDB ChEMBL
288631,NC1(C(=O)[O-])CC(CNC(=O)C[NH3+])NCC1[NH3+],0,GDB ChEMBL
31044,CC1CC1CC(C)[NH+]1CCC1,0,GDB ChEMBL
210946,CCC(O)C(CO)C(N)(C#N)C(C)(C)CO,0,GDB ChEMBL
46878,CN(C)C(=O)NC(=N)COc1cc[nH]c1CO,1,GDB ChEMBL
397104,CCC1CC(=O)C(O)C2[NH2+]CCC12,0,GDB ChEMBL
33574,CC1(C)OC(C(N)=O)C(C(=O)[O-])O1,0,GDB ChEMBL
358820,N#CC1(N)CC2[NH2+]C(C(=O)[O-])C1(O)C2C[NH3+],0,GDB ChEMBL
104949,CCC1(Cc2cc(O)cc(Br)c2N)CO1,1,GDB ChEMBL
333851,CCCCC(C)(C)C(C)(C)CC(C)C#N,1,GDB ChEMBL
334582,CNc1nccc(C(N)=O)c1I,1,GDB ChEMBL
328874,C=CC(CC(C)O)CC(CC)CC,1,GDB ChEMBL
316267,CC1(O)CC(=O)c2ccc(F)c(N)c21,1,GDB ChEMBL
265288,CC1CCCC2CCC=CCCC12C,0,GDB ChEMBL
379182,CCCc1c(Br)cc2cc(C)c(Br)cc2c1C,1,GDB ChEMBL
135419,C[NH2+]C1C(=O)N(C=O)C(C)C(=O)OC(=N)C1O,0,GDB ChEMBL
252605,C#CC1C[NH2+]CC1(CC[NH3+])C(=O)[O-],0,GDB ChEMBL
73876,CCCCOCC(C#N)NCCC=O,1,GDB ChEMBL
112442,CC1=C(C)CN(C(N)=[NH2+])C1,0,GDB ChEMBL
300229,COC(=O)C1NC(=O)N2CC3C(CO)C3C12,0,GDB ChEMBL
28332,CCC1C(C)C[NH2+]CCC1C1CC1,0,GDB ChEMBL
104482,C#CC1C2CC(C)C1(O)CC[NH+](C)C2C,0,GDB ChEMBL
60621,Cn1nnc2cc(Cl)c(CCC=O)cc21,1,GDB ChEMBL
394233,[NH2+]=C(COC=O)N(CC[NH3+])CCO,0,GDB ChEMBL
119971,C[NH+](C(C)(C)C)C1(C)CCCCC1,0,GDB ChEMBL
330537,COCCOc1cc(=O)oc(N)c1CC(C)C,0,GDB ChEMBL
304844,COC1CCC(=O)C(C)(O)C1(C)CCO,0,GDB ChEMBL
264951,CC1CCCC1=CNC(=O)C1CC1,0,GDB ChEMBL
281006,COCC(C)(C[NH3+])N1C=[NH+]C(C)CC1,0,GDB ChEMBL
141945,CC#CC(CC#N)C(C)COCCCC=O,0,GDB ChEMBL
81591,COC(=N)NC(N)=[NH+]CCCOC(C)C=O,0,GDB ChEMBL
148941,COC1(C)CC(N)=[NH+]C2C(O)CC(C)C21,0,GDB ChEMBL
370327,COC12CC(C[NH+](CC(C)O)C1)C(O)C2[NH3+],0,GDB ChEMBL
343997,NC(=O)CC1C2C(C[NH3+])CS(=O)(=O)N12,0,GDB ChEMBL
81564,Cc1c(Cl)ccc(C(C)CC2(C)CC2)c1C,1,GDB ChEMBL
244301,COCC[NH2+]CC1NCC1(N)CS(N)(=O)=O,0,GDB ChEMBL
132562,CC([NH2+]CCO)C1C[NH2+]C2CCS(=O)(=O)C21,0,GDB ChEMBL
365803,CC(C)C1OC2(CO)CC1C2,0,GDB ChEMBL
27945,CC(C)[NH2+]CC1CCCOC1,0,GDB ChEMBL
153273,CC1[NH2+]C2CC(CO)CC1(CNC=O)C2,0,GDB ChEMBL
264008,C#CC(C)(Cc1ccc(C)cc1Cl)C(C)C,1,GDB ChEMBL
37311,CC[NH2+]C(c1cnsc1CC)C(C)CCC[NH3+],0,GDB ChEMBL
48155,[NH3+]C1CCCC2CCOCC2C2OC12,0,GDB ChEMBL
387297,CNC(=O)C1=NCCCN1C=NCCC(=O)[O-],0,GDB ChEMBL
260585,[NH3+]CCOCC([NH3+])C(O)Cn1nccn1,0,GDB ChEMBL
298228,CC(=[NH2+])NC1CCCCCOCC(O)C1(C)O,0,GDB ChEMBL
24526,C#Cc1c(C[NH3+])cc(C[NH3+])c(OC)c1CO,0,GDB ChEMBL
302590,CCC1(C)C([NH3+])C2CCNC(=O)C1(C)C2,0,GDB ChEMBL
187248,NC(=O)C1CC1C(OC=O)C(=O)[O-],1,GDB ChEMBL
92914,C[NH+]=C(NCC(C)=O)NCc1cccnc1C,0,GDB ChEMBL
362332,C[NH+]1CC2CC(O)C1(C)C(N)C(C)(C)C2,0,GDB ChEMBL
8684,CC1N(C(=O)NC(N)=O)CC(=O)OC12CC2,1,GDB ChEMBL
17325,CC=CCCC1(C(C)C)CCCC1,1,GDB ChEMBL
302617,CCC1(CCC[NH3+])C[NH+]=C(N)C1OC(C)(C)C,0,GDB ChEMBL
314909,CC(O)CC1CC([NH3+])CC(C(O)CO)[NH2+]1,0,GDB ChEMBL
225454,C[NH+](C)CC(O)C(=O)NC(N)=O,1,GDB ChEMBL
76761,CCC1CC(C)C2C1N2C=O,0,GDB ChEMBL
93441,CCN(C(C)C)C(C=O)C(N)=O,1,GDB ChEMBL
17627,CCC(=O)C1C=CCCC=C1,1,GDB ChEMBL
115743,CC1=C(CO)CC(O)C1(C)C(N)=O,0,GDB ChEMBL
382974,O=C1CCCN(Cc2ccno2)C1=O,1,GDB ChEMBL
284013,COC1(CS(C)(=O)=O)CNC(N)=[NH+]C1,0,GDB ChEMBL
98576,CC1=C(C)CC(O)C(C)C1,1,GDB ChEMBL
315175,CCCCC1C2CC(C(C)CC)C(C)(C2)C1C,0,GDB ChEMBL
23538,C[NH+]1C2(CO)CC3C(C2)C31C,0,GDB ChEMBL
300443,CC1(C(CCC(F)(F)F)=NO)CCCC1,1,GDB ChEMBL
377324,COC(=O)c1c(Br)nnc(N(C)C)c1O,1,GDB ChEMBL
148493,CCC1[NH2+]C2CC(O)C1(C)C2,0,GDB ChEMBL
155150,N#CC1C(=O)CC=CC1NCc1nn[n-]n1,0,GDB ChEMBL
210412,CC1CCCCC2CC3C(C2)[NH+]13,0,GDB ChEMBL
334351,CC(C[NH3+])CC12CC(O)CCC1(C(N)=O)C2,0,GDB ChEMBL
219528,CC(O)C1OCC2(C(N)=O)CNC(=[NH2+])C12,0,GDB ChEMBL
338991,CC[NH2+]CC#CC(=O)CC(C)(C)COC,0,GDB ChEMBL
34226,CCc1sc(C)nc1C1=NC(C)CCC(C)N1,0,GDB ChEMBL
229437,NC12CC(C(=O)[O-])[NH2+]C1CC2CS(N)(=O)=O,0,GDB ChEMBL
45913,N=C1OC(=O)CC(C(O)C(N)=O)NCC1C=O,0,GDB ChEMBL
55540,CCC(C)C1C2CC[NH+]1CC2,0,GDB ChEMBL
192574,CCC1C[NH+](CCO)CC2C([NH3+])C2(C)C1,0,GDB ChEMBL
254201,CNS(=O)(=O)CCC(O)C(N)C[NH3+],0,GDB ChEMBL
331748,COc1cnc(C(N)=O)n1C,1,GDB ChEMBL
171345,COCC1C(C)C=CC1C#N,1,GDB ChEMBL
132198,C#CC(CCO)=C(C#C)CC(C)C,0,GDB ChEMBL
201659,COC(=O)C1=CNCC1C(C)(C)NC(N)=O,0,GDB ChEMBL
294478,CC(C)CC(C)CC1C(CO)C1C(C)O,1,GDB ChEMBL
104918,Nc1ccc(S(=O)(=O)[N-]C=O)nc1,0,GDB ChEMBL
133194,C[NH2+]CC(O)C(N)(C#N)C(=O)OCC(C)O,0,GDB ChEMBL
324282,CCNC(=O)NC1C[NH2+]CCC1COC(C)=O,0,GDB ChEMBL
241115,C[NH2+]C1CCNS(=O)(=O)OCC1=O,0,GDB ChEMBL
13866,CCC1(C)C2CC(OC)C(C)C1C(C)O2,0,GDB ChEMBL
207725,N#CC1CC1c1n[nH]cc1Cn1cccc1,1,GDB ChEMBL
358230,Cc1nc(NCC(N)=O)sc1C(N)=O,1,GDB ChEMBL
191530,CC1(CCCO)CCC1c1ccccc1,1,GDB ChEMBL
208246,C#CC(COCCC(C)C)CC(F)(F)F,1,GDB ChEMBL
300922,CNC(=O)OC(CO)C1OCC2NC2C1O,0,GDB ChEMBL
227268,N=C1NCC(=O)N1C1CC1O,1,GDB ChEMBL
151054,CC1COCC(N(C)C(=O)C(=O)C(=O)[O-])C1C,0,GDB ChEMBL
322841,NC(=O)OC1C2[NH2+]CCC(O)C21,0,GDB ChEMBL
385596,CC(C)C1([NH3+])CCC(O)C1,0,GDB ChEMBL
367832,Cc1ccc2c(c1F)CCN2C,1,GDB ChEMBL
124215,CCC1(CCN2CC(=N)OC(=O)C2)CC1,1,GDB ChEMBL
160843,Cn1cc(O)c(C#N)c(N)c1=O,1,GDB ChEMBL
122946,N#CC1C2OC(C(=O)[O-])C(O)C12O,0,GDB ChEMBL
354095,CC(=[NH2+])NCC1CC([NH3+])C(N)C1C(C)O,0,GDB ChEMBL
173712,CC([NH3+])CS(=O)(=O)N1C(CO)C1C(N)=O,1,GDB ChEMBL
305225,CC(C)N1CC([NH3+])CC2(CC2)C1(C)C#N,0,GDB ChEMBL
287324,C#CC(=O)N(C=NC1CC1)CC(C)C,0,GDB ChEMBL
377759,CCCC(CC)C1C=CCC(CC)C1,1,GDB ChEMBL
16759,C#CCC(CC)(C(C)C)C(C)CNC(C)=O,0,GDB ChEMBL
355783,C#CCC1(C)C(C)CC(C)[NH2+]C(CCC)C1C,0,GDB ChEMBL
299567,Cc1cc(Br)c2c(c1)C(C)C1([NH3+])CC21,0,GDB ChEMBL
174639,CCCC(O)C(O)C1[NH+]=CNC1C(C)C,0,GDB ChEMBL
244348,CCC1(C)C[NH+]2CCCCCC(C(C)[NH2+]1)C2C,0,GDB ChEMBL
176516,CN(C)C(C)(C#N)CC1CC1[NH3+],0,GDB ChEMBL
257422,CCC1CC[NH+]2CC(C)=CC1C2C(C)(C)C,0,GDB ChEMBL
126956,CC1CC2CC1([NH3+])C(C(C)(C)C)C(=O)N2,0,GDB ChEMBL
307882,CCC1(C([NH3+])C(N)=O)OCC(C)C1(C[NH3+])NC,0,GDB ChEMBL
160375,NC(=[NH2+])NC1CN(C(=O)C(=O)C=O)C1,0,GDB ChEMBL
70818,CCC[NH2+]CC1C(O)CNC(=[NH2+])N1C,0,GDB ChEMBL
95919,CC(C)(NCC1(CO)CCC(=O)C1)C(F)(F)F,1,GDB ChEMBL
274172,C=CN1CC(C)NC(C(=O)[O-])C1=O,0,GDB ChEMBL
277558,C#CC1(COC)CCC2C(C)C1CC2(C)C,0,GDB ChEMBL
203540,CC(C[NH3+])(OC(=[NH2+])NCC1CCC1)C(N)=O,0,GDB ChEMBL
133161,Cc1cc(O)c2c(n1)OC(=O)N[C-]2C#N,0,GDB ChEMBL
83010,CCc1nccc(Br)c1C(=O)C(C)(C)C#N,1,GDB ChEMBL
382978,CCC(C)(C)C1CN1CC(O)CC(C)[NH3+],0,GDB ChEMBL
12752,CC(C)CC[NH2+]CCC[NH3+],0,GDB ChEMBL
311331,C#CC(CC(O)(C=C)CO)C(C)=O,1,GDB ChEMBL
355438,CC(C)C(O)c1ccsc1,1,GDB ChEMBL
240828,NC(=[NH2+])NC1C2C(=O)C(O)CC12CC(=O)[O-],0,GDB ChEMBL
346842,CC1CCCC2CCCCC(C)CC2(C)CC1,0,GDB ChEMBL
136038,CCCc1cccc2c1CC(C)(C)C2C(C)C,0,GDB ChEMBL
337768,CCCC(CC)C(N)(C(F)(F)F)C(C)(C)C#N,0,GDB ChEMBL
217372,CC([NH3+])CCC1=CC(C)[NH+](C)C1,0,GDB ChEMBL
271142,O=C1C=CCC2C(CCCO1)C[NH2+]C21CC1,0,GDB ChEMBL
126901,CCOC(=N)N1C(N)=[NH+]CC(=O)NCC1(C)C,0,GDB ChEMBL
214440,Nc1cnc(CC[NH3+])ccc1=O,0,GDB ChEMBL
297271,C#CC1([NH2+]CC(CC)CC)CC(C)CC(C)C1,0,GDB ChEMBL
354563,Cn1ccccc2ccc(cccc1)CC2,0,GDB ChEMBL
5897,C#CCCN(C)c1cc(C#C)cn1C(C)C[NH3+],0,GDB ChEMBL
311653,[NH3+]CCC(=O)OCCC1(C(=O)[O-])CC1,0,GDB ChEMBL
184142,O=C([O-])C1C2C(=O)C(CO)C(O)C(=O)N12,0,GDB ChEMBL
84549,N#CCCOc1cccc(OS(N)(=O)=O)n1,1,GDB ChEMBL
141707,CCCC1CC(CC(C)C)C(C)C(C(C)C)C1,0,GDB ChEMBL
115601,CC1C=C2CCC3C(C)CC([NH3+])CC23C1,0,GDB ChEMBL
355421,CCC(C)C1CCOC1CC1(C)CCC(O)C1,0,GDB ChEMBL
252624,Cc1ccc(CC(C)C)c2cc(Br)cc(Br)c12,1,GDB ChEMBL
160351,CCC1([NH3+])C(C(N)=O)C(C[NH3+])C(N)C1(C)CO,0,GDB ChEMBL
12870,CC1CC2C3CC(c4ccc(Cl)cc43)C12,0,GDB ChEMBL
351437,C#CCC([NH3+])C(CC)C1(C)CCC(C)CC1C,0,GDB ChEMBL
260591,CCCCCC12CC(C)CC1CC(C)C2,0,GDB ChEMBL
23474,CCC1NC(=[NH2+])CN(C=O)CC1C,0,GDB ChEMBL
337959,CCCC(C[NH3+])c1c[nH]nc1N,0,GDB ChEMBL
377956,CCc1cc2c(oc1=O)CC1CCCCC21C,0,GDB ChEMBL
322940,OCc1cc(O)cc2cc(F)ncc12,1,GDB ChEMBL
184927,CCC1COC2CC(C1)[NH2+]C2(C)CC,0,GDB ChEMBL
382544,CC1C2CC[NH+](C)CC2=CC2C=CC1C2O,0,GDB ChEMBL
379896,CC(C)(C)COc1c(N)ccc(I)c1O,1,GDB ChEMBL
255450,CN=CNC(=O)OCC([NH3+])C(C)O,1,GDB ChEMBL
53091,N=C1CC2(COC(=O)N1)NC2C(=O)[O-],0,GDB ChEMBL
124797,CCN=C(N)NS(=O)(=O)CC#N,1,GDB ChEMBL
304891,CCCC1CC2CCC(C2)C1(C)[NH+]1CCCC1,0,GDB ChEMBL
83542,CCN1CCC(O)CCc2ncc(cc2I)C1,1,GDB ChEMBL
151256,CC12CC[NH+](C3CCCC31)C21CC1,0,GDB ChEMBL
18343,CC1OC(=NCCO)C(C#N)C1C(C)(C)C,0,GDB ChEMBL
170468,CN(C(=O)C(O)C[NH3+])C1COC1(C)C#N,0,GDB ChEMBL
34977,Cc1ccc(Cl)c(Cl)c1C(C)C1CC1,1,GDB ChEMBL
13154,O=C(Cc1cnccc1F)N1C=CCC1,1,GDB ChEMBL
68620,C#CC([NH3+])(C(C)CO)C(O)C(=O)[O-],0,GDB ChEMBL
372501,CC1C(C(=O)[O-])C(O)CN1S(C)(=O)=O,0,GDB ChEMBL
222589,CC(C)Nc1c(N)cccc1Br,1,GDB ChEMBL
318752,CC1(C)C([NH3+])C(C(N)=O)C(O)C1CNC(N)=[NH2+],0,GDB ChEMBL
189775,CC(O)C1NC1C(O)C[NH3+],0,GDB ChEMBL
99835,CCC1CCC2CC=CC(CC(C)[NH3+])C1C2,0,GDB ChEMBL
256193,C#CC(Cc1ccncc1CC)CC(C)(C)[NH3+],0,GDB ChEMBL
240394,CC1C2CC(NC3CCC[NH+](CC3)C2)C1[NH3+],0,GDB ChEMBL
81102,C[NH2+]C1C=CC2CCC(C)CC1C2,0,GDB ChEMBL
277829,C[NH+]1CCC(C=C2CCCC2)CC1,0,GDB ChEMBL
354843,C#Cc1c(CC)cc(CC)c(O)c1Br,1,GDB ChEMBL
116403,CCC1NCC(NC(N)=[NH2+])C(O)C1[NH+]=C(N)N,0,GDB ChEMBL
221366,C#CC(C#C)(C#C)CC(C)OC,0,GDB ChEMBL
347989,Cc1noc(CNC(N)=O)c1CC(=[NH2+])N(C)C,0,GDB ChEMBL
235670,CCC(=O)C(C=O)NC,1,GDB ChEMBL
215291,CNC(=O)NC(=[NH2+])NCCC=O,0,GDB ChEMBL
33180,CC1(C2NC(C(N)=O)CC2[NH3+])NCC1O,0,GDB ChEMBL
354407,CCCCC1(C#N)OC1C(O)CC(=O)[O-],1,GDB ChEMBL
115887,CCN1C(=O)OC(C)OC1=O,1,GDB ChEMBL
301186,N#CC(O)(CCOCC(=O)[O-])C(=O)[O-],0,GDB ChEMBL
349487,C#Cc1cc(C)c(Cl)cc1CC[NH3+],0,GDB ChEMBL
337954,CCCCc1cscc1C(F)(F)F,1,GDB ChEMBL
6851,CC1OC(C(=O)[O-])OC(=[NH2+])NCCC(O)C1[NH3+],0,GDB ChEMBL
280613,C[NH2+]C1(C(C)C(=O)C(=O)[O-])CC1,0,GDB ChEMBL
242630,COc1c(I)cc(I)cc1CC(CO)OC=O,1,GDB ChEMBL
183435,CC1[NH2+]C2CC1C(C[NH3+])C([NH3+])C2O,0,GDB ChEMBL
379904,COC1CN2C(CC#N)C2C1CO,0,GDB ChEMBL
398747,CC1CC2CC=CC(C[NH2+]2)C1C,0,GDB ChEMBL
312501,C=CC1CC[NH+](C)C2CC2(CO)O1,0,GDB ChEMBL
36175,NC(=O)CC([NH3+])CC(=O)[O-],1,GDB ChEMBL
91211,CCC1=CCCCC2C1CCCC(C)C2O,0,GDB ChEMBL
99073,N#CC1=C(COCC[NH3+])NC(=O)C1C(N)=[NH2+],0,GDB ChEMBL
87054,NC(=O)C1C2NC(=O)C1C(O)C2O,0,GDB ChEMBL
255963,CCC1=CCOCC(C2OCCC2CC)C1,0,GDB ChEMBL
249860,CCc1cc[nH]cc(N)c2ccoc2c1C,0,GDB ChEMBL
53311,CC(C)CC[NH2+]CC1CO1,0,GDB ChEMBL
12847,NC(=O)C(N)C1NCC(O)CC1[NH3+],0,GDB ChEMBL
61760,CCCCC1(CC2=CCC3COCC23)CC1,0,GDB ChEMBL
340112,C[NH2+]C(C(=O)C1(CCO)CS(=O)(=O)[N-]1)C(C)O,0,GDB ChEMBL
345415,CCCC1CC2CC1C1CCCCC1(C)C2C,0,GDB ChEMBL
180060,NC(=O)C1CC([NH3+])C(O)C(O)C1C[NH3+],0,GDB ChEMBL
330165,NC(=O)C1(CO)CC(=O)OCO1,1,GDB ChEMBL
156740,CCC(=O)CC1(COC)CO1,1,GDB ChEMBL
29218,C#Cc1cc(F)c(F)cc1CCCC,1,GDB ChEMBL
124814,COCC(C#N)CC(N)=[NH2+],0,GDB ChEMBL
160815,COC1CC23CCC([NH3+])C(O)C2N3C1CO,0,GDB ChEMBL
391720,CCCC(O)C1[NH+](C)C(C)C1(C)C=O,0,GDB ChEMBL
168423,O=C1COCCC2(O)C(N1)C(O)C2C(=O)[O-],0,GDB ChEMBL
135376,Clc1cccc2c1C1CC13C=CCCC23,0,GDB ChEMBL
385431,CC1CC[NH+](C2CC3CCCC2(C)CC3)CC1,0,GDB ChEMBL
251436,CCCC1CC(C)(O)CCC(C)(CO)C(=O)O1,0,GDB ChEMBL
134005,C[NH+]=c1[nH]cc(C)c2ccccc12,1,GDB ChEMBL
118826,[NH2+]=CNC1=NC(C(=O)[O-])CC(O)CO1,0,GDB ChEMBL
191366,CC(CCC(N)=[NH2+])C1(C)COC(=O)C(O)C[NH2+]1,0,GDB ChEMBL
155143,CCCC#Cc1nn(C)nc1C(=O)[O-],0,GDB ChEMBL
157467,CCC(=O)N1CCOCC2(CNC2=O)C1C,0,GDB ChEMBL
257502,CCC(C[NH2+]C)c1ccc(C(C)C(C)=O)cc1,0,GDB ChEMBL
156192,CN1CC2(C)OCC1C2NS(C)(=O)=O,1,GDB ChEMBL
39812,CCC1C2C[NH2+]C(C)(C)C1CC(C)C2,0,GDB ChEMBL
143825,O=C1C(O)C2Cc3cc(Cl)c(Cl)cc3NC12,0,GDB ChEMBL
7821,CCn1c(C(=O)OC)c(C)[nH]c1=[NH2+],1,GDB ChEMBL
358864,CC1CC2(CO1)CC2(O)C(=O)[O-],0,GDB ChEMBL
41112,CC1OC1C1CCCCCC1,1,GDB ChEMBL
185336,C[NH2+]C1(C)CC(C)CC1CC1CC=CC1,0,GDB ChEMBL
382115,COCC1C(=[NH2+])NCC1NS(C)(=O)=O,0,GDB ChEMBL
308261,COC1CC(C)[NH+]2CCC([NH3+])C2C1,0,GDB ChEMBL
42254,CNS(=O)(=O)C1CC(OC)C2N3C(=O)NCC213,0,GDB ChEMBL
318169,C#CC([NH2+]C)C1(CCC(C)OCC)CCCC1,0,GDB ChEMBL
31347,CC(O)C1CC(C#N)CC(O)(CO)C(C[NH3+])N1,0,GDB ChEMBL
360811,Cc1ccc2c(c1Br)CCCC#CCC2,1,GDB ChEMBL
365710,CC1[NH2+]C(CC(=O)[O-])C23CCOCC2C13O,0,GDB ChEMBL
82135,CCC1CC(=O)C(O)C[NH2+]1,0,GDB ChEMBL
146953,CC(=O)C1C#CC2CCCC(CN1C)[NH2+]C2,0,GDB ChEMBL
319827,CNC1=NC(CC(=O)[O-])C(C(N)=O)O1,0,GDB ChEMBL
69623,CC1[NH2+]CCCC2C=C1C(=O)NCC2,0,GDB ChEMBL
286995,CC1CC(C)(O)C([NH3+])C2C(C(=O)[O-])[NH2+]CC12,0,GDB ChEMBL
380360,NS(=O)(=O)C1C(O)CC2C(=O)NC(CO)C21,0,GDB ChEMBL
294237,CC=C(C)c1c[nH+]ccc1NCC,0,GDB ChEMBL
196751,C[NH2+]C(CC[NH3+])Cc1ccn[nH]1,0,GDB ChEMBL
17295,CC12CC[NH2+]C1CCCCC2C[NH3+],0,GDB ChEMBL
175544,CN1C2COC3C4C(=O)NC(C42)C31,0,GDB ChEMBL
295927,Cc1cc(Cl)c(C(C)C)c2c1C(C)(C)CC2,1,GDB ChEMBL
199466,CN1C(=O)C(CO)S(=O)(=O)NC2CC21,0,GDB ChEMBL
44971,CC1(C)CCCC1(C)c1ccc(I)cc1,0,GDB ChEMBL
50980,[NH3+]CC(C[NH3+])NC1C(O)CC2OCCOC21,0,GDB ChEMBL
308272,CCCCOC(C=O)COC,1,GDB ChEMBL
375532,C[NH2+]C(C=O)Cc1ccc(C)s1,1,GDB ChEMBL
84494,CCNc1cc(C[NH2+]C)[nH]c1C,0,GDB ChEMBL
8641,CCC1C=CC2(C)NC2C1CC(=O)[O-],0,GDB ChEMBL
127153,COCCc1ncnc(=O)sc(C)ccc1O,0,GDB ChEMBL
338945,[NH3+]CCC1CC([NH3+])C(O)C2OC12,0,GDB ChEMBL
391674,Cc1c[nH]c(=[NH2+])cc1CCNCC[NH3+],0,GDB ChEMBL
287369,C#CC1CC1c1c(Br)cc(C)c(CC)c1C,1,GDB ChEMBL
64101,C#Cc1cc(C)c2c(c1)CC(C)CC(C)C2C,0,GDB ChEMBL
179283,CC1CC2(CCOC2)C1,1,GDB ChEMBL
23909,CC([NH3+])C(CO)C1OC1CO,0,GDB ChEMBL
33256,CC(C)(C)C[NH2+]CC1CCCCC[NH2+]1,0,GDB ChEMBL
175575,COc1nc(C=O)ncc1C#N,1,GDB ChEMBL
76696,CN1C(=O)OC2(CC=CC2)CC1CO,1,GDB ChEMBL
222586,C#CCc1ccc(Cl)c(Cl)c1CCC,1,GDB ChEMBL
285745,COC1C2C(C)CCC(C)(CC(C)O)C12,0,GDB ChEMBL
34802,CC1CCCC2CC(C1)C1C2CCCC1(C)C,0,GDB ChEMBL
195560,Clc1cc2c(cc1Cl)NCC#CCC=C2,1,GDB ChEMBL
47236,CC(C)CCC(C)CCOC1CC1[NH3+],0,GDB ChEMBL
257544,CCC(C)C(OC)c1c(F)ccnc1C,1,GDB ChEMBL
275570,CCOCC(C)(O)C1CC1(C)C,1,GDB ChEMBL
126954,CCCC(=NCC=NO)N(CC#N)C(C)=O,0,GDB ChEMBL
354731,CCCCC1(C)CCC2C(C)CC1C2(C)C,0,GDB ChEMBL
210278,N#CCCc1cc2c(c(Cl)n1)C(=O)CC2,1,GDB ChEMBL
95585,N#CC1(N)C(O)C1C(N)=[NH+]CC(=O)[O-],0,GDB ChEMBL
174946,CCCN(C)c1ncc(N)c(NC)n1,1,GDB ChEMBL
188123,C#CC#CCCC(=O)N(CC)C1CCCC1,1,GDB ChEMBL
391294,CCC1CC2(C)C(C)CC(C)C2C1C(F)(F)F,0,GDB ChEMBL
359135,CCn1ccc(C(O)c2ncnc(C)c2N)n1,1,GDB ChEMBL
337422,CCCCC1CC2C(C)(CC)C2(C)C1,0,GDB ChEMBL
210264,CCOC(CO)C1CS(=O)(=O)CC(OC)O1,1,GDB ChEMBL
5283,CC(C)(O)CN1CCn2c1nc(N)nc2=O,1,GDB ChEMBL
260533,CCC=CC1NCC(CO)CC1=O,0,GDB ChEMBL
271811,CCC(CC=O)N(CC#CCO)S(C)(=O)=O,1,GDB ChEMBL
281212,N=C1NC(=O)OC1C([NH3+])C(=O)[O-],1,GDB ChEMBL
180996,N#C[C-]1C(=O)NC(=O)[N-]C1(C#N)C(C[NH3+])C[NH3+],0,GDB ChEMBL
41085,COCC(C[NH3+])NCCc1n[nH]c(=O)[nH]1,0,GDB ChEMBL
91197,CC1CC(C)(C)C2CC([NH3+])C1C2,0,GDB ChEMBL
357621,CC(C)CC(C(C)C)C(C)C1CCC(C)(C)C1,0,GDB ChEMBL
73829,CCCC12CCCC([NH2+]C1)C(C)C2O,0,GDB ChEMBL
190539,CC(=O)C1(C)CC(C)(CO)COC(=O)CCO1,0,GDB ChEMBL
274033,CNC(=[NH2+])N(CC(C)=O)Cc1cnsc1,0,GDB ChEMBL
301419,CNc1nc(C#N)c(Cl)c(C=O)c1C,1,GDB ChEMBL
382190,CC(=O)N1C(CO)C(O)C([NH3+])C2(N)CC12,0,GDB ChEMBL
95904,CC(C)C(C=O)=CCOCC(=O)[O-],1,GDB ChEMBL
332380,C#CC(=O)C1CCC=C(C)CC1,1,GDB ChEMBL
238190,CC[NH2+]CCN(C)CCC(C)(N)S(N)(=O)=O,0,GDB ChEMBL
6140,CCC(OC)C(C)N1CC1,1,GDB ChEMBL
124264,C[NH2+]C1CC(=O)C1c1ccsc1,0,GDB ChEMBL
337420,NC1C[NH2+]CC=CC(O)(CC(CO)CO)C1,0,GDB ChEMBL
304316,COC1C(C)[NH2+]CC2CC2C1C[NH3+],0,GDB ChEMBL
21839,CCN1CC1CC(O)C1CC1,1,GDB ChEMBL
89349,CCCC(C[NH2+]C)C(C)(CC1C[NH2+]1)OC,0,GDB ChEMBL
140390,CCC1CC1(C(O)C[NH2+]C)[NH+](C)C,0,GDB ChEMBL
121699,CCC1C(O)C(C)[NH2+]CC2OC21,0,GDB ChEMBL
40315,C#CCC1=CCCCCC=C1CCC,1,GDB ChEMBL
95593,C[NH2+]C1CCC[NH+]=C(N)C1O,0,GDB ChEMBL
151058,C#CC(C)(CC[NH3+])NC1C(C)C[NH2+]C1C(N)=O,0,GDB ChEMBL
281961,NC(=O)NC(=O)C1(C[NH2+]CCO)CO1,0,GDB ChEMBL
195338,Cc1sc2c(C=O)c(N)ccc2c1C,1,GDB ChEMBL
112826,Cc1cccc(C#N)c1N1CCC(C)(C)C1,1,GDB ChEMBL
322848,C#CC1CCC(OC)C(C)CC(O)C([NH3+])C1C,0,GDB ChEMBL
111918,CC1C2CC=C(Cc3ccc(I)cc3)C12,0,GDB ChEMBL
127045,O=C1Nc2nonc2CC2(C(=O)[O-])CCCC12,0,GDB ChEMBL
17317,N=C(NC(=O)C[NH3+])c1n[nH]c(=O)[nH]1,1,GDB ChEMBL
274156,COc1cc2c(O)n(CC#N)cc2c(F)c1C,0,GDB ChEMBL
20756,CC1CCC2C(=[NH2+])N(C)CCCC2C1,0,GDB ChEMBL
104982,CNc1ccc(C[NH3+])cc1C#N,1,GDB ChEMBL
294254,Cc1cccc(CC2=CCCCC2)c1Cl,1,GDB ChEMBL
292705,CCC[NH+]1C=CC(=O)NCC(O)(C=N[O-])C1,0,GDB ChEMBL
185920,CC1[NH2+]C2C(N)CN(S(C)(=O)=O)C1C2O,0,GDB ChEMBL
370284,Cn1c(=O)ccc2cc(O)cc(N)c21,1,GDB ChEMBL
247494,CC1=CCC(C)C(O)C(O)C1,1,GDB ChEMBL
214730,CCC(C)C(C)(C#N)CCO,1,GDB ChEMBL
67324,N#CC1CCC(=O)C(O)CC2CC2N1,0,GDB ChEMBL
133361,CCC#CCC1(C(C)C)CCC=CCCC1,0,GDB ChEMBL
115296,CC1C2CC[NH+](CC(CO)OCC3CN31)C2,0,GDB ChEMBL
160840,CN1CC(C2CN(C(N)=[NH2+])CCC2=O)OC1=O,0,GDB ChEMBL
37322,C#CCC(C)n1cncn1,1,GDB ChEMBL
285563,C=CCC(CCC)C(C#CC)C=C,0,GDB ChEMBL
44948,C[NH2+]C(C)C1OCC(NC(=O)OC)=NCC1=O,0,GDB ChEMBL
296617,CCC(CC)C1OC12C[NH2+]C2,0,GDB ChEMBL
280832,CC1C(CCO)OC12CNC(=O)COC2,0,GDB ChEMBL
254866,CCCC(CC(C)C1CC1C)C(C)C,0,GDB ChEMBL
249600,CCCC1CC([NH3+])C=CCC1C,0,GDB ChEMBL
270053,CN1CC(=[NH2+])NCC(O)C1=O,0,GDB ChEMBL
275615,CCCC1C=C(C)C(C)(CC)C1C,0,GDB ChEMBL
277111,CN(C(N)=O)C1CNC(=[NH2+])C1C(=O)[O-],1,GDB ChEMBL
131866,N#CC1CNCC([NH3+])C(CC[NH3+])CO1,0,GDB ChEMBL
339021,C=CC(C(C)=O)[NH+]1CC=CCCC1,0,GDB ChEMBL
75852,CCCC(O)CC(C)C1C2C(C)CCC21C,0,GDB ChEMBL
212567,CC(Cn1cncc1C(N)=[NH2+])CS(N)(=O)=O,0,GDB ChEMBL
174049,CC#Cc1ccoc1C(O)C1CC1,1,GDB ChEMBL
151813,Cn1nc(C(=O)N2CC2)cc1C=O,1,GDB ChEMBL
195494,C[NH2+]C1CC(C(N)=O)NS(=O)(=O)C1(C)C=O,0,GDB ChEMBL
312886,CNC1=[NH+]C(C)C(O)C1C(=O)CNC(=O)OC,0,GDB ChEMBL
312193,CCCCC(=[NH2+])NC1C(N)C1(N)C(N)=O,0,GDB ChEMBL
20734,CCC1CC2CC(C)CC([NH3+])CC2(C)CCO1,0,GDB ChEMBL
156050,CC(=O)NC1C(C[NH3+])C(CCO)C(C)(O)C1O,0,GDB ChEMBL
112802,COC1C(C)NC(=O)C(O)C12OC2CO,0,GDB ChEMBL
140880,CC(C)[NH2+]CC1(CC#N)CC([NH3+])CN1,0,GDB ChEMBL
259643,CC1CCCC2CC([NH3+])CC1C(C)C2,0,GDB ChEMBL
177115,N#CC1N=COC(=O)NC1C(=O)[O-],0,GDB ChEMBL
337383,CC(C=NO)C(C)C([NH2+]CC(N)=O)C(=O)[O-],0,GDB ChEMBL
174207,CCC1[N-]C(=O)C2(C#N)C(C)C12O,0,GDB ChEMBL
181421,Brc1ccc2c(c1)CC1=C2C2CC[NH+](C1)C2,0,GDB ChEMBL
230399,CC1C=CC2C[NH2+]CC1C2,0,GDB ChEMBL
385500,Cc1onc([O-])c1CNS(=O)(=O)CC[NH3+],0,GDB ChEMBL
67564,O=C(NC1CCC1)C1COCO1,1,GDB ChEMBL
116639,CCC(O)(C(=O)[O-])C1NC1CS(N)(=O)=O,0,GDB ChEMBL
184103,NC(=O)NC1C2OCC1S(=O)(=O)CC2O,0,GDB ChEMBL
195223,CCc1cc(C)c(Br)c(C(CC)CC(C)C)c1,1,GDB ChEMBL
35306,C#CC1CCC1C1C[NH2+]C(CCC)C1,0,GDB ChEMBL
254867,COC(=O)C1C=CCC(O)C1,1,GDB ChEMBL
115266,COCC1[N-]C(=O)NC(=O)C2[NH2+]C1C1CC21,0,GDB ChEMBL
254233,C#Cc1c[nH]cc1C1CC(C)CC[NH+]1C(C)C,0,GDB ChEMBL
334637,CCC(C)([NH2+]C)C1C(C)OC(C)(C)C1OC,0,GDB ChEMBL
246826,CC[NH+]1CCCC2C(O)C([NH+](C)CC)C2C1,0,GDB ChEMBL
184257,CC1=CC(O)C[NH2+]Cc2ccncc21,0,GDB ChEMBL
318141,CCC[NH2+]C1C(=NO)C2OCC1O2,0,GDB ChEMBL
354001,COCCCC1NC=[NH+]C(C)(CO)C1N,0,GDB ChEMBL
315211,CCc1ccc(=O)n(C)c1F,1,GDB ChEMBL
132891,CC1(C[NH2+]C2CC=CC2)CC=C(CO)CC1,0,GDB ChEMBL
23555,CC(C)(C[NH3+])CCCC1=CCCC1,0,GDB ChEMBL
255392,COCC(C)CC1OC1C,1,GDB ChEMBL
50120,CCCCCC1(CC(C)C)CCC(C)(C)C1C,0,GDB ChEMBL
279141,CC1C2NCC2(N)C([NH3+])C(C(=O)[O-])N1C,0,GDB ChEMBL
375154,CN1C(=[NH2+])C2OCCC(C(=O)[O-])CCC1C2[NH3+],0,GDB ChEMBL
147402,C[NH+](C1CC1)C(C)(C)CC1[NH2+]CCC1O,0,GDB ChEMBL
320742,C=C(C(=O)[O-])C1(CCC(=O)[O-])CN1,0,GDB ChEMBL
262550,CCCN(C=O)CC1(C#N)CC(OCC)C1,1,GDB ChEMBL
78606,CN=C1OCc2occc2CN1CC(C)(C)O,1,GDB ChEMBL
296994,CCC1CCCC(C)C2C=CCC2C1CC,0,GDB ChEMBL
93723,C[NH2+]C(CO)CC1NC1CS(N)(=O)=O,0,GDB ChEMBL
319202,COC(=O)C(O)CNC=[NH+]CCN,0,GDB ChEMBL
177157,C#Cc1cc(Br)c(C2CCC2)cc1C#CC,1,GDB ChEMBL
75019,C#CC1(C(=O)[O-])CNC(=O)OCCC(C)C1,0,GDB ChEMBL
50333,CC1CC2(C)CC([NH3+])C3CC2C[NH+]13,0,GDB ChEMBL
250526,CCCCC1CCCCC(C(C)(C)CC)CC1,0,GDB ChEMBL
106616,COCC=CC(CO)CCCOC,1,GDB ChEMBL
251826,CC1C(C(F)(F)F)C2(C3=[NH+]CCN3)CCN1C2,0,GDB ChEMBL
347018,CC(=O)NC1CC2C(C)C3C2C1CC3(C)C,0,GDB ChEMBL
6013,COC(=O)CC(C)[NH2+]C(C)C(C[NH3+])S(=O)(=O)[O-],0,GDB ChEMBL
119654,CC([NH3+])C1CC2(C(=O)[O-])C(O)C[NH+](C)C12,0,GDB ChEMBL
140740,C#CCc1c(F)ccc(F)c1CC(F)(F)F,1,GDB ChEMBL
118824,CC12CCC[NH2+]CC1(C#N)CC1CCC(=O)C12,0,GDB ChEMBL
135403,CCC=C1C=C(C)C(CCCC)C1,1,GDB ChEMBL
99099,COc1c(NC(C)=O)[nH]c(=O)c(C(=O)[O-])c1O,0,GDB ChEMBL
281208,CCN1CCCC2C(O)C3[NH2+]C2C31,0,GDB ChEMBL
263484,COC(=O)Nc1c[nH]nc2nc(N)nc1-2,0,GDB ChEMBL
24266,COC1OC(=O)C(C)(N(C)CC(C)[NH3+])C1C#N,0,GDB ChEMBL
375582,CCC1C(C2CCCCC(C)C2)C1(C)C,0,GDB ChEMBL
180018,CCC(C)(O)C1(C(N)=O)CC1(C)C,1,GDB ChEMBL
312497,CC([NH3+])CC(C#N)N1CC1CO,0,GDB ChEMBL
56635,CCC1CC(C)C=CC1CCC#N,0,GDB ChEMBL
214388,C#CCCC1(C)CCC[NH2+]C1,0,GDB ChEMBL
2117,COC1C([NH3+])C2(OC(C)=O)C(=O)NCC12,0,GDB ChEMBL
61696,CCC1OCC(N)(C(C)[NH+]2CCCC2)C1C#N,0,GDB ChEMBL
161100,CC(=O)NCC(CC(N)=[NH2+])N=CNCC#N,0,GDB ChEMBL
34807,CC(C)[NH2+]C1CC2(CC(CCCO)C[NH2+]2)C1,0,GDB ChEMBL
354366,CC1CCC([NH3+])C(=O)N(CC[NH3+])C(C)C[NH2+]C1,0,GDB ChEMBL
146951,CCC=CC(CCC)CCCCC,1,GDB ChEMBL
92901,NC(=O)OCC([NH3+])C1C[NH+]=C(N)C1,0,GDB ChEMBL
354341,C#CCC1=CC(CCCC)C(C)(C)C1,0,GDB ChEMBL
42547,C=CC(O)C(C(=O)NC=N)[NH+](C)C,1,GDB ChEMBL
141824,Nc1cc(C2NCCOC2C[NH3+])cs1,0,GDB ChEMBL
319134,CCC1CC=CC=C2CCC(CO1)C2,1,GDB ChEMBL
184658,CC1CC(C)(C)C=CC1C[NH3+],0,GDB ChEMBL
334434,CN1C=NC(C)(c2ncccn2)CC(O)C1=O,0,GDB ChEMBL
218609,CC(C)CC(=O)CCC1CC(=O)CS(=O)(=O)N1,1,GDB ChEMBL
190290,C[NH2+]C1CC([NH2+]C)C1C(C)(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
169420,NC(=O)CCOC1C=CS(=O)(=O)C1,1,GDB ChEMBL
324322,C#CC1C(CO)C(O)CCC(COC)C1(C)C,0,GDB ChEMBL
157708,Cc1[nH+]c(N)n(CC(=O)[O-])cc[nH]c(=O)c1N,0,GDB ChEMBL
148750,CC1C(O)CC2COC1C2[NH3+],0,GDB ChEMBL
351384,C=CCn1ncc2[nH]c(=O)ccc21,1,GDB ChEMBL
255534,CC1=Cc2c(C)cccc2C(C(C)C)C1,1,GDB ChEMBL
367815,CNC(=O)NC1(C(N)(CO)C(N)=O)CC1O,0,GDB ChEMBL
271096,C#CCC(CC)CC1COC(C)C1,0,GDB ChEMBL
95915,CC(=O)NCC1C(C)C2CN12,0,GDB ChEMBL
33266,CC(CCO)OC(C=O)CC#N,1,GDB ChEMBL
33323,CCCCC(C)([NH3+])C(C)CC,0,GDB ChEMBL
304147,CC1=CC(C[NH3+])C(O)CC=C1,0,GDB ChEMBL
385484,CCC1(C)C(C)C1CC([NH3+])CCCO,0,GDB ChEMBL
179465,C[NH+](C)CC(C[NH3+])NC(=O)CC(N)=O,0,GDB ChEMBL
197068,CCC(C)C1NC2C([NH3+])COC12,0,GDB ChEMBL
378294,C#CCC1CCc2c(C)ccc(C)c2C1(C)C,0,GDB ChEMBL
246824,CC1CC1(COC(=N)CS(N)(=O)=O)C(=O)[O-],0,GDB ChEMBL
294499,CCCC1CC2C(C)[NH2+]CC1C2C,0,GDB ChEMBL
45073,CC1C(=O)NCC1C1CC[NH2+]1,0,GDB ChEMBL
222876,CC(O)CN1C2C[NH2+]CCC([NH3+])C21,0,GDB ChEMBL
34370,CNC(=O)NC(=O)C1OC1C(C#N)=N[O-],0,GDB ChEMBL
116018,COC1C[NH+](C)C(C)CC2C(C=O)C12,0,GDB ChEMBL
62110,C#CC([N-]C(=O)C#N)C(O)C[NH3+],0,GDB ChEMBL
382138,CCC1C(C)CC2C=CC1C2C,0,GDB ChEMBL
173866,C[NH+]=C(CCC[NH3+])NCC(C)NC=O,0,GDB ChEMBL
225455,NC1C(=O)[N-]S(=O)(=O)C2C3COC(=O)C132,0,GDB ChEMBL
228841,CCCCC1=Cc2cc(CC)c(C)n2CC1,0,GDB ChEMBL
221681,NC1CC1([NH3+])C1CS(=O)(=O)NC1C(=O)[O-],0,GDB ChEMBL
345426,CC1COCC[NH2+]CCNC(=O)O1,1,GDB ChEMBL
207964,C#CC1CCCCC(CC)C(C)CC1C#C,0,GDB ChEMBL
309668,CNc1ccc(O)c2c1C(C[NH3+])CN2,0,GDB ChEMBL
78621,CC1=CCC2C(CCCC=C(CO)C2C)C1,0,GDB ChEMBL
194777,CCC1(C)C[NH+](C)C2CC2CC(C)CC1C,0,GDB ChEMBL
234254,C#CC1(CO)[NH2+]C(CC)CC(O)C1C(C)C,0,GDB ChEMBL
201482,CC(C)(CC1CC1)C1C[NH2+]1,0,GDB ChEMBL
191698,C#CC1(OCCCCC)CC2OC1C1CC21,1,GDB ChEMBL
252848,CC1=C(C)C(CO)OC1=O,1,GDB ChEMBL
325229,CS(=O)(=O)NCC([NH3+])C1C(O)C1C(N)=O,0,GDB ChEMBL
215700,CCC1(C)[NH2+]CC(C)CN(C)C1CCCC=O,0,GDB ChEMBL
106614,CC(=O)NC1(CC(N)=O)CC1NS(C)(=O)=O,1,GDB ChEMBL
149349,C#CC([NH3+])(C#C)CC(CC)(CC)C[NH2+]CCC,0,GDB ChEMBL
31380,CC1CC(O)C2=CC(C[NH3+])C(C)(C)C21,0,GDB ChEMBL
99455,CC[NH+](C)CCC1C=CC(C)C12CC2,0,GDB ChEMBL
115779,CC1C(C)N1CC([NH3+])CC1OC1(C)C,0,GDB ChEMBL
40942,N=C(NC=O)C(C[NH3+])NC(=O)CO,0,GDB ChEMBL
225430,CC(=O)N1CCC2[NH2+]CC21C,0,GDB ChEMBL
26799,CC[NH+]1CCC(O)C(=O)N(C)CC2CC1CO2,0,GDB ChEMBL
226248,CC1N=C(NCCC[NH2+]CC(N)C[NH3+])NC1=O,0,GDB ChEMBL
34464,CCOCc1noc(NC(=O)C[NH+]=C(N)N)n1,1,GDB ChEMBL
248867,N=C(N)NC(=O)C1(C(O)CO)C(O)C1O,0,GDB ChEMBL
177231,CS(=O)(=O)NC(CO)=NCC(N)=O,1,GDB ChEMBL
298179,NC(=[NH2+])NC1C2OCC(O)C12C[NH3+],0,GDB ChEMBL
230226,CC1(O)COC1CC(O)C(=O)[O-],1,GDB ChEMBL
11261,CN(C(C#CC#N)C([NH3+])CO)S(C)(=O)=O,0,GDB ChEMBL
91219,CCOC(=O)CC12CC(C#N)C1OC(=O)N2,0,GDB ChEMBL
367633,NC1=NCC(=[NH2+])NCC(CCO)CC(=O)OC1,0,GDB ChEMBL
367787,CCc1cc(F)cc2c1CCC(C)=C2,1,GDB ChEMBL
70200,Cc1cn(C2C(C[NH3+])OCCC3NC32)cn1,0,GDB ChEMBL
205798,CCCC12CC1c1ccc(Br)cc1C2C,1,GDB ChEMBL
228809,COC1CCC(C)([NH3+])C(CO)CC1C(C)[NH3+],0,GDB ChEMBL
75870,CC1CCC(C(C)(O)C(C)(C)C)CC1C,1,GDB ChEMBL
347866,CCC1CC(C(C)[NH3+])=CC1OC,0,GDB ChEMBL
81131,CC[NH2+]CC1CC1C(OC)C(O)C#N,0,GDB ChEMBL
189751,COC1CCC(C)([NH3+])CC1,0,GDB ChEMBL
31370,CC1=CCOC(C[NH3+])C=CC1,0,GDB ChEMBL
392236,CS(=O)(=O)N1CC(O)C([NH3+])C(O)C1=O,1,GDB ChEMBL
35338,C#CCCC1=CC(CC#N)CC(C)C1,0,GDB ChEMBL
313761,NC(N)=[NH+]CCC(O)c1nonc1N,0,GDB ChEMBL
370377,CC(C#N)N1CCC(C2CO2)C(=O)C1,1,GDB ChEMBL
278883,CNc1c(N)sc2c(C(N)=O)cnnc12,0,GDB ChEMBL
105104,C[NH2+]CC1C2C=CCCCCCCC21,0,GDB ChEMBL
377277,CCC(O)C(C)C1CC2[NH2+]C2C1,0,GDB ChEMBL
101925,CC(C)CC1CNC(=[NH2+])C(N)=N1,0,GDB ChEMBL
163910,CC1CC(=O)NC(=O)NC(=O)O1,1,GDB ChEMBL
382173,Nc1cnc2c(n1)NCCOC2,1,GDB ChEMBL
121519,CC(=O)C1(CNC(N)=[NH2+])COC1,0,GDB ChEMBL
375443,CCC(C)(C)CCCCC1CC1C(F)(F)F,1,GDB ChEMBL
277459,CC1=CC(CC2CC2)C=CC=CCC1,1,GDB ChEMBL
10978,CC1C2C3C(OCCCC[NH+]3C)C(C)([NH3+])C12,0,GDB ChEMBL
391623,CCCN1CC2[NH+]=C(N)CC1C(C)C2C,0,GDB ChEMBL
108729,CCc1c(O)ccnc1CCC[NH2+]C1CC1,0,GDB ChEMBL
207397,CCC1(Cc2cc(C)c(Br)cc2Br)CCCC1,1,GDB ChEMBL
348415,COC1CC2C(C#N)CC1C(C)C2C,1,GDB ChEMBL
48126,CNC(=O)C1C(O)CCC([NH3+])C(C)C2OC21,0,GDB ChEMBL
386225,COC(N)=[NH+]C(C)Cn1cnc(N)n1,0,GDB ChEMBL
260143,CC1CCC2C(CC(=O)[O-])CC3[NH2+]CC1C32O,0,GDB ChEMBL
252334,CCCC(CCC1CC(C)C1)CC(C)CC,1,GDB ChEMBL
171287,CCC1(CC([NH3+])CO)CO1,0,GDB ChEMBL
260731,CCC(OC)C1CCC(C)C(C)C1,1,GDB ChEMBL
252072,CCOC(C)C(C)C1CCC=CC(C)(C)C1,0,GDB ChEMBL
203881,CC1[NH2+]CC(CCCO)C1c1cnc(Cl)nc1,0,GDB ChEMBL
317539,CC[NH+]1CCCCNC(C)(C)C1C,0,GDB ChEMBL
127213,CC1COC2(CC(=O)N1)C(C)C2C#N,0,GDB ChEMBL
95554,C#CCc1cccc(C2C(C)C2C)c1,1,GDB ChEMBL
169469,CC1=CC2C3C=C(C)C2(C)CC13C,1,GDB ChEMBL
207675,COCC1(O)C2C=CCC(O)C([NH3+])C21C,0,GDB ChEMBL
142913,CC#Cc1cc(Br)c(CCCC)c(Br)c1,1,GDB ChEMBL
8788,CN(CC(C)([NH3+])CO)C(N)=O,1,GDB ChEMBL
76933,C#CC(C)(C(C)C)C1(C)CCC(CCOC)C1,0,GDB ChEMBL
332688,O=C1OC(C2CCC[NH2+]C2)C2OC12,0,GDB ChEMBL
251862,CNC(C(=O)OCC(N)=O)C(C)S(=O)(=O)[O-],0,GDB ChEMBL
39802,CNC1C([NH2+]C)C2CC1C2(C)O,0,GDB ChEMBL
372472,C[NH2+]C1C2CC=CC(CO2)C1C(N)=O,0,GDB ChEMBL
33169,CC1CC2C(O)CCC2C[NH2+]1,0,GDB ChEMBL
238546,CC1OC(=O)CC1C1=CCC(C)(C)C1=O,1,GDB ChEMBL
244616,O=[N+]([O-])c1ccnc2c1C1NC1C2,0,GDB ChEMBL
182101,CC(CCCO)C1=CCC(C)([NH3+])CCC1,0,GDB ChEMBL
147235,COC(C[NH3+])C(=O)NC(C)CN=COCC[NH3+],0,GDB ChEMBL
9815,CC1C=CC2=CC[NH+](C)C3CCC1C23,0,GDB ChEMBL
258682,CC1CCC(O)C=CN(C(N)=O)CC1,1,GDB ChEMBL
247587,Cc1cc(Cl)nc2c1C(C(O)C(C)C)OC2,0,GDB ChEMBL
207319,COC1C[NH+]=C(CN)NC(C(C)C)C1,0,GDB ChEMBL
122664,NC(=O)CNC(=[NH2+])NCC1(O)CC1[NH3+],0,GDB ChEMBL
275599,CC1CC2OCC(O)CC(O)C2[NH2+]1,0,GDB ChEMBL
286873,CN1C(C[NH3+])C1CC(O)CO,0,GDB ChEMBL
38553,CCC(=O)C1(C)CC=CCC(C)OCC1,0,GDB ChEMBL
215714,N=C1OCCC(CC(=O)[O-])Nc2sccc21,0,GDB ChEMBL
85803,CCC1C(C)CC2C([NH2+]C)C3CCC(C3)[NH+]12,0,GDB ChEMBL
198823,CNc1ccc2n1CC([NH2+]C)CC(C)CC2=O,0,GDB ChEMBL
182544,CC1(O)CCN(C(=[NH2+])CC[NH3+])C1CO,0,GDB ChEMBL
387262,CC(C)C1CC(C(F)(F)F)CC(C)C1C,0,GDB ChEMBL
118126,CC(=O)OCCNc1nonc1C#N,1,GDB ChEMBL
77074,COC1CC(CC=O)C(n2cnnc2)C1O,0,GDB ChEMBL
192594,COC1CCC2C(C)[NH2+]C(C)(C1)C2C(N)=O,0,GDB ChEMBL
51836,CC#CC1CC2CCC[NH+]2C1,0,GDB ChEMBL
13791,CCCCc1c(C)c(I)cc(N)c1C([NH3+])CC,0,GDB ChEMBL
186051,CC([NH2+]CCCO)C(=O)NCC(C)(C)C,1,GDB ChEMBL
260687,CC(O)C(CC(N)=O)C(C)(O)C1CC1CO,0,GDB ChEMBL
119970,[NH3+]C1C(=O)NC2C(O)C2(O)C1CO,0,GDB ChEMBL
378126,CCNc1ccc2c(c1CC)CCCC2(C)[NH3+],0,GDB ChEMBL
165262,NC1C[NH+]2CCCC3COC1C32,0,GDB ChEMBL
16019,N=C1NC(=O)C(O)(CO)C2CC2N1,0,GDB ChEMBL
316295,C[NH2+]CC(O)C1[NH2+]C2CC1C2CCO,0,GDB ChEMBL
81549,C[NH2+]C(C(N)=O)C(O)c1cnco1,0,GDB ChEMBL
321955,[NH3+]CC1NCC2CCCC1([NH3+])CC(=O)N2,0,GDB ChEMBL
33200,CCCc1c(N)cn2c1C(C(CN)[NH2+]C)C2,0,GDB ChEMBL
56671,C#CC[NH2+]C12CCC(CC)(NC1)C(=O)OC2,0,GDB ChEMBL
119383,CC1(C[NH3+])OC(=O)C(CO)(C(N)=O)N=C1N,0,GDB ChEMBL
322855,CN(CC=O)c1cnc2nc(O)cc(N)c2c1,0,GDB ChEMBL
366753,Cc1ncn(CCC(C)[NH3+])n1,1,GDB ChEMBL
251038,CC12CC1C([NH3+])CC1C2=CC(O)C1C(=O)[O-],0,GDB ChEMBL
312882,CCOC1CCC2(C)CC3CC3C1(C)C2,0,GDB ChEMBL
54108,CC1CCOC(C)C12CC2[NH+](C)C,0,GDB ChEMBL
286865,Brc1ccc2c(c1)NCC21CC1,1,GDB ChEMBL
281845,O=C1CCC2CC=CC(CC2)N1,1,GDB ChEMBL
334346,C#CC(CC1(C)CCCCC1=O)OC,1,GDB ChEMBL
111928,Nc1cnc([O-])cc(O)c1=O,0,GDB ChEMBL
200577,CCN([C-]1C(=O)C(O)C(O)C1=O)S(C)(=O)=O,0,GDB ChEMBL
81629,CCCC1CC(CC)C2CC[NH+]1CC2C(C)C,0,GDB ChEMBL
281837,CCCC1C2=CCC(C)CC2(C)C2CCC12,0,GDB ChEMBL
60644,[NH3+]C1CC(CO)Nc2ocnc2C(C(=O)[O-])C1,0,GDB ChEMBL
4877,NC(=[NH+]CC1CN1)OCCCO,0,GDB ChEMBL
151118,CN1C2CCC1C1(C#N)C(O)C[NH2+]C21C(=O)[O-],0,GDB ChEMBL
190102,CCC(C)C(CC1CC1CC[NH2+]C)=NO,0,GDB ChEMBL
118712,[NH3+]C1C2CC3OCCCCC3C12,0,GDB ChEMBL
5001,CCC1CC(C)C2C[NH+]1CC1CC12,0,GDB ChEMBL
245817,CC12CCCC(CC(O)(C[NH3+])C1)C2(C)C,0,GDB ChEMBL
311055,CC(=O)C1=C(CC2CC2)CC(O)CC1,0,GDB ChEMBL
361607,COC(CCCC#N)C(=O)[O-],1,GDB ChEMBL
48001,CC(=O)N(C)C1CC2(O)COCC(C2)C1[NH3+],0,GDB ChEMBL
226277,COC1CCN(CC(C)[NH3+])C1(C[NH3+])CO,0,GDB ChEMBL
157368,CC(O)CNC1C(O)C1(O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
391692,CCC12CC(C)C(=O)OC1C2[NH3+],0,GDB ChEMBL
74352,CCC1(CC(=O)[O-])C(C)C(C(N)=O)C1[NH3+],0,GDB ChEMBL
195571,CCCCC1C=CCCC1CC,1,GDB ChEMBL
25120,CC12CC(CCC1O)C(O)CC2C#N,1,GDB ChEMBL
31378,CC1CCCC2CC=C(C2)C(C(C)(C)C)C1,0,GDB ChEMBL
40275,CCN1CC(c2cccc(O)c2CO)[NH+]=C1C,0,GDB ChEMBL
23950,CCCCCC1CC2CC1C=C(C)C=C2C,0,GDB ChEMBL
337099,COC(=O)C=C(CC=O)C(C)CO,1,GDB ChEMBL
334633,C#CC(O)(CC1C[NH2+]C1)C1(C)CC1,0,GDB ChEMBL
98577,CC#CCC([NH3+])C1CCC1,1,GDB ChEMBL
331520,O=CN1C2C(O)CCCC21C(=O)[O-],0,GDB ChEMBL
392241,C[NH+]=C(NCC=O)NCCCC1CC1,0,GDB ChEMBL
299611,CCN=CNc1cc(C[NH3+])nc(C(N)=O)c1N,0,GDB ChEMBL
299558,CC12CC(CC(=O)[O-])(C[NH2+]1)C2(O)C(N)=O,0,GDB ChEMBL
150556,CCC1=CCC(=[NH2+])NCC1CC[NH3+],0,GDB ChEMBL
127669,CCC(C1CCC2(C)C(C)CC1C2[NH3+])[NH+](C)C,0,GDB ChEMBL
143134,CC1C2CC3CCCC3(C)C(C2)[NH+]1C,0,GDB ChEMBL
5321,Nc1cc([O-])nn2c(=O)c(F)cnc12,0,GDB ChEMBL
208395,OCCC1CCCOCCCC2(C1)CC2O,0,GDB ChEMBL
375834,CCC(C)Cc1ccc2c(c1Cl)C1CC1O2,1,GDB ChEMBL
225836,CCOC(=N)C=CCC(O)C(=O)[O-],1,GDB ChEMBL
58978,C[NH2+]C1C(CO)C(C(N)=[NH2+])NCCC1(C)C,0,GDB ChEMBL
76768,COCC(C)(O)C#CCc1[nH][cH-]c(=O)c1C,0,GDB ChEMBL
304637,C#CC(CC)(CC(C)O)[NH2+]CC,0,GDB ChEMBL
366616,CCOc1ncccc1-c1ccoc1,1,GDB ChEMBL
33139,COc1nc(O)nc2c1C(C#N)C(C)N2,0,GDB ChEMBL
193225,NC(=O)C1C2CCC1(O)CO2,0,GDB ChEMBL
79611,NC1CC2COC(CC3CC2NC3=O)OC1=O,0,GDB ChEMBL
358855,CCCC(=O)c1ccn(C)c1C,1,GDB ChEMBL
369309,[NH3+]C1CCC1=CCNC(=O)CCO,0,GDB ChEMBL
305948,[NH3+]C1(Cc2cc(O)nnc2CCO)CC1,0,GDB ChEMBL
355367,COC1OCC[NH2+]C2CCCOC2OC1C,0,GDB ChEMBL
398824,CCC(=O)C1OCCC1(C(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
319332,CC1COCOC(=O)NCC(OC(N)=O)C1[NH3+],0,GDB ChEMBL
331725,COCC1NCC(C)(C)CC2CCC[NH2+]C21C,0,GDB ChEMBL
116082,CC[NH+]1CCC(C)(C2C=CC(O)C2[NH3+])C1,0,GDB ChEMBL
379377,CC#CC1C=CCCCC1CC,0,GDB ChEMBL
260146,CCC1C(C)C2CCCC(C(C)C2)C1(C)CC,0,GDB ChEMBL
150560,CC1(O)C=C(CCC[NH3+])C(=O)OC1,0,GDB ChEMBL
11369,C[NH2+]C1C2CCC1(C)CCC2O,0,GDB ChEMBL
330074,COC(CC(=O)N(C)CC[NH3+])S(=O)(=O)[O-],0,GDB ChEMBL
20545,O=C1CCC(=NO)CCc2ccccc2C1,1,GDB ChEMBL
118467,Cc1ccc(Cc2cc(I)c(C)cc2C)cc1,1,GDB ChEMBL
316491,COCC1OC(=O)CN(C(C)C[NH3+])C(=O)C1[NH3+],0,GDB ChEMBL
28244,CC1CC1C[NH+](C)CCC(C)N1CC1,0,GDB ChEMBL
44636,Cc1cc(O)c(C=O)cc[nH]c(=O)o1,0,GDB ChEMBL
390119,CCCC1CCC(C)(C)C(=O)CCC1O,0,GDB ChEMBL
101885,CCC1=CC(N2CC2)CC=CCCCCC1,1,GDB ChEMBL
396092,CC(C)(C)CC#CC[NH3+],0,GDB ChEMBL
386639,CC1(O)C2CNC(C(N)=O)CC[NH2+]C21,0,GDB ChEMBL
227259,CC#Cc1c[nH]cc(C(=O)[O-])ncnc1C,0,GDB ChEMBL
112790,CNc1ncc(S(N)(=O)=O)s1,1,GDB ChEMBL
126359,O=C1NC2C(=O)NC(C(=O)[O-])C2N1,0,GDB ChEMBL
387219,[NH3+]C1C(=O)N2C(CO)C3OC3C2C1O,0,GDB ChEMBL
112371,N=C(NCCO)C(=O)NCC[NH3+],0,GDB ChEMBL
305779,C#CC(=O)C(C(C)CC)N(C)C,1,GDB ChEMBL
147970,CC(CNC(N)=[NH2+])CC1=[NH+]CCN1,0,GDB ChEMBL
270029,CC1CC2C(C#N)C(NCCO)C2(O)C1,0,GDB ChEMBL
205789,C[NH2+]C(C)C1C2OCCC(C)C21,0,GDB ChEMBL
204826,CC1CCC=C1CC(O)C(C)C,1,GDB ChEMBL
253634,C#CC1COC(=O)CC(CC)(c2cccs2)O1,0,GDB ChEMBL
171295,N#CC1[N-]C(=O)C([NH3+])(CO)C(N)C1O,0,GDB ChEMBL
225079,CCC1CN(C)C2=[NH+]CC(CCN2)[NH+]=C1N,0,GDB ChEMBL
46018,COc1c(O)ccsccc2c1C(C)C(C)O2,0,GDB ChEMBL
163373,CN(CC(O)C#N)C(=O)C(N)=O,1,GDB ChEMBL
111938,CC1C=C2C(C1)NC(=O)CN1CC21,0,GDB ChEMBL
294473,CC1=NC2CCC(CO)(C2)[NH2+]CC(=O)N1,0,GDB ChEMBL
320415,CCN1CC(O)C(O)C2OCOC(C[NH2+]C)C21,0,GDB ChEMBL
390469,CC[NH+]1CCCC(C)(C[NH3+])C(C)(C)CC1,0,GDB ChEMBL
234922,c1ccc2c(c1)CCC1(COCC13CO3)C2,0,GDB ChEMBL
396754,CC1(C)C2[NH2+]C(C(=O)[O-])C1C(=O)C1OC12,0,GDB ChEMBL
330162,CC(=O)NC1C(=O)NC1CCCO,1,GDB ChEMBL
63120,CC1(CO)CCCOC1(C[NH3+])C1CCCC1,0,GDB ChEMBL
112544,CCC1C[NH+](C)CC2OCC(C)(N1)C2O,0,GDB ChEMBL
285087,N=C1OCC2C(O)C([NH3+])CNC(=O)N12,0,GDB ChEMBL
22044,CC1(C)C=CCNC(NS(C)(=O)=O)=NCCO1,0,GDB ChEMBL
169431,C#CC(C)C(C)OC1(CC)COC(=O)C1,0,GDB ChEMBL
338144,CC#CC(C)(C)C[NH2+]CC(=O)NCC,0,GDB ChEMBL
3805,CC1OC2CC(C(=O)[O-])C1C2[NH3+],0,GDB ChEMBL
84222,CCCC1C2C=CC3[NH+]1CCC23C,0,GDB ChEMBL
195288,CC(O)CC1=CCCC(CC[NH3+])=CC1,0,GDB ChEMBL
292289,CC(=O)N(C)c1ncc(C)c(C[NH3+])c1Cl,0,GDB ChEMBL
114418,C#CCOCc1cc(O)c(Cl)c(C)c1Cl,1,GDB ChEMBL
64605,CC(NC=O)C(O)C1(C)OC1CC(O)CO,0,GDB ChEMBL
89358,CN(C)C(=O)NC1(C)C(N)C1([NH3+])CO,0,GDB ChEMBL
208271,CC1CC(C)C2CC1CCC2(C)CC#N,0,GDB ChEMBL
289268,CC(C)C1([NH+](C)C)CC1O,0,GDB ChEMBL
115445,C[NH+]=C(N)OC(CO)COC(=O)C#N,0,GDB ChEMBL
194243,C[NH+]1Cc2ccoc2C2CC1C2,0,GDB ChEMBL
365793,[NH3+]CCC1=CCCCC12CCC2,0,GDB ChEMBL
54098,CN(C)C(=O)N1CCOCCCNC(=O)C1,1,GDB ChEMBL
269157,C[NH2+]C1C(C=O)NC(C(=O)[O-])C(O)C1C(C)O,0,GDB ChEMBL
167311,C[NH+]1CCCC2CC3C(CC31)[NH2+]2,0,GDB ChEMBL
5303,CC1C2C[NH+]3CCN(CCOC(CO)C3)C12,0,GDB ChEMBL
45717,CC12CCC3C(Cc4cccc(Cl)c41)C32,0,GDB ChEMBL
29813,CC1(C)c2ccc(Cl)cc2CCC2CC21,0,GDB ChEMBL
398741,CC([NH3+])C1(NC(=O)NCC#N)COC1,0,GDB ChEMBL
201143,C[NH2+]C(C)C1(C)CC2CC1(O)C(O)C2C,0,GDB ChEMBL
157455,COCC#CC1OC1C([NH3+])C(C)C,0,GDB ChEMBL
386504,CCC1CC(C)=CC(C)=CCC1C(C)C,0,GDB ChEMBL
255464,CC1=CCCCC(C2(C)CC2)CC1,1,GDB ChEMBL
300236,COC(=O)CNc1c[nH]cn1,1,GDB ChEMBL
177230,CC#CCCCC([NH3+])C(C)(C)CCC[NH3+],0,GDB ChEMBL
155075,C[NH2+]C1CC#CC(C)[NH2+]C(C(=O)[O-])CC1,0,GDB ChEMBL
150561,CC1OC(C)C1NC(=O)CCNC(N)=[NH2+],1,GDB ChEMBL
383300,Cc1cc(C)c2c(C)cc(Cl)cc2n1,1,GDB ChEMBL
233413,O=C([O-])c1cc(C2CN2)ncn1,0,GDB ChEMBL
337433,CCC(O)C1(CO)C(=O)N(C=O)CC1C(=O)[O-],0,GDB ChEMBL
199082,N=C(N)Oc1nccc(NC(N)=O)n1,1,GDB ChEMBL
280013,O=C1NCC(O)C2NC(=O)N3C1C23,0,GDB ChEMBL
289814,CNS(=O)(=O)CCCC1(C#N)NC1C,0,GDB ChEMBL
302269,C[NH2+]C1CC(C[NH3+])C2(O)CC12C(=O)[O-],0,GDB ChEMBL
355366,COc1cn(CCNC(C)=O)c([N+](=O)[O-])c1[O-],0,GDB ChEMBL
297049,O=CC(C=O)C1C[NH2+]CC(O)C1O,0,GDB ChEMBL
26579,C#Cc1cc(C)c2c(CC)cnc(C)c2c1C,1,GDB ChEMBL
81631,Cc1cc2c(cc1O)OS(=O)(=O)[N-]2,0,GDB ChEMBL
84935,CCCC(=O)CC(=N[O-])C(N)=O,0,GDB ChEMBL
328960,NC(N)=[NH+]CC(C(=O)[O-])C(O)C1CN1,0,GDB ChEMBL
174883,CCc1c(Cl)c(CC(C)=O)n2ccnc2c1C,1,GDB ChEMBL
109535,CC(=O)CNC(N)=[NH+]CCO,0,GDB ChEMBL
274928,N#CC(O)(CO)CC1NC(=N)NC1=O,1,GDB ChEMBL
288463,CCC1(C(C)C)CC2CC(C)CC(C2)C1,0,GDB ChEMBL
362980,CCc1nnn2c1CCC(O)(C(F)(F)F)C2,0,GDB ChEMBL
250585,CC1(C[NH3+])NC1C1CS(=O)(=O)NC1C(=O)[O-],0,GDB ChEMBL
118894,CC1C=CC#CCc2ccc(c(Cl)c2)N1,1,GDB ChEMBL
61917,COC1C(C)OC(=O)CCC(C#N)C1C(C)O,0,GDB ChEMBL
311645,CC1(C)CC[NH2+]CC2(CCCC2)C1,0,GDB ChEMBL
305584,CCCn1ccc2c1CC(O)CC2,1,GDB ChEMBL
133312,CCCC12CC(CO1)C(CC)C2(C)CC,0,GDB ChEMBL
84444,C[NH2+]C1C2CC(CCC(C[NH3+])N2)CC1(C)C,0,GDB ChEMBL
338384,CC(C)C1C2CCOCCC21,1,GDB ChEMBL
148176,NC1C([NH3+])C(CC(=O)[O-])N2CC12,0,GDB ChEMBL
372772,CCC1(CC2CC([NH2+]C)C2)CC1,0,GDB ChEMBL
235241,CCCC1(C(C)CO)CC(C(O)C(N)=O)C1,0,GDB ChEMBL
50293,CCc1ccc(NC(CC)CC)c(I)c1,1,GDB ChEMBL
285548,CNC(=O)CC1N=C(N)OCC(O)C(O)C1O,0,GDB ChEMBL
293814,C#CC[NH+](C)CCCC(CC)C(C#C)CC#N,0,GDB ChEMBL
302447,CCOC1CC2CC=C(C)C(C)(C1)C2O,0,GDB ChEMBL
353936,CCCCCCC(C)OC,1,GDB ChEMBL
273434,C[NH2+]C1CN(CC[NH3+])C1C(C)(C)O,0,GDB ChEMBL
1994,Cc1sc(N)nc(CC#N)ccnc1C(=O)[O-],0,GDB ChEMBL
375869,CC(CCO)CC1CC(C)(C)OC2CC12,0,GDB ChEMBL
133050,CC[NH2+]CC(O)Cn1nc(O)cc1N,0,GDB ChEMBL
99656,C#CCC(C(=O)NC)C1OCCC1C1C[NH2+]1,0,GDB ChEMBL
41267,CC12CCCC(C[NH3+])C1CC2C(F)(F)F,0,GDB ChEMBL
160848,CC1(C[NH3+])CCC1CCO,0,GDB ChEMBL
374227,COC(=O)NC1CC1C[NH3+],0,GDB ChEMBL
235627,CC1CCC2CC(C(N)=[NH2+])CCCOC(C)C12,0,GDB ChEMBL
372175,Oc1c(I)cc2c3c1CCN3CCCC2,1,GDB ChEMBL
276316,CC#Cc1c(-c2cccs2)ccc(F)c1N,1,GDB ChEMBL
318537,CC(C)C1(C(C)c2cnccn2)C[NH2+]C1,0,GDB ChEMBL
359087,NC(=O)NC(=O)C(=O)C1OC1CO,0,GDB ChEMBL
134425,Cc1ccc(F)c(CCC(C)C)c1,1,GDB ChEMBL
109558,CC1CC(C)(C)C2CCc3c(I)cccc3C12,0,GDB ChEMBL
54794,CN1C(=O)C2N=CNC2(C#N)C1C(=O)[O-],0,GDB ChEMBL
270058,CC1=CCC(=O)NC2CC(N)=[NH+]CC1(O)C2,0,GDB ChEMBL
362803,C#Cc1c(F)ccc(CO)c1C(C)C#CC,0,GDB ChEMBL
274213,Cc1cc2c(F)cc3c(c2c(F)c1F)CCC3,0,GDB ChEMBL
273670,O=S(=O)([O-])c1ccnc(O)c1O,0,GDB ChEMBL
184081,CC(=O)NC(=O)Cc1ncc(N)ccc1=O,0,GDB ChEMBL
358604,CC1C(CCCO)CCC(C)(C)C1C#N,0,GDB ChEMBL
384828,CCC(CC1CCC=C(C)C1)C(F)(F)F,1,GDB ChEMBL
217726,N#CC1COC2CCC1C2C(N)=O,1,GDB ChEMBL
279095,CC1[NH2+]C2COCC1(O)C(NCC[NH3+])C2O,0,GDB ChEMBL
12866,O=C1NCC(CC2COC(=O)CN2)OC(=O)N1,0,GDB ChEMBL
9987,CCCCC1CCC=CCC12CCC2,0,GDB ChEMBL
93142,C#CC#Cc1ccc(Br)cc1C,1,GDB ChEMBL
148837,CC(=O)N1CC([NH+]=C(N)N)C(O)C(=O)C1C=O,0,GDB ChEMBL
101471,COCC1(O)CC2OC(C)C1C2S(C)(=O)=O,0,GDB ChEMBL
44696,C[NH2+]Cc1cc(NCCCC(CO)CO)on1,0,GDB ChEMBL
103440,CCC1C2CC(C)CCCC12CC(C)O,0,GDB ChEMBL
70306,CCC1=CC(=O)NCCNCC[NH2+]C1,0,GDB ChEMBL
259548,NC1C2C(C(O)CO)C[NH2+]C12C(=O)[O-],0,GDB ChEMBL
6504,CCOC(CC)C(C)C1CO1,1,GDB ChEMBL
26880,C#CC(C#C)([NH2+]C)C1(N(C)CC[NH3+])CCCC1,0,GDB ChEMBL
334437,CCCc1[n-]nc(OC)c(=O)c1C,0,GDB ChEMBL
315255,CC(=O)C1C2CC(C)C1CC2C,1,GDB ChEMBL
56676,CNC(=O)CC(=O)CN1CCNC(=O)NC1=N,1,GDB ChEMBL
287376,CC1([NH3+])COC2CC1C([NH3+])C1CCC[NH+](C2)C1,0,GDB ChEMBL
140817,COC1(C(N)=O)C[NH2+]C(C)C1O,0,GDB ChEMBL
252591,C#CC(C)(C)C(C)CCCC(F)(F)F,1,GDB ChEMBL
47404,C#CCn1cc2cc1COCC(C)CCO2,1,GDB ChEMBL
28201,CCCC(=O)N(C=CC=O)CC#N,1,GDB ChEMBL
343280,CC#CCCc1ccc2c(c1)C=CC1CC21,1,GDB ChEMBL
247189,CC1C(O)C(O)C(O)C[NH+]1C,0,GDB ChEMBL
337091,Cc1n[nH]cc1CC1CC1O,0,GDB ChEMBL
304852,CCOC1(C#N)C2C[NH2+]C1C2C(=O)[O-],0,GDB ChEMBL
149301,COCC1[NH2+]C(C=O)CC1(C)O,0,GDB ChEMBL
137107,O=C([O-])CC(=O)Nc1ncsn1,1,GDB ChEMBL
17481,CS(=O)(=O)CC(C(O)C(=O)NC=O)N1CC1,0,GDB ChEMBL
382621,N#CC(N)(CC(=O)NC(N)=O)C(N)=O,1,GDB ChEMBL
331480,CC1(C)COC(C2CC=CC2C(=O)[O-])C1,0,GDB ChEMBL
271500,CC1CC(=O)NC(C(=O)CO)C2[NH2+]CC1C2C,0,GDB ChEMBL
70824,C#CC=CC=Cc1cccc(Br)c1,1,GDB ChEMBL
150146,N#CCNC(=N)C1OC1C(N)C(N)=O,0,GDB ChEMBL
21588,CC1CC(=O)CC2CCC1C2O,1,GDB ChEMBL
246943,CC#CCCCC1=CCCOC1,1,GDB ChEMBL
345432,Cc1c(NC(C)C(C[NH3+])CO)cnc(O)c1I,0,GDB ChEMBL
285701,C#CC1(OCCC)CCCC(CC)CC([NH3+])C1,0,GDB ChEMBL
252658,C#CC1C(CC(C)=O)NS(=O)(=O)C1COC,0,GDB ChEMBL
244359,NC(=O)C12C=CC(C1)N2CCO,0,GDB ChEMBL
205971,CC(C1OC(=O)NCC(C)(C)O1)C(O)C(N)=O,0,GDB ChEMBL
58997,C[NH2+]C1CC1C(O)C(N)C#N,0,GDB ChEMBL
45011,C#CCCCC1C#CCCCC=CC1,0,GDB ChEMBL
163368,CCCCC(CC[NH3+])N1CC(N)=[NH+]CC1CC,0,GDB ChEMBL
225436,CCC(CN(C)C(N)=[NH2+])OCCC(N)=O,0,GDB ChEMBL
155184,CC1[NH2+]CC(N)C2OCC3CC3C12,0,GDB ChEMBL
44551,C[NH2+]CC1CC2[NH2+]C(C)CC1C(O)C2C,0,GDB ChEMBL
310330,CCOC(C)Cn1c(CO)cnc1C[NH3+],0,GDB ChEMBL
214758,C[NH2+]C1C(N)C1(O)C(O)C(C[NH3+])OC,0,GDB ChEMBL
323370,CC1(C)CC2[NH2+]CC3CCC1CC32,0,GDB ChEMBL
132694,CCN1CC1C(C)(CO)C(CO)C(=O)[O-],0,GDB ChEMBL
94655,CCCCCC1=CC(C)(C[NH3+])C(O)C1(C)C,0,GDB ChEMBL
265299,NC(C1=NCCOCCCC(=O)O1)C(O)CO,0,GDB ChEMBL
244510,CCC1CC2C(C)CCC(C2C)C(C)(C)C1,0,GDB ChEMBL
45692,CCC[NH2+]CC12CCC(C(=O)[O-])(C(C)[NH2+]1)C2C,0,GDB ChEMBL
375894,CC1CC1C(O)CC1CC1[NH+](C)C,0,GDB ChEMBL
48017,C#CC1(O)CC(C)C(CC(C)(C)CC)CC1C,0,GDB ChEMBL
67397,CCC1CC2[NH2+]CC1OC(C#N)CCC2O,0,GDB ChEMBL
12745,C[NH2+]C(C)C1(O)C(=O)OC(C(=O)[O-])C1O,0,GDB ChEMBL
89319,CCOc1c(F)cc(CC=O)cc1OCCO,1,GDB ChEMBL
320462,O=C1NCC23COCCC(CO)C2C3C1O,0,GDB ChEMBL
326438,CC(C)C1(C(C)CC2CC[NH2+]2)CC1,0,GDB ChEMBL
398709,CC1CC2(C#N)C(C(N)=O)C2(C)CC1O,0,GDB ChEMBL
374314,CC1(C(=O)C(=O)[O-])CC[NH2+]C1,1,GDB ChEMBL
191701,CC(=O)C1OCCCCCN(C(C)=O)CCO1,1,GDB ChEMBL
287378,NC(=[NH2+])C1(CC(N)=O)COC(=O)NCCC1=O,0,GDB ChEMBL
155814,C#CCCC1(CCC)CC(O)C(C)(OC)C1,0,GDB ChEMBL
307947,CC1CC2(C)CC(CCC(O)C1O)CO2,0,GDB ChEMBL
197205,CC#CC1=CCCC1c1cccc(Br)c1,1,GDB ChEMBL
228503,N=C(N)N(C=O)C(=O)C(=O)OCc1ccsc1,1,GDB ChEMBL
103913,CC1CCOC2CC[NH2+]C2C(O)C1N1CC1,0,GDB ChEMBL
160974,C[NH2+]CC#CC1OC1(C)CC([NH3+])CN,0,GDB ChEMBL
194724,CCOc1cc(N)c(S(=O)(=O)CC)c(Cl)c1,1,GDB ChEMBL
195488,CCC(=O)OCC1=C(C)NCCC1=O,1,GDB ChEMBL
353562,C#CC1CC(C)(C)C1N(C=O)CCCC[NH3+],0,GDB ChEMBL
51080,CCCC1OCCC2C(C)CCC12,1,GDB ChEMBL
213989,CC1OCC(O)COCC1C([NH3+])C(=O)N(C)C,0,GDB ChEMBL
300516,CC12CN1CC2NC(=O)C[NH3+],0,GDB ChEMBL
32051,CCOC(C(C)[NH3+])C(C(N)=[NH2+])C(N)=[NH2+],0,GDB ChEMBL
311687,CCC1CCC(C(C)[NH3+])C(C)O1,0,GDB ChEMBL
279275,C#CCC(=O)N(C)C(C)(CC)CC(C)C,1,GDB ChEMBL
143139,C=CCc1sc(CCCO)nc1N,0,GDB ChEMBL
292339,CCCCC1CC=CC(=O)C1,1,GDB ChEMBL
234517,CCC1COC(C(C)O)C1C,0,GDB ChEMBL
315264,CCOc1ncnc(NC)c1NCCC(C)=O,1,GDB ChEMBL
334438,N#CC(CCNc1nc[nH]n1)C(N)=[NH2+],0,GDB ChEMBL
164689,CC(COCC[NH2+]C1CC1)OS(N)(=O)=O,1,GDB ChEMBL
375562,CC1NC(CO)C(C(C)(C)O)CC1(N)C#N,0,GDB ChEMBL
78344,CC1C(O)CC2C(CS(C)(=O)=O)C[NH2+]CC12,0,GDB ChEMBL
26859,CNC(C#N)C1C2C(=O)C(CC2C)CS1(=O)=O,0,GDB ChEMBL
316101,C=C1CCCCCC(CC=CC)C1,1,GDB ChEMBL
320771,C1CC2C[NH2+]CC1N2c1nn[nH]n1,0,GDB ChEMBL
286140,[NH3+]C1CCC2CC3(C=C2C1)CCCC3,0,GDB ChEMBL
225385,CCC(C)N1CC2OC(=O)C21,1,GDB ChEMBL
106010,CCCC1OC(CO)C1(C=O)C(N)=[NH2+],0,GDB ChEMBL
121704,CC(=O)C[NH2+]C1CC1(CO)CCO,0,GDB ChEMBL
288962,CC1OC2CCC1C(O)C2,1,GDB ChEMBL
287319,CC12CCCCC1C21CCC[NH2+]1,0,GDB ChEMBL
281037,C[NH+](C)C1CCC(O)C1N,0,GDB ChEMBL
60978,CC1CCCOC2C=C(C1)CC2C,0,GDB ChEMBL
115890,CC1CNC(=O)C(=N)OC(CC#N)C1,1,GDB ChEMBL
337436,CCC(C)(CCC(C)C[NH3+])OC(C)CC#N,0,GDB ChEMBL
366502,CC(C(N)=O)C(N)CNC(=N)NC=O,1,GDB ChEMBL
38938,CC1C(=NO)CN1CC(=O)OCCC#N,1,GDB ChEMBL
387326,C#CC1CC2CC(CCCC)[NH2+]C2C(OC)O1,0,GDB ChEMBL
305576,CCNc1cc(=O)sc(CC[NH2+]C)n1,0,GDB ChEMBL
103447,CCCC12CC(C)C(CC)CC(O)C1C2,0,GDB ChEMBL
398746,CC1NC(=[NH2+])C(C)(O)CC(=O)NC1CO,0,GDB ChEMBL
119699,CC1(c2ccc(C(F)(F)F)cc2F)CC1,1,GDB ChEMBL
337078,CCc1cc2cn(CC(C)(C)O)cc2c(=O)o1,0,GDB ChEMBL
398894,NC(=O)NC1CC(CO)[NH2+]CC1O,0,GDB ChEMBL
194242,O=c1cn[n-]c2c1C[NH2+]CCCC2,0,GDB ChEMBL
376634,CCCCC(C)(C)C1C(C)C1CC[NH3+],0,GDB ChEMBL
299752,Cc1ccccoc(C)cc(=O)c1,0,GDB ChEMBL
17327,C#CC=C1CCc2cccc(F)c21,1,GDB ChEMBL
136056,C[NH+]1C(CC2CC2)CC2CC21,0,GDB ChEMBL
163365,CC(CCCC[NH+](C)CCO)COC=O,0,GDB ChEMBL
334339,OCC(CO)OC=NC1CCCC1,1,GDB ChEMBL
320804,NC(=O)OC1COS(=O)(=O)NCC1O,0,GDB ChEMBL
124105,CCC1(C)CC(=O)OC2C=CCCC(C2)C1,0,GDB ChEMBL
387202,CS(=O)(=O)N1CC(N)(C(N)=O)C1C#N,1,GDB ChEMBL
28309,Cc1ccc(CCC[NH3+])c2c1CCC2,0,GDB ChEMBL
174632,CC1C(O)C1([NH3+])C1C(=O)NC(=O)NC1CO,0,GDB ChEMBL
252567,COC1C(NC(N)=O)CC(O)C(=O)C1O,1,GDB ChEMBL
257995,CN(CC1CC(=O)C1)C1C[NH2+]C1,0,GDB ChEMBL
11747,CCC1CC(C)CCCC2CCC1(C)CC2C,0,GDB ChEMBL
72383,CCC1C[NH+]2C(CC)CC(OC)CC1C2C,0,GDB ChEMBL
310998,CCC(C#N)CCCC1CCCOC2CC12,0,GDB ChEMBL
160824,CC(C=O)CNc1cc[nH+]cc1NC(=O)C=O,0,GDB ChEMBL
112104,CN1CC(CCCNC(N)=[NH2+])C(NC=[NH2+])C1=O,0,GDB ChEMBL
194737,CCC1N(C)C(=[NH2+])C1(CO)C(N)COC,0,GDB ChEMBL
74302,CCCCC1C=CC(CC)CCC2(CC2)C1,0,GDB ChEMBL
258353,CCCC1(C)C(CC)C2CC(C)C1(C)C2,0,GDB ChEMBL
77788,[NH3+]CC1C2CN(C=O)CCNC12,0,GDB ChEMBL
236596,CCC1CCC2CC(=O)OCC2(OC)C[NH+]1C,0,GDB ChEMBL
31266,CC1=CCC(CC(C)(C)O)C2C(C)OCC12,0,GDB ChEMBL
157492,C#CC(CC)CCCC(C(C)C)C(C)CCC,0,GDB ChEMBL
126399,CCC(C)(C)[NH+]1CCCCCC(C)C1C,0,GDB ChEMBL
292902,CC(C=O)C(=O)OC1CC1C(N)=O,1,GDB ChEMBL
77255,CC(C)[NH+]1Cc2ccc(N)c(Cl)c2C1,0,GDB ChEMBL
283453,CCCC(C)(C)[NH+]1CCCC1,0,GDB ChEMBL
204634,[NH3+]C1C(NC=O)CC2OCCNC21,0,GDB ChEMBL
193208,NC(C[NH2+]CC(=O)[O-])C1NC1CO,0,GDB ChEMBL
113519,CC[NH2+]CC(N)C(=[NH2+])NC,0,GDB ChEMBL
12867,C#CC1(C)c2ccc(F)c(C)c2C(C)C1CC,0,GDB ChEMBL
133052,CNC(=O)C(OC=O)C(O)C#N,1,GDB ChEMBL
380565,CC1=CC2C(C[NH3+])C(C1)C(O)C2C(C)(C)C,0,GDB ChEMBL
227949,CCCC1(C)CCC(C)(CC(C)C)C(C)CO1,0,GDB ChEMBL
218772,COC1C(O)CC(CC(N)=O)C1C(C)[NH3+],0,GDB ChEMBL
259366,CC[NH2+]CC1(CC)C(=O)OC1C(C)(C)O,0,GDB ChEMBL
304366,C#Cc1cnc2c(F)cc(C)c(C)c2c1C[NH3+],0,GDB ChEMBL
81012,CCNC(=O)CC1([NH3+])C(O)C([NH3+])C(C)C1(C)C,0,GDB ChEMBL
74333,C#CCCCc1cc(C#C)c(CCO)nc1C,0,GDB ChEMBL
174226,CC#CCNC(=O)CC12CC(CC1=O)C2,1,GDB ChEMBL
290110,COc1c(Br)nc2c(c1C(C)=O)[NH+]=C(N)NC2,0,GDB ChEMBL
151798,CC(C)(C(=O)[O-])C1C[NH2+]C1,0,GDB ChEMBL
349605,C#CCN1CC(O)CC2C1C2(C#N)CC,0,GDB ChEMBL
104418,CC(CO)C1CCC2C(C[NH3+])C2[NH2+]1,0,GDB ChEMBL
223294,CC12CCCC([NH3+])CC1CCC1CC12,0,GDB ChEMBL
33133,CC1[NH2+]C2CCC3COCC1C2O3,0,GDB ChEMBL
54127,CCN1C(=[NH2+])NC2(C(C)(O)C(=O)[O-])CC12,0,GDB ChEMBL
95875,CCC1CCC(C)C2C(CC3CC3)C12,0,GDB ChEMBL
388400,NC(=[NH2+])C(N)C1OCC(C[NH3+])C1O,0,GDB ChEMBL
207340,CC1C2C(O)C2(C)C2CCC[NH+]12,0,GDB ChEMBL
26994,CCN1C(=N)NCC(O)(CCO)CNCC1=O,0,GDB ChEMBL
362814,CC(C)[NH+]1C(C)CC2C=CCC1CC2,0,GDB ChEMBL
62068,CC1OCCN(C=O)C1C,1,GDB ChEMBL
26010,CC1CC2C[NH2+]C2C2CCCC12,0,GDB ChEMBL
341312,C#CC1C(C)CC(C)CCC1(C)C,1,GDB ChEMBL
184484,CC(C[NH3+])n1cc(CO)cc1[N+](=O)[O-],0,GDB ChEMBL
29246,Nc1ccc(NC(=[NH2+])c2ccoc2[O-])cc1F,0,GDB ChEMBL
120533,C[NH+]=C(CCC(O)CO)N1CC2C([NH3+])C2C1,0,GDB ChEMBL
261462,CN1CC1c1n[nH]c(=O)cc1C(N)=O,0,GDB ChEMBL
234972,CN1CC(=O)NC(=O)OC(C[NH3+])C1,0,GDB ChEMBL
285721,Cc1cc(CC[NH3+])co1,0,GDB ChEMBL
368506,CC1CC=C(CCC(F)(F)F)C=CCCC1,1,GDB ChEMBL
2156,Nc1cc(S(=O)(=O)[O-])cc(=O)c(O)c1C=O,0,GDB ChEMBL
50306,CC([NH3+])C1C(=O)NCCC(=O)N1C1CC1O,0,GDB ChEMBL
310778,COC(=O)c1nn(C)c2n[nH]c([O-])c12,0,GDB ChEMBL
8664,[NH3+]C1CNC(=O)C12CNC(=O)O2,0,GDB ChEMBL
114769,CC([NH3+])C(C(N)=O)C1C(C(=O)[O-])N1C=O,0,GDB ChEMBL
30337,NC(=O)N1CC(=O)N2CCC3(O)C1C23,0,GDB ChEMBL
268144,NC(=O)NC(=O)OCCOCCO,1,GDB ChEMBL
357646,CCC1CC=C(CCC2(C[NH3+])CC2)C(C)C1,0,GDB ChEMBL
203866,C#CC1CC(C)C2[NH2+]CC(O)C2C1,0,GDB ChEMBL
340520,COC1(C)CCOCCCOC(CO)CC1=O,0,GDB ChEMBL
150529,CCC1CCC2CCC2(C)CC[NH2+]1,0,GDB ChEMBL
244335,CCC1=CC(CC)C2(C)CC(C)C[NH+](C1)C2,0,GDB ChEMBL
214713,CC([NH3+])CC(OCC(=O)[O-])c1nc(CO)co1,0,GDB ChEMBL
302273,C#CCCc1ccc2cc(Br)cc(CC)c2c1,1,GDB ChEMBL
285736,COC1C=CCC(O)C2CC12C1CC[NH2+]C1,0,GDB ChEMBL
89661,C#CC(C)C[NH+](C)C(C)CC,1,GDB ChEMBL
263847,C#CC1CC1C(CCC)COC,0,GDB ChEMBL
175693,CC(C)C(CO)n1ccnc1,1,GDB ChEMBL
87537,COc1ccnc(C(=N)N)ncn(C)c1,0,GDB ChEMBL
398177,N=C1[N-]C(=O)OCC2[NH2+]CC(O1)C2O,0,GDB ChEMBL
305319,NC(=[NH2+])CC(O)CCN(CC[NH3+])CC[NH3+],0,GDB ChEMBL
350898,CCC([NH3+])C(O)C([NH3+])C1CC1(C)OC,0,GDB ChEMBL
150000,CC1CC[NH+](C)C(C)C2CC(=NO)CC2C1,0,GDB ChEMBL
148212,CN(C)Cc1cc(I)c(N2CCC2)cc1I,1,GDB ChEMBL
140305,CCCNCC(=NCC)N(C)C(=[NH2+])NCC,0,GDB ChEMBL
291488,CCc1cc(N)c(Cl)c2cc(C#N)[nH]c12,1,GDB ChEMBL
111473,COc1cc(CCCO)sc(=N)n1,0,GDB ChEMBL
169402,CC1CCC(C)[NH2+]C2CC2CC1,0,GDB ChEMBL
108738,CCC(=O)N1CC(O)C([NH3+])CC(C)(O)C1C,0,GDB ChEMBL
75448,CCC1[NH2+]CC(C)OCC1(C)N,0,GDB ChEMBL
379719,CC(=O)n1ccc2occc21,1,GDB ChEMBL
227754,[NH3+]CC12C3NC(=O)C1C2[NH2+]C3C(=O)[O-],0,GDB ChEMBL
9849,CC1=C(C2CC2O)CCc2c(Cl)cccc21,0,GDB ChEMBL
360959,CC1CC(C)C2C(C1)[NH2+]C1CCCC2C1(C)C,0,GDB ChEMBL
353246,CCc1nc(Br)cnc1CC#N,1,GDB ChEMBL
118428,CCCC(C)C(C#CCCC(C)C)CC,1,GDB ChEMBL
122939,[NH3+]C12C=C(CC(=O)[O-])C(C1)[NH2+]CC(O)C2,0,GDB ChEMBL
292296,CC1CC[NH2+]C(C)C(C)(C)C=CCC1[NH3+],0,GDB ChEMBL
345804,CC1CC2(C(C)[NH+](C)C)CC1CC2CO,0,GDB ChEMBL
34942,CN1C(C(N)=O)CC2C1C(=O)C1CN1S2(=O)=O,0,GDB ChEMBL
26370,CC(CCC1(C(C)C)CCCCC1)C(C)(C)C,1,GDB ChEMBL
60649,N#C[C-](C#N)N(C(N)=O)C(N)=O,0,GDB ChEMBL
3003,CC(C(=O)NCC(C)(C)C)C(C)(O)CO,1,GDB ChEMBL
153302,CC12CC[NH+](C3CC3)CC1CO2,0,GDB ChEMBL
50928,CCC(=O)C1(CC)C(=O)NC(=O)CC1O,0,GDB ChEMBL
375742,CC(N)C(C#N)C1CC[NH2+]1,0,GDB ChEMBL
157450,CCC1C([NH3+])C2OC1C2N(C)CC,0,GDB ChEMBL
383095,C#CCC(O)c1c(C)cc(Br)nc1C,1,GDB ChEMBL
288143,C[NH2+]CCn1c(N)c[nH+]c1N,0,GDB ChEMBL
121525,CCCC1CN1c1c(I)ccc(C)c1C,1,GDB ChEMBL
352589,[NH3+]CC(CO)CC1C=CNC(=O)N1,0,GDB ChEMBL
6538,C#CCCCC1C2CC(=O)N(C)C1C1CC21,0,GDB ChEMBL
363032,CNC(=O)C(CCOC)C(N)=[NH2+],0,GDB ChEMBL
245556,CCC1(C2CC2)CCC(=O)C1,1,GDB ChEMBL
74348,CC(=O)C1NCC(=O)CCc2c(C)nn(C)c21,0,GDB ChEMBL
140265,C#CC1CC(CCO)([NH2+]C)CN1,0,GDB ChEMBL
98558,CC1CC=CCC(C)OC(C2CN2)C1,0,GDB ChEMBL
253591,N=C1NC(=O)C2C([NH3+])C(O)CC1N2C(=O)C[NH3+],0,GDB ChEMBL
68509,C[NH2+]Cc1c(F)c(F)cc(O)c1C1CO1,0,GDB ChEMBL
386610,Cc1cc2c(cc1Cl)CCC(C)CCC2,1,GDB ChEMBL
225381,CC1C2CCCC1C(C)C1(CC1)C2C,1,GDB ChEMBL
375835,CC(C)C1C2CCCC(C)[NH+]21,0,GDB ChEMBL
50858,CCC12CCC(C(N)=O)(CO1)C(=O)O2,1,GDB ChEMBL
207331,CC(=O)C(C)(C)Nc1c(O)ccnc1N,1,GDB ChEMBL
256029,C[NH2+]CC[NH+]=C(N)C(CO)C(C)(C)C1CO1,0,GDB ChEMBL
318003,COC(=O)C1C(O)C(CCO)N2CC12,0,GDB ChEMBL
225177,CCC(CC=O)c1sc2ccccc2c1C,1,GDB ChEMBL
34232,C#CC1CCC(=O)C(C)C[NH2+]1,0,GDB ChEMBL
184277,CC#CCN=C(N)CO,1,GDB ChEMBL
169461,C#CC1(O)C[NH+](C)CC1C(C)OC,0,GDB ChEMBL
285702,CN(C)Cc1ccc([N+](=O)[O-])c(Br)c1Br,1,GDB ChEMBL
203847,CCNC1(C#N)CC(O)C1N,0,GDB ChEMBL
385349,N#C[C-](C#N)CO,0,GDB ChEMBL
63156,C#CCCC(C)(C)C(C(C)C#C)C(O)CCC,0,GDB ChEMBL
23454,CC1C(O)C2C(CO)CC1[NH+]2C,0,GDB ChEMBL
211007,CC#CCC1C(C)CC(CC)C2CCCC12,0,GDB ChEMBL
57320,CCN1C=[NH+]C(C)C12CCOC(=O)C2COC,0,GDB ChEMBL
305835,CC(CC1CCCC1C)CC1[NH2+]CCCC1C,0,GDB ChEMBL
345475,CCCN1CC1Cc1ccc(I)cc1,1,GDB ChEMBL
49129,CCc1cc(Br)c(Br)cc1N(C)C,1,GDB ChEMBL
318116,N#CCc1ncsc1CC[NH3+],0,GDB ChEMBL
127743,CCC1=CCC2C(C)CCCC2(C)C1C,0,GDB ChEMBL
240362,CC12C(=O)NCC(CC3CC31)C2O,0,GDB ChEMBL
116361,CCC1Cc2c(O)c(Br)cc3c2C(CC3)[NH2+]1,0,GDB ChEMBL
330792,CC(C)C(C)C(C1CC1)C(C)(C)C,1,GDB ChEMBL
29227,C#CCC(C)C(C)(C)C1CCC(CCCC)C1,0,GDB ChEMBL
289995,CC=C(CC)C[NH+]=C(N)NC(N)=[NH2+],0,GDB ChEMBL
115980,Cc1nc([O-])c(C#N)cc(=O)n1,0,GDB ChEMBL
133026,C#CC1(O)C[NH+](C)C(CC#CC)C1(C)C,0,GDB ChEMBL
307997,CCC1C2C(C)C(C)C1C2CC(C)C,0,GDB ChEMBL
390068,CCCCCCCC1(C(C)CC)C[NH2+]1,0,GDB ChEMBL
136040,C#CCN1CC(=O)C2(O)CCC(CC)C2C1=O,0,GDB ChEMBL
112480,C=CCC1C[NH2+]CC(C)CC12CC2,0,GDB ChEMBL
247630,[NH3+]C1CC(=O)NC(CC2CC3CCOC32)C1,0,GDB ChEMBL
377008,[NH3+]C1C(C(=O)[O-])C2CCC13OC23,1,GDB ChEMBL
61750,CC(O)(CCO)C(C(=O)[O-])C(O)C[NH3+],0,GDB ChEMBL
194222,CC1CCCC(O)(CO)CC2CC2C(O)C1,0,GDB ChEMBL
376969,NC(=[NH2+])NCC1CCC1=O,0,GDB ChEMBL
63112,Cc1ccc(I)c2c1COC2,1,GDB ChEMBL
224029,CCC([NH3+])C1(C)NC1C(=O)[O-],0,GDB ChEMBL
114755,CC(O)C1C(O)CC(CO)OCC1([NH3+])C(=O)[O-],0,GDB ChEMBL
255448,N#Cc1cc(O)c2[nH]c(=O)c3c[nH]nc(n1)c23,0,GDB ChEMBL
299188,CC1CC(O)CC([NH3+])C1CC(=O)[O-],0,GDB ChEMBL
77384,N#CC(NCc1nc(CO)no1)C(N)=O,1,GDB ChEMBL
124763,CCCC(CC1CCC1)CC1CC=CC1C,0,GDB ChEMBL
339065,CCCC1CC2(C)CCCC2(C)C1,1,GDB ChEMBL
284403,CC(C)(C(=O)[O-])C1CNC(=O)c2nc(O)sc21,0,GDB ChEMBL
323359,N#CCC1CCCCO1,1,GDB ChEMBL
361790,CCC1CC2(C)CCC[NH+]2C1CN,0,GDB ChEMBL
716,CC1=CCC(C)(C)c2c(Br)cccc2CC1,0,GDB ChEMBL
28203,CC1(O)CC([NH3+])C2OC(C(=O)[O-])C(O)C21O,0,GDB ChEMBL
271511,CC(=O)OC1CC(O)CCN=C(C)NC1=O,1,GDB ChEMBL
374178,Cc1cnn(CC2C[NH2+]C2(C)C)c1C,0,GDB ChEMBL
115728,CCC1(C)CCC=CC(C)CCC1,1,GDB ChEMBL
300002,CCC1CC=C(C[NH3+])CO1,0,GDB ChEMBL
276049,CC(O)C1CN2C(=O)NC3C(C[NH2+]1)C32,0,GDB ChEMBL
350297,CC(C)CCCC1=CC[NH2+]CCC1,0,GDB ChEMBL
61493,C1=CCC2CCC(CC=CCC1)O2,1,GDB ChEMBL
131626,CNC(=O)NC1C(O)(C[NH3+])COC1(C)C(=O)[O-],0,GDB ChEMBL
394877,[NH3+]CC1C2CC([NH3+])(CO)CC([NH2+]2)C1O,0,GDB ChEMBL
77478,N#CC1NCC(C[NH3+])C1O,0,GDB ChEMBL
150111,CC1C[NH2+]C(C)C1C(F)(F)F,0,GDB ChEMBL
306261,O=C(c1ccncc1I)C1CC1,1,GDB ChEMBL
7827,N#CCN(CC1=CC[NH2+]C1)CC([NH3+])CO,0,GDB ChEMBL
207695,NC(=[NH2+])NCC(O)C([NH3+])CC1C([NH3+])C1O,0,GDB ChEMBL
202798,CC(O)C1CCNS(=O)(=O)OC1,0,GDB ChEMBL
124245,CC#CC1(Cc2cncn2C)CCOCO1,0,GDB ChEMBL
228406,CNc1csnc1CC(=O)[O-],1,GDB ChEMBL
200963,CCC(C)C1=CC2CN(C(C)=O)C2C1,0,GDB ChEMBL
330344,N=CN(C=O)CC(=O)NC(=N)N,1,GDB ChEMBL
124761,C#Cc1cc(C)cc(CC(C)CCCC)c1C,1,GDB ChEMBL
47200,CC(O)C(CS(N)(=O)=O)N(C)C,1,GDB ChEMBL
362955,CC[NH2+]C(CC(=O)OCC(N)=[NH2+])C(O)C(N)=O,0,GDB ChEMBL
121530,NC(=[NH2+])N1CCC2CC(C[NH2+]2)C1,0,GDB ChEMBL
307519,C[NH2+]CC(C)C(C#N)CC(=N)OC,0,GDB ChEMBL
284397,CCC1CC(O)C2(C1)C1CCC2CC1,0,GDB ChEMBL
214381,C#CC(C(=O)CCO)C(=O)OC,1,GDB ChEMBL
66145,CCC1C=C2CCCC(C(C)C)C2C1,1,GDB ChEMBL
131880,N#CCC(N)C1OC(C(N)=O)CC([NH3+])C1C[NH3+],0,GDB ChEMBL
79287,N#Cc1cc(Cl)[nH]c(=N)n1,1,GDB ChEMBL
314136,COC(CO)C(C1CC1)C1C[NH2+]1,0,GDB ChEMBL
278221,C#CC1OC(CCCC)C(C)(C(C)CCO)O1,0,GDB ChEMBL
166465,CC#CC(C)C1CN1CCCO,0,GDB ChEMBL
56619,C#CCC1CCCCC(OCC)C(C)CCC1,0,GDB ChEMBL
118451,C[NH+]1CCC2CN(C2)C(C)(C(N)=O)C1,0,GDB ChEMBL
237999,CC#CC(C)(CC1[NH2+]CC1C#N)C(=O)[O-],0,GDB ChEMBL
216166,CC([NH3+])C(CS(N)(=O)=O)C(O)C[NH3+],0,GDB ChEMBL
4722,[NH3+]CCc1nc(O)c(O)cc1I,0,GDB ChEMBL
70976,C#CC1CC2C([NH3+])CCC1(C)C2CC,0,GDB ChEMBL
125588,COC(C)C[NH2+]C1CCC(CCO)N(C)C1=[NH2+],0,GDB ChEMBL
259642,CC(CCCC[NH3+])OC(C)(C)C(O)CO,0,GDB ChEMBL
26380,CNS(=O)(=O)CC1C([NH3+])C1(N)C(=O)[O-],0,GDB ChEMBL
279114,Cc1ccc2c(c1C)C(=O)CC2,1,GDB ChEMBL
79637,CCC1C2CC1(O)CC(C)C(C)N2C(C)=O,0,GDB ChEMBL
101887,COCC1C2CCC1(C)C1CCC2(C)[NH+]1C,0,GDB ChEMBL
260174,CCC1(C#N)OC2CC(=O)NC1(CO)C2,0,GDB ChEMBL
99426,CCC(O)C1C(=O)CC(C(=O)[O-])C12CO2,0,GDB ChEMBL
7367,C[NH2+]C(C(=O)[O-])C1C(O)(CO)CNC1(C)C[NH3+],0,GDB ChEMBL
227942,O=C1NC2CCCC(O)C3C1C23,1,GDB ChEMBL
230423,CCC([NH2+]C)c1nc(C(C)CC(C)=O)c(C)[nH]1,0,GDB ChEMBL
269229,C#Cc1ncc(C(C)C(CC)NC(N)=[NH2+])nn1,0,GDB ChEMBL
259505,CC1=CC(C)(C[NH+]2CCC2)OCCC1O,0,GDB ChEMBL
213993,CCC(C)CCc1cn(C)ccc1=NC(C)C,1,GDB ChEMBL
95937,C#CC(C)(C)CC[NH2+]Cc1cc(F)ccc1C,0,GDB ChEMBL
1094,C=C(CC[NH+](C)C)CC(=C)C(C)C,0,GDB ChEMBL
92350,C=CC(C)CC1C2C[NH2+]C(C2)C1O,0,GDB ChEMBL
121778,CC1(O)CCC(CC[NH3+])C1[NH3+],0,GDB ChEMBL
307926,CC1(CCC#N)COC(=O)NC1=O,1,GDB ChEMBL
358913,CC(CC1(C)OCCC1C)c1ccco1,0,GDB ChEMBL
284323,N#CC(CC1CC([NH3+])C(=O)N1)C(N)=[NH2+],0,GDB ChEMBL
180036,CCc1c(Cl)c(C)cc2c1OCCCN2,1,GDB ChEMBL
335467,CCC1=CC(C2CC2)C(=O)NC1,1,GDB ChEMBL
301404,[NH3+]C1(CCO)CNCC2C(=O)NCCCC21,0,GDB ChEMBL
227631,C#CC1CCCC(CCCC)C(C)C1,0,GDB ChEMBL
185951,CC1CCc2c(csc2CC2CCCC2)O1,1,GDB ChEMBL
2107,C#CCCOCC(C=C)[NH2+]CCC,0,GDB ChEMBL
20531,CCC12CC(O)C3CN1C2C(=O)N3,0,GDB ChEMBL
61526,CCC1[NH+](C)C(C)CC1(C)CC(F)(F)F,0,GDB ChEMBL
288551,Oc1nc2c(c3c1C[NH2+]CCO3)OCOCC2,0,GDB ChEMBL
643,CCCC([NH3+])C1(OCC)CCC(C(N)=O)CC1,0,GDB ChEMBL
290561,CC(CC(N)=[NH2+])C1CCC=CCC1CC#N,0,GDB ChEMBL
125589,C#CC1c2c(ccc(F)c2C)CC1(C)C(C)C,0,GDB ChEMBL
246781,C#CCC(C)C(=C)C#CCCCC,1,GDB ChEMBL
74350,COCc1ncnc(N)nccs1,0,GDB ChEMBL
245863,CC1C(O)C2[NH2+]CC23C(=O)NC(=O)N(C)C13,0,GDB ChEMBL
222077,CCC([NH3+])C1CC(COCC(O)CO)C(=[NH2+])N1,0,GDB ChEMBL
322956,CC1=CCC[NH2+]CC(C(=O)N(C)C)=C1,0,GDB ChEMBL
338506,C[NH2+]C(C)c1c(C#N)nc2nc(N)c(C)cn12,0,GDB ChEMBL
263257,NC=[NH+]CC(N)C[NH2+]CCCNC(N)=[NH2+],0,GDB ChEMBL
124129,CCC(C)C1C(O)CCCC1CC,1,GDB ChEMBL
73807,CC1CCCC2(C)C(CCC3COCCC32)C1,0,GDB ChEMBL
383056,C#CCCCCC1CC(CC)C(C)(C)O1,1,GDB ChEMBL
313321,CCC(=O)NCC(C)[NH+](C)C1(C)CCC(O)C1,0,GDB ChEMBL
102167,CCc1ccc(I)c(C2CC2C)c1C(C)C,1,GDB ChEMBL
33136,N#CC1(CC[NH3+])CC(=O)N(CCO)C(N)=N1,0,GDB ChEMBL
10625,Cn1cnc(CNCC#CC(=O)C#N)c1,1,GDB ChEMBL
334143,CC(C)C1C2C(C)(C)CCC12C(=O)[O-],0,GDB ChEMBL
328898,C#CCCC1(C(C)OCC(C)C)CC1,1,GDB ChEMBL
322851,CC1CC(S(=O)(=O)[O-])C(CO)OC1=O,0,GDB ChEMBL
330501,CCc1ccc(O)c2c(CC(C)(C)C)ccn12,1,GDB ChEMBL
361171,CNC(=[NH2+])N1C(C(=O)[O-])C1C(C)O,0,GDB ChEMBL
217406,C#CCCC1(C)CC(C)[NH+](C)CC1CC,0,GDB ChEMBL
395596,CC1CC2C(C)C=CC(C)C2C(C)(C)[NH2+]1,0,GDB ChEMBL
248274,CC1CC2OC(CC2C(N)=[NH2+])C(O)C[NH+]1C,0,GDB ChEMBL
383937,CCC(c1onc(OC)c1C[NH3+])N(C)C(C)=[NH2+],0,GDB ChEMBL
352628,CC(O)(CNC(=[NH2+])CC(O)C1CC1)C(=O)[O-],0,GDB ChEMBL
1069,CC1CC(OC(=O)N(C)C=O)CC(=O)CN1,1,GDB ChEMBL
79332,[NH3+]C1C(CO)c2sccc2C1C(=O)[O-],0,GDB ChEMBL
378134,CC1OC(C(N)=O)C(C(O)C(O)CO)CC1=O,0,GDB ChEMBL
307593,CC=CCC1(CCC(C)C)COC1,1,GDB ChEMBL
29249,CC1=CC(=[NH2+])NCC1NCCC(N)=O,0,GDB ChEMBL
337767,CC(=O)NC1(C[NH2+]C(C)(C)CC#N)CCOC1,0,GDB ChEMBL
235556,CC=CC[NH+](C)CC#CC(F)(F)F,0,GDB ChEMBL
147275,C#CC1CCc2c(OC)cnc(O)c2N1C,0,GDB ChEMBL
46869,CC(C)(CCNCC(C#N)=N[O-])OCCO,0,GDB ChEMBL
128265,CCC(C)C(C)(C)CC1CC(C)CCC1(C)C,1,GDB ChEMBL
330526,CCC(C)CCC(C)C1CCCC(C)CCC1,0,GDB ChEMBL
354814,C#CC1C(O)CC(C)OC1C,1,GDB ChEMBL
105112,Cc1ncc(C#N)c(N)c([N+](=O)[O-])c1=O,0,GDB ChEMBL
233926,CCCCC(CC#N)(CCCC)C[NH+]=C(C)N,0,GDB ChEMBL
28228,CCC(C#N)(C#N)NCC=O,1,GDB ChEMBL
304654,CC([NH3+])C(C)(O)C(C)C[NH3+],0,GDB ChEMBL
161018,CN(C)c1[nH+]c(CCC(N)=O)cc(=O)nc1N,0,GDB ChEMBL
193202,CC(=O)C1CCC(C2CC2)C1O,1,GDB ChEMBL
280007,CN1CS(=O)(=O)NC(CC#N)C1=O,0,GDB ChEMBL
78623,CCC1C#CCCCCc2ccc(s2)C=C1,0,GDB ChEMBL
12861,CCC1C(C(C)C)CC2(C)C3CCC(C3)CC12,0,GDB ChEMBL
246403,COC1C(=O)N(CCO)C2C3C(NS2(=O)=O)C13,0,GDB ChEMBL
273991,CC(C)C1CCC2(CCC3C([NH3+])CC[NH+]3C2)C1,0,GDB ChEMBL
224004,CCCc1cc(C(C)(C)[NH+](C)C)c(C)cc1F,0,GDB ChEMBL
353201,CCc1cc(Br)cc(C2=CC3CC2C3)c1,1,GDB ChEMBL
61495,NC(=O)C1NC(=O)COC2C([NH3+])C12,0,GDB ChEMBL
85836,[NH3+]CCC1C2[NH2+]C3C2NC(=O)C13,0,GDB ChEMBL
283973,C[NH2+]C1C(=O)NC2(CCCC2[NH3+])C1C,0,GDB ChEMBL
256176,CC1([NH3+])CCN(C2CC2)C(=O)COC(=O)C1,0,GDB ChEMBL
132839,CCC1=CC(C)(C2CCCC2O)CC(C)C1,0,GDB ChEMBL
264967,Cc1ccnc(CCC(C)CC(F)(F)F)c1C,1,GDB ChEMBL
210959,CCCC1C(O)C1C1=CCCCCC1,0,GDB ChEMBL
332473,C#CCCc1ncnc(C)c1Cl,1,GDB ChEMBL
157046,COCc1cc(I)c(I)cc1C1CC=CC1,1,GDB ChEMBL
292663,CC1CC(O)C2C(CO)CCC2[NH2+]1,0,GDB ChEMBL
215730,CCC1C2CCC(O)C(C)(CC)CC[NH+]1CC2,0,GDB ChEMBL
307877,C[NH2+]Cc1ccc(CCCCCCCCO)s1,0,GDB ChEMBL
25136,CN1CC23CC(=O)NC(C[NH2+]2)CC13,0,GDB ChEMBL
324295,CC([NH3+])C12NC(=O)C(O)CC1C2CO,0,GDB ChEMBL
15566,COCc1nn2ccnc2c(=O)cc1[O-],0,GDB ChEMBL
353225,CCC(C)C1CCC=C2CC3OCCC3C21,0,GDB ChEMBL
95616,O=C1OC2C3C[NH2+]C2C1CC3O,0,GDB ChEMBL
73873,CCCC1C2CC([NH3+])C(O)C12,0,GDB ChEMBL
183496,C#CCCC(C)(C)C1C=C(C)CCCC1,0,GDB ChEMBL
378254,CC12CCC(CC1[NH3+])C(=O)O2,1,GDB ChEMBL
134007,N#CC(c1ccc(N)cc1Cl)C1CC1,1,GDB ChEMBL
66632,CCC1CCCC2[NH2+]C2CC1C,0,GDB ChEMBL
201478,CCC(O)CC(=O)C(C)=CC[NH2+]C,0,GDB ChEMBL
204852,CC#CC1(CC)NCCC(O)C1[NH3+],0,GDB ChEMBL
166445,CCC(C)CC1C(C)=CC([NH3+])C1C(C)C,0,GDB ChEMBL
140872,CC1CC2C(CCC[NH3+])C1C1OC21,0,GDB ChEMBL
65890,Cc1cc(F)c(F)cc1C1C2CC[NH2+]C21,0,GDB ChEMBL
156097,CN1C(=O)C(O)CC(C=O)C1C1CCC[NH2+]1,0,GDB ChEMBL
103542,C[NH2+]CCC(=N)N(C=O)C=O,0,GDB ChEMBL
157489,CCCC(O)CCc1scc(CC[NH3+])c1C,0,GDB ChEMBL
114785,C1CC23CC(CCC2C3)[NH2+]1,0,GDB ChEMBL
68511,CC[NH+]1CCC2C3CN3CC(CCOC)C21,0,GDB ChEMBL
259582,COCCC1CC2=C(CCCCC=C2)C1O,0,GDB ChEMBL
47574,Cc1occ(CO)c1CC(=O)[O-],0,GDB ChEMBL
58980,CCCC1C=C(CC(C)(C)O)CC([NH3+])C1,0,GDB ChEMBL
51369,COC1C(O)C2[NH2+]C(C)C1C2OS(N)(=O)=O,0,GDB ChEMBL
306387,CCC(C)(C)C1CCC2CCCCC1(C)C2C,0,GDB ChEMBL
72027,CC1C2CC[NH+]1CCN2C,0,GDB ChEMBL
71708,CCC1CC2(CC3CC3)CC2[NH2+]1,0,GDB ChEMBL
148361,COCC(O)COCC(O)CCC([NH3+])CO,0,GDB ChEMBL
291918,[NH3+]CCCC#CC#CC#CCO,0,GDB ChEMBL
378600,CNC1=[NH+]C2CCC(CC2)C1,0,GDB ChEMBL
326427,CCOc1cc(CC(=O)[O-])c(C)nc(=N)n1,0,GDB ChEMBL
6550,N#CC1CC2(COC2)CC(=[NH2+])N1,0,GDB ChEMBL
140128,CC([NH3+])(CO)C(NCC(N)=[NH2+])C(N)CC(N)=O,0,GDB ChEMBL
181741,CC1C2CCC=CC(C1C)C(C)(C)C[NH2+]2,0,GDB ChEMBL
395647,CC(C)C(CC[NH3+])CNc1nc(N)nc(=[NH2+])[nH]1,0,GDB ChEMBL
392301,CCc1nc(N2CC(C#N)C2)ccc1Br,1,GDB ChEMBL
18663,CCCC(CO)C1(O)CC(C)=C(C)C1,0,GDB ChEMBL
311630,CNC(=O)NC1CCN2C1C2(C)C[NH2+]C,0,GDB ChEMBL
149326,CCC1OCC(O)C2CCC[NH+]2C2CC[NH2+]C12,0,GDB ChEMBL
286149,N=CN(C=N)C(=O)OCC(=O)[O-],0,GDB ChEMBL
396778,CC(O)C1[NH+]=C(N)CC(O)CC(C[NH3+])C1O,0,GDB ChEMBL
234233,C[NH+](C)CC12CC(C(CO)C1(C)C)C2O,0,GDB ChEMBL
187189,CCC(C)CC1CC2(CC2)CC1C,1,GDB ChEMBL
369886,CC1[NH+]2CCCCC1(C)CC2,0,GDB ChEMBL
101878,CCC(O)C(CO)N=C(NC=O)NC=O,1,GDB ChEMBL
243348,CS(=O)(=O)[N-]C(=O)C1CC(=O)NC1=N,0,GDB ChEMBL
286311,C#CCC1C=C(CO)CC(C)[NH+](C)CC1,0,GDB ChEMBL
127180,C[NH2+]C(C)C(N)C(C[NH3+])OS(N)(=O)=O,0,GDB ChEMBL
254231,CC(O)C(C[NH3+])OC1C2CCC1C1CC2C1,0,GDB ChEMBL
111527,CC1C[NH2+]CC(O)C2C(=O)C1CC2C,0,GDB ChEMBL
98664,C[NH2+]C1CN=CNC(C#N)C1,0,GDB ChEMBL
17597,NC(=O)C1CC([NH3+])C(O)CC2CC21O,0,GDB ChEMBL
38530,COCC(CC(C)C#N)=NO,1,GDB ChEMBL
129398,C[NH2+]C1CC2C([NH3+])C2C(C)(O)C1,0,GDB ChEMBL
12772,COC1=NC(C=O)CC(C(=O)[O-])NC(=[NH2+])N1C,0,GDB ChEMBL
386570,Nc1nnc(NC(=O)CC2(O)C[NH2+]C2)s1,1,GDB ChEMBL
223980,CN1CC2CC1C[NH2+]2,0,GDB ChEMBL
380265,CCOc1[nH]c(=O)c(I)cc1OCCOC,1,GDB ChEMBL
28319,CC(C)CC1C=CC(=[NH2+])N1,0,GDB ChEMBL
283269,CCc1ccc2c(c1)C1CCC(C1)C(C)C2,1,GDB ChEMBL
331181,C#CCC(CC)[NH2+]CC(=O)CC,0,GDB ChEMBL
75031,CC(C)CC1C(C)CC2CC2(C)C[NH+]1C,0,GDB ChEMBL
330362,CC1CC2[NH+]=C(N)CC2(C)[NH2+]C1C(=O)[O-],0,GDB ChEMBL
81155,CCCC1(C2CC2)CCC2(CCCC2)CC1,1,GDB ChEMBL
53688,C=CC1(C)CCCCCC2CC2C1,1,GDB ChEMBL
50121,CN=C1OCC2(C(=O)[O-])[NH2+]C(C)C(C)C12,0,GDB ChEMBL
103431,CCC1CC2(CC)CC(O)CC1C(O)C2,0,GDB ChEMBL
263476,CCC1CCC(C)C2C(C)CCCC2(C)C1,0,GDB ChEMBL
22498,C[NH2+]C1CC(O)C2C(C1)C2OC,0,GDB ChEMBL
108669,C[NH2+]Cc1cc(C)c(CO)cc1C(C)[NH+](C)C,0,GDB ChEMBL
354773,CCCCCC#CCOC,1,GDB ChEMBL
93085,CC1CC(=O)NC=[NH+]CC(C(C)C)NC(=[NH2+])N1,0,GDB ChEMBL
179473,NC1C(=O)OC(C[NH3+])C(C(O)C[NH3+])NC1CO,0,GDB ChEMBL
173899,C=CC(C)CC=CC=CCC=CC,1,GDB ChEMBL
360870,Cc1cc(=O)c(O)cn1C(CC#N)CCC[NH3+],0,GDB ChEMBL
251909,CC(C)C1CC2(C)CCCCCC1C2C,0,GDB ChEMBL
334756,CC1(C)CC=C2C1CC1CCCCCC21C,0,GDB ChEMBL
59641,NC(=[NH2+])NC1C2CN(CCO)S(=O)(=O)C21,0,GDB ChEMBL
84225,CCCC12CCC1C[NH2+]C(C)C2,0,GDB ChEMBL
93084,CCC(=O)N(C)C(CO)Cn1cc(O)sc1=N,1,GDB ChEMBL
41614,CN(C)C(=O)C1C2CCC21O,1,GDB ChEMBL
359072,N#CC1(N)C(=O)NC(=O)NC(=O)C1O,1,GDB ChEMBL
148185,CC1CCC2=CC[NH2+]CC2C1,0,GDB ChEMBL
247340,C#CC1CC(c2ccc(Cl)c(CO)c2)[NH2+]1,0,GDB ChEMBL
105985,N#CCN=C1NC(CO)C2C[NH2+]C1C(N)C2,0,GDB ChEMBL
391724,C[NH2+]C(CC[NH3+])C1CC1O,0,GDB ChEMBL
243956,[NH3+]CC12COC1CC(=O)NCC([NH3+])C2,0,GDB ChEMBL
148924,[NH3+]C1C(O)C(C(=O)[O-])NC(=O)C2C[NH2+]CC21O,0,GDB ChEMBL
80273,CCC1(C)C[NH2+]CC(=NO)C(O)(COC)C1,0,GDB ChEMBL
61504,CC(O)C1(CNC(N)=[NH2+])CCS(=O)(=O)N1,0,GDB ChEMBL
259342,N=C(N)N1C(=O)OC2OCCC21,1,GDB ChEMBL
356526,CC1(O)C2OC(=O)NC(C(CC(N)=O)O2)C1O,0,GDB ChEMBL
94746,Cc1c(Cl)cc2cc(Cl)ccc2c1Cl,1,GDB ChEMBL
28212,Cn1c(N)nc([N-]S(C)(=O)=O)c1O,0,GDB ChEMBL
304049,CN1C2C(N)(CS1(=O)=O)C2(C)C(N)=O,0,GDB ChEMBL
351435,O=C1CC2(O)C3CC1C2C(=O)N3,0,GDB ChEMBL
275676,COC1CC(C)C(O)CC2NC21C[NH3+],0,GDB ChEMBL
346520,C#CCCC1(C)CC2C(C[NH2+]1)OC(C)C2OC,0,GDB ChEMBL
395615,CC(=[NH2+])NC(=N)C(C#N)NS(C)(=O)=O,0,GDB ChEMBL
146015,Fc1cccc2c1CC13CC21C1CCC3C1,0,GDB ChEMBL
59706,CNC(=[NH2+])N(C(=N)NC(C)=O)C(N)=[NH+]C,0,GDB ChEMBL
165919,CCCC1C=CC(C)(OC)C1[NH3+],0,GDB ChEMBL
271571,C#CCC(C)(CC#N)CC#N,1,GDB ChEMBL
157698,C#CC(C#C)c1c(C)c(Cl)cc(N)c1COC,0,GDB ChEMBL
252536,CC12C[NH2+]C(C(=O)[O-])C1C(C#N)N2,0,GDB ChEMBL
247493,CC1C2(O)CN(C)C(=O)C12[NH3+],0,GDB ChEMBL
348858,CCCOC1CC[NH+]2CC(C)C3C1C32,0,GDB ChEMBL
99675,CCC1(O)C(CCC(C)=O)C1[NH2+]CCO,0,GDB ChEMBL
236032,CC([NH3+])C1C[NH2+]C2(CCCCC2)C1,0,GDB ChEMBL
2326,CC1CC(C(C[NH3+])C2CCCC2)CCC1(C)C,0,GDB ChEMBL
368403,[NH3+]CC1C([NH3+])C2C[NH2+]CCOC2C1O,0,GDB ChEMBL
347973,N#CC1(N)C2NC(C(=O)[O-])COC1C2O,0,GDB ChEMBL
231120,C#Cc1cc(CC)c(C)s1,1,GDB ChEMBL
119401,CC1[NH2+]CC2(C)C(C)CN2C1=O,0,GDB ChEMBL
283237,CC(=[NH2+])N1C=CC(CC(C)C)C1,0,GDB ChEMBL
338135,COC1C(C)C2NC(=O)CC21O,0,GDB ChEMBL
362015,CCNC(=O)C1CC1(COC)OCC#N,0,GDB ChEMBL
140338,CC1(N)C(=O)OC(=N)C[NH+]2CCCCC21,0,GDB ChEMBL
392254,CC(C)([NH3+])C(C)(C)C(=O)NC(=O)CO,1,GDB ChEMBL
140131,O=C1CC(O)(CO)C(C(=O)[O-])N1,0,GDB ChEMBL
198636,CCC(C[NH3+])CC(C)C1CC1,0,GDB ChEMBL
85664,C[NH2+]C(C1CC1O)C(C)(C)C,0,GDB ChEMBL
124757,Cc1c(Br)c(C(=O)[O-])[nH]c(=O)c1NC(C)C,0,GDB ChEMBL
210138,COCC1(C(=O)NC(C)=N)OC1CO,0,GDB ChEMBL
312206,CCC1CC(C)CCC(C)(O)C1C#N,1,GDB ChEMBL
127514,CC1CNC(COS(N)(=O)=O)C([NH3+])C1CO,0,GDB ChEMBL
132277,CCc1c(Cl)cc(C)c(Cl)c1NC(C)=O,1,GDB ChEMBL
6529,CCC1CC2OC2C1[NH2+]C,0,GDB ChEMBL
338118,CC(O)S(=O)(=O)NC(C#N)CNC(N)=[NH2+],0,GDB ChEMBL
1071,Fc1cc(F)nc(C2CCC2)c1,1,GDB ChEMBL
318755,C=CCC1C(=O)NC2(CO)C(C)C12,0,GDB ChEMBL
190433,CC1=CC(OC(C)C)C(C)(C)C1,1,GDB ChEMBL
143201,C#CC1CCCCC=C(C)CC1C#C,0,GDB ChEMBL
292948,C[NH+]=C1NC(C#N)(C(=O)[O-])CC1C[NH2+]C,0,GDB ChEMBL
320326,Cn1cc(C2C[NH+]=C(N)N2)[nH+]c1N,0,GDB ChEMBL
7804,C#Cc1c(C)c(Cl)c(C)c2c1CCCCC2,1,GDB ChEMBL
393952,CC(C)C1(O)CC(CO)C1,1,GDB ChEMBL
188484,CCC1(CCOC)C(C[NH3+])N1C,0,GDB ChEMBL
273662,NC(=O)CC1NC(=O)N2CC2C1[NH3+],0,GDB ChEMBL
29727,C[NH2+]C(C(N)=O)C1OC(C)C1CO,0,GDB ChEMBL
112447,CC1N2CC(O)CCC12C#N,0,GDB ChEMBL
42582,CC(O)C1OCCCOCC1OC(=O)C(N)=O,0,GDB ChEMBL
177186,C#CC(C)(C)c1cc(OC)nc(CCC)c1F,0,GDB ChEMBL
5032,COC(=NC(C)C=O)NCC(O)C(O)C(=O)[O-],0,GDB ChEMBL
355779,C#CC1OC(=O)[N-]S(=O)(=O)C1CC(N)=O,0,GDB ChEMBL
283426,COCC1C(O)C1NC(N)=O,0,GDB ChEMBL
180794,[NH3+]CC1([NH2+]CC(O)CCO)CCCC1,0,GDB ChEMBL
114777,C[NH+](C)CC1NS(=O)(=O)CC1C(N)=O,0,GDB ChEMBL
380361,C=CC1CCCCC([NH2+]C)CC1=C,0,GDB ChEMBL
36012,CC1OC(C)(C)OC(=O)C(CCC[NH3+])C1(C)O,0,GDB ChEMBL
66169,CCC1CC2C(=O)OC2C(C)O1,1,GDB ChEMBL
259085,CNC(=O)C1(C)CC1C[NH3+],0,GDB ChEMBL
115593,C[NH2+]C(C)CNCC(N)=[NH+]CCC(N)=O,0,GDB ChEMBL
374872,Cc1cc(O)c2c(c1F)CCC1CC21C,1,GDB ChEMBL
119809,COC(=O)CC1(C[NH3+])OC(=N)C1C,0,GDB ChEMBL
205964,NC(CO)=[NH+]CCC([NH3+])CO,0,GDB ChEMBL
290292,CC1(C)CCC(c2cc(Cl)c(Cl)cc2Cl)C1,1,GDB ChEMBL
300454,CCc1nc(N)c2c(c1F)C(=N)OC2CCO,0,GDB ChEMBL
246815,CC1CC2=CC1CCCOCC2,0,GDB ChEMBL
362976,CCCCC(C)CC1C=CC(C)C1(C)C,0,GDB ChEMBL
225202,CC(=O)N(C)C(C)C(C)(N)C[NH3+],0,GDB ChEMBL
165636,CC(=O)NC1(CC[NH3+])CC2CN2C1(C)C#N,0,GDB ChEMBL
13756,CC1C=CC[NH+]2CCC=C(C1)CC2C(C)C,0,GDB ChEMBL
168458,NC(=O)NCCC1OC(=O)NCC1=O,0,GDB ChEMBL
111902,[NH3+]C1CC(S(=O)(=O)[O-])C(=O)OC1CO,0,GDB ChEMBL
24538,CCCC12CCCC(C)(C)C1[NH2+]C(C)C2,0,GDB ChEMBL
203738,C#CC(CC)C1C[NH2+]CC(CC#N)C1,0,GDB ChEMBL
206835,COCC1[NH2+]C2C=CNC(=O)C1(C)C2,0,GDB ChEMBL
160363,N=C1NC2C(=O)NC(C(C[NH3+])O1)C(O)C2C[NH3+],0,GDB ChEMBL
48721,CC1C[NH2+]C(CC(=O)N(C)CC=NO)CO1,1,GDB ChEMBL
45038,O=c1cc(C2CC2)cc(Br)o1,1,GDB ChEMBL
77249,CNC(=[NH2+])C(CO)COc1cccc(C)c1I,0,GDB ChEMBL
78617,COc1cc(Br)c(C)nc1N1CC2CC1C2,1,GDB ChEMBL
263549,O=C([O-])C1CC(CO)C2(CC2)OC1=O,0,GDB ChEMBL
62826,C#CCCc1cc(C(=O)[O-])ccnc1=O,0,GDB ChEMBL
6083,CCCC(=O)OCC1CN1,1,GDB ChEMBL
93425,COC(C([NH3+])CO)C1(OS(N)(=O)=O)CC1,0,GDB ChEMBL
179476,CCC(=O)c1c[nH]c(C)c1,1,GDB ChEMBL
126389,NC(=O)Nc1nnn(CCC[NH3+])n1,0,GDB ChEMBL
169055,CCOC(C)C1CCC1CC#N,1,GDB ChEMBL
97119,CC(CO)C1=CCNC(=N)NC1=O,1,GDB ChEMBL
90306,CC([NH2+]CCCS(=O)(=O)C#N)C(O)C(=O)[O-],0,GDB ChEMBL
189784,CCCC1C[NH+]=CN2CCCC(C2)C(C)C[NH2+]1,0,GDB ChEMBL
387073,N#CC1=CCOC(=N)CC1NC(=O)CO,0,GDB ChEMBL
99612,CCC12CCCC(C)CCC1C(C)C(C)CC2,0,GDB ChEMBL
97218,C#CC(C)C1C2CCC(C2)[NH+]1C,0,GDB ChEMBL
16728,CC1CC(O)C=CC2C3CCCC3CC12C,0,GDB ChEMBL
201165,CN1CC2OC2C1C(C)([NH3+])C(=O)[O-],0,GDB ChEMBL
330151,CC(C)CC1(C)NC(C#N)(CO)C1N,0,GDB ChEMBL
240787,CC1C(O)C[NH2+]CC2CC=CC1CN2,0,GDB ChEMBL
280476,CC1CCN(CC(C)(C)[NH3+])S1(=O)=O,1,GDB ChEMBL
357625,CC(C(=O)[O-])C(C)(O)C(N)=O,1,GDB ChEMBL
19620,COC1OC(=O)C2CNCC(=O)NCC2C1O,0,GDB ChEMBL
278853,CN(Cc1ccoc1)C(N)=O,1,GDB ChEMBL
273641,NC(=O)C(CC(=O)[O-])NC1C([NH3+])C(O)C1O,0,GDB ChEMBL
174059,CC1CC2C3C(=CCC13C#N)C[NH+]2C,0,GDB ChEMBL
190289,C#CC1C(N)=[NH+]CCCC1[NH2+]C,0,GDB ChEMBL
240443,CCn1cnc([NH+]=C(NC)N2CCCC2)n1,0,GDB ChEMBL
78340,COC(=O)[c-]1c(=N)oc2ncc(NC(C)=O)n21,0,GDB ChEMBL
279241,CC12CN3C(C(=O)[O-])CC(O)C(C31)S(=O)(=O)N2,0,GDB ChEMBL
151799,CCC(C)[NH2+]CCC[NH3+],0,GDB ChEMBL
260135,CCC(C)[NH+](C)CCN(C)C,1,GDB ChEMBL
24231,COC1C([NH3+])C(O)C(O)C1[NH3+],0,GDB ChEMBL
201989,CCC1NC(=[NH2+])OC1CC,0,GDB ChEMBL
124158,CCCCC1OCC(CC(=N)OC)C(C)C1C,0,GDB ChEMBL
190372,[NH3+]CC1=CC([NH2+]C(CO)C(=O)[O-])CC1,0,GDB ChEMBL
45071,CC(C)(C)CN1CCC=CC2(CC2)CC1=O,1,GDB ChEMBL
177870,CC(CC([NH3+])C1CC1)[NH+](C)C,0,GDB ChEMBL
152530,CCC1[NH+]=CNC(CO)C1O,0,GDB ChEMBL
348639,CNC(=O)CCNC(C#N)CNC(N)=O,1,GDB ChEMBL
121987,CC1C=CC[NH+]2CC3CC(C1)C2C3,0,GDB ChEMBL
173939,[NH3+]CC1CC2OCCCC1C2O,0,GDB ChEMBL
385486,C#CCC(C)(C)CCCC1CC1CC(C)C,1,GDB ChEMBL
79610,CC1CC2(O)CC(=O)N(C)CC2(C[NH3+])O1,0,GDB ChEMBL
276154,C[NH2+]CC1C(C[NH3+])C(S(=O)(=O)[O-])C(=O)N1C,0,GDB ChEMBL
340088,CC1C2CCC1(C)C1CC[NH2+]C21,0,GDB ChEMBL
121995,NC(=[NH2+])C(NC=[NH2+])C(N)CC(=O)[O-],0,GDB ChEMBL
78626,CC[NH2+]CC(C)C1(O)CC([NH2+]C(C)(C)C)C1,0,GDB ChEMBL
372544,CC(O)CNC(=[NH2+])NC(N)=[NH2+],0,GDB ChEMBL
267347,CC1COC(CC2(C)CCCC2C)C(CO)C1,0,GDB ChEMBL
101062,CN(C)CC(=N)NS(=O)(=O)CC(=O)[O-],1,GDB ChEMBL
289840,CCC1CCC2C(CC)CCCC(C)C2C1,0,GDB ChEMBL
257470,CCN(C)C1C2OC1C(C)(O)CC2[NH3+],0,GDB ChEMBL
292519,CCCc1ccnc2c(c1=O)CCO2,1,GDB ChEMBL
116408,C[NH2+]C(C(N)=O)C1C(C)CC(O)CC[NH2+]C1C,0,GDB ChEMBL
196761,CCCCC(C)(C)CCC([NH3+])C(C)(C)C,0,GDB ChEMBL
358120,C[NH+]1CCNCC(OC=N)C(C(N)=O)C1CO,0,GDB ChEMBL
174889,CCN(C)CC(NC)=[NH+]C1COC1=O,0,GDB ChEMBL
69594,CC(O)CNS(=O)(=O)C(C)C(=O)CC#N,1,GDB ChEMBL
375903,CCC(C=O)(CC)CC1CC1,1,GDB ChEMBL
246928,CNC1(C)C=C(C)CC(C)[NH2+]C1,0,GDB ChEMBL
288460,C#Cc1c(F)nc(C[NH2+]C)c2ncn(C)c12,0,GDB ChEMBL
182234,CCCc1cc(Cl)c(C)c(C(C)(C)C)c1CC,1,GDB ChEMBL
225223,CNC1COCC1(CO)[NH+]=C(N)N,0,GDB ChEMBL
135783,CC1CC(C2(C)CC2)c2c(Cl)cccc21,1,GDB ChEMBL
108718,NC(=[NH2+])NCC1(O)C(N)C2OC2C1[NH3+],0,GDB ChEMBL
322903,CCCN(C)c1cc(Cl)nc(OC)c1C,1,GDB ChEMBL
252623,C[NH+]1CC2C=CC(CCC[NH3+])C(C1)O2,0,GDB ChEMBL
17592,C[NH2+]CCc1cc(Cl)c(C)c(C(C)=O)c1,0,GDB ChEMBL
338828,CCOC1CCC2C3CC3C(=O)C12,0,GDB ChEMBL
339092,CCC(=O)CC(=O)NC12CCC(C1)C(O)C2,1,GDB ChEMBL
398869,CC(C)C1CC2(C=O)C(=O)NCC2(O)C(C)[NH2+]1,0,GDB ChEMBL
286314,CC1OCC(O)C([NH3+])C1C(N)=O,0,GDB ChEMBL
389050,CC1(C)CCC([NH3+])C2(C1)C(=O)OCCCC2O,0,GDB ChEMBL
398933,CCC(=O)C1CC2CC1C2(C)CO,0,GDB ChEMBL
227772,C#CC(=O)OC1C(N)C[NH2+]C(C)C1O,0,GDB ChEMBL
67610,CCC1C[NH2+]C2C3CCCC(O)(C3)C3C1C23,0,GDB ChEMBL
50962,CCn1c(OC)c(NCC(C)C)[nH+]cc1=NC,0,GDB ChEMBL
179327,CC(C(=O)[O-])C(=O)OCC#N,1,GDB ChEMBL
347994,CCCC1CC[NH2+]CC(C)C(C(CC)CC)C1,0,GDB ChEMBL
352660,CC(=O)NCC(COCCO)[NH+]=C(N)N,0,GDB ChEMBL
270042,NC(=O)c1ccc(C[NH+]=C(N)N)c2nscc12,0,GDB ChEMBL
228523,Cc1sncc1C1OC(=O)[N-]C1=O,0,GDB ChEMBL
65897,CCC1C=CC(C(CC(C)(C)C)C(C)C)C1,0,GDB ChEMBL
217395,C#CS(=O)(=O)NCCCCCO,1,GDB ChEMBL
117451,CC1CC(C)C2CCC3CCC(C1)[NH+]32,0,GDB ChEMBL
174662,C#CC(C)(CC)C(C)Cc1c(C)cccc1F,1,GDB ChEMBL
184680,Cc1ccc2c(c1)CCC(c1cnoc1)O2,1,GDB ChEMBL
199048,Brc1cccc2c1CC1(CCC3CC1C3)C2,1,GDB ChEMBL
44139,CC(CO)NC(=O)C(N)C(O)C(C)[NH3+],0,GDB ChEMBL
306293,CCC(CC1(C)C(O)C[NH2+]C(C)CN1C)[NH2+]C,0,GDB ChEMBL
336052,CC(C(O)C(N)=O)C(O)C(C[NH3+])C(N)=[NH2+],0,GDB ChEMBL
76701,C#CCCC(C)C1CC1C#N,1,GDB ChEMBL
292922,CC(NC(=O)C(=O)[O-])C(C)C(N)=[NH2+],0,GDB ChEMBL
63113,CCC12CC(C(C)[NH+](C)C1)C(C)(C)C(C)(O)C2,0,GDB ChEMBL
147584,CC1C2CC(C)(C[NH+]1C)C1Cc3sccc3C21,0,GDB ChEMBL
338928,NS(=O)(=O)c1n[nH]cc1C(O)CO,1,GDB ChEMBL
236749,CC1CCCCC(C)C2(C)CC12C,0,GDB ChEMBL
358886,C[NH2+]C1C(C[NH3+])NCC2CC21C(N)=O,0,GDB ChEMBL
354359,COC1CC2[NH2+]Cc3c(C[NH3+])c(Cl)cc1c32,0,GDB ChEMBL
274635,CC(O)C(CC=O)CCC1(C)CC=CC1,0,GDB ChEMBL
203145,CC1=CCCCC(C)C=CCOC1C,1,GDB ChEMBL
306383,CCCc1cc(F)c(N)c(C)c1CO,1,GDB ChEMBL
317698,CCc1c(C)c(I)cc2cc(C)n(C)c12,1,GDB ChEMBL
141795,COCC1CC2CC(CC3(CC3)C2)C1C,0,GDB ChEMBL
234853,C[NH2+]CCc1c(C(N)=[NH2+])c(OC)c(OC)n1C,0,GDB ChEMBL
353932,CC1C(=O)CCCOCC1C#N,1,GDB ChEMBL
362861,C#CC12CCC(=O)C(CCC[NH2+]C(CC)C1)C2,0,GDB ChEMBL
221699,OC1C=CC=C2C[NH2+]C(CC1)C2,0,GDB ChEMBL
22522,Cc1cn2cc(CC(N)(C[NH3+])C[NH3+])nc2s1,0,GDB ChEMBL
77305,CCCC(c1cnc(N)c(C)c1O)C(C)C#N,0,GDB ChEMBL
323173,CC(=O)OCC12CC(O)C1O2,0,GDB ChEMBL
236683,CC(C)OCC(=O)C(O)CC(C)c1cccs1,1,GDB ChEMBL
283987,N#CC1C2=CC(=O)NCCC1[NH2+]C2,0,GDB ChEMBL
81614,CC(O)C1CC2C(C(=O)[O-])C(=[NH2+])N2C1,0,GDB ChEMBL
393578,CC1C2CCC1CC(C)(CC1(C)CCCC1)C2,0,GDB ChEMBL
236006,C#CCC1CCC(C)C(C)(CC)C(C)C1,0,GDB ChEMBL
351194,Cc1cccc2c1C1(CCCC1)CC2,1,GDB ChEMBL
85043,C[NH2+]CCC([NH+]=CN)c1cnccn1,0,GDB ChEMBL
398838,CC(=O)C1C2CC(C)(C)CC21,1,GDB ChEMBL
355426,CC12OC1CCN(CCO)C(=O)C2O,0,GDB ChEMBL
148376,C#CC1(O)CC1C(C)OCC[NH3+],0,GDB ChEMBL
300547,NC(=[NH2+])C(N)C(O)C1CC(C[NH3+])C(=O)O1,0,GDB ChEMBL
325856,CCC(O)C1CC2CC1C=C2C,1,GDB ChEMBL
296302,O=C([O-])C1C(=O)OC2CN1C2,0,GDB ChEMBL
211009,NC(=[NH2+])NCC1(O)C(O)C1C(=O)[O-],0,GDB ChEMBL
200720,CCC(=O)C1C(O)C1(O)CO,0,GDB ChEMBL
2340,C#CC1CCc2c1cc1cccc(F)c1c2C,1,GDB ChEMBL
122981,CCCCC(C(=O)CC)C1CC1,1,GDB ChEMBL
127243,C#CCC1OCCC2(COC2)CC1C,0,GDB ChEMBL
11355,CC1=CC(CCCCC(C)C)=CCCC1,0,GDB ChEMBL
33247,Cc1ccc(F)c2c(C(C)C)coc12,1,GDB ChEMBL
9678,CC1CC(C2CC2)Cc2c(F)cccc21,1,GDB ChEMBL
376996,CC(CC(=O)[O-])CN(C)C(=N)c1conc1N,1,GDB ChEMBL
380230,CC1CC(C[NH3+])C2CCC1(C)C2,0,GDB ChEMBL
249603,CC1NC(=[NH2+])OCC1(O)C([NH3+])CC[NH3+],0,GDB ChEMBL
177275,CC(=O)OCC1(C(C)O)C=C(CC#N)C[NH2+]1,0,GDB ChEMBL
4777,CC(O)(C1=CCCCC1)C1C[NH2+]C1,0,GDB ChEMBL
215711,CC1C[NH2+]CC(C(C)O)C(O)(C#N)C(=O)O1,0,GDB ChEMBL
251067,Cn1nc(CCO)nc1C#N,1,GDB ChEMBL
280586,COCC(O)C(=O)NC(=N)OC1(C)C[NH2+]C1,0,GDB ChEMBL
80326,C=C1COC(=O)C(N)C1NC(N)=O,0,GDB ChEMBL
351284,CC(O)(C[NH3+])COC(=O)[N-]S(C)(=O)=O,0,GDB ChEMBL
194435,NC(=[NH2+])C(N)C#Cc1ccsc1S(N)(=O)=O,0,GDB ChEMBL
242660,CNc1c(F)ncc(CC#N)c1C[NH2+]C,0,GDB ChEMBL
368468,CC(C)C1[NH2+]C(C)(C)CCC1O,0,GDB ChEMBL
359118,C#CCCCC1CC(OCC[NH2+]C)C1,0,GDB ChEMBL
57314,CC([NH3+])COC1CN(C=O)C1C(N)=O,0,GDB ChEMBL
33510,COC1C(=O)NC(C[NH3+])C1(C)[NH3+],0,GDB ChEMBL
134763,C[NH2+]CC1CC2OS(=O)(=O)[N-]C(=O)C1C2O,0,GDB ChEMBL
71977,CCC1C2CCC1C1(C)CCCC1C2,0,GDB ChEMBL
61873,CCC=CCCCC(C)(C)C(C)C,1,GDB ChEMBL
51071,COC(=O)CCC(CCO)(OC)C(N)=[NH2+],0,GDB ChEMBL
201670,N#CC1CCCCc2nc(=O)c(cs2)CN1,0,GDB ChEMBL
287031,Cc1cc[nH]c(=[NH2+])[nH]cnc1CC(=O)[O-],0,GDB ChEMBL
233417,CCC1N(C)CC12CNCC(=O)O2,0,GDB ChEMBL
47753,NC(=O)OCCn1ncnc1N,1,GDB ChEMBL
34157,CC(O)C1C(CNC(N)=[NH2+])OCC1(C)[NH3+],0,GDB ChEMBL
27812,[NH3+]CC1CN=C2OCC(C(=O)[O-])CC21,0,GDB ChEMBL
277786,Cc1cnc(C(=N)NC(C)(C)C)nc1C(=O)[O-],0,GDB ChEMBL
342601,CCOCCOCC(O)C(N)=O,1,GDB ChEMBL
191327,CC1C2C3CCC=C(C[NH+]1C)C32,0,GDB ChEMBL
177072,C=CC(=C)C[NH2+]C(CCC)C1CC1,0,GDB ChEMBL
304826,O=CC1CC2CCC(=O)N2CCC#CCO1,0,GDB ChEMBL
201170,CCCC1(CCO)C=CNC(=N)NC1=O,0,GDB ChEMBL
200976,CCC[NH+]1CC23CCC1C2C3C,0,GDB ChEMBL
136569,CC1CCC(N)C2CC(C)(O)C[NH+]2C1C,0,GDB ChEMBL
240803,C[NH2+]C1C(N)C1C(=O)NC(=N)N,0,GDB ChEMBL
84237,CCCCC1COC(C)C1CCC(C)[NH2+]CC,0,GDB ChEMBL
116055,CC1C[NH2+]CC2CN2C1=O,0,GDB ChEMBL
262302,CCC(C(=O)[O-])N(C)CC#N,1,GDB ChEMBL
147853,CC(C)[NH2+]C1C=CCC([NH3+])C1,0,GDB ChEMBL
285720,CCC([NH3+])C(C(N)=O)C1C(CO)C1(O)C[NH3+],0,GDB ChEMBL
274965,N#CCCN(CC#N)CCO,1,GDB ChEMBL
289819,CC1=CC2CCC(=O)C(CC2)C(C)(CO)C1,0,GDB ChEMBL
230213,Clc1ccc(C2=CC3CCC=C3C2)cc1,1,GDB ChEMBL
241122,CCCC1CC(C)C(C)OC(C)C1CCC,0,GDB ChEMBL
26450,CC1COC2CC1CCC2O,1,GDB ChEMBL
60641,C#CC1C=CC(C)(C)CCC1CCCC,1,GDB ChEMBL
217345,N=C1N(C=O)CCCC1(CO)C(N)=O,1,GDB ChEMBL
160046,N#CC(O)CNCc1cnc[nH]1,1,GDB ChEMBL
184885,C[NH2+]CCC1(C)CCC2(CC=CC(C)C2)C1,0,GDB ChEMBL
130437,CCCC1OCC(C(C)(C)[NH3+])S(=O)(=O)[N-]C1=O,0,GDB ChEMBL
236571,CCCC(=O)N(CC=O)C1CC1(C)C,1,GDB ChEMBL
134454,CCCC1CCC(c2ccc(I)cc2C)C1C,1,GDB ChEMBL
47242,CNC(C#N)C1C(C#N)C([NH3+])C(C)CN1C=O,0,GDB ChEMBL
383932,COCCC(C)(C)C#CC[NH3+],0,GDB ChEMBL
122016,CCC(C(O)CO)C1C[NH2+]C2CC21,0,GDB ChEMBL
37169,COCC1(CCC(=O)N(C)C)CC1([NH3+])CO,0,GDB ChEMBL
8710,CCCCC1CC2C=CC(CC)(C2)C1,1,GDB ChEMBL
277620,C#Cc1cc(C=O)n(C)c1,1,GDB ChEMBL
102333,N#CC12CC1C(C(O)C(=O)[O-])NC(=O)N2,0,GDB ChEMBL
144530,CC#CC1C=CCC1c1ccc(F)cc1,0,GDB ChEMBL
291470,CCOc1cc(COC)cc(Br)c1Br,1,GDB ChEMBL
59169,CC1C=CCCCC(C)C1,1,GDB ChEMBL
197034,N=C1OC(=O)CCCC1[NH3+],1,GDB ChEMBL
209658,O=CCCC1=CC(CO)=CC(=O)NCC1,0,GDB ChEMBL
252114,C[NH2+]C(C)C(C[NH3+])C(O)C(C)O,0,GDB ChEMBL
131633,CNC(=O)C1C2OCC(C(C)[NH2+]C)C21,0,GDB ChEMBL
66647,CC[NH+]1C2CC3C=CC(C2O)C1C3,0,GDB ChEMBL
344272,CCC1C=CC2(C[NH3+])CC[NH+](C)C2C1,0,GDB ChEMBL
387318,NC(=O)C1=C[NH+](CCC2CC2)C2COCC12,0,GDB ChEMBL
31363,CC1(C)C2CC(C3CCCC3)C1C2,1,GDB ChEMBL
41132,CC(O)C1(CCO)CCCCCS(=O)(=O)C1,0,GDB ChEMBL
26035,C[NH2+]CC1COC(=O)COC1CO,0,GDB ChEMBL
5901,N=C1NC(=O)NC2C(=O)NC(=O)CC2O1,0,GDB ChEMBL
116383,CCN1CC(=O)N2C1=NC1CC1C2COC,0,GDB ChEMBL
222127,CCCC(CC)C1C2CCC1C1OC21,0,GDB ChEMBL
289234,[NH3+]C1CC2CN2C(=O)C2CCC([NH2+]C2)C1O,0,GDB ChEMBL
307587,CCC(CC)c1c(COC)cccc(C)c1=O,0,GDB ChEMBL
226242,CCN1C(=O)C2(O)CC1C2,1,GDB ChEMBL
320774,CCC(=O)OC(CO)Cn1ncnn1,1,GDB ChEMBL
21895,CCCNC(=[NH2+])N1CCS(=O)(=O)C1CC,0,GDB ChEMBL
144571,CCC1CC2([NH3+])CCCCC(C2)C2CCC1C2,0,GDB ChEMBL
255993,CC1CCC#CC2(CCCCO1)CC2,0,GDB ChEMBL
72004,CC[NH+](C)Cc1ccsc1C(=O)[O-],1,GDB ChEMBL
299602,OCCC1C2C3COC(C[NH2+]3)C12,0,GDB ChEMBL
116013,CCCC([NH3+])C1CC=CC(C)=CC[NH2+]1,0,GDB ChEMBL
23605,CN(C)C1CC(=O)S(=O)(=O)[N-]C1CC(N)=O,0,GDB ChEMBL
398921,C#CCC(C)C1OCC(C)C1CC,0,GDB ChEMBL
301431,CC12CC1CC1COC(=O)C2N1,0,GDB ChEMBL
263979,C#CCc1cc(C)c(C#C)c(OC)c1Cl,1,GDB ChEMBL
296581,CCC([NH3+])C(=O)NC1C(N)C([NH3+])C1O,0,GDB ChEMBL
352578,CC1CC(C(C[NH3+])CO)C1,0,GDB ChEMBL
240514,CC12CCCC1C=CCC2C1CC1,0,GDB ChEMBL
155820,CC([NH3+])CC1CC(C)C(C(C)C)C1,0,GDB ChEMBL
334153,CCC1CCC2(C(C)C)CC[NH2+]C(COC2)C1,0,GDB ChEMBL
182301,O=C1CCC2=CCC=CC(CC2)CN1,0,GDB ChEMBL
179437,COCC12CC(CNC(=O)O1)C2O,0,GDB ChEMBL
141699,CCN1C(=O)CCCC1(CC(C)[NH3+])C(O)CO,0,GDB ChEMBL
354848,COCC([NH3+])(CO)C1(O)C(O)COC1C(=O)[O-],0,GDB ChEMBL
18918,O=C1OCC=C1C1CC1CCO,0,GDB ChEMBL
377012,CC1C2=CCC1NC(=O)NCC2CO,0,GDB ChEMBL
2355,CCCCC1(C)C(=O)C(C)C[NH2+]C1C(C)CC,0,GDB ChEMBL
392769,CCC1CCC(C(C)C(C)C)C=C(C)C1,0,GDB ChEMBL
341153,CC(C[NH+]=CN(C)C)OCC#N,0,GDB ChEMBL
11244,CC(C(N)=O)C([NH3+])C(O)(CO)Cc1cscn1,0,GDB ChEMBL
270085,CC1CC2(C=CCC2)C(CCC(N)=O)O1,0,GDB ChEMBL
16785,CC(C)(CCCC(=O)[O-])C(=[NH2+])NCC=NO,0,GDB ChEMBL
208574,[NH3+]CCc1ccn(CC2C[NH2+]2)c1,0,GDB ChEMBL
210382,Nc1nsnc1NCC([NH3+])C(=O)[O-],1,GDB ChEMBL
174153,CN1C=[NH+]CCCC(C)(C)CCCC1,0,GDB ChEMBL
143154,CN=C(C)N(C=O)C(=N)c1ccc(N)cc1,1,GDB ChEMBL
53718,C#CC[NH2+]C1CCC(=C)CC1OC,0,GDB ChEMBL
116374,COC(=[NH2+])NC1C(O)CC(C(=O)[O-])C([NH3+])C1O,0,GDB ChEMBL
345778,CC(CC[NH3+])CCOC(N)=O,1,GDB ChEMBL
148918,O=CC(=CC(=O)OCCO)CCO,1,GDB ChEMBL
125539,C#CC1=CC([NH+](CC)CCC)C(=O)C1,0,GDB ChEMBL
186592,Cc1ccc2c(c1C)CC1(C)CC2C(C)C1[NH3+],0,GDB ChEMBL
181019,CC(O)C(C(N)=[NH2+])C(O)CC(O)C(O)C(=O)[O-],0,GDB ChEMBL
279136,COC1C2CCOC1C(O)C2O,1,GDB ChEMBL
128293,C=CCNc1ccc(NC)c(Cl)n1,1,GDB ChEMBL
27783,C[NH2+]C(C)(C)CC1CCN(C)CC(=O)N1,0,GDB ChEMBL
315280,CC1CCN2C1C2(C)CO,0,GDB ChEMBL
386474,COC(=O)C(=O)C(=N[O-])C(=O)NC(C)C=O,0,GDB ChEMBL
142000,CC1(OC(C[NH3+])CNC(N)=[NH2+])CC([NH3+])C1O,0,GDB ChEMBL
314943,CCC1C(=O)CC(O)C=C1CCO,0,GDB ChEMBL
51838,N#CC12C[NH2+]CC1N(C(=N)N)C2=O,0,GDB ChEMBL
277401,O=C1NCc2c(I)cc(=O)[nH]c21,1,GDB ChEMBL
49128,CC(CC#Cc1cnccc1F)=NO,1,GDB ChEMBL
393951,C#CCC1CCC(O)C=CC=C1C,0,GDB ChEMBL
181105,COC12C=Cc3ncc(Cl)cc3CC1C2,0,GDB ChEMBL
294482,Cc1c(C#N)cncscnc1CO,0,GDB ChEMBL
333648,NC(=O)C1[N-]S(=O)(=O)C2C[NH2+]C2C1O,0,GDB ChEMBL
121772,CC1=CC(C)(C)C(OC2CNC(=O)CO2)C1,1,GDB ChEMBL
372117,COCC(Nc1[nH]ncc1O)C(=O)[O-],0,GDB ChEMBL
267348,CC(N=COc1nn(C)cc1N)C(=O)[O-],0,GDB ChEMBL
341886,CC1(C)CC2C=CC(=O)C1CCCCC2,0,GDB ChEMBL
98845,CN=C1NC(=O)C(C2CC2)[NH+]=C(N)N1,0,GDB ChEMBL
204674,CN1C(CC[NH3+])C[NH2+]CC1(C)CC#N,0,GDB ChEMBL
26816,CC[NH2+]C1CCCC2NC(C#N)CC21,0,GDB ChEMBL
86750,CC12c3c(Cl)cccc3CC13CC[NH2+]CC32,0,GDB ChEMBL
331178,[NH3+]CC1C(=O)OCC([NH3+])C1CNC=O,0,GDB ChEMBL
256185,[NH3+]C1(CO)CS(=O)(=O)N2C1C21CNC(=O)C1,0,GDB ChEMBL
193207,C#CCCC1(CC(C#C)C(C)CC)CCCC1,0,GDB ChEMBL
382149,C#Cc1cc(Br)cc(Br)c1CC(C)CCC#N,1,GDB ChEMBL
345715,[NH3+]C1C2C=CN(C(=O)CO)CC12,0,GDB ChEMBL
376968,Cc1cc(=N)c(Cl)cn1C1CCOC1,0,GDB ChEMBL
321399,CC1C(=O)NC2CC2CC1[NH3+],0,GDB ChEMBL
116091,CC1CC(O)CS(=O)(=O)CN1,0,GDB ChEMBL
140839,[NH3+]C1C(O)COC2OC(=O)CC21,0,GDB ChEMBL
378576,CCCC1[NH2+]C2CC2CC(C)C=CCC1C,0,GDB ChEMBL
225367,COCC(O)C(C=O)OC1CC1,1,GDB ChEMBL
2141,COC1OC2C(=O)NCC1(N)C(O)(CO)C2O,0,GDB ChEMBL
384861,Cc1ccnc(C(O)C(C)(C)C)ccsc1C,0,GDB ChEMBL
117445,COCC(C)C1C([NH3+])C1C#N,0,GDB ChEMBL
77487,CC1C2=NC(C(O)C(=O)[O-])C(=O)N2C(C)C1O,0,GDB ChEMBL
269384,CC(=O)NC(N)=NC1C=CCC1,1,GDB ChEMBL
215832,Oc1cc(O)c2c(c1)C(Nc1ccsc1)CN2,1,GDB ChEMBL
13864,C#CC(C(C)=NO)C(CC#N)N(C=O)CC,0,GDB ChEMBL
131663,Cc1oc2c(C(C)C)cc3c(c2c1C)CCC3,1,GDB ChEMBL
44685,CCC1C(C(=O)OC)C(C)C2CC(C)C1(O)C2,0,GDB ChEMBL
388253,CS(=O)(=O)NCCNC1C([NH3+])C1O,0,GDB ChEMBL
210453,N#CCC[NH2+]CCCS(=O)(=O)NCCC=O,1,GDB ChEMBL
395931,CCc1cn(CC2CCC2)nn1,1,GDB ChEMBL
361673,CCCNCC1[NH2+]CCC1c1cc(O)n(C)c1,0,GDB ChEMBL
160844,CC#Cc1c(C(C)C)noc1C1CC1C[NH3+],0,GDB ChEMBL
204140,N#CCCOC(C=O)CCO,1,GDB ChEMBL
240385,CC1(C)C2OCC(C)(C2O)C1C[NH3+],0,GDB ChEMBL
259695,C[NH2+]Cc1cc2c(cc1F)NC(CO)COC2,0,GDB ChEMBL
222115,CC1=Cc2cnc(C)cc2C=CC=C1,1,GDB ChEMBL
311655,C#CC1CC(C)C(CC[NH3+])OC(C)(C)CC1C,0,GDB ChEMBL
308154,C#CC(C)C(CC)[NH+](CCC)CC(CC)CC,0,GDB ChEMBL
395937,C#CCCC(C)(C)C(C)(CC[NH3+])COC,0,GDB ChEMBL
80206,NC1CC2C(O)C[NH2+]C12C(=O)[O-],0,GDB ChEMBL
251471,CNC(=O)C1(C)C2CC(O)C2CC1(C)[NH3+],0,GDB ChEMBL
307879,C#CCC1COC(C)C2CCC(CC)CCC12,0,GDB ChEMBL
278847,CCOCCCC1(C)C2CCC1C2,0,GDB ChEMBL
257960,C#CCCC1CCC(C(C)(C)CCC)C1CC,0,GDB ChEMBL
104951,C#CC(C)CC1C(C(C)CCCC)C1(C)C,0,GDB ChEMBL
25205,CCC(C=O)C1(C(C)C)OC(C)CCNC1=O,0,GDB ChEMBL
341298,C#CC1C(CO)N1C(C)C(N)=O,0,GDB ChEMBL
142522,O=CC1C=CCC(O)C(=O)NCC1,1,GDB ChEMBL
346508,CCCC(=O)C(O)C1[NH2+]CC2CN=C(C)OC21,0,GDB ChEMBL
41311,CC(C)C([NH3+])c1cnoc1,0,GDB ChEMBL
325763,CC#CC(C)C1[NH2+]CCCC1C,0,GDB ChEMBL
123022,N#CCC(=O)CCN(C=O)C(N)=O,1,GDB ChEMBL
129538,COC1C2[NH2+]C(C(=O)[O-])C1(C)C2N,0,GDB ChEMBL
50899,NC(=O)c1n[nH]cc1S(=O)(=O)[O-],0,GDB ChEMBL
76448,CCS(=O)(=O)NC1C2C([NH3+])C(O)CC12C[NH3+],0,GDB ChEMBL
240499,C[NH+]1CC=CC=C2CC(=O)OC2CC1,0,GDB ChEMBL
366625,COCC1CC(C#N)CCC1OC=O,1,GDB ChEMBL
278106,COCC12CC(=N)NC(=O)C(C1)C2,1,GDB ChEMBL
255088,C#CCC(=C)C[NH+](CC=C)C1CC1,0,GDB ChEMBL
306264,CC[NH2+]CC#Cc1c(F)ccc(CC)c1F,0,GDB ChEMBL
316330,CCC(CC1C[NH2+]CC1C)C(C)C,0,GDB ChEMBL
395153,NCC(CC(N)=[NH+]CCO)NC(N)=[NH2+],0,GDB ChEMBL
197235,CCN(C(=[NH2+])C(C)(C)C)c1c(O)cccc1Cl,0,GDB ChEMBL
88168,CC[NH2+]C(CC)CCC(C)(C)OCCCC=O,0,GDB ChEMBL
50219,CC1OC(=O)NC(C(=O)OCCC[NH3+])C1C#N,0,GDB ChEMBL
62783,CCn1cnc2ncc(=O)nc(N)c21,0,GDB ChEMBL
71288,CC1OC1CC(=O)N1CC(O)C1,1,GDB ChEMBL
349963,[NH3+]CC#CC(O)C1CCCC[NH2+]1,0,GDB ChEMBL
349969,Cc1scc(C(C)Cc2ccc(I)cc2)c1O,1,GDB ChEMBL
153356,C#CCC([NH2+]C)C1CC(C(C)CCC)CC1C,0,GDB ChEMBL
337150,C#CCN(C(N)=[NH2+])C1C[NH+]=C(N)C(C)(O)C1,0,GDB ChEMBL
379162,CCC12CC1C1C=CCCC(C)C(=O)N1C2,1,GDB ChEMBL
353968,CC(C)C(CCO)C(C1CO1)C(F)(F)F,0,GDB ChEMBL
62588,C#CCC1CC2(OCCCC)COCCC1C2,0,GDB ChEMBL
227765,C#CC1C([NH2+]C)C(O)C2C[NH2+]CCN12,0,GDB ChEMBL
227584,CC1[NH2+]CC(C)(C)C(C)(O)CCC(C#N)C1N,0,GDB ChEMBL
11420,CCCc1cc(C(C)CC=O)c(F)cc1C,1,GDB ChEMBL
174229,CC(C)C(=O)C1CC2(C)OC1CNC2=O,0,GDB ChEMBL
21566,C=CC(=O)C(=CC1CC1)C[NH+](C)C,0,GDB ChEMBL
190848,CCOC(=N)CCc1cc(CCOC)cn1C,0,GDB ChEMBL
174813,COc1cc2nc(=O)ccn2c(F)c1C=O,0,GDB ChEMBL
30378,CC1CC2CC1C(C#N)N1CC2CCC1C,0,GDB ChEMBL
322882,CC1=C(C)CC(OC(C)C[NH3+])C1,1,GDB ChEMBL
210144,C[NH2+]C(CO)CNC(C)C(=N)OC,1,GDB ChEMBL
54090,C[NH2+]CC1(C#N)CC2CCCCCC1(CO)C2,0,GDB ChEMBL
73303,C#CC1=CC(C)=CC2C(C)CCCC2(C)C1,0,GDB ChEMBL
286992,COC(C#N)C(=O)CS(N)(=O)=O,1,GDB ChEMBL
341897,CNC(=O)C1OC(=N)C2CN2C1C,0,GDB ChEMBL
255369,OC1C2CCNCC1[NH2+]C2,0,GDB ChEMBL
318380,CC(C)CC1CC2(C)C[NH2+]C(C)(C1)C2C,0,GDB ChEMBL
375129,CC(C)C1CCCCC1(C)C1C=CC2CC21,0,GDB ChEMBL
70968,CCc1ccc2c(c1F)C=CCC=C2,1,GDB ChEMBL
332690,CC(O)C([NH3+])CCC([NH3+])C(CO)C(O)C(=O)[O-],0,GDB ChEMBL
312833,COC1C2NC(=O)CC(O)C2OC1(C)C#N,0,GDB ChEMBL
66621,CC1C=CCC=CCCCCC[NH2+]1,0,GDB ChEMBL
234492,CN1CCC(C=O)C(=O)C1,1,GDB ChEMBL
310168,CC(O)COc1ncn(C)c1N1CC=CC1,1,GDB ChEMBL
38896,C#CCC(C)(c1cccc(Br)c1)C1CC1,1,GDB ChEMBL
6096,CC(CC(O)C(C)C)=NO,1,GDB ChEMBL
152549,CCC1(N2CC2COC)COC1,0,GDB ChEMBL
345380,COCCCC#CC1CN(C(C)=O)C(N)=N1,0,GDB ChEMBL
186690,CC(O)C[NH2+]CCC1CC1C,0,GDB ChEMBL
319362,COCC1(C(N)=[NH2+])CC1[NH3+],0,GDB ChEMBL
281003,CN1C(=O)C2(C[NH3+])C3CNC(=O)C1C32,0,GDB ChEMBL
300184,C[NH2+]C1(C)C(O)CC(C)N(C=O)C1CO,0,GDB ChEMBL
34413,CCC1C(CC)N1C(C)COC,1,GDB ChEMBL
277784,CC1[NH2+]CC1(N)CO,0,GDB ChEMBL
323997,C#CC1C(=O)NC2CC2C1O,1,GDB ChEMBL
258350,N=C1OC(=O)NC(C(N)=O)CC([NH3+])C1O,0,GDB ChEMBL
175906,CC12CC(CC(O)CCO1)C(O)C2O,0,GDB ChEMBL
23536,CC[NH2+]CCCC1COC2OC1C1(O)CC21,0,GDB ChEMBL
161950,O=C(CO)N1CC(CO)CS1(=O)=O,0,GDB ChEMBL
362703,Cc1cc(CC2CCc3ccc(I)cc32)c[nH]1,1,GDB ChEMBL
47666,COC1C(C=O)NC1C(N)=O,0,GDB ChEMBL
361660,N#CC1(C(=O)[O-])NCC(O)C(O)C1C[NH3+],0,GDB ChEMBL
304620,Cc1ccc2oc(=O)nnc2c1[N+](=O)[O-],0,GDB ChEMBL
305083,CC(C)C1C(=O)N2C(CCO)CC([NH3+])C12,0,GDB ChEMBL
132493,CC1CC(O)CC([NH3+])C2C1C21CC[NH2+]C1,0,GDB ChEMBL
318045,CCCCNc1c(OCC)oc(C[NH2+]C)c1N,0,GDB ChEMBL
190485,CNC(=N)N(C=O)C(=O)C(C)N,1,GDB ChEMBL
236664,CN(C(N)=[NH2+])C(=[NH2+])Nc1cn[nH]c(=O)c1,0,GDB ChEMBL
383934,C[NH2+]C(C)C1C2c3ccnn3CC21O,0,GDB ChEMBL
322962,COCC1NC(=O)C2(N)C(CO)[NH2+]CCC12,0,GDB ChEMBL
290154,CCC(=O)N1C2C(=O)NC(CO)C(=NO)C21,0,GDB ChEMBL
238144,CCC1CC2([NH2+]CCCC1C)C1C[NH2+]CC12,0,GDB ChEMBL
280665,C=CC1OC2C3C2C1(C)CC[NH+]3C,0,GDB ChEMBL
237972,COC(=O)NC1(C#N)COC(=N)C1N,0,GDB ChEMBL
248848,CC1CC(CO)(CC#N)C(=O)N1,0,GDB ChEMBL
251872,C[NH2+]C1C(C)C1OC(=O)C1CC1CO,0,GDB ChEMBL
209432,CCCC(C)C1C2CCC[NH+]1CCC(C)(C)C2,0,GDB ChEMBL
223288,CCC1C2[NH2+]CCC2CCCC2OC21,0,GDB ChEMBL
395613,[NH3+]CC1C(O)CC2NS(=O)(=O)C1C2C(=O)[O-],0,GDB ChEMBL
332661,CCC1CC(C)CC(CCCC(C)(C)C)C1C,0,GDB ChEMBL
334068,COc1cc(C#N)nc2nccc(Br)c12,1,GDB ChEMBL
62540,COC1(C)CC[NH2+]CC[NH2+]C1,0,GDB ChEMBL
101498,N#CC1CC2C(O)C(C=O)C(CN2CCO)O1,0,GDB ChEMBL
99800,Cc1sc(C)c2c1CCNC(=O)CCN2,1,GDB ChEMBL
214419,C[NH2+]C12CCNC(=O)C(C(=O)[O-])C1(C[NH3+])C2,0,GDB ChEMBL
377970,CC1C2CC([NH3+])CC(C(N)=O)N12,0,GDB ChEMBL
372513,Cc1ccc(Cl)c(Cl)c1CO,1,GDB ChEMBL
318102,COC1(CO)C[NH2+]C2CCC3CC(O)C1C32,0,GDB ChEMBL
198660,NC(=O)NC(=O)C(N)C1(O)C(O)C1C[NH3+],0,GDB ChEMBL
113589,CC(=Cc1ccccc1)C(C)(C)C,1,GDB ChEMBL
263516,CC1CNS(=O)(=O)C2C(C(=O)[O-])N2C1C#N,0,GDB ChEMBL
142927,CC(C)(O)C(O)C(=N[O-])c1ccccn1,0,GDB ChEMBL
104496,CN(C)Cc1cc2c(cc1F)OCC(=O)N2C,1,GDB ChEMBL
132887,CC1OC(=O)C2NCC(O1)C2O,1,GDB ChEMBL
382128,CC12CCS(=O)(=O)C1N2C(C#N)C(N)=O,0,GDB ChEMBL
115263,C[NH2+]C(C)c1ccc(F)cc1C,1,GDB ChEMBL
168440,NC(=O)COC(CCO)C(N)=O,1,GDB ChEMBL
382966,CC(C)OC(=O)C(=O)CC#N,1,GDB ChEMBL
84574,O=c1cc(CO)c(O)cn1C1CCC1,1,GDB ChEMBL
124177,CC(C)C1CC2CC(C)([NH3+])CC2(O)C1,0,GDB ChEMBL
283988,CC[NH2+]C12CC(O)C(=O)NC1C2(C)O,0,GDB ChEMBL
80511,CC[NH2+]C1C(OS(N)(=O)=O)C1(O)CO,0,GDB ChEMBL
39981,Cc1ccc(C2C(C)C2C)nc1,0,GDB ChEMBL
192541,CCc1cc(F)c2c(c1)CCC21CCC1,1,GDB ChEMBL
313315,CC1OC(=O)N2C1C2(C#N)CN,0,GDB ChEMBL
300210,CC12N=C(N)NC(=O)C([NH3+])C1C2O,0,GDB ChEMBL
296079,CCC1C2CC(O)CNC(=O)C12,1,GDB ChEMBL
193335,CC[NH2+]C1C(CC)OCC1(C)C,0,GDB ChEMBL
308670,CC12CC(OC(C[NH3+])C1C([NH3+])CN)C(=O)N2,0,GDB ChEMBL
198843,NC(=O)OC1C(=O)NC2C(C([NH3+])CO)C12,0,GDB ChEMBL
70086,Cn1cncc1C(O)C(C[NH3+])OC=O,0,GDB ChEMBL
363809,C#CC1(OCc2c(Cl)cccc2Cl)CC1,1,GDB ChEMBL
230376,C#CCCC1[NH2+]CC1OC,0,GDB ChEMBL
104941,C#CC1CCC(C)C1c1ccccc1F,0,GDB ChEMBL
387255,C=CC(=O)C(O)C1NC(=O)C2CC21,0,GDB ChEMBL
275577,[NH2+]=C1NC2C(C(=O)[O-])NC(=O)C12,0,GDB ChEMBL
319787,COCCN(C)C1(C(C)[NH3+])C(O)C1(C)[NH3+],0,GDB ChEMBL
42587,CCC1C(C)=CCCC(C(C)C)C1C,0,GDB ChEMBL
147893,CC(C[NH3+])C(C)C(CC1CC1)n1cccc1,0,GDB ChEMBL
321972,C[NH2+]C(C)C1CC(C)(C)C(C(C)CC(C)C)O1,0,GDB ChEMBL
173874,CCC1(C)C2CCCOC1(CCC#N)OC2=O,0,GDB ChEMBL
4914,CN=C(NC(C)=[NH2+])NS(C)(=O)=O,0,GDB ChEMBL
37641,CC1CC2CC(O)C(N)C2[NH2+]1,0,GDB ChEMBL
121506,C[NH+]=C(N)NC1(C)CC(OC)C1,0,GDB ChEMBL
363526,C[NH+](C)CC12CC(CC(C)(C)C1)OC2=O,0,GDB ChEMBL
255117,CCCC(CO)C1C2(C)C=CC1(C)C=C2,0,GDB ChEMBL
181527,CS(=O)(=O)C1CC(CO)C1NC(N)=O,0,GDB ChEMBL
349939,CC1OC(C([NH3+])C(N)=O)C2(O)CC12,0,GDB ChEMBL
184899,NC(C(O)C[NH3+])C1CC(=O)[N-]S1(=O)=O,0,GDB ChEMBL
390080,CC[NH2+]C1(C)CCC1,0,GDB ChEMBL
47713,Cc1c(N)c(Cl)cc2ccn(C)c(=O)c12,1,GDB ChEMBL
13896,C=CCC(O)(CC)C(C)CCCC,1,GDB ChEMBL
87486,CCN1C(C)C(O)CC1C1(C#N)NC1CO,0,GDB ChEMBL
317151,CCCc1cc(I)c(I)cc1C1CCC1,1,GDB ChEMBL
261345,[NH3+]C1CC2OCC(CC1O)CC2(O)CO,0,GDB ChEMBL
170147,CCC1OC(C)C(C)C(C)CC1(C)C,0,GDB ChEMBL
295893,CCOC(C)CN1C2CC([NH3+])CCC21C,0,GDB ChEMBL
44615,[NH3+]CCNC(=O)Nc1cc(=O)c([O-])no1,0,GDB ChEMBL
113546,CN(C)C(=O)C1(C)CC2CC(C2)OC1C#N,0,GDB ChEMBL
124212,CC(NC(N)=O)C(=O)C1CN1,0,GDB ChEMBL
178043,CCC(N)(C(=N)NC(=[NH2+])CN(C)C)C(=O)OC,0,GDB ChEMBL
25113,CCCCC1(C)C(O)C1CCC,1,GDB ChEMBL
350296,C[NH2+]CC(C)(CCO)c1ccc(C)cc1I,0,GDB ChEMBL
279246,NC1C2CC(=O)NC1C(CO)[NH2+]2,0,GDB ChEMBL
130576,CC1[NH2+]CCC2(CO)C(O)CC12,0,GDB ChEMBL
182876,N#Cc1noc(=NCCC(=O)[O-])nc1N,0,GDB ChEMBL
246779,CCOC1(C2(C(C)C)CC2)CC[NH2+]C1,0,GDB ChEMBL
349962,NC(=O)Cc1[nH]nc2c1CCC2,1,GDB ChEMBL
112358,CNC(=O)Cc1oc(N)nc1CO,1,GDB ChEMBL
129816,CCC(C)CCCC1C2C=CC1C(C)C2C,0,GDB ChEMBL
263297,CCC1C2CC3CC2C1C(=O)N3,1,GDB ChEMBL
133145,CCC1OC2CC[NH2+]C2C2CC12,0,GDB ChEMBL
283227,CC1NC(=[NH2+])CC2C(c3ccoc3)CCC12,0,GDB ChEMBL
271002,CCC(C)OC1C(C)C=CC1[NH+](C)C1CC1,0,GDB ChEMBL
281185,COCC1(CC[NH3+])CCCC[NH2+]1,0,GDB ChEMBL
186635,COc1[nH]cc(C(C)(C)[NH3+])c1OCC(=O)[O-],0,GDB ChEMBL
243952,O=C1CC[NH2+]CC(C(O)C(O)C(=O)[O-])C1,0,GDB ChEMBL
25996,COCC(O)C(C)C(=N[O-])C(N)=O,0,GDB ChEMBL
267938,C#CC([NH3+])C(N)c1c2c(nn1C)CCCCN2,0,GDB ChEMBL
291935,CC1(CO)OC(=N)NC1C=O,0,GDB ChEMBL
378284,CC(C(=O)[O-])C(OS(N)(=O)=O)C1OC1C#N,1,GDB ChEMBL
354793,CCC1CC2CC1(C[NH3+])C(C(N)=O)C2[NH3+],0,GDB ChEMBL
368805,CN(C)c1ccc(N)cc1,1,GDB ChEMBL
109205,C[NH2+]C1CC(CC(C)O)C1C(N)=O,0,GDB ChEMBL
143460,CN1C2C3NC(=O)C21CC3C[NH3+],0,GDB ChEMBL
398937,CCC1OC1CCCCC1CC1,1,GDB ChEMBL
175549,C[NH2+]CC12C(C)CCCC([NH3+])C1CC2C#N,0,GDB ChEMBL
397950,CC1OCC(CO)C(O)C1[NH3+],0,GDB ChEMBL
134474,C#CC1(CC)CCCCN(CC(F)(F)F)C1=O,1,GDB ChEMBL
251052,CC1CC(C)C2CCCCC2(C)C(C)C1,0,GDB ChEMBL
310130,CNC(=O)C(C)Cc1cnnc(Cl)c1C,1,GDB ChEMBL
5286,CNC(C(N)=[NH2+])C(C)c1ncnc(Cl)c1OC,0,GDB ChEMBL
334350,NC1=NCC(C(=O)NC(=O)NC=O)O1,1,GDB ChEMBL
164713,[NH3+]C1CN2CC(=O)OC1C(O)C(O)C2,0,GDB ChEMBL
252893,CNC(C)=[NH+]c1cc(N)c(C)cc1N,0,GDB ChEMBL
130364,NC(=[NH2+])C(N)C(OCC(=O)[O-])C(N)=O,0,GDB ChEMBL
257402,CC1C[NH+]2C(C)CCC3C1CCC32,0,GDB ChEMBL
21856,COC1C(C)=CC(=CCO)C1C#N,0,GDB ChEMBL
330378,CC(C(=O)C(=O)[O-])(c1cccs1)C1CCOC1,0,GDB ChEMBL
147886,OCc1scc2cccc(Cl)c12,1,GDB ChEMBL
177102,CC12CCC3CCC(CC1)[NH+]32,0,GDB ChEMBL
262546,CCCCC=C(C)C1(C)CC(C)C1,1,GDB ChEMBL
20522,CC(C)C1CC(O)C(C(=O)[O-])[NH2+]1,0,GDB ChEMBL
175679,CCCC1CC(C)CC1CC1CC=CCC1,0,GDB ChEMBL
157116,COC1OC2C(C(N)=O)C2(O)C1C(=O)[O-],0,GDB ChEMBL
314112,COCC1C=CC[NH2+]C1CO,0,GDB ChEMBL
244663,C#CC(O)c1occc1COCC,1,GDB ChEMBL
67379,COC(=N)N(CC(=[NH2+])NCCC#N)CC(=O)[O-],0,GDB ChEMBL
190833,O=C1[N-]S(=O)(=O)CC[NH+]=C2CCOCC1N2,0,GDB ChEMBL
61269,[NH3+]CC1C2C3CCN1CC32,0,GDB ChEMBL
256167,C#CC(CCC(C)C)C(C)C,1,GDB ChEMBL
126620,CC([NH3+])C(C)Cc1nnnnc1C(=O)[O-],0,GDB ChEMBL
93402,CC12CCCC=CC1C1CC2CC1C1CC1,0,GDB ChEMBL
98630,CCC1C(O)C([NH3+])C(O)(CO)C1C,0,GDB ChEMBL
48166,CC1OC1C[NH+]1CCCC1,0,GDB ChEMBL
80263,CCC1c2ccccc2C2C=C(C)C3C2C13,0,GDB ChEMBL
201112,C#CC1=CCCC2=C(CC1)CC[NH+](C)CC2,0,GDB ChEMBL
349973,CC(C)CC(C)C1CCC(C)C2C1C2(C)C,0,GDB ChEMBL
246791,N#CC1CN1c1ncc(F)cc1[O-],0,GDB ChEMBL
331157,CNC(C(C#N)OC)C1CC(C[NH3+])CC(=O)O1,0,GDB ChEMBL
351429,NC(=O)C1CNC2C(N1)C2([NH3+])CO,0,GDB ChEMBL
184891,CC1C2C(=O)NC(=O)N2CC(=O)[N-]S1(=O)=O,0,GDB ChEMBL
358563,CCCCC1C(=O)C=C2C=CCC21CCC,0,GDB ChEMBL
394911,CNC(=O)c1sc(N)c(N)c1CCO,0,GDB ChEMBL
228782,CCC(C)(C[NH3+])CCc1cc(C)c(I)cc1I,0,GDB ChEMBL
344336,C#CCC1C2CC(O)(C(=O)CC2C)C1C[NH2+]C,0,GDB ChEMBL
186740,CC([NH+](C)C)C(C)(C)CNc1ccc(I)cn1,0,GDB ChEMBL
209861,CCC1C(C#CC[NH3+])COC1C,0,GDB ChEMBL
264984,C#CCC1CC(CCC)CCC(C)(C)C1C,0,GDB ChEMBL
283964,CCc1cc(C)cc(NC(C)C(C)(C)C=O)c1,1,GDB ChEMBL
377761,C[NH2+]C1CC2CC(C)(O)CC(C)(C2)C1C,0,GDB ChEMBL
195310,Cn1nccc1CC(N)=O,1,GDB ChEMBL
375441,CC1=CC(C(C#N)NC(N)=O)=CNC(=O)C1,0,GDB ChEMBL
41652,C#CCC1CC(=O)CC(C)C=CCO1,0,GDB ChEMBL
299570,C[NH+](C)CCC(=O)C12C[NH2+]CC(C[NH2+]C1)OC2,0,GDB ChEMBL
300220,C#CC1=CC(CC)[NH2+]CCC(C)(C)C1,0,GDB ChEMBL
365699,C[NH+]1CC2OC3C(O)C2C1C3O,0,GDB ChEMBL
144521,COC1(C=O)CN(C(C)=O)CCC1C,1,GDB ChEMBL
113599,NS(=O)(=O)OCCC1COC1C(=O)[O-],0,GDB ChEMBL
230509,CNC1(C)C[NH2+]C2COC(C[NH3+])CCCC21,0,GDB ChEMBL
370389,C#CC(C)(C)CC(C)(C)c1cccc(C)c1C,1,GDB ChEMBL
22589,CCC12CCC3CC1CC[NH+]32,0,GDB ChEMBL
312572,CC(C)(C)CC(CC=O)C(O)C[NH2+]C1CC1,0,GDB ChEMBL
73869,CCC1CCC(CC)C2CC(C)CCC2CC1,0,GDB ChEMBL
366508,CC(C)OC12CC(C1)N(C=O)C2=O,1,GDB ChEMBL
300502,C#CCC(CCOc1cnc(C)cn1)C(C)O,1,GDB ChEMBL
352619,CC1=C(CCCC2CC2)C(C)(C)CCC1,1,GDB ChEMBL
362358,C[NH2+]C1CC2CC(C)(O)C1C1(CCO2)CC1,0,GDB ChEMBL
196747,CCC#CCc1cc(Cl)ccc1C1CCC1,1,GDB ChEMBL
248644,CCOCC1CCCCC(=O)C(=O)NC(C)C1,0,GDB ChEMBL
77033,CCCC1C(C)C2CC([NH3+])C1C2C,0,GDB ChEMBL
390497,COC(C)(C(N)=O)C(=O)[C-](C#N)C=O,0,GDB ChEMBL
334735,CCC12CCCC(CCC1)C2CCO,1,GDB ChEMBL
97187,COCc1c(N)n[nH]c(=O)c1C(=O)[O-],0,GDB ChEMBL
198648,C=CCCC1(C=C)CC(C)C(=O)O1,1,GDB ChEMBL
156071,CCC([NH3+])C(O)C1(NC)C[NH2+]C1,0,GDB ChEMBL
340465,C1CN2CC3CC1[NH2+]C(C2)C31CC1,0,GDB ChEMBL
185974,CC1C2C[NH2+]C3CC(CC3C2)[NH+]1C,0,GDB ChEMBL
198817,N#CC1CCOCCC(=O)OC1,1,GDB ChEMBL
372613,CC#CC12C=CCCCC(CC(C)C1)C2,0,GDB ChEMBL
252839,C[NH2+]C12CCC3C(=O)N(C)CCC(C1)C32C,0,GDB ChEMBL
282190,CC1NC(=O)NC2(C[NH3+])C([NH3+])CC(O)C12,0,GDB ChEMBL
271548,[NH-]S(=O)(=O)c1nocc1C(=O)OCCO,0,GDB ChEMBL
23485,C1=C2C[NH+](CC1)CCCCC21CCC1,0,GDB ChEMBL
47529,CC(C)CC1(C)CC1Cc1cccc(Br)c1,1,GDB ChEMBL
255331,CCC(CCCC(C)=O)OCC(C)C(C)(C)C,1,GDB ChEMBL
260717,CCc1cc(F)c(C#CCCO)cc1C,1,GDB ChEMBL
173717,CC1OCC(C(N)=O)NC1COCC(N)C[NH3+],0,GDB ChEMBL
208582,CC1=CC([NH+](C)C(C)C)C(C)C2CC12,0,GDB ChEMBL
29776,[NH3+]CCN1CC1CC1CC1,0,GDB ChEMBL
181407,COC1C(C(=O)[O-])C2CC(O)(CO2)C1[NH3+],0,GDB ChEMBL
35451,CC1(CO)[NH2+]CC(C(N)C(N)=O)=C1C(=O)[O-],0,GDB ChEMBL
338876,CC1[NH2+]CC(N)(CC(O)CC[NH3+])C1(O)C(N)=O,0,GDB ChEMBL
174163,CCCC1(CC(N)C(F)(F)F)CC1OC,0,GDB ChEMBL
5237,CC1OC(=O)C2(O)C(N)C12[N-]S(C)(=O)=O,0,GDB ChEMBL
1972,CC1(C(O)C([NH3+])C(N)=O)CN(C(N)=O)C1=N,0,GDB ChEMBL
21522,CCCC(CC)CCCC1CC(C)C(C)C1C,1,GDB ChEMBL
261401,C[NH+]1CCC23CC2(C)COC3C1,0,GDB ChEMBL
190367,N=C1NCc2ccc(NC(N)=O)c(=O)nc2O1,0,GDB ChEMBL
194700,C#CC(C)C[NH2+]CC(C)(CC)C1CCCCC1,0,GDB ChEMBL
190852,CNc1c2c(c(F)c(=O)n1C)OCCO2,0,GDB ChEMBL
282184,CCC([NH2+]C)C(C)C1C=CC2CCC(=O)N21,0,GDB ChEMBL
146920,CC1CC2NC(=O)OC2C1[NH3+],1,GDB ChEMBL
101945,CCC1CC2=CCC3CCC(C)C(C3)C1C2,0,GDB ChEMBL
358223,CC(C)(C)[NH2+]C1C2CCC1OC2,0,GDB ChEMBL
85817,C#CCC(C)c1ccc(C)c(C(C)CC#C)c1,0,GDB ChEMBL
361036,C[NH2+]C1C2CC([NH3+])C1N(C(C)=O)C2,0,GDB ChEMBL
243353,CC1=CC(=O)NC2(C)CCC(CC2)C1=O,1,GDB ChEMBL
282233,CN1CC2COC(=O)C1(C=O)C2,0,GDB ChEMBL
375876,CCC(C)(C)C1CCC(OC)C1=O,1,GDB ChEMBL
377826,CCC(C)C1=CC([NH3+])C(C)(O)C1,0,GDB ChEMBL
269217,CCN1C(CC[NH3+])C2COC2C(C)S1(=O)=O,0,GDB ChEMBL
89643,CCCS(=O)(=O)NC(=N)N(C=O)CCC#N,1,GDB ChEMBL
309683,CCC1CC(C)C(C2(C3CC3)CC2)C1,1,GDB ChEMBL
203519,Cn1c(N)c(CCC[NH3+])c2c1COCCN2,0,GDB ChEMBL
359041,CCNc1nc(NC(=O)NC(C)=O)nsc1=O,0,GDB ChEMBL
174886,CC(C#N)NC1=NCC(CO)C1=O,0,GDB ChEMBL
129548,CCCCCC(C)C1CC(C)C(C)C(CC)[NH2+]1,0,GDB ChEMBL
53040,CCC[NH+]1CCC(C)(C(C)=O)NCC(NC)C1,0,GDB ChEMBL
184892,CC(O)C(C)CC(C)(C)C(C)(O)C(N)=O,0,GDB ChEMBL
8704,COc1cc(C(C)(C)CCC(C)C[NH3+])n(C)c1,0,GDB ChEMBL
157365,CCC12CC([NH3+])C[NH+](C)C(CC1(C)CO)C2,0,GDB ChEMBL
140104,C[NH2+]CCC12CC(C1)C(=O)N(C)C2,0,GDB ChEMBL
282010,CC(=O)N1C(=O)c2cc(F)cnc2C(C)C1C,1,GDB ChEMBL
297230,CS(=O)(=O)NC1C2CCOC1C2,1,GDB ChEMBL
295932,O=C(NCCO)NC(=O)C(=O)C1CO1,1,GDB ChEMBL
18811,CCCC#CCC(C#CC[NH+](C)C)CO,0,GDB ChEMBL
113478,CC1CCCCOCC2C3C(=O)C[NH2+]C3C12,0,GDB ChEMBL
346864,CCCCC1(C)C2CCC([NH3+])C21,0,GDB ChEMBL
235963,C#CC(CCCC)C1CCC(C)C(CC)C1,0,GDB ChEMBL
163422,C#CC(N)C(=O)Oc1c(N)nc(O)nc1OC,1,GDB ChEMBL
184926,C#Cc1cc(Br)c(CC)c(C(N)C(F)(F)F)c1,1,GDB ChEMBL
148552,CCC[NH2+]C(C(C)O)C1(C)OC1C,0,GDB ChEMBL
382153,CCC1(C)C2CCC([NH+](C)C)C1CC2[NH3+],0,GDB ChEMBL
397098,CC(C)C1CC(C)(C)C=CCC=CCC1C,0,GDB ChEMBL
4893,COC1CCNC(=O)C2C(S(=O)(=O)[O-])C12O,0,GDB ChEMBL
23611,CCN(CC(=O)[O-])C1C(O)C1([NH3+])CO,0,GDB ChEMBL
170078,CC([NH3+])C(C)CCCC(C)(C)O,0,GDB ChEMBL
243951,CC1C(c2ccc(Cl)cc2)CC2CCC21,1,GDB ChEMBL
204642,CS(=O)(=O)C1C(O)C12[N-]C(=O)NC2=O,0,GDB ChEMBL
11367,CCOC1CC1CC(N)=[NH2+],0,GDB ChEMBL
140757,COC1(C(=O)[O-])COC(C)CCO1,0,GDB ChEMBL
135410,CC1=CN(C=O)CCC1O,0,GDB ChEMBL
244570,CCC(=NO)C(C(C)[NH2+]C)C(O)C1C[NH2+]C1,0,GDB ChEMBL
108174,C=CC(=CC#N)C1=CC[NH+](C)CC1,0,GDB ChEMBL
273822,N#Cc1cc(N)nc(O)c1[NH+]=C(N)N,0,GDB ChEMBL
81520,CC1CC2(C)C(C)CCCC(C)C2C1O,0,GDB ChEMBL
72041,CNC(=[NH+]CC[NH2+]C)C(C)C,0,GDB ChEMBL
127259,[NH3+]C1CCC2C(CC3CC3)CCOC12,0,GDB ChEMBL
47380,C[NH+]=c1cc(C)c(F)c[nH]1,1,GDB ChEMBL
185270,CC1CC2[NH+](C)CCC2(C)C2CC12,0,GDB ChEMBL
53682,C=C(C)CCc1nccc(F)c1C,1,GDB ChEMBL
71245,CCCc1cc(Cl)c(C)cc1NC1CCC1,1,GDB ChEMBL
195538,O=C([O-])c1c(Cl)nc(C2COC2)[nH]c1=O,0,GDB ChEMBL
22614,OCC[NH2+]CCC1CCOC1,0,GDB ChEMBL
253627,COCc1nc(O)c(C)s1,1,GDB ChEMBL
161421,C#CCC(C)(CC)CC1C[NH2+]C1,0,GDB ChEMBL
71659,C[NH2+]C1(CN)CCOC1(CO)CC(C)C,0,GDB ChEMBL
259100,CC1=CC2CC([NH3+])C1(C(=O)[O-])C2CO,0,GDB ChEMBL
294789,Cc1ncc(F)cc1F,1,GDB ChEMBL
221698,CCCC(C(C)C)C1COC(CC(C)(C)C)C1,0,GDB ChEMBL
281148,CCC(C)C=C1CCNC(=O)NC1,1,GDB ChEMBL
109189,CC12CC(CNC1=O)C[NH2+]2,0,GDB ChEMBL
172760,CCC1CC23CC(C1C)[NH+](C)C2C3,0,GDB ChEMBL
259099,CC1c2ccc(Br)cc2C2C=CC1C2C,0,GDB ChEMBL
6805,CC1C2C(O)CC(=O)C(C(N)=O)N12,0,GDB ChEMBL
190788,[NH3+]CCCCc1nocc1C[NH3+],0,GDB ChEMBL
362601,C[NH2+]C1CC2C(C#N)N2CC1=O,0,GDB ChEMBL
47538,CC12CC(CC#N)C(C(=O)[O-])C1C2[NH3+],0,GDB ChEMBL
156182,CC(C=CC1CCCC1)=CC(C)C,1,GDB ChEMBL
105135,[NH3+]CC(O)C(=O)Nc1ccnc(O)n1,1,GDB ChEMBL
289825,CC12C[NH2+]CCCC(C1)C(=O)CC(=O)N2,0,GDB ChEMBL
348861,CC(=O)N1CCC2OC3C2C31,0,GDB ChEMBL
109172,CCCN(C=O)C(=O)NC=N,1,GDB ChEMBL
42296,C#CCCCC(C)C1(CCC)CC1,1,GDB ChEMBL
246764,C#CCCC(C)(C=O)CO,1,GDB ChEMBL
209868,Cc1sc(CO)cc1C(C)CCS(N)(=O)=O,0,GDB ChEMBL
207281,CC(=O)OC1CC(C(=O)N(C=N)C=O)CC1[NH3+],1,GDB ChEMBL
99691,CC1CCCCC2(CC2)C1CC(C)(C)C,1,GDB ChEMBL
165984,COC1CN(C)C(C)(C[NH3+])C1,0,GDB ChEMBL
132206,CC1CCCCCOC1(CO)CC[NH3+],0,GDB ChEMBL
340113,C[NH2+]C1(CO)C2CNC(=O)C21O,0,GDB ChEMBL
83155,C[NH2+]C(COC)C1OC2CC(O)C1(C)O2,0,GDB ChEMBL
251949,CC1=CC[NH+](C)CCCC1,0,GDB ChEMBL
234394,CC1=CC2(OCCNC2=O)C(C)C1,1,GDB ChEMBL
391812,CCCNc1cnc(I)cc1O,1,GDB ChEMBL
235988,CCC1CCOC2C=C(C)C1C2,0,GDB ChEMBL
115956,CC(C)NC(=O)C(=O)[O-],1,GDB ChEMBL
382521,CCC#CCC([NH3+])c1ccc(N)c(Cl)c1,0,GDB ChEMBL
228519,CC=C(COC)N(CCN)C(C)=[NH2+],0,GDB ChEMBL
175564,CCC1CCCC2C(C)CC(C)(C2C)C1CO,0,GDB ChEMBL
161033,C#CCNc1nnc(CC(=O)[O-])c(C)n1,0,GDB ChEMBL
328910,N#CC1(N)CNC2C(=O)OC21,1,GDB ChEMBL
374015,C#CC1CC2COC(C)C3C2C3[NH+]1CCO,0,GDB ChEMBL
137103,NC(=O)N1CC1C([NH3+])CC(N)C(O)C[NH3+],0,GDB ChEMBL
279294,C[NH2+]C1CC(O)C2(C[NH3+])COC12,0,GDB ChEMBL
332464,CCCCC12CCC3C=CC(C)C(C[NH2+]1)C32,0,GDB ChEMBL
1474,CCC[NH2+]C1CC(O)C1(C)N,0,GDB ChEMBL
208539,CC[NH+](CC)CC1CCC(C)CCC(OC)O1,0,GDB ChEMBL
263523,N#Cc1[n-]c(=O)ncc1CNCc1cscn1,0,GDB ChEMBL
157486,CC(C)(C)CCCC1NC1C(O)C[NH3+],0,GDB ChEMBL
305851,C#CCC(C#C)C1(CCC)CO1,0,GDB ChEMBL
34353,C[NH2+]C(CCNC=[NH2+])CC(NC(N)=[NH2+])C(C)O,0,GDB ChEMBL
5888,CC[NH2+]C1(CO)CC1(C)C,1,GDB ChEMBL
227285,[NH3+]C(C(=O)[O-])C(O)C1C(O)C1CO,0,GDB ChEMBL
161914,CCC[NH+](CC)C(C)(CC[NH2+]C)CC(N)=O,0,GDB ChEMBL
334157,C#CC1C(CC)C[NH+]2CCC(C)CC(C)C1C2,0,GDB ChEMBL
332412,CC(C)C12CCC(C(N)C1)[NH+](C)CC2O,0,GDB ChEMBL
330736,CC(C#N)(CC(N)(C#N)C(N)=O)C(O)C[NH3+],0,GDB ChEMBL
94892,CC(O)C(C)C1CN=C(Nc2cn(C)nn2)O1,1,GDB ChEMBL
391494,NC(=O)C1CC23C(C[NH2+]1)COC2C3[NH3+],0,GDB ChEMBL
369275,CC1=CC2C(C)(C)C1CCC2(C)C(O)C[NH3+],0,GDB ChEMBL
99596,CN1CC(C(CO)NC(N)=[NH2+])NC1=O,0,GDB ChEMBL
215374,C#CC(CC(=O)OC)C(=O)NC(=N)CCC[NH3+],0,GDB ChEMBL
71414,CN1c2ccc(O)cc2CCC1C#N,1,GDB ChEMBL
31105,C#CCC(C#C)CCCCCCCCCCC,1,GDB ChEMBL
216463,C[NH2+]C1(C)CC(CC[NH2+]CC(C)CCO)C1,0,GDB ChEMBL
92340,CCC([NH3+])C1CC1c1ccc(C#N)s1,0,GDB ChEMBL
121139,CC(=O)NC1C2OC(C2O)C1OC(N)=O,1,GDB ChEMBL
153329,Nc1cc(CC2(C(O)C[NH3+])CC2)cnn1,0,GDB ChEMBL
101875,CC(O)(C[NH3+])C1NC(=O)c2ccoc21,0,GDB ChEMBL
216529,C[NH2+]CC#CC1C=C(C)CC1(C)OC,0,GDB ChEMBL
338579,CCC1C(C)C=CC(C)C([NH2+]CCO)C1C,0,GDB ChEMBL
352664,C#CCC(C)C1CCOC(OC)C1,1,GDB ChEMBL
347037,C#CC1C(C)C[NH2+]CC2C(=O)NCC(OC)C21,0,GDB ChEMBL
338964,CC1CC(O)C2CC1C2(O)CNC(N)=[NH2+],0,GDB ChEMBL
54063,NC(=O)C1CNC(NC(=O)CO)=N1,1,GDB ChEMBL
160067,Cc1c(C2CC2)ccc(Br)c1N,1,GDB ChEMBL
210404,O=C([O-])C1CCC2(CC(O)C2)C(O)C[NH2+]1,0,GDB ChEMBL
190840,CCC1(C)CCCC1C1(C2CC2)CC1,1,GDB ChEMBL
377028,CCNS(=O)(=O)Cc1cn(C)nn1,1,GDB ChEMBL
190273,N#Cc1cc(N2CCC([NH3+])C2=O)c(N)cn1,0,GDB ChEMBL
288727,C[NH2+]CC1OCC2CC(C)=CC2O1,0,GDB ChEMBL
338534,CCCC([NH3+])C(C)OC(=O)C(C)(C)[NH3+],0,GDB ChEMBL
300946,CCCC(C)(C#N)C(CC)(CC)C1CCCC1,1,GDB ChEMBL
379147,COCC1N=CNC(=O)NCC1O,0,GDB ChEMBL
168415,CCCCC12CCC3CCC(CC1)C32C[NH3+],0,GDB ChEMBL
163378,C[NH2+]C(C)(CC[NH+]=CN)C(=O)[O-],0,GDB ChEMBL
186689,CC1NC(CC2CN2C)C(C(=O)[O-])NC1=O,0,GDB ChEMBL
13183,N=C1NC(=O)OC(=N)C([NH3+])CCCCNC1=O,0,GDB ChEMBL
228394,CCC12C[NH+](C1)C(C)C(C)C2=O,0,GDB ChEMBL
195301,CCC(C)C1(C2CCC#CCCCC2)CC1,1,GDB ChEMBL
199054,C[NH2+]C12CC1CC([NH2+]CCC(C)C)C2O,0,GDB ChEMBL
355370,COCC(C)CC1[NH2+]C(CN)C2CCCCC12,0,GDB ChEMBL
365735,CCCC[NH+]1C(C#N)CCOCCCC1CC,0,GDB ChEMBL
37283,CC1CC(C(C)(C)C)C(C)CC1C1CC1,1,GDB ChEMBL
191512,CC1=CC(C#N)NCCCC1C(C)C,0,GDB ChEMBL
160050,CCC1CCOC(CO)C2(O)C(C[NH3+])CCC12,0,GDB ChEMBL
109572,Ic1ccc2c(c1)N1CCC1C2,1,GDB ChEMBL
38891,CC1CC(=O)NC(=O)CC1=O,1,GDB ChEMBL
398841,CCC(=O)c1nc(N)c(NC)c(C)c1C=O,1,GDB ChEMBL
149431,C=CCOC(=O)C(NC=[NH2+])C(C)O,0,GDB ChEMBL
168464,[NH2+]=C1NCC(O)(CCO)CN1,0,GDB ChEMBL
320469,N=C(N)N1C=CC(N)(C(=O)[O-])C1=O,0,GDB ChEMBL
210261,Cn1nc(CC(N)=O)c(S(N)(=O)=O)c1C#N,1,GDB ChEMBL
79598,CC(O)CCNC1C(=O)OC1S(N)(=O)=O,0,GDB ChEMBL
146060,C[NH+](C)CC12C[NH2+]CC1C2,0,GDB ChEMBL
322950,C#CC1CC(=O)OCC2(C)CCC2C[NH2+]1,0,GDB ChEMBL
212571,C#CCCC(CC)c1c(F)ccc(F)c1C#C,0,GDB ChEMBL
41289,CCC1CC1[NH+]1CC2=C(CCC=CCC2)C1,0,GDB ChEMBL
120407,COc1c(C)ccc(CC[NH2+]C(C)(C)C)c1F,0,GDB ChEMBL
300510,NC(=[NH2+])NCC(CO)N=C(N)C(N)=O,0,GDB ChEMBL
311038,CCCCc1ccccc1-c1ccc(Cl)cc1,1,GDB ChEMBL
190328,O=C1NC(CO)C(O)CN1CCO,0,GDB ChEMBL
30325,CC(C)N1C(=O)C2CCC23[NH2+]CCC13,0,GDB ChEMBL
128312,C#CCC[NH+](C)CCC(C)C#C,0,GDB ChEMBL
126825,COC1CCC([NH3+])C2CC1(C)CC(=O)N2,0,GDB ChEMBL
306289,CC([NH3+])C1COC(=O)[N-]S(=O)(=O)C1,0,GDB ChEMBL
98653,C#CCN(C)c1csnc1CCCCO,1,GDB ChEMBL
176443,C#CCN=C1C(C(N)=O)CN1S(=O)(=O)CC,0,GDB ChEMBL
20741,CCC1CC(C)c2c(F)cccc2C2CC12,0,GDB ChEMBL
193317,N#Cc1n[nH]c2cnc(N)cc12,1,GDB ChEMBL
85055,C#CC(O)(C#C)C1CC[NH2+]CC(CO)NC1=O,0,GDB ChEMBL
363588,C#CCN1C(=O)CC2(C=O)CC1(CCC)C2,0,GDB ChEMBL
299615,CNC(=O)C1COC12CCCN(C)C2=[NH2+],0,GDB ChEMBL
85865,CC(C)(C)C([NH3+])CC#CC#CCO,0,GDB ChEMBL
338380,NS(=O)(=O)OCCn1cncn1,1,GDB ChEMBL
173139,CC1(O)C2C(O)CN(C(N)=O)C21,0,GDB ChEMBL
70118,CNC(=O)C(O)(COC)C(O)C[NH2+]C,0,GDB ChEMBL
20775,C[NH2+]CC1C(=O)NC(C(C)O)C2NC12C,0,GDB ChEMBL
133304,CC(CC(F)(F)F)C1(CC(C)(C)C)CO1,1,GDB ChEMBL
70058,C#CC([NH2+]C)C(C)CC1([NH2+]CC)CCC1,0,GDB ChEMBL
119890,COc1nc(N(C)C)sc(N)nc(O)c(C)n1,0,GDB ChEMBL
294427,CC1C(O)C(=O)N2C(=O)C[NH2+]CCC12C,0,GDB ChEMBL
174263,N=C1OCC(=CC(=O)[O-])N1CC[NH3+],0,GDB ChEMBL
341922,CCC1=CCc2ccc(C(C)C)c(Cl)c2C1,1,GDB ChEMBL
13854,CC[NH2+]C(C)CN1CC[NH+]=C1C,0,GDB ChEMBL
115713,CCC(CC)C1CC1c1cc(Cl)ccc1O,1,GDB ChEMBL
33330,CC12CC(O)C(C(=O)[O-])(C1)C2,0,GDB ChEMBL
37320,CCC1CS(=O)(=O)NC(=N)C1(C[NH3+])CC(=O)[O-],0,GDB ChEMBL
204612,CC1CC2CCC1CC2(O)COC(=O)N(C)C,1,GDB ChEMBL
356554,CC1CC2C3NC3(C)CN2C(=O)C1CO,0,GDB ChEMBL
379251,CC1C2CCOCC1C(CO)C2=O,0,GDB ChEMBL
372555,C[NH2+]C1CC(C)OC2CC(C)(C)[NH2+]C2C1,0,GDB ChEMBL
160325,CCCOCC1(C[NH3+])COC1=O,0,GDB ChEMBL
355136,[NH3+]C1C2CNC(=O)C2C(O)(CO)C1O,0,GDB ChEMBL
314911,CCC1C2CC1OCC[NH+](C)C2,0,GDB ChEMBL
228515,CS(=O)(=O)NC1CCC(=O)N2CC2CC1=O,0,GDB ChEMBL
59587,CC([NH3+])(Cn1ccnc1)CS(N)(=O)=O,1,GDB ChEMBL
118682,CC1C2CCCC=C2CC1C(C)(C)C,0,GDB ChEMBL
202040,O=CC(=O)N(CCCCO)CCS(=O)(=O)[O-],0,GDB ChEMBL
207266,COC12CN(C1)C(C(C)C)C2(C#N)C=O,0,GDB ChEMBL
38877,CC(NC(N)=[NH2+])(C(=O)[O-])C(O)C(N)C#N,0,GDB ChEMBL
73839,COCc1cn[nH]c1CC(CO)[NH2+]CC(N)=O,0,GDB ChEMBL
314160,CC1CC2(C(=O)[O-])C(C1C)N2C(N)=O,0,GDB ChEMBL
133333,CC(C#N)C(CO)OC1CC1,1,GDB ChEMBL
141869,Nc1cn2nnc(C(=O)[O-])cc(=O)c2n1,0,GDB ChEMBL
372204,C[NH2+]CCc1cc(N)on1,0,GDB ChEMBL
79301,CCc1ccc(C)c(CCN2CC2)c1Cl,1,GDB ChEMBL
6053,CNC(=[NH2+])C(O)C1(C)CN1C(=O)OC,0,GDB ChEMBL
279276,N#Cc1ccc(O)c(O)c1N,1,GDB ChEMBL
140843,C#CCC(C)C(C)C1CCC(C)(CCCC)C1,0,GDB ChEMBL
210162,CCC(C[NH+](C)CC)c1cncc(Cl)c1C=O,0,GDB ChEMBL
34414,NS(=O)(=O)CC(O)CC(CO)C(O)C[NH3+],0,GDB ChEMBL
262205,COC(CO)(CC[NH3+])CN1C=NCCNC1=[NH2+],0,GDB ChEMBL
195190,CCCC(C)(OC)C1CC2(C[NH+]=C(N)O2)C1,0,GDB ChEMBL
279261,C=CCC1C(C(C)C(C)C)C1(C)C,1,GDB ChEMBL
263490,C#CCc1cccc(Cl)c1C(C[NH3+])CC(N)=O,0,GDB ChEMBL
41273,CCC12C(=O)C[NH2+]CCC1C2(C)C,0,GDB ChEMBL
225384,CC1(C)C(=[NH2+])N(C(C)(C)CC(=O)[O-])CC1N,0,GDB ChEMBL
287036,CCC(CC)C(CC1CC1)C1(C)CC1,1,GDB ChEMBL
231086,CCC(C)(CCC(=O)C(=O)[O-])C(C)C,0,GDB ChEMBL
386505,[NH3+]CC1CCC1CCO,0,GDB ChEMBL
252064,N#CC1NC2C(C[NH3+])OC(OC1=O)C2CO,0,GDB ChEMBL
87084,Cc1noc(CC(N)=[NH+]CC(C)(C)C#N)n1,0,GDB ChEMBL
281680,CC(O)C([NH3+])C1OC(=O)CC1N,0,GDB ChEMBL
201981,Nc1n[nH]nc1C(CCC[NH2+]CCO)=N[O-],0,GDB ChEMBL
139852,CC(O)CCC1C([NH3+])C1OC(N)=O,0,GDB ChEMBL
173147,NC(=[NH2+])NC1C(O)C2CC(C(N)=O)C1[NH2+]2,0,GDB ChEMBL
379254,CC1(C(N)=O)CCC12[NH2+]C1CCC2C1,0,GDB ChEMBL
162884,CC#CCC1CC(C(C)CC)C2CCCC12,0,GDB ChEMBL
3976,N#CCN1C2CC(COC2=O)C2CC21,0,GDB ChEMBL
311690,COCCC1(O)C=C2C[NH2+]C(C)C2C1O,0,GDB ChEMBL
339957,Cc1cc(O)c(C2C3C(=NO)CCN32)c(F)c1,0,GDB ChEMBL
85867,CS(=O)(=O)NC(CO)C1NCC1C#N,0,GDB ChEMBL
104409,CC(CC#N)CC1=CC(=[NH2+])NC1,0,GDB ChEMBL
281631,CC1CC2CC3(COCC13)NC2=O,0,GDB ChEMBL
196511,CCC(C)C1(CN)CCCC[NH2+]1,0,GDB ChEMBL
308205,C#CC(CC([NH3+])C#CC)[NH2+]CC(C)C(C)O,0,GDB ChEMBL
372120,O=S1(=O)NC(Cn2cccn2)C2CC21,0,GDB ChEMBL
244499,CC1CC2CC3(C[NH2+]C3)CC(C1C)C2O,0,GDB ChEMBL
250581,COC(C[NH3+])CC1NC(=O)CN=COC1C[NH3+],0,GDB ChEMBL
243720,CN1CCC2=[NH+]CC(CN2)C(=O)C1=O,0,GDB ChEMBL
175894,CC1CC(C=O)[NH2+]CC2(COC2)N1,0,GDB ChEMBL
188529,CC1=NC(C[NH3+])C(=O)NC(=O)O1,1,GDB ChEMBL
173903,CC1[NH2+]CC(O)CC12C(C)C2C[NH3+],0,GDB ChEMBL
17289,CC(C)OCCCC1CC(C)(C)C=CC1=O,1,GDB ChEMBL
352164,CC1CC(CCCC(C)(C[NH3+])OCC[NH3+])C[NH2+]1,0,GDB ChEMBL
275625,CC(C)[NH2+]CCC1CC2OC2C1O,0,GDB ChEMBL
356828,CC1(C)NC1C[NH2+]CCC(N)C(N)=O,0,GDB ChEMBL
218571,CC12CNS(=O)(=O)CC([NH2+]1)C(O)C2C(=O)[O-],0,GDB ChEMBL
102269,COC1(C(C)C(C)(C)C[NH3+])CC1,0,GDB ChEMBL
330497,CCC(CC(N)=[NH+]C)n1nccc1CC(C)C,0,GDB ChEMBL
317761,COC1CC1(O)C(C)C[NH3+],0,GDB ChEMBL
330374,CC1CC(C)C(CC(=O)[O-])C(OC=O)C1[NH3+],0,GDB ChEMBL
317205,NC(=O)Cc1cnc(O)n1CC[NH3+],0,GDB ChEMBL
375487,CC(=O)NC1c2nnnn2C2C(O)C12[NH3+],0,GDB ChEMBL
338156,[NH3+]CC1NC(=O)c2oncc21,0,GDB ChEMBL
281695,CCCn1nc(C)c(C=O)c1C,1,GDB ChEMBL
173132,CCCCCC(C)(C)Cc1cnoc1C(C)C,1,GDB ChEMBL
383794,N#CC1N=C(N)NC(=[NH2+])OC1C(=O)[O-],0,GDB ChEMBL
67619,CC1CC2C3C1C(C)CC3C(C)(C)C2(C)C,0,GDB ChEMBL
121524,CC1CC2C(C1)C2CC1(C)CC=CC1,0,GDB ChEMBL
247210,N=C1OCCC(O)C2C(C(=O)[O-])N12,0,GDB ChEMBL
119438,CC1(C2(C#N)CCNC(=O)C2)NC1CO,0,GDB ChEMBL
249816,CCCCC1C[NH+](CC)CCC2C(C#N)N12,0,GDB ChEMBL
7760,COC12CC(C)C[NH2+]CC(C1)C2,0,GDB ChEMBL
277559,Cc1ccc(C(C)(C)O)cc1I,1,GDB ChEMBL
196503,CC1CC1(CCC#N)C1CCCC1,1,GDB ChEMBL
34225,Cc1[nH]c(=O)cc(O)c1C(N)C[NH3+],0,GDB ChEMBL
249568,CC(C(N)C1(N(C)CC[NH3+])CC1)[NH+](C)C,0,GDB ChEMBL
215858,Cn1ncc2c1CCC=CC1(CC[NH2+]1)C2,0,GDB ChEMBL
384793,CC1OCC2=C1CC(O)C([NH3+])C(=O)N2,0,GDB ChEMBL
11008,NC(=O)C1C2NCC(C(=O)C(O)C1CO)C2=O,0,GDB ChEMBL
280760,CCCC1C2CCCCCCC(CC)[NH2+]C12,0,GDB ChEMBL
312525,CCC(O)(C[NH2+]C)C1=NCC(=O)N1,0,GDB ChEMBL
71424,C#CC[NH2+]CC12CC(C)=CC(C1)C(=O)N2,0,GDB ChEMBL
94601,C#CC1(CC#N)CC(CC)CCCC1C,0,GDB ChEMBL
98659,CNc1c(C)c(N)c(CO)c2ccc(O)nc12,0,GDB ChEMBL
382498,CC1CC(O)C2CC1C(CC#N)CO2,0,GDB ChEMBL
303306,CCCc1cccn(C)c(C)cc(C(C)O)c1,0,GDB ChEMBL
314941,CCC1(N2CC2C(=O)[O-])CC[NH2+]C1,0,GDB ChEMBL
205902,CNC(=O)C12CC1(C)NC(=[NH2+])CC2COC,0,GDB ChEMBL
33186,CC(O)C1OCC(=O)OC(C[NH3+])C(C)OC1=O,0,GDB ChEMBL
221371,CCC1CC2OCC3CCC([NH2+]3)C2C1C(C)C,0,GDB ChEMBL
130485,CC1CNC(=O)Cc2noc(n2)NC(=N)N1,1,GDB ChEMBL
389499,CCCCC=C1CC2CC1C2(C)C,1,GDB ChEMBL
4913,C#CCCC(CC#N)C(F)(F)F,1,GDB ChEMBL
113553,CC(=O)n1c(C)cnc1NC(=O)[C-](C#N)C#N,0,GDB ChEMBL
19390,C#CC(C)Cc1cc(CCC)c(CC)cc1Br,1,GDB ChEMBL
172317,CCC1CCC=C1C(CC)CC(C)C1CC1,0,GDB ChEMBL
186597,[NH3+]C1CCC(CCCCO)C2CN3CC3C12,0,GDB ChEMBL
112484,Cc1nc(CC2CO2)c[nH]1,1,GDB ChEMBL
286895,Clc1ccnc2c1CCC=CC1(CC1)C2,1,GDB ChEMBL
81127,CCN1CCN2C(OC)=NCC(=O)C2C1=O,0,GDB ChEMBL
193287,C[NH+]1CC2C3NC(=O)C1C2C3O,0,GDB ChEMBL
358857,CNC(=O)C1C([NH3+])C(O)C2NS(=O)(=O)C21,0,GDB ChEMBL
289284,CC#CC(C)(CCCC)C(C)C=O,0,GDB ChEMBL
386658,CNC(=O)CN=CNC(=N)OC,0,GDB ChEMBL
142003,CCC1CC(C)(CO)[NH+](CC)CC1(C)[NH3+],0,GDB ChEMBL
33117,CC1([NH3+])CC2CNC(=O)C1C2(C)C(=O)[O-],0,GDB ChEMBL
137096,C=C(CC)NC(=O)N(CC)C(C)C,1,GDB ChEMBL
398223,CCc1cc(OC)c(C)c(=O)o1,1,GDB ChEMBL
342580,COC1(C)C(C=O)NCC1(C#N)CO,0,GDB ChEMBL
281835,C[NH2+]C(C)C1CC=CC1C#CCC[NH3+],0,GDB ChEMBL
124525,C#CCc1c(C)c(C)cc(C)c1CC[NH3+],0,GDB ChEMBL
295910,Cc1nnc(NCC(N)(C[NH3+])CC#N)s1,0,GDB ChEMBL
218792,CC(NC(=O)CO)c1nc(=O)[nH]nc1N,0,GDB ChEMBL
378918,CCC(O)C1CC(C)C2(C)CC(C)CC12,0,GDB ChEMBL
255958,CN=C(N(C(N)=O)C1CC1)S(N)(=O)=O,1,GDB ChEMBL
45929,CCc1cnc(F)c(COCC(=O)[O-])c1CC,1,GDB ChEMBL
164658,CCOC(=O)NC1=NCCN1,1,GDB ChEMBL
211118,NC(=O)C(N)(C[NH3+])C(N)(CO)C(=O)[O-],0,GDB ChEMBL
301143,C[NH2+]C(CO)C1(C)COC(C)C1(C#N)C=O,0,GDB ChEMBL
343959,C[NH2+]C1CC(=O)NCC(=O)C1OCC1CC1,0,GDB ChEMBL
38939,CC1(CC2C3CCCC2C(C)(O)C3)CCCC1,0,GDB ChEMBL
324013,CC1CCC2CCC(C)CC2C1,1,GDB ChEMBL
134429,N=C1NC(=O)C(C(N)CO)N1C=O,0,GDB ChEMBL
370287,C#CCCC1[NH2+]C(C)(C)CCCC12CC2,0,GDB ChEMBL
362569,CC(C=O)C(=O)N1CC=CC1=O,1,GDB ChEMBL
16731,CCCNC(=O)C(C)C1CCC(C[NH+](C)C)C1,0,GDB ChEMBL
262225,CCCN1CC2[NH2+]CC(C)(C)C(OC1=[NH2+])C2O,0,GDB ChEMBL
361601,O=C1CC2C(CO)C(NS2(=O)=O)C(CO)N1,0,GDB ChEMBL
337207,CCC1CC(=O)CC2(C)CCCCC(=O)N12,0,GDB ChEMBL
89087,CC(=O)N(C=O)C(=N)N(C)C=O,1,GDB ChEMBL
76989,COCCC1CC2C(=O)C(C)CNC2(C#N)C1,0,GDB ChEMBL
271042,CC1CC(O)C2N=C(N)OC12C#N,0,GDB ChEMBL
304056,CC(=O)N1C(=O)OCC2(C)CC([NH3+])C12,0,GDB ChEMBL
249621,CC(O)C1C[NH2+]C(C(=O)[O-])C2(CC2)N1C,0,GDB ChEMBL
157095,OC1CC2[NH2+]CC3C(C1)C23,0,GDB ChEMBL
28966,C#CCC(O)C(Cc1cc[nH]c1)OCCOC,0,GDB ChEMBL
391694,COC1CC=CC2(C[NH3+])C[NH+](C1)C2,0,GDB ChEMBL
83142,CCS(=O)(=O)[N-]C1C(=O)CC2COC1O2,0,GDB ChEMBL
195431,CNC(CS(N)(=O)=O)C(O)(C[NH3+])CO,0,GDB ChEMBL
138343,CC(C)OCCC1CCC2(C[NH3+])OC2C1,0,GDB ChEMBL
305531,CN1C(=O)C=C(C#N)CC1C[NH3+],0,GDB ChEMBL
296381,CCCCC1CCCC(C)(C2CC2C)C1,0,GDB ChEMBL
4720,CCC#CC(O)(CC)C1CC1,1,GDB ChEMBL
372094,CCCCc1cc(C)nn1CC,1,GDB ChEMBL
212563,CCC1CCCCC(C)CC(C(C)(C)C)C1C,0,GDB ChEMBL
226276,N#CCCC(O)C1C2CNC(=N)C1(O)C(=O)O2,0,GDB ChEMBL
21546,COCC1NC2C(=O)NCC12O,0,GDB ChEMBL
162545,C#CC(=CCOCC[NH2+]C)CC=O,0,GDB ChEMBL
26564,Cc1cc(C(C#N)NC(N)=O)nnc1N,1,GDB ChEMBL
35684,CCCCC1CC2(C)CC(C)(C1)C1C(C)C12,0,GDB ChEMBL
355357,COCCN(C)C(=O)C#CC(N)=[NH2+],0,GDB ChEMBL
279138,CCC(O)C1C(CC)C(C)=CC1C(C)C,0,GDB ChEMBL
190129,CN1CC(=O)NCc2cocc21,1,GDB ChEMBL
202490,CC[NH+]1CC(OC)CC1C=O,1,GDB ChEMBL
48090,CC([NH3+])C1OCC1(C)C(=O)[O-],0,GDB ChEMBL
190223,CCC1[NH2+]CCC1(C)OC,1,GDB ChEMBL
121131,CC(C)c1nc(Cl)ccc1C1CNC1=[NH2+],0,GDB ChEMBL
223289,COC1CNC(C#N)COC1(C)C[NH3+],0,GDB ChEMBL
304310,CCC1C2CCOCC(C([NH3+])C(=O)[O-])C12O,0,GDB ChEMBL
309785,NCC([NH3+])C1COCC(O)C=CC1O,0,GDB ChEMBL
98882,CC1COCC2CCCC3(CCC3)C[NH2+]C12,0,GDB ChEMBL
379379,COC1OC(CO)C(OC)C(O)C1O,1,GDB ChEMBL
315234,COCC1(C(C)C(N)=O)CO1,1,GDB ChEMBL
3947,C#CCC(C)(C(=O)[O-])C(C)C,0,GDB ChEMBL
252747,CS(=O)(=O)NC1CNC2CC2(C[NH3+])NC1=O,0,GDB ChEMBL
375503,Nc1cn2c(=O)n(CCC[NH3+])cc(C[NH3+])c2n1,0,GDB ChEMBL
186649,Cc1cc(N(C=O)CC(F)(F)F)n[nH]1,1,GDB ChEMBL
315261,N#CC(C1CC[NH2+]1)C(N)C(=O)[O-],0,GDB ChEMBL
361006,CCC[NH+]1CC2NC(C[NH3+])COC(=O)C2(C)C1,0,GDB ChEMBL
349955,CC1CC2CCC(C)(C1)C(CO)C2,0,GDB ChEMBL
386402,N#CC(OCC[NH3+])C1(O)C(=O)OCC1CCO,0,GDB ChEMBL
47729,CCCC#CC1CC2=C(C[NH2+]C2)C1,0,GDB ChEMBL
241083,CCCC1([NH3+])CC1C1CCCC1,0,GDB ChEMBL
395118,C#Cc1ccc(F)c(CC#CC(C)=O)c1,1,GDB ChEMBL
47984,CC[NH+](CCO)C(C)C(C)N(C=N)C=[NH2+],0,GDB ChEMBL
184509,C=Cc1cc(Br)c(C(=O)[O-])cc1Br,1,GDB ChEMBL
385472,N#C[C-](C(N)=O)C(C=O)c1cn[nH]c1,0,GDB ChEMBL
374908,CC(O)C1C2C(CC[NH3+])C[NH+]1CC1OCC12,0,GDB ChEMBL
258727,CCC1C(=O)C2CC1C=CC2C,0,GDB ChEMBL
394273,C=CCC1CCC2CCCCC=C12,1,GDB ChEMBL
107807,CC1C2NC3CC[NH+](C3)CC12O,0,GDB ChEMBL
315248,CC(CCCO)CC1CC1C(C)C,1,GDB ChEMBL
363759,CCC1CC2([NH3+])CNC2(C(=O)NC)C1O,0,GDB ChEMBL
200734,C=C(C)C1C2C[NH+]3CC(O)C2CC13,0,GDB ChEMBL
97102,CCCC12OC(=O)NC1C2C[NH3+],0,GDB ChEMBL
42245,C[NH2+]CC1(C2C(C)C2[NH3+])OCCC1(C)O,0,GDB ChEMBL
265539,CCC(C)C1C(N)C1[NH2+]C1CC1,0,GDB ChEMBL
221707,CCCCC(C)c1c(C)cc(C(C)[NH3+])nc1Cl,0,GDB ChEMBL
318787,N#CC(C[NH3+])C1(CO)C2CCCC21,0,GDB ChEMBL
204779,COC1(C(N)=O)C(=NO)CC[NH2+]C1(C)CO,0,GDB ChEMBL
263477,O=S1(=O)NC2CCOCC2C1CO,0,GDB ChEMBL
251920,CCCC1CCC(O)C2NC2C1,0,GDB ChEMBL
21702,CC#Cc1c(C)coc1CCC(C)C,1,GDB ChEMBL
317962,CCOCC(C)(C#N)CS(N)(=O)=O,1,GDB ChEMBL
21478,CCc1nc(Cl)c(OC)nc1C,1,GDB ChEMBL
287028,CC1CCC2(CC2)C(C#N)N1,1,GDB ChEMBL
394289,C#CC1CCCC2C(C)CCCCCC12C,0,GDB ChEMBL
260527,CCOC1CC12CC1CC([NH3+])CC2(O)C1,0,GDB ChEMBL
71417,CC1(C(N)=O)NC(C[NH3+])COC1=N,0,GDB ChEMBL
207371,Cc1c(C#N)csc1CC([NH3+])CC(C)(C)O,0,GDB ChEMBL
184104,CCCN1CCC(CO)OC(=O)NC(=N)C1,1,GDB ChEMBL
153739,CCc1ccc(C(C)[NH3+])cc1C1C=CCC1,0,GDB ChEMBL
225412,C#CC1C(C)C(CCCC)C(C#C)C1(C)CC,0,GDB ChEMBL
152572,N#CC(=N[O-])C1(O)CNCC(O)CNC1=O,0,GDB ChEMBL
64679,CC1(O)CC(=O)OCC(O)C1,1,GDB ChEMBL
275580,O=CC1CC(=O)C(O)C(=O)N1CCO,0,GDB ChEMBL
186728,CC1(C2CC2)CCNC1C#N,0,GDB ChEMBL
62082,COC(C)C(N)c1noc(COCC(=O)[O-])n1,1,GDB ChEMBL
348437,Cc1c([O-])n(C(N)=O)c(=O)[nH]c1=O,0,GDB ChEMBL
141803,C#CC(C)C(CCC)C(C)(CC)CCC,0,GDB ChEMBL
361640,COC(=O)C1(O)CC(CC#N)(CC(C)C)C1,1,GDB ChEMBL
147592,CC1C=CCC(C)c2ncccc2C1,1,GDB ChEMBL
27015,Nc1snc2c1CC(NC(=O)C[NH3+])C([NH3+])CO2,0,GDB ChEMBL
350686,C#CCCCCc1cc(C(C)C)cc(C)c1C,1,GDB ChEMBL
299735,CC1C([NH3+])C(N)COC1C(O)C[NH3+],0,GDB ChEMBL
45095,CC[NH2+]C1(C)CC(C)C2C=C(C)C1C2O,0,GDB ChEMBL
97199,COC(=[NH2+])NC1CC(=O)NC1C(=O)[O-],0,GDB ChEMBL
146086,CC(O)C(=O)[N-]S(=O)(=O)C1C2C[NH2+]C1C(O)C2,0,GDB ChEMBL
83540,[NH3+]C1COC(=O)C(C(O)C(=O)[O-])C1O,0,GDB ChEMBL
361019,C1CCC2C[NH+]3C(CC1)CCC23,0,GDB ChEMBL
219544,CCC(C)c1c(Br)c(Br)cc2cccc(Br)c12,1,GDB ChEMBL
369284,CC([NH3+])C1CC([NH3+])CCC[NH+]=C(N)C1O,0,GDB ChEMBL
394370,CCCC1C2CC(CC2C)C1(C)C,1,GDB ChEMBL
274646,COC1OC(C)C2C(O)C(=O)NC1C2(C)[NH3+],0,GDB ChEMBL
140842,C#CC(CC(C)(O)CC)(OC)C(C)C,1,GDB ChEMBL
65606,CCC[NH2+]C1(CC(N)=O)CC1,0,GDB ChEMBL
352817,C#CC1C(C)N(C)CC2C(O)CC[NH+]12,0,GDB ChEMBL
182471,CC(O)C([NH3+])C1OC(=N)OC1C([NH3+])CC(N)=O,0,GDB ChEMBL
70173,C#CC(C)C(CC)COC(CC)c1ccsc1,1,GDB ChEMBL
281666,CS(=O)(=O)[C-](C(=O)NC(N)=[NH2+])C1OCC1O,0,GDB ChEMBL
151250,Cc1noc(C(N)(CO)C(=O)NC=O)n1,1,GDB ChEMBL
50940,CC(O)CCn1nccn1,1,GDB ChEMBL
355829,C#CCN=C(OCC)C(C)(CC)CC(N)=O,0,GDB ChEMBL
394881,C[NH2+]CC(O)C1(C=O)C2C(=O)[N-]S(=O)(=O)C21,0,GDB ChEMBL
103460,CC[NH2+]C12C=CCC(CC1)CC2,0,GDB ChEMBL
241134,COCC1OC12C(=O)CCN=C2N,0,GDB ChEMBL
160340,CC[NH2+]C(C)(CC)C1CC2(C)CCCC2(C)C1,0,GDB ChEMBL
276085,CC1C(C#N)NCc2c(ncn2C)N1C=O,0,GDB ChEMBL
355384,C#CCC1[NH2+]CC2OC2(C)C1CO,0,GDB ChEMBL
76985,CC1CC(C(C)([NH3+])C(C)C(F)(F)F)C(=O)N1,0,GDB ChEMBL
33562,CC(C)(C)OC(=O)CC[NH+]=CN,0,GDB ChEMBL
194768,CCC([NH3+])C(O)C1(N)C(O)C1OC(C)=O,0,GDB ChEMBL
112853,COC(C)CC1(C2CCC2)CC(N)C[NH2+]1,0,GDB ChEMBL
64081,CC1CCCCC=C2CC=CC2(C)C1,0,GDB ChEMBL
250537,OC1(c2nccs2)CC1,1,GDB ChEMBL
316453,CC1CCC(O)C(C#N)C(C)C(C)C1,0,GDB ChEMBL
151264,[NH3+]CCc1cc(I)cc2c1C([NH3+])CCC2,0,GDB ChEMBL
156555,CCC1NCC(C)[NH+](CC)C1C,0,GDB ChEMBL
255379,NC(=O)CNC1=[NH+]CC(CCO)(C(N)=O)N1,0,GDB ChEMBL
238023,C#CCC(O)CC1([NH3+])CCC(CC)C1,0,GDB ChEMBL
151109,CC12C3CCN1C(=O)OC2C3(O)C(N)=O,0,GDB ChEMBL
243369,Cc1c(NC2(C)CC2)nc(F)c(N)c1C,1,GDB ChEMBL
249435,NC1(C([NH3+])CO)C(CC(=O)[O-])OC(=O)C1O,0,GDB ChEMBL
240369,CN1C(=O)CNC(=O)c2nonc21,1,GDB ChEMBL
398766,CC1(CO)CC([NH3+])CC(C2C=CCC2O)C1,0,GDB ChEMBL
283978,CCCC1CCOC(=O)CC(C(C)(C)C)O1,1,GDB ChEMBL
395960,CCn1c(C)cc2oc(N3CC3)nc2c1=O,1,GDB ChEMBL
45922,CCCC(C)(C1CC1)C1C=C(C)CC1(C)C,0,GDB ChEMBL
141787,CC1=CC2CC(CC(C)(C)C)C(C)C2CC1,0,GDB ChEMBL
305464,C[NH2+]C(C)C(=O)C(CC#N)C1CC(C)(C)C1,0,GDB ChEMBL
207897,C#CCNC1CC1[NH2+]CC,0,GDB ChEMBL
304273,CC(O)C(CCO)NC(=[NH2+])CS(N)(=O)=O,0,GDB ChEMBL
230445,CCC1CC(=O)C2(C#N)C(C)C12NCCO,0,GDB ChEMBL
211154,C#CC1C=CCC1C[NH2+]C,0,GDB ChEMBL
333058,CCCNC1(C(N)=O)CC([NH3+])CC1[NH2+]C,0,GDB ChEMBL
33262,COC(=O)CC(=O)C(C)(C#N)NCC#N,1,GDB ChEMBL
345741,CCc1c(C#N)c(F)c2[nH]c(C#N)cc2c1F,1,GDB ChEMBL
125577,CC(=O)NC(C[NH+](C)C)C(C)CC[NH3+],0,GDB ChEMBL
366876,C#CCN1CCC(C)C2CC(C)C(O)C(=O)C21,0,GDB ChEMBL
124890,CC1(C)[NH2+]Cc2cccc(Cl)c21,0,GDB ChEMBL
300144,CCOC(=N)NC(=N)NC(=O)CN,1,GDB ChEMBL
235516,CCC1(O)C(=O)NC(C)(C)CN(C=O)C1=O,1,GDB ChEMBL
26340,CC(O)c1ccnc(C=O)n1,1,GDB ChEMBL
142950,CCn1c2c(cnc1=O)C1CC([NH3+])C2C[NH2+]1,0,GDB ChEMBL
222571,CC(CO)(CC1CO1)CC([NH3+])C(O)C[NH3+],0,GDB ChEMBL
290263,NC(C[NH3+])COC(=O)C(N)C(=O)[O-],0,GDB ChEMBL
137111,CCN1CC=CC1=[NH+]Cc1ccc(N)cc1,0,GDB ChEMBL
248626,c1cnc(C2C[NH2+]C2)nc1,0,GDB ChEMBL
392708,[NH3+]C(CO)(CC(O)CCS(=O)(=O)[O-])C(=O)[O-],0,GDB ChEMBL
394914,CC(C)([NH3+])Cc1cnoc1,1,GDB ChEMBL
232065,C#CC(C=C)C(C)[NH2+]CC(O)CO,0,GDB ChEMBL
84874,CCN1CC=Cc2c(O)ncc(Cl)c21,1,GDB ChEMBL
273628,CCC(C)CCCC(C)C(C(C)C)C(F)(F)F,1,GDB ChEMBL
159856,OCCC1CC(O)CC12CC2,1,GDB ChEMBL
34753,CCC1=C(CC(=O)[O-])C(=O)NC1CC,0,GDB ChEMBL
177206,c1c[nH]c(C2CCC[NH2+]2)n1,0,GDB ChEMBL
38751,Nc1nc(O)cc(F)c1C1(N)CC([NH3+])C1,0,GDB ChEMBL
38475,C=CCC(C=C(C)C)C1CCCC1,1,GDB ChEMBL
155776,CC(C[NH+]=C(N)N)OC(=O)c1nncs1,0,GDB ChEMBL
292324,CCC1CC#CCCC(C)CCCC1,0,GDB ChEMBL
17440,CCc1sc(=N)c(CCC[NH+](C)C)c(O)c1Br,0,GDB ChEMBL
384268,CCC#CCc1c(C)cncc1OC,1,GDB ChEMBL
104611,N#CCS(=O)(=O)NCc1cc[nH]n1,1,GDB ChEMBL
362057,C#Cc1cc(C)c2c(c1)CC(C#C)CC(C)O2,0,GDB ChEMBL
177167,C[NH2+]CC(C)C(CCC#N)CCCCC(C)O,0,GDB ChEMBL
351344,COCC1NC(=O)C2NC2C1C,0,GDB ChEMBL
331159,C#CC1(CC(=O)[O-])CC([NH3+])(CC)CN1C,0,GDB ChEMBL
120341,CCCCC1CC2CC(C)C(C)(CC)CC2C1,0,GDB ChEMBL
217385,CN(C(=N)N)C(=O)c1nc[nH]c1[O-],0,GDB ChEMBL
209668,C#CC1(C(C)C)CC([NH2+]C)CCC(=O)C1CC,0,GDB ChEMBL
45914,CCC1C(C=O)C(=O)N1C1CC1,1,GDB ChEMBL
335464,CC1CN(C=O)CCC(=O)N1,1,GDB ChEMBL
115385,CCC1=CC=CCCC(C)(C)CC1,1,GDB ChEMBL
283454,C#CC(OC)C1(C)CCC2(CC[NH2+]C2)C1C[NH3+],0,GDB ChEMBL
281651,Nc1ccc(N2CC3CC2C3(O)C[NH3+])nc1,0,GDB ChEMBL
292228,NC(=O)C1[NH2+]C2CC1CC2(CO)S(N)(=O)=O,0,GDB ChEMBL
325912,CNC1=[NH+]CC(O)C(OC)C(O)CN1,0,GDB ChEMBL
48005,CCc1csc(C2(C#N)OCC[N-]C2=O)n1,0,GDB ChEMBL
5031,CC1(C(CO)CCO)OC1C#N,1,GDB ChEMBL
358921,CC1(CO)CC2C(C[NH2+]CCC(=O)N2C=O)O1,0,GDB ChEMBL
276302,N#CCC12CCC1C[NH2+]C2CO,0,GDB ChEMBL
207903,CC1=CCC(C)NC(=O)N1C(=O)C(C)C,0,GDB ChEMBL
251459,CCOC1CC2CC(C)C3C2C3(C)C1,0,GDB ChEMBL
261184,Cc1cc2c(cc1F)C1CC1C2,1,GDB ChEMBL
13155,CC1CC2OC(C)C1OCC2[NH3+],0,GDB ChEMBL
207915,C#CC1CC(C)=CC2C(CC)CCC2[NH+]1C,0,GDB ChEMBL
153246,CCCC12CCCC1C(C)C(C)C2,1,GDB ChEMBL
172751,Cn1c(Cl)nc(=O)c2cc(C[NH3+])c(Cl)c([O-])c21,0,GDB ChEMBL
103895,CC#Cc1c(O)c(C)cc2c1COC21CC1,1,GDB ChEMBL
45089,CCCC=C(C)CC1C(O)C1CC,1,GDB ChEMBL
263441,N#CCNC1C(O)CC1CC[NH3+],0,GDB ChEMBL
210743,[NH2+]=C(NC1CCC1)c1ccoc1CO,0,GDB ChEMBL
77740,Cc1ccnc2c1CCCS2(=O)=O,1,GDB ChEMBL
189986,C#CC1CC2CC[NH+]3C1CC(O)C23,0,GDB ChEMBL
194529,N#C[C-](O)C(=O)C(=O)OCCO,0,GDB ChEMBL
98884,C#Cc1cc(O)c2c(c1)C(C)C1CC21,1,GDB ChEMBL
263808,[NH3+]CCCOC1CCOC(=O)CCCCO1,0,GDB ChEMBL
137420,CC1OCOC(CO)CC(O)C1O,1,GDB ChEMBL
94864,O=C1CCNC2(CN1)CC(=O)c1cn[nH]c1C2,1,GDB ChEMBL
115157,Cc1cc(OC2CNC2=[NH2+])c(O)cn1,0,GDB ChEMBL
25157,CC#CCC(C)C(C)(C)CCC(C)C,1,GDB ChEMBL
243398,OCc1cc(I)c2cc[nH]c2n1,1,GDB ChEMBL
289981,CCC(C#N)CC(C)C(F)(F)F,1,GDB ChEMBL
398936,OCCOC1COC2(CCC[NH2+]CC2)OC1,0,GDB ChEMBL
97117,C=C(CC)CC(C)CCCCCC,1,GDB ChEMBL
70298,Cc1cc(C(C)(C)OCC(C)C)c(C)cc1F,1,GDB ChEMBL
272518,C#CCN(CCC(N)=[NH2+])CC1NC(=O)CC1O,0,GDB ChEMBL
179434,COC1CS(=O)(=O)CC1OC,1,GDB ChEMBL
212541,CCCC1CCC2CC(O)(C(=O)[O-])C1OC2=O,0,GDB ChEMBL
128314,CC1(C#N)CC2COC(C(N)=O)C1N2,0,GDB ChEMBL
278834,NC(=O)CC([NH+]=C(N)N)C(O)C[NH3+],0,GDB ChEMBL
349970,C#CC1(N)C([NH3+])C(O)C(O)C1C(=O)NC,0,GDB ChEMBL
380246,CCC1OCC1CC(=O)[O-],1,GDB ChEMBL
235551,N=c1cc(N)c(C(N)=O)c(C(=O)NCC[NH3+])[nH]1,0,GDB ChEMBL
208402,CC1NC(=O)C2C(=N)OC(C2N)C1O,0,GDB ChEMBL
118703,O=C1NCCNc2sc(CO)nc2N1,0,GDB ChEMBL
284814,CC1(C[NH3+])C2[NH2+]CC1(O)C(C(=O)[O-])C2O,0,GDB ChEMBL
204551,COCC12CC(C)=CC(C1)OC2(C[NH3+])CO,0,GDB ChEMBL
257453,COC1OCC(C2NC(=O)OCC2[NH3+])C1O,0,GDB ChEMBL
84890,CC[NH+]1CC(CO)(C(C)(C)C)CCOCC1C,0,GDB ChEMBL
273854,CC[NH2+]C(CO)CS(=O)(=O)[N-]C=O,0,GDB ChEMBL
299753,CNC(=O)CC1(CNC=O)OC(=O)NC1=N,1,GDB ChEMBL
261378,Cc1cc(Cl)c(CC(C)(C)C)c(Cl)c1,1,GDB ChEMBL
370297,CCC1CC2(CCC1C)CC(CC)C(CC)C2,1,GDB ChEMBL
242977,CC1CC(C)(C)C(C)C2(C)CCC(C2)[NH+]1C,0,GDB ChEMBL
9838,CCCC1(CC(C)C)[NH2+]CC2NC1CCC2C,0,GDB ChEMBL
133331,[NH3+]C(C(=O)[O-])C1(O)CC2[NH2+]CC1C2O,0,GDB ChEMBL
74313,CC1OCC2CCC[NH2+]C(C2)C2OC(N)=NC12,0,GDB ChEMBL
140395,CC([NH3+])c1cc(OCC[NH3+])cc(CO)n1,0,GDB ChEMBL
395659,CCC(CC(C)C)C([NH3+])CC#CCC(C)C,0,GDB ChEMBL
203503,CCC(C)(O)C(OC=O)C(C)C,1,GDB ChEMBL
352166,CCc1cc(F)c(CC(C)CC)c(F)c1,1,GDB ChEMBL
21536,CC(CCO)CNCc1nnsc1C(N)=O,1,GDB ChEMBL
236656,CC(=O)Nc1nc(=O)nc(NCC[NH3+])s1,0,GDB ChEMBL
126654,[NH3+]CC1C2NS(=O)(=O)CC([NH3+])C1NC2=O,0,GDB ChEMBL
320782,Nc1ncccc(=O)c1O,1,GDB ChEMBL
239346,C#CC1C(C)CCC(O)CCC(C)[NH+]=CN1C,0,GDB ChEMBL
112887,CCC1(c2cccc(I)c2C)CCCC1,1,GDB ChEMBL
70152,C[NH+](C)CC1=CC2C(CCOC1)C2(C)C,0,GDB ChEMBL
201424,CC1OC(S(=O)(=O)[O-])C(NC(N)=O)C1O,0,GDB ChEMBL
4848,CCC(C(O)c1ccc[nH]1)C(C)[NH+](C)CC,0,GDB ChEMBL
331147,CC1CC(C(O)C(C)(C)O)[NH2+]C1C(N)C(=O)[O-],0,GDB ChEMBL
174650,CC1(C)CN=C2C=CCC(O2)C(=O)N1,0,GDB ChEMBL
19394,[NH3+]C1COCOC(C([NH3+])C(O)C(=O)[O-])C(O)C1,0,GDB ChEMBL
318766,Cc1c(O)c(F)c(C)c2c1NC1(CO)CC21,0,GDB ChEMBL
277942,C#CC[NH2+]C1C(C)CCC2CC21,0,GDB ChEMBL
61508,CNC(CNC(N)=O)C(N)C#N,1,GDB ChEMBL
262236,CC1CCC2(NC(=N)OC2C[NH3+])C(O)C1,0,GDB ChEMBL
197194,COC1C(C(C[NH3+])C(C)C)CC(O)C2CC21,0,GDB ChEMBL
21842,CCCC1CC2(C)C[NH+](C2)C(C)(C)C=C1C,0,GDB ChEMBL
138401,N#CC1NCC(=O)CC1OS(N)(=O)=O,1,GDB ChEMBL
39694,C#CCCC(NCC(=O)CCC(C)(C)C)=[NH+]C,0,GDB ChEMBL
311052,CCC(C(=O)CN(C)C)C(C=O)CC(C)=O,1,GDB ChEMBL
310136,CCCC(C)c1cc(C(C)CO)c(C)cc1Br,1,GDB ChEMBL
363273,CC(O)C(C)OCC1(C)CC(=O)CC[NH2+]1,0,GDB ChEMBL
366503,CNc1cc(Nc2ncnc(O)n2)ccc1I,1,GDB ChEMBL
205961,COC(=O)C1C(C[NH3+])C1COS(N)(=O)=O,0,GDB ChEMBL
275511,CCC(C)C1=CC(=O)CC1,1,GDB ChEMBL
126883,CC(=O)C1NC(=O)C2NCC(O)C(=O)C12,0,GDB ChEMBL
823,C#Cc1oc(C)cc1CCC,1,GDB ChEMBL
310779,C#Cc1ccc(CCC)c(CCC[NH+](C)C)c1,0,GDB ChEMBL
357643,CCc1cccc2c1CCC(CC)CC2(C)C,1,GDB ChEMBL
20132,COC(=O)Cc1cc(=O)onc1N,0,GDB ChEMBL
202466,CCC1(C(C)C)CC(C)C=CC(C)C1,0,GDB ChEMBL
284852,CCOC1CC2CC(O)C1C2CC,0,GDB ChEMBL
360868,CC1CCC=CC1CC(C)(C)C,1,GDB ChEMBL
31807,COC1CC2C(O)(CNS2(=O)=O)C1O,0,GDB ChEMBL
345417,CC(C)=CC1Cc2cc[nH]c2C[NH2+]1,0,GDB ChEMBL
393522,CCC([NH3+])CC(O)C1(C)C(O)CC[NH+]1C,0,GDB ChEMBL
374317,C#CC1(CCC(O)CCC)CC1,1,GDB ChEMBL
334083,C[NH2+]C1(CC(C)C)C=CCCCCCC1,0,GDB ChEMBL
227630,CC([NH3+])C1OC(=O)C=CCC1C1CC1C,0,GDB ChEMBL
58982,CC(O)(CC1=CC(=O)NC1)C(=O)CO,0,GDB ChEMBL
397045,C#CC(=O)NC1CC[NH+](C)C(CO)(CC=O)C1,0,GDB ChEMBL
18883,C#CC1[NH2+]CC1CCC,0,GDB ChEMBL
228838,N#CS(=O)(=O)[N-]C(=N)OC(CO)CC[NH3+],0,GDB ChEMBL
131613,O=C([O-])CC1CC2CS(=O)(=O)N3C1C23,0,GDB ChEMBL
200722,C#CC1C(C(CO)C(N)=[NH2+])N1C(=O)NC,0,GDB ChEMBL
77280,CC[NH2+]CCc1ncnc2c1CC1CCC21,0,GDB ChEMBL
383003,CN1C(=O)NC(C(N)=[NH2+])C1CO,0,GDB ChEMBL
376673,CCCC(O)C1(CO)C[NH2+]CC(C)C(C)OC1,0,GDB ChEMBL
314143,COCC1=CC(C)COC(=O)C1,1,GDB ChEMBL
181569,CC[NH2+]C1CCCN(CCC(F)(F)F)C1(C)C,0,GDB ChEMBL
127681,Cc1csc(C#CCC2CC2)c1,1,GDB ChEMBL
263821,COCC(C)(C)OCC1=CCC([NH3+])CC1,0,GDB ChEMBL
280994,C#CC(C#C)CCC1(O)CCC(CCC)CC1,0,GDB ChEMBL
176396,C#CC([NH3+])C#CC(C)C[NH+](C)CCO,0,GDB ChEMBL
7829,CCCC(C1CC1CCC[NH3+])C(C)(C)C,0,GDB ChEMBL
120389,COC1CC2=CC1C=C(C)CC(O)C2,0,GDB ChEMBL
149316,CC(=O)Nc1nc(S(=O)(=O)[O-])ccc1C#N,1,GDB ChEMBL
316464,COC1C(C(=O)[O-])CN2CC12,0,GDB ChEMBL
45690,CCc1c[nH]c2cc(C=O)c3c(c12)CCC3,1,GDB ChEMBL
389660,CC1=CC2OCC3C(C)CCC1(C)C23,0,GDB ChEMBL
274022,CCC1=CC2CC[NH+](CC2)C1,0,GDB ChEMBL
358247,CS(=O)(=O)C(=N)OCC(CO)CC(=O)[O-],1,GDB ChEMBL
259464,COC(=O)C1CC=CC(O)CN1C(N)=O,1,GDB ChEMBL
20747,NC1CC(C(=O)[O-])OCCCOC1=O,0,GDB ChEMBL
26040,COCCC1(C[NH3+])C[NH+]=CN1,0,GDB ChEMBL
61653,CCCC1=CC(C(C)(C)C)CC=CC1,0,GDB ChEMBL
292224,CCCCC12C=CCC(C1)C(C)C2,0,GDB ChEMBL
22853,N#CC1(CCO)CCC(O)C1,1,GDB ChEMBL
51016,[NH3+]Cc1cnn2c1C(NC(=O)CO)C2CO,0,GDB ChEMBL
338644,N#Cc1nc2c(cc1O)C([NH3+])C(O)CCCN2,0,GDB ChEMBL
366724,CCn1c(C)cc(C=O)c1C(F)(F)F,1,GDB ChEMBL
170141,CC1Cc2c(N)c3c(F)cccc3n2C1,1,GDB ChEMBL
297052,O=CC1CC2C[NH2+]C1C2CO,0,GDB ChEMBL
6510,C#CCC1C(CC)CC2CCC(C)CC1[NH2+]C2,0,GDB ChEMBL
27021,CC#CCC1C[NH2+]CC12COC2,0,GDB ChEMBL
102320,CCCCC1(C(C)(C)O)CC1C,1,GDB ChEMBL
165626,CCC(C#N)CCCCCO,1,GDB ChEMBL
358233,CCC(CC)C1=CCCCCC(C)C1,1,GDB ChEMBL
265255,COC1(C)CC=CC#CC=CC[NH+](C)C1,0,GDB ChEMBL
112353,NCC(N)(C(N)=O)C(=O)N1CCC([NH3+])C1,0,GDB ChEMBL
280671,NCC(C[NH3+])(NC(N)=[NH2+])C(=O)[O-],0,GDB ChEMBL
97765,CCC(OC)C1C[NH2+]CC(O)C1C,0,GDB ChEMBL
125552,C=Cc1cc(C[NH+](C)C)ccc1Br,0,GDB ChEMBL
227952,[NH3+]C1CC2CNS(=O)(=O)C1C(=O)O2,0,GDB ChEMBL
304126,CCc1c(C(C)C)cc(F)c(F)c1C,1,GDB ChEMBL
396125,CNC(=[NH2+])CC(C[NH3+])C(C#N)NS(C)(=O)=O,0,GDB ChEMBL
368512,CC1OC(CO)CC2CCCC21,1,GDB ChEMBL
338515,C[NH2+]C1C(C)NC2C(O)C(=O)NC21,0,GDB ChEMBL
320468,CC1(C[NH3+])CC2CC(O)(C2)C(CO)C1,0,GDB ChEMBL
112749,CCC#CCC[NH2+]CCC1COC1,0,GDB ChEMBL
211151,[NH3+]C1C(O)C1OCCCO,0,GDB ChEMBL
382562,Cc1nc(N)ncc1C1(CC(C)C)CCC1,0,GDB ChEMBL
378301,COCC1(N)CC(N)CNC1=[NH2+],0,GDB ChEMBL
196701,COC1(CO)CC([NH2+]CC(C)(C)C(C)[NH3+])C1,0,GDB ChEMBL
27006,CC1(C)CC2C[NH2+]C(C2)C1O,0,GDB ChEMBL
348590,N#CC1(C(NC(N)=O)C(N)=O)COC1=N,0,GDB ChEMBL
302644,C[NH2+]C1C(O)CC1(C)COC,0,GDB ChEMBL
202045,C[NH2+]CC1OC1(C)c1cc(C)cc(=O)[nH]1,0,GDB ChEMBL
351192,CCOc1oc(C)c(OC)c1CN1CCC1,0,GDB ChEMBL
199038,CCc1ccnc(CCO)c1CC(F)(F)F,1,GDB ChEMBL
317758,CCC(O)C([NH3+])Cc1ccn2c1OC(=N)CC2,0,GDB ChEMBL
124821,CCC1C=CCC(CC)[NH2+]CC[NH+](C)C1,0,GDB ChEMBL
135835,CC1CC(=O)NC2(CO)C(O)C([NH3+])C(O)C2O1,0,GDB ChEMBL
120532,[NH3+]C(CCO)C1(c2ccccc2F)CC1[NH3+],0,GDB ChEMBL
6067,CC=CCC(C)C(CC)C(C)=CC,0,GDB ChEMBL
398765,C#CC1Cc2cc(O)nc(C[NH2+]C)c2C(C)C1,0,GDB ChEMBL
271541,Cn1ncc(O)c1C(O)C(=O)[O-],1,GDB ChEMBL
118358,COC(C)C(=N[O-])c1cccc(I)c1,0,GDB ChEMBL
29605,CCC(C(=O)[O-])C1(S(N)(=O)=O)CN1,0,GDB ChEMBL
60664,CC1CC1C[NH+]1CCC2CC2C1,0,GDB ChEMBL
222118,C#Cc1cc(C)cc(C[NH+](CC)CC)c1,0,GDB ChEMBL
304318,C#CC(CC(C)C)c1ccc(C)cc1C(C)C,1,GDB ChEMBL
23951,NC(=O)N1CC(C#CC#CCCO)=CC1=O,1,GDB ChEMBL
175852,COCC[NH2+]CC(O)C(N)=[NH2+],0,GDB ChEMBL
189768,CC(CC(F)(F)F)C1C2CCCCC21,1,GDB ChEMBL
20476,COC1CCNc2c[nH]nc21,1,GDB ChEMBL
12767,CCCCC(O)CC(C)[NH2+]C,0,GDB ChEMBL
383317,CCCC1CCCC1CC(C)C(C)OCC[NH3+],0,GDB ChEMBL
62023,CC(C)c1ccc2c(c1O)C(C)CC2,1,GDB ChEMBL
24257,COCC1OCC1C(N)=O,1,GDB ChEMBL
378897,CCC1C2CC=CCCC(C)CCC12,0,GDB ChEMBL
296383,COC1COCOCC2(O)CN(C(C)=O)CC12,0,GDB ChEMBL
216591,CCOC1CC(C)CC2(C)CC=CC1C2,0,GDB ChEMBL
148804,C#CC(=O)NC(C)(CO)CCC,1,GDB ChEMBL
325742,CC1CCCC2CC1C(C)(C#N)C2(C[NH3+])CO,0,GDB ChEMBL
34992,CCCC1(C)CNC(=[NH+]CC)C1CC(C)C,0,GDB ChEMBL
190306,CCc1[nH+]cc(NCC[NH3+])n1C(C)(C)CCO,0,GDB ChEMBL
368402,CC[NH+](CC#CC1(C)CC(C#N)C1)C(C)C,0,GDB ChEMBL
252601,C#CC1=CC=CC(C(C)CC)[NH2+]CC1,0,GDB ChEMBL
275520,COC(=O)NCc1cncc(=N)[nH]1,1,GDB ChEMBL
9704,CC1CC(C2CC(O)CC2O)NC1=O,0,GDB ChEMBL
300011,C1#CC(CC2CC2)C2CCC(CC2)[NH2+]CC1,0,GDB ChEMBL
302309,CC1(O)C2NS(=O)(=O)C1C2C([NH3+])C(=O)[O-],0,GDB ChEMBL
1943,CC(CCO)C1(O)C(O)COC1C(N)=O,0,GDB ChEMBL
50112,C#CCCC1(C)C2CCCC(C2)C1C(F)(F)F,0,GDB ChEMBL
225860,CCCC(CCC(C)C)NC=[NH+]CC,0,GDB ChEMBL
396118,Cc1cc(NC(=O)C2CC2)oc1N,1,GDB ChEMBL
151821,CC1CC(=O)C2C(C)C(O)CC12,1,GDB ChEMBL
180956,CC1C(O)C1(CC#N)Cc1cncs1,0,GDB ChEMBL
395601,CC1CCNC(=O)C(C#N)NC1(C)C[NH3+],0,GDB ChEMBL
386661,C#CCCCC1NC(=O)C2CC1(C)CCC2C,0,GDB ChEMBL
243727,N=C(N)N(C=O)C(=O)CC(F)(F)F,1,GDB ChEMBL
165270,CC[NH2+]CC1CCCC[NH+]=CN1,0,GDB ChEMBL
318098,CCNC(=O)Nc1oc(N)nc1CC,1,GDB ChEMBL
80469,CC1=CC(OS(N)(=O)=O)C([NH3+])C1,0,GDB ChEMBL
375874,CC[NH+]=C1CC(=O)COCC(CO)N1,0,GDB ChEMBL
139787,CC1CC2C[NH+]1C1CCCCC21,0,GDB ChEMBL
318038,Fc1c(N2CC[NH2+]CC2)ccc2ncnn12,0,GDB ChEMBL
62817,O=CCC1=[NH+]CC(C(=O)[O-])N1,1,GDB ChEMBL
318772,CNC12COC1C([NH3+])C(O)C2NS(C)(=O)=O,0,GDB ChEMBL
88158,C#CC1CCOC(C)C(CC)CC1(C)C,0,GDB ChEMBL
365729,C[NH+](C)CCC1=NCCO1,1,GDB ChEMBL
34441,Cc1cc(Cl)cc2c1C(C)(C)CC(C)(C)CC2,1,GDB ChEMBL
249572,CNc1c(O)ccnc(=O)c1CC#N,0,GDB ChEMBL
270992,CCC(C)CC1(C[NH3+])COC(CC(C)O)C1,0,GDB ChEMBL
292298,CCOC(C)C(=O)C(C#N)=N[O-],0,GDB ChEMBL
61884,CNc1nc2c(c(N)c1C#N)C1CC1C2O,0,GDB ChEMBL
28372,CCC1CC2C(O)CC(=O)[N-]S(=O)(=O)C2O1,0,GDB ChEMBL
249460,CC#Cc1ccoc(C)c(O)ccc1C,0,GDB ChEMBL
204138,CC(C)CC1CCC([NH3+])C(C)C(C)C1C,0,GDB ChEMBL
101047,CC1CCC(COC(C)C2CC2)C1,1,GDB ChEMBL
137414,CNS(=O)(=O)c1c([O-])cc(=O)oc1N,0,GDB ChEMBL
345514,Cc1ncoccc2c(N)nc(Cl)cc2n1,0,GDB ChEMBL
383063,CCCC1C(C(C)C)C=C(C)CC1(C)CC,0,GDB ChEMBL
23466,CNC(C)=[NH+]CC(C)C([NH3+])CO,0,GDB ChEMBL
391773,CC([NH2+]CCC(F)(F)F)c1cnc(I)c(N)c1,0,GDB ChEMBL
374010,CC1C2C[NH2+]CCC(C2)C1[NH3+],0,GDB ChEMBL
262335,CCC(O)C1[NH+]=C(NC)C(CO)CC1CO,0,GDB ChEMBL
126833,CC(=O)C1CC(=O)C(O)C(O)C(C(C)C)CN1,0,GDB ChEMBL
93123,COCC12CC([NH3+])C(CCO)CC1O2,0,GDB ChEMBL
93415,C#CCc1c(Cl)c(Cl)c(NC)c(CCC)c1Cl,1,GDB ChEMBL
201083,CCC1(C)CC(c2ccc(C)c(F)c2)C1,1,GDB ChEMBL
50257,C#CC(C)c1cc(C)ccc1Br,1,GDB ChEMBL
121462,CC(C)(O)c1cccc(Cl)c1,1,GDB ChEMBL
27026,C#CC1(C)CCC2CC(C)OCC2N1CC#N,0,GDB ChEMBL
349949,CC1(C[NH3+])C=CCCC(=O)NC1,0,GDB ChEMBL
277430,O=C([O-])C12CS(=O)(=O)NCC(O)C1O2,0,GDB ChEMBL
24236,CCC1CCCC2(C)CC(C)CCC(C)(C)C12,0,GDB ChEMBL
20084,C[NH2+]C1CC1OCC(=O)[O-],0,GDB ChEMBL
298203,CCC(C)C1C2C=CC1OCC2,0,GDB ChEMBL
341350,CC1OC(=O)CC1(CO)NC(C=O)CCCO,0,GDB ChEMBL
341184,CC1C[NH2+]C(C)C1C(C)(CO)CC#CCO,0,GDB ChEMBL
209495,CC(Cc1cscn1)=NO,1,GDB ChEMBL
59609,NC12C(=O)OCCC(O)C3NS(=O)(=O)C1C32,0,GDB ChEMBL
71440,COC(=O)C12C=CC(COC1C)C(O)C2[NH3+],0,GDB ChEMBL
51075,C[NH2+]CCCC(CC(O)CC[NH3+])OC=O,0,GDB ChEMBL
370302,CCC(O)C12CC[NH2+]CC1C2,1,GDB ChEMBL
115991,CCCC(NCCOC)=[NH+]CC(C)CC,0,GDB ChEMBL
354833,CC([NH3+])C(C)C(CC(O)CO)C1COCCO1,0,GDB ChEMBL
87487,CCC1CCC2(C)C(C)CCC1C2C1CC1,0,GDB ChEMBL
127170,NC(=O)C([NH3+])C(O)C1CCNC1=O,0,GDB ChEMBL
318032,CNC1C(=O)OCC2C[NH2+]C(C)C21C(N)=O,0,GDB ChEMBL
273853,CC#CC1(C)CC(S(=O)(=O)NCC(C)OC)C1,0,GDB ChEMBL
96088,CCC(CCO)n1ccc(=O)nc1C([NH3+])CO,0,GDB ChEMBL
298068,C#CC=CCCCC(CC=O)[NH2+]C,0,GDB ChEMBL
143828,CN=C(C[NH2+]C(C)(C)C)OCC1(O)CC1,0,GDB ChEMBL
136717,C#CCC1C(=O)CCCCCC1CC(C)CC,0,GDB ChEMBL
97073,C=C1CC(O)C1NC(=O)CC(=O)[O-],0,GDB ChEMBL
107043,Cc1ccsc(C)c(O)nc(N2CCC2)c1,0,GDB ChEMBL
363226,CC1CCc2nc(cs2)COC(=O)C1,1,GDB ChEMBL
20517,Cc1cn2nccc2nc1N,1,GDB ChEMBL
333641,CCC(C)CC1CCCCC1(O)CC(C)C,1,GDB ChEMBL
165945,CNC1C(=NO)C2C(C(N)=O)[NH2+]C1C2O,0,GDB ChEMBL
236724,CCC(Oc1c[nH]cn1)C(=O)[O-],1,GDB ChEMBL
33334,C[NH2+]C1(C(=O)[O-])COC(C)(OCC(N)=O)C1O,0,GDB ChEMBL
277816,CCCC1OC(=O)C2C([NH3+])C1C2(O)C(N)=O,0,GDB ChEMBL
203207,C[NH2+]C1C(C)C(C)(COC)C1C[NH3+],0,GDB ChEMBL
183457,C#CCN1C=CCC=CC1=O,1,GDB ChEMBL
97742,CC(O)CC1CC(=[NH2+])N(CC=O)C1CO,0,GDB ChEMBL
358146,CCn1nc(NC(=O)N(C)C)ccc1=O,1,GDB ChEMBL
136516,C#Cc1c[nH]c(C)c1COC,1,GDB ChEMBL
368514,COC12C(O)C1C(=O)NC2C(O)CO,0,GDB ChEMBL
259339,NC1CC(=O)NCC2(CO2)CC1[NH3+],0,GDB ChEMBL
292551,C#Cc1ccc(F)cc1C1=CC2CC1C2,1,GDB ChEMBL
308301,CCCC1C(CC)C12CCOC2,0,GDB ChEMBL
25230,N#CC1(C(=O)[O-])CNC=C(C(N)=O)C1O,0,GDB ChEMBL
300191,CC1C2C(C=NO)N2CC(CC(=O)[O-])[NH+]1C,0,GDB ChEMBL
284830,C1CCC23C4CC[NH2+]CC4CC2C3C1,0,GDB ChEMBL
330894,CCC1CC2C(CC)C3CCCC3C2CC1C,0,GDB ChEMBL
140170,CCC(C)C1[NH2+]C2(C)CC(C)CC1C2,0,GDB ChEMBL
362845,COCC1=CCCc2[nH]ncc2C1,1,GDB ChEMBL
173681,CC1CC2OC1C1CC(=O)NC21,0,GDB ChEMBL
361015,COC(CCNS(=O)(=O)C#N)C(=O)[O-],0,GDB ChEMBL
115727,C#CCC(=O)NC1=NC(C(C)=O)C(CCO)N1,0,GDB ChEMBL
225070,CN1CC2CC2(C)[NH2+]CC1=O,0,GDB ChEMBL
336612,C[NH2+]C1CC(=O)NC(N)=NC1CCOC,0,GDB ChEMBL
146056,CCC(N)=[NH+]CCOC(C)CO,0,GDB ChEMBL
81017,CS(=O)(=O)C1=NCCCN1CCCO,1,GDB ChEMBL
80335,CC1CC=CCC12CC1CC[NH+](CC1)C2C,0,GDB ChEMBL
336617,C#Cc1cc(C)c(Cl)cn1,1,GDB ChEMBL
93128,CCCCCCC12CCC(CC(C)C1)C2,0,GDB ChEMBL
272584,CCC1CC(C)C2(CC)CC[NH+](CC1CC)C2,0,GDB ChEMBL
184302,Nc1nc(N2CC2)cc(CC2CC2)[nH+]1,0,GDB ChEMBL
273654,NC(=O)NC1CCNC(=[NH2+])N(CCOC=O)C1,0,GDB ChEMBL
280780,CCCCC1CC(CC(C)(C)CC(C)C)C1,1,GDB ChEMBL
127935,N=C(N)N1C(=O)OCC(O)C1C1CN1,0,GDB ChEMBL
300551,CCC1Nc2cc(C)oc2CC(C[NH3+])OC1=O,0,GDB ChEMBL
319372,CC[NH2+]C1CC1(C)C=O,0,GDB ChEMBL
152046,N#CC(CO)(CO)c1cccc(N)nc[nH]c1,0,GDB ChEMBL
183437,CC1CC2CCC(C1)C(C)(C(C)C)OCC[NH2+]2,0,GDB ChEMBL
130482,COC1CCC(=[NH2+])NCC(=O)O1,0,GDB ChEMBL
175551,CC([NH3+])COC(=O)N(C)C,1,GDB ChEMBL
209659,CC(C)C1CCC2C(C(C)O)N12,0,GDB ChEMBL
208326,CC(O)C1[NH2+]CCOC1(C(=O)[O-])C(N)C(N)=O,0,GDB ChEMBL
383085,C#CC1(CC[NH+]2CC=CC2)C(CC)C1C[NH3+],0,GDB ChEMBL
212576,C#CC1C(O)C([NH3+])CC2C(C)C[NH2+]C12,0,GDB ChEMBL
126986,CC1OC(=O)c2cc(OC(N)=O)cnc21,1,GDB ChEMBL
271824,CC1C=CC(C#N)N2CC(O)CC(C)(C)C12,0,GDB ChEMBL
274663,Nc1c(Cl)nn2c(CCCO)ccc2c1Cl,0,GDB ChEMBL
155112,CNS(=O)(=O)CC(C#N)C(N)CO,1,GDB ChEMBL
277594,CCC1C(C(C)=O)Nc2cc(Br)ncc2C1C,0,GDB ChEMBL
352653,CCC1(C)C=CC(C)(C(N)=O)CC(=O)N1C,0,GDB ChEMBL
338599,C#CC1CC[NH+]2CC[NH2+]C1CC2CCCO,0,GDB ChEMBL
44977,CCC1[NH2+]C(CN(C)C(=O)C(C)(C)[NH3+])C1N,0,GDB ChEMBL
92309,CC12OC1C(=O)C(CO)C2C#N,0,GDB ChEMBL
102335,CCN(C(=O)NC)c1cn(C2CC2)nc1N,1,GDB ChEMBL
141975,NC(=O)Cc1cc(=O)cc([O-])cc1[N+](=O)[O-],0,GDB ChEMBL
358478,CCc1c(C)cc(C)c2c1CCCN2,1,GDB ChEMBL
394246,CCCC1C(O)CC(=O)C2NC21,0,GDB ChEMBL
179490,CCC1CC(C)CC2NC(C)C[NH+]1CC2C#N,0,GDB ChEMBL
38729,CCC1=NC(CO)C(=Nc2ncccc2N)N1,0,GDB ChEMBL
78677,CCC1CC(C)CC1C=CCCO,1,GDB ChEMBL
397026,CC(C)CC1C=CC(C)(C)[NH2+]1,0,GDB ChEMBL
119259,CCNC(=O)C#CC(N=C(N)CO)C(=O)[O-],0,GDB ChEMBL
394347,C#CCCC1C[NH+]=C(COC)N1,0,GDB ChEMBL
274099,C[NH+]1CCC1C1(N)C(O)C1C(N)=O,0,GDB ChEMBL
352643,C#CC12C(C)CC(C)[NH+]1CCOC(C)C2CC,0,GDB ChEMBL
362686,CCCC(C)CC1(C(C)CC)OCC1O,1,GDB ChEMBL
94679,CCC(CCO)C(O)CC1(C)C([NH3+])C1O,0,GDB ChEMBL
308678,CC(C)N(C)C1=[NH+]CCO1,0,GDB ChEMBL
147442,C[NH2+]CCNC(=O)NCCC[NH+]=CN,0,GDB ChEMBL
300258,CCC1C2CC(C)C(C[NH3+])NC(C#N)(C2)C1O,0,GDB ChEMBL
127512,CCC1N(C)S(=O)(=O)CC1(CO)[NH2+]C,0,GDB ChEMBL
179276,COC1(C(=O)[O-])C(C#N)C1C(C)NC(N)=[NH2+],0,GDB ChEMBL
209464,COC(=O)NC(C(O)C[NH3+])C1CO1,0,GDB ChEMBL
99840,C=CC1NCC([NH3+])C(O)CC1(C)O,0,GDB ChEMBL
366566,N=C1NC(C2(N)CC2O)C(=O)NCCO1,0,GDB ChEMBL
104653,CNC1(C[NH2+]C)CN(C)CCNC(=O)NC1=O,0,GDB ChEMBL
310327,CCCC1CC2CCOC1O2,1,GDB ChEMBL
383310,CCC(C#CC[NH2+]CCC[NH2+]C)=NO,0,GDB ChEMBL
310320,CN(C=O)CC(O)C(O)C1CNC(=[NH2+])N1,0,GDB ChEMBL
4986,COC(C)(C)C1CCC=C1C,1,GDB ChEMBL
358888,CC(=NO)C1=CCOCCCCC1,1,GDB ChEMBL
259627,O=C([O-])CC1CC(CO)O1,1,GDB ChEMBL
356522,CC(O)C(C)(C)CC1CCCC1,1,GDB ChEMBL
394303,CN=COc1ccc(C)c(S(N)(=O)=O)c1Cl,1,GDB ChEMBL
86705,CCCCC#CC1C2CCC([NH3+])C12,0,GDB ChEMBL
103869,CC(O)C1CC(C)(C)C([NH3+])C(C)C1CC[NH3+],0,GDB ChEMBL
378893,CC(O)C1OC(=O)C2CC1OCC2=O,1,GDB ChEMBL
140869,C#Cc1c(OC)ccc2nc(Br)cc(C#N)c12,1,GDB ChEMBL
104670,C#Cc1ccc(C)c(C2CC2C)c1Br,1,GDB ChEMBL
289969,NC(=O)OC1C([NH3+])C2OC(CO)C1O2,0,GDB ChEMBL
299593,C#CC1C(CCO)CCOCC2CC1[NH+](C)C2,0,GDB ChEMBL
372584,CC1C[NH2+]C(C(N)CO)CCC(C)(C)C([NH3+])C1,0,GDB ChEMBL
53849,Cn1cc(C(N)=O)nc([O-])c1=O,1,GDB ChEMBL
70959,CNC(=O)C(CO)CC(C)[NH2+]CC=O,0,GDB ChEMBL
48057,CN=CN(C=O)CCC([NH3+])C(O)C(N)C(N)=O,0,GDB ChEMBL
271572,CCN1CC1C1CC1C(N)=O,1,GDB ChEMBL
163428,COC(=N)Nc1nc(N)cc(CC(=O)[O-])n1,1,GDB ChEMBL
156218,CC(C)(O)CCC1=NCCO1,1,GDB ChEMBL
169434,Cc1cc(N)cc(Cl)c1C[NH+](C)CCC(=O)[O-],1,GDB ChEMBL
262353,CC1CCC#CCC(N)=[NH+]CC[NH2+]C1,0,GDB ChEMBL
33165,CC[NH2+]C1CC(=O)C2OC2(C(=O)[O-])C1O,0,GDB ChEMBL
47346,CCCC1CC2CC(C)C(C1)C(C)(C)C2,0,GDB ChEMBL
318006,CCC1C=C(C)C(C)CCC=CCC1,0,GDB ChEMBL
63092,C#CC(C=O)(CC(C)C)C1C[NH+](C)CC1O,0,GDB ChEMBL
281846,CC1CC[NH+]2CCC(C)(CC(=O)C1)CC2C,0,GDB ChEMBL
33108,CCCC1CC(=O)CC(C)(C)CC1CC,0,GDB ChEMBL
362581,CC(=O)N1C(C)CC2CC1C1CN1C2,0,GDB ChEMBL
386665,CC1[NH2+]CCCC2C=CCC2C1C,0,GDB ChEMBL
110186,CNC(=[NH2+])OC(CC[NH3+])C(=O)[O-],0,GDB ChEMBL
338348,Cn1nnc(NC(=O)NC2COC2)n1,1,GDB ChEMBL
263242,CCC1(C[NH2+]CC2CC2)C[NH2+]C1,0,GDB ChEMBL
28236,CC(=O)C1C(N)=[NH+]CC(NC(N)=O)C1(C)O,0,GDB ChEMBL
203192,C=C1C[NH2+]C(C(O)C(C)CC)C1N,0,GDB ChEMBL
134479,[NH3+]CC1CC2(COC2)C(O)CN1,0,GDB ChEMBL
21904,NS(=O)(=O)C1CN(C(=O)CO)CCCCO1,0,GDB ChEMBL
232081,CC(=O)NC(=N)C#CCC(C#N)C(N)C[NH3+],0,GDB ChEMBL
108141,CC1OC(=O)CC2C1C1CC1[NH+]2C,0,GDB ChEMBL
261179,C#CC12CC(C(CC)[NH2+]1)N(CCC1CC1)C2,0,GDB ChEMBL
217711,C[NH2+]CC#CCC1C[NH+](C)C1,0,GDB ChEMBL
150131,C#CC1CCCC(C)(O)C(C(O)CNC=O)[NH2+]1,0,GDB ChEMBL
4841,CC(O)C(=O)N1CCCC1=O,1,GDB ChEMBL
203544,C=C1CC2CCCC(C)OC2C1O,0,GDB ChEMBL
277432,Cc1cc(=O)[nH]c2c(O)nc(Br)cc12,1,GDB ChEMBL
151726,NS(=O)(=O)CC1(O)CC2[NH2+]C(CO)C1C2O,0,GDB ChEMBL
372761,CC1N=C(NC=O)OCCN(C)C1=O,1,GDB ChEMBL
227555,Cc1ccnccnccn1,0,GDB ChEMBL
31093,CC1CC2CC[NH+](C)C2CC2C1C2(C)C,0,GDB ChEMBL
385930,CC1([NH3+])CNC(=O)OC1CS(N)(=O)=O,0,GDB ChEMBL
289229,N#CC(C(=O)[O-])C(O)C1CC1[NH3+],0,GDB ChEMBL
85020,CC(C)C[NH2+]CC1C(C#N)N(C)S1(=O)=O,0,GDB ChEMBL
274184,C#CC1CC(C(C)O)CCC1(C)O,1,GDB ChEMBL
351333,Cc1ccc2c(C)c(C)cc(Br)c2c1,1,GDB ChEMBL
292214,CC[NH+](C)CCC1C2CC1O2,0,GDB ChEMBL
289795,CCCCC1CC2CC1C1CC1(CC)[NH+]2C,0,GDB ChEMBL
397085,CCc1cnc(NC(C)=N)c(=O)n1C,1,GDB ChEMBL
194399,C[NH2+]C1C=CC2CC(C)CC2C1,0,GDB ChEMBL
338089,CC1=CC(C)C[NH2+]C2CC(=O)C1C2O,0,GDB ChEMBL
155074,N=C1NC(=O)C=C(N)C(CCCO)N1,0,GDB ChEMBL
99570,Cc1oc(=O)cc(N)c1C,1,GDB ChEMBL
27971,CCC1(C(C)CC2CC2)CC(C)C(O)C1,0,GDB ChEMBL
361602,CCNc1nc(N)c(=O)c([O-])c[nH+]1,0,GDB ChEMBL
368510,CNc1cnn(C)c(=O)c1[NH+]=C(N)N,0,GDB ChEMBL
309809,Cc1cc2cc(N)nnc2c(F)c1C#N,1,GDB ChEMBL
9884,CCC1C=CC2(CO1)C[NH+](C1CCOC1)C2,0,GDB ChEMBL
134764,CS(=O)(=O)NC1C(C(N)=O)C(=O)C2OC21,0,GDB ChEMBL
29926,COC1CC(=[NH2+])N2C(CO)CC(O)C12,0,GDB ChEMBL
305813,NC(=[NH2+])NC(C[NH2+]CC(=O)[O-])C(=O)[O-],0,GDB ChEMBL
210152,[NH3+]CC12CC(=O)NC1CO2,0,GDB ChEMBL
143192,CCn1nc(OC)c(=O)nc1N,1,GDB ChEMBL
294423,CCC1COC2CCCC3C(C)CC1(CO)C23,0,GDB ChEMBL
333910,CCOC(=O)C(N)CC(CC)C1(C)CCOC1,0,GDB ChEMBL
79340,CCCCN1CCCC1=O,1,GDB ChEMBL
36213,O=C([O-])CNc1nccc2c(=O)cnsc12,0,GDB ChEMBL
273655,CCC([NH3+])C(O)C(COc1cocn1)C(=O)[O-],0,GDB ChEMBL
71480,CCC1C=C(C(O)C[NH3+])C(CC(C)(C)C)C1,0,GDB ChEMBL
109580,CC1(C)COCC1(CC#N)C(C#N)C(=O)[O-],0,GDB ChEMBL
234881,Nc1ccc(F)c(O)c1NC=O,1,GDB ChEMBL
141775,O=C([O-])CC1[NH2+]CCC(O)C2C(O)C12,0,GDB ChEMBL
120387,CC(C#N)NC1=[NH+]CC(C)N1,0,GDB ChEMBL
168395,CCC1=CC(C)C2CCCC(C)C12,0,GDB ChEMBL
391334,COCS(=O)(=O)NC(C[NH3+])CC(=O)[O-],1,GDB ChEMBL
53867,CC1C(=O)NCC1([NH3+])C(=O)[O-],0,GDB ChEMBL
26865,CC(O)CC[NH2+]C(C)(C)C1CCOCC1,0,GDB ChEMBL
204562,NC(=O)N1CCCNC2C(O)C21CO,0,GDB ChEMBL
104393,C#CC12CCC([NH+](C)C)C(CCCC1CC)C2,0,GDB ChEMBL
119901,CC1C(O)(C(=O)[O-])CC2N(C(N)=O)C21CO,0,GDB ChEMBL
382529,CCC1(C)CC2C[NH2+]C1CCC(C)C2C,0,GDB ChEMBL
89704,C#CC1=CCCC2CC(C1)NC(=O)N2,0,GDB ChEMBL
104725,Cc1ccc(C)n1C(=[NH2+])OC(C[NH3+])CCC#N,0,GDB ChEMBL
344382,COC1CN(C(N)=O)C1C,1,GDB ChEMBL
203637,CNC(=O)C12C(OC)CC(O)C1C2(C)C,0,GDB ChEMBL
215869,C=CC(O)C1CN1C1CC1CCC,0,GDB ChEMBL
201667,C[NH2+]C1CNC(C(N)=[NH2+])CC(C)(C)C1OC,0,GDB ChEMBL
155188,CCC(CC(C[NH3+])C(N)=[NH+]C)NC=O,0,GDB ChEMBL
117328,Cc1cc(CCC2CC2C)c(C)cc1I,1,GDB ChEMBL
319302,CS(=O)(=O)C1C2C[NH2+]C1C(O)C2C(N)=O,0,GDB ChEMBL
290017,[NH3+]CC1Cc2cc(Cl)c3[nH]cnc3c2O1,0,GDB ChEMBL
330336,CC1CC2CCC(C)C([NH3+])C2(C)C1,0,GDB ChEMBL
89131,CCCC1C2(C)OC(=O)C(CCO)C12C,0,GDB ChEMBL
193278,C#CC1NCC([NH3+])C1O,0,GDB ChEMBL
203128,CC(O)(CCNC(=O)CO)C1=NC(C#N)CN1,1,GDB ChEMBL
79541,CC1CC=CCC(C([NH3+])C(C)(C)C)CC1,0,GDB ChEMBL
34363,CCCC(C)CC1(C)CCC2CCC1C(C)C2,0,GDB ChEMBL
299992,CCc1nc(Br)cnc1C1CC1,1,GDB ChEMBL
60682,CCOCC(C)C(C)C(N)=O,1,GDB ChEMBL
21893,C#CC(C)CCC(C)CCC,1,GDB ChEMBL
324003,C#CCC(CN1C(=O)CC1C)OC,1,GDB ChEMBL
259545,C[NH2+]C(CC([NH3+])C1OC1C(N)=O)C(N)=O,0,GDB ChEMBL
67859,COC12CC([NH3+])CC1C2(C)C,0,GDB ChEMBL
331733,CCC([NH3+])C(C)c1cc(C)cc(C)c1Cl,0,GDB ChEMBL
20115,C[NH2+]CC12CC(CC1OC)C2C,0,GDB ChEMBL
170279,N#CC1CC([NH3+])CC(O)CC(C(=O)[O-])N1,0,GDB ChEMBL
119236,NC(N)=[NH+]C1(Cn2cnnn2)CCCC1,0,GDB ChEMBL
184533,C[NH2+]CCC1CC(O)C(N)C(C#N)O1,0,GDB ChEMBL
332389,C[NH+]1C2CCC1CN(C(=[NH2+])COCCC=O)C2,0,GDB ChEMBL
144504,CCCCC[NH2+]C(C)(C)C1CC(C)(O)C1=O,0,GDB ChEMBL
384853,CCCC1([C-](C#N)C#N)C[NH+](CCO)CCN1,0,GDB ChEMBL
334594,C#CC1=CC=Cc2c(Cl)ccc(C)c2C1C,0,GDB ChEMBL
338852,Cc1cc(C2CC2O)nc(C)c1F,1,GDB ChEMBL
368222,CCOC1CCC2C([NH3+])C2C1OCC(N)=O,0,GDB ChEMBL
359057,CCCC(=N[O-])c1ccncc1CC#N,0,GDB ChEMBL
22833,Cc1ccc(O)n1CC(=O)[O-],1,GDB ChEMBL
243881,CCC(CC(N)=O)NCC#N,1,GDB ChEMBL
48769,CC(O)CC(=O)CCCC1CN(C=O)C=N1,1,GDB ChEMBL
306012,CCC(C(=O)[O-])(C1N=CNC1=O)C(O)C(C)[NH3+],0,GDB ChEMBL
376020,CC(C)N(C=O)CC1=CCC2(CCC2)C1,1,GDB ChEMBL
112419,O=C1NC2(CO)C[NH2+]CC(CCCC2=O)C1O,0,GDB ChEMBL
151132,NC(=O)NC1C2CC1(O)C(=O)O2,0,GDB ChEMBL
203592,CC#CC(=O)C(=O)NC,1,GDB ChEMBL
234264,COCC(=O)NC(=N)C(CCO)OC=O,1,GDB ChEMBL
165930,CCC(O)C1(N)CN(C=O)CCOC1=N,1,GDB ChEMBL
95895,CC#CC1(CC)C=CCCC1[NH2+]C,0,GDB ChEMBL
1456,C[NH2+]C(C)(C)Cc1cc(C)c2ccoc2c1,0,GDB ChEMBL
127866,CCC1CC(CC)C(CC)C2CC2C1CC,0,GDB ChEMBL
389465,C#CCCc1cc(O)nc(CO)n1,1,GDB ChEMBL
1924,NC(=O)C([NH3+])C(c1cncs1)C1CO1,0,GDB ChEMBL
141956,Cn1cc([N-]S(=O)(=O)CC(N)=O)nn1,0,GDB ChEMBL
324079,C=C1CN(c2ncccn2)C1(C)C,1,GDB ChEMBL
76443,CC(C)CC(C)C([NH3+])C(C)C(O)C1CC1,0,GDB ChEMBL
230449,CC1CC(N)C(=O)OC(CO)C2OC12,0,GDB ChEMBL
370286,CC1[NH2+]CC2OC12C(O)CCO,0,GDB ChEMBL
181594,CCCCC1(CC(C)CCC(F)(F)F)CC1,1,GDB ChEMBL
294480,CC(O)CC(CC[NH+]=CNCC(=O)[O-])=NO,0,GDB ChEMBL
375692,CC1C=CC(O)C2(CCCC2)C1C[NH3+],0,GDB ChEMBL
344345,C#CCCC(CC)(CC)C(C)(C)C[NH+](C)C,0,GDB ChEMBL
80309,Cc1nc2c(c3cccc(Cl)c13)NCC2,1,GDB ChEMBL
146926,CCOC12C[NH2+]C(C(C(N)=O)C1=O)C1CC12,0,GDB ChEMBL
208309,N#Cc1c(Cl)nc(=N)sc1C(=O)[O-],0,GDB ChEMBL
380575,CCC1C(=O)N(C)C1(C)CCC[NH3+],0,GDB ChEMBL
76982,COC(C)=NCC(CC=O)C(=O)[O-],0,GDB ChEMBL
81424,CC(C1C2CCC1CC2)C(C)(O)C[NH+](C)C,0,GDB ChEMBL
308120,NC(=O)Nc1cc(N)ccc1O,1,GDB ChEMBL
151816,C[NH2+]CC1=C2CCN(CC2)C(=O)CCCC1,0,GDB ChEMBL
290548,C#CC1=CC(O)CC2(CCCCC2)CC1,0,GDB ChEMBL
55510,COCC1C[NH2+]C2(CC2)C2(CC2)O1,0,GDB ChEMBL
302491,CCC1(C)NC(=O)CC(C)C2OC2C1[NH3+],0,GDB ChEMBL
138396,Cc1cc(CNCC#CC=O)nc(O)c1Cl,1,GDB ChEMBL
133017,[NH3+]C1CNC2CC(O)CC2(CO)C1O,0,GDB ChEMBL
59663,CC1C([NH3+])C2OC2C1[NH2+]CCCO,0,GDB ChEMBL
374206,[NH3+]C1CCNC(=O)OC1C1(O)C([NH3+])C1O,0,GDB ChEMBL
280453,[NH3+]CCc1cnc(CCO)s1,0,GDB ChEMBL
262228,O=C(OCCCO)c1[nH]c(=O)c([O-])cc1Cl,0,GDB ChEMBL
157702,CC1[NH2+]CCC2C(CO)[NH2+]CCCC1N2C,0,GDB ChEMBL
126867,CCOC(C)C1CC([NH3+])C2CC21,0,GDB ChEMBL
245822,C[NH2+]CCCc1cccc(Br)n1,0,GDB ChEMBL
394910,CCOC(=O)NCC(N)C(C)[NH3+],0,GDB ChEMBL
44318,CC1(C)OCC(=O)C1NC(N)=O,0,GDB ChEMBL
151210,CC1=CC(C)(C#N)Cc2c(N)cc(F)cc21,1,GDB ChEMBL
151119,CCCNC(=O)C1CCC=C(C)CC1,1,GDB ChEMBL
123000,CC1=C(C(C)C(C)(C)O)CC(C)(C)C1=O,0,GDB ChEMBL
131888,C#CC1=CCCC(C)C([NH3+])C1,0,GDB ChEMBL
48725,O=C1OCCOCC1O,1,GDB ChEMBL
342574,C[NH2+]C1CN(S(=O)(=O)CC(O)C(N)=O)C1,0,GDB ChEMBL
215489,CCC[NH+]1CC2C3CC2C3C1,0,GDB ChEMBL
5869,CC1CC2NC(=O)C(C[NH2+]1)C(O)C2(C)O,0,GDB ChEMBL
18377,CCC1CCC2(C)C3CC(C)CCC3=CC12,0,GDB ChEMBL
70901,C#Cc1cc2cc(Cl)cc3c2n1CC3C,1,GDB ChEMBL
94876,CS(=O)(=O)NC1C(=[NH2+])NCC1O,0,GDB ChEMBL
308175,C#CC(CCC)(C(C=O)C=O)C(CCO)OC,0,GDB ChEMBL
207287,CC(=O)CCOCCC1C=CC=CC=CC1,0,GDB ChEMBL
129821,C=C1CC=C2C[NH2+]CC(OCC)C12,0,GDB ChEMBL
99409,CCCN(CCC)C1=[NH+]CCC(C[NH2+]C)N1C,0,GDB ChEMBL
362158,CC1=CCC(C2(C)CCCC(C)C2)CC1,0,GDB ChEMBL
21999,CCCC([NH3+])CC(O)C1(CC)CC1(C)C,0,GDB ChEMBL
355402,CCC1CC=CCC2C(=O)CCC12,0,GDB ChEMBL
61769,CC12C[NH2+]CCC1C1C([NH3+])C1C2,0,GDB ChEMBL
204202,CC(OC(N)=O)C1CC(=O)C=CN1C=O,0,GDB ChEMBL
199051,CC(C)CCCC1(C2C=CCC2C)CC1,0,GDB ChEMBL
215272,COCCC1CC(C)C2CCC(C)CC2CO1,0,GDB ChEMBL
147907,CCCc1cc(F)ccc1C1CC1,1,GDB ChEMBL
374184,CC1CC2COCC(O)C1[NH2+]2,0,GDB ChEMBL
81732,CC(=O)N1CCC2(CCO)C1=CCS2(=O)=O,0,GDB ChEMBL
20098,CCC1OCCC1C(CCC=O)CC(C)(C)C,0,GDB ChEMBL
31408,CC(=O)c1ccc2ccn(C3CC3)c2c1C,1,GDB ChEMBL
186664,CNC(=O)COCCC[NH2+]C,1,GDB ChEMBL
354631,CC1CCC(=O)N2CC3C(OCC3(N)C[NH3+])C12,0,GDB ChEMBL
166393,CC1COC2CCC1[NH2+]C2CO,0,GDB ChEMBL
240783,CC1(O)CCCC(C)(CC[NH3+])[NH+]2CC1C2,0,GDB ChEMBL
21674,CC1OC(=O)C2C(Nc3cc[nH]n3)C12[NH3+],0,GDB ChEMBL
71439,CCC1C2=CCC(C(C)CCCC2)C2CC12,0,GDB ChEMBL
42291,CCN1C(=O)NC2CC1C(CO)C(O)C2O,0,GDB ChEMBL
104631,CCCC1=CCC(CCC)CC1C(C)(C)C,0,GDB ChEMBL
366787,C#CC(C#C)[NH2+]CC1=CCC([NH+](C)C)CC1,0,GDB ChEMBL
75877,CCC1C(C[NH3+])C1([NH3+])C(C)NS(C)(=O)=O,0,GDB ChEMBL
50245,CC1CCCC23OC2C[NH+]2CCC(CC2)C13,0,GDB ChEMBL
273404,CC1CC(=N)OC2COCC[NH+]1CCN(C)C2,0,GDB ChEMBL
115230,COC1OC(=O)CN(C)CC1C(C#N)=N[O-],0,GDB ChEMBL
92281,CCC1C2CCC(C)CCN1CC1CC[NH+]12,0,GDB ChEMBL
349519,C[NH+](C)CCC(CO)(CO)C1CCC1=O,0,GDB ChEMBL
238127,CCC[NH2+]CC(C)OC1CN2CC2CCO1,0,GDB ChEMBL
161374,CC1C2C3C4C5C2C5C(C43)C(C)[NH+]1C,0,GDB ChEMBL
243946,CCC(CC1=CCCC12CC2)CC(C)(C)C,1,GDB ChEMBL
76930,CC1OC2C(CO)NC(=O)C1C2(O)C=N[O-],0,GDB ChEMBL
209877,Cn1nccc1COCC[NH3+],1,GDB ChEMBL
113482,CC1CN1CCC(O)C#N,1,GDB ChEMBL
384840,C[NH2+]CC1(CO)CC(C)C2CCC1C(CO)C2,0,GDB ChEMBL
129790,C#CC1(CCOC(C)C)CC(C[NH3+])CNC1=O,0,GDB ChEMBL
358177,CCC1(NC(N)=[NH+]CC(=O)[O-])CNC1=[NH2+],0,GDB ChEMBL
338360,CC1CC(C)C(C)CCCC2(CCC2)C1,0,GDB ChEMBL
250580,C#CC(CC)C1CCCC1CC=C,1,GDB ChEMBL
161390,CCC1CCc2c(cc(Br)c3c2CCCC3)C1,1,GDB ChEMBL
121952,CC(CCO)C1C(N)=[NH+]CC1C,0,GDB ChEMBL
380240,CCOC1CC(C([NH3+])C2CC=CC2)C1,0,GDB ChEMBL
184105,C#Cc1csc(C#CCC(O)CCC)c1C,1,GDB ChEMBL
225188,N#CCC(=O)N(C=O)C1C([NH3+])C1O,0,GDB ChEMBL
127057,CC(N)=[NH+]CCCOC(=O)CN,0,GDB ChEMBL
382983,COC1OCC(=O)Nc2ncnc(C(C)O)c21,0,GDB ChEMBL
190376,CC1C2OC(=O)CC(O)C1C2[NH3+],0,GDB ChEMBL
252648,CCC1CCC2C3COCC3C2C1,0,GDB ChEMBL
240505,CC1(CO)OC(=[NH2+])NC1COC(=O)CN,0,GDB ChEMBL
233409,C[NH+](C)CC1C2C(O)CC1([NH3+])C1OC21C,0,GDB ChEMBL
13861,CN(CC=CN(C=O)C=O)C(N)=[NH2+],0,GDB ChEMBL
345807,Cc1cc(C2CN=C(N)C2(O)C=O)on1,0,GDB ChEMBL
317602,CC1CC[NH+]2C1C1OC1C2C(O)C[NH3+],0,GDB ChEMBL
183468,CC1CC(O)C2[NH+]=C(N)NC12,0,GDB ChEMBL
310322,CCCCS(=O)(=O)CCN1CC(C)=CC1C,1,GDB ChEMBL
195399,CN(CC(=O)[O-])C1(C(N)C#N)CNC1=[NH2+],0,GDB ChEMBL
141804,C#CCC1C(C2CCCC2)CC2C(C)CC[NH+]21,0,GDB ChEMBL
249851,CC#Cc1c(OC)ncn1C,1,GDB ChEMBL
130870,CN=c1ccnc(C)c2c1C(=NO)C(=O)N2,0,GDB ChEMBL
226271,C[NH2+]C1CC(OC2(CC(C)C)CC2)C1,0,GDB ChEMBL
330059,CNc1cc(O)nc(I)c1C1=[NH+]CCN1,0,GDB ChEMBL
26803,CCC1Cc2cc(N)nn2C1,0,GDB ChEMBL
280681,Cc1c(CNC=O)nc[nH]c1=O,1,GDB ChEMBL
290336,CCC1COc2c1[nH]c(CCC(N)=O)c2C#N,0,GDB ChEMBL
330905,CCC1=CCCCC([NH2+]C)CC=CC1,0,GDB ChEMBL
378603,CC([NH3+])CC(=O)NC(C)C1OCCOCCO1,1,GDB ChEMBL
333876,C#CC(CC[NH+]=C(N)N(C)C)NCC(N)=O,0,GDB ChEMBL
34403,NC(=O)N1C2CC3CCC(=O)NC3C21,0,GDB ChEMBL
188500,CC([NH3+])COCCCN(C)C=O,1,GDB ChEMBL
141965,CCCC1CC([NH3+])CC2CCC[NH+]1CC[NH2+]C2,0,GDB ChEMBL
70168,CCCC1=CCC(CC)CC=C1CC,0,GDB ChEMBL
263505,C#CC1(OC(C)=O)CCC(C)CCC(CC)O1,0,GDB ChEMBL
363817,CC1C2OC(=O)C1C1NC(N)=[NH+]C12,0,GDB ChEMBL
51816,CC(=O)OC1(C2(O)CC2O)CNC(=O)C1,0,GDB ChEMBL
44095,CC(=O)NCc1c(N)n[nH]c1C1COC(=N)N1,1,GDB ChEMBL
116601,CCC1CC2CC(CN(C)C3CC23)[NH2+]1,0,GDB ChEMBL
69575,C#CC(=[NH2+])NCC(N)=O,0,GDB ChEMBL
355833,CCC12NC1CC(=O)OC2C(N)=O,0,GDB ChEMBL
296022,C[NH+](C)C1(C2CC2)CC1(C)OCCO,0,GDB ChEMBL
151056,C#CC[NH+](C)C1C=C(C)C2C3CC(C)C1C32,0,GDB ChEMBL
56667,Cc1ccsc1C1CC1C(C)C,1,GDB ChEMBL
292255,CNC1(C)CNC(=N)NC(=O)COC1=O,1,GDB ChEMBL
191517,C#CC(CCC(C)C)C(C)(C)O,1,GDB ChEMBL
1063,COC1C(O)CC(S(C)(=O)=O)C1O,1,GDB ChEMBL
112766,CCc1c(S(C)(=O)=O)ncc(C)c1OC=O,1,GDB ChEMBL
134436,CC(C)C1(CCC2CC2)C2CCCC1CC2,0,GDB ChEMBL
267933,CNC(C#CCO)C(N)=[NH2+],0,GDB ChEMBL
332705,Cc1nc2n(n1)C(C)C(C(=O)[O-])COC2CO,0,GDB ChEMBL
371736,[NH3+]C1COC2C(C(=O)[O-])OCC12CC(O)CO,0,GDB ChEMBL
121505,CCCN1C2C[NH2+]CC21CCC(C[NH3+])CO,0,GDB ChEMBL
144514,CCN1C2c3c(Cl)cncc3CC21CC,0,GDB ChEMBL
45936,CC1[NH2+]C2(C)CC1C(O)C2C1CC1,0,GDB ChEMBL
273980,CC#CC([NH2+]C1CCC1)c1cn[nH]c1C,0,GDB ChEMBL
306371,CCCCC1C[NH+]2C3CC3CC12C,0,GDB ChEMBL
277977,Cn1cc2cc1CCOC(C#N)=NCCCC2,0,GDB ChEMBL
58989,CCNC(=N)C1OC2CN(C)CC2O1,1,GDB ChEMBL
362678,CC1=CCC2CC(CC(C)[NH3+])(C1)C(CO)[NH2+]2,0,GDB ChEMBL
127494,CC1=CC(C)C2OCCC2C1,1,GDB ChEMBL
68679,C#CC(CC)N1CCN(C)C(=O)C1C,1,GDB ChEMBL
99695,CC[NH+]=CNCC1(C(=O)[O-])OCCCCC1C,0,GDB ChEMBL
263419,C#CC1Cc2ccccc2C1(C)CC,1,GDB ChEMBL
350895,C#Cc1cc(F)c(F)c2nn(C)c(N)c12,1,GDB ChEMBL
300521,CCC1C(C)CC(O)C2CC(C[NH3+])C12,0,GDB ChEMBL
127909,CCCC1CC(C[NH2+]C(C)C)OC1CCC=O,0,GDB ChEMBL
174802,[NH3+]C1CC2C(C1)C21CCC1,0,GDB ChEMBL
1988,CC([NH3+])C1OC(CO)C([NH3+])CCCC[NH2+]C1C,0,GDB ChEMBL
17039,CC(C)C1C=CC2CCCC1(C)C2,0,GDB ChEMBL
129573,Cc1cc2c3c(c1N)C[NH2+]C3CC(CC[NH3+])C2,0,GDB ChEMBL
243725,CCC12CC(C[NH2+]C)C(C)CC1C2,0,GDB ChEMBL
207373,C[NH2+]CC1(OCC2CC2)C=C(C)CC1,0,GDB ChEMBL
271619,CCC1(C)C(C)C([NH2+]C)C2CC21,0,GDB ChEMBL
338379,C#CC[NH2+]C1CCC(C)=CCC1CC,0,GDB ChEMBL
350270,CC1(CNc2ccccc2F)CCC(=O)CC1,1,GDB ChEMBL
195551,CC1Cc2ccccc2CCC2CC12,1,GDB ChEMBL
287304,C=CCCC(C)CCC1(C)CCC1,1,GDB ChEMBL
260546,CCC(C)CCCC#CC1(C)CC1,1,GDB ChEMBL
29763,CCC12CC(O)CC1C(C)[NH+](C)C2C=O,0,GDB ChEMBL
53656,CCC(O)C1C(C)OCC12CC(C)C[NH2+]2,0,GDB ChEMBL
67396,N#CCC(CCC[NH3+])C(O)S(N)(=O)=O,0,GDB ChEMBL
104688,CCCC1C2C=CC(C[NH2+]C)C21,0,GDB ChEMBL
181163,Cc1nn(CC(C)C(C)O)c(=O)c2nccn12,0,GDB ChEMBL
366028,N#C[C-]1C(=O)N2CC2C(O)C1OS(N)(=O)=O,0,GDB ChEMBL
136719,C#CCCC1CC(C)C(=C)CC1O,0,GDB ChEMBL
31392,C[NH2+]C1(C)CCNC1C(=O)OC(C)C(C)C#N,0,GDB ChEMBL
80230,CCC1CC(C)CC(=O)CC1[N-]C(=O)C#N,0,GDB ChEMBL
104405,C=C(CO)CC[NH+](C)CCN1CC1,0,GDB ChEMBL
127185,CC(C1(C(N)=O)C[NH2+]C1)S(=O)(=O)CCCO,0,GDB ChEMBL
300117,Cc1cc2c(cc1C)C1C=CC2CC1,1,GDB ChEMBL
362643,C#CC(C#C)C1=CC(CCC)[NH2+]C1,0,GDB ChEMBL
395585,CC1=CC(C(C)O)OCC(C)C(C)(C[NH3+])C1,0,GDB ChEMBL
232104,C#Cc1cc(C=O)c([O-])c(Cl)c1OC1CC1,0,GDB ChEMBL
184691,C[NH+]=C(N)NC(C#N)C(N)=O,0,GDB ChEMBL
22549,CCC1C2CCC(C)C1C(C)(C(C)C)CC2C,0,GDB ChEMBL
251398,CC[NH2+]C(COC)C(C)(C=O)C(C)C=O,0,GDB ChEMBL
162494,CC([NH3+])CC1CCC2OC2C1O,0,GDB ChEMBL
190479,C[NH2+]C1CC2CC(CCC2(C)C)C1C(C)(C)C,0,GDB ChEMBL
41298,CCN(C=O)C1=NC(C(C)(C)C)CN1,1,GDB ChEMBL
111472,COCC(=O)c1cnc(N)[nH]c1=O,1,GDB ChEMBL
228347,CCc1cc(C)ncc1C[NH3+],0,GDB ChEMBL
244523,CC1CC(C)(CNc2ccc(Br)nc2N)C1,1,GDB ChEMBL
313319,CC1([NH3+])CC1C1CCOC1C(=O)[O-],0,GDB ChEMBL
288588,CCC1C[NH2+]C2C3CC1CC32,0,GDB ChEMBL
190809,O=C1NC2CC1CC=C2c1cc[nH]c1,1,GDB ChEMBL
258301,CN(C)Cc1ncc(Br)c(OC=O)c1CCO,1,GDB ChEMBL
76811,Cc1cc(NCC[NH3+])n[nH]1,1,GDB ChEMBL
101546,CC(C[NH3+])C1CN2CC2C(=O)O1,0,GDB ChEMBL
291529,CCC(CC)CC1CCO1,1,GDB ChEMBL
10996,CCC[NH2+]C1COC2C3C1CC=CC23C#N,0,GDB ChEMBL
22043,COC(N)=NCC(C)=O,1,GDB ChEMBL
313731,CCCC#CC(C)CC1(CC)CCCC1,1,GDB ChEMBL
313367,C[NH2+]C(CCO)CN(C)C,1,GDB ChEMBL
173838,CCOCC[NH+]=C1NCC(C)(C)N1,0,GDB ChEMBL
151244,CCN1CCNC(CO)C1C#N,1,GDB ChEMBL
9692,COC1COC2C[NH2+]C(C)CC([NH3+])C12,0,GDB ChEMBL
398927,COC(=O)CC1(N)C(C)[NH2+]CC1C(C)CCO,0,GDB ChEMBL
296070,CCC(=O)c1c(CC)cn(C(C)C)c1C(C)=O,1,GDB ChEMBL
228344,C#CCCC1CC2(CCC)CCC([NH3+])C1C2O,0,GDB ChEMBL
140778,COCC([NH3+])CC1CC1(C)C#N,0,GDB ChEMBL
95172,CCC(OC)C(=O)CN1CC(C)(O)C1,1,GDB ChEMBL
330094,CN1CCNC(C)(CO)C1(C[NH3+])C(N)=O,0,GDB ChEMBL
244606,C#CC1CC([NH3+])C2COC1C2(C)CCC,0,GDB ChEMBL
255489,COc1cc2c(c(OC)c1)N=CNC(=N)OC2,0,GDB ChEMBL
372174,C#CC(O)CC(C=C(C)C)CCO,1,GDB ChEMBL
56658,CCCC1C(=O)CC(C)(C)C2C[NH+]1C2,0,GDB ChEMBL
361605,CC1CCCC2NC(=O)NC12,1,GDB ChEMBL
334696,CC#CC(C)(C)c1cncc(C2CC2)c1,1,GDB ChEMBL
185976,CCCCC1CCCC2(CC)C3CCC(C3)C12,0,GDB ChEMBL
225218,C=C1CC(CO)C1[NH2+]CCC[NH2+]C,0,GDB ChEMBL
111571,CC1C2C3CC(C)(C1O)C2C[NH2+]3,0,GDB ChEMBL
34440,CCCCC1CCCC(CCCC)C1CCC,0,GDB ChEMBL
173142,C#Cc1cc(C(C[NH3+])C(F)(F)F)cc(NC)n1,0,GDB ChEMBL
374197,CC(C)C1=CC(=O)CCC(=[NH2+])N1CCO,0,GDB ChEMBL
266228,CC1CC2C(C[NH2+]C2(C)C(C)O)N(C)C1,0,GDB ChEMBL
72021,C#CC(CC1CC1)CC(C)(CCC)CCC,0,GDB ChEMBL
374179,CC=C1CC2C3C=CC(CC3)C2C1,1,GDB ChEMBL
203324,N#CC1(C(=O)[O-])C2C([NH3+])CCS(=O)(=O)N21,0,GDB ChEMBL
307932,CC1CC2NC(=O)CC2[NH2+]1,0,GDB ChEMBL
277905,NC(=O)C(N)C1CC(C[NH3+])NC(N)=[NH+]1,0,GDB ChEMBL
18340,CCCCCC12CC1C(C)CCC2C,0,GDB ChEMBL
337142,CCCCCN1CCCc2[nH]ncc21,1,GDB ChEMBL
34162,C#CCC1(c2cccc(I)c2)CO1,1,GDB ChEMBL
17330,COC1CNS(=O)(=O)C1NC(C)=O,0,GDB ChEMBL
203462,O=S1(=O)CCOC2C(CC3C[NH2+]CCC32)N1,0,GDB ChEMBL
153341,CN(CC(=O)[O-])Cc1cnc(C(C)(C)C=O)s1,1,GDB ChEMBL
231152,CCCN1CC1(CC#N)C([NH3+])C(=O)[O-],0,GDB ChEMBL
217369,CC1[NH2+]C2CCCC3CCC1(C)C32,0,GDB ChEMBL
115781,CC1Nc2ccc(Cl)c3c2C1(C[NH3+])CN3,0,GDB ChEMBL
175550,CC1C2CCCC(C2)C2CC=CCC12,0,GDB ChEMBL
226278,CCC1([NH2+]CC(C)C)COCCC=C1C,0,GDB ChEMBL
195499,CC1C2CCC(O)C1C(CN)[NH2+]2,0,GDB ChEMBL
222555,CCC(C(O)C(=O)OC)C(CO)S(N)(=O)=O,0,GDB ChEMBL
354345,CCC1(C)CCC(C)(CC)C1C(C)C[NH3+],0,GDB ChEMBL
40224,CCc1cc2c(c(C)c1Br)CCO2,1,GDB ChEMBL
362664,CCC12CC(CC(CO)(C(C)C)[NH2+]1)N(C)C2,0,GDB ChEMBL
80246,Cc1c(Cl)cc(C)c2c(=O)ccccc12,1,GDB ChEMBL
204821,CCC1CC(C)C(C#N)CC1C,1,GDB ChEMBL
220201,CC(C)CC1CC[NH+](C)CCOC1(C)C(C)O,0,GDB ChEMBL
275517,CCCCC=C(C)C1C(C)CC1C,1,GDB ChEMBL
148912,CC[NH+]1C2CCC1(C(O)C(C)(C)C)CC2,0,GDB ChEMBL
203129,C#CC(OC)C(N)C#N,1,GDB ChEMBL
274161,CN(CCO)c1cc(N)on1,1,GDB ChEMBL
161391,COC(=O)C12NC(=[NH2+])N(C)C1C2N,0,GDB ChEMBL
276274,CCCCC1CC2CCC(C)C2(C)C1,1,GDB ChEMBL
88131,N#CC1C(CC[NH3+])CCC1CC(N)=O,0,GDB ChEMBL
368216,CCc1c(C#N)c(C(=O)c2ccsc2)nn1C,1,GDB ChEMBL
278125,COC1CCC2[NH+](C)C1CC2(O)C(C)=O,0,GDB ChEMBL
11718,COC1CC2CC(C3CC3)CC[NH+](C2)C1C,0,GDB ChEMBL
376662,CC(C[NH+]1CC(C(=O)[O-])CC1C)N(C)C,0,GDB ChEMBL
161763,CC(C)(C)CC(CO)CC1(O)CCC1,1,GDB ChEMBL
131668,CCOCC1C=CC(C)C(C(F)(F)F)C[NH2+]1,0,GDB ChEMBL
24055,CCC(C#N)C1CC1C(N)=[NH2+],0,GDB ChEMBL
200970,NC(=[NH2+])NC1C2CNC1C2([NH3+])CC(=O)[O-],0,GDB ChEMBL
85030,CC[NH2+]C1C=C(C2(COC)OC2C)NC1=O,0,GDB ChEMBL
85676,C#CC1CCC(=O)OCC1[NH2+]C1CC1,0,GDB ChEMBL
250604,C[NH2+]CC1(COC)C[NH2+]CC(C)(C)C(C)OC1,0,GDB ChEMBL
32049,[NH3+]C1C2CC(O)(CCNC(=O)C1O)CO2,0,GDB ChEMBL
389372,Cc1c2c(nn1C)C=C(CCO)CN2C,0,GDB ChEMBL
307870,CCC1C2COC1C(C(N)=O)NC2=O,0,GDB ChEMBL
7786,Cc1noc(COCC(C)([NH3+])CO)n1,1,GDB ChEMBL
137409,NC(=O)C1C2CCC1[NH2+]C2,1,GDB ChEMBL
247521,COCCN(C)C(=O)c1coc(OC)c1N,0,GDB ChEMBL
376980,CC(O)CCC1(C)CNC1=O,1,GDB ChEMBL
190497,CC[NH+]1CC(C=O)CC=CC(OC)C1,0,GDB ChEMBL
173978,CNc1nc2c(C(N)=[NH2+])nc(N)c(C#N)c2s1,0,GDB ChEMBL
346811,CCC12C(C)C1CC(O)C[NH+]2C,0,GDB ChEMBL
1987,CC1=CC(C)C2(C)CCC(O)CC12CO,0,GDB ChEMBL
3985,CC1CC(C(C)(C)C)C2C(CC[NH+]2C)C1C,0,GDB ChEMBL
285613,C=CC1C(CCNC(N)=[NH2+])C1(C)C,0,GDB ChEMBL
185273,CC[NH+](C)C(C)(C)C1CC1,0,GDB ChEMBL
122860,C#CC(=O)N1CCC(O)C2(NC2C#N)C1C,0,GDB ChEMBL
26817,C#CCCC1CCCCCOC1C#C,0,GDB ChEMBL
362159,CCN1C2C(=O)NC(C(C)O)C([NH3+])C21C,0,GDB ChEMBL
365823,CCCCC(C)(C)CCCC1(C)CCCC[NH2+]1,0,GDB ChEMBL
47712,CN(C)C(CO)C1(C[NH3+])CC1(C)[NH3+],0,GDB ChEMBL
182133,NC(=[NH2+])N(C(N)=O)C1CC([NH3+])C2CC1C(=O)O2,0,GDB ChEMBL
270994,C[NH2+]CC(=O)CC(O)CO,0,GDB ChEMBL
317764,C#CC1(O)C2CC(OC)CC21C(=O)[O-],0,GDB ChEMBL
304839,CCC1(CC2C[NH2+]2)CC(C)C(O)C([NH3+])C1,0,GDB ChEMBL
305304,COC(=O)C(N)C1CCOC=N1,0,GDB ChEMBL
34897,C#CCC1CC1C(CCC)CC1CC1,0,GDB ChEMBL
363169,COC1(CC(C)(C)C)C2CCC1C2[NH+](C)C,0,GDB ChEMBL
211131,C#CCCC1C=C(C)C[NH+](CC)C(C)(C)C1,0,GDB ChEMBL
238135,CN1CCc2nsnc2CC(CC#N)C1,0,GDB ChEMBL
64615,COC(CO)C1(C(C)C)C(CO)=CCC1C,0,GDB ChEMBL
80290,C[NH2+]C(C)C12CC(=O)OC1c1c(ncn1C)C2,0,GDB ChEMBL
280486,NC(=O)C1NC1CCS(N)(=O)=O,0,GDB ChEMBL
11728,CNC(C#N)C(OC)C1COC(=O)N1,1,GDB ChEMBL
51827,C[NH2+]C1COC(C#N)C(N)C1,0,GDB ChEMBL
205754,Cc1ccsc1NCc1cnnn1C,1,GDB ChEMBL
331503,Cn1cncc1CCC1C[NH2+]1,0,GDB ChEMBL
227759,C[NH2+]CC1NC(=[NH2+])CC[NH+](C)CC1NC(C)=O,0,GDB ChEMBL
89140,C#CCC(C#C)C(=O)C(N)=NCC[NH2+]CCC,0,GDB ChEMBL
15587,CC12C=CC(CNC(=O)C1[NH3+])OC2=N,0,GDB ChEMBL
271815,COCC1C(C=O)C1NC(N)=[NH2+],0,GDB ChEMBL
67360,C#CC12CN1C(=O)C([NH3+])C2CC,0,GDB ChEMBL
241128,C#CC(C#C)c1cc(C)c(C)c(Cl)c1CC,0,GDB ChEMBL
99594,CC1C(CC#N)C(O)C2C=CCC12,0,GDB ChEMBL
338353,COCC1(C)C(=[NH2+])N(C(C)CO)CC1=O,0,GDB ChEMBL
39668,C=CCCCC1OC2CCC1C2C,0,GDB ChEMBL
101001,CCCC12[NH2+]CC3OC1CC(O)C32,0,GDB ChEMBL
277389,CC1=CC2C[NH2+]C(C)C(CO)C1C2C,0,GDB ChEMBL
309198,CC[NH2+]CC(C)OC(=N)OC,0,GDB ChEMBL
274915,Cn1cc(O)c(C2CCOCC[NH2+]2)n1,0,GDB ChEMBL
31388,CCC1CCCCC2(C)CC(C=O)CC(C)C12,0,GDB ChEMBL
276179,CCC([NH3+])CCC1(CCO)CC1C,0,GDB ChEMBL
169490,CC1(C(=O)[O-])CN1C(=[NH2+])NC(=[NH2+])CCO,0,GDB ChEMBL
294771,CC1=CC(C)C2CC(C)(C)C(C1)C2=O,0,GDB ChEMBL
164635,CCN(C(=N)OCCCOC)C(N)=O,1,GDB ChEMBL
222826,CC1C(=O)CC(=O)OC2CC1NC2=O,0,GDB ChEMBL
281983,CC1COC12CCC[NH+](C)CC2,0,GDB ChEMBL
274186,[NH3+]CCC1C(=O)OCC=C1CO,0,GDB ChEMBL
265521,C#CCC(c1cccc(C#C)c1Cl)C(C)C#C,0,GDB ChEMBL
35000,CCOC(=O)CC(C)C(CCO)C(=O)[O-],1,GDB ChEMBL
55498,CC1CC(=O)C2(O)C[NH2+]C(C)(C)CCCC2C1,0,GDB ChEMBL
17436,Cc1c[nH]nc1NC(=O)N(C)C(=O)C#N,1,GDB ChEMBL
281975,[NH3+]C1C[NH2+]CC2OC(C1)C2C(=O)[O-],0,GDB ChEMBL
34269,CCC#CC(CC(C)(C)C1CC1)[NH2+]C(C)C,0,GDB ChEMBL
33538,CC[NH2+]C1C(NC)C2OC(=O)NC12,0,GDB ChEMBL
8729,N#CCC1(C(N)=O)C(=[NH2+])NC1CC[NH3+],0,GDB ChEMBL
358496,CC1(C(N)=O)NC(=[NH2+])Nc2ccnc(O)c21,0,GDB ChEMBL
218805,COCC1=CCN(C)C(=O)C2CC12,0,GDB ChEMBL
378605,C#CC(C)(CCC)CC(CCOC)C(C)(C)C,0,GDB ChEMBL
396709,CCC1[NH2+]CC(C)OC1(C)CC#N,0,GDB ChEMBL
180968,COCC1C2OC(=O)C(N)C12,0,GDB ChEMBL
133174,C[NH2+]C(C)(C)c1cc(C)cc(=O)c(OC)c1,0,GDB ChEMBL
35311,COC(=O)C1(C)C(=O)c2cnn(C)c2CC1C,1,GDB ChEMBL
294422,CCCCC1(C)C(C)CC(C)C12OC2C,0,GDB ChEMBL
350647,COC1CC2C(O1)C(CO)CC(C)C21CC1,0,GDB ChEMBL
44974,CC12CC1CC(C(CO)[NH+]1CCC1)O2,0,GDB ChEMBL
147273,CCC1C=CC2CC(=O)OC1C(C)O2,0,GDB ChEMBL
304893,CC1[NH2+]C1CCCCC(=O)OC1CC1,0,GDB ChEMBL
186003,CCC(CO)(CCCC(C)=O)CC(C)=O,0,GDB ChEMBL
57321,CC(C(O)CC=CC[NH3+])C(C)(C)C,0,GDB ChEMBL
137066,CCC#CC1NS(=O)(=O)CC1O,0,GDB ChEMBL
181645,O=C1NCC(O)COCc2nn[n-]c21,0,GDB ChEMBL
299604,CC1=CCCC1C1CC(=O)C[NH2+]1,0,GDB ChEMBL
316299,N#CCCCCCCC[NH3+],1,GDB ChEMBL
33327,NC(=O)C(=O)NC1CC[NH2+]C1C(=O)[O-],1,GDB ChEMBL
320290,COC(=O)C1CC(C(=O)C(O)C(N)=O)N1,1,GDB ChEMBL
137386,C=CC1CC2(C)C3COC2CN1C3,0,GDB ChEMBL
383918,CCC#CC(C#N)CNc1cscn1,1,GDB ChEMBL
383977,C#CCC[NH2+]CCCC(C)C1OC1C=NO,0,GDB ChEMBL
199433,CNC(=O)C([NH2+]C)c1cc(N)cc(F)c1,1,GDB ChEMBL
5219,CC(=O)N1C2C(=[NH2+])NC(CO)CC([NH3+])C21,0,GDB ChEMBL
195532,CNCC(N)(C[NH2+]C)C(=O)OCC(C)O,0,GDB ChEMBL
181727,CC1OC(C)C2C(CO)C=CCCC12,0,GDB ChEMBL
180061,CCC1C(N)(C#N)C1(C)C(N)=O,0,GDB ChEMBL
7364,C#CCc1c[nH]c2cc(C#C)ccc12,1,GDB ChEMBL
188504,Cc1c(Cl)nc(C[NH3+])c(C(C)CO)c1Cl,0,GDB ChEMBL
227570,CCC1C([NH3+])C1(COC)OC1CC1,0,GDB ChEMBL
153708,CC1=CC(C#N)(C(C)(CO)C(C)C)C(O)C1,0,GDB ChEMBL
104746,CC(=O)OC1[c-]2ccc(=O)n2C1CO,0,GDB ChEMBL
186568,CC(CCO)(CCOC(C)(C)C)CCC(=O)[O-],0,GDB ChEMBL
238022,C=CC1(C#CC)C(CC)C[NH2+]C1C,0,GDB ChEMBL
84454,CC([NH3+])C1C(C)COC2CN1C2,0,GDB ChEMBL
300561,CNC(=O)OCC1(O)C[NH2+]CC1(C)CCC=O,0,GDB ChEMBL
198692,Cc1ccc2c(c1)C1(C)CCC3CC3C1C2,0,GDB ChEMBL
257983,CC[NH2+]CC(C(C)=O)N(C)Cc1cc(C)cs1,0,GDB ChEMBL
280685,N#CC1(N2CCCC[NH2+]C3CCC2C3)CC1,0,GDB ChEMBL
115555,CCOC(C(N)=O)C(=O)NCC(C)=NO,1,GDB ChEMBL
70820,CC#CC(CC(C)C)C(C)(CC)CC,0,GDB ChEMBL
347855,N#CC1(N)C2CC1(O)C(C[NH3+])[N-]C2=O,0,GDB ChEMBL
64095,CCCCCC(C)CC1=CCC(C)(CC)C1,1,GDB ChEMBL
139797,N#CCC1CC(O)C(OC(N)=[NH2+])CN1C(N)=[NH2+],0,GDB ChEMBL
130377,CC(CC=O)C(=N[O-])C(=O)NC(=N)N,0,GDB ChEMBL
249496,C#CC1NCC(C#N)NC(=O)OC1(C)C,0,GDB ChEMBL
234472,CC1OC(C[NH3+])COC1C([NH3+])CO,0,GDB ChEMBL
194426,CCc1cc(C)c(F)cc1C[NH2+]CC(C)(C)C,0,GDB ChEMBL
131684,CC(COC(C)C)NC(=N)S(N)(=O)=O,1,GDB ChEMBL
151045,CC1(O)CCC2CC3CC3[NH+]2CC1,0,GDB ChEMBL
17502,CCOC(C)CCCC1C(C)CC(C)(C)C1C,0,GDB ChEMBL
104958,COC1C(C[NH3+])N(C(C)=O)C(C)CCC1(C)C,0,GDB ChEMBL
2103,CCCCC1=CCOCC1CC,1,GDB ChEMBL
201154,[NH3+]CCCNC(=O)N1CC1S(=O)(=O)[O-],0,GDB ChEMBL
317756,CC(C)C1NS(=O)(=O)OC1CCC(N)=O,1,GDB ChEMBL
267910,COC=NC(C[NH3+])Cc1ccnc(F)c1,0,GDB ChEMBL
27958,CC(C)(O)C1CCCCC[NH2+]1,0,GDB ChEMBL
389356,COCC12OCC(NC(=[NH2+])C1C(=O)[O-])C2O,0,GDB ChEMBL
286840,CCC(=O)N1C=CC([NH+](C)C)C(O)C1,0,GDB ChEMBL
119799,NC(=[NH2+])NCC(O)C(O)C(=O)[O-],0,GDB ChEMBL
27929,CC1=CCC(C)(C)C1C1CCC(C)CC1,0,GDB ChEMBL
248273,NC(=[NH2+])NC(C(N)=O)C1C(=NO)CC1O,0,GDB ChEMBL
361807,COC1=NC(C=O)C(O)C(=O)N1,0,GDB ChEMBL
337110,C[NH2+]CC1CC2OC2(C)CO1,0,GDB ChEMBL
346549,C[NH2+]CC1C(C#N)C(=O)C(OCCO)C1C,0,GDB ChEMBL
76833,CC1C[NH+]=C(NCC(CO)OC(=O)C=O)N1C,0,GDB ChEMBL
136419,CC[NH+]1CC=CCC=C(C2CC2(C)C)C1,0,GDB ChEMBL
277983,CCC(O)C1CC(C)N2CC2C1,0,GDB ChEMBL
24303,N=c1nc(NC(=O)CC(=O)[O-])cn[nH]1,1,GDB ChEMBL
382216,CCCCC1(O)CC(=O)c2cncn2C1,1,GDB ChEMBL
50889,Cc1cc2c3c(c1Br)C1CC1[NH2+]C3COC2,0,GDB ChEMBL
306305,CCCC1CC1[NH2+]CC#CC(C)C,0,GDB ChEMBL
203237,C#CC1(C#C)CCCC(CCCC(C)C)C1,0,GDB ChEMBL
315181,CN(C1COC1)C1(C(=O)CCO)CC1,1,GDB ChEMBL
85841,COCC1(C)OC(=O)CCNC(=[NH2+])NC1C#N,0,GDB ChEMBL
11012,NC(=O)NCc1scnc1O,1,GDB ChEMBL
275654,CC1CC2CC3CCCC(C3)C(C1)C2,0,GDB ChEMBL
5242,CCc1ccnc(C#N)n1,1,GDB ChEMBL
385954,O=C1OC2(CO)C3CC(O)C2C1N3,0,GDB ChEMBL
112577,C#CCC(CC)C(C)(C)NC(=O)C(C)O,1,GDB ChEMBL
149318,O=C1CC2CN2C1C(O)CO,0,GDB ChEMBL
245868,COCCC1CC(O)CC(C)[NH2+]CC1CC=O,0,GDB ChEMBL
350717,CCC(=O)C(C#N)C(N)=O,1,GDB ChEMBL
5272,CC#CC1(C#N)CCCCN(C)C1,1,GDB ChEMBL
223269,CC([NH3+])C1C(C)C[NH+]1C(C)C(=O)[O-],0,GDB ChEMBL
46026,CNc1cc(C#N)c[nH]c1=[NH2+],0,GDB ChEMBL
49131,CCC1C2(O)CCC(CC(C)C13CC3)C2,0,GDB ChEMBL
281059,C#CC1CC(c2ccccc2Br)C1,1,GDB ChEMBL
323159,CC1CCCCCC2CC3CC3C12,0,GDB ChEMBL
349968,CCC1=CCN(CC[NH3+])C2CC(O)(C1)C2,0,GDB ChEMBL
297016,CC#Cc1cc(Br)c(CCC)cc1Br,1,GDB ChEMBL
325241,CCC1CCC(C)C2C(COC)CC2C1O,0,GDB ChEMBL
34284,CCC(=O)C(C)(C=O)C(O)CC(=O)[O-],0,GDB ChEMBL
263189,Nc1ccc(Br)c(CNC(=O)C(=O)[O-])n1,0,GDB ChEMBL
18925,CC1CC2=CC(C(O)C2)C2C(C1)C2(C)C,0,GDB ChEMBL
173850,Nc1ccn2cc(Br)cc(O)c12,1,GDB ChEMBL
299723,CC(C)CC(C#N)C(C)O,1,GDB ChEMBL
41313,CCC(C)([NH3+])C[NH2+]C(C)C,0,GDB ChEMBL
190395,NC(=O)COC(=O)Nc1ccno1,1,GDB ChEMBL
204410,CCCN(C)c1c(C(C)C)cc(I)c(C)c1N,1,GDB ChEMBL
155108,CC1C2CC([NH3+])C(O)C([NH2+]2)C1C,0,GDB ChEMBL
234458,CC(O)CC(C)CCCCCS(=O)(=O)[O-],1,GDB ChEMBL
97144,CC1OC2(C(=O)[O-])C[NH+](C)C3C1C32,0,GDB ChEMBL
24061,C#CC(CC)CC(C#CC)C(N)=O,0,GDB ChEMBL
156739,CC1CC([NH3+])CC(C(N)=O)[NH2+]C(C)C1,0,GDB ChEMBL
199430,[NH3+]CC1(NCCCO)CCOC1,0,GDB ChEMBL
9886,CCCC(C)(C)CC1CC(C)([NH+](C)C)C1,0,GDB ChEMBL
334168,Cc1ncsc1C1C(C)CC1C1CCCC1,0,GDB ChEMBL
241084,CC1(C)OC1CCNC(=O)c1nncs1,1,GDB ChEMBL
166418,CC1CCCCc2c(F)cc3ccccc3c21,1,GDB ChEMBL
152635,CC1C(C(C)(C=O)CO)C2C[NH+]1CCN2,0,GDB ChEMBL
292702,CC[NH+](CC)C1COC2CC(C)C1C2,0,GDB ChEMBL
37110,NC1=[NH+]CCN1C(C=O)CO,0,GDB ChEMBL
259411,CC(=O)N1C2CC(=O)C(CCCO)C1CC2O,0,GDB ChEMBL
119222,CCC1COCC2(CC2)C1O,1,GDB ChEMBL
255433,C#Cc1cc(CC=C)cc(Cl)c1C,1,GDB ChEMBL
222074,C[NH+]=C1Cn2ccc(C)c2CCCCN1C,0,GDB ChEMBL
337107,CC[NH+]1CCC(C[NH+]=C2CC3CC3CN2)C1,0,GDB ChEMBL
299950,NC(=[NH2+])NCCC=CCCOC=O,0,GDB ChEMBL
375446,NC(=O)C1NC(=O)C2OCC12CC[NH3+],0,GDB ChEMBL
149335,COC1CC=C(c2ccccc2)CC1(C)[NH3+],0,GDB ChEMBL
321440,O=CC1C(C(=O)[O-])C1C1CC[NH2+]1,0,GDB ChEMBL
201096,CC[NH2+]C1CCOC1C(O)C=O,0,GDB ChEMBL
204464,C#CCCNc1ccccc1N,1,GDB ChEMBL
109781,NC1C[NH2+]CC2C[NH2+]C1C2,0,GDB ChEMBL
376686,CC[NH2+]CC1CC[NH+](C)C(CC)C=C1C[NH3+],0,GDB ChEMBL
194473,CCOCc1cnc(Cl)nn1,1,GDB ChEMBL
277714,NC(=[NH2+])N1C2CC(O)C3CC2CC31,0,GDB ChEMBL
385415,CC1C(C(N)C[NH3+])[NH+]=C(N)NC(=O)N1C,0,GDB ChEMBL
304272,CN(C(N)=O)C(=O)NCC([NH3+])C(N)C[NH3+],0,GDB ChEMBL
330078,N#CCC1(C(N)=O)CC1O,1,GDB ChEMBL
244548,CCC1C([NH3+])C(N)C(C(N)=O)N1S(C)(=O)=O,0,GDB ChEMBL
362365,CC[NH2+]CC(=O)[N-]C1=NCC(C[NH2+]C)O1,0,GDB ChEMBL
34228,CC(C)N=C1Cc2c(N)[nH+]c(N)n2CCCO1,0,GDB ChEMBL
149952,COC(=O)C1COC(C)(C(O)C(N)C[NH3+])C1[NH3+],0,GDB ChEMBL
194385,CCOCC1(CC)C2CCC21,0,GDB ChEMBL
383040,CC1CCC(O)C([NH3+])C2(O)C(=O)NCC12,0,GDB ChEMBL
143511,C#CC(C)C(C)c1ccc(C)cc1C(F)(F)F,1,GDB ChEMBL
324037,C[NH2+]CC(O)C1(N)COC(=O)C1N,0,GDB ChEMBL
127178,CC(C)CC12CC(CC1C)NC(CO)C[NH2+]2,0,GDB ChEMBL
296060,C#CCOC1CC[NH+](C)C(C)C2CCC12C,0,GDB ChEMBL
256119,CCCc1ncc2cc[nH]c2c1I,1,GDB ChEMBL
248264,CC(C)(C)CCC1CC(=NCCC#N)OC1=O,1,GDB ChEMBL
61282,O=C1OCCCC2CC1N2,0,GDB ChEMBL
267378,CCC1C[NH+](C)C2CC2(C)C(CC)C1C,0,GDB ChEMBL
262547,C#CC(=O)OCCCc1c(O)cc(NC)n1C,0,GDB ChEMBL
306335,CNC(=O)C12NCC(C)C(CC1[NH2+]C)NC2=O,0,GDB ChEMBL
17109,CC(CNS(=O)(=O)CO)[NH+](C)CCO,0,GDB ChEMBL
109170,CN(C(N)=O)C(=O)CC1NC(=O)NC1=N,1,GDB ChEMBL
215307,CCC1NC(=[NH2+])CN(C)C1CS(N)(=O)=O,0,GDB ChEMBL
292936,N#CC1CCCC1C1OC1Cc1cccs1,1,GDB ChEMBL
153305,CCC(C(C)(C)O)C12CC(O)CCC1C2,0,GDB ChEMBL
17613,CCCC1=Nc2cccnc2N=CN1,0,GDB ChEMBL
257437,C[NH+](CCc1ccon1)CC(O)CC(N)=[NH2+],0,GDB ChEMBL
253567,NC(=O)CC(=O)CNC(=O)CC(N)=O,1,GDB ChEMBL
69562,CC1c2c(Cl)cccc2C2C1CC1C(C)C12,0,GDB ChEMBL
358611,CC(C)(C)CC1CC1[NH2+]C(C)(C)CO,0,GDB ChEMBL
53713,C[NH2+]CC1CCCC2(C)OC12,0,GDB ChEMBL
225840,CC(CC#N)C1C(C)C1C(C)[NH+](C)C,0,GDB ChEMBL
395929,C=CC1(C)CCCC1C1CCCC1,1,GDB ChEMBL
39953,CC1C(=O)NCC1C([NH3+])C1(C)CCC1,0,GDB ChEMBL
29260,CCC1(O)CC2COC(C2)C1,1,GDB ChEMBL
246418,CN=C(C)OC(=O)NCCC(C)=O,1,GDB ChEMBL
266465,C#Cc1cc[nH]c(=O)c1C(=O)CCOC(C)=N,1,GDB ChEMBL
382502,CCCN=C1CCN(C)C(=[NH2+])CC(=O)O1,1,GDB ChEMBL
292908,CC(CC1(CO)CN1)OCC(F)(F)F,0,GDB ChEMBL
354074,CC(=O)n1c(C#N)c(C)c(NC=O)c1C(=O)[O-],0,GDB ChEMBL
195501,Oc1cc(O)c2[nH]ccc2c1F,1,GDB ChEMBL
397069,C1#Cc2cc(ccn2)C=CCCC=C1,1,GDB ChEMBL
249426,NC(=O)CN1C(=O)OCCS1(=O)=O,0,GDB ChEMBL
4917,N#CC1[N-]C(=O)CC1(O)C(O)C(=O)[O-],0,GDB ChEMBL
169365,CCOC1CC2(O)CC(O)C1C2(C)C[NH3+],0,GDB ChEMBL
59657,NC(=[NH2+])C1NC(=O)C2OC2CC1O,0,GDB ChEMBL
344356,N#CCNC(=[NH+]C1CC1)C1CC[NH2+]C1,0,GDB ChEMBL
269322,CC1CCCC(C)C(CO)C[NH2+]C1,0,GDB ChEMBL
230729,CN1CCNC(=[NH2+])C(C[NH3+])C1,0,GDB ChEMBL
137087,CC(C)CC(C)C1(C)C(=O)OC(C)(C)CN1C,1,GDB ChEMBL
285588,CCC1CC(C)(CC)C(O)CC(O)(C(C)C)C1,0,GDB ChEMBL
136658,CCOCC([NH2+]CCNC=O)C1COC(=O)N1,0,GDB ChEMBL
18710,CCC(CC(O)CO)C(C)([NH3+])CC[NH2+]C,0,GDB ChEMBL
34811,[NH2+]=C1NC2C(=O)NC1C(O)C(CO)OC2CO,0,GDB ChEMBL
180960,C=CCCC#CCC([NH3+])C(C)(C)C,0,GDB ChEMBL
333128,C1=CC2CC3[NH2+]CCCC2C3C1,0,GDB ChEMBL
365695,CNCC(C#N)(C(C)O)N(C)S(=O)(=O)CCO,0,GDB ChEMBL
193753,CC(O)C1c2ncsc2CN1CC[NH3+],0,GDB ChEMBL
81470,CC1=CC[NH+]2CCC(C)C3(CC3)C(CC1)C2,0,GDB ChEMBL
170426,COC(=O)COC(C)(C)C[NH2+]CC#CC#N,0,GDB ChEMBL
276175,CC1C2CC([NH3+])C(OCC3CC3)C1CC[NH2+]2,0,GDB ChEMBL
348807,N#CC(CO)OCc1c(Cl)ccc(CO)c1N,1,GDB ChEMBL
312835,CC1CCC2CC[NH+](C1)CC2C1(C#N)CO1,0,GDB ChEMBL
51348,CCCC1C[NH2+]CCC2C(C)CC(O)COC12,0,GDB ChEMBL
223303,C[NH2+]CC12COC(C(C)C)CC1N(C)C2,0,GDB ChEMBL
269152,C#Cc1c(CC2CC2)ccc(C(C)C)c1I,1,GDB ChEMBL
357626,CC(=[NH2+])N1CCC=C(C)C=CCCCC1C,0,GDB ChEMBL
70081,CCC1[NH+](C)CC2CC(C)C3CC231,0,GDB ChEMBL
39743,COCCN1C(=O)C2CC13CN2C3,0,GDB ChEMBL
234421,C=CCC1[NH2+]CC1CCC(=O)CC,0,GDB ChEMBL
221392,Cn1nc(CO)cc1C(N)=[NH2+],0,GDB ChEMBL
7412,CNC(=O)C[NH2+]C(C)C1COC(=O)C1,0,GDB ChEMBL
270056,CC#CCC1([NH2+]CCC)CCC1,0,GDB ChEMBL
304860,C=CC1(N=C(N)OCCCC)CC1,1,GDB ChEMBL
70826,CC1([NH2+]CC(O)CCO)CC1,0,GDB ChEMBL
396719,NC(=NCC[NH3+])c1cnc2[nH]ccc2c1F,0,GDB ChEMBL
204371,C#CCCNC(C#N)CC(=[NH2+])NCC(N)=O,0,GDB ChEMBL
184465,CC(CNC=O)OC1CN(C)C(=O)NC1C[NH3+],0,GDB ChEMBL
43541,CC1CCCN1C12CC[NH2+]C1C2O,0,GDB ChEMBL
44630,CCCC1C[NH+]2CC3CCC2C13,0,GDB ChEMBL
101476,CCC#Cc1ccc(Cl)c2c1CC(=O)C2=O,1,GDB ChEMBL
101007,C[NH+]1CCC1C1CCC(N)C(=O)O1,0,GDB ChEMBL
203316,C#CCCC(C)=CCCC(=C)CC,1,GDB ChEMBL
112506,Cc1nc(O)c(C(C[NH3+])CO)nc1CC[NH3+],0,GDB ChEMBL
304881,C#CCC(CC=O)NC(=O)N1CCN=C1N,1,GDB ChEMBL
115570,CC1[NH2+]CC2(O)C1C21CCNC(=O)NC1,0,GDB ChEMBL
274098,NS(=O)(=O)OCC1=CC(O)CC(=O)N1,1,GDB ChEMBL
261327,[NH3+]C1c2cnc(CO)n2C1CCC(=O)[O-],0,GDB ChEMBL
48460,CCC(O)(CC(C)C)CC1(C)OCC(C)C1=O,0,GDB ChEMBL
241140,CCOC1C2CN2CC1(C)CC1CC1,0,GDB ChEMBL
151272,CCC1(O)CC2(CO)CC[NH2+]C1C2C(=O)[O-],0,GDB ChEMBL
46054,N#CC(N)c1cnc(CO)csccc1N,0,GDB ChEMBL
98571,CC1C[NH+](C)CC([NH3+])C2CC2C1C,0,GDB ChEMBL
298956,CCCOCC1CC([NH2+]C)C(C)(CO)O1,0,GDB ChEMBL
241159,C[NH2+]CC1C(N)C(=O)N2CC12,0,GDB ChEMBL
372148,CC1NS(=O)(=O)C(C[NH3+])CC[NH2+]CC1O,0,GDB ChEMBL
134420,CN1CCOC2(CCC(O)C([NH3+])C2)C1=O,0,GDB ChEMBL
358305,CC(NC(N)=O)C(C)(C)CO,1,GDB ChEMBL
343223,CC(CCO)OC(C=O)C(C#N)C(C)C,0,GDB ChEMBL
115049,COCCN1C2CC(C)(O)C21,0,GDB ChEMBL
140123,COC(C)C(C#N)COS(N)(=O)=O,1,GDB ChEMBL
252532,C#CCC1CC(C#C)CC(C)[NH+](CCCC)C1,0,GDB ChEMBL
190008,C#CCCC(C)(C#N)C(=O)CC,1,GDB ChEMBL
35283,Clc1cccc(C23C=CC4CCC2C43)c1Cl,0,GDB ChEMBL
300119,CCn1cnc2c(C#N)cc(C=O)c(Br)c21,1,GDB ChEMBL
142560,C[NH2+]CC1CC2C(C)C1C[NH+]2C,0,GDB ChEMBL
194477,CC[NH2+]CCOC(=O)NC,1,GDB ChEMBL
106634,c1ncn(C2CC2)c1CC1CO1,1,GDB ChEMBL
174252,COC1CC1C(=O)OC1CC[NH2+]C1,0,GDB ChEMBL
201661,CNC(=O)C1NC(=[NH2+])C2C1N2S(C)(=O)=O,0,GDB ChEMBL
207016,CC1CC([NH3+])CC(O)C(C#N)C(C)C1,0,GDB ChEMBL
173991,CC1(OC(=O)NC(=N)N)CCC1,1,GDB ChEMBL
393540,CC1CC2NC(=O)COC1C2[NH3+],0,GDB ChEMBL
95170,COC1C2C(C)CC[NH+](C)C1C1CC2C[NH2+]1,0,GDB ChEMBL
148962,COC1CC(O)C2NC1C2=CC#N,0,GDB ChEMBL
23528,COC1C(C)OC(CNC(N)=[NH2+])C1[NH3+],0,GDB ChEMBL
392533,COC1CCC2C=C(C)CCC(C)C21,0,GDB ChEMBL
195372,CCC1CC2(CC(O)C[NH+]2C)C(=NO)CO1,0,GDB ChEMBL
347993,NC(=O)C1CC(O)C2C(CO)C2[NH2+]1,0,GDB ChEMBL
387106,C1=C2CCCCC2C(CC2CCCCC2)C1,1,GDB ChEMBL
102109,Ic1cccc2c1C1CC=CC(CC1)CN2,0,GDB ChEMBL
125569,C#Cc1cc(CCN2CC2)ccc1Br,1,GDB ChEMBL
354071,CC(C)(C)CC1CC(C)(C)C=C1CO,0,GDB ChEMBL
220132,CC1[NH+]2CCNC(C#N)C1(N)C1CCCC12,0,GDB ChEMBL
148961,NC1C(O)C1N1C(=[NH2+])NCC1C(=O)[O-],0,GDB ChEMBL
225481,C#CC1Cc2ccc(Br)cc2N1C(C)C,1,GDB ChEMBL
119662,CCC1(O)C2C1(OCC(=O)[O-])CCS2(=O)=O,0,GDB ChEMBL
130470,CC[NH2+]CCC(C)C1CC2CCC([NH2+]1)C2(C)C,0,GDB ChEMBL
132479,CC1(CO)OC(=O)C2C([NH3+])C2C1O,0,GDB ChEMBL
155771,CN1CCC(NS(C)(=O)=O)=CN(C)C(=O)C1,0,GDB ChEMBL
353230,[NH3+]CC1CC(O)C(O)C([NH3+])C(CO)N1,0,GDB ChEMBL
177055,Nc1cccc(F)c1Nc1cc[nH]c1,1,GDB ChEMBL
130213,NC(=[NH2+])NCc1cc(O)nc(O)n1,0,GDB ChEMBL
75807,C#Cc1ccnc(C(N)=O)c(=NC(C)CC)c1,0,GDB ChEMBL
118473,C#CC1=CCC(CCc2ccccc2I)C1,1,GDB ChEMBL
38558,N#Cc1snnc1C(=O)OCCO,1,GDB ChEMBL
61285,C[NH2+]C1(C)CC(O)C(=O)OC(C[NH3+])C(C#N)C1,0,GDB ChEMBL
28327,COCC(=N)NC(=N)N(C)C=O,1,GDB ChEMBL
261157,CC#CC(C#CC(C)C)OC(=O)CCCO,0,GDB ChEMBL
11430,CC1C([NH3+])C2C(O)C1C1C2CCOCC[NH+]1C,0,GDB ChEMBL
124237,C[NH+]1C2CCC(C(C[NH3+])C2(C)O)C1(C)C,0,GDB ChEMBL
100703,COC(=O)C(C(C)O)C(O)C1(C)CN1C,0,GDB ChEMBL
214006,CC(O)CC1(C)C(C)CCC(C)C1O,1,GDB ChEMBL
344316,COC1C[NH+]=C(N)NC1C,0,GDB ChEMBL
5302,CCC1(C)CCCCCC(C)(C)CCC([NH3+])C1,0,GDB ChEMBL
391436,CC1OC(=O)[C-](C#N)C(O)C1NC(N)=O,0,GDB ChEMBL
247348,CC1CC(C#N)C2(C)CC(NC(N)=O)CC12,1,GDB ChEMBL
370367,CC(C)C1(C[NH3+])CCC(O)C1OCC[NH3+],0,GDB ChEMBL
104687,N#CC12CCNC(=O)C(N)C1N2,0,GDB ChEMBL
274081,CCCC(C)CC(C)CO,1,GDB ChEMBL
97768,CC[NH2+]C1CC(C)CC(CC)C1CC,0,GDB ChEMBL
190274,C[NH2+]C1C2CCC3(C#N)C(=O)OC(C21)C3O,0,GDB ChEMBL
386192,CC(=O)NC1(C=O)CC1CC#N,1,GDB ChEMBL
38741,CCc1ccc[nH]ccc2sccc12,0,GDB ChEMBL
365806,CCC1(O)C=CCCC1C[NH3+],0,GDB ChEMBL
115233,CCC1([NH+](C)C(C)(C)C)CCOC1,0,GDB ChEMBL
361611,CC[NH2+]CC(=O)C(O)C(O)(CC#N)C(N)=O,0,GDB ChEMBL
130604,C#Cc1c(N)ncc(C(=NC)OCC)c1F,0,GDB ChEMBL
221958,C#CC(CC)CC1(C)C=CCCCCC1,1,GDB ChEMBL
362595,O=C1CNCC(O)C2NS(=O)(=O)C3C(N1)C23,0,GDB ChEMBL
149292,CC(O)C1CC2CC(C)(CC2C)O1,1,GDB ChEMBL
215354,Cc1c(C(=O)[O-])cc2n3c(nnc13)NC2,0,GDB ChEMBL
1046,CCC(O)C([NH3+])C1(C)COC1,0,GDB ChEMBL
130419,CCCCCCC1CC2(CC=CC2)C1,1,GDB ChEMBL
23994,CNC(=O)c1cc(N)c[nH]c1=O,1,GDB ChEMBL
221370,CC(C#N)N(C)C(C)C[NH3+],0,GDB ChEMBL
71256,CC1NC(N)=[NH+]C1CS(N)(=O)=O,0,GDB ChEMBL
38159,CC(=O)CC(O)C(C)C(C)C1CCCCCC1,1,GDB ChEMBL
244677,CCCC[NH+]1CC(C(C)CCC[NH2+]C)CC1C,0,GDB ChEMBL
309679,CNc1n[nH]nc1NC(C[NH3+])C(=O)[O-],1,GDB ChEMBL
313738,CCCC1CC(C)=CCCC(C)C2CC2C1,0,GDB ChEMBL
152518,CC(C)([NH3+])CC1CC=CC(C)(C)CCC[NH2+]1,0,GDB ChEMBL
398900,CC1=CC(C)CC(C)(C2(C)CCCC2)C1,0,GDB ChEMBL
199475,CN=C(C[NH2+]C)N(C=O)C(=O)c1cscn1,0,GDB ChEMBL
208570,CN1CC2(CC1=O)OCOCC2[NH3+],0,GDB ChEMBL
94856,CCC1[NH2+]C2CCNC(C2=O)C2CCC1(C)C2,0,GDB ChEMBL
338913,CN1CC(N)C(=O)NC(=O)CC1=[NH2+],0,GDB ChEMBL
325738,CCC(=O)C(O)C1C2CC(C)C(CC)[NH+]1C2,0,GDB ChEMBL
398956,CCCC(C)C1=CC(C)(CC)CC([NH3+])C1,0,GDB ChEMBL
174792,CCC(C1CC(=O)NC(CCO)=N1)C(C)(C)O,0,GDB ChEMBL
255555,Cc1nc(N)oc1C[NH3+],0,GDB ChEMBL
147257,CC1CNC(N2CCOC2=O)=N1,1,GDB ChEMBL
34864,CC(Nc1cocc1N)C(=O)[O-],0,GDB ChEMBL
259361,CCC12CCC(OC)C(CC1C)C2,0,GDB ChEMBL
299164,CN(C(=O)OC(=N)CC[NH3+])c1ccc(Cl)nc1,1,GDB ChEMBL
16068,Cc1ccn(CC(O)C2(C=O)CC2)c1,1,GDB ChEMBL
318353,C#Cc1ccc(Cl)c(C2CC3CC3C2C)c1,1,GDB ChEMBL
116649,CC1C2CC(C(=O)C(=O)[O-])[NH2+]C12,0,GDB ChEMBL
269380,O=C([O-])C1CC2C3CCC1N32,0,GDB ChEMBL
392724,O=CC1CC(C2CCC[NH2+]2)CC1O,0,GDB ChEMBL
115426,CCOC(CO)C1C2CCN21,0,GDB ChEMBL
99128,CS(=O)(=O)NC1CC2NC(=O)C(O)C1C2[NH3+],0,GDB ChEMBL
271043,NC(=[NH2+])C1CNC(CC(N)=O)CN1,0,GDB ChEMBL
22011,CC(=O)C1CCOCC(O)C(O)CC1,0,GDB ChEMBL
51405,CC[NH2+]C1CC1(N)C(O)COC,0,GDB ChEMBL
375437,CCC(C)CN(C=[NH+]C)CC(O)CC,0,GDB ChEMBL
262256,C#CC(C)c1ncc2c(c1Cl)CC(C)[NH2+]C2,0,GDB ChEMBL
132864,COC1(C)CC[NH+](C)CC(O)(C(O)C[NH3+])C1,0,GDB ChEMBL
284290,C[NH2+]C1CC(O)C2(O)C(=O)NC(CO)C12,0,GDB ChEMBL
277662,N#Cc1cc2c(s1)COCC2,1,GDB ChEMBL
300147,NC(=O)CC(O)C1OCC2C([NH3+])C21,0,GDB ChEMBL
148186,C=CCC(N)C(=O)NC(=O)S(=O)(=O)[O-],0,GDB ChEMBL
85052,CCCCc1ccc(F)c(C[NH3+])c1NCC,1,GDB ChEMBL
285072,CCCCC1C(CC)C(C)C1(C)C,0,GDB ChEMBL
18345,CC1C2CCOCC[NH2+]C12,0,GDB ChEMBL
346513,CCC(C)C1(C(CC)C(F)(F)F)CC1,0,GDB ChEMBL
95524,CC([NH3+])C1C(C)CC2OCCCCC21C,0,GDB ChEMBL
221161,C#CC(C)(C)c1cc2c(c(CC)c1C)CCC2,1,GDB ChEMBL
276276,NC(=O)N1C2C3COC(CO3)C21,0,GDB ChEMBL
296605,CC1=CC23CCC(CC2)C3(C)CC1,0,GDB ChEMBL
203113,C#CC(C#N)(CCC)C(CC)CC(O)CCC,0,GDB ChEMBL
85017,CCc1c(Cl)cc2c3c1C=CCC3CC2,1,GDB ChEMBL
130376,Nc1c[n-]c(=[NH2+])nc1N(C=[NH2+])CCCC(=O)[O-],0,GDB ChEMBL
392775,C[NH2+]CC1OC=Nc2ncccc21,0,GDB ChEMBL
363212,CC(C)(O)c1cc(Cl)ccc1Cl,1,GDB ChEMBL
34877,CC[NH2+]C1CC2CC2C(C)CC1=O,0,GDB ChEMBL
358132,CCCNC(=[NH2+])[C-](C#N)N=C(N)CO,0,GDB ChEMBL
375746,CC1C(C#N)C2(O)CC(=O)NCC23OC13,0,GDB ChEMBL
380618,CNc1c(N)cc2nc(COC)nnn12,0,GDB ChEMBL
103901,CC[NH+]1C2CC=C(C)CC1CC2,0,GDB ChEMBL
284883,CCC(CC)CC1C(C)C1CC(C)C,1,GDB ChEMBL
280860,N#CC12C3CCC(CO3)[NH2+]CC1C2O,0,GDB ChEMBL
157478,C#CC1=CCOC(C)CC1,1,GDB ChEMBL
314916,CC1OC(=O)C2(CC#N)COCC1OC2C,0,GDB ChEMBL
173123,C[NH2+]C1CC(C)C(O)CNC1C,0,GDB ChEMBL
276161,C#CC(CC=CCCC)C(C)C=C,1,GDB ChEMBL
360958,C#CCCN(CCC)C(C#N)C(F)(F)F,1,GDB ChEMBL
13891,CC1(C)CC[NH+]1CCC(CCC(=O)[O-])=NO,0,GDB ChEMBL
354094,CCc1c(C#N)ccc2c1CC1(CC2)C[NH2+]1,0,GDB ChEMBL
151724,C#Cc1c(=O)[nH]cc2c(Cl)ccc(C#N)c12,1,GDB ChEMBL
135447,CC1C=CC[NH+]2CC(C)CCCC2(C)C1,0,GDB ChEMBL
81743,N#CCCC(=NO)C1=CCC[NH2+]CC(=O)N1,0,GDB ChEMBL
385421,COC1CC2CCC(CO)(CCO)C2CC1C,0,GDB ChEMBL
50217,CC1CCC2(C)CC(O)C(C)(C)C1[NH+]2C,0,GDB ChEMBL
203810,C#Cc1cc(C)c(C)c(C[NH3+])c1,1,GDB ChEMBL
348653,C#CC(C)CCCC1C(C)C(C(C)C)C[NH+]1C,0,GDB ChEMBL
273819,C[NH2+]CC(OC(N)=O)C(=N)N(C)C=O,0,GDB ChEMBL
273452,NC(=O)C(=CCOS(N)(=O)=O)C(N)=O,1,GDB ChEMBL
190453,O=C1OC(CO)C(O)C(CO)N2CC12,0,GDB ChEMBL
30310,CN(CCO)C(=O)CNC(=O)CC(C)(N)C[NH3+],0,GDB ChEMBL
234986,CCOC1C2C[NH2+]CC(C2=O)C2OC12,0,GDB ChEMBL
249444,CCC1[NH2+]CCC([NH3+])C1O,0,GDB ChEMBL
36058,Cc1n[nH]c(=O)c(C(C)(C)NC(=O)CO)c1N,0,GDB ChEMBL
50295,CCCCC1CC2(C(C)C)CC1C(CCC)[NH2+]2,0,GDB ChEMBL
392761,C#CC1NCCC[NH2+]C1C,0,GDB ChEMBL
352635,C#Cc1cc(C(C)C)cc(C#CC)c1Br,1,GDB ChEMBL
371714,CCCC1(C)c2cccc(Cl)c2C2CC21C,0,GDB ChEMBL
338823,CCC1CC2(C)CNC(=O)CC=CC1C2,1,GDB ChEMBL
386426,CC(C(N)=[NH2+])C(=O)Nc1ccnc(NC=N)n1,0,GDB ChEMBL
308685,CC(C)C(=O)c1c[nH]cn1,1,GDB ChEMBL
333090,CCc1oc(C)c2c1NCCC2,1,GDB ChEMBL
175869,CN1C(C=O)COCCN2CC(C2)C1C#N,0,GDB ChEMBL
104968,CC(C)(N=C1NCC(=O)N1C=O)C(N)=O,1,GDB ChEMBL
149361,O=S1(=O)CCCC(O)C(O)CN1,1,GDB ChEMBL
246989,CC(C#N)N1CC(=O)c2cn(C)cc2C(O)C1,1,GDB ChEMBL
203584,CCCc1c(I)cc(C(F)(F)F)c(N)c1C,1,GDB ChEMBL
259461,CCCCCC1=C(CC)C(C)CC1(C)C,1,GDB ChEMBL
93733,COCCOCC(N)C(O)(C[NH3+])C(C)[NH3+],0,GDB ChEMBL
215369,COC1C2CCC(C)C1[NH+]1CC[NH2+]C2C(C)C1,0,GDB ChEMBL
213992,CCOCC1(C=NO)CC(OC)CC(C)[NH2+]1,0,GDB ChEMBL
10590,CC(C)[NH2+]CC#CCC=O,0,GDB ChEMBL
195332,CC(C)CC#CC1(CO)CC1,1,GDB ChEMBL
273390,c1csc(C2CC3(CC3)C2)c1,1,GDB ChEMBL
317179,C[NH+]1CC2OC3C(O)C2CCC31,0,GDB ChEMBL
42252,CNCC1(C#N)CNCC(C)C[NH2+]C1,0,GDB ChEMBL
51036,C#CC(CC)N(C)c1cn2c(c1C)CCC2,1,GDB ChEMBL
222208,C=CC([NH3+])C(CC(=O)[O-])OC(C)=O,1,GDB ChEMBL
67569,C#CC1NC(CC([NH3+])C(=O)[O-])C2(C)OC12,0,GDB ChEMBL
51017,NC(=[NH2+])N(CC(N)=O)C1C(=O)OC1C=O,0,GDB ChEMBL
280601,CC#CC[NH+](C1CC1)C1(C)CC=CC1,0,GDB ChEMBL
375875,CC(O)C(C)(CS(N)(=O)=O)C(N)=O,0,GDB ChEMBL
258265,CC[NH+]1C(C)C1C1CC(C)(C)CCC1C,0,GDB ChEMBL
40424,Cc1cc(C2CC2)c(I)cc1O,1,GDB ChEMBL
142551,CC=CC1C(C)CCC1C([NH3+])CC,0,GDB ChEMBL
280467,COCC1C(C)C[NH2+]C2CC(C)C1C2(C)C#N,0,GDB ChEMBL
68497,N=C1NC(C(N)=O)C(C(N)=O)NC1=[NH2+],0,GDB ChEMBL
5340,CC1OC2C3N(C)C(=O)NC23CC1O,0,GDB ChEMBL
308256,CC1C(O)C23CCC(C)C2(C[NH+]1C)O3,0,GDB ChEMBL
9842,Cc1ccnc2c1C=C(C#N)C2C,0,GDB ChEMBL
383670,C1=CC2OCC3(c4ccccn4)CC3C2C1,0,GDB ChEMBL
188465,CCCNC(=O)NC(C)c1ncc([O-])c(=O)[nH]1,0,GDB ChEMBL
315176,CCC(C[NH3+])OC1C(O)C1O,0,GDB ChEMBL
227639,CCC1OCC2CC(C)([NH3+])CC(N2)C1C#N,0,GDB ChEMBL
184472,CCS(=O)(=O)CC1(C)CCCCO1,1,GDB ChEMBL
305068,COC1CCC(C)(N2CC2)CC(C)([NH3+])C1,0,GDB ChEMBL
308716,C=C1NC(=O)NCC[NH2+]C1C(=O)[O-],0,GDB ChEMBL
137418,CC1(C)CCC2CC(=O)NC2(C2(O)CC2)C1,0,GDB ChEMBL
377292,C#CCOC(C[NH+]1CCC1)C(C)(C)[NH3+],0,GDB ChEMBL
320277,O=C([O-])CC1C=C2C(=O)OCCC2CCO1,0,GDB ChEMBL
352865,CS(=O)(=O)NC1C(O)CC2CC21,1,GDB ChEMBL
220135,N#Cc1cn(C(N)=O)c(C(=O)[O-])c1C(=O)C=O,0,GDB ChEMBL
198821,C#Cc1cccc(C)c1C(CC)(CC)C(C)C,1,GDB ChEMBL
230520,COC1C2CC(CC(C[NH3+])C2O)C1C(C)(C)C,0,GDB ChEMBL
152528,CC1CC2C([NH2+]CCC(=O)[O-])C2(O)C1,0,GDB ChEMBL
223547,CC#Cc1cccc(Br)c1CN1CC1,1,GDB ChEMBL
304171,CCOC(CCO)C[NH2+]C,1,GDB ChEMBL
132560,CC[NH+]1C(C)CCC1(CO)C1CC1O,0,GDB ChEMBL
274054,CC1OCC2C1CC21CC[NH2+]CC1,0,GDB ChEMBL
207334,CCC1(C(=O)OC)CC=C(C)NS(=O)(=O)C1,0,GDB ChEMBL
254989,Cc1cc(CC2(C)CN2)no1,1,GDB ChEMBL
184116,CCCCC1(OC(C)(C)C)CC1,1,GDB ChEMBL
115590,CCC1CCCCC#CC(C)CC1,1,GDB ChEMBL
137452,CN=C(OCCC[NH3+])c1c(C)cc(C)cc1F,0,GDB ChEMBL
259674,CC1CC2C(C)CC(C3CC3)=CC2[NH+](C)C1,0,GDB ChEMBL
216559,C#CC(CCC)C[NH2+]CCC,0,GDB ChEMBL
354374,Cc1c(CC#N)ccn2c(C)cnc12,1,GDB ChEMBL
270032,C#CCCC(OCCCO)C(C)O,1,GDB ChEMBL
4942,COc1cnc(=O)[nH]c(=O)c1,0,GDB ChEMBL
199434,CCNC(=O)CNc1nc(Cl)cc(OC)n1,1,GDB ChEMBL
207908,[NH3+]CC1(O)CC(O)C2CC(C1)C1CCC[NH+]2C1,0,GDB ChEMBL
184127,CC(C)(O)C(N)C#N,1,GDB ChEMBL
384803,N#CC1NC(CC(=O)[O-])CC2NC(=[NH2+])NCC12,0,GDB ChEMBL
230724,COCC1CC(C)CC2[NH2+]C12,0,GDB ChEMBL
255082,CCCC(O)CC1CCC(C)C(C)C1C,1,GDB ChEMBL
324310,CS(=O)(=O)[N-]C12C3NC(=O)C1(O)COC32,0,GDB ChEMBL
358879,CC[NH+]1CC2(C)CC3CCCC3C1C2,0,GDB ChEMBL
151145,CCCC1=CC(O)(CO)CC(C)C1(C)CC,0,GDB ChEMBL
318765,CC(CO)CC(C)C([NH3+])C1(O)CC[NH2+]C1,0,GDB ChEMBL
33231,C#CCCC(=[NH2+])NCCCO,0,GDB ChEMBL
365827,CC([NH3+])C(NS(C)(=O)=O)c1cc(C#N)no1,0,GDB ChEMBL
337144,CCCC1C=CCC(C)=CCC1,1,GDB ChEMBL
306360,CCCC1CCCCC2C(C)C(CC)CC12C,0,GDB ChEMBL
256132,COC(=O)COc1c(Br)n(C)nnc1=O,0,GDB ChEMBL
200763,CCCCCCN1C(C)C1C1CO1,1,GDB ChEMBL
109777,COC12C[NH2+]C(C)CC1C(C=NO)OC2=O,0,GDB ChEMBL
382129,NC(=O)OC1CC2[NH2+]C(CO)C(O)C2O1,0,GDB ChEMBL
207393,C[NH2+]CCCC(C)c1cccc(F)c1OC=O,0,GDB ChEMBL
278165,N#CCC1CC[NH+]2CCC(C(=O)CO)(CC2)O1,0,GDB ChEMBL
107803,CCCC1CC2CC(C1)C(C(F)(F)F)C2,1,GDB ChEMBL
221922,CC1CC(C)C(C2C(C[NH3+])C2(C)C)CO1,0,GDB ChEMBL
398758,CC([NH3+])(CO)C1(C)CCC[NH2+]C1C(O)C(N)=O,0,GDB ChEMBL
191317,CC(C)C1[NH2+]Cc2nc(Cl)c(OCCO)cc21,0,GDB ChEMBL
346840,C#CC(C#N)C(C(CC[NH3+])COC)N(C)C=O,0,GDB ChEMBL
12727,CC1(CC(O)CO)CCO1,1,GDB ChEMBL
274128,CCc1cc(CC)c(N(C)C)c(Br)c1C,1,GDB ChEMBL
203628,CN1CC2(C(N)=O)C3C1C([NH3+])CC32[NH3+],0,GDB ChEMBL
334580,CCNC1(C#N)C(N)C1OC(C)CC[NH3+],0,GDB ChEMBL
311021,CC[NH2+]C(C)(C)C1C(=[NH2+])NC(CCC[NH3+])C1O,0,GDB ChEMBL
141721,CN=C1OC(C(=O)[O-])C([NH3+])CC1C,0,GDB ChEMBL
75025,CCC1(CC)C(=N)NC(=O)CNC1=O,1,GDB ChEMBL
271606,CCC#CC[NH2+]Cc1cc(Cl)cc(Cl)c1Cl,0,GDB ChEMBL
262232,C[NH2+]CCCC(C(=N[O-])S(C)(=O)=O)C(C)O,0,GDB ChEMBL
304347,Cc1cc(O)cc(N2C(=N)COCC2=N)c1,0,GDB ChEMBL
211140,CCC1C(O)(C[NH2+]C)CCCCC1(CC)CC,0,GDB ChEMBL
4840,Cc1nc(C2CCC2)cnc1O,1,GDB ChEMBL
230262,CC1C2([NH3+])CC(O)C(C(N)=O)C2NS1(=O)=O,0,GDB ChEMBL
21903,OCCN=C1CCC(O)CO1,1,GDB ChEMBL
18931,C#CC(CC)c1ccc(C(C)(C)C)c(C)c1F,1,GDB ChEMBL
379688,C#CC1CCC(C)Cc2c(CCC)cccc21,0,GDB ChEMBL
132889,CCC1CCC1(CC(C)C)CC1CC1,0,GDB ChEMBL
22593,C[NH2+]CC(C)(N)C[NH2+]C1CC1,0,GDB ChEMBL
118832,[NH3+]CCC([NH3+])C1C(O)CC2OC21,0,GDB ChEMBL
332363,CN1CC2OC3CCC([NH3+])C3C2(O)C1=O,0,GDB ChEMBL
260140,C#CC1(O)C(C(N)=O)CC2[NH2+]C1(C)CC2O,0,GDB ChEMBL
398885,C[NH2+]C(C)(C)C1CC=CC1CO,0,GDB ChEMBL
378604,CCC1CNCC(=O)N1CS(N)(=O)=O,0,GDB ChEMBL
148754,N=C1CC(OC(=O)CN)OC(CO)C(=O)N1,0,GDB ChEMBL
117370,CCC([NH3+])(CO)Cc1c(CO)coc1C(=O)[O-],0,GDB ChEMBL
292967,C#CC(CCC)CC[NH2+]C1CC(O)CN(C)C1,0,GDB ChEMBL
4766,C#Cc1c(CC)cc(C)c2c1C(C(C)C)CC2,1,GDB ChEMBL
317346,CCC1=CN(CC)C(=O)C=CC1,0,GDB ChEMBL
210949,COCC1C(O)CC2OC(=O)NC(C)C1C2O,0,GDB ChEMBL
44570,[NH3+]CCCCC1NC1(C[NH3+])CO,0,GDB ChEMBL
314153,O=C1c2sccc2OC2(C(=O)[O-])CC12,0,GDB ChEMBL
147965,CCC(C)(C)c1c[nH]c2cc(C)c(C)c(C)c12,1,GDB ChEMBL
351178,[NH3+]CC1C2[NH+]=CNC(C(=O)[O-])C12,0,GDB ChEMBL
22838,CCC([NH3+])C1=CC(C2CC2)[NH+]2CCCC2C1,0,GDB ChEMBL
26924,C=CCC(C=C)C(CC)C(C)CC,0,GDB ChEMBL
43951,CC1Cc2ccoc2CC(C)C2CC12,0,GDB ChEMBL
46871,O=C([O-])C1OS(=O)(=O)N2CCOCC12,0,GDB ChEMBL
343926,CC1CC2CCCC1(CC(C)(C)C)C2,0,GDB ChEMBL
234864,CCc1c(C2C(C)CCC2C)ccc(F)c1O,1,GDB ChEMBL
391430,CC#Cc1c(N)nc(OCC)n1C(C)=O,1,GDB ChEMBL
252327,CCOCC1CC([NH3+])C2C(CC)N12,0,GDB ChEMBL
136165,CC(CC=O)c1ccn(C)c(=O)c1,1,GDB ChEMBL
371705,CC(C)[NH+]1CCCCC(C)(C[NH3+])C1(C)C,0,GDB ChEMBL
245808,CCC1(CC)C2CC(C)([NH3+])CC21,0,GDB ChEMBL
18698,NC(=O)C1(CCO)NC1C#CCC[NH3+],0,GDB ChEMBL
366729,CC1OCC2CC21C(N)=O,1,GDB ChEMBL
286881,CCC(C)([NH3+])C(=O)Nc1cnc(O)nn1,0,GDB ChEMBL
98651,CC#CCOC(CCO)C(C)[NH3+],0,GDB ChEMBL
136437,C#CCN1CC2C(C=O)N2C(C(=O)[O-])C1=O,0,GDB ChEMBL
176513,CCn1c(O)c(CO)n(CC(=O)OC)c1=O,0,GDB ChEMBL
394315,CCC1CCCC2C(C)CC(CC)C2CC1,0,GDB ChEMBL
127487,C#CC1C(O)CCCCC1CC,1,GDB ChEMBL
229461,N#CC1=CCNC(=O)C1OS(N)(=O)=O,0,GDB ChEMBL
214902,COC(C[NH3+])CC1CC(C)[NH+](C)C1C1CN1,0,GDB ChEMBL
258711,CCCc1c(CC)c(Cl)cc(Cl)c1CC,1,GDB ChEMBL
284683,CN1CC(O)CC(NCS(=O)(=O)[O-])C1=O,0,GDB ChEMBL
29441,CC1(C(N)=[NH2+])CC(O)C(CO)CCCCC1[NH3+],0,GDB ChEMBL
277704,CCC[NH2+]CC1CN1,0,GDB ChEMBL
53029,C#CC1(C(C)C(=O)[O-])CNCC([NH2+]C)C1,0,GDB ChEMBL
291917,CC(Cc1ncns1)C(=O)[O-],1,GDB ChEMBL
202813,CCOC(=O)C1C(=O)NC1S(N)(=O)=O,0,GDB ChEMBL
29812,CC(O)CC(C(N)=O)C(=O)C1C[NH2+]C(C)CN1,0,GDB ChEMBL
170093,[NH3+]CC1=NC(C(O)CO)CC(C(=O)[O-])N1C=O,0,GDB ChEMBL
98566,CNC(C#N)C(=O)OCCO,1,GDB ChEMBL
249863,COC(CCS(=O)(=O)[O-])C(O)C#N,0,GDB ChEMBL
173163,CC(C)(CCC[NH3+])OC1CC1NCC#N,0,GDB ChEMBL
268153,C[NH2+]CC1OC(C)C2(C#N)CC1C2[NH3+],0,GDB ChEMBL
49158,CCCOC1C=CC(OC)C1=NO,1,GDB ChEMBL
366924,CC(O)CC1CCC2CC3CCCCC3(C)C12,0,GDB ChEMBL
238014,NC(=O)C1NC(=O)OC12CC2[NH3+],0,GDB ChEMBL
95921,CCC(=O)CCC1(C)CC2(C)OC2CC1C,0,GDB ChEMBL
260745,CCOC(=O)c1nc(O)nc(Cl)c1NC,1,GDB ChEMBL
140146,CC([NH3+])C12C[NH2+]CCC1C2(C)C(N)=O,0,GDB ChEMBL
368428,CC(C)C1[NH2+]C2C(N)CC1C2O,0,GDB ChEMBL
62799,CCC(O)CC1C=C(C)C(OCC(C)[NH3+])C1,0,GDB ChEMBL
391655,Cc1ccc2c(cnn2C)c1Cl,1,GDB ChEMBL
226241,C#CCCC1C(C)CC2C=CCN1C2C[NH3+],0,GDB ChEMBL
112346,CCC(C(C)=O)C(C#N)CCCO,1,GDB ChEMBL
149939,CC(CCC#N)(CCC#N)C1CC(=O)C(=O)C1,0,GDB ChEMBL
235980,CCC(=O)NCc1ccc[nH]c(O)ccc1C,0,GDB ChEMBL
259569,C#CCC1(O)CCC(CO)C1,1,GDB ChEMBL
300696,[NH3+]C1COCC1(CCO)CC1CC1,0,GDB ChEMBL
377775,CC1(C)NC(=O)C2OC(=O)C3C=CC1C32,0,GDB ChEMBL
164696,CN(CC1C([NH3+])CC1NC(N)=O)C(N)=[NH2+],0,GDB ChEMBL
255154,O=C1OC(CO)CC(O)C12COC2,0,GDB ChEMBL
87518,Cc1cc(C(=O)NCS(N)(=O)=O)no1,1,GDB ChEMBL
76686,CC1CCCC1C1C(C)CC2C[NH+]1CCCO2,0,GDB ChEMBL
67629,N#CC1C([NH3+])CC2(C[NH3+])CN2C1C(=O)[O-],0,GDB ChEMBL
215299,COCCC(O)C(CO)OS(N)(=O)=O,1,GDB ChEMBL
233916,CNC(=NCc1ncco1)NC(N)=O,1,GDB ChEMBL
130442,NCC(=O)NC(=O)c1oc([O-])nc1C(=O)[O-],0,GDB ChEMBL
235985,CCC1(C)CC2[NH2+]C1CC2C,0,GDB ChEMBL
296373,Cc1cc2c(cc1Cl)C1CC=CC1=C2,1,GDB ChEMBL
380621,CCC1C=CCC(C)(CCCC(C)C)C1,0,GDB ChEMBL
75839,CCCC(C)C(C)(C)c1c(F)ccc(F)c1C,1,GDB ChEMBL
23469,COC1OCCC[NH+]=CNC(=O)C1O,0,GDB ChEMBL
58470,CC12C=C(CC(O)CCC1=O)C(CO)C2,0,GDB ChEMBL
301463,[NH3+]CC(C([NH3+])C(=O)[O-])N1CC1,0,GDB ChEMBL
309191,NC(N)=[NH+]C(C(=O)[O-])C1OCC([NH3+])C1O,0,GDB ChEMBL
97167,CCc1cc2c(o1)CCC(C(C)C)N(C=O)C2,1,GDB ChEMBL
227617,CC(=O)NC=NC(C[NH+](C)C)C1(C)CCCC1,0,GDB ChEMBL
208369,CNc1cc(CC(N)=O)[nH]n1,1,GDB ChEMBL
305200,CN1CCCOCC(O)C(O)(C#N)C(=O)CC1,0,GDB ChEMBL
84958,CCCCc1c(Br)c(Br)cc(Br)c1C(F)(F)F,1,GDB ChEMBL
94857,N#CC1C(C[NH3+])N1C(=O)C(O)CO,0,GDB ChEMBL
225466,CC(O)C[NH+]=C(N)Nc1nc[nH]n1,0,GDB ChEMBL
334454,COC(=O)N(C)Cc1nc(N)no1,1,GDB ChEMBL
17525,COCC(C(=O)OC=N)C(C)(O)CC(F)(F)F,0,GDB ChEMBL
359062,CCC1CC(c2ccnc(Cl)c2CO)C1,1,GDB ChEMBL
106649,CN1CC(=O)C2C(CCS(N)(=O)=O)C(O)C21,0,GDB ChEMBL
116096,COC1C2CCC1C(O)CCNS(=O)(=O)C2,0,GDB ChEMBL
121723,CCC1COC(C(CC#N)C[NH+](C)C(C)C)=N1,0,GDB ChEMBL
264987,NC(=[NH2+])NCC1C([NH3+])C12CNS(=O)(=O)C2,0,GDB ChEMBL
186588,C#CC([NH2+]Cc1c(C)ccc(F)c1C)C(C)O,0,GDB ChEMBL
386428,O=CNCC1(CO)C[NH2+]CCC2CCC1C2,0,GDB ChEMBL
292194,C=C(C#N)C(=C)C1OCCNC1=O,0,GDB ChEMBL
366906,CC1CCCC(C#N)(C#N)C1N,1,GDB ChEMBL
80471,Cc1cc(Br)cc2c1OCC21CC(C)C1,1,GDB ChEMBL
298216,CC1CCC([NH3+])CC[NH+]2CCC1(CO)C2(C)C,0,GDB ChEMBL
81132,CCC1CCCCC2CC2O1,0,GDB ChEMBL
382088,CCOC1(C(C)(C)CC(=O)CC)CC[NH2+]C1,0,GDB ChEMBL
302274,C[NH2+]CCN(C(=O)OC)c1nc(O)n(C)c1O,0,GDB ChEMBL
34199,CCC1COCCCCCC[NH2+]CC(C)OC1,0,GDB ChEMBL
132516,CC1NC(=O)COC(=O)C1S(=O)(=O)[O-],0,GDB ChEMBL
387211,COC1C(N)C(NC(N)=[NH2+])C1C(O)C(=O)[O-],0,GDB ChEMBL
174633,C1=CC[NH+](CCC2C[NH2+]C2)CC1,0,GDB ChEMBL
302641,CCC(C)C1COC2CCCC2(C)C1,0,GDB ChEMBL
76928,C#Cc1c(CCCO)sc(C)c1C(O)COC,0,GDB ChEMBL
260677,CC(C)CC12CCCC1CC(C)C2,0,GDB ChEMBL
260163,CCC[NH2+]C1C2OC(C)CC(OC)(C1C)C2O,0,GDB ChEMBL
188083,[NH3+]C1CC(=O)OC2C1C2([NH3+])CCO,0,GDB ChEMBL
214415,CCc1ccc2nc(NC)c(Cl)nc2c1,1,GDB ChEMBL
318783,CCCCC1CC2CC=CC(C2C)C1CC,0,GDB ChEMBL
70075,CC(C(=O)[O-])=C1NC(=O)OC1C[NH3+],0,GDB ChEMBL
24066,CC1C=CC([NH+]2CCC2C)CC1CO,0,GDB ChEMBL
308194,CCC1(C)CC2C(O)C(C(=O)NC)CC21,0,GDB ChEMBL
193329,C#CC1=CCC2CC(C)(C)CCC2C1,1,GDB ChEMBL
314937,COC1CC(O)C2C(CCO)C2C1,0,GDB ChEMBL
43949,CC[NH2+]C(C)C(=O)C1(C(C)C)CCC1,0,GDB ChEMBL
323316,OC1CCNC2COC3CC1[NH2+]C23,0,GDB ChEMBL
23661,CCC1CC(CC(C)C)C2(C)CCCC12,0,GDB ChEMBL
283457,CNc1nsc(CCCC(N)=O)n1,1,GDB ChEMBL
289396,C[NH2+]C(C)Cc1c([O-])nc(=O)nc(O)c1N,0,GDB ChEMBL
160831,CCC12CC(C=CC[NH+](CCOC)C1)C2,0,GDB ChEMBL
372182,Cc1cc(I)cc(C#CC2C=CC(C)C2)c1,1,GDB ChEMBL
147862,CC[NH2+]C1CC2C[NH+](C)CC3C2C3(O)C1,0,GDB ChEMBL
123057,CC#CC(CO)(CC(C)C=O)C(=O)CCC,1,GDB ChEMBL
210398,CCC(C)(C(C)[NH3+])C(C)c1ccncc1,0,GDB ChEMBL
331690,CC(C)C12CCC(CO)(C1)C(NC(N)=[NH2+])CO2,0,GDB ChEMBL
152066,NC(=O)c1cc2c(cn1)NC(=O)OCC(N)=N2,0,GDB ChEMBL
235610,CCCc1cc(C)c(CCCC(C)C)cc1C,1,GDB ChEMBL
289809,C[NH2+]C(CCO)C(C)C(C1=[NH+]CCN1)C(C)C,0,GDB ChEMBL
56646,COC1(C)CC(O)C([NH3+])C1C,0,GDB ChEMBL
140806,CCCC(=N)OCC1CCC[NH2+]1,0,GDB ChEMBL
51839,CC1=CCCC([NH3+])C1CCO,0,GDB ChEMBL
53658,CC1CC=CCCCCCC(O)C1C,1,GDB ChEMBL
48462,CCC1[NH2+]C(C=O)CC1(C)C,0,GDB ChEMBL
286130,Cc1c(F)cc2c(c1O)OC1(C)CC2(C)C1,0,GDB ChEMBL
305094,CCC1C2CCC(C)C1CC2=O,1,GDB ChEMBL
151228,CC1NC1(COC(CO)CO)C(=O)[O-],0,GDB ChEMBL
259558,NC(=O)CC1CNC(=O)N2CC12,0,GDB ChEMBL
374378,CC(C)Oc1ncc(CC(C)C(N)=[NH2+])cn1,0,GDB ChEMBL
271098,CN1C(C(N)=[NH2+])C(O)C2C1C2(O)CC(N)=O,0,GDB ChEMBL
347924,COCc1[nH]ncc1C(C)OC,1,GDB ChEMBL
163873,CCC1CCC2(C1)CC1(C[NH3+])CCCCC1[NH2+]2,0,GDB ChEMBL
150129,C=CC(C(N)C#N)C(O)CC1CC1,1,GDB ChEMBL
298078,NCC(=O)OC1(C(N)C(N)=O)C(O)C1O,0,GDB ChEMBL
245495,Cc1nc2ccc1CC(=NO)C1CC(CN2)C1,0,GDB ChEMBL
149943,CCOCC1C(C(C)(C)O)N1C=O,0,GDB ChEMBL
163374,C#CCC([NH3+])CN(C=O)C1CC1,0,GDB ChEMBL
112793,CC(C)C(O)c1cncc(C2CNC(=[NH2+])N2)c1,0,GDB ChEMBL
300530,CN1CC(CO)OCOC1=O,1,GDB ChEMBL
164668,C#CCC1CCCCCCC(=O)C1,1,GDB ChEMBL
195208,CC1(OCCC#CCO)CC1,1,GDB ChEMBL
97128,CCN(CC(C=O)N(C)C)S(C)(=O)=O,1,GDB ChEMBL
330343,CCNC(=O)C(O)C(O)(C#N)C1COC1=O,0,GDB ChEMBL
178039,COC1CCC2CC1[NH+]=C2N,0,GDB ChEMBL
252647,CC12CCCN(C1)c1cccc(Cl)c1C2C[NH3+],0,GDB ChEMBL
170442,O=CC(O)C1C[NH+](CCC2CC2)CCCO1,0,GDB ChEMBL
215407,CC12CC3CCC[NH+](C3)C1C2O,0,GDB ChEMBL
297285,C=CC[NH+]1CC2CCC1C21OC1C,0,GDB ChEMBL
24533,CCC(C)c1cc2ccc(Cl)c(CC#N)n2c1,1,GDB ChEMBL
330158,Nc1nc(C[NH3+])cc(C[NH3+])c1NC=O,0,GDB ChEMBL
296984,CC1CC2CC(O)C(C(F)(F)F)C1C2,0,GDB ChEMBL
112370,CCCC1=CCCC2(CCCC2)CC1,1,GDB ChEMBL
354406,CC1OC2CCC(C2)C(O)C1C,1,GDB ChEMBL
147929,CCC1Cc2c(F)cc(C)c(C#N)c2N1,1,GDB ChEMBL
40290,CCC(C#CCCO)(CC)CC,1,GDB ChEMBL
271347,C#CCC([NH3+])CNc1ncc(C(C)O)s1,0,GDB ChEMBL
309210,COC1C(C(=O)[O-])OCC1(O)C[NH3+],0,GDB ChEMBL
118828,C[NH2+]CCCOC1(C)CC1,1,GDB ChEMBL
26042,[NH3+]C(CCC1=CCCNC(=O)C=C1)C1CO1,0,GDB ChEMBL
194474,CCCC(C)[NH2+]C1C=CC(C)(C)C[NH2+]CC1,0,GDB ChEMBL
194451,N#CC(CC(N)=O)C1(CN)CCCNC(=[NH2+])N1,0,GDB ChEMBL
29255,CC1CC2(C)CC3CCOC3CC1C2CC#N,0,GDB ChEMBL
280284,CN1C(=N)NC(CO)C2CC(C#N)C(N2)C1=O,0,GDB ChEMBL
26030,CCCC1(OC(C)=O)C2CC(C)CC(C2)C1C,1,GDB ChEMBL
305091,Cc1cccc2c1CC1COC2CCC(O)C1,1,GDB ChEMBL
58985,O=CNC(=O)NC(C=O)CN1CC(O)C1,1,GDB ChEMBL
255349,CCC(O)C1CCCC[NH+](C)CC(C)(O)C1=O,0,GDB ChEMBL
202464,O=C1CNCCC(COCCC2CC2)CO1,1,GDB ChEMBL
693,CC(=O)C1[NH2+]CC2(CC1O)CC2C,0,GDB ChEMBL
19612,C[NH2+]C1C2C(C(C)O)CC1(C)C2COC,0,GDB ChEMBL
298923,CC(=O)c1cc(C)c(CNCC#N)nc1Cl,1,GDB ChEMBL
208225,C#CCC(CC(F)(F)F)c1ccc(F)cc1,1,GDB ChEMBL
186720,CCNc1cc(OC2(C=O)CC2)nc(O)n1,1,GDB ChEMBL
241157,COCC1CC2(CC2)c2cccc(I)c21,1,GDB ChEMBL
358942,CC(C)C1C[NH+](C)CCC1C,0,GDB ChEMBL
12777,CCc1cccnc1C1(C)C=CC(O)C1,0,GDB ChEMBL
225052,C#CC(C)C1(Cc2cc(C)cs2)CC1,0,GDB ChEMBL
252911,CC1OCC2(O)C(=N)OC1C2CCCC(=O)[O-],0,GDB ChEMBL
76695,CC(CCO)NCS(N)(=O)=O,1,GDB ChEMBL
149996,NC(=O)C(CCO)[NH2+]C1CC1,1,GDB ChEMBL
186055,C[NH+]1CCC(=NO)C=C(N)C(NC(N)=O)C1,0,GDB ChEMBL
162512,CC1C2C(=O)N(C)C1(CO)C2(N)C#N,0,GDB ChEMBL
112643,C[NH2+]C1C=CCC2CC(C)CC21C,0,GDB ChEMBL
133956,C#Cc1cn(C)cccc(N)c(C[NH3+])n1,0,GDB ChEMBL
304115,CC1C(=O)Oc2ccccc2C2OC12C=O,0,GDB ChEMBL
38762,CCC(CC(C)C)C12CCC(CC1)[NH+](C)C2C,0,GDB ChEMBL
257457,[NH3+]C1CC2NC(=O)OC2OC(=O)NC1C(=O)[O-],0,GDB ChEMBL
330773,COCCC1=CCC(CO)CC1(C)[NH3+],0,GDB ChEMBL
174188,C=CC1(C(CC)[NH2+]C)CC1C(C)C,0,GDB ChEMBL
208573,CCC1CC2C(C)C2C(O)C[NH2+]1,0,GDB ChEMBL
381461,CCC1(C)CC(=O)C2C[NH2+]C(CCN2)C1CO,0,GDB ChEMBL
76388,C[NH2+]CC(O)C1C=CC2(C=O)COC12C,0,GDB ChEMBL
175876,Oc1cc2c(cc1Br)NCCC1(CC1)C2,0,GDB ChEMBL
370381,CC12[NH2+]C(CO)C1NC(=O)CCC2C(=O)[O-],0,GDB ChEMBL
233483,CC1NC(=O)NCC2(OCC2C)C1O,0,GDB ChEMBL
186023,CC1=CCC(C)(C)Oc2nc(C)ccc21,0,GDB ChEMBL
20753,O=C([O-])C1[NH2+]C2CCOC13C(O)C23,0,GDB ChEMBL
92849,C=CC(C)C1(O)CCC(OC)CC1,1,GDB ChEMBL
26352,CCC12CCC(CC1O)CC(C)(C)C2,1,GDB ChEMBL
308285,CC12C[NH2+]C(C1)C1CC(C2)OC1=O,0,GDB ChEMBL
274194,N=C(CC(O)C(=O)[O-])OC(=O)NC=O,0,GDB ChEMBL
140737,CCC(OC)C1C2C3NC3C12,0,GDB ChEMBL
375998,COC(C)C(C)(C#N)C(=O)N(C(C)=O)C(C)C,1,GDB ChEMBL
288941,[NH3+]C1C2CNC(C[NH2+]C2)C1O,0,GDB ChEMBL
173905,CCCC1(C[NH3+])CCC2C(C)CC(C)C21,0,GDB ChEMBL
4747,CC1(O)CC1(C#N)NC(=O)NC(N)=[NH2+],0,GDB ChEMBL
22582,CCC(CC)C1=CCC(C)C(C(F)(F)F)C1,0,GDB ChEMBL
99697,CC[NH+]1CC(C)(C)C(=O)C2C=CCC1C2,0,GDB ChEMBL
385591,Cc1nc(=O)c(CCOC(C)C(=O)[O-])cn1C,1,GDB ChEMBL
41640,O=C1COC2C(O)CNC(=O)C12,1,GDB ChEMBL
133367,CC12CC[NH+](C1)C2C(N)C(=O)[O-],0,GDB ChEMBL
223500,[NH3+]Cc1c(C(F)(F)F)ccsc1=O,0,GDB ChEMBL
279989,[NH3+]C1C=CC([NH3+])CC(O)C1,0,GDB ChEMBL
203509,CC1CC1C1CCC[NH2+]C1C,0,GDB ChEMBL
70109,CCCCC12CCC(CC(CCC)C1)[NH2+]C2C,0,GDB ChEMBL
179986,CCOCC(C)[NH+](CC)C(C)C,1,GDB ChEMBL
209863,CC(CCO)OC1(C=O)C2CC(=O)NC21,0,GDB ChEMBL
372777,CCC1CCCC1[NH+]1CC2CC=CC1C2C,0,GDB ChEMBL
132668,CCC(C(C#N)NC)C1(OC)CCCOCC1,1,GDB ChEMBL
33179,CC12CC(O)CC1C(=O)CCC2C1C[NH2+]1,0,GDB ChEMBL
125634,COc1c(O)cncc1CCCCOC(C)C,1,GDB ChEMBL
119679,CC1CC=CC(CO)=CCC1,0,GDB ChEMBL
308177,C#CCC(Cc1cc(F)c(C)c(CC)c1)[NH2+]C,0,GDB ChEMBL
204469,CNC(=O)COCc1cnc(Cl)c(Cl)n1,1,GDB ChEMBL
115207,CC(C)[NH2+]CCC(=O)C#N,1,GDB ChEMBL
1093,CCC1CCCC(CC(CC)(CC)CC[NH3+])C1,0,GDB ChEMBL
109167,C#CC1CC(CCC)CCC1C(C)(C)C,1,GDB ChEMBL
22793,CC1CCOC(C[NH3+])c2[nH]ccc2O1,0,GDB ChEMBL
53848,CCCC(C)C1C2CC(C)CC[NH+]1C(C)C2,0,GDB ChEMBL
235694,CC1[NH2+]CC2CCOC21CCS(N)(=O)=O,0,GDB ChEMBL
286869,COC1Cn2ncnc2C(C[NH3+])OC1CO,0,GDB ChEMBL
328926,CC(O)C([NH3+])C(O)CCS(=O)(=O)[O-],0,GDB ChEMBL
64109,C#CC([NH3+])C1CC(COC)C1,0,GDB ChEMBL
111499,CCC[NH+](C)CCCc1c(C#N)nnn1CC,0,GDB ChEMBL
6803,Cc1sc2ncc(C=O)cc2c1N,1,GDB ChEMBL
286297,CCC(C)(C)[NH2+]C1COCCNC1C,0,GDB ChEMBL
324014,N#CC1(C(=O)[O-])C(O)C([NH3+])C1O,0,GDB ChEMBL
216518,C#CC1(CC)C(C)(C)C([NH2+]CCO)C1(C)C,0,GDB ChEMBL
337417,C#CC1=CCC=CCCC1(C)C(C)C,1,GDB ChEMBL
130422,C[NH2+]Cc1c[nH]c(CC(=O)NCC(C)=O)n1,0,GDB ChEMBL
376665,CC[NH+]1CC2CCC(=O)N(C)C=CC1CC2,0,GDB ChEMBL
41098,N#CC1(C(=O)[O-])CS(=O)(=O)NCC2C(O)C21,0,GDB ChEMBL
146930,CC(C)CCC(C)(C)CCOC1CCC1,1,GDB ChEMBL
283245,CC(C)(C)C(O)C1C2C=CC1COCC2,0,GDB ChEMBL
74336,CC12CC1(O)C(C(=O)[O-])NC(=O)C2[NH3+],0,GDB ChEMBL
267357,COCC(C)(O)C1CC(=O)NC(=O)C1C(C)C,0,GDB ChEMBL
312183,CC(O)C(CNCC[NH3+])[NH2+]C1CC1(C)O,0,GDB ChEMBL
70133,C#CC(C(CC)OC)N1C(=O)C2CCC1C2,1,GDB ChEMBL
374374,C#CC1C2Nc3cc(F)c(C)cc3C1C2O,0,GDB ChEMBL
38492,COC1C(C)CC2OCC1C2(C)CCC(N)=O,0,GDB ChEMBL
5861,COCCNc1cc([N+](=O)[O-])no1,1,GDB ChEMBL
141851,C#CC1CC([NH2+]C)CCC[NH2+]C1CC1CC1,0,GDB ChEMBL
305197,CCN1C(=O)N(C)C2C([NH3+])C2C12CC2,0,GDB ChEMBL
312201,CCC[NH+]1CCC=C(C(C)[NH+](C)C)C1C,0,GDB ChEMBL
76099,CC12CNC(C=O)CC([NH2+]1)C(O)C2C(=O)[O-],0,GDB ChEMBL
209871,CC1CCOC2CC3CC2C1[NH2+]3,0,GDB ChEMBL
92860,CC1([NH3+])C2NC(C(=O)[O-])C(O)CCC21O,0,GDB ChEMBL
330956,Cc1ncc(C2C3CC(C)(C)[NH2+]C2C3O)s1,0,GDB ChEMBL
323995,Cc1n[nH]c(CN2CC(CO)C2)c1N,1,GDB ChEMBL
102324,CC1C[NH2+]C(CO)CC1Cn1cnc(CO)c1,0,GDB ChEMBL
235703,CCCC1(CC([NH3+])C(C)O)CN1,0,GDB ChEMBL
368206,CCC(C)([NH2+]CCO)C(CO)C(C)(O)CO,0,GDB ChEMBL
222564,CC(C)C(=O)CC(=O)CC(O)C#N,1,GDB ChEMBL
54796,C#CC1CC(OC)CC[NH2+]1,0,GDB ChEMBL
383717,CC12CC(CC1C(N)=O)C(=O)[N-]C2C#N,0,GDB ChEMBL
263282,CCCOC1C(CC([NH3+])CO)N=C(N)C1C#N,0,GDB ChEMBL
27018,O=C1NC2CCC(CO1)C2,1,GDB ChEMBL
355169,CN(CCC#N)C(=N)N1CC=C(CO)C1=O,1,GDB ChEMBL
333874,CCc1cnc(N)oc1=O,0,GDB ChEMBL
179467,CC(=O)Oc1ccc(Br)cc1,1,GDB ChEMBL
266251,C#Cc1cc(C=O)cc(OC(C)(C)C(C)C)c1,1,GDB ChEMBL
102144,CC#CC1(CC2CC2)C[NH2+]C1,0,GDB ChEMBL
273661,C[NH2+]CC1CC2CC1(NCC[NH+](C)C)C2,0,GDB ChEMBL
169457,CCCC1(OCC)CC=CCCC1CC#N,0,GDB ChEMBL
305121,CCOC(=N)CC(=N)NC(=O)CCO,1,GDB ChEMBL
175681,C#CCC(CCC)Cc1c(O)cc(C)cc1Cl,1,GDB ChEMBL
59721,CN1Cc2cc(CC=O)c(Cl)cc2C1=O,1,GDB ChEMBL
11399,NC1=[NH+]CC2OCCC(=O)OCC12,0,GDB ChEMBL
209848,C#CCC1CCC([NH2+]C(C)CC)C1C,0,GDB ChEMBL
147263,CN=C(OC)C(CC[NH3+])C1CCCC(C)(C)[NH2+]1,0,GDB ChEMBL
161808,CC(C)CN(C)C1=C(NS(C)(=O)=O)C(=N)OC1,0,GDB ChEMBL
122912,CCC1CCC2C(O)CC(C)(C1)C2CO,0,GDB ChEMBL
252726,CC1C2C(CCC(C)(C)C2[NH3+])NC(=O)N1C,0,GDB ChEMBL
152010,O=C1CC(CO)CC(O)C1O,1,GDB ChEMBL
153352,CCCCCCNC(=O)C1(O)CCOC1=O,1,GDB ChEMBL
393520,CCOCC[NH2+]CC(C[NH3+])C[NH3+],0,GDB ChEMBL
161938,C[NH2+]CC1CC2([NH3+])CC([NH3+])C1(C)C2,0,GDB ChEMBL
221911,C[NH+](C)CC(O)C(C#N)c1ccc(C(N)=[NH2+])s1,0,GDB ChEMBL
251832,C#CCC1C(=O)OCCN2C=[NH+]C(C)CCC12,0,GDB ChEMBL
398806,CC(C#N)N1CS(=O)(=O)CC1CNC(N)=[NH2+],0,GDB ChEMBL
34841,[NH3+]CC1C[NH+]2CC(O)C(O)C(O)C12,0,GDB ChEMBL
240015,C#CC1=C(CC(C)[NH2+]C)C([NH+](C)CC)CC1,0,GDB ChEMBL
345830,C#Cc1c(C[NH2+]C)ccc2c(Cl)cncc12,0,GDB ChEMBL
336633,CS(=O)(=O)CCN1CCC12CC2,1,GDB ChEMBL
21993,CCOC1CC(c2cc(C)c(F)c(N)c2)C1,1,GDB ChEMBL
276317,CCCC1(C(C)C)CC(C)C2[NH2+]CC1CC2C,0,GDB ChEMBL
311035,CC(C)CC1(C#N)CC1,1,GDB ChEMBL
366722,CC1CCCC(O)C12CC(C(F)(F)F)C2,0,GDB ChEMBL
255362,CCC(C)(O)CC1C2CCC(C)CC21,1,GDB ChEMBL
368527,COC1CN2C(C(C)(O)C1)C2(C=O)CO,0,GDB ChEMBL
338394,CNc1c[nH]ccc(O)cc(NCC(=O)[O-])n1,0,GDB ChEMBL
316470,CCC1CCC2CCC(C)C1C2(C)CC(C)C,0,GDB ChEMBL
349925,CC1=C(C)C2CCNC(=O)OC2C1C,0,GDB ChEMBL
80257,CCCC(C)C1(C)CCC2CCC1(C)C2,0,GDB ChEMBL
29762,CC(=O)N1CC(CC=O)NC2C(O)C21,0,GDB ChEMBL
214767,CCCC=CC1=CC(C)CCC=C1,1,GDB ChEMBL
127466,CC(C)(C)[NH2+]C1CC2[NH2+]CCCCC=C21,0,GDB ChEMBL
349674,C[NH+]1CCC2C(=O)CC=CC21,0,GDB ChEMBL
71652,CCCC1c2c(I)cccc2C2CC21,1,GDB ChEMBL
289973,CC1(O)C2COCCCC2C2CC21,0,GDB ChEMBL
85035,CC12CC[NH2+]C(CCC(C3CO3)C1)C2,0,GDB ChEMBL
254939,CNC(=[NH2+])C1(C)C[NH2+]C(C(=O)[O-])COC1,0,GDB ChEMBL
317203,CC1(C[NH3+])C(O)c2c(Cl)ccc3ncn1c23,0,GDB ChEMBL
375674,CCC1(O)C(O)C1C(=O)[N-]C(C#N)C=O,0,GDB ChEMBL
280480,CC1CCC2CC1C=CCC2O,1,GDB ChEMBL
34975,CC12C=CCC1CC=CCNC(=O)C2CO,0,GDB ChEMBL
17638,CC1=C(C)C(C(=O)[O-])CCC1,0,GDB ChEMBL
363189,CC(C)(C)C(C[NH3+])CC1CNC1=O,0,GDB ChEMBL
350303,CC[NH+]1C(C(N)=O)C2CC1(C)C2O,0,GDB ChEMBL
95931,CN1CC2CC3CC3CC(C)(O)C1C2=O,0,GDB ChEMBL
299989,COC1CC(C[NH3+])NCC2(C)C=CC1[NH+]2C,0,GDB ChEMBL
376018,COCC(C)([NH3+])C1OC(=O)NCC1CO,0,GDB ChEMBL
281965,N#CC1(C(O)CO)CC([NH3+])CNCC1(O)C[NH3+],0,GDB ChEMBL
176517,CC1CC([NH3+])COC12C(C)CC2C(=O)[O-],0,GDB ChEMBL
354052,CCCCC1CC=C(C)C2C(C)[NH2+]C2CC1,0,GDB ChEMBL
99427,CCc1csc2c(c(C)c(C)cc1O)C[NH2+]C2,0,GDB ChEMBL
162938,CNc1cc(=NC(C#N)C=O)c(OC)ncn1,0,GDB ChEMBL
288151,C#CC(C)c1cc(Cl)c(Cl)c(C(C)(C)CO)c1,0,GDB ChEMBL
299961,CC1OC2CCC3CC1[NH+](C)CC32,0,GDB ChEMBL
330891,CC[NH2+]CC1N=C(N)OCC([NH3+])CC1(C)C#N,0,GDB ChEMBL
99668,COC1C[NH2+]CC(C)C1C,0,GDB ChEMBL
244574,COCCN1C(C#N)C(C[NH3+])CS1(=O)=O,0,GDB ChEMBL
278825,CC(CNC(=O)C[NH3+])C1(O)CC1,1,GDB ChEMBL
120707,CCC12C[NH2+]CC1C2C(C)O,0,GDB ChEMBL
77551,CCCCC(N)=[NH+]CS(N)(=O)=O,0,GDB ChEMBL
834,C[NH+]1CC2CC3CCCC(=O)C(OC3)C2(C)C1,0,GDB ChEMBL
277920,CCCC(C)(O)CC(=O)CC1(C)C=CCC1,1,GDB ChEMBL
345524,Nc1ncc2nsc(N(C=O)CCO)c2n1,0,GDB ChEMBL
301389,CNC(=O)CNC(=[NH2+])Nc1ccn[nH]1,0,GDB ChEMBL
366759,C#CC1C(C)CNC(=O)C([NH3+])CC1C(C)OC,0,GDB ChEMBL
211094,C[NH2+]C(CN)C1(C)C=CCC(C)C1C,0,GDB ChEMBL
116050,CCCNc1nnnnc1NCC(N)=[NH2+],0,GDB ChEMBL
203638,[NH3+]CCN1C2C3CC(O)C21C(=O)O3,0,GDB ChEMBL
386407,CCc1[nH]c(C)nc1NC(=O)NC(=N)N,1,GDB ChEMBL
383277,CC(CC#N)CC1(C)CO1,1,GDB ChEMBL
113591,COC1(C)CC(NC(N)=[NH2+])C2OC2C1O,0,GDB ChEMBL
61881,OCCCc1ccc(I)c(C2CC=CC2)c1,1,GDB ChEMBL
84448,CN1C2C(O)CC3OC(=O)C(C32)S1(=O)=O,0,GDB ChEMBL
280890,CC1(C)CC(C(C#N)CC[NH3+])C1,0,GDB ChEMBL
127753,CCC#CC(C)(C)C(C)CCC,1,GDB ChEMBL
22497,CCCc1ccc(I)c(C([NH3+])CC(C)CC)c1,0,GDB ChEMBL
296293,NC(=O)N1CC2NCC(=O)OC2C1,1,GDB ChEMBL
285722,CNC1C(N)C(N)C1[NH2+]C(C)C(=O)[O-],0,GDB ChEMBL
382593,C=C(NC(=O)C(C)C)C(O)C=CC,1,GDB ChEMBL
380272,CC1C=CC(CO)([NH+](C)C)CNC1=O,0,GDB ChEMBL
288730,Nc1cn[nH+]c(N)c1NCCCO,0,GDB ChEMBL
254977,CC1=CC2C(C1)CC(O)C2[NH3+],0,GDB ChEMBL
259499,CC1C=C(C#N)NC(=O)N1C,0,GDB ChEMBL
141835,N=C1NCC(=O)OCC(CO)O1,0,GDB ChEMBL
141715,CCCCCC1CCC1O,1,GDB ChEMBL
355803,CCCC1CCC2(CC[NH3+])CC12,0,GDB ChEMBL
150493,C#CC1CC(O)CC(=O)O1,1,GDB ChEMBL
99576,NC1=[NH+]C2CC(CCC2OCC[NH3+])N1,0,GDB ChEMBL
351415,CC1C[NH2+]CCCCN=C2CC(C)([NH3+])CC1O2,0,GDB ChEMBL
348572,CC(O)CC([NH3+])C1C(C#N)C1(C)CO,0,GDB ChEMBL
191578,COCCNC(=[NH2+])OC1CCOC(OC)C1[NH3+],0,GDB ChEMBL
22599,[NH3+]C1CC(CO)C(CCC(=O)[O-])C1,0,GDB ChEMBL
267324,C=CC(=O)C1(O)CCC(C)C1C#N,1,GDB ChEMBL
177253,C[NH2+]C1(C)C(C)CCCC(C)CC1C,0,GDB ChEMBL
352599,O=C([O-])C1(C2(CCO)CO2)COC1,0,GDB ChEMBL
20482,CC1=CC2C[NH+]3CCC(CC2(C)C1)C3C,0,GDB ChEMBL
24505,C#CC(N)=[NH+]CCCC[NH+]=C(N)N,0,GDB ChEMBL
276103,Cc1cc(O)cn1CC1(CC#N)CC1C,1,GDB ChEMBL
81073,CCC(CC)C1(CCCC[NH3+])CCCC1(C)C,0,GDB ChEMBL
338873,O=CC1NCC12COCC(O)CN2,0,GDB ChEMBL
323209,CCc1cc(F)c2c3c(cccc13)CC2,1,GDB ChEMBL
225173,C#CCC(C)c1ccc(CCCCC)cc1Br,1,GDB ChEMBL
266512,CC(C)([NH3+])CC1(C)CCCC2(CC2)C1,0,GDB ChEMBL
12816,C[NH2+]CCc1nc(CC#N)nn(C)c1=O,0,GDB ChEMBL
34764,C#CC(N)(C[NH3+])C(O)CC,0,GDB ChEMBL
335453,NS(=O)(=O)OCC12CNC(=O)C(O)C1O2,0,GDB ChEMBL
123018,CCC(CC)CCCCc1cccc(Br)c1Br,1,GDB ChEMBL
44340,N=C1NC(CC[NH3+])C(O)C1(O)C(N)=O,0,GDB ChEMBL
276138,CC(O)CC1CCC2CCC1C2,1,GDB ChEMBL
305199,C[NH2+]CCCC1CNC(=O)OCc2cc[nH]c21,0,GDB ChEMBL
254965,C#CCC1C(C)C(C)C2CCC(CC)CC12,0,GDB ChEMBL
200968,CS(=O)(=O)[N-]C(C(N)=O)[C-](C#N)C#N,0,GDB ChEMBL
99459,CC(C#N)N(C1CC1)C1CC1,1,GDB ChEMBL
273427,CCOC1C[NH+]2CC3C=CC1C2C3,0,GDB ChEMBL
228521,CNC(C[NH3+])c1cscc1S(N)(=O)=O,0,GDB ChEMBL
247234,CCC1(C)CC2(C1)OC(=O)NC(CO)C2C,0,GDB ChEMBL
34819,CCCC1CC2OC(C)CC1C2C,0,GDB ChEMBL
83069,CCC(C[NH2+]CCC1CC1)=NO,0,GDB ChEMBL
240461,COCC(O)(C[NH3+])COS(N)(=O)=O,1,GDB ChEMBL
251422,C#Cc1c(C)cc(F)c2c1C(=O)C=C2,1,GDB ChEMBL
11233,C=CCC1C2CC=CCCCC12C,0,GDB ChEMBL
51336,N=C1OC(=O)CC1(O)Cn1cncn1,1,GDB ChEMBL
189803,CCC12CC(O)C(O)C(CCO)C1C2,0,GDB ChEMBL
302434,CCCC(Oc1nn(C)c(=O)[nH]1)C([NH3+])C(=O)[O-],1,GDB ChEMBL
271313,CN1C(=O)C(C(=O)OCCC=NO)C1CO,1,GDB ChEMBL
308132,CCCC(C=O)N=C1CC(CC)C(C)O1,0,GDB ChEMBL
104600,C[NH+]=C1N(C)CCC1(C)C[NH2+]CCOC,0,GDB ChEMBL
378583,C[NH2+]C1CCC2=CCCCC21,0,GDB ChEMBL
98635,Cc1cc(C=O)cc(N)c([O-])csc1C,0,GDB ChEMBL
239396,CCCCCC#CC(C)C(C)CCCC[NH3+],0,GDB ChEMBL
195537,CCN(C(C)=O)C1C(=O)NC(=O)C2OCC21,0,GDB ChEMBL
201367,O=C(CO)C1(O)CC1S(=O)(=O)CCC(F)(F)F,0,GDB ChEMBL
269222,C#CC1C(C)C(CC)OC(CNC(C)=[NH2+])C1O,0,GDB ChEMBL
75821,CCc1nnc2c(Cl)cc3c(n12)CCN3,1,GDB ChEMBL
148179,CCC1CCC(O)C1C(C)[NH2+]C,0,GDB ChEMBL
127926,OCC[NH+]=C1CCCN1,1,GDB ChEMBL
204486,COC1(C)CCCOC2C(C)C(C)C(C1)C2O,0,GDB ChEMBL
50127,CN(CCO)c1cc(O)n(C)c1,1,GDB ChEMBL
346820,COc1c(C)c2c(c(F)c1F)C=CCC=C2,1,GDB ChEMBL
115002,CCNC(=O)c1coc(S(=O)(=O)[O-])n1,0,GDB ChEMBL
13835,C[NH2+]CC1(C([NH3+])COC)CCC1,0,GDB ChEMBL
235621,CC=CC1C([NH3+])C1(C)CCCOC,0,GDB ChEMBL
281210,[NH3+]CC1(O)CC(OCCC([NH3+])C(=O)[O-])C1,0,GDB ChEMBL
97189,CC1=C(C#N)CCCC=CCC(C)C1,1,GDB ChEMBL
29701,C=CC(CCC)(CCC)C(C)CC,1,GDB ChEMBL
278852,CC1[NH2+]C2C=CCC2C1C(=O)[O-],0,GDB ChEMBL
109780,CCCC1C(CC)CC[NH+](C)C1C(C)CC,0,GDB ChEMBL
365730,CC12CCCC(CCC1)CC[NH2+]C2(C)C,0,GDB ChEMBL
50074,C1=[NH+]CC2CCCCCN12,0,GDB ChEMBL
26806,OCC1NC2C3CC(C2O)C1O3,0,GDB ChEMBL
207668,CCC1C(O)C[NH+](CC(C)C(N)=[NH2+])C1C,0,GDB ChEMBL
51877,C#CCC(CC)C(C)C1CCCC1C,0,GDB ChEMBL
173133,CCC1CC1C(OC)C1COC(=[NH2+])N1,0,GDB ChEMBL
389635,CC1OCC[NH2+]C2CC2C(=O)C1C,0,GDB ChEMBL
325724,C=C(C=CC(F)(F)F)C[NH+](C)CC,1,GDB ChEMBL
121945,CCC(C)N1CC1CC(C)OC(C)(C)C,0,GDB ChEMBL
362870,C[NH+]1CCC2C1C1NC(=O)C([NH3+])C21O,0,GDB ChEMBL
117310,C[NH2+]CC1C2C=CC[NH+](C)C1C=CC2,0,GDB ChEMBL
85659,N=C1NC(=N)C(C(=O)[O-])N(C(=N)N)C(=O)C1N,0,GDB ChEMBL
9953,C#CC[NH2+]C12CC[NH2+]C(CC1)CC(C)C(O)C2,0,GDB ChEMBL
160861,CCC(C)C(C)CC1=CCCCC=C1,1,GDB ChEMBL
225206,C=CCC1C=C(C(=O)[O-])CC1C#N,0,GDB ChEMBL
338297,C#CC([NH3+])C1CCC(C(C)C[NH3+])OC1,0,GDB ChEMBL
236575,NC(C[NH3+])C(CO)Oc1ccon1,0,GDB ChEMBL
295898,NC(=O)C1NCC(O)C2[NH+]=C(N)NC12,0,GDB ChEMBL
112785,CC1CC(C#N)NC2(C#N)CCOC1C2CO,0,GDB ChEMBL
191535,Cc1ccc2c3c(c4c(cc13)NCC4C)CC2,1,GDB ChEMBL
201013,CCC1CC(C)C[NH2+]C2CCCCC(C2)C1C,0,GDB ChEMBL
363760,CC1CC(NC(N)=O)C1=NO,1,GDB ChEMBL
37170,CNC1(C(=O)NCC#N)COC1,1,GDB ChEMBL
203784,COC1(CC(N)=O)C([NH3+])C1c1cc[nH]n1,0,GDB ChEMBL
386680,C1=CC(c2ccoc2)CC[NH2+]CCC1,0,GDB ChEMBL
121979,CC#CC[NH+](C)C1CC1NCC[NH3+],0,GDB ChEMBL
304410,Cn1nc(C=O)c(S(N)(=O)=O)c1CCCO,1,GDB ChEMBL
151199,Clc1ccc2ccc(CC3CCC3)cc2c1,1,GDB ChEMBL
330908,NC1C(=O)OC2C([NH3+])CCOC12,0,GDB ChEMBL
225868,CN=C(Nc1ncccn1)S(N)(=O)=O,1,GDB ChEMBL
55503,C#CC([NH3+])(CC(C)C#N)C1OC1C(=O)[O-],0,GDB ChEMBL
37611,C#CC1CC(C#N)NCC1N(C)C=O,0,GDB ChEMBL
352673,CC1=CC2(CCCC2)OCC1,1,GDB ChEMBL
167299,CC#CCCCC(C)OCC1CCC1,1,GDB ChEMBL
316423,Fc1ccc2c(c1)C(CNc1cccs1)CC2,1,GDB ChEMBL
245549,CC12CC(C1)[NH+](CC(N)CNC(N)=[NH2+])C2,0,GDB ChEMBL
41169,CC#CC(=O)c1sccc(O)cccc1C,0,GDB ChEMBL
54093,CNC1=NCC(=O)N(CCO)CC1=NO,0,GDB ChEMBL
359191,CCC1OC1(C#N)C(N)=O,1,GDB ChEMBL
146045,CCC1c2ccc(F)c(C)c2C2C=CC1C2,1,GDB ChEMBL
323151,C[NH+]=C(C)N1CCC(N)(CO)C1C(N)=O,0,GDB ChEMBL
296036,CCC1(C)C2([NH3+])CN(C(C)=O)C(=N)C12OC,0,GDB ChEMBL
118403,CCN(C(N)=O)C1CC2(CO)OC2(C)C1O,0,GDB ChEMBL
94650,CC1(C(C=O)NCCO)NC(=[NH2+])NC1C(N)=O,0,GDB ChEMBL
215408,CCCC1C(=O)CC(CCCCCO)CC1C,0,GDB ChEMBL
289254,CNC(=O)CN(CCO)Cc1cc(N)sn1,1,GDB ChEMBL
151112,C#CCC1C2OCC([NH2+]C)C12C(N)=O,0,GDB ChEMBL
314170,CC(C)(C)CC1CCNC(=O)NC1=O,1,GDB ChEMBL
11224,CCOCC1(C=O)CCC(CO)(CC(=O)[O-])C1,0,GDB ChEMBL
258736,C[NH2+]CC(NC=O)C(C)Cc1conc1N,0,GDB ChEMBL
362813,Cc1n[n-]c(CC(N)=O)c(CC(C)[NH3+])c1=O,0,GDB ChEMBL
48502,CC1CC(NCC#N)CC[NH+]1CCO,0,GDB ChEMBL
174688,N#CC12C(=O)[N-]C3COC1(CO)C32,0,GDB ChEMBL
275503,C#CCOC1(CC(=[NH2+])NC(C)C[NH2+]C)CC1,0,GDB ChEMBL
70900,C=C(CCCC)C1C(=C)CCC1=C,1,GDB ChEMBL
62061,COCC1=CC2C(=O)NC1CC2C,0,GDB ChEMBL
42263,C#CCC(C)(c1cc(Cl)c(C)cc1C)C(C)C,0,GDB ChEMBL
351292,CC(O)(CO)C1OC1C(=O)OCC[NH3+],0,GDB ChEMBL
286169,CC(=O)Oc1cccnc1Cl,1,GDB ChEMBL
299971,N#Cc1csc2c1CCOC(=O)C2N,1,GDB ChEMBL
374067,CC1OS(=O)(=O)NC(CO)CNC1=O,0,GDB ChEMBL
99125,CCCC1C(CC[NH3+])C2CC1(C)CC2C,0,GDB ChEMBL
127047,CC(C)C(C)(O)C1C(=O)C(O)C(O)C1[NH+](C)C,0,GDB ChEMBL
225199,CCC(C#CC1C[NH2+]C1)CCc1ccoc1,0,GDB ChEMBL
60976,O=C1OCC=CC2[NH2+]CC12,1,GDB ChEMBL
64118,C#CCN=COCC(=O)NC,1,GDB ChEMBL
273857,N#CCNC1C(=O)C2C[NH2+]CCCC2C1O,0,GDB ChEMBL
95195,CC(=[NH2+])NC1(CC(O)C[NH3+])CCCC(C)C1N,0,GDB ChEMBL
382999,N#CC12[N-]C(=O)OC1C2CO,0,GDB ChEMBL
77859,C[NH2+]CC1(O)C(OC(C)=O)C1(C[NH3+])S(N)(=O)=O,0,GDB ChEMBL
201691,C#CC(C)(C#N)OCCCC,1,GDB ChEMBL
137088,CC[NH+]1CC(C)([NH3+])CC1C,0,GDB ChEMBL
306354,CC([NH2+]C1CC1)C(N)=O,1,GDB ChEMBL
308682,COC12CCCC(CCO)CC1(C)C2,0,GDB ChEMBL
121502,C#CCC1OC1C(C(=O)[O-])C(F)(F)F,0,GDB ChEMBL
5256,CCC1=CCC(C)C1(C)C1CCCC1,0,GDB ChEMBL
20499,CC(C(=O)C1CC1)C1C[NH+]2CCC(C[NH2+]1)C2,0,GDB ChEMBL
148180,CC1=CC2CC(C)C(CC1)C2CC(C)(C)C,0,GDB ChEMBL
191399,CC1CCN=C(N)N(C(=O)CN)S1(=O)=O,0,GDB ChEMBL
97751,CCC1(CC#N)CC1n1cc(C[NH3+])cn1,0,GDB ChEMBL
43969,N=C1NC(=[NH2+])CC(CO)C(CCC[NH3+])NC1=O,0,GDB ChEMBL
34206,C#CC1C[NH2+]C1CC(N)=O,0,GDB ChEMBL
201140,CC(C)C=CN1CC(C[NH3+])NC1=O,0,GDB ChEMBL
210426,C#CC1NCC[NH+](CC)C1C1CCC1,0,GDB ChEMBL
1517,C#CC[NH2+]CCCc1cc(F)cc(C#C)c1C,0,GDB ChEMBL
54841,C#CCC(C[NH3+])c1c(F)ccc(C[NH3+])c1C,0,GDB ChEMBL
171280,N=C(C=O)NCCc1cnccn1,1,GDB ChEMBL
269223,CCC1C([NH3+])C(C)C2CCCC21,0,GDB ChEMBL
41615,CC1CC(CCN(C)CC[NH3+])OC(C)(C)C1C,0,GDB ChEMBL
26016,COCC1CC(CN(C)C=O)CCO1,1,GDB ChEMBL
323307,CCCC(=O)C(OC)C(C)=N[O-],0,GDB ChEMBL
235208,COC(CC[NH3+])CC1C(C)C2CCC1(C)C2C,0,GDB ChEMBL
230463,Cn1nncc(C(C)(O)CCC[NH3+])c1=O,0,GDB ChEMBL
344249,CC12CCC(c3ccncc3)C1CC1CC12,0,GDB ChEMBL
98525,C#CCCC(C)(CC)C1CCC2(CCCC2)C1,0,GDB ChEMBL
386498,O=C([O-])CC1CC2(O)C[NH2+]CC1CC2=O,0,GDB ChEMBL
230263,CCC(OC(N)=[NH2+])C1CNS(=O)(=O)C1,0,GDB ChEMBL
358521,CC1CC23C[NH2+]C(C(O)C2)C1CO3,0,GDB ChEMBL
77247,CN1C=CCN(C(CO)CO)C1=O,1,GDB ChEMBL
178050,CCC1CC2=CC1C(C)CCCC2,0,GDB ChEMBL
372545,CC[NH2+]C1CNc2cc(Br)cc(COCC)c21,0,GDB ChEMBL
252879,O=C1OCCCCCCO1,1,GDB ChEMBL
193245,CCC(C)C1COC(C)(C)C=C1C(C)C,0,GDB ChEMBL
258273,N=C1CNC(=[NH2+])N1CCC(N)=O,0,GDB ChEMBL
5217,C#CC1(C(CC#N)C(C)C[NH+](C)C)CO1,0,GDB ChEMBL
20771,C#Cc1nn(CC)cc1CC,1,GDB ChEMBL
254275,CC=C(CCC)C1C[NH2+]C1CCO,0,GDB ChEMBL
28965,CC#CCC(=O)NC1(C)CC1,1,GDB ChEMBL
249593,CC1OC2CCC(CC([NH3+])C2)O1,0,GDB ChEMBL
56662,CC1CC23CCCCCC2CC1C3,0,GDB ChEMBL
48154,CCCC(C[NH3+])NC(=[NH2+])NC(=N)OC,0,GDB ChEMBL
317369,C=C1C(=O)NCC1CCCS(N)(=O)=O,1,GDB ChEMBL
148560,CC1[NH2+]CC(C)(C(C)C#N)C1O,0,GDB ChEMBL
76945,CCC[NH+](C)C12Cc3ncccc3N(C1)C2,0,GDB ChEMBL
200776,C#Cc1cc(F)c(CC(C)C)nc1C,1,GDB ChEMBL
289783,NS(=O)(=O)C(O)C1OC(=O)NCC1[NH3+],0,GDB ChEMBL
333879,[NH3+]CCC1OC12CCC2,0,GDB ChEMBL
217051,N#CC1NC2CN(C3CC3)C1C2O,0,GDB ChEMBL
4891,CCCCC1C(C(C)CCC)C1(C)C=O,1,GDB ChEMBL
35287,CC1C(C#N)CCC1CC[NH3+],0,GDB ChEMBL
215421,CCC1CCC[NH2+]C(C)C12CC2[NH3+],0,GDB ChEMBL
148839,CC#Cc1cc(Cl)c2cc(C)cnc2n1,1,GDB ChEMBL
235240,NC(=[NH2+])N(CCO)CC(N)C[NH3+],0,GDB ChEMBL
184464,C=CC(=O)C(=O)Nc1c[nH]nc1C,1,GDB ChEMBL
106004,Cc1cc2c(C)ccc(C)c2c(Cl)c1C,1,GDB ChEMBL
29646,CC1=CC2C(CC1)CC(C)(C(C)C)C2(C)C,0,GDB ChEMBL
375583,C#Cc1cccc2cc(ccc1)C(C)CC2C,0,GDB ChEMBL
26457,CC(O)CCNC(C#N)(CO)C(N)C(N)=[NH2+],0,GDB ChEMBL
38545,C#CCn1nc2cc(C)cc(F)c2c1C,1,GDB ChEMBL
191541,C[NH2+]C1CC(C)(CO)CC2CC2C1C[NH3+],0,GDB ChEMBL
352693,NC(=O)C1CCC2C=CCOC(C2)C1,0,GDB ChEMBL
125621,CC1(CC[NH3+])COC2CC1C2,0,GDB ChEMBL
347043,C[NH2+]CCC1C=CC(C)C1[NH2+]C,0,GDB ChEMBL
384849,C[NH2+]CC(C)(C)C[NH+](C)C,0,GDB ChEMBL
84858,CC1C([NH3+])CC2CCC(O2)C1C,0,GDB ChEMBL
138361,CC1=CC(C([NH3+])CN(C)C)C(C)[NH+]=C(N)C1,0,GDB ChEMBL
162940,CNc1cscc(NC(N)=[NH2+])c1=O,0,GDB ChEMBL
156774,Cn1c2c(c3cc(N)cc(F)c31)C(=O)OC2,1,GDB ChEMBL
82146,Cc1c(O)ccc(I)c1C1CC1,1,GDB ChEMBL
307493,Cc1cc(N)c(C)c(C2(C)CCC2)c1F,1,GDB ChEMBL
296367,CNC(=O)C1C2CC2[NH2+]CC1(O)C(C)(C)[NH3+],0,GDB ChEMBL
148909,CC([NH3+])C1C(C)CC(C)(C)OC1C,0,GDB ChEMBL
111919,C#CCCOCCc1cc(I)c(I)nc1C,1,GDB ChEMBL
223514,CC1CCC2(CC[NH3+])C(O)COC(=O)C2C1O,0,GDB ChEMBL
280737,NC(=O)C1CC(c2ccoc2CO)[NH2+]1,0,GDB ChEMBL
358510,NC(CCC[NH3+])CN1CCC1=[NH2+],0,GDB ChEMBL
77538,C#CC(CCC)CC(C)(C=C)CC,1,GDB ChEMBL
277956,CC1(C#N)C2[NH2+]CC(C(O)CC(N)=O)C21,0,GDB ChEMBL
169047,CC(O)C[NH2+]C1CCC(=O)C1,0,GDB ChEMBL
183432,COCC(=O)N1C(=O)CCC1C(=O)[O-],0,GDB ChEMBL
133171,CCCc1cc(CC)[nH]c1CC[NH3+],0,GDB ChEMBL
27750,C#CCN(C(=N)C#CC)C(=O)C(C)C,1,GDB ChEMBL
81764,Clc1ccc2c(c1)C13CCC=C1CC3CC2,0,GDB ChEMBL
53063,COC1C(NC(N)=[NH2+])C12OC(=N)NC2=O,0,GDB ChEMBL
163895,C#CC(C)(CC)C1CCCCC=CC1C,0,GDB ChEMBL
129440,NC(=O)C([NH3+])C1CNC2(C(=O)[O-])C([NH3+])C12,0,GDB ChEMBL
305520,C#Cc1ccc(Br)c2c1C(CC)CC2,1,GDB ChEMBL
236690,CC(N)(C#N)C1C(O)CC(O)C1(C[NH3+])C(N)=O,0,GDB ChEMBL
189780,CC1C([NH3+])C(O)CCC2OC21C,0,GDB ChEMBL
292963,Cc1csc(C(=O)[O-])c1C[NH3+],0,GDB ChEMBL
297267,COC1CC2COC(C1C)C2(C)CO,0,GDB ChEMBL
77390,CC1(C(N)=O)C(CS(C)(=O)=O)N1C(N)=[NH2+],0,GDB ChEMBL
7778,O=C1CNC(=O)CC2C(=O)NC(C1)C2O,0,GDB ChEMBL
184875,C[NH2+]CCNC1(CO)CNC1C#N,0,GDB ChEMBL
242652,C#CC(C)Cc1ccc(Cl)cc1C#CC,1,GDB ChEMBL
202460,CCCc1cc(N)on1,1,GDB ChEMBL
380588,Cc1cc(C2CC=CCC2)no1,1,GDB ChEMBL
94874,CCC1CC=C(C(F)(F)F)C=C(C)CC1,0,GDB ChEMBL
77239,CC1(C[NH3+])CC[NH2+]C1CCCCC1=NCCO1,0,GDB ChEMBL
217071,CCC(CC)(C[NH3+])CC1=CCC(C)C1,0,GDB ChEMBL
284758,CC1[NH2+]CC2C1C2(C#N)CO,0,GDB ChEMBL
24498,COC(CO)(CO)c1n[nH]c2ccc(F)cc12,0,GDB ChEMBL
244656,N#CC(=N)[N-]C(=O)N1CCC1,0,GDB ChEMBL
106654,CC1=CCC(C(C)C(O)CO)C1,1,GDB ChEMBL
120711,CC1CC[NH2+]C2C(CC(N)=O)C(C)C2O1,0,GDB ChEMBL
284371,[NH3+]C1CC2(CO)CCC(O)(C(O)C(=O)[O-])C1C2,0,GDB ChEMBL
5333,Cc1nsc2ncc(O)cc12,1,GDB ChEMBL
236648,CC[NH2+]C(C)C1=CCCC1C(C)(C)C,0,GDB ChEMBL
361777,CNS(=O)(=O)OCC(O)C[NH3+],0,GDB ChEMBL
375529,CCC1(C#N)C=CC(O)C1,1,GDB ChEMBL
128301,CC1N(CC(=O)[O-])CC1(C)[NH3+],0,GDB ChEMBL
20127,C#Cc1ccnc(C)cc2cc[nH]c2cc1C,0,GDB ChEMBL
25190,Cc1c(N)ncn(C)c1=O,1,GDB ChEMBL
198782,CCC1(C)CCC2(CC2)C(C)C2CCC[NH+]21,0,GDB ChEMBL
134467,CC(O)C[NH2+]C12CNS(=O)(=O)CC1C2CO,0,GDB ChEMBL
317182,CC(O)C(O)C(O)CCC(N)=[NH2+],0,GDB ChEMBL
37628,C#CC(C#C)C(=C)CCCOCC,0,GDB ChEMBL
98556,CC(C[NH3+])OCCC#Cc1noc(=O)[nH]1,0,GDB ChEMBL
122716,CNC(=[NH2+])N1CC(NCC#N)C1,0,GDB ChEMBL
126963,CCC(N)(C[NH2+]C)CS(=O)(=O)NC1C(O)C1O,0,GDB ChEMBL
261228,[NH3+]CC1C(O)C(O)COC2C[NH2+]CC21,0,GDB ChEMBL
277605,CN(C)C(=O)c1nn(CC#N)c(=O)o1,1,GDB ChEMBL
156229,CC1CC2C(C)CCC=CC1C2CO,0,GDB ChEMBL
171901,N#Cc1nnn(C2CCNC(=O)C2O)c1[O-],0,GDB ChEMBL
178030,CC(C)S(=O)(=O)N1CC(CO)OC1=O,1,GDB ChEMBL
278228,O=C(CO)NC1CS(=O)(=O)NCCCC1=O,0,GDB ChEMBL
89659,NC(=O)CC1N=CNC1(C(N)=O)C(=O)[O-],0,GDB ChEMBL
127506,CCc1cc(C)c2c(c1Cl)C(CO)CC2,1,GDB ChEMBL
235723,CCC1CC(n2ncc(C)c2C)C1,1,GDB ChEMBL
116072,CCCC1OC1C(CC)CC,1,GDB ChEMBL
45688,COCC1C(O)CC2OC(=O)C(C(N)=O)C21,0,GDB ChEMBL
100725,CCC1CC(C(C)O)C2(C)CC=CC12,0,GDB ChEMBL
148485,N#CCS(=O)(=O)NCC1C([NH3+])COC1CO,0,GDB ChEMBL
103518,CC(=N)OC1(CO)CC(=O)NC1C,0,GDB ChEMBL
250571,CC1N(C)C2C(C(N)=O)CC13NC23,0,GDB ChEMBL
78644,CNC(CS(N)(=O)=O)(C(N)=[NH2+])C(=O)OC,0,GDB ChEMBL
117364,Cc1ncnc(=O)nc1Nc1nccs1,0,GDB ChEMBL
125668,C=CC(C)([NH3+])C(=O)NCCCC[NH3+],0,GDB ChEMBL
321957,C[NH2+]C(C)(C)C(=O)CCO,0,GDB ChEMBL
386404,CC(C(O)CO)C(O)C([NH3+])CO,0,GDB ChEMBL
26362,COC(CO)C([NH3+])C12COC(CN1)C2,0,GDB ChEMBL
20514,COC(=O)CN1CCC(c2c[nH]nn2)CC1,1,GDB ChEMBL
84508,C=CCC(O)C#CCC(O)C[NH2+]C,0,GDB ChEMBL
250668,C=CCC1C(=C)CC(CC)C1(C)C,0,GDB ChEMBL
197440,CNc1nc(C(C)=O)cc2nc(N)nn12,1,GDB ChEMBL
204797,CC1C=CC=CC(C[NH+](C)C)C1,0,GDB ChEMBL
218795,C[NH+](C)C1(C)CC1NC(=O)CO,0,GDB ChEMBL
142910,COc1c(C)nc2c3c(ncnc13)OC2C[NH3+],0,GDB ChEMBL
73290,CC(=O)N(C)CC1(CO)[N-]S(=O)(=O)CC1=O,0,GDB ChEMBL
261197,CC1C(=O)[N-]S(=O)(=O)CC2C(C#N)N12,0,GDB ChEMBL
244594,C#CCCCC1CCCCCCC=C(C)C1,1,GDB ChEMBL
395145,NC(=O)C([NH3+])C(O)C1OC1CC(O)C[NH3+],0,GDB ChEMBL
262532,[NH3+]CC1(Cc2ccco2)C[NH2+]C1,0,GDB ChEMBL
332355,CCCC1(COC)C=C(C)CC1,1,GDB ChEMBL
39982,CCCc1cc(Br)c(O)c2c1C(C(C)C)CC2,1,GDB ChEMBL
34242,CS(=O)(=O)N1CC(C(N)=O)C2OC2C1=O,0,GDB ChEMBL
346500,[NH2+]=C1CCc2cc(C=O)ncc2N1,0,GDB ChEMBL
222834,CCC1(C)CC2COC(C2)C1CO,0,GDB ChEMBL
51824,CC1([NH3+])C2NC(C(=O)[O-])C(C[NH3+])C21O,0,GDB ChEMBL
270069,Cc1c[nH+]c(CO)c2c1NCC(NC=O)C2,0,GDB ChEMBL
217666,CC[NH+]1CCCc2sccc2C1,0,GDB ChEMBL
92887,CCN1CC(c2nc(O)cs2)OCCNC1=O,1,GDB ChEMBL
121130,O=C1CCC(c2ncc([O-])c(=O)[nH]2)O1,0,GDB ChEMBL
283421,CC1(C)CC=CC(C#N)CC1,1,GDB ChEMBL
174247,[NH3+]CCOC(=O)c1noc(=O)[nH]1,1,GDB ChEMBL
54086,CCOc1ncnc(N)n1,1,GDB ChEMBL
38189,CC1(C)CC1[NH2+]CCCC#CCO,0,GDB ChEMBL
366902,CCOC12CC(CNC1=O)N(C)C(=O)O2,0,GDB ChEMBL
68465,CCOC1C2CC3C=CC(C)C(C[NH+]3C)C21,0,GDB ChEMBL
28197,CC1CC1C1=CCCCC1(C)C(C)C,1,GDB ChEMBL
84926,NC(=O)c1cc([O-])c2nc(NC=O)cn2c1,0,GDB ChEMBL
142963,CC1(C)CCCCCc2cc(Cl)ccc21,1,GDB ChEMBL
157506,CCC1CC(C(C)C(C)C[NH3+])[NH2+]C1C,0,GDB ChEMBL
160334,C#CCC1CCC2CC[NH+](C)CC(CC)N2C1,0,GDB ChEMBL
40038,CCCC1CC2CCCC1(C)C1CC21,1,GDB ChEMBL
157057,C#CCC1CCCC(C(C)(C)CC)C1C,0,GDB ChEMBL
308243,CC1OC2C(O)CC(c3cccs3)C23CC13,0,GDB ChEMBL
317556,CC(C[NH3+])CC1(C)CC[NH2+]C1C1(C)CC1,0,GDB ChEMBL
334747,CC1CCCCC2CC1(CO)C2,0,GDB ChEMBL
348583,C#CC[NH+](C)C(C(C)C)C(C)C#C,0,GDB ChEMBL
161413,NC(=O)C1NC(=O)OC12C(O)C2C([NH3+])CO,0,GDB ChEMBL
62831,CCC1NC=[NH+]CCC1OC,0,GDB ChEMBL
230264,NC(=O)CC1C(N)C([NH3+])C(N)C2CNC(=[NH2+])N21,0,GDB ChEMBL
339225,COCC1OC(=O)C(OC)C(O)C1O,1,GDB ChEMBL
361005,CC(CO)N1CC(=O)[N-]S(=O)(=O)C1=N,0,GDB ChEMBL
277082,C#CCC1CCCC(N)C1[NH+](C)C,0,GDB ChEMBL
273830,COC1C([NH3+])C(S(N)(=O)=O)C2C(C(=O)[O-])C12,0,GDB ChEMBL
193291,CC(C)(C[NH3+])Nc1[nH+]ccn1CCO,0,GDB ChEMBL
112481,CCC(CC([NH3+])CCC(N)=[NH2+])[NH+](C)CCO,0,GDB ChEMBL
310991,CCCOCC1CC([NH3+])CC1(O)CC#N,0,GDB ChEMBL
194234,CCn1ccc(O)cc(C(N)=[NH2+])cc(C)c1,0,GDB ChEMBL
231104,CCOC1CCCC([NH3+])CC=C(CO)C1,0,GDB ChEMBL
109619,CC12CC3CCC1CCOC(C3)C2,0,GDB ChEMBL
193775,CCc1oc2nc1CCCCC(C)OC(=O)C2,0,GDB ChEMBL
47775,CC1[NH2+]CCC2C1C2(O)CO,0,GDB ChEMBL
264963,CCCC1C(=O)OC1C1CCC(C)(O)C1,1,GDB ChEMBL
70941,C#CC(C#CC(CC)NCC[NH3+])CC,0,GDB ChEMBL
371685,O=C1OC2C[NH2+]CC(C2)C1=NO,0,GDB ChEMBL
261166,N#CC(O)C1CC(CC(N)=O)C(N)(C[NH3+])CN1,0,GDB ChEMBL
118716,CCC1C#CCCC(C)CC([NH3+])CC1,0,GDB ChEMBL
115970,CC1CCC2C[NH2+]C3CCC(C2)C13,0,GDB ChEMBL
31773,CS(=O)(=O)NC1C[C-](C#N)C1=O,0,GDB ChEMBL
247193,CC(CC[NH3+])[NH+]1CCC=CC12CCC2,0,GDB ChEMBL
210254,COC1CC2(O)C[NH+](C)CC1(CC[NH3+])C2(C)[NH3+],0,GDB ChEMBL
330017,CCC(C)[NH+]1CC1CC(C)C,0,GDB ChEMBL
149352,COC1(C2CC[NH2+]C2C)CC(O)C(O)C1,0,GDB ChEMBL
290287,CCc1cccc(C(CC)C2CC2)c1Cl,1,GDB ChEMBL
397914,C#Cc1c(OCCC)nc(C#N)c(Cl)c1C,1,GDB ChEMBL
181549,C#CCC(CC)(CCC(C)C)CC(F)(F)F,1,GDB ChEMBL
358950,CC(C)(C)C1(O)CC2CCC1CN(C=O)C2,0,GDB ChEMBL
317567,CC1(C2CC(N)=[NH+]CC2=O)Cc2cncn2C1,0,GDB ChEMBL
29704,O=C1Nc2c(I)cnc(I)c2CCCCCO1,1,GDB ChEMBL
281977,CC1(C([NH3+])C(N)=O)CC2OC(CO)CC21,0,GDB ChEMBL
334064,C#Cc1c(C)c(C)cc(C[NH2+]C)c1F,0,GDB ChEMBL
337833,CC12CC1NCC([NH3+])CC2O,0,GDB ChEMBL
118843,CC1C(O)C1C1CNC(=O)O1,0,GDB ChEMBL
23594,OC1CCC2C(Cc3cnco3)C2C1,0,GDB ChEMBL
1481,CC1(O)CC(C=O)C(O)C1O,1,GDB ChEMBL
320744,C#CC(C)(OC)C(=NCCO)NC(N)=[NH2+],0,GDB ChEMBL
310307,CCC(NC(C)C1CC1)=[NH+]C1CCC1,0,GDB ChEMBL
101053,CCCCC1C(C)CC(O)C2CC=C(C)C12,0,GDB ChEMBL
77338,C[NH2+]CC=Cc1cnc(Br)cc1C,0,GDB ChEMBL
80242,CCC1C(C)(C(C)=O)CC2CCCCCC21C,0,GDB ChEMBL
66690,COc1cnc(C(C)(C)C)nc1C[NH3+],0,GDB ChEMBL
201470,CCCC([NH3+])C1C2CC(C1C(C)C)[NH+](CC)C2,0,GDB ChEMBL
136440,CC1CCC(C2CC3CC3C2)C1CO,0,GDB ChEMBL
238188,CN=C1NCCCOC(=O)N1,1,GDB ChEMBL
347916,CNC1C(=O)C(=O)[N-]C(C#N)C1=O,0,GDB ChEMBL
61885,CCOc1nscc1C(C)CCC(C)C,1,GDB ChEMBL
236699,COC1CCC2[NH2+]C1C(C)C2C,0,GDB ChEMBL
70043,CCOC1(C[NH3+])C2CCC1(C(=O)[O-])C2,0,GDB ChEMBL
42612,NCC(=O)NC(=O)c1cncsc1=O,0,GDB ChEMBL
383348,CC(=[NH2+])N1CC2CC(O)C1C1OC21,0,GDB ChEMBL
293836,CC#CCC([NH3+])c1cccn1C,0,GDB ChEMBL
67840,CC1C[NH+](C)CC=CCC1(C)C#CCO,0,GDB ChEMBL
105115,NC(=O)NC1C(C[NH3+])C(CO)N2CC12,0,GDB ChEMBL
76077,CCC1CC(C)=CC2C1CCC2(C)C,0,GDB ChEMBL
40003,COCc1c(Cl)c(C)c(N)c(C)c1CO,1,GDB ChEMBL
88193,COCC(C)c1cc(O)c2ccc(I)cc2n1,1,GDB ChEMBL
390097,CC(O)C1CNC(=[NH2+])NC(COC(N)=[NH2+])C1,0,GDB ChEMBL
162547,CCCNC12COCCC1[NH2+]CC(C)N(C)C2,0,GDB ChEMBL
17313,C[NH2+]CCCC(=O)Nc1nnsc1OC(C)=O,0,GDB ChEMBL
179462,C#CC1=CC(C)C2C(C)CCCC12C,0,GDB ChEMBL
386509,CCC(C#N)N1CCNC1=O,1,GDB ChEMBL
1453,CCCN=C1CC(C)(C#N)C(NC)CO1,0,GDB ChEMBL
300950,C#CC(C(C)=O)C(=O)CCC(F)(F)F,1,GDB ChEMBL
312522,C#CC1(O)CC(C)C(C)(C)CC1O,1,GDB ChEMBL
119904,CCC1CC2(CCCC(C)O1)CCC2,0,GDB ChEMBL
254891,CC1CC2C3C1N3C(=O)N2C,0,GDB ChEMBL
324052,CCCC(CC)C1CC(C)(CC#N)C1,0,GDB ChEMBL
16766,COC(C)(C)C(C)CC(C)C[NH3+],0,GDB ChEMBL
20732,NC(=O)CNC(C=O)CC=O,1,GDB ChEMBL
11713,CCC(C(C)C1CC1)C(F)(F)F,1,GDB ChEMBL
151265,CNC(=O)C(OS(N)(=O)=O)C(N)=O,1,GDB ChEMBL
369298,CCC1(CC2CC2)C[NH+](C)C1,0,GDB ChEMBL
112361,C[NH2+]C1CC1C1NC1C([NH3+])CC(=O)[O-],0,GDB ChEMBL
323189,NC(=O)CC1CNC(=O)C1n1ncncc1=O,0,GDB ChEMBL
234888,CC(O)C1CCCCC12C(C#N)C2(C)C,0,GDB ChEMBL
99847,C=CC1(C)CC1c1ccccc1Br,1,GDB ChEMBL
309196,CCC12C(=O)NC3CCC1C32,0,GDB ChEMBL
307886,C=CC(CC)(C(C=O)=CC)C(C)C,0,GDB ChEMBL
27762,C#Cc1ccc2c(c1C)NC(C#C)C2,1,GDB ChEMBL
330044,CNC(=O)NC12COC(=O)C(C1)NC(=[NH2+])C2,0,GDB ChEMBL
247594,CCC1C(O)C(C)C(C)(O)C(=O)N1C(=N)N,0,GDB ChEMBL
398723,CCNC1COC(=O)C1(C#N)C(C#N)[N-]C=O,0,GDB ChEMBL
319818,Nc1ncc(CC([NH3+])C2(C[NH3+])COC2)s1,0,GDB ChEMBL
354819,CC(CN)[NH2+]C1C2CCC(O)C21,0,GDB ChEMBL
352212,C[NH2+]C1(COC)CCC(=CCO)C1,0,GDB ChEMBL
191297,CC1CCCCC#CC2COC2(C)C(=O)O1,0,GDB ChEMBL
280787,COC1C([NH3+])CC(O)C2C1C(=O)[N-]S2(=O)=O,0,GDB ChEMBL
215822,CC1=CCC([NH3+])C(O)C(=O)N1,0,GDB ChEMBL
36174,Cc1oncc1NCCN(CC[NH3+])C(N)=O,0,GDB ChEMBL
317608,CCOCC(C)N(C=[NH+]C)C(C)(C)CO,0,GDB ChEMBL
103931,[NH3+]Cc1c(C2CC2)[nH]cnc1=O,0,GDB ChEMBL
249628,C#CC1CN(C)C1CC[NH3+],0,GDB ChEMBL
25233,COC1OCC2CCC[NH2+]CC3C1N23,0,GDB ChEMBL
29233,[NH3+]C1C2C(O)CN(CC(O)CO)C12,0,GDB ChEMBL
75058,C#CC12CC([NH3+])C(CCCC[NH+](CCC)C1)O2,0,GDB ChEMBL
134766,CN1CC(O)C(C)(C#N)CC([NH3+])C#CC1=O,0,GDB ChEMBL
391756,Cc1cc2cc(Cl)c1CC(O)C#CCCC2,1,GDB ChEMBL
119264,Nc1cc(Cl)cc2ccc(COCC(=O)[O-])n12,0,GDB ChEMBL
223998,C[NH2+]CCC1C2CCC1[NH2+]C2,0,GDB ChEMBL
150496,CCC(C)C1C=C(C(C)C)CCC(C)(C)C1,0,GDB ChEMBL
214925,Cc1cc(F)cc(F)c1C#CCNCC[NH3+],0,GDB ChEMBL
76088,Cn1cnc(C(=O)[O-])c1C1CNC(=[NH2+])N1,0,GDB ChEMBL
348874,CC1(O)C(O)CC(NC(N)=O)C1O,1,GDB ChEMBL
331700,CCC(C)C1CC(C)C(C)(C[NH2+]C)CC1(C)O,0,GDB ChEMBL
35334,CC(O)CN1C(=O)[N-]S(=O)(=O)C1C,0,GDB ChEMBL
299946,C#Cc1cc(I)c(CCCC)c(C)c1C#C,1,GDB ChEMBL
252295,NC(=O)c1sc(C(N)=O)c(CO)c1CO,0,GDB ChEMBL
296620,CCCC#CC1(C(C)C)C=CC=C1,0,GDB ChEMBL
395938,CN1CC[NH2+]CC2CN(C2)c2cnc1cn2,0,GDB ChEMBL
372200,CC1[NH2+]Cc2cc(F)cc(F)c21,0,GDB ChEMBL
31329,CCC12C(C)CCC[NH2+]C(CC[NH+]1C)CC2C,0,GDB ChEMBL
305962,Nc1nc(C([NH3+])CO)ccc1Cl,1,GDB ChEMBL
271495,C#CC([NH2+]CCCN(C=N)C(C)=[NH2+])C(C)CC,0,GDB ChEMBL
303374,CCCC1C(C)CC2CCC1(CC#N)C2,0,GDB ChEMBL
308700,NS(=O)(=O)OCC1C(=O)C=CC1O,1,GDB ChEMBL
81628,CCCC=C1COC(CCO)C1=O,1,GDB ChEMBL
229446,CC#CC1(NC)C(O)C[NH+](C)C1C1CC1,0,GDB ChEMBL
352662,CC(=[NH2+])NC1(C)CNC(N)=[NH+]C1C(O)C(N)=O,0,GDB ChEMBL
79302,CCCC1CC12CCC(C)C2CCO,0,GDB ChEMBL
243900,C[NH2+]CC1CC(C)(O)C2C(N)C2([NH3+])C1,0,GDB ChEMBL
34983,CCCC1CC2CCC(CCCC(C)C1C)C2,0,GDB ChEMBL
68502,CCC[NH2+]C1CCC(C)C(C)C1,1,GDB ChEMBL
26621,CC1(C)CCCC2C[NH+]1CC(C=O)CO2,0,GDB ChEMBL
260172,CCCC(C)C1(C)CC(C)C2CC2C[NH2+]1,0,GDB ChEMBL
306394,COC1C(=O)C2CC2C1O,1,GDB ChEMBL
259702,CC1COCC2CC3CC3C([NH3+])CN12,0,GDB ChEMBL
137394,C#CCCC([NH2+]C)C(C(C)[NH3+])C(C#N)CC,0,GDB ChEMBL
398796,C[NH+]1CC2(CC2)CC2CC1C2,0,GDB ChEMBL
372498,CC(=N[O-])C1(C(=O)N(C)C)CO1,0,GDB ChEMBL
46867,COCC(C(C)C)[NH+](CCO)C(C)C=NO,0,GDB ChEMBL
353241,C#CC[NH2+]C(C)CC(C)=O,1,GDB ChEMBL
280702,CCCCOC(=O)C1CC2(C)C(CN2C)N1,0,GDB ChEMBL
161006,COCCOC1CC1C1C[NH2+]1,0,GDB ChEMBL
130640,CC1C(O)C(CO)C12CNC(=O)C2,0,GDB ChEMBL
44687,C#CCC(=O)CCC(C)CS(=O)(=O)NCC,0,GDB ChEMBL
197465,COc1ccc(C23CC2(C)CC=C3C)cc1,0,GDB ChEMBL
252099,CCOc1cc(Br)c2onc(CO)c2n1,1,GDB ChEMBL
298051,CC1CC2(O)C1OC(=O)CN(C)C2C[NH3+],0,GDB ChEMBL
146948,CCC(C)=CC=CC(C)=CC(C)C,1,GDB ChEMBL
115721,C=C1C=CC2CCCC2C1CCO,0,GDB ChEMBL
356875,CCC(=O)c1cc(CC)ccc(=O)c1,1,GDB ChEMBL
394932,NC(=O)C1C2NC(=O)N(CC(=O)[O-])C1C2[NH3+],0,GDB ChEMBL
139806,CCC(C)C(CC)C1CCC(C)CC1C,0,GDB ChEMBL
26611,CCC([NH3+])(CC(N)=O)CS(N)(=O)=O,0,GDB ChEMBL
330154,CN1CCC2OC2CS(=O)(=O)CC1,1,GDB ChEMBL
365700,C[NH2+]C(C)(C)CC(C=O)C(C)C,0,GDB ChEMBL
387030,CS(=O)(=O)NC1C2(O)C(O)CC3OCCC312,0,GDB ChEMBL
312554,N=C1CN(C(=N)N)C(=O)C(O)C(=O)O1,1,GDB ChEMBL
118397,CC1C(=O)NC2(CO)CC([NH3+])C1C2C[NH3+],0,GDB ChEMBL
161022,C#CCC1CC2CC(C)=CC12CCCCO,0,GDB ChEMBL
201010,CCC(CO)NC(=O)Cn1nn[nH]c1=N,1,GDB ChEMBL
386394,CC(OS(=O)(=O)N(C)CC#N)C(=O)[O-],0,GDB ChEMBL
64352,CNC(CCOC=O)C(N)=[NH2+],0,GDB ChEMBL
325214,CCCCC1[NH2+]C2C(C)C2NC1C,0,GDB ChEMBL
225859,CCN(C(=O)NC)C(C)CC1CC1(C)C#N,1,GDB ChEMBL
306385,COC1OC2(C(=O)[O-])COCC1C(O)C2,0,GDB ChEMBL
322878,C=C1CCS(=O)(=O)NC(C#N)C1C[NH3+],0,GDB ChEMBL
350937,CCC1(C)CC(C#N)C2C(CO)C2C1,0,GDB ChEMBL
320747,CNC(=O)CC(C)(C#N)NS(=O)(=O)CN,1,GDB ChEMBL
185923,CCC(O)CC1([NH2+]C)CC1,0,GDB ChEMBL
358302,C[NH2+]CCC(C)C1C=CC2(CC2OC)C1[NH3+],0,GDB ChEMBL
300944,CN1CC1C([NH3+])C(C)(C)CC1CNC(=O)C1,0,GDB ChEMBL
279129,NC(=O)NC(C=O)C1CC1,1,GDB ChEMBL
146907,[NH3+]CCC(=O)OC1C=CC([NH3+])CC1[NH3+],0,GDB ChEMBL
330966,CCC1(CC(=CCC[NH3+])CO)CC1,0,GDB ChEMBL
221938,CCCC1C[NH2+]CC1(O)C#N,0,GDB ChEMBL
184506,O=C1OCC2OC(C(=O)[O-])C(O)C2O1,0,GDB ChEMBL
112503,CC1(CCCO)CS(=O)(=O)NC2CC(=O)OC21,0,GDB ChEMBL
181692,COC(=O)C1C2NC(C[NH3+])C1(N)C2(O)CO,0,GDB ChEMBL
155071,CCNC(=O)C1(O)CC[NH2+]C1,1,GDB ChEMBL
247194,CCCC1[NH2+]C2CC(C)([NH3+])C1OCC2O,0,GDB ChEMBL
281789,C#CC1(CCn2cccc2)C(CC)C1CC,1,GDB ChEMBL
183474,C[NH+]=C(N)NC(=[NH2+])CC(C)=O,0,GDB ChEMBL
130196,Clc1ccnc2c1NCC2,1,GDB ChEMBL
2378,CC([NH3+])C#CC[NH2+]CCC(N)=O,0,GDB ChEMBL
295882,C#Cc1nc(NC(=O)OC)c(C)[nH]c1=O,1,GDB ChEMBL
65631,C#CCC#Cc1c(C)cc(Cl)cc1CCC,1,GDB ChEMBL
50222,C#CC1CC2(C)CC1C(C)(CCCCCC)C2,0,GDB ChEMBL
290523,CC(C)(C)CC1CCCC2CC=CC21,0,GDB ChEMBL
70817,CN1CC2=CC(CC(C)(C)C#N)C[NH2+]C2C1,0,GDB ChEMBL
120690,CC1C[NH2+]C2CC1CC2=O,0,GDB ChEMBL
40880,CCN1CC=CC2[NH2+]C(C3CC23)C1C,0,GDB ChEMBL
251456,CN1CC(CC(=O)[O-])OCC(=N)OS1(=O)=O,0,GDB ChEMBL
384830,CC1CCC2C(=O)NC2C1CNS(C)(=O)=O,0,GDB ChEMBL
60605,C=CCCCC1OC1C(C)(C)CC,1,GDB ChEMBL
55538,CC(C[NH+]1CCCC1)OC(C)(C)C,0,GDB ChEMBL
392767,C#CCC1CCCc2c(C#N)cc(Br)c(C)c21,0,GDB ChEMBL
40258,CCCC(C)(C)C1C=C(C)C(C#N)C1,1,GDB ChEMBL
155129,CNS(=O)(=O)C(C(=O)[O-])C1=CCC(=O)N1,0,GDB ChEMBL
363228,COCC1(O)C2NC(=O)OCC21[NH+]=C(N)N,0,GDB ChEMBL
344376,NC(=[NH2+])CC(=O)C(=O)NCCO,0,GDB ChEMBL
286875,COC12CC1(C#N)C(C)CC2O,0,GDB ChEMBL
365720,CC1CC1CC(C#N)CC(F)(F)F,1,GDB ChEMBL
130834,COC1C=C(NS(C)(=O)=O)C2CC1CC[NH2+]2,0,GDB ChEMBL
115916,CCCCC(C)C1C(C)CC(C)CCC1CC,0,GDB ChEMBL
210250,O=C([O-])CC1NC(c2ncon2)c2cn[nH]c21,0,GDB ChEMBL
100715,CC1CC([NH2+]CC2(C)OC2C)CC(C)C1=O,0,GDB ChEMBL
156051,CCn1ccc2nc(F)c(N)c(C(C)O)c21,0,GDB ChEMBL
39806,COCC#CC1C(C)[NH2+]CC12CCC2,0,GDB ChEMBL
124333,C#CCC1C(C)C2COC1C([NH2+]CCC)C2,0,GDB ChEMBL
196510,CCC1(O)C(O)C1CCCS(=O)(=O)NC,0,GDB ChEMBL
348636,CC1C=C(C([NH3+])CC2CC2)CC1,0,GDB ChEMBL
389068,CC(=O)N1C(=N)C(O)CCC=CC1=O,1,GDB ChEMBL
156505,CC(=O)Cc1sccc1Oc1ccccc1Br,1,GDB ChEMBL
380350,CCNc1ncc(C#N)cc1F,1,GDB ChEMBL
184489,CC12C(C([NH3+])CCO)NC(=O)C1N2C(N)=O,0,GDB ChEMBL
221923,Cc1nc(NC(C#N)C(=O)[O-])c(N)s1,1,GDB ChEMBL
300951,CC#CC(NC(=[NH2+])NCC)C(=O)[O-],0,GDB ChEMBL
379422,CC(=O)NC1=CC(C)=CCOC1,1,GDB ChEMBL
305789,CC(O)C(O)C([NH3+])C1[N-]C(=O)NC1=O,0,GDB ChEMBL
367774,CC(O)(C([NH3+])C(=O)[O-])C(O)C(N)C[NH3+],0,GDB ChEMBL
337187,N#CC(O)C(O)(CO)CC[NH3+],0,GDB ChEMBL
241125,COc1cc(CC#N)c(F)nc1C,1,GDB ChEMBL
35691,C=C1CC2C(CCC(C)(C)C)C2C1,0,GDB ChEMBL
165613,CC1CC=CC2NC2C(=O)OC1,0,GDB ChEMBL
133322,CCCOC1C2(C)CCC(OC)C1(O)C(C)C2,0,GDB ChEMBL
305097,CC12COC(=O)C=CC1[NH2+]CC2O,0,GDB ChEMBL
243915,C[NH+]1CC2CC(C1)[NH+](C1CC1)C2,0,GDB ChEMBL
300233,CCC12C(=O)OCCN1C2C(=[NH2+])NC,0,GDB ChEMBL
280714,CC1N=C(NC(N)=O)N(C=O)C1=O,1,GDB ChEMBL
398198,CC1(C)C=CC[NH2+]CC(CO)[NH2+]C1,0,GDB ChEMBL
375890,CCCCC1CC2C3C=CC(C3)C2C1,1,GDB ChEMBL
208606,C#CC1CCC(C)(CC)C([NH2+]C(C)(C)CC)C1,0,GDB ChEMBL
170439,CNC1C(=N)OC2C1C(=O)N1CCC(C)C21,0,GDB ChEMBL
287367,CCC1CCC(C)CC2C1CCC2(C)C(C)C,0,GDB ChEMBL
204196,C#Cc1cnn(C)c1N(C)CC(N)=O,1,GDB ChEMBL
182131,C#CC(C#C)c1cc(C)c(O)c(C)c1,0,GDB ChEMBL
297255,Nc1cc(C=O)c(I)cc1O,1,GDB ChEMBL
294228,CCc1[nH]c(COCC2(C)CCCC2)cc1C,1,GDB ChEMBL
240503,C[NH2+]C1C2=CC(=O)C1C(C(N)=O)CC[NH2+]C2,0,GDB ChEMBL
128287,[NH3+]CC1CN=C2NC(=O)NC(=O)C2(O)C1,0,GDB ChEMBL
103506,CC1(C)[NH+]2CCC(C2)CC1([NH3+])CO,0,GDB ChEMBL
218292,CC1(O)C2CC(O)C(CO)[NH2+]CCC21[NH3+],0,GDB ChEMBL
245826,CC1CC1N1CC2CC2C1=O,1,GDB ChEMBL
29203,Clc1ccc2c(N3CCCC3)cccc2c1,1,GDB ChEMBL
201132,C[NH2+]C1CNC(=O)NC(=O)OC1OC,0,GDB ChEMBL
41026,N#CC(N)C(O)(COC(=O)CN)CS(N)(=O)=O,0,GDB ChEMBL
355401,CC1OC(CCC#N)OC2CCCC12,1,GDB ChEMBL
387045,CC1CCCCC(C2CC2C)C1,1,GDB ChEMBL
133018,C#CCc1c(Br)ccc(C(C)(C)C#N)c1CC,1,GDB ChEMBL
341351,CNC(=O)C1CN=C(CCS(N)(=O)=O)O1,1,GDB ChEMBL
184537,CN=C(N)NC(=O)N(C)C=O,1,GDB ChEMBL
136129,C#CC1(C)CC1Cc1ccc(=O)[nH]c1C,0,GDB ChEMBL
273831,C#CCOCCC1CCC1(C)[NH+](CC)CC,0,GDB ChEMBL
69569,CC(O)COS(=O)(=O)N1CCC([NH3+])C1,0,GDB ChEMBL
208315,CN1C(=O)CCNC(=O)C1=NCC#N,1,GDB ChEMBL
235925,NC(NCC(O)C=O)=[NH+]CCCO,0,GDB ChEMBL
261208,NC12COC(=O)CNC1C2C[NH3+],0,GDB ChEMBL
4955,COC(=O)CNCC[NH+]=C(N)N,1,GDB ChEMBL
253562,O=C1CC(O)CN1CC(O)c1csnc1O,1,GDB ChEMBL
46935,CC1CCN(C)C2(C#N)CCCC12,1,GDB ChEMBL
112841,CC1CC(O)C2CC3C4C(C[NH+]13)C24,0,GDB ChEMBL
11207,CC(C)C(C)(C)CC(=O)c1ccoc1,1,GDB ChEMBL
252729,CC(C[NH3+])C(CC[NH3+])OC(C)(CO)CO,0,GDB ChEMBL
19656,CC1CCOCC(CO)C1C,0,GDB ChEMBL
87534,C#CC(O)(C#C)C1[N-]C(=O)NC1=O,0,GDB ChEMBL
146956,[NH3+]C1CC2CNS(=O)(=O)C1C2CO,0,GDB ChEMBL
90275,CCN(C(=O)CC1CN1)c1cscn1,1,GDB ChEMBL
168394,CCC(OCc1cnc(=N)[nH]c(=O)c1)C(C)C,0,GDB ChEMBL
259320,CCCCCC1(O)CC1O,1,GDB ChEMBL
134755,N#CC(CO)C(=O)OC1CC(=NO)C2CC12,0,GDB ChEMBL
391613,N=C1OCCC[NH+]=C(N)NC1CO,0,GDB ChEMBL
384791,CCC(=[NH2+])NCC(C)c1cn(C)nc1C(N)=O,0,GDB ChEMBL
292277,N#CC1C(NCCC(=O)[O-])CN1C=O,0,GDB ChEMBL
174673,O=C1NC2CC[NH2+]CC2C2CC=CC1CC2,0,GDB ChEMBL
299948,Clc1ccc2c3c1CC14CCCC1(C2)C34,0,GDB ChEMBL
321962,NC(CC[NH3+])C(=O)NCc1ncc(I)c(I)n1,1,GDB ChEMBL
336609,COC(=N)CNCC([NH3+])CO,1,GDB ChEMBL
168414,CN=C(CNC=O)OCCC(C)C,1,GDB ChEMBL
271617,C[NH2+]CC1C#CC[NH+]=C(N)N(C)CC1,0,GDB ChEMBL
288538,COC(=O)C1=C(N)CN2C(=O)CN=C2CC1,0,GDB ChEMBL
208259,CC(C)N=COc1ccc(Cl)c(C(F)(F)F)c1,1,GDB ChEMBL
274177,CC1CC2(CC2)C(CC2CCC2)[NH2+]1,0,GDB ChEMBL
112823,CC(C)C12CC(C1)[NH+](C)C1CCC2C1,0,GDB ChEMBL
223550,[NH3+]C1CNC2CC1C[NH2+]C2CO,0,GDB ChEMBL
234876,CCCC[NH2+]C(C)CC([NH3+])(CO)CO,0,GDB ChEMBL
122686,CC(=O)C1(C)CC2(C(C)O)CC1C(=O)N2,0,GDB ChEMBL
366483,CC[NH2+]CCC(=O)C1CC1,0,GDB ChEMBL
71253,CCC1C(O)CC(C#N)(CCO)C2CCC1[NH2+]2,0,GDB ChEMBL
385667,C#CCC(C(C)C)C(C)(C)c1ccc(C)cc1,1,GDB ChEMBL
221661,CCCN1CCCS(=O)(=O)C1,1,GDB ChEMBL
29908,CCCc1ccn(CCOC(C)(C)CC)c1,1,GDB ChEMBL
76103,C=CCCC1C2CC=C(C)CCC21,0,GDB ChEMBL
164712,C=C(CCCCC)CC1(C)CCC1,1,GDB ChEMBL
243739,C#Cc1cc(CC#N)c(=O)[nH]n1,1,GDB ChEMBL
334079,N#CCC1=Cc2cc(Br)ccc2C=CC1,1,GDB ChEMBL
372209,CCCCC1(C)CC(C)(C)C2C(O)C=CC21,0,GDB ChEMBL
244508,C#Cc1ccc(Br)c(C#C)c1C,1,GDB ChEMBL
221916,CCC1CCCN(C(C)=[NH2+])C1CO,0,GDB ChEMBL
190301,CCCC1=Cc2cc(CC)cc(Cl)c2CC1,1,GDB ChEMBL
382154,CCC1(C2CC=CCC2)CC1,1,GDB ChEMBL
195556,CC1(O)CC2CC(C(=O)N2)C([NH3+])C1O,0,GDB ChEMBL
188506,CS(=O)(=O)N1C(CC(N)=O)C1C(O)C=O,0,GDB ChEMBL
379675,CC12CC1(C)N(C(=N)N)C(=O)CC2CO,0,GDB ChEMBL
6863,CC1CC2(C)CC1C(CCC#N)[NH2+]C2C,0,GDB ChEMBL
350671,C[NH2+]C1(C)CC(C(C)[NH3+])C(C)(CC[NH3+])C1C,0,GDB ChEMBL
161417,CCC1CC=C(c2c(I)ccnc2NC)C1,1,GDB ChEMBL
169105,Cc1oc(N)nc1C(=N)NCCOCC[NH3+],0,GDB ChEMBL
34286,CCOC1OC(=N)NC2C(=O)OC12,0,GDB ChEMBL
305331,C#CCCC1CC2C(CCC)C1CCC2(C)C,0,GDB ChEMBL
218597,CC1(O)C(=O)NC=NC1C(=O)[O-],0,GDB ChEMBL
40396,CC1(C)COCC(CC[NH3+])NC=[NH+]1,0,GDB ChEMBL
27759,CCCC1C=CC2CCC2[NH+]1C,0,GDB ChEMBL
372535,C#CCC1C(=O)NCC=CC1C,0,GDB ChEMBL
147565,CC12CCCNC(=O)C=CC1OC2=N,0,GDB ChEMBL
197228,N=CNC(=O)Nc1cc(N)nc(N)n1,1,GDB ChEMBL
279225,CC12CC3C(=O)NC(=N)N3CCC1C2,0,GDB ChEMBL
366595,CN1CC(=O)C2(C=CCCCC2)C1=[NH2+],0,GDB ChEMBL
107700,C[NH2+]C1(CO)COCC(C)(C)C1,0,GDB ChEMBL
263435,CCC1(C)C(C)C2CCC[NH+]1C2CC(F)(F)F,0,GDB ChEMBL
240827,Cn1ccc2c1CC(O)(CC(=O)[O-])C2=O,0,GDB ChEMBL
238548,CCC1C=CCC(CC2CC2)C12CC2,1,GDB ChEMBL
161062,CC(=O)CC(C#N)NCC=O,1,GDB ChEMBL
72402,Cc1cc2c(cc1F)C=CC1CCC1(C)C2,1,GDB ChEMBL
387195,C[NH2+]C(CCNC=O)COC(C)(C)C=NO,0,GDB ChEMBL
337832,CCCC1CCCC(C)(C)C(CC)C(CC)C1,0,GDB ChEMBL
176457,CC1CC2OCC(C)([NH3+])C2NC(=O)CO1,0,GDB ChEMBL
319845,[NH3+]C1CNC(=O)C1OCC(O)CO,0,GDB ChEMBL
160316,Nc1ccc([N+](=O)[O-])nc(=O)c1C(=O)[O-],0,GDB ChEMBL
293841,CCC1C=Cc2cc(C)cc(Br)c2CC1,1,GDB ChEMBL
192567,CC(CO)OC1CC[NH2+]C(CN)CC1,0,GDB ChEMBL
173673,CCCc1noc(C2C(CO)OC3CC32)n1,0,GDB ChEMBL
190050,Cc1ccc(C2CC(C)OCCC[NH+]2C)n1C,0,GDB ChEMBL
203150,C[NH2+]C1C2OCC(C(C)C(N)=O)C1NC2=O,0,GDB ChEMBL
135432,C[NH+]=C(N)CC(OCCO)C(C)=O,0,GDB ChEMBL
259638,CCN(C(=N)N)C(=O)CC1CC1O,1,GDB ChEMBL
170446,C#CCC(CC(F)(F)F)c1cccc(Cl)c1Cl,1,GDB ChEMBL
176406,CC#CC1(OC)CC(NC(N)=O)C1CO,0,GDB ChEMBL
211155,CCC([NH2+]C)C(C[NH3+])CO,0,GDB ChEMBL
221390,C[NH2+]CC(C=O)C1C[NH+]=C(N)CC(C)(C)C1,0,GDB ChEMBL
140794,C=CC1CC1CC(CC)[NH+]1CCC1,0,GDB ChEMBL
259565,COC(C(=O)[O-])C1C2C=CC(=O)NC21C,0,GDB ChEMBL
190366,CNC(=O)C(C)C(=O)N1CC1,1,GDB ChEMBL
349461,COC1OC(=O)C(OS(N)(=O)=O)CC1[NH3+],0,GDB ChEMBL
70350,CC1CC(C#N)CCC2(O)CC([NH3+])C(C2)O1,0,GDB ChEMBL
190804,CCC(CCO)N=c1ccn(C)cc1N,1,GDB ChEMBL
277607,N#CC1(CN)C(C(N)=O)N1C=O,0,GDB ChEMBL
115400,CC(C)CC1N=C(N)OCC=CCC1=NO,0,GDB ChEMBL
10997,CC1C2=CCCCC(=O)C1CCC2,1,GDB ChEMBL
228411,Cc1nc(C2C(=O)NCC2[NH3+])c(N)s1,0,GDB ChEMBL
115737,Cc1ccc(Br)c2c1N1CC2C1,1,GDB ChEMBL
39979,CC1C=CC2CCC1c1c(Br)cccc12,0,GDB ChEMBL
302492,CS(=O)(=O)N1C=CC(NC(N)=[NH2+])C1,0,GDB ChEMBL
47527,N=C1OCC(C(N)=O)COC1=N,0,GDB ChEMBL
311372,C#CC(O)(C#C)C1C(=O)CC(=O)C1(C)COC,0,GDB ChEMBL
113518,CC(O)C1OC(=O)COC1C,1,GDB ChEMBL
274387,NC(=[NH2+])NC1C[NH2+]CC2COC1O2,0,GDB ChEMBL
151705,CC(C)C1(C[NH3+])NC1CO,0,GDB ChEMBL
375141,CNC(CN)=[NH+]CCNS(C)(=O)=O,0,GDB ChEMBL
259324,C[NH2+]C(CO)CC1(C)CC(O)C(C)(CO)O1,0,GDB ChEMBL
28256,C[NH2+]C1C2OC(=O)C(CS(N)(=O)=O)C12N,0,GDB ChEMBL
239106,CC#CC(C#CC)(C#CC)CC#N,0,GDB ChEMBL
305156,CC1=CC(O)CC[NH2+]CC1,0,GDB ChEMBL
151279,CCC1CC2C(C)C1CCC2(C)C(C)C,0,GDB ChEMBL
86742,CN1C(=O)COCC1C(C#CCO)C=NO,0,GDB ChEMBL
277734,N=c1nc[nH+]c(NCC[NH2+]CCO)[nH]1,0,GDB ChEMBL
242969,C=CC12CC(CCCC)[NH2+]C1C2C,0,GDB ChEMBL
301495,COCCCC[NH+]=C(N)CCOC(C)(C)C#N,0,GDB ChEMBL
313305,CCOC1C2C3CC4C[NH+]3CC412,0,GDB ChEMBL
225821,Cc1ncsc(C(=N)N)c(C=O)c(C)c(C)n1,0,GDB ChEMBL
277395,NC(=O)C1(C(=O)C2CC2)CC1,1,GDB ChEMBL
165197,CC12C3[NH2+]CC1C2(C[NH3+])c1nc(N)ncc13,0,GDB ChEMBL
279111,C[NH2+]CC1=C(C)CC(C)(O)CCC([NH3+])CC1,0,GDB ChEMBL
278866,C1CC2CC3[NH2+]C2CNC3C1,0,GDB ChEMBL
395641,Cc1cc(C)c(C2CCC2C)c(Br)c1,1,GDB ChEMBL
264920,CC#CC(C#N)C1COC(C[NH3+])C1,0,GDB ChEMBL
109478,CC(=O)OC(C)(C(N)=O)C(=O)C1CCOC1C,0,GDB ChEMBL
39913,NC1C([NH3+])C2C(O)C(=O)NC2C1C(=O)[O-],0,GDB ChEMBL
34909,CC(C)(CCC#CC[NH3+])[NH2+]C1CCCC1,0,GDB ChEMBL
121483,C#CCOc1nc[nH]c1C(N)=O,1,GDB ChEMBL
201093,CCC1C[NH+]2CCC=C(C3C[NH+](C)C3)C1C2,0,GDB ChEMBL
267893,CC1CCCC1(C)C1CC1C([NH3+])CN,0,GDB ChEMBL
379830,C#CCCCCC1(CC)CCCCCC1C#N,1,GDB ChEMBL
201669,Cc1cc(C(C)C)cc(F)c1CC[NH3+],0,GDB ChEMBL
208219,Cc1ncn2c1CC1(CC1)CC(C)C2,0,GDB ChEMBL
54779,C=C1CC(C)C(C(CC)C2CC2)C1,0,GDB ChEMBL
155061,CNC(=O)NC(=O)c1nc(N)no1,1,GDB ChEMBL
339977,CCC([NH2+]C)C(C)(O)C[NH3+],0,GDB ChEMBL
135390,CC(C)=CC1C2C=CC=CC1CC2,1,GDB ChEMBL
353575,C=CC(CO)C(CC#CCOC)=NO,0,GDB ChEMBL
255508,CC[NH2+]C1(C#CCO)C=CCC1,0,GDB ChEMBL
132195,CC#CCC(CC)C(C)CC(F)(F)F,0,GDB ChEMBL
382576,CC1COC1=NC1CCCCC1,1,GDB ChEMBL
379693,CC1OC2C3[NH2+]C1CC32CC(=O)[O-],0,GDB ChEMBL
302289,CCC[NH2+]C12CC(C[NH3+])(C=CC1C(N)=O)C2,0,GDB ChEMBL
35344,CCC1(C)C2CC[NH+](C2)C1C,0,GDB ChEMBL
70190,CN(C)C(=[NH2+])CCC(NC(N)=[NH2+])C(N)CO,0,GDB ChEMBL
256122,CC12COC(=O)C(OCC([NH3+])C1)C2O,0,GDB ChEMBL
243908,CNC1C(=NO)C2OC1CNC2C(N)=O,0,GDB ChEMBL
280324,CC1[NH2+]CC=CC1CCC#N,0,GDB ChEMBL
280720,CC1OC(C(=O)[O-])C2(O)C(C)C12,0,GDB ChEMBL
35696,CC1C2C[NH+]=C(N)NC(C=O)CC2C2OC12,0,GDB ChEMBL
131690,C#Cc1cc(F)c(N)c2cc(C)c(CC)cc12,1,GDB ChEMBL
86733,CCCC(CC(C)C)[NH+]1CC1,0,GDB ChEMBL
130443,COCC1CC(C)(O)C(C)C2CN12,0,GDB ChEMBL
23448,N#CC1C2CCCC([NH2+]C2)C1OS(N)(=O)=O,0,GDB ChEMBL
6848,CC[NH+]1CC(C)(CC([NH3+])(CC)COC)C1,0,GDB ChEMBL
47215,Cc1ccc[nH+]c(=NC2CC2)c1,0,GDB ChEMBL
353535,CC#CC(=CC[NH3+])NC(=O)COC,0,GDB ChEMBL
190016,NC(=O)N(C(N)=O)C1=NCCO1,1,GDB ChEMBL
137083,NC(=O)C(O)CC(=O)c1n[n-]c(=O)o1,0,GDB ChEMBL
174249,COc1cc(C)c2c(c1I)C(C)NCC(=N)O2,1,GDB ChEMBL
76393,N#CC1N2CCC(CCC(N)=O)C12CC[NH3+],0,GDB ChEMBL
324287,CC1c2c(Cl)cccc2C2CC3CC3C12C,0,GDB ChEMBL
81731,CC(C(=O)[O-])N(CC(C)(O)C=O)C(C#N)C=O,0,GDB ChEMBL
288597,C#CC(N=C(N)CC(=O)NCCCO)C(=O)[O-],0,GDB ChEMBL
161797,CCC=CC=Cc1ccccc1I,1,GDB ChEMBL
337790,N#CCCC12OC1CNc1c(Cl)cncc12,0,GDB ChEMBL
366919,CCC1(C)CC2(C)CC1[NH+](C)CC2C,0,GDB ChEMBL
277865,[NH3+]CCC1CN(c2cccc(F)c2F)C1,0,GDB ChEMBL
44999,CCCC1OCCOC(C)CC2CC1CC2C,0,GDB ChEMBL
263188,CC12CC(CO)OC(=O)C1OC(=O)N2,0,GDB ChEMBL
379714,COc1cc2oc(CO)cc2nc1C,1,GDB ChEMBL
391332,CCCn1cc2c(c1)OCO2,1,GDB ChEMBL
218780,COCCNc1cn[nH]c1OC1(C)COC1,0,GDB ChEMBL
77751,O=S1(=O)CC(CCO)C2(CCCC2)N1,0,GDB ChEMBL
309185,NC1(C2CC(C(=O)[O-])[NH2+]2)CNS(=O)(=O)C1,0,GDB ChEMBL
23461,CCN(C(C)=O)C1CC2C(=O)CC2C1CO,1,GDB ChEMBL
95897,COC(=O)C1CN2CCNC(C2)C2C[NH2+]C12,0,GDB ChEMBL
275683,CCC1CCCC(C)=CC[NH2+]1,0,GDB ChEMBL
11377,C#CCC12CC(COCC)[NH+](C1)C2,0,GDB ChEMBL
264965,Cc1onc2c1C(C[NH3+])N(S(C)(=O)=O)C2,0,GDB ChEMBL
39970,Cc1cc2c(c(O)c1F)NCC2([NH3+])C1CC1,0,GDB ChEMBL
118708,C#CCc1cc(CCC2CCCC2)cc(C)n1,1,GDB ChEMBL
85048,CN=C([N-]C(=O)C#N)NCC[NH3+],0,GDB ChEMBL
293785,[NH3+]C1COC(=O)N2CC(CO)CC12,0,GDB ChEMBL
125574,CCCC1CS(=O)(=O)NCCOC1(C)C,1,GDB ChEMBL
22542,C#Cc1cccc2c1NCC1(CCO2)CC1,1,GDB ChEMBL
202458,CCC(C)([NH2+]C1CCC1)C(C)OC,0,GDB ChEMBL
238146,CC1c2ccnn2CC(=O)CC1(C)C,0,GDB ChEMBL
372199,CCOCC1(CCC(CC)=NO)C[NH+](C)C1,0,GDB ChEMBL
127726,C#Cc1c[nH+]cc(CC(C)C)c1N,0,GDB ChEMBL
142365,CCC1CCC(C)(NC(N)=[NH2+])C(C)(C)C1O,0,GDB ChEMBL
130487,CCC1(O)COC2C[NH2+]CCC3NC(=O)NC321,0,GDB ChEMBL
363584,CCC1CC=C(C)C(C)(CC(F)(F)F)CC1,0,GDB ChEMBL
181712,CCOCC1CCC(=O)C2C=CC1C2,0,GDB ChEMBL
99558,COCC1CCC2(C#N)C[NH2+]C(C)CC2OC1,0,GDB ChEMBL
11727,C#Cc1c(O)c(C(O)CC)cc(Br)c1Br,1,GDB ChEMBL
18347,CCC1CC(C)C2C(C)(C)C1C2(C)C,0,GDB ChEMBL
320441,CC(=O)NC1CN(C(=O)C(=N)N)C1,1,GDB ChEMBL
140125,CCC1(C)CC2CCCCC(C)(C)C1C2C,0,GDB ChEMBL
33870,N=C1NC(=O)C([NH3+])C1C(N)C[NH3+],0,GDB ChEMBL
21732,CC1CC(=O)C2CC(c3ccccc3)CC2C1,0,GDB ChEMBL
300152,CC(=O)NC(=N)Nc1c(C#N)nsc1N,1,GDB ChEMBL
15576,NC(=[NH2+])NC1C[NH2+]CC2C(C[NH3+])C12CC[NH3+],0,GDB ChEMBL
9961,C[NH2+]Cc1c(COC(C)C)noc1CC=O,0,GDB ChEMBL
365808,NC1CNCC(O)C1[NH2+]C1CCC1C(=O)[O-],0,GDB ChEMBL
8703,CC(C)C1(C(CO)OC=O)CNC(=N)NC1=O,0,GDB ChEMBL
362711,O=C([O-])C1CC2CN3C(=O)OC(=N1)C23,0,GDB ChEMBL
174631,CCCCCC(C)C1(C)CC(C)C2CCC21,0,GDB ChEMBL
161940,CC(=[NH2+])N(C)CC(N)=[NH+]c1c(N)ncnc1N,0,GDB ChEMBL
391298,Cc1cc(F)cc2c1C1(CCC2C)CC1,1,GDB ChEMBL
194230,CC(CO)C(C#N)C(N)C1CC[NH2+]1,0,GDB ChEMBL
334448,CCNC(=O)c1c(N)n[nH]c1[O-],0,GDB ChEMBL
168437,CC1CC(O)C2[NH+]3CC2(C1)CC3C,0,GDB ChEMBL
93108,CC(C)C1(C)CCCCC=CC1(C)C,0,GDB ChEMBL
342341,C[NH+]1CC2CC2C2CCC([NH3+])C21,0,GDB ChEMBL
186601,CCOC(CC)C(=O)NCC(C)CC=NO,1,GDB ChEMBL
118660,[NH3+]CC1CCC2CC=CC1CO2,0,GDB ChEMBL
280299,N=COC(=O)C(N)C[NH2+]CC(=O)[O-],1,GDB ChEMBL
119928,O=c1c(Cl)cc([O-])c(Cl)n1CCC1CC1,0,GDB ChEMBL
273987,C=C(CC)C1C2OC(=O)NCC21O,0,GDB ChEMBL
262563,CCC([NH3+])C(O)C1OCC2NC21,0,GDB ChEMBL
222087,CNC(=O)NC(=N)Oc1cc(C(=O)[O-])on1,0,GDB ChEMBL
102309,COc1c(F)c(CO)c(C)c2cc(O)nn12,0,GDB ChEMBL
51384,N=CNC(=O)C(O)COC(N)=O,1,GDB ChEMBL
228343,CC1C(=O)OCOC(=[NH2+])NCC([NH3+])C1(C)O,0,GDB ChEMBL
259440,C#CC1CC=CC[NH+]1C(C)C(C)O,0,GDB ChEMBL
122704,CCc1cc(C)nc(F)c1,1,GDB ChEMBL
312177,O=Cc1ccc(=O)c2c(c1O)CC=CCO2,1,GDB ChEMBL
120359,CNC1C(O)C(=O)[N-]C1(C#N)C(N)C(O)C[NH3+],0,GDB ChEMBL
234903,COc1nc(N)cc(=O)c2c1C(C)CO2,0,GDB ChEMBL
279992,CC1N=COC(C)(C)C(CO)C1C(=O)N(C)C,0,GDB ChEMBL
136117,CCC1OC(CC)(C(C)=O)C1COC(C)=O,0,GDB ChEMBL
287045,N#CC(CO)C(C#N)C(=O)[O-],1,GDB ChEMBL
13907,NC(=[NH2+])N1C(=O)NC2C[NH2+]C(CO)C21,0,GDB ChEMBL
198670,C[NH+](C)CCNCc1n[nH]cc1C#N,1,GDB ChEMBL
197098,[NH3+]CC1(O)CC2OC(=O)NCC2NC1=O,0,GDB ChEMBL
194745,CC#CCC(CC)C(=[NH2+])NCC,0,GDB ChEMBL
324006,CC1OC(CO)C([NH+]=C(N)N)C1O,0,GDB ChEMBL
174233,CC(C)S(=O)(=O)N(C)CC(CO)NC(N)=O,1,GDB ChEMBL
147389,N#CC(=O)[N-]S(=O)(=O)CC1COCCN1,0,GDB ChEMBL
294447,CCC1(CCOC2CC2)CC1,1,GDB ChEMBL
293835,[NH3+]C1CC(O)C2C(=O)NCC12O,0,GDB ChEMBL
73804,C#CC1=CCCC(C)(C)CCC=CC1,0,GDB ChEMBL
166446,CC#CC(=O)C1CCCC1,1,GDB ChEMBL
349941,CCCCC(C=NO)N1CC=C(C)CC1=O,1,GDB ChEMBL
205921,CC1OC(=O)C2C3CC(CC3C(F)(F)F)C12,0,GDB ChEMBL
311670,CCC1(CNC(=O)[N-]S(C)(=O)=O)NC1CO,0,GDB ChEMBL
80303,N#CCC(N=C(N)n1ccnc1O)C(=O)[O-],0,GDB ChEMBL
51363,CC1C2CC=CCC1C1(C)CCC2(C)C1,0,GDB ChEMBL
44111,C=Cc1cc(C)c(CC)n1CC[NH3+],0,GDB ChEMBL
310768,CC(C)C1CCC(C)C2C(O)C([NH3+])C(O)CC12,0,GDB ChEMBL
215423,CCC(C#N)C1C(OC)=NCCCC(C)C1[NH3+],0,GDB ChEMBL
9681,CCCc1ccc(Br)c(CCOCC)c1CC,1,GDB ChEMBL
9794,CC1OCC2C1C2(C(N)=O)C([NH3+])C(=O)[O-],0,GDB ChEMBL
103501,COCC1C(=O)NC(CO)C(C)(O)C1O,0,GDB ChEMBL
324089,Cc1ccn2cncc(C3CC3)c12,1,GDB ChEMBL
124774,CC=CC(CC)OCC1(C)COC1,1,GDB ChEMBL
234963,COC(C)(C)c1cc(Br)c2[nH]c(C)cc2c1,1,GDB ChEMBL
151794,CC[NH+](C)CCCC1(C)COC1C(N)=[NH2+],0,GDB ChEMBL
151059,CCCC1(C)C(CC)C2CC(C)C1C2C(C)C,0,GDB ChEMBL
362842,C#CCC(C)C[NH2+]CC(=O)NCC,1,GDB ChEMBL
112359,CCCC1[NH2+]C2CCC(C)(C(C)C2)C1C,0,GDB ChEMBL
214725,C[NH2+]C(C)C(C)(C[NH3+])CC(C)(C)[NH3+],0,GDB ChEMBL
17085,CCCC12CCC(C)(CC1)CC(C)C2,0,GDB ChEMBL
26063,CC1CC2(C[NH3+])CC1(O)C2,0,GDB ChEMBL
310148,CCC[NH+]=C(N)C(C)C1CC(=O)OC(C)CO1,0,GDB ChEMBL
338885,C[NH2+]C(CO)C(O)C1C2C=CCC(C#N)C21,0,GDB ChEMBL
311304,CC1C(C(N)C[NH3+])C2(CCC([NH3+])C2)C[NH+]1C,0,GDB ChEMBL
218358,CC1CC2C(C#N)CC([NH3+])C1CNS2(=O)=O,0,GDB ChEMBL
116629,CCC1C[NH2+]CC(N(C)C)=C(C(C)=O)C1,0,GDB ChEMBL
255536,CC1C(C[NH3+])CC2OC21,0,GDB ChEMBL
385610,CC1C=CC2(C1)CC(C[NH2+]CCC[NH3+])C2,0,GDB ChEMBL
129844,N=C(C1COC1)N(CC[NH3+])C(N)=O,0,GDB ChEMBL
378271,N#CC1N=C(N)NC1CS(N)(=O)=O,0,GDB ChEMBL
93078,CC12CCC(C1=O)C1CCCC12,1,GDB ChEMBL
111522,N=C(N)c1c(O)nc(C(O)CCO)nc1Cl,0,GDB ChEMBL
179489,CCC1=CC2CCOCC[NH+]2C1,0,GDB ChEMBL
370278,C#Cc1cc(C)c(Cl)c(C(C)C(CC)CC)c1,1,GDB ChEMBL
392501,C[NH2+]CC(CO)C1(C(=O)[O-])CCCC1,1,GDB ChEMBL
302608,CC(O)CCC1(C#N)C2CNC1C2=O,0,GDB ChEMBL
215387,CCC#CCCCC(CCC)C1CC1,1,GDB ChEMBL
156067,O=COCC(=O)NCC(=O)[O-],1,GDB ChEMBL
191401,CC(C)(C)CC[NH+]1CC2C3C=CC1C32,0,GDB ChEMBL
281853,C#CCC1C(C)CCC2(C)C[NH2+]C(C)C12,0,GDB ChEMBL
318128,Clc1ccc2c3c1CC1C=CC4(C2)C3C14,0,GDB ChEMBL
276040,O=CN(C=O)CCC[NH2+]CCS(=O)(=O)[O-],1,GDB ChEMBL
28184,O=C1NC2CCCN3C1C(O)C23,0,GDB ChEMBL
255368,CCC(C)(O)C1(C(C)(C)C)CCOC1,0,GDB ChEMBL
366944,CNC(=O)Cn1cnc(=O)nc1O,1,GDB ChEMBL
68641,COCC1(C#N)CC(O)C2NC2C1C(C)O,0,GDB ChEMBL
43946,O=C1NC(=NCCCO)CN2CC(C2)N1,0,GDB ChEMBL
20749,CC(C)C(=O)CCC(=O)CCCCC#N,1,GDB ChEMBL
341158,C[NH2+]CCOCc1cncs1,1,GDB ChEMBL
275478,COC12CCCC(C1)[NH+](CC(C)C)CCOC2,0,GDB ChEMBL
111622,CCCCCC1=CC2CC2([NH3+])CC(O)C1,0,GDB ChEMBL
62076,CCCCCC1CC2C(CC)C2C1,1,GDB ChEMBL
362227,CCC1CC2C(C[NH2+]1)C(C)CCCC1CC12,0,GDB ChEMBL
204334,COc1cc[nH]c(C([NH3+])CO)c(O)ncc1N,0,GDB ChEMBL
203619,CNC(=O)C(CO)Oc1n[nH]c(C)c1C[NH3+],0,GDB ChEMBL
50972,C#Cc1c(F)cccc1C1=C(C)CCC1C,1,GDB ChEMBL
183433,Cn1nc(NCC[NH3+])c(=O)nc1C#N,0,GDB ChEMBL
382495,CC1CC2(CO)CC3[NH2+]CC1C3N2,0,GDB ChEMBL
243922,NC(=O)NCC1C(=O)OC2OC(=O)CC21O,0,GDB ChEMBL
225017,COc1c(N)nc(OCCO)nc1N,1,GDB ChEMBL
277129,Nc1nc2c(N)ncn2c2cc[nH]c12,0,GDB ChEMBL
84963,Cc1cc(C=O)c(C2COC(C#N)=N2)cn1,1,GDB ChEMBL
26059,CCC1CCCCC(C)C(CC(C)C)C1CC,0,GDB ChEMBL
29936,CCCCc1cc(Cl)cc(NC)c1C(F)(F)F,1,GDB ChEMBL
131877,Cc1noc(-c2cc(N)cc(CO)nc2=O)n1,0,GDB ChEMBL
88162,NC(=O)C([NH3+])C1C2CC(NC1C(=O)[O-])C(=O)O2,0,GDB ChEMBL
159739,[NH3+]C1CC1c1cc(C#CCO)ccc1Cl,0,GDB ChEMBL
4967,[NH3+]CC1C=CCS(=O)(=O)N1CC(=O)[O-],1,GDB ChEMBL
341127,CNC(=O)Cc1cnns1,1,GDB ChEMBL
88159,[NH3+]C1CCC2CC2C(CO)C1,0,GDB ChEMBL
162920,COC1(C[NH2+]CCC(C)O)CNC1,0,GDB ChEMBL
24302,CC1C(=O)NC(CC2CC2[NH3+])C1C,0,GDB ChEMBL
196536,C#Cc1c(O)cc(I)cc1COCC(F)(F)F,1,GDB ChEMBL
203853,Cc1cnc2c(c1)C1OC=NC1C(C)C(=O)N2,0,GDB ChEMBL
201487,CC1[NH2+]CC2NC1C(CO)OC2C,0,GDB ChEMBL
143502,Cc1c(OC(C)(C)C)c(F)cc2cocc12,1,GDB ChEMBL
302308,CC(=O)N1CCC(C(C)O)CC(NC(N)=O)C1,0,GDB ChEMBL
18914,COCC(=O)NC12CC(CNC1=O)C2=O,0,GDB ChEMBL
236670,CNS(=O)(=O)CC(CC[NH3+])NCC#N,0,GDB ChEMBL
257405,N#CCCNC1=[NH+]C(C[NH3+])CN1,0,GDB ChEMBL
118683,CC([NH2+]CCO)c1c[nH]nn1,0,GDB ChEMBL
206976,NS(=O)(=O)C1C2C(C(=O)[O-])[NH2+]CC21O,0,GDB ChEMBL
252597,C#CC(=O)C12CC[NH2+]C(CC1)CC2,0,GDB ChEMBL
45063,NC(=O)CN1CCCC([NH3+])C1=O,1,GDB ChEMBL
115774,N=C1CNC(=O)C(CO)(C(=O)[O-])N1,0,GDB ChEMBL
187251,C[NH+]1CCC2(C1)C([NH3+])C(O)C1OC12,0,GDB ChEMBL
68452,C1CC2CC(C1)OC1(CCC1)C2,1,GDB ChEMBL
281791,CCC1(C([NH3+])CO)CC([NH3+])CCC(C)(O)C1,0,GDB ChEMBL
121471,CC1=CC[NH2+]C(C)CC1O,0,GDB ChEMBL
17631,CCCC(CC)C1C[NH+]1CC(C)(C)CC,0,GDB ChEMBL
225807,C#Cc1c(F)ccc2cn(C3CCCC3)cc12,1,GDB ChEMBL
299755,CCCCC1C(C)CC2(CC(C)C)CC12,0,GDB ChEMBL
292238,Cc1cc(=O)[nH]cc1CS(=O)(=O)NCC#N,1,GDB ChEMBL
280727,COc1ncc2c(c1F)C=C(CO)CC2[NH3+],0,GDB ChEMBL
119255,CCC[NH2+]C1(C)CCC(C)OC1(CC)C(C)C,0,GDB ChEMBL
118490,O=S(=O)([O-])CCC(CO)NC=[NH+]CCO,0,GDB ChEMBL
358816,CCC1CC=CC(C)CC(C(C)(C)C)C1,0,GDB ChEMBL
328818,N#CCC(=O)n1ccc(C[NH3+])nc1=O,0,GDB ChEMBL
372127,CCCC1C(C)CC2=CC(C)CC(C)(C)C21,0,GDB ChEMBL
103391,Cc1ccc2c(c1)C1C3C(=CCC(O)C31)C2,0,GDB ChEMBL
31341,C#CC1N2CCCC1(OC)C(C(F)(F)F)C2,0,GDB ChEMBL
296628,CC(=O)C1COC(CCC(=O)[O-])C(N)=N1,0,GDB ChEMBL
251420,CCC[NH+]1CCCCC1(C)C1CCC1,0,GDB ChEMBL
107816,Cc1ccc(Cl)c2c1C1C=CC2CCC1,1,GDB ChEMBL
345411,COC1c2cc(I)c(C)cc2C(O)CC1(C)C,1,GDB ChEMBL
128292,CCCC([NH3+])c1cocn1,0,GDB ChEMBL
300449,N#CCC1OC(=O)C2CN2CC1[NH3+],0,GDB ChEMBL
210979,CN(C)C1CC[NH+]=CNC(=O)CC1=O,0,GDB ChEMBL
194537,CN(C=O)C=NCC1CCC([NH3+])C1CC(=O)[O-],0,GDB ChEMBL
167343,CC1NC(=O)C2C(C)(C[NH3+])C2(C)C1O,0,GDB ChEMBL
259096,[NH3+]CCCC1OCC([NH3+])C1O,0,GDB ChEMBL
87005,CC(CCO)CCc1nc(Br)c2c(n1)CCC2,1,GDB ChEMBL
386564,CC#Cc1nc(CC2(C)CC2)ccc1O,1,GDB ChEMBL
36200,CCC1Cc2cc(Br)cc(Br)c2C(C)C1,1,GDB ChEMBL
303861,C#CC(CC(=O)[O-])N(C)C(=NCC)S(C)(=O)=O,0,GDB ChEMBL
11030,CNC12C[NH2+]C3CC3CCN(CCC1O)C2,0,GDB ChEMBL
235920,N=C(CO)NC(=O)C(CO)CC[NH3+],1,GDB ChEMBL
26896,CC[NH2+]C1CCC2CC1(C)C13CC1COC23,0,GDB ChEMBL
124301,CN(C)C1(C#N)COC1CO,1,GDB ChEMBL
129593,CC1=CCC2C(C[NH3+])COC12,0,GDB ChEMBL
20532,CCC(CC[NH+](C)C)CC(O)C(O)C[NH3+],0,GDB ChEMBL
155114,CCCC1(CC)C=CCC1C,1,GDB ChEMBL
338501,CCCCC1=CC[NH2+]CCCC=C1,0,GDB ChEMBL
119887,COC1CC(CC2CC2C[NH3+])C1,0,GDB ChEMBL
185302,CCCC1C=CCC1C(C)CC,1,GDB ChEMBL
379238,C#CC1C(CO)CC(C)(C)C(C)C1[NH2+]CCC,0,GDB ChEMBL
59203,CCC1CCCC2[NH2+]C(CO)C(C(C)=O)NC12,0,GDB ChEMBL
64636,C#Cc1cc(C=O)c(Br)cn1,1,GDB ChEMBL
131646,CC1CC(O)C2C(O)C2[NH+]1CCO,0,GDB ChEMBL
378948,CCC[NH+](C)CCc1c(C)ccc(CC)c1Br,0,GDB ChEMBL
132669,C#CCCCC#Cc1c(Br)cccc1Br,1,GDB ChEMBL
27939,CCC1COCC=C2CCC(C)=C2C1,0,GDB ChEMBL
347009,CCC1C([NH3+])CC2C[NH2+]C1C2O,0,GDB ChEMBL
191290,CC#CC#CCC[NH2+]CC(N)CC#CCO,0,GDB ChEMBL
355387,COC1CC2C3CC(C#N)C1CN32,0,GDB ChEMBL
59614,Cc1cc(C(=O)[O-])nc(N)scc(C=O)c1C,0,GDB ChEMBL
132316,O=S(=O)(CC=C1CCC1)NCCCO,1,GDB ChEMBL
257418,C#Cc1c(C)c(F)c(C(F)(F)F)c(C)c1F,1,GDB ChEMBL
76783,CC1(O)CCCC2CCC(C)(CO)C2C1,0,GDB ChEMBL
239343,NC(=O)NC1C(O)CC2C(CO)C21[NH3+],0,GDB ChEMBL
71255,[NH3+]CC1C(=O)NC(CO)(C(=O)[O-])C1[NH3+],0,GDB ChEMBL
197478,CC(C)C12CCC[NH+]1CC=CC1(COC1)C2,0,GDB ChEMBL
201397,CCOC1CC[NH2+]C(C)C(O)C12CC2,0,GDB ChEMBL
84480,CC(C)C1CC([NH3+])CC2CC21,0,GDB ChEMBL
12728,CC1OCC(NC=O)C([NH3+])CC2CC21,0,GDB ChEMBL
312211,CCN(C(C)C)C1CS(=O)(=O)C1,1,GDB ChEMBL
299941,CCCC12CCOCC1O2,1,GDB ChEMBL
115961,CC1CN(C)C(C)C2[NH2+]C3(CCC3)CC12,0,GDB ChEMBL
156186,C#CC1Cn2c[nH+]c(C)c2N1,0,GDB ChEMBL
29195,C#CC(C)C1(C)CC(OC)CCC(C(C)C)C1,0,GDB ChEMBL
320296,CC[NH+]1CCn2c(N)cc3c2C1CC(=O)CC3,0,GDB ChEMBL
310312,CCc1cc(Cl)c2c(c1)C(=O)C1CC(C2)C1,1,GDB ChEMBL
89644,C#CCC(CC[NH3+])CC(C)[NH2+]C1(C)CCCC1,0,GDB ChEMBL
143779,CC1(CS(N)(=O)=O)OC1C([NH3+])C(O)CO,0,GDB ChEMBL
318367,O=C([O-])CCC(=NO)C1CN1,0,GDB ChEMBL
190408,CCN=CNC(=O)c1sc(=O)[nH]c(=O)c1OC,0,GDB ChEMBL
38510,COC(C)C12CC(C1)C2,1,GDB ChEMBL
395154,CCc1c(C=O)nc(Br)c2[nH]cc(COC)c12,1,GDB ChEMBL
4746,C[NH+]1CCC(N)C([NH3+])C2C=CC1C2CCO,0,GDB ChEMBL
121108,C#CC1CCC(C)C(C)c2c1ccc(C)c2C,0,GDB ChEMBL
129789,CC1C[NH+]=C(N)OCC(NS(C)(=O)=O)=N1,0,GDB ChEMBL
128284,CC(C)OCC(=O)OC1(C[NH3+])CCCCCO1,0,GDB ChEMBL
42247,CS(=O)(=O)CCC12OC(=O)C(OC1=O)C2O,0,GDB ChEMBL
142521,N#CC12N=C(N)N3C(CO)C(O)C([N-]C1=O)C32,0,GDB ChEMBL
307969,O=C1CCC2C(O)C3[NH2+]C2C3O1,0,GDB ChEMBL
151139,C#CC1(NC(=O)CC([NH3+])CC)C(O)C1CO,0,GDB ChEMBL
173734,CC(C(O)C(N)=O)C(O)C(O)C1CO1,1,GDB ChEMBL
214708,NCC([NH3+])CC(O)C1C([NH3+])CC1C(=O)[O-],0,GDB ChEMBL
278181,CC([NH3+])C(C[NH3+])(CO)NC(N)=O,0,GDB ChEMBL
141735,C#CCC1(C(CCC(C)C)C(O)C[NH3+])CC1,0,GDB ChEMBL
205930,CC([NH3+])CNC1CC2CCC=CC(=O)NC21,0,GDB ChEMBL
274644,C#CCC1C(C)CCC1C(C)(C)C1CCCC1,0,GDB ChEMBL
94612,CCCCC1c2c(F)cc(OC)cc2CC1C,1,GDB ChEMBL
194520,CCC12OC1CC1C(C(=O)[O-])[NH2+]CC12,1,GDB ChEMBL
345401,CCc1c(NC)ncc(N)c1F,1,GDB ChEMBL
352611,CC[NH2+]C1c2c(C)csc2CC1C[NH+](C)CC,0,GDB ChEMBL
375748,CC12OC1CCC2CO,1,GDB ChEMBL
207670,CC1C=CCCNC(=O)C1C,1,GDB ChEMBL
338882,CCCOC(=[NH2+])N(C)C,1,GDB ChEMBL
389436,CC1OC2OC(=O)C1NC2C#N,0,GDB ChEMBL
182906,CCCC12CC1(C)C(O)C(OC)C2C,0,GDB ChEMBL
379189,O=CC1C(=O)OCC1O,1,GDB ChEMBL
204568,CC(=O)CC(C)C1C=CCN(C)S1(=O)=O,0,GDB ChEMBL
195319,CC[NH2+]C12C(=CCC1N)C(O)CC2C,0,GDB ChEMBL
44596,CC([NH3+])CCC(=O)n1cnnc1CC[NH3+],0,GDB ChEMBL
266198,CCC(=O)c1c(CO)c(O)cn1CC,1,GDB ChEMBL
341328,NC(N)=[NH+]CC(O)CN1CC1,0,GDB ChEMBL
177068,CNC(=O)C([NH3+])c1c(Cl)nc(C[NH3+])c([O-])c1[O-],0,GDB ChEMBL
160967,C#CC1=C(C)N(C(N)=[NH2+])C(C)C1,0,GDB ChEMBL
191546,CS(=O)(=O)N1CCC1(CO)C(O)C[NH3+],0,GDB ChEMBL
331162,COC1CCOC(C)C1(C)C1CCCC(=O)C1,0,GDB ChEMBL
171911,CC1(CC2(C)NC2(CO)C(N)=O)CC[NH2+]C1,0,GDB ChEMBL
16510,CCC[NH2+]CC(O)c1cc(C)n(CCO)c1,0,GDB ChEMBL
290106,NC(=O)NCC(N)C(N)C([NH3+])(CO)CO,0,GDB ChEMBL
206975,C#CCCC(C)CCC#CCC(C)C,1,GDB ChEMBL
281700,C=CCCC1(CC)CC(=O)CC1C,0,GDB ChEMBL
20770,COC(Cn1nncc1C)C(=O)[O-],1,GDB ChEMBL
70130,C#CCN1CC2C(C)C(C#C)CC(C1=O)C2C,0,GDB ChEMBL
99805,NC(=[NH2+])NCC(O)C=CNC(N)=O,0,GDB ChEMBL
116090,[NH3+]CC(NC(=O)CO)C1(CO)C(=O)NCC1O,0,GDB ChEMBL
107038,Cn1nnc(N(CC#N)CC(=O)[O-])n1,1,GDB ChEMBL
44598,CC#CC1COC1c1cc(C)c(F)cn1,0,GDB ChEMBL
301531,CCC1CCC(C)C2CC=C(CCCC2)C1,0,GDB ChEMBL
165990,CC1COC2(C)C(OCCO)C2N1C,0,GDB ChEMBL
354473,CNC(=O)OC1C(C)NC(C(N)=[NH2+])C1(N)C#N,0,GDB ChEMBL
281998,NC(=[NH2+])CC(C(N)=O)C1OC1C(=O)[O-],0,GDB ChEMBL
362064,CCC1OC1C=CC[NH2+]C1(C)CC1,0,GDB ChEMBL
23648,C[NH2+]CCCCCO,1,GDB ChEMBL
391307,CC1CC2C3CC(C[NH3+])CC([NH2+]3)C2(C)C1,0,GDB ChEMBL
214706,CCC1OC(C)C(C(C)[NH+](C)C)C[NH2+]CC1C,0,GDB ChEMBL
362819,O=C1NCC2CCOCC1CO2,1,GDB ChEMBL
68605,CCCC12CCC(CC)(CC(CC)C1)C2,0,GDB ChEMBL
11753,CNc1cnnc(C#N)c1OCC(C)C,1,GDB ChEMBL
280881,C#CC1C=CCC(CCCCC)C1C,0,GDB ChEMBL
338151,N#CC(N)C1(N)C2C(O)CC(=O)OC21CO,0,GDB ChEMBL
297274,CCC1CCCOCC1C[NH3+],0,GDB ChEMBL
77506,CCC1OC(CO)(C(N)=[NH2+])C2CC(=O)CNC12,0,GDB ChEMBL
89317,CC1=CCC(O)CNC(=O)NC=C1,0,GDB ChEMBL
214418,CC(C)(C)C(C)(C)Oc1nccnc1O,1,GDB ChEMBL
161951,CCCC(C)(O)CC(C)C(O)C(C)O,1,GDB ChEMBL
378564,COC1CC=CC2CCNC(C#N)C(C2)C1,0,GDB ChEMBL
165937,CC1(C)CCC2(C[NH2+]C1)NCCOC2=O,0,GDB ChEMBL
330957,NC(=O)NC1CC2C(O)C2(O)C1CC(=O)[O-],0,GDB ChEMBL
277617,CC(C)C(OCC=O)C(=O)c1ccc(Br)cn1,1,GDB ChEMBL
87079,C[NH+]1CC2(CCC[NH2+]CC2)C1,0,GDB ChEMBL
33151,C[NH2+]CCN1CC=CC(O)C(O)(C[NH3+])C1,0,GDB ChEMBL
143810,C#Cc1sccc1NC(C)(C)C,1,GDB ChEMBL
357640,CCCCCC12CC(C)C(C1C)C2C,0,GDB ChEMBL
113611,Oc1ncc(F)cc1C1CC1,1,GDB ChEMBL
352217,CCCN(C(=O)C[NH3+])C(C#N)CO,1,GDB ChEMBL
208557,C[NH2+]CC1(O)CCC=C(CC(C)(C)C)C1,0,GDB ChEMBL
205938,C#Cc1ccc2c(CC[NH3+])ccc(I)c2n1,0,GDB ChEMBL
115896,CC1C2CC(CC(=O)[O-])S(=O)(=O)N12,0,GDB ChEMBL
34448,CCCCCC1CC=CC2[NH2+]CCC2(O)C1,0,GDB ChEMBL
151690,O=C1C2CCCC[NH2+]C3C1C3(O)C2,0,GDB ChEMBL
306365,C#CC1N=C(CCOC)NCC1=O,0,GDB ChEMBL
87514,[NH3+]CC1C2CNC1C([NH3+])CC2O,0,GDB ChEMBL
322832,Cc1cc(C)ncc(N)cccn1,0,GDB ChEMBL
120861,Nc1nc2c(c(O)c1Cl)COC(=O)N2,1,GDB ChEMBL
79317,CC#CCOC(C)(C)C#CCCCCC,1,GDB ChEMBL
172365,C[NH2+]CC(N)C(C)CCO,0,GDB ChEMBL
186622,CC1CN2CC3CC(C[NH2+]3)(C2)O1,0,GDB ChEMBL
210763,CC([NH+]=CN)C1COCC[NH2+]C(CO)CC1[NH3+],0,GDB ChEMBL
377293,Cn1cc(N)c(C(N)=O)c1C[NH3+],0,GDB ChEMBL
374940,Cc1nccn(CC#N)c(=O)c(C)cc(N)n1,0,GDB ChEMBL
349946,CC(C)C(C)C1CC(CCO)C1,1,GDB ChEMBL
35270,[NH3+]CCCOC(=O)C1NC1C[NH3+],0,GDB ChEMBL
269154,CCCCC1C2C[NH2+]C3C1C23,0,GDB ChEMBL
194501,CS(=O)(=O)[N-]C(=O)c1cc(Cl)nc(O)c1Cl,0,GDB ChEMBL
377275,CC1COCCOCC1C,1,GDB ChEMBL
348712,C[NH2+]C1(C)CC2CC1C1(C[NH2+]C1)OC(=O)N2,0,GDB ChEMBL
316258,CC(C(N)=O)C1(C#N)C(O)CC2CC21,0,GDB ChEMBL
24726,NS(=O)(=O)CC(O)c1cnc(C[NH3+])s1,1,GDB ChEMBL
151163,NC(=[NH2+])NC1C(C=O)C(O)CC2OC21,0,GDB ChEMBL
202525,CC(C)[NH+]=CN(CC#N)C(C)C(N)C(=O)[O-],0,GDB ChEMBL
242929,O=COc1ncncc1C(=O)[O-],0,GDB ChEMBL
112563,CC1CC(C)C2CCCCC(C)C(C1)C2(C)C,0,GDB ChEMBL
239399,OCC1Cc2ncnn2CCO1,0,GDB ChEMBL
58990,NC(=O)OC1CNC(=O)C1COCC(N)C[NH3+],0,GDB ChEMBL
317328,C[NH2+]C1CC(C)(O)C2C(OC)C2(C)C1O,0,GDB ChEMBL
348666,CC(=O)OCc1ccn(C)n1,1,GDB ChEMBL
257503,NC(=[NH2+])CC(C(N)=O)C(N)C[NH3+],0,GDB ChEMBL
341199,Cc1c(CC(N)=[NH2+])cc(F)c(CO)c1O,0,GDB ChEMBL
156040,CNC(=O)N1C(=N)NC(C)C1(C)C,1,GDB ChEMBL
300426,C[NH2+]C(CC1C2CNC1C(C#N)N2)C(N)=O,0,GDB ChEMBL
186714,C#Cc1cc2c3c(cccc3c1)CCC2[NH2+]C,0,GDB ChEMBL
260582,C#CC1=CCCC1C(CCO)[NH2+]C,0,GDB ChEMBL
372180,NC(=[NH2+])NCC1C=CCC(N)=[NH+]C1,0,GDB ChEMBL
64122,CC1CC=Cc2ncc(O)cc2C1O,1,GDB ChEMBL
251057,CCCCn1nc2c(c1OC)CCCCN2,1,GDB ChEMBL
44099,CN(C=O)C(=O)C(C)(O)CS(N)(=O)=O,1,GDB ChEMBL
200598,O=C1CCN2CC(C2)S(=O)(=O)NCCO1,1,GDB ChEMBL
20759,CN(CCO)C(=[NH2+])NC(C=O)CC#N,0,GDB ChEMBL
175567,CC1(CCc2ccc(Br)cc2)CC=CC1,1,GDB ChEMBL
120866,Cn1cc(OC(N)=[NH2+])cc1CCC#N,0,GDB ChEMBL
281960,CC#Cc1cc(CCC)c(C)c(I)c1C,1,GDB ChEMBL
20503,CC1COC(C)(C2CC2C(=O)[O-])C1=O,0,GDB ChEMBL
362326,CCC(C=O)(Cc1cnncn1)CC(C)C,0,GDB ChEMBL
264021,O=Cc1ccc(Br)c(C=O)c1,1,GDB ChEMBL
398913,C#CCc1ccc(Cl)c(OCC)c1Cl,1,GDB ChEMBL
330348,CC1CNCC(N)C[NH+]1C,0,GDB ChEMBL
175546,COC(CC1C[NH2+]1)C(C)(C)[NH2+]CC(C)C,0,GDB ChEMBL
306337,CCCCCC1CC=C(C)C=C(C)C1,1,GDB ChEMBL
287346,CC(C=O)C(CCC#N)C1CC1,1,GDB ChEMBL
218322,CCC1CC2C(CN)[NH+]1C1CCC21C(=O)[O-],0,GDB ChEMBL
316302,C#CC1(O)CCC(C(C)=O)C1,1,GDB ChEMBL
330039,CCS(=O)(=O)NC1C=CC([NH3+])C1C(=O)[O-],0,GDB ChEMBL
301514,CC1[NH2+]CC2CS(=O)(=O)C(C(N)=O)CC21,0,GDB ChEMBL
197434,CC1Cc2cc(Br)ccc2C(C)(C)C1(C)[NH3+],0,GDB ChEMBL
292278,NC(=[NH2+])NC(CO)C(O)(CO)C(=O)[O-],0,GDB ChEMBL
174809,CCCC(C)C1C(CC)C2CCC1C(C)(C)C2,0,GDB ChEMBL
214043,C#CCCC1C=C(C)CC(C)C1CC,0,GDB ChEMBL
171340,CCC1(C)CC2C[NH2+]C1C=C2C,0,GDB ChEMBL
204404,CN1CCC(=O)OC(=N)C1C#N,1,GDB ChEMBL
230720,NC(=O)CCc1ccnn1C(=O)CC(=O)CO,1,GDB ChEMBL
140332,C#CC1(C(N)C[NH3+])CN(C(=O)CC[NH3+])CC1[NH3+],0,GDB ChEMBL
375838,CC(C)CC12CCOC(C1)C(C)(C#N)CC[NH2+]2,0,GDB ChEMBL
116357,C[NH2+]C1C2COC3CCN(C2)C31,0,GDB ChEMBL
334105,C[NH+]=C(N)C(C)OC(=O)NCC(N)=O,0,GDB ChEMBL
315271,Cn1nnnc1NCCC(O)C(O)CO,1,GDB ChEMBL
239369,O=CC12C(O)CC(C([NH2+]CC(=O)[O-])C1O)C2O,0,GDB ChEMBL
264928,C[NH2+]C1CCN(C=O)CC1=O,0,GDB ChEMBL
194486,CC1OC(=O)NC(=O)C2(CO)OC2C1C,0,GDB ChEMBL
234950,CC[NH2+]C(C(O)C(N)=O)C1CN1C,0,GDB ChEMBL
46924,CCC1CC2C(N2CC)C1(CO)CCC#N,0,GDB ChEMBL
40239,CCC(O)CC12C[NH+](C)CC(C)C1C2C,0,GDB ChEMBL
81411,NC(=O)OC(COCc1ccn[nH]1)C(N)C[NH3+],0,GDB ChEMBL
125616,CCOC(=O)C1(N)C(CO)OC2CC21,0,GDB ChEMBL
377925,CC1(O)CCC(S(C)(=O)=O)C1C=O,1,GDB ChEMBL
277798,CC[NH+]1C2CC(C)(C)C1CC2C,0,GDB ChEMBL
81086,CCc1cc(F)c(C(C)C)c(C(C)C)c1CC,1,GDB ChEMBL
151186,CC[NH+]=c1ccc(NC(=O)C(C)C)c[nH]1,1,GDB ChEMBL
350302,COC1CC2[NH+](C1)C(CCC[NH3+])C2(C)C,0,GDB ChEMBL
31294,CC#Cc1cc([O-])cc(=O)o1,0,GDB ChEMBL
247216,CCC12CNC1C([NH2+]C)CC(C)C2OC,0,GDB ChEMBL
389401,CCCC1(C)OC(C)C2(C=O)CCC1C2,0,GDB ChEMBL
77815,C#CCC1C(C)C1[NH+](CC)CC,0,GDB ChEMBL
290338,Clc1ccc2c(c1)C1C3[NH2+]CC(C=C2)C31,0,GDB ChEMBL
337948,CC(=O)C1C[NH2+]CCCC(O)C1,0,GDB ChEMBL
127626,COC1COCC=C1C,1,GDB ChEMBL
215660,CC(=O)c1oc(CO)cc1C(C)OCC(C)O,1,GDB ChEMBL
271544,COCCNC(=O)c1nc(C)cc(N(C)C)n1,1,GDB ChEMBL
150545,N#C[C-]1C(=O)OC2OCC(CO)NC(=O)OC12,0,GDB ChEMBL
76375,COC1(Cn2cnnn2)C([NH3+])CC1O,0,GDB ChEMBL
350652,C#CC1(C(CC)OC)CCN(CC[NH3+])CC1O,0,GDB ChEMBL
79281,C#CC(CC)C(C)CCCCC1C=CC[NH2+]1,0,GDB ChEMBL
321988,CCC#CC(=O)c1ccncn1,1,GDB ChEMBL
176434,CCC(CCC[NH2+]C1CC1)C(CC=O)[NH2+]C,0,GDB ChEMBL
325755,C[NH+](C)CC1CC(O)C=CCC1([NH3+])C1CC1,0,GDB ChEMBL
267878,C#CC(C)Cc1cc(C)ccc1C(C)(C)CC,1,GDB ChEMBL
39821,C#CC(C)C(CCC)C(=O)N(C)c1cc[nH]c1,1,GDB ChEMBL
34945,CCC1C(C)(CO)CCC12CC2,1,GDB ChEMBL
123027,CCC(C)C1CC=CCC1C1CC1,0,GDB ChEMBL
351412,COc1nc(CNC(C)=O)scnccc1O,0,GDB ChEMBL
305326,CCC(C)CCCCC(=O)CC#CC=O,1,GDB ChEMBL
269386,CCC(O)C1C2C=CC[NH2+]C21,0,GDB ChEMBL
267387,CC1OC(C[NH3+])C(C(=O)[O-])NS1(=O)=O,0,GDB ChEMBL
9931,CCC1[NH2+]CC(C2CC2C[NH3+])C1O,0,GDB ChEMBL
193763,COC(C)C1(C)CC=CCOCC1,0,GDB ChEMBL
31280,CC(CCC[NH3+])C1OC(C)C([NH3+])C1O,0,GDB ChEMBL
119685,C#CC1CC2CCCC(C)OC1(C)C2C[NH2+]C,0,GDB ChEMBL
392266,CN1C2C(=O)NCC(C[NH3+])C21,0,GDB ChEMBL
245552,CC1CN(C)C2CC1C1CC[NH+](C)C12,0,GDB ChEMBL
118444,CCC[NH+]=C(CC1(C)CCC[NH+](C)C1C)NC,0,GDB ChEMBL
89653,CC([NH3+])CCCC[NH2+]CCCCCO,0,GDB ChEMBL
271028,CC1C2CC(O)C1(C(=O)NC(=N)N)C(=O)CN2,0,GDB ChEMBL
254856,CC([NH3+])C1CC(C)C2C(C)C(=O)NC12,0,GDB ChEMBL
289244,CCCC[NH2+]CC1C2CC(CN1C)C2CC,0,GDB ChEMBL
11021,CC(CS(N)(=O)=O)(NCC=O)C(=O)[O-],0,GDB ChEMBL
141997,C=CC1C(C)(C)OC(C)C1(C)CO,0,GDB ChEMBL
33539,CCC1CC2C(C)C(C)C(C1)[NH+]2C,0,GDB ChEMBL
194742,CCNC(=O)C(C#N)CNC,1,GDB ChEMBL
244635,CC1([NH3+])CC2CC1C(C(N)=O)NC2=O,0,GDB ChEMBL
318092,CN(C(N)=O)C(Cc1ncon1)C(=O)[O-],0,GDB ChEMBL
210236,CCCC1(C)C(C)OC(CO)C1O,0,GDB ChEMBL
207677,CCOC(=O)CN(C=[NH2+])CC[NH3+],0,GDB ChEMBL
99407,CS(=O)(=O)[N-]C(=O)CCO,0,GDB ChEMBL
179139,NC(=O)CC(CO)CCNC(=[NH2+])CO,0,GDB ChEMBL
200560,CNC(=[NH2+])NC1=NC(C#N)CC(O)C1C(N)=O,0,GDB ChEMBL
343957,CC1CC=C(CCC[NH3+])C1,0,GDB ChEMBL
283413,CNC(=O)CCS(=O)(=O)C1CO1,0,GDB ChEMBL
181158,CNC(=O)C1(C(N)=O)C2CNC(=O)C21,0,GDB ChEMBL
197188,CC1C(O)C(O)C2OCOC1(C)CC2[NH3+],0,GDB ChEMBL
287354,N=C1OC(CC(=O)[O-])OC1=N,1,GDB ChEMBL
243349,CC1CCCCC(C)CC(C)(NC(=O)C=O)C1,0,GDB ChEMBL
330086,CC1C=CCC(C)OC(=O)CO1,1,GDB ChEMBL
223546,COC1CC2CC13CC2(C)C[NH2+]3,0,GDB ChEMBL
8726,CCC(CC[NH3+])C1(C)C(C)CCC[NH2+]C1CC,0,GDB ChEMBL
239323,N=C1NCCC(CO)C(NC(N)=O)C1=O,0,GDB ChEMBL
351197,C[NH+]=C1NCC(=O)NCC1C(N)C(O)C(=O)[O-],0,GDB ChEMBL
115563,[NH3+]CC1CC2NC2(CO)C(C(=O)[O-])N1,0,GDB ChEMBL
291909,OC1CCCC1OCC1CC[NH2+]1,0,GDB ChEMBL
245551,N#CC(CCC(N)=O)C1NC2C(=O)CC1C2=O,0,GDB ChEMBL
204213,C[NH2+]CC1CC1CC1CC1C,0,GDB ChEMBL
378884,C#CC1CC12CCC1CC[NH+](CC)C2C1O,0,GDB ChEMBL
70803,C[NH2+]C1C(N)C(C(N)=[NH2+])C(OC)C1O,0,GDB ChEMBL
254852,CC12COC1C1[NH2+]C(CC1N)C2C(=O)[O-],0,GDB ChEMBL
394378,COCC12CCC(C(C)C)C1C2C[NH3+],0,GDB ChEMBL
129433,N#CC12[N-]C(=O)C3NC(=O)OC3C1C2O,0,GDB ChEMBL
394869,CCC1(C)OC2CCCCC1(C(C)C)C2,0,GDB ChEMBL
147889,Cn1nc(N)cc(C=O)c1=O,1,GDB ChEMBL
380576,O=C([O-])CC12C[NH2+]C1C(=O)N2,0,GDB ChEMBL
228318,CC1(CC2C=C(CO)C(=O)N2)COC1,0,GDB ChEMBL
195413,C[NH2+]CC1CCC=C1C#N,0,GDB ChEMBL
200723,CC12CCC(CC(CC[NH3+])C1)C21CC1,0,GDB ChEMBL
177123,N#CCCc1cc(=[NH2+])[nH]c(N)c1Cl,0,GDB ChEMBL
85828,CC1CC2C([NH3+])C[NH2+]C1C2C(C)(C)C,0,GDB ChEMBL
61923,[NH3+]C(CO)C1CC(O)C(O)CNC1=O,0,GDB ChEMBL
234404,CCC(CC)(C(F)(F)F)C1(C)CC(C)C(C)C1,0,GDB ChEMBL
383828,CC(C)C1CC2CCC1C2c1ccc(Br)cc1,1,GDB ChEMBL
218593,CC1CNCC(=O)[C-](C=O)N1c1nccs1,0,GDB ChEMBL
300157,C#CCC1CC(O)C2(CC[NH3+])CC(CC)C1C2,0,GDB ChEMBL
240496,CCC1(C2CN(C)CC2=O)OC1C,0,GDB ChEMBL
34341,CCC1CCCC2CCCCC(C2)C(C)(C)[NH2+]1,0,GDB ChEMBL
49165,CN1CC=C(C(F)(F)F)c2nn(C)cc2C1,1,GDB ChEMBL
363537,CCCCCCC(C)(C)C1(C)CC(C[NH3+])C1,0,GDB ChEMBL
26426,COCC1CC(C=O)NCC[NH2+]1,0,GDB ChEMBL
119389,CCc1c(N)nc(N)nc1Cl,1,GDB ChEMBL
362800,NC(=O)C1CC1(CO)c1nc(CO)no1,1,GDB ChEMBL
386616,C#CCC([NH2+]CC)C1(C)C=CCC1C,0,GDB ChEMBL
194265,NS(=O)(=O)CCO,1,GDB ChEMBL
195200,Cc1cc(O)c(C#N)n1CCC1CCCCO1,1,GDB ChEMBL
308300,Fc1ccc2c(c1)CC=C1CCOCCC12,1,GDB ChEMBL
290155,CN(C)C(=O)CC1(C(N)=[NH2+])CC1,0,GDB ChEMBL
318365,CC(CC([NH3+])C(C[NH3+])NCCO)S(N)(=O)=O,0,GDB ChEMBL
181696,CCC(C#N)C(COC)C1(CC)CCCC1,0,GDB ChEMBL
93465,CC1[NH+](C)CC2CC=CC21C,0,GDB ChEMBL
378122,CC(=[NH2+])NCC1CCC2(C)CC(N)C[NH2+]C2C1,0,GDB ChEMBL
387332,C[NH2+]C1CC(Cc2cnoc2)C1,1,GDB ChEMBL
83014,CC1(O)CC[NH2+]C(CC2COC(=O)O2)C1,0,GDB ChEMBL
17628,O=C1C2CC(C(=O)N2)C1O,0,GDB ChEMBL
62561,CC1(O)CC[NH+]=C(N)NC2CCCCC21,0,GDB ChEMBL
215377,CC1(C(=O)[O-])C2OCC(O2)C1O,0,GDB ChEMBL
171312,CCCC([NH2+]C)C1(C)CCC2(O)CC2C1,0,GDB ChEMBL
225866,CCC1=CC(CC)N2c3ccccc3CC12,0,GDB ChEMBL
395928,NS(=O)(=O)C1CC(O)C1[NH2+]CC(=O)[O-],0,GDB ChEMBL
323300,CCn1c(C(C)C2CCOC2=N)cc(C)c1C,1,GDB ChEMBL
299722,CCc1cc2c(c(C(F)(F)F)c1)C(C)=CC2,1,GDB ChEMBL
258328,COC1CC([NH3+])C2OCC1C2O,0,GDB ChEMBL
370244,CC(C)CC1CC2(C(=O)[O-])C(O)C2C1O,0,GDB ChEMBL
361646,CCCC1C(C)CC12CC(N)C(=O)O2,0,GDB ChEMBL
10623,CCNc1ncncn1,1,GDB ChEMBL
333069,NS(=O)(=O)C1OC(=O)C2C[NH2+]C1C2CO,0,GDB ChEMBL
277886,O=COCCC1(COCC(=O)[O-])C[NH2+]CC1O,0,GDB ChEMBL
339266,CC1NCC2(CC(O)C1[NH3+])OC(=O)NC2CO,0,GDB ChEMBL
288639,CC12OC1C=CC2C(O)CC(O)C(N)=O,0,GDB ChEMBL
36023,CC([NH3+])C(=O)N1C(CO)C1C(C)O,0,GDB ChEMBL
360805,CCC(C1CC[NH2+]CC1)C(C)(C)C[NH2+]C(C)C,0,GDB ChEMBL
218353,CC(=N[O-])c1c(S(N)(=O)=O)ncn1C(C)CO,0,GDB ChEMBL
382588,CCCc1csc(Cl)c(CC#N)c1=O,1,GDB ChEMBL
337819,COc1c(O)cc2c(c1Br)C(O)CCN2,1,GDB ChEMBL
363798,Ic1ccn2c(C3CCCC3)cnc2c1,1,GDB ChEMBL
222073,C#CC12CCCC(O)C1N2CC[NH3+],0,GDB ChEMBL
366489,CCCCC(CC1(CC)CC1)C1CC1,1,GDB ChEMBL
304314,CC1OCC2([NH3+])CCS(=O)(=O)NC2C1O,0,GDB ChEMBL
108133,COCCC[NH+]1CCCCC1(C)c1c[nH]cn1,0,GDB ChEMBL
332372,CNc1nocc1C(C)C,1,GDB ChEMBL
78328,[O-]c1cc(F)cc2ncoc12,1,GDB ChEMBL
346530,C#CCCC(C)C(C)(CCCC)C(C)(C)C,0,GDB ChEMBL
46037,C#CC1(C)C2C[NH2+]C(C(N)=O)C21,0,GDB ChEMBL
301144,CC1([NH3+])CCC(=O)N(C(N)=O)C1,0,GDB ChEMBL
203287,CCCC([NH2+]C)C1CCCCC(C)(C)CC1C,0,GDB ChEMBL
104591,C#CCC1CC(CC)[NH2+]CCC(C=O)CC1=O,0,GDB ChEMBL
200743,CCC1=CCC(=O)OC(C(C)O)C1,0,GDB ChEMBL
361825,NC(C[NH3+])C(O)C1NC(=O)CC1C[NH3+],0,GDB ChEMBL
203505,[NH3+]C1C2=CCCC2C2NC(=O)COC2C1O,0,GDB ChEMBL
81456,C#CC1CC(C)C(C)OC(CC)CC1[NH3+],0,GDB ChEMBL
301206,CC1(C(N)=O)C2CC(=O)CC(CO2)C1O,0,GDB ChEMBL
28330,CC1(C)CC1C[NH3+],0,GDB ChEMBL
147398,Cc1ccc(CC(C)(C#N)CC(C)C)s1,1,GDB ChEMBL
53692,C#CC1CC(C)=CC1CC(O)CC,0,GDB ChEMBL
167309,CCC1C2CCC=CCC2CC1(C)C(C)[NH3+],0,GDB ChEMBL
132730,CC(C[NH2+]CCCO)S(=O)(=O)C(=N)N,0,GDB ChEMBL
186706,CC(O)C(C)OCC(F)(F)F,1,GDB ChEMBL
29461,C#CC1=C(NC(C)=O)COC1,1,GDB ChEMBL
291895,[NH3+]C1CC1n1cccc1C(=O)[O-],0,GDB ChEMBL
99121,CNCc1c(N)c(I)nc(O)c1C#N,1,GDB ChEMBL
352847,Cc1cnc(NCCO)nc1C=O,1,GDB ChEMBL
323178,CCCCCC1([NH+](C)CC)CC=CC1,0,GDB ChEMBL
279103,O=C(C1CC1)C1CC(O)C2C[NH2+]CCCN12,0,GDB ChEMBL
660,COC1C2=CCCC2[NH2+]CC1C(C)O,0,GDB ChEMBL
267943,CCOC12C=C(C)C(CC)C(CC1)CC2,0,GDB ChEMBL
259543,[NH3+]C1C2CC1(NCCO)C2[NH3+],0,GDB ChEMBL
179158,Nc1cc(OC(C[NH3+])C[NH3+])c(F)cc1[N+](=O)[O-],0,GDB ChEMBL
353589,C#CC(CC[NH2+]C)CC(CC)CC(C)C,0,GDB ChEMBL
81728,C1=CC2(CC1)CC1CCCCC(C1)C2,1,GDB ChEMBL
149322,CCC(C)CCC1=CCCCC1,1,GDB ChEMBL
300208,CCOC(C)(CC(C)CO)C1CCCC1[NH3+],0,GDB ChEMBL
217707,CNS(=O)(=O)CC1(C)CC1CO,1,GDB ChEMBL
147218,CCC(=O)OC1CC1(C)C[NH3+],0,GDB ChEMBL
20714,CC(C)C[NH+]=C1NC(=N)C(CC(=O)C(=O)[O-])N1,0,GDB ChEMBL
25135,CC1CC2C3C(O)C(C3O)C1OCC[NH+]2C,0,GDB ChEMBL
304382,CC1[NH2+]CC(C(N)=[NH2+])C1NC(N)=O,0,GDB ChEMBL
216604,CC(C)C(O)C[NH+]1CCC2CC[NH2+]CC(C1)O2,0,GDB ChEMBL
269345,CC(C)C[NH+]1CC2CC(CC[NH3+])(C2)C1,0,GDB ChEMBL
265550,COC(=O)c1cccc(C=O)cncc(=N)[nH]1,0,GDB ChEMBL
79535,C#CCC1Cc2ncncc2O1,1,GDB ChEMBL
205737,CC1CC(O)(c2ccccc2)C1,1,GDB ChEMBL
129443,COC(=O)C(C)C1COS(=O)(=O)N1,1,GDB ChEMBL
372480,CC(=O)C1C[NH2+]C(CC#N)CC1(C)C,0,GDB ChEMBL
217019,CN(C)C(=O)C(=O)N1CC1C(=O)[O-],0,GDB ChEMBL
130403,N=C1CCC(C(N)=O)C(=O)N1,1,GDB ChEMBL
40874,CC(=[NH2+])NCC(NC=O)C1(C)[N-]C(=O)NC1=O,0,GDB ChEMBL
277630,CCC1(C(C)[NH3+])C[NH+](C)C1,0,GDB ChEMBL
103903,O=C1CCCC2OCCC2c2c(F)cncc21,0,GDB ChEMBL
281201,C#CCNc1ccc(CC2(C#N)CC2)cc1,1,GDB ChEMBL
274640,COC1CCCCC(C)CC1O,1,GDB ChEMBL
271556,O=C1NC2C[NH+]3CC2C1C3CO,0,GDB ChEMBL
317189,CC1CC[NH+](C)C2CC(C1O)N1CC21,0,GDB ChEMBL
53090,CCC1CN(C)C2C(O)C12[NH2+]C,0,GDB ChEMBL
274413,CC1OC(C[NH3+])C(=O)NC1=O,0,GDB ChEMBL
355310,C#CCC1CC=C(C)C1OCC,0,GDB ChEMBL
355831,C#CCNc1nc(C)c(O)c(S(N)(=O)=O)n1,0,GDB ChEMBL
98861,C#Cc1cc(C)oc1CCO,1,GDB ChEMBL
34170,CC([NH+]=C(N)N)C(O)C(N)CC(N)=[NH2+],0,GDB ChEMBL
275588,CCCCC1COC2C[NH2+]C2CC1C,0,GDB ChEMBL
317771,CC1(O)C(=O)OC1CCS(N)(=O)=O,0,GDB ChEMBL
104981,CCC1CC(O)(CCCCCOC)CO1,1,GDB ChEMBL
84542,CC[NH+](C)C(C)C(C)CN=C1COC(=O)N1C,0,GDB ChEMBL
307889,CCC1CCCC2CCC1CC2,0,GDB ChEMBL
290163,CC1=CC=C(CCNCC#N)C1=O,0,GDB ChEMBL
24719,CCN1C2CC(NC2=O)C(S(N)(=O)=O)C1C,0,GDB ChEMBL
132481,Nc1cccc2n[nH]c([O-])c12,0,GDB ChEMBL
276057,C#Cc1cn(CC(CC)CC)c(=O)c(N)c1F,1,GDB ChEMBL
99110,CCC(C)(COC)C1CC1,1,GDB ChEMBL
34743,N#CC(O)C1NCC(O)C1OCC[NH3+],0,GDB ChEMBL
66176,CCC1C2CC3CC12C(COC)[NH2+]3,0,GDB ChEMBL
113594,CCc1ccc2c(cc(C)n(C)c1)C(O)CN2,0,GDB ChEMBL
147898,CCc1nc(I)cc(C(C)C)c1NC(C)=[NH2+],0,GDB ChEMBL
378083,C[NH2+]C1C(Nc2c[nH+]c(C)n2C)CC([NH3+])C1O,0,GDB ChEMBL
259420,c1cc2ncc3c(c2[nH]1)CC[NH2+]C1CCC31,0,GDB ChEMBL
291509,CC1CCC2C(C=O)C2C[NH2+]1,0,GDB ChEMBL
128270,O=C1CC=C(C(=O)[O-])C#CCCCC1,0,GDB ChEMBL
358238,Oc1c(Br)cccc1C1COCC2NC21,0,GDB ChEMBL
70053,CC1CC12C(C)NC(=O)N2C,0,GDB ChEMBL
334647,CC1(C)C([NH3+])C1CC(=O)NCC1CC1,0,GDB ChEMBL
147244,[NH3+]C(C(=O)[O-])C1C(=O)OCC(O)C1O,0,GDB ChEMBL
110258,COC(=O)C1(C)NCC(C=O)C1OC,0,GDB ChEMBL
112054,CC1[NH2+]CCCCC=C1C(N)=[NH2+],0,GDB ChEMBL
87517,O=C1NCC2CC3[NH2+]C(C2)C2C1C32,0,GDB ChEMBL
363148,O=C([O-])C1C2CC(O)C1C2,0,GDB ChEMBL
170266,CCC1(C)CC[NH2+]CC(C)(C(O)C(N)=O)OC1,0,GDB ChEMBL
299582,Cc1cc(N)cc(C([NH3+])CCC(N)=[NH2+])c1,0,GDB ChEMBL
374059,CNC1(C(N)=O)C(O)C([NH3+])C(O)C1C(=O)[O-],0,GDB ChEMBL
16049,CCC1(C)C(=[NH2+])N(CCN)CC(C)C1O,0,GDB ChEMBL
375158,CCC(CC1([NH3+])C(O)C1C([NH3+])CC)OC,0,GDB ChEMBL
379411,COCCOc1cn(C)cc1OS(N)(=O)=O,1,GDB ChEMBL
18673,O=C1CC(NS(=O)(=O)CC(CO)=N[O-])CN1,0,GDB ChEMBL
216594,COc1cc(I)nc(O)c1N,1,GDB ChEMBL
141912,CCCOc1coc(=NCC[NH+](C)C)cc1C,0,GDB ChEMBL
340091,C[NH2+]C(CC[NH3+])CCC(C)(CC[NH3+])OC,0,GDB ChEMBL
71668,CC1C2OCC(C[NH+](C)CC23CC3)N1C,0,GDB ChEMBL
3829,CC1C2C=Cc3cccc4nccc(c34)C12,0,GDB ChEMBL
388233,CCCCCC1CCC(=N)O1,1,GDB ChEMBL
385462,CC(C(O)CO)C1(O)C2NC(=O)CS(=O)(=O)C21,0,GDB ChEMBL
248610,C#CC(C#C)C(C)(C)CC(O)CC1CCCC1,0,GDB ChEMBL
77835,CNC1=NCc2sc(NC(=O)CCO)nc21,0,GDB ChEMBL
37125,CC1=CC2=CCCCC2(C)C1C,1,GDB ChEMBL
161424,CCC(CC)C(CC)(CC)C1CCCC(C)C1,0,GDB ChEMBL
159914,CCOC(C=O)(C=O)CC,1,GDB ChEMBL
89346,N#CC(=N[O-])C(=O)N1CCC1,1,GDB ChEMBL
368432,CC(NC(=O)CCO)C(=O)[O-],1,GDB ChEMBL
206798,COCC(=O)[N-]S(=O)(=O)c1cscn1,0,GDB ChEMBL
87694,CC#CCc1n[n-]c(=O)c(C[NH3+])c1C#N,0,GDB ChEMBL
175881,CNc1nc(C(C)C)c(O)cc(COC)c1=O,0,GDB ChEMBL
67602,CCCOc1cc(F)cn2cccc12,1,GDB ChEMBL
299733,CC(=O)NC1=NCC([NH3+])C1O,0,GDB ChEMBL
289388,C[NH2+]C(C)c1cc(CC(C)(N)C#N)c(Br)cn1,0,GDB ChEMBL
382954,CCC1CC(=O)C(CO)=CC=C(C)C1,0,GDB ChEMBL
35321,CC1CC(C)C(C)(C(C)C[NH2+]CCO)CC1C,0,GDB ChEMBL
8739,N=C(N)NC(=O)CCCS(=O)(=O)[O-],0,GDB ChEMBL
151184,CCC(CC[NH3+])C1=CC2CC=CCC2CC1,0,GDB ChEMBL
266258,CC(O)C[NH2+]C1C(=O)N(C)C(C2CO2)C1N,0,GDB ChEMBL
363201,CC(C)(O)CCCOCCOC=O,1,GDB ChEMBL
217129,CC[NH+]1CC=CC(C)C1C1CNC(C#N)C1,0,GDB ChEMBL
171274,CCCC1CC2C=CC1C1CCCC21,0,GDB ChEMBL
120828,CC[NH2+]C(CC)C1C2CC(C)CCC21C,0,GDB ChEMBL
339961,N=C1CC(NC(=O)NC(=[NH2+])NCCO)CCO1,0,GDB ChEMBL
156503,CCCC1CC2CC(=O)C(C2)C1C(C)C(C)C,0,GDB ChEMBL
148171,CCS(=O)(=O)NC1C(C)C1CC([NH3+])C(N)=O,0,GDB ChEMBL
246412,CCC(O)CCC12CC(C(=O)O1)C2[NH3+],0,GDB ChEMBL
93145,CCC1CCC2C3CC(C)C(C3CC)C2(C)C1,0,GDB ChEMBL
280744,NC(=O)C1C([NH3+])C1NC(=O)NCC(=O)[O-],0,GDB ChEMBL
179161,CCCC1NC(=O)OCC2COCC1C(=[NH2+])N2,0,GDB ChEMBL
155782,NC(=O)C(O)(C(=O)[O-])C(O)C1CN1,0,GDB ChEMBL
135395,CC1=CC(=[NH2+])NCC=CC1CCCO,0,GDB ChEMBL
248270,CCCc1cc(Br)c2c(c1)CC(C)=CC2C,1,GDB ChEMBL
388429,CC(CC1CN2CCN=C2O1)C([NH3+])C(=O)[O-],1,GDB ChEMBL
56655,CC(C(CO)C(=O)C1C[NH+]=C(N)N1)C(C)(C)C,0,GDB ChEMBL
83054,O=CCc1cc(NC(=O)CO)cs1,1,GDB ChEMBL
367819,CCC1(C2CC2)OCC(OCCC[NH3+])CO1,0,GDB ChEMBL
334770,N=C(N)NS(=O)(=O)CC(C[NH3+])C[NH3+],0,GDB ChEMBL
35297,CCOC(C)(C)CCCOCC(C)=O,1,GDB ChEMBL
346555,C#CCCCCC1(CC)CCCC([NH3+])C1,0,GDB ChEMBL
317704,CCC1C[NH+]2CC3CC([NH3+])C2C13,0,GDB ChEMBL
126979,Cc1c2c(cc(=O)n1CC(N)=O)C(O)C([NH3+])C2,0,GDB ChEMBL
358853,COC1(CCC(C)CO)CCCC1,1,GDB ChEMBL
119866,CN(CC[NH3+])C1CC2CCCC[NH2+]C21,0,GDB ChEMBL
217127,CCC1CC2(C)CC1C1CCC(C)C2C1CO,0,GDB ChEMBL
334150,CCOC(C)C1(C)CC1CC(C)CC,1,GDB ChEMBL
289816,C=CC[NH+](CC)CC1CC(=C)C1O,0,GDB ChEMBL
391643,CCC(C)(Cc1ccn[nH]1)[NH+]=C(N)N,0,GDB ChEMBL
175547,C=C(C)CCCC=CCC1CCC1,1,GDB ChEMBL
347907,CC1CC([NH3+])C[NH+](C)C2(C)CC(CO)OCC12,0,GDB ChEMBL
23562,COc1ccc(CNC(=N)NC=O)c(C)c1N,1,GDB ChEMBL
372604,O=C1C(O)CCC(O)C2CN12,1,GDB ChEMBL
288603,CC1OC(C)C2[NH2+]C1C2CO,0,GDB ChEMBL
44593,CCC1C2CCCC2C2(O)CC[NH+](CC)C12,0,GDB ChEMBL
182487,CC1(C(=O)[O-])OCc2c(O)csc2CNC1=O,0,GDB ChEMBL
197225,C#CC1CC(C)(C)CCCc2cc(Br)ccc21,0,GDB ChEMBL
347909,[NH3+]CCOCCc1nn[n-]n1,0,GDB ChEMBL
387057,Nc1nn(C2CC2O)cc1OCCC[NH3+],0,GDB ChEMBL
375703,CC1NC2=[NH+]CC(CO)N2CC(=N)OC1=O,0,GDB ChEMBL
146902,CC[NH2+]C(C)(CC(=O)[O-])CC1CC(C)O1,0,GDB ChEMBL
214010,C#CCC(C)(C)[NH2+]CCc1ccco1,0,GDB ChEMBL
377910,CC(C[NH3+])NCC1CC[NH2+]1,0,GDB ChEMBL
325891,CCC12C3OCC(C)C1C([NH3+])C(=O)N2CC3[NH3+],0,GDB ChEMBL
240766,NC(=O)NC(=O)C1(C(N)=O)C([NH3+])C1O,0,GDB ChEMBL
277575,CCC1CCCCCOC(C)C1CC(=O)CO,0,GDB ChEMBL
332369,NC(=O)COCC1CNC=[NH+]1,0,GDB ChEMBL
261370,C[NH2+]CCC(C)Nc1noc(=N)c(C(=O)[O-])n1,0,GDB ChEMBL
305844,N=C(N)N1C(=O)OCC2CC(O)(C2)C1=O,0,GDB ChEMBL
185286,N=C(N)NC(=O)c1oncc1[N+](=O)[O-],1,GDB ChEMBL
378913,CC1=CC[NH+](C2CCC(=O)C2)C1,0,GDB ChEMBL
217132,O=C([O-])C1CC23CC[NH2+]CC2NCC(=O)N13,0,GDB ChEMBL
146010,CC#CCCC(C)CO,1,GDB ChEMBL
313710,COCC1(OC=O)CC[NH+](C)C1,1,GDB ChEMBL
195467,C[NH+]1C2CC3COC2C(C(=O)[O-])C31,0,GDB ChEMBL
374324,CC(O)CC(C)(C#N)CN1CC(O)C(C[NH3+])C1,0,GDB ChEMBL
225427,[NH3+]C1CC(=O)NC2CNS(=O)(=O)OC12,0,GDB ChEMBL
317694,CCCCCc1cc(I)c(C)c(I)c1,1,GDB ChEMBL
340135,CC1COC12C(C(N)=O)NCC2(N)C#N,0,GDB ChEMBL
392746,CCC1=CCC(C[NH3+])CC1(C)CC,0,GDB ChEMBL
255491,COCC12CC([NH3+])C(CC1(C#N)CO)O2,0,GDB ChEMBL
124748,COCC(C)Cc1cc(C)c(N(C)C)c(Cl)c1,1,GDB ChEMBL
269175,C=C(C)CC(C)(C)CCOC1CC1,1,GDB ChEMBL
152062,N=C(N)NC(=O)CC(=O)C1OC(=O)C1O,1,GDB ChEMBL
84932,CCC(C)(CCO)C(C)=O,1,GDB ChEMBL
379893,C#Cc1cc2ccccc2c(F)c1C1CC1,1,GDB ChEMBL
249592,COc1c(O)cscccc(C)c1C(C)O,0,GDB ChEMBL
84940,C#CCCC(CC1CCCC1CC)C(C)(C)C,1,GDB ChEMBL
271821,C#CCc1ccc2cc(C)c(Br)cc2c1,1,GDB ChEMBL
313723,C#Cc1ccn[nH]c1=O,1,GDB ChEMBL
95212,Cc1sc(OCC[NH3+])nc1OCC(N)=O,0,GDB ChEMBL
150103,COCC1C2CC1(C(C)O)C(O)C(=O)N2,0,GDB ChEMBL
202828,CCN1CC2CC2[NH+]=C1N,0,GDB ChEMBL
179147,Cc1[nH+]c(C(C)C)n2c1NCC2,0,GDB ChEMBL
283281,CCOC12C(C)C[NH2+]C1C2OC,0,GDB ChEMBL
309840,Cc1oc2c(I)cccc2c1CC1CC1,1,GDB ChEMBL
223261,CC1C2OC2C([NH3+])C2CC1[NH+](C)C2,0,GDB ChEMBL
115147,COC1CC(C)CCC(C)(C)C12CCC2,1,GDB ChEMBL
129442,c1ncc(C2NC2C2CC2)cn1,0,GDB ChEMBL
77060,CN(C1CNC(C#N)C2C([NH3+])C21)S(C)(=O)=O,0,GDB ChEMBL
126390,CC1(C)COC(=O)N1c1c[nH]c(=[NH2+])cc1F,0,GDB ChEMBL
305153,NC(=O)C(CO)C(C[NH3+])C1CN1C(N)=O,0,GDB ChEMBL
33559,C#CCC(CO)OC(=O)CC#N,1,GDB ChEMBL
191402,NC(=[NH2+])N1C(=O)NC2CC(O)C([NH3+])C21,0,GDB ChEMBL
70800,CC1(O)CCOC2c3c(cc[nH+]c3N)OC21C,0,GDB ChEMBL
366515,[NH3+]CC1C(=O)OCC12CCC2,0,GDB ChEMBL
263287,CC(C)CCc1ncc2n1CCC2O,1,GDB ChEMBL
271483,CNC(=O)c1cc2n(c1)C(C#N)=CC2C[NH3+],0,GDB ChEMBL
395957,CCC1(C)CCC(=O)OC2(COC(C)C2)C1C,0,GDB ChEMBL
51032,CCCC(c1ccc(CC)cc1)C(C)C,1,GDB ChEMBL
215297,CC1CC2CC1C#CCCC[NH+]2C1CCC1,0,GDB ChEMBL
372186,CNC(=O)N1C=NC(CO)C1=O,1,GDB ChEMBL
271513,Cc1nc(NC(N)=O)c(N)cc1C(N)=O,1,GDB ChEMBL
120397,CN(C)C(=O)C(C(C[NH3+])CO)S(N)(=O)=O,0,GDB ChEMBL
177162,COC(C)(C)C1CCC(CC2(C)CC2)CC1,1,GDB ChEMBL
292325,CC1CC2CCC[NH+]1CC2,0,GDB ChEMBL
28259,CN=c1nc(C)nc(NC(C)=O)s1,0,GDB ChEMBL
350661,CC(C)(O)C1CC[NH2+]C1,0,GDB ChEMBL
9822,CCC1C[NH2+]CCC2OCC(CC)(CC2C)O1,0,GDB ChEMBL
322898,CCCC1CC=CCC(CC)C(C)C2CC12,0,GDB ChEMBL
204506,C#CC1CCOCC(O)C2C[NH2+]C(COC)C12,0,GDB ChEMBL
118695,CC=CCC(C)(C)CCC(C)(C)C,1,GDB ChEMBL
153260,[NH3+]CCC1CC(O)C(O)C(=O)[N-]S1(=O)=O,0,GDB ChEMBL
387264,CCC1CC2C=CC1C1CC(C)(C)CC21,1,GDB ChEMBL
112664,CCOc1cc(OC)nc(N)nc1=N,0,GDB ChEMBL
33167,CCCC(CC(C)C)[NH+]1CC2CC(C2)C1,0,GDB ChEMBL
209708,CC(CC(C(=O)C(=O)[O-])C(O)C(=O)[O-])C(=O)[O-],0,GDB ChEMBL
62578,C#CCCCCCC1CC([NH2+]CCC)CN1C,0,GDB ChEMBL
47191,CCOCCC1C2CC(CC)C(C2)C1CC,1,GDB ChEMBL
345523,CCC#Cc1ccc(C)c(C2CC2C)c1C,1,GDB ChEMBL
353940,C[NH+]1Cc2[nH]cnc2C2CNC(=O)CCC21C,0,GDB ChEMBL
233433,COC(=O)Cc1csc(S(N)(=O)=O)n1,1,GDB ChEMBL
61810,CC#Cc1cc(C#CCC)c(Cl)cc1C,1,GDB ChEMBL
124864,CCC1C2=CCC1CC=CCCCC2,1,GDB ChEMBL
186764,N=C(N1CCC([NH3+])C1=O)S(=O)(=O)[O-],0,GDB ChEMBL
122940,C#CCC(CCC(C)(C)CC)CC(F)(F)F,1,GDB ChEMBL
395926,COc1cc(N)c(C[NH3+])c2[nH]nnc12,0,GDB ChEMBL
71443,CCC(=O)C(O)CCNc1nc(N)cnc1Br,1,GDB ChEMBL
353955,C[NH+]1CC(CCO)C1CS(=O)(=O)[O-],0,GDB ChEMBL
183491,CC1CCC2=C(CCC=CC2)NC1=O,0,GDB ChEMBL
23515,N#Cc1c(C(N)=O)nnn1CCC(N)=[NH2+],0,GDB ChEMBL
49103,N#CC1C(O)C(O)C(O)C(O)(CO)C1C(=O)[O-],0,GDB ChEMBL
24012,CC(O)C(C#N)CC(C)(O)CC(C[NH3+])C(C)O,0,GDB ChEMBL
126868,CCC1Cn2ccnc2C2(CO2)C[NH+]1CC,0,GDB ChEMBL
197232,CC(C(=O)NC(N)=O)N(C)C(=[NH2+])CN,0,GDB ChEMBL
175574,Cn1cc(I)c(N)c(C2(C)COC(N)=N2)c1=O,0,GDB ChEMBL
398755,C#CCCCC(C)Nc1cc(N)[nH+]c(I)c1C,0,GDB ChEMBL
18328,CCCCCc1ccn2c1CC2(C)C,0,GDB ChEMBL
115165,CC1CCC=CC2C[NH+]2CC1,0,GDB ChEMBL
295918,C=CC(C)C[NH2+]C(CC[NH3+])CC[NH3+],0,GDB ChEMBL
385386,C#Cc1c(Cl)c(CC)c2[nH]ncc2c1N,1,GDB ChEMBL
132528,Cn1nnc(NCCO)c1NC(N)=O,1,GDB ChEMBL
366761,CCc1cnc2n1CC(C[NH3+])C2C,0,GDB ChEMBL
112642,Cc1cccc(CC(C)OC=O)c1Cl,1,GDB ChEMBL
181171,CC1=CCC2(C)CC1CCCC2C(F)(F)F,0,GDB ChEMBL
70861,COC(=O)C(N)C(=O)N(C)C=N,1,GDB ChEMBL
68655,CNC(C(N)C#N)C1CC([NH3+])C(C(N)=O)CN1,0,GDB ChEMBL
345504,CCC(C)=CN(CC#N)C(=O)OC,1,GDB ChEMBL
337782,Cc1csc(Cc2ncnn2C)n1,1,GDB ChEMBL
244545,CNc1ccc(I)c(C#N)c1NC,1,GDB ChEMBL
41040,CCCOCC([NH3+])Cc1ncnnc1Cl,0,GDB ChEMBL
112848,CC1OC2(C)CC1[NH2+]CC2C,0,GDB ChEMBL
240208,C#CC1C=CC[NH+]1CCOC,0,GDB ChEMBL
142969,CC(C)CCOC1(C)CC2CC=CC1C2,1,GDB ChEMBL
347877,CCC1C(C)C1c1c(Br)cc(C)cc1Br,1,GDB ChEMBL
136420,CC(C)C(C#N)CCC1(O)CC=CC1,1,GDB ChEMBL
258332,OC(C1CCC(c2cncs2)CO1)C(F)(F)F,0,GDB ChEMBL
304835,CC1C(C[NH+]=C(N)N)CC(C)(C)C[NH+]1CCO,0,GDB ChEMBL
219507,N#CC1COC2CCC([NH3+])CNC2C1,0,GDB ChEMBL
21673,CCCCC1[NH2+]C2CC2(O)CC(C)C1O,0,GDB ChEMBL
236599,CCCC=CC(C=O)=C(C)COC,0,GDB ChEMBL
233453,Cc1coc(Cc2c[nH+]ccc2N)c1,0,GDB ChEMBL
268112,C#Cc1c(F)c(F)c2c(c1F)CC[NH+](C)C2,0,GDB ChEMBL
389469,C[NH2+]CC(CC#N)CNCC(=O)NC=N,0,GDB ChEMBL
144626,C#CC[NH+]1CC2C(C)C2CC1C=C,0,GDB ChEMBL
198642,O=C([O-])CC1C2N=C3COC(CO)CN3C12,0,GDB ChEMBL
115588,CC([NH3+])C1COC2C(O)COC12,0,GDB ChEMBL
124779,CC(O)C1NS(=O)(=O)C2C(=O)NC1C2C[NH3+],0,GDB ChEMBL
58476,N=C1NC2CCC(O)C1OC2=O,0,GDB ChEMBL
235976,CC[NH2+]C1C(C(C)=O)C1(C)C,0,GDB ChEMBL
40910,CCc1c(C)c(C)cc(COC2CC2)c1Br,1,GDB ChEMBL
175853,COCCC(C)(C)C1([NH3+])C=C(C)CNC1=O,0,GDB ChEMBL
132862,OCCC1(O)CCCC(O)C2CCC[NH2+]C21,0,GDB ChEMBL
318106,CCCc1c(C)cc(Cl)c(C2(C)CC2)c1Cl,1,GDB ChEMBL
71311,N#CCNC(=O)C(N)(CN)C[NH3+],0,GDB ChEMBL
288638,COCC(O)CNC(=[NH2+])CS(=O)(=O)[O-],0,GDB ChEMBL
304608,N=C1NC(=O)COC2C(O)COC2C1O,1,GDB ChEMBL
388459,CN1C(=O)OC2OCC[NH2+]CC21,0,GDB ChEMBL
366617,CCC(C)CCC1C2C3C=CC([NH2+]3)C12,0,GDB ChEMBL
318036,CCC(CO)C(C)CCCC(=O)COC,1,GDB ChEMBL
354810,NC(=O)OC1C(=O)NCC2OC(=O)C1O2,1,GDB ChEMBL
136732,CC1=CCC2CC1(C)C1CCCCC21,0,GDB ChEMBL
284380,CCCC(C)C1CC(C2(C)CC2)CC1(C)C,0,GDB ChEMBL
127149,CCCC(C#N)C(C)(CC(C)CC)C(=O)CC,0,GDB ChEMBL
194295,NC(=O)OC1C=CCN2C(C(=O)[O-])C12,0,GDB ChEMBL
236741,CCC1C(C)CC2=CC1CCCCC2,0,GDB ChEMBL
321384,CCC(C)C1CC2CC(C)=CCCC1(C)C2,0,GDB ChEMBL
242667,CCOC1C2CC3[NH2+]C2C(O)C31,0,GDB ChEMBL
103947,Cn1c(C[NH3+])cc(N)c1C(N)=O,0,GDB ChEMBL
363004,CC1CC(C#N)C2CN2CC1O,0,GDB ChEMBL
345497,CC([NH3+])C(O)CCOCC(=N)NC(N)=[NH2+],0,GDB ChEMBL
115191,CC1C=C(C#N)CC(C)[NH+]1C,0,GDB ChEMBL
244470,CC=CC=CCC(C)OCCCC,1,GDB ChEMBL
127238,Nc1ccc(F)cc1C1CO1,1,GDB ChEMBL
228520,O=c1c2c(cc3n1CC3CO)NCC[NH2+]C2,0,GDB ChEMBL
175831,[NH3+]C1CC2OC(=O)C1C2([NH3+])CCO,0,GDB ChEMBL
382550,CC1C2C3CC=CCCCC(CC3)C12,0,GDB ChEMBL
162480,CCCC([NH3+])(CCC(C)C)C(C)C,0,GDB ChEMBL
140859,CC1(CS(N)(=O)=O)NC(=O)CC(=O)C=C1N,0,GDB ChEMBL
54060,COC1C[NH2+]C(CCO)C=C1CO,0,GDB ChEMBL
102155,CCc1cc2c(cc1Cl)C(C)OC(=N)CCC2,1,GDB ChEMBL
259623,CNC1C(=O)OC(C[NH3+])C1OC,0,GDB ChEMBL
316487,CCC1(CC(=O)[O-])NCC1=O,0,GDB ChEMBL
47520,NC(=O)C1OCC(C[NH3+])CC1[NH3+],0,GDB ChEMBL
382967,CC12CC([NH3+])CC(CC(C)(C(F)(F)F)O1)C2O,0,GDB ChEMBL
77251,COCC12C(O)C3C4C3C1CC42,0,GDB ChEMBL
147276,CC(C)C(=O)CCC[NH2+]Cc1ccsc1,0,GDB ChEMBL
337409,CC(CC12C(CC#N)C1[NH+]=CN2C)C(=O)[O-],0,GDB ChEMBL
347920,Cn1cnc(O)c1CC(=O)[O-],0,GDB ChEMBL
107792,COCC1C2=CCC(=O)NC2C1O,0,GDB ChEMBL
314919,CC1C([NH3+])COC(=O)NC(=O)N1C,0,GDB ChEMBL
253629,CC1=CC=CC(CCC(F)(F)F)C(C)=C1,0,GDB ChEMBL
68483,CC1NC2=NCC(CCC(=O)OC2)C(O)C1=O,0,GDB ChEMBL
391771,CC1CC(O)C(CN)(C(=O)[O-])[NH2+]1,0,GDB ChEMBL
40296,C#CCCC(=O)C1CCC(C)=CC12CC2,1,GDB ChEMBL
2383,C#CC1(C(C)N)CCCCC[NH2+]1,0,GDB ChEMBL
235615,CC(C)CC(C)c1cccc2c1C1CC2C1,1,GDB ChEMBL
70285,C[NH+]1CCCC12C(C)(C)CCCC2(C)C,0,GDB ChEMBL
44073,CCCc1cc2c(cc1C)C(C)C(=[NH+]C)NC2,0,GDB ChEMBL
53289,CC(O)(C(N)=O)C1NCC([NH3+])C(O)CC1[NH3+],0,GDB ChEMBL
350884,COC1(C(C)=O)C2CCC21,1,GDB ChEMBL
207357,O=C1CC2C[NH+](C2)C(CO)C=CN1,0,GDB ChEMBL
312539,Oc1cc(O)c2cncc(F)c2c1F,1,GDB ChEMBL
37643,NC(=O)C(N)C1[NH2+]CC2CC21,0,GDB ChEMBL
95213,CCCC(C)CCC1(CC)CC(=O)C1,1,GDB ChEMBL
372583,N#CC1OC(=[NH2+])NC1CC[NH3+],0,GDB ChEMBL
132290,CCC1(C([NH3+])C(O)CO)CCO1,0,GDB ChEMBL
47790,N#CC12CC([NH3+])C(CC[NH3+])C1C2(O)CO,0,GDB ChEMBL
136438,C#CC([NH2+]C)C(CCOC)c1ccc(Br)nc1,0,GDB ChEMBL
281218,CC1=CCC2CC(C1)C1C(C)CCC21C,0,GDB ChEMBL
261428,CC1C(C=O)N1S(=O)(=O)C(C)CC(=O)[O-],0,GDB ChEMBL
44629,Cc1occ2c(CCC(C)C)c(O)cc(Cl)c12,1,GDB ChEMBL
381448,COC(C)C12C(N)=[NH+]CC1(CO)NC(=O)C2N,0,GDB ChEMBL
169072,CC=C(c1ccc(F)cc1)C1CC1,1,GDB ChEMBL
53723,CC[NH+](C)CCC1CC=C2C=CCC21,0,GDB ChEMBL
318759,CC(O)(CC#N)CS(C)(=O)=O,1,GDB ChEMBL
333660,CCC([NH3+])C(C)CC1(C)C[NH2+]CC([NH3+])C1,0,GDB ChEMBL
269209,C[NH2+]C1(CC(C[NH3+])NC(N)=O)C(C)C1OC,0,GDB ChEMBL
93104,C[NH+]1CC=CCCN2CC1CCCC2(C)C,0,GDB ChEMBL
380605,C[NH+](C)C1CC(C(=O)[O-])NC2(C)C([NH3+])C12,0,GDB ChEMBL
132683,COC(C)=NC1CC([NH3+])CC1O,0,GDB ChEMBL
338111,CC1CC2(C)CC(CCC2CO)[NH2+]C1C,0,GDB ChEMBL
370349,C=CCC(CC=C)C(C)CC#CC,0,GDB ChEMBL
355759,NC1=[NH+]C(C2C[NH2+]C2)Cc2c(O)cccc21,0,GDB ChEMBL
245847,CCC1CCC(C)CC2CCCC1C2(C)CC,0,GDB ChEMBL
163904,CC12CCC3C(CC=CC31)CC2O,0,GDB ChEMBL
157730,C#CC12C=CC(CC1[NH+](C)CC)C(CC)C2,0,GDB ChEMBL
356504,CCC(C)(C)C1Cc2nccc(Br)c2C1,1,GDB ChEMBL
337072,C#CC1C(C(=O)[O-])NS(=O)(=O)C1C,1,GDB ChEMBL
10563,C=C1C2CC1(C[NH+](C)C)CC2CC,0,GDB ChEMBL
341196,Cc1cc(C=O)cc2ccc(Cl)cc12,1,GDB ChEMBL
13911,CCCCC1(C)CC2CC(C)N1C2(C)C#N,0,GDB ChEMBL
228500,CC#CC(C=O)CO,1,GDB ChEMBL
69583,C#CC1=C(C)CNc2ccccc2OCC1,0,GDB ChEMBL
40023,CCC1(CC)C=CCC=CCCC(C)C1,0,GDB ChEMBL
338585,CC1=CCOCC(=O)OC12CC(O)C2,0,GDB ChEMBL
382995,CCC[NH+](CC)C1CC=CCC2OC2C1C,0,GDB ChEMBL
243940,CC(C)N(C)C(C#N)C(=O)OC(=N)C(=N)N,1,GDB ChEMBL
342351,CC(CN1C(=N)C(C[NH3+])CCC1=O)NC(N)=O,0,GDB ChEMBL
248238,CN1C2(C)CCNC(=O)OCC12C,0,GDB ChEMBL
108735,CCn1cc(Br)c(C)c(C)c1=O,1,GDB ChEMBL
345437,C[NH+]=C(N)Oc1c(C#N)cc(N)nc1N,0,GDB ChEMBL
235603,CC12NC(C1[NH3+])C2CC(=O)[O-],0,GDB ChEMBL
119880,CC1=CC2CC[NH+](C)C2C1O,0,GDB ChEMBL
203196,CC1C(C(N)=[NH2+])NC(=O)C([NH3+])C1O,0,GDB ChEMBL
338896,N#Cc1c(CCO)noc1CO,1,GDB ChEMBL
121114,CN1C(=O)C2OCC1C1OC(=O)C2O1,0,GDB ChEMBL
70880,CC(=O)COCC(C(=O)[O-])C1C[NH2+]1,0,GDB ChEMBL
37108,CNC(=O)NC(C)(C)c1cnc(N)c(C#N)n1,0,GDB ChEMBL
271375,CC1CN(C2CC[NH2+]C2)CCC(C)(C)C(C)[NH2+]1,0,GDB ChEMBL
280279,CCCCC[NH+](C)CC(C)(C)C(F)(F)F,0,GDB ChEMBL
278900,CC(=N)Oc1ncnc(C)c1F,1,GDB ChEMBL
59571,CC1C[NH2+]C2C(=O)COC3CC3C12,0,GDB ChEMBL
132553,CCC(C)C1(O)C[NH2+]C1C,0,GDB ChEMBL
155187,CC1CCC2C3CC([NH3+])C(C3)C2(C)C1,0,GDB ChEMBL
148901,COc1cc2cc(CCC(N)=O)sc2c(Cl)n1,0,GDB ChEMBL
197024,NC(=[NH2+])NCC(N)C1C([NH3+])COCC(O)C1[NH3+],0,GDB ChEMBL
169476,CC12CC(O)CC(C(C#N)C1)C(C[NH3+])O2,0,GDB ChEMBL
339933,CCC1C2COC(C)C1C=C2C,0,GDB ChEMBL
376015,Nc1ccc2c(c1I)CC=CCCCC2,1,GDB ChEMBL
382532,CC1OC(C)(C)CC1(CCC[NH3+])CC(C)(C)C,0,GDB ChEMBL
244643,NC(=O)C(CC[NH3+])C(NC=O)C(=O)[O-],1,GDB ChEMBL
77363,CC1CN2C(CO1)C(C)C(=O)C1CC12,1,GDB ChEMBL
235221,CC(C[NH3+])NC1CC(O)(C#N)C(=N)NC1=O,0,GDB ChEMBL
383055,CCC1(C#N)C=CC(O)C1CC(C)C,0,GDB ChEMBL
132326,C=C(C)C(C[NH3+])(CNC=O)COC,0,GDB ChEMBL
668,CC[NH2+]C(CO)C12CCC1C2,0,GDB ChEMBL
84946,CC(C)CC1OC2CCC1C2O,1,GDB ChEMBL
83060,O=C1CN=C2NC(c3cnccn3)CCN12,0,GDB ChEMBL
77829,CCCC(C)c1ccc(Cl)cn1,1,GDB ChEMBL
285728,C[NH2+]CCCC([NH3+])(CO)C(C)C#N,0,GDB ChEMBL
23945,C#CC1CCC(C)(CCC(=O)COC(C)C)[NH2+]1,0,GDB ChEMBL
112770,CC1=NCC(C([NH3+])Cc2ccoc2)NC(=O)O1,0,GDB ChEMBL
161371,O=CC(O)C1CC[NH2+]C1,1,GDB ChEMBL
259557,CC1c2cccc(Cl)c2C=CCC12CC2,1,GDB ChEMBL
124278,CC(COCC#N)CC1CC1,1,GDB ChEMBL
374228,CCN1CC(O)C2C(=N)OC(=O)C21,0,GDB ChEMBL
342367,[NH3+]C1CC2[NH2+]CC2CC1C(=O)[O-],0,GDB ChEMBL
109158,CCC1COC1CCCCC#N,0,GDB ChEMBL
318534,N#CC1CNC(=O)CC[NH2+]CCO1,0,GDB ChEMBL
244317,O=C1NC(=O)N(CS(=O)(=O)[O-])C1CO,0,GDB ChEMBL
372710,CC1CCC(C(C)CCC(C)(C)C)C1,1,GDB ChEMBL
101477,C#CC1CC(O)C(C(=O)OC(C)C)C1,1,GDB ChEMBL
390541,CCC1(CC)CCCCC[NH2+]1,0,GDB ChEMBL
61767,CCCNC(=O)NCCCS(=O)(=O)[O-],0,GDB ChEMBL
50920,C=C(C)C1C2CN1c1ccccc12,0,GDB ChEMBL
103868,C#CCN=C(OCC)c1c(C)ccc(Cl)c1Cl,1,GDB ChEMBL
27954,CCC(C)(C)C1C2CCCC(C)C1CCC2C,0,GDB ChEMBL
350677,CCn1ccc2[nH]c(CCO)nc21,1,GDB ChEMBL
162484,COC1CC2(O)CCC1C2,1,GDB ChEMBL
307522,Cn1ccc2cccc(Cl)c21,1,GDB ChEMBL
316493,CC(=O)OC(C#CCO)C(N)=[NH2+],0,GDB ChEMBL
151220,CCN=C(C)N(C(=O)NC)C(C)C(N)=O,1,GDB ChEMBL
156746,O=C1NC2C(O)CC(O)CC2O1,1,GDB ChEMBL
84984,[NH3+]CC1CC(=O)OCCN=C(NC=O)C1,0,GDB ChEMBL
242956,C#Cc1c(F)c(CC)nc2c1C[NH2+]C2,0,GDB ChEMBL
39734,Cc1cnc2cc(O)c(C(C)O)cn12,1,GDB ChEMBL
178021,O=C([O-])Cc1cc(Cl)noc1=O,0,GDB ChEMBL
133144,C=C1C(=O)C(C)CC(OC)C1CC,1,GDB ChEMBL
139828,COCCC1C2C3CC(C(O)C[NH2+]3)C(C)C12,0,GDB ChEMBL
201070,CC1=CC2CCCCC3OCC(C)(C1)C23,0,GDB ChEMBL
119852,C#CC1=NC(CC(CC)C[NH2+]CCC)C(C)O1,0,GDB ChEMBL
77256,CC(NC(N)=[NH2+])C1N(C)C2CC1(O)C2O,0,GDB ChEMBL
12790,CCC(C(C)C)C(CC1CCCCC1)C(C)C,1,GDB ChEMBL
337772,C[NH2+]C1C2OC1C1C(C(N)=O)C21,0,GDB ChEMBL
243939,Cc1cnc(Cl)c(Cc2nn[n-]n2)c1,0,GDB ChEMBL
59606,C#CC1CCC(CC)CCc2ccc(F)cc21,0,GDB ChEMBL
112840,O=C([O-])CNS(=O)(=O)Cc1cscn1,1,GDB ChEMBL
334355,Cc1nsc(C(=O)[O-])c1NCC(C)C(O)C[NH3+],0,GDB ChEMBL
118877,CC1CC2CCCC(O)C(C(C)C)CC2(C)C1,0,GDB ChEMBL
361793,CCCC(CC1CCCCC1)C1CC1,1,GDB ChEMBL
87493,CCC(C)C1(C[NH3+])CCCC1,0,GDB ChEMBL
358257,CNc1c(C#N)ccc(N)c1NC(C)C(C)O,1,GDB ChEMBL
252518,CC(C)C(=O)NC(=N)C=O,1,GDB ChEMBL
234251,O=CC1(CO)CC(=O)CC1O,1,GDB ChEMBL
163418,CCCCc1ccc(I)c(C(C)C(C)(C)O)c1,1,GDB ChEMBL
169084,C#CC1C(C)C2C[NH+](CC3CC3)CC2C1C,0,GDB ChEMBL
81052,CC(CCO)C1CC(C)([NH3+])C2CC1C[NH2+]2,0,GDB ChEMBL
177214,CCC(O)C(=O)OCC(O)S(N)(=O)=O,1,GDB ChEMBL
134428,CC1(C)CC2=CCC1CC=CCCC2,1,GDB ChEMBL
1993,CC(OC(N)=O)C1CC([NH3+])C(=O)NC=N1,0,GDB ChEMBL
339057,CCOCC1(OC)CC([NH3+])C1,1,GDB ChEMBL
228473,C[NH2+]Cc1sc(C)nc1C(=N)N,0,GDB ChEMBL
358099,[NH2+]=C(CC(O)CC(=O)[O-])N1CC1,0,GDB ChEMBL
300518,Cc1c(N)cc2n1CCCC(COC(N)=O)O2,0,GDB ChEMBL
118842,CC1C2CCC(O)C23C[NH+]1C3,0,GDB ChEMBL
234382,COC12CCCCC([NH2+]CC1)C(C)CC2(C)[NH3+],0,GDB ChEMBL
249583,C[NH2+]C1CC(=O)NCC(=NO)C1C,0,GDB ChEMBL
173126,CC(CO)OC1CN=CNC1C#N,0,GDB ChEMBL
98597,CC1OCC[NH2+]CCC(CC(C)(C)C[NH3+])O1,0,GDB ChEMBL
334726,C#CCCC(C)(C(C)C#C)C(C)CCC,0,GDB ChEMBL
152057,CNC(C[NH2+]C)C(N)C[NH3+],0,GDB ChEMBL
40257,N=c1[n-]nc(NCC(=O)[O-])nc1O,0,GDB ChEMBL
280311,NC(=O)NC(=O)CC1NC(=O)NCC1=O,0,GDB ChEMBL
99397,NC(=[NH2+])C1C[NH+]2CCC=CC1C2,0,GDB ChEMBL
289946,CCCC(CC)C1(C)CC2C(C)CC1C2CC,0,GDB ChEMBL
84885,COC(=O)C1NCC1(C)C=O,0,GDB ChEMBL
201065,C#CC1(CC)CCC(C(=O)[O-])C(C)(CC)CC1,0,GDB ChEMBL
255113,CCCc1cc(F)nc(CC(=O)CC#N)c1C,1,GDB ChEMBL
124111,C[NH2+]C(CNC(N)=O)C(N)(C[NH3+])CO,0,GDB ChEMBL
304077,CCc1cccc2c1C(C)CC1C(C)C1C2,0,GDB ChEMBL
68510,CC1CC(O)C2([NH3+])C(C)N(CC(N)=O)C12,0,GDB ChEMBL
310121,CCCOc1c(C)cc(F)c(C)c1N,1,GDB ChEMBL
13160,CCCC1CCC=CCC(C)[NH2+]CC[NH2+]C1,0,GDB ChEMBL
358873,CNC(=O)N1C(=O)NC(C)C2CC21,0,GDB ChEMBL
322914,CC1C=CCCC2(C1)C[NH+](C)CC2C,0,GDB ChEMBL
343252,CS(=O)(=O)NC1C(=O)NC2C1C2(N)C#N,0,GDB ChEMBL
195233,CCC(C1CC1)C1CC(O)C1,1,GDB ChEMBL
378942,C#CCCCc1nnc(C(C)C)c(Cl)n1,1,GDB ChEMBL
26357,CCC[NH+]1C(C)C2OCCCC3C2C31CC,0,GDB ChEMBL
81454,C#CC(C)(C)c1ccc(C)cc1CC,1,GDB ChEMBL
318049,NC(=O)OC1C([NH3+])C1(CO)C(O)C(=O)[O-],0,GDB ChEMBL
277593,COC(C(=O)[O-])C1(O)CC(CO)C(C)(C#N)C1,0,GDB ChEMBL
299773,NC(=[NH2+])NC(C(=O)C(N)=O)C1COCC(=O)C1,0,GDB ChEMBL
9851,CC1([NH3+])C2CC([NH3+])CC21C(C#N)C(=O)[O-],0,GDB ChEMBL
156753,C=CCNC(=[NH2+])C1C[NH2+]CC(O)C1,0,GDB ChEMBL
117389,[NH3+]C(C(=O)[O-])C1CN2CC2S(=O)(=O)[N-]C1=O,0,GDB ChEMBL
47204,CC(C)C1C2CCC1C(C)C=CCO2,1,GDB ChEMBL
338495,CC1CCCC=CC2CC1C2,0,GDB ChEMBL
126920,CCC1C2CC3CC(C3)CC1C1CCC2[NH2+]1,0,GDB ChEMBL
61886,C=C(C#N)C(O)C([NH3+])C(O)C(=O)[O-],1,GDB ChEMBL
308268,CC(O)C1N2CC1(CC[NH3+])C2,0,GDB ChEMBL
379385,COc1ccc(O)nc1CCOC=N,1,GDB ChEMBL
261475,CN1CC(O)C2(CN2C(N)=[NH2+])C1=O,0,GDB ChEMBL
215398,CCOC1(C=O)COC2(CCCCNC2=O)C1,0,GDB ChEMBL
365794,CC([NH3+])CC12CCC(C1)OC1C[NH2+]CC12,0,GDB ChEMBL
393555,CCC1CCCC2C1CC1C2C1(C)C,1,GDB ChEMBL
261332,CC1CCCC12CCC2CCC(F)(F)F,0,GDB ChEMBL
34152,CC(O)CC1(C=O)CCC(C)CC(=O)C1,0,GDB ChEMBL
21462,CCCC1(C)C2C3CC[NH2+]C(C3O)C21,0,GDB ChEMBL
2157,CNC(=O)OC1=NCC(C(=O)[O-])=C1,0,GDB ChEMBL
358128,Cc1c(Cl)ccc2c1C1CCCC1CC2,1,GDB ChEMBL
29257,CC1[NH2+]C(C)C(C[NH3+])C(O)C1C,0,GDB ChEMBL
302430,NC1=Nc2ncc(Cl)cc2C[NH2+]C1,0,GDB ChEMBL
136047,COCC1C2[NH2+]CC3(C(=O)[O-])C2N3C1C[NH3+],0,GDB ChEMBL
76703,CCCC1(C)CC(C(C)[NH3+])CC2CC21,0,GDB ChEMBL
13763,CCCC1C2CCC(C)C1(C)CC(C)[NH2+]2,0,GDB ChEMBL
207012,CCC1CNC(=O)OC2C([NH3+])C2N1CC#N,0,GDB ChEMBL
157372,N#Cc1scnc1CC(O)C[NH3+],0,GDB ChEMBL
88175,N#CCN1C(N2CCCC2=O)=NCC12CC2,0,GDB ChEMBL
223520,CCC1CC(=C(COC)C(=O)[O-])C1,0,GDB ChEMBL
247233,COC(CO)CCOCC(O)CCC=NO,1,GDB ChEMBL
89368,CCc1c(C)cc(N)c(CC2CC2)c1Cl,1,GDB ChEMBL
79532,C[NH+](C)C1C=CC(C[NH3+])C1,0,GDB ChEMBL
251072,COCC(C)C(O)Cn1ncncc1=O,1,GDB ChEMBL
195274,CNC(=O)C(NC(N)=[NH2+])C1CO1,0,GDB ChEMBL
387266,CCC1CC2(O)CCCC(C)C1CC2O,0,GDB ChEMBL
374047,CC(CC1(O)C(=N)OCCC1[NH3+])C(=O)[O-],0,GDB ChEMBL
338848,CC1CCC2CC(C(C)(C)O)OC1(C)C2,0,GDB ChEMBL
384289,C#CCC1OC2CC(C)CCC2C1OCCC,1,GDB ChEMBL
296052,CN(CC[NH3+])C(=O)C([NH3+])CO,0,GDB ChEMBL
346526,CCCOc1noc2cc(F)c(F)cc12,1,GDB ChEMBL
132835,C#CC(C)([NH3+])CCCCC1(CC[NH3+])COC1,0,GDB ChEMBL
127227,C#CC1(COC(C)=O)OC1C(CC)=N[O-],0,GDB ChEMBL
348420,CC1(C)CCC2CC3(CC3)CC2C1,1,GDB ChEMBL
368466,C[NH2+]CCN=C1NC(=O)CO1,0,GDB ChEMBL
25177,CC1CC[NH+]2CCC(C2)C(C)([NH3+])COC1,0,GDB ChEMBL
141949,CC1CC[NH+](C)C2C(=O)N(C)C(=N)C(C[NH3+])C12,0,GDB ChEMBL
115417,[NH3+]C12CC(O)C(C1)[NH2+]C2C(=O)[O-],0,GDB ChEMBL
114805,CN1CCOC2CC1C2[NH3+],0,GDB ChEMBL
338815,CS(=O)(=O)Cc1cc(NC(N)=O)cs1,1,GDB ChEMBL
362844,NC(=O)CN1CC2NC(=[NH2+])C(C[NH+]=C1N)C2O,0,GDB ChEMBL
228444,NC(NCC(=O)[O-])=[NH+]c1nccnc1O,0,GDB ChEMBL
25150,NC(=O)c1nncnc(=O)c1CC(=O)[O-],0,GDB ChEMBL
263236,CC12CC(OCC(=O)[O-])C1N2,0,GDB ChEMBL
303908,C[NH2+]CC1CC(C(C)O)COCC1C,0,GDB ChEMBL
354381,CC12CC1CC[NH+](CCO)C2CO,0,GDB ChEMBL
31995,C#CC1C(=O)N(C(=N)NCC)C1C(C)(C)O,0,GDB ChEMBL
24284,CC1C(CC[NH3+])CC1(C)C(N)=O,0,GDB ChEMBL
309812,CCc1c(N)nnn1C(=O)NC(=O)NCCO,1,GDB ChEMBL
70161,CC=CCC1C(C(F)(F)F)C1(C)C,0,GDB ChEMBL
201151,Cc1cc2c(C3CCC3)nsc2n(C)c1=O,1,GDB ChEMBL
216156,Brc1ccnc2c1CCC2OC1CC1,1,GDB ChEMBL
114413,CC1=CC(C)(CO)C=C(C)C=C1,0,GDB ChEMBL
354405,COc1cc(CO)nc(N(C)CC(N)=O)n1,1,GDB ChEMBL
252299,CC1(C(=O)NC(N)=O)[NH2+]CC2CC1C2,0,GDB ChEMBL
18358,Cc1cc(O)c(=O)c(NC(=O)C[NH3+])nn1,0,GDB ChEMBL
315254,CNc1c2c(cc3c(C)c[nH+]cc13)CCC2,0,GDB ChEMBL
147266,CN=C1OC(=O)CCOC1C(N)=O,1,GDB ChEMBL
133169,CC1CCC2C3NC(CO)C(=O)C23O1,0,GDB ChEMBL
330105,NC(=O)c1cnoc1NCC(=O)[O-],1,GDB ChEMBL
337991,NC(=[NH2+])NCC(N)CN(C=O)C=O,0,GDB ChEMBL
285111,C[NH2+]CC(CO)C(C)[NH+]=C(N)N,0,GDB ChEMBL
358807,NC1=CC(=O)CC(CO)NC1,1,GDB ChEMBL
19372,C#CC12CCCC(C)=CCCC(=O)N1C2,1,GDB ChEMBL
244629,C#Cc1ccc(COC)c(C#C)c1,1,GDB ChEMBL
355121,CCC(O)CCC[NH+](C)CC(N)C(C)OC=[NH2+],0,GDB ChEMBL
397924,C[NH+]1CC=CC=CCC(C)(C)CCCC1,0,GDB ChEMBL
328840,CCOCC1(O)C=CC[NH2+]CC=C1,0,GDB ChEMBL
262524,COc1c(Br)cc(C#CCC=O)cc1Br,1,GDB ChEMBL
61274,C[NH+]=C(N)OC1(C(=O)OC)C(=O)NC1C,0,GDB ChEMBL
141878,CNC(C#N)C1C(O)C(=O)NCC(C#N)C1C,0,GDB ChEMBL
304828,O=C1CCC2OCCNC=C12,0,GDB ChEMBL
385382,COc1c(C)oc2cc(Cl)cc(C)c12,1,GDB ChEMBL
112893,CCCC1(CC(C)(C)CC)CO1,1,GDB ChEMBL
249565,CC(C)(O)C1[NH2+]C1C1CCCOC1,0,GDB ChEMBL
48485,Cc1cc(N)c(O)n(C)cccn1,0,GDB ChEMBL
368211,COCC[NH2+]CC(O)C(C)Nc1noc(N)n1,0,GDB ChEMBL
221133,CC#CC(C)(CC)[NH2+]CCCC,0,GDB ChEMBL
26951,CCC#CC(CO)c1cccc(Br)c1,1,GDB ChEMBL
246770,OCC1CC2OCC1OC2CO,0,GDB ChEMBL
50908,CCCOCC1C2C[NH2+]C3C2C3N1C,0,GDB ChEMBL
150159,COC12COCC(C[NH3+])(C(O)C1)C2C(=O)[O-],0,GDB ChEMBL
108716,CCCC(O)CN(C)CC#N,1,GDB ChEMBL
209686,NC(=[NH2+])C1C[NH2+]CCC(O)C1N,0,GDB ChEMBL
320283,CC1OC(C[NH3+])C2CC2C1CCC[NH3+],0,GDB ChEMBL
185921,NC(=O)C1[NH2+]C2CC(CC[NH3+])C(O)C21,0,GDB ChEMBL
294770,CCc1cc(I)c(CC)c(CC(C)(C)C)c1C,1,GDB ChEMBL
191691,CC1CC2C3CCOCC(C1O)C32,0,GDB ChEMBL
174260,CC1CC(O)C2(C[NH3+])C(N)C2N1C,0,GDB ChEMBL
305524,Fc1ccc(Cc2ccccc2)cc1F,1,GDB ChEMBL
38765,CC(C)[NH2+]C1(C)CC(=NO)C1NCC(N)=O,0,GDB ChEMBL
395643,CC(C)(C)C(=O)N1C(CO)CC(C)(C)C1CO,0,GDB ChEMBL
96040,CNC(N)=[NH+]CC(=O)NC(=N)C(N)C#N,0,GDB ChEMBL
215733,CCC(CC)C1CC(CCC(O)COC)C[NH2+]1,0,GDB ChEMBL
340092,N#CC(C=O)N1CC(O)C1,1,GDB ChEMBL
305075,Cc1cc(O)c(N)c2sncc12,1,GDB ChEMBL
124313,N=C1OC(=O)C(N)CC1C([NH3+])C(=O)[O-],0,GDB ChEMBL
218586,CC1(C(=O)[O-])C(CO)NC(CO)CN1C(N)=O,0,GDB ChEMBL
104446,C[NH+](C)C(CCO)C1(O)CN=CNC1=O,0,GDB ChEMBL
6091,C#CCNCC(C[NH3+])C(C#N)C(O)CC(N)=O,0,GDB ChEMBL
280273,C[NH2+]C1CC2C(O)C[NH+](C1)C2C,0,GDB ChEMBL
324281,CCCC1(C)CC#CCCCC(CC)C1,0,GDB ChEMBL
354108,CCc1cnc(I)nc1COCCO,1,GDB ChEMBL
352875,CNC(=O)OCC1CC2(C)C(=O)COC12,0,GDB ChEMBL
20779,CC1=CC(C)(O)CCOCCC1C1CC1,0,GDB ChEMBL
348425,CC1C2CCCC1C1(CO)CC1C[NH2+]2,0,GDB ChEMBL
317149,CC1[NH2+]CC1OCC(C#N)CCCCC#N,0,GDB ChEMBL
129575,C#CC1(c2ccc(F)c(CC)c2)C=CCC1,0,GDB ChEMBL
300130,CC1OC(=O)C2CC(=O)NC2C1S(N)(=O)=O,0,GDB ChEMBL
183475,Cc1ccc(F)c2c1C(C)(C)C1(CC1)C2,1,GDB ChEMBL
313335,CC[NH2+]C1CC(C)C(=CC#N)C1C,0,GDB ChEMBL
44608,CC1CC(=O)C(C(C#N)CO)C(O)C1C(N)=O,0,GDB ChEMBL
351347,CC(C)S(=O)(=O)NCCCC1NC1C[NH3+],0,GDB ChEMBL
141998,NC(=[NH2+])C1CC(CO)C1,0,GDB ChEMBL
19660,CC(=CNCC(C#N)CO)C(=O)[O-],0,GDB ChEMBL
59195,CCC1C(C)CCCCC1C(C)(CC)C(C)C,0,GDB ChEMBL
85655,[NH3+]C1CC2C([NH3+])C(O)C(=O)N2C1,0,GDB ChEMBL
71454,CN=C(C#N)N1CCCC1C,1,GDB ChEMBL
9850,Cc1nc(N)c(N)cc1C(N)=[NH2+],0,GDB ChEMBL
49174,NC(=O)C1CC(=O)CC(=O)N1,1,GDB ChEMBL
38914,COc1nc(C)c(C(CN)[NH+]=CN)c(O)c1N,0,GDB ChEMBL
101510,CCC(O)C1(C)CC2C[NH2+]C(C1)C2C,0,GDB ChEMBL
341173,CNC1C(=O)C2C(CO)N2C(=O)C1O,0,GDB ChEMBL
299750,COC(=O)C1OCOC2C(=O)NC(C2[NH3+])C1O,0,GDB ChEMBL
33520,CNC(C#N)C(C[NH3+])c1ccon1,0,GDB ChEMBL
7431,C=CCC1CC(C)C(C#N)CC1C,1,GDB ChEMBL
121777,CCOC1OCCC2(C[NH+](C)C)C(C)C12,0,GDB ChEMBL
363808,CCCC(C)C(C)(C)C(C)C(C)C(O)COC,0,GDB ChEMBL
99399,CC1COC(=O)C(c2cnc[nH]2)N1,1,GDB ChEMBL
362618,CCC1C([NH3+])C(O)C1(OC)C(=O)NC=O,0,GDB ChEMBL
143793,CC1NC(CC[NH+]=C(N)N)CNC1=[NH2+],0,GDB ChEMBL
36045,COC(CO)CCCCC#Cc1ccn[nH]1,1,GDB ChEMBL
132542,C#CCC(CC)C1=CCCCCCC1,0,GDB ChEMBL
33110,CCCC[NH+]1CCC(CC)(C(C)[NH2+]C)C1(C)C,0,GDB ChEMBL
101473,CCCC1=CC(OC(C)(C)C)C(C)CC1C,1,GDB ChEMBL
274926,N#CC1Nc2nccn2C1C(N)=O,0,GDB ChEMBL
353262,C#CC1=CC2C(C)CCCC=CC2C1,0,GDB ChEMBL
251899,CCC(=O)OCC(=O)C=CS(C)(=O)=O,1,GDB ChEMBL
351158,CCC1(CC)CCC(CC(C)C)C1C(=O)OC,0,GDB ChEMBL
60926,CCC1CC(C)C(CN2CC2)O1,1,GDB ChEMBL
24307,CC1CC(C)[NH+](C(C)C)C2CC1C(C)(C)C2,0,GDB ChEMBL
326459,CCc1c([N+](=O)[O-])c2onc(OC)c2n1CC,0,GDB ChEMBL
251808,CCC1CC=CCC(CC2CC2OC)CC1,0,GDB ChEMBL
197470,CC1[NH2+]C2CC3C(CCO)C2C13,0,GDB ChEMBL
112450,CC1NC(=O)CC23CN2C(=O)C(O)C13,0,GDB ChEMBL
351427,CCC1CCNS(=O)(=O)CC(C(C)(C)C)O1,1,GDB ChEMBL
118152,C#CC([NH2+]CCC)C(C[NH3+])CC1COC1C,0,GDB ChEMBL
93419,CC(C)C1CC2C(O)CCOC2C1C,1,GDB ChEMBL
320269,CCC[NH2+]CCC1CC1(C)C[NH3+],0,GDB ChEMBL
383959,CN=C1OC(C)C2C(C(=O)[O-])N12,0,GDB ChEMBL
312180,COCc1cc(N)c([N+](=O)[O-])c(=N)n1C,1,GDB ChEMBL
120677,CCC1CC2C(C[NH2+]1)C2C(=O)[O-],0,GDB ChEMBL
288582,C#CCC1(C)C(=O)C(CCOC)C(C)CC1C,0,GDB ChEMBL
305364,C#CC(O)(C#C)C(CCC(C)[NH3+])C1CCCC1,0,GDB ChEMBL
137440,CCC(C)[NH2+]C(CO)CO,1,GDB ChEMBL
162926,N#Cc1cnc(N)n1CCC(=O)[O-],1,GDB ChEMBL
387252,CC([NH3+])C1CNC2C(=O)OC2C1C,0,GDB ChEMBL
222574,CC[NH+](C)CCC1CC2C=CC1C2(C)O,0,GDB ChEMBL
186049,NC1(CO)C([NH3+])(CO)C12CC(=O)NC(=O)O2,0,GDB ChEMBL
331462,NC(=O)CCC1CN1CS(N)(=O)=O,0,GDB ChEMBL
40919,CC(=O)N1C(=O)OC2COCC1(C[NH3+])C2O,0,GDB ChEMBL
319361,CCC1CCCC(C)(C)C(C)C1C(C)C,0,GDB ChEMBL
324055,NC(N)=[NH+]C1(C(=O)[O-])C2CC(NC(=[NH2+])O2)C1O,0,GDB ChEMBL
307880,C=CCC(=O)C1C(C)N1CC(C)C,0,GDB ChEMBL
93433,Cc1ccc(I)c(C(N)C#N)c1,1,GDB ChEMBL
118872,C=CC(C=CCCC)CCC(=C)C,1,GDB ChEMBL
280266,CC1CC(NCC(=O)OCCO)=[NH+]C1(C)CN,0,GDB ChEMBL
59573,CC(O)C(CC[NH3+])COc1nnn(C)n1,0,GDB ChEMBL
227606,CN1CC(C[NH3+])NC(=O)C(O)(C([NH3+])C(=O)[O-])C1,0,GDB ChEMBL
161112,CCc1c(C=O)c(O)cc(N)c1OC,1,GDB ChEMBL
21692,CC(O)C([NH3+])(CC[NH3+])C1(C(C)C)COC1,0,GDB ChEMBL
133352,O=C([O-])COC(=O)n1nncc1CO,1,GDB ChEMBL
23924,CC(C)C1C2C3CC3COC(=O)CN12,0,GDB ChEMBL
341179,CNc1nn[nH]c(=O)c1C(N)=O,0,GDB ChEMBL
318494,C[NH2+]C1C(=O)NC2CC([NH3+])CC21,0,GDB ChEMBL
184894,CC1OC1C(C)([NH3+])C(=O)NC(CO)C(N)=O,1,GDB ChEMBL
214711,CC1NC(=O)C2C[NH2+]C3C(N2)C13,0,GDB ChEMBL
61889,CCC1(CC)C=CCC1CC(C)C,0,GDB ChEMBL
330730,[NH3+]C1C2CCS(=O)(=O)NCC(O2)C1O,0,GDB ChEMBL
284677,N#CC1(CO)OCCCNc2cc(Cl)ncc21,0,GDB ChEMBL
141960,O=C1CC2OCCNC23C(O)C3N1,0,GDB ChEMBL
120674,CC(CN1C(=O)CCC1=O)OCc1ncsn1,1,GDB ChEMBL
263404,CC1=C(C(=O)[O-])C2C(O)C2C[NH+]1C,0,GDB ChEMBL
356550,COC1C(C#N)CC(C=O)NC1C,0,GDB ChEMBL
182081,NC1=[NH+]C(CO)C(O)C2NC(=O)C1CC2O,0,GDB ChEMBL
93111,CC1=CCC2=CC[NH+](CCC1)C2,0,GDB ChEMBL
112649,CC1(C(O)CO)CC(O)C(=O)O1,1,GDB ChEMBL
324002,CC(C)(C)OC1CCOC1=O,1,GDB ChEMBL
119280,CN(CC=O)C(=[NH2+])Cc1ccc2[nH]cnc2c1,0,GDB ChEMBL
198786,CC(C)[NH+]1CCC(N)(C(N)=[NH2+])C1C(=O)[O-],0,GDB ChEMBL
40281,CC1CCC2NC(=O)CNCc3coc(c3)C12,0,GDB ChEMBL
369864,CC1C2OC2C(NC(N)=[NH2+])C1(C)O,0,GDB ChEMBL
294746,CCCOc1cnc(Cl)c(-n2cccc2)c1,1,GDB ChEMBL
70167,CC(=O)N1C(CNC=O)=C(CC#N)CC1C,0,GDB ChEMBL
59631,CCC1CCC23C(C)CC4CCC[NH+]4C2C13,0,GDB ChEMBL
399013,CCC[NH+]1CC2C(C1C)N2CC,0,GDB ChEMBL
68493,CCCCCC1(C)C[NH2+]CC1(C)CC(C)C=O,0,GDB ChEMBL
232061,C1=CC2CCCCCCC(CCC1)C2,1,GDB ChEMBL
350322,CC1CCC([NH3+])C2C(C1O)N2C,0,GDB ChEMBL
277089,CC(C)N(C)C=[NH+]CC1CC1,0,GDB ChEMBL
168436,CCN1CC([NH3+])C2C(C)C=CC1CC2[NH2+]C,0,GDB ChEMBL
191329,CN=C(NCC#N)NC(=O)CC(=O)CO,1,GDB ChEMBL
209664,CNC(=O)C(=N)NC1CC(O)C([NH3+])C1C,0,GDB ChEMBL
312891,CCCC1C2CCC(C)([NH2+]C1C)C(C)C2,0,GDB ChEMBL
35316,[NH3+]C1C2NC(=O)C(C(O)CO)NC12,0,GDB ChEMBL
280493,CC1OCC2[NH+]3CCC12C(O)C3,0,GDB ChEMBL
51052,CCC(=O)c1cn(CC(=O)C(C)C)cc1NC,1,GDB ChEMBL
147914,NC(=NCC1[N-]C(=O)NC1=O)NC=O,0,GDB ChEMBL
77873,C[NH2+]CC1CC(CC(C)C)N2CC(C=O)[NH+]=C12,0,GDB ChEMBL
81577,C#CCCC(CC1=CCC(C)(C)C1)C(C)C,1,GDB ChEMBL
26938,C#CCn1cc(NC)ccnc(O)c(C#C)c1,0,GDB ChEMBL
382186,CC1CC2CC[NH2+]CC2C1,0,GDB ChEMBL
9732,CC#CC(N(C)CC)C12C[NH2+]CC1C2,1,GDB ChEMBL
249805,C#CCC(C)CC(C#N)(CCC#N)CCCC,1,GDB ChEMBL
305269,CC(C)C1(OCC[NH3+])CC1O,0,GDB ChEMBL
190070,CC(O)C([NH3+])CC(NCC[NH3+])S(N)(=O)=O,0,GDB ChEMBL
325890,CC(CCCCC1CC1)C(C)(C)C(C)(C)C,0,GDB ChEMBL
266510,CCCC12C3OCC1N2CC([NH3+])C3C(=O)[O-],0,GDB ChEMBL
174670,CCC(C)CC1C[NH2+]C(C)(CC[NH3+])C(C)O1,0,GDB ChEMBL
305473,CN1CC(O)C(O)C(OC=O)C1,1,GDB ChEMBL
195404,C#CCC1CC1c1ccnc(F)c1F,1,GDB ChEMBL
245532,NC1C(NC(C[NH3+])CC(=O)[O-])C1([NH3+])CO,0,GDB ChEMBL
184272,CS(=O)(=O)NC=N[C-](C#N)C(=O)[O-],0,GDB ChEMBL
273410,C#CCC1C2C[NH2+]C(CC[NH+]1C)C2,0,GDB ChEMBL
179319,CCCC1(C)C(C)CC2CC(C)C1(C)[NH+]2CC,0,GDB ChEMBL
171281,Cc1cc(CC23CCC(C2)C3)cc(Cl)c1Cl,1,GDB ChEMBL
365801,CCCc1c(=O)[nH]c(I)c2ccncc12,1,GDB ChEMBL
310781,CCC1(C)CCC2C[NH+]=C(N)CC(=O)N21,0,GDB ChEMBL
75452,CC1CC(C([NH3+])CN)C2OC12,0,GDB ChEMBL
386423,C#CC(CC1CCC[NH2+]1)C(CC)(CCC)OC,0,GDB ChEMBL
27809,C#CC1(C)C[NH2+]CC1CCC,0,GDB ChEMBL
266249,C#CC(C#C)C(C)c1ccc(C)c(F)c1C,0,GDB ChEMBL
119634,CC1[NH2+]CCCC(C)(C)[NH2+]CCCC1(C)O,0,GDB ChEMBL
67611,C=C(C)CCC1CC(C)CC1(C)C,1,GDB ChEMBL
99142,[NH3+]CCC([NH3+])C1C2[N-]S(=O)(=O)C1OC2=O,0,GDB ChEMBL
308259,CC(N)C(=O)OCC1([NH3+])C(CO)C1CO,0,GDB ChEMBL
201106,CCCCC(CC)c1c(C)nc(CCC)n1C,0,GDB ChEMBL
144612,C#CCCC(CC)(CC)CC=CC,1,GDB ChEMBL
204331,C[NH2+]C12CC(C)C(C(=O)OC1=N)C(CC[NH3+])C2,0,GDB ChEMBL
23595,C#CC1(OS(N)(=O)=O)C(C)NC(=O)C1N,0,GDB ChEMBL
133369,COC(=O)Nc1nc(=N)[nH]nc1NC(N)=O,1,GDB ChEMBL
127877,CCOC1CC12CC[NH+](C)C2,0,GDB ChEMBL
208270,CN(C)C(=O)Nc1nnn(C)n1,1,GDB ChEMBL
180841,NC(=[NH2+])NCC1C(=NO)CC(=O)C1O,0,GDB ChEMBL
149368,CCC(CC)C1(C)CC(C)C=CCC1C,0,GDB ChEMBL
318156,COC(=O)CC(C)C1CCOC2CC21,0,GDB ChEMBL
223969,CCCN(C)C(C)=[NH+]CCNC(=NC)NC=O,0,GDB ChEMBL
45032,O=C([O-])C12CC(O)C(OCCO)C1O2,0,GDB ChEMBL
295914,C=CC1C(C)[NH2+]C(C)C1C(=O)CC,0,GDB ChEMBL
130648,CC1OCC2C3NCC(CCC[NH2+]C12)OC3=O,0,GDB ChEMBL
198842,C[NH2+]C1C(C)COC(S(N)(=O)=O)C(O)C1O,0,GDB ChEMBL
209423,CCc1csc(C(N)=O)nc(N)cnc1C=O,0,GDB ChEMBL
302334,CCN(CC(=O)CCO)CC(C)(C)OC(C)=N,1,GDB ChEMBL
261207,CC#CC(=O)n1ccc(C#N)c1C,1,GDB ChEMBL
86744,CC1CC(=O)C2CC1C(C)(C)C(C)C[NH+]2C,0,GDB ChEMBL
385912,CC#CC1C(C(=O)C(C)(C)C)CN1C,0,GDB ChEMBL
40868,[NH2+]=C1NCC2OCCC(O)C2O1,0,GDB ChEMBL
351297,CC(C)[NH2+]C(CCC=O)C(=O)c1ccn(C)c1,0,GDB ChEMBL
330737,NC(=[NH+]CC(=O)[O-])OC(C[NH3+])C[NH3+],0,GDB ChEMBL
393580,CC1OC(C(=O)[O-])C(O)C(=O)N2CC12,0,GDB ChEMBL
248870,CN1C(=O)C2C(O)C1C(O)C1OC12,0,GDB ChEMBL
382218,CC1[NH2+]CC2(CC=CC2)C1O,0,GDB ChEMBL
161370,N#CC1CC([NH3+])C(=O)[N-]C(C#N)C1N,0,GDB ChEMBL
249634,CCC12CCCC=C1CC(C)CCC2,1,GDB ChEMBL
157421,COC(C)C1OC(C)(C)C2CC2C1C[NH3+],0,GDB ChEMBL
244620,COC1=[NH+]C(C)C(CNc2ncns2)CN1,0,GDB ChEMBL
358235,CC(C)OC[C-](C#N)C#N,0,GDB ChEMBL
377295,CC(O)(C1CNCC[NH2+]1)C(C=NO)C(N)=O,0,GDB ChEMBL
281016,Cc1c(C(C)(C#N)CO)cc(F)c(F)c1C=O,1,GDB ChEMBL
299562,C=CCC1CC2(CC=C)C[NH2+]C1C2,0,GDB ChEMBL
242976,CCC1CCCC2CCC(CC2C)C(C)C1,0,GDB ChEMBL
88144,CN=C(NC(=O)[N-]S(C)(=O)=O)C(C)O,0,GDB ChEMBL
157435,CC(C)C=Cc1cc(Br)ccc1Br,1,GDB ChEMBL
337929,COCC(O)C1C(C)C([NH3+])C1C(N)=O,0,GDB ChEMBL
61272,CC1COC(C)OC(=O)C1,1,GDB ChEMBL
150139,CC(C)C12OCCCC1CCC2CC(O)C[NH3+],0,GDB ChEMBL
202853,CC1NC(C(N)=O)C(O)C1([NH3+])CCO,0,GDB ChEMBL
124836,COCC(=O)NC1(C)C(O)C1O,0,GDB ChEMBL
305497,CC([NH3+])CCC1COC(=[NH2+])NCCO1,0,GDB ChEMBL
190785,O=C1CC(=O)C(c2ccoc2)CO1,1,GDB ChEMBL
44096,CC1C[NH2+]CCC(C)(C)C1[NH3+],0,GDB ChEMBL
132436,N#CC1C[NH2+]CC1C(O)CO,0,GDB ChEMBL
193773,CCC(CC)Cc1cc(F)c2c(c1)C(C)CC2,1,GDB ChEMBL
215483,CC(C1CC=CC=CCC=CCC1)C1CC1,0,GDB ChEMBL
20550,COC1CC(C)C(=O)C(C(=O)CO)C1,1,GDB ChEMBL
289844,O=C1CC2(CO1)CN(Cc1cnc[nH]1)C2,1,GDB ChEMBL
234960,COC12C(O)CS(=O)(=O)C1C2NC(N)=[NH2+],0,GDB ChEMBL
205925,CCC1CC2CCC(C2)CC(C(C)C)CC1C,0,GDB ChEMBL
56663,CCC(=O)N(C)CC(C(N)=[NH+]C)c1cscn1,0,GDB ChEMBL
180853,CCC1(O)COCC1C(NC)C(N)=[NH2+],0,GDB ChEMBL
261470,CCC(=O)C1NCc2cc(C=O)c(F)cc21,1,GDB ChEMBL
2081,CCC1C(C)CC2CN(C)C(N)=[NH+]C21,0,GDB ChEMBL
195442,CC1=Cc2ccc(Br)c(C)c2CC(C)(C)C1,0,GDB ChEMBL
180838,O=C1NCC2C=CCC23CC1CO3,0,GDB ChEMBL
156513,CC[NH2+]C(CC1(C[NH3+])CC[NH2+]C1C)C(C)C[NH3+],0,GDB ChEMBL
81402,CCOc1cn(C(N)=O)nc(OCC)c1=O,1,GDB ChEMBL
244582,C[NH+]=C(N)OC(C)(C)CC=O,0,GDB ChEMBL
337393,[NH3+]C1Cc2ccc(Br)c(Br)c2C1,0,GDB ChEMBL
127221,CC1=CC([NH2+]C(C)C)(C(C)O)CNC1=O,0,GDB ChEMBL
260144,CC[NH2+]CC(=O)C(C#N)CC,1,GDB ChEMBL
205759,CN1C2CC(C)(C)C(NC(=O)CC[NH3+])C21,0,GDB ChEMBL
283270,CC1CC2C(C)C=C(C(N)=O)C2O1,0,GDB ChEMBL
239333,CC12CC3CC[NH+](C3C(O)CO)C1C2N,0,GDB ChEMBL
352855,CC1NC2(C(N)=O)C(C#N)C2C(C)C1O,0,GDB ChEMBL
363786,CC1CCCC(C)C(C[NH3+])C(C)(C)CCC1C,0,GDB ChEMBL
166447,Fc1cncn2nnc(CC3CC3)c12,1,GDB ChEMBL
140744,CC(=O)CN1C=CC(=O)C(O)CC1,1,GDB ChEMBL
41597,CCC1CCC#CC[NH+](C)C2CC1C2,0,GDB ChEMBL
37290,CC(=O)[N-]C(C#N)C#CC[NH3+],0,GDB ChEMBL
130440,CNc1cnc2c(c1O)C(O)CCC(O)C2,0,GDB ChEMBL
191394,CCOC1OC2CCCCC1C2,1,GDB ChEMBL
280814,N#Cc1cn(C(N)=O)c(=O)c(N)n1,0,GDB ChEMBL
26839,CC(C)c1cccc(C(C)(C)C=O)c1CO,1,GDB ChEMBL
116087,CCCC1(CC#N)NCC1N(C=O)CC,0,GDB ChEMBL
156075,CC(O)C1CC2CC(N)(C[NH3+])C2C(=O)N1,0,GDB ChEMBL
203238,C[NH2+]C1C(OCC(C)O)C1C(C)[NH3+],0,GDB ChEMBL
81585,CCC(CCCCC(C)C)C1CCC(C)CC1,1,GDB ChEMBL
255102,C#CC1CN(CC)C(=O)CC2CC([NH3+])CC2O1,0,GDB ChEMBL
351381,NC(N)=[NH+]CCNCC(=O)CO,0,GDB ChEMBL
83001,CCC(O)C(OCC(=O)[O-])C(CO)=N[O-],0,GDB ChEMBL
193189,OCCOC1CCCC2[NH2+]CC(C=NO)C21,0,GDB ChEMBL
184910,CCC1([NH3+])CCC(C(=O)[O-])C1C,1,GDB ChEMBL
322909,CC(C[NH+]=C(N)NCC(C)NC(N)=[NH2+])=NO,0,GDB ChEMBL
124327,N#CC1CC1N(CC(N)=O)C(N)=O,1,GDB ChEMBL
304414,N#CC12CNC(CC1O)C(C(=O)[O-])N2,0,GDB ChEMBL
281696,CN1C(=O)NC(COC(N)=O)C1C#N,1,GDB ChEMBL
41659,CCN(C(=O)OC)C(=NC)S(N)(=O)=O,1,GDB ChEMBL
109582,CC1C(C)C12CCC[NH+]2C,0,GDB ChEMBL
163399,O=C([O-])CC1C=CC(O)C1,1,GDB ChEMBL
351331,CCCCCC(C)CN1CC(C)=CC1=[NH2+],0,GDB ChEMBL
318560,CC1CCC[NH2+]C1(CO)CCO,0,GDB ChEMBL
269362,C#CCCC1CC2(O)CC(OC)C[NH+]1C2,0,GDB ChEMBL
318088,CC1C[NH2+]C2CCCC(C2)[NH+]=CNC(C=O)C1,0,GDB ChEMBL
210708,CC(C)OC1C[NH2+]CC1C,0,GDB ChEMBL
66161,CC1CCC2(CCCCCC2)C(C)CC1(C)C,0,GDB ChEMBL
339239,CC(=O)c1onc(N)c1CN(C)S(C)(=O)=O,1,GDB ChEMBL
148859,C#CCC(C)(C)C#Cc1ccc(F)cc1,1,GDB ChEMBL
50057,CC1C(O)C(=O)CN(C)C(C)C1OC(N)=O,0,GDB ChEMBL
315142,CCCC1CCC(C(C)(C)CC)C(C)CC1C,0,GDB ChEMBL
204595,CC1CC(C)C2(CN(CC#N)C2)O1,0,GDB ChEMBL
223563,N#CC1[N-]C(=O)CC2(C[NH3+])NC(=O)NC2C1O,0,GDB ChEMBL
348595,C#CC1CC1C(C)(C)[NH+](C)CC(O)CCO,0,GDB ChEMBL
255526,C#Cc1cc(C)cnc1CCO,1,GDB ChEMBL
115019,COC12C(=O)CNC(C(N)=O)C1C1CCC2O1,0,GDB ChEMBL
6077,C[NH2+]CCn1ccc(CCc2ccsc2)c1C,0,GDB ChEMBL
305255,CCC1NC2C(=O)OC1C(O)C1OC2CC1O,0,GDB ChEMBL
255481,CCCCC1CC2(C(C)C)CCCC2C1(C)C,0,GDB ChEMBL
375888,CC#CCC(C)C1(C)CC(O)CCC1C,0,GDB ChEMBL
165653,C#CC1Cc2cc(C3CC3C)cc(Cl)c2C1,0,GDB ChEMBL
203526,CCC(=O)c1cc(C(=O)[O-])nc(C(C)C#N)n1,0,GDB ChEMBL
218556,CC(C(=O)C#N)N(C)CCO,1,GDB ChEMBL
262269,CCn1c(C)c(C(N)=[NH2+])c2sccc(=[NH2+])c21,0,GDB ChEMBL
267315,CCc1c(C)cc(Br)nc1C,1,GDB ChEMBL
174290,CC(=O)N1C(=O)OC2CC21,1,GDB ChEMBL
120005,CCC1C(C)C(=O)C2OCC=C2CC[NH+]1C,0,GDB ChEMBL
378556,C#CC[NH2+]C1C(CC)C1(C)C(C)C,0,GDB ChEMBL
160014,CCCCC1OCC(CC)C2C(C)C12,0,GDB ChEMBL
335463,CC[NH2+]CC([NH2+]C)C1CCC[NH+](CC)CCC1,0,GDB ChEMBL
44317,CC(=O)NCC12CC(C[NH+]=C1N)C(C(N)=O)C2,0,GDB ChEMBL
159692,NC1=[NH+]C(C(N)CCO)C(CO)C1C(=O)[O-],0,GDB ChEMBL
195446,CCOC12CC([NH3+])CC1(C#N)C2(N)CO,0,GDB ChEMBL
287356,N=c1[nH]c(=O)c(CCC(N)=O)c(Br)s1,1,GDB ChEMBL
3827,CC(=O)N1C=C(CO)C[NH+](C)CC12CC2,0,GDB ChEMBL
122727,CC1OC(=O)NCC23C([NH3+])CC(=O)N2C13,0,GDB ChEMBL
202838,COC1C(O)COCC(C[NH3+])C(C(N)=[NH2+])C1N,0,GDB ChEMBL
70871,CC#CC1C(CC)CC(C)(C)[NH2+]C1C,0,GDB ChEMBL
12809,CC1C(O)C1(C[NH3+])C(COS(N)(=O)=O)C(=O)[O-],0,GDB ChEMBL
104944,CS(=O)(=O)[N-]C1C(=O)C2CC(O)C1(O)C[NH2+]2,0,GDB ChEMBL
41147,C#CC(=O)OC(CC[NH3+])CS(=O)(=O)[O-],1,GDB ChEMBL
122980,CC1CNc2cc(I)ccc2C2OC2C1C,1,GDB ChEMBL
371692,COC1=NC2CC(CO)(CC(O)C2C)N1,0,GDB ChEMBL
378916,CC1(CC=O)[NH2+]C(C(N)=O)C2C(C#N)C21,0,GDB ChEMBL
388395,NC(=O)CCN=C1OCC2OC12CO,0,GDB ChEMBL
238587,CCC(O)C(C)CNC=O,1,GDB ChEMBL
396720,CC(O)CNc1cocc1C[NH3+],0,GDB ChEMBL
53721,CC1C2CC2C(CCO)[NH+]1C,0,GDB ChEMBL
8693,Cc1cc(F)c2c(c1C)C1CCC2C1[NH3+],0,GDB ChEMBL
172772,CC(CC([NH3+])CNC=O)S(=O)(=O)NCC[NH3+],0,GDB ChEMBL
42248,C[NH+](C)C1C2C(=O)CC(C)(C)C21,0,GDB ChEMBL
216558,CCN1CC(C)(C2(C)NC2C(=O)[O-])CC1=O,0,GDB ChEMBL
299741,CC(C1CCOC(OCCC=O)C1)[NH+](C)C,0,GDB ChEMBL
56683,COC(CO)COS(=O)(=O)[N-]C(C)=O,0,GDB ChEMBL
293832,N=C1NCCCNC(=[NH2+])CC(C=O)N1C(N)=O,0,GDB ChEMBL
371689,CCN=c1sc(CCO)cc(NC)c1C(C)=O,0,GDB ChEMBL
81560,CCCC1(CS(N)(=O)=O)C([NH3+])C1(C)O,0,GDB ChEMBL
115775,C[NH2+]CC1=CC2C([NH3+])C2C(C)C(O)C1,0,GDB ChEMBL
304471,CCC(CN)(CC(N)C[NH2+]C)[NH2+]C,0,GDB ChEMBL
190801,O=C([O-])C(=O)C1CN1CCS(=O)(=O)[O-],0,GDB ChEMBL
379866,CCCC(C)C(CC[NH2+]C)C(F)(F)F,0,GDB ChEMBL
140160,CCc1cccc(I)c1C1=CCCC1,1,GDB ChEMBL
147936,C=C1CC2CC1C(CC)C2(C)CC,0,GDB ChEMBL
289220,Cc1nc(F)c2c(n1)CCC2,1,GDB ChEMBL
245832,CC1(C(CCO)(NC(N)=[NH2+])C(N)=O)CO1,0,GDB ChEMBL
235715,C=CC(C)C1C(C[NH3+])C1COCC,0,GDB ChEMBL
12797,COC1(C)Oc2cccc(O)c2NC1=O,0,GDB ChEMBL
208444,CC12OC1(C#N)C1C(=O)NCCC2C1O,0,GDB ChEMBL
73271,COC(C)C1OCC1CCO,0,GDB ChEMBL
262322,NC(=O)C([NH3+])C12CC=CC1C2,0,GDB ChEMBL
354392,C[NH2+]CCC(CCO)Nc1c([O-])coc1CO,0,GDB ChEMBL
246370,C#CCNC(=[NH2+])C1CC(N)C(C#N)N1C(N)=O,0,GDB ChEMBL
341305,COC(C)C(C)C1(O)CC1(C#N)CC[NH3+],0,GDB ChEMBL
109509,[NH3+]C1C2CCCCCC1C2CO,0,GDB ChEMBL
84849,C#CC1=CCC(CCO)CC#CCC1,1,GDB ChEMBL
67858,Cc1cc(C2CC2(C)O)on1,1,GDB ChEMBL
305986,O=C1CC(O)(CNC(=O)Cc2ncco2)C1,1,GDB ChEMBL
209718,C#CCC1C(CCC)CC2CCC1(C)C2,0,GDB ChEMBL
335522,C#CCC(C(=O)[O-])C(CN)[NH2+]C,0,GDB ChEMBL
36155,CC1CCC2(CCCC2)C(CCC(C)(C)C)C1,1,GDB ChEMBL
330740,O=CC(O)CN1CCNCC1=O,1,GDB ChEMBL
37136,CC(C)CC1CCCCc2nc(c(N)s2)CO1,0,GDB ChEMBL
62099,O=Cc1cc2c(C3CC3)n[nH]c2nc1F,1,GDB ChEMBL
96106,CC(C)CCC([NH3+])(C[NH3+])CC(C)(C)OC=O,0,GDB ChEMBL
102113,CCCCCC1(C)CC(OC)C(C)C1O,1,GDB ChEMBL
27823,C#CC1OC2CCC[NH2+]C(C2)C1C,0,GDB ChEMBL
157098,CCC1C(C#N)C1c1cc(C)no1,1,GDB ChEMBL
225030,CCCC1C=CC(C)(CO)C1=O,1,GDB ChEMBL
93782,CC1C(C#N)C2CC(O)C1(C)C(=O)N2,0,GDB ChEMBL
350907,CC1=C(NCCO)C(C)OC1=O,1,GDB ChEMBL
104375,CC1(O)C(C#N)C1(N)C(O)CC[NH3+],0,GDB ChEMBL
214389,C#Cc1c(Br)cc(NC)c(O)c1CC,1,GDB ChEMBL
349619,C#CCC1C=CCCCC(C)C2CC12,0,GDB ChEMBL
46024,CCC1(C)CCC2CCC[NH+]21,0,GDB ChEMBL
184672,NC(=[NH2+])NC(=O)NCC(CCCCO)=NO,0,GDB ChEMBL
282003,CC1NS(=O)(=O)C2COC2CNC(=O)C1O,0,GDB ChEMBL
281663,CCC(=O)c1cc(C)c(I)c(C(=O)N(C)C)n1,1,GDB ChEMBL
186634,Cc1c(Cl)c(CC#N)c2[nH]nnc2c1N(C)C,1,GDB ChEMBL
109710,CC(C[NH3+])NC(=O)CC(=O)NC1CCCC1,1,GDB ChEMBL
165252,C1=CC2C[NH2+]CC[NH+](CC1)C2,0,GDB ChEMBL
133972,NC(=O)C1CC=CCCC(N)=[NH+]1,0,GDB ChEMBL
9868,CC[NH2+]CC(CC(O)C(C)(O)CC#N)=NO,0,GDB ChEMBL
125646,CC1CC2CC1CC2c1ccc(F)cc1,1,GDB ChEMBL
61926,C#CC(C)C(CC)Oc1cc(C)cc(O)c1I,1,GDB ChEMBL
80302,O=C1NCC(O)C(O)C1n1ccnc1,1,GDB ChEMBL
22801,CC1NC(CO)C(=O)C(C)C12CCC2,0,GDB ChEMBL
79490,O=C([O-])C12COC(C1)C(O)C2,0,GDB ChEMBL
291911,[NH3+]C1CNC(=O)C2(O)CS(=O)(=O)NC12,0,GDB ChEMBL
161114,CC12COCC=C(CCCC(=O)C1)C2,0,GDB ChEMBL
214728,CC1CC2CCCC3CC1CC2[NH2+]3,0,GDB ChEMBL
347977,CC1CC[NH+](C2CC(C)C(C#N)C2)CC(C)O1,0,GDB ChEMBL
258253,CN1CC1CCC(=O)CC[NH2+]C(C)(C)C,1,GDB ChEMBL
367629,CCC1(CC2CCC(C)CCO2)CC(C)C1,0,GDB ChEMBL
332684,CS(=O)(=O)[N-]c1c(O)cc(F)nc1O,0,GDB ChEMBL
125598,NC(=[NH2+])C1COc2ncc(O)cc21,0,GDB ChEMBL
244345,CC1CCC2CC([NH3+])C(OC2C)C1C,0,GDB ChEMBL
34255,C1#CC[NH2+]CCOCC1,0,GDB ChEMBL
391283,CC1CC(C#N)C(CO)C1C,1,GDB ChEMBL
18816,CCC(O)CC1=CC2[NH2+]CCC2C1(C)[NH3+],0,GDB ChEMBL
344264,CC12COCC(C1)NC(=O)C1(CC1)N2,0,GDB ChEMBL
47990,CC(C(=O)[O-])S(=O)(=O)[O-],0,GDB ChEMBL
318757,[NH3+]C1C(=O)NC=[NH+]C2CC1C2,0,GDB ChEMBL
206961,C(#CC1CC1)CCC1CCCO1,1,GDB ChEMBL
277768,NC(=O)CCC(C[NH3+])Oc1cn[nH]c(=O)n1,0,GDB ChEMBL
374167,CCOC1OCCC(O)CC1=O,1,GDB ChEMBL
136699,CC[NH2+]C1C(O)C(C(=O)[O-])N2CC12CO,0,GDB ChEMBL
312204,CCC(C)Cc1c(Cl)cc(Cl)c(C)c1Cl,1,GDB ChEMBL
217729,CCC1([NH3+])CC(C[NH2+]C(C)C)CC(C)C1C#N,0,GDB ChEMBL
210190,CN1CC(O)C(N)(CNC(=O)C(=O)[O-])CC1=[NH2+],0,GDB ChEMBL
394228,CC1CCC(C)(C(C)C)C(C)CC1O,0,GDB ChEMBL
119911,CC#CC12CC1Cc1cc(C(C)C)ccc12,1,GDB ChEMBL
333864,CN(C)C1COC(C)(C)C1[NH3+],0,GDB ChEMBL
155110,Cc1ccn(C(=O)N(C)C2CC(C)(O)C2)c1,1,GDB ChEMBL
274838,N#CC12CNCC(OC(=O)C1NCCO)C2N,0,GDB ChEMBL
10959,CCN(C)C(=O)C(=O)C(N)=O,1,GDB ChEMBL
75450,CCC(C)COCCCc1[nH]ccc1C,1,GDB ChEMBL
335491,COC1C(C)C2C3C1N3C(=O)N2C,0,GDB ChEMBL
56678,c1coc(C[NH+]=c2ccc3c([nH]2)CCC3)n1,0,GDB ChEMBL
230705,CCN1C(N)=[NH+]C2CCC(C=O)C(=O)CC21,0,GDB ChEMBL
118128,CCCC1(O)C(=O)NCC1CC,1,GDB ChEMBL
236572,CC1COC(C)C1C1CC[NH2+]1,0,GDB ChEMBL
286145,OCC1(c2cccs2)CCCC1,1,GDB ChEMBL
368398,N#CC(N)(CO)C1NC(=O)C(O)C1N,0,GDB ChEMBL
317594,CC[NH2+]CCCC1([NH2+]C)CC(C)C1,0,GDB ChEMBL
285707,COC1COC2C(C(=O)[O-])C2C1OC,0,GDB ChEMBL
141734,Cc1nocc1CN(C(N)=O)C(C)C#N,1,GDB ChEMBL
274374,C1C[NH+]2CCC3(CO1)OC3C2,0,GDB ChEMBL
324259,CCC(C)C1COC(C)C(CC)(C(F)(F)F)C1,0,GDB ChEMBL
138385,COC1CN(CC([NH3+])CC(=O)[O-])C1,1,GDB ChEMBL
257452,COc1ncc(F)c2ncn(CC(C)C)c12,1,GDB ChEMBL
235916,Cc1nc2c(c(=O)[nH]1)CCN2,1,GDB ChEMBL
281158,CC1C2CC=CCC1[NH+]2CCO,0,GDB ChEMBL
144561,CCOC1CCC(O)CC2(CC#N)CC12,0,GDB ChEMBL
132836,CCCC1CCCC2C1C2(C)NC(C)=O,0,GDB ChEMBL
26936,CC1OC(=O)NC(=N)CC2(CO)C(C#N)C12,0,GDB ChEMBL
147955,CCCCC(C)C1(C)CC1CC(C)(C)C,1,GDB ChEMBL
368471,N#CCC(O)C1CC(C[NH3+])(CO)C2CC[NH2+]C12,0,GDB ChEMBL
294758,CCNC(C#N)(C#N)C(N=C(N)N)C(=O)CC,0,GDB ChEMBL
280871,N=C1NC(C(N)=[NH2+])C2C([NH3+])CC(=O)NCC2O1,0,GDB ChEMBL
392263,CCCOc1nsnc1[O-],0,GDB ChEMBL
265503,Cc1nc(Cl)c2c(n1)CC(O)CCC([NH3+])CC2,0,GDB ChEMBL
37297,C=CC(C)C(C)CC1(C)CC=CC1,1,GDB ChEMBL
45047,C#CC(CC)CC(=O)c1cc(C)c(C)c(F)c1,1,GDB ChEMBL
112448,COCC1(CCO)[NH2+]CC(C[NH3+])C(C)C1CO,0,GDB ChEMBL
388443,COC(=O)CN1CC(COC(N)=[NH2+])[NH+]=C1N,0,GDB ChEMBL
342346,CS(=O)(=O)N1C2CC(O)CC([NH3+])C21C(N)=O,0,GDB ChEMBL
344298,CCC[NH+](CC)C(C)CCC1(C)CC1(C)C,0,GDB ChEMBL
319208,CCCn1cc(C)ccc(C#N)ccc1C#N,0,GDB ChEMBL
113604,NC(=O)NCCOc1cnc(O)nn1,1,GDB ChEMBL
355320,[NH3+]C1C(O)CC2N3C(=O)NCCC123,0,GDB ChEMBL
104416,O=COCC1[NH2+]CCCC1(CO)CO,0,GDB ChEMBL
122951,COCC(N)=[NH+]CCCNC(C=O)CO,0,GDB ChEMBL
387265,[NH3+]CC1C2C(=O)NC(CO)CS(=O)(=O)N12,0,GDB ChEMBL
281669,O=C1OC2CNS(=O)(=O)CC2C1(O)CO,0,GDB ChEMBL
258218,CCC1C(C)CCC2C1C(C#N)N2C(C)=O,0,GDB ChEMBL
120535,C#CC1(C)CN1c1cccc(C)c1Cl,1,GDB ChEMBL
221909,CC1(C)[NH2+]CC2CC1C([NH3+])CCN2,0,GDB ChEMBL
306319,CC1(C)CC2C=CCCC2(O)C1=O,1,GDB ChEMBL
307484,OC1(CC2CC3CCNC3=[NH+]2)CCCCCC1,0,GDB ChEMBL
127742,C#Cc1c(O)cc(CC(C)C)cncsc1C,0,GDB ChEMBL
339122,COC1C2CC(C)NS(=O)(=O)C21,0,GDB ChEMBL
334371,C#CCC(CC)C1(C)CC2CCCCC1C[NH2+]2,0,GDB ChEMBL
196526,CC(=O)OC(C)C1CC(C(N)=[NH2+])C(C)O1,0,GDB ChEMBL
203302,NS(=O)(=O)C1OC(CC[NH3+])C2C(C(=O)[O-])C21,0,GDB ChEMBL
161001,N=C(N)c1nc(N)nc(O)c1S(=O)(=O)[O-],0,GDB ChEMBL
323339,CC(=O)C1(C2CCC2)COC1,1,GDB ChEMBL
212601,CC(CO)[NH+]1CCC(O)C1,1,GDB ChEMBL
230760,NC(=[NH2+])C(CCO)C(=O)C1=NCCO1,0,GDB ChEMBL
2118,C=CCC(OC)C(C)CC#CCC,1,GDB ChEMBL
299978,CCOCC1OCC2C([NH2+]C)C12CC,0,GDB ChEMBL
204660,NC(C[NH3+])C(=O)NCCc1n[nH]c(=O)[nH]1,1,GDB ChEMBL
70295,CC1CC(=CC(=O)CCC(=O)[O-])N1,0,GDB ChEMBL
311330,CCC(C)C(OC)C12CCCC(OC1C)C2[NH3+],0,GDB ChEMBL
39768,COCC(O)C(=O)c1cccs1,1,GDB ChEMBL
229407,C1CCN(C2CC[NH2+]C2)C2C3C[NH2+]C(C1)C32,0,GDB ChEMBL
273790,CCC12COC(C[NH+](C)C)CC1(C)C[NH2+]2,0,GDB ChEMBL
172741,CCCC([NH3+])C1OC1C1C([NH3+])C1CO,0,GDB ChEMBL
22504,CCC1(C[NH+](C)CCO)CN(C)CC1(N)C#N,0,GDB ChEMBL
127217,CC12CC=CC1C(O)C[NH2+]2,0,GDB ChEMBL
197458,C#CC(CC(CC)C(C)([NH3+])C#C)[NH2+]CC,0,GDB ChEMBL
304836,CC(NC=[NH2+])C(O)CCC(=O)NC(=O)CO,0,GDB ChEMBL
167291,CC(C)(O)COCC(CO)CO,1,GDB ChEMBL
20483,C=C(C)C1COC(=O)CN1C(C)C,1,GDB ChEMBL
279074,CC(O)C1C(C(C)C(=O)[O-])CC1[NH+](C)C,0,GDB ChEMBL
204597,CC(C)C12CCC(CO)N1C2,0,GDB ChEMBL
288629,COC(=O)C(N)CCC1C2C[NH2+]CC12,0,GDB ChEMBL
345798,C#CC1CC(O)C2CCC[NH+]1C(C)C2=NO,0,GDB ChEMBL
277139,CCC1(CC)C2C3CCCC3C1C1CCC12,0,GDB ChEMBL
81137,CCCC1(C)C(C)CC2(C)OC(C)C(C)C21,0,GDB ChEMBL
339935,CC1NCC(=N)OC1(C(=O)[O-])C1[NH2+]CCC1O,0,GDB ChEMBL
398963,CCCC(=O)c1cc(C)[nH]n1,1,GDB ChEMBL
172744,CC(=O)N(C)C1CNC1=[NH2+],0,GDB ChEMBL
150110,C=C(C)C=CCCCC1CCCC1,1,GDB ChEMBL
228787,Cc1c(F)c2c(c(F)c1C(C)(C)C)CCC2,1,GDB ChEMBL
386410,Cc1ncc(S(=O)(=O)NC2C3C[NH2+]CC32)nn1,0,GDB ChEMBL
156757,N#CCC12CNCC(=O)C(CCCC[NH2+]1)C2,0,GDB ChEMBL
262559,CC1CCC(CC2CC2[NH+](C)C)C1,0,GDB ChEMBL
305798,NC(=O)C1(CC[NH3+])CC2OC2CN1,0,GDB ChEMBL
105975,C#CCCC(CC)(CC#C)C(C)C(O)C[NH2+]C,0,GDB ChEMBL
195543,NCC1(CN)[NH2+]C2CNC(=O)CC1(O)C2,0,GDB ChEMBL
152056,CCN=C1OCCCNC(=O)C=C1N,0,GDB ChEMBL
348609,CC12NC(=O)N3CCC1([NH3+])C32CO,0,GDB ChEMBL
386203,N#CC1CC(O)C2COCC(=O)OCC1C2[NH3+],0,GDB ChEMBL
116605,NC(=O)n1nnc2c1CCC(=O)NC2,0,GDB ChEMBL
104939,C#CC(C(=C)CC=C)C(C)CCC,0,GDB ChEMBL
44637,CNC(=O)CC1(CCOC)OC=NC1(C)C[NH3+],0,GDB ChEMBL
333099,CCC([NH3+])C(OC)C1(C[NH3+])CO1,0,GDB ChEMBL
312565,CC(O)C1[NH+]=C(N)N(C)C1C=O,0,GDB ChEMBL
119426,COCC1(C)NC2C(NC1=O)C2(C)CO,0,GDB ChEMBL
262268,CC1=CCC(C#N)C1C(C)C[NH3+],0,GDB ChEMBL
251068,Cn1ccc(NC(=O)C(=O)[O-])c1,1,GDB ChEMBL
51881,C=CCC12CC(CCN1C(C)=O)C2,1,GDB ChEMBL
363274,CC1(O)CNC(=O)CNC(=O)OC1(C)C=O,0,GDB ChEMBL
392269,COCC1(C(C)C2CC2)CCCC1,1,GDB ChEMBL
345442,C[NH2+]CC(O)CCC1=C(C)CCC1,0,GDB ChEMBL
115193,COC(N)=[NH+]C(C)CC(=N)NC(=O)C(O)C#N,0,GDB ChEMBL
104692,CC[NH+]1CCC(N2CC2C=O)C1C(O)CO,0,GDB ChEMBL
324005,CCOC1C[NH+]=C(N)C2(CC(O)C[NH+]2C)C1C,0,GDB ChEMBL
380307,C[NH2+]C1C(C)C(C(N)=O)C(N)=[NH+]CC(O)C1O,0,GDB ChEMBL
330101,CC1CC23CNC(=O)C1N2C3C,0,GDB ChEMBL
118422,CCCOc1cc2c(cc1Br)CC(C)(C)CC2,1,GDB ChEMBL
207662,Nc1nccc(C(O)C(O)C(=O)[O-])n1,1,GDB ChEMBL
107793,COC(=O)NC(Cc1nc(N)ns1)C(C)O,0,GDB ChEMBL
95913,CC(=O)NCC1N(C)C1(C)C=O,0,GDB ChEMBL
66732,CCCC(OC)C(C)(C)C1[NH2+]CC1OC,0,GDB ChEMBL
193315,CCCCCC1CC(C)C=C2CC=CC21C,0,GDB ChEMBL
148834,CCC12CCC(C1)C(C)CC1CCC2C(=O)O1,0,GDB ChEMBL
188097,Cc1cc2c(c(C)n1)N(C)CCC2,1,GDB ChEMBL
99639,CCC12CCCCCCC[NH2+]C(CC1)C2(C)C,0,GDB ChEMBL
13138,C#CC1CC2(CCCOC2)C(CC)[NH2+]1,0,GDB ChEMBL
113471,NC1=[NH+]CC(O)C(=O)C1CS(N)(=O)=O,0,GDB ChEMBL
245872,CC#CC1(CCC(N)=O)CN1,0,GDB ChEMBL
8638,C#CCC(C)(CC(C)C)C(F)(F)F,1,GDB ChEMBL
268182,CCn1cc(C)c(S(=O)(=O)[O-])c1CC(=O)[O-],0,GDB ChEMBL
140336,CCNc1c(C)c[nH+]c2[nH]ccc12,0,GDB ChEMBL
377341,C#CCN1C(=O)C2OCCC1C(O)C21CC1,0,GDB ChEMBL
201359,NC(=[NH2+])NC1C(CO)CN2CC12,0,GDB ChEMBL
340442,CC(C)=CC1CC2CC(C1)[NH+](C)C2,0,GDB ChEMBL
389453,CCC(C)([NH3+])C(O)(CCCC#N)COC,0,GDB ChEMBL
380329,CC1C2NC(=O)CC[NH2+]C12,0,GDB ChEMBL
144510,[NH3+]CC12CNC(=O)N1C2C(O)C(=O)[O-],0,GDB ChEMBL
24279,COC1C(O)C1[NH2+]C(C)CCNS(C)(=O)=O,0,GDB ChEMBL
305470,CN1C(=O)CC2[NH2+]C3CCC2C31,0,GDB ChEMBL
210966,O=[N+]([O-])c1cc(CO)nc(O)c1[O-],0,GDB ChEMBL
129801,CC1CC2CC2N1C1=NCC(O)C1,0,GDB ChEMBL
302478,N=C1NC(=[NH2+])CCNC(=O)c2ncsc21,0,GDB ChEMBL
282014,Nc1cc([N+](=O)[O-])cn1CCCO,1,GDB ChEMBL
120018,CC(C(N)=O)N(C=[NH2+])CC(=O)[O-],1,GDB ChEMBL
207386,CCCC1C(C)COC1(C)CCC(F)(F)F,0,GDB ChEMBL
104392,COC1CC2C3CC(C2O)C1[NH2+]3,0,GDB ChEMBL
109588,Cc1cc2c3c(c1C)CC(C)N3C(C)CCC2,1,GDB ChEMBL
269381,CC1=C2C3CC(C3)NC(=O)N2C(C(N)=O)C1,0,GDB ChEMBL
47207,CC(=O)Cc1ccc(Cl)c2ncn(C)c12,1,GDB ChEMBL
13821,CCCC12CC1C(CC)NC(=O)C2OC,0,GDB ChEMBL
227583,CCC(CO)C1OCCOC1=N,1,GDB ChEMBL
252674,CC1CC2CCC1CC2C(C)CC[NH3+],0,GDB ChEMBL
273398,O=C([O-])C1CC(O)C(C2CO2)O1,0,GDB ChEMBL
252525,CCCC1CCC(C(C)[NH3+])(C(F)(F)F)C1(C)C,0,GDB ChEMBL
336061,CC1OCC2CC(CCCO2)C1C(C)(C)C,0,GDB ChEMBL
26842,C#CCC(C1CC1)N1CC(CC)=C(C)C1=O,1,GDB ChEMBL
308729,CCCCC(C)CC1(CC(C)C)CC1C,0,GDB ChEMBL
63140,COc1cc(N)c(C2=[NH+]CCN2)c(CO)n1,0,GDB ChEMBL
112077,CCCC[NH+]1C(C)C1(C)CC,0,GDB ChEMBL
75027,O=Cc1ccc2c(n1)CCCCC2,1,GDB ChEMBL
181120,Cc1cccc2cc(F)n3nncc3c12,1,GDB ChEMBL
54817,CCc1c(OC)c(NC)cn1C(C#N)CN,0,GDB ChEMBL
310123,C#CC(C)C[NH2+]C(C)(C)CCC,0,GDB ChEMBL
109495,CCC=CC1NC(=O)CC1(O)CO,0,GDB ChEMBL
109570,[NH3+]Cc1occc1C1(O)CC1,1,GDB ChEMBL
388423,Cc1cc2c(c(Cl)c1O)N(C)C1CCC=C21,1,GDB ChEMBL
87031,Cc1cc(Br)c2c(c1)C=CCCOC2,1,GDB ChEMBL
317554,CCC(O)C1NC1C(N)=O,1,GDB ChEMBL
288704,O=C1CC2OC2C(C(C(=O)[O-])C(=O)[O-])CN1,0,GDB ChEMBL
396773,CC#CCC1CC[NH2+]1,1,GDB ChEMBL
312848,CC1CC2(C[NH3+])C=CCC(CC2)[NH2+]C1C,0,GDB ChEMBL
375878,CC12CC1C(NC(N)=[NH2+])CS(=O)(=O)N2,0,GDB ChEMBL
111503,C[NH+]=CNCC1(O)CC(C(=O)[O-])CC1C,0,GDB ChEMBL
355015,CC1(CC#N)CCCC2CC21,1,GDB ChEMBL
369339,NC12C[NH+](CCNC1=O)CC2O,0,GDB ChEMBL
338640,NC1=[NH+]CC(C(C[NH3+])CO)N1,0,GDB ChEMBL
196741,COC(C#N)C(=O)[N-]C1CCNC(=O)NC1=O,0,GDB ChEMBL
341149,COC(C[NH3+])C(N)C(=O)NC=O,0,GDB ChEMBL
151110,N=C1NC(=O)C(=O)NC1=NCC([NH3+])CCC[NH3+],0,GDB ChEMBL
104642,CCN1C=NC(C)(C)C1C(=O)NCC#N,1,GDB ChEMBL
247369,CCCC(CC)[NH2+]C(CC)C(C)=O,1,GDB ChEMBL
115972,C=C1CC([NH2+]CC(=O)NC(C)=N)C1,0,GDB ChEMBL
288481,CS(=O)(=O)CC1(O)C2NC(=O)COC21,0,GDB ChEMBL
133350,CC1CCC2(CC2)CC(C)(C)C1,1,GDB ChEMBL
170424,C#CC1c2cc(F)ccc2NC12COCC2C,0,GDB ChEMBL
288517,CC1CCCCCC2CC(C)(CC1)C2,0,GDB ChEMBL
365718,CC(OCCC[NH3+])C1C([NH3+])C1C[NH3+],0,GDB ChEMBL
83088,C[NH2+]C1C=CC(C(C)(C)C(C)C)CC1C,0,GDB ChEMBL
76428,CC12CC(=O)NC1C2OS(N)(=O)=O,0,GDB ChEMBL
289964,C#CCCC(C)CC(OC)c1cn(C)cc1N,1,GDB ChEMBL
45735,COC(=O)NC(C=O)C1CC(C)(C)C1O,0,GDB ChEMBL
389456,CN1C2CC(CO)C1CC2[NH3+],0,GDB ChEMBL
339043,C#CC[NH2+]C(C)(C)c1cccc(Br)c1,0,GDB ChEMBL
189787,CCCCC1CCC(C)[NH2+]1,0,GDB ChEMBL
344360,CCC1(C)CC=C(C)C1C1CCCCC1,0,GDB ChEMBL
173747,COC1C([NH3+])C2COCC1(CO)NC2=O,0,GDB ChEMBL
338153,C[NH2+]CC(O)C(=N)NC(=O)OC,0,GDB ChEMBL
34407,C[NH2+]CC(C)C1(C)CC1C(F)(F)F,0,GDB ChEMBL
339061,CCC[NH+]=C(N)N1CC(CC)C1,0,GDB ChEMBL
28165,CC1C[NH+]2CCC3C=CC[NH2+]C1C32,0,GDB ChEMBL
323952,CCc1ccc([N+](=O)[O-])c2c([O-])noc12,0,GDB ChEMBL
386550,CCCC[NH2+]CC1(N)C(C)C([NH3+])CC1C(C)C,0,GDB ChEMBL
143782,CCCC1CC2CC=CCC=C1C2,0,GDB ChEMBL
109487,Cc1snc(NCC(N)=O)c1OC1CC1,1,GDB ChEMBL
275545,[NH3+]CCC1C[NH2+]CC[NH2+]CC2C(=O)NCCC12,0,GDB ChEMBL
119651,CCCCC(C)C1[NH2+]CC2CC=CC21,0,GDB ChEMBL
203532,O=CC1CC2OCC(NC3C(O)C23)C(=O)N1,0,GDB ChEMBL
24031,NC1(C(=O)[O-])CC2CC3CC1[NH+]2C3,0,GDB ChEMBL
34384,CCC1C2CN3c4ccccc4CC3(C)C12,0,GDB ChEMBL
115591,CNc1cc(C(C=O)CC(N)=O)cc(I)c1N,0,GDB ChEMBL
266482,CC1(CCC(N)=[NH2+])C=CC(=O)OC1,0,GDB ChEMBL
267392,CC(=O)c1c(C)c(O)c(N)n1C(CO)C(=O)[O-],0,GDB ChEMBL
382518,C#CC1C[NH+](C)CC=C1C(C)C,0,GDB ChEMBL
304053,CCC1CC2CCC1C(C)(C)CC([NH2+]C)C2,0,GDB ChEMBL
278889,CCC1CC=C(C)C(CC)C1(C)CC,0,GDB ChEMBL
19412,CCC1C(C)CCC1CC(C)C1(C)CCCC1,0,GDB ChEMBL
350691,[NH3+]C1C(CCO)C(CO)C1C(=O)[O-],0,GDB ChEMBL
234932,CC(NC(Cc1nn[n-]n1)=NCC[NH3+])C(N)=O,0,GDB ChEMBL
235704,C#CCCC#Cc1c(C)cccc1I,1,GDB ChEMBL
271090,COC(=O)C(=N)NCCNC(CC[NH3+])C(N)=O,0,GDB ChEMBL
305127,CCCCC(CC1C=CC(C)CC1)C1CC1,1,GDB ChEMBL
251060,C[NH2+]C(C(C)C[NH3+])C(C)NC=O,0,GDB ChEMBL
227962,CC1=CC2OC2C1c1cc(Br)ccc1C,0,GDB ChEMBL
26066,COC(C)(C)C(CO)CO,1,GDB ChEMBL
303869,COCC(=O)NC(C=O)C(C)(O)CC=NO,0,GDB ChEMBL
76742,CC[NH2+]C1C=C(C2CCC2)CC1,0,GDB ChEMBL
114352,CC1CC(C(=O)[O-])CC2(COC2C)C1O,0,GDB ChEMBL
347975,C#CCCC(C)(C)C(C)c1cccc(C#C)c1,0,GDB ChEMBL
334414,CC1CC(=O)C=CC23CC[NH2+]CC2C13,0,GDB ChEMBL
188523,O=CC(CC1CCC[NH2+]1)=N[O-],0,GDB ChEMBL
23995,CCCC1CC(CC)(CC)C(C)(C)[NH2+]C1C,0,GDB ChEMBL
111926,CC1C(O)CC2COC1C2(C)C,0,GDB ChEMBL
330951,CCC(CC1CC2CC(C)CC21C)OC,0,GDB ChEMBL
44684,CCOC(CCOCC=NO)C(CO)[NH2+]C,0,GDB ChEMBL
132690,CC#CC(C)(C)C(CCC)C1CC1,1,GDB ChEMBL
354125,CCc1c(O)cc(C)c2c(F)cc(F)c(F)c12,0,GDB ChEMBL
239156,CC1CC2C=CC[NH2+]C3CCN(C3=O)C1C2,0,GDB ChEMBL
33521,CC(C)CC1C2C[NH+](C2)C12CCCC2,0,GDB ChEMBL
41340,CC1[NH2+]CC2C(O)C23C1CCC[NH+]3C,0,GDB ChEMBL
217111,COC(C)c1c(C)n[nH]c1C,1,GDB ChEMBL
206949,CCC1CC1C(=O)NCC#N,1,GDB ChEMBL
141856,CC(c1nccs1)C([NH3+])C#CCOCC[NH3+],0,GDB ChEMBL
140115,CC#CCCCC1(CC)CCCC(O)C1,1,GDB ChEMBL
100696,CCC1C(=O)NC(C)C12CC([NH3+])C2C[NH3+],0,GDB ChEMBL
119388,CC(O)(C#N)CC(O)C([NH3+])CO,0,GDB ChEMBL
2393,Nc1c(CCO)nc(F)c(C2CC2)c1F,1,GDB ChEMBL
179454,O=CC1=CC(C(F)(F)F)NCCC1,1,GDB ChEMBL
16050,CS(=O)(=O)CC1CC2(C(=O)[O-])OC2C1O,0,GDB ChEMBL
369291,N#Cc1cnn2c1ncc1cc(O)ncc12,0,GDB ChEMBL
221347,CC1NC(=[NH2+])C2CCCCOC2CCCC1=O,0,GDB ChEMBL
334674,C=CCC1(C(CCC)C[NH2+]C)CC1,0,GDB ChEMBL
163843,COC12CC(CCO)C[NH2+]C1CC2[NH3+],0,GDB ChEMBL
259655,CC1CCC(O)C2=CC(CCC1CO)[NH2+]C2,0,GDB ChEMBL
76514,CCC1C(C2(O)CCC(C)CC2)CCC1(C)C,0,GDB ChEMBL
39965,CNc1ccc2c(c1)C13CC1CC=CC3C2,0,GDB ChEMBL
324004,C[NH2+]C(C)C(C)CC(C)(C)C,1,GDB ChEMBL
395173,CC(=O)C1=CC(=O)NC1=NC1CN(C)C1,0,GDB ChEMBL
181010,CNc1ccc2c(c1C#N)OCC2,1,GDB ChEMBL
70344,CC1(C)[NH2+]CCC1C(CCC[NH3+])C(N)=[NH2+],0,GDB ChEMBL
10597,COC(=O)C(C)C[NH+]=C(C)N,0,GDB ChEMBL
34988,CCCN=C1OC(=O)CC2CC1([NH3+])CO2,0,GDB ChEMBL
365680,C[NH2+]C(CCOC)C1(C(C)C)COC1C#N,0,GDB ChEMBL
177256,CCCC1C2C(C)CCC(C)(C)C1CC2C,0,GDB ChEMBL
210760,C#CCC1OC2CC(=O)NCC2(OC)CC1O,0,GDB ChEMBL
22511,C#CCCC(CC)C(C)C(C)[NH3+],0,GDB ChEMBL
333639,C[NH2+]C(C)C1(C[NH3+])CC(O)C1,0,GDB ChEMBL
94894,C[NH2+]CC1CCC1(CO)NC(C)=O,0,GDB ChEMBL
301537,C#CC(Cc1cccc(F)c1F)OC(=O)CC,1,GDB ChEMBL
271359,CC1NS(=O)(=O)C(N)C(C[NH3+])CN(C)C1=O,0,GDB ChEMBL
48724,N#CC1CNC2CC1OC2C[NH3+],0,GDB ChEMBL
350704,CC1CC=CC1[NH2+]CC=O,0,GDB ChEMBL
118731,CCC1CC(CO)=CC1[NH3+],0,GDB ChEMBL
318543,CC1([NH3+])C2CC(NCC(=O)NC(=O)O2)C1CO,0,GDB ChEMBL
76379,CS(=O)(=O)[N-]C(C#N)(CN)C(O)CO,0,GDB ChEMBL
50109,CC#Cc1[nH]c(C)c(CCC)c1CC,1,GDB ChEMBL
135829,NC(=[NH2+])CC(=O)N1CC(O)C([NH+]=C(N)CO)C1,0,GDB ChEMBL
130374,CC1CCC(C(C)[NH2+]Cc2cncs2)CC1,0,GDB ChEMBL
43550,NC(=NCC=O)OCCO,1,GDB ChEMBL
290533,CN(Cc1nc[nH]n1)C(=O)C(O)CO,1,GDB ChEMBL
288665,CC(C)c1cc(NCCCO)c[nH]1,1,GDB ChEMBL
308183,C#CC(C(C)CC)C(CC)CCC(C)CCC,0,GDB ChEMBL
280434,C=C1CC(C)C(C#CCCCC)C1,1,GDB ChEMBL
12736,CC(C)CC(C(N)=[NH2+])C(C)C,0,GDB ChEMBL
101514,C#CC(N)(C#N)C(C[NH3+])C(C)n1ccc(N)n1,0,GDB ChEMBL
338637,[NH3+]CC(C(=O)[O-])[NH+]1CCCC1,0,GDB ChEMBL
35673,Cc1c(N)cccncoc1C#N,0,GDB ChEMBL
99795,COC1(C)C(=O)C2[NH2+]CC1C2O,0,GDB ChEMBL
296603,C[NH2+]C(C(=O)[O-])C1COC(=N)N1,0,GDB ChEMBL
259115,[NH3+]C1C(O)C(=O)OC(CO)C1O,0,GDB ChEMBL
179306,CC(C)(O)CNC=[NH+]CCCC1CCNC1=O,0,GDB ChEMBL
163359,C#Cc1cc(C#N)c(Cl)c(C)c1C#N,1,GDB ChEMBL
25200,CC(C)(C)Cc1sc(CNC=O)cc1C#N,1,GDB ChEMBL
221103,C[NH2+]CCC(C)C(=O)Oc1cnsc1N,1,GDB ChEMBL
286828,CCC1(O)C=CCCCCCC=C1,1,GDB ChEMBL
29712,CCNC(=O)C12CC(O)C1O2,0,GDB ChEMBL
252044,CC1=NC(CC[NH3+])CO1,1,GDB ChEMBL
358092,C[NH2+]C1(C)COC(CC(N)=O)CNC1C(N)=O,0,GDB ChEMBL
353274,N#CCC1COC(CO)CCC(=O)O1,1,GDB ChEMBL
310166,CC1(C)[NH2+]CCC(CNC=O)C1C([NH3+])CO,0,GDB ChEMBL
240011,CCC1C2CCC(CC2O)C1C(C)(C)C,0,GDB ChEMBL
40231,CC1CCCC(C2C[NH2+]C2)CC1,0,GDB ChEMBL
54117,CCC1C[NH2+]CC1N1CC([NH3+])C1=O,0,GDB ChEMBL
5855,NC1=NCC(O)(C[NH3+])COC(=O)N1CC(=O)[O-],0,GDB ChEMBL
177842,C#CC(=O)CC1Cc2ccccc2CC(C)C1,1,GDB ChEMBL
248609,CCCC1(N(C)C(N)=O)COC2CC1C2,0,GDB ChEMBL
368533,[NH3+]C1CC(O)C(C2COC2)(C2CCC[NH2+]2)C1,0,GDB ChEMBL
372510,CCc1ccc(Br)c2cccn12,1,GDB ChEMBL
334392,N#CC1=CC(c2ccc(Cl)cc2)C2CC12,1,GDB ChEMBL
142517,CC(O)C([NH3+])C1COC(=O)NC(=O)CN1C,0,GDB ChEMBL
292977,Cc1cccc(C2C[NH2+]C2)c1Cl,0,GDB ChEMBL
134736,CC1C[NH2+]C(C)C2OC1CC2O,0,GDB ChEMBL
208314,CCC1C[NH+]2CC1C2,0,GDB ChEMBL
61993,CCCCCC(C)(C#N)C1CC1,1,GDB ChEMBL
258340,Nc1cc(I)c(I)cc1CCO,1,GDB ChEMBL
102130,CN1CC(=O)C=C(CC2CC(O)C2)C1,0,GDB ChEMBL
191713,[NH3+]C1C2NC(=O)CCC12C(=O)[O-],0,GDB ChEMBL
208256,CC1([NH3+])CCC1C(N)=O,1,GDB ChEMBL
247537,CCC12CCCC1CC1CCC2CC1,0,GDB ChEMBL
45932,Oc1c(F)cc(F)c2c1CC1CC21,1,GDB ChEMBL
339999,CCCCC1=CCC(O)C(CC)C1O,1,GDB ChEMBL
333924,N#CC(O)C(=O)[N-]CCOc1cncnc1F,0,GDB ChEMBL
333079,CC(C)(C)CC1Cc2c(I)cccc2C1[NH3+],0,GDB ChEMBL
298062,O=CC1[NH+]=CNC1CC(=O)[O-],0,GDB ChEMBL
156540,CCCC1C2C=CC1[NH+]1CC(C)COC2C1,0,GDB ChEMBL
47536,CC[NH+]1CC(O)CN2C(C)C1C2C,0,GDB ChEMBL
284723,C=C1CCC(=C)C1C(C)=CCCC,1,GDB ChEMBL
243954,CCC1[NH+]2C(C)CC1(C)C=CC2COC,0,GDB ChEMBL
324294,C#CCC(C(=O)NCC(C)C)C(C#C)=NO,0,GDB ChEMBL
170417,CCOC1(C[NH3+])C[NH2+]CCC1C,0,GDB ChEMBL
112374,CN1CC(C#N)C(CC2C[NH2+]2)NC1=O,0,GDB ChEMBL
198686,Nc1cncc2occc2cncn1,0,GDB ChEMBL
299738,CC(C)C1CCC2CC1(C[NH+](C)C)CC2(C)C,0,GDB ChEMBL
292337,C#CC#CC(C[NH2+]C)(CC(=O)[O-])C(C)O,0,GDB ChEMBL
3030,CC(O)C(CO)C1CC([NH3+])C1(N)C(N)=O,0,GDB ChEMBL
247610,CC1CCC(C)(C)C=CC2CC(C[NH2+]2)O1,0,GDB ChEMBL
17543,C#CC1=CCC(CCC)CCC12CC2,1,GDB ChEMBL
223506,CCc1ccc(Cl)cc1CC(C)C,1,GDB ChEMBL
302616,CC1CC2OCCC1C2CO,0,GDB ChEMBL
156126,CC(C#N)OC(C)CC([NH2+]CC=O)C(C)CO,0,GDB ChEMBL
6830,CC(C)C(=O)C1OC1(C)C1CC[NH2+]1,0,GDB ChEMBL
196533,CC1=Cc2cccnc2CC(C)CC1,1,GDB ChEMBL
323934,CC[NH+](C)C1CC2(C(C)C[NH3+])COCC1CN2,0,GDB ChEMBL
323967,COCCCC(C)(C)S(=O)(=O)CCCO,1,GDB ChEMBL
99830,CCCN1C(=O)OCC(=O)Cn2nc(C)cc21,1,GDB ChEMBL
155095,CC[NH+]1CC2C3CC2C1CC(=O)N3,0,GDB ChEMBL
204576,CC1(C)CCN2CC1C(=O)C2(C#N)C#N,0,GDB ChEMBL
163400,CCC1C(=O)OC2C([NH3+])C1(CC)C2CO,0,GDB ChEMBL
338989,COCC(C)(C(=O)[O-])C1CC(C)N=COC1=O,0,GDB ChEMBL
107801,CC[NH+]1CC2C(C)C1C1C(CC(C)C)[NH2+]CC21,0,GDB ChEMBL
249613,COC1CC(CC(=O)[O-])C(C(C)O)O1,0,GDB ChEMBL
303906,CC(=O)C(C1CC1)N(C)C=O,1,GDB ChEMBL
62564,Cc1c(O)cc(C=O)c2c1C(C)(C)[NH+]=C(N)N2,0,GDB ChEMBL
234965,CCC(C)C1(C)CCC2CCC1C2,0,GDB ChEMBL
107799,CC1=CC(=O)OCCOC1,1,GDB ChEMBL
358544,C#CCCC(=C)C(C)(CC)C(C)C,1,GDB ChEMBL
179430,C#Cc1ccc(CCC=O)cc1F,1,GDB ChEMBL
205909,CCc1cc(C2C([NH3+])C=CC2C[NH2+]C)on1,0,GDB ChEMBL
305126,O=C([O-])C(CO)N1CC(O)C1,0,GDB ChEMBL
177221,CN=C1OC(=O)NC1C([NH3+])C(=O)[O-],0,GDB ChEMBL
267333,[NH3+]C1COC(CCO)C(NC=O)C1,0,GDB ChEMBL
67845,CCC1CC(O)C2CC(C)C=C12,0,GDB ChEMBL
45672,CCC1(C)CC([NH3+])CCC(C)C12CCCC2O,0,GDB ChEMBL
368486,COC(=O)CNC1C=C(C)C(=O)C1=O,1,GDB ChEMBL
34750,C[NH2+]C1C(O)C2C3CCOC1C32,0,GDB ChEMBL
355821,CC12NC(=O)C([NH+]=C1N)C2(C)C(O)C(=O)[O-],0,GDB ChEMBL
99793,N=CN(C=[NH2+])CCOCC[NH3+],0,GDB ChEMBL
203576,C[NH+]1CCC(C)([NH3+])C(O)C1,0,GDB ChEMBL
33874,O=S1(=O)CC(O)C2[NH2+]CC1C2C(O)CCO,0,GDB ChEMBL
350715,CN(CCO)C(=O)C12CC(CO1)C(=O)O2,1,GDB ChEMBL
160975,CC(O)COCC1CC1C(=O)[O-],0,GDB ChEMBL
136519,CC1CC2CCC2CCc2c(Cl)cccc21,0,GDB ChEMBL
289448,CC([NH3+])C#CCC(C)OCC(=O)[O-],0,GDB ChEMBL
342582,N#CC1(CC[NH3+])OC(=O)CN(C(N)=[NH2+])CC1N,0,GDB ChEMBL
121941,COC1CC[NH+]2C3CC=C(C)CCC(C1)C32,0,GDB ChEMBL
128306,Cn1nnc(CNCCO)n1,1,GDB ChEMBL
203272,CCCC1(O)C[NH+]2CCC(=O)CC2C1C,0,GDB ChEMBL
358539,COC1C2CCCC(C)(C)C(C)(C2)C1C(C)C,0,GDB ChEMBL
361643,CC1CNS(=O)(=O)C2C([NH3+])C2(C)C1O,0,GDB ChEMBL
77525,C#CC(CO)C1(CC)CCCOC(CC)C1=O,0,GDB ChEMBL
33119,C#CC(C)CC(CCC)COC,1,GDB ChEMBL
122885,C[NH2+]CCOCCOC1CC1CO,0,GDB ChEMBL
190071,C[NH2+]CCC1C(C)C1C=O,0,GDB ChEMBL
236633,CC#CC1CC[NH2+]C(CC)CC1C,0,GDB ChEMBL
332694,CCC[NH2+]CC1CC2(C)CCC[NH2+]CC1C2,0,GDB ChEMBL
284741,N#CC1(CN)N=C(C[NH2+]CC(=O)[O-])NC1=O,0,GDB ChEMBL
3834,CC1(C2CC(O)C([NH3+])CC[NH2+]2)CO1,0,GDB ChEMBL
354010,C=CCOC1CC2CCC1CC[NH2+]2,0,GDB ChEMBL
276056,CCC(C)CC1=CCC(CC([NH3+])CC)C1,0,GDB ChEMBL
147529,CC1OC(=O)CN2CC(O)COCC12C,1,GDB ChEMBL
156485,CC1([NH3+])CC1(N)CN(CCO)S(C)(=O)=O,0,GDB ChEMBL
127932,CCOC1(C)CC2CCC(O)(C1=O)C(C)C2O,0,GDB ChEMBL
100708,Cc1cc(F)c(C(C)(C)C)c2c(C)cccc12,1,GDB ChEMBL
9881,CC(C[NH3+])CC1CCOC1,0,GDB ChEMBL
50283,C[NH2+]CC(=O)C(=O)[N-]C(C#N)C(=O)CO,0,GDB ChEMBL
379167,CC[NH2+]C1C(O)C(C)(C(N)=O)C1C(N)C#N,0,GDB ChEMBL
277922,CC(OC=O)c1nccc(Br)c1C#N,1,GDB ChEMBL
147896,C#CCCC1CC(C)C(CC(C)C)C(CC)C1,0,GDB ChEMBL
240794,CC(O)C1C(=O)C(CO)OC1S(N)(=O)=O,0,GDB ChEMBL
377004,COC(=O)C(O)CNC(=[NH2+])C1CN1,0,GDB ChEMBL
225832,CC1[NH2+]C(C(N)CNS(C)(=O)=O)C1O,0,GDB ChEMBL
9929,[NH3+]C1C2CNS(=O)(=O)C(C(=O)[O-])C(O)CC12,0,GDB ChEMBL
350001,C#CCn1ccc(CCC=O)c1,1,GDB ChEMBL
325264,C1#CC2COC(C=CCCC1)C2,0,GDB ChEMBL
28994,CCC1C(=O)OC2C(=O)N(C)CC1C2(N)C#N,0,GDB ChEMBL
255987,CC(=O)N1CC2=CCCC(C)(C)C2C1C,0,GDB ChEMBL
184278,CC(=O)N1CC(=O)C(O)C1=O,1,GDB ChEMBL
71285,COC1CC(O)C(=O)OC1C,1,GDB ChEMBL
285706,Nc1cc(C2=NCCO2)n(CC[NH3+])c1,0,GDB ChEMBL
235177,COCC1(C)CC(=O)OC2CN1CC2=NO,1,GDB ChEMBL
135418,CC[NH2+]C12CCOC(CC1CC)C2O,0,GDB ChEMBL
250598,COC(C[N-]C(=O)C#N)C1OC1C(C)C,0,GDB ChEMBL
140750,O=CC1CN2C(C(=O)[O-])C2C(O)C[NH2+]1,0,GDB ChEMBL
203180,Nc1nc(CO)c2ncncc2n1,1,GDB ChEMBL
148893,CC1[NH2+]CC=C1NC(=O)CO,0,GDB ChEMBL
19655,C#Cc1nc(C)c(O)c(NC(=[NH2+])NC)n1,0,GDB ChEMBL
111598,CCCCC12CCC(O)C1N2,0,GDB ChEMBL
95535,CC(C)(O)C1([NH3+])CC([NH2+]CC(=O)[O-])C2CC21,0,GDB ChEMBL
29015,CCC(CC(C)C)C1=CCCC1C(C)C,0,GDB ChEMBL
246997,Cc1cc[nH+]c2c1C1CCC1CN2C,0,GDB ChEMBL
118456,CC1C2CCC1C(C)(C[NH3+])C2,0,GDB ChEMBL
305183,CC(C)[NH+]1CC=CC(O)C2(CCO2)C1,0,GDB ChEMBL
304598,CCOC1C2C3C(=O)C4C1C4C32,0,GDB ChEMBL
344318,NC1=[NH+]CC2(O)CC1(OCCC(=O)[O-])C2,0,GDB ChEMBL
70951,COCCN1CC(C[NH3+])c2[nH]c(=O)cnc21,0,GDB ChEMBL
331163,CCN(CC1(N)C(O)C(N)C1[NH2+]C)S(C)(=O)=O,0,GDB ChEMBL
177202,[NH3+]CC1CN2C(=O)NCC12,0,GDB ChEMBL
220166,COC1CN=CN(C(C)=N)C1=O,1,GDB ChEMBL
133134,CCOCC1(CCC(C)O)CC(C)CC1O,0,GDB ChEMBL
99595,CC(C(N)=O)C(C[NH3+])Cc1cc([O-])co1,0,GDB ChEMBL
124511,CCC1C(=O)NCC2(C#N)N1C2(C)C=NO,0,GDB ChEMBL
133363,CC(O)(CO)C(CC#N)CC(=O)C1CN1,0,GDB ChEMBL
66645,CC(C)COC1C=CC(N)=[NH+]CCC1,0,GDB ChEMBL
388464,CC(c1cc([NH+]=C(N)N)nc(N)n1)C1CO1,0,GDB ChEMBL
4936,CC(C)(CCO)[NH2+]C1COCC([NH3+])C1,0,GDB ChEMBL
229406,COC1C(O)CC23NC(C)C(O)C12COC3=O,0,GDB ChEMBL
331528,CC[NH2+]C1C2CCC(OC(N)=O)COC1C2,0,GDB ChEMBL
223510,C#CC1CCCC(C)(CCC)C1[NH+](C)C(C)C,0,GDB ChEMBL
345419,CCOCC(=O)OC(COC)CC1C[NH+]=CN1,0,GDB ChEMBL
379873,CC1(C)C(CCO)=CC=CC[NH2+]C1CC#N,0,GDB ChEMBL
257513,C1CC2C3CCC2(C1)OCC[NH2+]3,0,GDB ChEMBL
127773,CNC1C([NH+]=C(N)N)C1(C#N)CC[NH3+],0,GDB ChEMBL
112519,[NH3+]C1(CC(CO)C(=O)[O-])CC=CC1,0,GDB ChEMBL
40300,CCC(CCO)CCc1cc(C)c2n1CCC2,0,GDB ChEMBL
319135,CC(C)C(C)C([NH3+])C1CC1,0,GDB ChEMBL
245507,CC1C2CC[NH2+]CC(C2)C1C,0,GDB ChEMBL
181611,C#CC1(O)C=CC(C[NH2+]C)C1,0,GDB ChEMBL
392541,CCC1(O)C2C(CO)C1(C(=O)[O-])NS2(=O)=O,0,GDB ChEMBL
258237,CC(O)C(O)c1cnc(N)s1,1,GDB ChEMBL
182493,CC1CC[NH2+]C(CN)C(C)O1,0,GDB ChEMBL
331467,C=C(CCCC)C1=CN(C)C(=O)C1,1,GDB ChEMBL
337800,CC1([NH3+])CC(=O)N(CCCO)CCCCC1O,0,GDB ChEMBL
173140,CC(C)(C)Cc1c(OCC[NH3+])ccnc1Cl,0,GDB ChEMBL
135382,CC(C)c1cc(NCC(=O)[O-])c(Br)c(CO)n1,1,GDB ChEMBL
338399,N#CCC12CNC(=[NH2+])C1C(=O)OC2,0,GDB ChEMBL
288617,CNc1c(C=O)ccc2c1CC(C)C2,1,GDB ChEMBL
174944,C#CCC1CC2CCC(C[NH2+]1)CC(C)C2CC,0,GDB ChEMBL
81128,N=CN1C(=O)NC(=O)CCN=C1N,0,GDB ChEMBL
386438,C[NH2+]C1CCOCC2OC2CC1,0,GDB ChEMBL
284771,C=C(CC)CC(CO)CC(F)(F)F,0,GDB ChEMBL
231125,C#CC(CC(=O)CC)c1cc(C)c(F)c(C)c1,0,GDB ChEMBL
328841,CC12CCC(C3CCC31)C2C(=O)[O-],0,GDB ChEMBL
147575,CN1CC2(C)CC2NC1=[NH2+],0,GDB ChEMBL
337434,C#CCC(C[NH3+])CC1[NH2+]C1(C)CCC,0,GDB ChEMBL
318524,CC(=[NH2+])NCC(CCO)CC([NH3+])C(=O)[O-],0,GDB ChEMBL
244621,C#Cc1c(C)cc(F)cc1CCC#CC,1,GDB ChEMBL
109597,CS(=O)(=O)N1CCNCC1,1,GDB ChEMBL
286866,COC(CCO)(CCC(C)[NH3+])C(C)(C)C,0,GDB ChEMBL
234910,C[NH2+]CC1CC(C)(C)C2C3CC(CCC[NH2+]3)C12,0,GDB ChEMBL
82176,CC(=O)N(C)C1C[NH2+]C1C(C)O,0,GDB ChEMBL
276054,COC1CC(O)CNC1=O,1,GDB ChEMBL
190411,Cc1cccc(CCN2CCCC(O)C2)c1I,1,GDB ChEMBL
76452,CCCC[NH2+]C1C(C)CC2C1N2C,0,GDB ChEMBL
352835,CC1C2CC[NH+]1CCNC2=O,0,GDB ChEMBL
352163,CCCCn1c(Br)c([O-])c2n[nH]cc2c1=O,0,GDB ChEMBL
216188,C[NH+](C)CCNc1ncsc1N,0,GDB ChEMBL
374026,CCCCC(C)(C)[NH2+]C1(C)CC2CC(=O)C1C2,0,GDB ChEMBL
297038,Cc1csc(CO)ncc(O)cc(C#N)c1=N,0,GDB ChEMBL
115981,NC1=[NH+]C(CCC(=O)[O-])CC(=[NH2+])N1,0,GDB ChEMBL
277066,C#CC1CC(N)C1(CO)[NH2+]CC,0,GDB ChEMBL
41158,[NH3+]CCNS(=O)(=O)C1C2CCOC(=O)C1N2,0,GDB ChEMBL
203105,CCNC1C[NH+]2CC(C2)C(CO)C1=O,0,GDB ChEMBL
70073,Cc1cccc(F)c1C1CC2C=CC1C2,1,GDB ChEMBL
281656,C[NH+]=C(N)Cc1c(C)nc(N)nc1N,0,GDB ChEMBL
362362,OC1C2CCCCC1C1OCCC21,0,GDB ChEMBL
147847,CC1C=CC2=CCCCCC(C2)C1,0,GDB ChEMBL
389059,COC1CC(C#N)N(C)C1,1,GDB ChEMBL
126633,Cc1ccnc2c1C(=O)NCC2,1,GDB ChEMBL
208447,CC(O)C(C[NH3+])N1CC1C([NH3+])CO,0,GDB ChEMBL
67823,NC(=O)C12CNC(=O)CNCC1(N)COC2=O,0,GDB ChEMBL
303893,Cc1cc(C(N)=[NH2+])c([O-])c(C)c1Cl,1,GDB ChEMBL
37295,O=C1CNCCOC2C(O)C2C(=O)N1,0,GDB ChEMBL
13145,C#CC1COCc2cc(C)cc(F)c21,0,GDB ChEMBL
347852,CCC1(CC(N)=O)CN2CC[NH+](CC2)C1,0,GDB ChEMBL
2350,CCCC(C=O)(CC)OC1CC(C)CCC1C,1,GDB ChEMBL
143202,COCC1(C2C[NH+]=CN2)CC1,0,GDB ChEMBL
35001,NC1C2=CNCC(O)COC1OC2=O,0,GDB ChEMBL
356810,C[NH+](C)CCCC1OCC1[NH3+],0,GDB ChEMBL
100993,C1=CC2(CC[NH2+]C1)COC2,0,GDB ChEMBL
383289,CCC1C=CCCCCC(=O)C1C(F)(F)F,1,GDB ChEMBL
41095,CCC1[NH2+]Cc2ncsc2CC1C,0,GDB ChEMBL
350271,CC(C)C(O)C(C)C1CCCC(C)C1C,1,GDB ChEMBL
38620,CC1C2CC(CCCC3CC3)CC1O2,1,GDB ChEMBL
182135,C=CCc1c(Cl)cc(CO)nc1Cl,1,GDB ChEMBL
127869,CC(C)Nc1nc2c([O-])cc(F)c(C=O)c2o1,0,GDB ChEMBL
75051,CN1CC2OC(=O)C(N)C1C([NH3+])C2O,0,GDB ChEMBL
29906,COC1C2C(O)CN(C(N)=[NH2+])C1CC2C(N)=[NH2+],0,GDB ChEMBL
85873,O=C1C(O)C(CO)OC2CC3CC[NH+](C3)C12,0,GDB ChEMBL
203446,[NH3+]C1CC2OCC23CNC1C(=O)N3,0,GDB ChEMBL
31335,O=[N+]([O-])c1cnc(O)c(O)c1,1,GDB ChEMBL
221151,CNC(=[NH2+])NC(=[NH2+])N(C)CC(C)OC(C)C[NH3+],0,GDB ChEMBL
168396,COC1CC2CC[NH2+]C1C(C)[NH+]1CCCC21,0,GDB ChEMBL
318552,CC1CC2C(C)C(C=CCO1)CC2(C)C,0,GDB ChEMBL
387234,C[NH2+]C(C(C)O)C(C)C1OC1CC#N,0,GDB ChEMBL
379726,CC([NH3+])C(O)CNCC(C[NH3+])Nc1ncns1,0,GDB ChEMBL
271844,Cc1cc(C)c(CC2CC3CC3C2)c(Br)c1,1,GDB ChEMBL
184656,CC(NCC[NH3+])C(O)C(O)C(N)(CO)C(N)=O,0,GDB ChEMBL
118408,CC1NC=C(C(=O)[O-])C1OS(N)(=O)=O,0,GDB ChEMBL
42232,CN(C)C(C(N)=[NH2+])C([CH-]C=O)C(F)(F)F,0,GDB ChEMBL
286896,CC(C)CC1(C)CC(C(C)(C)C)CC1C(C)C,0,GDB ChEMBL
346506,CC1CCCC#CC(CO)C2OC12,0,GDB ChEMBL
317348,CC(=O)COC(N)=NC1CCOC1,1,GDB ChEMBL
197494,CC12CC(=O)C3(CO1)CC(O)C2C3,0,GDB ChEMBL
337395,C=CC(C[NH3+])C(O)C[NH2+]CCOC,0,GDB ChEMBL
264949,COC(=O)NC(=O)C[NH2+]C(C)C(C)COC=N,1,GDB ChEMBL
126582,C#CCCN1CC2[NH2+]CCCCC2(CCC)C1,0,GDB ChEMBL
144495,Nc1nc2ccnc(N)c2nc1C[NH3+],0,GDB ChEMBL
122866,C[NH2+]C1C(OC)CC(C[NH3+])NS(=O)(=O)C1C,0,GDB ChEMBL
303373,CCC1OCC(C(=O)[O-])C12CCCC2,0,GDB ChEMBL
76786,CNC(C#N)(C(=N)N)C(N)=O,1,GDB ChEMBL
192618,CC1OC2CC2C(O)C[NH+](C)CC1N,0,GDB ChEMBL
79291,CCc1ccncnc(C)ccc(OC)c1=[NH2+],0,GDB ChEMBL
80476,Cc1cccc2c1CC1(C[NH2+]C3CC31C)O2,0,GDB ChEMBL
286336,CC1CNC(=O)C(CCN2CC2)C=CCO1,0,GDB ChEMBL
203479,C[NH2+]CC(=O)CN1CC1C(=O)[O-],0,GDB ChEMBL
207923,CC1OC2OC(=O)N3C1C23CC(=O)[O-],0,GDB ChEMBL
286291,CN(C)C(=O)OCc1n[nH]c(O)c1N,1,GDB ChEMBL
35665,C[NH2+]CC(CO)C1C[NH+](C)C1,0,GDB ChEMBL
277671,CC(C(N)=O)(C(N)=O)N1CC1,1,GDB ChEMBL
31315,CC[NH+]1CC2CC=CC=CC1CC2,0,GDB ChEMBL
236530,Cc1cc(CCC#N)sc1Nc1cnn(C)c1,1,GDB ChEMBL
292526,C[NH2+]CC1C(C)[NH+]2CC1C(C)(O)C1CCCC12,0,GDB ChEMBL
101059,N#CCN1CC2CC1C(O)CO2,1,GDB ChEMBL
1097,CCCC([NH2+]C1CC1)C1(C)CC1,0,GDB ChEMBL
13853,COc1ccc2c(n1)OCC1OCC=C1C2,0,GDB ChEMBL
274179,[NH3+]CCOCc1nc(NC2CC2)cs1,0,GDB ChEMBL
5878,CCC1CCC#CCCC(C)C1C,0,GDB ChEMBL
332721,C[NH2+]CC(C)C1CC(CC#CC(C)(C)O)C1,0,GDB ChEMBL
246426,CC1(C#N)CC(O)C2N(C(N)=O)CC21O,0,GDB ChEMBL
216587,CCCOC(=O)C(C[NH+]=CNC)=N[O-],0,GDB ChEMBL
70079,CCC(C)(CCN1CCC1C=O)OC,1,GDB ChEMBL
211138,CCC1(OC)C(C)CCC1CC(CO)C(C)C,0,GDB ChEMBL
211107,CC(=O)NC(N)=NCc1cnsc1N,0,GDB ChEMBL
127885,[NH3+]CCCC#Cc1cnc(O)nc1O,0,GDB ChEMBL
339068,COCc1ncnc(OC)n1,1,GDB ChEMBL
4796,CC1C2CC3OC(=O)C(O)(C2)C31,0,GDB ChEMBL
334745,CC1(NC(N)=O)COC1C[NH3+],0,GDB ChEMBL
203842,CC1(C)CC(C#N)CCC=CC=C1C=O,0,GDB ChEMBL
7387,NC(=[NH2+])N1CC2NC(=O)C(NC(N)=O)C21,0,GDB ChEMBL
274347,CS(=O)(=O)NC(=N)OC1C=CC(O)C1,1,GDB ChEMBL
107694,C[NH+]1CCCCCCCCC1,0,GDB ChEMBL
119273,C[NH2+]CC1(C#N)C=CC(C)C(O)CC1C,0,GDB ChEMBL
119380,CCCC(O)C1C2CCCCOC1C1CC12,0,GDB ChEMBL
51396,CC1=CCC2CC2Cc2ccc(cc2C)C1,1,GDB ChEMBL
119819,CCC([NH2+]C)C(=O)C1OC1C,0,GDB ChEMBL
190125,CC1=CC(C)C(C)CC2C=CCCCC2C1,0,GDB ChEMBL
332353,COCC1C2C[NH2+]C1C2(O)C(N)=O,0,GDB ChEMBL
190500,CC(C)[NH+]1CC2CC1CC2(C)C,0,GDB ChEMBL
288900,COC(=O)[N-]C(=O)c1[n-]nnc1[N+](=O)[O-],0,GDB ChEMBL
382480,C#CC1(c2cccc(F)c2)CC1C,1,GDB ChEMBL
284684,C[NH2+]CCNCCC1CS(=O)(=O)NC(=N)O1,0,GDB ChEMBL
171867,CCOC(NC)=[NH+]CCC(=O)[O-],1,GDB ChEMBL
256173,C[NH2+]C1(CO)C2CC(CCC2OC)C1(C)C,0,GDB ChEMBL
284382,CCNC1=[NH+]CC=CC=C1CCCC(C)C,0,GDB ChEMBL
208237,CC(O)(C(N)=O)C1CS(=O)(=O)N2CC12,0,GDB ChEMBL
318149,CCCC=CCC1C=CC2(CC2)C1,1,GDB ChEMBL
242984,C[NH+]1CCC2C(=O)C3OC3C(O)C21,0,GDB ChEMBL
284277,C[NH2+]CC1CC2(O)CC3C(C2)C13,0,GDB ChEMBL
277999,CCOC(C)C#CC(CNC=O)OC,1,GDB ChEMBL
387241,CCN1CC2(CC=C(C)C23CC3)C(C)C1=O,0,GDB ChEMBL
223250,N#CC1C2C(C(N)=O)C(O)C(C(=O)[O-])N12,0,GDB ChEMBL
97141,C[NH+]1C2CC(CCOCC3CC1C3)C2,0,GDB ChEMBL
155048,CC1(C#N)CC(=O)NC=NCC(O)C1,0,GDB ChEMBL
228829,CC1CC2(O)CCCC2C1C[NH3+],0,GDB ChEMBL
304030,CC[NH2+]C(Cc1ccccc1)C1(C)CCC1,0,GDB ChEMBL
362338,CCNC(=O)c1cn[n-]c1C(N)=[NH2+],0,GDB ChEMBL
159735,N#CC1COCCCC(CS(N)(=O)=O)N1,0,GDB ChEMBL
67571,C#Cc1oc(CC(C)(C)CCC(C)C)cc1C,1,GDB ChEMBL
354336,CC(C)C(CC=O)C1CCc2ccc(N)cc21,0,GDB ChEMBL
370376,C=CC1CCCCCC(C)C1CC,0,GDB ChEMBL
119262,O=C1NCC2CC(O)C(CS2(=O)=O)N1,0,GDB ChEMBL
140122,CC(=[NH2+])NCCC[NH2+]CC(C=O)C=O,0,GDB ChEMBL
51054,C#CC1(OCC)C2CC(O)C(C)CC21C,0,GDB ChEMBL
146071,C[NH2+]CC(C(N)=[NH2+])C(C)C,0,GDB ChEMBL
6513,CC(CC(=N)Oc1ncc(F)c(N)n1)C(=O)[O-],0,GDB ChEMBL
63086,CC(=O)C(C)CC(=[NH2+])N1CCC1,0,GDB ChEMBL
375152,CC1CCCC2(C1)CC1C(C)[NH+](C)CC12,0,GDB ChEMBL
226210,C=CCC1(C)CC=C(C#N)C(=O)N1,1,GDB ChEMBL
394879,C[NH2+]CC1OCC2(C(N)=O)COC(C(C)[NH3+])C12,0,GDB ChEMBL
234514,CCC(C)(O)C(CC=O)C(C)OC,1,GDB ChEMBL
112388,CC[NH2+]CC1CC2(C[NH3+])CC2(C)CC1O,0,GDB ChEMBL
225361,CC[NH+](C)CC(C)(CC(C)C)Oc1ccsc1,0,GDB ChEMBL
238148,CCC1C(OC)C1(C)C(F)(F)F,0,GDB ChEMBL
238137,CNC(=O)NCC1(C)CC1,1,GDB ChEMBL
263533,CCC1C(C(N)=O)N1CC=CC[NH3+],0,GDB ChEMBL
64285,Cc1cc(F)c2c(c1)C(C)C1CC21,1,GDB ChEMBL
253625,CCCc1nccc(CO)c1N,1,GDB ChEMBL
393558,CC1CC2C(CCO)C2C1C#N,1,GDB ChEMBL
361158,[NH3+]C(CCO)CC(O)(CO)CCO,0,GDB ChEMBL
333643,COC1(C#N)C2OC(=O)C1(N)CNC2CO,0,GDB ChEMBL
279953,CC([NH3+])C(O)C([NH3+])CCOS(N)(=O)=O,0,GDB ChEMBL
279956,C#CCC(C)C(C[NH2+]C)CC1CCCC1(C)O,0,GDB ChEMBL
169357,CC1=CC2C(CCC1)CC1CCC[NH+]12,0,GDB ChEMBL
345389,N#CCCC1(C(=O)[O-])C(O)CC(O)C1[NH3+],0,GDB ChEMBL
330504,CC12CCCCOC(CC1=O)C(C)(C(=O)[O-])C2,0,GDB ChEMBL
203814,COCC1CC([NH+]2CCC2)C1,1,GDB ChEMBL
115730,COC1C(O)C2NCCC1C2(C)[NH3+],0,GDB ChEMBL
80320,CC1CCC2C[NH2+]C(CC[NH3+])C12,0,GDB ChEMBL
41644,C#CCc1cc2cc(Cl)cc(CC[NH3+])c2s1,0,GDB ChEMBL
64348,CC(O)c1c(N)cnc(CC(O)CCO)c1F,0,GDB ChEMBL
195567,CNC(=O)CC1CCN2CC12,0,GDB ChEMBL
33115,CC1CNS(=O)(=O)C(C(C)[NH3+])C(=O)O1,1,GDB ChEMBL
328890,C1CCC(C2C3CC4(CC4)C[NH2+]C32)C1,0,GDB ChEMBL
308250,NC(=O)C1C2CC(O)C1N2C(N)=O,0,GDB ChEMBL
35292,CC(C)CCCC1[NH+](C)CCCC1(C)C,0,GDB ChEMBL
97766,CC(C)CC1(C)C2C=CCC[NH+](C)C21,0,GDB ChEMBL
61983,CCC1C2(C)CC(C(C)C[NH2+]2)C12CC2,0,GDB ChEMBL
310171,CCC[NH+](CCC)C(CN)CC1CO1,0,GDB ChEMBL
338352,O=C1CCS(=O)(=O)NCCN1,1,GDB ChEMBL
101517,CC=CCC(C)C(CC)C(C)(C)C,1,GDB ChEMBL
140095,CC(=[NH2+])N1CC2C(NC=O)C(=O)NC2C1C,0,GDB ChEMBL
338919,CC1(CC2CNC(=O)C2)NC(=O)C2([NH3+])CC12,0,GDB ChEMBL
79561,C#CCCc1ccc(Cl)c(C)c1C(C)[NH+](C)C,0,GDB ChEMBL
119868,CCCC1c2c(cc(C)c(C)c2F)C2CC21,0,GDB ChEMBL
106618,CC1CC2CC(O)C3OCC1C23,0,GDB ChEMBL
152494,CC1C(CC[NH3+])CC=CC1C(O)C1CC[NH2+]1,0,GDB ChEMBL
251019,NC(=O)CCC1CNC(=O)O1,1,GDB ChEMBL
274947,C#CCC(CC)C(C)C(CC)CC,1,GDB ChEMBL
65597,CC(O)C1CCC(=NO)CS(=O)(=O)N1C,0,GDB ChEMBL
192543,O=C1NCC2C3[NH2+]CC(O)C2OC13,0,GDB ChEMBL
44129,COC12CC1CC1(C)CC(C)C[NH+](C)C12,0,GDB ChEMBL
249856,CCC1(CC(C)=O)C2CCC1COC2,0,GDB ChEMBL
263201,C#CC[NH2+]CCC(C)C=O,0,GDB ChEMBL
284896,CCC(C)C1(C)CC2CCCC(C)C2C1,0,GDB ChEMBL
64119,C[NH2+]CC1(N)COC(=O)COC(=O)NCC1O,0,GDB ChEMBL
297018,CC1C(C(C)(C)C)C1(C)c1ccccc1,1,GDB ChEMBL
207686,CC1=CC2C(C)C(C(C)(C)C)CC(C)[NH+]2C1,0,GDB ChEMBL
321830,C#CC(=O)N1CCC(=C(C)C)C1=O,1,GDB ChEMBL
227324,CC1OC2CC3CCC(C[NH2+]3)C2C1(C)C,0,GDB ChEMBL
354788,CCC1CC(C)C(C(C)n2cccc2)CC1[NH3+],0,GDB ChEMBL
263818,C#CC1C(=NO)CC1CCNC(=O)N(C)C,0,GDB ChEMBL
101915,NC(=[NH2+])C(C=O)NC(=O)NC(=O)CO,0,GDB ChEMBL
362197,COC1C(C)C(C(C)=O)C(=O)CC(CO)C1O,0,GDB ChEMBL
190786,CC(CC(=O)C1CC1)CC1(C)COC1,0,GDB ChEMBL
122985,CNC1=[NH+]C(C(N)=O)C(O)C1,0,GDB ChEMBL
238584,Nc1c(F)ccnc1C1CC2CC(C[NH3+])N1C2,0,GDB ChEMBL
214722,C[NH2+]C1CC1C(C(C)CCO)C1CC1,0,GDB ChEMBL
337979,CC1=CC2(C(=O)[O-])CC(=NO)CCN2C1=O,0,GDB ChEMBL
169049,C[NH2+]C1C(O)CC(OC)(C(C)C#N)C1N(C)C,0,GDB ChEMBL
216560,CCc1cc(C)c(C=O)c(Br)c1C1CCC1,1,GDB ChEMBL
369330,CC1(C(=O)[O-])C(O)C[NH2+]CCOC2=NC1CN2,0,GDB ChEMBL
44569,CC1CC1C[NH2+]CC(O)Cc1[nH]ccc1O,0,GDB ChEMBL
6484,C#CC#CCC(C)CNC(C)=O,1,GDB ChEMBL
61688,N=COc1ncc(CO)cc1C(N)=O,1,GDB ChEMBL
77312,CC1C2OC(=O)CC([NH3+])CCN1C2=O,1,GDB ChEMBL
322858,C#CC(=O)C(COC1CC1)NC,1,GDB ChEMBL
203220,NS(=O)(=O)C(OC1CC([NH3+])C1)C(O)C(=O)[O-],0,GDB ChEMBL
181383,CCOC(C)C1C(C(C)C)CC1C(C)O,0,GDB ChEMBL
29426,N=C1NC(CO)(C(N)=[NH2+])C(=O)N1CCO,0,GDB ChEMBL
305533,CC1(C)CC2CCCC1C2[NH3+],0,GDB ChEMBL
391321,CNc1cc(NC(C)C[NH3+])on1,0,GDB ChEMBL
256127,N#Cc1nn(CC(=O)[O-])c2ccsc12,1,GDB ChEMBL
91155,COCC1(O)C(O)C1NC(N)=O,0,GDB ChEMBL
208263,CC#CCCCCC(=O)OCC,1,GDB ChEMBL
296042,C[NH2+]C(C=O)C1CCC2CC[NH+](C2)C(C)(C)C1,0,GDB ChEMBL
151732,CC(=O)OCC(C#N)NCS(N)(=O)=O,1,GDB ChEMBL
190503,C=CC1CC(CCC)C2C(C[NH3+])C12,0,GDB ChEMBL
249554,COC1C2NC(C(=O)NC2=O)C([NH3+])C1O,0,GDB ChEMBL
68450,O=C([O-])CC[NH2+]Cc1c(O)ncn2nncc12,0,GDB ChEMBL
275677,CCCCC(C)(C)OC1(C)COCOC1,1,GDB ChEMBL
115993,N#CC1(O)C(CO)NC2CNC(=O)C1NC2=O,0,GDB ChEMBL
296986,CC12C=CCC(NC(N)=O)C1C(CO)[NH2+]C2,0,GDB ChEMBL
73838,O=C1[N-]S(=O)(=O)c2cncnc2O1,0,GDB ChEMBL
195550,CC1=CCC2(c3ccc(F)cn3)CC12,0,GDB ChEMBL
228376,COCC1C(O)C12C[NH+](C)CCC(C)(O)C2,0,GDB ChEMBL
307504,N#CC1C2CCC1(c1c(Cl)cccc1Cl)CC2,1,GDB ChEMBL
29501,NC(=O)N1CC(C(=O)[O-])C2C([NH3+])C21,0,GDB ChEMBL
325759,CC1=CC(C)CC2CCC(C)[NH2+]CC2(C)C1,0,GDB ChEMBL
349654,COC1CNC(=O)N2CC3OC3C12,0,GDB ChEMBL
214017,O=CC1(CC2CC2)COC1,1,GDB ChEMBL
314097,CC(C)(C)[NH+]1CCCC(C2CCNC2C#N)C1,0,GDB ChEMBL
376657,Cc1cc2c3c4c(ccc3c1)CC(C)CC4N2,0,GDB ChEMBL
77057,CCOCC1=CCCC2OC1C(CC)C2[NH3+],0,GDB ChEMBL
87664,C[NH+]=C1NC(C#N)C(N)C2C(C#N)CCN12,0,GDB ChEMBL
77756,CC1CC[NH+](C)CC2C3C=CCC1C32,0,GDB ChEMBL
191293,C#CCC(C)C1C2C3CC3C1[NH+]1CCCC21,0,GDB ChEMBL
287007,Cc1c2c(F)cc(O)c(C(=O)[O-])c2c(O)n1C,0,GDB ChEMBL
70328,[NH2+]=C1CC([NH3+])C2CNC(=O)C(N1)C1CC2CO1,0,GDB ChEMBL
276324,[NH3+]CC1C2CCC1(O)C(=O)O2,1,GDB ChEMBL
377279,CCOCC1CC1(C)C[NH3+],0,GDB ChEMBL
119889,C[NH2+]C1CCC2CC(C#N)=CC(C)C21,0,GDB ChEMBL
24056,CC1C2C([NH3+])C2C(C(=O)[O-])N1S(C)(=O)=O,0,GDB ChEMBL
259092,C[NH2+]CCOCC1NC1(C)C,1,GDB ChEMBL
73316,C=CC[NH2+]C1CC=CCN(C=O)C1,0,GDB ChEMBL
109713,N#CC1NCC(=N)OC1CCO,0,GDB ChEMBL
193793,CCS(=O)(=O)C1CCNC1=O,1,GDB ChEMBL
337102,CC1OC(C(O)CO)CC1CO,1,GDB ChEMBL
119780,CCn1cc[nH]c(=O)c(N)nc(C)c1O,0,GDB ChEMBL
305235,CCCC1(CO)CNC(=NCC)C1=O,0,GDB ChEMBL
187250,NC(=[NH2+])CC(O)COS(N)(=O)=O,0,GDB ChEMBL
389474,CCC1([NH3+])C(=O)NCC(C)C2OCC21,0,GDB ChEMBL
37614,Cc1cc(C(=O)[O-])c2nn[nH]c2c1,0,GDB ChEMBL
383956,CC1(C[NH3+])NC(=O)C=C1NCCCC[NH3+],0,GDB ChEMBL
26814,C#CC([NH2+]C(C)(C)C)c1cc(=O)c(=O)o[cH-]1,0,GDB ChEMBL
349934,C#CCCC(C)(CO)[NH2+]CC1CCC(C)(C)O1,0,GDB ChEMBL
9779,N#Cc1scc(-n2cncn2)c1OCCO,1,GDB ChEMBL
9970,C=CC1CC=Cc2ccc(Cl)cc21,1,GDB ChEMBL
207297,CC1OC(C(O)C(=O)[O-])OC1C[NH3+],0,GDB ChEMBL
330525,NC1=NC2COC(CNC1=O)C2,0,GDB ChEMBL
151694,CC(CCCCO)C(=O)CCNC=O,1,GDB ChEMBL
35683,COc1ncc(CO)nc1CC#CC1CC1,0,GDB ChEMBL
124897,CCC1CC(C)CCC2CC(C1)CC2[NH3+],0,GDB ChEMBL
79355,C[NH2+]CCS(=O)(=O)NCC(N)C[NH3+],0,GDB ChEMBL
162475,C#CC(C1C2CC1C(O)C2C)N(C)CC#N,0,GDB ChEMBL
81040,CCC(CCS(N)(=O)=O)OC=O,1,GDB ChEMBL
190255,CC1CC([NH3+])C2C(=N)OCC[NH2+]C12,0,GDB ChEMBL
332452,C#CCCC(C(C)OC(C)=O)C1([NH3+])CC1,0,GDB ChEMBL
8741,CCC(O)C1C2C1C1(C)CC[NH+]2CC1,0,GDB ChEMBL
59620,CCC12COC(C(C)C1)C2O,0,GDB ChEMBL
98537,CC1CCCCCCc2csc(c2)C(C)C[NH2+]1,0,GDB ChEMBL
115053,CCOc1c(N(C)CC)cc2c(Cl)cccn12,0,GDB ChEMBL
207380,Cc1nc(C#N)sc1COCC(C)(C)C,1,GDB ChEMBL
377821,CCCCOCC1(CC)CC1C(C)C,1,GDB ChEMBL
209721,CC1C2CC(C[NH+](C)C2CO)C1(C)[NH3+],0,GDB ChEMBL
103897,CCC([NH3+])C1OC(=O)NC1S(N)(=O)=O,0,GDB ChEMBL
274003,CC(=CCCC(C)(C)C)C1CCO1,1,GDB ChEMBL
26065,CNC(=O)NC1C2C(O)CC1(O)C2C(N)=[NH2+],0,GDB ChEMBL
31780,CC#CC(CO)C(N)C[NH3+],0,GDB ChEMBL
34455,CCC1[NH2+]CCC(C)(C)CN(C)C(=O)C1C[NH3+],0,GDB ChEMBL
255554,CC1CC2(NC(N)=[NH2+])C[NH2+]C(CC(=O)O1)C2,0,GDB ChEMBL
33862,CC1([NH3+])CNCC(O)C(=O)[N-]S(=O)(=O)C1,0,GDB ChEMBL
44547,NC(=O)N1CC(=NO)CC2CC2NC1=O,0,GDB ChEMBL
61515,CNC(=O)C(O)C(O)C1CCC(=[NH2+])N1,0,GDB ChEMBL
101508,CC(C)C(C)CCN1CCCC1=[NH2+],0,GDB ChEMBL
292185,CC(C)CC1CC2CCC[NH+]21,0,GDB ChEMBL
29699,CC1CC1C1Cc2ncc(Cl)cc2CO1,1,GDB ChEMBL
76050,CCCCC(C)CC1C=CC=CC=C1,1,GDB ChEMBL
142940,O=C(CCO)CC(=O)N1CC2OC2C1,1,GDB ChEMBL
66639,CCC(CC)C1CCCCCC(C(C)C)CC1,1,GDB ChEMBL
249412,CCC1(C(C#N)OC(N)=O)OCCC(C)C1C,0,GDB ChEMBL
39946,CCc1cc(C)c2c(c(NC)nn2CC)c1Br,1,GDB ChEMBL
28384,CCCc1c(N)[nH+]c(C)n1CC1CN1,0,GDB ChEMBL
181131,CC(O)C(=O)NC(=N)CC[NH3+],0,GDB ChEMBL
32034,N#CC(CC1(CCCO)CC1)C1CCCC1,1,GDB ChEMBL
320794,C#CC(CCC(=O)C(C)[NH2+]C)S(C)(=O)=O,0,GDB ChEMBL
330774,CCCC1(C)C[NH2+]C(C)C2CCCCC1C2C,0,GDB ChEMBL
81404,CC(C)CC(C)CC(C)Cc1ccccc1Cl,1,GDB ChEMBL
355331,[NH3+]CC(O)C1NC(C(=O)[O-])C2(CO)CC12[NH3+],0,GDB ChEMBL
48110,CC1(C#N)C(O)C1(C(=O)[O-])C1CC[NH2+]1,0,GDB ChEMBL
121718,CNC(=[NH+]CCO)C(N)CC(=O)[O-],0,GDB ChEMBL
367792,NC(CCC[NH2+]CCO)S(N)(=O)=O,0,GDB ChEMBL
169404,CCOCC(C)[NH+](C)C1CC1,1,GDB ChEMBL
375169,NS(=O)(=O)CC([NH3+])C12NC(=O)CC1C2O,0,GDB ChEMBL
241109,CNc1cc(S(N)(=O)=O)c2nc(O)nn2c1,1,GDB ChEMBL
184932,CC(C)(C#N)C(C[NH3+])c1cnc(N)cc1O,0,GDB ChEMBL
325884,CCC([NH3+])CN1CC(OC2CCC2)C1,1,GDB ChEMBL
398939,Cc1nc(CO)ccc1NCCC(C)CC[NH3+],1,GDB ChEMBL
338827,C[NH2+]CC1C2CC(O)C(OS(N)(=O)=O)C12,0,GDB ChEMBL
180037,CCC(C)C1CCCC=C1COC,0,GDB ChEMBL
251017,NC(=O)C1[NH2+]CC2(O)C1C([NH3+])C2(N)C(=O)[O-],0,GDB ChEMBL
353263,CCOCC1CNC(=O)CCNC(C)(C)C1[NH3+],0,GDB ChEMBL
210749,CCC(=O)CC(=[NH+]C(C)(C)C)N1CCC1,0,GDB ChEMBL
112884,C#CC1C(OC)CC(C)(CC)C1C,1,GDB ChEMBL
166414,CC(C)(O)CN(CCNC=[NH2+])S(C)(=O)=O,0,GDB ChEMBL
103407,[NH3+]C(C(=O)[O-])C(CO)OC(=O)CO,1,GDB ChEMBL
99851,CCC12C=CC[NH+]1CCOC(C)C2,0,GDB ChEMBL
126829,CS(=O)(=O)NC1C2CC1(CO)NC(=[NH2+])O2,0,GDB ChEMBL
306403,CCOC1C2OC(=O)C1(CC)C2C,0,GDB ChEMBL
249532,CNC(=O)CC(C#N)(C#N)OC(C)C(=O)[O-],0,GDB ChEMBL
284800,O=C1NCC2CCC2C(O)C(CO)O1,0,GDB ChEMBL
313327,CC1C2C([NH3+])C2OC(=O)N1C,0,GDB ChEMBL
281017,C#CCC(C)(NC(N)=O)C(=O)[O-],0,GDB ChEMBL
267380,Cc1c(N)c(C=O)c(Cl)c2c1C1CN2C1,1,GDB ChEMBL
89651,C[NH+](C)C1(C)CC(O)CC(O)C1,0,GDB ChEMBL
257963,CC1CC([NH3+])COC(C)C(C)OCCO1,0,GDB ChEMBL
214444,CC1C(C)C2CC1C1CC[NH+](C)C2C1,0,GDB ChEMBL
81745,Nc1cc(N)c2c[nH+]c(CO)cc2c1,0,GDB ChEMBL
26000,N#CCCNCCC1CCC[NH2+]1,1,GDB ChEMBL
276284,C#CCCCC(CCC=C)C(C)C,1,GDB ChEMBL
121510,COC(C(O)COC(C)=O)C1(N)CC1C#N,0,GDB ChEMBL
227255,CCC1CCC=CC1CC(C)C1CC1,1,GDB ChEMBL
81009,C#CCC1CC(C)C(C2CCCC2)C1CC,0,GDB ChEMBL
336647,CCOC(C)C1C(C)[NH2+]C1C,0,GDB ChEMBL
79566,CCCC1=CC(C(C)(C)C)C2(CC2)C1CO,0,GDB ChEMBL
200585,COC1(C)CCC(O)C(O)CC1=O,0,GDB ChEMBL
180793,C#CC1(CCCC)C(C)C1[NH2+]C,0,GDB ChEMBL
80307,C#CCNC1=NCCOC(C)(C(N)=O)C1OC,0,GDB ChEMBL
95599,CC1COS(=O)(=O)N2C=CNC(=O)C12,0,GDB ChEMBL
64353,CCc1c(C(C)CC)ccc(C(C)(C)C)c1Cl,1,GDB ChEMBL
354966,NC(=[NH+]CC1COCC1=O)OCCO,0,GDB ChEMBL
346848,CC([NH3+])C[NH2+]CC1C2CC(C)CC1C(C)(C)C2,0,GDB ChEMBL
304365,O=C1CCC(=NO)C(O)CN1,1,GDB ChEMBL
242620,CNC(=O)N1C(C[NH3+])C2NC2C1CO,0,GDB ChEMBL
307873,COCC1(C)CC([NH3+])C1(C)OCCO,0,GDB ChEMBL
294250,CCCCCC(C)C1=CC2CC1(CC)C2,0,GDB ChEMBL
39978,Cc1ccc2scc3c2c1C(C)CC3CC[NH3+],0,GDB ChEMBL
185323,C#CC1CCCCCC(CC(C)CCC)CC1,0,GDB ChEMBL
147864,C[NH+](C)CCC#CC(O)CC([NH3+])CN,0,GDB ChEMBL
172341,[NH3+]CC(CO)Nc1ccc(NC=O)nc1CO,0,GDB ChEMBL
227270,CC[NH+]1CCNC(C[NH3+])C2CC1CN(C)C2=O,0,GDB ChEMBL
285731,C[NH2+]C(C)C1(CC[NH3+])CC2CCC(C)(O)C1C2,0,GDB ChEMBL
48755,CNC(=O)C1(C(C)C)OCC(C[NH3+])N(C)C1=O,0,GDB ChEMBL
89130,CCC(CC)CC1(C)C(C)CCCCC1(C)C,0,GDB ChEMBL
204171,CCCC1CCC(C)c2c(F)cc(C#N)cc21,1,GDB ChEMBL
378894,N=C(NC(N)=O)OC(C[NH3+])C(O)CO,0,GDB ChEMBL
354160,N=C1Nc2n[nH]cc2CCC2(CCCCC2)O1,0,GDB ChEMBL
204357,Cc1cc(CC(C)[NH3+])sc1C[NH3+],0,GDB ChEMBL
111601,CC(=O)C([NH+]=CN)C(O)CC(=O)OCC(N)=O,0,GDB ChEMBL
286277,CCC(CC(C)C)OCCCCCC(C)C,1,GDB ChEMBL
328961,CCCC1(C)CC(C#N)CC1CCC(C)CC,0,GDB ChEMBL
76441,CCCC(=O)N1CC(=O)CC1=N,1,GDB ChEMBL
258280,Cc1c(NCC(C)O)cn2c1NC1CC1C2,0,GDB ChEMBL
46030,CC(CO)OC(=N)CC(F)(F)F,1,GDB ChEMBL
127770,CC[NH+](C)C(C)C([NH3+])C1CC2OC2(C)C1,0,GDB ChEMBL
323971,CC1=CCC(C2(O)CC2)CC1,1,GDB ChEMBL
51392,CC([NH3+])C1CC2(CO)NC(=[NH2+])CC2NC1=O,0,GDB ChEMBL
153259,[NH3+]CCC1CC#CCC(=O)OCC1,0,GDB ChEMBL
40407,[NH2+]=c1nc(CC(O)C[NH3+])cc[nH]1,0,GDB ChEMBL
37625,CN1CC(C#N)(C2NC(=O)C[N-]C2=O)C1,0,GDB ChEMBL
312894,CC1C[NH+](C)CC2(CCC2)CCC1(C)C,0,GDB ChEMBL
357641,[NH3+]C1C(=O)NCC2N=C(NC=O)OC2CC1O,0,GDB ChEMBL
277936,CCC1CC2C(C3CO3)C=CCC2[NH+]1CC,0,GDB ChEMBL
362972,CC1OC(C[NH3+])C2[NH2+]CC=CCC12,0,GDB ChEMBL
129382,CCNC(=O)C(N)C(O)C1([NH3+])CC1(O)C[NH3+],0,GDB ChEMBL
130402,O=CC1CCOCC2CCCN=C2NC(=O)N1,1,GDB ChEMBL
271546,CCCCC1(O)C(=O)C=CC1(C)C,1,GDB ChEMBL
43977,CC#CC(O)(CNC(N)=[NH2+])C1CN1,0,GDB ChEMBL
277561,C[NH2+]CCN(C=O)C1C(=O)C(=O)CC1(C)C,0,GDB ChEMBL
381437,COCC1Cc2onc(C#N)c2N(C)C(=O)O1,0,GDB ChEMBL
335511,C#CCC(CCC)c1nc(O)c(OC)cc1N,0,GDB ChEMBL
386226,C#CC1C2C=C(C)C(OCCCC)C12,0,GDB ChEMBL
53016,CC1C2[NH2+]C(C=O)CC12CO,0,GDB ChEMBL
353279,CC(C(N)=O)C1OCC[NH+]=C(N)O1,0,GDB ChEMBL
188092,COC(C)(C)C1(C)[NH2+]C2CN(CCO)CC21,0,GDB ChEMBL
104971,COC(=O)CCCC(C(N)=O)C1(O)CC1C,0,GDB ChEMBL
60658,COC1C(=O)C2C=CC1(C#N)C(C)C2,0,GDB ChEMBL
88155,NC(=O)NCC1=CNC(=O)C1,0,GDB ChEMBL
254849,Cc1ccn2c(C(O)C[NH3+])c(N)c(O)c2c1Cl,0,GDB ChEMBL
189811,COC1(C2CC2)C(CO)[NH2+]C1CCO,0,GDB ChEMBL
59626,NC(=O)c1c(Br)ccn2nc(N)c(N)c12,0,GDB ChEMBL
354065,C[NH2+]CC1C[NH2+]C(C)C2CC(O)C(C2)OC1=O,0,GDB ChEMBL
233422,NS(=O)(=O)C1CNC(=O)NCC(O)C1,0,GDB ChEMBL
53071,N#CC1CC1CS(=O)(=O)NCC[NH3+],0,GDB ChEMBL
209830,CC1CCCC[NH2+]C2(COC(C)C2)C(O)CC1,0,GDB ChEMBL
191726,NC(=O)OC1CC(NC(=O)C(O)C(N)=O)C1,1,GDB ChEMBL
6491,C#CC(CC1CC1)C(CO)C(F)(F)F,0,GDB ChEMBL
251819,CC[NH2+]CCC1(C)CC(C)=CC2OC2C1,0,GDB ChEMBL
35342,CC1(O)C2CC3OC(=O)C2C(O)C31,0,GDB ChEMBL
197051,C#CC1CCC=CC[NH+]1C,0,GDB ChEMBL
304136,COC(C)C1C2CCCC1C2,1,GDB ChEMBL
18321,C#CC(CC)C(=C)C1CCC[NH2+]C1,0,GDB ChEMBL
177225,Cc1[nH]cnc(=O)c1NC(N)=O,1,GDB ChEMBL
39915,C#CC1=CCCCN(C)C(=O)C1,1,GDB ChEMBL
384788,CC1CC2CC1(C)CC(C)C1(C)CCCCC21,0,GDB ChEMBL
153753,COc1cc(C)c(C(O)CO)[nH]c1=[NH2+],0,GDB ChEMBL
259388,CC1([NH3+])C2COC1CC([NH3+])C(C[NH3+])OC(=O)N2,0,GDB ChEMBL
18869,COC1CC(C)NC(C)(C#N)C(=O)OC1=N,1,GDB ChEMBL
200609,NCC1([NH+]=C(N)N)C(N)C1CC(N)=O,0,GDB ChEMBL
159726,CC(c1ccc(F)cn1)C1(C)OCC1=O,0,GDB ChEMBL
197096,CCC1(CC)CC2C(C)C(C1)C1CCCC21,0,GDB ChEMBL
205815,Nc1cccc(C#CCC=O)c1,1,GDB ChEMBL
204338,NC1C(=O)OCCC2OCC21,0,GDB ChEMBL
78345,CN1C2C(=O)CC1C1(C(=O)[O-])OC1C2O,0,GDB ChEMBL
151258,CCN1CC2(CCC(O)C2[NH2+]C)C1,0,GDB ChEMBL
383287,CC1(C#N)C2=CC[NH2+]C2(CC(=O)[O-])C1O,0,GDB ChEMBL
47353,C#CCCCNC(=O)COCCC,1,GDB ChEMBL
332341,C[NH2+]CC(C)C[NH2+]C1CCC2OC(=O)NC12,0,GDB ChEMBL
45064,CCCC(C#N)C[NH2+]CC,0,GDB ChEMBL
281200,C#Cc1c(O)cccc1N(C)C(C)(C)C#C,1,GDB ChEMBL
266477,C[NH2+]CC1C(C)C[NH2+]C1C,0,GDB ChEMBL
65931,[NH2+]=CNc1ccc(O)c2c1CCN2,0,GDB ChEMBL
321938,CC12C[NH2+]C(CCC1C1(C[NH3+])CC1)C2,0,GDB ChEMBL
174023,Cc1cnc(CC(=O)[O-])o1,1,GDB ChEMBL
288649,CN(C(=N)NC1CC1(O)C[NH3+])S(C)(=O)=O,0,GDB ChEMBL
217663,COCC1(C)CC2CC(C2)C(=O)C(OC)C1,0,GDB ChEMBL
221143,COc1nc(C)c(=O)cc(N)c1OCCC#N,0,GDB ChEMBL
381507,CC(O)C1C(C)C2CC2C1CC(C)(C)C,0,GDB ChEMBL
193776,[NH3+]CCC1CC([NH+]2CC3CCC(CC3)C2)C1,0,GDB ChEMBL
157427,NC1C(=O)NC(=O)C1(N)C([NH3+])C(=O)[O-],0,GDB ChEMBL
26603,COCC1COC(CO)(C(N)=O)C(C[NH3+])C1O,0,GDB ChEMBL
32043,CCC1CC2(C(N)=[NH+]CC(C)OC)CCC1C2,0,GDB ChEMBL
223296,CCC(C1CC1)[NH+](C)C1C(C)CCC1(C)N,0,GDB ChEMBL
21535,CC(C)C1OC2CNC(=O)NC(=O)C2NC1=O,0,GDB ChEMBL
286892,Cc1ccsc1CC1OCCC1C(C)C(C)O,0,GDB ChEMBL
28993,CC1=CCCC2(C)CC(C)CCC(C1)C2,0,GDB ChEMBL
314152,CCCCC1C=CC2CC(C)C=C12,0,GDB ChEMBL
184248,C#Cc1c(Br)cc(Br)c(Br)c1C[NH2+]CCCO,1,GDB ChEMBL
382950,CC1(C)CC(C)(C(=O)[O-])C1,0,GDB ChEMBL
238549,CC(O)C1Nc2cn(CC#N)nc2OC1=O,0,GDB ChEMBL
136036,CC(C)C(=[NH2+])NCC(=O)NC(N)=NCCO,1,GDB ChEMBL
380235,CCOCC[NH+]=C(N)CN(C=N)c1nccs1,0,GDB ChEMBL
81622,CCC1C2OC2C(C([NH3+])C(=O)[O-])C1(C)O,0,GDB ChEMBL
119805,C#CCN(C)C(C=NO)C[NH2+]CCOCC,0,GDB ChEMBL
217664,N#CCc1c[nH]c2ccc(Cl)nc12,1,GDB ChEMBL
382140,COC1(C(=O)[O-])C(O)CC([NH3+])C1O,0,GDB ChEMBL
19404,NC(=O)C1CC(O)C2(O)CCOCC1OC2=O,0,GDB ChEMBL
195362,COCC[NH2+]CCN1CC(C[NH3+])C1=O,0,GDB ChEMBL
366496,CCC([NH3+])c1[nH]cc(C)c1CNC(N)=[NH2+],0,GDB ChEMBL
305111,CC1C2CC(C[NH3+])C1C(=O)O2,0,GDB ChEMBL
178054,CCNC(C[NH3+])CC(CC)[NH2+]CCC(=O)[O-],0,GDB ChEMBL
116604,CCC12Cc3c(F)c(F)cc4c3C1C2C4,0,GDB ChEMBL
274825,CCC1OCC(N)=CC1=O,1,GDB ChEMBL
639,O=C([O-])C1N2CCC(=NO)C12CO,0,GDB ChEMBL
296093,[NH3+]C12CNCC(=O)OC(C1)C(O)C1[NH2+]CCC12,0,GDB ChEMBL
42237,OCC[NH+]1CC2(CCC2)C1,1,GDB ChEMBL
365727,N#CCNC(=N)c1cc(C(=O)[O-])[nH]n1,0,GDB ChEMBL
323358,CC1CC2CC(c3ccc(Br)cc3)C1C2,1,GDB ChEMBL
193235,C#CC1(CCC)NC(C#N)(COC)C1C,0,GDB ChEMBL
254205,C[NH+]1CC2CCC3OCC1C23,0,GDB ChEMBL
34912,COC1(C)C=C(CC(C)C)CCC#CCC1,0,GDB ChEMBL
356818,NC(=O)CC(C1CN1)[NH+]1CCC1,0,GDB ChEMBL
349451,C[NH2+]C1CCOC(=O)CCNC1=[NH2+],0,GDB ChEMBL
65960,CC12C(NC(N)=[NH2+])C1OCC(O)CS2(=O)=O,0,GDB ChEMBL
36158,CC12CC(C1)OCCCCC2(O)CC[NH3+],0,GDB ChEMBL
305532,C#CC(C)CC[NH+](C)C,1,GDB ChEMBL
379186,COc1cc(C)cc(C=O)n1,1,GDB ChEMBL
299598,CCOC1CC2C(CC)C2(C)C1,0,GDB ChEMBL
330944,CS(=O)(=O)C(CCO)Cc1ccn[nH]1,0,GDB ChEMBL
283295,CC(CCO)C(O)C1NC1COS(N)(=O)=O,0,GDB ChEMBL
236034,C#Cc1ccc(Br)cc1C(CCC)C(F)(F)F,1,GDB ChEMBL
280611,Nc1c(C2CCCC2)cc2n1CCC2,1,GDB ChEMBL
353990,COC1C(=O)NCC(C)([NH3+])C1C,0,GDB ChEMBL
310279,COc1ccc(=O)c(=N)ncc1C[NH3+],0,GDB ChEMBL
269375,CC(C)OC12CC(C)C(C1)[NH+]1CCCC12,0,GDB ChEMBL
34153,N#CC12CNC(=O)CC(=O)C1CN2C(N)=[NH2+],0,GDB ChEMBL
207935,CC1C=CC=CC=CCC(C)(O)CC1O,1,GDB ChEMBL
17529,COC1CN(C)C2C(=O)OC12,1,GDB ChEMBL
279228,CC(C)(C)OCC1CCCOC(=[NH2+])N1,0,GDB ChEMBL
199444,Cc1cc(Cl)cc2c1CC1CC1CC2C,1,GDB ChEMBL
62587,CCC#CC(C=O)OCCCc1ccoc1,1,GDB ChEMBL
283392,C#CC1CCCCCCC(C#C)C1C,0,GDB ChEMBL
321429,CC1CC2=C(C1)CC1CCC(C2)C1,0,GDB ChEMBL
244498,CCc1noc2c1CCCCC(C)CC(C)C2,0,GDB ChEMBL
387191,C#CC([NH3+])(CO)CC(C[NH2+]C)OCC,0,GDB ChEMBL
189769,CC1CCCC(C)(C)c2ccc(Cl)cc21,1,GDB ChEMBL
205948,N#CC1[N-]C(=O)C2([NH3+])C1C2(O)C(=O)[O-],0,GDB ChEMBL
156752,CC(C)(C#N)C(C[NH3+])(C[NH3+])C(O)CC(=O)[O-],0,GDB ChEMBL
189804,N#CC1CCCC1CC[NH3+],0,GDB ChEMBL
48123,C#CC(CCC1CC1)CC(C)C(C)(C)C,1,GDB ChEMBL
175542,C[NH2+]C1C(O)C(CC(N)=O)C2(C)NC12,0,GDB ChEMBL
175718,C#CC12CCCC(C)C(C1)C(C)C[NH+]2C,0,GDB ChEMBL
341315,CCC1CC2CCNC1(C#N)CO2,0,GDB ChEMBL
222089,Cc1cc(C2CC2)c(Br)cc1Br,1,GDB ChEMBL
46007,CC12OC(C(O)C1[NH3+])C2CC(=O)[O-],0,GDB ChEMBL
271080,CC[NH2+]CC(=O)NC1(C[NH+](C)C)COC1=O,0,GDB ChEMBL
77054,CNCC1[NH2+]CC1C1C[NH2+]C(C)(C)C1,0,GDB ChEMBL
134792,[NH3+]CCC(O)(C[NH3+])CCCCCc1ccn[nH]1,0,GDB ChEMBL
254277,CCC1CCC2(C[NH+](C)CC2(C)O)C1[NH3+],0,GDB ChEMBL
54825,CC[NH+]1CCCC(C)C2CC(C(C)=O)C(O)C21,0,GDB ChEMBL
5030,NC(=[NH2+])NCC1CC(=O)NC(=O)C1N,0,GDB ChEMBL
144600,COCCCCC([NH3+])C1CC1,0,GDB ChEMBL
169080,C#CC(C)(C)CCc1c(C)cccc1Cl,1,GDB ChEMBL
207717,CNC(=O)C(C(=O)CO)C(CO)C(N)=[NH2+],0,GDB ChEMBL
354119,CCC1CCCC1[NH+]1CCC(C)(C=O)C1C,0,GDB ChEMBL
323949,O=Cc1cnn2c1C[NH2+]C1CC(C1)C2,0,GDB ChEMBL
307567,N#Cc1[nH]cnc1C([NH3+])CC(=O)[O-],1,GDB ChEMBL
310764,NC(=O)CN1CC1c1ccon1,0,GDB ChEMBL
358173,CC12CCC1CCOC2=O,1,GDB ChEMBL
50108,CCn1nnc(NC(N)=[NH2+])c([O-])c1=O,0,GDB ChEMBL
112868,CC1C(=O)CN(C2COC2)C1CC(C)(C)O,0,GDB ChEMBL
77797,CCOc1ccc2cc(C)c(Cl)cc2c1,1,GDB ChEMBL
205753,CC[NH2+]C1CNC1C(=O)[O-],1,GDB ChEMBL
4817,C#CC[NH+](C)C(C)C1NC1C(C)OC,0,GDB ChEMBL
113468,CCC1CCC(C)(O)C1C,1,GDB ChEMBL
376022,CCCC(C)(C#CC[NH3+])OC,0,GDB ChEMBL
174044,CCC(=O)C1CC(O)C(C(=O)N(C=O)C=O)O1,1,GDB ChEMBL
147900,CCCCC(C)([NH2+]C)C1CCC[NH+](CC)CC1,0,GDB ChEMBL
135836,CCC1CC2C(C1)C1CC3(CC3)CC21,1,GDB ChEMBL
177229,C#CC(=O)NCC1(CCOC)CN1C,1,GDB ChEMBL
53292,CCCC1([NH2+]C)CC=C(C)CC1C,0,GDB ChEMBL
236595,C[NH2+]CC1CNC(=O)COC1C(C)=O,0,GDB ChEMBL
365745,Cc1csc(C2CC2C[NH3+])n1,0,GDB ChEMBL
366776,Cc1cc2ncc1NCC#CCCC2,1,GDB ChEMBL
79622,CC#CCC(CCC(C)C)C(C)(CC)CC,0,GDB ChEMBL
255358,CS(=O)(=O)CCNCc1ncon1,1,GDB ChEMBL
274082,CCOC1=NC(C)CCC(c2csc(N)n2)N1,0,GDB ChEMBL
318541,COC1C2CC[NH2+]C1CC2,0,GDB ChEMBL
206967,CC1C[NH2+]C(C)CC(O)CC2C(C1)N2C,0,GDB ChEMBL
349947,CCOc1cnc(N)c(C#N)c(=O)c1,0,GDB ChEMBL
29219,CCOC12CN(C1)C1(C(N)=O)CCC2C1C,0,GDB ChEMBL
280341,NC(=O)OC1C2(O)CC(=O)NC12CO,0,GDB ChEMBL
115544,NC(=[NH2+])N1CC(O)C(O)C1C(=O)[O-],1,GDB ChEMBL
375138,CC(O)CC(C)(O)C(N)C(=O)NC(N)=O,0,GDB ChEMBL
201441,CCOC(=O)C(C)C(=O)S(=O)(=O)[O-],0,GDB ChEMBL
64327,CNc1c(N(C)C(C)=O)c([O-])n2c1CNC2=O,0,GDB ChEMBL
280494,CCCN1CCOCC2([NH3+])CC(N)(C2)C1=O,0,GDB ChEMBL
176399,CC(C)[NH+](C)C1C2C=CC1(C)C2,0,GDB ChEMBL
34380,C#CCC#Cc1c(C)ccc(F)c1C,1,GDB ChEMBL
371679,NC(=O)C(NC=[NH2+])C1OCCC1[NH3+],0,GDB ChEMBL
380255,C[NH2+]CC(CO)OCC1(C)CC1C#N,1,GDB ChEMBL
203182,CCCC(C)OC(C)C1C=CCCCCO1,1,GDB ChEMBL
324025,CCc1ccc(Br)c2c1CC1(CC1)C2C,1,GDB ChEMBL
281787,CNC(=O)C1(C)CCCOC1,1,GDB ChEMBL
104947,CC#CC(C#N)n1cnc2cnc(C)cc21,1,GDB ChEMBL
147527,CCCC(C)([NH2+]C)C(=O)C(C[NH2+]C)NC,0,GDB ChEMBL
64345,N=C1NCC(=O)N1S(=O)(=O)CCC=O,1,GDB ChEMBL
147872,COCC1(CN(C)Cc2nccs2)OCCO1,1,GDB ChEMBL
211106,C#CCC(C)C([NH3+])CC,1,GDB ChEMBL
156092,CCOCC1C([NH3+])CN1CC,0,GDB ChEMBL
193297,CCC(C)CC1CC(CC)(C[NH3+])CCC1CC,0,GDB ChEMBL
354847,COCC([NH3+])CC(C)[NH3+],0,GDB ChEMBL
184244,Cc1nc(C(=O)NCC(O)C(N)=[NH2+])c(C#N)o1,0,GDB ChEMBL
48076,C[NH2+]CC1(C2CC[NH2+]C2)CC(=O)CCC(C)C1,0,GDB ChEMBL
108173,CCNC(=[NH2+])NC1=[NH+]CCCN1C,0,GDB ChEMBL
263536,C#CC12C=CC(=O)OC(CO1)C([NH2+]C)C2=O,0,GDB ChEMBL
22046,CNC(C)(C#N)CC(O)(CC1CO1)C(N)=O,1,GDB ChEMBL
204577,CCc1ccc2c(c1)C(C)C(CC([NH3+])CC)C2,0,GDB ChEMBL
203867,[NH3+]C12CC1N1CCNC(=O)OC(C1)C2O,0,GDB ChEMBL
330148,CC(C)C(=O)NCC1C2CCC1(C)C2C,0,GDB ChEMBL
64362,[NH3+]CC1CN2CCC1[NH2+]CC1OC1C([NH3+])C2,0,GDB ChEMBL
131649,CC[NH2+]C1(C)CC2(CC[NH+](C)CC1O)CC2,0,GDB ChEMBL
355411,[NH3+]CC(=O)Nc1ncc([N+](=O)[O-])nn1,0,GDB ChEMBL
170082,C[NH2+]CCC1CC2CCC(C)OCC(=[NH2+])N1C2,0,GDB ChEMBL
274034,CCC1(C)C2C=CC(C2)C1(C)CC(C)O,0,GDB ChEMBL
234258,C=CC1C=CCC1(O)CCC(=O)[O-],1,GDB ChEMBL
219491,CCC(C)c1ccc(CCC(F)(F)F)c(C)c1,1,GDB ChEMBL
357653,CC1C#Cc2cc(cnc2F)NCCC1,1,GDB ChEMBL
81544,CC1C(C#N)C2CC([NH3+])C(=O)N(C)C12,0,GDB ChEMBL
181675,CC(O)C1CC(C(=O)NC=O)[NH2+]C1C(C)C#N,0,GDB ChEMBL
354053,CC1CC(O)C2C(=O)OC12,1,GDB ChEMBL
215696,CC12CC1(C)C1CC(O)C[NH2+]C1C(=O)N2,0,GDB ChEMBL
137378,CCC1C(O)CC2C(=O)NC(CC2O)C1[NH2+]C,0,GDB ChEMBL
292326,N#CC1CCCN1CC(=O)[O-],1,GDB ChEMBL
47741,C[NH2+]CC(=O)CC(C)[NH2+]C,0,GDB ChEMBL
263454,CCC1C(C)NC(=O)C(N)C1(O)C(O)CO,0,GDB ChEMBL
40904,CC(NC1=Nc2oncc2OC1)C(=O)[O-],0,GDB ChEMBL
363263,C[NH2+]CC12C=CCCCC(C1)C(C)(C)C2,0,GDB ChEMBL
187253,CCN(CC(C)(C)C)c1ccc(I)cn1,1,GDB ChEMBL
227958,COC1CC2CCOCC1[NH2+]2,0,GDB ChEMBL
204513,N=c1c2cn[nH]c2ncn1CCC(O)CO,1,GDB ChEMBL
296410,C[NH+](C)CC1OC12C=CCNC(=O)CC2,0,GDB ChEMBL
149927,Nc1cccc(=NC(CCO)CCO)[nH+]c1N,0,GDB ChEMBL
47566,CC1CCC([NH3+])C2OC(CO1)C(CC[NH3+])C2O,0,GDB ChEMBL
107691,CCCC1CC1CC1C=CCC(C)C1,1,GDB ChEMBL
12802,CC[NH+](C)CC1OC2CC1[NH2+]CC2C=NO,0,GDB ChEMBL
26910,C#CCC1(CO)CC=C(C)C(C)C1,0,GDB ChEMBL
69599,CNC(C[NH2+]C)C1C([NH3+])C1CO,0,GDB ChEMBL
3963,CC(C)(C)C[NH2+]C(C=O)CC=O,0,GDB ChEMBL
344305,O=CC(CO)NCC1NS(=O)(=O)CC1=O,0,GDB ChEMBL
286102,C#CCCC(C)(C)OC1CCC(C)(CC)CC1,1,GDB ChEMBL
106622,CC12CC(C[NH2+]1)C(O)(C(=O)[O-])C(C)(O)C2,0,GDB ChEMBL
183455,C#CC[NH+]1C2CCOC2C2CC2C1C(=O)[O-],0,GDB ChEMBL
125631,CNC1C(=O)OC2C(CO)C12S(N)(=O)=O,0,GDB ChEMBL
186546,NC(=[NH2+])C1C(=O)NC2C(O)CNC1C(O)C2O,0,GDB ChEMBL