SMILES,Parent SMILES,QED,SA,pKi,Environment Reward,Total Reward,No Steric Strain,No Problematic Functional Group
COC1=C(OC)C=C(C2CCN(C)C2)C(O)=C1,NCCc1cc(O)c(O)cc1O,0.870517595,0.826131286,-3.795696698,-0.106510504,3.071011057,TRUE,TRUE
O=C(C1=CC=CC=C1)N1CCCC[C@@H]1[C@H](CO)C1=CC=CC=C1,OC[C@@H]([C@H]1CCCCN1Cc1ccccc1)c1ccccc1,0.939393157,0.808163111,-3.194826675,0.545266906,4.181693625,TRUE,TRUE
CCN(C)C(=O)C1(C2=CC=C(F)C(F)=C2)CCCCC1,CN(C)CC1(CCCCC1)c1ccc(F)c(F)c1,0.827939331,0.84093408,-3.145731423,0.515679302,2.270690846,TRUE,TRUE
CCC(=O)N[C@@H](C#N)CC1=CC=C2OCOC2=C1,C[C@H](N)Cc1ccc2OCOc2c1,0.870683807,0.800692615,-3.099094668,0.564819068,7.126467357,TRUE,TRUE
CC(C)C1=CC=C(OC2=CC=CC=C2C2=NC(=O)N2C)C(N)=C1,CN(C)Cc1ccccc1Oc1ccc(C)cc1N,0.868030549,0.82502018,-3.066847593,0.618740449,3.397615963,TRUE,TRUE
CCNC(=O)CC1=CC=C(OCC)C(OC)=C1,NCCc1ccc(O)c(O)c1,0.819944523,0.927510696,-3.028411379,0.711581154,8.407799505,TRUE,TRUE
CCN(C)C(=O)C1(C2=CC=C(Cl)C(F)=C2)CCCCC1,CN(C)CC1(CCCCC1)c1ccc(Cl)c(F)c1,0.820180436,0.83701436,-2.653674704,0.996057406,2.301857627,TRUE,TRUE
CCCC(C(=O)C1=CC=C(O)C(OC)=C1)N1CCCC1,CCCC(N1CCCC1)C(=O)c1ccc(O)c(O)c1,0.812324664,0.820523636,-2.519809357,1.105576257,3.20513975,TRUE,TRUE
CCCC(C(=O)C1=CC=C(O)C(OC)=C1)N1CCCC1,CCCC(N1CCCC1)C(=O)c1ccc(O)c(O)c1,0.812324664,0.820523636,-2.519809357,1.105576257,2.799821578,TRUE,TRUE
CCNCCC(=O)N1CC2=CC=CC=C2C(C2=CC=C(F)C(F)=C2)C1,CN1CC(c2ccc(F)c(F)c2)c2ccccc2C1,0.842985287,0.803055998,-2.478671135,1.159907463,2.880923595,TRUE,TRUE
CNC(=O)CN1CC(C2=CC=C(F)C(F)=C2)C2=CC=CC=C2C1=O,CN1CC(c2ccc(F)c(F)c2)c2ccccc2C1,0.938733982,0.806420571,-2.473679619,1.264012247,2.160182463,TRUE,TRUE
O=C1CCC(C(=O)N2CCOCC2)(C2=CC=C(Cl)C(Cl)=C2)CC1,Clc1ccc(cc1Cl)C1(CN2CCOCC2)CCCCC1,0.817465582,0.830659762,-2.471970157,1.1686925,1.425707826,TRUE,TRUE
CN=CC1=CC=C(OC2=CC=CC=C2CN(C)C)C(NC)=C1,CN(C)Cc1ccccc1Oc1ccc(C)cc1N,0.827242789,0.839797432,-2.461636796,1.197940739,4.746174313,TRUE,TRUE
CCC(C)C(=O)N(CC1=CC=CC=C1Cl)C1CCN(C)CC1,CC(C)CN(Cc1ccccc1Cl)C1CCNCC1,0.822696464,0.81588755,-2.421528641,1.209592686,5.389712917,TRUE,TRUE
CCOC1=CC=CC=C1OC1CCN(CC)C2=CC=CC=C21,CNCCC(Oc1ccccc1OC)c1ccccc1,0.814334316,0.82519084,-2.408716207,1.223346263,6.157260037,TRUE,TRUE
CC(=O)N[C@H]1CC2=CC=CC=C2N(C2=CC=C(Cl)C(Cl)=C2)C1,CN[C@@H]1CN(c2ccc(Cl)c(Cl)c2)c2ccccc2C1,0.892387911,0.829860311,-2.348917332,1.365868204,2.797002284,TRUE,TRUE
CC(CNC(C)(C)C)C(=O)C1=CC=CC(Cl)=C1,CC(CNC(C)(C)C)C(=O)c1cccc(Cl)c1,0.831893767,0.821564398,-2.325664273,1.320331205,2.181599506,TRUE,TRUE
CC(CNC(C)(C)C)C(=O)C1=CC=CC(Cl)=C1,CC(CNC(C)(C)C)C(=O)c1cccc(Cl)c1,0.831893767,0.821564398,-2.325664273,1.320331205,5.528098039,TRUE,TRUE
CC(CNC(C)(C)C)C(=O)C1=CC=CC(Cl)=C1,CC(CNC(C)(C)C)C(=O)c1cccc(Cl)c1,0.831893767,0.821564398,-2.325664273,1.320331205,5.191080211,TRUE,TRUE
CC(CNC(C)(C)C)C(=O)C1=CC=CC(Cl)=C1,CC(CNC(C)(C)C)C(=O)c1cccc(Cl)c1,0.831893767,0.821564398,-2.325664273,1.320331205,6.487036346,TRUE,TRUE
CCCCN(C(=O)C1=CC=C2C=CC=CC2=C1)[C@H]1CCNC1,CCCCN(Cc1ccc2ccccc2c1)[C@H]1CCNC1,0.916362171,0.830181706,-2.231378044,1.507703146,4.201745116,TRUE,TRUE
CC(=O)N[C@@H]1CC[C@@H](C2=CC=C(Cl)C=C2)C2=CC=CC=C21,CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12,0.872280343,0.803487866,-2.223819663,1.444485859,2.780538625,TRUE,TRUE
CN1CC(C2=CC=C(F)C=C2)C2=CC=C(C#N)C=C2C1=O,CN1CC(c2ccc(F)cc2)c2ccc(C)cc2C1,0.805837735,0.807297304,-2.191819164,1.413853189,1.645029312,TRUE,TRUE
CC1=CC=CC2=CC(C3(C(=O)N(C)C)CCCCC3)=CC=C12,CN(C)CC1(CCCCC1)c1ccc2ccccc2c1,0.801882227,0.850241105,-2.187639309,1.457021336,1.692828464,TRUE,TRUE
COC(=O)N1CC2=CC(C(=O)N(C)C)=CC=C2C(C2=CC=C(Cl)C=C2)C1,CN1CC(c2ccc(Cl)cc2)c2ccc(C)cc2C1,0.806133563,0.80612181,-2.179199523,1.425593163,1.576482392,TRUE,TRUE
CCC(=O)N1CC2=CC(CO)=CC=C2[C@H](C2=CC=C(F)C=C2)C1,CN1C[C@@H](c2ccc(F)cc2)c2ccc(C)cc2C1,0.945108745,0.808596449,-2.148577873,1.597664635,3.778472761,TRUE,TRUE
CCNCC1=CC=C(C2CN(CC)C(=O)C3=CC=CC=C32)C=C1F,CN1CC(c2ccc(C)c(F)c2)c2ccccc2C1,0.911299023,0.802613334,-2.14629882,1.560150851,1.684324063,TRUE,TRUE
CC(NC(C)(C)C)C(=O)C1=CC(Cl)=CC(Cl)=C1,CC(NC(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1,0.845349801,0.804271942,-2.1199181,1.522240957,1.821122168,TRUE,TRUE
CC(NC(C)(C)C)C(=O)C1=CC(Cl)=CC(Cl)=C1,CC(NC(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1,0.845349801,0.804271942,-2.1199181,1.522240957,2.112092612,TRUE,TRUE
CC(NC(C)(C)C)C(=O)C1=CC(Cl)=CC(Cl)=C1,CC(NC(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1,0.845349801,0.804271942,-2.1199181,1.522240957,1.446721194,TRUE,TRUE
CC(NC(C)(C)C)C(=O)C1=CC(Cl)=CC(Cl)=C1,CC(NC(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1,0.845349801,0.804271942,-2.1199181,1.522240957,1.515708325,TRUE,TRUE
CCN1CC(C2=CC=CC=C2)C2=CC=CC=C2C1=O,CCN1CC(c2ccccc2)c2ccccc2C1,0.801671506,0.843866373,-2.095991255,1.542083937,2.309397434,TRUE,TRUE
CCC(=O)N1CCC(C2=C(OC3=CC=CC=C3)C=CC=C2F)CC1,Fc1cccc(Oc2ccccc2)c1C1CCNCC1,0.811980767,0.878629205,-2.092439577,1.590707709,6.881724765,TRUE,TRUE
CCCC(=O)N(CC1=CC=C2C=CC=CC2=C1)[C@H]1CCNC1,CCCCN(Cc1ccc2ccccc2c1)[C@H]1CCNC1,0.917627885,0.825537715,-2.08377254,1.651930374,3.429448011,TRUE,TRUE
CCN(C)C(=O)CC(=O)NC1(C2=CC3=CC=CC=C3S2)CCCCC1,NCCCNC1(CCCCC1)c1cc2ccccc2s1,0.820044651,0.804401674,-2.050300424,1.566683215,3.226067006,TRUE,TRUE
CC1=CC=C(N)C(C2=CC=CC=C2C(C)(C)N2CCC2)=C1,CN(C)Cc1ccccc1-c1cc(C)ccc1N,0.854384454,0.851671958,-2.036449178,1.662144548,1.943081089,TRUE,TRUE
CN1CC[C@@H](N(CC2CC2)C(=O)C2=C(Cl)C(Cl)=CC=C2)C1,Clc1cccc(CN(CC2CC2)[C@@H]2CCNC2)c1Cl,0.844296009,0.802038166,-2.032032467,1.606839022,2.325065511,TRUE,TRUE
CNC1(C2=C(OC3=CC=CC=C3)C=CC=C2F)CCN(C)CC1,Fc1cccc(Oc2ccccc2)c1C1CCNCC1,0.929797782,0.838363413,-2.031794082,1.728904426,2.64744286,TRUE,TRUE
CCOC1=CC=CC=C1OC1=C(C2CCNCC2)C(F)=CC=C1,Fc1cccc(Oc2ccccc2)c1C1CCNCC1,0.881975796,0.865652259,-2.021176877,1.718988491,6.207462676,TRUE,TRUE
CC(NC(C)(C)C)C(=O)C1=CC=CC(Cl)=C1,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,0.820493772,0.82925691,-2.007933421,1.634354574,2.59740722,TRUE,TRUE
CC(NC(C)(C)C)C(=O)C1=CC=CC(Cl)=C1,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,0.820493772,0.82925691,-2.007933421,1.634354574,2.477113578,TRUE,TRUE
CN1CCC(C2=C(OC3=CC=CC=C3)C=CC=C2F)CC1=O,Fc1cccc(Oc2ccccc2)c1C1CCNCC1,0.858446399,0.817284487,-1.999436834,1.668831366,6.395119844,TRUE,TRUE
COC1=CC=C2C(=C1)CN(C(C)=O)CC2C1=CC=C(C)C=C1,COc1ccc2C(CN(C)Cc2c1)c1ccccc1,0.848421501,0.82988587,-1.996435495,1.674409189,5.261293879,TRUE,TRUE
CNC1(C2=CC=CC=C2OC2=CC=C(F)C=C2C)CCNCC1,Fc1ccc(Oc2ccccc2C2CCNCC2)cc1,0.902091353,0.828497679,-1.979563051,1.743563295,5.095762985,TRUE,TRUE
OC1(C2=C(OC3=CC=CC=C3)C=CC=C2F)CCNCC1,Fc1cccc(Oc2ccccc2)c1C1CCNCC1,0.91067959,0.849193948,-1.962886931,1.789523921,4.365155625,TRUE,TRUE
CCN1CC2=CC(C=O)=CC=C2[C@H](C2=CC=C(F)C=C2)C1,CN1C[C@@H](c2ccc(F)cc2)c2ccc(C)cc2C1,0.802098613,0.80531088,-1.960231181,1.639715625,2.170806369,TRUE,TRUE
CCOC(=O)C1=C(C2=CC=C3C=CC=CC3=C2)CCN(C(=O)CNC)C1,CCOC(=O)C1=C(CCNC1)c1ccc2ccccc2c1,0.840639572,0.843122203,-1.946095267,1.730203821,3.164396673,TRUE,TRUE
O=C1CC(C2=C(OC3=CC=CC=C3)C=CC=C2F)CCN1,Fc1cccc(Oc2ccccc2)c1C1CCNCC1,0.935178497,0.812150242,-1.937468416,1.802397636,8.431396015,TRUE,TRUE
CC1(C2=CC(F)=C(F)C=C2OC2=CC=C(F)C=C2)CCN(C(=O)CN)CC1,Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1,0.881987992,0.825962278,-1.913394729,1.787092855,2.33712332,TRUE,TRUE
CC(=O)N1CC2=CC(CN)=CC=C2C(C2=CC=CC(Cl)=C2)C1,CN1CC(c2cccc(Cl)c2)c2ccc(C)cc2C1,0.924239172,0.806243438,-1.913099624,1.809920299,1.839501061,TRUE,TRUE
CC(C)CN(C1CCN(C)CC1)C(C)C1=CC=CC(F)=C1,CC(C)CN(Cc1cccc(F)c1)C1CCNCC1,0.810851607,0.802794665,-1.901127863,1.705055723,3.427188683,TRUE,TRUE
CCCN1CC(C2=CC=CC=C2)C2=CC=C(OC)C=C2C1=O,COc1ccc2C(CN(C)Cc2c1)c1ccccc1,0.860607005,0.827572644,-1.889961625,1.790755338,4.74432875,TRUE,TRUE
CCNC1=CC(CC)=CC=C1OC1=CC=CC=C1CN(C)C,CN(C)Cc1ccccc1Oc1ccc(C)cc1N,0.812203648,0.882616043,-1.889192632,1.798164372,4.574253194,TRUE,TRUE
CCC1=CC(F)=CC=C1OC1=CC(F)=C(F)C=C1C1CCN(O)CC1,Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1,0.838777799,0.820742439,-1.888136989,1.763920562,1.861480054,TRUE,TRUE
CC(C)N[C@H]1CC2=CC=CC=C2N(C2=CC=C(Cl)C(Cl)=C2)C1,CN[C@@H]1CN(c2ccc(Cl)c(Cl)c2)c2ccccc2C1,0.843892275,0.815959071,-1.880596619,1.77179204,2.078643826,TRUE,TRUE
O=C1NCCCN2C3=CC=CC=C3CCC3=CC=CC1=C32,CNCCCN1c2ccccc2CCc2ccccc12,0.803004454,0.856371608,-1.867309992,1.784603383,6.771127814,TRUE,TRUE
CNCC1(C2=CC=C3C=CC=C(F)C3=C2)CCC(N)CC1,NCC1(CCCCC1)c1ccc2ccccc2c1,0.907936483,0.821876777,-1.862340233,1.860010341,1.764350097,TRUE,TRUE
CCCCN1CC2=CC(C(=O)NCC)=CC=C2[C@H](C2=CC=C(F)C=C2)C1,CN1C[C@@H](c2ccc(F)cc2)c2ccc(C)cc2C1,0.837661332,0.818453763,-1.837181724,1.811470685,1.771216454,TRUE,TRUE
CCOC1=CC=C2C(=C1)C(=O)N(C)C(=O)C2C1=CC=C(F)C(F)=C1,CN1CC(c2ccc(F)c(F)c2)c2ccc(O)cc2C1,0.812097641,0.804265322,-1.835249337,1.77365094,3.423364672,TRUE,TRUE
CC(NC1CCCC1)C(=O)C1=C(F)C=CC(Cl)=C1,CC(NC1CCCC1)C(=O)c1cccc(Cl)c1,0.846737888,0.822399312,-1.822089539,1.839584975,1.911109696,TRUE,TRUE
CCC(=O)N(C)CC1=CC=CC=C1C1=CC(C)=CC=C1N,CN(C)Cc1ccccc1-c1cc(C)ccc1N,0.870679456,0.881887608,-1.820126414,1.924977963,3.243663602,TRUE,TRUE
CC1=CC(Cl)=CC(C(=O)C(C)NC2CCCC2)=C1,CC(NC1CCCC1)C(=O)c1cccc(Cl)c1,0.840348165,0.814755005,-1.819584603,1.828055881,1.994615214,TRUE,TRUE
CC1=CC(Cl)=CC(C(=O)C(C)NC2CCCC2)=C1,CC(NC1CCCC1)C(=O)c1cccc(Cl)c1,0.840348165,0.814755005,-1.819584603,1.828055881,2.679742922,TRUE,TRUE
CC(=O)NCC1(C2=CC=C3C=CC(P)=CC3=C2)CCCCC1,NCC1(CCCCC1)c1ccc2ccccc2c1,0.860632088,0.808075427,-1.807300271,1.853944557,1.815263726,TRUE,TRUE
CC1=CC(F)=CC(C)=C1OC1=CC(F)=C(F)C=C1C1CCNCC1,Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1,0.854000858,0.835592579,-1.77656406,1.905566691,3.327583298,TRUE,TRUE
CC1=C(C)C(OC2=CC(F)=C(F)C=C2C2CC(=O)NC(=O)C2)=CC=C1F,Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1,0.837907557,0.816722449,-1.774251806,1.872915513,5.151575923,TRUE,TRUE
CNCCN1CC2=CC=CC=C2C(C2=CC=C(C)C=C2)C1=O,CCN1CC(c2ccccc2)c2ccccc2C1,0.94007284,0.811458602,-1.768905381,1.975163375,4.715945544,TRUE,TRUE
CCOC1=CC=C2C(=C1)C(=O)N(C)CC2C1=CC=C(F)C(F)=C1,CN1CC(c2ccc(F)c(F)c2)c2ccc(O)cc2C1,0.86578732,0.808325181,-1.766377891,1.900271924,2.212690925,TRUE,TRUE
CC(C)(C)NC1(C(=O)C2=CC=CC(Cl)=C2)CCCCC1,CCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,0.824396151,0.826728206,-1.75928073,1.88438094,1.870825053,TRUE,TRUE
CC1=CC2=C(C)C=C(C3(C(=O)NC(=O)C(C)C)CCCCC3)C=C2C=C1,CNCC1(CCCCC1)c1ccc2ccccc2c1,0.849568902,0.831640313,-1.747426759,1.92631977,1.990781188,TRUE,TRUE
CN(C)CC1(C2=CC=C(Cl)C(F)=C2)CCC(=O)CC1,CN(C)CC1(CCCCC1)c1ccc(Cl)c(F)c1,0.847085162,0.816129046,-1.744049208,1.911702314,1.955994547,TRUE,TRUE
CCN1CC(C2=CC(C)=CC=C2)C2=CC=C(OC)C=C2C1=O,COc1ccc2C(CN(C)Cc2c1)c1ccccc1,0.865422599,0.817549641,-1.737196619,1.938312935,2.571621587,TRUE,TRUE
CCN1CC2=CC(OCCNC)=CC=C2C(C2=CC=CC=C2)C1,COc1ccc2C(CN(C)Cc2c1)c1ccccc1,0.829005084,0.812324567,-1.712580821,1.921286144,2.290960619,TRUE,TRUE
NCC1=CC=C(CNC(=O)C2=C(C3=CC=C(Cl)C(Cl)=C3)CCC2)O1,Clc1ccc(cc1Cl)C1=C(CCC1)C(=O)NCc1ccco1,0.830231434,0.826014103,-1.710687113,1.938095738,2.151985586,TRUE,TRUE
CCN1CCC(N(CC2=CC=CC(C)=C2)C2=CC2(C)C)CC1,CC(C)CN(Cc1cccc(C)c1)C1CCNCC1,0.803408407,0.82551335,-1.709954261,1.91150481,2.708690407,TRUE,TRUE
CCCCN1C[C@@H](C2=CC=C(F)C=C2)C2=CC=C(C)C=C2C1=O,CN1C[C@@H](c2ccc(F)cc2)c2ccc(C)cc2C1,0.812588073,0.820216094,-1.700393194,1.924948287,1.935392292,TRUE,TRUE
CC(=O)N(C)CC1(C2=CC=C(Cl)C=C2)CCCCC1,CN(C)CC1(CCCCC1)c1ccc(Cl)cc1,0.818273009,0.853130346,-1.691821358,1.972119311,3.500268136,TRUE,TRUE
CC(NC1CCCC1)C(=O)C1=CC=CC(Cl)=C1,CC(NC1CCCC1)C(=O)c1cccc(Cl)c1,0.830932447,0.839927945,-1.654170991,2.009226715,3.049937473,TRUE,TRUE
CC(NC1CCCC1)C(=O)C1=CC=CC(Cl)=C1,CC(NC1CCCC1)C(=O)c1cccc(Cl)c1,0.830932447,0.839927945,-1.654170991,2.009226715,2.901121257,TRUE,TRUE
CC(NC1CCCC1)C(=O)C1=CC=CC(Cl)=C1,CC(NC1CCCC1)C(=O)c1cccc(Cl)c1,0.830932447,0.839927945,-1.654170991,2.009226715,3.185345767,TRUE,TRUE
CC(NC1CCCC1)C(=O)C1=CC=CC(Cl)=C1,CC(NC1CCCC1)C(=O)c1cccc(Cl)c1,0.830932447,0.839927945,-1.654170991,2.009226715,2.425542949,TRUE,TRUE
CC(NC1CCCC1)C(=O)C1=CC=CC(Cl)=C1,CC(NC1CCCC1)C(=O)c1cccc(Cl)c1,0.830932447,0.839927945,-1.654170991,2.009226715,2.618279098,TRUE,TRUE
CCN1CC[C@H](C2=CC=C(Cl)C=C2)[C@@H](CO)C1,CN1CC[C@@H]([C@@H](CO)C1)c1ccc(Cl)cc1,0.895578428,0.801617751,-1.652543642,2.03718985,2.907109149,TRUE,TRUE
CC1=CC2=CC=C(C3(C(=O)N(C)C)CCCCC3)C=C2C=C1,CN(C)CC1(CCCCC1)c1ccc2ccccc2c1,0.801882227,0.85720314,-1.633941885,2.017680795,2.185053446,TRUE,TRUE
C=CC1=CC=C(F)C(C2CCNCC2)=C1OC1=CC=C(C)C=C1F,Fc1cccc(Oc2ccccc2)c1C1CCNCC1,0.834763773,0.818154148,-1.633134036,2.012321199,2.206675746,TRUE,TRUE
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CNC[C@]1(C2=CC=C3C=CC=CC3=C2)CC[C@@](C)(O)CC1,CNC[C@@]1(CC[C@@](C)(O)CC1)c1ccc2ccccc2c1,0.901434461,0.832619598,-1.317077534,2.409513838,2.378653405,TRUE,TRUE
CNC[C@]1(C2=CC=C3C=CC=CC3=C2)CC[C@@](C)(O)CC1,CNC[C@@]1(CC[C@@](C)(O)CC1)c1ccc2ccccc2c1,0.901434461,0.832619598,-1.317077534,2.409513838,2.712819694,TRUE,TRUE
CCC(NC(C)(C)C)C(=O)C1=CC=CC(Cl)=C1,CCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,0.829584455,0.818097731,-1.316680171,2.323539329,2.655270616,TRUE,TRUE
CCC(NC(C)(C)C)C(=O)C1=CC=CC(Cl)=C1,CCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,0.829584455,0.818097731,-1.316680171,2.323539329,2.278164504,TRUE,TRUE
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CNCC1(C2=CC=C3C=CC=CC3=C2)CCCCC1,CNCC1(CCCCC1)c1ccc2ccccc2c1,0.861453575,0.872887266,-0.768647306,2.958230849,2.926338313,TRUE,TRUE
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COC1(C)CCC(CN2CCC2)(C2=CC=CC(Cl)=C2)CC1,CN(C)CC1(CCCCC1)c1cccc(Cl)c1,0.82373442,0.815233861,-0.740688503,2.890817092,3.587560609,TRUE,TRUE
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CC1CN(CCOC(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)CCN1,Fc1ccc(cc1)C(OCCN1CCNCC1)c1ccc(F)cc1,0.867974406,0.805695248,-0.704216175,2.961990792,5.111838999,TRUE,TRUE
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OCCNCC1(C2=CC=C3C=CC=CC3=C2)CCCCC1,NCC1(CCCCC1)c1ccc2ccccc2c1,0.821418796,0.863139101,0.316891994,3.993987204,4.888179389,TRUE,TRUE
CC(C)NCC1(C2=CC=C(Cl)C(Cl)=C2)CCCCC1,CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1,0.806219917,0.85568158,0.338882602,3.993321413,4.158625277,TRUE,TRUE
CC(C)NCC1(C2=CC=C(Cl)C(Cl)=C2)CCCCC1,CCNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1,0.806219917,0.85568158,0.338882602,3.993321413,4.063957019,TRUE,TRUE
CCN(C)CC1(C2=CC=C3C=C(C)C(N)=CC3=C2)CCCCC1,CN(C)CC1(CCCCC1)c1ccc2ccccc2c1,0.815160606,0.82135278,0.436029367,4.065080066,4.164517246,TRUE,TRUE
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CCNCC1(C2=CC=C3C=CC=CC3=C2)CCCCC1,NCC1(CCCCC1)c1ccc2ccccc2c1,0.84984127,0.872043631,0.529882676,4.244304891,4.371438337,TRUE,TRUE
CN(C)CCC(C#N)(C1=CC=CC=C1)C1=CC=CC=C1,CN(C)CCC(C#N)(c1ccccc1)c1ccccc1,0.826760123,0.870932613,1.337934122,5.028164171,6.478280292,TRUE,TRUE
CN(C)CCC(C#N)(C1=CC=CC=C1)C1=CC=CC=C1,CN(C)CCC(C#N)(c1ccccc1)c1ccccc1,0.826760123,0.870932613,1.337934122,5.028164171,6.808024047,TRUE,TRUE
CCN(C)CCC(C#N)(C1=CC=CC=C1)C1=CC=C(F)C=C1,CN(C)CCC(C#N)(c1ccccc1)c1ccccc1,0.806010451,0.807853364,1.356629624,4.963030752,5.456414727,TRUE,TRUE
CCN(C)CCC(C#N)(C1=CC=CC=C1)C1=CC=CC=C1,CN(C)CCC(C#N)(c1ccccc1)c1ccccc1,0.802483864,0.861554213,1.585891324,5.242466714,6.667008235,TRUE,TRUE