Drugs,Names,SMILES
1,Cefotiam,C[NH+](C)CCn1c(nnn1)SCC2=C(N3[C@@H]([C@H](C3=O)NC(=O)Cc4csc(n4)N)SC2)C(=O)[O-]
2,Rolitetracycline,C[C@]1(c2cccc(c2C(=O)C3=C([C@@]4([C@H](C[C@H]31)[C@@H](C(=C(C4=O)C(=O)NC[NH+]5CCCC5)O)[NH+](C)C)O)O)O)O
3,Benidipine,CC1=NC(=C([C@H](C1C(=O)OC)c2cccc(c2)[N+](=O)[O-])C(=O)O[C@H]3CCC[NH+](C3)Cc4ccccc4)C
4,Cisapride,COc1cc(c(cc1C(=O)N[C@H]2CC[NH+](C[C@@H]2OC)CCCOc3ccc(cc3)F)Cl)N
5,Dantrolene,c1cc(ccc1c2ccc(o2)/C=N/N3CC(=O)NC3=O)[N+](=O)[O-]
6,Nizatidine,C/[NH+]=C(/C[N+](=O)[O-])\NCCSCc1csc(n1)CN(C)C
7,Bisoprolol,CC(C)[NH2+]C[C@H](COc1ccc(cc1)COCCOC(C)C)O
8,Valacyclovir,CC(C)[C@H](C(=O)OCCOCn1cnc2c1nc([nH]c2=O)N)[NH3+]
9,Pantoprazole,COc1ccnc(c1OC)C[S@](=O)c2[nH]c3cc(ccc3n2)OC(F)F
10,Acitretin,Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C/C(=O)[O-])/C)/C)C)C)OC
11,Oxybutynin,CC[NH+](CC)CC#CCOC(=O)[C@@](c1ccccc1)(C2CCCCC2)O
12,Pentamidine,c1cc(ccc1C(=[NH2+])N)OCCCCCOc2ccc(cc2)C(=[NH2+])N
13,Furaltadone,c1cc(oc1/C=N/N2C[C@@H](OC2=O)C[NH+]3CCOCC3)[N+](=O)[O-]
14,Butacaine,CCCC[NH+](CCCC)CCCOC(=O)c1ccc(cc1)N
15,Bifonazole,c1ccc(cc1)c2ccc(cc2)[C@H](c3ccccc3)n4cc[nH+]c4
16,13-cis-retinoic acid,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)[O-])/C)/C
17,Gabexate,CCOC(=O)c1ccc(cc1)OC(=O)CCCCCNC(=[NH2+])N
18,Suloctidil,CCCCCCCC[NH2+][C@@H](C)[C@@H](c1ccc(cc1)SC(C)C)O
19,Capsaicin,CC(C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O
20,Pramoxine,CCCCOc1ccc(cc1)OCCC[NH+]2CCOCC2
21,Midodrine,COc1ccc(c(c1)[C@@H](CNC(=O)C[NH3+])O)OC
22,Metoprolol,CC(C)[NH2+]C[C@H](COc1ccc(cc1)CCOC)O
23,Glipizide,Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)/N=C(/NC3CCCCC3)\[O-]
24,Fenofibrate,CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl
25,Bezafibrate,CC(C)(C(=O)[O-])Oc1ccc(cc1)CCNC(=O)c2ccc(cc2)Cl
,Lansoprazole,Cc1c(cc[nH+]c1C[S@](=O)c2[nH]c3ccccc3n2)OCC(F)(F)F
,Omeprazole,Cc1c[nH+]c(c(c1OC)C)C[S@](=O)c2[nH]c3cc(ccc3n2)OC
,Rabeprazole,Cc1c(cc[nH+]c1C[S@@](=O)c2[nH]c3ccccc3n2)OCCCOC