name SMILES InChI Acebutolol CC(C)NCC(O)COC1=C(C(C)=O)C=C(NC(CCC)=O)C=C1 InChI=1/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)/t15-/m1/s1 Amoxicillin O=C(O)[C@H]1C(C)(C)S[C@@H](N21)[C@H](NC([C@@H](C3=CC=C(O)C=C3)N)=O)C2=O InChI=1/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10+,11-,14+/m0/s1 Bendroflumethiazide O=S1(C2=CC(S(N)(=O)=O)=C(C(F)(F)F)C=C2NC(CC3=CC=CC=C3)N1)=O InChI=1/C15H18F3N3O4Rn2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-25H,6,19H2/t14-/m0/s1 Benzocaine NC1=CC=C(C(OCC)=O)C=C1 InChI=1/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 Benzthiazide O=S1(C2=CC(S(N)(=O)=O)=C(Cl)C=C2N=C(CSCC3=CC=CC=C3)N1)=O InChI=1/C15H18ClN3O4Rn2S/c16-11-6-12-14(7-13(11)24(17,20)21)25(22,23)19-15(18-12)9-26-8-10-4-2-1-3-5-10/h1-7,20-23H,8-9,17H2,(H,18,19) 2-chloromandelic_acid OC(C(O)C1=CC=CC=C1Cl)=O InChI=1/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m0/s1 Clozapine ClC(C=C1)=CC2=C1NC(C=CC=C3)=C3C(N4CCN(C)CC4)=N2 InChI=1/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3 Dibucaine CCN(CC)CCNC(C1=C(C=CC=C2)C2=NC(OCCCC)=C1)=O InChI=1/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24) Diethylstilbestrol CC/C(C1=CC=C(O)C=C1)=C(C2=CC=C(O)C=C2)/CC InChI=1/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+ Diflunisal FC(C=C1F)=CC=C1C2=CC=C(O)C(C(O)=O)=C2 InChI=1/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) Dipyridamole OCCN(CCO)C1=NC2=C(N3CCCCC3)N=C(N(CCO)CCO)N=C2C(N4CCCCC4)=N1 InChI=1/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2 Ephedrine CN[C@H](C)[C@@H](O)C1=CC=CC=C1 InChI=1/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m1/s1 Folic_Acid OC([C@H](CCC(O)=O)NC(C(C=C1)=CC=C1NCC2=NC3=C(O)N=C(N)N=C3N=C2)=O)=O InChI=1/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1 Furosemide OC(C1=CC(S(N)(=O)=O)=C(Cl)C=C1NCC2=CC=CO2)=O InChI=1/C12H13ClN2O5Rn/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15,18-19H,6,14H2,(H,16,17) Hydrochlorothiazide O=S1(C2=CC(S(N)(=O)=O)=C(Cl)C=C2NCN1)=O InChI=1/C7H12ClN3O4Rn2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-15H,3,9H2 Imipramine CN(C)CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 InChI=1/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 Indomethacin COC1=CC=C2C(C(CC(O)=O)=C(C)N2C(C3=CC=C(Cl)C=C3)=O)=C1 InChI=1/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) Ketoprofen O=C(C1=CC=CC=C1)C2=CC=CC(C(C(O)=O)C)=C2 InChI=1/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1 Lidocaine CCN(CC)CC(NC1=C(C)C=CC=C1C)=O InChI=1/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) Marbofloxacin OC(C1=CN(N(C)CO2)C3=C2C(N4CCN(C)CC4)=C(F)C=C3C1=O)=O InChI=1/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25) Meclofenamic_acid ClC(C=CC(C)=C1Cl)=C1NC2=CC=CC=C2C(O)=O InChI=1/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19) Naphthoic_acid OC(C1=CC2=CC=CC=C2C=C1)=O InChI=1/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13) Probenecid OC(C1=CC=C(S(N(CCC)CCC)(=O)=O)C=C1)=O InChI=1/C13H21NO4Rn/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8,17-18H,3-4,9-10H2,1-2H3,(H,15,16) Pseudoephedrine CN[C@@H](C)[C@H](O)C1=CC=CC=C1 InChI=1/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m1/s1/ Pyrimethamine ClC(C=C1)=CC=C1C2=C(CC)N=C(N)N=C2N InChI=1/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) Salicylic_acid OC(C1=CC=CC=C1O)=O InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) Sulfamerazine NC1=CC=C(S(NC2=NC(C)=CC=N2)(=O)=O)C=C1 InChI=1/C11H14N4O2Rn/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7,16-17H,12H2,1H3,(H,13,14,15) Sulfamethizole NC1=CC=C(S(NC2=NN=C(C)S2)(=O)=O)C=C1 InChI=1/C9H12N4O2RnS/c1-6-11-12-9(17-6)13-16(14,15)8-4-2-7(10)3-5-8/h2-5,14-15H,10H2,1H3,(H,12,13) Terfenadine OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3CCN(CCCC(O)C4=CC=C(C(C)(C)C)C=C4)CC3 InChI=1/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3/t30-/m1/s1 Thiabendazole C12=CC=CC=C1NC(C3=CSC=N3)=N2 InChI=1/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) Tolbutamide CC1=CC=C(S(NC(NCCCC)=O)(=O)=O)C=C1 InChI=1/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15) Trazodone ClC1=CC=CC(N2CCN(CCCN3C(N(C=CC=C4)C4=N3)=O)CC2)=C1 InChI=1/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2