smi-ted/finetune/moleculenet/bbbp/train.csv

num,name,p_np,smiles
1,Propanolol,1,[Cl].CC(C)NCC(O)COc1cccc2ccccc12
2,Terbutylchlorambucil,1,C(=O)(OC(C)(C)C)CCCc1ccc(cc1)N(CCCl)CCCl
3,40730,1,c12c3c(N4CCN(C)CC4)c(F)cc1c(c(C(O)=O)cn2C(C)CO3)=O
4,24,1,C1CCN(CC1)Cc1cccc(c1)OCCCNC(=O)C
6,cefoperazone,1,CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(O)=O)CSc4nnnn4C)c5ccc(O)cc5)C(=O)C1=O
7,rolitetracycline,1,CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(/O)NCN5CCCC5)C1=O
8,ondansetron,1,Cn1c2CCC(Cn3ccnc3C)C(=O)c2c4ccccc14
9,diltiazem,1,COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O
10,Amiloride,1,NC(N)=NC(=O)c1nc(Cl)c(N)nc1N
11,M2L-663581,0,OCC(C)(O)c1onc(c2ncn3c2CN(C)C(c4c3cccc4Cl)=O)n1
12,alovudine,1,CC1=CN([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC1=O
14,24959,1,C1N(C(CC2CCCCC12)C(NC(C)(C)C)=O)CC(C(Cc1ccccc1)NC(C(NC(c1nc2c(cccc2)cc1)=O)CC(N)=O)=O)O
15,methadone,1,CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2
16,alfentanil,1,CCN1N=NN(CCN2CCC(CC2)(COC)N(C(=O)CC)c3ccccc3)C1=O
17,BRL53080,1,CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
18,hyoscyamine,1,CN1C2CCC1CC(C2)OC(=O)[C@H](CO)c3ccccc3
19,glyburide,1,COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)[S](=O)(=O)NC(=O)NC3CCCCC3
20,lamotrigine,1,Nc1nnc(c(N)n1)c2cccc(Cl)c2Cl
21,2-Methylpentane,1,CCCC(C)C
22,Dexamfetamine,1,C[C@H](N)Cc1ccccc1
24,nadolol,1,CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12
25,sufentanil,1,CCC(=O)N(c1ccccc1)C2(CCN(CCc3sccc3)CC2)COC
26,12,0,CCNC(=NC#N)NCCSCc1c(cccn1)Br
27,zolpidem,1,CN(C)C(=O)Cc1n2cc(C)ccc2nc1c3ccc(C)cc3
28,clozapine,1,CN1CCN(CC1)C2=C3C=CC=CC3=Nc4ccc(Cl)cc4N2
30,piperacillin,1,O.CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c4ccccc4)C(=O)C1=O
31,Pentobarbital,1,CCCC(C)C1(CC)C(=O)NC(=O)NC1=O
32,Levofloxacin,1,C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(O)=O
34,RO19-4603,1,CC(C)(C)OC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CS3)C
35,fentanyl,1,CCC(=O)N(C1CCN(CC1)CCc2ccccc2)c3ccccc3
39,2-(3'-Iodo-4'-aminophenyl)-6-hydroxybenzothiazole,1,IC1=C(N([H])[H])C=CC(C2=NC3=CC=C(O[H])C=C3S2)=C1
40,compound 34,0,O=C(C)Nc1cc(c2csc(N=C(N)N)n2)ccc1
41,granisetron,1,CN1[C@H]2CCC[C@@H]1CC(C2)NC(=O)c3nn(C)c4ccccc34
42,thiamphenicol,1,C[S](=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl
43,16,1,c1ccc(cc1)c1csc(n1)N=C(N)N
44,mexiletine,1,CC(N)COc1c(C)cccc1C
46,Nor-1-chlorpromazine,1,ClC1=CC=C(C2=C1)SC3=C(N2CCCNC)C=CC=C3
47,compound 37,1,CN(C)Cc1ccc(c2cccc(NC3C([N+]([O-])=O)=CC=N3)c2)o1
48,cefamandole,1,Cn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](O)c4ccccc4)C3=O)C(O)=O
49,Y-G 15,1,n(ccc1)c(c1)CCN(C)C
50,Org13011,1,O=C1N(CCC1)CCCCN2CCN(CC2)c3cc(C(F)(F)F)ccn3
51,Quinidine,1,COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
52,38480,1,c1(ccccc1)CC
53,17,1,c1ccc(cc1N)c1csc(n1)N=C(N)N
54,vinblastine,1,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(C)=O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1
56,Nor-2-chlorpromazine,1,ClC1=CC=C(SC(C=CC=C2)=C2N3CCCN)C3=C1
57,compound 36,1,CN(C)Cc1ccc(CSCCNC2=C([N+]([O-])=O)C(Cc3ccccc3)=CN2)o1
58,19,0,CNC(=NC#N)Nc1cccc(c1)c1csc(n1)N=C(N)N
60,15,1,O=N([O-])C1=C(CN=C1NCCSCc2ncccc2)Cc3ccccc3
62,22767,1,c1(nc(NC(N)=[NH2])sc1)CSCCNC(=[NH]C#N)NC
64,vincristine,1,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(C)=O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1
65,SB-222200,1,CCC(NC(=O)c1c(c(nc2c1cccc2)c1ccccc1)C)c1ccccc1
66,SB-656104-A,1,ClC1=CC=CC(OC2CCN(CCC3CCCN3S(C4=CC(N([H])C=C5)=C5C=C4)(=O)=O)CC2)=C1
67,compound 38,1,CN(C)Cc1ccnc(c2cccc(NC3C([N+]([O-])=O)=CC=N3)c2)c1
68,maprotiline,1,CNCCCC12CCC(c3ccccc13)c4ccccc24
69,compound 43,1,N1(Cc2cc(OCCCNc3nccs3)ccc2)CCCCC1
70,MIL-663581,0,OC(C)(C)c1onc(c2ncn3c2CN(C)C(c4c3cccc4Cl)=O)n1
71,cefotaxime,1,[Na+].CO\N=C(C(=O)N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C([O-])=O)COC(C)=O)\c3csc(N)n3
72,carbamazepine-10,1,C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N
73,Cyclohexane,1,C1CCCCC1
74,2,1,Cc1csc(n1)N=C(N)N
75,SKF89124,1,CCCN(CCc1c2c(c(cc1)O)NC(=O)C2)CCC
76,Org5222,1,Clc1cc2c(Oc3ccccc3C3CN(CC32)C)cc1
77,compound 35,0,CN(C)Cc1oc(CSCCNC2C([N+]([O-])=O)=CC=N2)cc1
80,Org4428,1,OC12c3c(Oc4c(C)cccc4C2CN(CC1)C)cccc3
82,Bretyliumtosilate,1,c12c(nc([nH]1)NC(OC)=O)cc(SCCC)cc2
83,Y-G 20,0,c1cccn2c1nc(c2)CCN
84,ornidazole,1,Cc1ncc(n1CC(O)CCl)[N+]([O-])=O
85,SKF101468,1,CCCN(CCc1c2c(ccc1)NC(=O)C2)CCC
86,Org30526,1,Clc1cc2c(Oc3ccccc3C3CNCC32)cc1
87,36,1,CN(CCC=C1c2ccccc2CCc2ccccc12)C
88,ceftriaxone,1,CO/N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)CSC3=NC(=O)C(=O)NN3C)/c4csc(N)n4
90,Org32104,1,OC12c3c(Oc4c(C)cccc4C2CNCC1)cccc3
91,compound 31,1,[O-][N+](C1=CC=NC1NCCSCc2ncccc2Br)=O
92,SB204457,1,c12c3c(C(NC(C)=O)CCc2cc(c(c1OC)OC)OC)cc(=O)c(cc3)OC
93,compound 41,1,C1CCN(CC1)Cc1cc(OCCCO)ccc1
94,clomethiazole,1,Cc1ncsc1CCCl
95,celiprolol,1,CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(C)=O
96,"""1,1,1-Trifluro-2-chloroethane""",1,ClCC(F)(F)F
97,33,1,CN1C(=O)c2c(cccc2Cl)n2cnc(c2C1)c1noc(n1)C(C)C
98,cefoxitin,1,CO[C@]1(NC(=O)Cc2sccc2)[C@H]3SCC(=C(N3C1=O)C(O)=O)COC(N)=O
99,Org34167,1,NC(CC=C)c1ccccc1c2noc3c2cccc3
100,9-OH Risperidone,1,OC1C(N2CCC1)=NC(C)=C(CCN3CCC(CC3)c4c5ccc(F)cc5on4)C2=O
101,acetaminophen,1,CC(=O)Nc1ccc(O)cc1
103,allopurinol,0,O=C1N=CN=C2NNC=C12
104,Alprostadil,0,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
105,aminophylline,0,CN1C(=O)N(C)c2nc[nH]c2C1=O.CN3C(=O)N(C)c4nc[nH]c4C3=O.NCCN
108,ampicillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O
109,androsan,0,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
110,oxaflumazine,1,OC(=O)CCC(O)=O.FC(F)(F)c1ccc2Sc3ccccc3N(CCCN4CCN(CCC5OCCCO5)CC4)c2c1
112,oxiperomide,1,O=C1Nc2ccccc2N1C3CCN(CCOc4ccccc4)CC3
113,oxycodone,1,COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
114,oxymorphone,1,CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35
115,pecazine,1,CN1CCCC(C1)CN2c3ccccc3Sc4ccccc24
116,pemoline,1,NC1=NC(=O)C(O1)c2ccccc2
117,pentazocine,1,C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C
118,Ethionamide,1,CCc1cc(ccn1)C(N)=S
119,Etoposide,0,COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](O[C@@H]4O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26
120,Famotidine,1,NC(N)=Nc1scc(CSCCC(N)=N[S](N)(=O)=O)n1
121,Fluconazole,1,OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F
122,Foscarnetsodium,1,[Na+].[Na+].[Na+].[O-]C(=O)[P]([O-])([O-])=O
123,Gabapentin,1,NCC1(CCCCC1)CC(O)=O
124,Nafcillin,0,[Na+].CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C([O-])=O
125,Nalidixicacid,0,CCN1C=C(C(O)=O)C(=O)c2ccc(C)nc12
126,Nelfinavir,0,Cc1c(O)cccc1C(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C
127,Astemizole,0,COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1
128,atropine,0,CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3
129,Auxeomycin,0,[Cl-].CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O.[H+]
131,carbenicillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)C(C(O)=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O
132,carbidopa,0,C[C@@](Cc1ccc(O)c(O)c1)(NN)C(O)=O
134,Cefazolin,0,[Na+].Cc1sc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn4cnnn4)C3=O)C([O-])=O)nn1
135,cephapirin,0,CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc3ccncc3)C2=O)C(O)=O
136,chlorambucil,0,OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl
137,pergolide,1,CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34
139,perphenazine-HCl,1,OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1
140,pethidine,1,CCOC(=O)C1(CCN(C)CC1)c2ccccc2
141,phencyclidine,1,C1CCN(CC1)C2(CCCCC2)c3ccccc3
142,phenelzine sulfate,1,NNCCc1ccccc1.O[S](O)(=O)=O
143,phenobarbital,1,CCC1(C(=O)NC(=O)NC1=O)c2ccccc2
144,phenprobamate,1,NC(=O)OCCCc1ccccc1
145,physostigmine,1,CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
146,Norepinephrine,0,NCC(O)c1ccc(O)c(O)c1
147,Omeprazole,0,COc1ccc2nc([nH]c2c1)[S](=O)Cc3ncc(C)c(OC)c3C
150,Phenoxymethylpenicillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C([O-])=O
152,chlorothiazide,0,N[S](=O)(=O)c1cc2c(NC=N[S]2(=O)=O)cc1Cl
153,chlorpropamide,0,CCCNC(=O)N[S](=O)(=O)c1ccc(Cl)cc1
155,chlorthalidone,0,N[S](=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23
156,clofibrate,0,CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
157,clofibric acid,0,CC(C)(Oc1ccc(Cl)cc1)C(O)=O
158,clotrimazole,0,Clc1ccccc1C(n2ccnc2)(c3ccccc3)c4ccccc4
159,corticosterone,0,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
160,Cortisone,0,C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@H]23
161,piflutixol,1,OCC[C@@H]1CCN(CC\C=C2/c3ccc(F)cc3Sc4ccc(cc24)C(F)(F)F)CC1
162,pimozide,1,Fc1ccc(cc1)C(CCCN2CCC(CC2)N3C(=O)Nc4ccccc34)c5ccc(F)cc5
163,pinoxepin,1,OCCN1CCN(CC\C=C/2c3ccccc3COc4ccc(Cl)cc24)CC1
165,prazepam,1,Clc1ccc2N(CC3CC3)C(=O)CN=C(c4ccccc4)c2c1
167,primidone,1,CCC1(C(=O)NCNC1=O)c2ccccc2
168,procaine,1,CCN(CC)CCOC(=O)c1ccc(N)cc1
171,Pindolol,1,CC(C)NCC(O)COc1cccc2[nH]ccc12
173,Pravastatin,0,CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
174,Praziquantel,1,O=C1CN(CC2N1CCc3ccccc23)C(=O)C4CCCCC4
175,Trimethoprim,1,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
176,Trimetrexate,0,COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
177,Trometamol,0,NC(CO)(CO)CO
178,Trovafloxacin,1,NC1[C@H]2CN(C[C@@H]12)c3nc4N(C=C(C(O)=O)C(=O)c4cc3F)c5ccc(F)cc5F
179,Urea,1,NC(N)=O
180,coumarin,0,O=C1Oc2ccccc2C=C1
181,dapsone,0,Nc1ccc(cc1)[S](=O)(=O)c2ccc(N)cc2
183,dicumarol,0,OC1=C(CC2=C(O)Oc3ccccc3C2=O)C(=O)c4ccccc4O1
184,dicyclomine,0,CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2
185,Diethylstilbestrol,0,CC\C(c1ccc(O)cc1)=C(\CC)c2ccc(O)cc2
186,Digitoxin,0,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]3[C@@H](O)C[C@@H](O[C@@H]3C)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@@H](CC[C@]67O)C8=CC(=O)OC8)C4
190,propiomazine,1,CCC(=O)c1ccc2Sc3ccccc3N(CC(C)N(C)C)c2c1
192,protriptyline,1,CNCCCC1c2ccccc2C=Cc3ccccc13
193,pyridazinone,1,O=C1C=CNN=C1
194,quazepam,1,Fc1ccccc1C2=NCC(=S)N(CC(F)(F)F)c3ccc(Cl)cc23
195,rescinnamine,1,CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)\C=C\c6cc(OC)c(OC)c(OC)c6
196,reserpine,1,CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6
197,secobarbital,1,CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O
198,spiclomazine,1,[H+].[Cl-].Clc1ccc2Sc3ccccc3N(CCCN4CCC5(CC4)NC(=O)CS5)c2c1
199,Atovaquone,0,OC1=C(C2CCC(CC2)c3ccc(Cl)cc3)C(=O)C(=O)c4ccccc14
200,Azelaicacid,0,OC(=O)CCCCCCCC(O)=O
201,Azithromycin,0,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
202,Bacitracin,0,CCC(C)C(N)C1=NC(CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCCCC[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc3[nH]cnc3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC
205,Bromocriptine,0,CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C
206,Buprenorphine,1,c12[C@]34[C@@]56[C@H]([N@@](CC7CC7)CC4)Cc2ccc(c1O[C@H]3[C@](OC)([C@H](C5)[C@](C(C)(C)C)(C)O)CC6)O
207,dopamine,0,NCCc1ccc(O)c(O)c1
208,doxorubicin,0,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
209,doxycycline,0,O.C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(=C(N)/O)/C(=O)[C@@]3(O)C(=O)C2=C(O)c4c(O)cccc14
210,Dyclonine,0,[Cl].CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2
211,Econazole,0,Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1
212,enkephalin,0,CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O
213,Ephedrine,0,CN[C@@H](C)[C@H](O)c1ccccc1
216,estradiol,0,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
217,tacrine,1,Nc1c2CCCCc2nc3ccccc13
218,temazepam,1,CN1C(=O)C(O)N=C(c2ccccc2)c3cc(Cl)ccc13
219,tetrabenzine,1,COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
220,thc,1,CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
223,thioridazine,1,CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1
224,thiothixene,1,CN1CCN(CC/C=C/2c3ccccc3Sc4ccc(cc24)[S](=O)(=O)N(C)C)CC1
225,tranylcypromine,1,[Cl-].N[C@@H]1C[C@H]1c2ccccc2.[H+]
226,trazodone,1,Clc1cccc(c1)N2CCN(CCCN3N=C4C=CC=CN4C3=O)CC2
228,Cefradine,0,CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C2=O)C(O)=O
229,Chloroquine,1,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
230,Cisapride,1,O.COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c3cc(Cl)c(N)cc3OC
231,Cladribine,1,Nc1nc(Cl)nc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO)O3
232,Clidiniumbromide,0,[Br-].C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(c3ccccc3)c4ccccc4
233,estrone,0,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O
235,ethinylestradiol,0,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C
236,fenoterol,0,CC(Cc1ccc(O)cc1)NCC(O)c2cc(O)cc(O)c2
237,floxuridine,0,OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(F)C(=O)NC2=O
238,Flucloxacillin,0,Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c4c(F)cccc4Cl
239,fluorouracil,0,FC1=CNC(=O)NC1=O
240,furosemide,0,N[S](=O)(=O)c1cc(C(O)=O)c(NCc2occc2)cc1Cl
241,ganciclovir,0,NC1=NC(=O)c2ncn(COC(CO)CO)c2N1
242,glycopyrrolate,0,[Br-].C[N+]1(C)CCC(C1)OC(=O)C(O)(C2CCCC2)c3ccccc3
246,trihexyphenidyl,1,OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3
247,trimetozine,1,COc1cc(cc(OC)c1OC)C(=O)N2CCOCC2
248,trimipramine,1,CC(CN(C)C)CN1c2ccccc2CCc3ccccc13
249,tybamate,1,CCCCNC(=O)OCC(C)(CCC)COC(N)=O
250,uridine,1,OCC1OC(C(O)C1O)N2C=CC(=O)NC2=O
251,valproicacid,1,CCCC(CCC)C(O)=O
252,zimelidine,1,CN(C)C/C=C(/c1ccc(Br)cc1)c2cccnc2
253,Clofazimine,0,CC(C)N=C1C=C2N(c3ccc(Cl)cc3)c4ccccc4N=C2C=C1Nc5ccc(Cl)cc5
254,Colchicine,0,COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(C)=O
255,Cromoglicicacid,0,OC(COc1ccc2OC(=CC(=O)c2c1)C(O)=O)COc3cccc4OC(=CC(=O)c34)C(O)=O
256,Cycloserine,1,NC1CONC1=O
258,Ipratropiumbromide,0,[Br-].CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3
259,guanabenz,0,NC(N)=N\N=C\c1c(Cl)cccc1Cl
260,guanethidinesulfate,0,NC(N)=NCCN1CCCCCCC1
261,homatropine,0,CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3
263,Hydrochlorothiazide,0,N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1Cl
265,hydroflumethiazide,0,N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1C(F)(F)F
266,ibuprofen,0,CC(C)Cc1ccc(cc1)C(C)C(O)=O
267,indomethacin,0,COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3
268,35,0,c12c(c(ccc1)Cl)C(N(Cc1n2cnc1c1nc(on1)[C@](CO)(C)O)C)=O
269,1-47,0,NCCc1cn2c(n1)cccc2
270,1-48,1,CCCN(CCC)CCc1ccc(c2c1CC(N2)=C)O
271,9-OH-risperidone,1,c1(c2c(cc(F)cc2)on1)C1CCN(CCc2c(n3c([C@@H](CCC3)O)nc2C)=O)CC1
272,Alprazolam,1,Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4n12
273,BCNU,1,ClCCNC(=O)N(CCCl)N=O
275,Kanamycin,0,NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O
276,Ketoprofen,1,CC(C(O)=O)c1cccc(c1)C(=O)c2ccccc2
277,Ketorolac,0,OC(=O)C1CCn2c1ccc2C(=O)c3ccccc3
278,Metaraminol,0,C[C@H](N)[C@H](O)c1cccc(O)c1
279,isoniazid,0,NNC(=O)c1ccncc1
280,Isoproterenol,0,CC(C)NCC(O)c1ccc(O)c(O)c1
281,Isoquercitrin,0,OC[C@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O
282,Ketoconazole,0,CC(=O)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2
283,labetalol,0,CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(N)=O
284,levodopa,0,N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O
285,mannitol,0,OCC(O)C(O)C(O)C(O)CO
286,Meclocycline,0,CN(C)C1C2C(O)C3C(=C)c4c(Cl)ccc(O)c4C(=C3C(=O)C2(O)C(=O)\C(=C(N)/O)C1=O)O
287,Meclofenamate,0,Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl
288,Mefenamic_acid,0,Cc1cccc(Nc2ccccc2C(O)=O)c1C
289,Cimetidine,0,CN=C(NCCSCc1nc[nH]c1C)NC#N
290,Clonidine,1,Clc1cccc(Cl)c1NC2=NCCN2
291,Didanosine,0,OC[C@@H]1CC[C@@H](O1)n2cnc3C(=O)N=CNc23
292,Metoprolol,1,COCCc1ccc(OCC(O)CNC(C)C)cc1
295,Minocycline,1,C1[C@@H]2[C@](C(=C3C(c4c(ccc(c4C[C@@H]13)N(C)C)O)=O)O)(C(C(C(N)=O)=C([C@H]2N(C)C)O)=O)O
296,Moclobemide,1,Clc1ccc(cc1)C(=O)NCCN2CCOCC2
297,Propanthelinebromide,0,[Br-].CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C
298,Pyrazinamide,1,NC(=O)c1cnccn1
299,Pyridostigminebromide,1,[Br-].CN(C)C(=O)Oc1ccc[n+](C)c1
300,Pyrimethamine,1,CCc1nc(N)nc(N)c1c2ccc(Cl)cc2
301,Quinine,0,COc1ccc2nccc([C@@H](O)[C@@H]3C[C@H]4CCN3C[C@@H]4C=C)c2c1
303,mepenzolatebromide,0,[Br-].C[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3
304,mepiramine,0,COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
306,mestranol,0,COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2c1
307,methantheline,0,CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc3ccccc13
309,Methyclothiazide,0,CN1C(CCl)Nc2cc(Cl)c(cc2[S]1(=O)=O)[S](N)(=O)=O
310,methyldopa,0,C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O
311,Icotidine,0,[Cl-].[Cl-].[Cl-].COc1cccnc1CCCCNC2=NC=C(Cc3ccc(C)nc3)C(=O)N2.[H+].[H+].[H+]
312,L-663581,1,CC(C)c1onc(n1)c2ncn3c2CN(C)C(=O)c4c(Cl)cccc34
313,Lupitidine,0,Cc1ccc(CC2=CN=C(NCCSCc3oc(cc3)C(C)(C)N)NC2=O)cn1
314,Mianserin,1,CN1CCN2C(C1)c3ccccc3Cc4ccccc24
315,Midazolam,1,Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12
317,Saquinavir,0,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)c4ccc5ccccc5n4
318,Sevoflurane,1,FCOC(C(F)(F)F)C(F)(F)F
319,Sodiumamidotrizoate,0,[Na+].CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C([O-])=O)c1I
320,Sotalol,1,CC(C)NCC(O)c1ccc(N[S](C)(=O)=O)cc1
322,Streptomycin,0,CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@@H](O[C@@H](C)[C@]2(O)C=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N
323,Sulfadiazine,1,Nc1ccc(cc1)[S](=O)(=O)Nc2ncccn2
324,Sulfafurazole,1,Cc1noc(N[S](=O)(=O)c2ccc(N)cc2)c1C
325,Methylprednisolone,0,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14
326,Miconazole,0,Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1
328,neodicoumarol,0,CCOC(=O)C(C1=C(O)Oc2ccccc2C1=O)C3=C(O)Oc4ccccc4C3=O
329,Nicotinyl alcohol,0,OCc1cccnc1
330,norethindrone,0,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
331,norfenefrine,0,NCC(O)c1cccc(O)c1
332,nylidrin,0,CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2
333,Oxandrolone,0,C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)OC[C@]4(C)[C@H]3CC[C@]12C
334,Oxaprozin,0,OC(=O)CCc1oc(c2ccccc2)c(n1)c3ccccc3
335,Mirtazapine,1,CN1CCN2C(C1)c3ccccc3Cc4cccnc24
336,Nevirapine,1,Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12
337,Org12962,1,C1NCCN(C1)c1ccc(c(n1)Cl)C(F)(F)F
339,Org32104,1,c1c2c(ccc1)[C@@]1([C@@H](c3cccc(c3O2)C)CNCC1)O
341,Org4428,1,c1c2c(ccc1)[C@@]1([C@@H](c3cccc(c3O2)C)C[N@](CC1)C)O
343,Ranitidine,0,CNC(/NCCSCc1oc(CN(C)C)cc1)=C\[N+]([O-])=O
344,Sulfamethoxazole,1,Cc1onc(N[S](=O)(=O)c2ccc(N)cc2)c1
345,Tamoxifen,1,CC/C(c1ccccc1)=C(c2ccccc2)/c3ccc(OCCN(C)C)cc3
346,Ticarcillin,1,[Na+].[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C([O-])=O)c3cscc3)C(=O)N2[C@H]1C([O-])=O
347,Topotecan,1,CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O
348,Zalcitabine,1,NC1=NC(=O)N(C=C1)[C@H]2CC[C@@H](CO)O2
349,Zonisamide,1,N[S](=O)(=O)Cc1noc2ccccc12
350,AmphotericinB,0,C[C@H]1O[C@@H](O[C@@H]\2C[C@@H]3O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C/C=C\C=C/C=C\C=C/C=C\C=C2)C[C@H](O)[C@H]3C(O)=O)[C@@H](O)[C@@H](N)[C@@H]1O
351,Calcium-folinate,1,[Ca++].NC1=NC(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1
352,oxytetracycline,0,O.O.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O
354,penicillin G,0,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O
355,phenacetin,0,CCOc1ccc(NC(C)=O)cc1
356,phenazopyridine,0,Nc1ccc(N=Nc2ccccc2)c(N)n1
357,pheniramine,0,CN(C)CCC(c1ccccc1)c2ccccn2
358,Phenolphthalein,0,Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4
359,phenoxybenzamine,0,CC(COc1ccccc1)N(CCCl)Cc2ccccc2
360,Phenylbutazone,0,CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
361,pirbuterol,0,CC(C)(C)NCC(O)c1ccc(O)c(CO)n1
362,Risperidone,1,CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCCC5=N1
363,Phenserine,1,CN1CC[C@]2(C)[C@H]1N(C)c3ccc(OC(=O)Nc4ccccc4)cc23
365,Tibolone,1,C[C@@H]1CC2=C(CCC(=O)C2)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@H]13
366,Ceftazidime,1,CC(C)(O/N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C([O-])=O)C[n+]3ccccc3)/c4csc(N)n4)C(O)=O
367,Flucytosine,1,NC1=C(F)C=NC(=O)N1
368,Guanadrel,0,NC(N)=NCC1COC2(CCCCC2)O1
369,Lomustine,1,ClCCN(N=O)C(=O)NC1CCCCC1
370,Mesna,0,[Na+].[O-][S](=O)(=O)CCS
372,Teniposide,1,COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](OC4OC5COC(OC5C(O)C4O)c6sccc6)c7cc8OCOc8cc27
373,Thiotepa,1,S=[P](N1CC1)(N2CC2)N3CC3
375,Polythiazide,0,CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(cc2[S]1(=O)=O)[S](N)(=O)=O
376,prednisolone,0,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
377,prednisone,0,C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
378,probenecid,0,CCCN(CCC)[S](=O)(=O)c1ccc(cc1)C(O)=O
380,propranolol,0,CC(C)NCC(O)COc1cccc2ccccc12
382,puromycin,0,COc1ccc(C[C@H](N)C(=O)NC2[C@@H](O)[C@@H](O[C@@H]2CO)n3cnc4c(ncnc34)N(C)C)cc1
383,ribavirin,0,NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
384,Tiotidine,1,CN=C(NCCSCc1csc(N=C(N)N)n1)NC#N
385,Zolantidine,1,OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.C1CCN(CC1)Cc2cccc(OCCCNc3sc4ccccc4n3)c2
386,1-hydroxymidazolam,1,OCc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12
387,111-trichloroethane,1,CC(Cl)(Cl)Cl
388,111-trifluoro-2-chloroethane,1,C(CCl)(F)(F)F
389,2-methylpropanol,1,CC(C)CO
390,"""2,2-dimethylbutane""",1,CCC(C)(C)C
391,Vidarabine,1,Nc1ncnc2n(cnc12)C3OC(CO)C(O)C3O
393,ICI17148,1,Cc1nc(sc1)\[NH]=C(\N)N
395,Thioperamide,1,S=C(NC1CCCCC1)N2CCC(CC2)c3[nH]cnc3
396,rifampin,0,CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C
397,salicylic acid,0,OC(=O)c1ccccc1O
399,Spironolactone,0,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@H]13
400,Stanozolol,0,C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5[nH]ncc5C[C@]4(C)[C@H]3CC[C@]12C
401,sulfasalazine,0,OC(=O)C1=C\C(C=CC1=O)=N/Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3
402,Terconazole,0,CC(C)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c5ccc(Cl)cc5Cl)cc2
403,testolactone,0,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC(=O)O2
404,testosterone,0,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
405,TetraCycline,0,CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O
406,3-methylhexane,1,CCCC(C)CC
407,3-methylpentane,1,CCC(C)CC
409,Aminopyrine,1,CN(C)C1=C(C)N(C)N(c2ccccc2)C1=O
410,Atenolol,0,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
411,Benzene,1,c1ccccc1
412,Bretazenil,1,CC(C)(C)OC(=O)c1ncn2c3cccc(Br)c3C(=O)N4CCC[C@H]4c12
414,Mefloquine,1,OC(C1CCCCN1)c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F
415,Ofloxacin,1,CC1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(O)=O
416,Tifluadom,1,CN1C(CNC(=O)c2cscc2)CN=C(c3ccccc3F)c4ccccc14
417,aldosterone,0,C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@]4(C[C@H](O)[C@H]23)C=O
418,BRL52537,1,c1(cc(c(cc1)Cl)Cl)CC(N1CCCC[C@H]1CN1CCCC1)=O
419,BRL52580,1,c1(cc(c(cc1)Cl)Cl)CC(N1[C@@H](c2c(CC1)cccc2)CN1CCCC1)=O
420,BRL52656,1,c1(ccc(cc1)C(F)(F)F)CC(N1[C@@H](CCCC1)CN1CCCC1)=O
421,BRL52871,1,c1(ccc(c(c1)Cl)Cl)CC(N1[C@@H](c2c(CC1)scc2)CN1CCCC1)=O
422,theophylline,0,CN1C(=O)N(C)c2nc[nH]c2C1=O
423,thioguanine,0,NC1=NC(=S)c2[nH]cnc2N1
424,tolazamide,0,Cc1ccc(cc1)[S](=O)(=O)NC(=O)NN2CCCCCC2
425,tolbutamide,0,CCCCNC(=O)N[S](=O)(=O)c1ccc(C)cc1
426,Triamcinolone,0,C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
428,Trichlormethiazide,0,N[S](=O)(=O)c1cc2c(NC(N[S]2(=O)=O)C(Cl)Cl)cc1Cl
430,verapamil,0,COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
431,warfarin,0,CC(=O)CC(c1ccccc1)C2=C(O)Oc3ccccc3C2=O
432,Butanone,1,CCC(C)=O
433,Cyclopropane,1,C1CC1
434,Desmethyldesipramine,1,N1(c2c(CCc3c1cccc3)cccc2)CCCN
435,Dichloromethane,1,ClCCl
436,Diethylether,1,CCOCC
437,Divinylether,1,C=COC=C
438,Enflurane,1,FC(F)OC(F)(F)C(F)Cl
439,BRL52974,0,c1(ccc(c(c1)Cl)Cl)CC(N1[C@@H](c2c(CC1)[nH]cn2)CN1CCCC1)=O
440,BRL53087,1,c1(ccc(c(c1)Cl)Cl)CC(N1[C@@H](CN2CCCC2)CC(CC1)(C)C)=O
441,carebastine,0,CC(C)(C(O)=O)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4
443,ciprofloxacin,0,OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O
444,cp102,0,c1cn(CCO)c(CC)c(O)c1=O
446,yohimbine,0,COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
449,acetophenazine,1,CC(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(CCO)CC4)c2c1
450,acetozalamide,1,CC(=O)Nc1sc(nn1)[S](N)(=O)=O
452,amantadine,1,[Cl-].NC12CC3CC(CC(C3)C1)C2.[H+]
453,amitriptyline,1,CN(C)CCC=C1c2ccccc2CCc3ccccc13
454,amobarbital,1,CCC1(CCC(C)C)C(=O)NC(=O)NC1=O
455,amphetamine,1,CC(N)Cc1ccccc1
456,Ethanol,1,CCO
457,Ethylbenzene,1,CCc1ccccc1
458,Flumazenil,1,CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23
459,Flunitrazepam,1,CN1C(=O)CN=C(c2ccccc2F)c3cc(ccc13)[N+]([O-])=O
460,Fluroxene,1,FC(F)(F)COC=C
461,Halothane,1,FC(F)(F)C(Cl)Br
462,Heptane,1,CCCCCCC
463,Hexane,1,CCCCCC
464,cp20,1,CN1C=CC(=O)C(=C1C)O
465,cp21,1,CCN1C=CC(=O)C(=C1C)O
466,cp24,1,CCCCN1C=CC(=O)C(=C1C)O
467,cp25,1,CCCCCN1C=CC(=O)C(=C1C)O
468,cp29,1,c1cn(CCCCC)c(C)c(O)c1=O
469,cp41,0,c1cn(CCCO)c(C)c(O)c1=O
470,cp94,1,CCN1C=CC(=O)C(=C1CC)O
473,apomorphine,1,CN1CCc2cccc3c2[C@H]1Cc4ccc(O)c(O)c34
474,arecoline,1,COC(=O)C1=CCCN(C)C1
475,azaperone,1,Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3
476,benactyzine,1,[H+].[Cl-].CCN(CC)CCOC(=O)C(O)(c1ccccc1)c2ccccc2
477,benperidol,1,Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)N3C(=O)Nc4ccccc34
478,benzocaine,1,CCOC(=O)c1ccc(N)cc1
479,benzquinamide,1,CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1OC(C)=O
480,benztropine,1,CN1C2CCC1CC(C2)OC(c3ccccc3)c4ccccc4.O[S](O)(=O)=O
481,biperiden,1,OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4
483,Indinavir,1,CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)Cc5cccnc5
484,Isoflurane,1,FC(F)OC(Cl)C(F)(F)F
485,Methohexital,1,CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O
486,Methoxyflurane,1,COC(F)(F)C(Cl)Cl
489,Nor-2-chlorpromazine,1,N1(c2c(Sc3c1cccc3)ccc(c2)Cl)CCCN
490,doxylamine,1,CN(C)CCOC(C)(c1ccccc1)c2ccccn2
494,GR85571,1,c1(cc(c(cc1)Cl)Cl)CC(N1[C@@H](CN2CCCC2)CN(CC1)C(=O)C)=O
496,GR89696,1,c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](CN(CC1)C(=O)OC)CN1CCCC1)=O
499,bufotenine,1,CN(C)CCc1c[nH]c2ccc(O)cc12
500,bupropion,1,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
501,buramate,1,OCCOC(=O)NCc1ccccc1
502,butabarbital,1,CCC(C)C1(CC)C(=O)NC(=O)NC1=O
504,cannabidiol,1,CCCCCc1cc(O)c(C2C=C(C)CC[C@H]2C(C)=C)c(O)c1
506,carbamazepine,1,NC(=O)N1c2ccccc2C=Cc3ccccc13
507,Northioridazine,1,CSc1ccc2Sc3ccccc3N(CCC4CCCNC4)c2c1
508,Org13011,1,C1N(CCN(C1)c1cc(ccn1)C(F)(F)F)CCCCN1C(CCC1)=O
509,Paraxanthine,1,Cn1cnc2NC(=O)N(C)C(=O)c12
510,Pentane,1,CCCCC
511,Propanol,1,CCCO
514,GR89696_pr,1,c1(CC(N2[C@H](CN(CC2)C(=O)OCCC)CN2CCCC2)=O)cc(c(cc1)Cl)Cl
523,carphenazine,1,CCC(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(CCO)CC4)c2c1
524,cartazolate,1,CCCCNc1c(cnc2n(CC)ncc12)C(=O)OCC
525,centazolone,1,NN1C=Nc2cc3ccccc3cc2C1=O
528,chlorpromazine,1,CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13
529,chlorprothixene,1,CN(C)CC\C=C/1c2ccccc2Sc3ccc(Cl)cc13
530,chlorzoxazone,1,Clc1ccc2OC(=O)Nc2c1
533,RO19-4603,1,CN1Cc2n(cnc2C(=O)OC(C)(C)C)c3ccsc3C1=O
534,SKF101468,1,C1C(Nc2c1c(ccc2)CCN(CCC)CCC)=O
535,SKF89124,1,C1C(Nc2c1c(ccc2O)CCN(CCC)CCC)=O
537,Sulforidazine,1,CN1CCCCC1CCN2c3ccccc3Sc4ccc(cc24)[S](C)(=O)=O
538,Teflurane,1,FC(Br)C(F)(F)F
539,Theobromine,1,Cn1cnc2N(C)C(=O)NC(=O)c12
540,Thiopental,0,CCCC(C)C1(CC)C(=O)NC(=S)NC1=O
541,Toluene,1,Cc1ccccc1
546,GR94839_L,0,c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](O)C2)=O)ccc(S(=O)(=O)C)cc1
547,ICI197067,1,CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2
548,ICI199441,1,c1(ccccc1)[C@H](CN1CCCC1)N(C(=O)Cc1ccc(c(c1)Cl)Cl)C
551,lomefloxacin,0,CCN1C=C(C(O)=O)C(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12
552,loperamide,0,CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4
553,clomipramine,1,CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13
554,clonazepam,1,[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1
555,clopenthixol,1,OCCN1CCN(CC\C=C/2c3ccccc3Sc4ccc(Cl)cc24)CC1
556,clopimozide,1,Fc1ccc(cc1)C(CCCN2CCC(CC2)N3C(=O)Nc4cc(Cl)ccc34)c5ccc(F)cc5
557,cocaine,1,COC(=O)[C@H]1[C@H](CC2CCC1N2C)OC(=O)c3ccccc3
558,codeine,1,COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C
559,cyclazocine,1,CC1C2Cc3ccc(O)cc3C1(C)CCN2CC4CC4
560,cyclophenazine,1,FC(F)(F)c1ccc2Sc3ccccc3N(CCCN4CCN(CC4)C5CC5)c2c1
561,deanol,1,CN(C)CCO
562,demerol,1,[H+].[Cl-].CCOC(=O)C1(CCN(C)CC1)c2ccccc2
563,Trichloroethylene,1,ClC=C(Cl)Cl
564,Trichloromethane,1,ClC(Cl)Cl
565,Y-G14,1,c1c(nccc1)CCNC
566,Y-G15,1,c1c(nccc1)CCN(C)C
567,Y-G16,1,n1c(scc1)CCN
568,Y-G19,0,n1c(scc1c1ccccc1)CCN
569,Y-G20,0,c1c(nc2n1cccc2)CCN
570,m-Xylene,1,Cc1cccc(C)c1
571,loratadine,0,CCOC(=O)N1CCC(CC1)=C2c3ccc(Cl)cc3CCc4cccnc24
572,meloxicam,0,CN1C(=C(/O)Nc2sc(C)cn2)/C(=O)c3ccccc3[S]1(=O)=O
573,Nalorphine,1,O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45
576,pefloxacin,0,CCN1C=C(C(O)=O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3
577,piroxicam,0,CN1C(=C(/O)Nc2ccccn2)/C(=O)c3ccccc3[S]1(=O)=O
578,roxindole,1,C[S](O)(=O)=O.Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c4ccccc4)c2c1
579,deserpidine,1,CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6
580,desipramine,1,CNCCCN1c2ccccc2CCc3ccccc13
581,diazepam,1,CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13
582,dihydrocodeine,1,COc1ccc2C[C@@H]3[C@@H]4CC[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C
583,dihydromorphine,1,CN1CCC23C4CCC(O)C2Oc5c(O)ccc(CC14)c35
584,diphenhydramine,1,CN(C)CCOC(c1ccccc1)c2ccccc2
586,dixyrazine,1,CC(CN1CCN(CCOCCO)CC1)CN2c3ccccc3Sc4ccccc24
587,DMT,1,COC(=O)c1ccc(cc1)C(=O)OC
588,o-Xylene,1,Cc1ccccc1C
589,p-Xylene,1,Cc1ccc(C)cc1
590,2-propanol,1,CC(C)O
591,Carbamazepineepoxide,1,NC(=O)N1c2ccccc2C3OC3c4ccccc14
592,SB-222200,1,c12c(nc(c(c1C(N[C@@H](CC)c1ccccc1)=O)C)c1ccccc1)cccc2
593,Tertbutylchlorambucil,1,c1cc(ccc1CCCC(OC(C)(C)C)=O)N(CCCl)CCCl
594,Delavirdine,0,CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3[nH]c4ccc(N[S](C)(=O)=O)cc4c3
596,Pirenzepine,1,CN1CCN(CC1)CC(=O)N2c3ccccc3C(=O)Nc4cccnc24
597,RP60180,1,c1ccc2N([C@H](CN3CCCC3)C)c3c(ccc(C(=O)NCCC)c3)Sc2c1
598,rufloxacin,0,CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN4CCSc2c34)C(O)=O
600,Sankyo,1,c1(ccc(c(c1)Cl)Cl)CC(=O)N1[C@H](C[N@@](C)CC1)CN1CCCC1
601,SB201708,1,c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](CN2CCCC2)c2n(CC1)ccn2)=O
602,SB204454,0,c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](C[C@]2(CC1)NC(NC2=O)=O)CN1CCCC1)=O
606,doxepin,1,[H+].[Cl-].CN(C)CC\C=C/1c2ccccc2COc3ccccc13
608,droperidol,1,Fc1ccc(cc1)C(=O)CCCN2CCC(=CC2)N3C(=O)Nc4ccccc34
609,ectylurea,1,CC\C(=C/C)C(=O)NC(N)=O
610,emylcamate,1,CCC(C)(CC)OC(N)=O
611,estazolam,1,Clc1ccc2n3cnnc3CN=C(c4ccccc4)c2c1
612,etaqualone,1,CCc1ccccc1N2C(=Nc3ccccc3C2=O)C
613,etazolate,1,CCOC(=O)c1cnc2n(CC)ncc2c1NN=C(C)C
614,ethchlorvynol,1,CCC(O)(\C=C\Cl)C#C
616,5-6,1,s1cc(CSCCN\C(NC)=[NH]\C#N)nc1\[NH]=C(\N)N
617,5-66,1,c1cc(CCNC)ncc1
618,5-67,1,c1cc(CCN(C)C)ncc1
619,5-68,1,s1c(ncc1)CCN
621,7-K06,1,c1ccc2Oc3c(cc(cc3)Cl)[C@@H]3[C@@H](c2c1)C[N@](CC3)C
623,7-K10,1,c1ccc2Oc3c(cc(cc3)Cl)[C@@H]3[C@@H](c2c1)CNCC3
624,SB205605,0,c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](C[N@@]2C[C@@H](CC2)O)c2c(CC1)[nH]cn2)=O
625,skb_a,1,c1ccc2nc(c(c(C(N[C@@H](CC)c3ccccc3)=O)c2c1)O)c1ccccc1
626,skb_c,1,c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(nc2cc1)c1ccccc1)OCCCN(C)C
627,skb-d,0,c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(nc2cc1)c1ccccc1)OCC(O)=O
628,skb-e,0,c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
629,skb-f,0,c1ccc2c(c(C(N[C@@H](CC)c3ccccc3)=O)c(OCCNC(Cc3c(cccc3)C(=O)O)=O)c(c3ccccc3)n2)c1
631,skb-h,0,c1cc2c(c(c(c3ccccc3)nc2cc1)OCCNC([C@@H]1CCCN1)=O)C(=O)N[C@@H](CC)c1ccccc1
633,sparfloxacin,0,C[C@H]1CN(C[C@@H](C)N1)c2c(F)c(N)c3C(=O)C(=CN(C4CC4)c3c2F)C(O)=O
635,etymemazine,1,CCc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1
637,fluphenazine,1,OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1
638,flurazepam,1,CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13
640,glutethimide,1,CCC1(CCC(=O)NC1=O)c2ccccc2
641,haloperidol,1,OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3
642,harmalol,1,CC1=C2NC3=CC(=O)C=CC3=C2C=CN1
652,22,1,c1(c(oc(c1C)C(N(C(C)(N)C)C(N)(C)C)(C)C)C)C.C[NH+]O.[OH-]
653,23,1,[NH]C(CC(C)C([N@@](C(C)(C)C)C(N)(C)N)(C)C)c1c(c(c[nH+][o+]1)C)[O-]
655,tenoxicam,0,CN1C(=C(\O)Nc2ccccn2)/C(=O)c3sccc3[S]1(=O)=O
657,U50488,1,CN(C1CCCC[C@H]1N2CCCC2)C(=O)Cc3ccc(Cl)c(Cl)c3
658,heroin,1,CN1CC[C@]23[C@H]4Oc5c(OC(C)=O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC(C)=O)c35
659,hexapropymate,1,NC(=O)OC1(CCCCC1)CC#C
660,homophenazine,1,[H+].[H+].[Cl-].[Cl-].OCCN1CCCN(CCCN2c3ccccc3Sc4cc(ccc24)C(F)(F)F)CC1
661,hydrocodone,1,COc1ccc2C[C@@H]3[C@@H]4CCC(=O)[C@@H]5Oc1c2[C@]45CCN3C
662,hydroxyphenamate,1,CCC(O)(COC(N)=O)c1ccccc1
663,hydroxyzine,1,OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3
665,ketamine,1,CNC1(CCCCC1=O)c2ccccc2Cl
666,kynurenic acid,1,OC(=O)C1=CC(=O)c2ccccc2N1
667,24,1,C1CN(CCC1)Cc1cccc(c1)OCCCNC(=O)C
668,25,1,C1CN(CCC1)Cc1cccc(c1)OCCCNC(=O)c1ccccc1
669,26,1,C1CN(CCC1)Cc1cccc(c1)OCCCO
670,27,1,C1CN(CCC1)Cc1cccc(c1)OCCCNc1ncccc1
672,30,1,C1CN(CCC1)Cc1cccc(c1)OCCCNc1nc2c(o1)cccc2
673,4,0,c1c(oc(c1)CN(C)C)CSCCNc1nc(c(c[nH]1)Cc1cc2c(cc1)cccc2)=O
674,8-5,0,CN(C)Cc1oc(cc1)CSCCNC=1NC=C(CN1)Cc1cnc(cc1)C
676,9-C1,1,n1(c(c2nc[nH]c2n(c1=O)C)=O)C
678,levorphanol,1,CN1CC[C@]23CCCC[C@H]2[C@H]1Cc4ccc(O)cc34
679,lidocaine,1,CCN(CC)CC(=O)Nc1c(C)cccc1C
680,lorazepam,1,OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O
681,lorcainide,1,CC(C)N1CCC(CC1)N(C(=O)Cc2ccccc2)c3ccc(Cl)cc3
682,meclofenoxate,1,CN(C)CCOC(=O)COc1ccc(Cl)cc1
684,medazepam,1,CN1CCN=C(c2ccccc2)c3cc(Cl)ccc13
685,meprobamate,1,CCCC(C)(COC(N)=O)COC(N)=O
687,9-C17,1,c1(cc(N\C(=[NH]\c2cccc(c2)CC)C)ccc1)CC
688,9-C7,1,c1(c(cc2n(ncc2c1)CCN)Cl)Cl
689,Abacavir,1,Nc1nc(NC2CC2)c3ncn([C@@H]4C[C@H](CO)C=C4)c3n1
690,Acebutolol,1,CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O
692,Albendazole,1,CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
693,Amifostine,0,NCCCNCCS[P](O)(O)=O
695,mesoridazine,1,CN1CCCCC1CCN2c3ccccc3Sc4ccc(cc24)[S](C)=O
696,methamphetamine,1,CN[C@@H](C)Cc1ccccc1
697,methaqualone,1,Cc1ccccc1N2C(=Nc3ccccc3C2=O)C
700,methotrimeprazine,1,COc1ccc2Sc3ccccc3N(C[C@H](C)CN(C)C)c2c1
701,methylpentynol,1,CCC(C)(O)C#C
702,methylphenidate,1,COC(=O)C(C1CCCCN1)c2ccccc2
704,Amikacin,1,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O
705,Aminosalicylicacid,0,Nc1ccc(C(O)=O)c(O)c1
706,Cytarabine,1,NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O
707,Dacarbazine,1,CN(C)N\N=C/1N=CN=C1C(N)=O
708,Daunorubicin,0,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
712,Dexrazoxane,0,C[C@@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2
713,midazolam maleate,1,Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12.OC(=O)\C=C/C(O)=O
714,moperone,1,Cc1ccc(cc1)C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2
715,morphine,1,CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=CC4O)c35
716,MPTP,1,CN1CCC(=CC1)c2ccccc2
717,naloxone,1,Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O)CC=C
718,nicotine,1,CN1CCC[C@H]1c2cccnc2
719,nitrazepam,1,[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1
720,nordazepam,1,Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1
721,nortriptyline,1,CNCCC=C1c2ccccc2CCc3ccccc13
724,Dihydroergotamine,0,CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O
725,Disulfiram,1,CCN(CC)C(=S)SSC(=S)N(CC)CC
726,Efavirenz,0,FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC3CC3
727,Enalapril,0,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2CCC[C@H]2C(O)=O
728,Ethambutol,0,CC[C@@H](CO)NCCN[C@@H](CC)CO
729,aclarubicin,0,CC[C@@]1(O)C[C@H](OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5[C@H]1C(=O)OC
730,adicillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)CCC[C@@H](N)C(O)=O)C(=O)N2[C@H]1C(O)=O
731,adrenaline,0,CNCC(O)c1ccc(O)c(O)c1
732,adriamycinol-aglycone,0,COc1cccc2C(=O)c3c(O)c4CC(O)(CC(O)c4c(O)c3C(=O)c12)C(=O)CO
733,almecillin,0,[Na+].CC1(C)SC2C(NC(=O)CSCC=C)C(=O)N2C1C([O-])=O
734,amantocillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)C34C[C@H]5C[C@H](CC(N)(C5)C3)C4)C(=O)N2[C@H]1C(O)=O
735,amdinocillinpivoxil,0,CC(C)(C)C(=O)OCOC(=O)C1N2[C@H](SC1(C)C)[C@H](N=CN3CCCCCC3)C2=O
736,amicycline,0,CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4ccc(N)c(O)c4C(=C3C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O)O
737,amrubicin,0,[Cl-].CC(=O)[C@@]1(N)C[C@H](O[C@H]2C[C@H](O)[C@H](O)CO2)c3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c3C1.[H+]
738,apalcillin,0,CC1(C)S[C@@H]2C(NC(=O)[C@H](NC(=O)C3=CNc4cccnc4C3=O)c5ccccc5)C(=O)N2[C@H]1C(O)=O
742,aspoxicillin,0,CNC(=O)C[C@@H](N)C(=O)N[C@@H](C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)c3ccc(O)cc3
743,astromicin,0,CO[C@H]1[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@@H](CC[C@H]2N)C(C)N)[C@H](O)[C@@H]1N(C)C(=O)CN
744,aztreonam,0,C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc([NH3+])n2)C(=O)N1[S]([O-])(=O)=O
746,bekanamycin,0,NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O
747,benserazide,0,NC(CO)C(=O)NNCc1ccc(O)c(O)c1O
750,butikacin,0,NCCC(O)CNC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC3OC(CO)C(O)C(N)C3O
751,carbuterol,0,CC(C)(C)NCC(O)c1ccc(O)c(NC(N)=O)c1
752,carfecillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccccc3)c4ccccc4)C(=O)N2[C@H]1C(O)=O
753,carindacillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4CCCc4c3)c5ccccc5)C(=O)N2[C@H]1C(O)=O
754,carubicin,0,CC1OC(CC(N)C1O)OC2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(O)c5C(=O)c4c(O)c23)C(C)=O
755,carumonam,0,NC(=O)OCC1[C@H](NC(=O)C(=N/OCC(O)=O)\c2csc(N)n2)C(=O)N1[S](O)(=O)=O
756,cefaclor,0,N[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)Cl)c3ccccc3
757,cefadroxil,0,CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C2=O)C(O)=O
758,cefalexin,0,CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(O)=O
760,cefaparole,0,Cc1sc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(N)c4ccc(O)cc4)C3=O)C(O)=O)nn1
762,cefazaflur,0,[Na+].Cn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)CSC(F)(F)F)C3=O)C([O-])=O
765,cefcanel-daloxate,0,CC(N)C(=O)OC(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)OCC3=C(C)OC(=O)O3)CSc4sc(C)nn4)c5ccccc5
766,cefcapene,0,CC/C=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)COC(N)=O)/c3csc(N)n3
767,cefdaloxime,0,COCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(=N\O)/c3csc(N)n3)C2=O)C(O)=O
768,cefdinir,0,Nc1scc(n1)\C(=N\O)C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(O)=O)C=C
769,cefditoren,0,CO\N=C(C(=O)NC1[C@H]2SCC(=C(N2C1=O)C(O)=O)\C=C/c3scnc3C)\c4csc(N)n4
770,cefedrolor,0,CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccc(O)c(Cl)c3)C2=O)C(O)=O
771,cefetamet,0,CO/N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)C)/c3csc(N)n3
773,cefivitril,0,Cn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)CS\C=C/C#N)C3=O)C(O)=O
774,cefixime,0,Nc1scc(n1)\C(=N\OCC(O)=O)C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(O)=O)C=C
778,cefodizime,0,CO\N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)CSc3sc(CC(O)=O)c(C)n3)/c4csc(N)n4
779,cefonicid,0,OC(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)CSc3nnnn3C[S](O)(=O)=O)c4ccccc4
781,cefotetan,0,CO[C@]1(NC(=O)C2S\C(S2)=C(\C(N)=O)C(O)=O)[C@H]3SCC(=C(N3C1=O)C(O)=O)CSc4nnnn4C
783,cefoxazole,0,CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)c3c(C)onc3c4ccccc4Cl)C2=O)C(O)=O
784,cefpiramide,0,Cn1nnnc1SCC2=C(N3[C@H](SC2)C(NC(=O)[C@H](NC(=O)C4=CNC(=CC4=O)C)c5ccc(O)cc5)C3=O)C(O)=O
785,cefpodoxime,0,[Na+].COCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(=N/OC)\c3csc(N)n3)C2=O)C([O-])=O
786,cefprozil,0,O.C/C=C/C1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C2=O)C(O)=O
788,cefroxadine,0,COC1=C(N3C(SC1)C(NC(=O)C(N)C2C=CCC=C2)C3=O)C(O)=O
789,cefsumide,0,CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3cccc(N[S](C)(=O)=O)c3)C2=O)C(O)=O
791,ceftezole,0,OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cn3cnnn3)C(=O)N12)CSc4scnn4
792,ceftibuten,0,O.O.Nc1scc(n1)\C(=C\CC(O)=O)C(=O)N[C@H]2[C@H]3SCC=C(N3C2=O)C(O)=O
793,ceftiofur,0,CO/N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)CSC(=O)c3occc3)/c4csc(N)n4
794,ceftiolene,0,CO/N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)\C=C\SC3=NNC(=O)C(=O)N3CC=O)/c4csc(N)n4
795,ceftioxide,0,CO/N=C(C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(COC(C)=O)C[S]2=O)C(O)=O)/c3csc(N)n3
796,ceftizoxime,0,CO/N=C(C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(O)=O)/c3csc(N)n3
797,cefuracetime,0,CO/N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)COC(C)=O)/c3occc3
798,cefuroxime-axetil,0,CO/N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)OC(C)OC(C)=O)COC(N)=O)/c3occc3
799,cefuroxime-pivoxetil,0,COCCCC(=O)OC(C)OC(=O)C1=C(COC(N)=O)CS[C@@H]2[C@H](NC(=O)C(=N/OC)\c3occc3)C(=O)N12
800,cefuzonam,0,CO/N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)CSc3snnc3)/c4csc(N)n4
801,cephacetrile,0,[Na+].CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)CC#N)C2=O)C([O-])=O
802,cephaloglycin,0,O.O.CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(O)=O
803,cephalosporin-c,0,CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CCC[C@@H](N)C(O)=O)C2=O)C(O)=O
809,clometocillin,0,COC(C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)c3ccc(Cl)c(Cl)c3
810,clomocycline,0,CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(/O)NCO)C1=O
811,cyclacillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(O)=O
812,cyclosporina,0,CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
813,dactinomycin,0,CC(C)C1NC(=O)C(NC(=O)c2ccc(C)c3OC4=C(C)C(=O)C(=C(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)C4=Nc23)N)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O
814,demecycline,0,CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4cccc(O)c4C(=C3C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O)O
816,dibekacin,0,NCC1CCC(N)C(O1)OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O
819,diosmin,0,COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2
822,dipyridamole,0,OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO
823,dirithromycin,0,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]4N[C@@H](COCCOC)O[C@H]([C@H]4C)[C@]1(C)O
825,efrotomycin,0,CCC(C(=O)NC\C=C\C=C(/C)C(OC)C(C)C1OC(\C=C\C=C\C=C(/C)C(=O)C2=C(O)N(C)C=CC2=O)C(O)C1O)C3(O)OC(\C=C\C=C\C)C(C)(C)C(OC4OC(C)C(OC5OC(C)C(OC)C(O)C5OC)C(OC)C4O)C3O
826,emetine,0,[Cl].CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45
827,epicillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C(=O)N2[C@H]1C(O)=O
828,eqvalan,0,CCC(C)[C@H]1O[C@]2(CC[C@@H]1C)CC3C[C@@H](C\C=C(C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](OC5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C/6CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2.CO[C@H]8CC(O[C@@H](C)[C@@H]8O)O[C@H]9[C@H](C)O[C@H](C[C@@H]9OC)O[C@H]/%10[C@@H](C)/C=C/C=C/%11CO[C@@H]%12[C@H](O)C(=C[C@@H](C(=O)OC%13C[C@@H](C\C=C%10C)O[C@@]%14(CC[C@H](C)[C@H](O%14)C(C)C)C%13)[C@]%11%12O)C
829,esorubicin,0,COc1cccc2C(=O)c3c(O)c4C[C@@](O)(C[C@@H](OC5CC(N)CC(C)O5)c4c(O)c3C(=O)c12)C(=O)CO
830,etamocycline,0,CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(/O)NCN(C)CCN(C)CNC(/O)=C/5C(=O)[C@H]([C@@H]6C[C@H]7C(=C(O)c8c(O)cccc8[C@@]7(C)O)C(=O)[C@]6(O)C5=O)N(C)C)C1=O
833,fenbenicillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)C(Oc3ccccc3)c4ccccc4)C(=O)N2[C@H]1C(O)=O
834,fenoxazoline,0,CC(C)c1ccccc1OCC2=NCCN2
835,fexofenadine,0,CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4
836,fibracillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c4ccccc4)C(=O)N2[C@H]1C(O)=O
838,flurithromycin,0,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@](C)(F)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
839,fropenem,0,C[C@@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C(O)=O)[C@H]3CCCO3
840,fumoxicillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N=Cc3occc3)c4ccc(O)cc4)C(=O)N2[C@H]1C(O)=O
841,furbucillin,0,CC(C)CC(OC(=O)c1occc1)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O
843,gentamicin,0,CNC(C)C1CCC(N)C(O1)OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O
844,gloximonam,0,CO/N=C(C(=O)N[C@H]1[C@H](C)N(OCC(=O)OCC(=O)OC(C)(C)C)C1=O)/c2csc(N)n2
846,grepafloxacin,0,CC1CN(CCN1)c2cc3N(C=C(C(O)=O)C(=O)c3c(C)c2F)C4CC4
848,hetacillin,0,CC1(C)N[C@@H](C(=O)N1[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c4ccccc4
849,hydroxyamphetamine,0,CC(Cc1ccccc1)NO
850,hydroxyephedrine,0,CNC(C)C(O)c1ccc(O)cc1
851,hymecromone,0,CC1=CC(=O)Oc2cc(O)ccc12
852,idarubicin,0,C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(C)=O
856,josamycin,0,CO[C@H]1[C@@H](CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)OC(C)=O
857,lenampicillin,0,CC1=C(COC(=O)[C@@H]2N3[C@H](SC2(C)C)[C@H](NC(=O)[C@H](N)c4ccccc4)C3=O)OC(=O)O1
858,lenapenem,0,CNCC[C@@H](O)[C@@H]1C[C@@H](CN1)SC2=C(N3[C@H]([C@H]2C)[C@@H]([C@@H](C)O)C3=O)C(O)=O
859,leurubicin,0,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)[C@@H](N)CC(C)C)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
861,lincomycin,0,CCCC1CC(N(C)C1)C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O
863,losartan,0,CCCCc1nc(Cl)c(CO)n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4
864,lymecycline,0,[Cl-].CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)\O)C1=O.[H+]
865,mecillinam,0,CC1(C)S[C@@H]2[C@H](N=CN3CCCCCC3)C(=O)N2[C@H]1C(O)=O
866,mecloxamine,0,CC(CN(C)C)OC(C)(c1ccccc1)c2ccc(Cl)cc2
867,medorubicin,0,CC1OC(CC(N)C1O)OC2CC(O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)CO
869,metampicillin,0,CC1(C)SC2C(NC(=O)C(N=C)c3ccccc3)C(=O)N2C1C(O)=O
870,methacycline,0,CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4cccc(O)c4C(=C3C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O)O
871,methoxyphedrine,0,CNC(C)C(=O)c1ccc(OC)cc1
872,meticillin,0,COc1cccc(OC)c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O
875,midecamycin,0,CCC(=O)OC1CC(=O)OC(C)C\C=C\C=C/C(O)C(C)CC(CC=O)C(O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@H](OC(=O)CC)[C@@H](C)O3)[C@@H]([C@H]2O)N(C)C)C1OC
878,mitomycin,0,CO[C@@]12[C@H](COC(N)=O)C3=C(N1C[C@@H]4N[C@H]24)C(=O)C(=C(N)C3=O)C
879,moxalactam,0,CO[C@]1(NC(=O)C(C(O)=O)c2ccc(O)cc2)[C@H]3OCC(=C(N3C1=O)C(O)=O)CSc4nnnn4C
880,neamine,0,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
881,netilmicin,0,CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(=CC[C@H]2N)CN)[C@H](O)[C@H]1O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O
884,nitrendipine,0,CCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OC)C
887,oleandomycin,0,COC1CC(OC(C)C1O)O[C@H]2[C@H](C)[C@@H](OC3OC(C)CC(C3O)N(C)C)[C@@H](C)C[C@]4(CO4)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C
888,oxetacillin,0,CC1(C)NC(C(=O)[NH+]1[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c4ccc(O)cc4
889,oximonam,0,CO\N=C(C(=O)NC1[C@H](C)N(OCC(O)=O)C1=O)\c2csc(N)n2
890,paclitaxel,0,CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
895,phenethicillin,0,CC(Oc1ccccc1)C(=O)NC2C3SC(C)(C)C(N3C2=O)C(O)=O
896,pipacycline,0,CN(C)C1C2CC3C(=C(O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=O)\C(=C(/O)NCN5CCN(CCO)CC5)C1=O
898,pirbenicillin,0,CC1(C)SC2C(N([C@H](C(=O)NC(=O)CN)c3ccccc3)C(=N)c4ccncc4)C(=O)N2C1C(O)=O
899,piridicillin,0,[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)C3=CC=C(NC3=O)c4ccc(cc4)[S](=O)(=O)N(CCO)CCO)c5ccc(O)cc5)C(=O)N2[C@H]1C([O-])=O
901,pivampicillin,0,CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O
902,pivenfrine,0,CNCC(O)c1cccc(OC(=O)C(C)(C)C)c1
903,prazocillin,0,Cc1cnn(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c4c(Cl)cccc4Cl
904,pristinamycin-ic,0,CC1OC(=O)C(NC(=O)C2CC(=O)CCN2C(=O)C(Cc3ccc(cc3)N(C)C)N(C)C(=O)C4CCCN4C(=O)C(C)NC(=O)C1NC(=O)c5ncccc5O)c6ccccc6
907,propikacin,0,NCC1OC(OC2C(N)CC(NC(CO)CO)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O
908,quinacillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)c3nc4ccccc4nc3C(O)=O)C(=O)N2[C@H]1C(O)=O
909,rifabutin,0,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C5NC6(CCN(CC6)CC(C)C)N=C5c4c3C2=O)NC(=O)C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)/C
910,rifametane,0,CCN(CC)C(C)=NN=Cc1c(O)c2c3C(=O)C4(C)OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)Nc1c(O)c2c(O)c(C)c3O4
911,rifamexil,0,CCN(CC)c1sc2c3NC(=O)C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@]4(C)Oc5c(C)c(O)c(c3O)c(c2n1)c5C4=O)/C
912,rifamide,0,CCN(CC)C(=O)COc1cc2NC(=O)C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@]3(C)Oc4c(C)c(O)c(c2O)c1c4C3=O)/C
913,rifampin,0,COC1C=COC5(C)Oc4c(C)c(O)c3c(O)c(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C)c(C=NN2CCN(C)CC2)c(O)c3c4C5=O
914,rifamycin,0,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)/C)cc(O)c4c3C2=O
915,rifapentine,0,CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=C(NC(=O)C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)\C)C(=C/NN5CCN(CC5)C6CCCC6)\C(=O)c4c3C2=O)O
916,rifaximin,0,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)/C)c5n6ccc(C)cc6nc5c4c3C2=O
917,ritipenem,0,[Na+].C[C@@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C([O-])=O)COC(N)=O
918,rodorubicin,0,CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@@H]4O[C@H]5CC(=O)[C@H](C)O[C@H]5O[C@@H]4[C@H](C)O3)[C@H](C)O2)N(C)C)c6c(O)c7C(=O)c8c(O)cccc8C(=O)c7c(O)c6[C@H]1O[C@H]9C[C@@H]([C@H](O)[C@H](C)O9)N(C)C
919,rotamicillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)Cc3ccc(cc3)C4=NCCCN4)c5ccccc5)C(=O)N2[C@H]1C(O)=O
920,roxithromycin,0,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)\C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O
923,sarpicillin,0,COCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3C(=O)C(NC3(C)C)c4ccccc4)C2=O
924,sedecamycin,0,CC1C2CC(OC(C)=O)\C=C\C(=C\CC(O)/C=C/C(=C/C(NC(=O)C(C)=O)C(C)(C(=O)O2)C1=O)C)C
925,sisomicin,0,CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3OC(=CC[C@H]3N)CN)[C@@H]2O
927,sulbenicillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)C(c3ccccc3)[S](O)(=O)=O)C(=O)N2[C@H]1C(O)=O
928,sulopenem,0,C[C@@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C(O)=O)SC3CC[S](=O)C3
931,tacrolimus,0,CO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(C)/[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)CC(=C/[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)/C)OC)[C@H](C[C@H]4C)OC
932,talampicillin,0,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC4OC(=O)c5ccccc45
933,tazobactam,0,C[C@]1(Cn2ccnn2)[C@@H](N3[C@@H](CC3=O)[S]1(=O)=O)C(O)=O
934,teicoplanin,0,CCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2c3Oc4ccc(C[C@H]5NC(=O)[C@H](N)c6ccc(O)c(Oc7cc(O)cc(c7)[C@H](NC5=O)C(=O)N[C@H]8C(=O)N[C@H]9C(=O)N[C@@H]([C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10NC(C)=O)c%11ccc(Oc2cc8c3)c(Cl)c%11)C(=O)N[C@@H](C(O)=O)c%12cc(O)cc(O[C@H]%13O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%13O)c%12c%14cc9ccc%14O)c6)cc4Cl
935,temocillin,0,CO[C@]1(NC(=O)C(C(O)=O)c2cscc2)[C@H]3SC(C)(C)[C@@H](N3C1=O)C(O)=O
937,thiphencillin,0,CC1(C)SC2C(NC(=O)CSc3ccccc3)C(=O)N2C1C(O)=O
938,tigemonam,0,CC1(C)[C@H](NC(=O)C(=N\OCC(O)=O)/c2csc(N)n2)C(=O)N1O[S](O)(=O)=O
940,tobramycin,0,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O
942,troleandomycin,0,CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1OC(C)=O)O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(C)=O)N(C)C)[C@@H](C)C[C@@]4(CO4)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C
943,trospectomycin,0,CCCC[C@@H]1CC(=O)[C@]2(O)O[C@@H]3[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@H]3O[C@@H]2O1
944,tymazoline,0,CC(C)c1ccc(C)cc1OCC2=NCCN2
945,vindesine,0,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(N)=O)C1
946,virginiamycin-factor-m1,0,CC(C)C1OC(=O)C2=CCCN2C(=O)c3coc(CC(=O)CC(O)\C=C(C)/C=C\CNC(=O)\C=C/C1C)n3
947,xantocillin,0,Oc1ccc(cc1)/C=C([N+]#[C-])/C(=C/c2ccc(O)cc2)[N+]#[C-]
948,zorubicin,0,[Cl-].COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)/C(C)=N/NC(=O)c6ccccc6.[H+]
949,cryofluorane,1,ClC(C(F)(F)Cl)(F)F
950,gacyclidine,1,[C@@]3(C1=CC=CS1)(N2CCCCC2)[C@H](CCCC3)C
952,acaprazine,1,C1=C(Cl)C=CC(=C1N2CCN(CCCNC(C)=O)CC2)Cl
953,acebrochol,1,[C@]34([C@H]([C@H]2[C@@H]([C@@]1(C([C@@H](C(CC1)OC(C)=O)Br)[C@@H](C2)Br)C)CC3)CC[C@@H]4[C@@H](CCCC(C)C)C)C
955,acefurtiamine,1,C2=C(CN(C(=C(SC(=O)C1=CC=CO1)\CCOC(=O)COC(=O)C)/C)C=O)C(=NC(=N2)C)N
956,aceglutamide,1,C(C(NC(C)=O)C(O)=O)CC(N)=O
957,aceperone,1,C1=CC=CC=C1C3(CCN(CCCC(C2=CC=C(F)C=C2)=O)CC3)CNC(C)=O
958,acetaminosalol,1,C2=C(C(OC1=CC=C(C=C1)NC(C)=O)=O)C(=CC=C2)O
959,acetazolamide,1,CC(NC1=NN=C(S1)[S](N)(=O)=O)=O
960,acetiamine,1,C1=NC(=NC(=C1CN(C(=C(\CCOC(C)=O)SC(C)=O)/C)C=O)N)C
961,acetorphan/racecadotril/ecadotril,1,C2=C(CC(C(NCC(OCC1=CC=CC=C1)=O)=O)CSC(C)=O)C=CC=C2
962,acetorphine,1,[C@H]23OC1=C(OC(=O)C)C=CC6=C1C25C4(C[C@@H](C3(OC)C=C4)[C@](O)(CCC)C)C(N(CC5)C)C6
963,acetylmethadol/levacetylmethadol/alphacetylmethadol/betacetylmethadol,1,C2=C(C(C1=CC=CC=C1)(C(OC(=O)C)CC)CC(N(C)C)C)C=CC=C2
965,acrocinonide,1,[C@]12(OC(O[C@@H]1CC3C2(CC(O)C4(F)C3CCC5=CC(=O)C=CC45C)C)C=C)C(=O)CO
967,adafenoxate,1,C1=CC(=CC=C1OCC(OCCNC23CC4CC(C2)CC(C3)C4)=O)Cl
968,adatanserin,1,C1=NC(=NC=C1)N5CCN(CCNC(C23CC4CC(C2)CC(C3)C4)=O)CC5
969,alaproclate,1,C1=CC(=CC=C1CC(OC(C(C)N)=O)(C)C)Cl
971,alentemol,1,C1=C3C2=C(C=C1O)C=CC=C2CC(C3)N(CCC)CCC
972,alfadolone,1,[C@@H]12C4([C@@H](CCC1[C@H]3C(CC2=O)(C(CC3)C(=O)CO)C)C[C@H](O)CC4)C
974,algestone-acetonide,1,CC14C5(C(CC1C3C(C2(C(=CC(=O)CC2)CC3)C)CC4)OC(O5)(C)C)C(C)=O
975,aliflurane,1,COC1(C(F)(F)C1(F)Cl)F
976,alletorphine,1,[C@@](O)(C5C6(OC)C2OC1=C(O)C=CC4=C1C23C(C(N(CC3)CC=C)C4)(C5)C=C6)(CCC)C
978,almoxatone,1,[C@H]3(CN(C2=CC=C(OCC1=CC=CC(=C1)Cl)C=C2)C(O3)=O)CNC
980,alonimid,1,C1=CC=CC3=C1C2(C(NC(=O)CC2)=O)CCC3=O
981,aloracetam,1,C1=C([N](C(=C1C=O)C)CCNC(C)=O)C
982,alozafone,1,C1=C(C(=CC=C1Cl)N(C(CN(C(CC#N)C)C)=O)C)C(C2=C(C=CC=C2)F)=O
983,alphameprodine/betameprodine,1,[C@]2(C1=CC=CC=C1)([C@H](CN(C)CC2)CC)OC(CC)=O
984,alphamethadol,1,[C@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)C[C@H](N(C)C)C)(CC)O
985,alpiropride,1,C1=C(C(=CC(=C1[S](NC)(=O)=O)N)OC)C(NCC2N(CCC2)CC=C)=O
987,amcinafal,1,[C@H]23C([C@@]1(OC(O[C@@H]1C2)(CC)CC)C(=O)CO)(C[C@H](O)[C@@]4(F)C3CCC5=CC(=O)C=CC45C)C
988,amcinafide,1,[C@H]24C([C@@]1(O[C@@](O[C@@H]1C2)(C3=CC=CC=C3)C)C(=O)CO)(C[C@H](O)[C@@]5(F)C4CCC6=CC(=O)C=CC56C)C
989,amcinonide,1,[C@@]45([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@H]4OC6(O5)CCCC6)C)C(COC(C)=O)=O
990,amelometasone,1,[C@H]12[C@@]([C@](OC(=O)CC)([C@H](C1)C)C(=O)COC)(C[C@H](O)[C@@]3(F)[C@H]2CCC4=CC(=O)C=C[C@]34C)C
991,ameltolide,1,C1=C(C(=C(C=C1)C)NC(C2=CC=C(N)C=C2)=O)C
993,amfetaminil,1,C2=C(C(NC(CC1=CC=CC=C1)C)C#N)C=CC=C2
994,amineptine,1,C3=C2C([NH2+]CCCCCCC(O)=O)C1=CC=CC=C1CCC2=CC=C3.[Cl-]
995,amisulpride,1,C1=C([S](CC)(=O)=O)C(=CC(=C1C(NCC2N(CCC2)CC)=O)OC)N
996,amitriptylinoxide,1,C1=CC=CC2=C1C(C3=C(CC2)C=CC=C3)=CCC[N+](C)(C)[O-]
997,amixetrine,1,C1=CC=CC=C1C(CN2CCCC2)OCCC(C)C
998,amperozide,1,C3=C(C(C1=CC=C(C=C1)F)CCCN2CCN(C(NCC)=O)CC2)C=CC(=C3)F
999,amphenidone,1,C1=C(C=CC=C1N2C(C=CC=C2)=O)N
1000,ampyzine,1,CN(C)c1cnccn1
1002,anileridine,1,C3=C(CCN1CCC(CC1)(C2=CC=CC=C2)C(OCC)=O)C=CC(=C3)N
1003,aniracetam,1,C1=CC(=CC=C1C(N2C(CCC2)=O)=O)OC
1004,anseculin,1,COc2cc1oc(=O)c(C)c(C)c1cc2OCCCN3CCN(CC3)c4ccccc4OC
1005,apadoline,1,[C@H](N1C3=C(SC2=C1C=CC=C2)C=CC(=C3)C(=O)NCCC)(CN4CCCC4)C
1006,aprobarbital,1,C(C1(C(NC(=O)NC1=O)=O)C(C)C)C=C
1007,aripiprazole,1,C1=C4C(=CC=C1OCCCCN3CCN(C2=CC=CC(=C2Cl)Cl)CC3)CCC(N4)=O
1008,ascorbic-acid,1,C(O)C(O)C1OC(=C(O)C1=O)O
1009,aspirin,1,C1=CC=CC(=C1C(O)=O)OC(C)=O
1010,atolide,1,C1=CC=CC(=C1C(NC2=C(C=C(N(CC)CC)C=C2)C)=O)N
1012,atropine-oxide,1,C1=CC=CC=C1C(C(OC2CC3[N+](C(C2)CC3)(C)[O-])=O)CO
1015,azabon,1,C1=CC(=CC=C1[S](N2CC3CCC(C2)CC3)(=O)=O)N
1017,azacyclonol,1,C3=C(C(O)(C1=CC=CC=C1)C2CCNCC2)C=CC=C3
1018,azaloxan,1,O=C1NCCN1C4CCN(CCC3COc2ccccc2O3)CC4
1019,azaquinzole,1,C1=CC=CC2=C1C3N(CC2)CCNC3
1020,azepindole,1,C1=CC=CC2=C1[N]3C(=C2)CNCCC3
1021,azipramine,1,CN(CCc2cc3cccc4CCc1ccccc1n2c34)Cc5ccccc5
1022,balaperidone,1,[C@H]13[C@H](C[C@@H]1C2=CC=C(F)C=C2)CN(C3)CCN4C(=O)C5=C(NC4=O)C=CC=C5
1023,bamifylline,1,C1=CC=CC=C1CC2=NC3=C([N]2CCN(CCO)CC)C(N(C)C(N3C)=O)=O
1024,barbital,1,C(C1(C(NC(=O)NC1=O)=O)CC)C
1025,batelapine,1,C1=CC=CC3=C1N=C([N]2C(=NC(=N2)C)C3)N4CCN(C)CC4
1026,beclamide,1,C1=CC=CC=C1CNC(CCCl)=O
1027,beclomethasone/beclometasone,1,[C@]23([C@H]([C@H]1[C@]([C@](C(CO)=O)(O)[C@H](C1)C)(C)C[C@@H]2O)CCC4=CC(=O)C=C[C@]34C)Cl
1028,befloxatone,1,[C@@H]2(CN(C1=CC=C(C=C1)OCC[C@H](C(F)(F)F)O)C(O2)=O)COC
1030,benfotiamine,1,C2=C(CN(C(=C(SC(=O)C1=CC=CC=C1)/CCO[P](=O)(O)O)/C)C=O)C(=NC(=N2)C)N
1031,benorilate,1,C1=CC=CC(=C1C(OC2=CC=C(NC(C)=O)C=C2)=O)OC(C)=O
1032,bentazepam,1,C4=C(C2=C1C3=C(SC1=NC(=O)CN2)CCCC3)C=CC=C4
1033,bentiamine,1,C3=C(C(SC(/CCOC(C1=CC=CC=C1)=O)=C(N(CC2=C(N=C(N=C2)C)N)C=O)/C)=O)C=CC=C3
1034,benzaprinoxide,1,C1=CC=C(Cl)C3=C1\C(C2=CC=CC=C2C=C3)=C/CC[N+]([O-])(C)C
1035,benzindopyrine,1,[Cl].C1=CC=CC2=C1[N](C=C2CCC3=CC=NC=C3)CC4=CC=CC=C4
1036,benzyl-alcohol,1,C(C1=CC=CC=C1)O
1037,berupipam,1,[C@@H]4(C1=C2C(=CC(=C1)Br)CCO2)C3=C(C=C(Cl)C(=C3)O)CCN(C4)C
1039,betamethasone-acibutate,1,[C@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@@H]4C)C)(OC(C5=CC=CC=C5)=O)C(CO)=O
1040,betamethasone-benzoate,1,[C@]14([C@@]([C@@H](C)C[C@H]1[C@H]3[C@]([C@@]2(C(=CC(=O)C=C2)CC3)C)(F)[C@H](C4)O)(OC(CCCC)=O)C(CO)=O)C
1041,binospirone,1,O=C2CC1(CCCC1)CC(=O)N2CCNCC4COc3ccccc3O4
1042,biotin,1,C(C2C1C(NC(N1)=O)CS2)CCCC(O)=O
1043,bipenamol,1,S1[C@H]4N(CC1(C2CN3[C@H](S2)CC3=O)O)C(C4)=O
1044,biriperone,1,C1=CC=CC2=C1C4=C([NH]2)CN3CCN(CC3C4)CCCC(C5=CC=C(C=C5)F)=O
1045,bisbentiamine,1,C1=NC(=NC(=C1CN(C(=C(SSC(=C(\C)N(C=O)CC2=C(N)N=C(C)N=C2)/CCOC(=O)C3=CC=CC=C3)/CCOC(=O)C4=CC=CC=C4)\C)C=O)N)C
1046,bisorcic,1,[C@H](CCCNC(C)=O)(C(O)=O)NC(C)=O
1047,blonanserin,1,C1=C(C3=C(N=C1N2CCN(CC)CC2)CCCCCC3)C4=CC=C(F)C=C4
1048,bremazocine,1,[C@@]23(C([C@H](N(CC1(CC1)O)CC2)CC4=C3C=C(C=C4)O)(C)C)CC
1049,brofoxine,1,C1=CC(=CC2=C1NC(=O)OC2(C)C)Br
1050,bromisoval,1,CC(C(C(NC(N)=O)=O)Br)C
1051,bromoform,1,C(Br)(Br)Br
1052,brosotamide,1,C1=C(C(=C(C=C1Br)C)O)C(N)=O
1053,brosuximide,1,C2=C(C1C(NC(C1)=O)=O)C=CC=C2Br
1054,brotizolam,1,C1=C(Br)SC2=C1C(=NCC3=NN=C([N]23)C)C4=C(C=CC=C4)Cl
1055,buciclovir,1,[C@@H](CC[N]2C1=C(C(N=C(N1)N)=O)N=C2)(CO)O
1056,butacetin,1,C1=C(C=CC(=C1)NC(C)=O)OC(C)(C)C
1058,butaperazine,1,C1=C(C(CCC)=O)C=CC3=C1N(C2=C(C=CC=C2)S3)CCCN4CCN(C)CC4
1059,butoctamide,1,C(C(CCCC)CC)NC(CC(C)O)=O
1060,butorphanol,1,[C@]235[C@]([C@H](N(CC1CCC1)CC2)CC4=C3C=C(O)C=C4)(CCCC5)O
1061,cabergoline,1,[C@@H]34C1=CC=CC2=C1C(=C[NH]2)C[C@H]3N(C[C@@H](C4)C(N(C(NCC)=O)CCCN(C)C)=O)CC=C
1062,cafedrine,1,C1=NC3=C([N]1CCNC(C(C2=CC=CC=C2)O)C)C(N(C)C(N3C)=O)=O
1063,camazepam,1,C1=C(Cl)C=CC2=C1C(=NC(OC(N(C)C)=O)C(N2C)=O)C3=CC=CC=C3
1064,camphor,1,CC12C(C(CC1=O)CC2)(C)C
1065,caproxamine,1,C1=C(C(=CC=C1C(/CCCCC)=N\OCCN)C)N
1066,captodiame,1,C1=CC(=CC=C1C(C2=CC=CC=C2)SCCN(C)C)SCCCC
1067,carbubarb,1,C(C1(C(NC(=O)NC1=O)=O)CCCC)COC(N)=O
1068,carburazepam,1,C1=C(Cl)C=CC2=C1C(N(CC(=O)N2C)C(N)=O)C3=CC=CC=C3
1069,carfimate,1,C1=C(C(OC(N)=O)C#C)C=CC=C1
1071,caroxazone,1,C1=CC=CC2=C1CN(CC(N)=O)C(O2)=O
1073,carphenazine/carfenazine,1,C1=C(C=CC3=C1N(CCCN2CCN(CC2)CCO)C4=C(S3)C=CC=C4)C(CC)=O
1074,carzenide,1,C1=C(C=CC(=C1)[S](N)(=O)=O)C(O)=O
1076,cebaracetam,1,C1=CC(=CC=C1C3CN(CC(N2CC(NCC2)=O)=O)C(C3)=O)Cl
1077,celucloral,1,OC1OC(COCCOC(O)C(Cl)(Cl)Cl)C(OC2OC(COCCOCCOC(O)C(Cl)(Cl)Cl)CC(OC(O)C(Cl)(Cl)Cl)C2O)C(OCCOCCOC(O)C(Cl)(Cl)Cl)C1O
1078,cerivastatin,1,[C@@H](/C=C/C1=C(N=C(C(=C1C2=CC=C(C=C2)F)COC)C(C)C)C(C)C)(C[C@H](CC(O)=O)O)O
1079,cetohexazine,1,CC1=CC(=NNC1=O)C
1080,cetophenicol/cetofenicol,1,C1=C(C(O)C(CO)NC(C(Cl)Cl)=O)C=CC(=C1)C(=O)C
1082,chloralose,1,[C@@H]2(OC1O[C@@H](O[C@@H]1[C@H]2O)C(Cl)(Cl)Cl)[C@H](O)CO
1084,chlormezanone,1,C1=CC(=CC=C1C2[S](CCC(N2C)=O)(=O)=O)Cl
1087,chromocarb,1,C1=C2C(=CC=C1)C(C=C(O2)C(O)=O)=O
1088,ciclesonide,1,[C@@]45([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)C[C@H]4O[C@H](O5)C6CCCCC6)C)C(COC(C(C)C)=O)=O
1089,ciclotizolam,1,C1=C(SC2=C1C(=NCC3=NN=C([N]23)C4CCCCC4)C5=CC=CC=C5Cl)Br
1090,cicortonide,1,[C@H]23C([C@@]1(OC(O[C@@H]1C2)(C)C)C(=O)COC(=O)C)(CC(O)[C@@]4(F)C3CC(=C5C4(CCC(=C5)OCCCl)C)C#N)C
1091,cilobamine,1,[C@@]1([C@H](C2CCC1CC2)NC(C)C)(C3=CC(=C(C=C3)Cl)Cl)O
1092,cimemoxin,1,C(C1CCCCC1)NN
1094,cimoxatone,1,C1=CC(=CC=C1N2CC(COC)OC2=O)OCC3=CC(=CC=C3)C#N
1095,cinoctramide,1,C1=C(C(=C(C=C1\C=C\C(N2CCCCCCC2)=O)OC)OC)OC
1096,cinolazepam,1,C1=C(Cl)C=CC2=C1C(=NC(O)C(N2CCC#N)=O)C3=CC=CC=C3F
1098,ciprocinonide,1,[C@]34([C@H](C2[C@@](F)([C@@]1(C(=CC(=O)C=C1)[C@@H](F)C2)C)[C@@H](O)C3)C[C@H]5OC(O[C@@]45C(=O)COC(=O)C6CC6)(C)C)C
1099,citatepine,1,C1=C(C#N)C=CC3=C1C4=C(C2=C(C=CC=C2)S3)CCN(CC4)C
1100,clebopride,1,C1=C(C(=CC(=C1Cl)N)OC)C(NC3CCN(CC2=CC=CC=C2)CC3)=O
1101,clidafidine,1,C1=C(C(=C(C=C1)Cl)NC2=NCCO2)Cl
1102,clobetasone,1,[C@@]23(F)[C@H]([C@H]1[C@@]([C@@]([C@H](C1)C)(O)C(=O)CCl)(CC2=O)C)CCC4=CC(=O)C=C[C@]34C
1104,clocapramine,1,C1=C(Cl)C=CC4=C1N(CCCN3CCC(N2CCCCC2)(CC3)C(N)=O)C5=C(CC4)C=CC=C5
1105,clocortolone,1,[C@@]24(Cl)C1(C(=CC(=O)C=C1)[C@@H](F)CC2C3C(C([C@@H](C3)C)C(=O)CO)(CC4O)C)C
1106,clocortolone-acetate,1,[C@H]2(C1=CC(C=C[C@@]1(C4([C@@H](C2)[C@@H]3C[C@H]([C@H](C(COC(=O)C)=O)[C@@]3(C)C[C@@H]4O)C)Cl)C)=O)F
1107,clocortolone-pivalate,1,[C@@]24(Cl)C1(C(=CC(=O)C=C1)[C@@H](F)CC2C3C(C([C@@H](C3)C)C(=O)COC(=O)C(C)(C)C)(CC4O)C)C
1108,clodazon,1,C1=C(Cl)C=CC3=C1N(C2=CC=CC=C2)C(=O)N3CCCN(C)C
1109,clofenciclan,1,C2=C(C1(OCCN(CC)CC)CCCCC1)C=CC(=C2)Cl
1110,clofluperol,1,C1=C(C(=CC=C1C3(CCN(CCCC(C2=CC=C(F)C=C2)=O)CC3)O)Cl)C(F)(F)F
1111,clopenthixol/zuclopenthixol,1,C1=C(Cl)C=CC3=C1\C(C2=C(C=CC=C2)S3)=C/CCN4CCN(CCO)CC4
1112,cloperidone,1,C1=CC=CC4=C1C(N(CCCN3CCN(C2=CC(=CC=C2)Cl)CC3)C(N4)=O)=O
1113,cloprednol,1,[C@H]24[C@H]1[C@@]([C@](C(CO)=O)(O)CC1)(C[C@@H]([C@@H]2[C@@]3(C(=CC(=O)C=C3)C(=C4)Cl)C)O)C
1114,clorethate/cloretate,1,C(C(Cl)(Cl)Cl)OC(OCC(Cl)(Cl)Cl)=O
1115,clorgiline,1,C1=C(C(=CC(=C1)Cl)Cl)OCCCN(CC#C)C
1117,clorotepine,1,C1=C(Cl)C=CC4=C1C(N2CCN(C)CC2)CC3=C(C=CC=C3)S4
1118,clotiazepam,1,C1=C(CC)SC2=C1C(=NCC(N2C)=O)C3=CC=CC=C3Cl
1119,cloticasone(cloticasone-propionate),1,[C@]34([C@H](C2[C@@](F)([C@@]1(C(=CC(=O)C=C1)[C@@H](F)C2)C)[C@@H](O)C3)C[C@H]([C@]4(OC(=O)CC)C(SCCl)=O)C)C
1121,cogazocine,1,C1=C(O)C=CC4=C1C3(C(C(N(CC2CCC2)CC3)C4)(C)C)CC
1122,conorphone(conorfone),1,[C@H]12C5CC4=C3[C@]1([C@H](C(C[C@@H]2CC)=O)OC3=C(C=C4)OC)CCN5CC6CC6
1123,cormetasone,1,CC1CC2C3CC(F)(F)C4=CC(=O)C=C[C@]4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO
1124,cortexolone(cortodoxonecortifen),1,C(O)C(=O)C4(O)C3(C(C2C(C1(C(=CC(=O)CC1)CC2)C)CC3)CC4)C
1125,cortisone-acetate,1,[C@]34([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)C(C3)=O)CC[C@@]4(C(COC(C)=O)=O)O)C
1126,cortisuzol,1,[C@H]37[C@H]2[C@@]([C@](C(COC(C1=CC(=CC=C1)[S](O)(=O)=O)=O)=O)(O)[C@@H](C2)C)(C[C@@H]([C@@H]3[C@@]4(C(=CC5=C(C4)C=N[N]5C6=CC=CC=C6)C(=C7)C)C)O)C
1127,cortivazol,1,[C@H]26[C@H]1[C@@]([C@](C(COC(C)=O)=O)(O)[C@@H](C1)C)(C[C@@H]([C@@H]2[C@@]3(C(=CC4=C(C3)C=N[N]4C5=CC=CC=C5)C(=C6)C)C)O)C
1128,cotinine,1,C1=CC=NC=C1C2N(C(=O)CC2)C
1129,cotriptyline,1,C1=CC=CC2=C1C(C3=C(CC2)C=CC=C3)=CC(CN(C)C)=O
1130,crilvastatin,1,CC2(CC(OC(C1NC(=O)CC1)=O)CC(C2)C)C
1131,crotetamide,1,C(C(N(C(\C=C\C)=O)CC)C(N(C)C)=O)C
1132,cyclarbamate,1,C1=CC=CC=C1NC(OCC3(COC(NC2=CC=CC=C2)=O)CCCC3)=O
1133,cyclindole(ciclindole),1,C1=CC=CC2=C1C3=C([NH]2)CCC(C3)N(C)C
1134,cyclobarbital,1,C(C2(C1=CCCCC1)C(NC(=O)NC2=O)=O)C
1136,cyclopregnol,1,[C@]23(C1(C(C1)CC2)[C@H](O)C[C@@H]4[C@@H]3CC[C@]5([C@H]4CC[C@@H]5C(=O)C)C)C
1137,cycotiamine,1,C1=NC(=NC(=C1CN(C(/C)=C2\CCOC(=O)S2)C=O)N)C
1138,cyheptamide,1,C1=CC=CC3=C1C(C2=C(C=CC=C2)CC3)C(N)=O
1139,cyprenorphine,1,[C@@]135C67[C@@H](N(CC1)CC2CC2)CC4=CC=C(O)C(=C34)O[C@@H]5C(OC)(C(C6)C(O)(C)C)C=C7
1140,cyprodenate,1,C(C1CCCCC1)CC(OCCN(C)C)=O
1141,cyprolidol,1,C4=C(C(C2C(C1=CC=NC=C1)C2)(C3=CC=CC=C3)O)C=CC=C4
1144,dazadrol,1,C1=CC(=CC=C1C(C2=NCCN2)(C3=NC=CC=C3)O)Cl
1146,delfaprazine,1,C1=C(C(=CC=C1C)CC2=CC=CC=C2)N3CCNCC3
1147,demoxepam,1,C3=C(C1=C2C(=NC(=O)CN1O)C=CC(=C2)Cl)C=CC=C3
1148,denbufylline,1,C1=NC2=C([N]1CC(C)=O)C(N(CCCC)C(N2CCCC)=O)=O
1149,deprodone,1,CC(=O)C3(O)CCC4C2CCC1=CC(=O)C=CC1(C)C2C(O)CC34C
1150,desciclovir,1,C1=NC(=NC2=C1N=C[N]2COCCO)N
1152,desonide,1,[C@]12(OC(O[C@@H]1C[C@@H]3C2(CC(O)[C@H]4C3CCC5=CC(=O)C=CC45C)C)(C)C)C(=O)CO
1153,desoximetasone,1,[C@H]23[C@@]([C@@]1(C(=CC(=O)C=C1)CC2)C)([C@H](C[C@]4([C@H]3C[C@@H](C)[C@@H]4C(CO)=O)C)O)F
1155,dexamethasone-acefurate,1,[C@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@H]4C)C)(OC(C5=CC=CO5)=O)C(COC(C)=O)=O
1156,dexamisole,1,[C@@H]3(C1=CC=CC=C1)CN2CCSC2=N3
1157,deximafen(imafen),1,C3=C(C1N2C(=NC1)NCC2)C=CC=C3
1158,dexoxadrol(dioxadrolandlevoxadrol),1,[C@@H]1(NCCCC1)[C@@H]2OC(OC2)(C3=CC=CC=C3)C4=CC=CC=C4
1159,dichlorisone,1,[C@@]23(Cl)C(C1C([C@](O)(CC1)C(=O)CO)(CC2Cl)C)CCC4=CC(=O)C=CC34C
1160,dichlorisone-acetate,1,[C@@]23(Cl)C(C1C([C@](O)(CC1)C(=O)COC(=O)C)(CC2Cl)C)CCC4=CC(=O)C=CC34C
1162,diclometide,1,C1=C(Cl)C=C(C(=C1C(NCCN(CC)CC)=O)OC)Cl
1163,didrovaltrate,1,[C@]23([C@@H]1[C@@H](C(=CO[C@H]1OC(=O)CC(C)C)COC(=O)CC(C)C)C[C@@H]2OC(=O)C)OC3
1165,difluanine(difluanazine),1,C4=C(C(C1=CC=C(C=C1)F)CCCN3CCN(CCNC2=CC=CC=C2)CC3)C=CC(=C4)F
1166,diflucortolone,1,[C@@]24(F)C1(C(=CC(=O)C=C1)[C@@H](F)CC2C3C(C([C@@H](C3)C)C(=O)CO)(CC4O)C)C
1167,diflucortolone-pivalate,1,[C@H]23[C@@]([C@@]1(C(=CC(=O)C=C1)[C@H](C2)F)C)([C@H](C[C@]4([C@H]3C[C@@H](C)[C@@H]4C(COC(C(C)(C)C)=O)=O)C)O)F
1168,dimelazine,1,C1=CC=CC3=C1N(C2=C(C=CC=C2)S3)CC4(CN(C)CC4)C
1169,dimethadione,1,CC1(C(NC(O1)=O)=O)C
1170,dimethazan,1,C1=NC2=C([N]1CCN(C)C)C(N(C)C(N2C)=O)=O
1171,dimethylamphetamine(dimethamphetamine),1,CN(C(C)CC1=CC=CC=C1)C
1173,dioxamate,1,C(C1(OC(COC(N)=O)CO1)C)CCCCCCCC
1174,diphoxazide,1,C2=C(C(C1=CC=CC=C1)(CC(NNC(C)=O)=O)O)C=CC=C2
1176,divaplon,1,C1=C(N=C2[N]1C(=C(CC)C(=N2)OC)C)C(C3=CC=CC=C3)=O
1177,dizocilpine(MK-801),1,C1=CC=CC2=C1C3(C4=C(CC2N3)C=CC=C4)C
1178,domoprednate,1,[C@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)CCC4)C)(OC(CCC)=O)C(C)=O
1179,donepezil,1,[H+].C1=C(OC)C(=CC2=C1C(=O)C(C2)CC3CCN(CC3)CC4=CC=CC=C4)OC.[Cl-]
1180,dopamantine,1,C4=C(CCNC(C12CC3CC(C1)CC(C2)C3)=O)C=CC(=C4O)O
1182,drotebanol,1,[C@@]123C4=C(C[C@H]([C@@]1(CC[C@H](C2)O)O)N(CC3)C)C=CC(=C4OC)OC
1183,duloxetine,1,C1=CC=C3C(=C1OC(C2=CC=CS2)CCNC)C=CC=C3
1184,duoperone,1,C1=C(C(F)(F)F)C=CC3=C1N(C2=C(C=CC=C2)S3)CCCN5CCC(C(C4=CC=C(F)C=C4)=O)CC5
1186,eclanamine,1,[C@H]2(N(C1=CC=C(C(=C1)Cl)Cl)C(CC)=O)[C@@H](CCC2)N(C)C
1187,edaravone,1,C2=C(N1N=C(C)CC1=O)C=CC=C2
1189,elanzepine,1,C1=CC(=CC3=C1\C(C2=CC=CC=C2N3)=C/CN(CC)CC)Cl
1190,elfazepam,1,C1=C(Cl)C=CC2=C1C(=NCC(N2CC[S](CC)(=O)=O)=O)C3=CC=CC=C3F
1191,elopiprazole,1,C1=C(C2=C(C=C1)C=CO2)N5CCN(CC3=CC=C([NH]3)C4=CC=C(C=C4)F)CC5
1192,eltoprazine,1,C1=C(C2=C(C=C1)OCCO2)N3CCNCC3
1193,embutramide,1,C1=C(C=CC=C1C(CNC(CCCO)=O)(CC)CC)OC
1194,enciprazine,1,C3=C(N2CCN(CC(COC1=CC(=C(OC)C(=C1)OC)OC)O)CC2)C(=CC=C3)OC
1196,endixaprine,1,C3=C(C2=CC=C(N1CCC(O)CC1)N=N2)C(=CC(=C3)Cl)Cl
1197,endomide,1,[C@@H]1([C@@H]([C@H]2C=C[C@@H]1C2)C(N(CC)CC)=O)C(N(CC)CC)=O
1198,endrysone(endrisone),1,CC3CC2C1CCC(C(C)=O)C1(C)CC(O)C2C4(C)C=CC(=O)C=C34
1199,enilospirone,1,C3=C(OC2C1(NC(=O)C(O1)C)CCCC2)C=CC=C3Cl
1200,eptastigmine,1,[C@@]12(C3=C(N(C)[C@H]1N(C)CC2)C=CC(=C3)OC(NCCCCCCC)=O)C
1201,erizepine,1,C1=CC=CC3=C1C4=C(C2=C(C=CC=C2)N3C)CCN(CC4)C
1202,etacepride,1,C1=C(C(C)=O)C=CC(=C1C(NCC2N(CCC2)CC)=O)OC
1203,etamiphyllin,1,C1=NC2=C([N]1CCN(CC)CC)C(N(C)C(N2C)=O)=O
1204,etasuline,1,C1=C(Cl)C=CC3=C1C(C2=CC=CC=C2)SC(=N3)NCC
1205,etazepine,1,C1=CC=CC2=C1C(C3=C(N(C)C2=O)C=CC=C3)OCC
1206,ethomoxane,1,[H+].C2=C1OCC(OC1=C(C=C2)OCC)CNCCCC.[Cl-]
1207,ethylene(ethene),1,C(C)Cl
1208,ethyl-loflazepate,1,C=C
1209,ethypicone,1,C(C1(C(C(=CNC1=O)C)=O)CC)C
1210,eticyclidine,1,C2=C(C1(CCCCC1)NCC)C=CC=C2
1211,etifoxine,1,[H+].C2=C1C(OC(=NC1=CC=C2Cl)NCC)(C3=CC=CC=C3)C.[Cl-]
1212,etiracetam(levetiracetam),1,C(C(N1C(CCC1)=O)C(N)=O)C
1213,etisulergine,1,[C@@H]34C1=CC=CC2=C1C(=C[NH]2)C[C@H]3N(C[C@H](C4)N[S](N(CC)CC)(=O)=O)C
1214,etodroxizine,1,C3=C(C(N1CCN(CC1)CCOCCOCCO)C2=CC=CC=C2)C=CC(=C3)Cl.O=C(O)\C=C\C(O)=O
1215,etoperidone,1,C1=C(C=CC=C1N3CCN(CCCN2C(N(C(=N2)CC)CC)=O)CC3)Cl
1216,etorphine,1,C2=CC(=C3OC5C14C6(C(N(CC1)C)CC2=C34)CC(C5(OC)C=C6)C(O)(CCC)C)O
1217,etoxadrol,1,C3=C(C2(OC(C1CCCCN1)CO2)CC)C=CC=C3
1218,famciclovir,1,C1=NC2=C([N]1CCC(COC(C)=O)COC(C)=O)N=C(N)N=C2
1220,fasiplon,1,C1=C(N=C2[N]1C(=C(CC)C(=N2)OC)C)C3=NOC(=N3)C
1221,fasoracetam,1,[C@H]1(NC(=O)CC1)C(=O)N2CCCCC2
1222,febarbamate,1,C2=C(C1(C(N(CC(COCCCC)OC(N)=O)C(=O)NC1=O)=O)CC)C=CC=C2
1223,felbamate,1,C1=C(C(COC(N)=O)COC(N)=O)C=CC=C1
1224,femoxetine,1,C3=C(C2C(COC1=CC=C(OC)C=C1)CN(C)CC2)C=CC=C3
1225,fenaperone,1,C1=CC(=CC=C1C(CCCN3CCN(C(OC2CCCCC2)=O)CC3)=O)F
1226,fenbutrazate,1,C3=C(C1C(N(CCO1)CCOC(C(C2=CC=CC=C2)CC)=O)C)C=CC=C3
1227,fencamfamin,1,C3=C(C1C(NCC)C2CC1CC2)C=CC=C3
1228,fengabine,1,C2=C(\C(NCCCC)=C\1C=C(Cl)C=CC1=O)C(=CC=C2)Cl
1229,fenharmane,1,C4=C3[NH]C1=C(CCNC1CC2=CC=CC=C2)C3=CC=C4
1230,fenimide,1,C2=C(C1(C(C(=O)NC1=O)CC)C)C=CC=C2
1231,fenmetozole,1,C1=C(C(=CC=C1OCC2=NCCN2)Cl)Cl
1232,fenmetramide,1,C1=CC=CC=C1C2C(NC(=O)CO2)C
1233,fenobam,1,C1=C(C=CC=C1NC(NC2=NC(=O)CN2C)=O)Cl
1234,fenozolone,1,C1=CC=CC=C1C2C(N=C(O2)NCC)=O
1235,fenpentadiol,1,C1=CC(=CC=C1C(CC(C)(C)O)(C)O)Cl
1236,fepitrizol,1,C3=C(C1=NC(=N[N]1C)C2=CC=CN=C2)C(=CC=C3)CO
1237,fipexide,1,C1=C4C(=CC(=C1)CN3CCN(C(COC2=CC=C(Cl)C=C2)=O)CC3)OCO4
1238,flerobuterol,1,C1=C(C(CNC(C)(C)C)O)C(=CC=C1)F
1240,fluacizine,1,C1=C(C(F)(F)F)C=CC3=C1N(C2=C(C=CC=C2)S3)C(CCN(CC)CC)=O
1241,fluazacort,1,[C@@]34(F)C(C2C(C1(N=C(OC1C2)C)C(=O)COC(=O)C)(CC3O)C)CCC5=CC(=O)C=CC45C
1242,flubanilate,1,CCOC(=O)N(CCN(C)C)c1cccc(c1)C(F)(F)F
1244,flucloronide(fluclorolone-acetonide),1,[C@@]23(Cl)C1(C(=CC(=O)C=C1)[C@@H](F)CC2C5C(CC3Cl)([C@]4(C(=O)CO)OC(O[C@@H]4C5)(C)C)C)C
1245,fludrocortisone,1,[C@H]23[C@@]([C@@]1(C(=CC(=O)CC1)CC2)C)([C@H](C[C@]4([C@H]3CC[C@@]4(C(CO)=O)O)C)O)F
1246,fludrocortisone-acetate,1,[C@H]23[C@@]([C@@]1(C(=CC(=O)CC1)CC2)C)([C@H](C[C@]4([C@H]3CC[C@@]4(C(COC(C)=O)=O)O)C)O)F
1249,fluocinonide,1,[C@@]45([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)[C@H](C2)F)C)(F)[C@H](C3)O)C[C@H]4OC(O5)(C)C)C)C(COC(C)=O)=O
1250,fluocortin,1,CCCCOC(=O)C(=O)C3C(C)CC4C2CC(F)C1=CC(=O)C=CC1(C)C2C(O)CC34C
1251,fluocortolone-caproate,1,CCCCCC(=O)OCC(=O)C3C(C)CC4C2CC(F)C1=CC(=O)C=CC1(C)C2C(O)CC34C
1252,fluoresone,1,C1=CC(=CC=C1[S](CC)(=O)=O)F
1254,fluotracen,1,[C@@H]1(C3=C([C@H](C2=C1C=CC=C2)C)C=CC(=C3)C(F)(F)F)CCCN(C)C
1256,fluphenazine-enanthate,1,C1=C(C(F)(F)F)C=CC3=C1N(C2=C(C=CC=C2)S3)CCCN4CCN(CCOC(CCCCCC)=O)CC4
1258,fluprazine,1,C1=C(C=CC=C1N2CCN(CCNC(N)=O)CC2)C(F)(F)F
1260,flutazolam,1,C1=C(Cl)C=CC2=C1C3(N(CC(=O)N2CCO)CCO3)C4=CC=CC=C4F
1261,flutemazepam,1,CN2C(=O)C(O)N=C(c1ccccc1F)c3cc(Cl)ccc23
1262,fluticasone,1,CC4CC3C2CC(F)C1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)SCF
1263,fluticasone-propionate,1,[C@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)[C@H](C2)F)C)(F)[C@H](C3)O)C[C@H]4C)C)(OC(CC)=O)C(SCF)=O
1264,flutizenol,1,C1=C(C(F)(F)F)C=CC3=C1N(C2=C(SC=C2)S3)CCCN4CCN(CCO)CC4
1265,flutomidate,1,C1=C(C(OCC)=O)[N](C=N1)C(C)C2=CC=C(C=C2)F
1266,flutroline,1,C1=CC(=CC2=C1[N](C4=C2CN(CCCC(C3=CC=C(C=C3)F)O)CC4)C5=CC=C(F)C=C5)F
1267,fluvastatin,1,[C@@H](O)(/C=C/C1=C(C2=C([N]1C(C)C)C=CC=C2)C3=CC=C(F)C=C3)C[C@H](O)CC(=O)O
1268,fluvoxamine,1,C1=C(C(F)(F)F)C=CC(=C1)C(=N/OCCN)/CCCCOC.O=C(O)\C=C/C(=O)O
1270,folic-acid,1,[C@H](NC(C3=CC=C(NCC1=NC2=C(N=C1)NC(=NC2=O)N)C=C3)=O)(CCC(O)=O)C(O)=O
1271,formocortal,1,[C@]12(OC(O[C@@H]1CC3C2(CC(O)[C@@]4(F)C3CC(=C5C4(CCC(=C5)OCCCl)C)C=O)C)(C)C)C(=O)COC(=O)C
1272,fosazepam,1,C1=CC(=CC2=C1N(C(CN=C2C3=CC=CC=C3)=O)C[P](C)(C)=O)Cl
1273,fosenazide,1,C1=CC=CC=C1[P](C2=CC=CC=C2)(CC(NN)=O)=O
1274,fosfomycin,1,[C@@H]1([P](O)(O)=O)[C@H](C)O1
1275,fosphenytoin,1,C1=CC=CC=C1C3(C2=CC=CC=C2)C(N(CO[P](O)(O)=O)C(N3)=O)=O
1276,ftormetazine,1,C1=C(C(F)(F)F)C=CC3=C1N(C2=C(C=CC=C2)S3)C(CCN4CCN(C)CC4)=O
1278,furomazine,1,C1=C(Cl)C=CC3=C1N(C2=C(C=CC=C2)S3)CCCN5CCC(C4C(OCC4)=O)(O)CC5
1279,fursultiamine,1,C1=NC(=NC(=C1CN(C(=C(SSCC2CCCO2)\CCO)/C)C=O)N)C
1280,gaboxadol,1,O=C2C1=C(CNCC1)ON2
1281,ganaxolone,1,[C@H]13[C@@H]([C@@]2([C@@H](CC1)C[C@](O)(CC2)C)C)CC[C@]4([C@H]3CC[C@@H]4C(=O)C)C
1282,gedocarnil,1,C1=NC(=C(C2=C1[NH]C3=C2C(=CC=C3)OC4=CC=C(C=C4)Cl)COC)C(OC(C)C)=O
1284,gepirone,1,[H+].C1=CC=NC(=N1)N2CCN(CC2)CCCCN3C(=O)CC(CC3=O)(C)C.[Cl-]
1285,gevotroline,1,C1=C(F)C=CC2=C1C3=C([NH]2)CCN(C3)CCCC4=CN=CC=C4
1287,halcinonide,1,[C@@]45([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)CC1)CC2)C)(F)[C@H](C3)O)C[C@H]4OC(O5)(C)C)C)C(CCl)=O
1289,halopemide,1,C1=CC(=CC4=C1N(C3CCN(CCNC(C2=CC=C(F)C=C2)=O)CC3)C(N4)=O)Cl
1290,haloperidol-decanoate,1,C1=CC(=CC=C1C3(CCN(CCCC(C2=CC=C(C=C2)F)=O)CC3)OC(CCCCCCCCC)=O)Cl
1292,haloxazolam,1,C1=C(Br)C=CC3=C1C2(N(CCO2)CC(=O)N3)C4=C(C=CC=C4)F
1293,hexapradol,1,C2=C(C(C1=CC=CC=C1)(C(CCCCC)N)O)C=CC=C2
1294,homopipramol,1,C3=C2N(C1=CC=CC=C1C=CC2=CC=C3)CCCN4C=CN(CC=C4)CCO
1295,homprenorphine,1,C1=CC(=C5C2=C1CC6C34C2(C(C(OC)(C(C3)C(CC)(C)O)C=C4)O5)CCN6CC7CC7)OC
1296,hopantenic-acid,1,[C@H](C(NCCCC(O)=O)=O)(C(CO)(C)C)O
1297,hydrocortamate,1,[C@]34([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@H](C3)O)CC[C@@]4(C(COC(CN(CC)CC)=O)=O)O)C
1298,hydrocortisone-aceponate,1,[C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@H](C3)O)CC4)C)(C(COC(C)=O)=O)OC(CC)=O
1299,hydrocortisonecypionate(hydrocortisone-cipionate),1,[C@]34([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C3)CC[C@]4(O)C(=O)COC(=O)CCC(O)=O)C.O
1301,hydrocortisone-valerate,1,CC14CCC(=O)C=C1CCC5C3CCC(O)(C(=O)COC(=O)CCC2CCCC2)C3(C)CC(O)C45
1302,hydromorphinol,1,[C@@]125C3=C4C[C@H]([C@@]1(CC[C@@H]([C@@H]2OC3=C(C=C4)O)O)O)N(C)CC5
1303,hydroxindasol,1,C1=C(O)C=CC2=C1C(=C(C)[N]2CC3=CC=C(OC)C=C3)CCN
1304,ibrotamide,1,C(C(C(C)C)(C(N)=O)Br)C
1305,iclazepam,1,C1=C(Cl)C=CC2=C1C(=NCC(N2CCOCC3CC3)=O)C4=CC=CC=C4
1307,ilepcimide,1,C1=C3C(=CC=C1\C=C\C(N2CCCCC2)=O)OCO3
1308,iloperidone,1,C1=CC(=CC2=C1C(=NO2)C4CCN(CCCOC3=C(C=C(C(C)=O)C=C3)OC)CC4)F
1309,imiclopazine,1,C1=C(Cl)C=CC3=C1N(C2=C(C=CC=C2)S3)CCCN5CCN(CCN4C(N(C)CC4)=O)CC5
1310,imidoline,1,C2=C(N1C(N(CCN(C)C)CC1)=O)C=CC=C2Cl
1311,imipraminoxide,1,C1=CC=CC2=C1N(C3=C(CC2)C=CC=C3)CCC[N+](C)(C)[O-]
1312,indatraline,1,[C@@H]2(C1=CC=CC=C1[C@H](NC)C2)C3=CC=C(Cl)C(=C3)Cl.[H+].[Cl-]
1313,indeloxazine,1,C2=C(C1=C(C=CC1)C=C2)OCC3CNCCO3
1314,indomethacin(indometacin),1,C1=CC(=CC2=C1[N](C(=C2CC(O)=O)C)C(C3=CC=C(Cl)C=C3)=O)OC
1315,indriline,1,C1=CC=CC3=C1C(C2=CC=CC=C2)(C=C3)CCN(C)C
1316,iproclozide,1,C1=CC(=CC=C1OCC(NNC(C)C)=O)Cl
1317,iprozilamine,1,CSC1=C(N=C(N=C1N2CCN(C)CC2)NC(C)C)Cl
1318,ipsapirone,1,[H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
1319,isocarboxazid,1,C1=C(C)ON=C1C(NNCC2=CC=CC=C2)=O
1320,isoflupredone,1,C(C(C1(CCC2C4C(C(CC12C)O)(F)C3(C=CC(C=C3CC4)=O)C)O)=O)O
1323,ivoqualine,1,[C@H]3(CCCC1=C2C(=NC=C1)C=CC(=C2)OC)[C@@H](CNCC3)C=C
1324,ketazocine,1,[C@H]12N(CC[C@](C1C)(C3=C(C2=O)C=CC(=C3)O)C)CC4CC4
1325,ketazolam,1,C1=C(Cl)C=CC2=C1C3(N(CC(=O)N2C)C(C=C(O3)C)=O)C4=CC=CC=C4
1326,ketobemidone,1,C1=C(C=CC=C1C2(CCN(C)CC2)C(CC)=O)O
1327,lesopitron,1,C1=CC=NC(=N1)N3CCN(CCCC[N]2C=C(Cl)C=N2)CC3
1329,linopirdine,1,C1=CC=CC2=C1C(C(N2C3=CC=CC=C3)=O)(CC4=CC=NC=C4)CC5=CC=NC=C5
1330,lisuride,1,[C@@H]14C(=C[C@H](NC(N(CC)CC)=O)CN1C)C2=CC=CC3=C2C(=C[NH]3)C4
1331,litracen,1,C1=CC=CC3=C1C(C2=C(C=CC=C2)C3(C)C)=CCCNC
1332,lofendazam,1,C1=C(Cl)C=CC3=C1N(C2=CC=CC=C2)C(CCN3)=O
1333,lofentanil,1,[C@]3(N(C1=CC=CC=C1)C(=O)CC)(C(=O)OC)[C@H](CN(CCC2=CC=CC=C2)CC3)C
1336,lopirazepam,1,C3=C(C1=NC(C(=O)NC2=C1N=C(Cl)C=C2)O)C(=CC=C3)Cl
1337,loprazolam,1,C1=CC(=CC4=C1N2C(=NC(/C2=O)=C\N3CCN(C)CC3)CN=C4C5=C(C=CC=C5)Cl)[N+](=O)[O-]
1338,loratadine,1,C1=CC(=CC2=C1C(C3=C(CC2)C=CC=N3)=C4CCN(C(OCC)=O)CC4)Cl
1339,lormetazepam,1,C1=C(Cl)C=CC2=C1C(=NC(O)C(N2C)=O)C3=CC=CC=C3Cl
1340,lorpiprazole,1,[C@H]23C1=NN=C([N]1C[C@H]2CCC3)CCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F
1341,lortalamine,1,[C@@]123OC4=C(C(C1CN(CC2)C)CC(=O)N3)C=C(Cl)C=C4
1342,lorzafone,1,C1=CC(=CC(=C1N(C(=O)CNC(=O)CN)C)C(=O)C2=CC=CC=C2Cl)Cl.O
1343,losigamone,1,C2=C(C(C1C(=CC(O1)=O)OC)O)C(=CC=C2)Cl
1344,loteprednol(loteprednol-etabonate),1,CCOC(=O)OC3(CCC4C2CCC1=CC(=O)C=CC1(C)C2C(O)CC34C)C(=O)OCCl
1346,lufuradom,1,C1=CC(=CC2=C1C(=NCC(N2C)CNC(C3=COC=C3)=O)C4=CC=CC=C4)F
1347,mazindol,1,C1=CC=CC2=C1C(N3C2=NCC3)(C4=CC=C(C=C4)Cl)O
1348,mazipredone,1,[C@]34([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)CC[C@@]4(C(CN5CCN(C)CC5)=O)O)C
1349,mebanazine,1,C1=CC=CC=C1C(NN)C
1350,mebutamate,1,C(C(C(CC)C)(COC(N)=O)C)OC(N)=O
1351,meclonazepam,1,[C@H]2(N=C(C1=C(C=CC(=C1)[N+](=O)[O-])NC2=O)C3=CC=CC=C3Cl)C
1352,mecloralurea,1,CNC(NC(C(Cl)(Cl)Cl)O)=O
1353,meclorisone(meclorisone-dibutyrate),1,[C@@]23(Cl)C(C1C([C@](O)([C@@H](C1)C)C(=O)CO)(CC2Cl)C)CCC4=CC(=O)C=CC34C
1354,medrysone,1,[C@@H]23[C@H]([C@H]1[C@]([C@@H](C(C)=O)CC1)(C)C[C@@H]2O)C[C@H](C)C4=CC(=O)CC[C@]34C
1355,mefexamide,1,[H+].C1=C(OCC(=O)NCCN(CC)CC)C=CC(=C1)OC.[Cl-]
1356,melitracen,1,C1=CC=CC3=C1C(C2=C(C=CC=C2)C3(C)C)=CCCN(C)C
1358,memantine,1,CC12CC3(CC(C1)(CC(C2)C3)N)C
1359,mephenoxalone,1,C1=C(C(=CC=C1)OC)OCC2CNC(O2)=O
1360,meprotixol,1,C1=C(OC)C=CC3=C1C(C2=C(C=CC=C2)S3)(CCCN(C)C)O
1361,mequitazine,1,C1=CC=CC2=C1SC5=C(N2CC3C4CCN(C3)CC4)C=CC=C5
1362,mesulergine,1,[C@@H]34C1=CC=CC2=C1C(=C[N]2C)C[C@H]3N(C[C@H](C4)N[S](N(C)C)(=O)=O)C
1363,metacetamol,1,C1=C(C=CC=C1O)NC(C)=O
1364,metaglycodol,1,C1=C(C(C(C)(C)O)(C)O)C=CC=C1Cl
1365,methapyrilene,1,C2=C(N(CC1=CC=CS1)CCN(C)C)N=CC=C2
1366,metharbital,1,C(C1(C(NC(N(C1=O)C)=O)=O)CC)C
1367,methitural,1,C(C1(C(NC(=S)NC1=O)=O)C(CCC)C)CSC
1368,methyldesorphine,1,C5=C3C1=C(OC4C12C(C(N(CC2)C)C3)CC=C4C)C(=C5)O
1369,methyldihydromorphine,1,[C@@H]25CC1=CC=C(C4=C1[C@@]3([C@H]2CC[C@@H]([C@@H]3O4)OC)CCN5C)O
1371,metiapine,1,C1=C(C)C=CC3=C1C(=NC2=C(C=CC=C2)S3)N4CCN(C)CC4
1372,metofenazate,1,C1=C(Cl)C=CC3=C1N(C2=C(C=CC=C2)S3)CCCN5CCN(CCOC(C4=CC(=C(OC)C(=C4)OC)OC)=O)CC5
1373,metopimazine,1,C1=C([S](C)(=O)=O)C=CC3=C1N(C2=C(C=CC=C2)S3)CCCN4CCC(C(N)=O)CC4
1375,metoserpate,1,C5=C4C3=C(C2N(CC1CC(OC)C(C(C1C2)C(OC)=O)OC)CC3)[NH]C4=CC(=C5)OC
1376,metoxepin,1,C1=C(OC)C=CC3=C1C(=CC2=C(C=CC=C2)O3)N4CCN(C)CC4
1377,metralindole,1,C1=C(OC)C=CC2=C1C4=C3[N]2CCN(C3=NCC4)C
1379,mexazolam,1,C1=C(Cl)C=CC3=C1C2(N(C(C)CO2)CC(=O)N3)C4=CC=CC=C4Cl
1380,mezilamine,1,CSC2=C(N1CCN(C)CC1)N=C(NC)N=C2Cl
1381,miconazole,1,C1=C(C=CC(=C1Cl)COC(C[N]2C=NC=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
1382,midaflur,1,C1(=NC(NC1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)N
1383,milacemide,1,C(NCC(N)=O)CCCC
1384,milameline,1,CN1CC(=CCC1)\C=N\OC
1385,minaprine,1,C1=C(C(=NN=C1C2=CC=CC=C2)NCCN3CCOCC3)C
1386,minaxolone,1,[C@@H]23[C@H]([C@H]1[C@]([C@@H](C(C)=O)CC1)(C)C[C@H]2N(C)C)CC[C@@H]4[C@@]3(C[C@H](OCC)[C@H](C4)O)C
1387,mirisetron,1,[C@@H]45N([C@@H](CC(NC(=O)C1=CN(C2=C(C1=O)C=CC=C2)C3CCCCC3)C4)CC5)C
1388,moclobemide,1,C2=C(C(NCCN1CCOCC1)=O)C=CC(=C2)Cl
1389,modafinil,1,C2=C(C(C1=CC=CC=C1)[S](CC(N)=O)=O)C=CC=C2
1392,morsuximide,1,C3=C(C2(C(N(CN1CCOCC1)C(C2)=O)=O)C)C=CC=C3
1393,mosapramine,1,C1=C(Cl)C=CC5=C1N(CCCN4CCC3(N2C(CCCC2)NC3=O)CC4)C6=C(CC5)C=CC=C6
1394,motrazepam,1,C1=C([N+](=O)[O-])C=CC2=C1C(=NCC(N2COC)=O)C3=CC=CC=C3
1396,moxiraprine,1,C(N1CCOCC1)CNC2=NNC(C=C2C)=C3C=CC(=O)C=C3
1397,myrophine,1,[C@@]126C3=C4C[C@H]([C@@H]1C=C[C@@H]([C@@H]2OC3=C(C=C4)OCC5=CC=CC=C5)OC(CCCCCCCCCCCCC)=O)N(CC6)C
1398,nabazenil,1,C1=C(C(C(CCCCC)C)C)C=C(C2=C1OC(C3=C2CC(C)CC3)(C)C)OC(CCCN4CCCCCC4)=O
1399,nabilone,1,[C@H]23C1=C(C=C(C(CCCCCC)(C)C)C=C1O)OC([C@@H]2CCC(C3)=O)(C)C
1400,nafimidone,1,C2=C(C(C[N]1C=CN=C1)=O)C=CC3=CC=CC=C23
1401,naflocort,1,[C@]14([C@H]([C@H]3[C@](F)([C@@H](O)C1)[C@@]2(C(=CC(=O)C=C2)CC3)C)C[C@@H]6[C@]4(CC5=CC=CC=C5C6)C(=O)CO)C.O
1402,nalbuphine,1,OC1CCC2(O)C3Cc5ccc(O)c6OC1C2(CCN3CC4CCC4)c56
1403,nalmefene,1,[C@@]126C3=C4C[C@H]([C@@]1(CCC([C@@H]2OC3=C(C=C4)O)=C)O)N(CC5CC5)CC6
1405,napactadine,1,C1=C(C=CC2=C1C=CC=C2)CC([NH2+]C)=NC.[Cl-]
1407,naprodoxime,1,C2=C1C(=CC=CC1=CC=C2)OC(\C(=N\O)N)C
1409,nefiracetam,1,C1=CC=C(C(=C1C)NC(CN2C(CCC2)=O)=O)C
1411,nialamide,1,C1=CN=CC=C1C(NNCCC(NCC2=CC=CC=C2)=O)=O
1412,niaprazine,1,C1=CC(=CC=C1N3CCN(CCC(NC(C2=CC=CN=C2)=O)C)CC3)F
1413,nicocortonide,1,[C@]125OC(O[C@@]([C@]1(C[C@H](O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)(CC5)C(=O)COC(=O)C6=CC=NC=C6)\C=C/C
1415,nicopholine,1,C1=CC=NC=C1C(N2CCOCC2)=O
1416,nicotinamide,1,C(C1=CN=CC=C1)(=O)N
1417,nikethamide,1,C1=CC=NC=C1C(N(CC)CC)=O
1418,nimetazepam,1,C1=C([N+]([O-])=O)C=CC2=C1C(=NCC(=O)N2C)C3=CC=CC=C3
1419,nisobamate,1,C(C(COC(N)=O)(C(CC)C)C)OC(NC(C)C)=O
1420,nisoxetine,1,C1=CC=CC=C1C(OC2=CC=CC=C2OC)CCNC
1421,nitrafudam,1,NC(=N)c1ccc(o1)c2ccccc2N(=O)=O
1422,nivazol(nivacortol),1,[C@H]12C([C@@](O)(CC1)C#C)(CC[C@H]3C2CCC4=CC5=C(CC34C)C=N[N]5C6=CC=C(F)C=C6)C
1423,nomelidine,1,C1=CC(=CC=C1\C(C2=CC=CN=C2)=C\CNC)Br
1424,nomifensine,1,C1=CC=C(C3=C1C(C2=CC=CC=C2)CN(C)C3)N
1425,nonapyrimine,1,C1=C[NH]C2=C1C(=NC=N2)NCCCCCCCCC
1427,norlevorphanol,1,C1=C(O)C=CC3=C1C24C(C(NCC2)C3)CCCC4
1428,normorphine,1,C1=CC(=C3C2=C1CC5C4C2(C(O3)C(O)C=C4)CCN5)O
1429,nortetrazepam,1,C1=C(Cl)C=CC2=C1C(=NCC(=O)N2)C3=CCCCC3
1430,noscapine,1,[C@@H]3(C1=C(C=C2C(=C1OC)OCO2)CCN3C)[C@@H]5C4=C(C(=C(OC)C=C4)OC)C(O5)=O
1431,noxiptiline,1,C1=CC=CC2=C1C(C3=C(CC2)C=CC=C3)=NOCCN(C)C
1432,nuclotixene,1,C1=C(Cl)C=CC3=C1\C(C2=C(C=CC=C2)S3)=C\C4C5CCN(C4)CC5
1433,ocaperidone,1,C1=CC(=CC2=C1C(=NO2)C5CCN(CCC3=C(N=C4N(C3=O)C=CC=C4C)C)CC5)F
1434,ocinaplon,1,C1=N[N]3C(=C1C(C2=NC=CC=C2)=O)N=CC=C3C4=CC=NC=C4
1435,octamoxin,1,C(C(NN)C)CCCCC
1436,octriptyline,1,CNCCC=C3c1ccccc1C2CC2c4ccccc34
1437,omiloxetine,1,[C@H]2([C@H](CN(CC(C1=CC=C(F)C=C1)=O)CC2)COC4=CC3=C(OCO3)C=C4)C5=CC=C(F)C=C5
1438,oxaflozane,1,C2=C(C1CN(CCO1)C(C)C)C=CC(=C2)C(F)(F)F
1440,oxifentorex,1,C1=CC=CC=C1C[N+](C(CC2=CC=CC=C2)C)(C)[O-]
1443,oxitriptan,1,C1=C(O)C=CC2=C1C(=C[NH]2)CC(C(O)=O)N
1444,oxitriptyline,1,CN(C)C(=O)COC2c1ccccc1CCc3ccccc23
1445,pagoclone,1,C4=C3C(N(C1=CC=C2C(=N1)N=C(Cl)C=C2)C(=O)C3=CC=C4)CC(CCC(C)C)=O
1446,panadiplon,1,C1=NC(=C3[N]1C2=C(C=CC=C2)N(C3=O)C(C)C)C4=NOC(=N4)C5CC5
1447,panamesine,1,[C@H]5(CN3CCC(C2=CC1=C(OCO1)C=C2)(CC3)O)CN(C4=CC=C(OC)C=C4)C(O5)=O
1448,pancopride,1,C3=C(C(NC1C2CCN(C1)CC2)=O)C(=CC(=C3Cl)N)OCC4CC4
1449,panuramine,1,C1=C4C(=CC=C1CN3CCC(NC(NC(C2=CC=CC=C2)=O)=O)CC3)C=CC=C4
1450,paraldehyde,1,CC1OC(C)OC(O1)C
1451,paramethasone-acetate,1,[C@]34([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)[C@H](C2)F)C)[C@H](C3)O)C[C@H]([C@@]4(C(COC(C)=O)=O)O)C)C
1452,pargyline,1,C1=CC=CC=C1CN(CC#C)C
1453,paroxetine,1,[C@@H]3([C@H](COC1=CC=C2C(=C1)OCO2)CNCC3)C4=CC=C(C=C4)F
1454,pazinaclone,1,C1=CC=CC2=C1C(N(C2=O)C3=NC4=C(C=C3)C=CC(=N4)Cl)CC(=O)N6CCC5(OCCO5)CC6
1455,penfluridol,1,C4=C(C(CCCN1CCC(CC1)(C2=CC=C(C(=C2)C(F)(F)F)Cl)O)C3=CC=C(C=C3)F)C=CC(=C4)F
1456,pentabamate,1,CC(C(C(OC(N)=O)C)C)OC(N)=O
1457,pentamorphone,1,[C@]135[C@@]4([C@@H](CC2=C1C(=C(C=C2)O)O[C@H]3C(=O)C=C4)N(C)CC5)NCCCCC
1458,penthrichloral,1,C(C1(COC(C(Cl)(Cl)Cl)OC1)CO)O
1459,pentiapine,1,CN1CCN(CC1)C3=Nc2ccccc2Sc4nccn34
1462,perphenazine,1,C1=C(Cl)C=CC3=C1N(C2=C(C=CC=C2)S3)CCCN4CCN(CCO)CC4
1463,petrichloral,1,C(C(COC(C(Cl)(Cl)Cl)O)(COC(C(Cl)(Cl)Cl)O)COC(C(Cl)(Cl)Cl)O)OC(C(Cl)(Cl)Cl)O
1465,phenazocine,1,C1=C(C=CC2=C1C3(C)C(C)C(C2)N(CC3)CCC4=CC=CC=C4)O
1466,pheneturide,1,C1=CC=CC=C1C(C(NC(N)=O)=O)CC
1467,phenmetrazine,1,C2=C(C1C(C)NCCO1)C=CC=C2
1468,phenoxypropazine(fenoxypropazine),1,C1=C(OCC(NN)C)C=CC=C1
1469,phensuximide,1,C1=CC=CC=C1C2C(N(C)C(C2)=O)=O
1470,phenyl-salicylate,1,C1(=CC=CC=C1)OC2=CC=CC=C2C(=O)[O-]
1471,phenytoin,1,C1=CC=CC=C1C3(C2=CC=CC=C2)NC(=O)NC3=O
1472,phetharbital,1,C1=CC=CC=C1N2C(C(C(NC2=O)=O)(CC)CC)=O
1473,piberaline,1,C3=C(C(N2CCN(CC1=CC=CC=C1)CC2)=O)N=CC=C3
1474,picenadol,1,[C@]2(C1=CC(=CC=C1)O)([C@H](CN(C)CC2)C)CCC
1475,pidolacetamol,1,[C@H]2(C(OC1=CC=C(NC(C)=O)C=C1)=O)NC(=O)CC2
1476,pipequaline,1,C2=C(C1=CC=CC=C1)N=C4C(=C2CCC3CCNCC3)C=CC=C4
1478,piperilate(pipethanate),1,C3=C(C(C1=CC=CC=C1)(C(OCCN2CCCCC2)=O)O)C=CC=C3
1479,pipofezine,1,C2=C(N1CCN(C)CC1)N=NC3=C2N(C4=C(O3)C=CC=C4)C
1480,pipotiazine-palmitate,1,C1=C([S](N(C)C)(=O)=O)C=CC3=C1N(C2=C(C=CC=C2)S3)CCCN4CCC(CCOC(CCCCCCCCCCCCCCC)=O)CC4
1481,piquindone,1,[C@H]12C(C3=C(C[C@@H]1CCN(C2)C)[NH]C(=C3CC)C)=O
1482,piracetam,1,C(N1C(CCC1)=O)C(N)=O
1483,pirandamine,1,C1=CC=CC2=C1C3=C(C2)CCOC3(CCN(C)C)C
1485,piritramide,1,C1=CC=CC=C1C(C2=CC=CC=C2)(CCN4CCC(N3CCCCC3)(C(N)=O)CC4)C#N
1486,pirlindole,1,[N]14C3=C(C2=C1C=CC(=C2)C)CCCC3NCC4.[H+].[Cl-]
1487,pivagabine,1,C(NC(C(C)(C)C)=O)CCC(O)=O
1488,pivoxazepam,1,C1=C(Cl)C=CC2=C1C(=NC(C(=O)N2)OC(C(C)(C)C)=O)C3=CC=CC=C3
1489,pramiracetam,1,C(N1C(CCC1)=O)C(NCCN(C(C)C)C(C)C)=O
1490,prazitone,1,C1=CC=CC=C1C3(CC2CCCCN2)C(NC(=O)NC3=O)=O
1491,prednicarbate,1,[C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)CC4)C)(C(COC(CC)=O)=O)OC(OCC)=O
1492,prednisolamate,1,C(C(C4(C3(C(C2C(C1(C(=CC(=O)C=C1)CC2)C)C(C3)O)CC4)C)O)=O)OC(CN(CC)CC)=O
1493,prednisolone-steaglate,1,[C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](C(COC(COC(CCCCCCCCCCCCCCCCC)=O)=O)=O)(O)CC4)C
1494,prednisolone-tebutate,1,[C@]34([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)CC[C@@]4(C(COC(CC(C)(C)C)=O)=O)O)C
1495,prednylidene,1,C(C(C3(C(CC4C2CCC1=CC(C=CC1(C)C2C(CC34C)O)=O)=C)O)=O)O
1496,pregabalin,1,[C@@H](CC(=O)O)(CC(C)C)CN
1497,pregnenolone-succinate,1,C(C(OC4CC3=CCC2C1C(C(CC1)C(C)=O)(CCC2C3(CC4)C)C)=O)CC(O)=O
1498,pridefine,1,[H+].C3=C(C(=C1CCN(C1)CC)C2=CC=CC=C2)C=CC=C3.[Cl-]
1499,procarbazine,1,C1=CC(=CC=C1C(NC(C)C)=O)CNNC
1500,procymate,1,C(C(C1CCCCC1)OC(N)=O)C
1501,proflazepam,1,C1=C(Cl)C=CC2=C1C(=NCC(N2CC(CO)O)=O)C3=CC=CC=C3F
1502,progabide,1,C2=C(\C(NCCCC(=O)N)=C/1C=C(F)C=CC1=O)C=CC(=C2)Cl
1504,promoxolane,1,C(C1OC(C(C)C)(C(C)C)OC1)O
1505,propacetamol,1,C1=CC(=CC=C1OC(CN(CC)CC)=O)NC(C)=O
1506,propanidid,1,[CH2-][CH-]C
1507,propizepine,1,C1=CC=CC2=C1N(C(C3=C(N2)N=CC=C3)=O)CC(N(C)C)C
1508,propofol,1,C1=CC=C(C(=C1C(C)C)O)C(C)C
1509,propyperone,1,C1=CC(=CC=C1C(CCCN3CCC(N2CCCCC2)(CC3)C(CC)=O)=O)F
1510,prothixene,1,C1=CC=CC3=C1C(C2=C(C=CC=C2)S3)=CCCN(C)C
1511,proxibarbal,1,C(C1(C(NC(=O)NC1=O)=O)CC=C)C(C)O
1512,proxorphan,1,Oc5ccc4CC2C1CCOCC1(CCN2CC3CC3)c4c5
1514,psilocybine,1,C1=CC=C(C2=C1[NH]C=C2CCN(C)C)O[P](O)(O)=O
1515,pyridarone,1,C2=C(C1=CC=NC=C1)OC3=C2C=CC=C3
1517,quetiapine,1,C1=CC=CC3=C1C(=NC2=CC=CC=C2S3)N4CCN(CCOCCO)CC4
1518,quilostigmine,1,[C@@]45(C1=C(C=CC(=C1)OC(N3CC2=CC=CC=C2CC3)=O)N([C@H]4N(C)CC5)C)C
1520,ramciclane,1,C1=CC=CC=C1CC2(C3(C(C)(C)C(C2)CC3)C)OCCN(C)C
1521,rasagiline,1,[C@@H]1(C2=C(CC1)C=CC=C2)NCC#C
1522,reclazepam,1,C1=CC(=CC3=C1N(C2=NC(=O)CO2)CCN=C3C4=CC=CC=C4Cl)Cl
1523,remacemide,1,C1=CC=CC=C1C(CC2=CC=CC=C2)(NC(CN)=O)C
1524,remifentanil,1,C1=CC=CC=C1N(C2(CCN(CCC(OC)=O)CC2)C(OC)=O)C(CC)=O
1525,resocortol,1,CCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C
1527,ricasetron,1,C3(NC(N1C2=C(C(C)(C)C1)C=CC=C2)=O)C[C@@H]4N(C)[C@H](C3)CC4
1528,rilmazafone,1,C2=C([N]1C(=NC(=N1)C(N(C)C)=O)CNC(CN)=O)C(=CC(=C2)Cl)C(C3=C(C=CC=C3)Cl)=O
1529,rimcazole,1,CC4CN(CCCn2c1ccccc1c3ccccc23)CC(C)N4
1530,rimexolone,1,[C@H]12[C@@]([C@](C(CC)=O)(C)[C@@H](C1)C)(C[C@H](O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C
1531,ripazepam,1,C1=CC=CC=C1C2=NCC(NC3=C2[N](N=C3C)CC)=O
1532,rivastigmine,1,[C@H](C1=CC(=CC=C1)OC(N(CC)C)=O)(N(C)C)C
1533,robalzotan,1,[C@@H]3(N(C1CCC1)C2CCC2)CC4=C(OC3)C(=CC=C4C(=O)N)F
1534,rociclovir,1,C1=NC2=C([N]1COC(COC(C)C)COC(C)C)N=C(N)N=C2
1536,rofleponide,1,[C@H]23[C@@]([C@@]1(O[C@@H](O[C@@H]1C2)CCC)C(=O)CO)(C[C@H](O)[C@@]4(F)[C@H]3C[C@H](F)C5=CC(=O)CC[C@]45C)C
1537,rolicyprine,1,C3=C(C2C(NC(=O)C1NC(CC1)=O)C2)C=CC=C3
1538,rolipram,1,C1=C(C(=CC=C1C2CNC(C2)=O)OC)OC3CCCC3
1539,romergoline,1,[C@@H]25C(=C[C@@H](CN1CC(NC(C1)=O)=O)CN2C)C3=CC=CC4=C3C(=C[NH]4)C5
1540,romifidine,1,C1=C(C(=C(C=C1)Br)NC2=NCCN2)F
1541,ropinirole,1,C2=C(C1=C(NC(C1)=O)C=C2)CCN(CCC)CCC
1543,sabcomeline,1,CON=C(C#N)C1CN2CCC1CC2
1544,salicin,1,[C@@H]2(OC1=C(C=CC=C1)CO)O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO
1545,salicylamide,1,C(C1=CC=CC=C1O)(=O)N
1546,salsalate(salsalic-acid),1,C1=CC=CC(=C1OC(C2=C(C=CC=C2)O)=O)C(O)=O
1547,sameridine,1,C1=CC=CC=C1C2(C(N(CC)C)=O)CCN(CCCCCC)CC2
1549,savoxepin,1,N#Cc5ccc4Oc1ccccc1C2=C(CCN(CC2)CC3CCCC3)c4c5
1550,selegiline,1,[C@@H](CC1=CC=CC=C1)(N(CC#C)C)C
1551,semorphone,1,[C@@]125C3=C4C[C@H]([C@@]1(CCC([C@@H]2OC3=C(C=C4)O)=O)O)N(CCOC)CC5
1552,sertindole,1,C2=C(C1=C(C=CC(=C1)Cl)[N]2C3=CC=C(C=C3)F)C5CCN(CCN4C(NCC4)=O)CC5
1553,setiptiline,1,C1=CC=CC3=C1C4=C(C2=C(C=CC=C2)C3)CN(C)CC4
1554,sibopirdine,1,C1=CC=NC2=C1C(C3=C2N=CC=C3)(CC4=CC=NC=C4)CC5=CN=CC=C5.O
1556,sifaprazine,1,C1=CC=CC(=C1N2CCN(C)CC2)CC3=CC=CC=C3
1557,simvastatin,1,[C@H]12[C@@H](OC(C(CC)(C)C)=O)C[C@@H](C)C=C1C=C[C@@H]([C@@H]2CC[C@@H]3C[C@H](CC(O3)=O)O)C
1558,soretolide,1,C1=CC=C(C(=C1C)C(NC2=NOC(=C2)C)=O)C
1559,spiperone,1,C1=CC=CC=C1N2C4(C(NC2)=O)CCN(CCCC(C3=CC=C(F)C=C3)=O)CC4
1560,spiradoline,1,[C@]24(C[C@@H]([C@@H](N(C(CC1=CC(=C(Cl)C=C1)Cl)=O)C)CC2)N3CCCC3)CCCO4
1561,spiramide,1,C4=C(N1C3(C(NC1)=O)CCN(CCCOC2=CC=C(C=C2)F)CC3)C=CC=C4
1562,spirilene,1,C1=CC=CC=C1N2C4(C(NC2)=O)CCN(CC\C=C(C3=CC=C(F)C=C3)\C)CC4
1563,spiroxepin,1,C1=CC=CC2=C1C4(C3=C(OC2)C=CC=C3)OC(CN(C)C)CO4
1564,stacofylline,1,C(C1=NC2=C([N]1C)C(N(C)C(N2C)=O)=O)CCN3CCN(C(N(CC)CC)=O)CC3
1565,stiripentol,1,C1=C2C(=CC=C1\C=C\C(C(C)(C)C)O)OCO2
1566,suclofenide,1,C3=C(N2C(C(C1=CC=CC=C1)CC2=O)=O)C(=CC(=C3)[S](N)(=O)=O)Cl
1567,sulfamethoxazole(tiabendazole),1,C1=CC(=CC=C1[S](NC2=NOC(=C2)C)(=O)=O)N
1568,sulfonmethane,1,C([S](C(C)(C)[S](=O)(=O)CC)(=O)=O)C
1569,sulmepride,1,C1=C(C(=CC=C1[S](N)(=O)=O)OC)C(NCC2N(CCC2)C)=O
1570,sulthiame(sultiame),1,C1=CC(=CC=C1N2[S](CCCC2)(=O)=O)[S](N)(=O)=O
1571,sultopride,1,C1=C([S](CC)(=O)=O)C=CC(=C1C(NCC2N(CCC2)CC)=O)OC
1572,sumacetamol,1,[C@H](C(=O)OC1=CC=C(C=C1)NC(=O)C)(NC(=O)C)CCSC
1573,sunepitron,1,O=C1CCC(=O)N1CC1CCC2CN(CCN2C1)c1ncccn1
1574,suproclone,1,C4=C(N2C(C1=C(SCCS1)C2=O)OC(N3CCN(C(CC)=O)CC3)=O)N=C5C(=C4)C=CC(=N5)Cl
1575,suriclone,1,C4=C(N2C(C1=C(SCCS1)C2=O)OC(N3CCN(C)CC3)=O)N=C5C(=C4)C=CC(=N5)Cl
1576,suritozole,1,C1=C(C=CC=C1C2=NN(C)C(N2C)=S)F
1577,taglutimide(biglumide),1,O=C3C1C(C2CCC1C2)C(=O)N3C4C(NC(=O)CC4)=O
1578,talopram,1,C1=CC=CC3=C1C(C2=CC=CC=C2)(OC3(C)C)CCCNC
1579,talsupram,1,C1=CC=CC3=C1C(C2=CC=CC=C2)(SC3(C)C)CCCNC
1581,tameridone,1,C1=NC5=C([N]1CCN4CCC(C2=C[NH]C3=C2C=CC=C3)CC4)C(N(C)C(N5C)=O)=O
1582,tametraline,1,CNC2CCC(c1ccccc1)c3ccccc23
1583,tamitinol,1,C1=C(C(=C(O)C(=N1)C)CNCC)CSC
1584,tamolarizine,1,C4=C(C(N2CCN(CC(C1=CC=C(C(=C1)OC)OC)O)CC2)C3=CC=CC=C3)C=CC=C4
1585,tampramine,1,CN(C)CCCN2c1ccccc1C(=Nc3cccnc23)c4ccccc4
1586,tandamine,1,C1=CC=CC2=C1C3=C([N]2CC)C(SCC3)(CCN(C)C)C
1587,tandospirone,1,[C@H]13[C@H]([C@H]2C[C@@H]1CC2)C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5.C(C(O)(C(=O)O)CC(=O)O)C(=O)O
1589,tasosartan,1,C3=C(CN2C1=NC(=NC(=C1CCC2=O)C)C)C=CC(=C3)C4=CC=CC=C4C5=N[NH]N=N5
1590,tazomeline,1,C(SC1=NSN=C1C2=CCCN(C2)C)CCCCC
1591,tefludazine,1,[C@@H]2(C3=C([C@H](C1=CC=C(C=C1)F)C2)C=CC(=C3)C(F)(F)F)N4CCN(CCO)CC4
1592,teflutixol,1,C1=C(C(F)(F)F)C=CC3=C1C(C2=C(C=C(F)C=C2)S3)CCCN4CCN(CCO)CC4
1593,tenilsetam,1,C2=C(C1C(NCCN1)=O)SC=C2
1594,tepirindole,1,C3=C(C1=CCN(CCC)CC1)C2=CC(=CC=C2[NH]3)Cl
1595,terguride,1,[C@@H]34C1=CC=CC2=C1C(=C[NH]2)C[C@H]3N(C[C@H](C4)NC(N(CC)CC)=O)C
1596,tetrabarbital,1,C(C1(C(CCC)CC)C(NC(=O)NC1=O)=O)C
1597,tetrabenazine(tetrabenzine),1,C1=C(OC)C(=CC3=C1C2N(CC(CC(C)C)C(C2)=O)CC3)OC
1598,tetrantoin,1,C1=CC=CC2=C1CC3(CC2)NC(=O)NC3=O
1599,thalidomide,1,C1=CC=CC3=C1C(N(C2C(NC(=O)CC2)=O)C3=O)=O
1601,thialbarbital,1,C(C2(C1CCCC=C1)C(NC(=S)NC2=O)=O)C=C
1602,thiamylal,1,C(C1(C(NC(=S)NC1=O)=O)C(CCC)C)C=C
1605,thioproperazine,1,C1=CC=CC2=C1N(C3=C(S2)C=CC(=C3)[S](N(C)C)(=O)=O)CCCN4CCN(CC4)C
1606,thozalinone(tozalinone),1,C1=CC=CC=C1C2OC(=NC2=O)N(C)C
1607,tiagabine,1,[C@@H]3(CN(CCC=C(C1=C(C=CS1)C)C2=C(C=CS2)C)CCC3)C(O)=O
1608,tianeptine,1,C1=CC(=CC2=C1C(C3=C(N(C)[S]2(=O)=O)C=CC=C3)NCCCCCCC(O)=O)Cl
1610,tifemoxone,1,C2=C(OCC1OC(NCC1)=S)C=CC=C2
1611,tilidine,1,[H+].C2=C(C1(C(N(C)C)C=CCC1)C(OCC)=O)C=CC=C2.[Cl-]
1612,timelotem,1,C1=C(F)C=CC2=C1N4C(CN=C2C3=CC=CS3)CN(C)CC4
1613,timiperone,1,C1=CC=CC4=C1N(C3CCN(CCCC(C2=CC=C(F)C=C2)=O)CC3)C(N4)=S
1614,timirdine,1,C2=C(N1C(SCC1)=N)C(=CC(=C2)Cl)N
1615,timobesone-acetate,1,[C@H]12[C@@](C(OC(=O)C)([C@H](C1)C)C(SC)=O)(C[C@H](O)C3(F)[C@H]2CCC4=CC(=O)C=C[C@]34C)C
1616,tinidazole,1,C1=C([N](CC[S](CC)(=O)=O)C(=N1)C)[N+](=O)[O-]
1617,tiomergine,1,C5=C2C1=C([NH]C=C1CC4C2=CC(CSC3=NC=CC=C3)CN4C)C=C5
1618,tioperidone,1,C4=C(N3CCN(CCCCN2C(C1=C(C=CC=C1)NC2=O)=O)CC3)C(=CC=C4)SCCC
1619,tiospirone,1,C2=C1C(=NSC1=CC=C2)N5CCN(CCCCN3C(CC4(CC3=O)CCCC4)=O)CC5
1620,tipredane,1,[C@]23([C@H]([C@H]1[C@]([C@@](SCC)(SC)CC1)(C)C[C@@H]2O)CCC4=CC(=O)C=C[C@]34C)F
1622,tixadil,1,C1=CC=CC=C1CC(C)NCCC3C2=C(C=CC=C2)SC4=C3C=CC=C4
1623,tixocortol,1,[C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C[C@@]3([C@](C(CS)=O)(O)CC4)C
1624,tixocortol-pivalate,1,[C@@H]23[C@H]([C@H]1[C@]([C@](C(CSC(C(C)(C)C)=O)=O)(O)CC1)(C)C[C@@H]2O)CCC4=CC(=O)CC[C@]34C
1625,tofenacin,1,C2=C(C(C1=CC=CC=C1)OCCNC)C(=CC=C2)C
1626,tofisopam,1,C1=C(OC)C(=CC2=C1C(=NN=C(C2CC)C)C3=CC=C(C(=C3)OC)OC)OC
1628,tolpiprazole,1,C1=C(C=CC=C1N3CCN(CCC2=N[NH]C(=C2)C)CC3)C
1629,tolquinzole,1,C1=C(C)C=CC2=C1C3N(CC2)CCC(C3)(CC)O
1630,tolufazepam,1,C1=C(Cl)C=CC2=C1C(=NCC(N2CC[S](C3=CC=C(C)C=C3)(=O)=O)=O)C4=CC=CC=C4Cl
1631,tonazocine,1,[C@]1([C@]2(C3=C(C[C@@H]1N(CC2)C)C=CC(=C3)O)C)(CCC(=O)CCCCC)C
1632,topiramate,1,[C@@]23([C@H]([C@H]1[C@H](OC(O1)(C)C)CO2)OC(O3)(C)C)CO[S](N)(=O)=O
1634,tralonide,1,[C@]12(OC(O[C@@H]1CC3C2(C[C@H](Cl)[C@@]4(Cl)C3C[C@H](F)C5=CC(=O)C=CC45C)C)(C)C)C(=O)CF
1635,tramadol,1,[C@H]1([C@](O)(CCCC1)C2=CC(=CC=C2)OC)CN(C)C.[H+].[Cl-]
1636,trebenzomine,1,C1=CC=CC2=C1CC(N(C)C)C(O2)C
1638,triamcinolone-benetonide,1,[C@@]45([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@H]4OC(O5)(C)C)C)C(COC(C(CNC(C6=CC=CC=C6)=O)C)=O)=O
1639,triamcinolone-furetonide,1,[C@@]45([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@H]4OC(O5)(C)C)C)C(COC(C6=CC7=C(O6)C=CC=C7)=O)=O
1640,tribromoethanol,1,BrCC(O)(Br)Br
1642,triclodazol,1,C3=C(C2(C1=CC=CC=C1)C(N(C(C(Cl)(Cl)Cl)O)CN2)=O)C=CC=C3
1644,triclonide,1,[C@H]23C([C@@]1(OC(O[C@@H]1C2)(C)C)C(=O)CCl)(C[C@H](Cl)[C@@]4(Cl)C3C[C@H](F)C5=CC(=O)C=CC45C)C
1645,trimetrexate,1,C1=C3C(=C(C(=C1)CNC2=CC(=C(C(=C2)OC)OC)OC)C)C(=NC(=N3)N)N
1646,trizoxime,1,C3=C2N(CC1=CC=CC=C1)C(=O)\C(NNC2=CC=C3)=C(\N)N=O
1648,tryptophan(l-tryptophan),1,N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O
1649,uldazepam,1,C1=C(Cl)C=CC2=C1C(=NCC(=N2)NOCC=C)C3=CC=CC=C3Cl
1650,umespirone,1,C4=C(N3CCN(CCCCN1C(C2C(C(C1=O)C(=O)N(C2=O)CCCC)(C)C)=O)CC3)C(=CC=C4)OC
1651,urethane,1,NC(=O)OCC
1652,valaciclovir,1,[C@@H](N)(C(OCCOC[N]1C2=C(N=C1)C(=O)N=C(N2)N)=O)C(C)C
1653,valdipromide,1,C(C(C(N)=O)(CCC)CCC)CC
1654,valganciclovir(RS790702),1,[C@@H](N)(C(OCC(OC[N]1C2=C(N=C1)C(=O)N=C(N2)N)CO)=O)C(C)C
1655,valproatepivoxil,1,C(C(C(OCOC(C(C)(C)C)=O)=O)CCC)CC
1656,valtrate,1,[C@@]13([C@@H]2C(=C[C@@H]1OC(CC(C)C)=O)C(=CO[C@H]2OC(CC(C)C)=O)COC(C)=O)CO3
1657,velnacrine,1,C1=CC=CC2=C1C(=C3C(=N2)CCCC3O)N
1658,venlafaxine,1,C1=CC(=CC=C1C(C2(CCCCC2)O)CN(C)C)OC
1659,veralipride,1,C1=C([S](N)(=O)=O)C=C(C(=C1C(NCC2N(CCC2)CC=C)=O)OC)OC
1660,vigabatrin,1,C(C(C=C)N)CC(O)=O
1661,viloxazine,1,C1=CC=CC(=C1OCC2CNCCO2)OCC
1662,vinyl-ether,1,C(=C)OC=C
1663,vitamine(alpha-tocopherol),1,[C@]2(OC1=C(C(=C(C(=C1CC2)C)O)C)C)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C
1664,xaliproden,1,C1=C(C(F)(F)F)C=CC=C1C2=CCN(CC2)CCC4=CC3=CC=CC=C3C=C4
1665,xanthiol,1,OCCCN4CCN(CCCC2c1ccccc1Sc3ccc(Cl)cc23)CC4
1666,xorphanol,1,[C@]135[C@H]([C@H](N(CC1)CC2CCC2)CC4=C3C=C(O)C=C4)[C@H](CC(C5)=C)C
1667,xylazine,1,C1=C(C(=C(C=C1)C)NC2=NCCCS2)C
1668,zafuleptine,1,C1=CC(=CC=C1CNC(C(C)C)CCCCCC(O)=O)F
1669,zalospirone,1,[C@H]14[C@H]([C@@H]2[C@@H]3[C@H]([C@H]1C=C2)C=C3)C(=O)N(C4=O)CCCCN6CCN(C5=NC=CC=N5)CC6
1670,zetidoline,1,C1=C(C=CC=C1N3C(N(CCN2CC(C)(C)C2)CC3)=O)Cl
1671,ziprasidone,1,C1=CC=CC2=C1C(=NS2)N5CCN(CCC4=CC3=C(NC(C3)=O)C=C4Cl)CC5
1672,zolazepam,1,C1=CC=CC(=C1C2=NCC(N(C3=C2C(=N[N]3C)C)C)=O)F
1674,zoniclezole,1,C1=C(Cl)C=CC2=C1C(=NO2)C([N]3C=CN=C3)C
1675,zopiclone,1,C1=CC(=CN=C1N2C(C3=C(C2=O)N=CC=N3)OC(N4CCN(C)CC4)=O)Cl
1676,zotepine,1,C1=C(Cl)C=CC2=C1C(=CC3=C(S2)C=CC=C3)OCCN(C)C
1678,aceprometazine,1,C1=CC2=C(C=C1)SC3=C(N2CC(C)N(C)C)C=C(C=C3)C(=O)C
1680,albutoin,1,C(N1C(C(CC(C)C)NC1=S)=O)C=C
1681,alclometasone,1,[C@H]24[C@H]1[C@@]([C@](O)([C@@H](C1)C)C(=O)CO)(C[C@H](O)[C@@H]2[C@@]3(C(=CC(=O)C=C3)C[C@H]4Cl)C)C
1682,aletamine(alfetamine),1,C1=C(CC(CC=C)N)C=CC=C1
1684,alimemazine,1,C1=CC=CC3=C1N(C2=C(C=CC=C2)S3)CC(CN(C)C)C
1685,alpertine,1,C1=C(OC)C(=CC2=C1C(=C(C(OCC)=O)[NH]2)CCN4CCN(C3=CC=CC=C3)CC4)OC
1686,alphaprodine(betaprodine),1,C2=C(C1(C(CN(C)CC1)C)OC(CC)=O)C=CC=C2
1687,alpidem,1,C3=C(C1=C([N]2C(=N1)C=CC(=C2)Cl)CC(N(CCC)CCC)=O)C=CC(=C3)Cl
1688,amebucort,1,[C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)[C@H](C2)C)C)[C@H](C3)O)CC4)C)(C(COC(C)=O)=O)OC(CCC)=O
1690,amfonelic-acid,1,C1=CC(=NC2=C1C(C(=CN2CC)C(O)=O)=O)CC3=CC=CC=C3
1693,aminopromazine,1,C1=CC=CC3=C1N(C2=C(C=CC=C2)S3)CC(CN(C)C)N(C)C
1694,amiperone,1,C1=CC(=CC=C1C3(CCN(CCCC(C2=CC=C(F)C=C2)=O)CC3)C(N(C)C)=O)Cl
1696,anisopirol,1,C3=C(N2CCN(CCCC(C1=CC=C(F)C=C1)O)CC2)C(=CC=C3)OC
1697,aptazapine,1,[N]12C(=CC=C1)C4N(C3=C(C2)C=CC=C3)CCN(C4)C.O=C(O)\C=C/C(=O)O
1698,arfendazam,1,C1=C(Cl)C=CC3=C1N(C2=CC=CC=C2)C(CCN3C(OCC)=O)=O
1700,atibeprone,1,C2=C(OCC1=NN=C(S1)C(C)C)C=CC3=C2OC(=O)C(=C3C)C
1701,atropine(hyoscyamine),1,C1=CC=CC=C1C(C(OC2CC3N(C)C(C2)CC3)=O)CO
1702,bazinaprine,1,C1=C(C(=NN=C1C2=CC=CC=C2)NCCN3CCOCC3)C#N
1703,beclomethasonedipropionate(beclometasone-dipropionate),1,[C@@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(Cl)[C@H](C3)O)C[C@@H]4C)C)(C(COC(CC)=O)=O)OC(CC)=O
1706,benmoxin,1,C2=C(C(NNC(C1=CC=CC=C1)=O)C)C=CC=C2
1707,benzobarbital,1,C1=CC=CC=C1C3(C(N(C(C2=CC=CC=C2)=O)C(=O)NC3=O)=O)CC
1708,benzoclidine,1,C3=C(C(OC1C2CCN(C1)CC2)=O)C=CC=C3
1710,benzphetamine(benzfetamine),1,C1=CC(=CC=C1)CC(N(C)CC2=CC=CC=C2)C
1711,besipirdine,1,[H+].C1=CC3=C([N]1N(C2=CC=NC=C2)CCC)C=CC=C3.[Cl-]
1712,betamethadol,1,C2=C(C(CC(N(C)C)C)(C(CC)O)C1=CC=CC=C1)C=CC=C2
1713,betamethasone-acetate(dexamethasone-acetate),1,[C@@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@@H]4C)C)(C(COC(C)=O)=O)OC(C(C)C)=O
1714,betamethasone-dipropionate(dexamethasone-dipropionate),1,[C@H]34[C@H]2[C@@]([C@@]1(C(=CC(=O)C=C1)CC2)C)([C@@H](O)C[C@@]3([C@](C(COC(C)=O)=O)(O)[C@H](C4)C)C)F
1715,betamethasone-valerate,1,[C@@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@@H]4C)C)(C(COC(CC)=O)=O)OC(CC)=O
1716,bifemelane,1,[H+].C2=C(CC1=CC=CC=C1)C(=CC=C2)OCCCCNC.[Cl-]
1717,binedaline,1,C2=C(C1=C(C=CC=C1)[N]2N(CCN(C)C)C)C3=CC=CC=C3
1718,brallobarbital,1,C(C1(C(NC(=O)NC1=O)=O)CC=C)C(=C)Br
1719,brifentanil,1,[C@@H]3(N(C1=C(C=CC=C1)F)C(COC)=O)[C@@H](CN(CCN2C(N(CC)N=N2)=O)CC3)C
1720,brofaromine,1,C2=C(C1CCNCC1)OC3=C2C=C(OC)C=C3Br
1721,bromamid,1,C1=CC(=CC=C1NCCC(N(C)C)=O)Br
1722,bromodiphenhydramine(bromazine),1,C2=C(C(OCCN(C)C)C1=CC=CC=C1)C=CC(=C2)Br
1723,bromopride,1,C1=C(Br)C(=CC(=C1C(NCCN(CC)CC)=O)OC)N
1725,budesonide,1,[C@@]45([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)C[C@H]4OC(O5)CCC)C)C(CO)=O
1726,budipine,1,C1=CC=CC=C1C3(C2=CC=CC=C2)CCN(C(C)(C)C)CC3
1727,bufenadrine,1,C2=C(C(C1=CC=CC=C1)OCCN(C)C)C(=CC=C2)C(C)(C)C
1728,buspirone,1,C1=NC(=NC=C1)N4CCN(CCCCN2C(CC3(CC2=O)CCCC3)=O)CC4
1729,butalbital,1,C(C1(C(NC(=O)NC1=O)=O)CC=C)C(C)C
1730,butamoxane,1,C1=CC=CC2=C1OC(CNCCCC)CO2
1731,butriptyline,1,C1=CC=CC3=C1C(C2=CC=CC=C2CC3)CC(CN(C)C)C
1732,carbenzide,1,C1=CC=CC=C1C(NNC(OCC)=O)C
1733,carbocloral,1,C(OC(NC(C(Cl)(Cl)Cl)O)=O)C
1734,carbromal,1,C(C(C(NC(N)=O)=O)(CC)Br)C
1737,carvotroline,1,C1=C(F)C=CC2=C1C3=C([NH]2)CCN(C3)CCC4=CC=NC=C4
1738,cericlamine,1,[H+].C1=C(CC(N(C)C)(CO)C)C=CC(=C1Cl)Cl.[Cl-]
1739,chlorcyclizine,1,C3=C(C(N1CCN(C)CC1)C2=CC=CC=C2)C=CC(=C3)Cl
1740,chlorobutanol,1,ClC(CCC)O
1741,chloroprednisone,1,[C@H]24[C@H]1[C@@]([C@](C(COC(C)=O)=O)(O)CC1)(CC([C@@H]2[C@@]3(C(=CC(=O)C=C3)[C@H](C4)Cl)C)=O)C
1742,chloroserpidine,1,[C@@H]36C2=C(C1=CC(=CC=C1[NH]2)Cl)CCN3C[C@H]5C[C@@H](OC(C4=CC(=C(C(=C4)OC)OC)OC)=O)[C@@H]([C@H]([C@H]5C6)C(OC)=O)OC
1743,chlorphenesin-carbamate,1,C1=CC(=CC=C1OCC(COC(N)=O)O)Cl
1744,chlorphenoxamine,1,C2=C(C(C1=CC=CC=C1)(OCCN(C)C)C)C=CC(=C2)Cl
1745,chlorthenoxazine,1,C1=C2C(=CC=C1)OC(CCCl)NC2=O
1746,cianopramine,1,C1=C(C#N)C=CC3=C1N(C2=C(C=CC=C2)CC3)CCCN(C)C
1747,ciclazindol,1,C1=CC=CC2=C1C(C3=NCCCN23)(C4=CC=CC(=C4)Cl)O
1749,cidoxepin,1,CN(C)CCC=C2c1ccccc1COc3ccccc23
1750,ciladopa,1,[C@@H](CN2CCN(C1=CC=CC=CC1=O)CC2)(C3=CC(=C(OC)C=C3)OC)O
1752,cinitapride,1,C1=C(C(=CC(=C1[N+](=O)[O-])N)OCC)C(NC3CCN(CC2CCC=CC2)CC3)=O
1753,cinperene,1,C1=CC=CC=C1C4(C3CCN(C\C=C\C2=CC=CC=C2)CC3)C(NC(=O)CC4)=O
1754,cinromide,1,C1=C(C=CC=C1Br)\C=C\C(NCC)=O
1756,cinuperone,1,C3=C(N2CCN(CCCC(C1=CC=C(F)C=C1)=O)CC2)N=CC4=CC=CC=C34
1758,citenamide,1,C1=CC=CC3=C1C(C2=C(C=CC=C2)C=C3)C(N)=O
1759,clazolam,1,C1=C(Cl)C=CC4=C1C3C2=CC=CC=C2CCN3CC(=O)N4C
1760,clemeprol,1,C1=CC=CC(=C1)C(C(CN(C)C)O)C2=CC=C(C=C2)Cl
1761,climazolam,1,C1=CC(=CC3=C1[N]2C(=CN=C2C)CN=C3C4=CC=CC=C4Cl)Cl
1762,clobetasol,1,[C@@]23(F)C(C1C([C@](O)(C(C1)C)C(=O)CCl)(CC2O)C)CCC4=CC(=O)C=CC34C
1763,clobetasol-propionate,1,[C@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@@H]4C)C)(OC(CC)=O)C(CCl)=O
1765,clomacran,1,C1=C(Cl)C=CC3=C1C(C2=C(C=CC=C2)N3)CCCN(C)C
1767,clothiapine(clotiapine),1,C1=C(Cl)C=CC2=C1C(=NC3=C(S2)C=CC=C3)N4CCN(CC4)C
1769,cloxazolam,1,C1=C(Cl)C=CC3=C1C2(OCCN2CC(=O)N3)C4=C(Cl)C=CC=C4
1770,cloxypendyl,1,C1=C(Cl)C=NC2=C1SC4=C(N2CCCN3CCN(CCO)CC3)C=CC=C4
1771,cormethasoneacetate(cormetasone-acetate),1,CC4CC3C2CC(F)(F)C1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)COC(C)=O
1774,cyclazodone,1,C3=C(C1OC(=NC1=O)NC2CC2)C=CC=C3
1775,cypenamine,1,C2=C(C1C(CCC1)N)C=CC=C2
1776,cyprazepam,1,C4=C(C2=C3C(=NC(=NCC1CC1)CN2O)C=CC(=C3)Cl)C=CC=C4
1778,daledalin,1,C1=CC=CC3=C1N(C2=CC=CC=C2)CC3(CCCNC)C
1779,damotepine,1,C1=CC=CC3=C1SC2=C(C=CC=C2)C=C3CN(C)C
1780,danitracen,1,C1=CC=CC3=C1C(C2=C(C=CC=C2)C3O)=C4CCN(C)CC4
1781,dapoxetine,1,[C@H](CCOC1=CC=CC2=CC=CC=C12)(C3=CC=CC=C3)N(C)C
1782,darvon(dextropropoxypheneandlevopropoxyphene),1,[C@](OC(=O)CC)([C@@H](CN(C)C)C)(CC1=CC=CC=C1)C2=CC=CC=C2.[H+].[Cl-]
1783,dazepinil,1,CN2C(Cc1ccccc1N=C2C)c3ccccc3
1784,declenperone,1,C1=CC=CC2=C1N(C(=O)N2)CCCN4CCC(C(C3=CC=C(F)C=C3)=O)CC4
1785,deflazacort,1,[C@@]45([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)C[C@H]4OC(=N5)C)C)C(COC(C)=O)=O
1786,delergotrile,1,[C@@H]34CC1=C[NH]C2=CC=CC(=C12)C3C[C@@H](CN4C)CC#N
1790,depramine,1,C1=CC=CC2=C1N(C3=C(C=C2)C=CC=C3)CCCN(C)C
1791,desflurane,1,O(C(C(F)(F)F)F)C(F)F
1792,desomorphine,1,C1=CC(=C3C2=C1CC5C4C2(C(O3)CCC4)CCN5C)O
1793,dexclamol,1,[C@H]15C3=C(CCC2=C1C=CC=C2)C=CC=C3[C@H]4C[C@](C(C)C)(O)CCN4C5
1795,dextrorphan,1,[C@]134[C@@H]([C@H](CC2=C1C=C(O)C=C2)N(C)CC3)CCCC4
1797,dezocine,1,CC13CCCCCC(Cc2ccc(O)cc12)C3N
1798,diacetylnalorphine,1,C1=CC(=C3C2=C1CC5C4C2(C(O3)C(C=C4)OC(C)=O)CCN5CC=C)OC(C)=O
1799,dibenzepin,1,C1=CC=CC2=C1N(C(C3=C(N2C)C=CC=C3)=O)CCN(C)C
1801,dichlormezanone,1,C2=C(C1[S](CCC(N1C)=O)(=O)=O)C=CC(=C2Cl)Cl
1803,diethazine,1,C1=CC=CC3=C1N(C2=C(C=CC=C2)S3)CCN(CC)CC
1804,difencloxazine,1,Clc1ccc(cc1)C(OCCN2CCOCC2)c3ccccc3
1805,diflorasone-diacetate,1,[C@@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)[C@H](C2)F)C)(F)[C@H](C3)O)C[C@@H]4C)C)(C(COC(C)=O)=O)OC(C)=O
1808,dimeprozan,1,C3=CC1=C(C(/C2=C(O1)C=CC=C2)=C/CCN(C)C)C=C3OC
1810,dimetacrine,1,C1=CC=CC3=C1N(C2=C(C=CC=C2)C3(C)C)CCCN(C)C
1811,dinazafone,1,C1=C(C(=CC=C1Cl)N(C(CNCC(C)=C)=O)C)C(C2=CC=CC=C2)=O
1812,doliracetam,1,C1=CC=CC2=C1C(C(N2CC(N)=O)=O)C3=CC=CC=C3
1813,dosulepin,1,[H+].C3=C2\C(C1=CC=CC=C1SCC2=CC=C3)=C\CCN(C)C.[Cl-]
1815,doxenitoin,1,C3=C(C2(C1=CC=CC=C1)C(NCN2)=O)C=CC=C3
1816,doxibetasol,1,[C@H]34[C@H]2[C@@](F)([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)([C@H](C4)C)C(=O)C)C
1817,drocinonide,1,[C@H]23C([C@@]1(OC(O[C@@H]1C2)(C)C)C(=O)CO)(C[C@H](O)[C@@]4(F)C3CCC5C4(CCC(=O)C5)C)C
1818,dulozafone,1,C1=C(C(=CC=C1Cl)N(C(CN(CCO)CCO)=O)C)C(C2=C(C=CC=C2)Cl)=O
1819,enpiprazole,1,C1=CC=CC(=C1N3CCN(CCC2=C[N](C)N=C2)CC3)Cl
1820,enprazepine,1,C1=CC=CC2=C1N(CC3=C(C2=C)C=CC=C3)CCCN(C)C
1821,eprobemide,1,C1=CC(=CC=C1C(NCCCN2CCOCC2)=O)Cl
1822,eptazocine,1,C1=C(O)C=CC3=C1C2(CC(CN(CC2)C)C3)C
1823,eterobarb,1,C2=C(C1(C(N(C(=O)N(C1=O)COC)COC)=O)CC)C=CC=C2
1824,ethotoin,1,C1=CC=CC=C1C2C(N(CC)C(N2)=O)=O
1825,ethyl-chloride,1,C1=C(Cl)C=CC2=C1C(=NC(C(=O)N2)C(OCC)=O)C3=CC=CC=C3F
1826,etizolam,1,C1=C(SC2=C1C(=NCC3=NN=C([N]23)C)C4=CC=CC=C4Cl)CC
1828,etryptamine,1,C1=CC=CC2=C1C(=C[NH]2)CC(CC)N
1829,fenaclon,1,C1=CC=CC=C1CCNC(CCCl)=O
1830,fenadiazole,1,O=C2\C(=C1\OC=NN1)C=CC=C2
1832,fletazepam,1,C1=C(Cl)C=CC2=C1C(=NCCN2CC(F)(F)F)C3=CC=CC=C3F
1833,fluanisone,1,C1=CC=CC(=C1N3CCN(CCCC(C2=CC=C(F)C=C2)=O)CC3)OC
1834,flucindol,1,CN(C)C3CCc2[nH]c1c(F)cc(F)cc1c2C3
1835,fluciprazine,1,C1=CC(=CC=C1N3CCN(CC(O)COC2(CCCCC2)C#C)CC3)F
1836,fludiazepam,1,C1=C(Cl)C=CC2=C1C(=NCC(=O)N2C)C3=CC=CC=C3F
1837,flumethasone(flumetasoneanddiflorasone),1,[C@H]23[C@@]([C@@]1(C(=CC(=O)C=C1)[C@H](C2)F)C)([C@H](C[C@]4([C@H]3C[C@@H](C)[C@@]4(C(CO)=O)O)C)O)F
1840,flunisolide-acetate,1,[C@]12(OC(O[C@@H]1CC3C2(CC(O)[C@H]4C3C[C@H](F)C5=CC(=O)C=CC45C)C)(C)C)C(=O)COC(=O)C
1842,fluocinolone-acetonide,1,[C@@]45([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)[C@H](C2)F)C)(F)[C@H](C3)O)C[C@H]4OC(O5)(C)C)C)C(CO)=O
1843,fluocortin-butyl,1,[C@H]24[C@H]1[C@@]([C@@H](C(C(OCCCC)=O)=O)[C@@H](C1)C)(C[C@@H]([C@@H]2[C@@]3(C(=CC(=O)C=C3)[C@H](C4)F)C)O)C
1844,fluocortolone,1,[C@H]24[C@H]1[C@@]([C@@H](C(CO)=O)[C@@H](C1)C)(C[C@@H]([C@@H]2[C@@]3(C(=CC(=O)C=C3)[C@H](C4)F)C)O)C
1845,fluorometholone,1,[C@]23([C@H]([C@H]1[C@]([C@](C(C)=O)(O)CC1)(C)C[C@@H]2O)C[C@H](C)C4=CC(=O)C=C[C@]34C)F
1846,fluperlapine,1,C1=CC=CC3=C1C(=NC2=C(C=CC(=C2)F)C3)N4CCN(C)CC4
1847,fluperolone(fluperolone-acetate),1,[C@H]23[C@@]([C@@]1(C(=CC(=O)C=C1)CC2)C)([C@H](C[C@]4([C@H]3CC[C@@]4(C([C@@H](OC(C)=O)C)=O)O)C)O)F
1848,fluprednidene,1,[C@]34([C@H]([C@H]2[C@@]([C@@]1(C(=CC(C=C1)=O)CC2)C)(C(C3)O)F)CC([C@@]4(C(=O)CO)O)=C)C
1849,fluprednisolone,1,[C@H]24[C@H]1[C@@]([C@](C(CO)=O)(O)CC1)(C[C@@H]([C@@H]2[C@@]3(C(=CC(=O)C=C3)[C@H](C4)F)C)O)C
1850,fluprednisolone-valerate,1,[C@@]4(OC(=O)CCCC)(C3(C(C2C(C1(C(=CC(=O)C=C1)C(F)C2)C)C(O)C3)CC4)C)C(=O)CO
1852,flurandrenolide(fludroxycortide),1,[C@@]45([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)[C@H](C2)F)C)[C@H](C3)O)C[C@H]4OC(O5)(C)C)C)C(CO)=O
1855,furfenorex,1,C1=CC=CC=C1CC(N(CC2=CC=CO2)C)C
1856,galantamine,1,[C@]234C1=C(C=CC(=C1O[C@H]2C[C@@H](O)C=C3)OC)CN(CC4)C
1857,gamfexine,1,C2=C(C(C1CCCCC1)CCN(C)C)C=CC=C2
1858,guanoxyfen,1,NC(=N)NCCCOc1ccccc1
1859,halazepam,1,C1=C(Cl)C=CC2=C1C(=NCC(=O)N2CC(F)(F)F)C3=CC=CC=C3
1860,halometasone,1,[C@H]23[C@@]([C@@]1(C(=CC(C(=C1)Cl)=O)[C@H](C2)F)C)([C@H](C[C@]4(C3C[C@H]([C@@]4(C(CO)=O)O)C)C)O)F
1861,heptabarb,1,C(C2(C1=CCCCCC1)C(NC(=O)NC2=O)=O)C
1862,hepzidine,1,C1=CC=CC2=C1C(C3=C(CC2)C=CC=C3)OC4CCN(C)CC4
1863,homochlorcyclizine,1,C1=CC(=CC=C1C(N2CCN(C)CCC2)C3=CC=CC=C3)Cl
1864,homofenazine(homophenazine),1,C1=C(C(F)(F)F)C=CC3=C1N(C2=C(C=CC=C2)S3)CCCN4CCN(CCO)CCC4
1865,hydrocortisone-acetate,1,[C@]34([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@H](C3)O)CC[C@@]4(C(COC(C)=O)=O)O)C
1866,hydrocortisone-buteprate,1,[C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@H](C3)O)CC4)C)(C(COC(CC)=O)=O)OC(CCC)=O
1867,hydrocortisone-butyrate,1,[C@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@H](C3)O)CC4)C)(OC(CCC)=O)C(CO)=O
1868,hydromorphone,1,[C@@]125C3=C4C[C@H]([C@@H]1CCC([C@@H]2OC3=C(C=C4)O)=O)N(C)CC5
1869,hydroxypethidine,1,C2=C(C1(C(OCC)=O)CCN(C)CC1)C=CC=C2O
1870,icometasone-enbutate,1,[C@@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(Cl)[C@H](C3)O)C[C@H]4C)C)(C(COC(C)=O)=O)OC(CCC)=O
1872,indalpine,1,C1=CC=CC2=C1C(=C[NH]2)CCC3CCNCC3
1873,intriptyline,1,CN(C)CC#CC=C2c1ccccc1C=Cc3ccccc23
1874,iprindole,1,C1=CC=CC3=C1C2=C(CCCCCC2)[N]3CCCN(C)C
1875,iproniazid,1,C1=CN=CC=C1C(NNC(C)C)=O
1876,isomethadone,1,C1=CC=CC=C1C(C2=CC=CC=C2)(C(CN(C)C)C)C(CC)=O
1878,isothamine(profenamine),1,C1=CC=CC3=C1N(C2=C(C=CC=C2)S3)CC(N(CC)CC)C
1879,ketipramine(ketimipramine),1,C1=CC=CC2=C1N(C3=C(CC2=O)C=CC=C3)CCCN(C)C
1880,ketorfanol,1,[C@]235[C@H]([C@H](N(CC1CC1)CC2)CC4=C3C(=CC=C4)O)CCC(C5)=O
1882,levomepromazine,1,[C@H](CN1C3=C(SC2=C1C=CC=C2)C=CC(=C3)OC)(CN(C)C)C
1883,levoprotiline(oxaprotiline),1,C13(C4=C(C(C2=C1C=CC=C2)CC3)C=CC=C4)C[C@H](CNC)O
1884,lirequinil,1,[C@H]5(CN(C(C3=C2C1=CC(=CC=C1CCN2C(=O)C(=C3)C4=CC=CC=C4)Cl)=O)CC5)OCC
1885,litoxetine,1,C2=C(COC1CCNCC1)C=CC3=C2C=CC=C3
1887,lodaxaprine,1,C1=CC(=NN=C1C2=C(Cl)C=CC=C2)N3CCC(O)CC3
1888,lorcinadol,1,C3=C(N2CCN(C\C=C\C1=CC=CC=C1)CC2)N=NC(=C3)Cl
1891,maroxepin,1,C1=CC=CC3=C1C4=C(C2=C(C=CC=C2)O3)CCN(CC4)C
1892,mazapertine,1,C3=C(CN2CCN(C1=C(OC(C)C)C=CC=C1)CC2)C=CC=C3C(=O)N4CCCCC4.C(C(=O)O)CC(=O)O
1893,medifoxamine,1,C2=C(OC(OC1=CC=CC=C1)CN(C)C)C=CC=C2
1894,mefeclorazine,1,C1=CC(=CC(=C1OC)OC)CCN2CCN(CC2)C3=CC(=CC=C3)Cl
1895,menitrazepam,1,C1=C([N+](=O)[O-])C=CC2=C1C(=NCC(N2C)=O)C3=CCCCC3
1896,mephenytoin,1,C2=C(C1(C(N(C)C(N1)=O)=O)CC)C=CC=C2
1898,mepiprazole,1,C1=C(C=CC=C1N3CCN(CCC2=N[NH]C(=C2)C)CC3)Cl
1900,metaclazepam,1,C1=C(Br)C=CC2=C1C(=NCC(N2C)COC)C3=CC=CC=C3Cl
1901,metamfepramone,1,C1=CC=CC(=C1)C(=O)C(C)N(C)C
1902,metapramine,1,C1=CC=CC2=C1C(CC3=C(N2C)C=CC=C3)NC
1903,metaxalone,1,C1=C(C=C(C=C1OCC2CNC(O2)=O)C)C
1904,metazocine,1,C1=CC(=CC2=C1CC3C(C2(CCN3C)C)C)O
1905,metetoin,1,C1=CC=CC=C1C2(N(C(=O)NC2=O)C)CC
1906,methadone(levomethadone),1,C1=CC=CC=C1C(C2=CC=CC=C2)(C(CC)=O)CC(N(C)C)C
1908,methiomeprazine(levometiomeprazine),1,C1=C(SC)C=CC3=C1N(C2=C(C=CC=C2)S3)CC(CN(C)C)C
1909,methsuximide(mesuximide),1,C2=C(C1(C(N(C)C(C1)=O)=O)C)C=CC=C2
1910,methylprednisolone,1,[C@H]24[C@H]1[C@@]([C@](C(CO)=O)(O)CC1)(C[C@@H]([C@@H]2[C@@]3(C(=CC(=O)C=C3)[C@H](C4)C)C)O)C
1911,methylprednisolone-aceponate,1,[C@H]24[C@H]1[C@@]([C@](C(COC(C)=O)=O)(O)CC1)(C[C@@H]([C@@H]2[C@@]3(C(=CC(=O)C=C3)[C@H](C4)C)C)O)C
1913,metitepine(methiothepin),1,C1=C(SC)C=CC4=C1C(N2CCN(C)CC2)CC3=C(C=CC=C3)S4
1914,metomidate,1,C1=NC=C([N]1C(C2=CC=CC=C2)C)C(=O)OC
1915,mezepine,1,C1=CC=CC2=C1N(CC3=C(C2)C=CC=C3)CCCNC
1916,midazolam(midazolammaleate),1,C1=CC(=CC3=C1[N]2C(=CN=C2C)CN=C3C4=CC=CC=C4F)Cl
1917,milenperone,1,C1=CC(=CC2=C1N(C(=O)N2)CCCN4CCC(C(C3=CC=C(F)C=C3)=O)CC4)Cl
1918,milipertine,1,C1=C(OC)C(=CC2=C1C(=C(C)[NH]2)CCN4CCN(C3=CC=CC=C3OC)CC4)OC
1919,milnacipran,1,[C@]1([C@H](C1)CN)(C(=O)N(CC)CC)C2=CC=CC=C2.[H+].[Cl-]
1920,mindoperone,1,C1=CC(=CC2=C1C(=C([NH]2)C)C4CCN(CCCC(C3=CC=C(F)C=C3)=O)CC4)OC
1921,mirfentanil,1,C1=NC=CN=C1N(C3CCN(CCC2=CC=CC=C2)CC3)C(C4=CC=CO4)=O
1922,modaline,1,C1=CN=C(C(=N1)N2CCCCC2)C
1923,mofegiline,1,C1=C(CC\C(CN)=C/F)C=CC(=C1)F
1924,molindone,1,C(C1=C(C)[NH]C3=C1C(C(CN2CCOCC2)CC3)=O)C
1925,nafenodone(dexnafenodone),1,[C@]3(C1=CC=CC=C1)(C(C2=C(C=CC=C2)CC3)=O)CCN(C)C
1927,naranol,1,C1=C4C(=C2C(=C1)C=CC=C2)CC3CN(C)CC(C3(O4)O)C
1929,nebracetam,1,C1=CC=CC=C1CN2C(CC(C2)CN)=O
1930,nefopam,1,C1=CC=CC3=C1C(C2=CC=CC=C2)OCCN(C3)C
1931,nemonapride,1,[C@H]2(NC(=O)C1=C(OC)C=C(NC)C(=C1)Cl)[C@H](N(CC2)CC3=CC=CC=C3)C
1932,nerisopam,1,C2=C1C(=NN=C(CC1=CC(=C2OC)OC)C)C3=CC=C(N)C=C3
1934,nonaperone,1,C1=CC(=CC=C1C(CCCN2CC3CCC(C2)CC3)=O)F
1935,norcodeine,1,C1=CC(=C3C2=C1CC5C4C2(C(O3)C(O)C=C4)CCN5)OC
1936,normethadone,1,C2=C(C(C1=CC=CC=C1)(CCN(C)C)C(CC)=O)C=CC=C2
1937,ocfentanil,1,C3=C(N(C2CCN(CCC1=CC=CC=C1)CC2)C(COC)=O)C(=CC=C3)F
1938,odapipam,1,[C@@H]4(C1=CC=CC2=C1OCC2)C3=CC(=C(Cl)C=C3CCN(C4)C)O.CC(=O)O
1939,olanzapine,1,C1=C3C(=CC=C1)N=C2SC(=CC2=C(N3)N4CCN(CC4)C)C
1940,opipramol,1,C1=CC=CC2=C1N(C3=C(C=C2)C=CC=C3)CCCN4CCN(CCO)CC4
1944,oxomemazine,1,C1=CC=CC3=C1N(C2=C(C=CC=C2)[S]3(=O)=O)CC(CN(C)C)C
1946,oxyridazine,1,C1=C(OC)C=CC3=C1N(C2=C(C=CC=C2)S3)CCC4N(CCCC4)C
1947,paracetamol(acetaminophen),1,N(C(=O)C)C1=CC=C(O)C=C1
1948,paramethadione,1,C(C)C1(C)C(=O)N(C(O1)=O)C
1949,paramethasone,1,[C@]12(C(=CC(C=C1)=O)[C@H](C[C@H]3[C@H]4[C@](C[C@@H]([C@H]23)O)([C@](C(=O)CO)(O)[C@@H](C4)C)C)F)C
1951,paraxazone,1,C1=CC=CC2=C1N(C(CO2)=O)CC(N)=O
1952,penciclovir,1,C1=NC2=C([N]1CCC(CO)CO)NC(=NC2=O)N
1953,pentamoxane,1,CC(C)CCNCC2COc1ccccc1O2
1954,pentylenetetrazole(pentetrazol),1,C2C1=NN=N[N]1CCCC2
1955,periciazine,1,C1=C(C=CC3=C1N(CCCN2CCC(CC2)O)C4=C(S3)C=CC=C4)C#N
1956,perimetazine,1,C1=C(OC)C=CC3=C1N(C2=C(C=CC=C2)S3)CC(CN4CCC(O)CC4)C
1957,perisoxal,1,C2=C(C1=CC=CC=C1)ON=C2C(CN3CCCCC3)O
1958,phacetoperane,1,CC(=O)OC(C1CCCCN1)c2ccccc2
1959,phenaglycodol,1,C1=C(C(C(C)(C)O)(C)O)C=CC(=C1)Cl
1960,phendimetrazine,1,[C@H]2(C1=CC=CC=C1)[C@@H](N(CCO2)C)C
1961,phenelzine,1,[Cl].C1=CC=CC=C1CCNN
1962,pheniprazine,1,C1=CC=CC=C1CC(NN)C
1963,phenomorphan,1,C1=C(O)C=CC4=C1C35C(C(N(CCC2=CC=CC=C2)CC3)C4)CCCC5
1964,pimethixene,1,C1=CC=CC3=C1C(C2=C(C=CC=C2)S3)=C4CCN(C)CC4
1965,piminodine,1,C3=C(C1(C(OCC)=O)CCN(CC1)CCCNC2=CC=CC=C2)C=CC=C3
1966,pinazepam,1,C1=C(Cl)C=CC2=C1C(=NCC(N2CC#C)=O)C3=CC=CC=C3
1967,pipotiazine,1,C1=C([S](N(C)C)(=O)=O)C=CC3=C1N(C2=C(C=CC=C2)S3)CCCN4CCC(CCO)CC4
1968,pipradrol,1,C1=C(C=CC=C1)C(C2=CC=CC=C2)(C3NCCCC3)O
1969,piribedil,1,C4Oc3ccc(CN1CCN(CC1)c2ncccn2)cc3O4
1970,pizotifen,1,C1=CSC2=C1C(C3=C(CC2)C=CC=C3)=C4CCN(CC4)C
1971,prazepine,1,C1=CC=CC2=C1N(C3=C(CC2)C=CC=C3)CCCN(C)C
1972,prednisolone-acetate,1,[C@]34([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)CC[C@@]4(C(COC(C)=O)=O)O)C
1973,prednisolone-hemisuccinate,1,[C@]14([C@@](C(=O)COC(CCC(=O)[O-])=O)(CC[C@H]1[C@@H]3CCC2=CC(C=C[C@@]2([C@H]3[C@H](C4)O)C)=O)O)C.[Na+]
1974,prednival,1,C(C)CCC(=O)OC3(CCC4C2CCC1=CC(=O)C=CC1(C)C2C(O)CC34C)C(=O)CO
1975,premazepam,1,C1=C2C(=C([N]1C)C)C(=NCC(N2)=O)C3=CC=CC=C3
1977,procinonide,1,[C@@]23(F)C1(C(=CC(=O)C=C1)[C@@H](F)CC2C5C(CC3O)([C@]4(C(=O)COC(=O)CC)OC(O[C@@H]4C5)(C)C)C)C
1979,promethazine,1,C1=CC=CC2=C1N(C3=C(S2)C=CC=C3)CC(C)N(C)C
1980,propoxate,1,C1=NC=C([N]1C(C2=CC=CC=C2)C)C(OCCC)=O
1982,prothipendyl,1,C1=CC=CC2=C1N(C3=C(S2)C=CC=N3)CCCN(C)C
1984,pyrovalerone,1,C2=C(C(C(N1CCCC1)CCC)=O)C=CC(=C2)C
1985,quinupramine,1,C1=CC=CC4=C1N(C2C3CCN(C2)CC3)C5=C(CC4)C=CC=C5
1986,ralitoline,1,C1=C(Cl)C(=C(C=C1)C)NC(=O)/C=C/2SCC(=O)N2C
1988,reboxetine,1,[C@H](C1=CC=CC=C1)([C@@H]2CNCCO2)OC3=CC=CC=C3OCC
1990,revospirone,1,C1=CC=CC4=C1C(N(CCCN3CCN(C2=NC=CC=N2)CC3)[S]4(=O)=O)=O
1991,rilapine,1,C1=C(Cl)C=CC\3=C1C=C(N2CCN(C)CC2)C4=C(C3=C/C#N)C=CC=C4
1992,riluzole,1,[H+].C1=C(OC(F)(F)F)C=CC2=C1SC(=N2)N.[Cl-]
1993,roflurane,1,COC(C(F)Br)(F)F
1994,roletamide,1,C1=C(C(=C(C=C1C(\C=C\N2CC=CC2)=O)OC)OC)OC
1995,rolziracetam,1,O=C1N2C(CC1)CCC2=O
1997,rufinamide,1,C1=C(C(N)=O)N=N[N]1CC2=C(C=CC=C2F)F
1998,sabeluzole,1,C1=CC=CC2=C1N=C(S2)N(C4CCN(CC(COC3=CC=C(C=C3)F)O)CC4)C
1999,seproxetine,1,NCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2
2001,sipatrigine,1,C3=C(C2=C(N=C(N1CCN(C)CC1)N=C2)N)C(=C(C=C3Cl)Cl)Cl
2002,spiclamine,1,[C@@H]3(C1=CC=C(Cl)C=C1)[C@H]2CC[C@@H](C2)C34CCC(=N4)N5CCOCC5
2003,spiroxatrine,1,C1=CC=CC=C1N2C5(C(NC2)=O)CCN(CC4OC3=C(C=CC=C3)OC4)CC5
2004,sulazepam,1,C1=C(Cl)C=CC2=C1C(=NCC(=S)N2C)C3=CC=CC=C3
2005,sulfonethylmethane,1,C(C([S](CC)(=O)=O)([S](CC)(=O)=O)C)C
2006,sulpiride,1,C1=C([S](=O)(=O)N)C=CC(=C1C(NCC2N(CC)CCC2)=O)OC
2007,supidimide,1,C1=CC=CC3=C1C(N(C2C(NCCC2)=O)[S]3(=O)=O)=O
2008,taclamine,1,C5=C2C1=C(CCC4=C(C1CN3CCCCC23)C=CC=C4)C=C5
2009,talbutal,1,C(C(C)C1(CC=C)C(=O)NC(NC1=O)=O)C
2010,tenilapine,1,C3=C2C(=NC1=CSC=C1C(/C2=CS3)=C/C#N)N4CCN(C)CC4
2011,teniloxazine,1,C1=CC=CC(=C1CC2=CC=CS2)OCC3OCCNC3.O=C(O)\C=C/C(=O)O
2012,tetrazepam,1,C1=C(Cl)C=CC2=C1C(=NCC(=O)N2C)C3=CCCCC3
2013,thiotetrabarbital,1,C(C1(C(CCC)CC)C(NC(=S)NC1=O)=O)C
2014,tiapride,1,C1=C([S](C)(=O)=O)C=CC(=C1C(NCCN(CC)CC)=O)OC
2016,tienopramine,1,C1=CSC2=C1N(C3=C(C=C2)C=CC=C3)CCCN(C)C
2017,tiflucarbine,1,C1=C4C(=C2C(=C1F)SC=C2C)C3=C(CCN(C3)CC)[NH]4
2018,tiletamine,1,C1=C(SC=C1)C2(C(CCCC2)=O)NCC
2019,timobesone,1,CSC(=O)C3(O)C(C)CC4C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC34C
2020,tolboxane,1,C1=CC(=CC=C1B2OCC(CCC)(C)CO2)C
2021,toloxatone,1,C2=C(N1CC(CO)OC1=O)C=CC=C2C
2022,tomoxetine,1,[C@H](OC1=C(C=CC=C1)C)(C2=CC=CC=C2)CCNC
2023,toprilidine,1,C1=CC=CC(=C1N3CCN(CCCOC2=CC=CC=N2)CC3)C
2025,triamcinolone-acetonide,1,[C@@]45([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@H]4OC(O5)(C)C)C)C(CO)=O
2027,triamcinolone-hexacetonide,1,[C@@]45([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@H]4OC(O5)(C)C)C)C(COC(CC(C)(C)C)=O)=O
2031,trifluoperazine,1,C1=C(C=CC3=C1N(CCCN2CCN(CC2)C)C4=C(S3)C=CC=C4)C(F)(F)F
2032,trimethadione,1,CC1(C(N(C(O1)=O)C)=O)C
2034,tuclazepam,1,C1=C2C(=CC=C1)N(C(Cl)(CN=C2C3=CC=CC=C3Cl)CO)C
2035,ulobetasol,1,CC4CC3C2CC(F)C1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)CCl
2036,valdetamide,1,C(C(C(N)=O)(CC)CC)C=C
2037,valnoctamide,1,C(C(C(CC)C)C(N)=O)C
2038,valperinol,1,[C@@H]1(C[C@H]3[C@H]2[C@@]1(O[C@H](O[C@H]2OC)[C@@H]3C)CN4CCCCC4)O
2039,valpromide,1,C(C(CCC)C(N)=O)CC
2040,vinbarbital,1,C(C1(C(NC(=O)NC1=O)=O)C(=C/CC)/C)C
2042,viqualine,1,C1=C(OC)C=CC2=NC=CC(=C12)CCCC3C(CNCC3)C=C
2043,xanomeline,1,C(OC1=NSN=C1C2=CCCN(C2)C)CCCCC
2044,zaleplon,1,C2=N[N]1C(=CC=NC1=C2C#N)C3=CC(=CC=C3)N(C(C)=O)CC
2045,zimeldine,1,C2=C(\C(C1=CC=CN=C1)=C\CN(C)C)C=CC(=C2)Br
2046,zomebazam,1,C3=C(N2C1=C([N](C)N=C1C)N(C(=O)CC2=O)C)C=CC=C3
2047,zometapine,1,C3=C(C1=NCCN=C2N(NC(=C12)C)C)C=CC=C3Cl
2048,nitrous-oxide,1,[N+](=[N-])=O
2049,licostinel,1,C1=C(Cl)C(=C(C2=C1NC(=O)C(N2)=O)[N+](=O)[O-])Cl
2050,ademetionine(adenosyl-methionine),1,[C@H]3([N]2C1=C(C(=NC=N1)N)N=C2)[C@@H]([C@@H]([C@H](O3)C[S+](CC[C@@H](C([O-])=O)N)C)O)O
2051,mesocarb,1,[O+]1=N[N](C=C1[N-]C(NC2=CC=CC=C2)=O)C(CC3=CC=CC=C3)C
2052,tofisoline,1,C1=C(OC)C(=CC2=C1C(=[N+](C(=C2CC)C)[NH-])C3=CC=C(C(=C3)OC)OC)OC