,drug_name,id,smiles
0,5-FU,0,C1=C(C(=O)NC(=O)N1)F
1,BORTEZOMIB,1,B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O
2,DASATINIB,2,CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO
3,ERLOTINIB,3,COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC
4,GELDANAMYCIN,4,C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)\C)C)O)OC
5,LAPATINIB,5,CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl
6,SORAFENIB,6,CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
7,SUNITINIB,7,CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C
8,TOPOTECAN,8,CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O
9,DEXAMETHASONE,9,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C
10,DOXORUBICIN,10,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O
11,ETOPOSIDE,11,C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O
12,GEMCITABINE,12,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F
13,METFORMIN,13,CN(C)C(=N)N=C(N)N
14,METHOTREXATE,14,CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
15,PACLITAXEL,15,CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
16,VINBLASTINE,16,CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O
17,VINORELBINE,17,CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC
18,CYTARABINE HYDROCHLORIDE,18,C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O.Cl
19,ARSENIC TRIOXIDE,19,[O-2].[O-2].[O-2].[As+3].[As+3]
20,IMIQUIMOD,20,CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N
21,TOPOTECAN HYDROCHLORIDE,21,CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O.Cl
22,TRETINOIN,22,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C
23,NILOTINIB,23,CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
24,PEMETREXED,24,C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O
25,IMATINIB,25,CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
26,AZACYTIDINE,26,C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N
27,MITOTANE,27,C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl
28,CARMUSTINE,28,C(CCl)NC(=O)N(CCCl)N=O
29,FLUDARABINE BASE,29,C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)F)N
30,THALIDOMIDE,30,C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O
31,IXABEPILONE,31,C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C
32,DOCETAXEL,32,CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
33,ERLOTINIB HYDROCHLORIDE,33,COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl
34,ZOLEDRONIC ACID,34,C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O
35,MERCAPTOPURINE,35,C1=NC2=C(N1)C(=S)N=CN2
36,DEXRAZOXANE,36,C[C@@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2
37,BLEOMYCIN,37,CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O
38,QUINACRINE HYDROCHLORIDE,38,CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl.Cl
39,RALOXIFENE,39,C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O
40,LETROZOLE,40,C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3
41,CELECOXIB,41,CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
42,AMIFOSTINE,42,C(CN)CNCCSP(=O)(O)O
43,MITOXANTRONE,43,C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO
44,METHOXSALEN,44,COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
45,ALLOPURINOL,45,C1=NNC2=C1C(=O)NC=N2
46,TAMOXIFEN CITRATE,46,CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
47,ANASTROZOLE,47,CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N
48,PRALATREXATE,48,C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
49,FULVESTRANT,49,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F
50,DAUNORUBICIN HYDROCHLORIDE,50,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O.Cl
51,HYDROXYUREA,51,C(=O)(N)NO
52,DACARBAZINE,52,CN(C)/N=N/C1=C(NC=N1)C(=O)N
53,LOMUSTINE,53,C1CCC(CC1)NC(=O)N(CCCl)N=O
54,LENALIDOMIDE,54,C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N
55,PAZOPANIB HYDROCHLORIDE,55,CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N.Cl
56,VISMODEGIB,56,CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl
57,GEFITINIB,57,COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4
58,MEGESTROL ACETATE,58,CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C
59,TENIPOSIDE,59,COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O
60,ABIRATERONE,60,C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)O
61,VEMURAFENIB,61,CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F
62,RUXOLITINIB,62,C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3
63,CRIZOTINIB,63,C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N
64,CABAZITAXEL,64,CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC)C)OC
65,VANDETANIB,65,CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC
66,dacarbazine,66,CN(C)/N=N/C1=C(NC=N1)C(=O)N
67,Fotemustine,67,CCOP(=O)(C(C)NC(=O)N(CCCl)N=O)OCC
68,AMD 473,68,CC1=CC=CC=N1.N.Cl[Pt]Cl
69,VINCRISTINE,69,CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O
70,Vinorelbine tartrate,70,CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
71,colchicine,71,CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
72,paclitaxel,72,CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
73,NOCODAZOLE,73,COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CS3
74,PODOPHYLLOTOXIN,74,COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O
75,monastrol,75,CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)O)C
76,Ciliobrevin D,76,C1=CC2=C(C=C1Cl)N=C(NC2=O)C(=C(C3=C(C=C(C=C3)Cl)Cl)O)C#N
77,IRINOTECAN,77,CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7
78,CAMPTOTHECIN,78,CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O
79,etoposide,79,C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O
80,GENISTEIN,80,C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
81,GATIFLOXACIN,81,CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
82,Moxifloxacin hydrochloride monohydrate,82,COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.O.Cl
83,norfloxacin,83,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O
84,SPARFLOXACIN,84,C[C@@H]1CN(C[C@@H](N1)C)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F
85,LEVOFLOXACIN,85,C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O
86,ciprofloxacin,86,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O
87,CYTIDINE,87,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
88,FOMEPIZOLE,88,CC1=CNN=C1
89,DISULFIRAM,89,CCN(CC)C(=S)SSC(=S)N(CC)CC
90,MYRICETIN,90,C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
91,naringenin,91,C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
92,APIGENIN,92,C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
93,BOSUTINIB (SKI-606),93,CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC
94,PD173955,94,CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC(=CC=C4)SC
95,CANERTINIB (CI-1033),95,C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4
96,VATALANIB (PTK787) 2HCL,96,C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4.Cl.Cl
97,CEDIRANIB (AZD2171),97,CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5
98,REGORAFENIB (BAY 73-4506),98,CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F
99,PONATINIB (AP24534),99,CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5
100,suramin,100,CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C
101,AMG-208,101,COC1=CC2=NC=CC(=C2C=C1)OCC3=NN=C4N3N=C(C=C4)C5=CC=CC=C5
102,DORSOMORPHIN,102,C1CCN(CC1)CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC=C5)N=C3
103,TANDUTINIB (MLN518),103,CC(C)OC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5
104,Wortmannin from Penicillium funiculosum,104,CC(=O)O[C@@H]1C[C@]2(C(CCC2=O)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C
105,A-674563,105,CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CC=CC=C4)N
106,"4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol",106,COC1=CC=C(C=C1)C1=C(C)NN=C1C1=C(O)C=C(O)C=C1
107,PH-797804,107,CC1=C(C=C(C=C1)C(=O)NC)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)C
108,sulfasalazine,108,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O
109,CHIR-124,109,C1CN2CCC1[C@@H](C2)NC3=C(C(=O)NC4=C3C=C(C=C4)Cl)C5=NC6=CC=CC=C6N5
110,Flavopiridol,110,CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O
111,PURVALANOL B,111,CC(C)[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=C(C=C3)C(=O)O)Cl
112,purvalanol A,112,CC(C)[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=CC=C3)Cl
113,MENADIONE,113,CC1=CC(=O)C2=CC=CC=C2C1=O
114,PENTAMIDINE,114,C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N
115,berberine,115,COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
116,PLX-4720,116,CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F
117,Ingenol 3-angelate,117,C/C=C(/C)\C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)CO)O)O)C
118,Fasudil,118,C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3
119,Y-27632,119,C[C@H](C1CCC(CC1)C(=O)NC2=CC=NC=C2)N
120,LEFLUNOMIDE,120,CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F
121,Pyridone 6,121,CC(C)(C)C1=NC2=C(N1)C3=C(C=C(C=C3)F)C4=C2C=CNC4=O
122,EMODIN,122,CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O
123,Fingolimod,123,CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N
124,PAZOPANIB,124,CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N
125,FISETIN,125,C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O
126,SAXAGLIPTIN,126,C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34CC5CC(C3)CC(C5)(C4)O)N
127,LINAGLIPTIN,127,CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C
128,SITAGLIPTIN,128,C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N
129,BATIMASTAT (BB-94),129,CC(C)C[C@H]([C@H](CSC1=CC=CS1)C(=O)NO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC
130,Chlorhexidine Base,130,C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(N)/N=C(/N)\NC2=CC=C(C=C2)Cl)N)/N)Cl
131,TOLCAPONE,131,CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
132,DECITABINE,132,C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)CO)O
133,TIPIFARNIB,133,CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N
134,CD 437,134,C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)O
135,TAZAROTENE,135,CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C
136,TAMIBAROTENE,136,CC1(CCC(C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)(C)C)C
137,BEXAROTENE,137,CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C
138,HYDROCORTISONE,138,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
139,cyclosporin A,139,CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)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
140,AZATHIOPRINE,140,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]
141,KETOPROFEN,141,CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O
142,KETOROLAC,142,C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O
143,FLURBIPROFEN,143,CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O
144,INDOMETHACIN,144,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
145,LORNOXICAM,145,CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3
146,ASPIRIN,146,CC(=O)OC1=CC=CC=C1C(=O)O
147,TENOXICAM,147,CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3
148,histamine,148,C1=C(NC=N1)CCN
149,cetirizine,149,C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
150,LORATADINE,150,CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
151,Chloropyramine hydrochloride,151,CN(C)CCN(CC1=CC=C(C=C1)Cl)C2=CC=CC=N2.Cl
152,diphenhydramine,152,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2
153,ketotifen,153,CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1
154,CYPROHEPTADINE,154,CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1
155,azelastine,155,CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl
156,famotidine,156,C1=C(N=C(S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N
157,QUERCETIN,157,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
158,HYDROXOCOBALAMIN,158,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co+2]
159,NICOTINIC ACID,159,C1=CC(=CN=C1)C(=O)O
160,NICOTINAMIDE (VITAMIN B3),160,C1=CC(=CN=C1)C(=O)N
161,D-PANTOTHENIC ACID,161,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O
162,ANDARINE,162,CC(=O)NC1=CC=C(C=C1)OC[C@@](C)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O
163,ENZALUTAMIDE (MDV3100),163,CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C
164,BICALUTAMIDE,164,CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O
165,FLUTAMIDE,165,CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F
166,(R)-Bicalutamide,166,C[C@](CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O
167,nilutamide,167,CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C
168,meclizine,168,CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
169,PIOGLITAZONE,169,CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3
170,ROSIGLITAZONE,170,CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3
171,FENOFIBRATE,171,CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
172,CLOFIBRATE,172,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl
173,GEMFIBROZIL,173,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O
174,TROGLITAZONE,174,CC1=C(C2=C(CCC(O2)(C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C(=C1O)C)C
175,TELMISARTAN,175,CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C
176,OLMESARTAN,176,CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O
177,clomiphene,177,CCN(CC)CCOC1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/Cl)/C3=CC=CC=C3
178,TRILOSTANE,178,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@]45[C@@]3(CC(=C([C@H]4O5)O)C#N)C
179,Erteberel,179,C1C[C@H]2[C@@H](C1)C3=C(C=CC(=C3)O)O[C@H]2C4=CC=C(C=C4)O
180,Tesmilifene,180,CCN(CC)CCOC1=CC=C(C=C1)CC2=CC=CC=C2
181,propofol,181,CC(C)C1=C(C(=CC=C1)C(C)C)O
182,OMEPRAZOLE,182,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC
183,PROBUCOL,183,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
184,pantoprazole,184,COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC
185,ELACRIDAR,185,COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC
186,anagrelide,186,C1C2=C(C=CC(=C2Cl)Cl)N=C3N1CC(=O)N3
187,CILOSTAZOL,187,C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4
188,MILRINONE,188,CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2
189,ROLIPRAM,189,COC1=C(C=C(C=C1)C2CC(=O)NC2)OC3CCCC3
190,CILOMILAST,190,COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#N)OC3CCCC3
191,(R)-(-)-Rolipram,191,COC1=C(C=C(C=C1)[C@H]2CC(=O)NC2)OC3CCCC3
192,ROFLUMILAST,192,C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F
193,sildenafil,193,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C
194,TADALAFIL,194,CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36
195,DIPYRIDAMOLE,195,C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO
196,Vardenafil,196,CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C
197,papaverine,197,COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
198,THEOBROMINE,198,CN1C=NC2=C1C(=O)NC(=O)N2C
199,PERINDOPRIL,199,CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O
200,benazepril,200,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O
201,ZAFIRLUKAST,201,CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC
202,PRANLUKAST,202,C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5
203,OXCARBAZEPINE,203,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N
204,proparacaine,204,CCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)N
205,LAMOTRIGINE,205,C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N
206,TRIFLUOPERAZINE,206,CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
207,flecainide,207,C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F
208,AMILORIDE,208,C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N
209,PRIMIDONE,209,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2
210,VERAPAMIL,210,CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC
211,ISRADIPINE,211,CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC
212,flunarizine,212,C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
213,Pregabalin,213,CC(C)C[C@@H](CC(=O)O)CN
214,LEVETIRACETAM,214,CC[C@@H](C(=O)N)N1CCCC1=O
215,CINACALCET,215,C[C@H](C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F
216,GABAPENTIN,216,C1CCC(CC1)(CC(=O)O)CN
217,DOFETILIDE,217,CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C
218,GLIMEPIRIDE,218,CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C
219,GLIPIZIDE,219,CC1=CN=C(C=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3
220,IBUTILIDE FUMARATE,220,CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.C(=C/C(=O)O)\C(=O)O
221,GLICLAZIDE,221,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2
222,MINOXIDIL,222,C1CCN(CC1)C2=NC(=N)N(C(=C2)N)O
223,LEVOSIMENDAN,223,C[C@@H]1CC(=O)NN=C1C2=CC=C(C=C2)NN=C(C#N)C#N
224,Retigabine,224,CCOC(=O)NC1=C(C=C(C=C1)NCC2=CC=C(C=C2)F)N
225,RILUZOLE,225,C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N
226,IVACAFTOR (VX-770),226,CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C
227,Piboserod,227,CCCCN1CCC(CC1)CNC(=O)C2=C3N(CCCO3)C4=CC=CC=C42
228,SUMATRIPTAN,228,CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C
229,NARATRIPTAN,229,CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C
230,rizatriptan,230,CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3
231,ZOLMITRIPTAN,231,CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3
232,Almotriptan,232,CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3
233,FLUVOXAMINE,233,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F
234,CITALOPRAM,234,CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
235,VENLAFAXINE,235,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O
236,Granisetron hydrochloride,236,CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C.Cl
237,ondansetron,237,CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C
238,AMOXAPINE,238,C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
239,cyclobenzaprine,239,CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31
240,MACITENTAN,240,CCCNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br
241,Varenicline,241,C1C2CNCC1C3=CC4=NC=CN=C4C=C23
242,CYTISINE,242,C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2
243,LEVAMISOLE,243,C1CSC2=N[C@H](CN21)C3=CC=CC=C3
244,Aprepitant,244,C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F
245,CLADRIBINE,245,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O
246,THEOPHYLLINE,246,CN1C2=C(C(=O)N(C1=O)C)NC=N2
247,VIDARABINE,247,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N
248,Reversine,248,C1CCC(CC1)NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)N5CCOCC5
249,Plerixafor,249,C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3
250,MARAVIROC,250,CC1=NN=C(N1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C
251,RIMONABANT,251,CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl
252,LICOFELONE,252,CC1(CC2=C(C(=C(N2C1)CC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C
253,ZILEUTON,253,CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O
254,Masoprocol,254,C[C@H](CC1=CC(=C(C=C1)O)O)[C@@H](C)CC2=CC(=C(C=C2)O)O
255,NEPAFENAC,255,C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)N
256,ETODOLAC,256,CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O
257,NIMESULIDE,257,CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2
258,NAPROXEN,258,C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O
259,acetaminophen,259,CC(=O)NC1=CC=C(C=C1)O
260,IBUPROFEN,260,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
261,MELOXICAM,261,CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O
262,PIROXICAM,262,CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3
263,NIFLUMIC ACID,263,C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)O)C(F)(F)F
264,ROFECOXIB,264,CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3
265,SIMVASTATIN,265,CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C
266,LOVASTATIN,266,CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C
267,ellagic acid,267,C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O
268,NIRAXOSTAT,268,CC(C)(C)COC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)O)C#N
269,allopurinol,269,C1=NNC2=C1C(=O)NC=N2
270,Octreotide,270,C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N[C@H](CO)[C@@H](C)O)O
271,LACOSAMIDE,271,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1
272,MEMANTINE,272,CC12CC3CC(C1)(CC(C3)(C2)N)C
273,D-CYCLOSERINE,273,C1[C@H](C(=O)NO1)N
274,spermidine,274,C(CCNCCCN)CN
275,CHLOROXINE,275,C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1
276,Pefloxacin,276,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O
277,SULFAMETHIZOLE,277,CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N
278,CLINDAMYCIN PALMITATE HCL,278,CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1SC)[C@@H]([C@H](C)Cl)NC(=O)[C@@H]2C[C@H](CN2C)CCC)O)O.Cl
279,ZALCITABINE,279,C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N
280,didanosine,280,C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CNC3=O
281,ZIDOVUDINE,281,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
282,TRANEXAMIC ACID,282,C1CC(CCC1CN)C(=O)O
283,HYDROXYCHLOROQUINE,283,CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO
284,CHLOROQUINE,284,CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
285,mefloquine,285,C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O
286,HALOFANTRINE,286,CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O
287,Methylene Blue cation,287,CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2
288,2-FLUORO ARA-A,288,C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)F)N
289,Capecitabine (Xeloda),289,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@H]([C@@H]([C@H](O2)C)O)O
290,FLUCYTOSINE,290,C1=NC(=O)NC(=C1F)N
291,Pemetrexed,291,C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O
292,Raltitrexed,292,CC1=NC2=C(C=C(C=C2)CN(C)C3=CC=C(S3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)N1
293,GEMCITABINE HYDROCHLORIDE,293,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F.Cl
294,trimetrexate,294,CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC
295,roxithromycin,295,CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O
296,TETRACYCLINE,296,C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O
297,LINEZOLID,297,CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F
298,sulfaphenazole,298,C1=CC=C(C=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)N
299,CHLORAMPHENICOL,299,C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
300,minocycline,300,CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C
301,ofloxacin,301,CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O
302,ENOXACIN,302,CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O
303,fleroxacin,303,CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F
304,lomefloxacin,304,CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O
305,cephradine,305,CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O
306,cefdinir,306,C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)SC1)C(=O)O
307,CHLORMEZANONE,307,CN1C(S(=O)(=O)CCC1=O)C2=CC=C(C=C2)Cl
308,ETOMIDATE,308,CCOC(=O)C1=CN=CN1[C@H](C)C2=CC=CC=C2
309,FELBAMATE,309,C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N
310,Eszopiclone,310,CN1CCN(CC1)C(=O)O[C@H]2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl
311,FLUMAZENIL,311,CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C
312,ISONIAZID,312,C1=CN=CC=C1C(=O)NN
313,ETHIONAMIDE,313,CCC1=NC=CC(=C1)C(=S)N
314,MEBENDAZOLE,314,COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3
315,THIABENDAZOLE,315,C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3
316,MELATONIN,316,CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
317,RALTEGRAVIR,317,CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F
318,FLUCONAZOLE,318,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
319,TIOCONAZOLE,319,C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl
320,Isoconazole,320,C1=CC(=C(C(=C1)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
321,econazole,321,C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
322,BUMETANIDE,322,CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2
323,FUROSEMIDE,323,C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl
324,BISOPROLOL,324,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O
325,dobutamine,325,CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O
326,Nebivolol hydrochloride,326,C1CC2=C(C=CC(=C2)F)O[C@H]1[C@H](CNC[C@@H]([C@@H]3CCC4=C(O3)C=CC(=C4)F)O)O.Cl
327,BETAXOLOL,327,CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O
328,CARVEDILOL,328,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
329,SOTALOL,329,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O
330,PROCATEROL,330,CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C
331,Salbutamol,331,CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O
332,ISOPROTERENOL,332,CC(C)NCC(C1=CC(=C(C=C1)O)O)O
333,phentolamine,333,CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O
334,doxazosin,334,COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC
335,alfuzosin,335,CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC
336,prazosin,336,COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC
337,TERAZOSIN,337,COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC
338,TRAZODONE,338,C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl
339,clonidine,339,C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl
340,phenylephrine,340,CNC[C@@H](C1=CC(=CC=C1)O)O
341,oxymetazoline,341,CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C
342,xylometazoline,342,CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C
343,DRONEDARONE,343,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC
344,phenoxybenzamine,344,CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2
345,tizanidine,345,C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl
346,EPINEPHRINE,346,CNC[C@@H](C1=CC(=C(C=C1)O)O)O
347,norepinephrine,347,C1=CC(=C(C=C1[C@H](CN)O)O)O
348,AMINOGLUTETHIMIDE,348,CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N
349,MICONAZOLE,349,C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
350,FORMESTANE,350,C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O
351,methyltestosterone,351,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C
352,FLUOCINOLONE ACETONIDE,352,C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O
353,TRIAMCINOLONE ACETONIDE,353,C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O
354,BETAMETHASONE DIPROPIONATE,354,CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)CC
355,DESONIDE,355,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@]35C)O
356,FLUTICASONE PROPIONATE,356,CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF
357,CLOBETASOL PROPIONATE,357,CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl
358,Nandrolone phenpropionate,358,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CC[C@H]35
359,TRIMETHYL GLYCINE,359,C[N+](C)(C)CC(=O)O
360,MIFEPRISTONE,360,CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O
361,PROGESTERONE,361,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
362,L-THYROXINE,362,C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)N
363,NELARABINE,363,COC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N
364,HEXESTROL,364,CC[C@H](C1=CC=C(C=C1)O)[C@@H](CC)C2=CC=C(C=C2)O
365,Cromoglycate,365,C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)O)C(=O)C=C(O2)C(=O)O
366,amlexanox,366,CC(C)C1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)O)N
367,DYPHYLLINE,367,CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
368,Ipratropium bromide hydrate,368,CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.O.[Br-]
369,METHSCOPOLAMINE BROMIDE,369,C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-]
370,oxybutynin,370,CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O
371,orphenadrine,371,CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C
372,Fesoterodine,372,CC(C)C(=O)OC1=C(C=C(C=C1)CO)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2
373,amiodarone,373,CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I
374,L-Hyoscyamine,374,CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3
375,bethanechol,375,CC(C[N+](C)(C)C)OC(=O)N
376,ARECOLINE,376,CN1CCC=C(C1)C(=O)OC
377,ATRACURIUM BESYLATE,377,C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]
378,METHOCARBAMOL,378,COC1=CC=CC=C1OCC(COC(=O)N)O
379,HYDRALAZINE,379,C1=CC=C2C(=C1)C=NN=C2NN
380,Risedronate sodium,380,C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+]
381,PRASUGREL,381,CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4
382,ticlopidine,382,C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl
383,APIXABAN,383,COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N
384,warfarin,384,CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
385,VORICONAZOLE,385,C[C@@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
386,CLOTRIMAZOLE,386,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4
387,mianserin,387,CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42
388,Ziprasidone,388,C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54
389,MIRTAZAPINE,389,CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4
390,ARIPIPRAZOLE,390,C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl
391,AGOMELATINE,391,CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC
392,RAMELTEON,392,CCC(=O)NCC[C@@H]1CCC2=C1C3=C(C=C2)OCC3
393,AMISULPRIDE,393,CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC
394,ASENAPINE,394,CN1C[C@@H]2[C@@H](C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24
395,fenoldopam,395,C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O
396,FLUPHENAZINE,396,C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO
397,PROCHLORPERAZINE DIMALEATE,397,CN1CCN(CC1)CCCN2C3=C(SC4=CC=CC=C24)C=CC(=C3)Cl.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
398,ILOPERIDONE,398,CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC
399,RISPERIDONE,399,CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
400,HALOPERIDOL,400,C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F
401,sulpiride,401,CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
402,olanzapine,402,CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C
403,PRAMIPEXOLE,403,CCCN[C@H]1CCC2=C(C1)SC(=N2)N
404,clozapine,404,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42
405,AMANTADINE,405,C1C2CC3CC1CC(C2)(C3)N
406,DOMPERIDONE,406,C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O
407,AMFEBUTAMONE HCL,407,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C
408,MAPROTILINE,408,CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24
409,duloxetine,409,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32
410,clomipramine,410,CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
411,TETRABENAZINE,411,CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC
412,ethosuximide,412,CCC1(CC(=O)NC1=O)C
413,Caffeine citrate,413,CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
414,BALSALAZIDE,414,C1=CC(=CC=C1C(=O)NCCC(=O)O)N=NC2=CC(=C(C=C2)O)C(=O)O
415,CHLOROTHIAZIDE,415,C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2
416,HYDROCHLOROTHIAZIDE,416,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl
417,Conivaptan,417,CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6
418,TRICHLORMETHIAZIDE,418,C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)Cl
419,ARGATROBAN,419,C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C
420,ANIRACETAM,420,COC1=CC=C(C=C1)C(=O)N2CCCC2=O
421,rivastigmine,421,CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C
422,Huperzine A,422,C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3
423,TACRINE,423,C1CCC2=NC3=CC=CC=C3C(=C2C1)N
424,MONOBENZONE,424,C1=CC=C(C=C1)COC2=CC=C(C=C2)O
425,ADAPALENE,425,COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5
426,9-cis Acitretin,426,CC1=CC(=C(C(=C1/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)C)C)OC
427,OSELTAMIVIR,427,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC
428,RIMANTADINE,428,CC(C12CC3CC(C1)CC(C3)C2)N
429,biperiden,429,C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O
430,levodopa,430,C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O
431,selegiline,431,C[C@H](CC1=CC=CC=C1)N(C)CC#C
432,RASAGILINE MESYLATE,432,CS(=O)(=O)O.C#CCN[C@@H]1CCC2=CC=CC=C12
433,Phenelzine,433,C1=CC=C(C=C1)CCNN
434,DOPAMINE,434,C1=CC(=C(C=C1CCN)O)O
435,MYCOPHENOLATE MOFETIL,435,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O
436,NALTREXONE,436,C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O
437,LOPERAMIDE,437,CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4
438,PHLORETIN,438,C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O
439,REPAGLINIDE,439,CCOC1=C(C=CC(=C1)CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O
440,NATEGLINIDE,440,CC(C)C1CCC(CC1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O
441,PHENFORMIN,441,C1=CC=C(C=C1)CCN=C(N)N=C(N)N
442,dorzolamide,442,CCN[C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C
443,METOLAZONE,443,CC1NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3C)S(=O)(=O)N)Cl
444,INDAPAMIDE,444,CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N
445,SULFANILAMIDE,445,C1=CC(=CC=C1N)S(=O)(=O)N
446,DICHLORPHENAMIDE,446,C1=C(C=C(C(=C1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N
447,Prostaglandin E2,447,CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O
448,AURANOFIN,448,CCP(CC)CC.CC(=O)OCC1C(C(C(C(O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+]
449,PROPYLTHIOURACIL,449,CCCC1=CC(=O)NC(=S)N1
450,PERHEXILINE,450,C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3
451,CYTARABINE,451,C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
452,propafenone,452,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O
453,RIFABUTIN,453,
454,DOXORUBICIN HYDROCHLORIDE,454,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl
455,CICLOPIROX ETHANOLAMINE,455,CC1=CC(=O)N(C(=C1)C2CCCCC2)O.C(CO)N
456,TAMOXIFEN,456,CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3
457,prochlorperazine,457,CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
458,FLAVOPIRIDOL HCL,458,CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O.Cl
459,RALOXIFENE HYDROCHLORIDE,459,C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl
460,Vemurafenib,460,CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F
461,Dasatinib,461,CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO
462,Everolimus,462,C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC
463,Ponatinib,463,CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5
464,Camptothecin,464,CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O
465,AT-7519,465,C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl
466,Docetaxel,466,CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
467,Etoposide,467,C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O
468,Pralatrexate,468,C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
469,Methotrexate,469,CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
470,Disulfiram,470,CCN(CC)C(=S)SSC(=S)N(CC)CC
471,Doxorubicin,471,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O
472,Cytarabine,472,C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
473,Tranilast,473,COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OC
474,Ruxolitinib,474,C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3
475,Estramustine,475,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl
476,Vinblastine,476,CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O
477,Epothilone B,477,C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C
478,Epirubicin hydrochloride,478,C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl
479,Idarubicin hydrochloride,479,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O.Cl
480,Teniposide,480,COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O
481,Rifampicin,481,C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C)/C
482,Rifaximin,482,C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)/C
483,Clofarabine,483,C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)Cl)N
484,Cyanein,484,C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O1)O)O
485,Daidzin,485,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
486,Quinidine,486,COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O
487,Afatinib,487,CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4
488,Sunitinib malate,488,CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C.C([C@@H](C(=O)O)O)C(=O)O
489,PP-121,489,C1CCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CN=C5C(=C4)C=CN5)N
490,Piceatannol,490,C1=CC(=C(C=C1/C=C/C2=CC(=CC(=C2)O)O)O)O
491,LY-294002,491,C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4
492,H-89,492,C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNC/C=C/C3=CC=C(C=C3)Br
493,Sirolimus,493,C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC
494,Temsirolimus,494,C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC
495,Doramapimod,495,CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5
496,7-Hydroxystaurosporine,496,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)[C@H](NC6=O)O)NC)OC
497,Alendronate,497,C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN
498,PD-0325901,498,C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O
499,CCT-018159,499,CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C
500,Geldanamycin,500,C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)\C)C)O)OC
501,Vorinostat (SAHA),501,C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO
502,Isoliquiritigenin,502,C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O
503,Trichostatin A,503,C[C@H](/C=C(\C)/C=C/C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C
504,Veliparib,504,C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N
505,Ilomastat,505,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NC
506,LG-100268,506,CC1=CC2=C(C=C1C3(CC3)C4=NC=C(C=C4)C(=O)O)C(CCC2(C)C)(C)C
507,Fenretinide,507,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=CC=C(C=C2)O)/C)/C
508,Isotretinoin,508,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C
509,Tretinoin,509,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C
510,Hesperetin,510,COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O
511,Sulindac,511,CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
512,Chlorphenamine maleate,512,CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=C\C(=O)O)\C(=O)O
513,Clemastine fumarate,513,C[C@@](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[C@H]3CCCN3C.C(=C/C(=O)O)\C(=O)O
514,Vitamin B12,514,CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]
515,Riboflavin,515,CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O
516,Seocalcitol,516,CCC(CC)(/C=C/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O
517,Calcitriol,517,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
518,Testosterone,518,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C
519,Testosterone propionate,519,CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
520,Cyproterone acetate,520,CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)C
521,Eprosartan mesylate,521,CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O.CS(=O)(=O)O
522,Tamoxifen,522,CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3
523,Toremifene citrate,523,CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
524,Ethinylestradiol,524,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O
525,Mestranol,525,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC
526,Estradiol,526,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O
527,Dienestrol,527,C/C=C(/C(=C/C)/C1=CC=C(C=C1)O)\C2=CC=C(C=C2)O
528,Diethylstilbestrol,528,CC/C(=C(/CC)\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O
529,Estriol,529,C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O
530,Fulvestrant,530,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F
531,G-Strophanthin,531,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O
532,Bafilomycin A1,532,C[C@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)O)O)O)OC)/C
533,Enalapril maleate,533,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O.C(=C\C(=O)O)\C(=O)O
534,Ramipril,534,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O
535,Ubenimex,535,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O
536,Diltiazem hydrochloride,536,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
537,Tegaserod maleate,537,CCCCCN=C(N)N/N=C/C1=CNC2=C1C=C(C=C2)OC.C(=C\C(=O)O)\C(=O)O
538,Paroxetine,538,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4
539,Chenodeoxycholic acid,539,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
540,Pentostatin,540,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC[C@H]3O)CO)O
541,Adenosine,541,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
542,Resveratrol,542,C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O
543,Diclofenac sodium,543,C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+]
544,Fluvastatin,544,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F
545,Pitavastatin calcium,545,C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.[Ca+2]
546,Atorvastatin calcium,546,CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2]
547,Ezetimibe,547,C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O
548,Orlistat,548,CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
549,Cerulenin,549,C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N
550,Dextromethorphan hydrobromide,550,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC.Br
551,Dapagliflozin,551,CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl
552,Aminocaproic acid,552,C(CCC(=O)O)CCN
553,Floxuridine,553,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)O
554,Trifluridine,554,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O
555,Aminopterin,555,C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N
556,Daunorubicin,556,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O
557,Pimecrolimus,557,CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@@H]([C@@H](C4)OC)Cl)/C)O)C)OC)OC)C)\C
558,Ginkgolide A,558,C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@]3(C2)[C@@]6([C@@H](C5)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O
559,Amprenavir,559,CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N
560,Terbinafine hydrochloride,560,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21.Cl
561,Ritodrine hydrochloride,561,C[C@@H]([C@@H](C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O.Cl
562,Tamsulosin hydrochloride,562,CCOC1=CC=CC=C1OCCN[C@H](C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N.Cl
563,Silodosin,563,C[C@H](CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCO)NCCOC3=CC=CC=C3OCC(F)(F)F
564,Yohimbine,564,COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O
565,Budesonide,565,CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C
566,Prednisone,566,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C
567,Prednisolone,567,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O
568,Methylprednisolone,568,C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O
569,Cortisone acetate,569,CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
570,Fluocinonide,570,CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3C[C@@H](C5=CC(=O)C=C[C@@]54C)F)F)O)C)OC(O2)(C)C
571,Flunisolide,571,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@]35C)F)O
572,Estrone,572,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O
573,Dehydroepiandrosterone,573,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C
574,Digoxin,574,C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O
575,Ursodiol,575,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
576,Pregnenolone,576,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
577,Oxandrolone,577,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COC(=O)C4)C
578,Rocuronium bromide,578,CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-]
579,Vecuronium bromide,579,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-]
580,Pancuronium bromide,580,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-].[Br-]
581,Megestrol acetate,581,CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C
582,Medroxyprogesterone acetate,582,C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C
583,Drospirenone,583,C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(=O)O7)C
584,Levonorgestrel,584,CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34
585,Abiraterone,585,C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)O
586,Olopatadine hydrochloride,586,CN(C)CC/C=C\1/C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O.Cl
587,Scopolamine,587,CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4
588,Tiotropium bromide,588,C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-]
589,Tolterodine tartrate,589,CC1=CC(=C(C=C1)O)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
590,Gallamine triethiodide,590,CC[N+](CC)(CC)CCOC1=C(C(=CC=C1)OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC.[I-].[I-].[I-]
591,Atropine,591,CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
592,Travoprost,592,CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)O)O
593,Cisatracurium besylate,593,C[N@@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N@+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]
594,Eplerenone,594,C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC
595,Rivaroxaban (Xarelto),595,C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl
596,Ximelagatran,596,CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)/C(=N/O)/N
597,Galantamine hydrobromide,597,CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O.Br
598,Zanamivir,598,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N=C(N)N
599,Idoxuridine,599,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)O
600,Tranylcypromine,600,C1[C@H]([C@@H]1N)C2=CC=CC=C2
601,Mycophenolic acid,601,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O
602,Ribavirin,602,C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
603,Acarbose,603,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO
604,Miglitol,604,C1[C@@H]([C@H]([C@@H]([C@H](N1CCO)CO)O)O)O
605,Bimatoprost,605,CCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=CC=CC=C2)O)O)O
606,Alprostadil,606,CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O
607,PX-12,607,CCC(C)SSC1=NC=CN1
608,3-indolebutyric acid,608,C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O
609,Orotic acid,609,C1=C(NC(=O)NC1=O)C(=O)O
610,Ibandronate sodium hydrate,610,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)[O-].O.[Na+]
611,Bortezomib,611,B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O
612,Clomifene citrate,612,CCN(CC)CCOC1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\Cl)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
613,Colchicine,613,CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
614,Mycophenolate mofetil,614,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O
615,Aripiprazole,615,C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl