Drug_ID string | Drug string | Y int64 |
|---|---|---|
Drug 1013 | OC1c2cccc3ccc4cccc(c4c23)C1O | 0 |
Drug 1014 | NC(=O)/C(=C\c1ccc([N+](=O)[O-])o1)c1ccco1 | 1 |
Drug 1015 | O=C(OCCBr)C(O)C(O)C(=O)OCCBr | 1 |
Drug 1016 | OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO | 0 |
Drug 1017 | c1cnc2ccc3c(c2c1)C1OC1CC3 | 1 |
Drug 1018 | C=C(Br)C(C)=O | 1 |
Drug 1019 | c1ccc(CSCc2ccccc2)cc1 | 0 |
Drug 1021 | CC(O)/C=C/C=O | 1 |
Drug 1023 | Oc1cccc2ccc3c4ccccc4ccc3c12 | 1 |
Drug 1026 | COc1ccccc1N | 1 |
Drug 1027 | C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc([N+](=O)[O-])o1 | 1 |
Drug 1028 | Nc1ccc(O)c2c1C(=O)c1c(O)ccc(N)c1C2=O | 1 |
Drug 1029 | CCC1(C)CO1 | 0 |
Drug 1031 | Oc1ccc(/C=N/c2snc3c(Cl)cc(Cl)cc23)cc1 | 1 |
Drug 1032 | Nc1ccccc1C(=O)OC/C=C/c1ccccc1 | 0 |
Drug 1035 | Cc1ccc2ccc([N+](=O)[O-])cc2c1 | 1 |
Drug 1036 | CC1(c2ccc(Br)cc2)CO1 | 0 |
Drug 1037 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | 0 |
Drug 1040 | C/C=C(/C)C#N | 0 |
Drug 1043 | CC(=O)ON(C(C)=O)c1ccc(Sc2ccccc2)cc1 | 1 |
Drug 1044 | CCC[C@@H](O)[C@@H](CC)CO | 0 |
Drug 1045 | CNC(=O)N(c1ccccc1)c1ccccc1 | 0 |
Drug 1048 | COc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-] | 1 |
Drug 1050 | O=[N+]([O-])c1ccccc1SSC(Cl)=C(Cl)Cl | 1 |
Drug 1051 | Cc1cc(NOS(=O)(=O)O)ccc1N | 1 |
Drug 1052 | Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1 | 0 |
Drug 1053 | Cc1ccc(S(=O)(=O)OCC(C)C)cc1 | 0 |
Drug 1054 | CN(C)CCNC(=O)c1cccc2c(=O)c3ccccc3sc12 | 1 |
Drug 1058 | BrCCCCBr | 1 |
Drug 1059 | c1ccc(Cn2ccnc2)cc1 | 1 |
Drug 1060 | CCC12OC1O2 | 1 |
Drug 1062 | Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O | 0 |
Drug 1063 | Cc1c([N+](=O)[O-])c2ccccc2c2ccc3ccccc3c12 | 1 |
Drug 1064 | Cc1coc2c1CCC(C)C2 | 0 |
Drug 1065 | CN(C)C1Cc2cccc3cccc(c23)C1 | 1 |
Drug 1066 | CCc1cccc(CC)c1N=O | 1 |
Drug 1067 | O=C(Oc1ccccc1)c1ccccc1O | 0 |
Drug 1068 | COc1ccc2c(c1)C1CCCCC1C1OC21 | 0 |
Drug 1069 | CC[C@@H](O)/C=C/C=C/C=C/C=C/C=O | 1 |
Drug 1070 | Nc1ccc2nc3ccccc3cc2c1 | 1 |
Drug 1071 | Cn1cnc2c(=N)[n+](=O)[cH-][nH]c21 | 1 |
Drug 1072 | Fc1cccc2cccnc12 | 1 |
Drug 1076 | CC(=O)N(O)c1ccccc1 | 0 |
Drug 1077 | Clc1c(Cl)c(Cl)c2ccccc2c1Cl | 0 |
Drug 1080 | c1ccc(CN2C3c4ccccc4-c4ccccc4C32)cc1 | 1 |
Drug 1081 | O=C1c2ccccc2-c2c1ccc1ccccc21 | 1 |
Drug 1082 | CCCCCCCCCCC | 0 |
Drug 1083 | Nc1nc(=O)n(C2CC(O)C(CO)O2)cc1I | 0 |
Drug 1085 | Nc1ncnc2c1ncn2C1OC(CO)CC1O | 1 |
Drug 1086 | CC(CC1=C(C=O)COC1O)C1=CCC(C)(C)C1 | 0 |
Drug 1088 | CCOC(=O)OC(=O)OCC | 0 |
Drug 1089 | N=C(N)c1ccc(-c2cc3ccc(C(=N)N)cc3s2)cc1 | 0 |
Drug 1091 | Cc1cncc(C)n1 | 1 |
Drug 1092 | CCCCCCCCCC(=O)/N=c1\sn(C(=O)CCCCCCCCC)c2ccc([N+](=O)[O-])cc12 | 1 |
Drug 1093 | FC[C@H]1CO1 | 1 |
Drug 1094 | O=C(O)c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12 | 1 |
Drug 1095 | CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1 | 1 |
Drug 1096 | Fc1cccc2c1ccc1ncccc12 | 1 |
Drug 1098 | O=[N+]([O-])c1cc2cccc3c4c(c5cccc1c5c23)CCCC4 | 1 |
Drug 1099 | Cc1ccc(C)c(O)c1C | 0 |
Drug 1100 | COc1ccc(-c2nc(-c3ccc(C)cc3C)[nH]c2-c2ccc(OC)cc2)cc1 | 1 |
Drug 1104 | O=C1CCc2c1cc(C(F)(F)F)c1c3c(ccc21)[C@H](O)[C@@H](O)C=C3 | 1 |
Drug 1105 | CCCCCCC(C/C=C/CCCCCCCC(=O)OC)OC(C)=O | 0 |
Drug 1106 | CCOP(=S)(OCC)SCSP(=S)(OCC)OCC | 0 |
Drug 1107 | CCCCCCCCBr | 0 |
Drug 1110 | Cc1ccc2c(C)cccc2c1 | 0 |
Drug 1111 | O=C(/C=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1 | 1 |
Drug 1112 | CC(OP(C)(=O)F)C(C)(C)C | 0 |
Drug 1113 | C[C@@H](CN1c2ccccc2Sc2ccccc21)N(C)C | 0 |
Drug 1114 | O=C1c2ccccc2-c2ccc(O)c3cccc1c23 | 1 |
Drug 1117 | FC(F)(F)C(F)(F)Cl | 0 |
Drug 1118 | Cc1cnc2c(cc(C)c3c2nc(N)n3C)n1 | 1 |
Drug 1119 | O=C1c2c(ccc3ccccc23)-c2ccc3ccccc3c21 | 0 |
Drug 1120 | COc1cccc2c(NCCCNCCCl)c3ccccc3nc12 | 1 |
Drug 1121 | C=C1C/C(=C/C)C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23 | 1 |
Drug 1122 | O=c1oc2cc([N+](=O)[O-])ccc2c2ccccc12 | 1 |
Drug 1123 | COc1c2occc2cc2ccc(=O)oc12 | 1 |
Drug 1124 | NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O | 1 |
Drug 1125 | Oc1c(Cl)ccc(Cl)c1Cl | 0 |
Drug 1126 | O=S(=O)(O)Oc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45 | 0 |
Drug 1127 | c1cc(OC[C@H]2CO2)cc(OC[C@H]2CO2)c1 | 1 |
Drug 1129 | C1=C[C@@H]2O[C@@H]2c2ncccc21 | 1 |
Drug 1130 | CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O | 0 |
Drug 1132 | CC(C)(C)CC(C)(C)c1ccc(O)cc1 | 0 |
Drug 1133 | COP(=O)(OC)O/C(=C\Br)c1ccc(Cl)cc1Cl | 0 |
Drug 1134 | Cc1cc(C)c(N)cc1C | 1 |
Drug 1136 | CCCCCCCC[C@H]1CO1 | 0 |
Drug 1137 | O=S1(=O)CCCC1 | 0 |
Drug 1138 | CCc1cc2ccccc2c2ccc3c(c12)C1OC1C(O)C3O | 1 |
Drug 1139 | CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O | 1 |
Drug 1140 | CCc1ccccc1Nc1ccc(Nc2ccccc2CC)c2c1C(=O)c1c(O)ccc(O)c1C2=O | 1 |
Drug 1141 | c1ccc2c(c1)C1CCCCC1C1OC21 | 0 |
Drug 1143 | Cc1ccc2[nH]c3c(C)ccc(C)c3c2c1 | 1 |
Drug 1145 | CN=NO | 1 |
Drug 1146 | O=[N+]([O-])c1ccc2c(c1)c([N+](=O)[O-])cc1c([N+](=O)[O-])cccc12 | 1 |
Drug 1147 | Nc1ccc(Cc2ccc(N)cc2)cc1 | 1 |
Drug 1148 | NCCCCCCN | 0 |
Drug 1150 | C=CCNC(N)=S | 0 |
Drug 1151 | CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)OC1OC=CC41 | 1 |
Drug 1152 | CN(C)c1ccc(/C=C/C(=O)c2ccccc2)cc1 | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.