Drug_ID string | Drug string | Y int64 |
|---|---|---|
Drug 1154 | CCO[P@](=O)(NC(C)C)Oc1ccc(SC)c(C)c1 | 0 |
Drug 1155 | Cc1cc2c(O)cccc2c2cc3c(cc12)C=CC(O)C3O | 1 |
Drug 1156 | Cc1c(N=O)c(=O)n(-c2ccccc2)n1C | 1 |
Drug 1157 | CC1=C(C(=O)Nc2ccccc2)SCCO1 | 0 |
Drug 1159 | CC(N)(CN=[N+]=[N-])C(=O)O | 1 |
Drug 1160 | Cc1cc2c(C)c3ccccc3c(C)c2cc1C | 1 |
Drug 1161 | COc1cc(OC)c2c(=O)c3c(O)ccc(OC)c3oc2c1 | 1 |
Drug 1162 | C[C@]12CC(C=O)=C(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O | 0 |
Drug 1164 | O=[N+]([O-])c1cc2c3c(ccc4cccc(c43)CC2)c1 | 1 |
Drug 1165 | CC(=O)OCN(C)N=O | 1 |
Drug 1166 | COC(=O)/C(=C/c1ccc([N+](=O)[O-])o1)[N+](=O)[O-] | 1 |
Drug 1167 | O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O | 0 |
Drug 1169 | Cc1[nH]c2c(c3nc4ccccc4c1-3)C(=O)C(N1CCN(C)CC1)=CC2=O | 1 |
Drug 1171 | Nc1ccccc1C(=O)CC(N)C(=O)O | 0 |
Drug 1173 | c1ccc2c(c1)Cc1c-2ccc2ccc3ccccc3c12 | 1 |
Drug 1177 | COC(=O)c1ccc(O)cc1 | 0 |
Drug 1179 | CCCCNCCCC | 0 |
Drug 1180 | CCOC(=O)N(CCO)N=O | 1 |
Drug 1182 | Oc1ccc2ccccc2c1 | 0 |
Drug 1183 | Brc1c(Br)c(Br)c(Br)c(Br)c1Br | 0 |
Drug 1184 | CN(C)CCNC(=O)c1ccc2c(N)c3ccccc3nc2c1 | 0 |
Drug 1185 | CC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1OCC(O)CNC(C)(C)C | 0 |
Drug 1186 | CN(C)C(c1ccccc1)(c1ccccc1)N(C)C | 0 |
Drug 1187 | Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1 | 0 |
Drug 1189 | CC(C)(Oc1ccc([C@H]2CCCc3ccccc32)cc1)C(=O)O | 0 |
Drug 1191 | O=c1c(=O)c2cccc3ccc4cccc1c4c32 | 0 |
Drug 1196 | CN(C)CCNC(=O)c1cccc2c1Oc1ccccc1O2 | 1 |
Drug 1198 | OCCOc1cc(Cl)c(Cl)cc1Cl | 0 |
Drug 1200 | CN(Cc1ccc(Cl)cc1)N=O | 1 |
Drug 1202 | CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C | 0 |
Drug 1203 | CC(=O)N1CCC[C@H]1C(=O)N(CC(=O)O)N=O | 1 |
Drug 1204 | CC1C=C(C=O)C(C=O)=CC2CC(C)(C)CC12 | 0 |
Drug 1205 | Cc1cc2ccccc2c2cc([N+](=O)[O-])c3ccccc3c12 | 1 |
Drug 1206 | COc1cccc(CN2C3c4ccccc4-c4ccccc4C32)c1 | 1 |
Drug 1207 | CC(C)(C)c1cccc(C(C)(C)C)c1O | 0 |
Drug 1208 | COc1ccc([N+](=O)[O-])ccc1=O | 1 |
Drug 1209 | C[C@@H]1O[C@H]1c1ccccc1 | 0 |
Drug 1211 | CC(=O)c1ccc(CC(C)C)cc1 | 0 |
Drug 1212 | CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)C(=O)C1=O | 0 |
Drug 1217 | COCc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O | 1 |
Drug 1218 | Nc1cnc2ccc3ccccc3c2c1 | 1 |
Drug 1220 | C/C=C\C=C/C=O | 1 |
Drug 1222 | OC1c2cc3c4ccccc4c4ccccc4c3cc2C2OC2C1O | 1 |
Drug 1224 | c1ccccc1 | 0 |
Drug 1225 | CC(C)COC(=O)COc1cc(Cl)c(Cl)cc1Cl | 0 |
Drug 1227 | CC(=O)/C(=N/O)C(=O)N(c1ccccc1)N(C)N=O | 1 |
Drug 1228 | COP(=S)(OC)Oc1ccc(SC)c(C)c1 | 0 |
Drug 1230 | COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2)cc1O | 0 |
Drug 1231 | C=C[C@@H]1CC=CCC1 | 0 |
Drug 1232 | C1=CC2CCCCC2c2ccccc21 | 1 |
Drug 1233 | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C | 1 |
Drug 1234 | NC(=O)CN1C[C@H](O)CC1=O | 0 |
Drug 1235 | O=C(O)CCCC(=O)O | 0 |
Drug 1236 | C=CCc1ccc(O)c(OC)c1 | 0 |
Drug 1238 | CCC(C)C=O | 0 |
Drug 1239 | CCOP(=S)(OCC)SCSC(C)(C)C | 0 |
Drug 1240 | Cc1ccc(S(=O)(=O)O)cc1C | 0 |
Drug 1241 | CC(=O)Nc1ccc(/C=C/C(=O)c2ccccc2)cc1 | 1 |
Drug 1243 | Oc1ccccc1O | 0 |
Drug 1245 | CC(=O)O[C@@H]1Cc2c3ccc4ccccc4c3cc3ccc(C)c1c23 | 1 |
Drug 1246 | Brc1c2ccccc2cc2c1ccc1ccccc12 | 1 |
Drug 1248 | c1ccc(Cc2ccc(OCC3CO3)cc2)cc1 | 1 |
Drug 1249 | O=NN1CC=CCC1 | 1 |
Drug 1252 | O[C@@H]1C=Cc2c(ccc3cc4ccccc4cc23)[C@H]1O | 1 |
Drug 1253 | ClCc1c2ccccc2c(Cl)c2ccccc12 | 1 |
Drug 1254 | NC(=O)N(CCC[C@@H](N)C(=O)O)N=O | 1 |
Drug 1255 | O=CN(O)c1cccc(Cl)c1 | 0 |
Drug 1256 | C1CCC2OCCOCCOCCOC3CCCCC3OCCOCCOCCOC2C1 | 0 |
Drug 1257 | C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C | 1 |
Drug 1258 | CCCCN(CC(O)c1ccc(O)cc1)N=O | 0 |
Drug 1259 | CNc1ccc(N=Nc2ccc(N(C)C(C)=O)cc2)cc1 | 1 |
Drug 1262 | COc1ccc2[nH]c3c(C)cc(N)c(C)c3c2c1 | 1 |
Drug 1264 | CC(=O)OCc1cc(C(C)=O)ccc1OC(C)=O | 1 |
Drug 1265 | CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1 | 0 |
Drug 1266 | Nc1c2c(nc3ccccc13)CCCC2 | 1 |
Drug 1267 | C[n+]1cccc(C(=O)O)c1 | 0 |
Drug 1268 | O=[N+]([O-])c1ccccc1-c1ccccc1 | 0 |
Drug 1269 | C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C | 0 |
Drug 1270 | Nc1nc(O)c2nc(O)n(C3CC(O)C(CO)O3)c2n1 | 0 |
Drug 1271 | N#Cc1cccc2cccnc12 | 1 |
Drug 1272 | O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 | 1 |
Drug 1273 | O=C(C(Cl)Cl)C(Cl)(Cl)Cl | 1 |
Drug 1274 | NC(=O)N(CCC(=O)O)N=O | 1 |
Drug 1275 | COc1ccc(CO)cc1 | 0 |
Drug 1278 | O=[N+]([O-])c1ccc(S)cc1 | 1 |
Drug 1279 | N#Cc1ccc(/C=C/c2ccc(N)cc2)cc1 | 1 |
Drug 1280 | COc1ccc([N+](=O)[O-])cc1N | 1 |
Drug 1282 | C=C(Br)C(=O)O | 0 |
Drug 1284 | Cc1cc(N=Nc2cccnc2)c(N)cc1N | 1 |
Drug 1285 | CCCCOP(=O)(OCCCC)Oc1ccccc1 | 0 |
Drug 1286 | CC(C)CCO | 0 |
Drug 1288 | O=C(O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2 | 1 |
Drug 1289 | Nc1nc(N)c2[nH]cnc2n1 | 0 |
Drug 1290 | N#Cc1ccccc1[N+](=O)[O-] | 0 |
Drug 1292 | O=C(O)/C=C/c1ccccc1[N+](=O)[O-] | 0 |
Drug 1293 | Nc1ccc(S(=O)(=O)O)c2ccccc12 | 0 |
Drug 1296 | CCCCON(OC(C)=O)C(=O)c1ccc(C)cc1 | 1 |
Drug 1300 | O=C1OCC(C(Cl)Cl)=C1Cl | 1 |
Drug 1301 | C=C(C)C(=O)OCCCCOC(=O)C(=C)C | 0 |
Drug 1303 | CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccccc2)cc1 | 1 |
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