ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1164 | COc1ccc(C(=O)c2nc3ccccc3n2C(C)C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2][O][C] | c16nc2ccccc2n18.c14ccc7cc15.C67=O.C8(C)C.CO4.O5C |
1165 | Cc1nc2cc(NCc3nc4ccccc4n3C)ccc2n1C | [C][C][=N][C][=C][C][Branch1][P][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][C][=C][Ring2][Ring1][C][N][Ring2][Ring1][Branch1][C] | Cc1nc2cc6ccc2n1C.c17nc2ccccc2n1C.N56.C57 |
1167 | Cc1ccc(NC(=O)CSc2nnc3n(N)cnn23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Branch1][C][N][C][=N][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c17nnc2n(N)cnn12.Cc1ccc6cc1.C4(=O)C5.N46.S57 |
1168 | NC(=O)CSc1nnnn1-c1ccc(F)cc1F | [N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c13ccc(F)cc1F.c14nnnn13.NC(=O)C2.S24 |
1169 | CCOC(=O)C1=C(C)N(CCO)C(=O)NC1c1cccc(O)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][C][Ring1][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | C2(=O)C1=C(C)N4C(=O)NC15.c15cccc(O)c1.C4CO.CC3.O23 |
1171 | Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc5c(C)c1.n16nnc7n1.c17ccccc1.C4(=O)C6.N45 |
1172 | O=C(CSc1nnnn1-c1ccccc1)Nc1cccc(O)c1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | c14cccc(O)c1.c16nnnn15.c15ccccc1.O=C2C3.S36.N24 |
1173 | CCNC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1 | [C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][=C] | C16CC(=O)N7C1.c17ccc4cc1.C36=O.CC5.N35.O4C |
1174 | N#Cc1c(-c2ccco2)cc(C2CC2)nc1SCC(N)=O | [N][#C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][=C][S][C][C][Branch1][C][N][=O] | N#Cc1c6cc5nc14.c16ccco1.C3C(N)=O.C15CC1.S34 |
1175 | COc1ccc(C=c2sc3nc4c(C)cccc4n3c2=O)cc1O | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][S][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Branch1][O] | c15ccc(C=c2sc3nc4c(C)cccc4n3c2=O)cc1O.CO5 |
1177 | c1cc2c(cc1Nc1nc3nonc3nc1N1CCOCC1)OCO2 | [C][=C][C][=C][Branch2][Ring1][O][C][=C][Ring1][=Branch1][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][=C][Ring1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][O][C][O][Ring2][Ring1][#Branch1] | c14nc2nonc2nc15.c1cc2c(cc16)OCO2.N15CCOCC1.N46 |
1178 | NC(=O)CSc1nnnn1-c1ccc(F)cc1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13ccc(F)cc1.c14nnnn13.NC(=O)C2.S24 |
1179 | O=C(CSc1nc2ccccc2s1)Nc1ncccn1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1] | c16nc2ccccc2s1.c15ncccn1.O=C3C4.S46.N35 |
1181 | Nc1c(C(=O)C2CC2)sc2nc3c(cc12)CCC3 | [N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch1] | Nc1c4sc2nc3c(cc12)CCC3.C45=O.C15CC1 |
1182 | COc1ccccc1N1C(=O)c2ccccc2NC1c1ccncc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1] | N14C(=O)c2ccccc2NC15.c13ccccc14.c15ccncc1.CO3 |
1183 | O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)N1CCCCC1 | [O][=C][Branch2][Ring1][=Branch2][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c16nnnn15.N13CCCCC1.O=C3C4.S46 |
1185 | COc1ccc(-c2cc3c(c(=O)[nH]2)c(=O)oc2ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | c15cc2c(c(=O)[nH]1)c(=O)oc1ccccc12.c14ccc5cc1.CO4 |
1186 | Nc1nc(-c2ccccc2O)nc2c1c(=O)oc1ccccc12 | [N][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | Nc1nc3nc2c1c(=O)oc1ccccc12.c13ccccc1O |
1187 | N#Cc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl | [N][#C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Cl] | N#Cc1cc(S3(=O)=O)ccc1Cl.N13CCOCC1 |
1188 | Nc1c(C(=O)C2CC2)sc2nc3c(cc12)CCCC3 | [N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=C][Ring1][=Branch1][C][C][C][C][Ring1][Branch2] | Nc1c4sc2nc3c(cc12)CCCC3.C45=O.C15CC1 |
1189 | Cc1ccccc1N1CC(C(=O)NC(C)C)CC1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][O][=O] | Cc1ccccc15.N15CC4CC1=O.C24=O.C3(C)C.N23 |
1190 | COC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 | [C][O][C][=Branch1][C][=O][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring1] | C4(=O)n1c(=O)oc2cc(S5(=O)=O)ccc21.N15CCCCC1.CO4 |
1191 | CCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 | [C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][F][C][C][Ring1][S] | c14ccc5cc1F.N13CCN4CC1.CCC3=O.C5(C)=O |
1192 | CC1C(=O)OC(c2ccc(Br)cc2)C(C)(C)C1=O | [C][C][C][=Branch1][C][=O][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][S][=O] | CC1C(=O)OC3C(C)(C)C1=O.c13ccc(Br)cc1 |
1193 | CC(=O)c1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(F)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][#C][C][Branch1][C][F][=C][Ring2][Ring1][=Branch1] | c16ccc5c(F)c1.N15CCN4CC1.c17cccc(F)c1.CC6=O.C47=O |
1194 | CCC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(F)c1 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][Branch1][C][F][=C][Ring1][S] | c15ccc4c(F)c1.N14CCN3CC1.CCC5=O.C3(C)=O |
1195 | CCCC(=O)N1CCN(c2ccc(C(=O)CC)cc2F)CC1 | [C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][=C][Ring1][#Branch2][F][C][C][Ring1][P] | c14ccc5cc1F.N13CCN4CC1.CCCC3=O.C5(=O)CC |
1196 | CCC(C)NC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][=C] | C16CC(=O)N7C1.c17ccc4cc1.CCC5C.C36=O.N35.O4C |
1197 | CCc1ccc(N2C(=O)c3ccccc3NC2(C)C)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1] | N15C(=O)c2ccccc2NC1(C)C.c14ccc5cc1.CC4 |
1199 | O=C(c1ccccc1)C(CC(=O)N1CCOCC1)c1ccccc1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C3C4CC2=O.c13ccccc1.N12CCOCC1.c14ccccc1 |
1200 | CC(=O)Nc1ccc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][Ring2][Ring1][Branch1] | C6(=O)CC1(O)C(=O)N(C)c2ccccc21.c15ccc6cc1.CC4=O.N45 |
1201 | COC(=O)c1sc2nc3c(cc2c1N)CC(C)CC3 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][C][Branch1][C][C][C][C][Ring1][O] | c15sc2nc3c(cc2c1N)CC(C)CC3.C45=O.CO4 |
1202 | CCCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 | [C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][F][C][C][Ring1][S] | c14ccc5cc1F.N13CCN4CC1.CCCC3=O.C5(C)=O |
1203 | CCCC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(F)c1 | [C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][Branch1][C][F][=C][Ring1][S] | c15ccc4c(F)c1.N14CCN3CC1.CCCC5=O.C3(C)=O |
1205 | O=C(CCn1c(=O)sc2ccccc21)n1c(=O)oc2ccccc21 | [O][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | O=C(CC3)n1c(=O)oc2ccccc21.n13c(=O)sc2ccccc21 |
1206 | CCOC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CCCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][S][C][=C][Ring1][=C][C][C][C][C][Ring1][=Branch1] | c17c6sc2c1CCCC2.c18ccoc1C.C37=O.C48=O.CC5.O35.N46 |
1207 | COc1ccc(N2CC(C(=O)NCc3ccco3)CC2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | c15ccc9cc1.N19CC7CC1=O.c18ccco1.C47=O.CO5.N46.C68 |
1210 | N#Cc1cc2c(nc1SCC(=O)NCCc1ccccc1)CCC2 | [N][#C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring2][Ring1][Ring2] | N#Cc1cc2c(nc17)CCC2.c16ccccc1.C5C3=O.C4C6.S57.N34 |
1211 | O=C(COc1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.c15ccc(Cl)cc1.O=C3C4.O45.N36.C67 |
1212 | COC(=O)c1c(NC(=O)C2CC2c2ccccc2)sc(C)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Branch1][C][C][=C][Ring2][Ring1][C][C] | c17c5sc(C)c1C.c18ccccc1.C16CC18.C37=O.C46=O.CO3.N45 |
1213 | CCSc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 | [C][C][S][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c19cc4c5c6c1.c1%10ccc8cc1.C39=O.CC7.S7%10.N38.O4C.O5C.O6C |
1214 | O=C1c2ccccc2NC(c2ccncc2)N1c1ccccn1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][S][C][=C][C][=C][C][=N][Ring1][=Branch1] | O=C1c2ccccc2NC4N13.c14ccncc1.c13ccccn1 |
1215 | CSc1ccccc1C(=O)Nc1cccc(C(C)O)c1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][O][=C][Ring1][=Branch2] | c16ccccc14.c13cccc5c1.C24=O.C5(C)O.CS6.N23 |
1216 | CC(=O)c1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][C] | N4C1=NS(=O)(=O)c2ccccc21.c15cccc4c1.CC5=O |
1217 | O=C(NCSc1nc2ccccc2s1)c1ccco1 | [O][=C][Branch1][P][N][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][C][=C][O][Ring1][Branch1] | c15nc2ccccc2s1.c14ccco1.N3CS5.O=C34 |
1218 | O=C(NC1CC1)c1sc2ccccc2c1Cl | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl] | c15sc2ccccc2c1Cl.O=C35.C14CC1.N34 |
1219 | CCC(Oc1ccccc1)C(=O)NCc1ccncc1 | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | CCC3C2=O.c14ccccc1.c16ccncc1.O34.N25.C56 |
1220 | O=c1cc(C(F)(F)F)[nH]n1-c1nc2ccccc2s1 | [O][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][N][Ring1][=Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c14nc2ccccc2s1.O=c1cc3[nH]n14.C3(F)(F)F |
1221 | Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1 | [C][C][=C][S][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][Ring1][P] | c16ccc2c(c1)OCO2.Cc1csc5n1.C46=O.N45 |
1223 | Nc1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 | [N][C][N][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][S][N][=Ring2][Ring1][Ring1] | Nc1nc2nc5cc4n2n1.c15ccccc1.C4(F)(F)F |
1226 | CC(=O)c1sc(NC(=O)C2CC3CCC2C3)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][=N][C][=Ring1][#C][C] | c16sc5nc1C.C17CC2CCC1C2.CC6=O.C47=O.N45 |
1229 | FC(F)(F)c1cc(-c2cccs2)nc2ncnn12 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=N][C][=N][N][Ring1][=C][Ring1][Branch1] | c13cc4nc2ncnn12.c14cccs1.FC3(F)F |
1230 | O=C(NCc1cccnc1)c1sc2ccccc2c1Cl | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl] | c15sc2ccccc2c1Cl.c16cccnc1.O=C35.N34.C46 |
1231 | Cc1ccc(C)c(NC(=O)CC(C)C2COCCO2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][O][C][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | Cc1ccc(C)c4c1.C3(=O)CC5C.C15COCCO1.N34 |
1232 | OC(c1nc2ccccc2[nH]1)C(O)c1nc2ccccc2[nH]1 | [O][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c13nc2ccccc2[nH]1.c14nc2ccccc2[nH]1.OC3C4O |
1235 | COc1c2c(nc3ccccc13)OC(C(C)(O)CO)C2 | [C][O][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][O][C][O][C][Ring1][P] | c14c2c(nc3ccccc13)OC5C2.C5(C)(O)CO.CO4 |
1236 | COc1cc(=O)n(C)c2c(OCC(O)C(C)(C)O)cccc12 | [C][O][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][#C][O][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=C] | c14cc(=O)n(C)c2c5cccc12.C3C(O)C(C)(C)O.CO4.O35 |
1237 | Cc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][C] | c15ccc2c(c1)OCO2.Cc1cccc6c1.C46=O.N45 |
1241 | CC(C)OC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][=C][Ring1][O][C][C][C][C][Ring1][=Branch1] | c18c6sc2c1CCCC2.CC5C.C38=O.C47=O.C17CC1.O35.N46 |
1242 | Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(F)cc1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1onc7c15.c16ccc(F)cc1.c17ccccc1.C35=O.N34.C46 |
1243 | O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCO2 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c14ccc(F)c(Cl)c1.O=C35.N34 |
1244 | O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)OCO2 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c14ccc(F)cc1F.O=C35.N34 |
1245 | O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c14ccc(F)c(F)c1.O=C35.N34 |
1246 | COc1cc(NC(=O)c2ccc3c(c2)OCO3)c(OC)cc1Cl | [C][O][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Ring2][Cl] | c15cc7c6cc1Cl.c18ccc2c(c1)OCO2.C48=O.CO5.N47.O6C |
1247 | CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1 | [C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][S] | S5(=O)(=O)c1ccc6cc1.c17ccccc1F.CC3=O.C47=O.N35.N46 |
1248 | NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | NS(=O)(=O)c1ccc4cc1.c15ccccc1.C3(=O)CC5.N34 |
1250 | O=C(Nc1ccccc1C(F)(F)F)c1cnccn1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][N][=C][C][=N][Ring1][=Branch1] | c13ccccc15.c14cnccn1.C5(F)(F)F.O=C24.N23 |
1251 | CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | S5(=O)(=O)c1ccc6cc1.c17ccccc1.C4(=O)CC7.CC3=O.N35.N46 |
1254 | Cc1ccc(NC(=O)c2cnccn2)c(Br)c1 | [C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Branch1][C][Br][=C][Ring1][S] | Cc1ccc4c(Br)c1.c15cnccn1.C35=O.N34 |
1255 | CCOc1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c15ccc(S(N)(=O)=O)cc1.c14ccccc16.C26=O.CC3.O34.N25 |
1257 | Cc1sc(NC(=O)c2cccc(F)c2)c(C(N)=O)c1C | [C][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][C][C] | Cc1sc4c6c1C.c15cccc(F)c1.C35=O.C6(N)=O.N34 |
1258 | COC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC(C)C2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][=C][Ring1][=N][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | c17c5sc2c1CCC(C)C2.c16ccco1.C37=O.C46=O.CO3.N45 |
1259 | CCSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 | [C][C][S][C][=N][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][S][Ring1][P] | c17ccc2c(c1)OCO2.c18nnc6s1.C47=O.CC5.S58.N46 |
1260 | CCOc1ccccc1C(=O)Nc1sc(C)c(C)c1C(N)=O | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O] | c15sc(C)c(C)c17.c14ccccc16.C26=O.C7(N)=O.CC3.O34.N25 |
1263 | COc1ccc(NC(=O)c2cnccn2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][P] | c14ccc6c5c1.c17cnccn1.C37=O.CO4.N36.O5C |
1264 | Cc1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C(N)=O)c1C | [C][C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][Ring1][C] | Cc1sc4c6c1C.c15ccc(Cl)cc1Cl.C35=O.C6(N)=O.N34 |
1265 | Cc1sc(NC(=O)c2cccnc2)c(C(N)=O)c1C | [C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring1][P][C] | Cc1sc4c6c1C.c15cccnc1.C35=O.C6(N)=O.N34 |
1267 | CC(C)OC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCC2 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][C][Ring1][=Branch1] | c17c6sc2c1CCCC2.c18cccnc1.CC5C.C37=O.C48=O.O35.N46 |
1269 | CCc1nnc(NC(=O)C(CC)c2ccccc2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P] | c15nnc4s1.C3(=O)C6CC.c16ccccc1.CC5.N34 |
1270 | Cc1ccccc1C(=O)Nc1sc(C)c(C)c1C(N)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O] | c13sc(C)c(C)c15.Cc1ccccc14.C24=O.C5(N)=O.N23 |
1274 | Cc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCC(C)C2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][Branch1][C][C][C][Ring1][O] | c14sc2c(c16)CCC(C)C2.Cc1ccccc15.C35=O.C6(N)=O.N34 |
1277 | CCOc1ccccc1C(=O)Nc1ccccc1C(N)=O | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] | c14ccccc16.c15ccccc17.C26=O.C7(N)=O.CC3.O34.N25 |
1278 | CCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring1] | c16sc(C)c(C)c18.c15ccc7cc1.C37=O.C8(N)=O.CC4.O45.N36 |
1281 | CC1CCc2c(sc(NC(=O)C3CCCO3)c2C(N)=O)C1 | [C][C][C][C][C][=C][Branch2][Ring1][=Branch2][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=C][Ring1][=N][C][Branch1][C][N][=O][C][Ring2][Ring1][Ring2] | CC1CCc2c(sc5c27)C1.C16CCCO1.C46=O.C7(N)=O.N45 |
1283 | O=C(Nc1nc(-c2cccc3ccccc23)cs1)C1CCCO1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][S][Ring1][#C][C][C][C][C][O][Ring1][Branch1] | c17cccc2ccccc12.c15nc7cs1.C16CCCO1.O=C46.N45 |
1284 | Cc1nc(NC(=O)c2ccccc2Br)sc1C | [C][C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][S][C][=Ring1][#C][C] | Cc1nc4sc1C.c15ccccc1Br.C35=O.N34 |
1285 | COC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12 | [C][O][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring2][Ring1][Ring1][Ring1][S] | c15cnn2c6cc7nc12.c17ccccc1.C6(F)(F)F.C45=O.CO4 |
1288 | CCOC(=O)c1sc(NC(=O)c2ccco2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=N][C][=Ring1][=N][C] | c17sc6nc1C.c18ccco1.C37=O.C48=O.CC5.O35.N46 |
1291 | CC(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 | [C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][S][Ring1][=N] | c15ccc(Cl)cc1Cl.c14nnc5s1.CC3=O.N34 |
1292 | Cn1nc(C(=O)N2CCOCC2)cc1C(=O)N1CCOCC1 | [C][N][N][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | Cn1nc5cc16.N13CCOCC1.N14CCOCC1.C35=O.C46=O |
1293 | O=c1[nH]c(Cc2ccccc2)nc2c1cnn2-c1ccccc1 | [O][=C][NH1][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1[nH]c3nc2c1cnn25.c14ccccc1.c15ccccc1.C34 |
1294 | CN(C)C(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][=C][Ring1][=N][C][C][C][Ring1][Branch1] | c17c5sc2c1CCC2.c16ccco1.CN3C.C37=O.C46=O.N45 |
1295 | CC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | c15ccc4cc1.c16ccc(F)cc1.C3(=O)C6.CC5=O.N34 |
1298 | CCOC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][C][C][Ring1][#Branch1] | c17c6sc2c1CCCCC2.c18cccnc1.C37=O.C48=O.CC5.O35.N46 |
1299 | CCCc1nc(S(=O)(=O)c2ccc(C)cc2)c(NC)o1 | [C][C][C][C][=N][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Branch1][Ring1][N][C][O][Ring1][P] | c14nc(S(=O)(=O)c2ccc(C)cc2)c3o1.CCC4.N3C |
1302 | COc1ccc(C(C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][#Branch1] | c19cc5c6c7c1.c14ccc%10cc1.C8%10C.C39=O.CO4.N38.O5C.O6C.O7C |
1305 | COc1cc(C(=O)NC2CC(C)CC(C)(C)C2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c14cc8cc5c16.C17CC(C)CC(C)(C)C1.C38=O.CO4.N37.O5C.O6C |
1306 | CCc1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c19ccc2c(c1)OCO2.c18ccc6cc1.C5C4=O.CC8.O56.N47.C79 |
1307 | COc1cc(C(=O)Nc2ccccc2OC(C)C)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | c15cc%10cc7c18.c19ccccc16.C3%10=O.C4(C)C.CO5.N39.O46.O7C.O8C |
1308 | Cc1cc(Br)cc(C)c1NS(C)(=O)=O | [C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][C][=C][Ring1][Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1cc(Br)cc(C)c13.S2(C)(=O)=O.N23 |
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