ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
24221 | COc1ccc(NC(=O)Cc2noc3ccccc23)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c18noc2ccccc12.c15ccc7c6c1.C4(=O)C8.CO5.N47.O6C |
24222 | COC(=O)c1ccc(NC(=O)Cc2noc3ccccc23)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c18noc2ccccc12.c17ccc6cc1.C5(=O)C8.C47=O.CO4.N56 |
24223 | COC(=O)c1cccc(NC(=O)Cc2noc3ccccc23)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c18noc2ccccc12.c17cccc6c1.C5(=O)C8.C47=O.CO4.N56 |
24226 | CCCc1cc(C(=O)Nc2ccccc2C)n(C)n1 | [C][C][C][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][N][=Ring1][S] | c16cc5n(C)n1.c14ccccc1C.CCC6.C35=O.N34 |
24227 | CCCc1cc(C(=O)Nc2cccc(C(C)=O)c2)n(C)n1 | [C][C][C][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][N][Branch1][C][C][N][=Ring2][Ring1][C] | c17cc5n(C)n1.c14cccc6c1.CCC7.C35=O.C6(C)=O.N34 |
24228 | CCCc1cc(C(=O)Nc2ccccc2C(=O)OC)n(C)n1 | [C][C][C][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][N][Branch1][C][C][N][=Ring2][Ring1][Ring1] | c18cc6n(C)n1.c15ccccc17.CCC8.C46=O.C37=O.N45.O3C |
24229 | CCCc1cc(C(=O)Nc2ccccc2Cl)n(C)n1 | [C][C][C][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Branch1][C][C][N][=Ring1][S] | c16cc5n(C)n1.c14ccccc1Cl.CCC6.C35=O.N34 |
24230 | CCCc1cc(C(=O)Nc2ccc(OC)cc2)n(C)n1 | [C][C][C][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Branch1][C][C][N][=Ring1][P] | c17cc6n(C)n1.c15ccc4cc1.CCC7.C36=O.N35.O4C |
24231 | CCCc1cc(C(=O)Nc2c(C)cccc2C)n(C)n1 | [C][C][C][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][N][Branch1][C][C][N][=Ring1][P] | c14c(C)cccc1C.c16cc5n(C)n1.CCC6.C35=O.N34 |
24232 | CCCc1cc(C(=O)Nc2ccc(C(=O)OC)cc2)n(C)n1 | [C][C][C][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][N][Branch1][C][C][N][=Ring2][Ring1][Ring1] | c18cc6n(C)n1.c15ccc7cc1.CCC8.C46=O.C37=O.N45.O3C |
24233 | CCCc1cc(C(=O)Nc2ccccc2OC)n(C)n1 | [C][C][C][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][Branch1][C][C][N][=Ring1][P] | c17cc6n(C)n1.c15ccccc14.CCC7.C36=O.N35.O4C |
24234 | Cc1ccc2onc(Cc3nn4c(C)nnc4s3)c2c1 | [C][C][=C][C][=C][O][N][=C][Branch1][P][C][C][=N][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | Cc1ccc2onc5c2c1.c16nn2c(C)nnc2s1.C56 |
24235 | CCc1nnc2sc(-c3cc(F)c(F)c(F)c3F)nn12 | [C][C][C][=N][N][=C][S][C][Branch2][Ring1][Ring1][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][F][=N][N][Ring2][Ring1][C][Ring1][#C] | c15cc(F)c(F)c(F)c1F.c14nnc2sc5nn12.CC4 |
24236 | Cc1nnc2sc(-c3cc(F)c(F)c(F)c3F)nn12 | [C][C][=N][N][=C][S][C][Branch2][Ring1][Ring1][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][F][=N][N][Ring2][Ring1][C][Ring1][#C] | c14cc(F)c(F)c(F)c1F.Cc1nnc2sc4nn12 |
24237 | FC(F)(F)c1nnc2sc(Cc3noc4ccccc34)nn12 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][N][=C][S][C][Branch1][#C][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][N][Ring2][Ring1][C][Ring1][#C] | c15nnc2sc6nn12.c17noc2ccccc12.FC5(F)F.C67 |
24238 | Cc1ccc(NC(=O)Cc2noc3ccccc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c16noc2ccccc12.Cc1ccc5cc1.C4(=O)C6.N45 |
24239 | COc1ccc(NC(=O)Cc2noc3ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c17noc2ccccc12.c15ccc6cc1.C4(=O)C7.CO5.N46 |
24240 | Cc1nnsc1C(=O)Nc1ccc(C(=O)c2ccc(F)cc2)cc1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][#C] | c14ccc6cc1.c17ccc(F)cc1.Cc1nnsc15.C35=O.C67=O.N34 |
24242 | CCCc1nn(C)c(C(=O)Nc2ccc(OC)cc2)c1Cl | [C][C][C][C][=N][N][Branch1][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring1][P][Cl] | c17nn(C)c6c1Cl.c15ccc4cc1.CCC7.C36=O.N35.O4C |
24244 | CCCc1nn(C)c(C(=O)Nc2cc(OC)ccc2OC)c1Cl | [C][C][C][C][=N][N][Branch1][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring1][Cl] | c18nn(C)c7c1Cl.c16cc4ccc15.CCC8.C37=O.N36.O4C.O5C |
24246 | CCCc1cc(C(=O)Nc2ccc(OC)cc2OC)n(C)n1 | [C][C][C][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][N][Branch1][C][C][N][=Ring2][Ring1][Ring1] | c16ccc4cc15.c18cc7n(C)n1.CCC8.C37=O.N36.O4C.O5C |
24247 | CCCc1cc(C(=O)Nc2cc(F)ccc2C)n(C)n1 | [C][C][C][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][N][Branch1][C][C][N][=Ring1][P] | c14cc(F)ccc1C.c16cc5n(C)n1.CCC6.C35=O.N34 |
24248 | CCCc1cc(C(=O)Nc2cc(OC)ccc2OC)n(C)n1 | [C][C][C][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][N][Branch1][C][C][N][=Ring2][Ring1][Ring1] | c16cc4ccc15.c18cc7n(C)n1.CCC8.C37=O.N36.O4C.O5C |
24249 | CCCc1cc(C(=O)Nc2ccc(OC)c(OC)c2)n(C)n1 | [C][C][C][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][N][Branch1][C][C][N][=Ring2][Ring1][Ring1] | c16ccc4c5c1.c18cc7n(C)n1.CCC8.C37=O.N36.O4C.O5C |
24250 | COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][C][=C][Ring2][Ring1][Branch1][O][C] | c15ccc7cc16.c18cnn9c1C.c19ccccc1.C48=O.CO5.N47.O6C |
24251 | CCCc1nn(C)c(C(=O)Nc2ccc(OC)cc2OC)c1Cl | [C][C][C][C][=N][N][Branch1][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring1][Cl] | c18nn(C)c7c1Cl.c16ccc4cc15.CCC8.C37=O.N36.O4C.O5C |
24252 | CC(=O)Oc1cc(OC(C)=O)c2ccc(=O)oc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][#C] | c15cc6c2ccc(=O)oc2c1.CC3=O.C4(C)=O.O35.O46 |
24253 | COc1cccc(CNc2ncnc3[nH]cnc23)c1 | [C][O][C][=C][C][=C][C][Branch1][S][C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][=C][Ring1][P] | c16ncnc2[nH]cnc12.c14cccc7c1.CO4.C57.N56 |
24254 | c1ccc2c(CNc3ncnc4[nH]cnc34)cccc2c1 | [C][=C][C][=C][C][Branch1][S][C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][=C][C][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c1ccc2c7cccc2c1.c16ncnc2[nH]cnc12.C57.N56 |
24255 | COc1ccc(C=C2OC(=O)c3c(OC)cccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][O][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][Ring1][N][C][=C][Ring2][Ring1][Ring1][O][C] | C1=7OC(=O)c2c5cccc21.c14ccc(C=7)cc16.CO4.O5C.O6C |
24257 | CC(=O)OCCn1c(COC(C)=O)cc(=O)n(C)c1=O | [C][C][=Branch1][C][=O][O][C][C][N][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][=N][=O] | n16c7cc(=O)n(C)c1=O.CC2=O.C4C6.C3(C)=O.O24.C57.O35 |
24258 | CC(=O)OCCn1c(C)c(COC(C)=O)c(=O)n(C)c1=O | [C][C][=Branch1][C][=O][O][C][C][N][C][Branch1][C][C][=C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][=C][=O] | n16c(C)c7c(=O)n(C)c1=O.CC2=O.C4C6.C3(C)=O.O24.C57.O35 |
24260 | CCOC1OCCn2c1c(Br)c(=O)n(C)c2=O | [C][C][O][C][O][C][C][N][C][Ring1][=Branch1][=C][Branch1][C][Br][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][=Branch2][=O] | O3C1OCCn2c1c(Br)c(=O)n(C)c2=O.CC3 |
24261 | O=c1cc(N2CCOCC2)cnn1-c1ccccc1 | [O][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1cc3cnn14.N13CCOCC1.c14ccccc1 |
24262 | CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N | [C][C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][N][Ring2][Ring1][C][N] | c15ccc(C)cc1C.c16nnc7n1N.C4C3=O.CC6.S47.N35 |
24263 | CCc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1N | [C][C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][Ring2][Ring1][C][N] | c15cccc(Cl)c1C.c16nnc7n1N.C4C3=O.CC6.S47.N35 |
24264 | COc1cc(OC)cc(C(=O)Nc2cccc(SC)c2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][S][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1] | c14cc5cc7c1.c16cccc8c1.C37=O.CO4.O5C.N36.S8C |
24265 | CSc1cccc(NC(=O)COc2ccccc2)c1 | [C][S][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] | c17cccc6c1.c15ccccc1.C3(=O)C4.CS7.N36.O45 |
24266 | CCC1Cn2c(nc3c2c(=O)n(C)c(=O)n3C)O1 | [C][C][C][C][N][C][=Branch2][Ring1][=Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][O][Ring1][S] | C14Cn2c(nc3c2c(=O)n(C)c(=O)n3C)O1.CC4 |
24267 | CCN1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C | [C][C][N][C][C][C][N][C][Ring1][=Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | N13CCCn2c1nc1c2c(=O)n(C)c(=O)n1C.CC3 |
24268 | CCCN1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C | [C][C][C][N][C][C][C][N][C][Ring1][=Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | N13CCCn2c1nc1c2c(=O)n(C)c(=O)n1C.CCC3 |
24269 | Cn1c(=O)c2c(nc3n2CCCN3C2CCCC2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][=C][N][Ring1][Branch1][C][C][C][N][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | Cn1c(=O)c2c(nc3n2CCCN34)n(C)c1=O.C14CCCC1 |
24270 | CC1CCC(N2CCCn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1 | [C][C][C][C][C][Branch2][Ring1][=C][N][C][C][C][N][C][Ring1][=Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][C][Ring2][Ring1][#Branch1] | N14CCCn2c1nc1c2c(=O)n(C)c(=O)n1C.CC1CCC4CC1 |
24271 | CCOC(=O)c1nn(-c2ccc(C)cc2)c(C(C)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][#C][C] | c15nn7c6c1C.c17ccc(C)cc1.C35=O.C6(C)=O.CC4.O34 |
24272 | COC(=O)C(Nc1nc(C)cc(OC)n1)C(C)C | [C][O][C][=Branch1][C][=O][C][Branch1][P][N][C][=N][C][Branch1][C][C][=C][C][Branch1][Ring1][O][C][=N][Ring1][=Branch2][C][Branch1][C][C][C] | c15nc3cc(C)n1.C2(=O)C4C(C)C.CO2.N45.O3C |
24273 | COC(=O)C1CC(=O)N(Cc2ccc(OC)cc2)C1 | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][#C] | C15CC(=O)N6C1.c17ccc4cc1.C35=O.CO3.C67.O4C |
24274 | COC(=O)c1cscc1S(=O)(=O)Cc1ccccc1 | [C][O][C][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cscc1S(=O)(=O)C4.c14ccccc1.C23=O.CO2 |
24275 | O=C(COC(=O)c1cccc(O)c1)c1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15cccc(O)c1.c14ccc(Cl)cc1.O=C4C3.C25=O.O23 |
24276 | CNC(=O)c1[nH]cnc1C(=O)Nc1cccc(OC)c1 | [C][N][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | c15cccc4c1.c16[nH]cnc17.C26=O.C37=O.CN2.N35.O4C |
24277 | CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(OC)cc1 | [C][N][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c15ccc4cc1.c16[nH]cnc17.C26=O.C37=O.CN2.N35.O4C |
24278 | COc1ccccc1Cn1c(=O)oc2ccc(C)cc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][O] | n14c(=O)oc2ccc(C)cc21.c13ccccc15.CO3.C45 |
24279 | CCOc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1OC | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | n17c(=O)oc2ccc(C)cc21.c15ccc8cc16.CC4.O45.C78.O6C |
24280 | Cc1ccc2oc(=O)n(CCOc3ccccc3)c2c1 | [C][C][=C][C][=C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | Cc1ccc2oc(=O)n6c2c1.c15ccccc1.C6C4.O45 |
24281 | COc1ccccc1OCCn1c(=O)oc2ccc(C)cc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][O] | n16c(=O)oc2ccc(C)cc21.c14ccccc15.C3C6.CO4.O35 |
24283 | CC(=O)Nc1cccc(OCC(O)Cn2cnc3ccccc32)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][Branch1][C][O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | n18cnc2ccccc21.c17cccc6c1.C5C(O)C8.CC4=O.N47.O56 |
24285 | CN(C)C(=O)CCSc1nnc(-c2ccco2)o1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2] | c15nnc6o1.C3(=O)CC4.c16ccco1.CN3C.S45 |
24286 | CCN(CC)C(=O)CCSc1nnc(-c2ccco2)o1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2] | c17nnc8o1.C3(=O)CC6.c18ccco1.N345.CC4.C5C.S67 |
24287 | CCNC(=O)CCSc1nnc(-c2ccco2)o1 | [C][C][N][C][=Branch1][C][=O][C][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2] | c16nnc7o1.C3(=O)CC5.c17ccco1.CC4.N34.S56 |
24288 | O=C(CCSc1nnc(-c2ccco2)o1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring2][C][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c15nnc6o1.N13CCOCC1.O=C3CC4.c16ccco1.S45 |
24289 | O=C(CCSc1nnc(-c2ccco2)o1)N1CCCC1 | [O][=C][Branch2][Ring1][Ring2][C][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][N][C][C][C][C][Ring1][Branch1] | c15nnc6o1.O=C3CC4.c16ccco1.N13CCCC1.S45 |
24290 | O=C(CCSc1nnc(-c2ccco2)o1)Nc1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnc7o1.c15ccccc1.O=C3CC4.c17ccco1.S46.N35 |
24291 | Cc1ccccc1NC(=O)CCSc1nnc(-c2ccco2)o1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2] | Cc1ccccc15.c16nnc7o1.C3(=O)CC4.c17ccco1.N35.S46 |
24294 | CC(C)(C)NC(=O)CCSc1nnc(-c2ccco2)o1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2] | c16nnc7o1.C3(=O)CC5.c17ccco1.CC4(C)C.N34.S56 |
24295 | O=C(CSc1nnc(-c2ccco2)o1)Nc1ccccc1Cl | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.c16nnc7o1.c17ccco1.O=C3C4.S46.N35 |
24296 | O=C(CSc1nnc(-c2ccco2)o1)N1CCCCC1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1] | c15nnc6o1.N13CCCCC1.c16ccco1.O=C3C4.S45 |
24297 | Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2] | Cc1ccccc15.c16nnc7o1.c17ccco1.C3(=O)C4.N35.S46 |
24298 | CC(C)(C)C(=O)CSc1nnc(-c2ccco2)o1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2] | CC(C)(C)C(=O)C3.c14nnc5o1.c15ccco1.S34 |
24299 | Cc1cccc(-c2nnc(SCCC(=O)N3CCOCC3)o2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][S][S][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][O][Ring1][S][=C][Ring2][Ring1][=Branch1] | Cc1cccc7c1.c17nnc6o1.N14CCOCC1.C5CC4=O.S56 |
24300 | CN(C)C(=O)CSc1nnc(-c2ccccc2Br)o1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][O][Ring1][N] | c16ccccc1Br.c15nnc6o1.C3(=O)C4.CN3C.S45 |
24308 | O=C1OCCC1Sc1nnc(-c2ccccc2)o1 | [O][=C][O][C][C][C][Ring1][Branch1][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O] | O=C1OCCC14.c13nnc5o1.c15ccccc1.S34 |
24309 | CC(C)(C)NC(=O)CCSc1nnc(-c2ccccc2)o1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O] | c16nnc7o1.c17ccccc1.C3(=O)CC5.CC4(C)C.N34.S56 |
24313 | Cc1ccc(-c2nnc(SCCC(=O)N3CCOCC3)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][S][S][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.c17nnc6o1.N14CCOCC1.C5CC4=O.S56 |
24314 | CCNC(=O)CCSc1nnc(-c2ccccc2C)o1 | [C][C][N][C][=Branch1][C][=O][C][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][N] | c17ccccc1C.c16nnc7o1.C3(=O)CC5.CC4.N34.S56 |
24315 | Cc1ccccc1-c1nnc(SCCC(=O)N2CCOCC2)o1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][S][S][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][O][Ring1][S] | Cc1ccccc16.c16nnc5o1.N13CCOCC1.C4CC3=O.S45 |
24317 | CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3s2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c18nc2ccccc2s1.c16ccc7cc1.C7(=O)C5.CC4=O.N46.S58 |
24319 | O=C(CSc1cccc2cccnc12)N1CCCCCC1 | [O][=C][Branch1][P][C][S][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][#Branch1] | c15cccc2cccnc12.N13CCCCCC1.O=C3C4.S45 |
24320 | O=C(CS(=O)(=O)c1ccc2ccccc2c1)N1CCCCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1] | O=C3CS(=O)(=O)c1ccc2ccccc2c1.N13CCCCCC1 |
24321 | CN(C)C(=O)CS(=O)(=O)c1ccc2ccccc2c1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | C3(=O)CS(=O)(=O)c1ccc2ccccc2c1.CN3C |
24322 | CC(C)(C)NC(=O)CS(=O)(=O)c1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C2(=O)CS(=O)(=O)c1ccccc1.CC3(C)C.N23 |
24323 | O=C(CS(=O)(=O)c1ccccc1)N1CCCCCC1 | [O][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][#Branch1] | O=C2CS(=O)(=O)c1ccccc1.N12CCCCCC1 |
24324 | O=C(CCS(=O)(=O)c1ccc2ccccc2c1)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch2][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | O=C3CCS(=O)(=O)c1ccc2ccccc2c1.N13CCOCC1 |
24325 | O=C(CCS(=O)(=O)c1ccc2ccccc2c1)N1CCCC1 | [O][=C][Branch2][Ring1][Branch2][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][C][C][Ring1][Branch1] | O=C3CCS(=O)(=O)c1ccc2ccccc2c1.N13CCCC1 |
24326 | Cc1ccc(S(=O)(=O)CC(=O)NC(C)(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][P] | Cc1ccc(S(=O)(=O)CC2=O)cc1.C3(C)(C)C.N23 |
24327 | Cc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2Cl)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S(=O)(=O)CC3=O)cc1.c14ccccc1Cl.N34 |
24328 | Cc1ccc(S(=O)(=O)CC(=O)N2CCCCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S(=O)(=O)CC3=O)cc1.N13CCCCCC1 |
24329 | Cc1cc(C)nc(SCCC(=O)N2CCCCC2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][S][S][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | Cc1cc(C)nc5n1.N13CCCCC1.C4CC3=O.S45 |
24332 | CCN(CC)C(=O)CCSc1nnnn1-c1ccccc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnnn16.c16ccccc1.C2(=O)CC5.N234.CC3.C4C.S57 |
24333 | O=C(CCSc1nnnn1-c1ccccc1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15nnnn14.c14ccccc1.N12CCOCC1.O=C2CC3.S35 |
24334 | Cc1ccccc1NC(=O)CCSc1nnnn1-c1ccccc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ccccc14.c16nnnn15.c15ccccc1.C2(=O)CC3.N24.S36 |
24336 | Cn1cnnc1SCCC(=O)Nc1ccc(Cl)cc1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.Cn1cnnc15.C3CC2=O.S35.N24 |
24337 | Cc1ccc(NC(=O)CCSc2ccccn2)cc1 | [C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16ccccn1.C3(=O)CC4.N35.S46 |
24339 | Cc1cccc(NC(=O)CCSc2nncn2C)c1 | [C][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][Ring2][Ring1][C] | Cc1cccc5c1.c16nncn1C.C3(=O)CC4.N35.S46 |
24341 | O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc(Cl)cn1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | c15ccc(Cl)cn1.c16nnc7o1.c17cccnc1.O=C3C4.S46.N35 |
24343 | O=C(CSc1nnc(-c2cccc(F)c2)o1)Nc1ccccn1 | [O][=C][Branch2][Ring1][#Branch1][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][Ring1][N][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c17cccc(F)c1.c16nnc7o1.c15ccccn1.O=C3C4.S46.N35 |
24344 | O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(Cl)cn1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | c15ccc(Cl)cn1.c16nnc7o1.c17ccccc1.O=C3C4.S46.N35 |
24345 | CNS(=O)(=O)c1ccc(C)c(S(=O)(=O)NC)c1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Ring1][N] | S2(=O)(=O)c1ccc(C)c(S3(=O)=O)c1.CN2.N3C |
24346 | CCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][S] | N14CCC6CC1.c15cccc(Cl)c1.CCCS4(=O)=O.C36=O.N35 |
24347 | CCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2F)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][S] | N14CCC6CC1.c15ccccc1F.CCCS4(=O)=O.C36=O.N35 |
24348 | NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O | [N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=C][Ring1][P][O] | c15cc(S3(=O)=O)ccc1O.c14ccccc1Cl.NC5=O.N34 |
24349 | NC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1O | [N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][O] | c15cc(S3(=O)=O)ccc1O.c14cccc(F)c1.NC5=O.N34 |
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