ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
19280 | CC(NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)c1ccccc1 | [C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15nc6c2c1CCC2.c17ccccc1.C3(=O)C5.C6(F)(F)F.CC47.N34 |
19281 | COc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(C)cc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][N][C][=C][Ring2][Ring1][Branch1][O][C] | C6(=O)CC1(O)C(=O)Nc2ccc(C)cc21.c14ccc6cc15.CO4.O5C |
19282 | CC(C)(C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Branch1] | n15nc6c2c1CCC2.CC4(C)C.C3(=O)C5.C6(F)(F)F.N34 |
19283 | O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1ccc(F)cc1F | [O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | n15nc6c2c1CCC2.c14ccc(F)cc1F.O=C3C5.C6(F)(F)F.N34 |
19284 | COc1ccc2c(c1)c(=O)oc1c(C)c(O)ccc12 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][=C][Ring1][Branch2][Ring1][=C] | c13ccc2c(c1)c(=O)oc1c(C)c(O)ccc12.CO3 |
19285 | Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)no1 | [C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Branch1][=N][O][Ring2][Ring1][Branch1] | n16nc7c2c1CCC2.Cc1cc5no1.C4(=O)C6.C7(F)(F)F.N45 |
19286 | Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | n16nc7c2c1CCC2.Cc1ccc5cc1.C4(=O)C6.C7(F)(F)F.N45 |
19287 | CCOC(=O)CCc1c(C)[nH]c2cc(-c3ccccc3)nn2c1=O | [C][C][O][C][=Branch1][C][=O][C][C][C][=C][Branch1][C][C][NH1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][Ring1][S][=O] | c16c(C)[nH]c2cc7nn2c1=O.c17ccccc1.C4(=O)CC6.CC5.O45 |
19288 | COc1cccc(NC(=O)Cc2ccc(F)cc2)c1 | [C][O][C][=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][Ring1][P] | c14cccc5c1.c16ccc(F)cc1.C3(=O)C6.CO4.N35 |
19289 | CC(C)CNC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][=Branch1] | n15nc6c2c1CCCC2.CC(C)C4.C3(=O)C5.C6(F)(F)F.N34 |
19290 | CCOc1ccccc1C(=O)NCc1ccccc1OC | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c14ccccc17.c18ccccc15.C27=O.CC3.O34.N26.C68.O5C |
19291 | CC(=O)Oc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1] | c16ccc8cc1.N15CCN7CC1.c17ccccc1F.CC4=O.C58=O.O46 |
19292 | CCOc1ccccc1C(=O)Nc1cccc(NC(C)=O)c1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2] | c15ccccc18.c16cccc7c1.C28=O.C3(C)=O.CC4.O45.N26.N37 |
19293 | CCc1c(C(C)O)oc2ccc3c(C)cc(=O)oc3c12 | [C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][O][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring2][Ring1][C][Ring1][N] | c15c4oc2ccc3c(C)cc(=O)oc3c12.C4(C)O.CC5 |
19294 | COc1ccc(C)cc1NC(=O)c1ccc(NC(C)=O)cc1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c14ccc(C)cc15.c17ccc6cc1.C27=O.C3(C)=O.CO4.N25.N36 |
19295 | CC(=O)Oc1ccc2c(C)cc(=O)oc2c1OC(C)=O | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][O][C][Branch1][C][C][=O] | c15ccc2c(C)cc(=O)oc2c16.CC3=O.C4(C)=O.O35.O46 |
19296 | COc1ccc(C)cc1NC(=O)c1ccc2c(c1)OCO2 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c14ccc(C)cc15.C36=O.CO4.N35 |
19297 | CC(C)c1ccc(OCC(=O)NCc2ccncc2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17ccc5cc1.c18ccncc1.C4C3=O.CC7C.O45.N36.C68 |
19299 | Cc1ccc(NC(=O)c2ccc(N(C)C)cc2)nc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][=C][Ring2][Ring1][C] | Cc1ccc4nc1.c16ccc5cc1.C36=O.N5(C)C.N34 |
19300 | Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][=C][Ring2][Ring1][#Branch1] | n16cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccc5nc1.C4(=O)C6.N45 |
19301 | CN(C)c1ccc(C(=O)Nc2ccc(Cl)cn2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc6cc1.c14ccc(Cl)cn1.CN5C.C36=O.N34 |
19302 | CC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring1][S] | c16ccc7cc1.c15ccc(Cl)cn1.CC3=O.C47=O.N36.N45 |
19307 | N#Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | N#Cc1ccc4cc1.c15ccccc1.S3(=O)(=O)C5.N34 |
19308 | NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | NS(=O)(=O)c1ccc4cc1.c15ccccc1.S3(=O)(=O)C5.N34 |
19319 | Cc1onc(-c2ccccc2)c1C(=O)Nc1nccs1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | Cc1onc6c15.c16ccccc1.c14nccs1.C35=O.N34 |
19320 | Cc1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1C | [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][C] | c18ccc2c(c1)OCO2.Cc1ccc6cc1C.C5C4=O.O56.N47.C78 |
19323 | C#Cc1cccc(NC(=O)COc2ccc(Cl)cc2)c1 | [C][#C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C] | C#Cc1cccc6c1.c15ccc(Cl)cc1.C3(=O)C4.N36.O45 |
19324 | COc1ccc(Cl)cc1NS(=O)(=O)Cc1ccccc1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12ccc(Cl)cc14.c15ccccc1.S3(=O)(=O)C5.CO2.N34 |
19325 | COc1cc(NS(=O)(=O)Cc2ccccc2)c(OC)cc1Cl | [C][O][C][=C][C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Ring1][Cl] | c13cc6c4cc1Cl.c17ccccc1.S5(=O)(=O)C7.CO3.N56.O4C |
19326 | COCC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c18cc6c9cc17.c1%10ccccc1.C5C3=O.C4%10=O.CO5.N38.O6C.N49.O7C |
19327 | COc1ccc(C(=O)Nc2cc(C)cc(C)c2O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][C][O][C] | c16cc(C)cc(C)c1O.c14ccc7cc15.C37=O.CO4.N36.O5C |
19328 | CCOc1ccccc1NS(=O)(=O)Cc1ccccc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccccc15.c16ccccc1.S4(=O)(=O)C6.CC2.O23.N45 |
19329 | COC(=O)c1ccccc1NS(=O)(=O)Cc1ccccc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc14.c16ccccc1.S3(=O)(=O)C6.C25=O.CO2.N34 |
19330 | O=S(=O)(Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N13CCN4CC1.c14ccc(F)cc1.c15ccccc1.O=S3(=O)C5 |
19331 | O=S(=O)(Cc1ccccc1)Nc1ccccc1Cl | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c13ccccc1Cl.c14ccccc1.O=S2(=O)C4.N23 |
19332 | NS(=O)(=O)c1ccc(CCNC(=O)C2CCCCC2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P] | NS(=O)(=O)c1ccc6cc1.C15CCCCC1.C6C4.C35=O.N34 |
19333 | CC(=O)Nc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | c16ccc7cc1.c18ccc(Cl)cc1.CC3=O.C47=O.N36.N45.C58 |
19334 | O=S(=O)(Cc1ccccc1)NCc1ccco1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][O][Ring1][Branch1] | c15ccccc1.O=S3(=O)C5.c14ccco1.N23.C24 |
19335 | O=S(=O)(Cc1ccccc1)Nc1cccc(Cl)c1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c13cccc(Cl)c1.c14ccccc1.O=S2(=O)C4.N23 |
19336 | COCC(=O)NC(c1ccccc1)c1ccccc1 | [C][O][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.c16ccccc1.C3C2=O.C456.CO3.N24 |
19339 | O=S(=O)(Cc1ccccc1)Nc1ccc(F)cc1F | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c13ccc(F)cc1F.c14ccccc1.O=S2(=O)C4.N23 |
19340 | C=CCN(CC=C)C(=O)c1c(-c2ccccc2Cl)noc1C | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][O][C][=Ring1][N][C] | c16c7noc1C.c17ccccc1Cl.C=CC4.N345.C5C=C.C36=O |
19341 | Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(C)CC(C)C1 | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2] | N13CC(C)CC(C)C1.Cc1onc5c14.c15ccccc1Cl.C34=O |
19342 | Cc1ccnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][O][C][=Ring1][N][C][=C][Ring2][Ring1][=Branch1] | Cc1ccnc5c1.c16c7noc1C.c17ccccc1Cl.C46=O.N45 |
19343 | Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccnc1 | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1onc7c15.c17ccccc1Cl.c16cccnc1.C35=O.N34.C46 |
19344 | COC(=O)c1oc2ccc(Cl)cc2c1NC(C)=O | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][Branch1][C][C][=O] | c16oc2ccc(Cl)cc2c15.C36=O.C4(C)=O.CO3.N45 |
19345 | Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nccs1 | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | Cc1onc6c15.c16ccccc1Cl.c14nccs1.C35=O.N34 |
19346 | CNC(=O)c1c(-c2ccccc2Cl)noc1C | [C][N][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][O][C][=Ring1][N][C] | c14c5noc1C.c15ccccc1Cl.C34=O.CN3 |
19347 | Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC1C | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C] | Cc1onc5c14.c15ccccc1Cl.N13CCCCC1C.C34=O |
19348 | NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 | [N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][P] | c14nc5c6[nH]1.c15ccccc1.c16ccccc1.NC(=O)C3.S34 |
19349 | Cc1cccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][O][C][=Ring1][N][C][=N][Ring2][Ring1][=Branch1] | Cc1cccc5n1.c16c7noc1C.c17ccccc1Cl.C46=O.N45 |
19350 | CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C | [C][N][C][=Branch1][C][=O][C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C] | c15c(Cl)cccc1Cl.c14c5noc1C.C34=O.CN3 |
19351 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCC1 | [C][C][O][N][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | c15c(Cl)cccc1Cl.Cc1onc5c14.N13CCCC1.C34=O |
19352 | COc1ccccc1OCCn1cc(C#N)c2ccccc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | n16cc(C#N)c2ccccc21.c14ccccc15.C3C6.CO4.O35 |
19354 | CC1CN(S(=O)(=O)c2ccccc2)CC(C)O1 | [C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][O][Ring1][S] | S3(=O)(=O)c1ccccc1.CC1CN3CC(C)O1 |
19356 | CCOC(=O)Cn1cnc2sc(C)c(C)c2c1=O | [C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][O][=O] | n15cnc2sc(C)c(C)c2c1=O.C3(=O)C5.CC4.O34 |
19357 | Cc1c(C#N)c2ccccc2n1CC(=O)NC1CCCCC1 | [C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | Cc1c(C#N)c2ccccc2n15.C14CCCCC1.C5C3=O.N34 |
19358 | COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c13ccc(S4(=O)=O)cc1.c15ccc(F)c(F)c1.CO3.N45 |
19359 | COc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][P] | c13ccc(S4(=O)=O)cc1.N14CC(C)OC(C)C1.CO3 |
19361 | Cc1cc(C)c(S(=O)(=O)Nc2ncccc2C)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1cc(C)c(S3(=O)=O)c(C)c1.c14ncccc1C.N34 |
19362 | Cc1cccc(NS(=O)(=O)c2ccc(F)cc2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][P] | S3(=O)(=O)c1ccc(F)cc1.Cc1cccc4n1.N34 |
19363 | CS(=O)(=O)Nc1cccc(Br)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c13cccc(Br)c1.CS2(=O)=O.N23 |
19365 | CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 | [C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | S5(=O)(=O)c1ccc6cc1.c17ccccc1.N345.C2(C)=O.CC3.C47.N26 |
19366 | CCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(C)=O)cc1 | [C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | S4(=O)(=O)c1ccc5cc1.C16CCCCC1.N346.C2(C)=O.CC3.N25 |
19371 | CCOC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][#C] | C16CCN4CC1.c17cccc(Cl)c1.C36=O.C47=O.CC5.O35 |
19372 | CN(C(=O)c1cccc(Cl)c1)C1CCCCC1 | [C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c14cccc(Cl)c1.C13CCCCC1.CN23.C24=O |
19373 | COC(=O)c1cc(NC(=O)c2ccc(F)cc2)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring2] | c17cc6cc9c1.c18ccc(F)cc1.C37=O.C58=O.C49=O.CO3.N56.O4C |
19375 | C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1cccnc1 | [C][=C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] | n15c6nnc17.c14ccccc1.c17cccnc1.C3C4=O.C=CC5.S36 |
19376 | Oc1cnc(-c2ccc(Br)cc2)nc1 | [O][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=C][Ring1][=N] | Oc1cnc3nc1.c13ccc(Br)cc1 |
19377 | CCCN(CCC)S(=O)(=O)c1ccc(OC)cc1 | [C][C][C][N][Branch1][Ring2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | S5(=O)(=O)c1ccc2cc1.CCC3.N345.C4CC.O2C |
19378 | CCCN(CCC)S(=O)(=O)c1ccc(F)cc1 | [C][C][C][N][Branch1][Ring2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(F)cc1.CCC2.N234.C3CC |
19379 | Cc1ccnc(NS(=O)(=O)c2ccc(F)cc2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][P] | S3(=O)(=O)c1ccc(F)cc1.Cc1ccnc4c1.N34 |
19380 | CCC1CCCCN1C(=O)c1ccccc1Br | [C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | C14CCCCN12.c13ccccc1Br.C23=O.CC4 |
19382 | O=C(Nc1ccc(F)c(Cl)c1)c1cccs1 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][S][Ring1][Branch1] | c13ccc(F)c(Cl)c1.c14cccs1.O=C24.N23 |
19383 | CC1CC(C)CN(C(=O)c2ccccc2Cl)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][S] | CC1CC(C)CN3C1.c14ccccc1Cl.C34=O |
19386 | Cc1ccc(S(=O)(=O)N(CCO)C2CCCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S4(=O)=O)cc1.C15CCCCC1.N345.C3CO |
19387 | CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | S6(=O)(=O)c1ccc5cc1.c18ccc7cc1.C38=O.CC4.O34.N67.O5C |
19388 | O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCC1 | [O][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][C][C][C][C][Ring1][Branch1] | c15ccc(S4(=O)=O)cc1.N14CCCCC1.N13CCCC1.O=C35 |
19389 | COC(=O)C(NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(C)C | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C] | c16ccc(S5(=O)=O)cc1.C2(=O)C4C(C)C.C36=O.N5(C)C.CO2.N34 |
19390 | CC(C)(C)NC(=O)CSc1nnnn1-c1ccc(C(N)=O)cc1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | c16ccc5cc1.c17nnnn16.CC3(C)C.C2(=O)C4.C5(N)=O.N23.S47 |
19391 | COc1ccc2c(c1)OC(O)(C(F)(F)C(F)(F)F)CC2=O | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][O][Branch1][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#C][=O] | c13ccc2c(c1)OC4(O)CC2=O.C4(F)(F)C(F)(F)F.CO3 |
19392 | Cc1nccn1-c1ncnc2scc(-c3ccccc3)c12 | [C][C][=N][C][=C][N][Ring1][Branch1][C][=N][C][=N][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=Ring1][O] | c14ncnc2scc5c12.Cc1nccn14.c15ccccc1 |
19393 | CCNC(=O)Nc1ccc(Br)cc1C(=O)OC | [C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C] | c16ccc(Br)cc17.C34=O.C27=O.CC5.N35.N46.O2C |
19394 | CN(C)S(=O)(=O)Nc1ccc2c(c1)Cc1ccccc1-2 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | c13ccc2c(c1)Cc1ccccc1-2.CN(C)S(=O)(=O)N3 |
19395 | CC1CC(C)CN(C(=O)c2ccc(Br)cc2)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][S] | CC1CC(C)CN3C1.c14ccc(Br)cc1.C34=O |
19396 | O=C(c1ccc(Br)cc1)N1CCc2ccccc2C1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14ccc(Br)cc1.O=C34 |
19397 | O=C(COc1cc(Cl)c(Cl)cc1Cl)NCc1cccnc1 | [O][=C][Branch2][Ring1][C][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14cc(Cl)c(Cl)cc1Cl.c16cccnc1.O=C2C3.O34.N25.C56 |
19398 | COC(=O)C1=C(C)NC(=O)NC1C=Cc1ccccc1OC | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | C2(=O)C1=C(C)NC(=O)NC1C=4.C=4c1ccccc13.CO2.O3C |
19399 | Cc1cc(C)c(OCC(=O)Nc2cccnc2)c(Br)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][Br][=C][Ring2][Ring1][Ring1] | Cc1cc(C)c5c(Br)c1.c16cccnc1.C4C3=O.O45.N36 |
19400 | COC(=O)C(C)n1cnc2sc(-c3ccccc3)cc2c1=O | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring1][O][C][Ring1][#C][=O] | n15cnc2sc6cc2c1=O.c16ccccc1.C4(=O)C5C.CO4 |
19401 | CC(C)(C)C(O)CSc1nc2ccccc2[nH]1 | [C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c14nc2ccccc2[nH]1.CC(C)(C)C(O)C3.S34 |
19402 | COc1ccc2c(c1)nc(SCC(C)O)n2C | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][Branch2][S][C][C][Branch1][C][C][O][N][Ring1][O][C] | c13ccc2c(c1)nc5n2C.C4C(C)O.CO3.S45 |
19403 | COC(=O)c1ccc(C2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2] | C17NC(=O)NC(C)=C1C4=O.c16ccc7cc1.C36=O.C5(C)C.CO3.O45 |
19404 | COc1ccc(C(O)c2nc3ccccc3n2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][C][O][C] | c16nc2ccccc2n1C.c14ccc7cc15.C67O.CO4.O5C |
19407 | COC(=O)C1=C(C)NC(=O)NC1c1c(Cl)cccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | C2(=O)C1=C(C)NC(=O)NC13.c13c(Cl)cccc1Cl.CO2 |
19408 | Cc1cccc(C(=O)Nc2ccc(Br)cn2)c1 | [C][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][Ring1][S] | Cc1cccc5c1.c14ccc(Br)cn1.C35=O.N34 |
19410 | Nc1cc(N)nc(SCC(=O)NC2CCCCC2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | Nc1cc(N)nc6n1.C15CCCCC1.C4C3=O.S46.N35 |
19411 | COC(=O)C1=C(C)N(C)C(=O)NC1c1cccc(OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | C2(=O)C1=C(C)N(C)C(=O)NC14.c14cccc3c1.CO2.O3C |
19412 | COc1cc(C2CC(=O)Nc3c2ccc2ccccc32)ccc1O | [C][O][C][=C][C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Branch1][O] | c14cc(C2CC(=O)Nc3c2ccc2ccccc32)ccc1O.CO4 |
19413 | Cc1cc2nc(Nc3ncc(O)[nH]3)nc(C)c2cc1C | [C][C][=C][C][=N][C][Branch1][N][N][C][=N][C][=C][Branch1][C][O][NH1][Ring1][=Branch1][=N][C][Branch1][C][C][=C][Ring1][=C][C][=C][Ring2][Ring1][C][C] | Cc1cc2nc4nc(C)c2cc1C.c15ncc(O)[nH]1.N45 |
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