ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
29498 | CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 | [C][N][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15ccc(C)cc1.C2(=O)C3.N345.CN2 |
29499 | Cc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | S5(=O)(=O)c1ccccc1.Cc1ccc6cc1.C4C3=O.N456.N3(C)C |
29500 | NC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.c14ccccc13.NC4=O.C25=O.N23 |
29501 | CCc1c(C)sc(NC(=O)c2cccnc2)c1C#N | [C][C][C][=C][Branch1][C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][#C][C][#N] | c16c(C)sc4c1C#N.c15cccnc1.C35=O.CC6.N34 |
29502 | Cc1csc(NC(=O)c2cccc(F)c2F)n1 | [C][C][=C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=N][Ring1][S] | c15cccc(F)c1F.Cc1csc4n1.C35=O.N34 |
29503 | O=S(=O)(Cc1ccccc1)Nc1cccc(F)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][F][=C][Ring1][#Branch1] | c13cccc(F)c1.c14ccccc1.O=S2(=O)C4.N23 |
29504 | CCOC(=O)Cc1nn(Cc2ccccc2)c(=O)c2ccccc12 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | c16nn5c(=O)c2ccccc12.c17ccccc1.C3(=O)C6.CC4.O34.C57 |
29506 | CCCn1nc(CC(=O)OCC)c2ccccc2c1=O | [C][C][C][N][N][=C][Branch1][=Branch2][C][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] | n15nc6c2ccccc2c1=O.C6C3=O.CCC5.O34.C4C |
29507 | COC(=O)CCC(=O)Nc1cccc(Cl)c1Cl | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] | c14cccc(Cl)c1Cl.C2(=O)CCC3=O.CO2.N34 |
29508 | Cc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | Cc1ccccc15.c18ccc6cc1.c17ccco1.C38=O.C47=O.N35.N46 |
29509 | O=C(Cc1ccc(F)cc1)Nc1ccc(F)cc1F | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c13ccc(F)cc1F.c14ccc(F)cc1.O=C2C4.N23 |
29512 | O=C(Cc1ccc(F)cc1)NCCc1ccccc1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc(F)cc1.c15ccccc1.O=C2C4.C3C5.N23 |
29513 | c1cncc(-c2nc(N3CCOCC3)c3ccccc3n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][=Branch2][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][S][=C][Ring2][Ring1][=Branch1] | c15nc4c2ccccc2n1.c1cncc5c1.N14CCOCC1 |
29515 | CC(=O)N(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 | [C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(Cl)cc1.c14cccc(C)c1.CC2=O.N234 |
29516 | CC(=O)N(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 | [C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(Cl)cc1.c14ccccc1C.CC2=O.N234 |
29517 | COC(=O)c1ccc(N2Cc3ccccc3C2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][Ring1][#C] | N15Cc2ccccc2C1.c16ccc5cc1.C46=O.CO4 |
29518 | COc1ccccc1N(C(C)=O)S(=O)(=O)c1ccc(Cl)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(Cl)cc1.c13ccccc15.N245.C2(C)=O.CO3 |
29520 | COc1ccc(CC(=O)Nc2ccc(Cl)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][P][O][C] | c14ccc7cc15.c16ccc(Cl)cc1.C7C3=O.CO4.N36.O5C |
29521 | CC(=O)Nc1c(C)cc(C(O)(C(F)(F)F)C(F)(F)F)cc1C | [C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][P][C] | C4(O)(C(F)(F)F)C(F)(F)F.c13c(C)cc4cc1C.CC2=O.N23 |
29522 | c1ccc2sc(SCc3cn4cccnc4n3)nc2c1 | [C][=C][C][=C][S][C][Branch1][S][S][C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][=N][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c1ccc2sc7nc2c1.c16cn2cccnc2n1.S57.C56 |
29523 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1C | [C][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][Ring1][=Branch1][C] | C2(=O)C1=C(C)NC(=O)NC14.c14ccccc1C.CC3.O23 |
29524 | CC(Oc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | c15ccc6cc1.c14ccccc1.CC3C2=O.C6(N)=O.O34.N25 |
29525 | CC(C)CC(=O)Nc1nnc(CCc2ccccc2)s1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N] | CC(C)CC3=O.c14nnc5s1.c16ccccc1.C5C6.N34 |
29526 | COc1ccc(C(N)=O)cc1NC(=O)c1cccs1 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c13ccc6cc14.c15cccs1.C6(N)=O.C25=O.CO3.N24 |
29527 | BrC12CC3CC(C1)CC(n1cncn1)(C3)C2 | [Br][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][Branch1][Ring2][C][Ring1][N][C][Ring1][#C] | BrC12CC3CC(CC4(C3)C1)C2.n14cncn1 |
29528 | O=C(Cc1ccccc1)OCC(=O)c1ccccc1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.c14ccccc1.O=C2C5.C3C4=O.O23 |
29529 | CCC(=O)Nc1nnc(COc2ccccc2)s1 | [C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N] | c16nnc7s1.c15ccccc1.CCC3=O.N36.C47.O45 |
29530 | COC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(C)cc1.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
29531 | COc1ccc(NC(=O)Nc2ccccc2F)cc1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][P] | c15ccc6cc1.c17ccccc1F.C34=O.CO5.N36.N47 |
29532 | COC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 | [C][O][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15ccc(Cl)cc1.C2(=O)C3.N345.CO2 |
29533 | COc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c15ccc8cc16.c17nnc9s1.c19ccccc1.C48=O.CO5.N47.O6C |
29534 | CC(Oc1ccccc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16ccc2[nH]c(=O)[nH]c2c1.c15ccccc1.CC4C3=O.O45.N36 |
29536 | N#Cc1c(N)nc(C(Cl)(Cl)Cl)nc1-c1ccccc1 | [N][#C][C][=C][Branch1][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | N#Cc1c3nc2nc1N.c13ccccc1.C2(Cl)(Cl)Cl |
29537 | COc1ccc(OC)c(Nc2nc(C)c(C(C)=O)s2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][S][Ring1][=Branch2][=C][Ring2][Ring1][C] | c13ccc4c6c1.c15nc(C)c7s1.C7(C)=O.CO3.O4C.N56 |
29538 | COc1cc(OC)cc(C(=O)N2CCCCCC2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring1][P] | c14cc5cc6c1.N13CCCCCC1.C36=O.CO4.O5C |
29539 | CCN(Cc1ccccc1)C(=O)c1ccc(OC)c(OC)c1 | [C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c17ccc3c4c1.c18ccccc1.N256.C27=O.CC5.C68.O3C.O4C |
29540 | Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C | [C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S][C] | Cc1ccc(S4(=O)=O)cc1C.c15ccco1.N34.C35 |
29541 | COC(=O)c1ccc(NC(=O)c2ccc3nccnc3c2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c18ccc2nccnc2c1.c17ccc6cc1.C47=O.C58=O.CO4.N56 |
29545 | CCOC(=O)c1ccc(NCc2nc3ccccc3n2C)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][C] | c19nc2ccccc2n1C.c18ccc7cc1.C48=O.CC5.O45.N67.C69 |
29546 | Cc1cc(C)c2c(c1)C(O)(N1CCOCC1)C(=O)N2 | [C][C][=C][C][Branch1][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=C] | Cc1cc(C)c2c(c1)C(O)(N1CCOCC1)C(=O)N2 |
29547 | COc1cccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Ring1][N][=C][Ring2][Ring1][Branch1] | c15cccc7c1.c16cccc8c1.c18csc(C)n1.C47=O.CO5.N46 |
29548 | COc1cc2c(cc1OC)C(c1ccc(C)cc1)NC(=O)C2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Ring2][Ring1][C] | c13cc2c(cc14)C(c1ccc(C)cc1)NC(=O)C2.CO3.O4C |
29549 | CCn1c(C(O)c2cccc(OC)c2OC)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][Ring1][C][Branch1][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n15c6nc2ccccc21.c17cccc3c14.C67O.CC5.O3C.O4C |
29550 | CCOc1cccc2sc(NC(=O)CC)nc12 | [C][C][O][C][=C][C][=C][C][S][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][=N][C][Ring1][=C][=Ring1][#Branch2] | c15cccc2sc6nc12.C3(=O)CC.CC4.O45.N36 |
29551 | O=C1Nc2c(c3ccccc3oc2=O)Nc2ccccc21 | [O][=C][N][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | O=C1Nc2c(c3ccccc3oc2=O)Nc2ccccc21 |
29552 | CCn1c(C(O)c2ccc3c(c2)OCO3)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][Ring2][C][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | n14c5nc2ccccc21.c16ccc2c(c1)OCO2.C56O.CC4 |
29553 | CCn1c(C(O)c2ccc(OC)c(OC)c2)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n15c6nc2ccccc21.c17ccc3c4c1.C67O.CC5.O3C.O4C |
29554 | CCOc1ccc(C(O)c2nccn2Cc2ccccc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c14ccc7cc1.c16nccn15.c18ccccc1.C67O.CC3.O34.C58 |
29555 | OC(c1ccccc1)c1nccn1Cc1ccccc1 | [O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1.c13nccn12.c15ccccc1.OC34.C25 |
29556 | COc1ccccc1C(O)c1nc2ccccc2n1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | c14nc2ccccc2n1C.c13ccccc15.C45O.CO3 |
29557 | O=C(Cc1ccc(Cl)cc1)NCc1ccncc1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14ccc(Cl)cc1.c15ccncc1.O=C2C4.N23.C35 |
29558 | CC(=O)c1c(NC(=O)Cc2ccccc2)nc(C)nc1-c1ccccc1 | [C][C][=Branch1][C][=O][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][C][N][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15c4nc(C)nc17.c16ccccc1.c17ccccc1.C3(=O)C6.CC5=O.N34 |
29560 | CCOC(=O)N1CCN(C(=O)COc2cccc3ccccc23)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] | c19cccc2ccccc12.N15CCN6CC1.C6(=O)C8.C45=O.CC7.O47.O89 |
29561 | O=C(COc1cccc2ccccc12)NCC1CCCO1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][C][O][Ring1][Branch1] | c15cccc2ccccc12.C17CCCO1.O=C3C4.O45.N36.C67 |
29562 | O=C(Cc1ccc(Cl)cc1)NCc1ccccn1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccc(Cl)cc1.c14ccccn1.O=C2C5.N23.C34 |
29564 | CCC(CC)NC(=O)c1cc(OC)cc(OC)c1 | [C][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c16cc3cc4c1.CCC5CC.C26=O.N25.O3C.O4C |
29565 | O=C(CCC1CCCC1)NCc1ccc2c(c1)OCO2 | [O][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.O=C3CC5.C15CCCC1.N34.C46 |
29566 | COc1ccc(C(=O)NCCc2ccc(F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c14ccc6cc1.c17ccc(F)cc1.C36=O.C5C7.CO4.N35 |
29567 | COc1cccc(OC)c1C(=O)Nc1cccc(SC)c1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][S][C][=C][Ring1][Branch2] | c13cccc4c16.c15cccc7c1.C26=O.CO3.O4C.N25.S7C |
29568 | COc1ccc(CNC(=O)COc2ccc(C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc8cc1.c16ccc(C)cc1.C3(=O)C4.CO5.C78.N37.O46 |
29569 | CCn1c(C)nc2c(Br)c(O)ccc21 | [C][C][N][C][Branch1][C][C][=N][C][=C][Branch1][C][Br][C][Branch1][C][O][=C][C][=C][Ring1][Branch2][Ring1][N] | n13c(C)nc2c(Br)c(O)ccc21.CC3 |
29570 | COCC(C)NC(=O)c1ccc(OC)c(OC)c1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c17ccc4c5c1.C3C6C.C27=O.CO3.N26.O4C.O5C |
29571 | COCC(C)NC(=O)c1cc(OC)cc(OC)c1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c17cc4cc5c1.C3C6C.C27=O.CO3.N26.O4C.O5C |
29572 | CCn1c(C)nc2c(Br)c(O)c(Br)cc21 | [C][C][N][C][Branch1][C][C][=N][C][=C][Branch1][C][Br][C][Branch1][C][O][=C][Branch1][C][Br][C][=C][Ring1][=Branch2][Ring1][=N] | n13c(C)nc2c(Br)c(O)c(Br)cc21.CC3 |
29573 | Cc1ccc(-n2cnc3sc(C)c(C)c3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][C] | n14cnc2sc(C)c(C)c2c1=O.Cc1ccc4cc1 |
29574 | CCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(C)=O | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][N][C][Branch1][C][C][=O] | c17c6nc8nc1C.c18ccccc1.C37=O.C4(C)=O.CC5.O35.N46 |
29575 | CC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)Cc1ccccc1 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15c4nc7nc1C.c17ccccc1.c16ccccc1.C3(=O)C6.CC5=O.N34 |
29576 | CCc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c16ccc5cc1.c18nnnn17.c17ccccc1.C3(=O)C4.CC6.N35.S48 |
29577 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)c(OC)c1OC | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C] | C2(=O)C1=C(C)NC(=O)NC16.c16ccc3c4c15.CO2.O3C.O4C.O5C |
29578 | CCOC(=O)c1c(C)nc(C(Cl)(Cl)Cl)nc1N | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][N][=C][Ring1][O][N] | c14c(C)nc5nc1N.C5(Cl)(Cl)Cl.C24=O.CC3.O23 |
29579 | CC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)C(C)C | [C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c15c4nc6nc1C.c16ccccc1.C3(=O)C(C)C.CC5=O.N34 |
29581 | CCSc1nnc(NC(=O)C(CC)CC)s1 | [C][C][S][C][=N][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][C][S][Ring1][=N] | C2(=O)C(CC)CC.c15nnc4s1.CC3.S35.N24 |
29582 | CC1=C(C(=O)Nc2ccccc2)C(c2cc(C)cs2)NC(=O)N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][C][=C][C][Branch1][C][C][=C][S][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C5NC(=O)N1.c14ccccc1.c15cc(C)cs1.N34 |
29583 | Cc1ccc(C(=O)NCc2ccc(Cl)c(Cl)c2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][O][Ring1][P] | c16ccc(Cl)c(Cl)c1.Cc1ccc5o1.C35=O.N34.C46 |
29584 | COc1cccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c15cc(=O)n(C)c(=O)n1C.c14cccc6c1.C36=O.CO4.N35 |
29585 | CC1=C(C(=O)N2CCCCC2)C(c2cccs2)NC(=O)N1 | [C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2] | CC1=C(C3=O)C4NC(=O)N1.N13CCCCC1.c14cccs1 |
29586 | CCc1c(C)sc(NC(=O)CCc2ccccc2)c1C(N)=O | [C][C][C][=C][Branch1][C][C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][C][Branch1][C][N][=O] | c16c(C)sc4c15.c17ccccc1.C3(=O)CC7.C5(N)=O.CC6.N34 |
29587 | O=C(Nc1ncccc1Cl)c1ccccc1F | [O][=C][Branch1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c13ncccc1Cl.c14ccccc1F.O=C24.N23 |
29588 | CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(N)=O)cc1 | [C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | c14cccc(Cl)c1.c15ccc6cc1.CC3C2=O.C6(N)=O.O34.N25 |
29589 | COc1ccc(Cl)cc1C(=O)N(C(C)C)C(C)C | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C] | c13ccc(Cl)cc16.C26=O.N245.C4(C)C.C5(C)C.CO3 |
29590 | CCC(Oc1ccccc1)C(=O)Nc1ncccn1 | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1] | CCC3C2=O.c14ccccc1.c15ncccn1.O34.N25 |
29591 | NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S3(=O)(=O)c1ccc(Cl)cc1.C14CCN3CC1.NC4=O |
29592 | O=C(c1cccc(F)c1)N1CCN(c2ccc(Cl)cc2)CC1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | c15cccc(F)c1.N13CCN4CC1.c14ccc(Cl)cc1.O=C35 |
29593 | COc1ccc(Cl)cc1NC(=O)c1ccncc1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] | c13ccc(Cl)cc14.c15ccncc1.C25=O.CO3.N24 |
29594 | O=C(CCc1ccccc1)Nc1ccc2c(c1)OCCO2 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.c15ccccc1.O=C3CC5.N34 |
29595 | Cc1occc1C(=O)NCCc1cccc(Cl)c1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c15cccc(Cl)c1.Cc1occc14.C24=O.C3C5.N23 |
29597 | Cc1ccc(C(=O)Nc2ncccc2Cl)cc1C | [C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][S][C] | Cc1ccc5cc1C.c14ncccc1Cl.C35=O.N34 |
29598 | COC(=O)c1sc(NC(=O)CC(C)C)c(C(=O)OC)c1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=Ring1][S][C] | c16sc5c7c1C.C4(=O)CC(C)C.C26=O.C37=O.CO2.N45.O3C |
29599 | COC(=O)Nc1sc2c(c1C(N)=O)CCC(C(C)(C)C)C2 | [C][O][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C] | c15sc2c(c16)CCC7C2.C7(C)(C)C.C34=O.C6(N)=O.CO3.N45 |
29600 | CCOC(=O)Nc1sc(C)c(CC)c1C(=O)OC | [C][C][O][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][Ring1][C][C][C][=Ring1][Branch2][C][=Branch1][C][=O][O][C] | c16sc(C)c8c17.C24=O.C37=O.CC5.O25.N46.C8C.O3C |
29602 | CC(=O)Oc1ccccc1C(=O)Nc1c(C)cc(C)cc1C | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C] | c15c(C)cc(C)cc1C.c14ccccc16.CC2=O.C36=O.O24.N35 |
29603 | CC1=C(C(=O)N2CCOCC2)C(c2cccs2)NC(=O)N1 | [C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2] | CC1=C(C3=O)C4NC(=O)N1.N13CCOCC1.c14cccs1 |
29604 | COC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCCCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][C][C][Ring1][#Branch1] | c17c5sc2c1CCCCC2.c16cnccn1.C37=O.C46=O.CO3.N45 |
29607 | O=C(Cc1ccc(Cl)cc1)Nc1ccccc1CO | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O] | c14ccc(Cl)cc1.c13ccccc15.O=C2C4.N23.C5O |
29608 | CC(C)(C)c1ccc(OCC(=O)NCc2ccncc2)cc1 | [C][C][Branch1][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.CC7(C)C.C4C3=O.O45.N36.C68 |
29609 | Clc1ccc(Cc2nc(-c3ccncc3)no2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][C] | Clc1ccc5cc1.c14nc6no1.c16ccncc1.C45 |
29610 | Cc1cccnc1NC(=O)COc1ccc(Br)cc1 | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | Cc1cccnc15.c14ccc(Br)cc1.C2(=O)C3.N25.O34 |
29611 | CCC(=O)Nc1nc(-c2ccccc2)nc(SC)c1C(C)=O | [C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][Ring1][S][C][=C][Ring1][=C][C][Branch1][C][C][=O] | c14nc7nc6c15.c17ccccc1.CCC3=O.C5(C)=O.N34.S6C |
29612 | CC(=O)Nc1ccccc1NC(=O)Cc1ccc(Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccccc15.c16ccc(Cl)cc1.C3(=O)C6.CC2=O.N24.N35 |
29614 | CC(=O)c1c(C)nc(C)nc1NC(=O)Cc1ccccc1 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][N][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14c3nc(C)nc1C.c15ccccc1.C2(=O)C5.CC4=O.N23 |
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