ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
23992 | CC(=O)OCc1cc2c(cc1COC(C)=O)OCO2 | [C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][N][C][=C][Ring1][=Branch1][C][O][C][Branch1][C][C][=O][O][C][O][Ring1][N] | c17cc2c(cc18)OCO2.CC3=O.C4(C)=O.O35.C57.C68.O46 |
23993 | CCOC(=O)c1cc(C)c(C(=O)OCC)nc1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][N][=C][Ring1][N][C] | c17cc(C)c6nc1C.C27=O.C36=O.CC4.O24.O35.C5C |
23994 | O=C1C2C=COC2C2c3ccccc3CCC2N1Cc1ccccc1 | [O][=C][C][C][=C][O][C][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch2][N][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1C2C=COC2C2c3ccccc3CCC2N14.c15ccccc1.C45 |
23995 | CN(C(=O)c1ccoc1)c1ccc2ccccc2c1 | [C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c14ccc2ccccc2c1.c15ccoc1.CN34.C35=O |
23996 | O=C(NCc1ccccc1)c1coc(-c2ccccc2)n1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] | c16ccccc1.c15coc7n1.c17ccccc1.O=C35.N34.C46 |
23997 | Cc1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][N][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | N13CCN(S(=O)(=O)N(C)C)CC1.Cc1ccc3c(C)c1 |
23998 | CN(C)S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=N] | CN(C)S(=O)(=O)N1CCN3CC1.c13ccccc1Cl |
23999 | CN(C)S(=O)(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C] | CN(C)S(=O)(=O)N1CCN3CC1.c13cc(Cl)ccc1Cl |
24000 | Cc1cccc(C)c1N1CCN(S(=O)(=O)N(C)C)CC1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][N] | N12CCN(S(=O)(=O)N(C)C)CC1.Cc1cccc(C)c12 |
24002 | CN(C)S(=O)(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][#C] | CN(C)S(=O)(=O)N1CCN3CC1.c14ccccc1Cl.C34=O |
24003 | O=C(c1ccco1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][#C] | N13CCN(S(=O)(=O)N2CCOCC2)CC1.c14ccco1.O=C34 |
24004 | C=CCC(O)(c1ccccc1)C(O)c1ccccc1 | [C][=C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C=CCC2(O)C3O.c12ccccc1.c13ccccc1 |
24005 | Cc1cc(C)n2c(-c3ccc(Cl)cc3)nnc2n1 | [C][C][C][=C][Branch1][C][C][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][N][N][=Ring1][P] | Cc1cc(C)n2c4nnc2n1.c14ccc(Cl)cc1 |
24006 | COC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1 | [C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cnn8c15.c18ccccc1.c17ccccc1.C36=O.C47=O.CO3.N45 |
24008 | Cc1cc(S(=O)(=O)NCc2cccnc2)ccc1F | [C][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][F] | Cc1cc(S4(=O)=O)ccc1F.c15cccnc1.N34.C35 |
24009 | CC(C)(C)c1ccc(S(=O)(=O)NCc2ccccn2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c16ccc(S4(=O)=O)cc1.c15ccccn1.CC6(C)C.N34.C35 |
24010 | CCN(CC)S(=O)(=O)c1cc(OC)c(Cl)cc1Cl | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][Cl][C][=C][Ring1][=Branch2][Cl] | S5(=O)(=O)c1cc2c(Cl)cc1Cl.N345.CC3.C4C.O2C |
24011 | COc1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl | [C][O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][Cl][C][=C][Ring1][S][Cl] | c13cc(S4(=O)=O)c(Cl)cc1Cl.N14CCOCC1.CO3 |
24012 | COc1c(Cl)ccc(S(=O)(=O)N2CCOCC2)c1Cl | [C][O][C][=C][Branch1][C][Cl][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S][Cl] | c13c(Cl)ccc(S4(=O)=O)c1Cl.N14CCOCC1.CO3 |
24013 | O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCCCC1 | [O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring1][N][=O][N][C][C][C][C][C][Ring1][=Branch1] | c14cc2cc(Cl)cc(Cl)c2oc1=O.N13CCCCC1.O=C34 |
24014 | COc1ccc(C(=O)C(C)OC(=O)c2ccc3ccccc3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1] | c17ccc2ccccc2n1.c16ccc8cc1.C8(=O)C5C.C47=O.CO6.O45 |
24015 | CCN(CC)C(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring1][N][=O] | c16cc2cc(Cl)cc(Cl)c2oc1=O.N345.C36=O.CC4.C5C |
24017 | COc1cc(S(=O)(=O)n2c(C)nc3ccccc32)c(C)cc1C | [C][O][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2][C] | c14cc(S(=O)(=O)n2c(C)nc3ccccc32)c(C)cc1C.CO4 |
24019 | COc1cc(C)c(Cl)c(C)c1S(=O)(=O)N1CCOCC1 | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c12cc(C)c(Cl)c(C)c1S3(=O)=O.N13CCOCC1.CO2 |
24020 | COc1cc(S(=O)(=O)n2ccc(C)n2)c(OC)cc1Cl | [C][O][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring1][P][Cl] | c13cc(S(=O)(=O)n2ccc(C)n2)c4cc1Cl.CO3.O4C |
24021 | COc1cc(C)c(S(=O)(=O)n2ccc(C)n2)cc1C | [C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=N][Ring1][=Branch1][C][=C][Ring1][S][C] | c13cc(C)c(S(=O)(=O)n2ccc(C)n2)cc1C.CO3 |
24022 | COc1cc(Cl)c(S(=O)(=O)n2ccc(C)n2)cc1Cl | [C][O][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=N][Ring1][=Branch1][C][=C][Ring1][S][Cl] | c13cc(Cl)c(S(=O)(=O)n2ccc(C)n2)cc1Cl.CO3 |
24023 | CCOc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl | [C][C][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][Cl] | c14cc(S5(=O)=O)ccc1Cl.N15CCCCC1.CC3.O34 |
24024 | CCOc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl | [C][C][O][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] | c14cc(S5(=O)=O)ccc1Cl.N15CCOCC1.CC3.O34 |
24025 | CCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC(C)C1 | [C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | c13ccc(Cl)cc1S4(=O)=O.N14CCCC(C)C1.CC2.O23 |
24026 | CCOc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 | [C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c13ccc(Cl)cc1S4(=O)=O.N14CCOCC1.CC2.O23 |
24027 | CCOc1ccc(Cl)cc1S(=O)(=O)N1CC(C)OC(C)C1 | [C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2] | c13ccc(Cl)cc1S4(=O)=O.N14CC(C)OC(C)C1.CC2.O23 |
24028 | CCN(CC)S(=O)(=O)c1ccc(F)c(OC)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] | S5(=O)(=O)c1ccc(F)c2c1.N345.CC3.C4C.O2C |
24029 | COc1ccc(F)cc1S(=O)(=O)N1CCCCC1 | [C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c12ccc(F)cc1S3(=O)=O.N13CCCCC1.CO2 |
24030 | COc1ccc(F)cc1S(=O)(=O)N1CCCC(C)C1 | [C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | c12ccc(F)cc1S3(=O)=O.N13CCCC(C)C1.CO2 |
24031 | COc1ccc(F)cc1S(=O)(=O)N1CCOCC1 | [C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c12ccc(F)cc1S3(=O)=O.N13CCOCC1.CO2 |
24032 | COc1ccc(F)cc1S(=O)(=O)NCc1ccccc1 | [C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12ccc(F)cc1S4(=O)=O.c15ccccc1.CO2.N34.C35 |
24033 | CCOc1c(S(=O)(=O)N2CCOCC2)ccc(Cl)c1Cl | [C][C][O][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][Ring1][S][Cl] | c14c(S5(=O)=O)ccc(Cl)c1Cl.N15CCOCC1.CC3.O34 |
24034 | COc1ccc(F)cc1S(=O)(=O)N(C)C1CCCCC1 | [C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1] | c12ccc(F)cc1S3(=O)=O.C14CCCCC1.N34C.CO2 |
24035 | COc1ccc(F)cc1S(=O)(=O)NC(C)c1ccccc1 | [C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12ccc(F)cc1S4(=O)=O.c15ccccc1.C35C.CO2.N34 |
24036 | CCN(CC)S(=O)(=O)c1c(OC)cc(C)c(Cl)c1C | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][#Branch2][C] | S5(=O)(=O)c1c2cc(C)c(Cl)c1C.N345.CC3.C4C.O2C |
24037 | COc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)cc1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c12ccc(C)cc1S3(=O)=O.c14ccc(F)cc1.CO2.N34 |
24038 | COc1cc(S(=O)(=O)Nc2ccccn2)c(Cl)cc1Cl | [C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][Cl][C][=C][Ring1][P][Cl] | c13cc(S4(=O)=O)c(Cl)cc1Cl.c15ccccn1.CO3.N45 |
24039 | COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccnc1 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c12ccc5cc1S3(=O)=O.c14cccnc1.C5(C)C.CO2.N34 |
24040 | COc1cc(S(=O)(=O)Nc2cccnc2)c(OC)cc1Cl | [C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][C][Cl] | c13cc(S5(=O)=O)c4cc1Cl.c16cccnc1.CO3.N56.O4C |
24041 | COc1cc(S(=O)(=O)Nc2cccnc2)c(Cl)cc1Cl | [C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Branch1][C][Cl][C][=C][Ring1][P][Cl] | c13cc(S4(=O)=O)c(Cl)cc1Cl.c15cccnc1.CO3.N45 |
24042 | COc1ccc(S(=O)(=O)Nc2ccncc2)c(C)c1C | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][P][C] | c13ccc(S4(=O)=O)c(C)c1C.c15ccncc1.CO3.N45 |
24043 | CCN(CC)S(=O)(=O)c1cc(C(C)C)ccc1OC | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][=C][Ring1][=Branch2][O][C] | S5(=O)(=O)c1cc6ccc12.N345.C6(C)C.CC3.C4C.O2C |
24044 | CCOc1ccc(Cl)cc1S(=O)(=O)NCc1cccnc1 | [C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13ccc(Cl)cc1S5(=O)=O.c16cccnc1.CC2.O23.N45.C46 |
24045 | COc1ccc(F)cc1S(=O)(=O)N1CCC(C(N)=O)CC1 | [C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2] | c12ccc(F)cc1S3(=O)=O.N13CCC4CC1.C4(N)=O.CO2 |
24046 | CCN(CC)S(=O)(=O)c1cc(Cl)c(C)cc1OC | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][=C][Ring1][Branch2][O][C] | S5(=O)(=O)c1cc(Cl)c(C)cc12.N345.CC3.C4C.O2C |
24047 | COc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccccn1 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c12ccc6cc1S4(=O)=O.c15ccccn1.C6(C)C.CO2.N34.C35 |
24048 | CCOc1cc(S(=O)(=O)NCc2ccccn2)c(C)cc1C | [C][C][O][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][C][C][=C][Ring2][Ring1][C][C] | c14cc(S6(=O)=O)c(C)cc1C.c17ccccn1.CC3.O34.N56.C57 |
24049 | CCOc1ccc(S(=O)(=O)NCc2ccccn2)c(C)c1C | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C][C] | c14ccc(S6(=O)=O)c(C)c1C.c17ccccn1.CC3.O34.N56.C57 |
24050 | CCOc1cc(C)c(Cl)cc1S(=O)(=O)N(CC)CC | [C][C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C] | c13cc(C)c(Cl)cc1S6(=O)=O.N456.CC2.O23.C4C.C5C |
24053 | CCN(CC)S(=O)(=O)c1ccc(Br)c(OC)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] | S5(=O)(=O)c1ccc(Br)c2c1.N345.CC3.C4C.O2C |
24054 | CCNS(=O)(=O)c1ccc(Br)c(OC)c1 | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] | S4(=O)(=O)c1ccc(Br)c2c1.CC3.N34.O2C |
24055 | COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1 | [C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c12ccc6cc1S4(=O)=O.c15ccco1.C6(C)(C)C.CO2.N34.C35 |
24059 | CCOc1cc(S(=O)(=O)N(CC)CC)ccc1Br | [C][C][O][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Ring1][=C][Br] | c13cc(S6(=O)=O)ccc1Br.N456.CC2.O23.C4C.C5C |
24060 | CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCOCC1 | [C][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c13ccc5cc1S4(=O)=O.N14CCOCC1.C5(C)(C)C.CC2.O23 |
24061 | CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCOCC1 | [C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c13ccc5cc1S4(=O)=O.N14CCOCC1.C5(C)C.CC2.O23 |
24062 | C#CC(C)(CC)NS(=O)(=O)c1cc(Cl)ccc1OC | [C][#C][C][Branch1][C][C][Branch1][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C] | S4(=O)(=O)c1cc(Cl)ccc12.C#CC3(C)CC.N34.O2C |
24063 | CCOc1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl | [C][C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][S][Cl] | c14cc(S5(=O)=O)ccc1Cl.c16ccccn1.CC3.O34.N56 |
24064 | COc1cc(S(=O)(=O)Nc2ccccn2)ccc1Br | [C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][S][Br] | c13cc(S4(=O)=O)ccc1Br.c15ccccn1.CO3.N45 |
24065 | COc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c(C)c1C | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C][C] | c13ccc(S4(=O)=O)c(C)c1C.c15ccc(Cl)cn1.CO3.N45 |
24070 | CCOc1cc(Cl)c(S(=O)(=O)N(C)C)cc1Cl | [C][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][=N][Cl] | c13cc(Cl)c(S4(=O)=O)cc1Cl.N4(C)C.CC2.O23 |
24071 | CCOc1ccc(S(=O)(=O)N(C)C)c(C)c1C | [C][C][O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][=N][C] | c13ccc(S4(=O)=O)c(C)c1C.N4(C)C.CC2.O23 |
24073 | CCOc1cc(S(=O)(=O)Nc2cccnc2)ccc1F | [C][C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][F] | c14cc(S5(=O)=O)ccc1F.c16cccnc1.CC3.O34.N56 |
24074 | CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccncc1 | [C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c13ccc6cc1S4(=O)=O.c15ccncc1.C6(C)C.CC2.O23.N45 |
24075 | CCOc1cc(S(=O)(=O)n2cnc3ccccc32)ccc1F | [C][C][O][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][C][F] | c15cc(S(=O)(=O)n2cnc3ccccc32)ccc1F.CC4.O45 |
24076 | CCOc1ccc(C)cc1S(=O)(=O)n1cnc2ccccc21 | [C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | c14ccc(C)cc1S(=O)(=O)n1cnc2ccccc21.CC3.O34 |
24078 | CCOc1ccc(C)cc1S(=O)(=O)n1nc(C)cc1C | [C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C] | c13ccc(C)cc1S(=O)(=O)n1nc(C)cc1C.CC2.O23 |
24079 | CCOc1cc(S(=O)(=O)N(CC)CC)ccc1F | [C][C][O][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Ring1][=C][F] | c13cc(S6(=O)=O)ccc1F.N456.CC2.O23.C4C.C5C |
24080 | CCOc1cc(S(=O)(=O)NC2CCCCC2)ccc1F | [C][C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][S][F] | c14cc(S5(=O)=O)ccc1F.C16CCCCC1.CC3.O34.N56 |
24081 | Cc1ccnc(NS(=O)(=O)c2ccc(F)c(C)c2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][C] | S3(=O)(=O)c1ccc(F)c(C)c1.Cc1ccnc4c1.N34 |
24082 | COc1cc(S(=O)(=O)Nc2ncccc2C)ccc1F | [C][O][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][P][F] | c13cc(S4(=O)=O)ccc1F.c15ncccc1C.CO3.N45 |
24083 | COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ncccc1C | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C] | c12cc(C)c(Cl)cc1S3(=O)=O.c14ncccc1C.CO2.N34 |
24084 | CCOc1cc(S(=O)(=O)Nc2ccccn2)ccc1F | [C][C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][S][F] | c14cc(S5(=O)=O)ccc1F.c16ccccn1.CC3.O34.N56 |
24085 | CCCc1nn(C)c(C(N)=O)c1NC(=O)c1ccccc1OCC | [C][C][C][C][=N][N][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C] | c18nn(C)c6c15.c17ccccc14.CCC8.C6(N)=O.C27=O.N25.O34.C3C |
24086 | CNS(=O)(=O)c1ccccc1Br | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | S2(=O)(=O)c1ccccc1Br.CN2 |
24087 | O=c1nc2n(c3ccc(Br)cc13)CCS2 | [O][=C][N][=C][N][Branch1][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][O][Ring1][#Branch1][C][C][S][Ring1][N] | O=c1nc2n(c3ccc(Br)cc13)CCS2 |
24088 | COc1ccc(OC)c2c1nc1n2CCCS1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=C][N][Ring1][Branch1][C][C][C][S][Ring1][=Branch1] | c13ccc4c2c1nc1n2CCCS1.CO3.O4C |
24090 | CC(=O)OC1c2cccc3cccc(c23)C1OC(C)=O | [C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][N][O][C][Branch1][C][C][=O] | O4C1c2cccc3cccc(c23)C1O5.CC4=O.C5(C)=O |
24091 | CCOc1cc(-n2nc(C)c(C#N)c2N)nc(SC)n1 | [C][C][O][C][=C][C][Branch1][S][N][N][=C][Branch1][C][C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][N][=N][C][Branch1][Ring1][S][C][=N][Ring1][P] | n15nc(C)c(C#N)c1N.c14cc5nc6n1.CC3.O34.S6C |
24092 | CSc1nc(Oc2ccc(F)cc2)cc(-n2ncc(C#N)c2N)n1 | [C][S][C][=N][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch1][=N][N][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch1][N][=N][Ring2][Ring1][=Branch1] | c16nc3cc5n1.n15ncc(C#N)c1N.c14ccc(F)cc1.CS6.O34 |
24093 | CCc1nn(-c2nc(OC)cc(OC)n2)c(N)c1C#N | [C][C][C][=N][N][Branch1][P][C][=N][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=N][Ring1][#Branch2][C][Branch1][C][N][=C][Ring1][S][C][#N] | c15nn6c(N)c1C#N.c16nc3cc4n1.CC5.O3C.O4C |
24094 | COc1cc(OC)nc(-n2ncc(OC)c(Br)c2=O)n1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch1][P][N][N][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][Br][C][Ring1][=Branch2][=O][=N][Ring2][Ring1][C] | n16ncc5c(Br)c1=O.c13cc4nc6n1.CO3.O4C.O5C |
24095 | COc1cc(-n2ncc(OC)c(Cl)c2=O)nc(-c2ccccc2)n1 | [C][O][C][=C][C][Branch1][P][N][N][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][Cl][C][Ring1][=Branch2][=O][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | n15ncc4c(Cl)c1=O.c13cc5nc6n1.c16ccccc1.CO3.O4C |
24097 | Cc1ccccc1-c1nn2c(C(F)(F)F)nnc2s1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][=C][Ring1][=Branch2][S][Ring1][N] | c14nn2c3nnc2s1.Cc1ccccc14.C3(F)(F)F |
24099 | Cc1ccc(Oc2cc(-n3ncc(C#N)c3N)ncn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][=C][C][Branch1][=N][N][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch1][N][=N][C][=N][Ring1][=C][C][=C][Ring2][Ring1][Branch1] | n16ncc(C#N)c1N.Cc1ccc5cc1.c14cc6ncn1.O45 |
24100 | Cc1ccccc1Cc1nnc2sc(-c3ccncc3)nn12 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][N][=C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O] | c14nnc2sc6nn12.Cc1ccccc15.c16ccncc1.C45 |
24101 | Cc1cc(C)n(-c2cc(Oc3ccccc3)ncn2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][=N][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n6n1.c16cc4ncn1.c15ccccc1.O45 |
24102 | Cc1ccc(Oc2cc(-n3nc(C)cc3C)ncn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][=C][C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][C][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.c14cc6ncn1.n16nc(C)cc1C.O45 |
24103 | Cc1cc(-c2nn3c(-c4ccccc4)nnc3s2)n(C)n1 | [C][C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][N][Branch1][C][C][N][=Ring2][Ring1][Ring2] | c15nn2c6nnc2s1.Cc1cc5n(C)n1.c16ccccc1 |
24104 | CCOC(=O)c1cc(C)nn1-c1nnc(C(F)(F)F)s1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2] | c14cc(C)nn16.c16nnc5s1.C5(F)(F)F.C24=O.CC3.O23 |
24105 | Cc1ccc(Oc2cc(-n3nc(C)c(C#N)c3N)ncn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][O][C][=C][C][Branch1][S][N][N][=C][Branch1][C][C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][N][=N][C][=N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | n16nc(C)c(C#N)c1N.Cc1ccc5cc1.c14cc6ncn1.O45 |
24106 | CCc1nn(-c2cc(Oc3ccc(C)cc3)ncn2)c(N)c1C#N | [C][C][C][=N][N][Branch2][Ring1][#Branch1][C][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C][C][Branch1][C][N][=C][Ring2][Ring1][Ring2][C][#N] | c16nn7c(N)c1C#N.c17cc4ncn1.c15ccc(C)cc1.CC6.O45 |
24107 | CCc1nn(-c2cc(Oc3ccc(C)cc3)ncn2)c(N)c1C(N)=O | [C][C][C][=N][N][Branch2][Ring1][#Branch1][C][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C][C][Branch1][C][N][=C][Ring2][Ring1][Ring2][C][Branch1][C][N][=O] | c17nn8c(N)c16.c18cc4ncn1.c15ccc(C)cc1.C6(N)=O.CC7.O45 |
24108 | Cc1ccc(Oc2cc(-n3nc(C)c(C(N)=O)c3N)ncn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][O][C][=C][C][Branch2][Ring1][Ring1][N][N][=C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][N][=N][C][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1] | n17nc(C)c6c1N.Cc1ccc5cc1.c14cc7ncn1.C6(N)=O.O45 |
24109 | CCOC(=O)c1cnn(-c2cc(Oc3ccc(C)cc3)ncn2)c1C | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][#Branch1][C][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C][C][=Ring2][Ring1][Ring1][C] | c18cnn9c1C.c19cc6ncn1.c17ccc(C)cc1.C48=O.CC5.O45.O67 |
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