ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
14856 | COc1cccc(CNC(=O)c2cc(=O)[nH]c3ccccc23)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | c17cc(=O)[nH]c2ccccc12.c15cccc8c1.C47=O.CO5.C68.N46 |
14857 | O=C(NCC1CCCO1)c1cc(=O)[nH]c2ccccc12 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15cc(=O)[nH]c2ccccc12.C16CCCO1.O=C35.N34.C46 |
14858 | O=C(NCc1ccco1)c1cc(=O)[nH]c2ccccc12 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15cc(=O)[nH]c2ccccc12.c16ccco1.O=C35.N34.C46 |
14859 | CCOC(=O)c1cccnc1SCC(=O)Nc1ccc(C)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c17cccnc18.c16ccc(C)cc1.C5C3=O.C27=O.CC4.O24.S58.N36 |
14860 | O=C(NCc1cccs1)C1CCCN(c2nc3ccccc3o2)C1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][Ring1][#C] | c16nc2ccccc2o1.C17CCCN6C1.c18cccs1.O=C47.N45.C58 |
14861 | O=C(NCc1ccccc1)C1CCCN(c2nc3ccccc3o2)C1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][Ring1][#C] | c16nc2ccccc2o1.C17CCCN6C1.c18ccccc1.O=C47.N45.C58 |
14862 | CCOc1ccc(Cl)cc1S(=O)(=O)N1CCCCC1 | [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][Ring1][=Branch1] | c13ccc(Cl)cc1S4(=O)=O.N14CCCCC1.CC2.O23 |
14863 | O=C1CSc2ccccc2N1CC(O)=NCCC1=CCCCC1 | [O][=C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][Branch1][C][O][=N][C][C][C][=C][C][C][C][C][Ring1][=Branch1] | O=C1CSc2ccccc2N1CC(O)=NCCC1=CCCCC1 |
14867 | Cc1ccc(CNC(=O)CN2C(=O)CSc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | C4(=O)CN1C(=O)CSc2ccccc21.Cc1ccc6cc1.C56.N45 |
14869 | Cc1ccc(CCNC(=O)CN2C(=O)CSc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | C4(=O)CN1C(=O)CSc2ccccc21.Cc1ccc6cc1.C6C5.N45 |
14870 | CC(C)NC(=O)CCCc1cn(C)c2ccccc12 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cn(C)c2ccccc12.C3(=O)CCC5.CC4C.N34 |
14871 | CC(C(=O)NCc1ccccn1)N1C(=O)COc2ccc(Cl)cc21 | [C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N] | CC(C3=O)N1C(=O)COc2ccc(Cl)cc21.c15ccccn1.N34.C45 |
14872 | O=C(CN1C(=O)CSc2ccccc21)N1CCCC1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][C][C][Ring1][Branch1] | O=C3CN1C(=O)CSc2ccccc21.N13CCCC1 |
14873 | CC1CCCCC1NC(=O)CN1C(=O)CSc2ccccc21 | [C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | C3(=O)CN1C(=O)CSc2ccccc21.CC1CCCCC14.N34 |
14874 | COc1ccc(Cl)cc1S(=O)(=O)N1CCCCC1 | [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][Ring1][=Branch1] | c12ccc(Cl)cc1S3(=O)=O.N13CCCCC1.CO2 |
14875 | CCOC(=O)c1cccnc1SCC(=O)Nc1ccc(C)cc1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C] | c16ccc(C)cc1C.c17cccnc18.C5C3=O.C27=O.CC4.O24.S58.N36 |
14878 | CCC(C)NC(=O)C1(C)CCC(=O)N1CCc1ccc(C)cc1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | C14(C)CCC(=O)N15.c16ccc(C)cc1.CCC3C.C24=O.C5C6.N23 |
14879 | O=C(NC1CC1)C1CCN(S(=O)(=O)N2CCCCC2)CC1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C] | C15CCN(S(=O)(=O)N2CCCCC2)CC1.O=C35.C14CC1.N34 |
14880 | CCC(C)NC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C] | C15CCN(S(=O)(=O)N2CCCCC2)CC1.CCC4C.C35=O.N34 |
14881 | CCC1Oc2ccccc2N(CC(=O)N(C)Cc2ccccc2)C1=O | [C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O] | C15Oc2ccccc2N(CC3=O)C1=O.c16ccccc1.N34C.CC5.C46 |
14882 | CCC1Oc2ccccc2N(CC(=O)NCC2CCCO2)C1=O | [C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][Ring2][Ring1][Ring2][=O] | C15Oc2ccccc2N(CC3=O)C1=O.C16CCCO1.CC5.N34.C46 |
14883 | CCC1Oc2ccccc2N(CC(=O)NCc2ccccn2)C1=O | [C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | C15Oc2ccccc2N(CC3=O)C1=O.c16ccccn1.CC5.N34.C46 |
14887 | CCC1Oc2ccccc2N(CC(=O)NCc2cccnc2)C1=O | [C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | C15Oc2ccccc2N(CC3=O)C1=O.c16cccnc1.CC5.N34.C46 |
14888 | CCC1Oc2ccccc2N(CC(=O)NCc2ccco2)C1=O | [C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][Ring2][=O] | C15Oc2ccccc2N(CC3=O)C1=O.c16ccco1.CC5.N34.C46 |
14889 | CCC1Oc2ccccc2N(CC(=O)NC2CCCC2)C1=O | [C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][Ring1][=O] | C15Oc2ccccc2N(CC3=O)C1=O.C14CCCC1.CC5.N34 |
14890 | CCC1Oc2ccccc2N(CC(=O)NC2CC2)C1=O | [C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring1][P][=O] | C15Oc2ccccc2N(CC3=O)C1=O.C14CC1.CC5.N34 |
14891 | CCC1Oc2ccccc2N(CC(=O)NCc2cccs2)C1=O | [C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring2][Ring1][Ring2][=O] | C15Oc2ccccc2N(CC3=O)C1=O.c16cccs1.CC5.N34.C46 |
14892 | CC1CC(C)CN(C(=O)c2ccc3c(c2)ncn3C2CCCC2)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][#Branch1] | c15ccc2c(c1)ncn26.CC1CC(C)CN4C1.C16CCCC1.C45=O |
14893 | CN(Cc1ccccc1)C(=O)c1ccc2c(c1)ncn2C1CCCC1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1] | c15ccc2c(c1)ncn27.c16ccccc1.C17CCCC1.CN34.C35=O.C46 |
14894 | CC(C)CCNC(=O)C1CC(=O)N(C2CCCCCC2)C1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N6C1.C16CCCCCC1.CC(C)CC4.C35=O.N34 |
14896 | O=C(NCCc1ccccc1)C1CC(=O)N(C2CCCCCC2)C1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N7C1.C17CCCCCC1.c16ccccc1.O=C35.C4C6.N34 |
14897 | CC(C)NC(=O)C1CC(=O)N(C2CCCCCC2)C1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N6C1.C16CCCCCC1.CC4C.C35=O.N34 |
14898 | O=C(NCc1ccccc1)C1CC(=O)N(C2CCCCCC2)C1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N7C1.C17CCCCCC1.c16ccccc1.O=C35.N34.C46 |
14899 | CCC(C)N1C(=O)CCC1C(=O)NCCc1ccc(Cl)cc1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | N15C(=O)CCC14.c16ccc(Cl)cc1.CCC5C.C24=O.C3C6.N23 |
14900 | CCC(C)N1C(=O)CCC1C(=O)NCc1ccc2c(c1)OCO2 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.N16C(=O)CCC15.CCC6C.C35=O.N34.C47 |
14901 | COc1ccc(CNC(=O)C2CC(=O)N(C3CCCCCC3)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] | c15ccc8cc1.C17CC(=O)N9C1.C19CCCCCC1.C47=O.CO5.C68.N46 |
14902 | COc1ccc(CNC(=O)C2CCC(=O)N2C(C)C)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c14ccc9c5c1.C17CCC(=O)N18.C37=O.C8(C)C.CO4.C69.N36.O5C |
14904 | Cc1ccc(CCNC(=O)C2CCC(=O)N2C(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc7cc1.C15CCC(=O)N16.C7C4.C35=O.C6(C)C.N34 |
14905 | Cc1ccc(CCNC(=O)C2CC(=O)N(CCC(C)C)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.C15CC(=O)N6C1.C6CC(C)C.C7C4.C35=O.N34 |
14906 | O=S(=O)(NCc1ccncc1)c1cc(Cl)ccc1Cl | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | O=S3(=O)c1cc(Cl)ccc1Cl.c14ccncc1.N23.C24 |
14907 | CC(C)CCN1CC(C(=O)NCc2ccccc2Cl)CC1=O | [C][C][Branch1][C][C][C][C][N][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][S][=O] | N16CC5CC1=O.c17ccccc1Cl.CC(C)CC6.C35=O.N34.C47 |
14908 | CC(C)CCN1CC(C(=O)NCc2ccccc2)CC1=O | [C][C][Branch1][C][C][C][C][N][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=O] | N16CC5CC1=O.c17ccccc1.CC(C)CC6.C35=O.N34.C47 |
14909 | CC(C)CCN1CC(C(=O)NCc2ccc(F)cc2)CC1=O | [C][C][Branch1][C][C][C][C][N][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S][=O] | N16CC5CC1=O.c17ccc(F)cc1.CC(C)CC6.C35=O.N34.C47 |
14910 | O=C(NCc1ccc(F)cc1)C1CC(=O)N(C2CCCCCC2)C1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][=N] | c16ccc(F)cc1.C15CC(=O)N7C1.C17CCCCCC1.O=C35.N34.C46 |
14911 | COc1ccc(OC)c(CNC(=O)C2CCC(=O)N2C(C)C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch1] | c14ccc5c9c1.C17CCC(=O)N18.C37=O.C8(C)C.CO4.O5C.C69.N36 |
14912 | O=c1oc2ccccc2c2c1ncn2C1CCCCC1 | [O][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][N][=C][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1] | O=c1oc2ccccc2c2c1ncn23.C13CCCCC1 |
14913 | O=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1ccc(F)cc1 | [O][=C][Branch2][Ring1][Branch1][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | n15nc7ccc1=O.c16ccc(F)cc1.c17ccccc1.O=C3C5.N34.C46 |
14914 | CC(C)CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O] | n15nc6ccc1=O.c16ccccc1.CC(C)CC4.C3(=O)C5.N34 |
14915 | O=C(Cn1nc(-c2ccccc2)ccc1=O)NC1CCCC1 | [O][=C][Branch2][Ring1][Branch1][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O][N][C][C][C][C][C][Ring1][Branch1] | n15nc6ccc1=O.c16ccccc1.C14CCCC1.O=C3C5.N34 |
14916 | O=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1cccs1 | [O][=C][Branch2][Ring1][Branch1][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O][N][C][C][=C][C][=C][S][Ring1][Branch1] | n15nc7ccc1=O.c17ccccc1.c16cccs1.O=C3C5.N34.C46 |
14917 | O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch1][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O][N][C][C][O][C][C][Ring1][=Branch1] | n14nc5ccc1=O.c15ccccc1.N13CCOCC1.O=C3C4 |
14918 | CCC(C)NC(=O)Cn1nc(-c2ccccc2)ccc1=O | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O] | n15nc6ccc1=O.c16ccccc1.CCC4C.C3(=O)C5.N34 |
14919 | Cc1ccc(CCNC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O][C][=C][Ring2][Ring1][=Branch2] | n16nc8ccc1=O.Cc1ccc7cc1.c18ccccc1.C4(=O)C6.C7C5.N45 |
14920 | CC1CCCCC1NC(=O)Cn1nc(-c2ccccc2)ccc1=O | [C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O] | n15nc6ccc1=O.CC1CCCCC14.c16ccccc1.C3(=O)C5.N34 |
14922 | O=C(Cn1nc(-c2ccccc2)ccc1=O)NCC1CCCO1 | [O][=C][Branch2][Ring1][Branch1][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O][N][C][C][C][C][C][O][Ring1][Branch1] | n15nc7ccc1=O.c17ccccc1.C16CCCO1.O=C3C5.N34.C46 |
14924 | O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCc1ccccc1 | [O][=C][Branch2][Ring1][Branch1][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15nc7ccc1=O.c17ccccc1.c16ccccc1.O=C3C5.C4C6.N34 |
14925 | O=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1cccnc1 | [O][=C][Branch2][Ring1][Branch1][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | n15nc7ccc1=O.c17ccccc1.c16cccnc1.O=C3C5.N34.C46 |
14927 | CC(NC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccccc1 | [C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15nc7ccc1=O.c17ccccc1.c16ccccc1.C3(=O)C5.CC46.N34 |
14928 | O=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1ccccn1 | [O][=C][Branch2][Ring1][Branch1][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | n15nc7ccc1=O.c17ccccc1.c16ccccn1.O=C3C5.N34.C46 |
14929 | Cc1ccc(CCNC(=O)C2CCCN(S(C)(=O)=O)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.C16CCCN5C1.S5(C)(=O)=O.C7C4.C36=O.N34 |
14930 | CS(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P] | N15CCCC6C1.c17ccccc1.CS5(=O)=O.C36=O.C4C7.N34 |
14931 | CS(=O)(=O)N1CCCC(C(=O)NCc2ccco2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][#C] | N15CCCC6C1.c17ccco1.CS5(=O)=O.C36=O.N34.C47 |
14932 | CS(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#C] | N14CCCC6C1.C15CCCCC1.CS4(=O)=O.C36=O.N35 |
14933 | CS(=O)(=O)N1CCCC(C(=O)NCCC2=CCCCC2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][Ring1][P] | C4CC1=CCCCC1.N15CCCC6C1.CS5(=O)=O.C36=O.N34 |
14934 | CC1CCCCC1NC(=O)C1CCCN(S(C)(=O)=O)C1 | [C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2] | CC1CCCCC14.C15CCCN3C1.S3(C)(=O)=O.C25=O.N24 |
14935 | O=C(NCc1ccco1)C1CCN(S(=O)(=O)N2CCCC2)CC1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][N][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C] | C15CCN(S(=O)(=O)N2CCCC2)CC1.c16ccco1.O=C35.N34.C46 |
14936 | Cc1ccc(CNC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O][C][=C][Ring2][Ring1][Branch2] | n16nc8ccc1=O.Cc1ccc7cc1.c18ccccc1.C4(=O)C6.C57.N45 |
14937 | O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCCCC1 | [O][=C][Branch2][Ring1][Branch1][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O][N][C][C][C][C][C][Ring1][=Branch1] | n14nc5ccc1=O.c15ccccc1.N13CCCCC1.O=C3C4 |
14938 | CC(c1ccccc1)N1CC(C(=O)NC2CCCC2)CC1=O | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][=O] | N16CC5CC1=O.c17ccccc1.C14CCCC1.CC67.C35=O.N34 |
14939 | CC(C)NC(=O)C1CC(=O)N(C(C)c2ccccc2)C1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | C15CC(=O)N6C1.c17ccccc1.CC4C.C35=O.C67C.N34 |
14940 | O=C(Nn1cnnc1)c1ccc(Br)cc1 | [O][=C][Branch1][=Branch2][N][N][C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | O=C2Nn1cnnc1.c12ccc(Br)cc1 |
14941 | CC(C)NC(=O)Cn1nc(-c2ccccc2)ccc1=O | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O] | n15nc6ccc1=O.c16ccccc1.C3(=O)C5.CC4C.N34 |
14942 | O=C(CCN1C(=O)COc2ccccc21)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | O=C3CCN1C(=O)COc2ccccc21.N13CCOCC1 |
14943 | CS(=O)(=O)N1CCCC(C(=O)NCc2ccccn2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][S] | N15CCCC6C1.c17ccccn1.CS5(=O)=O.C36=O.N34.C47 |
14944 | CC(C)CCNC(=O)C1CCCN(S(C)(=O)=O)C1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2] | C15CCCN4C1.CC(C)CC3.S4(C)(=O)=O.C25=O.N23 |
14945 | Cc1cc(C(=O)C(C)Sc2nnnn2-c2ccccc2)ccc1O | [C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=Branch1][O] | Cc1cc4ccc1O.c16nnnn15.c15ccccc1.C4(=O)C3C.S36 |
14946 | CS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C] | N15CCCC6C1.c17ccc(Cl)cc1.CS5(=O)=O.C36=O.C4C7.N34 |
14947 | CS(=O)(=O)N1CCCC(C(=O)NC2CCCC2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][Ring1][=C] | N14CCCC6C1.C15CCCC1.CS4(=O)=O.C36=O.N35 |
14948 | CS(=O)(=O)N1CCCC(C(=O)NC2CCCCCC2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][S] | N14CCCC6C1.C15CCCCCC1.CS4(=O)=O.C36=O.N35 |
14949 | CS(=O)(=O)N1CCCC(C(=O)N2CCC3(CC2)OCCO3)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Ring2][Ring1][C] | N14CCC2(CC1)OCCO2.N15CCCC6C1.CS5(=O)=O.C46=O |
14951 | CS(=O)(=O)N1CCCC(C(=O)NCc2cccnc2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][S] | N15CCCC6C1.c17cccnc1.CS5(=O)=O.C36=O.N34.C47 |
14952 | CS(=O)(=O)N1CCCC(C(=O)NCC2CCCO2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][Ring1][#C] | N15CCCC6C1.C17CCCO1.CS5(=O)=O.C36=O.N34.C47 |
14954 | O=C(CN1C(=O)COc2ccccc21)NCc1cccs1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][=C][C][=C][S][Ring1][Branch1] | O=C3CN1C(=O)COc2ccccc21.c15cccs1.N34.C45 |
14955 | O=C(CN1C(=O)COc2ccccc21)NCc1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | O=C3CN1C(=O)COc2ccccc21.c15ccc2c(c1)OCO2.N34.C45 |
14958 | CC(C)CCNC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C] | C15CCN(S(=O)(=O)N2CCCC2)CC1.CC(C)CC4.C35=O.N34 |
14959 | CCOC(=O)C1CCCN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2][C][Ring2][Ring1][C] | C17CCCN4C1.C18CCCN6C1.S6(C)(=O)=O.C37=O.C48=O.CC5.O35 |
14960 | CS(=O)(=O)N1CCCC(C(=O)N2CCOCC2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=C] | N14CCCC5C1.N13CCOCC1.CS4(=O)=O.C35=O |
14961 | CC1CCN(C(=O)C2CCCN(S(C)(=O)=O)C2)CC1 | [C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2][C][C][Ring2][Ring1][C] | CC1CCN3CC1.C15CCCN4C1.S4(C)(=O)=O.C35=O |
14962 | CS(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc3C2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Ring2][Ring1][C] | N14CCc2ccccc2C1.N15CCCC6C1.CS5(=O)=O.C46=O |
14963 | CS(=O)(=O)N1CCCC(C(=O)N2CCCCC2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=C] | N14CCCC5C1.N13CCCCC1.CS4(=O)=O.C35=O |
14964 | CC1CC(C)CN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2][C][Ring2][Ring1][Ring1] | CC1CC(C)CN3C1.C15CCCN4C1.S4(C)(=O)=O.C35=O |
14965 | CC(C)CCNC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=C] | c16ccc(F)c(Cl)c1.C15CC(=O)N6C1.CC(C)CC4.C35=O.N34 |
14966 | Cc1ccc(CCNC(=O)C2CC(=O)N(C3CCCC3)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.C16CC(=O)N8C1.C18CCCC1.C7C5.C46=O.N45 |
14967 | O=C(NCc1cccnc1)C1CC(=O)N(C2CCCCC2)C1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N] | C15CC(=O)N7C1.c16cccnc1.C17CCCCC1.O=C35.N34.C46 |
14968 | O=C(NCc1ccc2c(c1)OCO2)C1CCC(=O)N1C1CCCCC1 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c16ccc2c(c1)OCO2.C15CCC(=O)N17.C17CCCCC1.O=C35.N34.C46 |
14970 | O=C(CN1C(=O)COc2ccccc21)NCc1ccc(F)cc1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=C3CN1C(=O)COc2ccccc21.c15ccc(F)cc1.N34.C45 |
14971 | CC1CCCCC1NC(=O)CN1C(=O)COc2ccccc21 | [C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | C3(=O)CN1C(=O)COc2ccccc21.CC1CCCCC14.N34 |
14972 | O=C(CN1C(=O)COc2ccccc21)NCCc1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=C3CN1C(=O)COc2ccccc21.c15ccc(Cl)cc1.C4C5.N34 |
14974 | CC(NC(=O)CN1C(=O)COc2ccccc21)c1ccccc1 | [C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(=O)CN1C(=O)COc2ccccc21.c15ccccc1.CC45.N34 |
14975 | O=C(CN1C(=O)COc2ccccc21)NCC1CCCO1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][C][C][C][O][Ring1][Branch1] | O=C3CN1C(=O)COc2ccccc21.C15CCCO1.N34.C45 |
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