EdisonScientific/glyph-datasets huggingface dataset:
SMILES: Cc1cc(C)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c(C)c1Nc1cccnc1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Branch1][C][C][=C][Ring2][Ring1][Branch1][N][C][=C][C][=C][N][=C][Ring1][=Branch1]
InChI: InChI=1S/C20H19Cl2N3O3S/c1-11-7-12(2)19(13(3)18(11)24-15-5-4-6-23-10-15)25-29(27,28)17-9-14(21)8-16(22)20(17)26/h4-10,24-26H,1-3H3
SMILES: Cc1cc(C)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c(C)c1Nc1ccccn1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Branch1][C][C][=C][Ring2][Ring1][Branch1][N][C][=C][C][=C][C][=N][Ring1][=Branch1]
InChI: InChI=1S/C20H19Cl2N3O3S/c1-11-8-12(2)19(13(3)18(11)24-17-6-4-5-7-23-17)25-29(27,28)16-10-14(21)9-15(22)20(16)26/h4-10,25-26H,1-3H3,(H,23,24)
SMILES: COc1ccc(-c2ccccc2)c(C(=O)Nc2c(C)cc(C)c(N3CCCC3)c2C)c1
SELFIES: [C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C27H30N2O2/c1-18-16-19(2)26(29-14-8-9-15-29)20(3)25(18)28-27(30)24-17-22(31-4)12-13-23(24)21-10-6-5-7-11-21/h5-7,10-13,16-17H,8-9,14-15H2,1-4H3,(H,28,30)
SMILES: Cc1ccc(-c2ccccc2)c(C(=O)Nc2c(C)cc(C)c(N3CCCC3)c2C)c1
SELFIES: [C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C27H30N2O/c1-18-12-13-23(22-10-6-5-7-11-22)24(16-18)27(30)28-25-19(2)17-20(3)26(21(25)4)29-14-8-9-15-29/h5-7,10-13,16-17H,8-9,14-15H2,1-4H3,(H,28,30)
SMILES: Cc1ccccc1-c1ccccc1C(=O)Nc1c(C)cc(C)c(N2CCCC2)c1C
SELFIES: [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][C]
InChI: InChI=1S/C27H30N2O/c1-18-11-5-6-12-22(18)23-13-7-8-14-24(23)27(30)28-25-19(2)17-20(3)26(21(25)4)29-15-9-10-16-29/h5-8,11-14,17H,9-10,15-16H2,1-4H3,(H,28,30)
SMILES: Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1cccc(C)c1-c1ccccc1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C27H30N2O/c1-18-11-10-14-23(24(18)22-12-6-5-7-13-22)27(30)28-25-19(2)17-20(3)26(21(25)4)29-15-8-9-16-29/h5-7,10-14,17H,8-9,15-16H2,1-4H3,(H,28,30)
SMILES: Cc1cccc(-c2ccc(C)cc2C(=O)Nc2c(C)cc(C)c(N3CCCC3)c2C)c1
SELFIES: [C][C][=C][C][=C][C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C28H32N2O/c1-18-9-8-10-23(15-18)24-12-11-19(2)16-25(24)28(31)29-26-20(3)17-21(4)27(22(26)5)30-13-6-7-14-30/h8-12,15-17H,6-7,13-14H2,1-5H3,(H,29,31)
SMILES: Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1ccccc1-c1ccc(Cl)cc1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C26H27ClN2O/c1-17-16-18(2)25(29-14-6-7-15-29)19(3)24(17)28-26(30)23-9-5-4-8-22(23)20-10-12-21(27)13-11-20/h4-5,8-13,16H,6-7,14-15H2,1-3H3,(H,28,30)
SMILES: Cc1cc(C)c(N2Cc3ccccc3C2)c(C)c1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][=C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][Branch1][C][C][=C][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C31H27F3N2O/c1-19-16-20(2)29(36-17-23-8-4-5-9-24(23)18-36)21(3)28(19)35-30(37)27-11-7-6-10-26(27)22-12-14-25(15-13-22)31(32,33)34/h4-16H,17-18H2,1-3H3,(H,35,37)
SMILES: Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C27H27F3N2O/c1-17-16-18(2)25(32-14-6-7-15-32)19(3)24(17)31-26(33)23-9-5-4-8-22(23)20-10-12-21(13-11-20)27(28,29)30/h4-5,8-13,16H,6-7,14-15H2,1-3H3,(H,31,33)
SMILES: COc1ccc(-c2cccc(C)c2)c(C(=O)Nc2c(C)cc(C)c(N3CCCC3)c2C)c1
SELFIES: [C][O][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C28H32N2O2/c1-18-9-8-10-22(15-18)24-12-11-23(32-5)17-25(24)28(31)29-26-19(2)16-20(3)27(21(26)4)30-13-6-7-14-30/h8-12,15-17H,6-7,13-14H2,1-5H3,(H,29,31)
SMILES: COc1ccc(-c2ccccc2)cc1S(=O)(=O)Nc1c(C)cc(C)c(N2CCCC2)c1C
SELFIES: [C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][C]
InChI: InChI=1S/C26H30N2O3S/c1-18-16-19(2)26(28-14-8-9-15-28)20(3)25(18)27-32(29,30)24-17-22(12-13-23(24)31-4)21-10-6-5-7-11-21/h5-7,10-13,16-17,27H,8-9,14-15H2,1-4H3
SMILES: COc1ccc(-c2ccccc2C)cc1S(=O)(=O)Nc1c(C)cc(C)c(N2CCCC2)c1C
SELFIES: [C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][C]
InChI: InChI=1S/C27H32N2O3S/c1-18-10-6-7-11-23(18)22-12-13-24(32-5)25(17-22)33(30,31)28-26-19(2)16-20(3)27(21(26)4)29-14-8-9-15-29/h6-7,10-13,16-17,28H,8-9,14-15H2,1-5H3
SMILES: Cc1cc(C)c(N(CCN(C)C)S(=O)(=O)c2cc(Cl)cc(Cl)c2O)c(C)c1N1CCCCC1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][P][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Branch1][C][C][=C][Ring2][Ring1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C24H33Cl2N3O3S/c1-16-13-17(2)23(18(3)22(16)28-9-7-6-8-10-28)29(12-11-27(4)5)33(31,32)21-15-19(25)14-20(26)24(21)30/h13-15,30H,6-12H2,1-5H3
SMILES: Cc1cc(C)c(O)c(S(=O)(=O)N(CCN(C)C)c2c(C)cc(C)c(N3CCCCC3)c2C)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][C][O][C][Branch2][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C26H39N3O3S/c1-18-15-21(4)26(30)23(16-18)33(31,32)29(14-13-27(6)7)25-20(3)17-19(2)24(22(25)5)28-11-9-8-10-12-28/h15-17,30H,8-14H2,1-7H3
SMILES: Cc1cc(C)c(N2CCCC2)c(C)c1NS(=O)(=O)c1cc(-c2ccccc2)ccc1O
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][O]
InChI: InChI=1S/C25H28N2O3S/c1-17-15-18(2)25(27-13-7-8-14-27)19(3)24(17)26-31(29,30)23-16-21(11-12-22(23)28)20-9-5-4-6-10-20/h4-6,9-12,15-16,26,28H,7-8,13-14H2,1-3H3
SMILES: Cc1ccccc1-c1ccc(O)c(S(=O)(=O)Nc2c(C)cc(C)c(N3CCCC3)c2C)c1
SELFIES: [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C26H30N2O3S/c1-17-9-5-6-10-22(17)21-11-12-23(29)24(16-21)32(30,31)27-25-18(2)15-19(3)26(20(25)4)28-13-7-8-14-28/h5-6,9-12,15-16,27,29H,7-8,13-14H2,1-4H3
SMILES: Cc1ccc(S(=O)(=O)Nc2c(C)cc(C)c(N3CCCC3)c2C)c(O)c1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][C][C][Branch1][C][O][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H26N2O3S/c1-13-7-8-18(17(23)11-13)26(24,25)21-19-14(2)12-15(3)20(16(19)4)22-9-5-6-10-22/h7-8,11-12,21,23H,5-6,9-10H2,1-4H3
SMILES: Cc1cc(C)c(N2CCCC2)c(C)c1NS(=O)(=O)c1ccc(O)cc1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C19H24N2O3S/c1-13-12-14(2)19(21-10-4-5-11-21)15(3)18(13)20-25(23,24)17-8-6-16(22)7-9-17/h6-9,12,20,22H,4-5,10-11H2,1-3H3
SMILES: Cc1cc(C)c(N2CCCC2)c(C)c1NS(=O)(=O)c1ccc(N)cc1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C19H25N3O2S/c1-13-12-14(2)19(22-10-4-5-11-22)15(3)18(13)21-25(23,24)17-8-6-16(20)7-9-17/h6-9,12,21H,4-5,10-11,20H2,1-3H3
SMILES: Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1ccc(N)cc1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C20H25N3O/c1-13-12-14(2)19(23-10-4-5-11-23)15(3)18(13)22-20(24)16-6-8-17(21)9-7-16/h6-9,12H,4-5,10-11,21H2,1-3H3,(H,22,24)
SMILES: Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1cccc(N)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]
InChI: InChI=1S/C20H25N3O/c1-13-11-14(2)19(23-9-4-5-10-23)15(3)18(13)22-20(24)16-7-6-8-17(21)12-16/h6-8,11-12H,4-5,9-10,21H2,1-3H3,(H,22,24)
SMILES: Cc1cc(C)c(N2CCCC2)c(C)c1NS(=O)(=O)c1ccccc1CN
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N]
InChI: InChI=1S/C20H27N3O2S/c1-14-12-15(2)20(23-10-6-7-11-23)16(3)19(14)22-26(24,25)18-9-5-4-8-17(18)13-21/h4-5,8-9,12,22H,6-7,10-11,13,21H2,1-3H3
SMILES: Cc1cc(C)c(N2CCCC2)c(C)c1NS(=O)(=O)c1cccc(CN)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][N][=C][Ring1][Branch2]
InChI: InChI=1S/C20H27N3O2S/c1-14-11-15(2)20(23-9-4-5-10-23)16(3)19(14)22-26(24,25)18-8-6-7-17(12-18)13-21/h6-8,11-12,22H,4-5,9-10,13,21H2,1-3H3
SMILES: Cc1cc(C)c(N2CCCC2)c(C)c1NS(=O)(=O)c1ccc(CN)cc1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][N][C][=C][Ring1][Branch2]
InChI: InChI=1S/C20H27N3O2S/c1-14-12-15(2)20(23-10-4-5-11-23)16(3)19(14)22-26(24,25)18-8-6-17(13-21)7-9-18/h6-9,12,22H,4-5,10-11,13,21H2,1-3H3
SMILES: Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)Nc1ccc(Cl)cc1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][=N][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C20H24ClN3O/c1-13-12-14(2)19(24-10-4-5-11-24)15(3)18(13)23-20(25)22-17-8-6-16(21)7-9-17/h6-9,12H,4-5,10-11H2,1-3H3,(H2,22,23,25)
SMILES: Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)NS(=O)(=O)c1ccc(Cl)cc1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][=N][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C20H24ClN3O3S/c1-13-12-14(2)19(24-10-4-5-11-24)15(3)18(13)22-20(25)23-28(26,27)17-8-6-16(21)7-9-17/h6-9,12H,4-5,10-11H2,1-3H3,(H2,22,23,25)
SMILES: Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)Nc1ccccc1-c1ccccc1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][=N][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C26H29N3O/c1-18-17-19(2)25(29-15-9-10-16-29)20(3)24(18)28-26(30)27-23-14-8-7-13-22(23)21-11-5-4-6-12-21/h4-8,11-14,17H,9-10,15-16H2,1-3H3,(H2,27,28,30)
SMILES: Cc1cc(C)c(N2CCCCC2)c(C)c1NC(=O)NCCN1CCN(Cc2ccccc2)CC1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][N][C][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C28H41N5O/c1-22-20-23(2)27(33-13-8-5-9-14-33)24(3)26(22)30-28(34)29-12-15-31-16-18-32(19-17-31)21-25-10-6-4-7-11-25/h4,6-7,10-11,20H,5,8-9,12-19,21H2,1-3H3,(H2,29,30,34)
SMILES: COc1ccc(CCC2c3cc(OC)c(OC)cc3CCN2CCNC(=O)Nc2c(C)cc(C)c(N3CCCCC3)c2C)cc1OC
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][#Branch2][C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C][N][Ring1][=C][C][C][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=C][C][C][=C][Ring2][Ring2][O][O][C]
InChI: InChI=1S/C38H52N4O5/c1-25-21-26(2)37(42-17-9-8-10-18-42)27(3)36(25)40-38(43)39-16-20-41-19-15-29-23-34(46-6)35(47-7)24-30(29)31(41)13-11-28-12-14-32(44-4)33(22-28)45-5/h12,14,21-24,31H,8-11,13,15-20H2,1-7H3,(H2,39,40,43)
SMILES: Cc1cc(C)c(N2CCCCC2)c(C)c1NC(=O)Nc1c(C)cc(C)c(N2CCN(C)CC2)c1C
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring1][#C][C]
InChI: InChI=1S/C29H43N5O/c1-19-17-21(3)27(33-11-9-8-10-12-33)23(5)25(19)30-29(35)31-26-20(2)18-22(4)28(24(26)6)34-15-13-32(7)14-16-34/h17-18H,8-16H2,1-7H3,(H2,30,31,35)
SMILES: CN(C)CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1O
SELFIES: [C][N][Branch1][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O]
InChI: InChI=1S/C22H27Cl2N3O4S/c1-25(2)11-12-26(15-16-7-4-3-5-8-16)22(29)19-9-6-10-27(19)32(30,31)20-14-17(23)13-18(24)21(20)28/h3-5,7-8,13-14,19,28H,6,9-12,15H2,1-2H3/t19-/m0/s1
SMILES: CCOC(=O)C[C@H](NS(=O)(=O)c1ccccc1)c1ccc2c(c1)CC(C)N2CC
SELFIES: [C][C][O][C][=Branch1][C][=O][C][C@H1][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][C][N][Ring1][#Branch1][C][C]
InChI: InChI=1S/C22H28N2O4S/c1-4-24-16(3)13-18-14-17(11-12-21(18)24)20(15-22(25)28-5-2)23-29(26,27)19-9-7-6-8-10-19/h6-12,14,16,20,23H,4-5,13,15H2,1-3H3/t16?,20-/m0/s1
SMILES: COc1ccc(S(=O)(=O)n2ccc3ccc(C(=O)Nc4c(C)cc(C)c(N5CCCC5)c4C)cc32)cc1OC
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][Ring1][O][C]
InChI: InChI=1S/C30H33N3O5S/c1-19-16-20(2)29(32-13-6-7-14-32)21(3)28(19)31-30(34)23-9-8-22-12-15-33(25(22)17-23)39(35,36)24-10-11-26(37-4)27(18-24)38-5/h8-12,15-18H,6-7,13-14H2,1-5H3,(H,31,34)
SMILES: COc1ccc(C(=O)N[C@@H](C)C(=O)N(Cc2ccccc2)Cc2cccs2)cc1N1CCCC1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][O][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C27H31N3O3S/c1-20(27(32)30(19-23-11-8-16-34-23)18-21-9-4-3-5-10-21)28-26(31)22-12-13-25(33-2)24(17-22)29-14-6-7-15-29/h3-5,8-13,16-17,20H,6-7,14-15,18-19H2,1-2H3,(H,28,31)/t20-/m0/s1
SMILES: CC(C)NCC1([N+](=O)[O-])COCN(C(C)C)C1
SELFIES: [C][C][Branch1][C][C][N][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][O][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][N]
InChI: InChI=1S/C11H23N3O3/c1-9(2)12-5-11(14(15)16)6-13(10(3)4)8-17-7-11/h9-10,12H,5-8H2,1-4H3
SMILES: CC(C)(CNc1ccccc1)[N+](=O)[O-]
SELFIES: [C][C][Branch1][C][C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]
InChI: InChI=1S/C10H14N2O2/c1-10(2,12(13)14)8-11-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
SMILES: OCCN1CN(CCO)CN(CCO)C1
SELFIES: [O][C][C][N][C][N][Branch1][Ring2][C][C][O][C][N][Branch1][Ring2][C][C][O][C][Ring1][N]
InChI: InChI=1S/C9H21N3O3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h13-15H,1-9H2
SMILES: O=C(Cl)CCCCCN1C(=O)C=CC1=O
SELFIES: [O][=C][Branch1][C][Cl][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O]
InChI: InChI=1S/C10H12ClNO3/c11-8(13)4-2-1-3-7-12-9(14)5-6-10(12)15/h5-6H,1-4,7H2
SMILES: C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1cc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)N=C1
SELFIES: [C][=C][C][=N][C][Ring1][Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Branch2][Ring1][P][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][Branch1][Ring2][NH1][Ring1][Branch1][=C][Ring2][Ring2][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C44H30N4/c1-5-13-29(14-6-1)41-33-27-40(45-28-33)44(32-19-11-4-12-20-32)39-26-25-38(48-39)43(31-17-9-3-10-18-31)37-24-23-36(47-37)42(30-15-7-2-8-16-30)35-22-21-34(41)46-35/h1-28,46,48H/b41-33+,41-34-,42-35-,42-36-,43-37-,43-38-,44-39-,44-40+
SMILES: Cc1c2cc(c(C)c3ccc([nH]3)c(C)c3nc(c(C)c4[nH]c1CC4)CC3)C=N2
SELFIES: [C][C][C][=C][C][=Branch2][Ring2][=Branch2][=C][Branch1][C][C][C][=C][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][Branch1][C][C][=C][N][=C][Branch1][#C][C][Branch1][C][C][=C][NH1][C][=Ring2][Ring1][Branch1][C][C][Ring1][Branch1][C][C][Ring1][N][C][=N][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C24H26N4/c1-13-17-11-24(25-12-17)16(4)23-10-9-22(28-23)15(3)21-8-7-20(27-21)14(2)19-6-5-18(13)26-19/h5-6,11-12,26,28H,7-10H2,1-4H3/b17-13+,20-14-,22-15-,23-16-
SMILES: Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)CC2=O
SELFIES: [C][N][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=O]
InChI: InChI=1S/C17H16N2O/c1-17(2)9-16(20)13-6-4-11(8-14(13)17)15-7-5-12(10-18)19(15)3/h4-8H,9H2,1-3H3
SMILES: Cn1c(C#N)ccc1-c1ccc2c(c1)CCCC2=O
SELFIES: [C][N][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=O]
InChI: InChI=1S/C16H14N2O/c1-18-13(10-17)6-8-15(18)12-5-7-14-11(9-12)3-2-4-16(14)19/h5-9H,2-4H2,1H3
SMILES: O=[N+]([O-])c1ccc(C2OCc3ccc(CO)cc3CO2)cc1
SELFIES: [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][Ring2][C][O][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C16H15NO5/c18-8-11-1-2-13-9-21-16(22-10-14(13)7-11)12-3-5-15(6-4-12)17(19)20/h1-7,16,18H,8-10H2
SMILES: OCc1ccc2c(c1)COC1(CCCCC1)OC2
SELFIES: [O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][C][Ring1][=N]
InChI: InChI=1S/C15H20O3/c16-9-12-4-5-13-10-17-15(6-2-1-3-7-15)18-11-14(13)8-12/h4-5,8,16H,1-3,6-7,9-11H2
SMILES: COC1OCc2ccc(CO)cc2CO1
SELFIES: [C][O][C][O][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][O][Ring1][=N]
InChI: InChI=1S/C11H14O4/c1-13-11-14-6-9-3-2-8(5-12)4-10(9)7-15-11/h2-4,11-12H,5-7H2,1H3
SMILES: OCc1ccc2c(c1)COC(c1ccccc1)OC2
SELFIES: [O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C]
InChI: InChI=1S/C16H16O3/c17-9-12-6-7-14-10-18-16(19-11-15(14)8-12)13-4-2-1-3-5-13/h1-8,16-17H,9-11H2
SMILES: CC1(C)OCc2ccc(CO)cc2CO1
SELFIES: [C][C][Branch1][C][C][O][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][O][Ring1][=C]
InChI: InChI=1S/C12H16O3/c1-12(2)14-7-10-4-3-9(6-13)5-11(10)8-15-12/h3-5,13H,6-8H2,1-2H3
SMILES: O=[N+]([O-])c1ccc(C2OCc3ccc(CCl)cc3CO2)cc1
SELFIES: [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][Ring2][C][O][C][C][=C][C][=C][Branch1][Ring1][C][Cl][C][=C][Ring1][Branch2][C][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C16H14ClNO4/c17-8-11-1-2-13-9-21-16(22-10-14(13)7-11)12-3-5-15(6-4-12)18(19)20/h1-7,16H,8-10H2
SMILES: CS(=O)(=O)OCc1ccc2c(c1)COC(c1ccc([N+](=O)[O-])cc1)OC2
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O][C][Ring1][P]
InChI: InChI=1S/C17H17NO7S/c1-26(21,22)25-9-12-2-3-14-10-23-17(24-11-15(14)8-12)13-4-6-16(7-5-13)18(19)20/h2-8,17H,9-11H2,1H3
SMILES: CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(S(N)(=O)=O)cc1
SELFIES: [C][C][C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=N][O][C][C][C][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C24H27NO5S/c1-2-7-19-18-22(30-21-8-4-3-5-9-21)12-15-24(19)29-17-6-16-28-20-10-13-23(14-11-20)31(25,26)27/h3-5,8-15,18H,2,6-7,16-17H2,1H3,(H2,25,26,27)
SMILES: NS(=O)(=O)c1cccc(O)c1
SELFIES: [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]
InChI: InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4,8H,(H2,7,9,10)
SMILES: CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc(S(N)(=O)=O)c1
SELFIES: [C][C][C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=N][O][C][C][C][O][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][#Branch2]
InChI: InChI=1S/C24H27NO5S/c1-2-8-19-17-22(30-20-9-4-3-5-10-20)13-14-24(19)29-16-7-15-28-21-11-6-12-23(18-21)31(25,26)27/h3-6,9-14,17-18H,2,7-8,15-16H2,1H3,(H2,25,26,27)
SMILES: CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
SELFIES: [C][C][C][C][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][=C][O][C][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C31H37FN2O6S/c1-2-7-23-22-28(40-27-12-10-24(32)11-13-27)16-19-30(23)39-21-6-20-38-26-14-17-29(18-15-26)41(36,37)34-31(35)33-25-8-4-3-5-9-25/h10-19,22,25H,2-9,20-21H2,1H3,(H2,33,34,35)
SMILES: O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1
SELFIES: [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][C][O][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][Cl][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C28H30ClFN2O6S/c29-26-19-24(38-23-9-7-20(30)8-10-23)13-16-27(26)37-18-4-17-36-22-11-14-25(15-12-22)39(34,35)32-28(33)31-21-5-2-1-3-6-21/h7-16,19,21H,1-6,17-18H2,(H2,31,32,33)