EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C.CCCC(=O)[C@H](CS)NOC(=O)CCN1CCC(C(c2ccccc2)c2ccccc2)CC1
SELFIES: [C].[C][C][C][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][O][C][=Branch1][C][=O][C][C][N][C][C][C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C27H36N2O3S.CH4/c1-2-9-25(30)24(20-33)28-32-26(31)16-19-29-17-14-23(15-18-29)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22;/h3-8,10-13,23-24,27-28,33H,2,9,14-20H2,1H3;1H4/t24-;/m0./s1
SMILES: C.CCOC(=O)c1ccc(C(CCN(C)C)c2ccccn2)cc1
SELFIES: [C].[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C19H24N2O2.CH4/c1-4-23-19(22)16-10-8-15(9-11-16)17(12-14-21(2)3)18-7-5-6-13-20-18;/h5-11,13,17H,4,12,14H2,1-3H3;1H4
SMILES: CCCC(=O)[C@H](CS)NOC(=O)c1ccc(C(CCN(C)C)c2ccccn2)cc1
SELFIES: [C][C][C][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C23H31N3O3S/c1-4-7-22(27)21(16-30)25-29-23(28)18-11-9-17(10-12-18)19(13-15-26(2)3)20-8-5-6-14-24-20/h5-6,8-12,14,19,21,25,30H,4,7,13,15-16H2,1-3H3/t19?,21-/m0/s1
SMILES: Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][=C][/C][=Branch1][#Branch2][=C][\C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][=N][Ring1][O][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+
SMILES: C.CCOC(=O)/C=C\c1cccc(/C(=C/CN2CCCC2)c2ccc(C)cc2)n1
SELFIES: [C].[C][C][O][C][=Branch1][C][=O][/C][=C][\C][=C][C][=C][C][Branch2][Ring1][Branch2][/C][=Branch1][#Branch2][=C][/C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1]
InChI: InChI=1S/C24H28N2O2.CH4/c1-3-28-24(27)14-13-21-7-6-8-23(25-21)22(15-18-26-16-4-5-17-26)20-11-9-19(2)10-12-20;/h6-15H,3-5,16-18H2,1-2H3;1H4/b14-13-,22-15+;
SMILES: C.CCOC(=O)CCN1CCC(C2c3ccccc3COc3ccccc32)CC1
SELFIES: [C].[C][C][O][C][=Branch1][C][=O][C][C][N][C][C][C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C24H29NO3.CH4/c1-2-27-23(26)13-16-25-14-11-18(12-15-25)24-20-8-4-3-7-19(20)17-28-22-10-6-5-9-21(22)24;/h3-10,18,24H,2,11-17H2,1H3;1H4
SMILES: C.CCCC(=O)[C@H](CS)NOC(=O)CCN1CCC(C2c3ccccc3COc3ccccc32)CC1
SELFIES: [C].[C][C][C][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][O][C][=Branch1][C][=O][C][C][N][C][C][C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C28H36N2O4S.CH4/c1-2-7-25(31)24(19-35)29-34-27(32)14-17-30-15-12-20(13-16-30)28-22-9-4-3-8-21(22)18-33-26-11-6-5-10-23(26)28;/h3-6,8-11,20,24,28-29,35H,2,7,12-19H2,1H3;1H4/t24-,28?;/m0./s1
SMILES: Cc1ccc(/C(=C\CN2CCCC2)c2cccc(CCC(=O)O)n2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][=C][/C][=Branch1][#Branch2][=C][\C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=N][Ring1][O][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C22H26N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-10,13H,2-3,11-12,14-16H2,1H3,(H,25,26)/b20-13+
SMILES: C.CCOC(=O)CCc1cccc(/C(=C/CN2CCCC2)c2ccc(C)cc2)n1
SELFIES: [C].[C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][Branch2][Ring1][Branch2][/C][=Branch1][#Branch2][=C][/C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1]
InChI: InChI=1S/C24H30N2O2.CH4/c1-3-28-24(27)14-13-21-7-6-8-23(25-21)22(15-18-26-16-4-5-17-26)20-11-9-19(2)10-12-20;/h6-12,15H,3-5,13-14,16-18H2,1-2H3;1H4/b22-15+;
SMILES: C.CCOC(=O)CN1CCC(C(c2ccccc2)c2ccccc2)CC1
SELFIES: [C].[C][C][O][C][=Branch1][C][=O][C][N][C][C][C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C22H27NO2.CH4/c1-2-25-21(24)17-23-15-13-20(14-16-23)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19;/h3-12,20,22H,2,13-17H2,1H3;1H4
SMILES: C.CCOC(=O)/C=C\c1cccc(/C(=C\CN2CCCC2)c2ccc(C)cc2)n1
SELFIES: [C].[C][C][O][C][=Branch1][C][=O][/C][=C][\C][=C][C][=C][C][Branch2][Ring1][Branch2][/C][=Branch1][#Branch2][=C][\C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1]
InChI: InChI=1S/C24H28N2O2.CH4/c1-3-28-24(27)14-13-21-7-6-8-23(25-21)22(15-18-26-16-4-5-17-26)20-11-9-19(2)10-12-20;/h6-15H,3-5,16-18H2,1-2H3;1H4/b14-13-,22-15-;
SMILES: Cc1ccc(/C(=C\CN2CCCC2)c2cccc(C(=O)O)n2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][N][/C][=Branch1][#Branch2][=C][\C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C20H22N2O2/c1-15-7-9-16(10-8-15)17(11-14-22-12-2-3-13-22)18-5-4-6-19(21-18)20(23)24/h4-11H,2-3,12-14H2,1H3,(H,23,24)/b17-11+
SMILES: C.CCOC(=O)c1cccc(/C(=C/CN2CCCC2)c2ccc(C)cc2)n1
SELFIES: [C].[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][/C][=Branch1][#Branch2][=C][/C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1]
InChI: InChI=1S/C22H26N2O2.CH4/c1-3-26-22(25)21-8-6-7-20(23-21)19(13-16-24-14-4-5-15-24)18-11-9-17(2)10-12-18;/h6-13H,3-5,14-16H2,1-2H3;1H4/b19-13+;
SMILES: C.CCCC(=O)[C@H](CS)NOC(=O)CN1CCC(C(c2ccccc2)c2ccccc2)CC1
SELFIES: [C].[C][C][C][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][O][C][=Branch1][C][=O][C][N][C][C][C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C26H34N2O3S.CH4/c1-2-9-24(29)23(19-32)27-31-25(30)18-28-16-14-22(15-17-28)26(20-10-5-3-6-11-20)21-12-7-4-8-13-21;/h3-8,10-13,22-23,26-27,32H,2,9,14-19H2,1H3;1H4/t23-;/m0./s1
SMILES: C.CCOC(=O)CCN1CCC(C(c2ccccc2)c2ccccc2)CC1
SELFIES: [C].[C][C][O][C][=Branch1][C][=O][C][C][N][C][C][C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C23H29NO2.CH4/c1-2-26-22(25)15-18-24-16-13-21(14-17-24)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,21,23H,2,13-18H2,1H3;1H4
SMILES: CC(C)(CN1CCC(=C2c3ccccc3COc3ccccc32)CC1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Ring2][Ring1][C][N][C][C][C][=Branch2][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C24H27NO3/c1-24(2,23(26)27)16-25-13-11-17(12-14-25)22-19-8-4-3-7-18(19)15-28-21-10-6-5-9-20(21)22/h3-10H,11-16H2,1-2H3,(H,26,27)
SMILES: CC(C)(CC(=O)O)CN1CCC(=C2c3ccccc3COc3ccccc32)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][N][C][C][C][=Branch2][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C25H29NO3/c1-25(2,15-23(27)28)17-26-13-11-18(12-14-26)24-20-8-4-3-7-19(20)16-29-22-10-6-5-9-21(22)24/h3-10H,11-17H2,1-2H3,(H,27,28)
SMILES: CC(C)(CN1CCC(=C2c3ccc(C(F)(F)F)cc3COc3ccccc32)CC1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Ring2][=C][C][N][C][C][C][=Branch2][Ring1][P][=C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C25H26F3NO3/c1-24(2,23(30)31)15-29-11-9-16(10-12-29)22-19-8-7-18(25(26,27)28)13-17(19)14-32-21-6-4-3-5-20(21)22/h3-8,13H,9-12,14-15H2,1-2H3,(H,30,31)
SMILES: CC(C)(CN1CCC(=C2c3ccccc3COc3ccc(CCO)cc32)CC1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Ring2][=Branch2][C][N][C][C][C][=Branch2][Ring1][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][Ring2][C][C][O][C][=C][Ring1][=Branch2][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H31NO4/c1-26(2,25(29)30)17-27-12-9-19(10-13-27)24-21-6-4-3-5-20(21)16-31-23-8-7-18(11-14-28)15-22(23)24/h3-8,15,28H,9-14,16-17H2,1-2H3,(H,29,30)
SMILES: C.CCOC(=O)CN1CCC(=C2c3ccccc3COc3ccccc32)CC1
SELFIES: [C].[C][C][O][C][=Branch1][C][=O][C][N][C][C][C][=Branch2][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C23H25NO3.CH4/c1-2-26-22(25)15-24-13-11-17(12-14-24)23-19-8-4-3-7-18(19)16-27-21-10-6-5-9-20(21)23;/h3-10H,2,11-16H2,1H3;1H4
SMILES: CC(C)(CCN1CCC(=C2c3ccc(C(F)(F)F)cc3COc3ccccc32)CC1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Ring2][#C][C][C][N][C][C][C][=Branch2][Ring1][P][=C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H28F3NO3/c1-25(2,24(31)32)11-14-30-12-9-17(10-13-30)23-20-8-7-19(26(27,28)29)15-18(20)16-33-22-6-4-3-5-21(22)23/h3-8,15H,9-14,16H2,1-2H3,(H,31,32)
SMILES: Cc1ccc2c(c1)COc1ccccc1C2=C1CCN(CC(C)(C)C(=O)O)CC1
SELFIES: [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=C][C][C][N][Branch1][=C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][Ring1][=N]
InChI: InChI=1S/C25H29NO3/c1-17-8-9-20-19(14-17)15-29-22-7-5-4-6-21(22)23(20)18-10-12-26(13-11-18)16-25(2,3)24(27)28/h4-9,14H,10-13,15-16H2,1-3H3,(H,27,28)
SMILES: O=C(O)CCN1CCC(=C2c3ccccc3COc3ccc(CCO)cc32)CC1
SELFIES: [O][=C][Branch1][C][O][C][C][N][C][C][C][=Branch2][Ring1][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][Ring2][C][C][O][C][=C][Ring1][=Branch2][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C24H27NO4/c26-14-10-17-5-6-22-21(15-17)24(20-4-2-1-3-19(20)16-29-22)18-7-11-25(12-8-18)13-9-23(27)28/h1-6,15,26H,7-14,16H2,(H,27,28)
SMILES: O=C(O)CCN1CCC(=C2c3ccccc3COc3ccccc32)CC1
SELFIES: [O][=C][Branch1][C][O][C][C][N][C][C][C][=Branch2][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C22H23NO3/c24-21(25)11-14-23-12-9-16(10-13-23)22-18-6-2-1-5-17(18)15-26-20-8-4-3-7-19(20)22/h1-8H,9-15H2,(H,24,25)
SMILES: CC(C)(CC(=O)O)N1CCC(=C2c3ccccc3COc3ccccc32)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][C][C][=Branch2][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C24H27NO3/c1-24(2,15-22(26)27)25-13-11-17(12-14-25)23-19-8-4-3-7-18(19)16-28-21-10-6-5-9-20(21)23/h3-10H,11-16H2,1-2H3,(H,26,27)
SMILES: CC(C)(CCC(=O)O)N1CCC(=C2c3ccccc3COc3ccccc32)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][C][C][=Branch2][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C25H29NO3/c1-25(2,14-11-23(27)28)26-15-12-18(13-16-26)24-20-8-4-3-7-19(20)17-29-22-10-6-5-9-21(22)24/h3-10H,11-17H2,1-2H3,(H,27,28)
SMILES: CC(C)(CN1CCC(=C2c3ccc(Cl)cc3COc3ccccc32)CC1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Ring2][=Branch1][C][N][C][C][C][=Branch2][Ring1][=Branch2][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S][C][C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C24H26ClNO3/c1-24(2,23(27)28)15-26-11-9-16(10-12-26)22-19-8-7-18(25)13-17(19)14-29-21-6-4-3-5-20(21)22/h3-8,13H,9-12,14-15H2,1-2H3,(H,27,28)
SMILES: CC(C)(CN1CCC(=C2c3ccccc3COc3ccc(CO)cc32)CC1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Ring2][#Branch1][C][N][C][C][C][=Branch2][Ring1][#Branch2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][Ring1][P][C][C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C25H29NO4/c1-25(2,24(28)29)16-26-11-9-18(10-12-26)23-20-6-4-3-5-19(20)15-30-22-8-7-17(14-27)13-21(22)23/h3-8,13,27H,9-12,14-16H2,1-2H3,(H,28,29)
SMILES: O=C(O)CCN1CCC(=C2c3ccccc3COc3ccc(CO)cc32)CC1
SELFIES: [O][=C][Branch1][C][O][C][C][N][C][C][C][=Branch2][Ring1][#Branch2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][Ring1][P][C][C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C23H25NO4/c25-14-16-5-6-21-20(13-16)23(19-4-2-1-3-18(19)15-28-21)17-7-10-24(11-8-17)12-9-22(26)27/h1-6,13,25H,7-12,14-15H2,(H,26,27)
SMILES: O=C(O)CN1CCC(=C2c3ccccc3COc3ccccc32)CC1
SELFIES: [O][=C][Branch1][C][O][C][N][C][C][C][=Branch2][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C21H21NO3/c23-20(24)13-22-11-9-15(10-12-22)21-17-6-2-1-5-16(17)14-25-19-8-4-3-7-18(19)21/h1-8H,9-14H2,(H,23,24)
SMILES: C.O=C(CCN1CCC(OC(c2ccccc2)c2ccccc2)CC1)OC1CCOCC1
SELFIES: [C].[O][=C][Branch2][Ring2][Ring1][C][C][N][C][C][C][Branch2][Ring1][Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2][O][C][C][C][O][C][C][Ring1][=Branch1]
InChI: InChI=1S/C26H33NO4.CH4/c28-25(30-24-14-19-29-20-15-24)13-18-27-16-11-23(12-17-27)31-26(21-7-3-1-4-8-21)22-9-5-2-6-10-22;/h1-10,23-24,26H,11-20H2;1H4
SMILES: Cl.O=C(O)CN1CCC(OC(c2ccccc2)c2ccccc2)CC1
SELFIES: [Cl].[O][=C][Branch1][C][O][C][N][C][C][C][Branch2][Ring1][Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C20H23NO3.ClH/c22-19(23)15-21-13-11-18(12-14-21)24-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;/h1-10,18,20H,11-15H2,(H,22,23);1H
SMILES: CC(C)(CN1CCC(=C2c3ccc(Cl)cc3COc3ccc(CCO)cc32)CC1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Ring2][N][C][N][C][C][C][=Branch2][Ring1][#C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][O][C][=C][C][=C][Branch1][Ring2][C][C][O][C][=C][Ring1][=Branch2][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H30ClNO4/c1-26(2,25(30)31)16-28-10-7-18(8-11-28)24-21-5-4-20(27)14-19(21)15-32-23-6-3-17(9-12-29)13-22(23)24/h3-6,13-14,29H,7-12,15-16H2,1-2H3,(H,30,31)
SMILES: C.O=C(CN1CCC(OC(c2ccccc2)c2ccccc2)CC1)OC1CCOCC1
SELFIES: [C].[O][=C][Branch2][Ring2][C][C][N][C][C][C][Branch2][Ring1][Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2][O][C][C][C][O][C][C][Ring1][=Branch1]
InChI: InChI=1S/C25H31NO4.CH4/c27-24(29-23-13-17-28-18-14-23)19-26-15-11-22(12-16-26)30-25(20-7-3-1-4-8-20)21-9-5-2-6-10-21;/h1-10,22-23,25H,11-19H2;1H4
SMILES: C.O=C(CN1CCC(=C(c2ccccc2)c2ccccc2)CC1)NC1CCCC1
SELFIES: [C].[O][=C][Branch2][Ring1][P][C][N][C][C][C][=Branch2][Ring1][Ring2][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][N][C][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C25H30N2O.CH4/c28-24(26-23-13-7-8-14-23)19-27-17-15-22(16-18-27)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21;/h1-6,9-12,23H,7-8,13-19H2,(H,26,28);1H4
SMILES: O=C(O)CCCN1CCC(=C2c3ccccc3COc3ccccc32)CC1
SELFIES: [O][=C][Branch1][C][O][C][C][C][N][C][C][C][=Branch2][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C23H25NO3/c25-22(26)10-5-13-24-14-11-17(12-15-24)23-19-7-2-1-6-18(19)16-27-21-9-4-3-8-20(21)23/h1-4,6-9H,5,10-16H2,(H,25,26)
SMILES: C.CC(C)NC(=O)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1
SELFIES: [C].[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][=Branch2][Ring1][Ring2][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C23H28N2O.CH4/c1-18(2)24-22(26)17-25-15-13-21(14-16-25)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,18H,13-17H2,1-2H3,(H,24,26);1H4
SMILES: Cc1cccc([N+](=O)[O-])c1
SELFIES: [C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]
InChI: InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
SMILES: CNC(=O)c1ccc(C)cc1
SELFIES: [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C9H11NO/c1-7-3-5-8(6-4-7)9(11)10-2/h3-6H,1-2H3,(H,10,11)
SMILES: CC(=O)Nc1ccc(C)cc1
SELFIES: [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
SMILES: CC(=O)c1ccc(C)cc1
SELFIES: [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3
SMILES: Cc1ccc(OC(F)(F)F)cc1
SELFIES: [C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O]
InChI: InChI=1S/C8H7F3O/c1-6-2-4-7(5-3-6)12-8(9,10)11/h2-5H,1H3
SMILES: COC(=O)c1ccc(C)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3
SMILES: Cc1ccc(-n2ccnc2)cc1
SELFIES: [C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O]
InChI: InChI=1S/C10H10N2/c1-9-2-4-10(5-3-9)12-7-6-11-8-12/h2-8H,1H3
SMILES: CCN(C)C(=O)c1ccccc1
SELFIES: [C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C10H13NO/c1-3-11(2)10(12)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
SMILES: CC(=O)N(C)CCCc1cccnc1
SELFIES: [C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1]
InChI: InChI=1S/C11H16N2O/c1-10(14)13(2)8-4-6-11-5-3-7-12-9-11/h3,5,7,9H,4,6,8H2,1-2H3
SMILES: CCN(CC)C(=O)c1cccnc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1]
InChI: InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3
SMILES: CCN(CC)C(=O)C(F)(F)F
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
InChI: InChI=1S/C6H10F3NO/c1-3-10(4-2)5(11)6(7,8)9/h3-4H2,1-2H3
SMILES: COC(=O)N(C)CCCc1cccnc1
SELFIES: [C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1]
InChI: InChI=1S/C11H16N2O2/c1-13(11(14)15-2)8-4-6-10-5-3-7-12-9-10/h3,5,7,9H,4,6,8H2,1-2H3
SMILES: CCOc1cncc(C)c1
SELFIES: [C][C][O][C][=C][N][=C][C][Branch1][C][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C8H11NO/c1-3-10-8-4-7(2)5-9-6-8/h4-6H,3H2,1-2H3
SMILES: Cc1cc(-c2ccccc2)no1
SELFIES: [C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O]
InChI: InChI=1S/C10H9NO/c1-8-7-10(11-12-8)9-5-3-2-4-6-9/h2-7H,1H3
SMILES: Cc1cc2ncccc2o1
SELFIES: [C][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2]
InChI: InChI=1S/C8H7NO/c1-6-5-7-8(10-6)3-2-4-9-7/h2-5H,1H3
SMILES: Cc1cc2ccncc2s1
SELFIES: [C][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][=Branch2]
InChI: InChI=1S/C8H7NS/c1-6-4-7-2-3-9-5-8(7)10-6/h2-5H,1H3
SMILES: Cc1cc2ccncc2[nH]1
SELFIES: [C][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
InChI: InChI=1S/C8H8N2/c1-6-4-7-2-3-9-5-8(7)10-6/h2-5,10H,1H3
SMILES: Cc1cc2ccc(N)cc2o1
SELFIES: [C][C][=C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][O][Ring1][#Branch2]
InChI: InChI=1S/C9H9NO/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-5H,10H2,1H3
SMILES: Cc1cc2ccc(N)cc2s1
SELFIES: [C][C][=C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][S][Ring1][#Branch2]
InChI: InChI=1S/C9H9NS/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-5H,10H2,1H3
SMILES: Cc1cc2ccc(N)cc2[nH]1
SELFIES: [C][C][=C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2]
InChI: InChI=1S/C9H10N2/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-5,11H,10H2,1H3
SMILES: Nc1ccccc1NC(=O)c1ccc(N2CC(COc3ccccc3)OC2=O)cc1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C23H21N3O4/c24-20-8-4-5-9-21(20)25-22(27)16-10-12-17(13-11-16)26-14-19(30-23(26)28)15-29-18-6-2-1-3-7-18/h1-13,19H,14-15,24H2,(H,25,27)
SMILES: Nc1ccc(OCC2CN(c3ccc(C(=O)Nc4ccccc4N)cc3)C(=O)O2)cc1
SELFIES: [N][C][=C][C][=C][Branch2][Ring2][=Branch2][O][C][C][C][N][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S][C][=Branch1][C][=O][O][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C23H22N4O4/c24-16-7-11-18(12-8-16)30-14-19-13-27(23(29)31-19)17-9-5-15(6-10-17)22(28)26-21-4-2-1-3-20(21)25/h1-12,19H,13-14,24-25H2,(H,26,28)
SMILES: Nc1ccccc1NC(=O)c1ccc(N2CC(COCc3ccccc3)OC2=O)cc1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C24H23N3O4/c25-21-8-4-5-9-22(21)26-23(28)18-10-12-19(13-11-18)27-14-20(31-24(27)29)16-30-15-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,26,28)
SMILES: Nc1ccccc1NC(=O)c1ccc(N2CC(COc3cccnc3)OC2=O)cc1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C22H20N4O4/c23-19-5-1-2-6-20(19)25-21(27)15-7-9-16(10-8-15)26-13-18(30-22(26)28)14-29-17-4-3-11-24-12-17/h1-12,18H,13-14,23H2,(H,25,27)
SMILES: Nc1ccccc1NC(=O)c1ccc(N2CC(COCc3cccnc3)OC2=O)cc1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][N][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C23H22N4O4/c24-20-5-1-2-6-21(20)26-22(28)17-7-9-18(10-8-17)27-13-19(31-23(27)29)15-30-14-16-4-3-11-25-12-16/h1-12,19H,13-15,24H2,(H,26,28)
SMILES: Nc1ccccc1NC(=O)c1ccc(N2CC(COc3cccc([N+](=O)[O-])c3)OC2=O)cc1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][N][C][C][Branch2][Ring1][C][C][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][O][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C23H20N4O6/c24-20-6-1-2-7-21(20)25-22(28)15-8-10-16(11-9-15)26-13-19(33-23(26)29)14-32-18-5-3-4-17(12-18)27(30)31/h1-12,19H,13-14,24H2,(H,25,28)
SMILES: Nc1ccccc1NC(=O)c1ccc(N2CC(COCc3ccccn3)OC2=O)cc1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][N][C][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][O][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C23H22N4O4/c24-20-6-1-2-7-21(20)26-22(28)16-8-10-18(11-9-16)27-13-19(31-23(27)29)15-30-14-17-5-3-4-12-25-17/h1-12,19H,13-15,24H2,(H,26,28)
SMILES: Nc1ccccc1NC(=O)c1ccc(N2CC(COc3ccccn3)OC2=O)cc1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][O][C][O][C][=C][C][=C][C][=N][Ring1][=Branch1][O][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C22H20N4O4/c23-18-5-1-2-6-19(18)25-21(27)15-8-10-16(11-9-15)26-13-17(30-22(26)28)14-29-20-7-3-4-12-24-20/h1-12,17H,13-14,23H2,(H,25,27)
SMILES: Nc1ccccc1NC(=O)c1ccc(CNc2c(NCc3cccnc3)c(=O)c2=O)cc1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=N][=O][C][=C][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C24H21N5O3/c25-18-5-1-2-6-19(18)29-24(32)17-9-7-15(8-10-17)13-27-20-21(23(31)22(20)30)28-14-16-4-3-11-26-12-16/h1-12,27-28H,13-14,25H2,(H,29,32)