EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC(=O)[C@H](Cc1ccc(N)cc1)OC
SELFIES: [C][C][O][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][O][C]
InChI: InChI=1S/C12H17NO3/c1-3-16-12(14)11(15-2)8-9-4-6-10(13)7-5-9/h4-7,11H,3,8,13H2,1-2H3/t11-/m0/s1
SMILES: CCOC(=O)[C@H](Cc1ccc(NCCCc2ccc(OS(C)(=O)=O)cc2)cc1)OC
SELFIES: [C][C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C]
InChI: InChI=1S/C22H29NO6S/c1-4-28-22(24)21(27-2)16-18-7-11-19(12-8-18)23-15-5-6-17-9-13-20(14-10-17)29-30(3,25)26/h7-14,21,23H,4-6,15-16H2,1-3H3/t21-/m0/s1
SMILES: CCOC(=O)C(Cc1ccc(NCCCc2ccc(OS(C)(=O)=O)cc2)cc1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C][C]
InChI: InChI=1S/C23H31NO6S/c1-4-28-22(23(25)29-5-2)17-19-8-12-20(13-9-19)24-16-6-7-18-10-14-21(15-11-18)30-31(3,26)27/h8-15,22,24H,4-7,16-17H2,1-3H3
SMILES: CCOC(=O)[C@H](Cc1ccc(NCCCc2ccc(OS(C)(=O)=O)cc2)cc1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C][C]
InChI: InChI=1S/C23H31NO6S/c1-4-28-22(23(25)29-5-2)17-19-8-12-20(13-9-19)24-16-6-7-18-10-14-21(15-11-18)30-31(3,26)27/h8-15,22,24H,4-7,16-17H2,1-3H3/t22-/m0/s1
SMILES: CCOC(=O)C(Cc1ccc(NC(=O)OCCCc2ccc(OS(C)(=O)=O)cc2)cc1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring2][#Branch2][C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch2][O][C][C]
InChI: InChI=1S/C24H31NO8S/c1-4-30-22(23(26)31-5-2)17-19-8-12-20(13-9-19)25-24(27)32-16-6-7-18-10-14-21(15-11-18)33-34(3,28)29/h8-15,22H,4-7,16-17H2,1-3H3,(H,25,27)
SMILES: CCOC(=O)C(Cc1ccc(NCCCc2cccc(OS(C)(=O)=O)c2)cc1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][C][=C][C][=C][C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C][C]
InChI: InChI=1S/C23H31NO6S/c1-4-28-22(23(25)29-5-2)17-19-11-13-20(14-12-19)24-15-7-9-18-8-6-10-21(16-18)30-31(3,26)27/h6,8,10-14,16,22,24H,4-5,7,9,15,17H2,1-3H3
SMILES: CCOC(=O)C(Cc1ccc(NCCCc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring2][S][C][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P][C][=C][Ring2][Ring1][O][O][C][C]
InChI: InChI=1S/C29H35NO6S/c1-4-34-28(29(31)35-5-2)21-24-10-14-25(15-11-24)30-20-6-7-23-12-16-26(17-13-23)36-37(32,33)27-18-8-22(3)9-19-27/h8-19,28,30H,4-7,20-21H2,1-3H3
SMILES: CCOC(=O)C(Cc1cccc(NCCCc2ccc(OS(C)(=O)=O)cc2)c1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring2][Branch1][C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][=C][Ring2][Ring1][Branch1][O][C][C]
InChI: InChI=1S/C23H31NO6S/c1-4-28-22(23(25)29-5-2)17-19-8-6-10-20(16-19)24-15-7-9-18-11-13-21(14-12-18)30-31(3,26)27/h6,8,10-14,16,22,24H,4-5,7,9,15,17H2,1-3H3
SMILES: CCOC(=O)C(Cc1ccc(NCCCc2ccc(OS(C)(=O)=O)cc2)cc1)OC(C)C
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C][Branch1][C][C][C]
InChI: InChI=1S/C24H33NO6S/c1-5-29-24(26)23(30-18(2)3)17-20-8-12-21(13-9-20)25-16-6-7-19-10-14-22(15-11-19)31-32(4,27)28/h8-15,18,23,25H,5-7,16-17H2,1-4H3
SMILES: CCOC(=O)C(Cc1ccc(NCCc2ccc(OS(C)(=O)=O)cc2)cc1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring2][Ring2][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C][C]
InChI: InChI=1S/C22H29NO6S/c1-4-27-21(22(24)28-5-2)16-18-6-10-19(11-7-18)23-15-14-17-8-12-20(13-9-17)29-30(3,25)26/h6-13,21,23H,4-5,14-16H2,1-3H3
SMILES: CCOC(=O)[C@H](Cc1ccc(NCCc2ccc(OS(C)(=O)=O)cc2)cc1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Ring2][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C][C]
InChI: InChI=1S/C22H29NO6S/c1-4-27-21(22(24)28-5-2)16-18-6-10-19(11-7-18)23-15-14-17-8-12-20(13-9-17)29-30(3,25)26/h6-13,21,23H,4-5,14-16H2,1-3H3/t21-/m0/s1
SMILES: CCOC(=O)C(Cc1ccc(NC/C=C/c2ccc(OS(C)(=O)=O)cc2)cc1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][/C][=C][/C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C][C]
InChI: InChI=1S/C23H29NO6S/c1-4-28-22(23(25)29-5-2)17-19-8-12-20(13-9-19)24-16-6-7-18-10-14-21(15-11-18)30-31(3,26)27/h6-15,22,24H,4-5,16-17H2,1-3H3/b7-6+
SMILES: CCOC(=O)[C@@H](Cc1ccc(NC/C=C/c2ccc(OS(C)(=O)=O)cc2)cc1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][/C][=C][/C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C][C]
InChI: InChI=1S/C23H29NO6S/c1-4-28-22(23(25)29-5-2)17-19-8-12-20(13-9-19)24-16-6-7-18-10-14-21(15-11-18)30-31(3,26)27/h6-15,22,24H,4-5,16-17H2,1-3H3/b7-6+/t22-/m1/s1
SMILES: CCOC(Cc1ccc(NCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)OC
SELFIES: [C][C][O][C][Branch2][Ring2][Ring1][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O][C]
InChI: InChI=1S/C20H25NO6S/c1-4-26-19(20(22)25-2)13-15-5-9-17(10-6-15)21-14-16-7-11-18(12-8-16)27-28(3,23)24/h5-12,19,21H,4,13-14H2,1-3H3
SMILES: CO[C@@H](Cc1ccc(NCCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
SELFIES: [C][O][C@@H1][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C20H25NO6S/c1-26-19(20(22)23)14-16-5-9-17(10-6-16)21-13-3-4-15-7-11-18(12-8-15)27-28(2,24)25/h5-12,19,21H,3-4,13-14H2,1-2H3,(H,22,23)/t19-/m0/s1
SMILES: CCOC(Cc1ccc(NCCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
SELFIES: [C][C][O][C][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C21H27NO6S/c1-3-27-20(21(23)24)15-17-6-10-18(11-7-17)22-14-4-5-16-8-12-19(13-9-16)28-29(2,25)26/h6-13,20,22H,3-5,14-15H2,1-2H3,(H,23,24)
SMILES: CCOC(Cc1ccc(NC(=O)OCCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
SELFIES: [C][C][O][C][Branch2][Ring2][#Branch2][C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C22H27NO8S/c1-3-29-20(21(24)25)15-17-6-10-18(11-7-17)23-22(26)30-14-4-5-16-8-12-19(13-9-16)31-32(2,27)28/h6-13,20H,3-5,14-15H2,1-2H3,(H,23,26)(H,24,25)
SMILES: CCO[C@@H](Cc1ccc(NCCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
SELFIES: [C][C][O][C@@H1][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C21H27NO6S/c1-3-27-20(21(23)24)15-17-6-10-18(11-7-17)22-14-4-5-16-8-12-19(13-9-16)28-29(2,25)26/h6-13,20,22H,3-5,14-15H2,1-2H3,(H,23,24)/t20-/m0/s1
SMILES: CCOC(Cc1ccc(NCCCc2cccc(OS(C)(=O)=O)c2)cc1)C(=O)O
SELFIES: [C][C][O][C][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][C][=C][C][=C][C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C21H27NO6S/c1-3-27-20(21(23)24)15-17-9-11-18(12-10-17)22-13-5-7-16-6-4-8-19(14-16)28-29(2,25)26/h4,6,8-12,14,20,22H,3,5,7,13,15H2,1-2H3,(H,23,24)
SMILES: CCOC(Cc1ccc(NCCCc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1)C(=O)O
SELFIES: [C][C][O][C][Branch2][Ring2][S][C][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P][C][=C][Ring2][Ring1][O][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H31NO6S/c1-3-33-26(27(29)30)19-22-8-12-23(13-9-22)28-18-4-5-21-10-14-24(15-11-21)34-35(31,32)25-16-6-20(2)7-17-25/h6-17,26,28H,3-5,18-19H2,1-2H3,(H,29,30)
SMILES: CCOC(Cc1cccc(NCCCc2ccc(OS(C)(=O)=O)cc2)c1)C(=O)O
SELFIES: [C][C][O][C][Branch2][Ring2][Branch1][C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C21H27NO6S/c1-3-27-20(21(23)24)15-17-6-4-8-18(14-17)22-13-5-7-16-9-11-19(12-10-16)28-29(2,25)26/h4,6,8-12,14,20,22H,3,5,7,13,15H2,1-2H3,(H,23,24)
SMILES: CC(C)OC(Cc1ccc(NCCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][O][C][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C22H29NO6S/c1-16(2)28-21(22(24)25)15-18-6-10-19(11-7-18)23-14-4-5-17-8-12-20(13-9-17)29-30(3,26)27/h6-13,16,21,23H,4-5,14-15H2,1-3H3,(H,24,25)
SMILES: CCOC(Cc1ccc(NCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
SELFIES: [C][C][O][C][Branch2][Ring2][Ring2][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C20H25NO6S/c1-3-26-19(20(22)23)14-16-4-8-17(9-5-16)21-13-12-15-6-10-18(11-7-15)27-28(2,24)25/h4-11,19,21H,3,12-14H2,1-2H3,(H,22,23)
SMILES: CCO[C@@H](Cc1ccc(NCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
SELFIES: [C][C][O][C@@H1][Branch2][Ring2][Ring2][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C20H25NO6S/c1-3-26-19(20(22)23)14-16-4-8-17(9-5-16)21-13-12-15-6-10-18(11-7-15)27-28(2,24)25/h4-11,19,21H,3,12-14H2,1-2H3,(H,22,23)/t19-/m0/s1
SMILES: CCO[C@H](Cc1ccc(NC/C=C/c2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
SELFIES: [C][C][O][C@H1][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][/C][=C][/C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C21H25NO6S/c1-3-27-20(21(23)24)15-17-6-10-18(11-7-17)22-14-4-5-16-8-12-19(13-9-16)28-29(2,25)26/h4-13,20,22H,3,14-15H2,1-2H3,(H,23,24)/b5-4+/t20-/m1/s1
SMILES: CCOC(=O)C(Cc1ccc(NC(=O)Cc2ccc(OS(C)(=O)=O)cc2)cc1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring2][#Branch1][C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C][C]
InChI: InChI=1S/C22H27NO7S/c1-4-28-20(22(25)29-5-2)14-16-6-10-18(11-7-16)23-21(24)15-17-8-12-19(13-9-17)30-31(3,26)27/h6-13,20H,4-5,14-15H2,1-3H3,(H,23,24)
SMILES: CCOC(Cc1ccc(NC/C=C/c2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
SELFIES: [C][C][O][C][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][/C][=C][/C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C21H25NO6S/c1-3-27-20(21(23)24)15-17-6-10-18(11-7-17)22-14-4-5-16-8-12-19(13-9-16)28-29(2,25)26/h4-13,20,22H,3,14-15H2,1-2H3,(H,23,24)/b5-4+
SMILES: CCOC(Cc1ccc(NC(=O)Cc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
SELFIES: [C][C][O][C][Branch2][Ring2][#Branch1][C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C20H23NO7S/c1-3-27-18(20(23)24)12-14-4-8-16(9-5-14)21-19(22)13-15-6-10-17(11-7-15)28-29(2,25)26/h4-11,18H,3,12-13H2,1-2H3,(H,21,22)(H,23,24)
SMILES: CCOC(=O)C(Cc1ccc(NCCCc2ccc(N(C(=O)OC(C)(C)C)S(C)(=O)=O)cc2)cc1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch2][Branch1][=Branch1][C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][N][O][C][C]
InChI: InChI=1S/C28H40N2O7S/c1-7-35-25(26(31)36-8-2)20-22-11-15-23(16-12-22)29-19-9-10-21-13-17-24(18-14-21)30(38(6,33)34)27(32)37-28(3,4)5/h11-18,25,29H,7-10,19-20H2,1-6H3
SMILES: CCOC(Cc1ccc(NCCCc2ccc(N(C(=O)OC(C)(C)C)S(C)(=O)=O)cc2)cc1)C(=O)O
SELFIES: [C][C][O][C][Branch2][Branch1][=Branch1][C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][N][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H36N2O7S/c1-6-34-23(24(29)30)18-20-9-13-21(14-10-20)27-17-7-8-19-11-15-22(16-12-19)28(36(5,32)33)25(31)35-26(2,3)4/h9-16,23,27H,6-8,17-18H2,1-5H3,(H,29,30)
SMILES: CCOC(=O)C(Cc1ccc(NC(=O)/C=C/c2ccc(OS(C)(=O)=O)cc2)cc1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring2][Branch2][C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C][C]
InChI: InChI=1S/C23H27NO7S/c1-4-29-21(23(26)30-5-2)16-18-6-11-19(12-7-18)24-22(25)15-10-17-8-13-20(14-9-17)31-32(3,27)28/h6-15,21H,4-5,16H2,1-3H3,(H,24,25)/b15-10+
SMILES: CCOC(Cc1ccc(NC(=O)/C=C/c2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
SELFIES: [C][C][O][C][Branch2][Ring2][Branch2][C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C21H23NO7S/c1-3-28-19(21(24)25)14-16-4-9-17(10-5-16)22-20(23)13-8-15-6-11-18(12-7-15)29-30(2,26)27/h4-13,19H,3,14H2,1-2H3,(H,22,23)(H,24,25)/b13-8+
SMILES: CCOC(=O)C(Cc1ccc(NC(=O)CCc2ccc(OS(C)(=O)=O)cc2)cc1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring2][Branch2][C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C][C]
InChI: InChI=1S/C23H29NO7S/c1-4-29-21(23(26)30-5-2)16-18-6-11-19(12-7-18)24-22(25)15-10-17-8-13-20(14-9-17)31-32(3,27)28/h6-9,11-14,21H,4-5,10,15-16H2,1-3H3,(H,24,25)
SMILES: CCOC(Cc1ccc(NC(=O)CCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
SELFIES: [C][C][O][C][Branch2][Ring2][Branch2][C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C21H25NO7S/c1-3-28-19(21(24)25)14-16-4-9-17(10-5-16)22-20(23)13-8-15-6-11-18(12-7-15)29-30(2,26)27/h4-7,9-12,19H,3,8,13-14H2,1-2H3,(H,22,23)(H,24,25)
SMILES: CCOC(=O)[C@H](Cc1ccc(NC/C=C/c2ccc(OS(C)(=O)=O)cc2)cc1)OC
SELFIES: [C][C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][/C][=C][/C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C]
InChI: InChI=1S/C22H27NO6S/c1-4-28-22(24)21(27-2)16-18-7-11-19(12-8-18)23-15-5-6-17-9-13-20(14-10-17)29-30(3,25)26/h5-14,21,23H,4,15-16H2,1-3H3/b6-5+/t21-/m0/s1
SMILES: CO[C@@H](Cc1ccc(NC/C=C/c2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
SELFIES: [C][O][C@@H1][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][/C][=C][/C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C20H23NO6S/c1-26-19(20(22)23)14-16-5-9-17(10-6-16)21-13-3-4-15-7-11-18(12-8-15)27-28(2,24)25/h3-12,19,21H,13-14H2,1-2H3,(H,22,23)/b4-3+/t19-/m0/s1
SMILES: CCOC(=O)[C@H](Cc1ccc(NCCCc2cccc(CS(C)(=O)=O)c2)cc1)OC
SELFIES: [C][C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][C][=C][C][=C][C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C]
InChI: InChI=1S/C23H31NO5S/c1-4-29-23(25)22(28-2)16-19-10-12-21(13-11-19)24-14-6-9-18-7-5-8-20(15-18)17-30(3,26)27/h5,7-8,10-13,15,22,24H,4,6,9,14,16-17H2,1-3H3/t22-/m0/s1
SMILES: CO[C@@H](Cc1ccc(NCCCc2cccc(OS(C)(=O)=O)c2)cc1)C(=O)O
SELFIES: [C][O][C@@H1][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][C][=C][C][=C][C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C20H25NO6S/c1-26-19(20(22)23)14-16-8-10-17(11-9-16)21-12-4-6-15-5-3-7-18(13-15)27-28(2,24)25/h3,5,7-11,13,19,21H,4,6,12,14H2,1-2H3,(H,22,23)/t19-/m0/s1
SMILES: CCOC(=O)[C@H](Cc1ccc(N(C/C=C/c2ccc(OS(C)(=O)=O)cc2)C(=O)c2ccccc2)cc1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C@H1][Branch2][Branch1][Ring2][C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][Branch2][Ring1][#Branch1][C][/C][=C][/C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][O][C][C]
InChI: InChI=1S/C30H33NO7S/c1-4-36-28(30(33)37-5-2)22-24-13-17-26(18-14-24)31(29(32)25-11-7-6-8-12-25)21-9-10-23-15-19-27(20-16-23)38-39(3,34)35/h6-20,28H,4-5,21-22H2,1-3H3/b10-9+/t28-/m0/s1
SMILES: CCO[C@@H](Cc1ccc(N(C/C=C/c2ccc(OS(C)(=O)=O)cc2)C(=O)c2ccccc2)cc1)C(=O)O
SELFIES: [C][C][O][C@@H1][Branch2][Branch1][Ring2][C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][Branch2][Ring1][#Branch1][C][/C][=C][/C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][O]
InChI: InChI=1S/C28H29NO7S/c1-3-35-26(28(31)32)20-22-11-15-24(16-12-22)29(27(30)23-9-5-4-6-10-23)19-7-8-21-13-17-25(18-14-21)36-37(2,33)34/h4-18,26H,3,19-20H2,1-2H3,(H,31,32)/b8-7+/t26-/m0/s1
SMILES: COC(=O)[C@H](Cc1ccc(N(C/C=C/c2ccc(OS(C)(=O)=O)cc2)C(=O)c2ccccc2)cc1)OC
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Branch1][Ring2][C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][Branch2][Ring1][#Branch1][C][/C][=C][/C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][O][C]
InChI: InChI=1S/C28H29NO7S/c1-34-26(28(31)35-2)20-22-11-15-24(16-12-22)29(27(30)23-9-5-4-6-10-23)19-7-8-21-13-17-25(18-14-21)36-37(3,32)33/h4-18,26H,19-20H2,1-3H3/b8-7+/t26-/m0/s1
SMILES: CO[C@@H](Cc1ccc(N(C/C=C/c2ccc(OS(C)(=O)=O)cc2)C(=O)c2ccccc2)cc1)C(=O)O
SELFIES: [C][O][C@@H1][Branch2][Branch1][Ring2][C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][Branch2][Ring1][#Branch1][C][/C][=C][/C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H27NO7S/c1-34-25(27(30)31)19-21-10-14-23(15-11-21)28(26(29)22-8-4-3-5-9-22)18-6-7-20-12-16-24(17-13-20)35-36(2,32)33/h3-17,25H,18-19H2,1-2H3,(H,30,31)/b7-6+/t25-/m0/s1
SMILES: CCCC1(C(O)C/C=C/CN(CCCCCCC(=O)O)S(C)(=O)=O)CCC1
SELFIES: [C][C][C][C][Branch2][Ring1][#C][C][Branch1][C][O][C][/C][=C][/C][N][Branch1][N][C][C][C][C][C][C][C][=Branch1][C][=O][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C20H37NO5S/c1-3-13-20(14-10-15-20)18(22)11-7-9-17-21(27(2,25)26)16-8-5-4-6-12-19(23)24/h7,9,18,22H,3-6,8,10-17H2,1-2H3,(H,23,24)/b9-7+
SMILES: Cc1ccc(C2C(=O)Oc3c(CC(C)C)cc(C(C)(C)C)cc32)cc1C
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][O][C][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C]
InChI: InChI=1S/C24H30O2/c1-14(2)10-18-12-19(24(5,6)7)13-20-21(23(25)26-22(18)20)17-9-8-15(3)16(4)11-17/h8-9,11-14,21H,10H2,1-7H3
SMILES: CCCCC1(CC)COP(Oc2c(C(C)(C)C)cc(CC(C)C)cc2C(C)(C)C)OC1
SELFIES: [C][C][C][C][C][Branch1][Ring1][C][C][C][O][P][Branch2][Ring2][Ring2][O][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][C][Branch1][C][C][Branch1][C][C][C][O][C][Ring2][Ring1][O]
InChI: InChI=1S/C27H47O3P/c1-11-13-14-27(12-2)18-28-31(29-19-27)30-24-22(25(5,6)7)16-21(15-20(3)4)17-23(24)26(8,9)10/h16-17,20H,11-15,18-19H2,1-10H3
SMILES: FC(F)(F)c1ccc(Nc2cc(Cl)ncn2)cc1
SELFIES: [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][=N][N][C][=C][C][Branch1][C][Cl][=N][C][=N][Ring1][#Branch1][C][=C][Ring1][=C]
InChI: InChI=1S/C11H7ClF3N3/c12-9-5-10(17-6-16-9)18-8-3-1-7(2-4-8)11(13,14)15/h1-6H,(H,16,17,18)
SMILES: FC(F)(F)c1ccc(Nc2cc(-c3cccc4cccnc34)ncn2)cc1
SELFIES: [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=N][C][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C20H13F3N4/c21-20(22,23)14-6-8-15(9-7-14)27-18-11-17(25-12-26-18)16-5-1-3-13-4-2-10-24-19(13)16/h1-12H,(H,25,26,27)
SMILES: FC(F)(F)c1ccc(Nc2cc(-c3ccc4ncccc4c3)ncn2)cc1
SELFIES: [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C20H13F3N4/c21-20(22,23)15-4-6-16(7-5-15)27-19-11-18(25-12-26-19)14-3-8-17-13(10-14)2-1-9-24-17/h1-12H,(H,25,26,27)
SMILES: FC(F)(F)c1ccc(Nc2cc(-c3ccc4[nH]ccc4c3)ncn2)cc1
SELFIES: [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=C][C][Branch1][=C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][C][=N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C19H13F3N4/c20-19(21,22)14-2-4-15(5-3-14)26-18-10-17(24-11-25-18)12-1-6-16-13(9-12)7-8-23-16/h1-11,23H,(H,24,25,26)
SMILES: FC(F)(F)c1ccc(Nc2cc(-c3cccc4ncccc34)ncn2)cc1
SELFIES: [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][C][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C20H13F3N4/c21-20(22,23)13-6-8-14(9-7-13)27-19-11-18(25-12-26-19)16-3-1-5-17-15(16)4-2-10-24-17/h1-12H,(H,25,26,27)
SMILES: FC(F)(F)c1ccc(Nc2cc(-c3ccc4c(c3)OCCCO4)ncn2)cc1
SELFIES: [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][=C][N][C][=C][C][Branch2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][=N][C][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C20H16F3N3O2/c21-20(22,23)14-3-5-15(6-4-14)26-19-11-16(24-12-25-19)13-2-7-17-18(10-13)28-9-1-8-27-17/h2-7,10-12H,1,8-9H2,(H,24,25,26)