EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)c2ccc(C)cc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H25N3O3S/c1-18-8-14-22(15-9-18)32(29,30)26-17-16-23-24(19-10-12-21(31-2)13-11-19)28-25(27-23)20-6-4-3-5-7-20/h3-15,26H,16-17H2,1-2H3,(H,27,28)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(Cl)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C28H30ClN3O2S/c1-2-3-5-8-21-11-17-25(18-12-21)35(33,34)30-20-19-26-27(22-13-15-24(29)16-14-22)32-28(31-26)23-9-6-4-7-10-23/h4,6-7,9-18,30H,2-3,5,8,19-20H2,1H3,(H,31,32)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3cccnc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C28H32N4O3S/c1-3-4-5-7-21-9-15-25(16-10-21)36(33,34)30-19-17-26-27(22-11-13-24(35-2)14-12-22)32-28(31-26)23-8-6-18-29-20-23/h6,8-16,18,20,30H,3-5,7,17,19H2,1-2H3,(H,31,32)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccncc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C28H32N4O3S/c1-3-4-5-6-21-7-13-25(14-8-21)36(33,34)30-20-17-26-27(22-9-11-24(35-2)12-10-22)32-28(31-26)23-15-18-29-19-16-23/h7-16,18-19,30H,3-6,17,20H2,1-2H3,(H,31,32)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3cnccn3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C27H31N5O3S/c1-3-4-5-6-20-7-13-23(14-8-20)36(33,34)30-16-15-24-26(21-9-11-22(35-2)12-10-21)32-27(31-24)25-19-28-17-18-29-25/h7-14,17-19,30H,3-6,15-16H2,1-2H3,(H,31,32)
SMILES: Cc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(Cl)cc2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C24H22ClN3O2S/c1-17-7-13-21(14-8-17)31(29,30)26-16-15-22-23(18-9-11-20(25)12-10-18)28-24(27-22)19-5-3-2-4-6-19/h2-14,26H,15-16H2,1H3,(H,27,28)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][NH1][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C23H29N3O3S/c1-3-4-5-6-18-7-13-21(14-8-18)30(27,28)26-16-15-22-23(25-17-24-22)19-9-11-20(29-2)12-10-19/h7-14,17,26H,3-6,15-16H2,1-2H3,(H,24,25)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3cccs3)[nH]c2-c2ccc(Cl)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][NH1][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C26H28ClN3O2S2/c1-2-3-4-6-19-8-14-22(15-9-19)34(31,32)28-17-16-23-25(20-10-12-21(27)13-11-20)30-26(29-23)24-7-5-18-33-24/h5,7-15,18,28H,2-4,6,16-17H2,1H3,(H,29,30)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C28H31N3O2S/c1-2-3-6-11-22-16-18-25(19-17-22)34(32,33)29-21-20-26-27(23-12-7-4-8-13-23)31-28(30-26)24-14-9-5-10-15-24/h4-5,7-10,12-19,29H,2-3,6,11,20-21H2,1H3,(H,30,31)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3cccs3)[nH]c2-c2ccc(F)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][NH1][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C26H28FN3O2S2/c1-2-3-4-6-19-8-14-22(15-9-19)34(31,32)28-17-16-23-25(20-10-12-21(27)13-11-20)30-26(29-23)24-7-5-18-33-24/h5,7-15,18,28H,2-4,6,16-17H2,1H3,(H,29,30)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(C(C)(C)C)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][NH1][C][=Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C27H37N3O3S/c1-6-7-8-9-20-10-16-23(17-11-20)34(31,32)28-19-18-24-25(30-26(29-24)27(2,3)4)21-12-14-22(33-5)15-13-21/h10-17,28H,6-9,18-19H2,1-5H3,(H,29,30)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(C3CC3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][C][=Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][N]
InChI: InChI=1S/C26H33N3O3S/c1-3-4-5-6-19-7-15-23(16-8-19)33(30,31)27-18-17-24-25(29-26(28-24)21-9-10-21)20-11-13-22(32-2)14-12-20/h7-8,11-16,21,27H,3-6,9-10,17-18H2,1-2H3,(H,28,29)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2cccc(OC)c2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C29H33N3O3S/c1-3-4-6-10-22-15-17-26(18-16-22)36(33,34)30-20-19-27-28(24-13-9-14-25(21-24)35-2)32-29(31-27)23-11-7-5-8-12-23/h5,7-9,11-18,21,30H,3-4,6,10,19-20H2,1-2H3,(H,31,32)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2cc3ccccc3o2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C30H31N3O3S/c1-2-3-5-10-22-15-17-25(18-16-22)37(34,35)31-20-19-26-29(28-21-24-13-8-9-14-27(24)36-28)33-30(32-26)23-11-6-4-7-12-23/h4,6-9,11-18,21,31H,2-3,5,10,19-20H2,1H3,(H,32,33)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3Br)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][NH1][C][=Ring1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C29H32BrN3O3S/c1-3-4-5-8-21-11-17-24(18-12-21)37(34,35)31-20-19-27-28(22-13-15-23(36-2)16-14-22)33-29(32-27)25-9-6-7-10-26(25)30/h6-7,9-18,31H,3-5,8,19-20H2,1-2H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][N][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][P]
InChI: InChI=1S/C26H26N4O4S/c1-18(31)28-21-10-14-23(15-11-21)35(32,33)27-17-16-24-25(19-8-12-22(34-2)13-9-19)30-26(29-24)20-6-4-3-5-7-20/h3-15,27H,16-17H2,1-2H3,(H,28,31)(H,29,30)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C24H22ClN3O3S/c1-31-20-11-7-17(8-12-20)23-22(27-24(28-23)18-5-3-2-4-6-18)15-16-26-32(29,30)21-13-9-19(25)10-14-21/h2-14,26H,15-16H2,1H3,(H,27,28)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)c2ccccc2Cl)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C24H22ClN3O3S/c1-31-19-13-11-17(12-14-19)23-21(27-24(28-23)18-7-3-2-4-8-18)15-16-26-32(29,30)22-10-6-5-9-20(22)25/h2-14,26H,15-16H2,1H3,(H,27,28)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)c2cccc(Cl)c2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C24H22ClN3O3S/c1-31-20-12-10-17(11-13-20)23-22(27-24(28-23)18-6-3-2-4-7-18)14-15-26-32(29,30)21-9-5-8-19(25)16-21/h2-13,16,26H,14-15H2,1H3,(H,27,28)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C24H21Cl2N3O3S/c1-32-18-9-7-16(8-10-18)23-22(28-24(29-23)17-5-3-2-4-6-17)13-14-27-33(30,31)19-11-12-20(25)21(26)15-19/h2-12,15,27H,13-14H2,1H3,(H,28,29)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(C(F)(F)F)nc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][P]
InChI: InChI=1S/C28H29F3N4O2S/c1-2-3-5-8-20-11-14-23(15-12-20)38(36,37)33-18-17-24-26(22-13-16-25(32-19-22)28(29,30)31)35-27(34-24)21-9-6-4-7-10-21/h4,6-7,9-16,19,33H,2-3,5,8,17-18H2,1H3,(H,34,35)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3cccs3)[nH]c2-c2ccc(C(F)(F)F)nc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][NH1][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C26H27F3N4O2S2/c1-2-3-4-6-18-8-11-20(12-9-18)37(34,35)31-15-14-21-24(33-25(32-21)22-7-5-16-36-22)19-10-13-23(30-17-19)26(27,28)29/h5,7-13,16-17,31H,2-4,6,14-15H2,1H3,(H,32,33)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(C)nc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C28H32N4O2S/c1-3-4-6-9-22-13-16-25(17-14-22)35(33,34)30-19-18-26-27(24-15-12-21(2)29-20-24)32-28(31-26)23-10-7-5-8-11-23/h5,7-8,10-17,20,30H,3-4,6,9,18-19H2,1-2H3,(H,31,32)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(S(C)(=O)=O)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][P]
InChI: InChI=1S/C29H33N3O4S2/c1-3-4-6-9-22-12-16-26(17-13-22)38(35,36)30-21-20-27-28(23-14-18-25(19-15-23)37(2,33)34)32-29(31-27)24-10-7-5-8-11-24/h5,7-8,10-19,30H,3-4,6,9,20-21H2,1-2H3,(H,31,32)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(S(C)=O)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][=Branch1][S][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C29H33N3O3S2/c1-3-4-6-9-22-12-18-26(19-13-22)37(34,35)30-21-20-27-28(23-14-16-25(17-15-23)36(2)33)32-29(31-27)24-10-7-5-8-11-24/h5,7-8,10-19,30H,3-4,6,9,20-21H2,1-2H3,(H,31,32)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3cccs3)[nH]c2-c2cccc(OC)c2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][NH1][C][=Ring1][#Branch2][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C27H31N3O3S2/c1-3-4-5-8-20-12-14-23(15-13-20)35(31,32)28-17-16-24-26(21-9-6-10-22(19-21)33-2)30-27(29-24)25-11-7-18-34-25/h6-7,9-15,18-19,28H,3-5,8,16-17H2,1-2H3,(H,29,30)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3cccs3)[nH]c2-c2ccc(S(C)(=O)=O)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][NH1][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C27H31N3O4S3/c1-3-4-5-7-20-9-13-23(14-10-20)37(33,34)28-18-17-24-26(30-27(29-24)25-8-6-19-35-25)21-11-15-22(16-12-21)36(2,31)32/h6,8-16,19,28H,3-5,7,17-18H2,1-2H3,(H,29,30)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccsc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][NH1][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C27H31N3O3S2/c1-3-4-5-6-20-7-13-24(14-8-20)35(31,32)28-17-15-25-26(21-9-11-23(33-2)12-10-21)30-27(29-25)22-16-18-34-19-22/h7-14,16,18-19,28H,3-6,15,17H2,1-2H3,(H,29,30)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(C(F)(F)F)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][P]
InChI: InChI=1S/C29H30F3N3O2S/c1-2-3-5-8-21-11-17-25(18-12-21)38(36,37)33-20-19-26-27(22-13-15-24(16-14-22)29(30,31)32)35-28(34-26)23-9-6-4-7-10-23/h4,6-7,9-18,33H,2-3,5,8,19-20H2,1H3,(H,34,35)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)c2ccc(C=O)cc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C25H23N3O4S/c1-32-21-11-9-19(10-12-21)24-23(27-25(28-24)20-5-3-2-4-6-20)15-16-26-33(30,31)22-13-7-18(17-29)8-14-22/h2-14,17,26H,15-16H2,1H3,(H,27,28)
SMILES: CCCNCc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][N][C][C][=C][C][=C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C28H32N4O3S/c1-3-18-29-20-21-9-15-25(16-10-21)36(33,34)30-19-17-26-27(22-11-13-24(35-2)14-12-22)32-28(31-26)23-7-5-4-6-8-23/h4-16,29-30H,3,17-20H2,1-2H3,(H,31,32)
SMILES: CCCCCc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2c2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][C][C@@H1][Ring1][Ring1][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C30H33N3O3S/c1-3-4-6-9-21-12-18-25(19-13-21)37(34,35)33-27-20-26(27)29-28(22-14-16-24(36-2)17-15-22)31-30(32-29)23-10-7-5-8-11-23/h5,7-8,10-19,26-27,33H,3-4,6,9,20H2,1-2H3,(H,31,32)/t26-,27-/m0/s1
SMILES: CCCCCc1ccc(NC(=O)[C@H]2C[C@@H]2c2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Ring1][Ring1][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C31H33N3O2/c1-3-4-6-9-21-12-16-24(17-13-21)32-31(35)27-20-26(27)29-28(22-14-18-25(36-2)19-15-22)33-30(34-29)23-10-7-5-8-11-23/h5,7-8,10-19,26-27H,3-4,6,9,20H2,1-2H3,(H,32,35)(H,33,34)/t26-,27-/m0/s1
SMILES: COc1ccc(-c2[nH]c(NC(C)=O)nc2CCN=[N+]=[N-])cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][NH1][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][C][=Ring1][=Branch2][C][C][N][=N+1][=N-1][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C14H16N6O2/c1-9(21)17-14-18-12(7-8-16-20-15)13(19-14)10-3-5-11(22-2)6-4-10/h3-6H,7-8H2,1-2H3,(H2,17,18,19,21)
SMILES: COc1ccc(-c2[nH]c(NC(C)=O)nc2CCN)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][NH1][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][C][=Ring1][=Branch2][C][C][N][C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C14H18N4O2/c1-9(19)16-14-17-12(7-8-15)13(18-14)10-3-5-11(20-2)6-4-10/h3-6H,7-8,15H2,1-2H3,(H2,16,17,18,19)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(NC(C)=O)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][NH1][C][=Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C25H32N4O4S/c1-4-5-6-7-19-8-14-22(15-9-19)34(31,32)26-17-16-23-24(29-25(28-23)27-18(2)30)20-10-12-21(33-3)13-11-20/h8-15,26H,4-7,16-17H2,1-3H3,(H2,27,28,29,30)
SMILES: CCCCc1ccc(NC(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C29H32N4O2/c1-3-4-8-21-11-15-24(16-12-21)31-29(34)30-20-19-26-27(22-13-17-25(35-2)18-14-22)33-28(32-26)23-9-6-5-7-10-23/h5-7,9-18H,3-4,8,19-20H2,1-2H3,(H,32,33)(H2,30,31,34)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNC(=O)Oc2ccc(C)cc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C26H25N3O3/c1-18-8-12-22(13-9-18)32-26(30)27-17-16-23-24(19-10-14-21(31-2)15-11-19)29-25(28-23)20-6-4-3-5-7-20/h3-15H,16-17H2,1-2H3,(H,27,30)(H,28,29)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNC(=S)Nc2ccc(C)cc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C26H26N4OS/c1-18-8-12-21(13-9-18)28-26(32)27-17-16-23-24(19-10-14-22(31-2)15-11-19)30-25(29-23)20-6-4-3-5-7-20/h3-15H,16-17H2,1-2H3,(H,29,30)(H2,27,28,32)
SMILES: COc1ccc(C(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C20H19NO4/c1-25-15-11-9-14(10-12-15)18(22)8-4-5-13-21-19(23)16-6-2-3-7-17(16)20(21)24/h2-3,6-7,9-12H,4-5,8,13H2,1H3
SMILES: COc1ccc(C(=O)C(Br)CCCN2C(=O)c3ccccc3C2=O)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][C][Branch1][C][Br][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C20H18BrNO4/c1-26-14-10-8-13(9-11-14)18(23)17(21)7-4-12-22-19(24)15-5-2-3-6-16(15)20(22)25/h2-3,5-6,8-11,17H,4,7,12H2,1H3
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCCN2C(=O)c3ccccc3C2=O)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C27H23N3O3/c1-33-20-15-13-18(14-16-20)24-23(28-25(29-24)19-8-3-2-4-9-19)12-7-17-30-26(31)21-10-5-6-11-22(21)27(30)32/h2-6,8-11,13-16H,7,12,17H2,1H3,(H,28,29)
SMILES: COc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2CCCN2C(=O)c3ccccc3C2=O)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=Ring1][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C27H22ClN3O3/c1-34-20-14-10-17(11-15-20)24-23(29-25(30-24)18-8-12-19(28)13-9-18)7-4-16-31-26(32)21-5-2-3-6-22(21)27(31)33/h2-3,5-6,8-15H,4,7,16H2,1H3,(H,29,30)
SMILES: COc1ccc(-c2[nH]c(-c3ccc(C)cc3)nc2CCCN2C(=O)c3ccccc3C2=O)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=Ring1][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C28H25N3O3/c1-18-9-11-20(12-10-18)26-29-24(25(30-26)19-13-15-21(34-2)16-14-19)8-5-17-31-27(32)22-6-3-4-7-23(22)28(31)33/h3-4,6-7,9-16H,5,8,17H2,1-2H3,(H,29,30)
SMILES: COc1ccc(-c2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2CCCN2C(=O)c3ccccc3C2=O)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][=N][C][NH1][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=N][C][=Ring1][=C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring2][C]
InChI: InChI=1S/C27H22N4O5/c1-36-20-14-10-17(11-15-20)24-23(28-25(29-24)18-8-12-19(13-9-18)31(34)35)7-4-16-30-26(32)21-5-2-3-6-22(21)27(30)33/h2-3,5-6,8-15H,4,7,16H2,1H3,(H,28,29)
SMILES: COc1ccc(-c2[nH]c(-c3csc(C)n3)nc2CCCN2C(=O)c3ccccc3C2=O)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][NH1][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=N][C][=Ring1][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C25H22N4O3S/c1-15-26-21(14-33-15)23-27-20(22(28-23)16-9-11-17(32-2)12-10-16)8-5-13-29-24(30)18-6-3-4-7-19(18)25(29)31/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,27,28)
SMILES: O=C1c2ccccc2C(=O)N1CCCc1nc(-c2ccccc2)[nH]c1-c1ccccc1
SELFIES: [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C26H21N3O2/c30-25-20-14-7-8-15-21(20)26(31)29(25)17-9-16-22-23(18-10-3-1-4-11-18)28-24(27-22)19-12-5-2-6-13-19/h1-8,10-15H,9,16-17H2,(H,27,28)