EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CCCN(C)C)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch1][C][C][C][=C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][S][Ring2][Ring1][O]
InChI: InChI=1S/C24H36N6O4S/c1-7-11-21-25-19(8-2)22-24(31)26-23(27-30(21)22)18-16-17(12-13-20(18)34-9-3)35(32,33)29(6)15-10-14-28(4)5/h12-13,16H,7-11,14-15H2,1-6H3,(H,26,27,31)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCN4CCCC4)C(C)C)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=Branch2][C][=C][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][O][C][C][C][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][#C]
InChI: InChI=1S/C28H42N6O4S/c1-6-12-25-29-23(7-2)26-28(35)30-27(31-34(25)26)22-19-21(13-14-24(22)38-8-3)39(36,37)33(20(4)5)18-11-17-32-15-9-10-16-32/h13-14,19-20H,6-12,15-18H2,1-5H3,(H,30,31,35)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCN(C)C)C(C)C)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][#Branch1][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C26H40N6O4S/c1-8-12-23-27-21(9-2)24-26(33)28-25(29-32(23)24)20-17-19(13-14-22(20)36-10-3)37(34,35)31(18(4)5)16-11-15-30(6)7/h13-14,17-18H,8-12,15-16H2,1-7H3,(H,28,29,33)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCN(C)C)C4CCCCC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][#Branch2][C][=C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][S]
InChI: InChI=1S/C29H44N6O4S/c1-6-13-26-30-24(7-2)27-29(36)31-28(32-35(26)27)23-20-22(16-17-25(23)39-8-3)40(37,38)34(19-12-18-33(4)5)21-14-10-9-11-15-21/h16-17,20-21H,6-15,18-19H2,1-5H3,(H,31,32,36)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CC(O)CN(C)c4ccccc4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=N][C][=C][C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][O][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][=Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C29H38N6O5S/c1-6-12-26-30-24(7-2)27-29(37)31-28(32-35(26)27)23-17-22(15-16-25(23)40-8-3)41(38,39)34(5)19-21(36)18-33(4)20-13-10-9-11-14-20/h9-11,13-17,21,36H,6-8,12,18-19H2,1-5H3,(H,31,32,37)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CC(O)CN(CC)CC)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Branch2][C][=C][C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][O][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][=N][N][Ring2][Ring2][Ring1][Ring2][Ring1][=C]
InChI: InChI=1S/C26H40N6O5S/c1-7-12-23-27-21(8-2)24-26(34)28-25(29-32(23)24)20-15-19(13-14-22(20)37-11-5)38(35,36)30(6)16-18(33)17-31(9-3)10-4/h13-15,18,33H,7-12,16-17H2,1-6H3,(H,28,29,34)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCN(CC)CC)Cc4ccccc4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][N][C][=C][C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][N][Branch1][Ring1][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Branch2][O][C][C][=N][N][Ring2][Ring2][#Branch1][Ring2][Ring2][C]
InChI: InChI=1S/C31H42N6O4S/c1-6-14-28-32-26(7-2)29-31(38)33-30(34-37(28)29)25-21-24(17-18-27(25)41-10-5)42(39,40)36(20-19-35(8-3)9-4)22-23-15-12-11-13-16-23/h11-13,15-18,21H,6-10,14,19-20,22H2,1-5H3,(H,33,34,38)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCC)CC(O)CN4CCOCC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][O][C][=C][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][Branch1][C][O][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][=Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C28H42N6O6S/c1-5-9-25-29-23(7-3)26-28(36)30-27(31-34(25)26)22-17-21(10-11-24(22)40-8-4)41(37,38)33(12-6-2)19-20(35)18-32-13-15-39-16-14-32/h10-11,17,20,35H,5-9,12-16,18-19H2,1-4H3,(H,30,31,36)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C(C)C)CC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=Branch1][C][=C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][N]
InChI: InChI=1S/C25H36N6O4S/c1-6-9-22-26-20(7-2)23-25(32)27-24(28-31(22)23)19-16-18(10-11-21(19)35-8-3)36(33,34)30-14-12-29(13-15-30)17(4)5/h10-11,16-17H,6-9,12-15H2,1-5H3,(H,27,28,32)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C5CCCC5)CC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Branch2][C][=C][C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][=N][N][Ring2][Ring2][Ring1][Ring2][Ring1][=C]
InChI: InChI=1S/C27H38N6O4S/c1-4-9-24-28-22(5-2)25-27(34)29-26(30-33(24)25)21-18-20(12-13-23(21)37-6-3)38(35,36)32-16-14-31(15-17-32)19-10-7-8-11-19/h12-13,18-19H,4-11,14-17H2,1-3H3,(H,29,30,34)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)N(C)c4ccccc4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][#Branch1][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C26H32N6O4S/c1-6-12-23-27-21(7-2)24-26(33)28-25(29-32(23)24)20-17-19(15-16-22(20)36-8-3)37(34,35)31(5)30(4)18-13-10-9-11-14-18/h9-11,13-17H,6-8,12H2,1-5H3,(H,28,29,33)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCO)CCCN(C)C)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Branch1][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][C][N][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C25H38N6O5S/c1-6-10-22-26-20(7-2)23-25(33)27-24(28-31(22)23)19-17-18(11-12-21(19)36-8-3)37(34,35)30(15-16-32)14-9-13-29(4)5/h11-12,17,32H,6-10,13-16H2,1-5H3,(H,27,28,33)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CC(O)CN(C)C)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=Branch1][C][=C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][O][C][N][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][N]
InChI: InChI=1S/C24H36N6O5S/c1-7-10-21-25-19(8-2)22-24(32)26-23(27-30(21)22)18-13-17(11-12-20(18)35-9-3)36(33,34)29(6)15-16(31)14-28(4)5/h11-13,16,31H,7-10,14-15H2,1-6H3,(H,26,27,32)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)N4CCCCC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][S][Ring2][Ring1][O]
InChI: InChI=1S/C24H34N6O4S/c1-5-11-21-25-19(6-2)22-24(31)26-23(27-30(21)22)18-16-17(12-13-20(18)34-7-3)35(32,33)28(4)29-14-9-8-10-15-29/h12-13,16H,5-11,14-15H2,1-4H3,(H,26,27,31)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(N5CCCC5)CC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Branch2][C][=C][C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][=N][N][Ring2][Ring2][Ring1][Ring2][Ring1][=C]
InChI: InChI=1S/C27H38N6O4S/c1-4-9-24-28-22(5-2)25-27(34)29-26(30-33(24)25)21-18-20(10-11-23(21)37-6-3)38(35,36)32-16-12-19(13-17-32)31-14-7-8-15-31/h10-11,18-19H,4-9,12-17H2,1-3H3,(H,29,30,34)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(c5ccc(OC)cc5)CC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=N][C][=C][C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][=C][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][=Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C29H36N6O5S/c1-5-8-26-30-24(6-2)27-29(36)31-28(32-35(26)27)23-19-22(13-14-25(23)40-7-3)41(37,38)34-17-15-33(16-18-34)20-9-11-21(39-4)12-10-20/h9-14,19H,5-8,15-18H2,1-4H3,(H,31,32,36)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CC)CCN(C)C)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][N][Branch1][C][C][C][=C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][S][Ring2][Ring1][O]
InChI: InChI=1S/C24H36N6O4S/c1-7-11-21-25-19(8-2)22-24(31)26-23(27-30(21)22)18-16-17(12-13-20(18)34-10-4)35(32,33)29(9-3)15-14-28(5)6/h12-13,16H,7-11,14-15H2,1-6H3,(H,26,27,31)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(c5ccccn5)CC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=Branch2][C][=C][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][#C]
InChI: InChI=1S/C27H33N7O4S/c1-4-9-24-29-21(5-2)25-27(35)30-26(31-34(24)25)20-18-19(11-12-22(20)38-6-3)39(36,37)33-16-14-32(15-17-33)23-10-7-8-13-28-23/h7-8,10-13,18H,4-6,9,14-17H2,1-3H3,(H,30,31,35)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CCN(CC)CC)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Ring2][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][N]
InChI: InChI=1S/C25H38N6O4S/c1-7-12-22-26-20(8-2)23-25(32)27-24(28-31(22)23)19-17-18(13-14-21(19)35-11-5)36(33,34)29(6)15-16-30(9-3)10-4/h13-14,17H,7-12,15-16H2,1-6H3,(H,27,28,32)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCCN(C)CC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][C][Ring1][Branch2][=C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][S][Ring2][Ring1][O]
InChI: InChI=1S/C24H34N6O4S/c1-5-9-21-25-19(6-2)22-24(31)26-23(27-30(21)22)18-16-17(10-11-20(18)34-7-3)35(32,33)29-13-8-12-28(4)14-15-29/h10-11,16H,5-9,12-15H2,1-4H3,(H,26,27,31)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCN(CC)CC)c4ccccc4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][O][C][=C][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][=Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C30H40N6O4S/c1-6-14-27-31-25(7-2)28-30(37)32-29(33-36(27)28)24-21-23(17-18-26(24)40-10-5)41(38,39)35(20-19-34(8-3)9-4)22-15-12-11-13-16-22/h11-13,15-18,21H,6-10,14,19-20H2,1-5H3,(H,32,33,37)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCOCC)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][N][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][O][C][C][=C][C][=C][Ring1][S][O][C][C][=N][N][Ring2][Ring1][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C22H31N5O5S/c1-5-9-19-24-15(4)20-22(28)25-21(26-27(19)20)17-14-16(10-11-18(17)32-7-3)33(29,30)23-12-8-13-31-6-2/h10-11,14,23H,5-9,12-13H2,1-4H3,(H,25,26,28)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCc4ccccc4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Ring1][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C26H31N5O4S/c1-4-10-23-28-18(3)24-26(32)29-25(30-31(23)24)21-17-20(14-15-22(21)35-5-2)36(33,34)27-16-9-13-19-11-7-6-8-12-19/h6-8,11-12,14-15,17,27H,4-5,9-10,13,16H2,1-3H3,(H,29,30,32)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OCC)cc4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Branch1][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C25H29N5O5S/c1-5-8-22-26-16(4)23-25(31)27-24(28-30(22)23)20-15-19(13-14-21(20)35-7-3)36(32,33)29-17-9-11-18(12-10-17)34-6-2/h9-15,29H,5-8H2,1-4H3,(H,27,28,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCc4c(Cl)cccc4Cl)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=Branch1][C][=C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H27Cl2N5O4S/c1-4-7-22-29-15(3)23-25(33)30-24(31-32(22)23)18-14-16(10-11-21(18)36-5-2)37(34,35)28-13-12-17-19(26)8-6-9-20(17)27/h6,8-11,14,28H,4-5,7,12-13H2,1-3H3,(H,30,31,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCc4ccc(OC)c(OC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][#Branch2][C][=C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][S]
InChI: InChI=1S/C27H33N5O6S/c1-6-8-24-29-17(3)25-27(33)30-26(31-32(24)25)20-16-19(10-12-21(20)38-7-2)39(34,35)28-14-13-18-9-11-22(36-4)23(15-18)37-5/h9-12,15-16,28H,6-8,13-14H2,1-5H3,(H,30,31,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Ring2][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][S][Ring2][Ring1][N]
InChI: InChI=1S/C24H27N5O5S/c1-5-7-21-25-15(3)22-24(30)26-23(27-29(21)22)19-14-18(12-13-20(19)34-6-2)35(31,32)28-16-8-10-17(33-4)11-9-16/h8-14,28H,5-7H2,1-4H3,(H,26,27,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)c(OC5CCCC5)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=C][C][=C][C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][=C][Ring1][=C][=C][C][=C][Ring2][Ring1][Branch2][O][C][C][=N][N][Ring2][Ring2][=Branch1][Ring2][Ring2][C]
InChI: InChI=1S/C29H35N5O6S/c1-5-9-26-30-18(3)27-29(35)31-28(32-34(26)27)22-17-21(13-15-23(22)39-6-2)41(36,37)33-19-12-14-24(38-4)25(16-19)40-20-10-7-8-11-20/h12-17,20,33H,5-11H2,1-4H3,(H,31,32,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)c(OC)c4OC)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][#Branch2][C][=C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][=C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][S]
InChI: InChI=1S/C26H31N5O7S/c1-7-9-21-27-15(3)22-26(32)28-25(29-31(21)22)17-14-16(10-12-19(17)38-8-2)39(33,34)30-18-11-13-20(35-4)24(37-6)23(18)36-5/h10-14,30H,7-9H2,1-6H3,(H,28,29,32)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(C(=O)OCC)cc4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=Branch2][C][=C][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][Ring1][O][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=N][N][Ring2][Ring2][Ring1][Ring2][Ring1][#C]
InChI: InChI=1S/C26H29N5O6S/c1-5-8-22-27-16(4)23-25(32)28-24(29-31(22)23)20-15-19(13-14-21(20)36-6-2)38(34,35)30-18-11-9-17(10-12-18)26(33)37-7-3/h9-15,30H,5-8H2,1-4H3,(H,28,29,32)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)c(F)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][#Branch1][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C24H26FN5O5S/c1-5-7-21-26-14(3)22-24(31)27-23(28-30(21)22)17-13-16(9-11-19(17)35-6-2)36(32,33)29-15-8-10-20(34-4)18(25)12-15/h8-13,29H,5-7H2,1-4H3,(H,27,28,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4cc(C)no4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][P][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][=C][C][=C][Ring1][S][O][C][C][=N][N][Ring2][Ring1][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C21H24N6O5S/c1-5-7-17-22-13(4)19-21(28)23-20(24-27(17)19)15-11-14(8-9-16(15)31-6-2)33(29,30)26-18-10-12(3)25-32-18/h8-11,26H,5-7H2,1-4H3,(H,23,24,28)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CCCC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][=N][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][#C][O][C][C][=N][N][Ring2][Ring1][=N][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C22H29N5O4S/c1-4-8-19-23-14(3)20-22(28)24-21(25-27(19)20)17-13-16(11-12-18(17)31-5-2)32(29,30)26-15-9-6-7-10-15/h11-13,15,26H,4-10H2,1-3H3,(H,24,25,28)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC(F)(F)F)cc4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][O][C][=C][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=N][N][Ring2][Ring2][Ring1][Ring2][Ring1][#C]
InChI: InChI=1S/C24H24F3N5O5S/c1-4-6-20-28-14(3)21-23(33)29-22(30-32(20)21)18-13-17(11-12-19(18)36-5-2)38(34,35)31-15-7-9-16(10-8-15)37-24(25,26)27/h7-13,31H,4-6H2,1-3H3,(H,29,30,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCc4ccc(S(N)(=O)=O)cc4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][N][C][=C][C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][S]
InChI: InChI=1S/C25H30N6O6S2/c1-4-6-22-28-16(3)23-25(32)29-24(30-31(22)23)20-15-19(11-12-21(20)37-5-2)39(35,36)27-14-13-17-7-9-18(10-8-17)38(26,33)34/h7-12,15,27H,4-6,13-14H2,1-3H3,(H2,26,33,34)(H,29,30,32)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCc4cccc(O)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Ring2][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][S][Ring2][Ring1][N]
InChI: InChI=1S/C24H27N5O5S/c1-4-7-21-26-15(3)22-24(31)27-23(28-29(21)22)19-13-18(10-11-20(19)34-5-2)35(32,33)25-14-16-8-6-9-17(30)12-16/h6,8-13,25,30H,4-5,7,14H2,1-3H3,(H,27,28,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCCCC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][=N][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][O][C][C][=N][N][Ring2][Ring1][=N][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C22H29N5O4S/c1-4-9-19-23-15(3)20-22(28)24-21(25-27(19)20)17-14-16(10-11-18(17)31-5-2)32(29,30)26-12-7-6-8-13-26/h10-11,14H,4-9,12-13H2,1-3H3,(H,24,25,28)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][P][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][S][O][C][C][=N][N][Ring2][Ring1][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C23H31N5O4S/c1-5-7-20-24-16(4)21-23(29)25-22(26-28(20)21)18-14-17(8-9-19(18)32-6-2)33(30,31)27-12-10-15(3)11-13-27/h8-9,14-15H,5-7,10-13H2,1-4H3,(H,25,26,29)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CC(C)C)CC(C)C)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=Branch1][C][=C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][S][Ring2][Ring1][N]
InChI: InChI=1S/C25H37N5O4S/c1-8-10-22-26-18(7)23-25(31)27-24(28-30(22)23)20-13-19(11-12-21(20)34-9-2)35(32,33)29(14-16(3)4)15-17(5)6/h11-13,16-17H,8-10,14-15H2,1-7H3,(H,27,28,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(C(=O)OCC)C4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][#Branch1][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C24H31N5O6S/c1-5-8-20-25-15(4)21-23(30)26-22(27-29(20)21)18-13-17(9-10-19(18)34-6-2)36(32,33)28-12-11-16(14-28)24(31)35-7-3/h9-10,13,16H,5-8,11-12,14H2,1-4H3,(H,26,27,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCc4ccccc4OC)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Ring1][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C25H29N5O5S/c1-5-9-22-27-16(3)23-25(31)28-24(29-30(22)23)19-14-18(12-13-21(19)35-6-2)36(32,33)26-15-17-10-7-8-11-20(17)34-4/h7-8,10-14,26H,5-6,9,15H2,1-4H3,(H,28,29,31)