EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)CN1CCN(C(=O)C(Cc2ccc3[nH]ncc3c2)NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
SELFIES: [C][C][Branch1][C][C][C][N][C][C][N][Branch2][Branch1][Branch1][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][S][C][C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C31H40N8O3/c1-21(2)20-36-13-15-37(16-14-36)29(40)27(18-22-7-8-25-23(17-22)19-32-35-25)34-30(41)38-11-9-24(10-12-38)39-28-6-4-3-5-26(28)33-31(39)42/h3-8,17,19,21,24,27H,9-16,18,20H2,1-2H3,(H,32,35)(H,33,42)(H,34,41)
SMILES: O=C(NC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCC2(CC1)OCCO2)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][#Branch1][N][C][Branch1][#C][C][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C31H37N7O5/c39-28(36-13-9-31(10-14-36)42-15-16-43-31)27(18-21-5-6-26-23(17-21)19-32-35-26)34-29(40)37-11-7-24(8-12-37)38-20-22-3-1-2-4-25(22)33-30(38)41/h1-6,17,19,24,27H,7-16,18,20H2,(H,32,35)(H,33,41)(H,34,40)
SMILES: Cc1cc(Br)cc(C)c1/N=N/SC(C)(C)C
SELFIES: [C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][C][=C][Ring1][Branch2][/N][=N][/S][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C12H17BrN2S/c1-8-6-10(13)7-9(2)11(8)14-15-16-12(3,4)5/h6-7H,1-5H3/b15-14+
SMILES: Cc1cc(Br)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch1][C][Br][=C][C][C][=N][NH1][C][Ring1][#Branch2][=Ring1][Branch1]
InChI: InChI=1S/C8H7BrN2/c1-5-2-7(9)3-6-4-10-11-8(5)6/h2-4H,1H3,(H,10,11)
SMILES: Cc1cc(C=O)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch1][Ring1][C][=O][=C][C][C][=N][NH1][C][Ring1][O][=Ring1][Branch1]
InChI: InChI=1S/C9H8N2O/c1-6-2-7(5-12)3-8-4-10-11-9(6)8/h2-5H,1H3,(H,10,11)
SMILES: COC(=O)/C(=C/c1cc(C)c2[nH]ncc2c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][/C][=Branch2][Ring1][C][=C][/C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C20H19N3O4/c1-13-8-15(9-16-11-21-23-18(13)16)10-17(19(24)26-2)22-20(25)27-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,21,23)(H,22,25)/b17-10-
SMILES: COC(=O)C(N)Cc1cc(C)c2[nH]ncc2c1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C12H15N3O2/c1-7-3-8(5-10(13)12(16)17-2)4-9-6-14-15-11(7)9/h3-4,6,10H,5,13H2,1-2H3,(H,14,15)
SMILES: COC(=O)C(Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C26H30N6O4/c1-16-11-17(12-19-14-27-30-23(16)19)13-22(24(33)36-2)29-25(34)31-9-7-20(8-10-31)32-15-18-5-3-4-6-21(18)28-26(32)35/h3-6,11-12,14,20,22H,7-10,13,15H2,1-2H3,(H,27,30)(H,28,35)(H,29,34)
SMILES: COC(=O)C(Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC2(CC1)NC(=O)Nc1ccccc12
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N]
InChI: InChI=1S/C25H28N6O4/c1-15-11-16(12-17-14-26-30-21(15)17)13-20(22(32)35-2)28-24(34)31-9-7-25(8-10-31)18-5-3-4-6-19(18)27-23(33)29-25/h3-6,11-12,14,20H,7-10,13H2,1-2H3,(H,26,30)(H,28,34)(H2,27,29,33)
SMILES: COC(=O)C(Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC2(CC1)OC(=O)Nc1ccccc12
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N]
InChI: InChI=1S/C25H27N5O5/c1-15-11-16(12-17-14-26-29-21(15)17)13-20(22(31)34-2)27-23(32)30-9-7-25(8-10-30)18-5-3-4-6-19(18)28-24(33)35-25/h3-6,11-12,14,20H,7-10,13H2,1-2H3,(H,26,29)(H,27,32)(H,28,33)
SMILES: COC(=O)C(Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC2(CC1)CC(=O)Nc1ccccc12
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N]
InChI: InChI=1S/C26H29N5O4/c1-16-11-17(12-18-15-27-30-23(16)18)13-21(24(33)35-2)29-25(34)31-9-7-26(8-10-31)14-22(32)28-20-6-4-3-5-19(20)26/h3-6,11-12,15,21H,7-10,13-14H2,1-2H3,(H,27,30)(H,28,32)(H,29,34)
SMILES: COC(=O)C(Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC2(CC1)N=C(c1ccccc1)NC2=O
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][=N][=O]
InChI: InChI=1S/C26H28N6O4/c1-16-12-17(13-19-15-27-31-21(16)19)14-20(23(33)36-2)28-25(35)32-10-8-26(9-11-32)24(34)29-22(30-26)18-6-4-3-5-7-18/h3-7,12-13,15,20H,8-11,14H2,1-2H3,(H,27,31)(H,28,35)(H,29,30,34)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)O)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][=Branch2][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][O][=C][C][C][=N][NH1][C][Ring2][Ring2][C][=Ring1][Branch1]
InChI: InChI=1S/C25H28N6O4/c1-15-10-16(11-18-13-26-29-22(15)18)12-21(23(32)33)28-24(34)30-8-6-19(7-9-30)31-14-17-4-2-3-5-20(17)27-25(31)35/h2-5,10-11,13,19,21H,6-9,12,14H2,1H3,(H,26,29)(H,27,35)(H,28,34)(H,32,33)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)NC(=O)Nc2ccccc23)C(=O)O)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][#Branch2][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][O][=C][C][C][=N][NH1][C][Ring2][Ring1][P][=Ring1][Branch1]
InChI: InChI=1S/C24H26N6O4/c1-14-10-15(11-16-13-25-29-20(14)16)12-19(21(31)32)27-23(34)30-8-6-24(7-9-30)17-4-2-3-5-18(17)26-22(33)28-24/h2-5,10-11,13,19H,6-9,12H2,1H3,(H,25,29)(H,27,34)(H,31,32)(H2,26,28,33)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)O)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][#Branch2][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][O][=C][C][C][=N][NH1][C][Ring2][Ring1][P][=Ring1][Branch1]
InChI: InChI=1S/C24H25N5O5/c1-14-10-15(11-16-13-25-28-20(14)16)12-19(21(30)31)26-22(32)29-8-6-24(7-9-29)17-4-2-3-5-18(17)27-23(33)34-24/h2-5,10-11,13,19H,6-9,12H2,1H3,(H,25,28)(H,26,32)(H,27,33)(H,30,31)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)CC(=O)Nc2ccccc23)C(=O)O)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][#Branch2][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][O][=C][C][C][=N][NH1][C][Ring2][Ring1][P][=Ring1][Branch1]
InChI: InChI=1S/C25H27N5O4/c1-15-10-16(11-17-14-26-29-22(15)17)12-20(23(32)33)28-24(34)30-8-6-25(7-9-30)13-21(31)27-19-5-3-2-4-18(19)25/h2-5,10-11,14,20H,6-9,12-13H2,1H3,(H,26,29)(H,27,31)(H,28,34)(H,32,33)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)N=C(c2ccccc2)NC3=O)C(=O)O)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][O][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][=N][=O][C][=Branch1][C][=O][O][=C][C][C][=N][NH1][C][Ring2][Ring2][C][=Ring1][Branch1]
InChI: InChI=1S/C25H26N6O4/c1-15-11-16(12-18-14-26-30-20(15)18)13-19(22(32)33)27-24(35)31-9-7-25(8-10-31)23(34)28-21(29-25)17-5-3-2-4-6-17/h2-6,11-12,14,19H,7-10,13H2,1H3,(H,26,30)(H,27,35)(H,32,33)(H,28,29,34)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][#Branch2][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][=N][=Ring1][Branch1]
InChI: InChI=1S/C35H46N8O3/c1-24-19-25(20-27-22-36-39-32(24)27)21-31(33(44)41-15-9-28(10-16-41)40-13-5-2-6-14-40)38-34(45)42-17-11-29(12-18-42)43-23-26-7-3-4-8-30(26)37-35(43)46/h3-4,7-8,19-20,22,28-29,31H,2,5-6,9-18,21,23H2,1H3,(H,36,39)(H,37,46)(H,38,45)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCCCC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][S][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][#Branch1][=Ring1][Branch1]
InChI: InChI=1S/C30H37N7O3/c1-20-15-21(16-23-18-31-34-27(20)23)17-26(28(38)35-11-5-2-6-12-35)33-29(39)36-13-9-24(10-14-36)37-19-22-7-3-4-8-25(22)32-30(37)40/h3-4,7-8,15-16,18,24,26H,2,5-6,9-14,17,19H2,1H3,(H,31,34)(H,32,40)(H,33,39)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N(C)C)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][=N][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][C][=N][NH1][C][Ring2][Ring2][Ring2][=Ring1][Branch1]
InChI: InChI=1S/C27H33N7O3/c1-17-12-18(13-20-15-28-31-24(17)20)14-23(25(35)32(2)3)30-26(36)33-10-8-21(9-11-33)34-16-19-6-4-5-7-22(19)29-27(34)37/h4-7,12-13,15,21,23H,8-11,14,16H2,1-3H3,(H,28,31)(H,29,37)(H,30,36)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCN(C)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][Ring1][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][Branch2][=Ring1][Branch1]
InChI: InChI=1S/C30H38N8O3/c1-20-15-21(16-23-18-31-34-27(20)23)17-26(28(39)36-13-11-35(2)12-14-36)33-29(40)37-9-7-24(8-10-37)38-19-22-5-3-4-6-25(22)32-30(38)41/h3-6,15-16,18,24,26H,7-14,17,19H2,1-2H3,(H,31,34)(H,32,41)(H,33,40)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCCC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][#C][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][=Branch1][=Ring1][Branch1]
InChI: InChI=1S/C29H35N7O3/c1-19-14-20(15-22-17-30-33-26(19)22)16-25(27(37)34-10-4-5-11-34)32-28(38)35-12-8-23(9-13-35)36-18-21-6-2-3-7-24(21)31-29(36)39/h2-3,6-7,14-15,17,23,25H,4-5,8-13,16,18H2,1H3,(H,30,33)(H,31,39)(H,32,38)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCN(c3ccncc3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][#Branch2][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][=N][=Ring1][Branch1]
InChI: InChI=1S/C34H39N9O3/c1-23-18-24(19-26-21-36-39-31(23)26)20-30(32(44)41-16-14-40(15-17-41)27-6-10-35-11-7-27)38-33(45)42-12-8-28(9-13-42)43-22-25-4-2-3-5-29(25)37-34(43)46/h2-7,10-11,18-19,21,28,30H,8-9,12-17,20,22H2,1H3,(H,36,39)(H,37,46)(H,38,45)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCN(c3ccccn3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][#Branch2][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][=N][=Ring1][Branch1]
InChI: InChI=1S/C34H39N9O3/c1-23-18-24(19-26-21-36-39-31(23)26)20-29(32(44)41-16-14-40(15-17-41)30-8-4-5-11-35-30)38-33(45)42-12-9-27(10-13-42)43-22-25-6-2-3-7-28(25)37-34(43)46/h2-8,11,18-19,21,27,29H,9-10,12-17,20,22H2,1H3,(H,36,39)(H,37,46)(H,38,45)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)NC(=O)Nc2ccccc23)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][O][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][N][=Ring1][Branch1]
InChI: InChI=1S/C34H44N8O3/c1-23-19-24(20-25-22-35-39-30(23)25)21-29(31(43)41-15-9-26(10-16-41)40-13-5-2-6-14-40)37-33(45)42-17-11-34(12-18-42)27-7-3-4-8-28(27)36-32(44)38-34/h3-4,7-8,19-20,22,26,29H,2,5-6,9-18,21H2,1H3,(H,35,39)(H,37,45)(H2,36,38,44)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)NC(=O)Nc2ccccc23)C(=O)N2CCCCC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][P][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][=Branch1][=Ring1][Branch1]
InChI: InChI=1S/C29H35N7O3/c1-19-15-20(16-21-18-30-34-25(19)21)17-24(26(37)35-11-5-2-6-12-35)32-28(39)36-13-9-29(10-14-36)22-7-3-4-8-23(22)31-27(38)33-29/h3-4,7-8,15-16,18,24H,2,5-6,9-14,17H2,1H3,(H,30,34)(H,32,39)(H2,31,33,38)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][O][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][N][=Ring1][Branch1]
InChI: InChI=1S/C34H43N7O4/c1-23-19-24(20-25-22-35-38-30(23)25)21-29(31(42)40-15-9-26(10-16-40)39-13-5-2-6-14-39)36-32(43)41-17-11-34(12-18-41)27-7-3-4-8-28(27)37-33(44)45-34/h3-4,7-8,19-20,22,26,29H,2,5-6,9-18,21H2,1H3,(H,35,38)(H,36,43)(H,37,44)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCCCC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][P][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][=Branch1][=Ring1][Branch1]
InChI: InChI=1S/C29H34N6O4/c1-19-15-20(16-21-18-30-33-25(19)21)17-24(26(36)34-11-5-2-6-12-34)31-27(37)35-13-9-29(10-14-35)22-7-3-4-8-23(22)32-28(38)39-29/h3-4,7-8,15-16,18,24H,2,5-6,9-14,17H2,1H3,(H,30,33)(H,31,37)(H,32,38)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N(C)C)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][=C][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][C][=N][NH1][C][Ring2][Ring2][Ring1][=Ring1][Branch1]
InChI: InChI=1S/C26H30N6O4/c1-16-12-17(13-18-15-27-30-22(16)18)14-21(23(33)31(2)3)28-24(34)32-10-8-26(9-11-32)19-6-4-5-7-20(19)29-25(35)36-26/h4-7,12-13,15,21H,8-11,14H2,1-3H3,(H,27,30)(H,28,34)(H,29,35)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)NC2C3CC4CC(C3)CC2C4)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][N][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][O][=Ring1][Branch1]
InChI: InChI=1S/C34H40N6O4/c1-19-10-20(16-25-18-35-39-29(19)25)17-28(31(41)38-30-23-12-21-11-22(14-23)15-24(30)13-21)36-32(42)40-8-6-34(7-9-40)26-4-2-3-5-27(26)37-33(43)44-34/h2-5,10,16,18,21-24,28,30H,6-9,11-15,17H2,1H3,(H,35,39)(H,36,42)(H,37,43)(H,38,41)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)NCc2ccncc2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][Ring1][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][Branch2][=Ring1][Branch1]
InChI: InChI=1S/C30H31N7O4/c1-19-14-21(15-22-18-33-36-26(19)22)16-25(27(38)32-17-20-6-10-31-11-7-20)34-28(39)37-12-8-30(9-13-37)23-4-2-3-5-24(23)35-29(40)41-30/h2-7,10-11,14-15,18,25H,8-9,12-13,16-17H2,1H3,(H,32,38)(H,33,36)(H,34,39)(H,35,40)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)CC(=O)Nc2ccccc23)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][O][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][N][=Ring1][Branch1]
InChI: InChI=1S/C35H45N7O3/c1-24-19-25(20-26-23-36-39-32(24)26)21-30(33(44)41-15-9-27(10-16-41)40-13-5-2-6-14-40)38-34(45)42-17-11-35(12-18-42)22-31(43)37-29-8-4-3-7-28(29)35/h3-4,7-8,19-20,23,27,30H,2,5-6,9-18,21-22H2,1H3,(H,36,39)(H,37,43)(H,38,45)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)CC(=O)Nc2ccccc23)C(=O)N2CCCCC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][P][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][=Branch1][=Ring1][Branch1]
InChI: InChI=1S/C30H36N6O3/c1-20-15-21(16-22-19-31-34-27(20)22)17-25(28(38)35-11-5-2-6-12-35)33-29(39)36-13-9-30(10-14-36)18-26(37)32-24-8-4-3-7-23(24)30/h3-4,7-8,15-16,19,25H,2,5-6,9-14,17-18H2,1H3,(H,31,34)(H,32,37)(H,33,39)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)CC(=O)Nc2ccccc23)C(=O)N(C)C)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][=C][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][C][=N][NH1][C][Ring2][Ring2][Ring1][=Ring1][Branch1]
InChI: InChI=1S/C27H32N6O3/c1-17-12-18(13-19-16-28-31-24(17)19)14-22(25(35)32(2)3)30-26(36)33-10-8-27(9-11-33)15-23(34)29-21-7-5-4-6-20(21)27/h4-7,12-13,16,22H,8-11,14-15H2,1-3H3,(H,28,31)(H,29,34)(H,30,36)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)N=C(c2ccccc2)NC3=O)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][N][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][=N][=O][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][=N][=Ring1][Branch1]
InChI: InChI=1S/C35H44N8O3/c1-24-20-25(21-27-23-36-40-30(24)27)22-29(32(44)42-16-10-28(11-17-42)41-14-6-3-7-15-41)37-34(46)43-18-12-35(13-19-43)33(45)38-31(39-35)26-8-4-2-5-9-26/h2,4-5,8-9,20-21,23,28-29H,3,6-7,10-19,22H2,1H3,(H,36,40)(H,37,46)(H,38,39,45)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)N=C(c2ccccc2)NC3=O)C(=O)N2CCCCC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][C][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][=N][=O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][#Branch1][=Ring1][Branch1]
InChI: InChI=1S/C30H35N7O3/c1-20-16-21(17-23-19-31-35-25(20)23)18-24(27(38)36-12-6-3-7-13-36)32-29(40)37-14-10-30(11-15-37)28(39)33-26(34-30)22-8-4-2-5-9-22/h2,4-5,8-9,16-17,19,24H,3,6-7,10-15,18H2,1H3,(H,31,35)(H,32,40)(H,33,34,39)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)N=C(c2ccccc2)NC3=O)C(=O)N(C)C)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][#C][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][=N][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][C][=N][NH1][C][Ring2][Ring2][Ring2][=Ring1][Branch1]
InChI: InChI=1S/C27H31N7O3/c1-17-13-18(14-20-16-28-32-22(17)20)15-21(24(35)33(2)3)29-26(37)34-11-9-27(10-12-34)25(36)30-23(31-27)19-7-5-4-6-8-19/h4-8,13-14,16,21H,9-12,15H2,1-3H3,(H,28,32)(H,29,37)(H,30,31,36)
SMILES: O=C(NC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][S][N][C][Branch1][#C][C][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C37H41N9O4/c47-34(43-15-11-28(12-16-43)45-22-25-5-1-3-7-30(25)39-36(45)49)33(20-24-9-10-32-27(19-24)21-38-42-32)41-35(48)44-17-13-29(14-18-44)46-23-26-6-2-4-8-31(26)40-37(46)50/h1-10,19,21,28-29,33H,11-18,20,22-23H2,(H,38,42)(H,39,49)(H,40,50)(H,41,48)
SMILES: O=C(NC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][#C][N][C][Branch1][#C][C][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C36H40N8O5/c45-33(41-16-18-43(19-17-41)36(48)49-24-25-6-2-1-3-7-25)32(21-26-10-11-31-28(20-26)22-37-40-31)39-34(46)42-14-12-29(13-15-42)44-23-27-8-4-5-9-30(27)38-35(44)47/h1-11,20,22,29,32H,12-19,21,23-24H2,(H,37,40)(H,38,47)(H,39,46)
SMILES: O=C(NC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCNCC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring1][#C][N][C][Branch1][#C][C][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][C][Ring1][=Branch1][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C28H34N8O3/c37-26(34-13-9-29-10-14-34)25(16-19-5-6-24-21(15-19)17-30-33-24)32-27(38)35-11-7-22(8-12-35)36-18-20-3-1-2-4-23(20)31-28(36)39/h1-6,15,17,22,25,29H,7-14,16,18H2,(H,30,33)(H,31,39)(H,32,38)
SMILES: CCC(C)CN1CCN(C(=O)C(Cc2ccc3[nH]ncc3c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1
SELFIES: [C][C][C][Branch1][C][C][C][N][C][C][N][Branch2][Branch1][Ring2][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][C][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C33H44N8O3/c1-3-23(2)21-38-14-16-39(17-15-38)31(42)30(19-24-8-9-29-26(18-24)20-34-37-29)36-32(43)40-12-10-27(11-13-40)41-22-25-6-4-5-7-28(25)35-33(41)44/h4-9,18,20,23,27,30H,3,10-17,19,21-22H2,1-2H3,(H,34,37)(H,35,44)(H,36,43)