EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCS(=O)(=O)CC1
SELFIES: [C][C@@H1][Branch2][Ring1][Branch2][C][N][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][N][N][C][=Branch1][C][=O][O][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2]
InChI: InChI=1S/C27H40FN3O5S/c1-19(17-31-18-27(2,3)22-16-21(28)9-10-23(22)31)29-26(33)36-24(15-20-7-5-4-6-8-20)25(32)30-11-13-37(34,35)14-12-30/h9-10,16,19-20,24H,4-8,11-15,17-18H2,1-3H3,(H,29,33)/t19-,24-/m0/s1
SMILES: COCCN(C)C(=O)[C@H](CC1CCCCC1)OC(=O)N[C@@H](C)CN1CC(C)(C)c2cc(F)ccc21
SELFIES: [C][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][N][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][N]
InChI: InChI=1S/C27H42FN3O4/c1-19(17-31-18-27(2,3)22-16-21(28)11-12-23(22)31)29-26(33)35-24(15-20-9-7-6-8-10-20)25(32)30(4)13-14-34-5/h11-12,16,19-20,24H,6-10,13-15,17-18H2,1-5H3,(H,29,33)/t19-,24-/m0/s1
SMILES: C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCC1
SELFIES: [C][C@@H1][Branch2][Ring1][Branch2][C][N][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][N][N][C][=Branch1][C][=O][O][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring2]
InChI: InChI=1S/C26H38FN3O3/c1-18(16-30-17-26(2,3)21-15-20(27)10-11-22(21)30)28-25(32)33-23(24(31)29-12-7-13-29)14-19-8-5-4-6-9-19/h10-11,15,18-19,23H,4-9,12-14,16-17H2,1-3H3,(H,28,32)/t18-,23-/m0/s1
SMILES: CC1(C)CN(C[C@@H](NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)C2CC2)c2ccc(F)cc21
SELFIES: [C][C][Branch1][C][C][C][N][Branch2][Ring2][=Branch2][C][C@@H1][Branch2][Ring1][#C][N][C][=Branch1][C][=O][O][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring2][Ring2]
InChI: InChI=1S/C29H42FN3O4/c1-29(2)19-33(25-11-10-22(30)17-23(25)29)18-24(21-8-9-21)31-28(35)37-26(16-20-6-4-3-5-7-20)27(34)32-12-14-36-15-13-32/h10-11,17,20-21,24,26H,3-9,12-16,18-19H2,1-2H3,(H,31,35)/t24-,26+/m1/s1
SMILES: CC(C)[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)OC(C(=O)N1CCOCC1)c1ccccc1
SELFIES: [C][C][Branch1][C][C][C@@H1][Branch2][Ring1][Branch2][C][N][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][N][N][C][=Branch1][C][=O][O][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C28H36FN3O4/c1-19(2)23(17-32-18-28(3,4)22-16-21(29)10-11-24(22)32)30-27(34)36-25(20-8-6-5-7-9-20)26(33)31-12-14-35-15-13-31/h5-11,16,19,23,25H,12-15,17-18H2,1-4H3,(H,30,34)/t23-,25?/m1/s1
SMILES: CC(C)[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@H](C(=O)N1CCOCC1)C1CCCCC1
SELFIES: [C][C][Branch1][C][C][C@@H1][Branch2][Ring1][Branch2][C][N][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][N][N][C][=Branch1][C][=O][O][C@H1][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C28H42FN3O4/c1-19(2)23(17-32-18-28(3,4)22-16-21(29)10-11-24(22)32)30-27(34)36-25(20-8-6-5-7-9-20)26(33)31-12-14-35-15-13-31/h10-11,16,19-20,23,25H,5-9,12-15,17-18H2,1-4H3,(H,30,34)/t23-,25+/m1/s1
SMILES: NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1
SELFIES: [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C25H19BrN4O4S/c26-18-13-14-23(28-15-18)30-25(32)20-6-1-3-7-21(20)29-24(31)17-11-9-16(10-12-17)19-5-2-4-8-22(19)35(27,33)34/h1-15H,(H,29,31)(H2,27,33,34)(H,28,30,32)
SMILES: NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C25H19ClN4O4S/c26-18-13-14-23(28-15-18)30-25(32)20-6-1-3-7-21(20)29-24(31)17-11-9-16(10-12-17)19-5-2-4-8-22(19)35(27,33)34/h1-15H,(H,29,31)(H2,27,33,34)(H,28,30,32)
SMILES: CS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C26H20BrN3O4S/c1-35(33,34)23-9-5-3-6-20(23)17-10-12-18(13-11-17)25(31)29-22-8-4-2-7-21(22)26(32)30-24-15-14-19(27)16-28-24/h2-16H,1H3,(H,29,31)(H,28,30,32)
SMILES: CS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C26H20ClN3O4S/c1-35(33,34)23-9-5-3-6-20(23)17-10-12-18(13-11-17)25(31)29-22-8-4-2-7-21(22)26(32)30-24-15-14-19(27)16-28-24/h2-16H,1H3,(H,29,31)(H,28,30,32)
SMILES: COC(=O)c1cc(Br)ccc1NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2S(C)(=O)=O)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][S]
InChI: InChI=1S/C29H23BrN2O6S/c1-38-29(35)23-17-20(30)15-16-25(23)32-28(34)22-8-3-5-9-24(22)31-27(33)19-13-11-18(12-14-19)21-7-4-6-10-26(21)39(2,36)37/h3-17H,1-2H3,(H,31,33)(H,32,34)
SMILES: COC(=O)c1cc(Cl)cnc1NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2S(C)(=O)=O)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][S]
InChI: InChI=1S/C28H22ClN3O6S/c1-38-28(35)22-15-19(29)16-30-25(22)32-27(34)21-8-3-5-9-23(21)31-26(33)18-13-11-17(12-14-18)20-7-4-6-10-24(20)39(2,36)37/h3-16H,1-2H3,(H,31,33)(H,30,32,34)
SMILES: NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ncccc2C(=O)Nc2ccc(Br)cn2)cc1
SELFIES: [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C24H18BrN5O4S/c25-17-11-12-21(28-14-17)29-24(32)19-5-3-13-27-22(19)30-23(31)16-9-7-15(8-10-16)18-4-1-2-6-20(18)35(26,33)34/h1-14H,(H2,26,33,34)(H,27,30,31)(H,28,29,32)
SMILES: NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ncccc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C24H18ClN5O4S/c25-17-11-12-21(28-14-17)29-24(32)19-5-3-13-27-22(19)30-23(31)16-9-7-15(8-10-16)18-4-1-2-6-20(18)35(26,33)34/h1-14H,(H2,26,33,34)(H,27,30,31)(H,28,29,32)
SMILES: NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Br)cn2)cc1
SELFIES: [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C24H18BrN5O4S/c25-17-11-12-21(28-14-17)30-24(32)22-19(5-3-13-27-22)29-23(31)16-9-7-15(8-10-16)18-4-1-2-6-20(18)35(26,33)34/h1-14H,(H,29,31)(H2,26,33,34)(H,28,30,32)
SMILES: NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C24H18ClN5O4S/c25-17-11-12-21(28-14-17)30-24(32)22-19(5-3-13-27-22)29-23(31)16-9-7-15(8-10-16)18-4-1-2-6-20(18)35(26,33)34/h1-14H,(H,29,31)(H2,26,33,34)(H,28,30,32)
SMILES: CS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cc2[N+](=O)[O-])cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][N]
InChI: InChI=1S/C27H20BrN3O6S/c1-38(36,37)25-9-5-3-6-20(25)17-10-12-18(13-11-17)26(32)29-22-8-4-2-7-21(22)27(33)30-23-15-14-19(28)16-24(23)31(34)35/h2-16H,1H3,(H,29,32)(H,30,33)
SMILES: NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)Nc2ccc(Br)cn2)cc1
SELFIES: [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][N]
InChI: InChI=1S/C25H18BrN5O6S/c26-17-9-12-23(28-14-17)30-25(33)20-11-10-18(31(34)35)13-21(20)29-24(32)16-7-5-15(6-8-16)19-3-1-2-4-22(19)38(27,36)37/h1-14H,(H,29,32)(H2,27,36,37)(H,28,30,33)
SMILES: Nc1ccc(C(=O)Nc2ccc(Br)cn2)c(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C25H20BrN5O4S/c26-17-9-12-23(29-14-17)31-25(33)20-11-10-18(27)13-21(20)30-24(32)16-7-5-15(6-8-16)19-3-1-2-4-22(19)36(28,34)35/h1-14H,27H2,(H,30,32)(H2,28,34,35)(H,29,31,33)
SMILES: Nc1ccc(C(=O)Nc2ccc(Cl)cn2)c(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C25H20ClN5O4S/c26-17-9-12-23(29-14-17)31-25(33)20-11-10-18(27)13-21(20)30-24(32)16-7-5-15(6-8-16)19-3-1-2-4-22(19)36(28,34)35/h1-14H,27H2,(H,30,32)(H2,28,34,35)(H,29,31,33)
SMILES: CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Br)cn2)c(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C26H22BrN5O6S2/c1-39(35,36)32-19-11-12-21(26(34)31-24-13-10-18(27)15-29-24)22(14-19)30-25(33)17-8-6-16(7-9-17)20-4-2-3-5-23(20)40(28,37)38/h2-15,32H,1H3,(H,30,33)(H2,28,37,38)(H,29,31,34)
SMILES: CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cn2)c(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C26H22ClN5O6S2/c1-39(35,36)32-19-11-12-21(26(34)31-24-13-10-18(27)15-29-24)22(14-19)30-25(33)17-8-6-16(7-9-17)20-4-2-3-5-23(20)40(28,37)38/h2-15,32H,1H3,(H,30,33)(H2,28,37,38)(H,29,31,34)
SMILES: Nc1ccc(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c(C(=O)Nc2ccc(Br)cn2)c1
SELFIES: [N][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C25H20BrN5O4S/c26-17-9-12-23(29-14-17)31-25(33)20-13-18(27)10-11-21(20)30-24(32)16-7-5-15(6-8-16)19-3-1-2-4-22(19)36(28,34)35/h1-14H,27H2,(H,30,32)(H2,28,34,35)(H,29,31,33)
SMILES: Nc1ccc(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [N][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C25H20ClN5O4S/c26-17-9-12-23(29-14-17)31-25(33)20-13-18(27)10-11-21(20)30-24(32)16-7-5-15(6-8-16)19-3-1-2-4-22(19)36(28,34)35/h1-14H,27H2,(H,30,32)(H2,28,34,35)(H,29,31,33)
SMILES: N=C(N)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H16BrN5O2/c21-14-9-10-17(24-11-14)26-20(28)15-3-1-2-4-16(15)25-19(27)13-7-5-12(6-8-13)18(22)23/h1-11H,(H3,22,23)(H,25,27)(H,24,26,28)
SMILES: O=C(Nc1ccccc1C(=O)Nc1ccc(Br)cn1)c1ccc(C2=NCCN2)cc1
SELFIES: [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O]
InChI: InChI=1S/C22H18BrN5O2/c23-16-9-10-19(26-13-16)28-22(30)17-3-1-2-4-18(17)27-21(29)15-7-5-14(6-8-15)20-24-11-12-25-20/h1-10,13H,11-12H2,(H,24,25)(H,27,29)(H,26,28,30)
SMILES: O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C2=NCCN2)cc1
SELFIES: [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O]
InChI: InChI=1S/C22H18ClN5O2/c23-16-9-10-19(26-13-16)28-22(30)17-3-1-2-4-18(17)27-21(29)15-7-5-14(6-8-15)20-24-11-12-25-20/h1-10,13H,11-12H2,(H,24,25)(H,27,29)(H,26,28,30)
SMILES: O=C(Nc1ccccc1C(=O)Nc1ccc(Br)cn1)c1ccc(-c2nnn[nH]2)cc1
SELFIES: [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][O]
InChI: InChI=1S/C20H14BrN7O2/c21-14-9-10-17(22-11-14)24-20(30)15-3-1-2-4-16(15)23-19(29)13-7-5-12(6-8-13)18-25-27-28-26-18/h1-11H,(H,23,29)(H,22,24,30)(H,25,26,27,28)
SMILES: NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)Nc2ccc(Br)cn2)cc1
SELFIES: [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][O]
InChI: InChI=1S/C25H17BrF2N4O4S/c26-16-9-10-23(30-13-16)32-25(34)18-11-19(27)20(28)12-21(18)31-24(33)15-7-5-14(6-8-15)17-3-1-2-4-22(17)37(29,35)36/h1-13H,(H,31,33)(H2,29,35,36)(H,30,32,34)
SMILES: COc1cc(C(=O)Nc2ccc(Br)cn2)c(NC(=O)c2ccc(C3=NCCN3C)cc2)c(OC)c1OC
SELFIES: [C][O][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=N][C][C][N][Ring1][Branch1][C][C][=C][Ring1][N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][P][O][C]
InChI: InChI=1S/C26H26BrN5O5/c1-32-12-11-28-24(32)15-5-7-16(8-6-15)25(33)31-21-18(13-19(35-2)22(36-3)23(21)37-4)26(34)30-20-10-9-17(27)14-29-20/h5-10,13-14H,11-12H2,1-4H3,(H,31,33)(H,29,30,34)
SMILES: N=C(N)c1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C26H20ClN5O2/c27-18-13-14-23(30-15-18)32-26(34)21-7-3-4-8-22(21)31-25(33)17-11-9-16(10-12-17)19-5-1-2-6-20(19)24(28)29/h1-15H,(H3,28,29)(H,31,33)(H,30,32,34)
SMILES: CN(C)C(=N)c1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C28H24ClN5O2/c1-34(2)26(30)22-8-4-3-7-21(22)18-11-13-19(14-12-18)27(35)32-24-10-6-5-9-23(24)28(36)33-25-16-15-20(29)17-31-25/h3-17,30H,1-2H3,(H,32,35)(H,31,33,36)
SMILES: N=C(NO)c1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [N][=C][Branch1][Ring1][N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C26H20ClN5O3/c27-18-13-14-23(29-15-18)31-26(34)21-7-3-4-8-22(21)30-25(33)17-11-9-16(10-12-17)19-5-1-2-6-20(19)24(28)32-35/h1-15,35H,(H2,28,32)(H,30,33)(H,29,31,34)
SMILES: NC(=O)c1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C26H19ClN4O3/c27-18-13-14-23(29-15-18)31-26(34)21-7-3-4-8-22(21)30-25(33)17-11-9-16(10-12-17)19-5-1-2-6-20(19)24(28)32/h1-15H,(H2,28,32)(H,30,33)(H,29,31,34)
SMILES: NCc1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C26H21ClN4O2/c27-20-13-14-24(29-16-20)31-26(33)22-7-3-4-8-23(22)30-25(32)18-11-9-17(10-12-18)21-6-2-1-5-19(21)15-28/h1-14,16H,15,28H2,(H,30,32)(H,29,31,33)
SMILES: NCc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [N][C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H17ClN4O2/c21-15-9-10-18(23-12-15)25-20(27)16-3-1-2-4-17(16)24-19(26)14-7-5-13(11-22)6-8-14/h1-10,12H,11,22H2,(H,24,26)(H,23,25,27)
SMILES: O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CNC2=NCCN2)cc1
SELFIES: [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][C][=C][Branch1][#Branch2][C][N][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][=N]
InChI: InChI=1S/C23H21ClN6O2/c24-17-9-10-20(27-14-17)30-22(32)18-3-1-2-4-19(18)29-21(31)16-7-5-15(6-8-16)13-28-23-25-11-12-26-23/h1-10,14H,11-13H2,(H,29,31)(H2,25,26,28)(H,27,30,32)
SMILES: CN1CCN=C1NCc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [C][N][C][C][N][=C][Ring1][Branch1][N][C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C24H23ClN6O2/c1-31-13-12-26-24(31)28-14-16-6-8-17(9-7-16)22(32)29-20-5-3-2-4-19(20)23(33)30-21-11-10-18(25)15-27-21/h2-11,15H,12-14H2,1H3,(H,26,28)(H,29,32)(H,27,30,33)
SMILES: NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)cc1
SELFIES: [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C25H18BrFN4O4S/c26-17-9-12-23(29-14-17)31-25(33)20-13-18(27)10-11-21(20)30-24(32)16-7-5-15(6-8-16)19-3-1-2-4-22(19)36(28,34)35/h1-14H,(H,30,32)(H2,28,34,35)(H,29,31,33)
SMILES: NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C25H18ClFN4O4S/c26-17-9-12-23(29-14-17)31-25(33)20-13-18(27)10-11-21(20)30-24(32)16-7-5-15(6-8-16)19-3-1-2-4-22(19)36(28,34)35/h1-14H,(H,30,32)(H2,28,34,35)(H,29,31,33)
SMILES: CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c(C(=O)Nc2ccc(Br)cn2)c1
SELFIES: [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C27H22BrN5O5S/c1-16(34)31-20-11-12-23(22(14-20)27(36)33-25-13-10-19(28)15-30-25)32-26(35)18-8-6-17(7-9-18)21-4-2-3-5-24(21)39(29,37)38/h2-15H,1H3,(H,31,34)(H,32,35)(H2,29,37,38)(H,30,33,36)
SMILES: CN1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)c(C(=O)Nc3ccc(Br)cn3)c2)CC1
SELFIES: [C][N][C][C][N][Branch2][Branch1][=C][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][Ring2][Ring2][Ring1][C][C][Ring2][Ring2][=Branch2]
InChI: InChI=1S/C30H29BrN6O4S/c1-36-14-16-37(17-15-36)23-11-12-26(25(18-23)30(39)35-28-13-10-22(31)19-33-28)34-29(38)21-8-6-20(7-9-21)24-4-2-3-5-27(24)42(32,40)41/h2-13,18-19H,14-17H2,1H3,(H,34,38)(H2,32,40,41)(H,33,35,39)
SMILES: NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C28H21ClN6O4S/c29-20-9-12-26(32-16-20)34-28(37)23-15-21(35-14-13-31-17-35)10-11-24(23)33-27(36)19-7-5-18(6-8-19)22-3-1-2-4-25(22)40(30,38)39/h1-17H,(H,33,36)(H2,30,38,39)(H,32,34,37)
SMILES: NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)cc1
SELFIES: [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][O]
InChI: InChI=1S/C25H19BrFN5O4S/c26-16-7-12-23(29-14-16)32-24(33)20-13-17(27)8-11-21(20)31-25(34)30-18-9-5-15(6-10-18)19-3-1-2-4-22(19)37(28,35)36/h1-14H,(H2,28,35,36)(H,29,32,33)(H2,30,31,34)