EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(Cl)c2-c2ccc(Cl)cc2)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][P][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][C][Cl][=C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C18H11Cl2F3N2O2S/c1-28(26,27)13-8-4-11(5-9-13)15-14(10-2-6-12(19)7-3-10)16(20)25-17(24-15)18(21,22)23/h2-9H,1H3
SMILES: CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(Cl)c2-c2ccc(F)cc2)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][P][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][C][Cl][=C][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C18H11ClF4N2O2S/c1-28(26,27)13-8-4-11(5-9-13)15-14(10-2-6-12(20)7-3-10)16(19)25-17(24-15)18(21,22)23/h2-9H,1H3
SMILES: Clc1nc(Cl)c(-c2ccccc2)c(-c2ccccc2)n1
SELFIES: [Cl][C][=N][C][Branch1][C][Cl][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1]
InChI: InChI=1S/C16H10Cl2N2/c17-15-13(11-7-3-1-4-8-11)14(19-16(18)20-15)12-9-5-2-6-10-12/h1-10H
SMILES: Cc1ccc(-c2nc(Cl)nc(Cl)c2-c2ccccc2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C17H12Cl2N2/c1-11-7-9-13(10-8-11)15-14(12-5-3-2-4-6-12)16(18)21-17(19)20-15/h2-10H,1H3
SMILES: Clc1ccc(-c2nc(Cl)nc(Cl)c2-c2ccccc2)cc1
SELFIES: [Cl][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C16H9Cl3N2/c17-12-8-6-11(7-9-12)14-13(10-4-2-1-3-5-10)15(18)21-16(19)20-14/h1-9H
SMILES: Clc1ccc(-c2c(Cl)nc(Cl)nc2-c2ccccc2)cc1
SELFIES: [Cl][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Branch1][C][Cl][N][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C16H9Cl3N2/c17-12-8-6-10(7-9-12)13-14(11-4-2-1-3-5-11)20-16(19)21-15(13)18/h1-9H
SMILES: COc1ccc(-c2c(Cl)nc(Cl)nc2-c2ccccc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Branch1][C][Cl][N][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C17H12Cl2N2O/c1-22-13-9-7-11(8-10-13)14-15(12-5-3-2-4-6-12)20-17(19)21-16(14)18/h2-10H,1H3
SMILES: CSc1ccc(-c2c(Cl)nc(Cl)nc2-c2ccccc2)cc1
SELFIES: [C][S][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Branch1][C][Cl][N][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C17H12Cl2N2S/c1-22-13-9-7-11(8-10-13)14-15(12-5-3-2-4-6-12)20-17(19)21-16(14)18/h2-10H,1H3
SMILES: CSc1ccc(-c2c(Cl)nc(Cl)nc2-c2ccc(Cl)cc2)cc1
SELFIES: [C][S][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][Branch1][C][Cl][N][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C17H11Cl3N2S/c1-23-13-8-4-10(5-9-13)14-15(21-17(20)22-16(14)19)11-2-6-12(18)7-3-11/h2-9H,1H3
SMILES: Cc1ccc(-c2nc(Cl)nc(Cl)c2-c2ccc(Cl)cc2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C17H11Cl3N2/c1-10-2-4-12(5-3-10)15-14(16(19)22-17(20)21-15)11-6-8-13(18)9-7-11/h2-9H,1H3
SMILES: [N-]=[N+]=Nc1nc(C(F)(F)F)nc(-c2ccccc2)c1-c1ccccc1
SELFIES: [N-1][=N+1][=N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C17H10F3N5/c18-17(19,20)16-22-14(12-9-5-2-6-10-12)13(15(23-16)24-25-21)11-7-3-1-4-8-11/h1-10H
SMILES: CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(N=[N+]=[N-])c2-c2ccccc2)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][S][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][Ring2][N][=N+1][=N-1][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C18H12F3N5O2S/c1-29(27,28)13-9-7-12(8-10-13)15-14(11-5-3-2-4-6-11)16(25-26-22)24-17(23-15)18(19,20)21/h2-10H,1H3
SMILES: CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(N=[N+]=[N-])c2-c2ccc(Cl)cc2)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][Ring2][N][=N+1][=N-1][=C][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C18H11ClF3N5O2S/c1-30(28,29)13-8-4-11(5-9-13)15-14(10-2-6-12(19)7-3-10)16(26-27-23)25-17(24-15)18(20,21)22/h2-9H,1H3
SMILES: CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(N=[N+]=[N-])c2-c2ccc(F)cc2)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][Ring2][N][=N+1][=N-1][=C][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C18H11F4N5O2S/c1-30(28,29)13-8-4-11(5-9-13)15-14(10-2-6-12(19)7-3-10)16(26-27-23)25-17(24-15)18(20,21)22/h2-9H,1H3
SMILES: [N-]=[N+]=Nc1nc(N=[N+]=[N-])c(-c2ccccc2)c(-c2ccccc2)n1
SELFIES: [N-1][=N+1][=N][C][=N][C][Branch1][Ring2][N][=N+1][=N-1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1]
InChI: InChI=1S/C16H10N8/c17-23-21-15-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)19-16(20-15)22-24-18/h1-10H
SMILES: [N-]=[N+]=Nc1nc(N=[N+]=[N-])c(-c2ccc(Cl)cc2)c(-c2ccccc2)n1
SELFIES: [N-1][=N+1][=N][C][=N][C][Branch1][Ring2][N][=N+1][=N-1][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C16H9ClN8/c17-12-8-6-10(7-9-12)13-14(11-4-2-1-3-5-11)20-16(23-25-19)21-15(13)22-24-18/h1-9H
SMILES: NNc1nc(C(F)(F)F)nc(-c2ccccc2)c1-c1ccccc1
SELFIES: [N][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C17H13F3N4/c18-17(19,20)16-22-14(12-9-5-2-6-10-12)13(15(23-16)24-21)11-7-3-1-4-8-11/h1-10H,21H2,(H,22,23,24)
SMILES: Cc1ccc(-c2nc(C(F)(F)F)nc(NN)c2-c2ccccc2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][#C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][Ring1][N][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C18H15F3N4/c1-11-7-9-13(10-8-11)15-14(12-5-3-2-4-6-12)16(25-22)24-17(23-15)18(19,20)21/h2-10H,22H2,1H3,(H,23,24,25)
SMILES: NNc1nc(C(F)(F)F)nc(-c2ccc(F)cc2)c1-c1ccccc1
SELFIES: [N][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C17H12F4N4/c18-12-8-6-11(7-9-12)14-13(10-4-2-1-3-5-10)15(25-22)24-16(23-14)17(19,20)21/h1-9H,22H2,(H,23,24,25)
SMILES: CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(NN)c2-c2ccccc2)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][Ring1][N][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C18H15F3N4O2S/c1-28(26,27)13-9-7-12(8-10-13)15-14(11-5-3-2-4-6-11)16(25-22)24-17(23-15)18(19,20)21/h2-10H,22H2,1H3,(H,23,24,25)
SMILES: CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(NN)c2-c2ccc(Cl)cc2)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][Ring1][N][N][=C][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C18H14ClF3N4O2S/c1-29(27,28)13-8-4-11(5-9-13)15-14(10-2-6-12(19)7-3-10)16(26-23)25-17(24-15)18(20,21)22/h2-9H,23H2,1H3,(H,24,25,26)
SMILES: CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(NN)c2-c2ccc(F)cc2)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][Ring1][N][N][=C][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C18H14F4N4O2S/c1-29(27,28)13-8-4-11(5-9-13)15-14(10-2-6-12(19)7-3-10)16(26-23)25-17(24-15)18(20,21)22/h2-9H,23H2,1H3,(H,24,25,26)
SMILES: NNc1nc(Cl)nc(-c2ccccc2)c1-c1ccccc1
SELFIES: [N][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C16H13ClN4/c17-16-19-14(12-9-5-2-6-10-12)13(15(20-16)21-18)11-7-3-1-4-8-11/h1-10H,18H2,(H,19,20,21)
SMILES: CSc1ccc(-c2c(NN)nc(Cl)nc2-c2ccccc2)cc1
SELFIES: [C][S][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][Branch1][Ring1][N][N][N][=C][Branch1][C][Cl][N][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C17H15ClN4S/c1-23-13-9-7-11(8-10-13)14-15(12-5-3-2-4-6-12)20-17(18)21-16(14)22-19/h2-10H,19H2,1H3,(H,20,21,22)
SMILES: NNc1nc(NN)c(-c2ccccc2)c(-c2ccccc2)n1
SELFIES: [N][N][C][=N][C][Branch1][Ring1][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2]
InChI: InChI=1S/C16H16N6/c17-21-15-13(11-7-3-1-4-8-11)14(19-16(20-15)22-18)12-9-5-2-6-10-12/h1-10H,17-18H2,(H2,19,20,21,22)
SMILES: CSc1ccc(-c2c(NN)nc(NN)nc2-c2ccccc2)cc1
SELFIES: [C][S][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][Ring1][N][N][N][=C][Branch1][Ring1][N][N][N][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C17H18N6S/c1-24-13-9-7-11(8-10-13)14-15(12-5-3-2-4-6-12)20-17(23-19)21-16(14)22-18/h2-10H,18-19H2,1H3,(H2,20,21,22,23)
SMILES: CC(=O)NNc1nc(C(F)(F)F)nc(-c2ccccc2)c1-c1ccccc1
SELFIES: [C][C][=Branch1][C][=O][N][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C19H15F3N4O/c1-12(27)25-26-17-15(13-8-4-2-5-9-13)16(14-10-6-3-7-11-14)23-18(24-17)19(20,21)22/h2-11H,1H3,(H,25,27)(H,23,24,26)
SMILES: CC(=O)NNc1nc(C(F)(F)F)nc(-c2ccc(C)cc2)c1-c1ccccc1
SELFIES: [C][C][=Branch1][C][=O][N][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C20H17F3N4O/c1-12-8-10-15(11-9-12)17-16(14-6-4-3-5-7-14)18(27-26-13(2)28)25-19(24-17)20(21,22)23/h3-11H,1-2H3,(H,26,28)(H,24,25,27)
SMILES: CC(=O)NNc1nc(C(F)(F)F)nc(-c2ccc(F)cc2)c1-c1ccccc1
SELFIES: [C][C][=Branch1][C][=O][N][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C19H14F4N4O/c1-11(28)26-27-17-15(12-5-3-2-4-6-12)16(13-7-9-14(20)10-8-13)24-18(25-17)19(21,22)23/h2-10H,1H3,(H,26,28)(H,24,25,27)
SMILES: CC(=O)NNc1nc(C(F)(F)F)nc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccccc1
SELFIES: [C][C][=Branch1][C][=O][N][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C20H17F3N4O3S/c1-12(28)26-27-18-16(13-6-4-3-5-7-13)17(24-19(25-18)20(21,22)23)14-8-10-15(11-9-14)31(2,29)30/h3-11H,1-2H3,(H,26,28)(H,24,25,27)
SMILES: CC(=O)NNc1nc(C(F)(F)F)nc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(Cl)cc1
SELFIES: [C][C][=Branch1][C][=O][N][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C20H16ClF3N4O3S/c1-11(29)27-28-18-16(12-3-7-14(21)8-4-12)17(25-19(26-18)20(22,23)24)13-5-9-15(10-6-13)32(2,30)31/h3-10H,1-2H3,(H,27,29)(H,25,26,28)
SMILES: CC(=O)NNc1nc(C(F)(F)F)nc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1
SELFIES: [C][C][=Branch1][C][=O][N][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C20H16F4N4O3S/c1-11(29)27-28-18-16(12-3-7-14(21)8-4-12)17(25-19(26-18)20(22,23)24)13-5-9-15(10-6-13)32(2,30)31/h3-10H,1-2H3,(H,27,29)(H,25,26,28)
SMILES: CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(NNC(=O)C(F)(F)F)c2-c2ccc(Cl)cc2)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][#C][N][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C20H13ClF6N4O3S/c1-35(33,34)13-8-4-11(5-9-13)15-14(10-2-6-12(21)7-3-10)16(29-17(28-15)19(22,23)24)30-31-18(32)20(25,26)27/h2-9H,1H3,(H,31,32)(H,28,29,30)
SMILES: O=c1nc(Cl)cc(-c2ccccc2)n1-c1ccccc1
SELFIES: [O][=C][N][=C][Branch1][C][Cl][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C16H11ClN2O/c17-15-11-14(12-7-3-1-4-8-12)19(16(20)18-15)13-9-5-2-6-10-13/h1-11H
SMILES: NC(=O)c1nn(Cc2ccccc2F)c2ncccc12
SELFIES: [N][C][=Branch1][C][=O][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1]
InChI: InChI=1S/C14H11FN4O/c15-11-6-2-1-4-9(11)8-19-14-10(5-3-7-17-14)12(18-19)13(16)20/h1-7H,8H2,(H2,16,20)
SMILES: N#Cc1nn(Cc2ccccc2F)c2ncccc12
SELFIES: [N][#C][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1]
InChI: InChI=1S/C14H9FN4/c15-12-6-2-1-4-10(12)9-19-14-11(5-3-7-17-14)13(8-16)18-19/h1-7H,9H2
SMILES: [H]/N=C(\OC)c1nn(Cc2ccccc2F)c2ncccc12
SELFIES: [H][/N][=C][Branch1][Ring1][\O][C][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1]
InChI: InChI=1S/C15H13FN4O/c1-21-14(17)13-11-6-4-8-18-15(11)20(19-13)9-10-5-2-3-7-12(10)16/h2-8,17H,9H2,1H3/b17-14-
SMILES: COc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
SELFIES: [C][O][C][=C][N][=C][Branch2][Ring1][#Branch2][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch1][N]
InChI: InChI=1S/C18H15FN6O/c1-26-14-9-22-17(23-16(14)20)15-12-6-4-8-21-18(12)25(24-15)10-11-5-2-3-7-13(11)19/h2-9H,10H2,1H3,(H2,20,22,23)
SMILES: Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1OS(=O)(=O)CCl
SELFIES: [N][C][=N][C][Branch2][Ring1][#Branch2][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1][=N][C][=C][Ring2][Ring1][#Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Cl]
InChI: InChI=1S/C18H14ClFN6O3S/c19-10-30(27,28)29-14-8-23-17(24-16(14)21)15-12-5-3-7-22-18(12)26(25-15)9-11-4-1-2-6-13(11)20/h1-8H,9-10H2,(H2,21,23,24)
SMILES: CS(=O)(=O)Oc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][N][=C][Branch2][Ring1][#Branch2][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch1][N]
InChI: InChI=1S/C18H15FN6O3S/c1-29(26,27)28-14-9-22-17(23-16(14)20)15-12-6-4-8-21-18(12)25(24-15)10-11-5-2-3-7-13(11)19/h2-9H,10H2,1H3,(H2,20,22,23)
SMILES: CCS(=O)(=O)Oc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
SELFIES: [C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][N][=C][Branch2][Ring1][#Branch2][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch1][N]
InChI: InChI=1S/C19H17FN6O3S/c1-2-30(27,28)29-15-10-23-18(24-17(15)21)16-13-7-5-9-22-19(13)26(25-16)11-12-6-3-4-8-14(12)20/h3-10H,2,11H2,1H3,(H2,21,23,24)
SMILES: Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1OS(=O)(=O)C1CC1
SELFIES: [N][C][=N][C][Branch2][Ring1][#Branch2][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1][=N][C][=C][Ring2][Ring1][#Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C20H17FN6O3S/c21-15-6-2-1-4-12(15)11-27-20-14(5-3-9-23-20)17(26-27)19-24-10-16(18(22)25-19)30-31(28,29)13-7-8-13/h1-6,9-10,13H,7-8,11H2,(H2,22,24,25)
SMILES: CC(C)S(=O)(=O)Oc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
SELFIES: [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][N][=C][Branch2][Ring1][#Branch2][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch1][N]
InChI: InChI=1S/C20H19FN6O3S/c1-12(2)31(28,29)30-16-10-24-19(25-18(16)22)17-14-7-5-9-23-20(14)27(26-17)11-13-6-3-4-8-15(13)21/h3-10,12H,11H2,1-2H3,(H2,22,24,25)
SMILES: CCCCCS(=O)(=O)Oc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
SELFIES: [C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][N][=C][Branch2][Ring1][#Branch2][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch1][N]
InChI: InChI=1S/C22H23FN6O3S/c1-2-3-6-12-33(30,31)32-18-13-26-21(27-20(18)24)19-16-9-7-11-25-22(16)29(28-19)14-15-8-4-5-10-17(15)23/h4-5,7-11,13H,2-3,6,12,14H2,1H3,(H2,24,26,27)
SMILES: Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1OS(=O)(=O)CCCC(F)(F)F
SELFIES: [N][C][=N][C][Branch2][Ring1][#Branch2][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1][=N][C][=C][Ring2][Ring1][#Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][F]
InChI: InChI=1S/C21H18F4N6O3S/c22-15-7-2-1-5-13(15)12-31-20-14(6-3-9-27-20)17(30-31)19-28-11-16(18(26)29-19)34-35(32,33)10-4-8-21(23,24)25/h1-3,5-7,9,11H,4,8,10,12H2,(H2,26,28,29)
SMILES: CCCCS(=O)(=O)Oc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
SELFIES: [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][N][=C][Branch2][Ring1][#Branch2][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch1][N]
InChI: InChI=1S/C21H21FN6O3S/c1-2-3-11-32(29,30)31-17-12-25-20(26-19(17)23)18-15-8-6-10-24-21(15)28(27-18)13-14-7-4-5-9-16(14)22/h4-10,12H,2-3,11,13H2,1H3,(H2,23,25,26)
SMILES: CCCS(=O)(=O)Oc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
SELFIES: [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][N][=C][Branch2][Ring1][#Branch2][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch1][N]
InChI: InChI=1S/C20H19FN6O3S/c1-2-10-31(28,29)30-16-11-24-19(25-18(16)22)17-14-7-5-9-23-20(14)27(26-17)12-13-6-3-4-8-15(13)21/h3-9,11H,2,10,12H2,1H3,(H2,22,24,25)
SMILES: Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1OS(=O)(=O)c1ccccc1
SELFIES: [N][C][=N][C][Branch2][Ring1][#Branch2][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1][=N][C][=C][Ring2][Ring1][#Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C23H17FN6O3S/c24-18-11-5-4-7-15(18)14-30-23-17(10-6-12-26-23)20(29-30)22-27-13-19(21(25)28-22)33-34(31,32)16-8-2-1-3-9-16/h1-13H,14H2,(H2,25,27,28)
SMILES: CCCn1c(=O)c2c(ncn2Cc2ccccc2)n(CCC)c1=O
SELFIES: [C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][#C][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][C][C][C][Ring2][Ring1][Ring2][=O]
InChI: InChI=1S/C18H22N4O2/c1-3-10-21-16-15(17(23)22(11-4-2)18(21)24)20(13-19-16)12-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3
SMILES: CCCn1c(=O)c2c(nc(Cl)n2Cc2ccccc2)n(CCC)c1=O
SELFIES: [C][C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][N][=C][Branch1][C][Cl][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][C][C][C][Ring2][Ring1][Branch1][=O]
InChI: InChI=1S/C18H21ClN4O2/c1-3-10-21-15-14(16(24)22(11-4-2)18(21)25)23(17(19)20-15)12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
SMILES: CCCn1c(=O)c2c(nc(-c3ccc(O)cc3)n2Cc2ccccc2)n(CCC)c1=O
SELFIES: [C][C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][C][C][C][Ring2][Ring1][O][=O]
InChI: InChI=1S/C24H26N4O3/c1-3-14-26-22-20(23(30)27(15-4-2)24(26)31)28(16-17-8-6-5-7-9-17)21(25-22)18-10-12-19(29)13-11-18/h5-13,29H,3-4,14-16H2,1-2H3
SMILES: CCCn1c(=O)c2c(nc(-c3ccc(O)cc3)n2C(=O)OC(C)(C)C)n(CCC)c1=O
SELFIES: [C][C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][S][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][Ring1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][Ring2][C][C][C][C][Ring2][Ring1][O][=O]
InChI: InChI=1S/C22H28N4O5/c1-6-12-24-18-16(19(28)25(13-7-2)20(24)29)26(21(30)31-22(3,4)5)17(23-18)14-8-10-15(27)11-9-14/h8-11,27H,6-7,12-13H2,1-5H3
SMILES: CCCn1c(=O)c2c(nc(-c3ccc(OCC#N)cc3)n2COCc2ccccc2)n(CCC)c1=O
SELFIES: [C][C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][P][N][=C][Branch1][#C][C][=C][C][=C][Branch1][Branch1][O][C][C][#N][C][=C][Ring1][#Branch2][N][Ring1][#C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][C][C][C][Ring2][Ring1][S][=O]
InChI: InChI=1S/C27H29N5O4/c1-3-15-30-25-23(26(33)31(16-4-2)27(30)34)32(19-35-18-20-8-6-5-7-9-20)24(29-25)21-10-12-22(13-11-21)36-17-14-28/h5-13H,3-4,15-19H2,1-2H3
SMILES: CCCn1c(=O)c2[nH]c(-c3cnn(CCCc4ccccc4)c3)nc2n(CCC)c1=O
SELFIES: [C][C][C][N][C][=Branch1][C][=O][C][NH1][C][Branch2][Ring1][Branch1][C][C][=N][N][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=C][=N][C][=Ring2][Ring1][Ring1][N][Branch1][Ring2][C][C][C][C][Ring2][Ring1][O][=O]
InChI: InChI=1S/C23H28N6O2/c1-3-12-28-21-19(22(30)29(13-4-2)23(28)31)25-20(26-21)18-15-24-27(16-18)14-8-11-17-9-6-5-7-10-17/h5-7,9-10,15-16H,3-4,8,11-14H2,1-2H3,(H,25,26)
SMILES: CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CCC)c1=O
SELFIES: [C][C][C][N][C][=Branch1][C][=O][C][NH1][C][Branch2][Ring1][Ring1][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][=N][C][=Ring1][P][N][Branch1][Ring2][C][C][C][C][Ring2][Ring1][=Branch2][=O]
InChI: InChI=1S/C21H24N6O2/c1-3-10-26-19-17(20(28)27(11-4-2)21(26)29)23-18(24-19)16-12-22-25(14-16)13-15-8-6-5-7-9-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,23,24)
SMILES: CCCn1c(=O)c2c(nc(-c3cnn(Cc4ccccc4)c3)n2CCO)n(CCC)c1=O
SELFIES: [C][C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=C][N][=C][Branch2][Ring1][Ring1][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][N][Ring1][P][C][C][O][N][Branch1][Ring2][C][C][C][C][Ring2][Ring1][N][=O]
InChI: InChI=1S/C23H28N6O3/c1-3-10-28-21-19(22(31)29(11-4-2)23(28)32)27(12-13-30)20(25-21)18-14-24-26(16-18)15-17-8-6-5-7-9-17/h5-9,14,16,30H,3-4,10-13,15H2,1-2H3
SMILES: COc1ccccc1-c1nc(COc2ccc(C(=O)O)cc2)no1
SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch2][Ring1][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=N][O][Ring1][S]
InChI: InChI=1S/C17H14N2O5/c1-22-14-5-3-2-4-13(14)16-18-15(19-24-16)10-23-12-8-6-11(7-9-12)17(20)21/h2-9H,10H2,1H3,(H,20,21)
SMILES: CCCCn1c(=O)cc(N)[nH]c1=O
SELFIES: [C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][N][NH1][C][Ring1][Branch2][=O]
InChI: InChI=1S/C8H13N3O2/c1-2-3-4-11-7(12)5-6(9)10-8(11)13/h5H,2-4,9H2,1H3,(H,10,13)