EdisonScientific/glyph-datasets huggingface dataset:
SMILES: FC(F)(F)c1ccc(Nc2cc(-c3ccc4c(c3)CCO4)ncn2)cc1
SELFIES: [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][O][N][C][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][=N][C][=N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C19H14F3N3O/c20-19(21,22)14-2-4-15(5-3-14)25-18-10-16(23-11-24-18)12-1-6-17-13(9-12)7-8-26-17/h1-6,9-11H,7-8H2,(H,23,24,25)
SMILES: FC(F)(F)c1ccc(Nc2cc(-c3cccc4cnccc34)ncn2)cc1
SELFIES: [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][#C][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][C][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C20H13F3N4/c21-20(22,23)14-4-6-15(7-5-14)27-19-10-18(25-12-26-19)17-3-1-2-13-11-24-9-8-16(13)17/h1-12H,(H,25,26,27)
SMILES: FC(F)(F)c1ccc(Nc2cc(-c3ccc4cccnc4c3)ncn2)cc1
SELFIES: [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C20H13F3N4/c21-20(22,23)15-5-7-16(8-6-15)27-19-11-18(25-12-26-19)14-4-3-13-2-1-9-24-17(13)10-14/h1-12H,(H,25,26,27)
SMILES: FC(F)(F)c1ccc(Oc2cc(Cl)ncn2)cc1
SELFIES: [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][=N][O][C][=C][C][Branch1][C][Cl][=N][C][=N][Ring1][#Branch1][C][=C][Ring1][=C]
InChI: InChI=1S/C11H6ClF3N2O/c12-9-5-10(17-6-16-9)18-8-3-1-7(2-4-8)11(13,14)15/h1-6H
SMILES: CSc1nc(Cl)c(C=O)c(Nc2c(F)cccc2F)n1
SELFIES: [C][S][C][=N][C][Branch1][C][Cl][=C][Branch1][Ring1][C][=O][C][Branch1][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][C]
InChI: InChI=1S/C12H8ClF2N3OS/c1-20-12-17-10(13)6(5-19)11(18-12)16-9-7(14)3-2-4-8(9)15/h2-5H,1H3,(H,16,17,18)
SMILES: CSc1nc(Cl)c(C=O)c(Nc2ccccc2Cl)n1
SELFIES: [C][S][C][=N][C][Branch1][C][Cl][=C][Branch1][Ring1][C][=O][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][P]
InChI: InChI=1S/C12H9Cl2N3OS/c1-19-12-16-10(14)7(6-18)11(17-12)15-9-5-3-2-4-8(9)13/h2-6H,1H3,(H,15,16,17)
SMILES: CSc1nc(Cl)c(C=O)c(Nc2ccccc2F)n1
SELFIES: [C][S][C][=N][C][Branch1][C][Cl][=C][Branch1][Ring1][C][=O][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][P]
InChI: InChI=1S/C12H9ClFN3OS/c1-19-12-16-10(13)7(6-18)11(17-12)15-9-5-3-2-4-8(9)14/h2-6H,1H3,(H,15,16,17)
SMILES: CCC(CC)Nc1nc(SC)nc(Cl)c1C=O
SELFIES: [C][C][C][Branch1][Ring1][C][C][N][C][=N][C][Branch1][Ring1][S][C][=N][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][=O]
InChI: InChI=1S/C11H16ClN3OS/c1-4-7(5-2)13-10-8(6-16)9(12)14-11(15-10)17-3/h6-7H,4-5H2,1-3H3,(H,13,14,15)
SMILES: CSc1nc(Cl)c(C=O)c(NC(C)C)n1
SELFIES: [C][S][C][=N][C][Branch1][C][Cl][=C][Branch1][Ring1][C][=O][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][=N]
InChI: InChI=1S/C9H12ClN3OS/c1-5(2)11-8-6(4-14)7(10)12-9(13-8)15-3/h4-5H,1-3H3,(H,11,12,13)
SMILES: CSc1nc(Cl)c(C=O)c(NC2CC2)n1
SELFIES: [C][S][C][=N][C][Branch1][C][Cl][=C][Branch1][Ring1][C][=O][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=N][Ring1][=N]
InChI: InChI=1S/C9H10ClN3OS/c1-15-9-12-7(10)6(4-14)8(13-9)11-5-2-3-5/h4-5H,2-3H2,1H3,(H,11,12,13)
SMILES: CCC(C)Nc1nc(SC)nc(Cl)c1C=O
SELFIES: [C][C][C][Branch1][C][C][N][C][=N][C][Branch1][Ring1][S][C][=N][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][=O]
InChI: InChI=1S/C10H14ClN3OS/c1-4-6(2)12-9-7(5-15)8(11)13-10(14-9)16-3/h5-6H,4H2,1-3H3,(H,12,13,14)
SMILES: CSc1nc(Cl)c(C=O)c(NCC2CC2)n1
SELFIES: [C][S][C][=N][C][Branch1][C][Cl][=C][Branch1][Ring1][C][=O][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][=N][Ring1][=C]
InChI: InChI=1S/C10H12ClN3OS/c1-16-10-13-8(11)7(5-15)9(14-10)12-4-6-2-3-6/h5-6H,2-4H2,1H3,(H,12,13,14)
SMILES: CSc1nc(N)c(C=O)c(Cl)n1
SELFIES: [C][S][C][=N][C][Branch1][C][N][=C][Branch1][Ring1][C][=O][C][Branch1][C][Cl][=N][Ring1][#Branch2]
InChI: InChI=1S/C6H6ClN3OS/c1-12-6-9-4(7)3(2-11)5(8)10-6/h2H,1H3,(H2,8,9,10)
SMILES: CSc1nc(Nc2ccccc2)c(C=O)c(-c2ccccc2)n1
SELFIES: [C][S][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Ring1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1]
InChI: InChI=1S/C18H15N3OS/c1-23-18-20-16(13-8-4-2-5-9-13)15(12-22)17(21-18)19-14-10-6-3-7-11-14/h2-12H,1H3,(H,19,20,21)
SMILES: CSc1nc(Nc2c(F)cccc2F)c(C=O)c(-c2ccc(F)cc2C)n1
SELFIES: [C][S][C][=N][C][Branch1][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][Branch1][Ring1][C][=O][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C19H14F3N3OS/c1-10-8-11(20)6-7-12(10)16-13(9-26)18(25-19(24-16)27-2)23-17-14(21)4-3-5-15(17)22/h3-9H,1-2H3,(H,23,24,25)
SMILES: CCC(CC)Nc1nc(SC)nc(-c2ccc(F)cc2C)c1C=O
SELFIES: [C][C][C][Branch1][Ring1][C][C][N][C][=N][C][Branch1][Ring1][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][S][C][=O]
InChI: InChI=1S/C18H22FN3OS/c1-5-13(6-2)20-17-15(10-23)16(21-18(22-17)24-4)14-8-7-12(19)9-11(14)3/h7-10,13H,5-6H2,1-4H3,(H,20,21,22)
SMILES: CCC(CC)Nc1nc(SC)nc(-c2ccccc2Cl)c1C=O
SELFIES: [C][C][C][Branch1][Ring1][C][C][N][C][=N][C][Branch1][Ring1][S][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][#C][C][=O]
InChI: InChI=1S/C17H20ClN3OS/c1-4-11(5-2)19-16-13(10-22)15(20-17(21-16)23-3)12-8-6-7-9-14(12)18/h6-11H,4-5H2,1-3H3,(H,19,20,21)
SMILES: CSc1nc(Nc2ccccc2Cl)c(C=O)c(-c2ccccc2Cl)n1
SELFIES: [C][S][C][=N][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Branch1][Ring1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C18H13Cl2N3OS/c1-25-18-22-16(11-6-2-3-7-13(11)19)12(10-24)17(23-18)21-15-9-5-4-8-14(15)20/h2-10H,1H3,(H,21,22,23)
SMILES: CSc1nc(Nc2ccccc2Cl)c(C=O)c(-c2ccccc2F)n1
SELFIES: [C][S][C][=N][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Branch1][Ring1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C18H13ClFN3OS/c1-25-18-22-16(11-6-2-4-8-14(11)20)12(10-24)17(23-18)21-15-9-5-3-7-13(15)19/h2-10H,1H3,(H,21,22,23)
SMILES: CSc1nc(NC(C)C)c(C=O)c(-c2ccccc2F)n1
SELFIES: [C][S][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=C][Branch1][Ring1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][Ring1]
InChI: InChI=1S/C15H16FN3OS/c1-9(2)17-14-11(8-20)13(18-15(19-14)21-3)10-6-4-5-7-12(10)16/h4-9H,1-3H3,(H,17,18,19)
SMILES: CSc1nc(NC2CC2)c(C=O)c(-c2ccccc2F)n1
SELFIES: [C][S][C][=N][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=C][Branch1][Ring1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][Ring1]
InChI: InChI=1S/C15H14FN3OS/c1-21-15-18-13(10-4-2-3-5-12(10)16)11(8-20)14(19-15)17-9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,17,18,19)
SMILES: CSc1nc(NCC2CC2)c(C=O)c(-c2ccccc2F)n1
SELFIES: [C][S][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][=C][Branch1][Ring1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][Ring2]
InChI: InChI=1S/C16H16FN3OS/c1-22-16-19-14(11-4-2-3-5-13(11)17)12(9-21)15(20-16)18-8-10-6-7-10/h2-5,9-10H,6-8H2,1H3,(H,18,19,20)
SMILES: CSc1nc(Nc2c(F)cccc2F)c(C=O)c(-c2ccccc2F)n1
SELFIES: [C][S][C][=N][C][Branch1][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][Branch1][Ring1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][Branch2]
InChI: InChI=1S/C18H12F3N3OS/c1-26-18-23-15(10-5-2-3-6-12(10)19)11(9-25)17(24-18)22-16-13(20)7-4-8-14(16)21/h2-9H,1H3,(H,22,23,24)
SMILES: CSc1nc(Nc2ccccc2F)c(C=O)c(-c2ccccc2F)n1
SELFIES: [C][S][C][=N][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Branch1][Ring1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C18H13F2N3OS/c1-25-18-22-16(11-6-2-3-7-13(11)19)12(10-24)17(23-18)21-15-9-5-4-8-14(15)20/h2-10H,1H3,(H,21,22,23)
SMILES: CCC(C)Nc1nc(SC)nc(-c2ccccc2F)c1C=O
SELFIES: [C][C][C][Branch1][C][C][N][C][=N][C][Branch1][Ring1][S][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][#C][C][=O]
InChI: InChI=1S/C16H18FN3OS/c1-4-10(2)18-15-12(9-21)14(19-16(20-15)22-3)11-7-5-6-8-13(11)17/h5-10H,4H2,1-3H3,(H,18,19,20)
SMILES: CSc1nc(NC(C)C)c(C=O)c(-c2ccc(F)cc2C)n1
SELFIES: [C][S][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=C][Branch1][Ring1][C][=O][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][Ring2]
InChI: InChI=1S/C16H18FN3OS/c1-9(2)18-15-13(8-21)14(19-16(20-15)22-4)12-6-5-11(17)7-10(12)3/h5-9H,1-4H3,(H,18,19,20)
SMILES: CSc1nc(NC2CC2)c(C=O)c(-c2ccc(F)cc2C)n1
SELFIES: [C][S][C][=N][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=C][Branch1][Ring1][C][=O][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][Ring2]
InChI: InChI=1S/C16H16FN3OS/c1-9-7-10(17)3-6-12(9)14-13(8-21)15(18-11-4-5-11)20-16(19-14)22-2/h3,6-8,11H,4-5H2,1-2H3,(H,18,19,20)
SMILES: CSc1nc(NCC2CC2)c(C=O)c(-c2ccc(F)cc2C)n1
SELFIES: [C][S][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][=C][Branch1][Ring1][C][=O][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][Branch1]
InChI: InChI=1S/C17H18FN3OS/c1-10-7-12(18)5-6-13(10)15-14(9-22)16(19-8-11-3-4-11)21-17(20-15)23-2/h5-7,9,11H,3-4,8H2,1-2H3,(H,19,20,21)
SMILES: CSc1nc(Nc2ccccc2F)c(C=O)c(-c2ccc(F)cc2C)n1
SELFIES: [C][S][C][=N][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Branch1][Ring1][C][=O][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][Branch2]
InChI: InChI=1S/C19H15F2N3OS/c1-11-9-12(20)7-8-13(11)17-14(10-25)18(24-19(23-17)26-2)22-16-6-4-3-5-15(16)21/h3-10H,1-2H3,(H,22,23,24)
SMILES: CCC(C)Nc1nc(SC)nc(-c2ccc(F)cc2C)c1C=O
SELFIES: [C][C][C][Branch1][C][C][N][C][=N][C][Branch1][Ring1][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][S][C][=O]
InChI: InChI=1S/C17H20FN3OS/c1-5-11(3)19-16-14(9-22)15(20-17(21-16)23-4)13-7-6-12(18)8-10(13)2/h6-9,11H,5H2,1-4H3,(H,19,20,21)
SMILES: CSc1nc(-c2ccccc2)c2ccc(=O)n(-c3ccccc3)c2n1
SELFIES: [C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=N][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C20H15N3OS/c1-25-20-21-18(14-8-4-2-5-9-14)16-12-13-17(24)23(19(16)22-20)15-10-6-3-7-11-15/h2-13H,1H3
SMILES: CCOC(=O)/C=C/c1c(Nc2c(F)cccc2F)nc(SC)nc1-c1ccc(F)cc1C
SELFIES: [C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][Branch1][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][P][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C]
InChI: InChI=1S/C23H20F3N3O2S/c1-4-31-19(30)11-10-16-20(15-9-8-14(24)12-13(15)2)28-23(32-3)29-22(16)27-21-17(25)6-5-7-18(21)26/h5-12H,4H2,1-3H3,(H,27,28,29)/b11-10+
SMILES: CSc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][Ring1][#C][=N][Ring2][Ring1][O]
InChI: InChI=1S/C21H14F3N3OS/c1-11-10-12(22)6-7-13(11)18-14-8-9-17(28)27(20(14)26-21(25-18)29-2)19-15(23)4-3-5-16(19)24/h3-10H,1-2H3
SMILES: CSc1nc(-c2ccccc2F)c2ccc(=O)n(-c3ccccc3F)c2n1
SELFIES: [C][S][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=C][=N][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H13F2N3OS/c1-27-20-23-18(12-6-2-3-7-14(12)21)13-10-11-17(26)25(19(13)24-20)16-9-5-4-8-15(16)22/h2-11H,1H3
SMILES: CSc1nc(-c2ccccc2F)c2ccc(=O)n(-c3ccccc3Cl)c2n1
SELFIES: [C][S][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][=C][=N][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H13ClFN3OS/c1-27-20-23-18(12-6-2-4-8-15(12)22)13-10-11-17(26)25(19(13)24-20)16-9-5-3-7-14(16)21/h2-11H,1H3
SMILES: CSc1nc(-c2ccccc2Cl)c2ccc(=O)n(-c3ccccc3Cl)c2n1
SELFIES: [C][S][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][=C][=N][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H13Cl2N3OS/c1-27-20-23-18(12-6-2-3-7-14(12)21)13-10-11-17(26)25(19(13)24-20)16-9-5-4-8-15(16)22/h2-11H,1H3
SMILES: CSc1nc(-c2ccccc2F)c2ccc(=O)n(CC3CC3)c2n1
SELFIES: [C][S][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][O][=N][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C18H16FN3OS/c1-24-18-20-16(12-4-2-3-5-14(12)19)13-8-9-15(23)22(17(13)21-18)10-11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3
SMILES: CSc1nc(-c2ccccc2F)c2ccc(=O)n(C3CC3)c2n1
SELFIES: [C][S][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][=N][Ring2][Ring1][Branch1]
InChI: InChI=1S/C17H14FN3OS/c1-23-17-19-15(11-4-2-3-5-13(11)18)12-8-9-14(22)21(10-6-7-10)16(12)20-17/h2-5,8-10H,6-7H2,1H3
SMILES: CCC(C)n1c(=O)ccc2c(-c3ccccc3F)nc(SC)nc21
SELFIES: [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][#C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C18H18FN3OS/c1-4-11(2)22-15(23)10-9-13-16(12-7-5-6-8-14(12)19)20-18(24-3)21-17(13)22/h5-11H,4H2,1-3H3
SMILES: CSc1nc(-c2ccccc2F)c2ccc(=O)n(C(C)C)c2n1
SELFIES: [C][S][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][#Branch2][=N][Ring2][Ring1][Branch1]
InChI: InChI=1S/C17H16FN3OS/c1-10(2)21-14(22)9-8-12-15(11-6-4-5-7-13(11)18)19-17(23-3)20-16(12)21/h4-10H,1-3H3
SMILES: CSc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(CC3CC3)c2n1
SELFIES: [C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][O][=N][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C19H18FN3OS/c1-11-9-13(20)5-6-14(11)17-15-7-8-16(24)23(10-12-3-4-12)18(15)22-19(21-17)25-2/h5-9,12H,3-4,10H2,1-2H3
SMILES: CSc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(C3CC3)c2n1
SELFIES: [C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][=N][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C18H16FN3OS/c1-10-9-11(19)3-6-13(10)16-14-7-8-15(23)22(12-4-5-12)17(14)21-18(20-16)24-2/h3,6-9,12H,4-5H2,1-2H3
SMILES: CCC(C)n1c(=O)ccc2c(-c3ccc(F)cc3C)nc(SC)nc21
SELFIES: [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][S][Ring2][Ring1][Branch1]
InChI: InChI=1S/C19H20FN3OS/c1-5-12(3)23-16(24)9-8-15-17(21-19(25-4)22-18(15)23)14-7-6-13(20)10-11(14)2/h6-10,12H,5H2,1-4H3
SMILES: CSc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(C(C)C)c2n1
SELFIES: [C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][#Branch2][=N][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C18H18FN3OS/c1-10(2)22-15(23)8-7-14-16(20-18(24-4)21-17(14)22)13-6-5-12(19)9-11(13)3/h5-10H,1-4H3
SMILES: CSc1nc(-c2ccccc2F)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [C][S][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][Ring1][#C][=N][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C20H12F3N3OS/c1-28-20-24-17(11-5-2-3-6-13(11)21)12-9-10-16(27)26(19(12)25-20)18-14(22)7-4-8-15(18)23/h2-10H,1H3
SMILES: CCC(CC)n1c(=O)ccc2c(-c3ccccc3Cl)nc(SC)nc21
SELFIES: [C][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][#C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C19H20ClN3OS/c1-4-12(5-2)23-16(24)11-10-14-17(13-8-6-7-9-15(13)20)21-19(25-3)22-18(14)23/h6-12H,4-5H2,1-3H3
SMILES: CSc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3ccccc3F)c2n1
SELFIES: [C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=C][=N][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C21H15F2N3OS/c1-12-11-13(22)7-8-14(12)19-15-9-10-18(27)26(17-6-4-3-5-16(17)23)20(15)25-21(24-19)28-2/h3-11H,1-2H3
SMILES: CS(=O)(=O)c1nc(-c2ccccc2)c2ccc(=O)n(-c3ccccc3)c2n1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=N][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C20H15N3O3S/c1-27(25,26)20-21-18(14-8-4-2-5-9-14)16-12-13-17(24)23(19(16)22-20)15-10-6-3-7-11-15/h2-13H,1H3
SMILES: CS(=O)(=O)c1nc(-c2ccccc2Cl)c2ccc(=O)n(-c3ccccc3Cl)c2n1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][=C][=N][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H13Cl2N3O3S/c1-29(27,28)20-23-18(12-6-2-3-7-14(12)21)13-10-11-17(26)25(19(13)24-20)16-9-5-4-8-15(16)22/h2-11H,1H3
SMILES: Cc1cc(F)ccc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C21H14F3N3O3S/c1-11-10-12(22)6-7-13(11)18-14-8-9-17(28)27(19-15(23)4-3-5-16(19)24)20(14)26-21(25-18)31(2,29)30/h3-10H,1-2H3
SMILES: CS(=O)(=O)c1nc(-c2ccccc2F)c2ccc(=O)n(-c3ccccc3F)c2n1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=C][=N][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H13F2N3O3S/c1-29(27,28)20-23-18(12-6-2-3-7-14(12)21)13-10-11-17(26)25(19(13)24-20)16-9-5-4-8-15(16)22/h2-11H,1H3
SMILES: CS(=O)(=O)c1nc(-c2ccccc2F)c2ccc(=O)n(CC3CC3)c2n1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][O][=N][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C18H16FN3O3S/c1-26(24,25)18-20-16(12-4-2-3-5-14(12)19)13-8-9-15(23)22(17(13)21-18)10-11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3
SMILES: CCC(C)n1c(=O)ccc2c(-c3ccccc3F)nc(S(C)(=O)=O)nc21
SELFIES: [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][N][=C][Ring1][P][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C18H18FN3O3S/c1-4-11(2)22-15(23)10-9-13-16(12-7-5-6-8-14(12)19)20-18(21-17(13)22)26(3,24)25/h5-11H,4H2,1-3H3
SMILES: CC(C)n1c(=O)ccc2c(-c3ccccc3F)nc(S(C)(=O)=O)nc21
SELFIES: [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][N][=C][Ring1][P][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C17H16FN3O3S/c1-10(2)21-14(22)9-8-12-15(11-6-4-5-7-13(11)18)19-17(20-16(12)21)25(3,23)24/h4-10H,1-3H3
SMILES: Cc1cc(F)ccc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2CC1CC1
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C19H18FN3O3S/c1-11-9-13(20)5-6-14(11)17-15-7-8-16(24)23(10-12-3-4-12)18(15)22-19(21-17)27(2,25)26/h5-9,12H,3-4,10H2,1-2H3
SMILES: Cc1cc(F)ccc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2C1CC1
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C18H16FN3O3S/c1-10-9-11(19)3-6-13(10)16-14-7-8-15(23)22(12-4-5-12)17(14)21-18(20-16)26(2,24)25/h3,6-9,12H,4-5H2,1-2H3
SMILES: CCC(C)n1c(=O)ccc2c(-c3ccc(F)cc3C)nc(S(C)(=O)=O)nc21
SELFIES: [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][N][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][N][=C][Ring2][Ring1][C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C19H20FN3O3S/c1-5-12(3)23-16(24)9-8-15-17(14-7-6-13(20)10-11(14)2)21-19(22-18(15)23)27(4,25)26/h6-10,12H,5H2,1-4H3
SMILES: Cc1cc(F)ccc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2C(C)C
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Branch1][C][C][C]
InChI: InChI=1S/C18H18FN3O3S/c1-10(2)22-15(23)8-7-14-16(13-6-5-12(19)9-11(13)3)20-18(21-17(14)22)26(4,24)25/h5-10H,1-4H3
SMILES: CS(=O)(=O)c1nc(-c2ccccc2F)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][Ring1][#C][=N][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C20H12F3N3O3S/c1-30(28,29)20-24-17(11-5-2-3-6-13(11)21)12-9-10-16(27)26(19(12)25-20)18-14(22)7-4-8-15(18)23/h2-10H,1H3
SMILES: CCC(CC)n1c(=O)ccc2c(-c3ccccc3Cl)nc(S(C)(=O)=O)nc21
SELFIES: [C][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][N][=C][Ring1][P][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C19H20ClN3O3S/c1-4-12(5-2)23-16(24)11-10-14-17(13-8-6-7-9-15(13)20)21-19(22-18(14)23)27(3,25)26/h6-12H,4-5H2,1-3H3
SMILES: Cc1cc(F)ccc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2-c1ccccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
InChI: InChI=1S/C21H15F2N3O3S/c1-12-11-13(22)7-8-14(12)19-15-9-10-18(27)26(17-6-4-3-5-16(17)23)20(15)25-21(24-19)30(2,28)29/h3-11H,1-2H3
SMILES: CCN(CC)CCNc1nc(-c2ccccc2)c2ccc(=O)n(-c3ccccc3)c2n1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=N][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C25H27N5O/c1-3-29(4-2)18-17-26-25-27-23(19-11-7-5-8-12-19)21-15-16-22(31)30(24(21)28-25)20-13-9-6-10-14-20/h5-16H,3-4,17-18H2,1-2H3,(H,26,27,28)
SMILES: CCN(CC)CCNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][N][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][Ring1][#C][=N][Ring2][Ring1][O]
InChI: InChI=1S/C26H26F3N5O/c1-4-33(5-2)14-13-30-26-31-23(18-10-9-17(27)15-16(18)3)19-11-12-22(35)34(25(19)32-26)24-20(28)7-6-8-21(24)29/h6-12,15H,4-5,13-14H2,1-3H3,(H,30,31,32)