EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCN(CC)CCNc1nc(-c2ccccc2Cl)c2ccc(=O)n(-c3ccccc3Cl)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][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/C25H25Cl2N5O/c1-3-31(4-2)16-15-28-25-29-23(17-9-5-6-10-19(17)26)18-13-14-22(33)32(24(18)30-25)21-12-8-7-11-20(21)27/h5-14H,3-4,15-16H2,1-2H3,(H,28,29,30)
SMILES: CCN(CC)CCNc1nc(-c2ccccc2F)c2ccc(=O)n(-c3ccccc3Cl)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][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/C25H25ClFN5O/c1-3-31(4-2)16-15-28-25-29-23(17-9-5-7-11-20(17)27)18-13-14-22(33)32(24(18)30-25)21-12-8-6-10-19(21)26/h5-14H,3-4,15-16H2,1-2H3,(H,28,29,30)
SMILES: Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][N][C][Branch1][Ring1][C][O][C][O][=N][C][=C][Ring1][N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C23H19F3N4O3/c1-12-9-13(24)5-6-15(12)20-16-7-8-19(33)30(21-17(25)3-2-4-18(21)26)22(16)29-23(28-20)27-14(10-31)11-32/h2-9,14,31-32H,10-11H2,1H3,(H,27,28,29)
SMILES: O=c1ccc2c(-c3ccccc3Cl)nc(NC(CO)CO)nc2n1-c1ccccc1Cl
SELFIES: [O][=C][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=C][Branch1][=Branch2][N][C][Branch1][Ring1][C][O][C][O][N][=C][Ring2][Ring1][Ring1][N][Ring2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
InChI: InChI=1S/C22H18Cl2N4O3/c23-16-6-2-1-5-14(16)20-15-9-10-19(31)28(18-8-4-3-7-17(18)24)21(15)27-22(26-20)25-13(11-29)12-30/h1-10,13,29-30H,11-12H2,(H,25,26,27)
SMILES: CCC(CC)n1c(=O)ccc2c(-c3ccccc3F)nc(NC(CO)CO)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][F][N][=C][Branch1][=Branch2][N][C][Branch1][Ring1][C][O][C][O][N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][Branch2]
InChI: InChI=1S/C21H25FN4O3/c1-3-14(4-2)26-18(29)10-9-16-19(15-7-5-6-8-17(15)22)24-21(25-20(16)26)23-13(11-27)12-28/h5-10,13-14,27-28H,3-4,11-12H2,1-2H3,(H,23,24,25)
SMILES: CCC(CC)n1c(=O)ccc2c(-c3ccccc3Cl)nc(NC(CO)CO)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][N][C][Branch1][Ring1][C][O][C][O][N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][Branch2]
InChI: InChI=1S/C21H25ClN4O3/c1-3-14(4-2)26-18(29)10-9-16-19(15-7-5-6-8-17(15)22)24-21(25-20(16)26)23-13(11-27)12-28/h5-10,13-14,27-28H,3-4,11-12H2,1-2H3,(H,23,24,25)
SMILES: CC(C)n1c(=O)ccc2c(-c3ccccc3F)nc(NC(CO)CO)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][N][C][Branch1][Ring1][C][O][C][O][N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][Branch2]
InChI: InChI=1S/C19H21FN4O3/c1-11(2)24-16(27)8-7-14-17(13-5-3-4-6-15(13)20)22-19(23-18(14)24)21-12(9-25)10-26/h3-8,11-12,25-26H,9-10H2,1-2H3,(H,21,22,23)
SMILES: Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2C1CC1
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][N][C][Branch1][Ring1][C][O][C][O][=N][C][=C][Ring1][N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C20H21FN4O3/c1-11-8-12(21)2-5-15(11)18-16-6-7-17(28)25(14-3-4-14)19(16)24-20(23-18)22-13(9-26)10-27/h2,5-8,13-14,26-27H,3-4,9-10H2,1H3,(H,22,23,24)
SMILES: O=c1ccc2c(-c3ccccc3F)nc(NC(CO)CO)nc2n1CC1CC1
SELFIES: [O][=C][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=C][Branch1][=Branch2][N][C][Branch1][Ring1][C][O][C][O][N][=C][Ring2][Ring1][Ring1][N][Ring2][Ring1][#Branch1][C][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C20H21FN4O3/c21-16-4-2-1-3-14(16)18-15-7-8-17(28)25(9-12-5-6-12)19(15)24-20(23-18)22-13(10-26)11-27/h1-4,7-8,12-13,26-27H,5-6,9-11H2,(H,22,23,24)
SMILES: CCC(C)n1c(=O)ccc2c(-c3ccc(F)cc3C)nc(NC(CO)CO)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][N][C][Branch1][Ring1][C][O][C][O][N][=C][Ring2][Ring1][Ring2][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C21H25FN4O3/c1-4-13(3)26-18(29)8-7-17-19(16-6-5-14(22)9-12(16)2)24-21(25-20(17)26)23-15(10-27)11-28/h5-9,13,15,27-28H,4,10-11H2,1-3H3,(H,23,24,25)
SMILES: Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1ccccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][N][C][Branch1][Ring1][C][O][C][O][=N][C][=C][Ring1][N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
InChI: InChI=1S/C23H20F2N4O3/c1-13-10-14(24)6-7-16(13)21-17-8-9-20(32)29(19-5-3-2-4-18(19)25)22(17)28-23(27-21)26-15(11-30)12-31/h2-10,15,30-31H,11-12H2,1H3,(H,26,27,28)
SMILES: O=c1ccc2c(-c3ccccc3F)nc(NC(CO)CO)nc2n1-c1ccccc1F
SELFIES: [O][=C][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=C][Branch1][=Branch2][N][C][Branch1][Ring1][C][O][C][O][N][=C][Ring2][Ring1][Ring1][N][Ring2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
InChI: InChI=1S/C22H18F2N4O3/c23-16-6-2-1-5-14(16)20-15-9-10-19(31)28(18-8-4-3-7-17(18)24)21(15)27-22(26-20)25-13(11-29)12-30/h1-10,13,29-30H,11-12H2,(H,25,26,27)
SMILES: O=c1ccc2c(-c3ccccc3F)nc(NC(CO)CO)nc2n1-c1c(F)cccc1F
SELFIES: [O][=C][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=C][Branch1][=Branch2][N][C][Branch1][Ring1][C][O][C][O][N][=C][Ring2][Ring1][Ring1][N][Ring2][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C22H17F3N4O3/c23-15-5-2-1-4-13(15)19-14-8-9-18(32)29(20-16(24)6-3-7-17(20)25)21(14)28-22(27-19)26-12(10-30)11-31/h1-9,12,30-31H,10-11H2,(H,26,27,28)
SMILES: Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2CC1CC1
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][N][C][Branch1][Ring1][C][O][C][O][=N][C][=C][Ring1][N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C21H23FN4O3/c1-12-8-14(22)4-5-16(12)19-17-6-7-18(29)26(9-13-2-3-13)20(17)25-21(24-19)23-15(10-27)11-28/h4-8,13,15,27-28H,2-3,9-11H2,1H3,(H,23,24,25)
SMILES: Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2C(C)C
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][N][C][Branch1][Ring1][C][O][C][O][=N][C][=C][Ring1][N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Branch1][C][C][C]
InChI: InChI=1S/C20H23FN4O3/c1-11(2)25-17(28)7-6-16-18(15-5-4-13(21)8-12(15)3)23-20(24-19(16)25)22-14(9-26)10-27/h4-8,11,14,26-27H,9-10H2,1-3H3,(H,22,23,24)
SMILES: CN(C)CCNc1nc(-c2ccccc2Cl)c2ccc(=O)n(-c3ccccc3Cl)c2n1
SELFIES: [C][N][Branch1][C][C][C][C][N][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/C23H21Cl2N5O/c1-29(2)14-13-26-23-27-21(15-7-3-4-8-17(15)24)16-11-12-20(31)30(22(16)28-23)19-10-6-5-9-18(19)25/h3-12H,13-14H2,1-2H3,(H,26,27,28)
SMILES: O=c1ccc2c(-c3ccccc3Cl)nc(NC3CCNCC3)nc2n1-c1ccccc1Cl
SELFIES: [O][=C][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=C][Branch1][#Branch2][N][C][C][C][N][C][C][Ring1][=Branch1][N][=C][Ring2][Ring1][Ring2][N][Ring2][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
InChI: InChI=1S/C24H21Cl2N5O/c25-18-6-2-1-5-16(18)22-17-9-10-21(32)31(20-8-4-3-7-19(20)26)23(17)30-24(29-22)28-15-11-13-27-14-12-15/h1-10,15,27H,11-14H2,(H,28,29,30)
SMILES: CN1CCC(Nc2nc(-c3ccccc3Cl)c3ccc(=O)n(-c4ccccc4Cl)c3n2)CC1
SELFIES: [C][N][C][C][C][Branch2][Ring2][#Branch2][N][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][C][C][Ring2][Ring1][S]
InChI: InChI=1S/C25H23Cl2N5O/c1-31-14-12-16(13-15-31)28-25-29-23(17-6-2-3-7-19(17)26)18-10-11-22(33)32(24(18)30-25)21-9-5-4-8-20(21)27/h2-11,16H,12-15H2,1H3,(H,28,29,30)
SMILES: CC(CO)(CO)Nc1nc(-c2ccccc2Cl)c2ccc(=O)n(-c3ccccc3Cl)c2n1
SELFIES: [C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][N][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/C23H20Cl2N4O3/c1-23(12-30,13-31)28-22-26-20(14-6-2-3-7-16(14)24)15-10-11-19(32)29(21(15)27-22)18-9-5-4-8-17(18)25/h2-11,30-31H,12-13H2,1H3,(H,26,27,28)
SMILES: O=c1ccc2c(-c3ccccc3Cl)nc(NCCO)nc2n1-c1ccccc1Cl
SELFIES: [O][=C][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=C][Branch1][Branch1][N][C][C][O][N][=C][Ring1][P][N][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
InChI: InChI=1S/C21H16Cl2N4O2/c22-15-6-2-1-5-13(15)19-14-9-10-18(29)27(17-8-4-3-7-16(17)23)20(14)26-21(25-19)24-11-12-28/h1-10,28H,11-12H2,(H,24,25,26)
SMILES: NCCNc1nc(-c2ccccc2Cl)c2ccc(=O)n(-c3ccccc3Cl)c2n1
SELFIES: [N][C][C][N][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/C21H17Cl2N5O/c22-15-6-2-1-5-13(15)19-14-9-10-18(29)28(17-8-4-3-7-16(17)23)20(14)27-21(26-19)25-12-11-24/h1-10H,11-12,24H2,(H,25,26,27)
SMILES: CCOC(=O)CNc1nc(-c2ccccc2Cl)c2ccc(=O)n(-c3ccccc3Cl)c2n1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][N][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/C23H18Cl2N4O3/c1-2-32-20(31)13-26-23-27-21(14-7-3-4-8-16(14)24)15-11-12-19(30)29(22(15)28-23)18-10-6-5-9-17(18)25/h3-12H,2,13H2,1H3,(H,26,27,28)
SMILES: O=C(O)CNc1nc(-c2ccccc2Cl)c2ccc(=O)n(-c3ccccc3Cl)c2n1
SELFIES: [O][=C][Branch1][C][O][C][N][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/C21H14Cl2N4O3/c22-14-6-2-1-5-12(14)19-13-9-10-17(28)27(16-8-4-3-7-15(16)23)20(13)26-21(25-19)24-11-18(29)30/h1-10H,11H2,(H,29,30)(H,24,25,26)
SMILES: CCC(CC)n1c(=O)ccc2c(-c3ccccc3Cl)nc(NCCN(CC)CC)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][O][N][C][C][N][Branch1][Ring1][C][C][C][C][N][=C][Ring2][Ring1][Branch1][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C24H32ClN5O/c1-5-17(6-2)30-21(31)14-13-19-22(18-11-9-10-12-20(18)25)27-24(28-23(19)30)26-15-16-29(7-3)8-4/h9-14,17H,5-8,15-16H2,1-4H3,(H,26,27,28)
SMILES: CCC(CC)n1c(=O)ccc2c(-c3ccccc3Cl)nc(NCCN)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][Branch1][N][C][C][N][N][=C][Ring1][P][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C20H24ClN5O/c1-3-13(4-2)26-17(27)10-9-15-18(14-7-5-6-8-16(14)21)24-20(23-12-11-22)25-19(15)26/h5-10,13H,3-4,11-12,22H2,1-2H3,(H,23,24,25)
SMILES: CCC(CC)n1c(=O)ccc2c(-c3ccccc3Cl)nc(NCCO)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][Branch1][N][C][C][O][N][=C][Ring1][P][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C20H23ClN4O2/c1-3-13(4-2)25-17(27)10-9-15-18(14-7-5-6-8-16(14)21)23-20(22-11-12-26)24-19(15)25/h5-10,13,26H,3-4,11-12H2,1-2H3,(H,22,23,24)
SMILES: CCC(CC)n1c(=O)ccc2c(-c3ccccc3Cl)nc(N[C@H](C)CO)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][N][C@H1][Branch1][C][C][C][O][N][=C][Ring2][Ring1][C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C21H25ClN4O2/c1-4-14(5-2)26-18(28)11-10-16-19(15-8-6-7-9-17(15)22)24-21(25-20(16)26)23-13(3)12-27/h6-11,13-14,27H,4-5,12H2,1-3H3,(H,23,24,25)/t13-/m1/s1
SMILES: CCC(CC)n1c(=O)ccc2c(-c3ccccc3Cl)nc(NC3CCN(C)CC3)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][=N][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][N][=C][Ring2][Ring1][Branch1][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C24H30ClN5O/c1-4-17(5-2)30-21(31)11-10-19-22(18-8-6-7-9-20(18)25)27-24(28-23(19)30)26-16-12-14-29(3)15-13-16/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,26,27,28)
SMILES: CCOC(=O)CNc1nc(-c2ccccc2Cl)c2ccc(=O)n(C(CC)CC)c2n1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][N][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][Branch1][Ring1][C][C][C][C][C][Ring1][N][=N][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C22H25ClN4O3/c1-4-14(5-2)27-18(28)12-11-16-20(15-9-7-8-10-17(15)23)25-22(26-21(16)27)24-13-19(29)30-6-3/h7-12,14H,4-6,13H2,1-3H3,(H,24,25,26)
SMILES: Cc1cc(F)ccc1-c1nc(NCCO)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch1][N][C][C][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/C22H17F3N4O2/c1-12-11-13(23)5-6-14(12)19-15-7-8-18(31)29(20-16(24)3-2-4-17(20)25)21(15)28-22(27-19)26-9-10-30/h2-8,11,30H,9-10H2,1H3,(H,26,27,28)
SMILES: Cc1cc(F)ccc1-c1nc(NC2CCN(C)CC2)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=N][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=C][Ring1][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C26H24F3N5O/c1-15-14-16(27)6-7-18(15)23-19-8-9-22(35)34(24-20(28)4-3-5-21(24)29)25(19)32-26(31-23)30-17-10-12-33(2)13-11-17/h3-9,14,17H,10-13H2,1-2H3,(H,30,31,32)
SMILES: CS(=O)(=O)Nc1nc(-c2ccccc2)c2ccc(=O)n(-c3ccccc3)c2n1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][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/C20H16N4O3S/c1-28(26,27)23-20-21-18(14-8-4-2-5-9-14)16-12-13-17(25)24(19(16)22-20)15-10-6-3-7-11-15/h2-13H,1H3,(H,21,22,23)
SMILES: CS(=O)(=O)Nc1nc(-c2ccccc2F)c2ccc(=O)n(-c3ccccc3F)c2n1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][N][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/C20H14F2N4O3S/c1-30(28,29)25-20-23-18(12-6-2-3-7-14(12)21)13-10-11-17(27)26(19(13)24-20)16-9-5-4-8-15(16)22/h2-11H,1H3,(H,23,24,25)
SMILES: CC(C)n1c(=O)ccc2c(-c3ccccc3F)nc(NS(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][N][S][Branch1][C][C][=Branch1][C][=O][=O][N][=C][Ring2][Ring1][C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C17H17FN4O3S/c1-10(2)22-14(23)9-8-12-15(11-6-4-5-7-13(11)18)19-17(20-16(12)22)21-26(3,24)25/h4-10H,1-3H3,(H,19,20,21)
SMILES: CS(=O)(=O)Nc1nc(-c2ccccc2F)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][N][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/C20H13F3N4O3S/c1-31(29,30)26-20-24-17(11-5-2-3-6-13(11)21)12-9-10-16(28)27(19(12)25-20)18-14(22)7-4-8-15(18)23/h2-10H,1H3,(H,24,25,26)
SMILES: Cc1cc(F)ccc1-c1nc(NS(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][N][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=C][Ring1][O][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C21H15F3N4O3S/c1-11-10-12(22)6-7-13(11)18-14-8-9-17(29)28(19-15(23)4-3-5-16(19)24)20(14)26-21(25-18)27-32(2,30)31/h3-10H,1-2H3,(H,25,26,27)
SMILES: COc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [C][O][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/C21H14F3N3O2/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: CCOc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [C][C][O][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/C22H16F3N3O2/c1-3-30-22-26-19(14-8-7-13(23)11-12(14)2)15-9-10-18(29)28(21(15)27-22)20-16(24)5-4-6-17(20)25/h4-11H,3H2,1-2H3
SMILES: CCCCOc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [C][C][C][C][O][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/C24H20F3N3O2/c1-3-4-12-32-24-28-21(16-9-8-15(25)13-14(16)2)17-10-11-20(31)30(23(17)29-24)22-18(26)6-5-7-19(22)27/h5-11,13H,3-4,12H2,1-2H3
SMILES: COc1nc(-c2ccccc2F)c2ccc(=O)n(-c3ccccc3Cl)c2n1
SELFIES: [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][Cl][C][Ring1][=C][=N][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H13ClFN3O2/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: COc1nc(-c2ccccc2Cl)c2ccc(=O)n(-c3ccccc3Cl)c2n1
SELFIES: [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/C20H13Cl2N3O2/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: COc1nc(-c2ccccc2F)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [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/C20H12F3N3O2/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(-c3ccc(F)cc3C)nc(OC)nc21
SELFIES: [C][C][C][Branch1][Ring1][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][O][C][N][=C][Ring1][S][Ring2][Ring1][Branch1]
InChI: InChI=1S/C20H22FN3O2/c1-5-14(6-2)24-17(25)10-9-16-18(22-20(26-4)23-19(16)24)15-8-7-13(21)11-12(15)3/h7-11,14H,5-6H2,1-4H3
SMILES: O=c1ccc2c(-c3ccccc3Cl)nc(OCCO)nc2n1-c1ccccc1Cl
SELFIES: [O][=C][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=C][Branch1][Branch1][O][C][C][O][N][=C][Ring1][P][N][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
InChI: InChI=1S/C21H15Cl2N3O3/c22-15-6-2-1-5-13(15)19-14-9-10-18(28)26(17-8-4-3-7-16(17)23)20(14)25-21(24-19)29-12-11-27/h1-10,27H,11-12H2
SMILES: CSc1nc(-c2ccccc2F)c2ccc(=O)[nH]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][NH1][C][Ring1][#Branch1][=N][Ring2][Ring1][C]
InChI: InChI=1S/C14H10FN3OS/c1-20-14-17-12(8-4-2-3-5-10(8)15)9-6-7-11(19)16-13(9)18-14/h2-7H,1H3,(H,16,17,18,19)
SMILES: CSc1nc(-c2ccccc2F)c2ccc(=O)n(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][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][Ring1]
InChI: InChI=1S/C15H12FN3OS/c1-19-12(20)8-7-10-13(9-5-3-4-6-11(9)16)17-15(21-2)18-14(10)19/h3-8H,1-2H3
SMILES: CCn1c(=O)ccc2c(-c3ccccc3F)nc(SC)nc21
SELFIES: [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/C16H14FN3OS/c1-3-20-13(21)9-8-11-14(10-6-4-5-7-12(10)17)18-16(22-2)19-15(11)20/h4-9H,3H2,1-2H3
SMILES: CSc1nc(Nc2ccccc2Cl)c(C=O)c(Oc2ccccc2)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][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C18H14ClN3O2S/c1-25-18-21-16(20-15-10-6-5-9-14(15)19)13(11-23)17(22-18)24-12-7-3-2-4-8-12/h2-11H,1H3,(H,20,21,22)
SMILES: CSc1nc(Oc2ccccc2)c2ccc(=O)n(-c3ccccc3Cl)c2n1
SELFIES: [C][S][C][=N][C][Branch1][#Branch2][O][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][Cl][C][Ring1][=C][=N][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H14ClN3O2S/c1-27-20-22-18-14(19(23-20)26-13-7-3-2-4-8-13)11-12-17(25)24(18)16-10-6-5-9-15(16)21/h2-12H,1H3
SMILES: Nc1nc(-c2ccccc2F)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [N][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/C19H11F3N4O/c20-12-5-2-1-4-10(12)16-11-8-9-15(27)26(18(11)25-19(23)24-16)17-13(21)6-3-7-14(17)22/h1-9H,(H2,23,24,25)
SMILES: CSc1nc(-c2ccc(F)cc2C)c2c(n1)N(c1c(F)cccc1F)C(=O)CC2
SELFIES: [C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=Branch1][Ring2][=N][Ring1][=C][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][C][Ring1][S]
InChI: InChI=1S/C21H16F3N3OS/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/h3-7,10H,8-9H2,1-2H3
SMILES: CCN(CC)CCNc1nc(-c2ccc(F)cc2C)c2c(n1)N(c1c(F)cccc1F)C(=O)CC2
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][=Branch1][Ring2][=N][Ring1][=C][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][C][Ring1][S]
InChI: InChI=1S/C26H28F3N5O/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/h6-10,15H,4-5,11-14H2,1-3H3,(H,30,31,32)
SMILES: Cc1cc(F)ccc1-c1nc(NCCO)nc2c1ccc(=O)n2C(C)C
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch1][N][C][C][O][=N][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Branch1][C][C][C]
InChI: InChI=1S/C19H21FN4O2/c1-11(2)24-16(26)7-6-15-17(14-5-4-13(20)10-12(14)3)22-19(21-8-9-25)23-18(15)24/h4-7,10-11,25H,8-9H2,1-3H3,(H,21,22,23)
SMILES: Cc1cc(F)ccc1-c1nc(N(C)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][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=C][Ring1][N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C22H17F3N4O3S/c1-12-11-13(23)7-8-14(12)19-15-9-10-18(30)29(20-16(24)5-4-6-17(20)25)21(15)27-22(26-19)28(2)33(3,31)32/h4-11H,1-3H3