EdisonScientific/glyph-datasets huggingface dataset:
SMILES: Cc1cc(F)ccc1-c1nc(N[C@@H]2CS(=O)(=O)C[C@H]2O)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][S][N][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@H1][Ring1][#Branch1][O][=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/C24H19F3N4O4S/c1-12-9-13(25)5-6-14(12)21-15-7-8-20(33)31(22-16(26)3-2-4-17(22)27)23(15)30-24(29-21)28-18-10-36(34,35)11-19(18)32/h2-9,18-19,32H,10-11H2,1H3,(H,28,29,30)/t18-,19-/m1/s1
SMILES: Cc1cc(F)ccc1-c1nc(Nc2ccnc(=O)[nH]2)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][C][=Branch1][C][=O][NH1][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/C24H15F3N6O2/c1-12-11-13(25)5-6-14(12)20-15-7-8-19(34)33(21-16(26)3-2-4-17(21)27)22(15)32-23(31-20)29-18-9-10-28-24(35)30-18/h2-11H,1H3,(H2,28,29,30,31,32,35)
SMILES: Cc1cc(F)ccc1-c1nc(NCc2ncc[nH]2)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][C][=N][C][=C][NH1][Ring1][Branch1][=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/C24H17F3N6O/c1-13-11-14(25)5-6-15(13)21-16-7-8-20(34)33(22-17(26)3-2-4-18(22)27)23(16)32-24(31-21)30-12-19-28-9-10-29-19/h2-11H,12H2,1H3,(H,28,29)(H,30,31,32)
SMILES: Cc1cc(F)ccc1-c1nc(Nc2nc[nH]n2)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][N][=C][NH1][N][=Ring1][Branch1][=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/C22H14F3N7O/c1-11-9-12(23)5-6-13(11)18-14-7-8-17(33)32(19-15(24)3-2-4-16(19)25)20(14)29-22(28-18)30-21-26-10-27-31-21/h2-10H,1H3,(H2,26,27,28,29,30,31)
SMILES: Cc1cc(F)ccc1-c1nc(Nc2nnn[nH]2)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][=N][N][=N][NH1][Ring1][Branch1][=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/C21H13F3N8O/c1-10-9-11(22)5-6-12(10)17-13-7-8-16(33)32(18-14(23)3-2-4-15(18)24)19(13)26-20(25-17)27-21-28-30-31-29-21/h2-9H,1H3,(H2,25,26,27,28,29,30,31)
SMILES: COCCNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [C][O][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/C23H19F3N4O2/c1-13-12-14(24)6-7-15(13)20-16-8-9-19(31)30(21-17(25)4-3-5-18(21)26)22(16)29-23(28-20)27-10-11-32-2/h3-9,12H,10-11H2,1-2H3,(H,27,28,29)
SMILES: Cc1cc(F)ccc1-c1nc(N[C@H]2CCOC2)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@H1][C][C][O][C][Ring1][Branch1][=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/C24H19F3N4O2/c1-13-11-14(25)5-6-16(13)21-17-7-8-20(32)31(22-18(26)3-2-4-19(22)27)23(17)30-24(29-21)28-15-9-10-33-12-15/h2-8,11,15H,9-10,12H2,1H3,(H,28,29,30)/t15-/m0/s1
SMILES: Cc1cc(F)ccc1-c1nc(N(C)CCO)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][Branch1][C][C][C][C][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/C23H19F3N4O2/c1-13-12-14(24)6-7-15(13)20-16-8-9-19(32)30(21-17(25)4-3-5-18(21)26)22(16)28-23(27-20)29(2)10-11-31/h3-9,12,31H,10-11H2,1-2H3
SMILES: Cc1cc(F)ccc1-c1nc(NCCc2c[nH]cn2)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][O][N][C][C][C][=C][NH1][C][=N][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/C25H19F3N6O/c1-14-11-15(26)5-6-17(14)22-18-7-8-21(35)34(23-19(27)3-2-4-20(23)28)24(18)33-25(32-22)30-10-9-16-12-29-13-31-16/h2-8,11-13H,9-10H2,1H3,(H,29,31)(H,30,32,33)
SMILES: Cc1cc(F)ccc1-c1nc(NCC(N)=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][C][C][Branch1][C][N][=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/C22H16F3N5O2/c1-11-9-12(23)5-6-13(11)19-14-7-8-18(32)30(20-15(24)3-2-4-16(20)25)21(14)29-22(28-19)27-10-17(26)31/h2-9H,10H2,1H3,(H2,26,31)(H,27,28,29)
SMILES: Cc1cc(F)ccc1-c1nc(NC(=O)C2CC2)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=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/C24H17F3N4O2/c1-12-11-14(25)7-8-15(12)20-16-9-10-19(32)31(21-17(26)3-2-4-18(21)27)22(16)29-24(28-20)30-23(33)13-5-6-13/h2-4,7-11,13H,5-6H2,1H3,(H,28,29,30,33)
SMILES: Cc1cc(F)ccc1-c1nc(N(C(=O)C2CC2)C(=O)C2CC2)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch2][Ring1][=Branch1][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][C][=C][Ring1][P][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C28H21F3N4O3/c1-14-13-17(29)9-10-18(14)23-19-11-12-22(36)34(24-20(30)3-2-4-21(24)31)25(19)33-28(32-23)35(26(37)15-5-6-15)27(38)16-7-8-16/h2-4,9-13,15-16H,5-8H2,1H3
SMILES: Cc1cc(F)ccc1-c1nc(NCC(=O)N2CCSCC2)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][#C][N][C][C][=Branch1][C][=O][N][C][C][S][C][C][Ring1][=Branch1][=N][C][=C][Ring1][S][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C26H22F3N5O2S/c1-15-13-16(27)5-6-17(15)23-18-7-8-21(35)34(24-19(28)3-2-4-20(24)29)25(18)32-26(31-23)30-14-22(36)33-9-11-37-12-10-33/h2-8,13H,9-12,14H2,1H3,(H,30,31,32)
SMILES: Cc1cc(F)ccc1-c1nc(NCC2CCCO2)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][C][C][C][C][O][Ring1][Branch1][=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/C25H21F3N4O2/c1-14-12-15(26)7-8-17(14)22-18-9-10-21(33)32(23-19(27)5-2-6-20(23)28)24(18)31-25(30-22)29-13-16-4-3-11-34-16/h2,5-10,12,16H,3-4,11,13H2,1H3,(H,29,30,31)
SMILES: Cc1cc(F)ccc1-c1nc(NCC(=O)N2CC(O)C2)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][S][N][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][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/C25H20F3N5O3/c1-13-9-14(26)5-6-16(13)22-17-7-8-20(35)33(23-18(27)3-2-4-19(23)28)24(17)31-25(30-22)29-10-21(36)32-11-15(34)12-32/h2-9,15,34H,10-12H2,1H3,(H,29,30,31)
SMILES: Cc1cc(F)ccc1-c1nc(NC[C@@H](C)O)nc2c1ccc(=O)n2-c1ccccc1C
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch2][N][C][C@@H1][Branch1][C][C][O][=N][C][=C][Ring1][O][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
InChI: InChI=1S/C24H23FN4O2/c1-14-6-4-5-7-20(14)29-21(31)11-10-19-22(18-9-8-17(25)12-15(18)2)27-24(28-23(19)29)26-13-16(3)30/h4-12,16,30H,13H2,1-3H3,(H,26,27,28)/t16-/m1/s1
SMILES: Cc1cc(F)ccc1-c1nc(NCC(C)(C)O)nc2c1ccc(=O)n2-c1ccccc1C
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][O][N][C][C][Branch1][C][C][Branch1][C][C][O][=N][C][=C][Ring1][N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
InChI: InChI=1S/C25H25FN4O2/c1-15-7-5-6-8-20(15)30-21(31)12-11-19-22(18-10-9-17(26)13-16(18)2)28-24(29-23(19)30)27-14-25(3,4)32/h5-13,32H,14H2,1-4H3,(H,27,28,29)
SMILES: CC(=O)[C@H]1CCC[C@H]1Nc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [C][C][=Branch1][C][=O][C@H1][C][C][C][C@H1][Ring1][Branch1][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/C27H23F3N4O2/c1-14-13-16(28)9-10-17(14)24-19-11-12-23(36)34(25-20(29)6-4-7-21(25)30)26(19)33-27(32-24)31-22-8-3-5-18(22)15(2)35/h4,6-7,9-13,18,22H,3,5,8H2,1-2H3,(H,31,32,33)/t18-,22-/m1/s1
SMILES: Cc1cc(F)ccc1-c1nc(NC[C@H](C)O)nc2c1ccc(=O)n2-c1ccccc1C
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch2][N][C][C@H1][Branch1][C][C][O][=N][C][=C][Ring1][O][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
InChI: InChI=1S/C24H23FN4O2/c1-14-6-4-5-7-20(14)29-21(31)11-10-19-22(18-9-8-17(25)12-15(18)2)27-24(28-23(19)29)26-13-16(3)30/h4-12,16,30H,13H2,1-3H3,(H,26,27,28)/t16-/m0/s1
SMILES: CNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [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/C21H15F3N4O/c1-11-10-12(22)6-7-13(11)18-14-8-9-17(29)28(20(14)27-21(25-2)26-18)19-15(23)4-3-5-16(19)24/h3-10H,1-2H3,(H,25,26,27)
SMILES: Cc1cc(F)ccc1-c1nc(NCC(=O)N2CCS(=O)(=O)CC2)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][=N][C][=C][Ring2][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/C26H22F3N5O4S/c1-15-13-16(27)5-6-17(15)23-18-7-8-21(35)34(24-19(28)3-2-4-20(24)29)25(18)32-26(31-23)30-14-22(36)33-9-11-39(37,38)12-10-33/h2-8,13H,9-12,14H2,1H3,(H,30,31,32)
SMILES: Cc1cc(F)ccc1-c1nc(NCCCN2CCCC2=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][C][C][C][N][C][C][C][C][Ring1][Branch1][=O][=N][C][=C][Ring1][S][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C27H24F3N5O2/c1-16-15-17(28)8-9-18(16)24-19-10-11-23(37)35(25-20(29)5-2-6-21(25)30)26(19)33-27(32-24)31-12-4-14-34-13-3-7-22(34)36/h2,5-6,8-11,15H,3-4,7,12-14H2,1H3,(H,31,32,33)
SMILES: Cc1cc(F)ccc1-c1nc(NCCC(N)=NO)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][C][C][Branch1][C][N][=N][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/C23H19F3N6O2/c1-12-11-13(24)5-6-14(12)20-15-7-8-19(33)32(21-16(25)3-2-4-17(21)26)22(15)30-23(29-20)28-10-9-18(27)31-34/h2-8,11,34H,9-10H2,1H3,(H2,27,31)(H,28,29,30)
SMILES: Cc1cc(F)ccc1-c1nc(NCCc2noc(=O)[nH]2)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=C][N][C][C][C][=N][O][C][=Branch1][C][=O][NH1][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/C24H17F3N6O3/c1-12-11-13(25)5-6-14(12)20-15-7-8-19(34)33(21-16(26)3-2-4-17(21)27)22(15)31-23(30-20)28-10-9-18-29-24(35)36-32-18/h2-8,11H,9-10H2,1H3,(H,28,30,31)(H,29,32,35)
SMILES: Cc1nc2c(-c3cc4cc(CO)ccc4n3C(=O)OC(C)(C)C)cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2n1C(=O)OC(C)(C)C
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][#C][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][N][Ring1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][=C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][Ring2][Ring2][#Branch1][N][Ring2][Ring2][#Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C36H47N5O9/c1-20-37-27-23(25-17-22-16-21(19-42)14-15-24(22)40(25)30(44)48-34(5,6)7)18-26(38-28(27)39(20)29(43)47-33(2,3)4)41(31(45)49-35(8,9)10)32(46)50-36(11,12)13/h14-18,42H,19H2,1-13H3
SMILES: CCN(C[C@@H](NCc1ccc2[nH]c(-c3cc(N)nc4[nH]c(C)nc34)cc2c1)C(=O)OC)c1ccccc1
SELFIES: [C][C][N][Branch2][Branch1][C][C][C@@H1][Branch2][Ring2][#Branch1][N][C][C][=C][C][=C][NH1][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][C][N][=N][C][NH1][C][Branch1][C][C][=N][C][Ring1][O][=Ring1][=Branch1][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C28H31N7O2/c1-4-35(20-8-6-5-7-9-20)16-24(28(36)37-3)30-15-18-10-11-22-19(12-18)13-23(33-22)21-14-25(29)34-27-26(21)31-17(2)32-27/h5-14,24,30,33H,4,15-16H2,1-3H3,(H3,29,31,32,34)/t24-/m1/s1
SMILES: Cc1nc2c(-c3cc4ccc(CN(C)C5CCC6OC(C)(C)OCC6C5)cc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring2][N][C][=C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][Branch1][C][C][C][C][C][C][O][C][Branch1][C][C][Branch1][C][C][O][C][C][Ring1][Branch2][C][Ring1][N][C][=C][Ring2][Ring1][Branch1][NH1][Ring2][Ring1][Branch2][C][=C][N][=C][Ring2][Ring1][=C][NH1][Ring2][Ring1][P]
InChI: InChI=1S/C27H33N5O2/c1-16-29-25-21(9-10-28-26(25)30-16)23-13-18-6-5-17(11-22(18)31-23)14-32(4)20-7-8-24-19(12-20)15-33-27(2,3)34-24/h5-6,9-11,13,19-20,24,31H,7-8,12,14-15H2,1-4H3,(H,28,29,30)
SMILES: Cc1nc2c(-c3cc4ccc(CN(C)C5CCC6OC(C)(C)OCC6C5)cc4[nH]3)cc(N)nc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring2][N][C][=C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][Branch1][C][C][C][C][C][C][O][C][Branch1][C][C][Branch1][C][C][O][C][C][Ring1][Branch2][C][Ring1][N][C][=C][Ring2][Ring1][Branch1][NH1][Ring2][Ring1][Branch2][C][=C][Branch1][C][N][N][=C][Ring2][Ring1][#C][NH1][Ring2][Ring2][C]
InChI: InChI=1S/C27H34N6O2/c1-15-29-25-20(12-24(28)32-26(25)30-15)22-11-17-6-5-16(9-21(17)31-22)13-33(4)19-7-8-23-18(10-19)14-34-27(2,3)35-23/h5-6,9,11-12,18-19,23,31H,7-8,10,13-14H2,1-4H3,(H3,28,29,30,32)
SMILES: C.Cc1nc2c(-c3cc4cc(CNC(C)C)ccc4[nH]3)ccnc2[nH]1
SELFIES: [C].[C][C][=N][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][Branch2][C][N][C][Branch1][C][C][C][=C][C][=C][Ring1][O][NH1][Ring1][=C][C][=C][N][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C19H21N5.CH4/c1-11(2)21-10-13-4-5-16-14(8-13)9-17(24-16)15-6-7-20-19-18(15)22-12(3)23-19;/h4-9,11,21,24H,10H2,1-3H3,(H,20,22,23);1H4
SMILES: CCOc1nc2c(Cl)cc(N)nc2[nH]1
SELFIES: [C][C][O][C][=N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][N][N][=C][Ring1][Branch2][NH1][Ring1][O]
InChI: InChI=1S/C8H9ClN4O/c1-2-14-8-12-6-4(9)3-5(10)11-7(6)13-8/h3H,2H2,1H3,(H3,10,11,12,13)
SMILES: Nc1cc(I)c2nc(C(F)(F)F)[nH]c2n1
SELFIES: [N][C][=C][C][Branch1][C][I][=C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][C][Ring1][=Branch2][=N][Ring1][=C]
InChI: InChI=1S/C7H4F3IN4/c8-7(9,10)6-14-4-2(11)1-3(12)13-5(4)15-6/h1H,(H3,12,13,14,15)
SMILES: Cc1nc2c(-c3cc4cc(C#N)ccc4[nH]3)cc(N)nc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][NH1][Ring1][O][C][=C][Branch1][C][N][N][=C][Ring2][Ring1][C][NH1][Ring2][Ring1][Branch1]
InChI: InChI=1S/C16H12N6/c1-8-19-15-11(6-14(18)22-16(15)20-8)13-5-10-4-9(7-17)2-3-12(10)21-13/h2-6,21H,1H3,(H3,18,19,20,22)
SMILES: CCN(CCN)c1ccccc1
SELFIES: [C][C][N][Branch1][Ring2][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C10H16N2/c1-2-12(9-8-11)10-6-4-3-5-7-10/h3-7H,2,8-9,11H2,1H3
SMILES: CCN(CC(N)COC)c1ccccc1
SELFIES: [C][C][N][Branch1][=Branch2][C][C][Branch1][C][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C12H20N2O/c1-3-14(9-11(13)10-15-2)12-7-5-4-6-8-12/h4-8,11H,3,9-10,13H2,1-2H3
SMILES: COCC(N)COc1ccccc1
SELFIES: [C][O][C][C][Branch1][C][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C10H15NO2/c1-12-7-9(11)8-13-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
SMILES: CNC1CC(C)(C)C(=O)C(C)(C)C1
SELFIES: [C][N][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Ring1][O]
InChI: InChI=1S/C11H21NO/c1-10(2)6-8(12-5)7-11(3,4)9(10)13/h8,12H,6-7H2,1-5H3
SMILES: CNCC1CCC2(CC1)OCCO2
SELFIES: [C][N][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1]
InChI: InChI=1S/C10H19NO2/c1-11-8-9-2-4-10(5-3-9)12-6-7-13-10/h9,11H,2-8H2,1H3
SMILES: CNC1CC2CCC(C1)C2=O
SELFIES: [C][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][=Branch1][=O]
InChI: InChI=1S/C9H15NO/c1-10-8-4-6-2-3-7(5-8)9(6)11/h6-8,10H,2-5H2,1H3
SMILES: CNC1CCC(=C(F)F)CC1
SELFIES: [C][N][C][C][C][C][=Branch1][=Branch1][=C][Branch1][C][F][F][C][C][Ring1][=Branch2]
InChI: InChI=1S/C8H13F2N/c1-11-7-4-2-6(3-5-7)8(9)10/h7,11H,2-5H2,1H3
SMILES: CN[C@@H](COC)Cc1ccccc1
SELFIES: [C][N][C@@H1][Branch1][Ring2][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C11H17NO/c1-12-11(9-13-2)8-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/t11-/m1/s1
SMILES: CN[C@H](COC)CC1CCCCC1
SELFIES: [C][N][C@H1][Branch1][Ring2][C][O][C][C][C][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C11H23NO/c1-12-11(9-13-2)8-10-6-4-3-5-7-10/h10-12H,3-9H2,1-2H3/t11-/m0/s1
SMILES: CN[C@@H](COC)CC(C)C
SELFIES: [C][N][C@@H1][Branch1][Ring2][C][O][C][C][C][Branch1][C][C][C]
InChI: InChI=1S/C8H19NO/c1-7(2)5-8(9-3)6-10-4/h7-9H,5-6H2,1-4H3/t8-/m1/s1
SMILES: CNC1CCC(C2(C)OCC(C)(C)CO2)CC1
SELFIES: [C][N][C][C][C][C][Branch2][Ring1][C][C][Branch1][C][C][O][C][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][=Branch2][C][C][Ring1][#C]
InChI: InChI=1S/C14H27NO2/c1-13(2)9-16-14(3,17-10-13)11-5-7-12(15-4)8-6-11/h11-12,15H,5-10H2,1-4H3
SMILES: CNCC(COC)COC
SELFIES: [C][N][C][C][Branch1][Ring2][C][O][C][C][O][C]
InChI: InChI=1S/C7H17NO2/c1-8-4-7(5-9-2)6-10-3/h7-8H,4-6H2,1-3H3
SMILES: CN[C@H]1CC[C@@H](OC)CC1
SELFIES: [C][N][C@H1][C][C][C@@H1][Branch1][Ring1][O][C][C][C][Ring1][Branch2]
InChI: InChI=1S/C8H17NO/c1-9-7-3-5-8(10-2)6-4-7/h7-9H,3-6H2,1-2H3/t7-,8+
SMILES: CCN(C[C@H](NCc1ccc2[nH]c(-c3cc(N)nc4[nH]c(C)nc34)cc2c1)C(N)=O)c1ccccc1
SELFIES: [C][C][N][Branch2][Ring2][P][C][C@H1][Branch2][Ring2][#Branch1][N][C][C][=C][C][=C][NH1][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][C][N][=N][C][NH1][C][Branch1][C][C][=N][C][Ring1][O][=Ring1][=Branch1][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C27H30N8O/c1-3-35(19-7-5-4-6-8-19)15-23(26(29)36)30-14-17-9-10-21-18(11-17)12-22(33-21)20-13-24(28)34-27-25(20)31-16(2)32-27/h4-13,23,30,33H,3,14-15H2,1-2H3,(H2,29,36)(H3,28,31,32,34)/t23-/m0/s1
SMILES: Cc1nc2c(-c3cc4cc(CN[C@@H](Cc5c[nH]c6ccccc56)C(N)=O)ccc4[nH]3)cc(N)nc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring2][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][Ring2][Ring1][=Branch1][NH1][Ring2][Ring1][=Branch2][C][=C][Branch1][C][N][N][=C][Ring2][Ring1][S][NH1][Ring2][Ring2][Ring1]
InChI: InChI=1S/C27H26N8O/c1-14-32-25-19(11-24(28)35-27(25)33-14)22-9-16-8-15(6-7-20(16)34-22)12-30-23(26(29)36)10-17-13-31-21-5-3-2-4-18(17)21/h2-9,11,13,23,30-31,34H,10,12H2,1H3,(H2,29,36)(H3,28,32,33,35)/t23-/m0/s1
SMILES: Cc1nc2c(-c3cc4c(CCN(C)C)cccc4[nH]3)cc(N)nc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][C][=C][Ring1][O][NH1][Ring1][=C][C][=C][Branch1][C][N][N][=C][Ring2][Ring1][Branch1][NH1][Ring2][Ring1][Branch2]
InChI: InChI=1S/C19H22N6/c1-11-21-18-14(10-17(20)24-19(18)22-11)16-9-13-12(7-8-25(2)3)5-4-6-15(13)23-16/h4-6,9-10,23H,7-8H2,1-3H3,(H3,20,21,22,24)
SMILES: Cc1nc2c(-c3cc4cc(CN5C(=O)c6ccccc6C5=O)ccc4[nH]3)cc(N)nc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][C][=C][Ring2][Ring1][C][NH1][Ring2][Ring1][Branch1][C][=C][Branch1][C][N][N][=C][Ring2][Ring1][N][NH1][Ring2][Ring1][#C]
InChI: InChI=1S/C24H18N6O2/c1-12-26-21-17(10-20(25)29-22(21)27-12)19-9-14-8-13(6-7-18(14)28-19)11-30-23(31)15-4-2-3-5-16(15)24(30)32/h2-10,28H,11H2,1H3,(H3,25,26,27,29)
SMILES: Cc1nc2c(-c3cc4cc(COc5ccc(C(F)(F)F)cc5)ccc4[nH]3)cc(N)nc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][C][NH1][Ring2][Ring1][Branch1][C][=C][Branch1][C][N][N][=C][Ring2][Ring1][N][NH1][Ring2][Ring1][#C]
InChI: InChI=1S/C23H18F3N5O/c1-12-28-21-17(10-20(27)31-22(21)29-12)19-9-14-8-13(2-7-18(14)30-19)11-32-16-5-3-15(4-6-16)23(24,25)26/h2-10,30H,11H2,1H3,(H3,27,28,29,31)
SMILES: Cc1nc2c(-c3cc4cc(CO)ccc4[nH]3)cc(N)nc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][NH1][Ring1][O][C][=C][Branch1][C][N][N][=C][Ring2][Ring1][C][NH1][Ring2][Ring1][Branch1]
InChI: InChI=1S/C16H15N5O/c1-8-18-15-11(6-14(17)21-16(15)19-8)13-5-10-4-9(7-22)2-3-12(10)20-13/h2-6,20,22H,7H2,1H3,(H3,17,18,19,21)
SMILES: CCOC(=O)Nc1cc(Cl)c2[nH]c(=O)[nH]c2n1
SELFIES: [C][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=N][Ring1][O]
InChI: InChI=1S/C9H9ClN4O3/c1-2-17-9(16)12-5-3-4(10)6-7(11-5)14-8(15)13-6/h3H,2H2,1H3,(H3,11,12,13,14,15,16)
SMILES: CCOC(=O)Nc1cc(Cl)c2nc(N)[nH]c2n1
SELFIES: [C][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][N][=C][Branch1][C][N][NH1][C][Ring1][=Branch1][=N][Ring1][O]
InChI: InChI=1S/C9H10ClN5O2/c1-2-17-9(16)13-5-3-4(10)6-7(12-5)15-8(11)14-6/h3H,2H2,1H3,(H4,11,12,13,14,15,16)
SMILES: Cc1nc2c(I)cc(F)nc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch1][C][I][C][=C][Branch1][C][F][N][=C][Ring1][Branch2][NH1][Ring1][O]
InChI: InChI=1S/C7H5FIN3/c1-3-10-6-4(9)2-5(8)12-7(6)11-3/h2H,1H3,(H,10,11,12)
SMILES: COC[C@H](CC1CCCCC1)N(C)Cc1ccc2[nH]c(-c3ccnc4[nH]c(C)nc34)cc2c1
SELFIES: [C][O][C][C@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][NH1][C][Branch1][P][C][=C][C][=N][C][NH1][C][Branch1][C][C][=N][C][Ring1][#Branch2][=Ring1][=Branch1][=C][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C27H35N5O/c1-18-29-26-23(11-12-28-27(26)30-18)25-15-21-13-20(9-10-24(21)31-25)16-32(2)22(17-33-3)14-19-7-5-4-6-8-19/h9-13,15,19,22,31H,4-8,14,16-17H2,1-3H3,(H,28,29,30)/t22-/m0/s1
SMILES: C.Cc1nc2c(-c3cc4cc(CN[C@@H](CO)C(C)C)ccc4[nH]3)ccnc2[nH]1
SELFIES: [C].[C][C][=N][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][Branch1][=N][C][N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][C][C][=C][C][=C][Ring1][=C][NH1][Ring1][P][C][=C][N][=C][Ring2][Ring1][#Branch1][NH1][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C21H25N5O.CH4/c1-12(2)19(11-27)23-10-14-4-5-17-15(8-14)9-18(26-17)16-6-7-22-21-20(16)24-13(3)25-21;/h4-9,12,19,23,26-27H,10-11H2,1-3H3,(H,22,24,25);1H4/t19-;/m0./s1
SMILES: Cc1nc2[nH]c(=O)cc(I)c2[nH]1
SELFIES: [C][C][=N][C][NH1][C][=Branch1][C][=O][C][=C][Branch1][C][I][C][=Ring1][Branch2][NH1][Ring1][O]
InChI: InChI=1S/C7H6IN3O/c1-3-9-6-4(8)2-5(12)11-7(6)10-3/h2H,1H3,(H2,9,10,11,12)
SMILES: Cc1nc2c(-c3cc4cc(CN(C)Cc5ccccc5)ccc4[nH]3)cc(=O)[nH]c2[nH]1
SELFIES: [C][C][=N][C][C][Branch2][Ring1][#C][C][=C][C][=C][C][Branch1][#C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][NH1][Ring2][Ring1][Ring1][=C][C][=Branch1][C][=O][NH1][C][=Ring2][Ring1][#Branch2][NH1][Ring2][Ring1][=N]
InChI: InChI=1S/C24H23N5O/c1-15-25-23-19(12-22(30)28-24(23)26-15)21-11-18-10-17(8-9-20(18)27-21)14-29(2)13-16-6-4-3-5-7-16/h3-12,27H,13-14H2,1-2H3,(H2,25,26,28,30)