EdisonScientific/glyph-datasets huggingface dataset:
SMILES: O=C(NC[C@@H]1CCCO1)c1cc(-c2cnoc2-c2cccc(F)c2F)c[nH]1
SELFIES: [O][=C][Branch1][#Branch2][N][C][C@@H1][C][C][C][O][Ring1][Branch1][C][=C][C][Branch2][Ring1][Ring2][C][C][=N][O][C][=Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C19H17F2N3O3/c20-15-5-1-4-13(17(15)21)18-14(10-24-27-18)11-7-16(22-8-11)19(25)23-9-12-3-2-6-26-12/h1,4-5,7-8,10,12,22H,2-3,6,9H2,(H,23,25)/t12-/m0/s1
SMILES: NC(=O)c1cc(-c2conc2-c2cccc(F)c2F)c[nH]1
SELFIES: [N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][C][=C][O][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C14H9F2N3O2/c15-10-3-1-2-8(12(10)16)13-9(6-21-19-13)7-4-11(14(17)20)18-5-7/h1-6,18H,(H2,17,20)
SMILES: O=C(c1cc(-c2conc2-c2cccc(F)c2F)c[nH]1)N1CCCC1
SELFIES: [O][=C][Branch2][Ring1][#C][C][=C][C][Branch2][Ring1][Ring2][C][=C][O][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C18H15F2N3O2/c19-14-5-3-4-12(16(14)20)17-13(10-25-22-17)11-8-15(21-9-11)18(24)23-6-1-2-7-23/h3-5,8-10,21H,1-2,6-7H2
SMILES: O=C(NCCCn1ccnc1)c1cc(-c2conc2-c2cccc(F)c2F)c[nH]1
SELFIES: [O][=C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][Branch2][Ring1][Ring2][C][=C][O][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C20H17F2N5O2/c21-16-4-1-3-14(18(16)22)19-15(11-29-26-19)13-9-17(25-10-13)20(28)24-5-2-7-27-8-6-23-12-27/h1,3-4,6,8-12,25H,2,5,7H2,(H,24,28)
SMILES: O=C(NCC1CCCC1)c1cc(-c2conc2-c2cccc(F)c2F)c[nH]1
SELFIES: [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][Branch1][C][=C][C][Branch2][Ring1][Ring2][C][=C][O][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C20H19F2N3O2/c21-16-7-3-6-14(18(16)22)19-15(11-27-25-19)13-8-17(23-10-13)20(26)24-9-12-4-1-2-5-12/h3,6-8,10-12,23H,1-2,4-5,9H2,(H,24,26)
SMILES: CCNC(=O)c1cc(-n2cncc2-c2cccc(F)c2F)c[nH]1
SELFIES: [C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C16H14F2N4O/c1-2-20-16(23)13-6-10(7-21-13)22-9-19-8-14(22)11-4-3-5-12(17)15(11)18/h3-9,21H,2H2,1H3,(H,20,23)
SMILES: O=C(NC[C@@H]1CCCO1)c1cc(-n2cncc2-c2cccc(F)c2F)c[nH]1
SELFIES: [O][=C][Branch1][#Branch2][N][C][C@@H1][C][C][C][O][Ring1][Branch1][C][=C][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C19H18F2N4O2/c20-15-5-1-4-14(18(15)21)17-10-22-11-25(17)12-7-16(23-8-12)19(26)24-9-13-3-2-6-27-13/h1,4-5,7-8,10-11,13,23H,2-3,6,9H2,(H,24,26)/t13-/m0/s1
SMILES: O=C(Nc1nc2ccccc2[nH]1)c1cc(-n2cncc2-c2cccc(F)c2F)c[nH]1
SELFIES: [O][=C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C21H14F2N6O/c22-14-5-3-4-13(19(14)23)18-10-24-11-29(18)12-8-17(25-9-12)20(30)28-21-26-15-6-1-2-7-16(15)27-21/h1-11,25H,(H2,26,27,28,30)
SMILES: O=C(NCc1nc2ccccc2[nH]1)c1cc(-n2cncc2-c2cccc(F)c2F)c[nH]1
SELFIES: [O][=C][Branch1][S][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C22H16F2N6O/c23-15-5-3-4-14(21(15)24)19-10-25-12-30(19)13-8-18(26-9-13)22(31)27-11-20-28-16-6-1-2-7-17(16)29-20/h1-10,12,26H,11H2,(H,27,31)(H,28,29)
SMILES: O=C(Nc1ccccc1)c1cc(-c2cncn2-c2cccc(F)c2F)c[nH]1
SELFIES: [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch2][Ring1][Ring2][C][=C][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C20H14F2N4O/c21-15-7-4-8-17(19(15)22)26-12-23-11-18(26)13-9-16(24-10-13)20(27)25-14-5-2-1-3-6-14/h1-12,24H,(H,25,27)
SMILES: O=C(c1cc(-c2cncn2-c2cccc(F)c2F)c[nH]1)N1CCCC1
SELFIES: [O][=C][Branch2][Ring1][#C][C][=C][C][Branch2][Ring1][Ring2][C][=C][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C18H16F2N4O/c19-13-4-3-5-15(17(13)20)24-11-21-10-16(24)12-8-14(22-9-12)18(25)23-6-1-2-7-23/h3-5,8-11,22H,1-2,6-7H2
SMILES: O=C(NCC1CCCC1)c1cc(-c2cncn2-c2cccc(F)c2F)c[nH]1
SELFIES: [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][Branch1][C][=C][C][Branch2][Ring1][Ring2][C][=C][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C20H20F2N4O/c21-15-6-3-7-17(19(15)22)26-12-23-11-18(26)14-8-16(24-10-14)20(27)25-9-13-4-1-2-5-13/h3,6-8,10-13,24H,1-2,4-5,9H2,(H,25,27)
SMILES: O=C(NC[C@@H]1CCCO1)c1cc(-c2cncn2-c2cccc(F)c2F)c[nH]1
SELFIES: [O][=C][Branch1][#Branch2][N][C][C@@H1][C][C][C][O][Ring1][Branch1][C][=C][C][Branch2][Ring1][Ring2][C][=C][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C19H18F2N4O2/c20-14-4-1-5-16(18(14)21)25-11-22-10-17(25)12-7-15(23-8-12)19(26)24-9-13-3-2-6-27-13/h1,4-5,7-8,10-11,13,23H,2-3,6,9H2,(H,24,26)/t13-/m0/s1
SMILES: O=C(Nc1ccccc1)c1cc(-c2nncn2-c2cccc(F)c2F)c[nH]1
SELFIES: [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch2][Ring1][Ring2][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C19H13F2N5O/c20-14-7-4-8-16(17(14)21)26-11-23-25-18(26)12-9-15(22-10-12)19(27)24-13-5-2-1-3-6-13/h1-11,22H,(H,24,27)
SMILES: O=C(c1cc(-c2nncn2-c2cccc(F)c2F)c[nH]1)N1CCCC1
SELFIES: [O][=C][Branch2][Ring1][#C][C][=C][C][Branch2][Ring1][Ring2][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C17H15F2N5O/c18-12-4-3-5-14(15(12)19)24-10-21-22-16(24)11-8-13(20-9-11)17(25)23-6-1-2-7-23/h3-5,8-10,20H,1-2,6-7H2
SMILES: O=C(NCC1CCCC1)c1cc(-c2nncn2-c2cccc(F)c2F)c[nH]1
SELFIES: [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][Branch1][C][=C][C][Branch2][Ring1][Ring2][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C19H19F2N5O/c20-14-6-3-7-16(17(14)21)26-11-24-25-18(26)13-8-15(22-10-13)19(27)23-9-12-4-1-2-5-12/h3,6-8,10-12,22H,1-2,4-5,9H2,(H,23,27)
SMILES: O=C(Nc1ncc[nH]1)c1cc(-n2nnnc2-c2cccc(F)c2F)c[nH]1
SELFIES: [O][=C][Branch1][=Branch2][N][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][C][Branch2][Ring1][Ring2][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C15H10F2N8O/c16-10-3-1-2-9(12(10)17)13-22-23-24-25(13)8-6-11(20-7-8)14(26)21-15-18-4-5-19-15/h1-7,20H,(H2,18,19,21,26)
SMILES: O=C(c1cc(-n2nnnc2-c2ccc(F)c(F)c2F)c[nH]1)N1CCCC1
SELFIES: [O][=C][Branch2][Ring2][C][C][=C][C][Branch2][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F][=C][NH1][Ring2][Ring1][Ring1][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C16H13F3N6O/c17-11-4-3-10(13(18)14(11)19)15-21-22-23-25(15)9-7-12(20-8-9)16(26)24-5-1-2-6-24/h3-4,7-8,20H,1-2,5-6H2
SMILES: O=C(NCC1CCCC1)c1cc(-n2nnnc2-c2c(F)cccc2Cl)c[nH]1
SELFIES: [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][Branch1][C][=C][C][Branch2][Ring1][Ring2][N][N][=N][N][=C][Ring1][Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C18H18ClFN6O/c19-13-6-3-7-14(20)16(13)17-23-24-25-26(17)12-8-15(21-10-12)18(27)22-9-11-4-1-2-5-11/h3,6-8,10-11,21H,1-2,4-5,9H2,(H,22,27)
SMILES: O=C(NCC1CCCO1)c1cc(-n2nnnc2-c2ccccc2F)c[nH]1
SELFIES: [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][Branch1][P][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][NH1][Ring1][P]
InChI: InChI=1S/C17H17FN6O2/c18-14-6-2-1-5-13(14)16-21-22-23-24(16)11-8-15(19-9-11)17(25)20-10-12-4-3-7-26-12/h1-2,5-6,8-9,12,19H,3-4,7,10H2,(H,20,25)
SMILES: O=C1N=NC(c2c[nH]c(C(=O)Nc3ncc[nH]3)c2)=C1c1cccc(F)c1F
SELFIES: [O][=C][N][=N][C][Branch2][Ring1][=Branch1][C][=C][NH1][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][NH1][Ring1][Branch1][=C][Ring1][=N][=C][Ring2][Ring1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C17H10F2N6O2/c18-10-3-1-2-9(13(10)19)12-14(24-25-16(12)27)8-6-11(22-7-8)15(26)23-17-20-4-5-21-17/h1-7,22H,(H2,20,21,23,26)
SMILES: O=C1N=NC(c2c[nH]c(C(=O)N3CCCC3)c2)=C1c1cccc(Cl)c1Cl
SELFIES: [O][=C][N][=N][C][Branch2][Ring1][Branch1][C][=C][NH1][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][N][=C][Ring1][P][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]
InChI: InChI=1S/C18H14Cl2N4O2/c19-12-5-3-4-11(15(12)20)14-16(22-23-17(14)25)10-8-13(21-9-10)18(26)24-6-1-2-7-24/h3-5,8-9,21H,1-2,6-7H2
SMILES: O=C1N=NC(c2c[nH]c(C(=O)NCC3CCCC3)c2)=C1c1cccc(F)c1Cl
SELFIES: [O][=C][N][=N][C][Branch2][Ring1][#Branch1][C][=C][NH1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][Branch1][=C][Ring1][=C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][Cl]
InChI: InChI=1S/C20H18ClFN4O2/c21-17-13(6-3-7-14(17)22)16-18(25-26-20(16)28)12-8-15(23-10-12)19(27)24-9-11-4-1-2-5-11/h3,6-8,10-11,23H,1-2,4-5,9H2,(H,24,27)
SMILES: O=C1N=NC(c2c[nH]c(C(=O)NCC3CCCO3)c2)=C1c1cccc(F)c1Cl
SELFIES: [O][=C][N][=N][C][Branch2][Ring1][#Branch1][C][=C][NH1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][Ring1][=C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][Cl]
InChI: InChI=1S/C19H16ClFN4O3/c20-16-12(4-1-5-13(16)21)15-17(24-25-19(15)27)10-7-14(22-8-10)18(26)23-9-11-3-2-6-28-11/h1,4-5,7-8,11,22H,2-3,6,9H2,(H,23,26)
SMILES: O=C(NC[C@@H]1CCCO1)c1cc(-c2n[nH]c(=O)n2-c2cccc(F)c2F)c[nH]1
SELFIES: [O][=C][Branch1][#Branch2][N][C][C@@H1][C][C][C][O][Ring1][Branch1][C][=C][C][Branch2][Ring1][#Branch1][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][Ring1]
InChI: InChI=1S/C18H17F2N5O3/c19-12-4-1-5-14(15(12)20)25-16(23-24-18(25)27)10-7-13(21-8-10)17(26)22-9-11-3-2-6-28-11/h1,4-5,7-8,11,21H,2-3,6,9H2,(H,22,26)(H,24,27)/t11-/m0/s1
SMILES: Nc1nnc(-c2c[nH]c(C(=O)NC[C@@H]3CCCO3)c2)n1-c1cccc(F)c1F
SELFIES: [N][C][=N][N][=C][Branch2][Ring1][#Branch1][C][=C][NH1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][O][Ring1][Branch1][=C][Ring1][=C][N][Ring2][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C18H18F2N6O2/c19-12-4-1-5-14(15(12)20)26-16(24-25-18(26)21)10-7-13(22-8-10)17(27)23-9-11-3-2-6-28-11/h1,4-5,7-8,11,22H,2-3,6,9H2,(H2,21,25)(H,23,27)/t11-/m0/s1
SMILES: O=C(c1cc(-c2nncn2-c2cccc(F)c2F)c[nH]1)N1CC=CC1
SELFIES: [O][=C][Branch2][Ring1][#C][C][=C][C][Branch2][Ring1][Ring2][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C][N][C][C][=C][C][Ring1][Branch1]
InChI: InChI=1S/C17H13F2N5O/c18-12-4-3-5-14(15(12)19)24-10-21-22-16(24)11-8-13(20-9-11)17(25)23-6-1-2-7-23/h1-5,8-10,20H,6-7H2
SMILES: O=C(c1cc(-n2nnnc2-c2cccc(F)c2F)c[nH]1)N1CC=CC1
SELFIES: [O][=C][Branch2][Ring1][#C][C][=C][C][Branch2][Ring1][Ring2][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C][N][C][C][=C][C][Ring1][Branch1]
InChI: InChI=1S/C16H12F2N6O/c17-12-5-3-4-11(14(12)18)15-20-21-22-24(15)10-8-13(19-9-10)16(25)23-6-1-2-7-23/h1-5,8-9,19H,6-7H2
SMILES: O=C(NC[C@@H]1CCCO1)c1cc(-c2nncn2-c2cccc(Cl)c2Cl)c[nH]1
SELFIES: [O][=C][Branch1][#Branch2][N][C][C@@H1][C][C][C][O][Ring1][Branch1][C][=C][C][Branch2][Ring1][Ring2][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C18H17Cl2N5O2/c19-13-4-1-5-15(16(13)20)25-10-23-24-17(25)11-7-14(21-8-11)18(26)22-9-12-3-2-6-27-12/h1,4-5,7-8,10,12,21H,2-3,6,9H2,(H,22,26)/t12-/m0/s1
SMILES: O=C(c1cc(-c2nncn2-c2cccc(Cl)c2Cl)c[nH]1)N1CC=CC1
SELFIES: [O][=C][Branch2][Ring1][#C][C][=C][C][Branch2][Ring1][Ring2][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=C][NH1][Ring2][Ring1][C][N][C][C][=C][C][Ring1][Branch1]
InChI: InChI=1S/C17H13Cl2N5O/c18-12-4-3-5-14(15(12)19)24-10-21-22-16(24)11-8-13(20-9-11)17(25)23-6-1-2-7-23/h1-5,8-10,20H,6-7H2
SMILES: O=C(NCCCn1ccnc1)c1cc(-c2nncn2-c2cccc(Cl)c2Cl)c[nH]1
SELFIES: [O][=C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][Branch2][Ring1][Ring2][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C19H17Cl2N7O/c20-14-3-1-4-16(17(14)21)28-12-25-26-18(28)13-9-15(24-10-13)19(29)23-5-2-7-27-8-6-22-11-27/h1,3-4,6,8-12,24H,2,5,7H2,(H,23,29)
SMILES: O=C(NCCCn1ccnc1)c1cc(-n2cnnc2-c2cccc(F)c2F)c[nH]1
SELFIES: [O][=C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][Branch2][Ring1][Ring2][N][C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C19H17F2N7O/c20-15-4-1-3-14(17(15)21)18-26-25-12-28(18)13-9-16(24-10-13)19(29)23-5-2-7-27-8-6-22-11-27/h1,3-4,6,8-12,24H,2,5,7H2,(H,23,29)
SMILES: O=C(NC[C@@H]1CCCO1)c1cc(-n2cnnc2-c2cccc(F)c2F)c[nH]1
SELFIES: [O][=C][Branch1][#Branch2][N][C][C@@H1][C][C][C][O][Ring1][Branch1][C][=C][C][Branch2][Ring1][Ring2][N][C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C18H17F2N5O2/c19-14-5-1-4-13(16(14)20)17-24-23-10-25(17)11-7-15(21-8-11)18(26)22-9-12-3-2-6-27-12/h1,4-5,7-8,10,12,21H,2-3,6,9H2,(H,22,26)/t12-/m0/s1
SMILES: O=C(c1cc(-c2[nH]nnc2-c2cccc(F)c2F)c[nH]1)N1CCCC1
SELFIES: [O][=C][Branch2][Ring1][#C][C][=C][C][Branch2][Ring1][Ring2][C][NH1][N][=N][C][=Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C17H15F2N5O/c18-12-5-3-4-11(14(12)19)16-15(21-23-22-16)10-8-13(20-9-10)17(25)24-6-1-2-7-24/h3-5,8-9,20H,1-2,6-7H2,(H,21,22,23)
SMILES: CCc1cc(-c2ccc(F)cc2)cc2c3c([nH]c12)C(CC)(CCO)OCC3
SELFIES: [C][C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][C][=C][Branch1][#Branch1][NH1][C][Ring1][S][=Ring1][Branch1][C][Branch1][Ring1][C][C][Branch1][Ring2][C][C][O][O][C][C][Ring1][=N]
InChI: InChI=1S/C23H26FNO2/c1-3-15-13-17(16-5-7-18(24)8-6-16)14-20-19-9-12-27-23(4-2,10-11-26)22(19)25-21(15)20/h5-8,13-14,25-26H,3-4,9-12H2,1-2H3
SMILES: CCc1cc(-c2ccc3c(c2)OCO3)cc2c3c([nH]c12)C(CC)(CCO)OCC3
SELFIES: [C][C][C][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][C][C][=C][Branch1][Branch2][NH1][C][Ring2][Ring1][C][=Ring1][Branch1][C][Branch1][Ring1][C][C][Branch1][Ring2][C][C][O][O][C][C][Ring1][=N]
InChI: InChI=1S/C24H27NO4/c1-3-15-11-17(16-5-6-20-21(13-16)28-14-27-20)12-19-18-7-10-29-24(4-2,8-9-26)23(18)25-22(15)19/h5-6,11-13,25-26H,3-4,7-10,14H2,1-2H3
SMILES: CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)NC)OCC3
SELFIES: [C][C][C][=C][C][=C][C][C][=C][Branch1][#Branch1][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][Ring1][C][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][C][O][C][C][Ring1][#C]
InChI: InChI=1S/C18H24N2O2/c1-4-12-7-6-8-13-14-9-10-22-18(5-2,11-15(21)19-3)17(14)20-16(12)13/h6-8,20H,4-5,9-11H2,1-3H3,(H,19,21)
SMILES: CCc1cc(-c2cc3ccccc3s2)cc2c3c([nH]c12)C(CC)(CCO)OCC3
SELFIES: [C][C][C][=C][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][C][C][=C][Branch1][Branch2][NH1][C][Ring2][Ring1][C][=Ring1][Branch1][C][Branch1][Ring1][C][C][Branch1][Ring2][C][C][O][O][C][C][Ring1][=N]
InChI: InChI=1S/C25H27NO2S/c1-3-16-13-18(22-15-17-7-5-6-8-21(17)29-22)14-20-19-9-12-28-25(4-2,10-11-27)24(19)26-23(16)20/h5-8,13-15,26-27H,3-4,9-12H2,1-2H3
SMILES: CCc1cc(-c2ccc(C)cc2)cc2c3c([nH]c12)C(CC)(CCO)OCC3
SELFIES: [C][C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][C][=C][Branch1][#Branch1][NH1][C][Ring1][S][=Ring1][Branch1][C][Branch1][Ring1][C][C][Branch1][Ring2][C][C][O][O][C][C][Ring1][=N]
InChI: InChI=1S/C24H29NO2/c1-4-17-14-19(18-8-6-16(3)7-9-18)15-21-20-10-13-27-24(5-2,11-12-26)23(20)25-22(17)21/h6-9,14-15,25-26H,4-5,10-13H2,1-3H3
SMILES: Cc1ccc(N2C(=O)/C(=N\Nc3cccc(-c4cccc(C(=O)O)c4)c3O)c3ccccc32)cc1C
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][P][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][=N][=N][\N][C][=C][C][=C][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][=C][Ring1][#C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N][C][=C][Ring2][Ring2][C][C]
InChI: InChI=1S/C29H23N3O4/c1-17-13-14-21(15-18(17)2)32-25-12-4-3-9-23(25)26(28(32)34)31-30-24-11-6-10-22(27(24)33)19-7-5-8-20(16-19)29(35)36/h3-16,30,33H,1-2H3,(H,35,36)/b31-26-
SMILES: CCCc1ccc(N2C(=O)/C(=N\Nc3cccc(-c4cccc(C(=O)O)c4)c3O)c3ccccc32)cc1
SELFIES: [C][C][C][C][=C][C][=C][Branch2][Ring2][P][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][=N][=N][\N][C][=C][C][=C][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][=C][Ring1][#C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N][C][=C][Ring2][Ring2][C]
InChI: InChI=1S/C30H25N3O4/c1-2-7-19-14-16-22(17-15-19)33-26-13-4-3-10-24(26)27(29(33)35)32-31-25-12-6-11-23(28(25)34)20-8-5-9-21(18-20)30(36)37/h3-6,8-18,31,34H,2,7H2,1H3,(H,36,37)/b32-27-
SMILES: CCc1ccc(N2C(=O)/C(=N\Nc3cccc(-c4cccc(C(=O)O)c4)c3O)c3ccccc32)cc1
SELFIES: [C][C][C][=C][C][=C][Branch2][Ring2][P][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][=N][=N][\N][C][=C][C][=C][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][=C][Ring1][#C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N][C][=C][Ring2][Ring2][C]
InChI: InChI=1S/C29H23N3O4/c1-2-18-13-15-21(16-14-18)32-25-12-4-3-9-23(25)26(28(32)34)31-30-24-11-6-10-22(27(24)33)19-7-5-8-20(17-19)29(35)36/h3-17,30,33H,2H2,1H3,(H,35,36)/b31-26-
SMILES: O=C(O)c1cccc(-c2cccc(N/N=C3\C(=O)N(c4ccc(OC(F)(F)F)cc4)c4ccccc43)c2O)c1
SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Branch1][#Branch1][C][=C][C][=C][C][Branch2][Ring2][#Branch2][N][/N][=C][\C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=N][O][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H18F3N3O5/c29-28(30,31)39-19-13-11-18(12-14-19)34-23-10-2-1-7-21(23)24(26(34)36)33-32-22-9-4-8-20(25(22)35)16-5-3-6-17(15-16)27(37)38/h1-15,32,35H,(H,37,38)/b33-24-
SMILES: COc1ccc(N2C(=O)/C(=N\Nc3cccc(-c4cccc(C(=O)O)c4)c3O)c3ccccc32)cc1F
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][P][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][=N][=N][\N][C][=C][C][=C][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][=C][Ring1][#C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N][C][=C][Ring2][Ring2][C][F]
InChI: InChI=1S/C28H20FN3O5/c1-37-24-13-12-18(15-21(24)29)32-23-11-3-2-8-20(23)25(27(32)34)31-30-22-10-5-9-19(26(22)33)16-6-4-7-17(14-16)28(35)36/h2-15,30,33H,1H3,(H,35,36)/b31-25-
SMILES: Cc1ccc(N2C(=O)/C(=N\Nc3cccc(-c4ccc(C(=O)O)cc4)c3O)c3ccccc32)cc1C
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][P][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][=N][=N][\N][C][=C][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][Ring1][#C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N][C][=C][Ring2][Ring2][C][C]
InChI: InChI=1S/C29H23N3O4/c1-17-10-15-21(16-18(17)2)32-25-9-4-3-6-23(25)26(28(32)34)31-30-24-8-5-7-22(27(24)33)19-11-13-20(14-12-19)29(35)36/h3-16,30,33H,1-2H3,(H,35,36)/b31-26-
SMILES: CCCc1ccc(N2C(=O)/C(=N\Nc3cccc(-c4ccc(C(=O)O)cc4)c3O)c3ccccc32)cc1
SELFIES: [C][C][C][C][=C][C][=C][Branch2][Ring2][P][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][=N][=N][\N][C][=C][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][Ring1][#C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N][C][=C][Ring2][Ring2][C]
InChI: InChI=1S/C30H25N3O4/c1-2-6-19-11-17-22(18-12-19)33-26-10-4-3-7-24(26)27(29(33)35)32-31-25-9-5-8-23(28(25)34)20-13-15-21(16-14-20)30(36)37/h3-5,7-18,31,34H,2,6H2,1H3,(H,36,37)/b32-27-
SMILES: CCc1ccc(N2C(=O)/C(=N\Nc3cccc(-c4ccc(C(=O)O)cc4)c3O)c3ccccc32)cc1
SELFIES: [C][C][C][=C][C][=C][Branch2][Ring2][P][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][=N][=N][\N][C][=C][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][Ring1][#C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N][C][=C][Ring2][Ring2][C]
InChI: InChI=1S/C29H23N3O4/c1-2-18-10-16-21(17-11-18)32-25-9-4-3-6-23(25)26(28(32)34)31-30-24-8-5-7-22(27(24)33)19-12-14-20(15-13-19)29(35)36/h3-17,30,33H,2H2,1H3,(H,35,36)/b31-26-
SMILES: O=C(O)c1cccc(-c2cccc(N/N=C3\C(=O)N(c4ccc(C(F)(F)F)cc4)c4ccccc43)c2O)c1
SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Branch1][=Branch1][C][=C][C][=C][C][Branch2][Ring2][=Branch2][N][/N][=C][\C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][=C][Ring2][Ring1][N][O][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C28H18F3N3O4/c29-28(30,31)18-11-13-19(14-12-18)34-23-10-2-1-7-21(23)24(26(34)36)33-32-22-9-4-8-20(25(22)35)16-5-3-6-17(15-16)27(37)38/h1-15,32,35H,(H,37,38)/b33-24-
SMILES: O=C(O)c1cccc(-c2cccc(N/N=C3\C(=O)N(Cc4ccccc4)c4ccc(Cl)cc43)c2O)c1
SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring2][#C][C][=C][C][=C][C][Branch2][Ring2][C][N][/N][=C][\C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][C][=C][Ring2][Ring1][#Branch2][O][=C][Ring2][Ring1][P]
InChI: InChI=1S/C28H20ClN3O4/c29-20-12-13-24-22(15-20)25(27(34)32(24)16-17-6-2-1-3-7-17)31-30-23-11-5-10-21(26(23)33)18-8-4-9-19(14-18)28(35)36/h1-15,30,33H,16H2,(H,35,36)/b31-25-
SMILES: Cc1ccc2c(c1)/C(=N/Nc1cccc(-c3cccc(C(=O)O)c3)c1O)C(=O)N2Cc1ccccc1
SELFIES: [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch2][Ring1][=N][=N][/N][C][=C][C][=C][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][=C][Ring1][#C][O][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C29H23N3O4/c1-18-13-14-25-23(15-18)26(28(34)32(25)17-19-7-3-2-4-8-19)31-30-24-12-6-11-22(27(24)33)20-9-5-10-21(16-20)29(35)36/h2-16,30,33H,17H2,1H3,(H,35,36)/b31-26-
SMILES: O=C(O)c1cccc(-c2cccc(N/N=C3\C(=O)N(Cc4ccccc4)c4ccccc43)c2O)c1
SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring2][O][C][=C][C][=C][C][Branch2][Ring1][=C][N][/N][=C][\C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P][=C][Ring2][Ring1][=Branch2][O][=C][Ring2][Ring1][S]
InChI: InChI=1S/C28H21N3O4/c32-26-21(19-10-6-11-20(16-19)28(34)35)13-7-14-23(26)29-30-25-22-12-4-5-15-24(22)31(27(25)33)17-18-8-2-1-3-9-18/h1-16,29,32H,17H2,(H,34,35)/b30-25-
SMILES: O=C(O)c1ccc(-c2cccc(N/N=C3\C(=O)N(c4ccc(C(F)(F)F)cc4)c4ccccc43)c2O)cc1
SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=C][C][=C][C][Branch2][Ring2][=Branch2][N][/N][=C][\C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][=C][Ring2][Ring1][N][O][C][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C28H18F3N3O4/c29-28(30,31)18-12-14-19(15-13-18)34-23-7-2-1-4-21(23)24(26(34)36)33-32-22-6-3-5-20(25(22)35)16-8-10-17(11-9-16)27(37)38/h1-15,32,35H,(H,37,38)/b33-24-