EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)NC1CCN(Cc2ccccc2)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C24H30FN3O3/c1-24(2,3)31-23(30)27-21-19(10-7-11-20(21)25)22(29)26-18-12-14-28(15-13-18)16-17-8-5-4-6-9-17/h4-11,18H,12-16H2,1-3H3,(H,26,29)(H,27,30)
SMILES: Nc1c(F)cccc1C(=O)NC1CCN(Cc2ccccc2)CC1
SELFIES: [N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C19H22FN3O/c20-17-8-4-7-16(18(17)21)19(24)22-15-9-11-23(12-10-15)13-14-5-2-1-3-6-14/h1-8,15H,9-13,21H2,(H,22,24)
SMILES: Nc1c(F)cccc1CNC1CCN(Cc2ccccc2)CC1
SELFIES: [N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C19H24FN3/c20-18-8-4-7-16(19(18)21)13-22-17-9-11-23(12-10-17)14-15-5-2-1-3-6-15/h1-8,17,22H,9-14,21H2
SMILES: O=C1Nc2c(F)cccc2CN1C1CCN(Cc2ccccc2)CC1
SELFIES: [O][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][N][Ring1][O][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C20H22FN3O/c21-18-8-4-7-16-14-24(20(25)22-19(16)18)17-9-11-23(12-10-17)13-15-5-2-1-3-6-15/h1-8,17H,9-14H2,(H,22,25)
SMILES: O=C1Nc2c(F)cccc2CN1C1CCNCC1
SELFIES: [O][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][N][Ring1][O][C][C][C][N][C][C][Ring1][=Branch1]
InChI: InChI=1S/C13H16FN3O/c14-11-3-1-2-9-8-17(13(18)16-12(9)11)10-4-6-15-7-5-10/h1-3,10,15H,4-8H2,(H,16,18)
SMILES: O=c1[nH]c2c(F)cccc2c(=O)n1C1CCN(Cc2ccccc2)CC1
SELFIES: [O][=C][NH1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C20H20FN3O2/c21-17-8-4-7-16-18(17)22-20(26)24(19(16)25)15-9-11-23(12-10-15)13-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,22,26)
SMILES: O=c1[nH]c2c(F)cccc2c(=O)n1C1CCNCC1
SELFIES: [O][=C][NH1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1]
InChI: InChI=1S/C13H14FN3O2/c14-10-3-1-2-9-11(10)16-13(19)17(12(9)18)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2,(H,16,19)
SMILES: O=C1Nc2c(F)cccc2C2(CCN(Cc3ccccc3)CC2)N1
SELFIES: [O][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][Branch2][Ring1][Ring1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][N][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C19H20FN3O/c20-16-8-4-7-15-17(16)21-18(24)22-19(15)9-11-23(12-10-19)13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H2,21,22,24)
SMILES: O=C1Nc2c(F)cccc2C2(CCNCC2)N1
SELFIES: [O][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][Branch1][Branch2][C][C][N][C][C][Ring1][=Branch1][N][Ring1][S]
InChI: InChI=1S/C12H14FN3O/c13-9-3-1-2-8-10(9)15-11(17)16-12(8)4-6-14-7-5-12/h1-3,14H,4-7H2,(H2,15,16,17)
SMILES: CCc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCc3[nH]ncc3C2)cc2cn[nH]c12
SELFIES: [C][C][C][=C][C][Branch2][Branch1][Branch1][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][NH1][N][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][=C][C][C][=N][NH1][C][Ring2][Ring2][#Branch2][=Ring1][Branch1]
InChI: InChI=1S/C32H37N9O3/c1-2-21-13-20(14-23-16-34-38-29(21)23)15-28(30(42)40-12-9-27-24(18-40)17-33-37-27)36-31(43)39-10-7-25(8-11-39)41-19-22-5-3-4-6-26(22)35-32(41)44/h3-6,13-14,16-17,25,28H,2,7-12,15,18-19H2,1H3,(H,33,37)(H,34,38)(H,35,44)(H,36,43)
SMILES: CCc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2Cc3cn[nH]c3C(C)(C)C2)cc2cn[nH]c12
SELFIES: [C][C][C][=C][C][Branch2][Branch1][O][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][O][=C][C][C][=N][NH1][C][Ring2][Ring2][N][=Ring1][Branch1]
InChI: InChI=1S/C34H41N9O3/c1-4-22-13-21(14-24-16-35-39-29(22)24)15-28(31(44)42-18-25-17-36-40-30(25)34(2,3)20-42)38-32(45)41-11-9-26(10-12-41)43-19-23-7-5-6-8-27(23)37-33(43)46/h5-8,13-14,16-17,26,28H,4,9-12,15,18-20H2,1-3H3,(H,35,39)(H,36,40)(H,37,46)(H,38,45)
SMILES: COC(=O)C(Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(N2Cc3cccc(F)c3NC2=O)CC1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][Ring1][O][=O][C][C][Ring2][Ring1][C]
InChI: InChI=1S/C26H29FN6O4/c1-15-10-16(11-18-13-28-31-22(15)18)12-21(24(34)37-2)29-25(35)32-8-6-19(7-9-32)33-14-17-4-3-5-20(27)23(17)30-26(33)36/h3-5,10-11,13,19,21H,6-9,12,14H2,1-2H3,(H,28,31)(H,29,35)(H,30,36)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][#C][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][Ring1][O][=O][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][=C][=Ring1][Branch1]
InChI: InChI=1S/C35H45FN8O3/c1-23-18-24(19-26-21-37-40-31(23)26)20-30(33(45)42-14-8-27(9-15-42)41-12-3-2-4-13-41)38-34(46)43-16-10-28(11-17-43)44-22-25-6-5-7-29(36)32(25)39-35(44)47/h5-7,18-19,21,27-28,30H,2-4,8-17,20,22H2,1H3,(H,37,40)(H,38,46)(H,39,47)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)C(=O)N2CCN(c3ccccc3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][#C][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][Ring1][O][=O][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][=C][=Ring1][Branch1]
InChI: InChI=1S/C35H39FN8O3/c1-23-18-24(19-26-21-37-40-31(23)26)20-30(33(45)42-16-14-41(15-17-42)27-7-3-2-4-8-27)38-34(46)43-12-10-28(11-13-43)44-22-25-6-5-9-29(36)32(25)39-35(44)47/h2-9,18-19,21,28,30H,10-17,20,22H2,1H3,(H,37,40)(H,38,46)(H,39,47)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][=Branch1][C][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][Ring1][O][=O][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][=C][C][C][=N][NH1][C][Ring2][Ring2][#C][=Ring1][Branch1]
InChI: InChI=1S/C35H38F2N8O3/c1-22-17-23(18-25-20-38-41-31(22)25)19-30(33(46)43-15-13-42(14-16-43)27-7-5-26(36)6-8-27)39-34(47)44-11-9-28(10-12-44)45-21-24-3-2-4-29(37)32(24)40-35(45)48/h2-8,17-18,20,28,30H,9-16,19,21H2,1H3,(H,38,41)(H,39,47)(H,40,48)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)C(=O)N2CCN(c3ccccc3F)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][S][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][Ring1][O][=O][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N][=C][C][C][=N][NH1][C][Ring2][Ring2][#C][=Ring1][Branch1]
InChI: InChI=1S/C35H38F2N8O3/c1-22-17-23(18-25-20-38-41-31(22)25)19-29(33(46)43-15-13-42(14-16-43)30-8-3-2-6-27(30)36)39-34(47)44-11-9-26(10-12-44)45-21-24-5-4-7-28(37)32(24)40-35(45)48/h2-8,17-18,20,26,29H,9-16,19,21H2,1H3,(H,38,41)(H,39,47)(H,40,48)
SMILES: Cc1ccccc1N1CCN(C(=O)C(Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)CC1
SELFIES: [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Branch1][=N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][Ring1][O][=O][C][C][Ring2][Ring1][C][C][C][Ring2][Ring2][=Branch2]
InChI: InChI=1S/C36H41FN8O3/c1-23-6-3-4-9-31(23)42-14-16-43(17-15-42)34(46)30(20-25-18-24(2)32-27(19-25)21-38-41-32)39-35(47)44-12-10-28(11-13-44)45-22-26-7-5-8-29(37)33(26)40-36(45)48/h3-9,18-19,21,28,30H,10-17,20,22H2,1-2H3,(H,38,41)(H,39,47)(H,40,48)
SMILES: CCc1cc(CC(NC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)C(=O)OC)cc2c(C)n[nH]c12
SELFIES: [C][C][C][=C][C][Branch2][Ring2][#C][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][Ring1][O][=O][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][O][C][=C][C][C][Branch1][C][C][=N][NH1][C][Ring2][Ring2][Branch1][=Ring1][=Branch1]
InChI: InChI=1S/C28H33FN6O4/c1-4-18-12-17(13-21-16(2)32-33-24(18)21)14-23(26(36)39-3)30-27(37)34-10-8-20(9-11-34)35-15-19-6-5-7-22(29)25(19)31-28(35)38/h5-7,12-13,20,23H,4,8-11,14-15H2,1-3H3,(H,30,37)(H,31,38)(H,32,33)
SMILES: CCc1cc(CC(NC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2c(C)n[nH]c12
SELFIES: [C][C][C][=C][C][Branch2][Branch1][#C][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][Ring1][O][=O][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][Branch1][C][C][=N][NH1][C][Ring2][Ring2][#C][=Ring1][=Branch1]
InChI: InChI=1S/C37H49FN8O3/c1-3-26-20-25(21-30-24(2)41-42-33(26)30)22-32(35(47)44-16-10-28(11-17-44)43-14-5-4-6-15-43)39-36(48)45-18-12-29(13-19-45)46-23-27-8-7-9-31(38)34(27)40-37(46)49/h7-9,20-21,28-29,32H,3-6,10-19,22-23H2,1-2H3,(H,39,48)(H,40,49)(H,41,42)
SMILES: O=C(N[C@H](Cc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3cccc(F)c3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][=N][N][C@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][N][C][C][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][Ring1][O][=O][C][C][Ring2][Ring1][C]
InChI: InChI=1S/C34H42FN7O5/c35-26-6-4-5-23-21-42(33(45)38-30(23)26)25-11-17-41(18-12-25)32(44)36-28(19-22-7-8-27-29(20-22)47-34(46)37-27)31(43)40-15-9-24(10-16-40)39-13-2-1-3-14-39/h4-8,20,24-25,28H,1-3,9-19,21H2,(H,36,44)(H,37,46)(H,38,45)/t28-/m1/s1
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)NC(=O)Nc2c(F)cccc23)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][=C][C][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][=N][=Ring1][Branch1]
InChI: InChI=1S/C34H43FN8O3/c1-22-18-23(19-24-21-36-40-29(22)24)20-28(31(44)42-14-8-25(9-15-42)41-12-3-2-4-13-41)37-33(46)43-16-10-34(11-17-43)26-6-5-7-27(35)30(26)38-32(45)39-34/h5-7,18-19,21,25,28H,2-4,8-17,20H2,1H3,(H,36,40)(H,37,46)(H2,38,39,45)
SMILES: Cc1cc(CC(NC(=O)N2CCC(n3c(=O)[nH]c4c(F)cccc4c3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][=Branch1][C][C][C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][NH1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][Ring1][N][=O][C][C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][#C][=Ring1][Branch1]
InChI: InChI=1S/C35H43FN8O4/c1-22-18-23(19-24-21-37-40-30(22)24)20-29(33(46)42-14-8-25(9-15-42)41-12-3-2-4-13-41)38-34(47)43-16-10-26(11-17-43)44-32(45)27-6-5-7-28(36)31(27)39-35(44)48/h5-7,18-19,21,25-26,29H,2-4,8-17,20H2,1H3,(H,37,40)(H,38,47)(H,39,48)
SMILES: COC(=O)[C@H](N)Cc1ccc2[nH]c(C(F)(F)F)nc2c1
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=Branch2][=C][Ring1][=N]
InChI: InChI=1S/C12H12F3N3O2/c1-20-10(19)7(16)4-6-2-3-8-9(5-6)18-11(17-8)12(13,14)15/h2-3,5,7H,4,16H2,1H3,(H,17,18)/t7-/m1/s1
SMILES: O=C(N[C@H](Cc1ccc2[nH]c(C(F)(F)F)nc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Branch1][Ring2][N][C@H1][Branch2][Ring1][=Branch2][C][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=Branch2][=C][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C35H43F3N8O3/c36-35(37,38)32-39-28-9-8-23(20-29(28)40-32)21-30(31(47)44-16-10-25(11-17-44)43-14-4-1-5-15-43)42-33(48)45-18-12-26(13-19-45)46-22-24-6-2-3-7-27(24)41-34(46)49/h2-3,6-9,20,25-26,30H,1,4-5,10-19,21-22H2,(H,39,40)(H,41,49)(H,42,48)/t30-/m1/s1
SMILES: CN(C)C(=O)[C@@H](Cc1ccc2[nH]c(C(F)(F)F)nc2c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch2][C][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=Branch2][=C][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C27H30F3N7O3/c1-35(2)23(38)22(14-16-7-8-20-21(13-16)32-24(31-20)27(28,29)30)34-25(39)36-11-9-18(10-12-36)37-15-17-5-3-4-6-19(17)33-26(37)40/h3-8,13,18,22H,9-12,14-15H2,1-2H3,(H,31,32)(H,33,40)(H,34,39)/t22-/m1/s1
SMILES: COC(=O)[C@@H](Cc1ccc2[nH]c(=O)[nH]c2c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C19H19N3O5/c1-26-17(23)16(22-19(25)27-11-12-5-3-2-4-6-12)10-13-7-8-14-15(9-13)21-18(24)20-14/h2-9,16H,10-11H2,1H3,(H,22,25)(H2,20,21,24)/t16-/m1/s1
SMILES: COC(=O)[C@H](N)Cc1ccc2[nH]c(=O)[nH]c2c1
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C11H13N3O3/c1-17-10(15)7(12)4-6-2-3-8-9(5-6)14-11(16)13-8/h2-3,5,7H,4,12H2,1H3,(H2,13,14,16)/t7-/m1/s1
SMILES: COC(=O)[C@@H](Cc1ccc2[nH]c(=O)[nH]c2c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C25H28N6O5/c1-36-22(32)21(13-15-6-7-19-20(12-15)27-23(33)26-19)29-24(34)30-10-8-17(9-11-30)31-14-16-4-2-3-5-18(16)28-25(31)35/h2-7,12,17,21H,8-11,13-14H2,1H3,(H,28,35)(H,29,34)(H2,26,27,33)/t21-/m1/s1
SMILES: O=C(O)[C@@H](Cc1ccc2[nH]c(=O)[nH]c2c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch1][C][O][C@@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C24H26N6O5/c31-21(32)20(12-14-5-6-18-19(11-14)26-22(33)25-18)28-23(34)29-9-7-16(8-10-29)30-13-15-3-1-2-4-17(15)27-24(30)35/h1-6,11,16,20H,7-10,12-13H2,(H,27,35)(H,28,34)(H,31,32)(H2,25,26,33)/t20-/m1/s1
SMILES: O=C(N[C@H](Cc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][=N][N][C@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C34H44N8O4/c43-31(40-16-10-25(11-17-40)39-14-4-1-5-15-39)30(21-23-8-9-28-29(20-23)36-32(44)35-28)38-33(45)41-18-12-26(13-19-41)42-22-24-6-2-3-7-27(24)37-34(42)46/h2-3,6-9,20,25-26,30H,1,4-5,10-19,21-22H2,(H,37,46)(H,38,45)(H2,35,36,44)/t30-/m1/s1
SMILES: CN(C)C(=O)[C@@H](Cc1ccc2[nH]c(=O)[nH]c2c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C26H31N7O4/c1-31(2)23(34)22(14-16-7-8-20-21(13-16)28-24(35)27-20)30-25(36)32-11-9-18(10-12-32)33-15-17-5-3-4-6-19(17)29-26(33)37/h3-8,13,18,22H,9-12,14-15H2,1-2H3,(H,29,37)(H,30,36)(H2,27,28,35)/t22-/m1/s1
SMILES: COC(=O)[C@@H](Cc1ccc2[nH]c(=O)[nH]c2c1)NC(=O)N1CCC2(CC1)NC(=O)Nc1ccccc12
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N]
InChI: InChI=1S/C24H26N6O5/c1-35-20(31)19(13-14-6-7-17-18(12-14)27-21(32)26-17)28-23(34)30-10-8-24(9-11-30)15-4-2-3-5-16(15)25-22(33)29-24/h2-7,12,19H,8-11,13H2,1H3,(H,28,34)(H2,25,29,33)(H2,26,27,32)/t19-/m1/s1
SMILES: O=C1Nc2ccccc2C2(CCN(C(=O)N[C@H](Cc3ccc4[nH]c(=O)[nH]c4c3)C(=O)O)CC2)N1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring2][O][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][Branch2][N][Ring2][Ring1][P]
InChI: InChI=1S/C23H24N6O5/c30-19(31)18(12-13-5-6-16-17(11-13)26-20(32)25-16)27-22(34)29-9-7-23(8-10-29)14-3-1-2-4-15(14)24-21(33)28-23/h1-6,11,18H,7-10,12H2,(H,27,34)(H,30,31)(H2,24,28,33)(H2,25,26,32)/t18-/m1/s1
SMILES: O=C1Nc2ccccc2C2(CCN(C(=O)N[C@H](Cc3ccc4[nH]c(=O)[nH]c4c3)C(=O)N3CCC(N4CCCCC4)CC3)CC2)N1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Branch1][N][C][C][N][Branch2][Ring2][P][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring2][Ring2][Ring1][N][Ring2][Ring2][N]
InChI: InChI=1S/C33H42N8O4/c42-29(40-16-10-23(11-17-40)39-14-4-1-5-15-39)28(21-22-8-9-26-27(20-22)36-30(43)35-26)37-32(45)41-18-12-33(13-19-41)24-6-2-3-7-25(24)34-31(44)38-33/h2-3,6-9,20,23,28H,1,4-5,10-19,21H2,(H,37,45)(H2,34,38,44)(H2,35,36,43)/t28-/m1/s1
SMILES: CC(=O)Nc1ccc(C(=O)O)cc1C
SELFIES: [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C]
InChI: InChI=1S/C10H11NO3/c1-6-5-8(10(13)14)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)(H,13,14)
SMILES: CC(=O)Nc1c(C)cc(C(=O)O)cc1[N+](=O)[O-]
SELFIES: [C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1]
InChI: InChI=1S/C10H10N2O5/c1-5-3-7(10(14)15)4-8(12(16)17)9(5)11-6(2)13/h3-4H,1-2H3,(H,11,13)(H,14,15)
SMILES: Cc1cc(C(=O)O)cc([N+](=O)[O-])c1N
SELFIES: [C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][N]
InChI: InChI=1S/C8H8N2O4/c1-4-2-5(8(11)12)3-6(7(4)9)10(13)14/h2-3H,9H2,1H3,(H,11,12)
SMILES: Cc1cc(C(=O)O)cc([N+](=O)[O-])c1[N+](=O)[O-]
SELFIES: [C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][N+1][=Branch1][C][=O][O-1]
InChI: InChI=1S/C8H6N2O6/c1-4-2-5(8(11)12)3-6(9(13)14)7(4)10(15)16/h2-3H,1H3,(H,11,12)
SMILES: Cc1cc(CO)cc([N+](=O)[O-])c1[N+](=O)[O-]
SELFIES: [C][C][=C][C][Branch1][Ring1][C][O][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O][N+1][=Branch1][C][=O][O-1]
InChI: InChI=1S/C8H8N2O5/c1-5-2-6(4-11)3-7(9(12)13)8(5)10(14)15/h2-3,11H,4H2,1H3
SMILES: Cc1cc(C=O)cc([N+](=O)[O-])c1[N+](=O)[O-]
SELFIES: [C][C][=C][C][Branch1][Ring1][C][=O][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O][N+1][=Branch1][C][=O][O-1]
InChI: InChI=1S/C8H6N2O5/c1-5-2-6(4-11)3-7(9(12)13)8(5)10(14)15/h2-4H,1H3
SMILES: COC(=O)/C(=C/c1cc(C)c([N+](=O)[O-])c([N+](=O)[O-])c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][/C][=Branch2][Ring1][O][=C][/C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C19H17N3O8/c1-12-8-14(10-16(21(25)26)17(12)22(27)28)9-15(18(23)29-2)20-19(24)30-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,24)/b15-9-
SMILES: COC(=O)[C@@H](Cc1cc(C)c([N+](=O)[O-])c([N+](=O)[O-])c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][O][C][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C19H19N3O8/c1-12-8-14(10-16(21(25)26)17(12)22(27)28)9-15(18(23)29-2)20-19(24)30-11-13-6-4-3-5-7-13/h3-8,10,15H,9,11H2,1-2H3,(H,20,24)/t15-/m1/s1
SMILES: COC(=O)[C@@H](Cc1cc(C)c(N)c(N)c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][C][=C][Branch1][C][N][C][Branch1][C][N][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C19H23N3O4/c1-12-8-14(9-15(20)17(12)21)10-16(18(23)25-2)22-19(24)26-11-13-6-4-3-5-7-13/h3-9,16H,10-11,20-21H2,1-2H3,(H,22,24)/t16-/m1/s1
SMILES: COC(=O)[C@@H](Cc1cc(C)c2[nH]nnc2c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][C][C][=C][C][Branch1][C][C][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C19H20N4O4/c1-12-8-14(9-15-17(12)22-23-21-15)10-16(18(24)26-2)20-19(25)27-11-13-6-4-3-5-7-13/h3-9,16H,10-11H2,1-2H3,(H,20,25)(H,21,22,23)/t16-/m1/s1
SMILES: COC(=O)[C@H](N)Cc1cc(C)c2[nH]nnc2c1
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=C][C][Branch1][C][C][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C11H14N4O2/c1-6-3-7(4-8(12)11(16)17-2)5-9-10(6)14-15-13-9/h3,5,8H,4,12H2,1-2H3,(H,13,14,15)/t8-/m1/s1
SMILES: COC(=O)[C@@H](Cc1cc(C)c2[nH]nnc2c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][C][C][=C][C][Branch1][C][C][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C25H29N7O4/c1-15-11-16(12-20-22(15)29-30-28-20)13-21(23(33)36-2)27-24(34)31-9-7-18(8-10-31)32-14-17-5-3-4-6-19(17)26-25(32)35/h3-6,11-12,18,21H,7-10,13-14H2,1-2H3,(H,26,35)(H,27,34)(H,28,29,30)/t21-/m1/s1