EdisonScientific/glyph-datasets huggingface dataset:
SMILES: O=C1Cc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc2N1
SELFIES: [O][=C][C][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=C][N][Ring2][Ring1][P]
InChI: InChI=1S/C29H29N3O2/c33-28-19-24-12-13-26(20-27(24)30-28)32(29(34)14-11-22-7-3-1-4-8-22)25-15-17-31(18-16-25)21-23-9-5-2-6-10-23/h1-14,20,25H,15-19,21H2,(H,30,33)/b14-11+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)CCc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C31H35N3O2/c1-24(35)33-21-16-27-13-14-29(22-30(27)33)34(31(36)15-12-25-8-4-2-5-9-25)28-17-19-32(20-18-28)23-26-10-6-3-7-11-26/h2-11,13-14,22,28H,12,15-21,23H2,1H3
SMILES: CC(=O)N1CCc2ccc(N(C(=O)C3CC3c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][#C][Ring2][Ring2][C]
InChI: InChI=1S/C32H35N3O2/c1-23(36)34-19-14-26-12-13-28(20-31(26)34)35(32(37)30-21-29(30)25-10-6-3-7-11-25)27-15-17-33(18-16-27)22-24-8-4-2-5-9-24/h2-13,20,27,29-30H,14-19,21-22H2,1H3
SMILES: CC(=O)N1CCc2ccc(N(C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][C][N][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=N][Ring2][Ring1][S]
InChI: InChI=1S/C31H35N3O/c1-25(35)33-22-16-28-14-15-30(23-31(28)33)34(19-8-13-26-9-4-2-5-10-26)29-17-20-32(21-18-29)24-27-11-6-3-7-12-27/h2-15,23,29H,16-22,24H2,1H3/b13-8+
SMILES: CC(=O)N1CCc2ccc(N(C3CCN(Cc4ccccc4)CC3)S(=O)(=O)/C=C/c3ccccc3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][Branch2][Ring1][Ring2][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#C][Ring2][Ring2][C]
InChI: InChI=1S/C30H33N3O3S/c1-24(34)32-20-14-27-12-13-29(22-30(27)32)33(37(35,36)21-17-25-8-4-2-5-9-25)28-15-18-31(19-16-28)23-26-10-6-3-7-11-26/h2-13,17,21-22,28H,14-16,18-20,23H2,1H3/b21-17+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)C#Cc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][#C][C][=Branch1][C][=O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C31H31N3O2/c1-24(35)33-21-16-27-13-14-29(22-30(27)33)34(31(36)15-12-25-8-4-2-5-9-25)28-17-19-32(20-18-28)23-26-10-6-3-7-11-26/h2-11,13-14,22,28H,16-21,23H2,1H3
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C\c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C31H33N3O2/c1-24(35)33-21-16-27-13-14-29(22-30(27)33)34(31(36)15-12-25-8-4-2-5-9-25)28-17-19-32(20-18-28)23-26-10-6-3-7-11-26/h2-15,22,28H,16-21,23H2,1H3/b15-12-
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][Branch1][P][C][=Branch1][C][=O][/C][=C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][S][Ring2][Ring2][Ring1]
InChI: InChI=1S/C33H35N3O2/c1-26(37)35-23-18-29-16-17-31(24-32(29)35)36(33(38)15-9-8-12-27-10-4-2-5-11-27)30-19-21-34(22-20-30)25-28-13-6-3-7-14-28/h2-17,24,30H,18-23,25H2,1H3/b12-8+,15-9+
SMILES: C=CC(=O)N(c1ccc2c(c1)N(C(C)=O)CC2)C1CCN(Cc2ccccc2)CC1
SELFIES: [C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C25H29N3O2/c1-3-25(30)28(23-10-9-21-11-16-27(19(2)29)24(21)17-23)22-12-14-26(15-13-22)18-20-7-5-4-6-8-20/h3-10,17,22H,1,11-16,18H2,2H3
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccsc3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][Ring2][N][Branch1][=C][C][=Branch1][C][=O][/C][=C][/C][C][=C][S][C][=Ring1][Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=N][Ring2][Ring1][S]
InChI: InChI=1S/C29H31N3O2S/c1-22(33)31-17-11-25-8-9-27(19-28(25)31)32(29(34)10-7-24-14-18-35-21-24)26-12-15-30(16-13-26)20-23-5-3-2-4-6-23/h2-10,14,18-19,21,26H,11-13,15-17,20H2,1H3/b10-7+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccn3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C30H32N4O2/c1-23(35)33-20-14-25-10-12-28(21-29(25)33)34(30(36)13-11-26-9-5-6-17-31-26)27-15-18-32(19-16-27)22-24-7-3-2-4-8-24/h2-13,17,21,27H,14-16,18-20,22H2,1H3/b13-11+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccnc3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C30H32N4O2/c1-23(35)33-19-13-26-10-11-28(20-29(26)33)34(30(36)12-9-24-8-5-16-31-21-24)27-14-17-32(18-15-27)22-25-6-3-2-4-7-25/h2-12,16,20-21,27H,13-15,17-19,22H2,1H3/b12-9+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccncc3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C30H32N4O2/c1-23(35)33-20-13-26-8-9-28(21-29(26)33)34(30(36)10-7-24-11-16-31-17-12-24)27-14-18-32(19-15-27)22-25-5-3-2-4-6-25/h2-12,16-17,21,27H,13-15,18-20,22H2,1H3/b10-7+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ncc[nH]3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][Ring2][N][Branch1][=C][C][=Branch1][C][=O][/C][=C][/C][=N][C][=C][NH1][Ring1][Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=N][Ring2][Ring1][S]
InChI: InChI=1S/C28H31N5O2/c1-21(34)32-18-11-23-7-8-25(19-26(23)32)33(28(35)10-9-27-29-14-15-30-27)24-12-16-31(17-13-24)20-22-5-3-2-4-6-22/h2-10,14-15,19,24H,11-13,16-18,20H2,1H3,(H,29,30)/b10-9+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][S][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring2][C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C32H32F3N3O2/c1-23(39)37-20-15-26-10-13-29(21-30(26)37)38(28-16-18-36(19-17-28)22-25-5-3-2-4-6-25)31(40)14-9-24-7-11-27(12-8-24)32(33,34)35/h2-14,21,28H,15-20,22H2,1H3/b14-9+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][S][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring2][C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C32H32F3N3O2/c1-23(39)37-19-14-26-11-12-29(21-30(26)37)38(28-15-17-36(18-16-28)22-25-6-3-2-4-7-25)31(40)13-10-24-8-5-9-27(20-24)32(33,34)35/h2-13,20-21,28H,14-19,22H2,1H3/b13-10+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3C(F)(F)F)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][=C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring2][C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C32H32F3N3O2/c1-23(39)37-20-15-26-11-13-28(21-30(26)37)38(27-16-18-36(19-17-27)22-24-7-3-2-4-8-24)31(40)14-12-25-9-5-6-10-29(25)32(33,34)35/h2-14,21,27H,15-20,22H2,1H3/b14-12+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Br)c3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][#C][Ring2][Ring2][C]
InChI: InChI=1S/C31H32BrN3O2/c1-23(36)34-19-14-26-11-12-29(21-30(26)34)35(31(37)13-10-24-8-5-9-27(32)20-24)28-15-17-33(18-16-28)22-25-6-3-2-4-7-25/h2-13,20-21,28H,14-19,22H2,1H3/b13-10+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][#C][Ring2][Ring2][C]
InChI: InChI=1S/C31H32FN3O2/c1-23(36)34-19-14-26-11-12-29(21-30(26)34)35(31(37)13-10-24-8-5-9-27(32)20-24)28-15-17-33(18-16-28)22-25-6-3-2-4-7-25/h2-13,20-21,28H,14-19,22H2,1H3/b13-10+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][#C][Ring2][Ring2][C]
InChI: InChI=1S/C31H32ClN3O2/c1-23(36)34-19-14-26-11-12-29(21-30(26)34)35(31(37)13-10-24-8-5-9-27(32)20-24)28-15-17-33(18-16-28)22-25-6-3-2-4-7-25/h2-13,20-21,28H,14-19,22H2,1H3/b13-10+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][#C][Ring2][Ring2][C]
InChI: InChI=1S/C32H35N3O2/c1-24-7-6-10-26(21-24)11-14-32(37)35(30-13-12-28-15-20-34(25(2)36)31(28)22-30)29-16-18-33(19-17-29)23-27-8-4-3-5-9-27/h3-14,21-22,29H,15-20,23H2,1-2H3/b14-11+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][=N][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][P][Ring2][Ring2][Ring2]
InChI: InChI=1S/C31H32N4O4/c1-23(36)33-19-14-26-11-12-28(21-30(26)33)34(31(37)13-10-24-8-5-9-29(20-24)35(38)39)27-15-17-32(18-16-27)22-25-6-3-2-4-7-25/h2-13,20-21,27H,14-19,22H2,1H3/b13-10+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][#Branch2][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][S][Ring2][Ring2][Ring1]
InChI: InChI=1S/C32H32N4O2/c1-24(37)35-19-14-28-11-12-30(21-31(28)35)36(32(38)13-10-25-8-5-9-27(20-25)22-33)29-15-17-34(18-16-29)23-26-6-3-2-4-7-26/h2-13,20-21,29H,14-19,23H2,1H3/b13-10+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(S(=O)C(F)(F)F)c3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Branch1][Ring2][N][Branch2][Ring1][=N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][=N][S][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring2][Ring2][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C32H32F3N3O3S/c1-23(39)37-19-14-26-11-12-28(21-30(26)37)38(27-15-17-36(18-16-27)22-25-6-3-2-4-7-25)31(40)13-10-24-8-5-9-29(20-24)42(41)32(33,34)35/h2-13,20-21,27H,14-19,22H2,1H3/b13-10+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(F)cc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][N][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][S][Ring2][Ring2][Ring1]
InChI: InChI=1S/C31H31F2N3O2/c1-22(37)35-16-11-25-8-9-29(20-30(25)35)36(31(38)10-7-24-17-26(32)19-27(33)18-24)28-12-14-34(15-13-28)21-23-5-3-2-4-6-23/h2-10,17-20,28H,11-16,21H2,1H3/b10-7+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(C)cc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][N][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][S][Ring2][Ring2][Ring1]
InChI: InChI=1S/C33H37N3O2/c1-24-19-25(2)21-28(20-24)9-12-33(38)36(31-11-10-29-13-18-35(26(3)37)32(29)22-31)30-14-16-34(17-15-30)23-27-7-5-4-6-8-27/h4-12,19-22,30H,13-18,23H2,1-3H3/b12-9+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(Cl)cc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][N][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][S][Ring2][Ring2][Ring1]
InChI: InChI=1S/C31H31Cl2N3O2/c1-22(37)35-16-11-25-8-9-29(20-30(25)35)36(31(38)10-7-24-17-26(32)19-27(33)18-24)28-12-14-34(15-13-28)21-23-5-3-2-4-6-23/h2-10,17-20,28H,11-16,21H2,1H3/b10-7+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(C(=O)c4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][#C][Ring2][Ring2][C]
InChI: InChI=1S/C31H31N3O3/c1-23(35)33-21-16-25-13-14-28(22-29(25)33)34(30(36)15-12-24-8-4-2-5-9-24)27-17-19-32(20-18-27)31(37)26-10-6-3-7-11-26/h2-15,22,27H,16-21H2,1H3/b15-12+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCCc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][S][Ring2][Ring2][Ring1]
InChI: InChI=1S/C33H37N3O2/c1-26(37)35-24-18-29-15-16-31(25-32(29)35)36(33(38)17-14-28-11-6-3-7-12-28)30-19-22-34(23-20-30)21-8-13-27-9-4-2-5-10-27/h2-7,9-12,14-17,25,30H,8,13,18-24H2,1H3/b17-14+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCC4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C31H39N3O2/c1-24(35)33-22-16-27-12-13-29(23-30(27)33)34(31(36)14-11-25-7-3-2-4-8-25)28-17-20-32(21-18-28)19-15-26-9-5-6-10-26/h2-4,7-8,11-14,23,26,28H,5-6,9-10,15-22H2,1H3/b14-11+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCCN(Cc4ccccc4)C3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C31H33N3O2/c1-24(35)33-20-18-27-15-16-28(21-30(27)33)34(31(36)17-14-25-9-4-2-5-10-25)29-13-8-19-32(23-29)22-26-11-6-3-7-12-26/h2-7,9-12,14-17,21,29H,8,13,18-20,22-23H2,1H3/b17-14+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)C3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][Ring2][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][=N][Ring2][Ring1][S]
InChI: InChI=1S/C30H31N3O2/c1-23(34)32-19-16-26-13-14-27(20-29(26)32)33(30(35)15-12-24-8-4-2-5-9-24)28-17-18-31(22-28)21-25-10-6-3-7-11-25/h2-15,20,28H,16-19,21-22H2,1H3/b15-12+
SMILES: CC(=O)N1CCc2ccc(N(CCCNCc3ccccc3)C(=O)/C=C/c3ccccc3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][#C][N][Branch1][=C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][N][Ring2][Ring1][#C]
InChI: InChI=1S/C29H31N3O2/c1-23(33)31-20-17-26-14-15-27(21-28(26)31)32(29(34)16-13-24-9-4-2-5-10-24)19-8-18-30-22-25-11-6-3-7-12-25/h2-7,9-16,21,30H,8,17-20,22H2,1H3/b16-13+
SMILES: C=CCN(CCCN(C(=O)/C=C/c1ccccc1)c1ccc2c(c1)N(C(C)=O)CC2)Cc1ccccc1
SELFIES: [C][=C][C][N][Branch2][Ring2][O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C32H35N3O2/c1-3-20-33(25-28-13-8-5-9-14-28)21-10-22-35(32(37)18-15-27-11-6-4-7-12-27)30-17-16-29-19-23-34(26(2)36)31(29)24-30/h3-9,11-18,24H,1,10,19-23,25H2,2H3/b18-15+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(CCC4CCCCC4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][#Branch2][N][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][S][Ring2][Ring2][Ring1]
InChI: InChI=1S/C32H40ClN3O2/c1-24(37)35-22-16-27-10-13-30(23-31(27)35)36(32(38)14-9-26-7-11-28(33)12-8-26)29-17-20-34(21-18-29)19-15-25-5-3-2-4-6-25/h7-14,23,25,29H,2-6,15-22H2,1H3/b14-9+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(CCC4CCCCC4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][=C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][C][C][N][Branch1][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring2][C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C32H40N4O4/c1-24(37)34-21-15-27-11-12-29(23-31(27)34)35(32(38)13-10-26-8-5-9-30(22-26)36(39)40)28-16-19-33(20-17-28)18-14-25-6-3-2-4-7-25/h5,8-13,22-23,25,28H,2-4,6-7,14-21H2,1H3/b13-10+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(CCC4CCCC4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][#C][Ring2][Ring2][C]
InChI: InChI=1S/C31H38ClN3O2/c1-23(36)34-21-15-26-9-12-29(22-30(26)34)35(31(37)13-8-25-6-10-27(32)11-7-25)28-16-19-33(20-17-28)18-14-24-4-2-3-5-24/h6-13,22,24,28H,2-5,14-21H2,1H3/b13-8+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(CCC4CCCC4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][=N][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][P][Ring2][Ring2][Ring2]
InChI: InChI=1S/C31H38N4O4/c1-23(36)33-20-14-26-10-11-28(22-30(26)33)34(31(37)12-9-25-7-4-8-29(21-25)35(38)39)27-15-18-32(19-16-27)17-13-24-5-2-3-6-24/h4,7-12,21-22,24,27H,2-3,5-6,13-20H2,1H3/b12-9+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(CCC4CCCC4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][#Branch2][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][S][Ring2][Ring2][Ring1]
InChI: InChI=1S/C32H38N4O2/c1-24(37)35-20-14-28-10-11-30(22-31(28)35)36(32(38)12-9-26-7-4-8-27(21-26)23-33)29-15-18-34(19-16-29)17-13-25-5-2-3-6-25/h4,7-12,21-22,25,29H,2-3,5-6,13-20H2,1H3/b12-9+
SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][#C][Ring2][Ring2][C]
InChI: InChI=1S/C31H32ClN3O2/c1-23(36)34-20-15-26-10-13-29(21-30(26)34)35(31(37)14-9-24-7-11-27(32)12-8-24)28-16-18-33(19-17-28)22-25-5-3-2-4-6-25/h2-14,21,28H,15-20,22H2,1H3/b14-9+
SMILES: COC(=O)C(c1ccccc1)N1CCC(N(C(=O)/C=C/c2ccccc2)c2ccc3c(c2)N(C(C)=O)CC3)CC1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch2][Ring2][Branch2][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][C][Ring2][Ring1][=N]
InChI: InChI=1S/C33H35N3O4/c1-24(37)35-22-17-26-14-15-29(23-30(26)35)36(31(38)16-13-25-9-5-3-6-10-25)28-18-20-34(21-19-28)32(33(39)40-2)27-11-7-4-8-12-27/h3-16,23,28,32H,17-22H2,1-2H3/b16-13+
SMILES: CCNC(=O)C(c1ccccc1)N1CCC(N(C(=O)/C=C/c2ccccc2)c2ccc3c(c2)N(C(C)=O)CC3)CC1
SELFIES: [C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch2][Ring2][Branch2][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][C][Ring2][Ring1][=N]
InChI: InChI=1S/C34H38N4O3/c1-3-35-34(41)33(28-12-8-5-9-13-28)36-21-19-29(20-22-36)38(32(40)17-14-26-10-6-4-7-11-26)30-16-15-27-18-23-37(25(2)39)31(27)24-30/h4-17,24,29,33H,3,18-23H2,1-2H3,(H,35,41)/b17-14+
SMILES: CCOCC(O)COCC
SELFIES: [C][C][O][C][C][Branch1][C][O][C][O][C][C]
InChI: InChI=1S/C7H16O3/c1-3-9-5-7(8)6-10-4-2/h7-8H,3-6H2,1-2H3