EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
SELFIES: [C][N][C][C][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C20H33N3O/c1-21-13-15-23(16-14-21)18-19-6-8-20(9-7-19)24-17-5-12-22-10-3-2-4-11-22/h6-9H,2-5,10-18H2,1H3
SMILES: O=C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CCN1
SELFIES: [O][=C][C][C][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][C][N][Ring2][Ring1][Branch2]
InChI: InChI=1S/C20H31N3O2/c24-20-9-14-23(15-10-21-20)17-18-5-7-19(8-6-18)25-16-4-13-22-11-2-1-3-12-22/h5-8H,1-4,9-17H2,(H,21,24)
SMILES: CCN(CC)CCCOc1ccc(CN2CCNC(=O)CC2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][=C][C][N][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][Ring1][#C]
InChI: InChI=1S/C19H31N3O2/c1-3-21(4-2)12-5-15-24-18-8-6-17(7-9-18)16-22-13-10-19(23)20-11-14-22/h6-9H,3-5,10-16H2,1-2H3,(H,20,23)
SMILES: CCN1CC(NCc2ccc(OCCCN3CCCCC3)cc2)CN1CC
SELFIES: [C][C][N][C][C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][N][Ring2][Ring1][#Branch1][C][C]
InChI: InChI=1S/C22H38N4O/c1-3-25-18-21(19-26(25)4-2)23-17-20-9-11-22(12-10-20)27-16-8-15-24-13-6-5-7-14-24/h9-12,21,23H,3-8,13-19H2,1-2H3
SMILES: CN1CCN(CCCNCc2ccc(OCCCN3CCCCC3)cc2)CC1
SELFIES: [C][N][C][C][N][Branch2][Ring1][N][C][C][C][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][C][Ring2][Ring1][O]
InChI: InChI=1S/C23H40N4O/c1-25-16-18-27(19-17-25)14-5-11-24-21-22-7-9-23(10-8-22)28-20-6-15-26-12-3-2-4-13-26/h7-10,24H,2-6,11-21H2,1H3
SMILES: CN(C)CCN(C)Cc1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][N][Branch1][C][C][C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C20H35N3O/c1-21(2)15-16-22(3)18-19-8-10-20(11-9-19)24-17-7-14-23-12-5-4-6-13-23/h8-11H,4-7,12-18H2,1-3H3
SMILES: CC(O)c1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][C][Branch1][C][O][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C16H25NO2/c1-14(18)15-6-8-16(9-7-15)19-13-5-12-17-10-3-2-4-11-17/h6-9,14,18H,2-5,10-13H2,1H3
SMILES: CC(C)(C)OC(=O)N1CCCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C25H41N3O3/c1-25(2,3)31-24(29)28-17-7-15-27(18-19-28)21-22-9-11-23(12-10-22)30-20-8-16-26-13-5-4-6-14-26/h9-12H,4-8,13-21H2,1-3H3
SMILES: CCN(CC)CCCOc1ccc(CN2CCCN(C(=O)OC(C)(C)C)CC2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C24H41N3O3/c1-6-25(7-2)15-9-19-29-22-12-10-21(11-13-22)20-26-14-8-16-27(18-17-26)23(28)30-24(3,4)5/h10-13H,6-9,14-20H2,1-5H3
SMILES: c1ccc(CN2CCCN(Cc3ccc(OCCCN4CCCCC4)cc3)CC2)cc1
SELFIES: [C][=C][C][=C][Branch2][Ring2][=Branch1][C][N][C][C][C][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C27H39N3O/c1-3-9-25(10-4-1)23-29-17-7-18-30(21-20-29)24-26-11-13-27(14-12-26)31-22-8-19-28-15-5-2-6-16-28/h1,3-4,9-14H,2,5-8,15-24H2
SMILES: CCN(CC)CCCOc1ccc(CNC(=O)[C@@H]2CCCN2C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][C][=C][Ring1][S]
InChI: InChI=1S/C20H33N3O2/c1-4-23(5-2)14-7-15-25-18-11-9-17(10-12-18)16-21-20(24)19-8-6-13-22(19)3/h9-12,19H,4-8,13-16H2,1-3H3,(H,21,24)/t19-/m0/s1
SMILES: CCN(CC)CCCOc1ccc(CNC(=O)CCN2CCCCC2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C22H37N3O2/c1-3-24(4-2)16-8-18-27-21-11-9-20(10-12-21)19-23-22(26)13-17-25-14-6-5-7-15-25/h9-12H,3-8,13-19H2,1-2H3,(H,23,26)
SMILES: CCN(CC)CCCOc1ccc(CNC(=O)CCCN(C)C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][S]
InChI: InChI=1S/C20H35N3O2/c1-5-23(6-2)15-8-16-25-19-12-10-18(11-13-19)17-21-20(24)9-7-14-22(3)4/h10-13H,5-9,14-17H2,1-4H3,(H,21,24)
SMILES: CCN(CC)CCCOc1ccc(CNC(=O)c2ccccc2N(C)C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C23H33N3O2/c1-5-26(6-2)16-9-17-28-20-14-12-19(13-15-20)18-24-23(27)21-10-7-8-11-22(21)25(3)4/h7-8,10-15H,5-6,9,16-18H2,1-4H3,(H,24,27)
SMILES: CCCN(CCC)[C@@H](C)C(=O)NCc1ccc(OCCCN(CC)CC)cc1
SELFIES: [C][C][C][N][Branch1][Ring2][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][N][O][C][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][#C]
InChI: InChI=1S/C23H41N3O2/c1-6-15-26(16-7-2)20(5)23(27)24-19-21-11-13-22(14-12-21)28-18-10-17-25(8-3)9-4/h11-14,20H,6-10,15-19H2,1-5H3,(H,24,27)/t20-/m0/s1
SMILES: CCN(CC)CCCOc1ccc(CNC(=O)CN(C)C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][=N][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][=C][Ring1][=C]
InChI: InChI=1S/C18H31N3O2/c1-5-21(6-2)12-7-13-23-17-10-8-16(9-11-17)14-19-18(22)15-20(3)4/h8-11H,5-7,12-15H2,1-4H3,(H,19,22)
SMILES: CCN(CC)CCCOc1ccc(CNC(=O)[C@@H](c2ccccc2)N(C)C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C24H35N3O2/c1-5-27(6-2)17-10-18-29-22-15-13-20(14-16-22)19-25-24(28)23(26(3)4)21-11-8-7-9-12-21/h7-9,11-16,23H,5-6,10,17-19H2,1-4H3,(H,25,28)/t23-/m1/s1
SMILES: CCN(CC)CCCOc1ccc(CNC(=O)c2cnc3ccccc3n2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C23H28N4O2/c1-3-27(4-2)14-7-15-29-19-12-10-18(11-13-19)16-25-23(28)22-17-24-20-8-5-6-9-21(20)26-22/h5-6,8-13,17H,3-4,7,14-16H2,1-2H3,(H,25,28)
SMILES: CCN(CC)CCCOc1ccc(CNC(=O)c2ccccc2SC)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C22H30N2O2S/c1-4-24(5-2)15-8-16-26-19-13-11-18(12-14-19)17-23-22(25)20-9-6-7-10-21(20)27-3/h6-7,9-14H,4-5,8,15-17H2,1-3H3,(H,23,25)
SMILES: CCN(CC)CCCOc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C23H26F6N2O2/c1-3-31(4-2)12-5-13-33-18-9-6-16(7-10-18)15-30-21(32)19-11-8-17(22(24,25)26)14-20(19)23(27,28)29/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,30,32)
SMILES: O=C(c1ccc(OCCN2CCOCC2)cc1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C22H33N3O3/c26-22(25-11-3-4-20(25)18-24-9-1-2-10-24)19-5-7-21(8-6-19)28-17-14-23-12-15-27-16-13-23/h5-8,20H,1-4,9-18H2/t20-/m0/s1
SMILES: O=C(c1ccc(OCCN2CCCCCC2)cc1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][O][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C24H37N3O2/c28-24(27-17-7-8-22(27)20-26-15-5-6-16-26)21-9-11-23(12-10-21)29-19-18-25-13-3-1-2-4-14-25/h9-12,22H,1-8,13-20H2/t22-/m0/s1
SMILES: O=C(c1ccc(OCCN2CCCC2)cc1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C22H33N3O2/c26-22(25-15-5-6-20(25)18-24-13-3-4-14-24)19-7-9-21(10-8-19)27-17-16-23-11-1-2-12-23/h7-10,20H,1-6,11-18H2/t20-/m0/s1
SMILES: CCCC(C)c1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C19H31NO/c1-3-8-17(2)18-9-11-19(12-10-18)21-16-7-15-20-13-5-4-6-14-20/h9-12,17H,3-8,13-16H2,1-2H3
SMILES: c1cc(OCCCN2CCCCC2)ccc1CN1CCC[C@H]1CN1CCCC1
SELFIES: [C][=C][C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][S][C][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C24H39N3O/c1-2-13-25(14-3-1)17-7-19-28-24-11-9-22(10-12-24)20-27-18-6-8-23(27)21-26-15-4-5-16-26/h9-12,23H,1-8,13-21H2/t23-/m0/s1
SMILES: OCc1ccc(OCCCN2CCCCC2)cc1
SELFIES: [O][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C15H23NO2/c17-13-14-5-7-15(8-6-14)18-12-4-11-16-9-2-1-3-10-16/h5-8,17H,1-4,9-13H2
SMILES: CC1CCC(C)N1CCOc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1
SELFIES: [C][C][C][C][C][Branch1][C][C][N][Ring1][=Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C24H37N3O2/c1-19-7-8-20(2)26(19)16-17-29-23-11-9-21(10-12-23)24(28)27-15-5-6-22(27)18-25-13-3-4-14-25/h9-12,19-20,22H,3-8,13-18H2,1-2H3/t19?,20?,22-/m0/s1
SMILES: CCN1CCC[C@H]1CNC(=O)c1ccc(OCCN2CCCCC2)cc1
SELFIES: [C][C][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C]
InChI: InChI=1S/C21H33N3O2/c1-2-24-14-6-7-19(24)17-22-21(25)18-8-10-20(11-9-18)26-16-15-23-12-4-3-5-13-23/h8-11,19H,2-7,12-17H2,1H3,(H,22,25)/t19-/m0/s1
SMILES: O=C(c1ccc(OCCN2CCCCC2)cc1)N1CCCC[C@@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C24H37N3O2/c28-24(27-17-5-2-8-22(27)20-26-15-6-7-16-26)21-9-11-23(12-10-21)29-19-18-25-13-3-1-4-14-25/h9-12,22H,1-8,13-20H2/t22-/m1/s1
SMILES: O=C(NCCN1CCCC1)c1ccc(OCCN2CCCCC2)cc1
SELFIES: [O][=C][Branch1][O][N][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C]
InChI: InChI=1S/C20H31N3O2/c24-20(21-10-15-22-13-4-5-14-22)18-6-8-19(9-7-18)25-17-16-23-11-2-1-3-12-23/h6-9H,1-5,10-17H2,(H,21,24)
SMILES: CN1CCC[C@@H]1CCNC(=O)c1ccc(OCCN2CCCCC2)cc1
SELFIES: [C][N][C][C][C][C@@H1][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C]
InChI: InChI=1S/C21H33N3O2/c1-23-13-5-6-19(23)11-12-22-21(25)18-7-9-20(10-8-18)26-17-16-24-14-3-2-4-15-24/h7-10,19H,2-6,11-17H2,1H3,(H,22,25)/t19-/m1/s1
SMILES: O=C(NCCN1CCCCC1)c1ccc(OCCN2CCCCC2)cc1
SELFIES: [O][=C][Branch1][N][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C]
InChI: InChI=1S/C21H33N3O2/c25-21(22-11-16-23-12-3-1-4-13-23)19-7-9-20(10-8-19)26-18-17-24-14-5-2-6-15-24/h7-10H,1-6,11-18H2,(H,22,25)
SMILES: O=C(c1ccc(OCCN2CCCCC2)cc1)N1CCC(N2CCCC2)CC1
SELFIES: [O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][O]
InChI: InChI=1S/C23H35N3O2/c27-23(26-16-10-21(11-17-26)25-14-4-5-15-25)20-6-8-22(9-7-20)28-19-18-24-12-2-1-3-13-24/h6-9,21H,1-5,10-19H2
SMILES: O=C(c1ccc(OCCN2CCCCC2)cc1)N1CCN2CCCC2C1
SELFIES: [O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][C][C][N][C][C][C][C][Ring1][Branch1][C][Ring1][=Branch2]
InChI: InChI=1S/C21H31N3O2/c25-21(24-14-13-23-12-4-5-19(23)17-24)18-6-8-20(9-7-18)26-16-15-22-10-2-1-3-11-22/h6-9,19H,1-5,10-17H2
SMILES: CC(NCCN(C)C)c1ccc(OC[C@H]2CCCN2C)cc1
SELFIES: [C][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][O][O][C][C@H1][C][C][C][N][Ring1][Branch1][C][C][=C][Ring1][=C]
InChI: InChI=1S/C18H31N3O/c1-15(19-11-13-20(2)3)16-7-9-18(10-8-16)22-14-17-6-5-12-21(17)4/h7-10,15,17,19H,5-6,11-14H2,1-4H3/t15?,17-/m1/s1
SMILES: CC(NCCN(C)C)c1ccc(OC2CCN(C)C2)cc1
SELFIES: [C][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][N][O][C][C][C][N][Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N]
InChI: InChI=1S/C17H29N3O/c1-14(18-10-12-19(2)3)15-5-7-16(8-6-15)21-17-9-11-20(4)13-17/h5-8,14,17-18H,9-13H2,1-4H3
SMILES: CCN(CC)CCCOc1ccc(C(C)N(CCN(C)C)CC2CC2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C23H41N3O/c1-6-25(7-2)15-8-18-27-23-13-11-22(12-14-23)20(3)26(17-16-24(4)5)19-21-9-10-21/h11-14,20-21H,6-10,15-19H2,1-5H3
SMILES: CC(NCCN(C)C)c1ccc(OCC2CCCN(C)C2)cc1
SELFIES: [C][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][=C][O][C][C][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C]
InChI: InChI=1S/C19H33N3O/c1-16(20-11-13-21(2)3)18-7-9-19(10-8-18)23-15-17-6-5-12-22(4)14-17/h7-10,16-17,20H,5-6,11-15H2,1-4H3
SMILES: C[C@@H](NCCN(C)C)c1ccc(OCC2CCNCC2)cc1
SELFIES: [C][C@@H1][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][O][O][C][C][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][=C]
InChI: InChI=1S/C18H31N3O/c1-15(20-12-13-21(2)3)17-4-6-18(7-5-17)22-14-16-8-10-19-11-9-16/h4-7,15-16,19-20H,8-14H2,1-3H3/t15-/m1/s1
SMILES: C[C@@H](NCCN(C)C)c1ccc(OCC2CCN(C)CC2)cc1
SELFIES: [C][C@@H1][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][=C][O][C][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C]
InChI: InChI=1S/C19H33N3O/c1-16(20-11-14-21(2)3)18-5-7-19(8-6-18)23-15-17-9-12-22(4)13-10-17/h5-8,16-17,20H,9-15H2,1-4H3/t16-/m1/s1
SMILES: CN(C)CCN[C@H]1CCCc2ccc(OCCCN3CCCCC3)cc21
SELFIES: [C][N][Branch1][C][C][C][C][N][C@H1][C][C][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][Ring2][Ring1][Ring2]
InChI: InChI=1S/C22H37N3O/c1-24(2)16-12-23-22-9-6-8-19-10-11-20(18-21(19)22)26-17-7-15-25-13-4-3-5-14-25/h10-11,18,22-23H,3-9,12-17H2,1-2H3/t22-/m0/s1
SMILES: CC(NCCN(C)C)c1ccc(OC[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1
SELFIES: [C][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][O][O][C][C@H1][C][C][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C24H41N3O3/c1-18(25-14-15-27(5)6)20-10-12-22(13-11-20)29-17-19-8-7-9-21(16-19)26-23(28)30-24(2,3)4/h10-13,18-19,21,25H,7-9,14-17H2,1-6H3,(H,26,28)/t18?,19-,21+/m0/s1
SMILES: CCN(CC)CCCOc1ccc([C@H](C)NC(=O)CN(C)C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][S][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][=C][Ring1][#C]
InChI: InChI=1S/C19H33N3O2/c1-6-22(7-2)13-8-14-24-18-11-9-17(10-12-18)16(3)20-19(23)15-21(4)5/h9-12,16H,6-8,13-15H2,1-5H3,(H,20,23)/t16-/m0/s1
SMILES: CC(NCCN(C)C)c1ccc(OC[C@H]2CCC[C@@H](C)C2)cc1
SELFIES: [C][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][=C][O][C][C@H1][C][C][C][C@@H1][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C]
InChI: InChI=1S/C20H34N2O/c1-16-6-5-7-18(14-16)15-23-20-10-8-19(9-11-20)17(2)21-12-13-22(3)4/h8-11,16-18,21H,5-7,12-15H2,1-4H3/t16-,17?,18+/m1/s1
SMILES: CN[C@@H]1CCC[C@H](COc2ccc(C(C)NCCN(C)C)cc2)C1
SELFIES: [C][N][C@@H1][C][C][C][C@H1][Branch2][Ring1][=Branch2][C][O][C][=C][C][=C][Branch1][=N][C][Branch1][C][C][N][C][C][N][Branch1][C][C][C][C][=C][Ring1][=C][C][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C20H35N3O/c1-16(22-12-13-23(3)4)18-8-10-20(11-9-18)24-15-17-6-5-7-19(14-17)21-2/h8-11,16-17,19,21-22H,5-7,12-15H2,1-4H3/t16?,17-,19+/m0/s1
SMILES: CCN(CC)CCCOc1ccc([C@H](C)NCCN(C)C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][=N][C@H1][Branch1][C][C][N][C][C][N][Branch1][C][C][C][C][=C][Ring1][=C]
InChI: InChI=1S/C19H35N3O/c1-6-22(7-2)14-8-16-23-19-11-9-18(10-12-19)17(3)20-13-15-21(4)5/h9-12,17,20H,6-8,13-16H2,1-5H3/t17-/m0/s1
SMILES: c1ccc(OCCCN2CCCCC2)c(CNCCCN2CCCC2)c1
SELFIES: [C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=N][C][N][C][C][C][N][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C22H37N3O/c1-4-13-25(14-5-1)18-9-19-26-22-11-3-2-10-21(22)20-23-12-8-17-24-15-6-7-16-24/h2-3,10-11,23H,1,4-9,12-20H2
SMILES: CCN1CCCC(Oc2ccc(C(C)NCCN(C)C)cc2)C1
SELFIES: [C][C][N][C][C][C][C][Branch2][Ring1][Branch2][O][C][=C][C][=C][Branch1][=N][C][Branch1][C][C][N][C][C][N][Branch1][C][C][C][C][=C][Ring1][=C][C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C19H33N3O/c1-5-22-13-6-7-19(15-22)23-18-10-8-17(9-11-18)16(2)20-12-14-21(3)4/h8-11,16,19-20H,5-7,12-15H2,1-4H3
SMILES: O=C(c1ccc(OCCCN2CCCC2)cc1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][O][C][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][#C][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C23H35N3O2/c27-23(26-17-5-7-21(26)19-25-14-3-4-15-25)20-8-10-22(11-9-20)28-18-6-16-24-12-1-2-13-24/h8-11,21H,1-7,12-19H2/t21-/m0/s1
SMILES: CCN(CC)CCCOc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C23H37N3O2/c1-3-24(4-2)16-8-18-28-22-12-10-20(11-13-22)23(27)26-17-7-9-21(26)19-25-14-5-6-15-25/h10-13,21H,3-9,14-19H2,1-2H3/t21-/m0/s1
SMILES: O=C(c1ccc(OCCCNCc2ccccc2)cc1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][#C][O][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C26H35N3O2/c30-26(29-18-6-10-24(29)21-28-16-4-5-17-28)23-11-13-25(14-12-23)31-19-7-15-27-20-22-8-2-1-3-9-22/h1-3,8-9,11-14,24,27H,4-7,10,15-21H2/t24-/m0/s1
SMILES: O=C(c1ccc(OCCCNC2CCCC2)cc1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][S][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C24H37N3O2/c28-24(27-17-5-9-22(27)19-26-15-3-4-16-26)20-10-12-23(13-11-20)29-18-6-14-25-21-7-1-2-8-21/h10-13,21-22,25H,1-9,14-19H2/t22-/m0/s1
SMILES: CCNCCCOc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1
SELFIES: [C][C][N][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C21H33N3O2/c1-2-22-12-6-16-26-20-10-8-18(9-11-20)21(25)24-15-5-7-19(24)17-23-13-3-4-14-23/h8-11,19,22H,2-7,12-17H2,1H3/t19-/m0/s1
SMILES: O=C(c1ccc(OCCCN2CCSCC2)cc1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][S][C][C][Ring1][=Branch1][C][=C][Ring1][S][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C23H35N3O2S/c27-23(26-13-3-5-21(26)19-25-10-1-2-11-25)20-6-8-22(9-7-20)28-16-4-12-24-14-17-29-18-15-24/h6-9,21H,1-5,10-19H2/t21-/m0/s1
SMILES: CCCN(CCC)[C@H](C)C(=O)NCc1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][C][C][N][Branch1][Ring2][C][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C24H41N3O2/c1-4-14-27(15-5-2)21(3)24(28)25-20-22-10-12-23(13-11-22)29-19-9-18-26-16-7-6-8-17-26/h10-13,21H,4-9,14-20H2,1-3H3,(H,25,28)/t21-/m1/s1
SMILES: CN(C)c1ccccc1C(=O)NCc1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C24H33N3O2/c1-26(2)23-10-5-4-9-22(23)24(28)25-19-20-11-13-21(14-12-20)29-18-8-17-27-15-6-3-7-16-27/h4-5,9-14H,3,6-8,15-19H2,1-2H3,(H,25,28)
SMILES: CN(C)CC(=O)NCc1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C19H31N3O2/c1-21(2)16-19(23)20-15-17-7-9-18(10-8-17)24-14-6-13-22-11-4-3-5-12-22/h7-10H,3-6,11-16H2,1-2H3,(H,20,23)
SMILES: CN(C)CCCC(=O)NCc1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][N][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C21H35N3O2/c1-23(2)13-6-8-21(25)22-18-19-9-11-20(12-10-19)26-17-7-16-24-14-4-3-5-15-24/h9-12H,3-8,13-18H2,1-2H3,(H,22,25)
SMILES: CN1CCC[C@@H]1C(=O)NCc1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C21H33N3O2/c1-23-12-5-7-20(23)21(25)22-17-18-8-10-19(11-9-18)26-16-6-15-24-13-3-2-4-14-24/h8-11,20H,2-7,12-17H2,1H3,(H,22,25)/t20-/m1/s1
SMILES: CN(C)C(C(=O)NCc1ccc(OCCCN2CCCCC2)cc1)c1ccccc1
SELFIES: [C][N][Branch1][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C25H35N3O2/c1-27(2)24(22-10-5-3-6-11-22)25(29)26-20-21-12-14-23(15-13-21)30-19-9-18-28-16-7-4-8-17-28/h3,5-6,10-15,24H,4,7-9,16-20H2,1-2H3,(H,26,29)
SMILES: O=C(NCc1ccc(OCCCN2CCCCC2)cc1)c1cnc2ccccc2n1
SELFIES: [O][=C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2]
InChI: InChI=1S/C24H28N4O2/c29-24(23-18-25-21-7-2-3-8-22(21)27-23)26-17-19-9-11-20(12-10-19)30-16-6-15-28-13-4-1-5-14-28/h2-3,7-12,18H,1,4-6,13-17H2,(H,26,29)
SMILES: O=C(NCc1ccc(OCCCN2CCCCC2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
SELFIES: [O][=C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C]
InChI: InChI=1S/C24H26F6N2O2/c25-23(26,27)19-13-18(14-20(15-19)24(28,29)30)22(33)31-16-17-5-7-21(8-6-17)34-12-4-11-32-9-2-1-3-10-32/h5-8,13-15H,1-4,9-12,16H2,(H,31,33)
SMILES: CCSc1ccccc1C(=O)NCc1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C24H32N2O2S/c1-2-29-23-10-5-4-9-22(23)24(27)25-19-20-11-13-21(14-12-20)28-18-8-17-26-15-6-3-7-16-26/h4-5,9-14H,2-3,6-8,15-19H2,1H3,(H,25,27)
SMILES: O=C([C@@H]1CCCN1C(=O)c1ccc(OCCCN2CCCCC2)cc1)N1CCCC1
SELFIES: [O][=C][Branch2][Ring2][C][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C24H35N3O3/c28-23(27-18-6-8-22(27)24(29)26-16-4-5-17-26)20-9-11-21(12-10-20)30-19-7-15-25-13-2-1-3-14-25/h9-12,22H,1-8,13-19H2/t22-/m0/s1