EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN1CCN(CCCCOc2ccc(C(=O)N3CCC[C@H]3CN3CCCC3)cc2)CC1
SELFIES: [C][N][C][C][N][Branch2][Ring2][Branch1][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][C][C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H40N4O2/c1-26-16-18-27(19-17-26)12-4-5-20-31-24-10-8-22(9-11-24)25(30)29-15-6-7-23(29)21-28-13-2-3-14-28/h8-11,23H,2-7,12-21H2,1H3/t23-/m0/s1
SMILES: O=C(c1ccc(OCCCCN2CCCCC2)cc1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][O][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C25H39N3O2/c29-25(28-19-8-9-23(28)21-27-17-4-5-18-27)22-10-12-24(13-11-22)30-20-7-6-16-26-14-2-1-3-15-26/h10-13,23H,1-9,14-21H2/t23-/m0/s1
SMILES: CCN(CC)CCCCOc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][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/C24H39N3O2/c1-3-25(4-2)15-7-8-19-29-23-13-11-21(12-14-23)24(28)27-18-9-10-22(27)20-26-16-5-6-17-26/h11-14,22H,3-10,15-20H2,1-2H3/t22-/m0/s1
SMILES: O=C(c1ccc(OCCCCN2CCCC2)cc1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][O][C][C][C][C][N][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(27-18-7-8-22(27)20-26-16-3-4-17-26)21-9-11-23(12-10-21)29-19-6-5-15-25-13-1-2-14-25/h9-12,22H,1-8,13-20H2/t22-/m0/s1
SMILES: O=C(c1ccc(OCCCCNC2CCCC2)cc1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][O][C][C][C][C][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][P][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C25H39N3O2/c29-25(28-18-7-10-23(28)20-27-16-4-5-17-27)21-11-13-24(14-12-21)30-19-6-3-15-26-22-8-1-2-9-22/h11-14,22-23,26H,1-10,15-20H2/t23-/m0/s1
SMILES: CCNCCCCOc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1
SELFIES: [C][C][N][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/C22H35N3O2/c1-2-23-13-3-6-17-27-21-11-9-19(10-12-21)22(26)25-16-7-8-20(25)18-24-14-4-5-15-24/h9-12,20,23H,2-8,13-18H2,1H3/t20-/m0/s1
SMILES: O=C(c1cccc(OCCN2CCCC2)c1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][=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(25-14-6-8-20(25)18-24-12-3-4-13-24)19-7-5-9-21(17-19)27-16-15-23-10-1-2-11-23/h5,7,9,17,20H,1-4,6,8,10-16,18H2/t20-/m0/s1
SMILES: O=C(c1ccccc1OCCCN1CCCCC1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C24H37N3O2/c28-24(27-18-8-10-21(27)20-26-15-6-7-16-26)22-11-2-3-12-23(22)29-19-9-17-25-13-4-1-5-14-25/h2-3,11-12,21H,1,4-10,13-20H2/t21-/m0/s1
SMILES: CC(C)(C)OC(=O)NCCOc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][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/C23H35N3O4/c1-23(2,3)30-22(28)24-12-16-29-20-10-8-18(9-11-20)21(27)26-15-6-7-19(26)17-25-13-4-5-14-25/h8-11,19H,4-7,12-17H2,1-3H3,(H,24,28)/t19-/m0/s1
SMILES: O=C(CCCO)NCc1ccc(OCCCN2CCCCC2)cc1
SELFIES: [O][=C][Branch1][Branch1][C][C][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/C19H30N2O3/c22-14-4-6-19(23)20-16-17-7-9-18(10-8-17)24-15-5-13-21-11-2-1-3-12-21/h7-10,22H,1-6,11-16H2,(H,20,23)
SMILES: O=C(c1cccc(OCCCN2CCCCC2)c1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=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(27-17-7-10-22(27)20-26-14-4-5-15-26)21-9-6-11-23(19-21)29-18-8-16-25-12-2-1-3-13-25/h6,9,11,19,22H,1-5,7-8,10,12-18,20H2/t22-/m0/s1
SMILES: CN1CCN(CCCOc2cccc(C(=O)N3CCC[C@H]3CN3CCCC3)c2)CC1
SELFIES: [C][N][C][C][N][Branch2][Ring2][Ring2][C][C][C][O][C][=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][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=N]
InChI: InChI=1S/C24H38N4O2/c1-25-14-16-26(17-15-25)12-6-18-30-23-9-4-7-21(19-23)24(29)28-13-5-8-22(28)20-27-10-2-3-11-27/h4,7,9,19,22H,2-3,5-6,8,10-18,20H2,1H3/t22-/m0/s1
SMILES: O=C(c1cccc(OCCCN2CCCC2)c1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][N][O][C][C][C][N][C][C][C][C][Ring1][Branch1][=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(26-16-6-9-21(26)19-25-13-3-4-14-25)20-8-5-10-22(18-20)28-17-7-15-24-11-1-2-12-24/h5,8,10,18,21H,1-4,6-7,9,11-17,19H2/t21-/m0/s1
SMILES: O=C(c1cccc(OCCCNCc2ccccc2)c1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][#C][O][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=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(29-17-7-12-24(29)21-28-15-4-5-16-28)23-11-6-13-25(19-23)31-18-8-14-27-20-22-9-2-1-3-10-22/h1-3,6,9-11,13,19,24,27H,4-5,7-8,12,14-18,20-21H2/t24-/m0/s1
SMILES: CCNCCCOc1cccc(C(=O)N2CCC[C@H]2CN2CCCC2)c1
SELFIES: [C][C][N][C][C][C][O][C][=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][Ring2][Ring1][Ring1]
InChI: InChI=1S/C21H33N3O2/c1-2-22-11-7-15-26-20-10-5-8-18(16-20)21(25)24-14-6-9-19(24)17-23-12-3-4-13-23/h5,8,10,16,19,22H,2-4,6-7,9,11-15,17H2,1H3/t19-/m0/s1
SMILES: O=S(=O)(NCc1ccc(OCCCN2CCCCC2)cc1)c1ccccc1
SELFIES: [O][=S][=Branch1][C][=O][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][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C21H28N2O3S/c24-27(25,21-8-3-1-4-9-21)22-18-19-10-12-20(13-11-19)26-17-7-16-23-14-5-2-6-15-23/h1,3-4,8-13,22H,2,5-7,14-18H2
SMILES: O=C([C@@H]1CCCN1Cc1ccc(OCCCN2CCCCC2)cc1)N1CCCC1
SELFIES: [O][=C][Branch2][Ring1][#C][C@@H1][C][C][C][N][Ring1][Branch1][C][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/C24H37N3O2/c28-24(26-16-4-5-17-26)23-8-6-18-27(23)20-21-9-11-22(12-10-21)29-19-7-15-25-13-2-1-3-14-25/h9-12,23H,1-8,13-20H2/t23-/m0/s1
SMILES: CN1CCN(CCCOc2ccc(CN3CCC[C@H]3C(=O)N3CCCC3)cc2)CC1
SELFIES: [C][N][C][C][N][Branch2][Ring2][Ring2][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=N]
InChI: InChI=1S/C24H38N4O2/c1-25-15-17-26(18-16-25)11-5-19-30-22-9-7-21(8-10-22)20-28-14-4-6-23(28)24(29)27-12-2-3-13-27/h7-10,23H,2-6,11-20H2,1H3/t23-/m0/s1
SMILES: CN1CCN(CCCOc2ccc(CN3CCC[C@@H]3CN3CCCC3)cc2)CC1
SELFIES: [C][N][C][C][N][Branch2][Ring1][S][C][C][C][O][C][=C][C][=C][Branch1][P][C][N][C][C][C][C@@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][N]
InChI: InChI=1S/C24H40N4O/c1-25-15-17-26(18-16-25)13-5-19-29-24-9-7-22(8-10-24)20-28-14-4-6-23(28)21-27-11-2-3-12-27/h7-10,23H,2-6,11-21H2,1H3/t23-/m1/s1
SMILES: O=C(c1ccc(OCCCN2CCCCC2)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(27-18-6-8-22(27)20-26-15-4-5-16-26)21-9-11-23(12-10-21)29-19-7-17-25-13-2-1-3-14-25/h9-12,22H,1-8,13-20H2/t22-/m1/s1
SMILES: CN1CCN(CCCOc2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)CC1
SELFIES: [C][N][C][C][N][Branch2][Ring2][Ring2][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][C][C][Ring2][Ring1][=N]
InChI: InChI=1S/C24H38N4O2/c1-25-15-17-26(18-16-25)13-5-19-30-23-9-7-21(8-10-23)24(29)28-14-4-6-22(28)20-27-11-2-3-12-27/h7-10,22H,2-6,11-20H2,1H3/t22-/m1/s1
SMILES: CC(=O)NCc1ccc(OCCCN2CCCCC2)cc1
SELFIES: [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/C17H26N2O2/c1-15(20)18-14-16-6-8-17(9-7-16)21-13-5-12-19-10-3-2-4-11-19/h6-9H,2-5,10-14H2,1H3,(H,18,20)
SMILES: Cl.Cl.Cl.c1cc(OCCCN2CCCCC2)ccc1CN1CCCNCC1
SELFIES: [Cl].[Cl].[Cl].[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][N][C][C][Ring1][#Branch1]
InChI: InChI=1S/C20H33N3O.3ClH/c1-2-12-22(13-3-1)15-5-17-24-20-8-6-19(7-9-20)18-23-14-4-10-21-11-16-23;;;/h6-9,21H,1-5,10-18H2;3*1H
SMILES: NCCOc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1
SELFIES: [N][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/C18H27N3O2/c19-9-13-23-17-7-5-15(6-8-17)18(22)21-12-3-4-16(21)14-20-10-1-2-11-20/h5-8,16H,1-4,9-14,19H2/t16-/m0/s1
SMILES: O=C(c1ccc(OCCN2CCCCC2)cc1)N1CCC[C@H]1CN1CCCCC1
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@H1][Ring1][Branch1][C][N][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C24H37N3O2/c28-24(27-17-7-8-22(27)20-26-15-5-2-6-16-26)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-/m0/s1
SMILES: c1cc(OCCCN2CCCC2)ccc1CN1CCC[C@H]1CN1CCCC1
SELFIES: [C][=C][C][Branch1][N][O][C][C][C][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][#C][C][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C23H37N3O/c1-2-13-24(12-1)16-6-18-27-23-10-8-21(9-11-23)19-26-17-5-7-22(26)20-25-14-3-4-15-25/h8-11,22H,1-7,12-20H2/t22-/m0/s1
SMILES: c1cc(OCCCN2CCCCC2)ccc1CN1CCC[C@H]1CN1CCCCC1
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][C][Ring1][=Branch1]
InChI: InChI=1S/C25H41N3O/c1-3-14-26(15-4-1)18-8-20-29-25-12-10-23(11-13-25)21-28-19-7-9-24(28)22-27-16-5-2-6-17-27/h10-13,24H,1-9,14-22H2/t24-/m0/s1
SMILES: c1cc(OCCCN2CCCCC2)ccc1CN1CCC[C@H]1CN1CCOCC1
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][O][C][C][Ring1][=Branch1]
InChI: InChI=1S/C24H39N3O2/c1-2-11-25(12-3-1)13-5-17-29-24-9-7-22(8-10-24)20-27-14-4-6-23(27)21-26-15-18-28-19-16-26/h7-10,23H,1-6,11-21H2/t23-/m0/s1
SMILES: O=C(c1ccc(OCCCN2CCCCC2)cc1)N1CCC[C@H]1CN1CCCCC1
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][C][Ring1][=Branch1]
InChI: InChI=1S/C25H39N3O2/c29-25(28-19-7-9-23(28)21-27-16-5-2-6-17-27)22-10-12-24(13-11-22)30-20-8-18-26-14-3-1-4-15-26/h10-13,23H,1-9,14-21H2/t23-/m0/s1
SMILES: O=C(c1ccc(OCCCN2CCCCC2)cc1)N1CCC[C@H]1CN1CCOCC1
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][O][C][C][Ring1][=Branch1]
InChI: InChI=1S/C24H37N3O3/c28-24(27-14-4-6-22(27)20-26-15-18-29-19-16-26)21-7-9-23(10-8-21)30-17-5-13-25-11-2-1-3-12-25/h7-10,22H,1-6,11-20H2/t22-/m0/s1
SMILES: CN(C)CCNC(=O)c1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][N][Branch1][C][C][C][C][N][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/C19H31N3O2/c1-21(2)15-11-20-19(23)17-7-9-18(10-8-17)24-16-6-14-22-12-4-3-5-13-22/h7-10H,3-6,11-16H2,1-2H3,(H,20,23)
SMILES: CN(C)CCN(C)C(=O)c1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][N][Branch1][C][C][C][C][N][Branch1][C][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/C20H33N3O2/c1-21(2)15-16-22(3)20(24)18-8-10-19(11-9-18)25-17-7-14-23-12-5-4-6-13-23/h8-11H,4-7,12-17H2,1-3H3
SMILES: O=C(NCCCN1CCCC1)c1ccc(OCCCN2CCCCC2)cc1
SELFIES: [O][=C][Branch1][N][N][C][C][C][N][C][C][C][C][Ring1][Branch1][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/C22H35N3O2/c26-22(23-12-6-17-24-15-4-5-16-24)20-8-10-21(11-9-20)27-19-7-18-25-13-2-1-3-14-25/h8-11H,1-7,12-19H2,(H,23,26)
SMILES: O=C(c1ccc(OCCCCCN2CCCCC2)cc1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][#C][O][C][C][C][C][C][N][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/C26H41N3O2/c30-26(29-20-9-10-24(29)22-28-18-6-7-19-28)23-11-13-25(14-12-23)31-21-8-2-5-17-27-15-3-1-4-16-27/h11-14,24H,1-10,15-22H2/t24-/m0/s1
SMILES: CN1CCN(CCCCCOc2ccc(C(=O)N3CCC[C@H]3CN3CCCC3)cc2)CC1
SELFIES: [C][N][C][C][N][Branch2][Ring2][=Branch1][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][C][C][Ring2][Ring1][#C]
InChI: InChI=1S/C26H42N4O2/c1-27-17-19-28(20-18-27)13-3-2-6-21-32-25-11-9-23(10-12-25)26(31)30-16-7-8-24(30)22-29-14-4-5-15-29/h9-12,24H,2-8,13-22H2,1H3/t24-/m0/s1
SMILES: O=C(c1ccc(OCCCCCN2CCCC2)cc1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][O][C][C][C][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][P][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C25H39N3O2/c29-25(28-19-8-9-23(28)21-27-17-5-6-18-27)22-10-12-24(13-11-22)30-20-7-1-2-14-26-15-3-4-16-26/h10-13,23H,1-9,14-21H2/t23-/m0/s1
SMILES: CCN(CC)CCCCCOc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][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/C25H41N3O2/c1-3-26(4-2)16-6-5-9-20-30-24-14-12-22(13-15-24)25(29)28-19-10-11-23(28)21-27-17-7-8-18-27/h12-15,23H,3-11,16-21H2,1-2H3/t23-/m0/s1
SMILES: O=C(c1ccc(OCCCCCNC2CCCC2)cc1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][#C][O][C][C][C][C][C][N][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/C26H41N3O2/c30-26(29-19-8-11-24(29)21-28-17-5-6-18-28)22-12-14-25(15-13-22)31-20-7-1-4-16-27-23-9-2-3-10-23/h12-15,23-24,27H,1-11,16-21H2/t24-/m0/s1
SMILES: O=C(c1ccc(OCCCCCNCc2ccccc2)cc1)N1CCC[C@H]1CN1CCCC1
SELFIES: [O][=C][Branch2][Ring1][N][C][=C][C][=C][Branch1][P][O][C][C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C28H39N3O2/c32-28(31-20-9-12-26(31)23-30-18-6-7-19-30)25-13-15-27(16-14-25)33-21-8-2-5-17-29-22-24-10-3-1-4-11-24/h1,3-4,10-11,13-16,26,29H,2,5-9,12,17-23H2/t26-/m0/s1
SMILES: CCNCCCCCOc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1
SELFIES: [C][C][N][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/c1-2-24-14-4-3-7-18-28-22-12-10-20(11-13-22)23(27)26-17-8-9-21(26)19-25-15-5-6-16-25/h10-13,21,24H,2-9,14-19H2,1H3/t21-/m0/s1
SMILES: CCN1CCc2ccc(OCCCN3CCCCC3)cc2C1
SELFIES: [C][C][N][C][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C19H30N2O/c1-2-20-13-9-17-7-8-19(15-18(17)16-20)22-14-6-12-21-10-4-3-5-11-21/h7-8,15H,2-6,9-14,16H2,1H3
SMILES: CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)/C=C/c2ccccc2F)C3)C(=O)O)c1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Branch1][=Branch1][C][C@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][Cl][C][C][N][Branch1][S][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C29H25Cl2FN2O6S/c1-41(39,40)20-7-4-5-17(13-20)14-24(29(37)38)33-28(36)26-22(30)15-19-16-34(12-11-21(19)27(26)31)25(35)10-9-18-6-2-3-8-23(18)32/h2-10,13,15,24H,11-12,14,16H2,1H3,(H,33,36)(H,37,38)/b10-9+/t24-/m0/s1
SMILES: CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)c1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][N][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][O][=C][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C17H15Cl2NO5S/c1-26(24,25)11-5-2-4-10(8-11)9-14(17(22)23)20-16(21)15-12(18)6-3-7-13(15)19/h2-8,14H,9H2,1H3,(H,20,21)(H,22,23)/t14-/m0/s1
SMILES: N#C/N=C(\NC[C@H](NC(=O)c1c(Cl)cccc1Cl)C(=O)O)N1CCCC1
SELFIES: [N][#C][/N][=C][Branch2][Ring1][=N][\N][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][O][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C16H17Cl2N5O3/c17-10-4-3-5-11(18)13(10)14(24)22-12(15(25)26)8-20-16(21-9-19)23-6-1-2-7-23/h3-5,12H,1-2,6-8H2,(H,20,21)(H,22,24)(H,25,26)/t12-/m0/s1
SMILES: CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc(CCCc3ccc4cn[nH]c4c3)cc2Cl)C(=O)O)c1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][#C][C][C@H1][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][Branch1][P][C][C][C][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][Cl][C][=Branch1][C][=O][O][=C][Ring2][Ring2][C]
InChI: InChI=1S/C27H25Cl2N3O5S/c1-38(36,37)20-7-3-6-17(10-20)14-24(27(34)35)31-26(33)25-21(28)11-18(12-22(25)29)5-2-4-16-8-9-19-15-30-32-23(19)13-16/h3,6-13,15,24H,2,4-5,14H2,1H3,(H,30,32)(H,31,33)(H,34,35)/t24-/m0/s1
SMILES: N#C/N=C(\NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3cn[nH]c3c1)C2)C(=O)O)N1CCCC1
SELFIES: [N][#C][/N][=C][Branch2][Branch1][#Branch2][\N][C][C@H1][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][Cl][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C27H26Cl2N8O4/c28-19-9-17-13-37(25(39)15-3-4-16-11-33-35-20(16)10-15)8-5-18(17)23(29)22(19)24(38)34-21(26(40)41)12-31-27(32-14-30)36-6-1-2-7-36/h3-4,9-11,21H,1-2,5-8,12-13H2,(H,31,32)(H,33,35)(H,34,38)(H,40,41)/t21-/m0/s1
SMILES: N#C/N=C(/NCCO)NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3cn[nH]c3c1)C2)C(=O)O
SELFIES: [N][#C][/N][=C][Branch1][Branch1][/N][C][C][O][N][C][C@H1][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][Cl][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C25H24Cl2N8O5/c26-17-7-15-11-35(23(38)13-1-2-14-9-32-34-18(14)8-13)5-3-16(15)21(27)20(17)22(37)33-19(24(39)40)10-30-25(31-12-28)29-4-6-36/h1-2,7-9,19,36H,3-6,10-11H2,(H,32,34)(H,33,37)(H,39,40)(H2,29,30,31)/t19-/m0/s1
SMILES: C[C@H](CO)N/C(=N/C#N)NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3cn[nH]c3c1)C2)C(=O)O
SELFIES: [C][C@H1][Branch1][Ring1][C][O][N][/C][=Branch1][Ring2][=N][/C][#N][N][C][C@H1][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][Cl][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H26Cl2N8O5/c1-13(11-37)33-26(31-12-29)30-9-20(25(40)41)34-23(38)21-18(27)6-16-10-36(5-4-17(16)22(21)28)24(39)14-2-3-15-8-32-35-19(15)7-14/h2-3,6-8,13,20,37H,4-5,9-11H2,1H3,(H,32,35)(H,34,38)(H,40,41)(H2,30,31,33)/t13-,20+/m1/s1
SMILES: N#C/N=C(\NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3cn[nH]c3c1)C2)C(=O)O)Nc1ccc(F)cc1
SELFIES: [N][#C][/N][=C][Branch2][Branch1][#Branch2][\N][C][C@H1][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][Cl][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C29H23Cl2FN8O4/c30-21-9-17-13-40(27(42)15-1-2-16-11-36-39-22(16)10-15)8-7-20(17)25(31)24(21)26(41)38-23(28(43)44)12-34-29(35-14-33)37-19-5-3-18(32)4-6-19/h1-6,9-11,23H,7-8,12-13H2,(H,36,39)(H,38,41)(H,43,44)(H2,34,35,37)/t23-/m0/s1
SMILES: N#C/N=C(\NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3cn[nH]c3c1)C2)C(=O)O)N1CC(O)C1
SELFIES: [N][#C][/N][=C][Branch2][Branch1][#Branch2][\N][C][C@H1][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][Cl][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O][N][C][C][Branch1][C][O][C][Ring1][Branch1]
InChI: InChI=1S/C26H24Cl2N8O5/c27-18-5-15-9-35(24(39)13-1-2-14-7-32-34-19(14)6-13)4-3-17(15)22(28)21(18)23(38)33-20(25(40)41)8-30-26(31-12-29)36-10-16(37)11-36/h1-2,5-7,16,20,37H,3-4,8-11H2,(H,30,31)(H,32,34)(H,33,38)(H,40,41)/t20-/m0/s1
SMILES: N#C/N=C(\NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3cn[nH]c3c1)C2)C(=O)O)N1CC[C@@H](O)C1
SELFIES: [N][#C][/N][=C][Branch2][Branch1][#Branch2][\N][C][C@H1][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][Cl][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O][N][C][C][C@@H1][Branch1][C][O][C][Ring1][=Branch1]
InChI: InChI=1S/C27H26Cl2N8O5/c28-19-7-16-11-36(25(40)14-1-2-15-9-33-35-20(15)8-14)6-4-18(16)23(29)22(19)24(39)34-21(26(41)42)10-31-27(32-13-30)37-5-3-17(38)12-37/h1-2,7-9,17,21,38H,3-6,10-12H2,(H,31,32)(H,33,35)(H,34,39)(H,41,42)/t17-,21+/m1/s1
SMILES: N#C/N=C(\NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3cn[nH]c3c1)C2)C(=O)O)N1CCC[C@@H](O)C1
SELFIES: [N][#C][/N][=C][Branch2][Branch1][#Branch2][\N][C][C@H1][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][Cl][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O][N][C][C][C][C@@H1][Branch1][C][O][C][Ring1][#Branch1]
InChI: InChI=1S/C28H28Cl2N8O5/c29-20-8-17-12-37(26(41)15-3-4-16-10-34-36-21(16)9-15)7-5-19(17)24(30)23(20)25(40)35-22(27(42)43)11-32-28(33-14-31)38-6-1-2-18(39)13-38/h3-4,8-10,18,22,39H,1-2,5-7,11-13H2,(H,32,33)(H,34,36)(H,35,40)(H,42,43)/t18-,22+/m1/s1