EdisonScientific/glyph-datasets huggingface dataset:
SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(CCCCN4CCCC4)cc3)cc2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][S][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][C][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C34H38N2/c1-27-8-18-32(19-9-27)36(33-20-10-28(2)11-21-33)34-22-16-31(17-23-34)30-14-12-29(13-15-30)7-3-4-24-35-25-5-6-26-35/h8-23H,3-7,24-26H2,1-2H3
SMILES: CCN(CCCc1ccc(-c2ccc(N(c3ccccc3)c3c(C)cc(C)cc3C)cc2)cc1)c1ccccc1
SELFIES: [C][C][N][Branch2][Branch1][=Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C38H40N2/c1-5-39(35-14-8-6-9-15-35)26-12-13-32-18-20-33(21-19-32)34-22-24-37(25-23-34)40(36-16-10-7-11-17-36)38-30(3)27-29(2)28-31(38)4/h6-11,14-25,27-28H,5,12-13,26H2,1-4H3
SMILES: Cc1cc(O)cc(C)c1S
SELFIES: [C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][S]
InChI: InChI=1S/C8H10OS/c1-5-3-7(9)4-6(2)8(5)10/h3-4,9-10H,1-2H3
SMILES: CC(C)c1cc(S)cc(C(C)C)c1O
SELFIES: [C][C][Branch1][C][C][C][=C][C][Branch1][C][S][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][#Branch2][O]
InChI: InChI=1S/C12H18OS/c1-7(2)10-5-9(14)6-11(8(3)4)12(10)13/h5-8,13-14H,1-4H3
SMILES: Cc1cc(S)cc(C)c1O
SELFIES: [C][C][=C][C][Branch1][C][S][=C][C][Branch1][C][C][=C][Ring1][Branch2][O]
InChI: InChI=1S/C8H10OS/c1-5-3-7(10)4-6(2)8(5)9/h3-4,9-10H,1-2H3
SMILES: Cc1cc(O)c(C(C)C)cc1S
SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S]
InChI: InChI=1S/C10H14OS/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4-6,11-12H,1-3H3
SMILES: Cc1cc(S)c(C)c(C)c1O
SELFIES: [C][C][=C][C][Branch1][C][S][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2][O]
InChI: InChI=1S/C9H12OS/c1-5-4-8(11)6(2)7(3)9(5)10/h4,10-11H,1-3H3
SMILES: Cc1cc(O)c(C(C)(C)C)cc1S
SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][O][S]
InChI: InChI=1S/C11H16OS/c1-7-5-9(12)8(6-10(7)13)11(2,3)4/h5-6,12-13H,1-4H3
SMILES: CCCC(C)(C)c1cc(O)ccc1O
SELFIES: [C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C12H18O2/c1-4-7-12(2,3)10-8-9(13)5-6-11(10)14/h5-6,8,13-14H,4,7H2,1-3H3
SMILES: CCCC(C)(C)c1cc(O)c(C(C)(C)CCC)cc1O
SELFIES: [C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][=C][Ring1][=N][O]
InChI: InChI=1S/C18H30O2/c1-7-9-17(3,4)13-11-16(20)14(12-15(13)19)18(5,6)10-8-2/h11-12,19-20H,7-10H2,1-6H3
SMILES: Oc1cc(C2CCCCC2)c(O)cc1C1CCCCC1
SELFIES: [O][C][=C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][O][C][=C][Ring1][=N][C][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C18H26O2/c19-17-12-16(14-9-5-2-6-10-14)18(20)11-15(17)13-7-3-1-4-8-13/h11-14,19-20H,1-10H2
SMILES: C=CCCCCc1cc(O)c(CCC=C)cc1O
SELFIES: [C][=C][C][C][C][C][C][=C][C][Branch1][C][O][=C][Branch1][Branch1][C][C][C][=C][C][=C][Ring1][O][O]
InChI: InChI=1S/C16H22O2/c1-3-5-7-8-10-14-12-15(17)13(9-6-4-2)11-16(14)18/h3-4,11-12,17-18H,1-2,5-10H2
SMILES: CCC(C)(CCCC(C)C)c1cc(O)ccc1O
SELFIES: [C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C16H26O2/c1-5-16(4,10-6-7-12(2)3)14-11-13(17)8-9-15(14)18/h8-9,11-12,17-18H,5-7,10H2,1-4H3
SMILES: CC(C)(C)CC(C)(C)c1cc(O)c(Sc2ccc3scnc3c2)cc1O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][#C][S][C][=C][C][=C][S][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Ring1][P][O]
InChI: InChI=1S/C21H25NO2S2/c1-20(2,3)11-21(4,5)14-9-17(24)19(10-16(14)23)26-13-6-7-18-15(8-13)22-12-25-18/h6-10,12,23-24H,11H2,1-5H3
SMILES: O=C(c1nc2ccccc2o1)c1cc(O)c(C(=O)c2nc3ccccc3o2)cc1O
SELFIES: [O][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][C][O]
InChI: InChI=1S/C22H12N2O6/c25-15-10-12(20(28)22-24-14-6-2-4-8-18(14)30-22)16(26)9-11(15)19(27)21-23-13-5-1-3-7-17(13)29-21/h1-10,25-26H
SMILES: CC(C)(CCCl)c1cc(O)c(C(C)(C)CCCl)cc1O
SELFIES: [C][C][Branch1][C][C][Branch1][Ring2][C][C][Cl][C][=C][C][Branch1][C][O][=C][Branch1][O][C][Branch1][C][C][Branch1][C][C][C][C][Cl][C][=C][Ring1][=N][O]
InChI: InChI=1S/C16H24Cl2O2/c1-15(2,5-7-17)11-9-14(20)12(10-13(11)19)16(3,4)6-8-18/h9-10,19-20H,5-8H2,1-4H3
SMILES: CCCC(C)(C)c1cc(O)cc(C(C)(C)CCC)c1O
SELFIES: [C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][C][Branch1][O][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][Ring1][=N][O]
InChI: InChI=1S/C18H30O2/c1-7-9-17(3,4)14-11-13(19)12-15(16(14)20)18(5,6)10-8-2/h11-12,19-20H,7-10H2,1-6H3
SMILES: CC(C)(C)c1cc(O)cc(C(C)(C)C)c1O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][O][O]
InChI: InChI=1S/C14H22O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,15-16H,1-6H3
SMILES: CCC(C)(CC)c1cc(O)c(C(C)(CC)CC)cc1O
SELFIES: [C][C][C][Branch1][C][C][Branch1][Ring1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][O][C][Branch1][C][C][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=N][O]
InChI: InChI=1S/C18H30O2/c1-7-17(5,8-2)13-11-16(20)14(12-15(13)19)18(6,9-3)10-4/h11-12,19-20H,7-10H2,1-6H3
SMILES: CC(C)CCC(C)(C)c1cc(O)cc(C(C)(C)CCC(C)C)c1O
SELFIES: [C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][C][Branch1][#C][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][=C][Ring1][#C][O]
InChI: InChI=1S/C22H38O2/c1-15(2)9-11-21(5,6)18-13-17(23)14-19(20(18)24)22(7,8)12-10-16(3)4/h13-16,23-24H,9-12H2,1-8H3
SMILES: CC(C)CCC(C)(C)c1cc(O)c(C(C)(C)CCC(C)C)cc1O
SELFIES: [C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][#C][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][C][=C][Ring1][#C][O]
InChI: InChI=1S/C22H38O2/c1-15(2)9-11-21(5,6)17-13-20(24)18(14-19(17)23)22(7,8)12-10-16(3)4/h13-16,23-24H,9-12H2,1-8H3
SMILES: C/C=C\Cc1cc(O)ccc1O
SELFIES: [C][/C][=C][\C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C10H12O2/c1-2-3-4-8-7-9(11)5-6-10(8)12/h2-3,5-7,11-12H,4H2,1H3/b3-2-
SMILES: C/C(=C/Cc1cc(O)ccc1O)CC/C=C(\C)CCl
SELFIES: [C][/C][=Branch1][#C][=C][/C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O][C][C][/C][=C][Branch1][C][\C][C][Cl]
InChI: InChI=1S/C16H21ClO2/c1-12(4-3-5-13(2)11-17)6-7-14-10-15(18)8-9-16(14)19/h5-6,8-10,18-19H,3-4,7,11H2,1-2H3/b12-6-,13-5+
SMILES: Oc1ccc(O)c(C2CCCCC2)c1
SELFIES: [O][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=N]
InChI: InChI=1S/C12H16O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9,13-14H,1-5H2
SMILES: Cc1cc(O)c(C2CCCCCC2)cc1O
SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=C][O]
InChI: InChI=1S/C14H20O2/c1-10-8-14(16)12(9-13(10)15)11-6-4-2-3-5-7-11/h8-9,11,15-16H,2-7H2,1H3
SMILES: Cc1cc(O)c(CC(C)N(C)C)cc1O
SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch1][O][C][C][Branch1][C][C][N][Branch1][C][C][C][C][=C][Ring1][=N][O]
InChI: InChI=1S/C12H19NO2/c1-8-5-12(15)10(7-11(8)14)6-9(2)13(3)4/h5,7,9,14-15H,6H2,1-4H3
SMILES: CC(C)(C)CCc1cc(O)ccc1O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C12H18O2/c1-12(2,3)7-6-9-8-10(13)4-5-11(9)14/h4-5,8,13-14H,6-7H2,1-3H3
SMILES: CC(C)=CCC=C(C)c1cc(O)c(C)cc1O
SELFIES: [C][C][Branch1][C][C][=C][C][C][=C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][C][C][=C][Ring1][Branch2][O]
InChI: InChI=1S/C15H20O2/c1-10(2)6-5-7-11(3)13-9-14(16)12(4)8-15(13)17/h6-9,16-17H,5H2,1-4H3
SMILES: CC(C)=CCc1cc(O)c(C)c(C)c1O
SELFIES: [C][C][Branch1][C][C][=C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2][O]
InChI: InChI=1S/C13H18O2/c1-8(2)5-6-11-7-12(14)9(3)10(4)13(11)15/h5,7,14-15H,6H2,1-4H3
SMILES: CSCCCC(C)(C)c1cc(O)ccc1O
SELFIES: [C][S][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C13H20O2S/c1-13(2,7-4-8-16-3)11-9-10(14)5-6-12(11)15/h5-6,9,14-15H,4,7-8H2,1-3H3
SMILES: CC(C)=CCC(C)/C=C/c1cc(O)cc(C)c1O
SELFIES: [C][C][Branch1][C][C][=C][C][C][Branch1][C][C][/C][=C][/C][=C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][O]
InChI: InChI=1S/C16H22O2/c1-11(2)5-6-12(3)7-8-14-10-15(17)9-13(4)16(14)18/h5,7-10,12,17-18H,6H2,1-4H3/b8-7+
SMILES: C.C.C/C(=C\Cc1cc(O)c(C)c(C)c1O)CCCC(C)C
SELFIES: [C].[C].[C][/C][=Branch2][Ring1][Branch1][=C][\C][C][=C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2][O][C][C][C][C][Branch1][C][C][C]
InChI: InChI=1S/C18H28O2.2CH4/c1-12(2)7-6-8-13(3)9-10-16-11-17(19)14(4)15(5)18(16)20;;/h9,11-12,19-20H,6-8,10H2,1-5H3;2*1H4/b13-9-;;
SMILES: C.C.C/C(=C\Cc1c(C)c(O)cc(C)c1O)CCCC(C)C
SELFIES: [C].[C].[C][/C][=Branch2][Ring1][Branch1][=C][\C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O][C][C][C][C][Branch1][C][C][C]
InChI: InChI=1S/C18H28O2.2CH4/c1-12(2)7-6-8-13(3)9-10-16-15(5)17(19)11-14(4)18(16)20;;/h9,11-12,19-20H,6-8,10H2,1-5H3;2*1H4/b13-9-;;
SMILES: Oc1ccc(O)c(P(c2ccccc2)c2ccccc2)c1
SELFIES: [O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C18H15O2P/c19-14-11-12-17(20)18(13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,19-20H
SMILES: C.C.CCC(CC)c1cc(O)ccc1O
SELFIES: [C].[C].[C][C][C][Branch1][Ring1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C11H16O2.2CH4/c1-3-8(4-2)10-7-9(12)5-6-11(10)13;;/h5-8,12-13H,3-4H2,1-2H3;2*1H4
SMILES: C.C.CCc1cc(O)c(CC)cc1O
SELFIES: [C].[C].[C][C][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][C][C][C][=C][Ring1][=Branch2][O]
InChI: InChI=1S/C10H14O2.2CH4/c1-3-7-5-10(12)8(4-2)6-9(7)11;;/h5-6,11-12H,3-4H2,1-2H3;2*1H4
SMILES: C.C.OCc1cc(O)ccc1O
SELFIES: [C].[C].[O][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C7H8O3.2CH4/c8-4-5-3-6(9)1-2-7(5)10;;/h1-3,8-10H,4H2;2*1H4
SMILES: C.C.C.C.CCC(C)C(O)Cc1cc(O)ccc1O
SELFIES: [C].[C].[C].[C].[C][C][C][Branch1][C][C][C][Branch1][C][O][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C12H18O3.4CH4/c1-3-8(2)12(15)7-9-6-10(13)4-5-11(9)14;;;;/h4-6,8,12-15H,3,7H2,1-2H3;4*1H4
SMILES: CC(C)(O)c1cc(O)ccc1O
SELFIES: [C][C][Branch1][C][C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C9H12O3/c1-9(2,12)7-5-6(10)3-4-8(7)11/h3-5,10-12H,1-2H3
SMILES: C.C.Cc1cc(O)c(C)c(CCC(C)(O)CCCC(C)C)c1O
SELFIES: [C].[C].[C][C][=C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch2][Ring1][C][C][C][C][Branch1][C][C][Branch1][C][O][C][C][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring1][O]
InChI: InChI=1S/C18H30O3.2CH4/c1-12(2)7-6-9-18(5,21)10-8-15-14(4)16(19)11-13(3)17(15)20;;/h11-12,19-21H,6-10H2,1-5H3;2*1H4
SMILES: C.C.COc1cc(O)c(CO)cc1O
SELFIES: [C].[C].[C][O][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][C][O][C][=C][Ring1][=Branch2][O]
InChI: InChI=1S/C8H10O4.2CH4/c1-12-8-3-6(10)5(4-9)2-7(8)11;;/h2-3,9-11H,4H2,1H3;2*1H4
SMILES: COc1cc(O)c(CC=C(C)C)cc1O
SELFIES: [C][O][C][=C][C][Branch1][C][O][=C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][Ring1][N][O]
InChI: InChI=1S/C12H16O3/c1-8(2)4-5-9-6-11(14)12(15-3)7-10(9)13/h4,6-7,13-14H,5H2,1-3H3
SMILES: COc1cc(O)c(C(C)(C)CC(C)(C)C)cc1O
SELFIES: [C][O][C][=C][C][Branch1][C][O][=C][Branch1][P][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#C][O]
InChI: InChI=1S/C15H24O3/c1-14(2,3)9-15(4,5)10-7-12(17)13(18-6)8-11(10)16/h7-8,16-17H,9H2,1-6H3
SMILES: CC(C)=CCc1cc(O)ccc1O
SELFIES: [C][C][Branch1][C][C][=C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C11H14O2/c1-8(2)3-4-9-7-10(12)5-6-11(9)13/h3,5-7,12-13H,4H2,1-2H3
SMILES: CCC(C)CCc1cc(O)ccc1O
SELFIES: [C][C][C][Branch1][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C12H18O2/c1-3-9(2)4-5-10-8-11(13)6-7-12(10)14/h6-9,13-14H,3-5H2,1-2H3
SMILES: Cc1cc(O)c(C(C)(C)CC(C)(C)C)cc1O
SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch1][P][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#C][O]
InChI: InChI=1S/C15H24O2/c1-10-7-13(17)11(8-12(10)16)15(5,6)9-14(2,3)4/h7-8,16-17H,9H2,1-6H3
SMILES: C.C.CC/C(C)=C/Cc1cc(O)c(C)cc1O
SELFIES: [C].[C].[C][C][/C][Branch1][C][C][=C][/C][C][=C][C][Branch1][C][O][=C][Branch1][C][C][C][=C][Ring1][Branch2][O]
InChI: InChI=1S/C13H18O2.2CH4/c1-4-9(2)5-6-11-8-12(14)10(3)7-13(11)15;;/h5,7-8,14-15H,4,6H2,1-3H3;2*1H4/b9-5+;;
SMILES: C.C.C/C(=C\Cc1cc(O)c(C)cc1O)CCCC(C)C
SELFIES: [C].[C].[C][/C][=Branch2][Ring1][C][=C][\C][C][=C][C][Branch1][C][O][=C][Branch1][C][C][C][=C][Ring1][Branch2][O][C][C][C][C][Branch1][C][C][C]
InChI: InChI=1S/C17H26O2.2CH4/c1-12(2)6-5-7-13(3)8-9-15-11-16(18)14(4)10-17(15)19;;/h8,10-12,18-19H,5-7,9H2,1-4H3;2*1H4/b13-8-;;
SMILES: C=CC=CCc1cc(O)ccc1O
SELFIES: [C][=C][C][=C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C11H12O2/c1-2-3-4-5-9-8-10(12)6-7-11(9)13/h2-4,6-8,12-13H,1,5H2
SMILES: CC(C)(C)CC(C)(C)c1cc(O)ccc1O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C14H22O2/c1-13(2,3)9-14(4,5)11-8-10(15)6-7-12(11)16/h6-8,15-16H,9H2,1-5H3
SMILES: Oc1cc(CN2CCOCC2)c(O)cc1CN1CCOCC1
SELFIES: [O][C][=C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][O][C][=C][Ring1][=C][C][N][C][C][O][C][C][Ring1][=Branch1]
InChI: InChI=1S/C16H24N2O4/c19-15-10-14(12-18-3-7-22-8-4-18)16(20)9-13(15)11-17-1-5-21-6-2-17/h9-10,19-20H,1-8,11-12H2
SMILES: Oc1cc(CN2CCCCC2)c(O)cc1CN1CCCCC1
SELFIES: [O][C][=C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][O][C][=C][Ring1][=C][C][N][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C18H28N2O2/c21-17-12-16(14-20-9-5-2-6-10-20)18(22)11-15(17)13-19-7-3-1-4-8-19/h11-12,21-22H,1-10,13-14H2
SMILES: C.C.C.C.CCC(CC)c1cc(O)c(C(CC)CC)cc1O
SELFIES: [C].[C].[C].[C].[C][C][C][Branch1][Ring1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][Branch2][C][Branch1][Ring1][C][C][C][C][C][=C][Ring1][N][O]
InChI: InChI=1S/C16H26O2.4CH4/c1-5-11(6-2)13-9-16(18)14(10-15(13)17)12(7-3)8-4;;;;/h9-12,17-18H,5-8H2,1-4H3;4*1H4
SMILES: C.C.C.C.CCC(C)(CCCC(C)C)c1cc(O)c(C(C)(CC)CCCC(C)C)cc1O
SELFIES: [C].[C].[C].[C].[C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][C][=C][C][Branch1][C][O][=C][Branch1][P][C][Branch1][C][C][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][C][C][C][=C][Ring1][P][O]
InChI: InChI=1S/C26H46O2.4CH4/c1-9-25(7,15-11-13-19(3)4)21-17-24(28)22(18-23(21)27)26(8,10-2)16-12-14-20(5)6;;;;/h17-20,27-28H,9-16H2,1-8H3;4*1H4
SMILES: CC(C)=CCc1cc(O)cc(CC=C(C)C)c1O
SELFIES: [C][C][Branch1][C][C][=C][C][C][=C][C][Branch1][C][O][=C][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][=C][Ring1][N][O]
InChI: InChI=1S/C16H22O2/c1-11(2)5-7-13-9-15(17)10-14(16(13)18)8-6-12(3)4/h5-6,9-10,17-18H,7-8H2,1-4H3
SMILES: Oc1ccc(O)c(C2C=CCC2)c1
SELFIES: [O][C][=C][C][=C][Branch1][C][O][C][Branch1][Branch2][C][C][=C][C][C][Ring1][Branch1][=C][Ring1][N]
InChI: InChI=1S/C11H12O2/c12-9-5-6-11(13)10(7-9)8-3-1-2-4-8/h1,3,5-8,12-13H,2,4H2
SMILES: Oc1ccc(O)c(C2CCCC2)c1
SELFIES: [O][C][=C][C][=C][Branch1][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=C][Ring1][N]
InChI: InChI=1S/C11H14O2/c12-9-5-6-11(13)10(7-9)8-3-1-2-4-8/h5-8,12-13H,1-4H2
SMILES: Cc1c(O)cc(C(C)(C)CC(C)(C)C)c(O)c1C
SELFIES: [C][C][=C][Branch1][C][O][C][=C][Branch1][P][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][O][=C][Ring1][S][C]
InChI: InChI=1S/C16H26O2/c1-10-11(2)14(18)12(8-13(10)17)16(6,7)9-15(3,4)5/h8,17-18H,9H2,1-7H3
SMILES: Cc1cc(O)c(C(C)(C)CC(C)(C)C)c(C)c1O
SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch1][P][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][S][O]
InChI: InChI=1S/C16H26O2/c1-10-8-12(17)13(11(2)14(10)18)16(6,7)9-15(3,4)5/h8,17-18H,9H2,1-7H3
SMILES: CC(C)=CCc1c(C)c(O)cc(C)c1O
SELFIES: [C][C][Branch1][C][C][=C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O]
InChI: InChI=1S/C13H18O2/c1-8(2)5-6-11-10(4)12(14)7-9(3)13(11)15/h5,7,14-15H,6H2,1-4H3
SMILES: CC(C)=CCc1c(O)cc(C)c(O)c1C
SELFIES: [C][C][Branch1][C][C][=C][C][C][=C][Branch1][C][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][=Branch2][C]
InChI: InChI=1S/C13H18O2/c1-8(2)5-6-11-10(4)13(15)9(3)7-12(11)14/h5,7,14-15H,6H2,1-4H3
SMILES: C=C(C)Cc1c(C)c(O)cc(C)c1O
SELFIES: [C][=C][Branch1][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O]
InChI: InChI=1S/C12H16O2/c1-7(2)5-10-9(4)11(13)6-8(3)12(10)14/h6,13-14H,1,5H2,2-4H3
SMILES: C.C.CCC(C)(CC)c1cc(O)ccc1O
SELFIES: [C].[C].[C][C][C][Branch1][C][C][Branch1][Ring1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C12H18O2.2CH4/c1-4-12(3,5-2)10-8-9(13)6-7-11(10)14;;/h6-8,13-14H,4-5H2,1-3H3;2*1H4
SMILES: CC(C)CCc1c(O)ccc(O)c1CO
SELFIES: [C][C][Branch1][C][C][C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][O]
InChI: InChI=1S/C12H18O3/c1-8(2)3-4-9-10(7-13)12(15)6-5-11(9)14/h5-6,8,13-15H,3-4,7H2,1-2H3
SMILES: Oc1ccc(O)c(-n2nnc3ccccc32)c1
SELFIES: [O][C][=C][C][=C][Branch1][C][O][C][Branch1][=C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring1][S]
InChI: InChI=1S/C12H9N3O2/c16-8-5-6-12(17)11(7-8)15-10-4-2-1-3-9(10)13-14-15/h1-7,16-17H
SMILES: Oc1ccc(O)c(Cc2cc(O)ccc2O)c1
SELFIES: [O][C][=C][C][=C][Branch1][C][O][C][Branch1][=C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O][=C][Ring1][S]
InChI: InChI=1S/C13H12O4/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,14-17H,5H2
SMILES: COc1cc(O)c(Cc2cc(O)c(OC)cc2O)cc1O
SELFIES: [C][O][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][O][C][=C][Ring2][Ring1][C][O]
InChI: InChI=1S/C15H16O6/c1-20-14-6-10(16)8(4-12(14)18)3-9-5-13(19)15(21-2)7-11(9)17/h4-7,16-19H,3H2,1-2H3
SMILES: Cc1cc(O)c(C2(C)CCCCC2)cc1O
SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch1][N][C][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=C][O]
InChI: InChI=1S/C14H20O2/c1-10-8-13(16)11(9-12(10)15)14(2)6-4-3-5-7-14/h8-9,15-16H,3-7H2,1-2H3
SMILES: CC(CCCN1CCCCC1)c1cc(O)ccc1O
SELFIES: [C][C][Branch1][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C16H25NO2/c1-13(15-12-14(18)7-8-16(15)19)6-5-11-17-9-3-2-4-10-17/h7-8,12-13,18-19H,2-6,9-11H2,1H3
SMILES: Cc1cc(O)c(C2(C)CCCC2(C)C)cc1O
SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch1][#C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][Branch1][C][C][C][C][=C][Ring1][#C][O]
InChI: InChI=1S/C15H22O2/c1-10-8-13(17)11(9-12(10)16)15(4)7-5-6-14(15,2)3/h8-9,16-17H,5-7H2,1-4H3
SMILES: Oc1cc(N2CCOCC2)c(O)cc1N1CCOCC1
SELFIES: [O][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][O][C][=C][Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1]
InChI: InChI=1S/C14H20N2O4/c17-13-10-12(16-3-7-20-8-4-16)14(18)9-11(13)15-1-5-19-6-2-15/h9-10,17-18H,1-8H2
SMILES: Oc1cc(N2CCCCC2)c(O)cc1N1CCCCC1
SELFIES: [O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][O][C][=C][Ring1][=N][N][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C16H24N2O2/c19-15-12-14(18-9-5-2-6-10-18)16(20)11-13(15)17-7-3-1-4-8-17/h11-12,19-20H,1-10H2
SMILES: CC(C)(CCCCl)c1cc(O)c(C(C)(C)CCCCl)cc1O
SELFIES: [C][C][Branch1][C][C][Branch1][Branch1][C][C][C][Cl][C][=C][C][Branch1][C][O][=C][Branch1][N][C][Branch1][C][C][Branch1][C][C][C][C][C][Cl][C][=C][Ring1][=C][O]
InChI: InChI=1S/C18H28Cl2O2/c1-17(2,7-5-9-19)13-11-16(22)14(12-15(13)21)18(3,4)8-6-10-20/h11-12,21-22H,5-10H2,1-4H3
SMILES: CC1(c2cc(O)c(C3(C)CCC(=O)CC3)cc2O)CCC(=O)CC1
SELFIES: [C][C][Branch2][Ring1][=N][C][=C][C][Branch1][C][O][=C][Branch1][#C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][Ring1][#C][O][C][C][C][=Branch1][C][=O][C][C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C20H26O4/c1-19(7-3-13(21)4-8-19)15-11-18(24)16(12-17(15)23)20(2)9-5-14(22)6-10-20/h11-12,23-24H,3-10H2,1-2H3
SMILES: CC1=CCC(C(C)(C)c2cc(O)c(C(C)(C)C3CC=C(C)C(=O)C3)cc2O)CC1=O
SELFIES: [C][C][=C][C][C][Branch2][Ring2][=N][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][Branch2][C][=C][Ring2][Ring1][C][O][C][C][Ring2][Ring1][N][=O]
InChI: InChI=1S/C26H34O4/c1-15-7-9-17(11-21(15)27)25(3,4)19-13-24(30)20(14-23(19)29)26(5,6)18-10-8-16(2)22(28)12-18/h7-8,13-14,17-18,29-30H,9-12H2,1-6H3
SMILES: CC(=O)CCCC(C)(C)c1cc(O)c(C(C)(C)CCCC(C)=O)cc1O
SELFIES: [C][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][S][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][=O][C][=C][Ring1][S][O]
InChI: InChI=1S/C22H34O4/c1-15(23)9-7-11-21(3,4)17-13-20(26)18(14-19(17)25)22(5,6)12-8-10-16(2)24/h13-14,25-26H,7-12H2,1-6H3
SMILES: CC(C)(CCc1ccc2c(c1)OCO2)c1cc(O)c(C(C)(C)CCc2ccc3c(c2)OCO3)cc1O
SELFIES: [C][C][Branch1][C][C][Branch2][Ring1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][O]
InChI: InChI=1S/C30H34O6/c1-29(2,11-9-19-5-7-25-27(13-19)35-17-33-25)21-15-24(32)22(16-23(21)31)30(3,4)12-10-20-6-8-26-28(14-20)36-18-34-26/h5-8,13-16,31-32H,9-12,17-18H2,1-4H3
SMILES: CC1(c2cc(O)c(-c3ccccc3)cc2O)CCc2ccccc2C1
SELFIES: [C][C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][C][O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C23H22O2/c1-23(12-11-16-7-5-6-10-18(16)15-23)20-14-21(24)19(13-22(20)25)17-8-3-2-4-9-17/h2-10,13-14,24-25H,11-12,15H2,1H3
SMILES: CC(C)(CCc1ccc2c(c1)OCO2)c1cc(O)c(-c2ccccc2)cc1O
SELFIES: [C][C][Branch1][C][C][Branch2][Ring1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][O]
InChI: InChI=1S/C24H24O4/c1-24(2,11-10-16-8-9-22-23(12-16)28-15-27-22)19-14-20(25)18(13-21(19)26)17-6-4-3-5-7-17/h3-9,12-14,25-26H,10-11,15H2,1-2H3
SMILES: Oc1cc(Sc2ccccc2)c(O)cc1Sc1ccccc1
SELFIES: [O][C][=C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][=C][Ring1][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C18H14O2S2/c19-15-12-18(22-14-9-5-2-6-10-14)16(20)11-17(15)21-13-7-3-1-4-8-13/h1-12,19-20H
SMILES: COc1ccc(-c2cc(O)c(-c3ccc(OC)cc3)cc2O)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][Branch1][C][O][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][#C][O][C][=C][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C20H18O4/c1-23-15-7-3-13(4-8-15)17-11-20(22)18(12-19(17)21)14-5-9-16(24-2)10-6-14/h3-12,21-22H,1-2H3
SMILES: Cc1ccc(-c2cc(O)c(-c3ccc(C)cc3)cc2O)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][C][O][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][O][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C20H18O2/c1-13-3-7-15(8-4-13)17-11-20(22)18(12-19(17)21)16-9-5-14(2)6-10-16/h3-12,21-22H,1-2H3