EdisonScientific/glyph-datasets huggingface dataset:
SMILES: Oc1cc(-c2ccc(-c3ccccc3)cc2)c(O)cc1-c1ccc(-c2ccccc2)cc1
SELFIES: [O][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][Branch1][C][O][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]
InChI: InChI=1S/C30H22O2/c31-29-20-28(26-17-13-24(14-18-26)22-9-5-2-6-10-22)30(32)19-27(29)25-15-11-23(12-16-25)21-7-3-1-4-8-21/h1-20,31-32H
SMILES: O=C1c2ccccc2C(=O)N1c1cc(O)c(N2C(=O)c3ccccc3C2=O)cc1O
SELFIES: [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C][O]
InChI: InChI=1S/C22H12N2O6/c25-17-10-16(24-21(29)13-7-3-4-8-14(13)22(24)30)18(26)9-15(17)23-19(27)11-5-1-2-6-12(11)20(23)28/h1-10,25-26H
SMILES: Cc1ccc(-c2cc(O)c(-c3ccc(C)cc3C)cc2O)c(C)c1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][Branch1][C][O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=C][Ring1][#C][O][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C22H22O2/c1-13-5-7-17(15(3)9-13)19-11-22(24)20(12-21(19)23)18-8-6-14(2)10-16(18)4/h5-12,23-24H,1-4H3
SMILES: Oc1cc(-c2ccc(Oc3ccccc3)cc2)c(O)cc1-c1ccc(Oc2ccccc2)cc1
SELFIES: [O][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=C][Branch1][C][O][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N]
InChI: InChI=1S/C30H22O4/c31-29-20-28(22-13-17-26(18-14-22)34-24-9-5-2-6-10-24)30(32)19-27(29)21-11-15-25(16-12-21)33-23-7-3-1-4-8-23/h1-20,31-32H
SMILES: Oc1cc(Sc2cc(O)c(-c3ccc(Cc4ccccc4)cc3)cc2O)c(O)cc1Cc1ccccc1
SELFIES: [O][C][=C][C][Branch2][Ring2][Branch1][S][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring2][O][=C][Branch1][C][O][C][=C][Ring2][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C32H26O4S/c33-27-19-31(29(35)17-25(27)16-22-9-5-2-6-10-22)37-32-20-28(34)26(18-30(32)36)24-13-11-23(12-14-24)15-21-7-3-1-4-8-21/h1-14,17-20,33-36H,15-16H2
SMILES: Cc1c(C)c2c(c(C)c1O)CCC(C)(C)O2
SELFIES: [C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][N]
InChI: InChI=1S/C14H20O2/c1-8-9(2)13-11(10(3)12(8)15)6-7-14(4,5)16-13/h15H,6-7H2,1-5H3
SMILES: Cc1cc(Oc2c(O)cc(C)c3c2CCC(C)(CCCC(C)C)O3)cc2c1OC(C)(CCCC(C)C)CC2
SELFIES: [C][C][=C][C][Branch2][Ring2][Ring1][O][C][=C][Branch1][C][O][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][O][Ring1][=N][=C][C][=C][Ring2][Ring1][#Branch2][O][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][C][C][Ring1][=N]
InChI: InChI=1S/C34H50O4/c1-22(2)11-9-15-33(7)17-13-26-21-27(19-24(5)30(26)37-33)36-32-28-14-18-34(8,16-10-12-23(3)4)38-31(28)25(6)20-29(32)35/h19-23,35H,9-18H2,1-8H3
SMILES: Cc1c(C)c2c(c(CCc3c(O)c(C)c(C)c4c3CCC(C)(C)O4)c1O)CCC(C)(C)O2
SELFIES: [C][C][=C][Branch1][C][C][C][=C][Branch2][Ring2][=Branch2][C][Branch2][Ring1][S][C][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2][=C][Ring2][Ring1][Branch2][O][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][N]
InChI: InChI=1S/C28H38O4/c1-15-17(3)25-21(11-13-27(5,6)31-25)19(23(15)29)9-10-20-22-12-14-28(7,8)32-26(22)18(4)16(2)24(20)30/h29-30H,9-14H2,1-8H3
SMILES: Cc1c(C)c2c(c(CCc3c(O)c(C)c(C)c4c3CCC(C)(CCCC(C)C)O4)c1O)CCC(C)(CCCC(C)C)O2
SELFIES: [C][C][=C][Branch1][C][C][C][=C][Branch2][Ring2][S][C][Branch2][Ring2][#Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][O][Ring1][=N][=C][Ring2][Ring1][=N][O][C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][O][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C38H58O4/c1-23(2)13-11-19-37(9)21-17-31-29(33(39)25(5)27(7)35(31)41-37)15-16-30-32-18-22-38(10,20-12-14-24(3)4)42-36(32)28(8)26(6)34(30)40/h23-24,39-40H,11-22H2,1-10H3
SMILES: Cc1cc(O)c(Oc2c(O)cc(C)c3c2CCC(C)(CCCC(C)C)O3)c2c1OC(C)(CCCC(C)C)CC2
SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch2][Ring2][Ring1][O][C][=C][Branch1][C][O][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][O][Ring1][=N][C][=C][Ring2][Ring1][O][O][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][C][C][Ring1][=N]
InChI: InChI=1S/C34H50O5/c1-21(2)11-9-15-33(7)17-13-25-29(38-33)23(5)19-27(35)31(25)37-32-26-14-18-34(8,16-10-12-22(3)4)39-30(26)24(6)20-28(32)36/h19-22,35-36H,9-18H2,1-8H3
SMILES: Cc1c(Oc2c(O)c(C)c(C)c3c2CCC(C)(C)O3)cc2c(c1C)OC(C)(C)CC2
SELFIES: [C][C][=C][Branch2][Ring1][#C][O][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2][C][=C][C][=Branch1][=Branch1][=C][Ring2][Ring1][=Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch2]
InChI: InChI=1S/C26H34O4/c1-14-16(3)22-18(9-11-25(5,6)29-22)13-20(14)28-24-19-10-12-26(7,8)30-23(19)17(4)15(2)21(24)27/h13,27H,9-12H2,1-8H3
SMILES: Cc1c(Oc2c(O)c(C)c(C)c3c2CCC(C)(CCCC(C)C)O3)cc2c(c1C)OC(C)(CCCC(C)C)CC2
SELFIES: [C][C][=C][Branch2][Ring2][=Branch1][O][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][O][Ring1][=N][C][=C][C][=Branch1][=Branch1][=C][Ring2][Ring1][O][C][O][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][C][C][Ring1][#C]
InChI: InChI=1S/C36H54O4/c1-22(2)13-11-17-35(9)19-15-28-21-30(24(5)26(7)32(28)39-35)38-34-29-16-20-36(10,18-12-14-23(3)4)40-33(29)27(8)25(6)31(34)37/h21-23,37H,11-20H2,1-10H3
SMILES: Cc1c(O)c(CCc2ccc3c(c2C)OC(C)(C)CC3)c(C)c2c1CCC(C)(C)O2
SELFIES: [C][C][=C][Branch1][C][O][C][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch2][=C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2]
InChI: InChI=1S/C27H36O3/c1-16-19(8-9-20-12-14-26(4,5)29-24(16)20)10-11-21-18(3)25-22(17(2)23(21)28)13-15-27(6,7)30-25/h8-9,28H,10-15H2,1-7H3
SMILES: Cc1cc(O)c(CCc2c(O)cc(C)c3c2CCC(C)(C)O3)c2c1OC(C)(C)CC2
SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][=N][C][C][C][=C][Branch1][C][O][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch1][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2]
InChI: InChI=1S/C26H34O4/c1-15-13-21(27)17(19-9-11-25(3,4)29-23(15)19)7-8-18-20-10-12-26(5,6)30-24(20)16(2)14-22(18)28/h13-14,27-28H,7-12H2,1-6H3
SMILES: Cc1c(C)c2c(c(Cc3c(O)c(C)c(C)c4c3CCC(C)(C)O4)c1O)CCC(C)(C)O2
SELFIES: [C][C][=C][Branch1][C][C][C][=C][Branch2][Ring2][Branch2][C][Branch2][Ring1][#C][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2][=C][Ring2][Ring1][#Branch1][O][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][O]
InChI: InChI=1S/C27H36O4/c1-14-16(3)24-18(9-11-26(5,6)30-24)20(22(14)28)13-21-19-10-12-27(7,8)31-25(19)17(4)15(2)23(21)29/h28-29H,9-13H2,1-8H3
SMILES: Cc1c(O)c(Cc2c(C)c3c(c(C)c2O)CCC(C)(C)O3)c(C)c2c1CCC(C)(C)O2
SELFIES: [C][C][=C][Branch1][C][O][C][Branch2][Ring1][#C][C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][N][=C][Branch1][C][C][C][=C][Ring2][Ring1][Branch2][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2]
InChI: InChI=1S/C27H36O4/c1-14-18-9-11-26(5,6)30-24(18)16(3)20(22(14)28)13-21-17(4)25-19(15(2)23(21)29)10-12-27(7,8)31-25/h28-29H,9-13H2,1-8H3
SMILES: CC(C=CC1C(C)CCCC1(C)C)=CC=CC1(C)CCc2c(C)c(O)c(C)c(C)c2O1
SELFIES: [C][C][Branch2][Ring1][C][C][=C][C][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][=C][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][O][Ring1][#C]
InChI: InChI=1S/C29H42O2/c1-19(13-14-25-20(2)12-10-16-28(25,6)7)11-9-17-29(8)18-15-24-23(5)26(30)21(3)22(4)27(24)31-29/h9,11,13-14,17,20,25,30H,10,12,15-16,18H2,1-8H3
SMILES: COc1c(C)c(O)c(Cc2c(O)c(C)c(OC)c3c2CCC(C)(C)O3)c2c1OC(C)(C)CC2
SELFIES: [C][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch2][Ring1][S][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2]
InChI: InChI=1S/C27H36O6/c1-14-20(28)18(16-9-11-26(3,4)32-24(16)22(14)30-7)13-19-17-10-12-27(5,6)33-25(17)23(31-8)15(2)21(19)29/h28-29H,9-13H2,1-8H3
SMILES: Cc1c(C)c2c(c(Cc3c(O)c(C)c(C)c4c3CCC(C)(c3ccccc3)O4)c1O)CCC(C)(c1ccccc1)O2
SELFIES: [C][C][=C][Branch1][C][C][C][=C][Branch2][Ring2][#C][C][Branch2][Ring2][=Branch1][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N][=C][Ring2][Ring1][N][O][C][C][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring2][Branch1]
InChI: InChI=1S/C37H40O4/c1-22-24(3)34-28(17-19-36(5,40-34)26-13-9-7-10-14-26)30(32(22)38)21-31-29-18-20-37(6,27-15-11-8-12-16-27)41-35(29)25(4)23(2)33(31)39/h7-16,38-39H,17-21H2,1-6H3
SMILES: Cc1c(C)c2c(c(Cc3c(O)c(C)c(C)c4c3CCC(C)(CCCC(C)C)O4)c1O)CCC(C)(CCCC(C)C)O2
SELFIES: [C][C][=C][Branch1][C][C][C][=C][Branch2][Ring2][#C][C][Branch2][Ring2][=Branch1][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][O][Ring1][=N][=C][Ring2][Ring1][N][O][C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][O][Ring2][Ring2][Branch1]
InChI: InChI=1S/C37H56O4/c1-22(2)13-11-17-36(9)19-15-28-30(32(38)24(5)26(7)34(28)40-36)21-31-29-16-20-37(10,18-12-14-23(3)4)41-35(29)27(8)25(6)33(31)39/h22-23,38-39H,11-21H2,1-10H3
SMILES: Cc1c(O)c(Cc2c(C)c3c(c(C)c2O)CCC(C)(CCCC(C)C)O3)c(C)c2c1CCC(C)(CCCC(C)C)O2
SELFIES: [C][C][=C][Branch1][C][O][C][Branch2][Ring2][=Branch1][C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][O][Ring1][P][=C][Branch1][C][C][C][=C][Ring2][Ring1][=N][C][C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][O][Ring1][=N]
InChI: InChI=1S/C37H56O4/c1-22(2)13-11-17-36(9)19-15-28-24(5)32(38)30(26(7)34(28)40-36)21-31-27(8)35-29(25(6)33(31)39)16-20-37(10,41-35)18-12-14-23(3)4/h22-23,38-39H,11-21H2,1-10H3
SMILES: CCC1(C)CCc2c(Cc3c(O)c(C)c(C)c4c3CCC(C)(CC)O4)c(O)c(C)c(C)c2O1
SELFIES: [C][C][C][Branch1][C][C][C][C][C][=C][Branch2][Ring1][S][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][C][Branch1][C][C][Branch1][Ring1][C][C][O][Ring1][=Branch2][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring2][Ring1][#Branch2][O][Ring2][Ring1][#C]
InChI: InChI=1S/C29H40O4/c1-9-28(7)13-11-20-22(24(30)16(3)18(5)26(20)32-28)15-23-21-12-14-29(8,10-2)33-27(21)19(6)17(4)25(23)31/h30-31H,9-15H2,1-8H3
SMILES: C.C.CC(C)=CCCC1(C)C=Cc2cc(O)c(C)cc2O1
SELFIES: [C].[C].[C][C][Branch1][C][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][Ring1][=N]
InChI: InChI=1S/C17H22O2.2CH4/c1-12(2)6-5-8-17(4)9-7-14-11-15(18)13(3)10-16(14)19-17;;/h6-7,9-11,18H,5,8H2,1-4H3;2*1H4
SMILES: Cc1c(O)cc2c(c1C)OC(C)(C)C2
SELFIES: [C][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2]
InChI: InChI=1S/C12H16O2/c1-7-8(2)11-9(5-10(7)13)6-12(3,4)14-11/h5,13H,6H2,1-4H3
SMILES: Cc1cc2c(C)c(O)c(C)c(C)c2o1
SELFIES: [C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][O][Ring1][=N]
InChI: InChI=1S/C12H14O2/c1-6-5-10-9(4)11(13)7(2)8(3)12(10)14-6/h5,13H,1-4H3
SMILES: Cc1c(C)c2c(c(C)c1O)CCC(C)(C)S2
SELFIES: [C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][Branch1][C][C][Branch1][C][C][S][Ring1][N]
InChI: InChI=1S/C14H20OS/c1-8-9(2)13-11(10(3)12(8)15)6-7-14(4,5)16-13/h15H,6-7H2,1-5H3
SMILES: Oc1ccc2c(c1)CCCS2
SELFIES: [O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][S][Ring1][#Branch1]
InChI: InChI=1S/C9H10OS/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,10H,1-2,5H2
SMILES: Cc1c(C)c2c(c(C)c1O)C(C)(C)CCS2
SELFIES: [C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][S][Ring1][N]
InChI: InChI=1S/C14H20OS/c1-8-9(2)13-11(10(3)12(8)15)14(4,5)6-7-16-13/h15H,6-7H2,1-5H3
SMILES: Cc1c(C)c2c(c(C)c1O)CCCS2
SELFIES: [C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][S][Ring1][#Branch2]
InChI: InChI=1S/C12H16OS/c1-7-8(2)12-10(5-4-6-14-12)9(3)11(7)13/h13H,4-6H2,1-3H3
SMILES: Cc1c(C)c2c(c(C)c1O)CCC(C)S2
SELFIES: [C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][Branch1][C][C][S][Ring1][O]
InChI: InChI=1S/C13H18OS/c1-7-5-6-11-10(4)12(14)8(2)9(3)13(11)15-7/h7,14H,5-6H2,1-4H3
SMILES: Oc1ccc2c(c1Br)CCCS2
SELFIES: [O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][Br][C][C][C][S][Ring1][Branch2]
InChI: InChI=1S/C9H9BrOS/c10-9-6-2-1-5-12-8(6)4-3-7(9)11/h3-4,11H,1-2,5H2
SMILES: COC(=O)C1(C)CCc2c(C)c(O)c(C)c(C)c2S1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][S][Ring1][#C]
InChI: InChI=1S/C15H20O3S/c1-8-9(2)13-11(10(3)12(8)16)6-7-15(4,19-13)14(17)18-5/h16H,6-7H2,1-5H3
SMILES: Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)O)S2
SELFIES: [C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][Ring1][=C]
InChI: InChI=1S/C14H18O3S/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)
SMILES: CC(=O)N1CCCc2c1ccc(O)c2Br
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][Br]
InChI: InChI=1S/C11H12BrNO2/c1-7(14)13-6-2-3-8-9(13)4-5-10(15)11(8)12/h4-5,15H,2-3,6H2,1H3
SMILES: CC(=O)N1CCCc2c(C)c(O)cc(C)c21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][=Branch2][Ring1][=N]
InChI: InChI=1S/C13H17NO2/c1-8-7-12(16)9(2)11-5-4-6-14(10(3)15)13(8)11/h7,16H,4-6H2,1-3H3
SMILES: CC(=O)N1CCCc2cc(O)c(C)c(C)c21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2][Ring1][=N]
InChI: InChI=1S/C13H17NO2/c1-8-9(2)13-11(7-12(8)16)5-4-6-14(13)10(3)15/h7,16H,4-6H2,1-3H3
SMILES: CC(=O)N1CCCc2c(C)c(O)c(C)c(C)c21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][Ring1][=C]
InChI: InChI=1S/C14H19NO2/c1-8-9(2)14(17)10(3)12-6-5-7-15(11(4)16)13(8)12/h17H,5-7H2,1-4H3
SMILES: CN1CCCc2cc(O)c(Br)cc21
SELFIES: [C][N][C][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Ring1][N]
InChI: InChI=1S/C10H12BrNO/c1-12-4-2-3-7-5-10(13)8(11)6-9(7)12/h5-6,13H,2-4H2,1H3
SMILES: CN1CC=Cc2cc(O)ccc21
SELFIES: [C][N][C][C][=C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][O]
InChI: InChI=1S/C10H11NO/c1-11-6-2-3-8-7-9(12)4-5-10(8)11/h2-5,7,12H,6H2,1H3
SMILES: CCN1CCCc2cc(O)ccc21
SELFIES: [C][C][N][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][O]
InChI: InChI=1S/C11H15NO/c1-2-12-7-3-4-9-8-10(13)5-6-11(9)12/h5-6,8,13H,2-4,7H2,1H3
SMILES: Oc1ccc2c(c1)CCCN2
SELFIES: [O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1]
InChI: InChI=1S/C9H11NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h3-4,6,10-11H,1-2,5H2
SMILES: Cc1cc(O)c(C)c2c1NCCC2
SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C11H15NO/c1-7-6-10(13)8(2)9-4-3-5-12-11(7)9/h6,12-13H,3-5H2,1-2H3
SMILES: Cc1c(O)cc2c(c1C)NCCC2
SELFIES: [C][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][C][N][C][C][C][Ring1][Branch2]
InChI: InChI=1S/C11H15NO/c1-7-8(2)11-9(6-10(7)13)4-3-5-12-11/h6,12-13H,3-5H2,1-2H3
SMILES: COc1ccc(CC(=O)N2CCCc3cc(O)c(OC)cc32)cc1O
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][O]
InChI: InChI=1S/C19H21NO5/c1-24-17-6-5-12(8-15(17)21)9-19(23)20-7-3-4-13-10-16(22)18(25-2)11-14(13)20/h5-6,8,10-11,21-22H,3-4,7,9H2,1-2H3
SMILES: COc1ccc(CCN2CCCc3cc(O)c(OC)cc32)cc1O
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][C][C][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][Ring1][=N][C][=C][Ring2][Ring1][Branch1][O]
InChI: InChI=1S/C19H23NO4/c1-23-18-6-5-13(10-16(18)21)7-9-20-8-3-4-14-11-17(22)19(24-2)12-15(14)20/h5-6,10-12,21-22H,3-4,7-9H2,1-2H3
SMILES: CN1CCCc2cc(O)ccc21
SELFIES: [C][N][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][O]
InChI: InChI=1S/C10H13NO/c1-11-6-2-3-8-7-9(12)4-5-10(8)11/h4-5,7,12H,2-3,6H2,1H3
SMILES: Cc1c(C)c2c(c(C)c1O)CCCN2
SELFIES: [C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][C][N][Ring1][#Branch2]
InChI: InChI=1S/C12H17NO/c1-7-8(2)12(14)9(3)10-5-4-6-13-11(7)10/h13-14H,4-6H2,1-3H3
SMILES: CC1=CC(C)(C)Nc2ccc(O)cc21
SELFIES: [C][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][=N]
InChI: InChI=1S/C12H15NO/c1-8-7-12(2,3)13-11-5-4-9(14)6-10(8)11/h4-7,13-14H,1-3H3
SMILES: CC1CCc2cc(O)ccc2N1
SELFIES: [C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][Ring1][O]
InChI: InChI=1S/C10H13NO/c1-7-2-3-8-6-9(12)4-5-10(8)11-7/h4-7,11-12H,2-3H2,1H3
SMILES: CC1CC(C)(C)Nc2ccc(O)cc21
SELFIES: [C][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][=N]
InChI: InChI=1S/C12H17NO/c1-8-7-12(2,3)13-11-5-4-9(14)6-10(8)11/h4-6,8,13-14H,7H2,1-3H3
SMILES: CC(=O)N1CCCc2cc(O)ccc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][O]
InChI: InChI=1S/C11H13NO2/c1-8(13)12-6-2-3-9-7-10(14)4-5-11(9)12/h4-5,7,14H,2-3,6H2,1H3
SMILES: CCN1CCCc2c(C)c(O)c(C)c(C)c21
SELFIES: [C][C][N][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][Ring1][=C]
InChI: InChI=1S/C14H21NO/c1-5-15-8-6-7-12-11(4)14(16)10(3)9(2)13(12)15/h16H,5-8H2,1-4H3
SMILES: C=CCc1cc(O)cc2c1N(C)CCC2
SELFIES: [C][=C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][C][C][Ring1][#Branch1]
InChI: InChI=1S/C13H17NO/c1-3-5-10-8-12(15)9-11-6-4-7-14(2)13(10)11/h3,8-9,15H,1,4-7H2,2H3
SMILES: CC1=CC(C)(C)N(ON2c3ccc(O)cc3C(C)=CC2(C)C)c2ccc(O)cc21
SELFIES: [C][C][=C][C][Branch1][C][C][Branch1][C][C][N][Branch2][Ring1][#Branch2][O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][C][Ring1][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring2][Ring1][N]
InChI: InChI=1S/C24H28N2O3/c1-15-13-23(3,4)25(21-9-7-17(27)11-19(15)21)29-26-22-10-8-18(28)12-20(22)16(2)14-24(26,5)6/h7-14,27-28H,1-6H3
SMILES: CC1CC(C)(C)N(ON2c3ccc(O)cc3C(C)CC2(C)C)c2ccc(O)cc21
SELFIES: [C][C][C][C][Branch1][C][C][Branch1][C][C][N][Branch2][Ring1][#Branch2][O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][C][Ring1][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring2][Ring1][N]
InChI: InChI=1S/C24H32N2O3/c1-15-13-23(3,4)25(21-9-7-17(27)11-19(15)21)29-26-22-10-8-18(28)12-20(22)16(2)14-24(26,5)6/h7-12,15-16,27-28H,13-14H2,1-6H3
SMILES: CCCCCCCCCC(N1CCCc2cc(O)ccc21)N1CCCc2cc(O)ccc21
SELFIES: [C][C][C][C][C][C][C][C][C][C][Branch2][Ring1][C][N][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][O][N][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][O]
InChI: InChI=1S/C28H40N2O2/c1-2-3-4-5-6-7-8-13-28(29-18-9-11-22-20-24(31)14-16-26(22)29)30-19-10-12-23-21-25(32)15-17-27(23)30/h14-17,20-21,28,31-32H,2-13,18-19H2,1H3
SMILES: Oc1ccc(O)c2c1CC=CC2
SELFIES: [O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][=C][C][Ring1][=Branch1]
InChI: InChI=1S/C10H10O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-2,5-6,11-12H,3-4H2
SMILES: CC1=C(C)Cc2c(O)ccc(O)c2C1
SELFIES: [C][C][=C][Branch1][C][C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N]
InChI: InChI=1S/C12H14O2/c1-7-5-9-10(6-8(7)2)12(14)4-3-11(9)13/h3-4,13-14H,5-6H2,1-2H3
SMILES: COc1cc(O)c2c(c1O)CC=CC2
SELFIES: [C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][C][=C][C][Ring1][Branch2]
InChI: InChI=1S/C11H12O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-3,6,12-13H,4-5H2,1H3
SMILES: CC1=CCc2c(O)ccc(O)c2C1
SELFIES: [C][C][=C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][N]
InChI: InChI=1S/C11H12O2/c1-7-2-3-8-9(6-7)11(13)5-4-10(8)12/h2,4-5,12-13H,3,6H2,1H3
SMILES: CC1C=CCc2c(O)ccc(O)c21
SELFIES: [C][C][C][=C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][Ring1][N]
InChI: InChI=1S/C11H12O2/c1-7-3-2-4-8-9(12)5-6-10(13)11(7)8/h2-3,5-7,12-13H,4H2,1H3
SMILES: CCOC1=CCc2c(O)ccc(O)c2C1
SELFIES: [C][C][O][C][=C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][N]
InChI: InChI=1S/C12H14O3/c1-2-15-8-3-4-9-10(7-8)12(14)6-5-11(9)13/h3,5-6,13-14H,2,4,7H2,1H3
SMILES: CC(O)C1=CCc2c(O)ccc(O)c2C1
SELFIES: [C][C][Branch1][C][O][C][=C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][N]
InChI: InChI=1S/C12H14O3/c1-7(13)8-2-3-9-10(6-8)12(15)5-4-11(9)14/h2,4-5,7,13-15H,3,6H2,1H3
SMILES: COc1cc(O)c2c(c1O)CC(C)=C(C)C2
SELFIES: [C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][#Branch2]
InChI: InChI=1S/C13H16O3/c1-7-4-9-10(5-8(7)2)13(15)12(16-3)6-11(9)14/h6,14-15H,4-5H2,1-3H3
SMILES: COc1c(O)c2c(c(O)c1OC)CC(C)=C(C)C2
SELFIES: [C][O][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][O][=C][Ring1][Branch2][O][C][C][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][=N]
InChI: InChI=1S/C14H18O4/c1-7-5-9-10(6-8(7)2)12(16)14(18-4)13(17-3)11(9)15/h15-16H,5-6H2,1-4H3
SMILES: Cc1cc(O)c2c(c1O)CC=CC2
SELFIES: [C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][C][=C][C][Ring1][Branch2]
InChI: InChI=1S/C11H12O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-3,6,12-13H,4-5H2,1H3
SMILES: COC1=CCc2c(O)ccc(O)c2C1
SELFIES: [C][O][C][=C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][N]
InChI: InChI=1S/C11H12O3/c1-14-7-2-3-8-9(6-7)11(13)5-4-10(8)12/h2,4-5,12-13H,3,6H2,1H3
SMILES: Oc1ccc(O)c2c1CC=C(Cl)C2
SELFIES: [O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][=C][Branch1][C][Cl][C][Ring1][#Branch1]
InChI: InChI=1S/C10H9ClO2/c11-6-1-2-7-8(5-6)10(13)4-3-9(7)12/h1,3-4,12-13H,2,5H2
SMILES: CC1=CC(C)c2c(O)ccc(O)c2C1
SELFIES: [C][C][=C][C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N]
InChI: InChI=1S/C12H14O2/c1-7-5-8(2)12-9(6-7)10(13)3-4-11(12)14/h3-5,8,13-14H,6H2,1-2H3
SMILES: CC1C=CC(C)c2c(O)ccc(O)c21
SELFIES: [C][C][C][=C][C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][Ring1][=N]
InChI: InChI=1S/C12H14O2/c1-7-3-4-8(2)12-10(14)6-5-9(13)11(7)12/h3-8,13-14H,1-2H3