EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=C(C)Cc2c(O)c(Cl)cc(O)c2C1
SELFIES: [C][C][=C][Branch1][C][C][C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][C][Branch1][C][O][=C][Ring1][=Branch2][C][Ring1][=C]
InChI: InChI=1S/C12H13ClO2/c1-6-3-8-9(4-7(6)2)12(15)10(13)5-11(8)14/h5,14-15H,3-4H2,1-2H3
SMILES: CC1=C(C)Cc2c(O)c(C)cc(O)c2C1
SELFIES: [C][C][=C][Branch1][C][C][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][C][Branch1][C][O][=C][Ring1][=Branch2][C][Ring1][=C]
InChI: InChI=1S/C13H16O2/c1-7-4-10-11(5-8(7)2)13(15)9(3)6-12(10)14/h6,14-15H,4-5H2,1-3H3
SMILES: NC1CCc2c(O)ccc(O)c2C1
SELFIES: [N][C][C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][N]
InChI: InChI=1S/C10H13NO2/c11-6-1-2-7-8(5-6)10(13)4-3-9(7)12/h3-4,6,12-13H,1-2,5,11H2
SMILES: CN(C)C1CCc2c(O)ccc(O)c2C1
SELFIES: [C][N][Branch1][C][C][C][C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][N]
InChI: InChI=1S/C12H17NO2/c1-13(2)8-3-4-9-10(7-8)12(15)6-5-11(9)14/h5-6,8,14-15H,3-4,7H2,1-2H3
SMILES: C=CC1(C)Cc2c(O)ccc(O)c2CC1C(=C)CO
SELFIES: [C][=C][C][Branch1][C][C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][C][Ring1][=N][C][=Branch1][C][=C][C][O]
InChI: InChI=1S/C16H20O3/c1-4-16(3)8-12-11(7-13(16)10(2)9-17)14(18)5-6-15(12)19/h4-6,13,17-19H,1-2,7-9H2,3H3
SMILES: C=C(C)C1Cc2c(O)ccc(O)c2CC1C
SELFIES: [C][=C][Branch1][C][C][C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][C][Ring1][N][C]
InChI: InChI=1S/C14H18O2/c1-8(2)10-7-12-11(6-9(10)3)13(15)4-5-14(12)16/h4-5,9-10,15-16H,1,6-7H2,2-3H3
SMILES: Oc1ccc(O)c2c1CCCC2
SELFIES: [O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C10H12O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h5-6,11-12H,1-4H2
SMILES: CCCN(CCC)C1CCc2c(O)ccc(O)c2C1
SELFIES: [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][N]
InChI: InChI=1S/C16H25NO2/c1-3-9-17(10-4-2)12-5-6-13-14(11-12)16(19)8-7-15(13)18/h7-8,12,18-19H,3-6,9-11H2,1-2H3
SMILES: CC(C)=CCCC(CO)C1CCC(C)c2c(O)cc(C)c(O)c21
SELFIES: [C][C][Branch1][C][C][=C][C][C][C][Branch1][Ring1][C][O][C][C][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][=Branch2][Ring1][=C]
InChI: InChI=1S/C20H30O3/c1-12(2)6-5-7-15(11-21)16-9-8-13(3)18-17(22)10-14(4)20(23)19(16)18/h6,10,13,15-16,21-23H,5,7-9,11H2,1-4H3
SMILES: CC1CCCc2c(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/C11H14O2/c1-7-3-2-4-8-9(12)5-6-10(13)11(7)8/h5-7,12-13H,2-4H2,1H3
SMILES: Cc1cc(O)c2c(c1O)CCCC2
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/C11H14O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h6,12-13H,2-5H2,1H3
SMILES: Cc1c(C)c(O)c2c(c1O)CCCC2
SELFIES: [C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][=Branch1][Branch1][=C][Ring1][Branch2][O][C][C][C][C][Ring1][Branch2]
InChI: InChI=1S/C12H16O2/c1-7-8(2)12(14)10-6-4-3-5-9(10)11(7)13/h13-14H,3-6H2,1-2H3
SMILES: Oc1ccc2c(c1)OCO2
SELFIES: [O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
InChI: InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
SMILES: COc1cc(O)c(-c2cc3ccccc3o2)c2c1OCO2
SELFIES: [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring1][S][O][C][O][Ring1][Branch1]
InChI: InChI=1S/C16H12O5/c1-18-13-7-10(17)14(16-15(13)19-8-20-16)12-6-9-4-2-3-5-11(9)21-12/h2-7,17H,8H2,1H3
SMILES: COc1c2c(cc(O)c1-c1cc3ccccc3o1)OCO2
SELFIES: [C][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][O][C][O][Ring2][Ring1][C]
InChI: InChI=1S/C16H12O5/c1-18-16-14(10(17)7-13-15(16)20-8-19-13)12-6-9-4-2-3-5-11(9)21-12/h2-7,17H,8H2,1H3
SMILES: CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)OCO2
SELFIES: [C][C][Branch1][C][C][=C][C][C][=C][C][=C][Branch1][#C][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][=C][Ring1][O][O][O][C][O][Ring1][=N]
InChI: InChI=1S/C17H22O3/c1-11(2)5-7-13-9-15-17(20-10-19-15)14(16(13)18)8-6-12(3)4/h5-6,9,18H,7-8,10H2,1-4H3
SMILES: CC(C)C1(C(C)C)Oc2ccc(O)cc2O1
SELFIES: [C][C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][Ring1][=N]
InChI: InChI=1S/C13H18O3/c1-8(2)13(9(3)4)15-11-6-5-10(14)7-12(11)16-13/h5-9,14H,1-4H3
SMILES: Oc1cc2c(cc1C(c1ccc3c(c1)OCO3)N1CCOCC1)OCO2
SELFIES: [O][C][=C][C][=C][Branch2][Ring1][#C][C][=C][Ring1][=Branch1][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][O][C][O][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C19H19NO6/c21-14-9-18-17(25-11-26-18)8-13(14)19(20-3-5-22-6-4-20)12-1-2-15-16(7-12)24-10-23-15/h1-2,7-9,19,21H,3-6,10-11H2
SMILES: Oc1cc2c(cc1C(c1ccc3c(c1)OCO3)N1CCCCC1)OCO2
SELFIES: [O][C][=C][C][=C][Branch2][Ring1][#C][C][=C][Ring1][=Branch1][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][O][C][O][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C20H21NO5/c22-15-10-19-18(25-12-26-19)9-14(15)20(21-6-2-1-3-7-21)13-4-5-16-17(8-13)24-11-23-16/h4-5,8-10,20,22H,1-3,6-7,11-12H2
SMILES: Cc1c(C)c2c(c(Br)c1O)OCO2
SELFIES: [C][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][Br][=C][Ring1][Branch2][O][O][C][O][Ring1][=Branch2]
InChI: InChI=1S/C9H9BrO3/c1-4-5(2)8-9(13-3-12-8)6(10)7(4)11/h11H,3H2,1-2H3
SMILES: Oc1cc2c(cc1C(c1ccc(Cl)cc1)N1CCCCC1)OCO2
SELFIES: [O][C][=C][C][=C][Branch2][Ring1][O][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1][O][C][O][Ring2][Ring1][Branch1]
InChI: InChI=1S/C19H20ClNO3/c20-14-6-4-13(5-7-14)19(21-8-2-1-3-9-21)15-10-17-18(11-16(15)22)24-12-23-17/h4-7,10-11,19,22H,1-3,8-9,12H2
SMILES: CCN(CC)c1ccc(C(c2cc3c(cc2O)OCO3)N2CCOCC2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][N][C][Branch1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C][O][Ring1][Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C22H28N2O4/c1-3-23(4-2)17-7-5-16(6-8-17)22(24-9-11-26-12-10-24)18-13-20-21(14-19(18)25)28-15-27-20/h5-8,13-14,22,25H,3-4,9-12,15H2,1-2H3
SMILES: CCN(CC)c1ccc(C(c2cc3c(cc2O)OCO3)N2CCCCC2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][N][C][Branch1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C][O][Ring1][Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C23H30N2O3/c1-3-24(4-2)18-10-8-17(9-11-18)23(25-12-6-5-7-13-25)19-14-21-22(15-20(19)26)28-16-27-21/h8-11,14-15,23,26H,3-7,12-13,16H2,1-2H3
SMILES: COc1ccc2c(c1)OCC(c1cc3c(cc1O)OCO3)C2
SELFIES: [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Branch1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C][O][Ring1][Branch2][C][Ring1][P]
InChI: InChI=1S/C17H16O5/c1-19-12-3-2-10-4-11(8-20-15(10)5-12)13-6-16-17(7-14(13)18)22-9-21-16/h2-3,5-7,11,18H,4,8-9H2,1H3
SMILES: COc1c(O)cc2c(c1OC)OCO2
SELFIES: [C][O][C][=C][Branch1][C][O][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch1][O][C][O][C][O][Ring1][Branch2]
InChI: InChI=1S/C9H10O5/c1-11-7-5(10)3-6-8(9(7)12-2)14-4-13-6/h3,10H,4H2,1-2H3
SMILES: COc1cccc(C(c2cc3c(cc2O)OCO3)N2CCCCC2)c1OC
SELFIES: [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][Branch1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C][O][Ring1][Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1][O][C]
InChI: InChI=1S/C21H25NO5/c1-24-17-8-6-7-14(21(17)25-2)20(22-9-4-3-5-10-22)15-11-18-19(12-16(15)23)27-13-26-18/h6-8,11-12,20,23H,3-5,9-10,13H2,1-2H3
SMILES: COc1ccc(C(c2cc3c(cc2O)OCO3)N2CCCCC2)cc1OC
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][N][C][Branch1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C][O][Ring1][Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1][O][C]
InChI: InChI=1S/C21H25NO5/c1-24-17-7-6-14(10-18(17)25-2)21(22-8-4-3-5-9-22)15-11-19-20(12-16(15)23)27-13-26-19/h6-7,10-12,21,23H,3-5,8-9,13H2,1-2H3
SMILES: COc1ccc(C(c2cc3c(cc2O)OCO3)N2CCOCC2)c(OC)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][N][C][Branch1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C][O][Ring1][Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H23NO6/c1-23-13-3-4-14(17(9-13)24-2)20(21-5-7-25-8-6-21)15-10-18-19(11-16(15)22)27-12-26-18/h3-4,9-11,20,22H,5-8,12H2,1-2H3
SMILES: CC1(C)Oc2ccc(O)cc2O1
SELFIES: [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][Ring1][O]
InChI: InChI=1S/C9H10O3/c1-9(2)11-7-4-3-6(10)5-8(7)12-9/h3-5,10H,1-2H3
SMILES: Cc1cc(O)cc2c1OC(C)O2
SELFIES: [C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][O][Ring1][=Branch1]
InChI: InChI=1S/C9H10O3/c1-5-3-7(10)4-8-9(5)12-6(2)11-8/h3-4,6,10H,1-2H3
SMILES: Cc1cc(O)c(C)c2c1OCO2
SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch1][C][C][C][=C][Ring1][Branch2][O][C][O][Ring1][Branch1]
InChI: InChI=1S/C9H10O3/c1-5-3-7(10)6(2)9-8(5)11-4-12-9/h3,10H,4H2,1-2H3
SMILES: Cc1c(O)cc2c(c1C)OCO2
SELFIES: [C][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][C][O][C][O][Ring1][#Branch1]
InChI: InChI=1S/C9H10O3/c1-5-6(2)9-8(3-7(5)10)11-4-12-9/h3,10H,4H2,1-2H3
SMILES: C=CC(C)(C)c1cc2c(cc1O)OCO2
SELFIES: [C][=C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C][O][Ring1][Branch2]
InChI: InChI=1S/C12H14O3/c1-4-12(2,3)8-5-10-11(6-9(8)13)15-7-14-10/h4-6,13H,1,7H2,2-3H3
SMILES: CCC1(C)Oc2ccc(O)cc2O1
SELFIES: [C][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][Ring1][O]
InChI: InChI=1S/C10H12O3/c1-3-10(2)12-8-5-4-7(11)6-9(8)13-10/h4-6,11H,3H2,1-2H3
SMILES: COc1c(O)ccc2c1OCO2
SELFIES: [C][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][O][C][O][Ring1][Branch1]
InChI: InChI=1S/C8H8O4/c1-10-7-5(9)2-3-6-8(7)12-4-11-6/h2-3,9H,4H2,1H3
SMILES: COc1cc2c(cc1O)OCO2
SELFIES: [C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C][O][Ring1][Branch2]
InChI: InChI=1S/C8H8O4/c1-10-6-3-8-7(2-5(6)9)11-4-12-8/h2-3,9H,4H2,1H3
SMILES: COc1cc(O)cc2c1OCO2
SELFIES: [C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O][C][O][Ring1][Branch1]
InChI: InChI=1S/C8H8O4/c1-10-6-2-5(9)3-7-8(6)12-4-11-7/h2-3,9H,4H2,1H3
SMILES: CC(C)=CCc1cc2c(cc1O)OCO2
SELFIES: [C][C][Branch1][C][C][=C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C][O][Ring1][Branch2]
InChI: InChI=1S/C12H14O3/c1-8(2)3-4-9-5-11-12(6-10(9)13)15-7-14-11/h3,5-6,13H,4,7H2,1-2H3
SMILES: Cc1c(O)cc(C(C)C)c2c1OCO2
SELFIES: [C][C][=C][Branch1][C][O][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][O][C][O][Ring1][Branch1]
InChI: InChI=1S/C11H14O3/c1-6(2)8-4-9(12)7(3)10-11(8)14-5-13-10/h4,6,12H,5H2,1-3H3
SMILES: CC1(c2ccccc2)Oc2ccc(O)cc2O1
SELFIES: [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][Ring1][S]
InChI: InChI=1S/C14H12O3/c1-14(10-5-3-2-4-6-10)16-12-8-7-11(15)9-13(12)17-14/h2-9,15H,1H3
SMILES: C=CCc1cc2c(cc1O)OCO2
SELFIES: [C][=C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C][O][Ring1][Branch2]
InChI: InChI=1S/C10H10O3/c1-2-3-7-4-9-10(5-8(7)11)13-6-12-9/h2,4-5,11H,1,3,6H2
SMILES: CC=Cc1cc2c(cc1O)OCO2
SELFIES: [C][C][=C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C][O][Ring1][Branch2]
InChI: InChI=1S/C10H10O3/c1-2-3-7-4-9-10(5-8(7)11)13-6-12-9/h2-5,11H,6H2,1H3
SMILES: Oc1cc2c(cc1Cc1ccc3c(c1)OCO3)OCO2
SELFIES: [O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][C][O][Ring1][P]
InChI: InChI=1S/C15H12O5/c16-11-6-15-14(19-8-20-15)5-10(11)3-9-1-2-12-13(4-9)18-7-17-12/h1-2,4-6,16H,3,7-8H2
SMILES: CC(C)(Br)C(Br)Cc1cc2c(cc1O)OCO2
SELFIES: [C][C][Branch1][C][C][Branch1][C][Br][C][Branch1][C][Br][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C][O][Ring1][Branch2]
InChI: InChI=1S/C12H14Br2O3/c1-12(2,14)11(13)4-7-3-9-10(5-8(7)15)17-6-16-9/h3,5,11,15H,4,6H2,1-2H3
SMILES: COC1c2ccccc2OCC1c1cc2c(cc1O)OCO2
SELFIES: [C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C][O][Ring1][Branch2]
InChI: InChI=1S/C17H16O5/c1-19-17-10-4-2-3-5-14(10)20-8-12(17)11-6-15-16(7-13(11)18)22-9-21-15/h2-7,12,17-18H,8-9H2,1H3
SMILES: CCOC1(C)Oc2ccc(O)cc2O1
SELFIES: [C][C][O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][Ring1][O]
InChI: InChI=1S/C10H12O4/c1-3-12-10(2)13-8-5-4-7(11)6-9(8)14-10/h4-6,11H,3H2,1-2H3
SMILES: COc1cc(O)c(C)cc1CCCc1cc2c(cc1O)OCO2
SELFIES: [C][O][C][=C][C][Branch1][C][O][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C][O][Ring1][Branch2]
InChI: InChI=1S/C18H20O5/c1-11-6-13(16(21-2)8-14(11)19)5-3-4-12-7-17-18(9-15(12)20)23-10-22-17/h6-9,19-20H,3-5,10H2,1-2H3
SMILES: C=CCc1c(O)ccc2c1OCO2
SELFIES: [C][=C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][O][C][O][Ring1][Branch1]
InChI: InChI=1S/C10H10O3/c1-2-3-7-8(11)4-5-9-10(7)13-6-12-9/h2,4-5,11H,1,3,6H2
SMILES: Oc1cc2c(cc1CCc1cc3c(cc1O)OCO3)OCO2
SELFIES: [O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C][O][Ring1][Branch2][O][C][O][Ring2][Ring1][Ring1]
InChI: InChI=1S/C16H14O6/c17-11-5-15-13(19-7-21-15)3-9(11)1-2-10-4-14-16(6-12(10)18)22-8-20-14/h3-6,17-18H,1-2,7-8H2
SMILES: Oc1cc2c(cc1Cc1cc3c(cc1O)OCO3)OCO2
SELFIES: [O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][O][C][O][Ring1][Branch2][O][C][O][Ring2][Ring1][C]
InChI: InChI=1S/C15H12O6/c16-10-4-14-12(18-6-20-14)2-8(10)1-9-3-13-15(5-11(9)17)21-7-19-13/h2-5,16-17H,1,6-7H2
SMILES: Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2
SELFIES: [O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][Branch1][C][O][C][Ring1][S]
InChI: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2
SMILES: CCOC(=O)C(=O)c1cc(C)c(O)c(C)c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][=Branch2]
InChI: InChI=1S/C12H14O4/c1-4-16-12(15)11(14)9-5-7(2)10(13)8(3)6-9/h5-6,13H,4H2,1-3H3
SMILES: C=Cc1ccc(S(=O)(=O)Oc2c(C)cc(C(=O)C(=O)OCC)cc2C)cc1
SELFIES: [C][=C][C][=C][C][=C][Branch2][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][=C][Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][C][C][=C][Ring1][=C][C][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H20O6S/c1-5-15-7-9-17(10-8-15)27(23,24)26-19-13(3)11-16(12-14(19)4)18(21)20(22)25-6-2/h5,7-12H,1,6H2,2-4H3
SMILES: C=C(COc1c(C)cc(C(=O)C(=O)OCC)cc1C)C(C)=O
SELFIES: [C][=C][Branch2][Ring1][N][C][O][C][=C][Branch1][C][C][C][=C][Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][C][C][=C][Ring1][=C][C][C][Branch1][C][C][=O]
InChI: InChI=1S/C17H20O5/c1-6-21-17(20)15(19)14-7-10(2)16(11(3)8-14)22-9-12(4)13(5)18/h7-8H,4,6,9H2,1-3,5H3
SMILES: C=Cc1ccc(COc2c(C)cc(C(=O)C(=O)OCC)cc2C)cc1
SELFIES: [C][=C][C][=C][C][=C][Branch2][Ring1][N][C][O][C][=C][Branch1][C][C][C][=C][Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][C][C][=C][Ring1][=C][C][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C21H22O4/c1-5-16-7-9-17(10-8-16)13-25-20-14(3)11-18(12-15(20)4)19(22)21(23)24-6-2/h5,7-12H,1,6,13H2,2-4H3
SMILES: C.Cc1cc([S+](C)C)cc(C)c1O
SELFIES: [C].[C][C][=C][C][Branch1][=Branch1][S+1][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch2][O]
InChI: InChI=1S/C10H14OS.CH4/c1-7-5-9(12(3)4)6-8(2)10(7)11;/h5-6H,1-4H3;1H4/p+1
SMILES: CCCCN(CCCC)c1ccc2c(c1)Oc1cc(C)c(Nc3ccccc3)cc1C21OC(=O)c2ccccc21
SELFIES: [C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][Ring2][Ring1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
InChI: InChI=1S/C35H36N2O3/c1-4-6-19-37(20-7-5-2)26-17-18-29-33(22-26)39-32-21-24(3)31(36-25-13-9-8-10-14-25)23-30(32)35(29)28-16-12-11-15-27(28)34(38)40-35/h8-18,21-23,36H,4-7,19-20H2,1-3H3
SMILES: c1ccc2cc3c(cc2c1)-c1nc-3nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cc5ccccc5cc41)-c1cc4ccccc4cc1-3)c1cc3ccccc3cc21
SELFIES: [C][=C][C][=C][C][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=N][C][Ring1][Branch2][=N][C][NH1][C][Branch2][Branch1][C][N][=C][N][=C][Branch2][Ring1][#Branch2][N][=C][NH1][C][=Branch1][Ring2][=N][Ring1][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][Ring2][Ring1][N][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=Ring2][Ring2][#Branch2][Ring1][#Branch2]
InChI: InChI=1S/C48H26N8/c1-2-10-26-18-34-33(17-25(26)9-1)41-49-42(34)54-44-37-21-29-13-5-6-14-30(29)22-38(37)46(51-44)56-48-40-24-32-16-8-7-15-31(32)23-39(40)47(52-48)55-45-36-20-28-12-4-3-11-27(28)19-35(36)43(50-45)53-41/h1-24H,(H2,49,50,51,52,53,54,55,56)
SMILES: CCN(CCC(C)C)c1ccc2c(c1)Oc1cc(C)c(Nc3ccccc3)cc1C21OC(=O)c2ccccc21
SELFIES: [C][C][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][Ring2][Ring1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
InChI: InChI=1S/C34H34N2O3/c1-5-36(18-17-22(2)3)25-15-16-28-32(20-25)38-31-19-23(4)30(35-24-11-7-6-8-12-24)21-29(31)34(28)27-14-10-9-13-26(27)33(37)39-34/h6-16,19-22,35H,5,17-18H2,1-4H3
SMILES: C.CCCN1/C(=C/C=C2\CCCC(/C=C\C3=[N+](CCC)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21
SELFIES: [C].[C][C][C][N][/C][=Branch2][Ring2][Branch2][=C][/C][=C][\C][C][C][C][Branch2][Ring1][=Branch2][/C][=C][\C][=N+1][Branch1][Ring2][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][Branch1][C][C][C][=C][Ring2][Ring1][=Branch1][Cl][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Ring2]
InChI: InChI=1S/C36H44ClN2.CH4/c1-7-24-38-30-18-11-9-16-28(30)35(3,4)32(38)22-20-26-14-13-15-27(34(26)37)21-23-33-36(5,6)29-17-10-12-19-31(29)39(33)25-8-2;/h9-12,16-23H,7-8,13-15,24-25H2,1-6H3;1H4/q+1;
SMILES: C[N+]12CCCC(CC1)CC2
SELFIES: [C][N+1][C][C][C][C][Branch1][Branch1][C][C][Ring1][#Branch1][C][C][Ring1][=Branch2]
InChI: InChI=1S/C9H18N/c1-10-6-2-3-9(4-7-10)5-8-10/h9H,2-8H2,1H3/q+1
SMILES: CC(Nc1cccc(OCNc2cccc(-n3c(S)nnc3S)c2)c1)C(=O)O
SELFIES: [C][C][Branch2][Ring2][=Branch1][N][C][=C][C][=C][C][Branch2][Ring1][=Branch2][O][C][N][C][=C][C][=C][C][Branch1][N][N][C][Branch1][C][S][=N][N][=C][Ring1][=Branch1][S][=C][Ring1][=N][=C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C18H19N5O3S2/c1-11(16(24)25)20-13-5-3-7-15(9-13)26-10-19-12-4-2-6-14(8-12)23-17(27)21-22-18(23)28/h2-9,11,19-20H,10H2,1H3,(H,21,27)(H,22,28)(H,24,25)
SMILES: NCCCNC(=O)c1ccc(S)cc1
SELFIES: [N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][S][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C10H14N2OS/c11-6-1-7-12-10(13)8-2-4-9(14)5-3-8/h2-5,14H,1,6-7,11H2,(H,12,13)
SMILES: O=C1C=CC(=O)N1c1ccc(Cc2ccc(N3C(=O)C=CC3=O)cc2)cc1
SELFIES: [O][=C][C][=C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C21H14N2O4/c24-18-9-10-19(25)22(18)16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-20(26)11-12-21(23)27/h1-12H,13H2
SMILES: CCc1cc(C)c(N2C(=O)C=CC2=O)c(CC)c1N1C(=O)C=CC1=O
SELFIES: [C][C][C][=C][C][Branch1][C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][Branch1][Ring1][C][C][=C][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O]
InChI: InChI=1S/C19H18N2O4/c1-4-12-10-11(3)18(20-14(22)6-7-15(20)23)13(5-2)19(12)21-16(24)8-9-17(21)25/h6-10H,4-5H2,1-3H3
SMILES: CC1(C)CC(C(C)(C)N2C(=O)C=CC2=O)CCC1N1C(=O)C=CC1=O
SELFIES: [C][C][Branch1][C][C][C][C][Branch2][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][C][C][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O]
InChI: InChI=1S/C19H24N2O4/c1-18(2)11-12(19(3,4)21-16(24)9-10-17(21)25)5-6-13(18)20-14(22)7-8-15(20)23/h7-10,12-13H,5-6,11H2,1-4H3
SMILES: C=C1C=CC(=O)N1Cc1ccc(CN2C(=O)C=CC2=O)cc1
SELFIES: [C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][=N][C][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][=C][Ring1][=C]
InChI: InChI=1S/C17H14N2O3/c1-12-2-7-15(20)18(12)10-13-3-5-14(6-4-13)11-19-16(21)8-9-17(19)22/h2-9H,1,10-11H2
SMILES: CC1CC(C(=O)C2CCC(N3C(=O)C=CC3=O)C(C)C2)CCC1N1C(=O)C=CC1=O
SELFIES: [C][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][C][C][C][C][Branch1][N][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][Branch1][C][C][C][Ring1][=C][C][C][C][Ring2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O]
InChI: InChI=1S/C23H28N2O5/c1-13-11-15(3-5-17(13)24-19(26)7-8-20(24)27)23(30)16-4-6-18(14(2)12-16)25-21(28)9-10-22(25)29/h7-10,13-18H,3-6,11-12H2,1-2H3
SMILES: C=C1C=CC(=O)N1C1CCC(N2C(=O)C=CC2=O)CC1
SELFIES: [C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][Branch1][N][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][C][Ring1][=N]
InChI: InChI=1S/C15H16N2O3/c1-10-2-7-13(18)16(10)11-3-5-12(6-4-11)17-14(19)8-9-15(17)20/h2,7-9,11-12H,1,3-6H2
SMILES: O=C1C=CC(=O)N1C1CCCC(N2C(=O)C=CC2=O)C1
SELFIES: [O][=C][C][=C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][Branch1][N][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][Ring1][=N]
InChI: InChI=1S/C14H14N2O4/c17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20/h4-7,9-10H,1-3,8H2
SMILES: O=C1C=CC(=O)N1C1CCC2CC(N3C(=O)C=CC3=O)CC2C1
SELFIES: [O][=C][C][=C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][C][Branch1][N][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][C][Ring1][N][C][Ring1][S]
InChI: InChI=1S/C17H18N2O4/c20-14-3-4-15(21)18(14)12-2-1-10-7-13(9-11(10)8-12)19-16(22)5-6-17(19)23/h3-6,10-13H,1-2,7-9H2
SMILES: CSc1cc(C)c(N)c(SC)c1N
SELFIES: [C][S][C][=C][C][Branch1][C][C][=C][Branch1][C][N][C][Branch1][Ring1][S][C][=C][Ring1][#Branch2][N]
InChI: InChI=1S/C9H14N2S2/c1-5-4-6(12-2)8(11)9(13-3)7(5)10/h4H,10-11H2,1-3H3
SMILES: CCC(C)Nc1ccc(Cc2ccc(NC(C)CC)cc2)cc1
SELFIES: [C][C][C][Branch1][C][C][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][Branch1][C][C][C][C][C][=C][Ring1][O][C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C21H30N2/c1-5-16(3)22-20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)23-17(4)6-2/h7-14,16-17,22-23H,5-6,15H2,1-4H3
SMILES: CC1CC(CC2CCC(N)C(C)C2)CCC1N
SELFIES: [C][C][C][C][Branch1][S][C][C][C][C][C][Branch1][C][N][C][Branch1][C][C][C][Ring1][Branch2][C][C][C][Ring1][#C][N]
InChI: InChI=1S/C15H30N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h10-15H,3-9,16-17H2,1-2H3
SMILES: CCC(C)NC1CCC(CC2CCC(NC(C)CC)CC2)CC1
SELFIES: [C][C][C][Branch1][C][C][N][C][C][C][C][Branch2][Ring1][Ring1][C][C][C][C][C][Branch1][Branch2][N][C][Branch1][C][C][C][C][C][C][Ring1][O][C][C][Ring2][Ring1][C]
InChI: InChI=1S/C21H42N2/c1-5-16(3)22-20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)23-17(4)6-2/h16-23H,5-15H2,1-4H3
SMILES: CC(C)(N)C1CCC(N)C(C)(C)C1
SELFIES: [C][C][Branch1][C][C][Branch1][C][N][C][C][C][C][Branch1][C][N][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2]
InChI: InChI=1S/C11H24N2/c1-10(2)7-8(11(3,4)13)5-6-9(10)12/h8-9H,5-7,12-13H2,1-4H3