EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1CCC(C(F)(F)Oc2ccc(-c3ccc(F)cc3)c(F)c2)CC1
SELFIES: [C][C][C][C][C][Branch2][Ring1][P][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][=C][C][C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C20H20F4O/c1-13-2-6-15(7-3-13)20(23,24)25-17-10-11-18(19(22)12-17)14-4-8-16(21)9-5-14/h4-5,8-13,15H,2-3,6-7H2,1H3
SMILES: CC1CCC(C(F)(F)Oc2ccc(-c3ccc(F)c(F)c3)cc2)CC1
SELFIES: [C][C][C][C][C][Branch2][Ring1][P][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring1][=C][C][C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C20H20F4O/c1-13-2-7-16(8-3-13)20(23,24)25-17-9-4-14(5-10-17)15-6-11-18(21)19(22)12-15/h4-6,9-13,16H,2-3,7-8H2,1H3
SMILES: CC1CCC(C(F)(F)Oc2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1
SELFIES: [C][C][C][C][C][Branch2][Ring2][Branch1][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][=C][Ring1][#C][C][C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H19F5O/c1-12-2-6-15(7-3-12)20(24,25)26-16-8-4-13(5-9-16)14-10-17(21)19(23)18(22)11-14/h4-5,8-12,15H,2-3,6-7H2,1H3
SMILES: Cc1cc(F)c(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1
SELFIES: [C][C][=C][C][Branch1][C][F][=C][Branch2][Ring2][N][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][Branch1][C][F][=C][Ring2][Ring1][Branch1][C][Branch1][C][F][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C20H9F9O/c1-8-2-11(21)17(12(22)3-8)9-4-13(23)18(14(24)5-9)20(28,29)30-10-6-15(25)19(27)16(26)7-10/h2-7H,1H3
SMILES: Cc1cc(F)c(C#N)c(F)c1
SELFIES: [C][C][=C][C][Branch1][C][F][=C][Branch1][Ring1][C][#N][C][Branch1][C][F][=C][Ring1][#Branch2]
InChI: InChI=1S/C8H5F2N/c1-5-2-7(9)6(4-11)8(10)3-5/h2-3H,1H3
SMILES: CCCC(=O)OC(=O)CN(C)C(=N)N
SELFIES: [C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=N][N]
InChI: InChI=1S/C8H15N3O3/c1-3-4-6(12)14-7(13)5-11(2)8(9)10/h3-5H2,1-2H3,(H3,9,10)
SMILES: CCc1cc(C)cc(C)c1C.Cc1ccc(C)c(C)c1
SELFIES: [C][C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C].[C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2]
InChI: InChI=1S/C11H16.C9H12/c1-5-11-7-8(2)6-9(3)10(11)4;1-7-4-5-8(2)9(3)6-7/h6-7H,5H2,1-4H3;4-6H,1-3H3
SMILES: CC(C)C(=O)OCC(C)(C)C(OC(=O)c1ccccc1C(=O)OCc1ccccc1)C(C)C
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][Branch2][Ring1][N][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C]
InChI: InChI=1S/C27H34O6/c1-18(2)23(27(5,6)17-32-24(28)19(3)4)33-26(30)22-15-11-10-14-21(22)25(29)31-16-20-12-8-7-9-13-20/h7-15,18-19,23H,16-17H2,1-6H3
SMILES: C1C2CC3CC1CC(C2)C3
SELFIES: [C][C][C][C][C][C][Ring1][=Branch1][C][C][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][#Branch1]
InChI: InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2
SMILES: O=C(CO)Nc1cccc(C(=O)NCO)c1
SELFIES: [O][=C][Branch1][Ring1][C][O][N][C][=C][C][=C][C][Branch1][Branch2][C][=Branch1][C][=O][N][C][O][=C][Ring1][O]
InChI: InChI=1S/C10H12N2O4/c13-5-9(15)12-8-3-1-2-7(4-8)10(16)11-6-14/h1-4,13-14H,5-6H2,(H,11,16)(H,12,15)
SMILES: CC(C)CC(C)c1ccccc1NC(=O)c1ccccc1Cl
SELFIES: [C][C][Branch1][C][C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
InChI: InChI=1S/C19H22ClNO/c1-13(2)12-14(3)15-8-5-7-11-18(15)21-19(22)16-9-4-6-10-17(16)20/h4-11,13-14H,12H2,1-3H3,(H,21,22)
SMILES: CC(CC(C)(C)C)c1ccccc1NC(=O)c1ccccc1Br
SELFIES: [C][C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br]
InChI: InChI=1S/C20H24BrNO/c1-14(13-20(2,3)4)15-9-6-8-12-18(15)22-19(23)16-10-5-7-11-17(16)21/h5-12,14H,13H2,1-4H3,(H,22,23)
SMILES: CC(CC(C)(C)C)c1ccccc1NC(=O)c1ccccc1Cl
SELFIES: [C][C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
InChI: InChI=1S/C20H24ClNO/c1-14(13-20(2,3)4)15-9-6-8-12-18(15)22-19(23)16-10-5-7-11-17(16)21/h5-12,14H,13H2,1-4H3,(H,22,23)
SMILES: CCC(C)(C)CC(C)c1ccccc1NC(=O)c1ccccc1C(F)(F)F
SELFIES: [C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]
InChI: InChI=1S/C22H26F3NO/c1-5-21(3,4)14-15(2)16-10-7-9-13-19(16)26-20(27)17-11-6-8-12-18(17)22(23,24)25/h6-13,15H,5,14H2,1-4H3,(H,26,27)
SMILES: CC(CC(C)(C)C)c1ccccc1NC(=O)c1ccccc1C(F)(F)F
SELFIES: [C][C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]
InChI: InChI=1S/C21H24F3NO/c1-14(13-20(2,3)4)15-9-6-8-12-18(15)25-19(26)16-10-5-7-11-17(16)21(22,23)24/h5-12,14H,13H2,1-4H3,(H,25,26)
SMILES: CC(CC(C)(C)C)c1ccccc1NC(=O)c1ccccc1I
SELFIES: [C][C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][I]
InChI: InChI=1S/C20H24INO/c1-14(13-20(2,3)4)15-9-6-8-12-18(15)22-19(23)16-10-5-7-11-17(16)21/h5-12,14H,13H2,1-4H3,(H,22,23)
SMILES: CCC(C)C(=O)C(C)CC
SELFIES: [C][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C][C]
InChI: InChI=1S/C9H18O/c1-5-7(3)9(10)8(4)6-2/h7-8H,5-6H2,1-4H3
SMILES: CC(C)C(=O)C(C)C(C)C
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C][Branch1][C][C][C]
InChI: InChI=1S/C9H18O/c1-6(2)8(5)9(10)7(3)4/h6-8H,1-5H3
SMILES: CCCCC1CCCCO1
SELFIES: [C][C][C][C][C][C][C][C][C][O][Ring1][=Branch1]
InChI: InChI=1S/C9H18O/c1-2-3-6-9-7-4-5-8-10-9/h9H,2-8H2,1H3
SMILES: CCCC(=O)C(CC)CC
SELFIES: [C][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][C]
InChI: InChI=1S/C9H18O/c1-4-7-9(10)8(5-2)6-3/h8H,4-7H2,1-3H3
SMILES: CCCCC(=O)CCCC
SELFIES: [C][C][C][C][C][=Branch1][C][=O][C][C][C][C]
InChI: InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3
SMILES: CCCCCCCCCCC(C)c1cc(C)ccc1C
SELFIES: [C][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C]
InChI: InChI=1S/C20H34/c1-5-6-7-8-9-10-11-12-13-18(3)20-16-17(2)14-15-19(20)4/h14-16,18H,5-13H2,1-4H3
SMILES: C=COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
SELFIES: [C][=C][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]
InChI: InChI=1S/C11H4F16O2/c1-2-29-4(28)6(16,17)8(20,21)10(24,25)11(26,27)9(22,23)7(18,19)5(14,15)3(12)13/h2-3H,1H2
SMILES: C=COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
SELFIES: [C][=C][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]
InChI: InChI=1S/C9H4F12O2/c1-2-23-4(22)6(14,15)8(18,19)9(20,21)7(16,17)5(12,13)3(10)11/h2-3H,1H2
SMILES: C=COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
SELFIES: [C][=C][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]
InChI: InChI=1S/C11H6F16O/c1-2-28-3-5(14,15)7(18,19)9(22,23)11(26,27)10(24,25)8(20,21)6(16,17)4(12)13/h2,4H,1,3H2
SMILES: C=COCC(F)(F)C(F)(F)C(F)(F)C(F)F
SELFIES: [C][=C][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]
InChI: InChI=1S/C7H6F8O/c1-2-16-3-5(10,11)7(14,15)6(12,13)4(8)9/h2,4H,1,3H2
SMILES: C=Cc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1
SELFIES: [C][=C][C][=C][C][=C][Branch2][Ring2][O][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C15H10F12O/c1-2-8-3-5-9(6-4-8)28-7-11(18,19)13(22,23)15(26,27)14(24,25)12(20,21)10(16)17/h2-6,10H,1,7H2
SMILES: C=Cc1cccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1
SELFIES: [C][=C][C][=C][C][=C][C][Branch2][Branch1][=Branch2][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][=C][Ring2][Ring1][S]
InChI: InChI=1S/C17H10F16O/c1-2-8-4-3-5-9(6-8)34-7-11(20,21)13(24,25)15(28,29)17(32,33)16(30,31)14(26,27)12(22,23)10(18)19/h2-6,10H,1,7H2
SMILES: C=Cc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1
SELFIES: [C][=C][C][=C][C][=C][Branch2][Ring2][O][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][Branch2][Branch1][=Branch2][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][=C][Ring2][Branch1][Ring2]
InChI: InChI=1S/C24H12F28O2/c1-2-8-3-4-9(53-6-13(29,30)17(37,38)21(45,46)19(41,42)15(33,34)11(25)26)10(5-8)54-7-14(31,32)18(39,40)22(47,48)24(51,52)23(49,50)20(43,44)16(35,36)12(27)28/h2-5,11-12H,1,6-7H2
SMILES: C=Cc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1
SELFIES: [C][=C][C][=C][C][=C][Branch2][Branch1][=Branch2][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][Branch2][Branch1][=Branch2][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][=C][Ring2][Branch1][#Branch2]
InChI: InChI=1S/C26H12F32O2/c1-2-8-3-4-9(59-6-13(31,32)17(39,40)21(47,48)25(55,56)23(51,52)19(43,44)15(35,36)11(27)28)10(5-8)60-7-14(33,34)18(41,42)22(49,50)26(57,58)24(53,54)20(45,46)16(37,38)12(29)30/h2-5,11-12H,1,6-7H2
SMILES: C.C.CCC(C)C(=O)OCCCOCCCOCCCOCCCOCCCOCCCOCCCOC
SELFIES: [C].[C].[C][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][O][C][C][C][O][C][C][C][O][C][C][C][O][C][C][C][O][C][C][C][O][C][C][C][O][C]
InChI: InChI=1S/C27H54O9.2CH4/c1-4-26(2)27(28)36-25-11-24-35-23-10-22-34-21-9-20-33-19-8-18-32-17-7-16-31-15-6-14-30-13-5-12-29-3;;/h26H,4-25H2,1-3H3;2*1H4
SMILES: C.C.CCC(C)C(=O)OCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCOCCCO
SELFIES: [C].[C].[C][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][O][C][C][C][O][C][C][C][O][C][C][C][O][C][C][C][O][C][C][C][O][C][C][C][O][C][C][C][O][C][C][C][O][C][C][C][O][C][C][C][O][C][C][C][O][C][C][C][O]
InChI: InChI=1S/C44H88O15.2CH4/c1-3-43(2)44(46)59-42-16-41-58-40-15-39-57-38-14-37-56-36-13-35-55-34-12-33-54-32-11-31-53-30-10-29-52-28-9-27-51-26-8-25-50-24-7-23-49-22-6-21-48-20-5-19-47-18-4-17-45;;/h43,45H,3-42H2,1-2H3;2*1H4
SMILES: C.C.CCC(C)C(=O)N1CC1C(F)(F)C(F)(F)C(F)(F)C(F)F
SELFIES: [C].[C].[C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]
InChI: InChI=1S/C11H13F8NO.2CH4/c1-3-5(2)7(21)20-4-6(20)9(14,15)11(18,19)10(16,17)8(12)13;;/h5-6,8H,3-4H2,1-2H3;2*1H4
SMILES: C.C.CCC(C)C(=O)OCCOCCO
SELFIES: [C].[C].[C][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][O][C][C][O]
InChI: InChI=1S/C9H18O4.2CH4/c1-3-8(2)9(11)13-7-6-12-5-4-10;;/h8,10H,3-7H2,1-2H3;2*1H4
SMILES: C.C.CCC(C)C(=O)OCCOCCOCCOCCOC
SELFIES: [C].[C].[C][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][O][C][C][O][C][C][O][C][C][O][C]
InChI: InChI=1S/C14H28O6.2CH4/c1-4-13(2)14(15)20-12-11-19-10-9-18-8-7-17-6-5-16-3;;/h13H,4-12H2,1-3H3;2*1H4
SMILES: C.C.CCC(C)C(=O)OC1CCCCC1
SELFIES: [C].[C].[C][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C11H20O2.2CH4/c1-3-9(2)11(12)13-10-7-5-4-6-8-10;;/h9-10H,3-8H2,1-2H3;2*1H4
SMILES: C.C.CCC(C)C(=O)OC1CCC2CCCCC2C1
SELFIES: [C].[C].[C][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2]
InChI: InChI=1S/C15H26O2.2CH4/c1-3-11(2)15(16)17-14-9-8-12-6-4-5-7-13(12)10-14;;/h11-14H,3-10H2,1-2H3;2*1H4
SMILES: C.C.CCC(C)C(=O)NC1CCCC1
SELFIES: [C].[C].[C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C10H19NO.2CH4/c1-3-8(2)10(12)11-9-6-4-5-7-9;;/h8-9H,3-7H2,1-2H3,(H,11,12);2*1H4
SMILES: C.C.CCC(C)C(=O)NC1CC2CC1C1CCCC21
SELFIES: [C].[C].[C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][C][C][C][Ring1][Branch2][Ring1][Branch1]
InChI: InChI=1S/C15H25NO.2CH4/c1-3-9(2)15(17)16-14-8-10-7-13(14)12-6-4-5-11(10)12;;/h9-14H,3-8H2,1-2H3,(H,16,17);2*1H4
SMILES: C.C.CCC(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
SELFIES: [C].[C].[C][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]
InChI: InChI=1S/C12H12F12O2.2CH4/c1-3-5(2)6(25)26-4-8(15,16)10(19,20)12(23,24)11(21,22)9(17,18)7(13)14;;/h5,7H,3-4H2,1-2H3;2*1H4
SMILES: C.C.CCC(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCO
SELFIES: [C].[C].[C][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O]
InChI: InChI=1S/C21H42O10.2CH4/c1-3-20(2)21(23)31-19-18-30-17-16-29-15-14-28-13-12-27-11-10-26-9-8-25-7-6-24-5-4-22;;/h20,22H,3-19H2,1-2H3;2*1H4
SMILES: CCc1cc(CC)c2sc3ccccc3c(=O)c2c1
SELFIES: [C][C][C][=C][C][Branch1][Ring1][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][O][=C][Ring1][P]
InChI: InChI=1S/C17H16OS/c1-3-11-9-12(4-2)17-14(10-11)16(18)13-7-5-6-8-15(13)19-17/h5-10H,3-4H2,1-2H3
SMILES: CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1
SELFIES: [C][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][P]
InChI: InChI=1S/C15H21NO2S/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h4-7H,8-11H2,1-3H3
SMILES: CCCCN1C(=O)C(=C2C=C(C)C3=CCC(N(CC)CC)C=C3O2)C(=O)N(CCCC)C1=S
SELFIES: [C][C][C][C][N][C][=Branch1][C][=O][C][=Branch2][Ring1][O][=C][C][=C][Branch1][C][C][C][=C][C][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][O][O][Ring1][S][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][Ring2][Ring1][N][=S]
InChI: InChI=1S/C26H37N3O3S/c1-6-10-14-28-24(30)23(25(31)29(26(28)33)15-11-7-2)22-16-18(5)20-13-12-19(17-21(20)32-22)27(8-3)9-4/h13,16-17,19H,6-12,14-15H2,1-5H3
SMILES: C.C.CCCCCCCCC1(CCCCCC)COC1NS(=O)(=O)c1ccc2nc(C)sc2c1
SELFIES: [C].[C].[C][C][C][C][C][C][C][C][C][Branch1][#Branch1][C][C][C][C][C][C][C][O][C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][C][S][C][Ring1][=Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C25H40N2O3S2.2CH4/c1-4-6-8-10-11-13-17-25(16-12-9-7-5-2)19-30-24(25)27-32(28,29)21-14-15-22-23(18-21)31-20(3)26-22;;/h14-15,18,24,27H,4-13,16-17,19H2,1-3H3;2*1H4
SMILES: CCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc2nc(C)sc2c1
SELFIES: [C][C][C][Branch2][Ring1][=C][O][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][Ring1][O][C][Branch1][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][C][C][S][C][Ring1][=Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C28H38N2O2S/c1-9-23(26(31)30-20-13-14-22-25(17-20)33-18(4)29-22)32-24-15-12-19(27(5,6)10-2)16-21(24)28(7,8)11-3/h12-17,23H,9-11H2,1-8H3,(H,30,31)
SMILES: Cc1nc2ccc(C(=O)O)cc2s1
SELFIES: [C][C][=N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][S][Ring1][N]
InChI: InChI=1S/C9H7NO2S/c1-5-10-7-3-2-6(9(11)12)4-8(7)13-5/h2-4H,1H3,(H,11,12)
SMILES: CC1=NC2=CC=C(S(=O)(=O)NC3=CC(C(=O)O[K])=CC(C(=O)O[K])=C3)C=C2S1
SMILES: CNc1nc(C)nc(NC)n1
SELFIES: [C][N][C][=N][C][Branch1][C][C][=N][C][Branch1][Ring1][N][C][=N][Ring1][=Branch2]
InChI: InChI=1S/C6H11N5/c1-4-9-5(7-2)11-6(8-3)10-4/h1-3H3,(H2,7,8,9,10,11)
SMILES: Cc1cc(C#N)c(C#N)cc1C#N
SELFIES: [C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][Ring1][C][#N][C][=C][Ring1][#Branch2][C][#N]
InChI: InChI=1S/C10H5N3/c1-7-2-9(5-12)10(6-13)3-8(7)4-11/h2-3H,1H3
SMILES: Cc1c(Cl)cc([N+](=O)[O-])cc1Cl
SELFIES: [C][C][=C][Branch1][C][Cl][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][Cl]
InChI: InChI=1S/C7H5Cl2NO2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,1H3
SMILES: CCC(C)(C)c1ccc(OCCCNS(=O)(=O)c2ccc3nc(C)sc3c2)c(C(C)(C)CC)c1
SELFIES: [C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][C][S][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C27H38N2O3S2/c1-8-26(4,5)20-11-14-24(22(17-20)27(6,7)9-2)32-16-10-15-28-34(30,31)21-12-13-23-25(18-21)33-19(3)29-23/h11-14,17-18,28H,8-10,15-16H2,1-7H3
SMILES: CCC(C)(C)c1ccc(OCCCN2c3(ccc4c(c3)SC(C)N4)S2(=O)=O)c(C(C)(C)CC)c1
SMILES: CCCCn1c(N=Nc2c(Nc3c(C)cc(C)cc3C)nc(Nc3c(C)cc(C)cc3C)c(C#N)c2C)nc(C#N)c1C#N
SELFIES: [C][C][C][C][N][C][Branch2][Branch1][Branch1][N][=N][C][=C][Branch1][P][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][N][=C][Branch1][P][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][N][C][=N][C][Branch1][Ring1][C][#N][=C][Ring2][Ring2][=Branch1][C][#N]
InChI: InChI=1S/C34H36N10/c1-9-10-11-44-28(18-37)27(17-36)38-34(44)43-42-31-25(8)26(16-35)32(39-29-21(4)12-19(2)13-22(29)5)41-33(31)40-30-23(6)14-20(3)15-24(30)7/h12-15H,9-11H2,1-8H3,(H2,39,40,41)
SMILES: CC(C)OCCCNS(=O)(=O)CCCS(C)(=O)=O
SELFIES: [C][C][Branch1][C][C][O][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O]
InChI: InChI=1S/C10H23NO5S2/c1-10(2)16-7-4-6-11-18(14,15)9-5-8-17(3,12)13/h10-11H,4-9H2,1-3H3
SMILES: CC(CO)NS(=O)(=O)CCCS(C)(=O)=O
SELFIES: [C][C][Branch1][Ring1][C][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O]
InChI: InChI=1S/C7H17NO5S2/c1-7(6-9)8-15(12,13)5-3-4-14(2,10)11/h7-9H,3-6H2,1-2H3
SMILES: CS(=O)(=O)CCCS(=O)(=O)NCC(O)CO
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][O][C][O]
InChI: InChI=1S/C7H17NO6S2/c1-15(11,12)3-2-4-16(13,14)8-5-7(10)6-9/h7-10H,2-6H2,1H3
SMILES: CCC(C)NOC(=O)CCCOC(C)=O
SELFIES: [C][C][C][Branch1][C][C][N][O][C][=Branch1][C][=O][C][C][C][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C10H19NO4/c1-4-8(2)11-15-10(13)6-5-7-14-9(3)12/h8,11H,4-7H2,1-3H3
SMILES: CCCCC(CC)COC(C)=O
SELFIES: [C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3
SMILES: COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O
SELFIES: [C][O][C][=C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][C][C][/C][=C][/C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring1][O]
InChI: InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
SMILES: Cc1nc(-c2ccccc2)ns1
SELFIES: [C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][S][Ring1][O]
InChI: InChI=1S/C9H8N2S/c1-7-10-9(11-12-7)8-5-3-2-4-6-8/h2-6H,1H3
SMILES: Cc1ccc(C#N)c(Cl)c1
SELFIES: [C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][Cl][=C][Ring1][=Branch2]
InChI: InChI=1S/C8H6ClN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3
SMILES: CNc1ccc(S(=O)(=O)[O-])cc1.[NH4+]
SELFIES: [C][N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2].[NH4+1]
InChI: InChI=1S/C7H9NO3S.H3N/c1-8-6-2-4-7(5-3-6)12(9,10)11;/h2-5,8H,1H3,(H,9,10,11);1H3
SMILES: CCCCC(CC)CNS(=O)(=O)c1ccc2nc(C)oc2c1
SELFIES: [C][C][C][C][C][Branch1][Ring1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][C][O][C][Ring1][=Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C16H24N2O3S/c1-4-6-7-13(5-2)11-17-22(19,20)14-8-9-15-16(10-14)21-12(3)18-15/h8-10,13,17H,4-7,11H2,1-3H3
SMILES: CCC(C)(C)c1ccc(OCCCN2c3(ccc4c(c3)SC(C)=N4)S2(=O)=O)c(C(C)(C)CC)c1
SMILES: CCCCC(CC)CNS(=O)(=O)c1cc(NS(C)(=O)=O)ccc1OCCOC
SELFIES: [C][C][C][C][C][Branch1][Ring1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][O][O][C][C][O][C]
InChI: InChI=1S/C18H32N2O6S2/c1-5-7-8-15(6-2)14-19-28(23,24)18-13-16(20-27(4,21)22)9-10-17(18)26-12-11-25-3/h9-10,13,15,19-20H,5-8,11-12,14H2,1-4H3
SMILES: CCOc1cc(N=Nc2c(S(=O)(=O)ON)cc3ccc(N)cc3c2O)c(OCC)cc1N=Nc1cccc([PH](=O)NOON)c1
SELFIES: [C][C][O][C][=C][C][Branch2][Ring1][S][N][=N][C][=C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][N][C][=C][C][=C][C][Branch1][C][N][=C][C][Ring1][#Branch1][=C][Ring1][S][O][=C][Branch1][Ring2][O][C][C][C][=C][Ring2][Ring1][N][N][=N][C][=C][C][=C][C][Branch1][=Branch2][PH1][=Branch1][C][=O][N][O][O][N][=C][Ring1][N]
InChI: InChI=1S/C26H29N8O9PS/c1-3-39-22-14-21(32-33-25-24(45(37,38)42-29)10-15-8-9-16(27)11-19(15)26(25)35)23(40-4-2)13-20(22)31-30-17-6-5-7-18(12-17)44(36)34-43-41-28/h5-14,35,44H,3-4,27-29H2,1-2H3,(H,34,36)
SMILES: CCOc1cc(N=Nc2c(S(=O)(=O)ON)cc3ccc(N)cc3c2O)c(OCC)cc1N=Nc1cccc(C(=O)ON)c1
SELFIES: [C][C][O][C][=C][C][Branch2][Ring1][S][N][=N][C][=C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][N][C][=C][C][=C][C][Branch1][C][N][=C][C][Ring1][#Branch1][=C][Ring1][S][O][=C][Branch1][Ring2][O][C][C][C][=C][Ring2][Ring1][N][N][=N][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][N][=C][Ring1][#Branch2]
InChI: InChI=1S/C27H27N7O8S/c1-3-39-22-14-21(23(40-4-2)13-20(22)32-31-18-7-5-6-16(10-18)27(36)41-29)33-34-25-24(43(37,38)42-30)11-15-8-9-17(28)12-19(15)26(25)35/h5-14,35H,3-4,28-30H2,1-2H3
SMILES: CC(COP=O)CC(C)(C)C
SELFIES: [C][C][Branch1][Branch1][C][O][P][=O][C][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C8H17O2P/c1-7(6-10-11-9)5-8(2,3)4/h7H,5-6H2,1-4H3
SMILES: C[SH](=O)=O.[C-]#[N+]C1=C(C(=O)OC2C(C(C)(C)C)CC(C)CC2C(C)(C)C)c2nc(-c3ccc(C(C)(C)C)cc3)nn2/C1=N/c1ccc(N(CC)C(=C)N)cc1C
SELFIES: [C][SH1][=Branch1][C][=O][=O].[C-1][#N+1][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][O][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][C][Ring1][O][C][Branch1][C][C][Branch1][C][C][C][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=N][N][Ring1][#C][/C][Ring2][Ring2][Ring2][=N][/C][=C][C][=C][Branch1][O][N][Branch1][Ring1][C][C][C][=Branch1][C][=C][N][C][=C][Ring1][N][C]
InChI: InChI=1S/C43H57N7O2.CH4O2S/c1-15-49(27(4)44)30-20-21-33(26(3)24-30)46-39-35(45-14)34(38-47-37(48-50(38)39)28-16-18-29(19-17-28)41(5,6)7)40(51)52-36-31(42(8,9)10)22-25(2)23-32(36)43(11,12)13;1-4(2)3/h16-21,24-25,31-32,36H,4,15,22-23,44H2,1-3,5-13H3;4H,1H3/b46-39+;
SMILES: c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
SELFIES: [C][=C][C][=C][C][=C][C][C][=C][C][=C][C][=C][C][=C][C][Branch1][=N][C][=Branch1][Branch1][=C][Ring2][Ring1][C][C][Ring1][P][=Ring1][=N][=C][Ring1][=Branch2][Ring1][=N]
InChI: InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H