EdisonScientific/glyph-datasets huggingface dataset:
SMILES: Cc1cc(C)cc(N2C(=O)/C(=N\Nc3ccc(C=C4NC(=O)NC4=O)cc3O)c3ccc(C(F)(F)F)cc32)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][#Branch2][=N][\N][C][=C][C][=C][Branch1][=N][C][=C][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][#C][=C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C27H20F3N5O4/c1-13-7-14(2)9-17(8-13)35-21-12-16(27(28,29)30)4-5-18(21)23(25(35)38)34-33-19-6-3-15(11-22(19)36)10-20-24(37)32-26(39)31-20/h3-12,33,36H,1-2H3,(H2,31,32,37,39)/b20-10?,34-23-
SMILES: Cc1ccc(N2C(=O)/C(=N\Nc3ccc(C=C(F)C(=O)O)cc3O)c3ccc(C(F)(F)F)cc32)cc1C
SELFIES: [C][C][=C][C][=C][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][Branch2][=N][\N][C][=C][C][=C][Branch1][O][C][=C][Branch1][C][F][C][=Branch1][C][=O][O][C][=C][Ring1][N][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][=N][C][=C][Ring2][Ring2][Ring1][C]
InChI: InChI=1S/C26H19F4N3O4/c1-13-3-6-17(9-14(13)2)33-21-12-16(26(28,29)30)5-7-18(21)23(24(33)35)32-31-20-8-4-15(11-22(20)34)10-19(27)25(36)37/h3-12,31,34H,1-2H3,(H,36,37)/b19-10?,32-23-
SMILES: COC(Cc1ccc(N/N=C2\C(=O)N(c3cc(C)cc(C)c3)c3cc(C(F)(F)F)ccc32)c(O)c1)C(=O)O
SELFIES: [C][O][C][Branch2][Branch1][=C][C][C][=C][C][=C][Branch2][Ring2][=C][N][/N][=C][\C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch1][C][Branch1][C][O][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H24F3N3O5/c1-14-8-15(2)10-18(9-14)33-21-13-17(27(28,29)30)5-6-19(21)24(25(33)35)32-31-20-7-4-16(11-22(20)34)12-23(38-3)26(36)37/h4-11,13,23,31,34H,12H2,1-3H3,(H,36,37)/b32-24-
SMILES: Cc1cc(C)cc(N2C(=O)/C(=N\Nc3cccc(CCCC(=O)O)c3O)c3ccc(C(F)(F)F)cc32)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][=Branch1][=N][\N][C][=C][C][=C][C][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][=C][Ring1][N][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][=N][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C27H24F3N3O4/c1-15-11-16(2)13-19(12-15)33-22-14-18(27(28,29)30)9-10-20(22)24(26(33)37)32-31-21-7-3-5-17(25(21)36)6-4-8-23(34)35/h3,5,7,9-14,31,36H,4,6,8H2,1-2H3,(H,34,35)/b32-24-
SMILES: Cc1cc(C)cc(N2C(=O)/C(=N\Nc3c(O)cccc3OCCC(=O)O)c3ccc(C(F)(F)F)cc32)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][=Branch1][=N][\N][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][O][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][=N][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C26H22F3N3O5/c1-14-10-15(2)12-17(11-14)32-19-13-16(26(27,28)29)6-7-18(19)23(25(32)36)30-31-24-20(33)4-3-5-21(24)37-9-8-22(34)35/h3-7,10-13,31,33H,8-9H2,1-2H3,(H,34,35)/b30-23-
SMILES: Cc1cc(C)cc(N2C(=O)/C(=N\Nc3ccc(CCCC(=O)O)cc3O)c3ccc(C(F)(F)F)cc32)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][=Branch1][=N][\N][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][N][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][=N][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C27H24F3N3O4/c1-15-10-16(2)12-19(11-15)33-22-14-18(27(28,29)30)7-8-20(22)25(26(33)37)32-31-21-9-6-17(13-23(21)34)4-3-5-24(35)36/h6-14,31,34H,3-5H2,1-2H3,(H,35,36)/b32-25-
SMILES: C.C.C.C.C.CC(=O)NC1CSSCC(C(N)=O)NC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)CNC1=O
SELFIES: [C].[C].[C].[C].[C].[C][C][=Branch1][C][=O][N][C][C][S][S][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][Ring2][Branch1][=N][=O]
InChI: InChI=1S/C38H62N12O14S2.5CH4/c1-17(2)9-22-36(62)44-19(5)33(59)42-12-28(53)41-13-29(54)47-25(32(40)58)15-65-66-16-26(45-20(6)51)34(60)43-14-30(55)46-21(7-8-27(39)52)35(61)48-23(10-18(3)4)37(63)50-24(11-31(56)57)38(64)49-22;;;;;/h17-19,21-26H,7-16H2,1-6H3,(H2,39,52)(H2,40,58)(H,41,53)(H,42,59)(H,43,60)(H,44,62)(H,45,51)(H,46,55)(H,47,54)(H,48,61)(H,49,64)(H,50,63)(H,56,57);5*1H4
SMILES: C.C.C.C.C.CC(=O)NC1CSSCC(C(N)=O)NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)CNC1=O
SELFIES: [C].[C].[C].[C].[C].[C][C][=Branch1][C][=O][N][C][C][S][S][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][Ring2][Branch1][P][=O]
InChI: InChI=1S/C40H65N13O15S2.5CH4/c1-17(2)9-22-38(66)46-19(5)34(62)50-24(11-29(42)56)35(63)44-14-31(58)49-26(33(43)61)15-69-70-16-27(47-20(6)54)36(64)45-13-30(57)48-21(7-8-28(41)55)37(65)51-23(10-18(3)4)39(67)53-25(12-32(59)60)40(68)52-22;;;;;/h17-19,21-27H,7-16H2,1-6H3,(H2,41,55)(H2,42,56)(H2,43,61)(H,44,63)(H,45,64)(H,46,66)(H,47,54)(H,48,57)(H,49,58)(H,50,62)(H,51,65)(H,52,68)(H,53,67)(H,59,60);5*1H4
SMILES: C.C.C.C.C.CC(=O)NC1CSSCC(C(N)=O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)CNC1=O
SELFIES: [C].[C].[C].[C].[C].[C][C][=Branch1][C][=O][N][C][C][S][S][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][Ring2][Branch1][S][=O]
InChI: InChI=1S/C39H62N12O16S2.5CH4/c1-16(2)7-20-36(64)44-18(5)33(61)48-23(10-30(56)57)34(62)42-13-29(55)47-25(32(41)60)14-68-69-15-26(45-19(6)52)35(63)43-12-28(54)46-22(9-27(40)53)38(66)50-21(8-17(3)4)37(65)51-24(11-31(58)59)39(67)49-20;;;;;/h16-18,20-26H,7-15H2,1-6H3,(H2,40,53)(H2,41,60)(H,42,62)(H,43,63)(H,44,64)(H,45,52)(H,46,54)(H,47,55)(H,48,61)(H,49,67)(H,50,66)(H,51,65)(H,56,57)(H,58,59);5*1H4
SMILES: C.C.C.C.CC(C)COc1ccc(C(=O)c2ccc(OCC(C)C)c(/C=C/C(=O)O)c2)c(OCC(C)C)c1
SELFIES: [C].[C].[C].[C].[C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][C][C][C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][=C][Ring1][S][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C28H36O6.4CH4/c1-18(2)15-32-23-9-10-24(26(14-23)34-17-20(5)6)28(31)22-7-11-25(33-16-19(3)4)21(13-22)8-12-27(29)30;;;;/h7-14,18-20H,15-17H2,1-6H3,(H,29,30);4*1H4/b12-8+;;;;
SMILES: C.C.C.C.C.CC(=O)NC1CSSCC(C(N)=O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)CNC1=O
SELFIES: [C].[C].[C].[C].[C].[C][C][=Branch1][C][=O][N][C][C][S][S][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][Ring2][Branch1][S][=O]
InChI: InChI=1S/C41H68N12O14S2.5CH4/c1-18(2)9-23-36(62)44-14-32(57)49-27(13-33(58)59)41(67)53-28(34(43)60)16-68-69-17-29(47-22(8)54)37(63)45-15-31(56)48-26(12-30(42)55)40(66)52-25(11-20(5)6)39(65)51-24(10-19(3)4)38(64)46-21(7)35(61)50-23;;;;;/h18-21,23-29H,9-17H2,1-8H3,(H2,42,55)(H2,43,60)(H,44,62)(H,45,63)(H,46,64)(H,47,54)(H,48,56)(H,49,57)(H,50,61)(H,51,65)(H,52,66)(H,53,67)(H,58,59);5*1H4
SMILES: C.C.C.C.CC(C)COc1ccc(C(=O)c2ccc(OCC(C)C)c(OCC(C)C)c2)cc1CCC(=O)O
SELFIES: [C].[C].[C].[C].[C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][C][C][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][=C][Ring1][S][C][=C][Ring2][Ring1][Branch2][C][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C28H38O6.4CH4/c1-18(2)15-32-24-10-7-22(13-21(24)9-12-27(29)30)28(31)23-8-11-25(33-16-19(3)4)26(14-23)34-17-20(5)6;;;;/h7-8,10-11,13-14,18-20H,9,12,15-17H2,1-6H3,(H,29,30);4*1H4
SMILES: C.C.C.C.CC(C)CCOc1ccc(C(=O)c2cc(C(=O)CC(C)C)cn2CCC(C)C)cc1CCC(=O)O
SELFIES: [C].[C].[C].[C].[C][C][Branch1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][C][=C][C][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][N][Ring1][O][C][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch2][C][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H41NO5.4CH4/c1-19(2)11-13-30-18-24(26(31)15-21(5)6)17-25(30)29(34)23-7-9-27(35-14-12-20(3)4)22(16-23)8-10-28(32)33;;;;/h7,9,16-21H,8,10-15H2,1-6H3,(H,32,33);4*1H4
SMILES: C.C.C.C.CC(C)COc1ccc(C(=O)c2ccc3c(c2)cc(C(=O)O)n3CC(C)C)c(OCC(C)C)c1
SELFIES: [C].[C].[C].[C].[C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Ring1][=Branch2][C][C][Branch1][C][C][C][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C28H35NO5.4CH4/c1-17(2)14-29-24-10-7-20(11-21(24)12-25(29)28(31)32)27(30)23-9-8-22(33-15-18(3)4)13-26(23)34-16-19(5)6;;;;/h7-13,17-19H,14-16H2,1-6H3,(H,31,32);4*1H4
SMILES: C.C.C.C.CC(C)CCOc1ccc(C(=O)c2ccc3c(c2)n(CCC(C)C)c(=O)n3CCC(C)C)cc1CC(=O)O
SELFIES: [C].[C].[C].[C].[C][C][Branch1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][N][C][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][N][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C31H42N2O5.4CH4/c1-20(2)11-14-32-26-9-7-24(18-27(26)33(31(32)37)15-12-21(3)4)30(36)23-8-10-28(38-16-13-22(5)6)25(17-23)19-29(34)35;;;;/h7-10,17-18,20-22H,11-16,19H2,1-6H3,(H,34,35);4*1H4
SMILES: CC(C)COc1ccc(C(=O)c2ccc(OCC(C)C)c(CCC(=O)O)c2)c(O)c1
SELFIES: [C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][C][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=C][Ring1][S][C][Branch1][C][O][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C24H30O6/c1-15(2)13-29-19-7-8-20(21(25)12-19)24(28)18-5-9-22(30-14-16(3)4)17(11-18)6-10-23(26)27/h5,7-9,11-12,15-16,25H,6,10,13-14H2,1-4H3,(H,26,27)
SMILES: CC(C)COc1cc(OCC(C)C)cc(C(=O)c2ccc(OCC(C)C)c(CCC(=O)O)c2)c1
SELFIES: [C][C][Branch1][C][C][C][O][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][C][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=C][Ring1][S][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C28H38O6/c1-18(2)15-32-24-12-23(13-25(14-24)33-16-19(3)4)28(31)22-7-9-26(34-17-20(5)6)21(11-22)8-10-27(29)30/h7,9,11-14,18-20H,8,10,15-17H2,1-6H3,(H,29,30)
SMILES: CN(CCOc1ccc(C[C@H](OCC(F)(F)F)C(=O)O)cc1)c1nc2ccccc2o1
SELFIES: [C][N][Branch2][Ring2][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C@H1][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O][C][=C][Ring1][P][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2]
InChI: InChI=1S/C21H21F3N2O5/c1-26(20-25-16-4-2-3-5-17(16)31-20)10-11-29-15-8-6-14(7-9-15)12-18(19(27)28)30-13-21(22,23)24/h2-9,18H,10-13H2,1H3,(H,27,28)/t18-/m0/s1
SMILES: Cc1ccccc1Nc1nc2ccc(CC(=O)Nc3ccc(C(C)CCC(=O)O)cc3)cc2o1
SELFIES: [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=C][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][C][Branch1][C][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1][O][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C27H27N3O4/c1-17(7-14-26(32)33)20-9-11-21(12-10-20)28-25(31)16-19-8-13-23-24(15-19)34-27(30-23)29-22-6-4-3-5-18(22)2/h3-6,8-13,15,17H,7,14,16H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)
SMILES: CCCCS(=O)(=O)NC(CNC(=O)c1cccc(C(=O)NCCC2CCNCC2)c1)C(=O)O
SELFIES: [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][C][N][C][C][Ring1][=Branch1][=C][Ring1][P][C][=Branch1][C][=O][O]
InChI: InChI=1S/C22H34N4O6S/c1-2-3-13-33(31,32)26-19(22(29)30)15-25-21(28)18-6-4-5-17(14-18)20(27)24-12-9-16-7-10-23-11-8-16/h4-6,14,16,19,23,26H,2-3,7-13,15H2,1H3,(H,24,27)(H,25,28)(H,29,30)
SMILES: CCOC(=O)C(O)Cc1ccc(OCCCCC2CCNCC2)cc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][C][=C][C][=C][Branch1][=C][O][C][C][C][C][C][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][P]
InChI: InChI=1S/C20H31NO4/c1-2-24-20(23)19(22)15-17-6-8-18(9-7-17)25-14-4-3-5-16-10-12-21-13-11-16/h6-9,16,19,21-22H,2-5,10-15H2,1H3
SMILES: CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
SELFIES: [C][C][O][C@@H1][Branch2][Ring2][Ring2][C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1
SMILES: CCOC(=O)CCCOc1cccc(OCc2ccc3ccccc3n2)c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C]
InChI: InChI=1S/C22H23NO4/c1-2-25-22(24)11-6-14-26-19-8-5-9-20(15-19)27-16-18-13-12-17-7-3-4-10-21(17)23-18/h3-5,7-10,12-13,15H,2,6,11,14,16H2,1H3
SMILES: CCOC(Cc1ccc(OC/C=C(\c2ccccc2)c2ccccc2Cl)cc1)C(=O)O
SELFIES: [C][C][O][C][Branch2][Ring2][Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][/C][=C][Branch1][=Branch2][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H25ClO4/c1-2-30-25(26(28)29)18-19-12-14-21(15-13-19)31-17-16-22(20-8-4-3-5-9-20)23-10-6-7-11-24(23)27/h3-16,25H,2,17-18H2,1H3,(H,28,29)/b22-16+
SMILES: CS(=O)(=O)OCCCc1ccc(OS(C)(=O)=O)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O]
InChI: InChI=1S/C11H16O6S2/c1-18(12,13)16-9-3-4-10-5-7-11(8-6-10)17-19(2,14)15/h5-8H,3-4,9H2,1-2H3
SMILES: CS(=O)(=O)OCCCc1cccc(OS(C)(=O)=O)c1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O]
InChI: InChI=1S/C11H16O6S2/c1-18(12,13)16-8-4-6-10-5-3-7-11(9-10)17-19(2,14)15/h3,5,7,9H,4,6,8H2,1-2H3
SMILES: Cc1ccc(S(=O)(=O)OCCCc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C23H24O6S2/c1-18-5-13-22(14-6-18)30(24,25)28-17-3-4-20-9-11-21(12-10-20)29-31(26,27)23-15-7-19(2)8-16-23/h5-16H,3-4,17H2,1-2H3
SMILES: O=[N+]([O-])c1ccc(OCCBr)cc1
SELFIES: [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][Branch1][O][C][C][Br][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C8H8BrNO3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2
SMILES: CCOC(=O)C(Cc1ccc(N)cc1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][O][C][C]
InChI: InChI=1S/C13H19NO3/c1-3-16-12(13(15)17-4-2)9-10-5-7-11(14)8-6-10/h5-8,12H,3-4,9,14H2,1-2H3
SMILES: CCOC(Cc1ccc(N)cc1)C(=O)OC
SELFIES: [C][C][O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C]
InChI: InChI=1S/C12H17NO3/c1-3-16-11(12(14)15-2)8-9-4-6-10(13)7-5-9/h4-7,11H,3,8,13H2,1-2H3
SMILES: CCOC(=O)C(Cc1cccc(N)c1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][O][C][C]
InChI: InChI=1S/C13H19NO3/c1-3-16-12(13(15)17-4-2)9-10-6-5-7-11(14)8-10/h5-8,12H,3-4,9,14H2,1-2H3
SMILES: CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)OC(C)C
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O][C][Branch1][C][C][C]
InChI: InChI=1S/C14H19NO5/c1-4-19-14(16)13(20-10(2)3)9-11-5-7-12(8-6-11)15(17)18/h5-8,10,13H,4,9H2,1-3H3
SMILES: CCOC(=O)C(Cc1ccc(N)cc1)OC(C)C
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][C]
InChI: InChI=1S/C14H21NO3/c1-4-17-14(16)13(18-10(2)3)9-11-5-7-12(15)8-6-11/h5-8,10,13H,4,9,15H2,1-3H3
SMILES: CS(=O)(=O)Oc1ccc(C=O)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2]
InChI: InChI=1S/C8H8O4S/c1-13(10,11)12-8-4-2-7(6-9)3-5-8/h2-6H,1H3
SMILES: OCCc1ccc(O)cc1
SELFIES: [O][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
SMILES: CS(=O)(=O)OCCc1ccc(OS(C)(=O)=O)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O]
InChI: InChI=1S/C10H14O6S2/c1-17(11,12)15-8-7-9-3-5-10(6-4-9)16-18(2,13)14/h3-6H,7-8H2,1-2H3
SMILES: COC(=O)Cc1ccc(OS(C)(=O)=O)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O]
InChI: InChI=1S/C10H12O5S/c1-14-10(11)7-8-3-5-9(6-4-8)15-16(2,12)13/h3-6H,7H2,1-2H3
SMILES: CS(=O)(=O)Oc1ccc(CC(=O)O)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C9H10O5S/c1-15(12,13)14-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
SMILES: COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1
SELFIES: [C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
InChI: InChI=1S/C10H9NO4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-7H,1H3/b7-4+
SMILES: COC(=O)CCc1ccc(N)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C10H13NO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7,11H2,1H3
SMILES: Nc1ccc(CCCO)cc1
SELFIES: [N][C][=C][C][=C][Branch1][Branch1][C][C][C][O][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C9H13NO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7,10H2
SMILES: CC(C)(C)OC(=O)Nc1ccc(CCCO)cc1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch1][C][C][C][O][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12-8-6-11(7-9-12)5-4-10-16/h6-9,16H,4-5,10H2,1-3H3,(H,15,17)
SMILES: CC(C)(C)OC(=O)N(c1ccc(CCCOS(C)(=O)=O)cc1)S(C)(=O)=O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][C][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][=C][S][Branch1][C][C][=Branch1][C][=O][=O]
InChI: InChI=1S/C16H25NO7S2/c1-16(2,3)24-15(18)17(25(4,19)20)14-10-8-13(9-11-14)7-6-12-23-26(5,21)22/h8-11H,6-7,12H2,1-5H3
SMILES: COC(=O)/C=C/c1ccc(O)cc1
SELFIES: [C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+
SMILES: OC/C=C/c1ccc(O)cc1
SELFIES: [O][C][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+
SMILES: CS(=O)(=O)Oc1ccc(/C=C/CCl)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch1][/C][=C][/C][Cl][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C10H11ClO3S/c1-15(12,13)14-10-6-4-9(5-7-10)3-2-8-11/h2-7H,8H2,1H3/b3-2+
SMILES: CS(=O)(=O)Oc1ccc(/C=C/C(=O)O)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][C][=C][Ring1][O]
InChI: InChI=1S/C10H10O5S/c1-16(13,14)15-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
SMILES: CS(=O)(=O)Oc1ccc(CCC(=O)O)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][O]
InChI: InChI=1S/C10H12O5S/c1-16(13,14)15-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)
SMILES: CCOC(=O)C(Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring2][Ring1][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][O][C][C]
InChI: InChI=1S/C27H31NO3/c1-3-30-26(27(29)31-4-2)19-22-15-17-25(18-16-22)28(20-23-11-7-5-8-12-23)21-24-13-9-6-10-14-24/h5-18,26H,3-4,19-21H2,1-2H3
SMILES: CCOC(Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)C(=O)O
SELFIES: [C][C][O][C][Branch2][Ring2][Ring1][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C25H27NO3/c1-2-29-24(25(27)28)17-20-13-15-23(16-14-20)26(18-21-9-5-3-6-10-21)19-22-11-7-4-8-12-22/h3-16,24H,2,17-19H2,1H3,(H,27,28)
SMILES: CCO[C@@H](Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)C(=O)O
SELFIES: [C][C][O][C@@H1][Branch2][Ring2][Ring1][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C25H27NO3/c1-2-29-24(25(27)28)17-20-13-15-23(16-14-20)26(18-21-9-5-3-6-10-21)19-22-11-7-4-8-12-22/h3-16,24H,2,17-19H2,1H3,(H,27,28)/t24-/m0/s1
SMILES: CCO[C@H](Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)C(=O)O
SELFIES: [C][C][O][C@H1][Branch2][Ring2][Ring1][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C25H27NO3/c1-2-29-24(25(27)28)17-20-13-15-23(16-14-20)26(18-21-9-5-3-6-10-21)19-22-11-7-4-8-12-22/h3-16,24H,2,17-19H2,1H3,(H,27,28)/t24-/m1/s1
SMILES: CCOC(=O)[C@H](Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Ring1][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][O][C][C]
InChI: InChI=1S/C27H31NO3/c1-3-30-26(27(29)31-4-2)19-22-15-17-25(18-16-22)28(20-23-11-7-5-8-12-23)21-24-13-9-6-10-14-24/h5-18,26H,3-4,19-21H2,1-2H3/t26-/m0/s1
SMILES: CCOC(=O)[C@@H](Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)OCC
SELFIES: [C][C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][Ring1][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][O][C][C]
InChI: InChI=1S/C27H31NO3/c1-3-30-26(27(29)31-4-2)19-22-15-17-25(18-16-22)28(20-23-11-7-5-8-12-23)21-24-13-9-6-10-14-24/h5-18,26H,3-4,19-21H2,1-2H3/t26-/m1/s1