EdisonScientific/glyph-datasets huggingface dataset:
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(Br)cn2)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][N][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C23H20BrFN2O2/c24-16-8-12-20(26-14-16)22-19(23(29)27(22)18-4-2-1-3-5-18)11-13-21(28)15-6-9-17(25)10-7-15/h1-10,12,14,19,21-22,28H,11,13H2/t19-,21+,22+/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(Br)s2)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch1][O][C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1][N][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C22H19BrFNO2S/c23-20-13-12-19(28-20)21-17(22(27)25(21)16-4-2-1-3-5-16)10-11-18(26)14-6-8-15(24)9-7-14/h1-9,12-13,17-18,21,26H,10-11H2/t17-,18+,21+/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc(O)c3)cn2)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=N][Ring1][=N][N][Ring2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C29H25FN2O3/c30-22-12-9-19(10-13-22)27(34)16-14-25-28(32(29(25)35)23-6-2-1-3-7-23)26-15-11-21(18-31-26)20-5-4-8-24(33)17-20/h1-13,15,17-18,25,27-28,33-34H,14,16H2/t25-,27+,28+/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc(O)c3)s2)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][S][Ring1][N][N][Ring2][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C28H24FNO3S/c29-20-11-9-18(10-12-20)24(32)14-13-23-27(30(28(23)33)21-6-2-1-3-7-21)26-16-15-25(34-26)19-5-4-8-22(31)17-19/h1-12,15-17,23-24,27,31-32H,13-14H2/t23-,24+,27+/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3ccc(O)cc3)s2)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][N][N][Ring2][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C28H24FNO3S/c29-20-10-6-18(7-11-20)24(32)15-14-23-27(30(28(23)33)21-4-2-1-3-5-21)26-17-16-25(34-26)19-8-12-22(31)13-9-19/h1-13,16-17,23-24,27,31-32H,14-15H2/t23-,24+,27+/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc(P(=O)(O)O)c3)cc2)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O][=C][Ring1][#Branch2][C][=C][Ring1][S][N][Ring2][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C30H27FNO5P/c31-24-15-13-21(14-16-24)28(33)18-17-27-29(32(30(27)34)25-6-2-1-3-7-25)22-11-9-20(10-12-22)23-5-4-8-26(19-23)38(35,36)37/h1-16,19,27-29,33H,17-18H2,(H2,35,36,37)/t27-,28+,29-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc(O)c3)cc2)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring1][=N][N][Ring2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C30H26FNO3/c31-24-15-13-21(14-16-24)28(34)18-17-27-29(32(30(27)35)25-6-2-1-3-7-25)22-11-9-20(10-12-22)23-5-4-8-26(33)19-23/h1-16,19,27-29,33-34H,17-18H2/t27-,28+,29-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc(OS(=O)(=O)C(F)(F)F)c3)cc2)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][N][Ring2][Ring2][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C31H25F4NO5S/c32-24-15-13-21(14-16-24)28(37)18-17-27-29(36(30(27)38)25-6-2-1-3-7-25)22-11-9-20(10-12-22)23-5-4-8-26(19-23)41-42(39,40)31(33,34)35/h1-16,19,27-29,37H,17-18H2/t27-,28+,29-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc(P(=O)(O)O)c3)cc2O)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O][=C][Ring1][#Branch2][C][=C][Ring1][S][O][N][Ring2][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C30H27FNO6P/c31-22-12-9-19(10-13-22)27(33)16-15-26-29(32(30(26)35)23-6-2-1-3-7-23)25-14-11-21(18-28(25)34)20-5-4-8-24(17-20)39(36,37)38/h1-14,17-18,26-27,29,33-34H,15-16H2,(H2,36,37,38)/t26-,27+,29-/m1/s1
SMILES: CC(=O)OC[C@H]1OC(c2cccc(Br)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
SELFIES: [C][C][=Branch1][C][=O][O][C][C@H1][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][Branch1][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C20H23BrO9/c1-10(22)26-9-16-18(27-11(2)23)20(29-13(4)25)19(28-12(3)24)17(30-16)14-6-5-7-15(21)8-14/h5-8,16-20H,9H2,1-4H3/t16-,17?,18-,19+,20+/m1/s1
SMILES: CC(=O)OC[C@H]1OC(c2ccc(Br)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
SELFIES: [C][C][=Branch1][C][=O][O][C][C@H1][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][Branch1][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C20H23BrO9/c1-10(22)26-9-16-18(27-11(2)23)20(29-13(4)25)19(28-12(3)24)17(30-16)14-5-7-15(21)8-6-14/h5-8,16-20H,9H2,1-4H3/t16-,17?,18-,19+,20+/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc(C4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3)cc2)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][N][Ring2][Ring2][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C36H36FNO7/c37-26-15-13-22(14-16-26)29(40)18-17-28-31(38(36(28)44)27-7-2-1-3-8-27)23-11-9-21(10-12-23)24-5-4-6-25(19-24)35-34(43)33(42)32(41)30(20-39)45-35/h1-16,19,28-35,39-43H,17-18,20H2/t28-,29+,30-,31-,32-,33+,34-,35?/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc(C4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3)cc2O)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring2][N][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][O][N][Ring2][Ring2][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C36H36FNO8/c37-24-12-9-20(10-13-24)28(40)16-15-27-31(38(36(27)45)25-7-2-1-3-8-25)26-14-11-22(18-29(26)41)21-5-4-6-23(17-21)35-34(44)33(43)32(42)30(19-39)46-35/h1-14,17-18,27-28,30-35,39-44H,15-16,19H2/t27-,28+,30-,31-,32-,33+,34-,35?/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3ccc(C4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc2O)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring2][N][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring2][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][O][N][Ring2][Ring2][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C36H36FNO8/c37-24-13-10-21(11-14-24)28(40)17-16-27-31(38(36(27)45)25-4-2-1-3-5-25)26-15-12-23(18-29(26)41)20-6-8-22(9-7-20)35-34(44)33(43)32(42)30(19-39)46-35/h1-15,18,27-28,30-35,39-44H,16-17,19H2/t27-,28+,30-,31-,32-,33+,34-,35?/m1/s1
SMILES: CC1(C)O[C@H]2O[C@H]([C@H](O)[C@H](O)c3cccc(Br)c3)[C@H](O)[C@H]2O1
SELFIES: [C][C][Branch1][C][C][O][C@H1][O][C@H1][Branch2][Ring1][Ring2][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C@H1][Branch1][C][O][C@H1][Ring1][P][O][Ring2][Ring1][Branch1]
InChI: InChI=1S/C15H19BrO6/c1-15(2)21-13-11(19)12(20-14(13)22-15)10(18)9(17)7-4-3-5-8(16)6-7/h3-6,9-14,17-19H,1-2H3/t9-,10-,11+,12-,13-,14-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc([C@H](O)[C@H]4OC(O)[C@H](O)[C@@H](O)[C@@H]4O)c3)cc2)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring2][#C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C@H1][Branch1][C][O][C@H1][O][C][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][N][Ring2][Ring2][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C36H36FNO8/c37-25-15-13-21(14-16-25)28(39)18-17-27-29(38(35(27)44)26-7-2-1-3-8-26)22-11-9-20(10-12-22)23-5-4-6-24(19-23)30(40)34-32(42)31(41)33(43)36(45)46-34/h1-16,19,27-34,36,39-43,45H,17-18H2/t27-,28+,29-,30+,31+,32+,33-,34-,36?/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc([C@@H](O)[C@H]4OC(O)[C@H](O)[C@@H](O)[C@@H]4O)c3)cc2)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring2][#C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C@@H1][Branch1][C][O][C@H1][O][C][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][N][Ring2][Ring2][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C36H36FNO8/c37-25-15-13-21(14-16-25)28(39)18-17-27-29(38(35(27)44)26-7-2-1-3-8-26)22-11-9-20(10-12-22)23-5-4-6-24(19-23)30(40)34-32(42)31(41)33(43)36(45)46-34/h1-16,19,27-34,36,39-43,45H,17-18H2/t27-,28+,29-,30-,31+,32+,33-,34-,36?/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc([C@H](O)[C@H]4OC(O)[C@H](O)[C@@H](O)[C@@H]4O)c3)cc2O)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C@H1][Branch1][C][O][C@H1][O][C][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][O][N][Ring2][Ring2][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C36H36FNO9/c37-23-12-9-19(10-13-23)27(39)16-15-26-29(38(35(26)45)24-7-2-1-3-8-24)25-14-11-21(18-28(25)40)20-5-4-6-22(17-20)30(41)34-32(43)31(42)33(44)36(46)47-34/h1-14,17-18,26-27,29-34,36,39-44,46H,15-16H2/t26-,27+,29-,30+,31+,32+,33-,34-,36?/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc([C@@H](O)[C@H]4OC(O)[C@H](O)[C@@H](O)[C@@H]4O)c3)cc2O)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C@@H1][Branch1][C][O][C@H1][O][C][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][O][N][Ring2][Ring2][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C36H36FNO9/c37-23-12-9-19(10-13-23)27(39)16-15-26-29(38(35(26)45)24-7-2-1-3-8-24)25-14-11-21(18-28(25)40)20-5-4-6-22(17-20)30(41)34-32(43)31(42)33(44)36(46)47-34/h1-14,17-18,26-27,29-34,36,39-44,46H,15-16H2/t26-,27+,29-,30-,31+,32+,33-,34-,36?/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)c3)cc2O)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][O][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][O][N][Ring2][Ring2][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C36H38FNO9/c37-24-12-9-20(10-13-24)28(40)16-15-27-31(38(36(27)47)25-7-2-1-3-8-25)26-14-11-22(18-29(26)41)21-5-4-6-23(17-21)32(43)34(45)35(46)33(44)30(42)19-39/h1-14,17-18,27-28,30-35,39-46H,15-16,19H2/t27-,28+,30+,31-,32+,33-,34-,35+/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc(OC[C@H]4OC(O)[C@H](O)[C@@H](O)[C@@H]4O)c3)cc2)N1c1ccc(F)cc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring2][=N][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][C@H1][O][C][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][N][Ring2][Ring2][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C36H35F2NO8/c37-24-10-8-21(9-11-24)29(40)17-16-28-31(39(35(28)44)26-14-12-25(38)13-15-26)22-6-4-20(5-7-22)23-2-1-3-27(18-23)46-19-30-32(41)33(42)34(43)36(45)47-30/h1-15,18,28-34,36,40-43,45H,16-17,19H2/t28-,29+,30-,31-,32-,33+,34-,36?/m1/s1
SMILES: CO[C@H]1O[C@H](COc2cccc(-c3ccc([C@@H]4[C@@H](CC[C@H](O)c5ccc(F)cc5)C(=O)N4c4ccc(F)cc4)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O
SELFIES: [C][O][C@H1][O][C@H1][Branch2][=Branch1][Ring1][C][O][C][=C][C][=C][C][Branch2][Branch1][Branch1][C][=C][C][=C][Branch2][Ring2][=Branch2][C@@H1][C@@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=N][=C][Ring2][Ring2][Ring1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][=N][O]
InChI: InChI=1S/C37H37F2NO8/c1-46-37-35(44)34(43)33(42)31(48-37)20-47-28-4-2-3-24(19-28)21-5-7-23(8-6-21)32-29(17-18-30(41)22-9-11-25(38)12-10-22)36(45)40(32)27-15-13-26(39)14-16-27/h2-16,19,29-35,37,41-44H,17-18,20H2,1H3/t29-,30+,31-,32-,33-,34+,35-,37+/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)c3)cc2)N1c1ccc(F)cc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring2][=N][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][O][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][N][Ring2][Ring2][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C36H37F2NO8/c37-25-10-8-22(9-11-25)30(41)17-16-29-33(39(36(29)46)27-14-12-26(38)13-15-27)23-6-4-21(5-7-23)24-2-1-3-28(18-24)47-20-32(43)35(45)34(44)31(42)19-40/h1-15,18,29-35,40-45H,16-17,19-20H2/t29-,30+,31+,32-,33-,34-,35-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3ccc(P(=O)(O)O)cc3)cc2O)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][#Branch2][C][=C][Ring1][S][O][N][Ring2][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C30H27FNO6P/c31-22-11-6-20(7-12-22)27(33)17-16-26-29(32(30(26)35)23-4-2-1-3-5-23)25-15-10-21(18-28(25)34)19-8-13-24(14-9-19)39(36,37)38/h1-15,18,26-27,29,33-34H,16-17H2,(H2,36,37,38)/t26-,27+,29-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3ccc(S(=O)(=O)[O-])cc3)cc2O)N1c1ccccc1.[Na+]
SELFIES: [O][=C][C@H1][Branch2][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][C][=C][Ring1][S][O][N][Ring2][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1].[Na+1]
InChI: InChI=1S/C30H26FNO6S.Na/c31-22-11-6-20(7-12-22)27(33)17-16-26-29(32(30(26)35)23-4-2-1-3-5-23)25-15-10-21(18-28(25)34)19-8-13-24(14-9-19)39(36,37)38;/h1-15,18,26-27,29,33-34H,16-17H2,(H,36,37,38);/q;+1/p-1/t26-,27+,29-;/m1./s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccccc2F)[C@@H](c2ccc(-c3ccccc3O)cc2O)N1c1ccccc1
SELFIES: [O][=C][C@H1][Branch1][S][C][C][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C@@H1][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][=N][O][N][Ring2][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C30H26FNO4/c31-25-12-6-4-11-22(25)27(34)17-16-24-29(32(30(24)36)20-8-2-1-3-9-20)23-15-14-19(18-28(23)35)21-10-5-7-13-26(21)33/h1-15,18,24,27,29,33-35H,16-17H2/t24-,27+,29-/m1/s1
SMILES: Cc1ccc(C(O)CCC2C(=O)N(c3ccc(F)cc3)C2c2ccc(-c3cccc(O)c3)cc2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Branch1][C][C][Branch1][C][O][C][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][N][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C31H28FNO3/c1-20-5-7-22(8-6-20)29(35)18-17-28-30(33(31(28)36)26-15-13-25(32)14-16-26)23-11-9-21(10-12-23)24-3-2-4-27(34)19-24/h2-16,19,28-30,34-35H,17-18H2,1H3
SMILES: Cl[C@@H]1CCCN(CCc2cccnc2)C1
SELFIES: [Cl][C@@H1][C][C][C][N][Branch1][O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=C]
InChI: InChI=1S/C12H17ClN2/c13-12-4-2-7-15(10-12)8-5-11-3-1-6-14-9-11/h1,3,6,9,12H,2,4-5,7-8,10H2/t12-/m1/s1
SMILES: Fc1ccc2c(c1)COc1ccccc1N2CC1CCCN1CCc1cccnc1
SELFIES: [F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C][C][C][C][C][N][Ring1][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1]
InChI: InChI=1S/C25H26FN3O/c26-21-9-10-23-20(15-21)18-30-25-8-2-1-7-24(25)29(23)17-22-6-4-13-28(22)14-11-19-5-3-12-27-16-19/h1-3,5,7-10,12,15-16,22H,4,6,11,13-14,17-18H2
SMILES: Cl[C@@H]1CCCN(CCc2cncnc2)C1
SELFIES: [Cl][C@@H1][C][C][C][N][Branch1][O][C][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=C]
InChI: InChI=1S/C11H16ClN3/c12-11-2-1-4-15(8-11)5-3-10-6-13-9-14-7-10/h6-7,9,11H,1-5,8H2/t11-/m1/s1
SMILES: Clc1ccc2c(c1)N(CC1CCCN1CCc1cncnc1)c1ccccc1OC2
SELFIES: [Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch2][Ring1][Ring1][C][C][C][C][C][N][Ring1][Branch1][C][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C24H25ClN4O/c25-20-8-7-19-16-30-24-6-2-1-5-22(24)29(23(19)12-20)15-21-4-3-10-28(21)11-9-18-13-26-17-27-14-18/h1-2,5-8,12-14,17,21H,3-4,9-11,15-16H2
SMILES: Cl[C@@H]1CCCN(CCc2cnc(N3CCCC3)cn2)C1
SELFIES: [Cl][C@@H1][C][C][C][N][Branch2][Ring1][Ring2][C][C][C][=C][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=N][Ring1][O][C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C15H23ClN4/c16-13-4-3-6-19(12-13)9-5-14-10-18-15(11-17-14)20-7-1-2-8-20/h10-11,13H,1-9,12H2/t13-/m1/s1
SMILES: c1ccc2c(c1)COc1cccnc1N2CC1CCCN1CCc1cnc(N2CCCC2)cn1
SELFIES: [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][N][C][C][C][C][C][N][Ring1][Branch1][C][C][C][=C][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=N][Ring1][O]
InChI: InChI=1S/C27H32N6O/c1-2-9-24-21(7-1)20-34-25-10-5-12-28-27(25)33(24)19-23-8-6-15-31(23)16-11-22-17-30-26(18-29-22)32-13-3-4-14-32/h1-2,5,7,9-10,12,17-18,23H,3-4,6,8,11,13-16,19-20H2
SMILES: COc1ccc(CCN2CCC[C@@H](Cl)C2)nn1
SELFIES: [C][O][C][=C][C][=C][Branch1][=C][C][C][N][C][C][C][C@@H1][Branch1][C][Cl][C][Ring1][#Branch1][N][=N][Ring1][#C]
InChI: InChI=1S/C12H18ClN3O/c1-17-12-5-4-11(14-15-12)6-8-16-7-2-3-10(13)9-16/h4-5,10H,2-3,6-9H2,1H3/t10-/m1/s1
SMILES: COc1ccc(CCN2CCCC2CN2c3ccc(F)cc3OCc3cccnc32)nn1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][N][C][C][C][C][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][S][N][=N][Ring2][Ring1][=C]
InChI: InChI=1S/C24H26FN5O2/c1-31-23-9-7-19(27-28-23)10-13-29-12-3-5-20(29)15-30-21-8-6-18(25)14-22(21)32-16-17-4-2-11-26-24(17)30/h2,4,6-9,11,14,20H,3,5,10,12-13,15-16H2,1H3
SMILES: COc1ccc(CCN2CCC[C@@H](Cl)C2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch1][=C][C][C][N][C][C][C][C@@H1][Branch1][C][Cl][C][Ring1][#Branch1][C][=C][Ring1][#C]
InChI: InChI=1S/C14H20ClNO/c1-17-14-6-4-12(5-7-14)8-10-16-9-2-3-13(15)11-16/h4-7,13H,2-3,8-11H2,1H3/t13-/m1/s1
SMILES: COc1ccc(CCN2CCCC2CN2c3cc(Cl)ccc3COc3cccnc32)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][N][C][C][C][C][Ring1][Branch1][C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][S][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C26H28ClN3O2/c1-31-23-10-6-19(7-11-23)12-15-29-14-3-4-22(29)17-30-24-16-21(27)9-8-20(24)18-32-25-5-2-13-28-26(25)30/h2,5-11,13,16,22H,3-4,12,14-15,17-18H2,1H3
SMILES: CN(C)c1ccc(CCN2CCC[C@@H](Cl)C2)cc1
SELFIES: [C][N][Branch1][C][C][C][=C][C][=C][Branch1][=C][C][C][N][C][C][C][C@@H1][Branch1][C][Cl][C][Ring1][#Branch1][C][=C][Ring1][#C]
InChI: InChI=1S/C15H23ClN2/c1-17(2)15-7-5-13(6-8-15)9-11-18-10-3-4-14(16)12-18/h5-8,14H,3-4,9-12H2,1-2H3/t14-/m1/s1
SMILES: CN(C)c1ccc(CCN2CCCC2CN2c3ccccc3OCc3ncc(Cl)cc32)cc1
SELFIES: [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][N][C][C][C][C][Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][S][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C27H31ClN4O/c1-30(2)22-11-9-20(10-12-22)13-15-31-14-5-6-23(31)18-32-25-7-3-4-8-27(25)33-19-24-26(32)16-21(28)17-29-24/h3-4,7-12,16-17,23H,5-6,13-15,18-19H2,1-2H3
SMILES: CS(=O)(=O)O[C@H]1CCN(CCc2cccnc2)C1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][C][C][N][Branch1][O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N]
InChI: InChI=1S/C12H18N2O3S/c1-18(15,16)17-12-5-8-14(10-12)7-4-11-3-2-6-13-9-11/h2-3,6,9,12H,4-5,7-8,10H2,1H3/t12-/m0/s1
SMILES: Fc1ccc2c(c1)COc1ccccc1N2[C@@H]1CCN(CCc2cccnc2)C1
SELFIES: [F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C@@H1][C][C][N][Branch1][O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N]
InChI: InChI=1S/C24H24FN3O/c25-20-7-8-22-19(14-20)17-29-24-6-2-1-5-23(24)28(22)21-10-13-27(16-21)12-9-18-4-3-11-26-15-18/h1-8,11,14-15,21H,9-10,12-13,16-17H2/t21-/m1/s1
SMILES: Clc1ccc2c(c1)OCc1ccccc1N2
SELFIES: [Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N]
InChI: InChI=1S/C13H10ClNO/c14-10-5-6-12-13(7-10)16-8-9-3-1-2-4-11(9)15-12/h1-7,15H,8H2
SMILES: CS(=O)(=O)O[C@H]1CCN(CCc2cncnc2)C1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][C][C][N][Branch1][O][C][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=N]
InChI: InChI=1S/C11H17N3O3S/c1-18(15,16)17-11-3-5-14(8-11)4-2-10-6-12-9-13-7-10/h6-7,9,11H,2-5,8H2,1H3/t11-/m0/s1