EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COc1ccccc1NC(=O)C(CO)n1nnc(-c2ccccc2)n1
SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O]
InChI: InChI=1S/C17H17N5O3/c1-25-15-10-6-5-9-13(15)18-17(24)14(11-23)22-20-16(19-21-22)12-7-3-2-4-8-12/h2-10,14,23H,11H2,1H3,(H,18,24)
SMILES: COCC(C(=O)Nc1ccccc1OC)n1nnc(-c2ccccc2)n1
SELFIES: [C][O][C][C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O]
InChI: InChI=1S/C18H19N5O3/c1-25-12-15(18(24)19-14-10-6-7-11-16(14)26-2)23-21-17(20-22-23)13-8-4-3-5-9-13/h3-11,15H,12H2,1-2H3,(H,19,24)
SMILES: C[C@@H]1CC2(N=CCS2)C2(O)O[C@@H]3C[C@]4(C=O)C5CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)[C@@H]5CC[C@H]4C[C@H]3O[C@@H]2O1
SELFIES: [C][C@@H1][C][C][Branch1][#Branch1][N][=C][C][S][Ring1][Branch1][C][Branch1][C][O][O][C@@H1][C][C@][Branch1][Ring1][C][=O][C][C][C][C@][Branch1][C][C][C@@H1][Branch1][O][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C@][Ring1][N][Branch1][C][O][C@@H1][Ring1][P][C][C][C@H1][Ring2][Ring1][#Branch1][C][C@H1][Ring2][Ring1][O][O][C@@H1][Ring2][Ring1][S][O][Ring2][Ring2][Branch2]
InChI: InChI=1S/C31H41NO8S/c1-17-13-30(32-9-10-41-30)31(36)26(38-17)39-23-12-19-3-4-22-21(28(19,16-33)14-24(23)40-31)5-7-27(2)20(6-8-29(22,27)35)18-11-25(34)37-15-18/h9,11,16-17,19-24,26,35-36H,3-8,10,12-15H2,1-2H3/t17-,19+,20-,21?,22-,23-,24-,26+,27-,28-,29+,30?,31?/m1/s1
SMILES: COC12CC3OC4(O)C(OC(C)CC45NC(=O)CS5)OC3CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O
SELFIES: [C][O][C][C][C][O][C][Branch1][C][O][C][Branch2][Ring1][Ring1][O][C][Branch1][C][C][C][C][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][Ring1][=Branch1][O][C][Ring1][P][C][C][Ring2][Ring1][Branch1][C][C][C][C][Ring2][Ring1][=Branch2][C][C][C][Branch1][C][C][C][Branch1][O][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C][Ring1][S][Ring1][N][O]
InChI: InChI=1S/C31H43NO9S/c1-16-12-30(32-24(33)15-42-30)31(36)26(39-16)40-22-11-18-4-5-21-20(28(18,37-3)13-23(22)41-31)6-8-27(2)19(7-9-29(21,27)35)17-10-25(34)38-14-17/h10,16,18-23,26,35-36H,4-9,11-15H2,1-3H3,(H,32,33)
SMILES: CC(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COC(=O)Nc3ccccc3F)C(OC(=O)Nc3ccccc3F)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
SELFIES: [C][C][Branch1][C][C][O][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Branch1][C][O][C@@H1][O][C@H1][Branch1][P][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][S][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][=Branch2][O]
InChI: InChI=1S/C29H36F2N2O13/c1-13(2)42-26-22(37)20(35)24(18(11-34)43-26)45-27-23(38)21(36)25(46-29(40)33-17-10-6-4-8-15(17)31)19(44-27)12-41-28(39)32-16-9-5-3-7-14(16)30/h3-10,13,18-27,34-38H,11-12H2,1-2H3,(H,32,39)(H,33,40)/t18-,19-,20-,21-,22-,23-,24-,25?,26?,27+/m1/s1
SMILES: COc1cc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)cc(C)c1O
SELFIES: [C][O][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][C][Branch1][C][C][=C][Ring2][Ring2][Ring2][O]
InChI: InChI=1S/C32H29F2NO4/c1-19-17-23(18-29(39-2)31(19)37)20-3-5-22(6-4-20)30-27(15-16-28(36)21-7-9-24(33)10-8-21)32(38)35(30)26-13-11-25(34)12-14-26/h3-14,17-18,27-28,30,36-37H,15-16H2,1-2H3/t27-,28+,30-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(OS(=O)(=O)C(F)(F)F)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][Ring1][O][C][=C][C][=C][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=C][N][Ring2][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C25H20F5NO5S/c26-17-5-1-15(2-6-17)22(32)14-13-21-23(31(24(21)33)19-9-7-18(27)8-10-19)16-3-11-20(12-4-16)36-37(34,35)25(28,29)30/h1-12,21-23,32H,13-14H2/t21-,22+,23-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3ccc(O)cc3)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][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][N][Ring2][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C30H25F2NO3/c31-23-9-5-21(6-10-23)28(35)18-17-27-29(33(30(27)36)25-13-11-24(32)12-14-25)22-3-1-19(2-4-22)20-7-15-26(34)16-8-20/h1-16,27-29,34-35H,17-18H2/t27-,28+,29-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3ccccc3)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][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][Ring2][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C30H25F2NO2/c31-24-12-10-22(11-13-24)28(34)19-18-27-29(33(30(27)35)26-16-14-25(32)15-17-26)23-8-6-21(7-9-23)20-4-2-1-3-5-20/h1-17,27-29,34H,18-19H2/t27-,28+,29-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc(O)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][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][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C30H25F2NO3/c31-23-10-8-20(9-11-23)28(35)17-16-27-29(33(30(27)36)25-14-12-24(32)13-15-25)21-6-4-19(5-7-21)22-2-1-3-26(34)18-22/h1-15,18,27-29,34-35H,16-17H2/t27-,28+,29-/m1/s1
SMILES: COc1ccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)cc1
SELFIES: [C][O][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][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C31H27F2NO3/c1-37-27-16-8-21(9-17-27)20-2-4-23(5-3-20)30-28(18-19-29(35)22-6-10-24(32)11-7-22)31(36)34(30)26-14-12-25(33)13-15-26/h2-17,28-30,35H,18-19H2,1H3/t28-,29+,30-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)c(-c3ccccc3)c2)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][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][N][Ring2][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C30H25F2NO3/c31-22-9-6-20(7-10-22)27(34)17-15-25-29(33(30(25)36)24-13-11-23(32)12-14-24)21-8-16-28(35)26(18-21)19-4-2-1-3-5-19/h1-14,16,18,25,27,29,34-35H,15,17H2/t25-,27+,29-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3ccccc3O)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][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][=N][N][Ring2][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C30H25F2NO3/c31-22-11-9-20(10-12-22)27(34)18-17-26-29(33(30(26)36)24-15-13-23(32)14-16-24)21-7-5-19(6-8-21)25-3-1-2-4-28(25)35/h1-16,26-27,29,34-35H,17-18H2/t26-,27+,29-/m1/s1
SMILES: CS(=O)(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][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][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C31H27F2NO4S/c1-39(37,38)27-16-8-21(9-17-27)20-2-4-23(5-3-20)30-28(18-19-29(35)22-6-10-24(32)11-7-22)31(36)34(30)26-14-12-25(33)13-15-26/h2-17,28-30,35H,18-19H2,1H3/t28-,29+,30-/m1/s1
SMILES: COc1cc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)cc(OC)c1OC
SELFIES: [C][O][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][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Branch1][O][C]
InChI: InChI=1S/C33H31F2NO5/c1-39-29-18-23(19-30(40-2)32(29)41-3)20-4-6-22(7-5-20)31-27(16-17-28(37)21-8-10-24(34)11-9-21)33(38)36(31)26-14-12-25(35)13-15-26/h4-15,18-19,27-28,31,37H,16-17H2,1-3H3/t27-,28+,31-/m1/s1
SMILES: CS(=O)(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)c1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][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]
InChI: InChI=1S/C31H27F2NO4S/c1-39(37,38)27-4-2-3-23(19-27)20-5-7-22(8-6-20)30-28(17-18-29(35)21-9-11-24(32)12-10-21)31(36)34(30)26-15-13-25(33)14-16-26/h2-16,19,28-30,35H,17-18H2,1H3/t28-,29+,30-/m1/s1
SMILES: COc1cccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)c1OC
SELFIES: [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][O][C]
InChI: InChI=1S/C32H29F2NO4/c1-38-29-5-3-4-26(31(29)39-2)20-6-8-22(9-7-20)30-27(18-19-28(36)21-10-12-23(33)13-11-21)32(37)35(30)25-16-14-24(34)15-17-25/h3-17,27-28,30,36H,18-19H2,1-2H3/t27-,28+,30-/m1/s1
SMILES: COc1cccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)c1
SELFIES: [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]
InChI: InChI=1S/C31H27F2NO3/c1-37-27-4-2-3-23(19-27)20-5-7-22(8-6-20)30-28(17-18-29(35)21-9-11-24(32)12-10-21)31(36)34(30)26-15-13-25(33)14-16-26/h2-16,19,28-30,35H,17-18H2,1H3/t28-,29+,30-/m1/s1
SMILES: O=Cc1cccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)c1
SELFIES: [O][=C][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]
InChI: InChI=1S/C31H25F2NO3/c32-25-10-8-22(9-11-25)29(36)17-16-28-30(34(31(28)37)27-14-12-26(33)13-15-27)23-6-4-21(5-7-23)24-3-1-2-20(18-24)19-35/h1-15,18-19,28-30,36H,16-17H2/t28-,29+,30-/m1/s1
SMILES: N#Cc1cccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)c1
SELFIES: [N][#C][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]
InChI: InChI=1S/C31H24F2N2O2/c32-25-10-8-22(9-11-25)29(36)17-16-28-30(35(31(28)37)27-14-12-26(33)13-15-27)23-6-4-21(5-7-23)24-3-1-2-20(18-24)19-34/h1-15,18,28-30,36H,16-17H2/t28-,29+,30-/m1/s1
SMILES: CN(C)S(=O)(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)cc1
SELFIES: [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][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][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C32H30F2N2O4S/c1-35(2)41(39,40)28-17-9-22(10-18-28)21-3-5-24(6-4-21)31-29(19-20-30(37)23-7-11-25(33)12-8-23)32(38)36(31)27-15-13-26(34)14-16-27/h3-18,29-31,37H,19-20H2,1-2H3/t29-,30+,31-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc(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][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][C][=C][Ring1][=C][N][Ring2][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C31H27F2NO3/c32-25-10-8-22(9-11-25)29(36)17-16-28-30(34(31(28)37)27-14-12-26(33)13-15-27)23-6-4-21(5-7-23)24-3-1-2-20(18-24)19-35/h1-15,18,28-30,35-36H,16-17,19H2/t28-,29+,30-/m1/s1
SMILES: CN(C)c1ccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)cc1
SELFIES: [C][N][Branch1][C][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][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C32H30F2N2O2/c1-35(2)27-15-9-22(10-16-27)21-3-5-24(6-4-21)31-29(19-20-30(37)23-7-11-25(33)12-8-23)32(38)36(31)28-17-13-26(34)14-18-28/h3-18,29-31,37H,19-20H2,1-2H3/t29-,30+,31-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3ccc(CO)cc3)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][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][=C][Ring1][=C][N][Ring2][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C31H27F2NO3/c32-25-11-9-23(10-12-25)29(36)18-17-28-30(34(31(28)37)27-15-13-26(33)14-16-27)24-7-5-22(6-8-24)21-3-1-20(19-35)2-4-21/h1-16,28-30,35-36H,17-19H2/t28-,29+,30-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cc(O)ccc3Br)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][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Br][C][=C][Ring1][=C][N][Ring2][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C30H24BrF2NO3/c31-27-15-13-24(35)17-26(27)18-1-3-20(4-2-18)29-25(14-16-28(36)19-5-7-21(32)8-6-19)30(37)34(29)23-11-9-22(33)10-12-23/h1-13,15,17,25,28-29,35-36H,14,16H2/t25-,28+,29-/m1/s1
SMILES: O=C(O)[C@@H]1O[C@H](Oc2cccc(-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: [O][=C][Branch1][C][O][C@@H1][O][C@H1][Branch2][=Branch1][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/C36H33F2NO9/c37-23-10-8-20(9-11-23)28(40)17-16-27-29(39(34(27)44)25-14-12-24(38)13-15-25)21-6-4-19(5-7-21)22-2-1-3-26(18-22)47-36-32(43)30(41)31(42)33(48-36)35(45)46/h1-15,18,27-33,36,40-43H,16-17H2,(H,45,46)/t27-,28+,29-,30-,31-,32+,33-,36+/m1/s1
SMILES: O=C(O)c1cccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)c1
SELFIES: [O][=C][Branch1][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]
InChI: InChI=1S/C31H25F2NO4/c32-24-10-8-20(9-11-24)28(35)17-16-27-29(34(30(27)36)26-14-12-25(33)13-15-26)21-6-4-19(5-7-21)22-2-1-3-23(18-22)31(37)38/h1-15,18,27-29,35H,16-17H2,(H,37,38)/t27-,28+,29-/m1/s1
SMILES: O=C(O)c1ccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)cc1
SELFIES: [O][=C][Branch1][C][O][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][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C31H25F2NO4/c32-24-11-9-21(10-12-24)28(35)18-17-27-29(34(30(27)36)26-15-13-25(33)14-16-26)22-5-1-19(2-6-22)20-3-7-23(8-4-20)31(37)38/h1-16,27-29,35H,17-18H2,(H,37,38)/t27-,28+,29-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc([N+](=O)O)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][Ring1][#Branch2][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=C][Ring1][#C][N][Ring2][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C30H25F2N2O4/c31-23-10-8-20(9-11-23)28(35)17-16-27-29(33(30(27)36)25-14-12-24(32)13-15-25)21-6-4-19(5-7-21)22-2-1-3-26(18-22)34(37)38/h1-15,18,27-29,35H,16-17H2,(H,37,38)/q+1/t27-,28+,29-/m1/s1
SMILES: CC(=O)Nc1cccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)c1
SELFIES: [C][C][=Branch1][C][=O][N][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]
InChI: InChI=1S/C32H28F2N2O3/c1-20(37)35-27-4-2-3-24(19-27)21-5-7-23(8-6-21)31-29(17-18-30(38)22-9-11-25(33)12-10-22)32(39)36(31)28-15-13-26(34)14-16-28/h2-16,19,29-31,38H,17-18H2,1H3,(H,35,37)/t29-,30+,31-/m1/s1
SMILES: Nc1ccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)cc1
SELFIES: [N][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][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C30H26F2N2O2/c31-23-9-5-21(6-10-23)28(35)18-17-27-29(34(30(27)36)26-15-11-24(32)12-16-26)22-3-1-19(2-4-22)20-7-13-25(33)14-8-20/h1-16,27-29,35H,17-18,33H2/t27-,28+,29-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc(F)c3F)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][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][=C][Ring1][=C][N][Ring2][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C30H23F4NO2/c31-21-10-8-19(9-11-21)27(36)17-16-25-29(35(30(25)37)23-14-12-22(32)13-15-23)20-6-4-18(5-7-20)24-2-1-3-26(33)28(24)34/h1-15,25,27,29,36H,16-17H2/t25-,27+,29-/m1/s1
SMILES: O=C(CCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1ccc(F)cc1
SELFIES: [O][=C][Branch2][Ring1][O][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][O][C][C@@H1][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C21H20FNO4/c22-17-11-9-16(10-12-17)19(24)7-4-8-20(25)23-18(14-27-21(23)26)13-15-5-2-1-3-6-15/h1-3,5-6,9-12,18H,4,7-8,13-14H2/t18-/m0/s1
SMILES: O=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)OC[C@@H]1Cc1ccccc1
SELFIES: [O][=C][Branch2][Ring1][Ring1][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][C@@H1][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C21H22FNO4/c22-17-11-9-16(10-12-17)19(24)7-4-8-20(25)23-18(14-27-21(23)26)13-15-5-2-1-3-6-15/h1-3,5-6,9-12,18-19,24H,4,7-8,13-14H2/t18-,19-/m0/s1
SMILES: C=CCOc1cc(Br)ccc1/C=N/c1ccccc1
SELFIES: [C][=C][C][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][/C][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C16H14BrNO/c1-2-10-19-16-11-14(17)9-8-13(16)12-18-15-6-4-3-5-7-15/h2-9,11-12H,1,10H2/b18-12+
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3cccc(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][#Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring1][=N][O][N][Ring2][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C30H26FNO4/c31-22-12-9-19(10-13-22)27(34)16-15-26-29(32(30(26)36)23-6-2-1-3-7-23)25-14-11-21(18-28(25)35)20-5-4-8-24(33)17-20/h1-14,17-18,26-27,29,33-35H,15-16H2/t26-,27+,29-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2cccc(Br)c2)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][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C24H20BrF2NO2/c25-17-3-1-2-16(14-17)23-21(12-13-22(29)15-4-6-18(26)7-5-15)24(30)28(23)20-10-8-19(27)9-11-20/h1-11,14,21-23,29H,12-13H2/t21-,22+,23-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2cccc(-c3cccc(O)c3)c2)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][Ring1][=Branch1][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][Ring1][=N][N][Ring2][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C30H25F2NO3/c31-23-9-7-19(8-10-23)28(35)16-15-27-29(33(30(27)36)25-13-11-24(32)12-14-25)22-5-1-3-20(17-22)21-4-2-6-26(34)18-21/h1-14,17-18,27-29,34-35H,15-16H2/t27-,28+,29-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2cccc(-c3ccc(O)cc3)c2)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][Ring1][=Branch1][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring1][=N][N][Ring2][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C30H25F2NO3/c31-23-8-4-20(5-9-23)28(35)17-16-27-29(33(30(27)36)25-12-10-24(32)11-13-25)22-3-1-2-21(18-22)19-6-14-26(34)15-7-19/h1-15,18,27-29,34-35H,16-17H2/t27-,28+,29-/m1/s1
SMILES: O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(Br)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][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C24H21BrFNO2/c25-18-10-6-17(7-11-18)23-21(24(29)27(23)20-4-2-1-3-5-20)14-15-22(28)16-8-12-19(26)13-9-16/h1-13,21-23,28H,14-15H2/t21-,22+,23-/m1/s1