EdisonScientific/glyph-datasets huggingface dataset:
SMILES: Cc1ccc(-c2nc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)no2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Branch1][N][C][=N][C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][S][C][=C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C29H28F3N3O4/c1-19-4-10-22(11-5-19)25-33-27(34-39-25)35(18-21-6-12-23(13-7-21)29(30,31)32)17-16-20-8-14-24(15-9-20)38-28(2,3)26(36)37/h4-15H,16-18H2,1-3H3,(H,36,37)
SMILES: Cc1cccc(-c2nc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)no2)c1
SELFIES: [C][C][=C][C][=C][C][Branch2][Branch1][N][C][=N][C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][S][=C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C29H28F3N3O4/c1-19-5-4-6-22(17-19)25-33-27(34-39-25)35(18-21-7-11-23(12-8-21)29(30,31)32)16-15-20-9-13-24(14-10-20)38-28(2,3)26(36)37/h4-14,17H,15-16,18H2,1-3H3,(H,36,37)
SMILES: CC(C)CCc1nc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)no1
SELFIES: [C][C][Branch1][C][C][C][C][C][=N][C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][S]
InChI: InChI=1S/C27H32F3N3O4/c1-18(2)5-14-23-31-25(32-37-23)33(17-20-6-10-21(11-7-20)27(28,29)30)16-15-19-8-12-22(13-9-19)36-26(3,4)24(34)35/h6-13,18H,5,14-17H2,1-4H3,(H,34,35)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(CC3CCCC3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][Branch2][O][C][=C][C][=C][Branch2][Ring2][O][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C28H32F3N3O4/c1-27(2,25(35)36)37-23-13-9-19(10-14-23)15-16-34(18-21-7-11-22(12-8-21)28(29,30)31)26-32-24(38-33-26)17-20-5-3-4-6-20/h7-14,20H,3-6,15-18H2,1-2H3,(H,35,36)
SMILES: CCCc1nc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)no1
SELFIES: [C][C][C][C][=N][C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][S]
InChI: InChI=1S/C25H28F3N3O4/c1-4-5-21-29-23(30-35-21)31(16-18-6-10-19(11-7-18)25(26,27)28)15-14-17-8-12-20(13-9-17)34-24(2,3)22(32)33/h6-13H,4-5,14-16H2,1-3H3,(H,32,33)
SMILES: Cc1ccccc1-c1nc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)no1
SELFIES: [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][S]
InChI: InChI=1S/C29H28F3N3O4/c1-19-6-4-5-7-24(19)25-33-27(34-39-25)35(18-21-8-12-22(13-9-21)29(30,31)32)17-16-20-10-14-23(15-11-20)38-28(2,3)26(36)37/h4-15H,16-18H2,1-3H3,(H,36,37)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(C(F)(F)F)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][Branch2][O][C][=C][C][=C][Branch2][Ring2][O][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][O]
InChI: InChI=1S/C23H21F6N3O4/c1-21(2,19(33)34)35-17-9-5-14(6-10-17)11-12-32(20-30-18(36-31-20)23(27,28)29)13-15-3-7-16(8-4-15)22(24,25)26/h3-10H,11-13H2,1-2H3,(H,33,34)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(CCC(F)(F)F)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][#Branch2][O][C][=C][C][=C][Branch2][Ring2][=N][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][O][C][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C25H25F6N3O4/c1-23(2,21(35)36)37-19-9-5-16(6-10-19)12-14-34(15-17-3-7-18(8-4-17)25(29,30)31)22-32-20(38-33-22)11-13-24(26,27)28/h3-10H,11-15H2,1-2H3,(H,35,36)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(C3CCOC3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][#Branch1][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H28F3N3O5/c1-25(2,23(33)34)36-21-9-5-17(6-10-21)11-13-32(15-18-3-7-20(8-4-18)26(27,28)29)24-30-22(37-31-24)19-12-14-35-16-19/h3-10,19H,11-16H2,1-2H3,(H,33,34)
SMILES: CC(C)c1nc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)no1
SELFIES: [C][C][Branch1][C][C][C][=N][C][Branch2][Branch1][=Branch2][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][O][Ring2][Ring2][Ring2]
InChI: InChI=1S/C26H27F6N3O4/c1-15(2)21-33-23(34-39-21)35(12-11-16-5-9-19(10-6-16)38-24(3,4)22(36)37)14-17-7-8-18(25(27,28)29)13-20(17)26(30,31)32/h5-10,13,15H,11-12,14H2,1-4H3,(H,36,37)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][=Branch1][O][O][C][=C][C][=C][Branch2][Branch1][=C][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring1][#C][C][=C][Ring2][Ring2][#Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C30H24F9N3O4/c1-27(2,25(43)44)45-22-11-3-17(4-12-22)13-14-42(16-19-7-10-21(29(34,35)36)15-23(19)30(37,38)39)26-40-24(46-41-26)18-5-8-20(9-6-18)28(31,32)33/h3-12,15H,13-14,16H2,1-2H3,(H,43,44)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2noc(-c3ccc(OC(F)(F)F)cc3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][=Branch1][Branch1][O][C][=C][C][=C][Branch2][Branch1][Branch2][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=N][O][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][=N][Ring1][S][C][=C][Ring2][Ring2][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H25F6N3O6/c1-27(2,25(39)40)41-21-9-3-18(4-10-21)15-16-38(17-19-5-11-22(12-6-19)42-28(30,31)32)26-36-24(44-37-26)20-7-13-23(14-8-20)43-29(33,34)35/h3-14H,15-17H2,1-2H3,(H,39,40)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][=Branch1][Ring2][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=N][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring1][#C][C][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H25F6N3O5/c1-27(2,25(39)40)41-22-11-3-18(4-12-22)15-16-38(17-19-5-13-23(14-6-19)42-29(33,34)35)26-36-24(43-37-26)20-7-9-21(10-8-20)28(30,31)32/h3-14H,15-17H2,1-2H3,(H,39,40)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2noc(-c3cccc(C(F)(F)F)c3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][=Branch1][Ring2][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=N][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring1][#C][C][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H25F6N3O5/c1-27(2,25(39)40)41-22-10-6-18(7-11-22)14-15-38(17-19-8-12-23(13-9-19)42-29(33,34)35)26-36-24(43-37-26)20-4-3-5-21(16-20)28(30,31)32/h3-13,16H,14-15,17H2,1-2H3,(H,39,40)
SMILES: CC(C)c1nc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(OC(F)(F)F)cc2)no1
SELFIES: [C][C][Branch1][C][C][C][=N][C][Branch2][Branch1][C][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][=N][O][Ring2][Ring1][P]
InChI: InChI=1S/C25H28F3N3O5/c1-16(2)21-29-23(30-36-21)31(15-18-7-11-20(12-8-18)35-25(26,27)28)14-13-17-5-9-19(10-6-17)34-24(3,4)22(32)33/h5-12,16H,13-15H2,1-4H3,(H,32,33)
SMILES: CC(C)c1nc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(SC(F)(F)F)cc2)no1
SELFIES: [C][C][Branch1][C][C][C][=N][C][Branch2][Branch1][C][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][=N][O][Ring2][Ring1][P]
InChI: InChI=1S/C25H28F3N3O4S/c1-16(2)21-29-23(30-35-21)31(15-18-7-11-20(12-8-18)36-25(26,27)28)14-13-17-5-9-19(10-6-17)34-24(3,4)22(32)33/h5-12,16H,13-15H2,1-4H3,(H,32,33)
SMILES: CSc1ccc(CN(CCc2ccc(OC(C)(C)C(=O)O)cc2)c2noc(C(C)C)n2)cc1
SELFIES: [C][S][C][=C][C][=C][Branch2][Ring2][=N][C][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][=N][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C25H31N3O4S/c1-17(2)22-26-24(27-32-22)28(16-19-8-12-21(33-5)13-9-19)15-14-18-6-10-20(11-7-18)31-25(3,4)23(29)30/h6-13,17H,14-16H2,1-5H3,(H,29,30)
SMILES: CC(C)(C)OC(=O)N1CCC(c2nc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)no2)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Branch1][N][C][=N][C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][S][C][C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C32H39F3N4O6/c1-30(2,3)44-29(42)38-18-15-23(16-19-38)26-36-28(37-45-26)39(20-22-6-10-24(11-7-22)32(33,34)35)17-14-21-8-12-25(13-9-21)43-31(4,5)27(40)41/h6-13,23H,14-20H2,1-5H3,(H,40,41)
SMILES: CC(=O)N1CCC(c2nc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)no2)CC1
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Branch1][N][C][=N][C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][S][C][C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C29H33F3N4O5/c1-19(37)35-16-13-22(14-17-35)25-33-27(34-41-25)36(18-21-4-8-23(9-5-21)29(30,31)32)15-12-20-6-10-24(11-7-20)40-28(2,3)26(38)39/h4-11,22H,12-18H2,1-3H3,(H,38,39)
SMILES: CNC(=O)N1CCC(c2nc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)no2)CC1
SELFIES: [C][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Branch1][N][C][=N][C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][S][C][C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C29H34F3N5O5/c1-28(2,25(38)39)41-23-10-6-19(7-11-23)12-15-37(18-20-4-8-22(9-5-20)29(30,31)32)26-34-24(42-35-26)21-13-16-36(17-14-21)27(40)33-3/h4-11,21H,12-18H2,1-3H3,(H,33,40)(H,38,39)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(C3CCN(Cc4ccccc4)CC3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][=Branch1][Branch1][O][C][=C][C][=C][Branch2][Branch1][Branch2][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch2][Ring1][Ring2][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][C][C][=C][Ring2][Ring2][=Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C34H37F3N4O4/c1-33(2,31(42)43)44-29-14-10-24(11-15-29)16-21-41(23-26-8-12-28(13-9-26)34(35,36)37)32-38-30(45-39-32)27-17-19-40(20-18-27)22-25-6-4-3-5-7-25/h3-15,27H,16-23H2,1-2H3,(H,42,43)
SMILES: COC(=O)N1CCC(c2nc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)no2)CC1
SELFIES: [C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Branch1][N][C][=N][C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][S][C][C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C29H33F3N4O6/c1-28(2,25(37)38)41-23-10-6-19(7-11-23)12-15-36(18-20-4-8-22(9-5-20)29(30,31)32)26-33-24(42-34-26)21-13-16-35(17-14-21)27(39)40-3/h4-11,21H,12-18H2,1-3H3,(H,37,38)
SMILES: CCN1CCC(c2nc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)no2)CC1
SELFIES: [C][C][N][C][C][C][Branch2][Branch1][N][C][=N][C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][S][C][C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C29H35F3N4O4/c1-4-35-16-14-22(15-17-35)25-33-27(34-40-25)36(19-21-5-9-23(10-6-21)29(30,31)32)18-13-20-7-11-24(12-8-20)39-28(2,3)26(37)38/h5-12,22H,4,13-19H2,1-3H3,(H,37,38)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(C3CCN(C(N)=O)CC3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][#C][O][C][=C][C][=C][Branch2][Branch1][C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][S][C][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][=N][Ring1][=C][C][=C][Ring2][Ring2][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C28H32F3N5O5/c1-27(2,24(37)38)40-22-9-5-18(6-10-22)11-14-36(17-19-3-7-21(8-4-19)28(29,30)31)26-33-23(41-34-26)20-12-15-35(16-13-20)25(32)39/h3-10,20H,11-17H2,1-2H3,(H2,32,39)(H,37,38)
SMILES: CC(C)COC(=O)N1CCC(c2nc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)no2)CC1
SELFIES: [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Branch1][N][C][=N][C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][S][C][C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C32H39F3N4O6/c1-21(2)20-43-30(42)38-17-14-24(15-18-38)27-36-29(37-45-27)39(19-23-5-9-25(10-6-23)32(33,34)35)16-13-22-7-11-26(12-8-22)44-31(3,4)28(40)41/h5-12,21,24H,13-20H2,1-4H3,(H,40,41)
SMILES: CCOC(=O)N1CCC(c2nc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)no2)CC1
SELFIES: [C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Branch1][N][C][=N][C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][S][C][C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C30H35F3N4O6/c1-4-41-28(40)36-17-14-22(15-18-36)25-34-27(35-43-25)37(19-21-5-9-23(10-6-21)30(31,32)33)16-13-20-7-11-24(12-8-20)42-29(2,3)26(38)39/h5-12,22H,4,13-19H2,1-3H3,(H,38,39)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(C3CCN(S(C)(=O)=O)CC3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][=Branch1][Ring1][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch2][Ring1][Ring1][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][=N][Ring1][#C][C][=C][Ring2][Ring2][Ring1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C28H33F3N4O6S/c1-27(2,25(36)37)40-23-10-6-19(7-11-23)12-15-34(18-20-4-8-22(9-5-20)28(29,30)31)26-32-24(41-33-26)21-13-16-35(17-14-21)42(3,38)39/h4-11,21H,12-18H2,1-3H3,(H,36,37)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(C3CCN(C(=O)OCc4ccccc4)CC3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][=Branch1][#Branch2][O][C][=C][C][=C][Branch2][Branch1][=N][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch2][Ring1][=Branch2][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring2][=Branch2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C35H37F3N4O6/c1-34(2,31(43)44)47-29-14-10-24(11-15-29)16-19-42(22-25-8-12-28(13-9-25)35(36,37)38)32-39-30(48-40-32)27-17-20-41(21-18-27)33(45)46-23-26-6-4-3-5-7-26/h3-15,27H,16-23H2,1-2H3,(H,43,44)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(CN3CCN(c4ccc(F)cc4)CC3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][=Branch1][Branch2][O][C][=C][C][=C][Branch2][Branch1][O][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch2][Ring1][#Branch1][C][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring2][#Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C33H35F4N5O4/c1-32(2,30(43)44)45-28-13-5-23(6-14-28)15-16-42(21-24-3-7-25(8-4-24)33(35,36)37)31-38-29(46-39-31)22-40-17-19-41(20-18-40)27-11-9-26(34)10-12-27/h3-14H,15-22H2,1-2H3,(H,43,44)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(CN3CCOCC3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][O][C][=C][C][=C][Branch2][Ring2][N][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][S][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H31F3N4O5/c1-26(2,24(35)36)38-22-9-5-19(6-10-22)11-12-34(17-20-3-7-21(8-4-20)27(28,29)30)25-31-23(39-32-25)18-33-13-15-37-16-14-33/h3-10H,11-18H2,1-2H3,(H,35,36)
SMILES: CC(C)c1nc(N(Cc2ccc(C(F)(F)F)cc2)CC(C)(C)c2ccc(OC(C)(C)C(=O)O)cc2)no1
SELFIES: [C][C][Branch1][C][C][C][=N][C][Branch2][Branch1][#Branch1][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][=N][O][Ring2][Ring2][C]
InChI: InChI=1S/C27H32F3N3O4/c1-17(2)22-31-24(32-37-22)33(15-18-7-9-20(10-8-18)27(28,29)30)16-25(3,4)19-11-13-21(14-12-19)36-26(5,6)23(34)35/h7-14,17H,15-16H2,1-6H3,(H,34,35)
SMILES: Cc1cc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2noc(-c3ccc(C(F)(F)F)cc3)n2)ccc1OC(C)(C)C(=O)O
SELFIES: [C][C][=C][C][Branch2][Branch1][#Branch1][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=N][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring1][#C][=C][C][=C][Ring2][Ring2][Ring2][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C30H27F6N3O5/c1-18-16-19(6-13-24(18)43-28(2,3)26(40)41)14-15-39(17-20-4-11-23(12-5-20)42-30(34,35)36)27-37-25(44-38-27)21-7-9-22(10-8-21)29(31,32)33/h4-13,16H,14-15,17H2,1-3H3,(H,40,41)
SMILES: CN(CCc1ccc(OC(C)(C)C(=O)O)cc1)c1noc(-c2cccc(C(F)(F)F)c2)n1
SELFIES: [C][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][=N][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring1][#C]
InChI: InChI=1S/C22H22F3N3O4/c1-21(2,19(29)30)31-17-9-7-14(8-10-17)11-12-28(3)20-26-18(32-27-20)15-5-4-6-16(13-15)22(23,24)25/h4-10,13H,11-12H2,1-3H3,(H,29,30)
SMILES: Cc1ccccc1-c1nc(N(CCCc2cccc(OC(C)(C)C(=O)O)c2)Cc2ccc(C(F)(F)F)cc2)no1
SELFIES: [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch2][Branch1][C][N][Branch2][Ring1][O][C][C][C][C][=C][C][=C][C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][P]
InChI: InChI=1S/C30H30F3N3O4/c1-20-8-4-5-12-25(20)26-34-28(35-40-26)36(19-22-13-15-23(16-14-22)30(31,32)33)17-7-10-21-9-6-11-24(18-21)39-29(2,3)27(37)38/h4-6,8-9,11-16,18H,7,10,17,19H2,1-3H3,(H,37,38)
SMILES: Cc1cccc(-c2nc(N(CCCc3cccc(OC(C)(C)C(=O)O)c3)Cc3ccc(C(F)(F)F)cc3)no2)c1
SELFIES: [C][C][=C][C][=C][C][Branch2][Branch1][=N][C][=N][C][Branch2][Branch1][C][N][Branch2][Ring1][O][C][C][C][C][=C][C][=C][C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][P][=C][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C30H30F3N3O4/c1-20-7-4-10-23(17-20)26-34-28(35-40-26)36(19-22-12-14-24(15-13-22)30(31,32)33)16-6-9-21-8-5-11-25(18-21)39-29(2,3)27(37)38/h4-5,7-8,10-15,17-18H,6,9,16,19H2,1-3H3,(H,37,38)
SMILES: Cc1ccc(-c2nc(N(CCCc3cccc(OC(C)(C)C(=O)O)c3)Cc3ccc(C(F)(F)F)cc3)no2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Branch1][=N][C][=N][C][Branch2][Branch1][C][N][Branch2][Ring1][O][C][C][C][C][=C][C][=C][C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][P][C][=C][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C30H30F3N3O4/c1-20-9-13-23(14-10-20)26-34-28(35-40-26)36(19-22-11-15-24(16-12-22)30(31,32)33)17-5-7-21-6-4-8-25(18-21)39-29(2,3)27(37)38/h4,6,8-16,18H,5,7,17,19H2,1-3H3,(H,37,38)
SMILES: CC(C)(Oc1cccc(CCCN(Cc2ccc(C(F)(F)F)cc2)c2noc(-c3ccc(C#N)cc3)n2)c1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=N][O][C][=C][C][=C][C][Branch2][Ring2][S][C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring1][=N][=C][Ring2][Ring2][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C30H27F3N4O4/c1-29(2,27(38)39)40-25-7-3-5-20(17-25)6-4-16-37(19-22-10-14-24(15-11-22)30(31,32)33)28-35-26(41-36-28)23-12-8-21(18-34)9-13-23/h3,5,7-15,17H,4,6,16,19H2,1-2H3,(H,38,39)
SMILES: CC(C)(Oc1cccc(CCCN(Cc2ccc(C(F)(F)F)cc2)c2noc(-c3cccc(C#N)c3)n2)c1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=N][O][C][=C][C][=C][C][Branch2][Ring2][S][C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=N][Ring1][=N][=C][Ring2][Ring2][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C30H27F3N4O4/c1-29(2,27(38)39)40-25-10-4-6-20(17-25)8-5-15-37(19-21-11-13-24(14-12-21)30(31,32)33)28-35-26(41-36-28)23-9-3-7-22(16-23)18-34/h3-4,6-7,9-14,16-17H,5,8,15,19H2,1-2H3,(H,38,39)