EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCc1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][C][=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][=C][Ring2][Ring1][P]
InChI: InChI=1S/C27H29F3N2O3/c1-4-19-9-14-24(31-17-19)32(18-21-5-10-22(11-6-21)27(28,29)30)16-15-20-7-12-23(13-8-20)35-26(2,3)25(33)34/h5-14,17H,4,15-16,18H2,1-3H3,(H,33,34)
SMILES: CCc1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][C][=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][=C][Ring2][Ring2][C]
InChI: InChI=1S/C27H29F3N2O4/c1-4-19-9-14-24(31-17-19)32(18-21-7-12-23(13-8-21)36-27(28,29)30)16-15-20-5-10-22(11-6-20)35-26(2,3)25(33)34/h5-14,17H,4,15-16,18H2,1-3H3,(H,33,34)
SMILES: CCCc1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][C][=C][C][=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][=C][Ring2][Ring2][C]
InChI: InChI=1S/C28H31F3N2O4/c1-4-5-21-10-15-25(32-18-21)33(19-22-8-13-24(14-9-22)37-28(29,30)31)17-16-20-6-11-23(12-7-20)36-27(2,3)26(34)35/h6-15,18H,4-5,16-17,19H2,1-3H3,(H,34,35)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2ccc(CCCO)cn2)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][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][C][=C][Branch1][Branch1][C][C][C][O][C][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C28H31F3N2O5/c1-27(2,26(35)36)37-23-10-5-20(6-11-23)15-16-33(25-14-9-21(18-32-25)4-3-17-34)19-22-7-12-24(13-8-22)38-28(29,30)31/h5-14,18,34H,3-4,15-17,19H2,1-2H3,(H,35,36)
SMILES: CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(C(C)=O)cn2)cc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][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][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C29H31F3N2O4/c1-5-37-27(36)28(3,4)38-25-13-8-21(9-14-25)16-17-34(26-15-10-23(18-33-26)20(2)35)19-22-6-11-24(12-7-22)29(30,31)32/h6-15,18H,5,16-17,19H2,1-4H3
SMILES: CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2ccc(C(C)=O)cn2)cc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring2][#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][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C29H31F3N2O5/c1-5-37-27(36)28(3,4)38-24-11-6-21(7-12-24)16-17-34(26-15-10-23(18-33-26)20(2)35)19-22-8-13-25(14-9-22)39-29(30,31)32/h6-15,18H,5,16-17,19H2,1-4H3
SMILES: CC(=O)c1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][=Branch1][C][=O][C][=C][C][=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][=C][Ring2][Ring1][P]
InChI: InChI=1S/C27H27F3N2O4/c1-18(33)21-8-13-24(31-16-21)32(17-20-4-9-22(10-5-20)27(28,29)30)15-14-19-6-11-23(12-7-19)36-26(2,3)25(34)35/h4-13,16H,14-15,17H2,1-3H3,(H,34,35)
SMILES: CC(C)c1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][Branch1][C][C][C][=C][C][=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][=C][Ring2][Ring1][P]
InChI: InChI=1S/C28H31F3N2O3/c1-19(2)22-9-14-25(32-17-22)33(18-21-5-10-23(11-6-21)28(29,30)31)16-15-20-7-12-24(13-8-20)36-27(3,4)26(34)35/h5-14,17,19H,15-16,18H2,1-4H3,(H,34,35)
SMILES: CC(C)c1ccc(N(CCc2cccc(OC(C)(C)C(=O)O)c2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][C][N][Branch2][Ring1][#Branch2][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][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring2][C]
InChI: InChI=1S/C28H31F3N2O4/c1-19(2)22-10-13-25(32-17-22)33(18-21-8-11-23(12-9-21)37-28(29,30)31)15-14-20-6-5-7-24(16-20)36-27(3,4)26(34)35/h5-13,16-17,19H,14-15,18H2,1-4H3,(H,34,35)
SMILES: CC(C)c1ccc(N(CCc2cccc(OCC(=O)O)c2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][N][N][Branch2][Ring1][Ring2][C][C][C][=C][C][=C][C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][=C][Ring1][O][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring1][S]
InChI: InChI=1S/C26H27F3N2O4/c1-18(2)21-8-11-24(30-15-21)31(16-20-6-9-22(10-7-20)35-26(27,28)29)13-12-19-4-3-5-23(14-19)34-17-25(32)33/h3-11,14-15,18H,12-13,16-17H2,1-2H3,(H,32,33)
SMILES: CC(C)Cc1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][Branch1][C][C][C][C][=C][C][=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][=C][Ring2][Ring2][C]
InChI: InChI=1S/C29H33F3N2O4/c1-20(2)17-23-9-14-26(33-18-23)34(19-22-7-12-25(13-8-22)38-29(30,31)32)16-15-21-5-10-24(11-6-21)37-28(3,4)27(35)36/h5-14,18,20H,15-17,19H2,1-4H3,(H,35,36)
SMILES: CCCCc1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][C][C][=C][C][=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][=C][Ring2][Ring2][C]
InChI: InChI=1S/C29H33F3N2O4/c1-4-5-6-22-11-16-26(33-19-22)34(20-23-9-14-25(15-10-23)38-29(30,31)32)18-17-21-7-12-24(13-8-21)37-28(2,3)27(35)36/h7-16,19H,4-6,17-18,20H2,1-3H3,(H,35,36)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2ccc(CCC#N)cn2)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][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][C][=C][Branch1][Branch1][C][C][C][#N][C][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C28H28F3N3O4/c1-27(2,26(35)36)37-23-10-5-20(6-11-23)15-17-34(25-14-9-21(18-33-25)4-3-16-32)19-22-7-12-24(13-8-22)38-28(29,30)31/h5-14,18H,3-4,15,17,19H2,1-2H3,(H,35,36)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2ccc(CC(F)(F)F)cn2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][O][O][C][=C][C][=C][Branch2][Ring2][=C][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][=C][C][=C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][O][C][=C][Ring2][Ring1][S][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H26F6N2O4/c1-25(2,24(36)37)38-21-8-3-18(4-9-21)13-14-35(23-12-7-20(16-34-23)15-26(28,29)30)17-19-5-10-22(11-6-19)39-27(31,32)33/h3-12,16H,13-15,17H2,1-2H3,(H,36,37)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2ccc(CO)cn2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][Ring2][O][C][=C][C][=C][Branch2][Ring2][#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][=C][C][=C][Branch1][Ring1][C][O][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H27F3N2O5/c1-25(2,24(33)34)35-21-8-3-18(4-9-21)13-14-31(23-12-7-20(17-32)15-30-23)16-19-5-10-22(11-6-19)36-26(27,28)29/h3-12,15,32H,13-14,16-17H2,1-2H3,(H,33,34)
SMILES: CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc([N+](=O)[O-])cn2)cc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][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][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C27H28F3N3O5/c1-4-37-25(34)26(2,3)38-23-12-7-19(8-13-23)15-16-32(24-14-11-22(17-31-24)33(35)36)18-20-5-9-21(10-6-20)27(28,29)30/h5-14,17H,4,15-16,18H2,1-3H3
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc([N+](=O)[O-])cn2)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][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][O]
InChI: InChI=1S/C25H24F3N3O5/c1-24(2,23(32)33)36-21-10-5-17(6-11-21)13-14-30(22-12-9-20(15-29-22)31(34)35)16-18-3-7-19(8-4-18)25(26,27)28/h3-12,15H,13-14,16H2,1-2H3,(H,32,33)
SMILES: CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(N)cn2)cc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring2][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][=C][C][=C][Branch1][C][N][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][O]
InChI: InChI=1S/C27H30F3N3O3/c1-4-35-25(34)26(2,3)36-23-12-7-19(8-13-23)15-16-33(24-14-11-22(31)17-32-24)18-20-5-9-21(10-6-20)27(28,29)30/h5-14,17H,4,15-16,18,31H2,1-3H3
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(NS(C)(=O)=O)cn2)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][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=N][Ring1][O][C][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H28F3N3O5S/c1-25(2,24(33)34)37-22-11-6-18(7-12-22)14-15-32(17-19-4-8-20(9-5-19)26(27,28)29)23-13-10-21(16-30-23)31-38(3,35)36/h4-13,16,31H,14-15,17H2,1-3H3,(H,33,34)
SMILES: COC(=O)Nc1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][O][C][=Branch1][C][=O][N][C][=C][C][=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][=C][Ring2][Ring1][P]
InChI: InChI=1S/C27H28F3N3O5/c1-26(2,24(34)35)38-22-11-6-18(7-12-22)14-15-33(17-19-4-8-20(9-5-19)27(28,29)30)23-13-10-21(16-31-23)32-25(36)37-3/h4-13,16H,14-15,17H2,1-3H3,(H,32,36)(H,34,35)
SMILES: CC(C)Nc1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][Branch1][C][C][N][C][=C][C][=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][=C][Ring2][Ring1][P]
InChI: InChI=1S/C28H32F3N3O3/c1-19(2)33-23-11-14-25(32-17-23)34(18-21-5-9-22(10-6-21)28(29,30)31)16-15-20-7-12-24(13-8-20)37-27(3,4)26(35)36/h5-14,17,19,33H,15-16,18H2,1-4H3,(H,35,36)
SMILES: C=CCN(Cc1ccc(OC(F)(F)F)cc1)c1ccc(C(C)=O)cn1
SELFIES: [C][=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][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=N][Ring1][=Branch2]
InChI: InChI=1S/C18H17F3N2O2/c1-3-10-23(17-9-6-15(11-22-17)13(2)24)12-14-4-7-16(8-5-14)25-18(19,20)21/h3-9,11H,1,10,12H2,2H3
SMILES: CC(C)c1ccc(N(CCCc2ccc(O)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][N][Branch1][#C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C25H27F3N2O2/c1-18(2)21-9-14-24(29-16-21)30(15-3-4-19-5-10-22(31)11-6-19)17-20-7-12-23(13-8-20)32-25(26,27)28/h5-14,16,18,31H,3-4,15,17H2,1-2H3
SMILES: CC(C)c1ccc(N(CCCc2cccc(O)c2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][N][Branch1][#C][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C25H27F3N2O2/c1-18(2)21-10-13-24(29-16-21)30(14-4-6-19-5-3-7-22(31)15-19)17-20-8-11-23(12-9-20)32-25(26,27)28/h3,5,7-13,15-16,18,31H,4,6,14,17H2,1-2H3
SMILES: CC(C)c1ccc(N(CCCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][Ring1][N][Branch2][Ring1][O][C][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][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C29H33F3N2O4/c1-20(2)23-11-16-26(33-18-23)34(19-22-9-14-25(15-10-22)38-29(30,31)32)17-5-6-21-7-12-24(13-8-21)37-28(3,4)27(35)36/h7-16,18,20H,5-6,17,19H2,1-4H3,(H,35,36)
SMILES: CC(C)c1ccc(N(CCCc2cccc(OC(C)(C)C(=O)O)c2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][Ring1][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][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C29H33F3N2O4/c1-20(2)23-12-15-26(33-18-23)34(19-22-10-13-24(14-11-22)38-29(30,31)32)16-6-8-21-7-5-9-25(17-21)37-28(3,4)27(35)36/h5,7,9-15,17-18,20H,6,8,16,19H2,1-4H3,(H,35,36)
SMILES: CC(C)c1ccc(N(CCCc2ccc(OCC(=O)O)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][=N][N][Branch2][Ring1][Branch1][C][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring1][P]
InChI: InChI=1S/C27H29F3N2O4/c1-19(2)22-9-14-25(31-16-22)32(17-21-7-12-24(13-8-21)36-27(28,29)30)15-3-4-20-5-10-23(11-6-20)35-18-26(33)34/h5-14,16,19H,3-4,15,17-18H2,1-2H3,(H,33,34)
SMILES: CC(C)c1ccc(N(CCCc2cccc(OCC(=O)O)c2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][=N][N][Branch2][Ring1][Branch1][C][C][C][C][=C][C][=C][C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][=C][Ring1][O][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring1][P]
InChI: InChI=1S/C27H29F3N2O4/c1-19(2)22-10-13-25(31-16-22)32(17-21-8-11-23(12-9-21)36-27(28,29)30)14-4-6-20-5-3-7-24(15-20)35-18-26(33)34/h3,5,7-13,15-16,19H,4,6,14,17-18H2,1-2H3,(H,33,34)
SMILES: C=C(C)c1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][=C][Branch1][C][C][C][=C][C][=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][=C][Ring2][Ring2][C]
InChI: InChI=1S/C28H29F3N2O4/c1-19(2)22-9-14-25(32-17-22)33(18-21-7-12-24(13-8-21)37-28(29,30)31)16-15-20-5-10-23(11-6-20)36-27(3,4)26(34)35/h5-14,17H,1,15-16,18H2,2-4H3,(H,34,35)
SMILES: CC(C)c1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)c(Br)c2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][Branch1][N][Branch2][Ring1][=N][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][Br][=C][Ring1][=C][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C28H30BrF3N2O4/c1-18(2)21-8-12-25(33-16-21)34(17-20-5-9-22(10-6-20)37-28(30,31)32)14-13-19-7-11-24(23(29)15-19)38-27(3,4)26(35)36/h5-12,15-16,18H,13-14,17H2,1-4H3,(H,35,36)
SMILES: Cc1cc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2ccc(C(C)C)cn2)ccc1OCC(=O)O
SELFIES: [C][C][=C][C][Branch2][Ring2][#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][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=N][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][=C][O][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H29F3N2O4/c1-18(2)22-7-11-25(31-15-22)32(16-21-4-8-23(9-5-21)36-27(28,29)30)13-12-20-6-10-24(19(3)14-20)35-17-26(33)34/h4-11,14-15,18H,12-13,16-17H2,1-3H3,(H,33,34)
SMILES: COc1cccnc1N(CCc1ccc(OC(C)(C)C(=O)O)cc1)Cc1ccc(OC(F)(F)F)cc1
SELFIES: [C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][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]
InChI: InChI=1S/C26H27F3N2O5/c1-25(2,24(32)33)35-20-10-6-18(7-11-20)14-16-31(23-22(34-3)5-4-15-30-23)17-19-8-12-21(13-9-19)36-26(27,28)29/h4-13,15H,14,16-17H2,1-3H3,(H,32,33)
SMILES: CC(C)Oc1cccnc1N(CCc1ccc(OC(C)(C)C(=O)O)cc1)Cc1ccc(OC(F)(F)F)cc1
SELFIES: [C][C][Branch1][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][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]
InChI: InChI=1S/C28H31F3N2O5/c1-19(2)36-24-6-5-16-32-25(24)33(18-21-9-13-23(14-10-21)38-28(29,30)31)17-15-20-7-11-22(12-8-20)37-27(3,4)26(34)35/h5-14,16,19H,15,17-18H2,1-4H3,(H,34,35)
SMILES: CC(C)Nc1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][Branch1][C][C][N][C][=C][C][=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][=C][Ring2][Ring2][C]
InChI: InChI=1S/C28H32F3N3O4/c1-19(2)33-22-9-14-25(32-17-22)34(18-21-7-12-24(13-8-21)38-28(29,30)31)16-15-20-5-10-23(11-6-20)37-27(3,4)26(35)36/h5-14,17,19,33H,15-16,18H2,1-4H3,(H,35,36)
SMILES: CN(C)c1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][N][Branch1][C][C][C][=C][C][=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][=C][Ring2][Ring2][C]
InChI: InChI=1S/C27H30F3N3O4/c1-26(2,25(34)35)36-22-10-5-19(6-11-22)15-16-33(24-14-9-21(17-31-24)32(3)4)18-20-7-12-23(13-8-20)37-27(28,29)30/h5-14,17H,15-16,18H2,1-4H3,(H,34,35)
SMILES: COCc1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][O][C][C][=C][C][=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][=C][Ring2][Ring2][C]
InChI: InChI=1S/C27H29F3N2O5/c1-26(2,25(33)34)36-22-9-4-19(5-10-22)14-15-32(24-13-8-21(16-31-24)18-35-3)17-20-6-11-23(12-7-20)37-27(28,29)30/h4-13,16H,14-15,17-18H2,1-3H3,(H,33,34)
SMILES: Cc1ccc(N(Cc2ccc(OC(F)(F)F)cc2)CC(C)(C)c2ccc(OC(C)(C)C(=O)O)cc2)nc1
SELFIES: [C][C][=C][C][=C][Branch2][Branch1][Branch2][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][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][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H31F3N2O4/c1-19-6-15-24(32-16-19)33(17-20-7-11-23(12-8-20)37-28(29,30)31)18-26(2,3)21-9-13-22(14-10-21)36-27(4,5)25(34)35/h6-16H,17-18H2,1-5H3,(H,34,35)
SMILES: CCCc1cc(C(C)(C)CN(Cc2ccc(OC(F)(F)F)cc2)c2ccccn2)ccc1OC(C)(C)C(=O)O
SELFIES: [C][C][C][C][=C][C][Branch2][Ring2][=Branch2][C][Branch1][C][C][Branch1][C][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][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=N][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C30H35F3N2O4/c1-6-9-22-18-23(13-16-25(22)39-29(4,5)27(36)37)28(2,3)20-35(26-10-7-8-17-34-26)19-21-11-14-24(15-12-21)38-30(31,32)33/h7-8,10-18H,6,9,19-20H2,1-5H3,(H,36,37)
SMILES: CCCc1cc(C(C)(C)CN(Cc2ccc(OC(F)(F)F)cc2)c2ccccn2)ccc1OCC(=O)O
SELFIES: [C][C][C][C][=C][C][Branch2][Ring2][=Branch2][C][Branch1][C][C][Branch1][C][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][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=N][O][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C28H31F3N2O4/c1-4-7-21-16-22(11-14-24(21)36-18-26(34)35)27(2,3)19-33(25-8-5-6-15-32-25)17-20-9-12-23(13-10-20)37-28(29,30)31/h5-6,8-16H,4,7,17-19H2,1-3H3,(H,34,35)
SMILES: CC(C)(Oc1ccc(CCCN(Cc2ccc(OC(F)(F)F)cc2)c2ccc(C(F)(F)F)cn2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][O][O][C][=C][C][=C][Branch2][Ring2][=C][C][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][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][S][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H26F6N2O4/c1-25(2,24(36)37)38-21-10-5-18(6-11-21)4-3-15-35(23-14-9-20(16-34-23)26(28,29)30)17-19-7-12-22(13-8-19)39-27(31,32)33/h5-14,16H,3-4,15,17H2,1-2H3,(H,36,37)
SMILES: CC(C)c1ccc(N(CCCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][C][N][Branch2][Ring1][O][C][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][=C][Ring2][Ring2][C]
InChI: InChI=1S/C29H33F3N2O3/c1-20(2)23-11-16-26(33-18-23)34(19-22-7-12-24(13-8-22)29(30,31)32)17-5-6-21-9-14-25(15-10-21)37-28(3,4)27(35)36/h7-16,18,20H,5-6,17,19H2,1-4H3,(H,35,36)
SMILES: CC(C)c1ccc(N(CCCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2cccc(OC(F)(F)F)c2)nc1
SELFIES: [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][Ring1][N][Branch2][Ring1][O][C][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][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C29H33F3N2O4/c1-20(2)23-12-15-26(33-18-23)34(19-22-7-5-9-25(17-22)38-29(30,31)32)16-6-8-21-10-13-24(14-11-21)37-28(3,4)27(35)36/h5,7,9-15,17-18,20H,6,8,16,19H2,1-4H3,(H,35,36)