EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)c1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)c(Br)c2)Cc2ccc(SC(F)(F)F)cc2)nc1
SELFIES: [C][C][Branch1][C][C][C][=C][N][=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][S][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C27H29BrF3N3O3S/c1-17(2)20-14-32-25(33-15-20)34(16-19-5-8-21(9-6-19)38-27(29,30)31)12-11-18-7-10-23(22(28)13-18)37-26(3,4)24(35)36/h5-10,13-15,17H,11-12,16H2,1-4H3,(H,35,36)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ncc(-c3cccc(C(F)(F)F)c3)cn2)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][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=N][Ring1][S][C][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C31H27F6N3O3/c1-29(2,27(41)42)43-26-12-8-20(9-13-26)14-15-40(19-21-6-10-24(11-7-21)30(32,33)34)28-38-17-23(18-39-28)22-4-3-5-25(16-22)31(35,36)37/h3-13,16-18H,14-15,19H2,1-2H3,(H,41,42)
SMILES: CCc1cnc(N(CCCc2ccc(OCC(=O)O)cc2)Cc2cccc(OC(F)(F)F)c2)nc1
SELFIES: [C][C][C][=C][N][=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][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring1][P]
InChI: InChI=1S/C25H26F3N3O4/c1-2-18-14-29-24(30-15-18)31(16-20-5-3-7-22(13-20)35-25(26,27)28)12-4-6-19-8-10-21(11-9-19)34-17-23(32)33/h3,5,7-11,13-15H,2,4,6,12,16-17H2,1H3,(H,32,33)
SMILES: COc1ccc(CCNc2ccccn2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch1][N][C][C][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C]
InChI: InChI=1S/C14H16N2O/c1-17-13-7-5-12(6-8-13)9-11-16-14-4-2-3-10-15-14/h2-8,10H,9,11H2,1H3,(H,15,16)
SMILES: COc1ccc(CCNc2ccc(C)cn2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch1][#C][C][C][N][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C15H18N2O/c1-12-3-8-15(17-11-12)16-10-9-13-4-6-14(18-2)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,16,17)
SMILES: COc1ccc(CCNc2cc(C)ccn2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch1][#C][C][C][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C15H18N2O/c1-12-7-9-16-15(11-12)17-10-8-13-3-5-14(18-2)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,16,17)
SMILES: COc1ccc(CCNc2cccc(C)n2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch1][#C][C][C][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C15H18N2O/c1-12-4-3-5-15(17-12)16-11-10-13-6-8-14(18-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,16,17)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2ccccn2)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][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][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][=C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H24F6N2O3/c1-24(2,23(35)36)37-20-10-6-17(7-11-20)12-14-34(22-5-3-4-13-33-22)16-18-8-9-19(25(27,28)29)15-21(18)26(30,31)32/h3-11,13,15H,12,14,16H2,1-2H3,(H,35,36)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccccn2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Ring2][#C][O][C][=C][C][=C][Branch2][Ring2][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][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C25H25F3N2O3/c1-24(2,23(31)32)33-21-12-8-18(9-13-21)14-16-30(22-5-3-4-15-29-22)17-19-6-10-20(11-7-19)25(26,27)28/h3-13,15H,14,16-17H2,1-2H3,(H,31,32)
SMILES: Cc1ccnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1
SELFIES: [C][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][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C27H26F6N2O3/c1-17-10-12-34-23(14-17)35(13-11-18-4-8-21(9-5-18)38-25(2,3)24(36)37)16-19-6-7-20(26(28,29)30)15-22(19)27(31,32)33/h4-10,12,14-15H,11,13,16H2,1-3H3,(H,36,37)
SMILES: Cc1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)nc1
SELFIES: [C][C][=C][C][=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][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C27H26F6N2O3/c1-17-4-11-23(34-15-17)35(13-12-18-5-9-21(10-6-18)38-25(2,3)24(36)37)16-19-7-8-20(26(28,29)30)14-22(19)27(31,32)33/h4-11,14-15H,12-13,16H2,1-3H3,(H,36,37)
SMILES: Cc1cccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)n1
SELFIES: [C][C][=C][C][=C][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][Ring2][Ring2][Branch1]
InChI: InChI=1S/C27H26F6N2O3/c1-17-5-4-6-23(34-17)35(14-13-18-7-11-21(12-8-18)38-25(2,3)24(36)37)16-19-9-10-20(26(28,29)30)15-22(19)27(31,32)33/h4-12,15H,13-14,16H2,1-3H3,(H,36,37)
SMILES: Cc1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [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/C26H27F3N2O3/c1-18-4-13-23(30-16-18)31(17-20-5-9-21(10-6-20)26(27,28)29)15-14-19-7-11-22(12-8-19)34-25(2,3)24(32)33/h4-13,16H,14-15,17H2,1-3H3,(H,32,33)
SMILES: Cc1ccc(N(CCc2ccc(O)cc2)Cc2cccc(OC(F)(F)F)c2)nc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring1][N]
InChI: InChI=1S/C22H21F3N2O2/c1-16-5-10-21(26-14-16)27(12-11-17-6-8-19(28)9-7-17)15-18-3-2-4-20(13-18)29-22(23,24)25/h2-10,13-14,28H,11-12,15H2,1H3
SMILES: Cc1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2cccc(OC(F)(F)F)c2)nc1
SELFIES: [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][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring2][C]
InChI: InChI=1S/C26H27F3N2O4/c1-18-7-12-23(30-16-18)31(17-20-5-4-6-22(15-20)35-26(27,28)29)14-13-19-8-10-21(11-9-19)34-25(2,3)24(32)33/h4-12,15-16H,13-14,17H2,1-3H3,(H,32,33)
SMILES: Cc1ccc(N(CCc2ccc(OCC(=O)O)cc2)Cc2cccc(OC(F)(F)F)c2)nc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][N][N][Branch2][Ring1][Ring2][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring1][S]
InChI: InChI=1S/C24H23F3N2O4/c1-17-5-10-22(28-14-17)29(15-19-3-2-4-21(13-19)33-24(25,26)27)12-11-18-6-8-20(9-7-18)32-16-23(30)31/h2-10,13-14H,11-12,15-16H2,1H3,(H,30,31)
SMILES: CCCc1cc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(C)cn2)ccc1O
SELFIES: [C][C][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][C][C][=N][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][O][O]
InChI: InChI=1S/C25H27F3N2O/c1-3-4-21-15-19(8-11-23(21)31)13-14-30(24-12-5-18(2)16-29-24)17-20-6-9-22(10-7-20)25(26,27)28/h5-12,15-16,31H,3-4,13-14,17H2,1-2H3
SMILES: CCCc1cc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(C)cn2)ccc1OCC(=O)O
SELFIES: [C][C][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][C][C][=N][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][O][O][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H29F3N2O3/c1-3-4-22-15-20(8-11-24(22)35-18-26(33)34)13-14-32(25-12-5-19(2)16-31-25)17-21-6-9-23(10-7-21)27(28,29)30/h5-12,15-16H,3-4,13-14,17-18H2,1-2H3,(H,33,34)
SMILES: CCCc1cc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(C)cn2)ccc1OCC1=NNNN1
SELFIES: [C][C][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][C][C][=N][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][O][O][C][C][=N][N][N][N][Ring1][Branch1]
InChI: InChI=1S/C27H31F3N6O/c1-3-4-22-15-20(8-11-24(22)37-18-25-32-34-35-33-25)13-14-36(26-12-5-19(2)16-31-26)17-21-6-9-23(10-7-21)27(28,29)30/h5-12,15-16,34-35H,3-4,13-14,17-18H2,1-2H3,(H,32,33)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)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][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H24F6N2O3/c1-24(2,23(35)36)37-21-10-5-17(6-11-21)13-14-34(22-12-9-20(15-33-22)26(30,31)32)16-18-3-7-19(8-4-18)25(27,28)29/h3-12,15H,13-14,16H2,1-2H3,(H,35,36)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(Br)cn2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][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][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][O][C][=Branch1][C][=O][O]
InChI: InChI=1S/C25H24BrF3N2O3/c1-24(2,23(32)33)34-21-10-5-17(6-11-21)13-14-31(22-12-9-20(26)15-30-22)16-18-3-7-19(8-4-18)25(27,28)29/h3-12,15H,13-14,16H2,1-2H3,(H,32,33)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(-c3cccnc3)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][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][Ring1][N][C][=C][Ring2][Ring1][S][C][=Branch1][C][=O][O]
InChI: InChI=1S/C30H28F3N3O3/c1-29(2,28(37)38)39-26-12-7-21(8-13-26)15-17-36(20-22-5-10-25(11-6-22)30(31,32)33)27-14-9-24(19-35-27)23-4-3-16-34-18-23/h3-14,16,18-19H,15,17,20H2,1-2H3,(H,37,38)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(-c3ccco3)cn2)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][=C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=N][Ring1][O][C][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H27F3N2O4/c1-28(2,27(35)36)38-24-12-7-20(8-13-24)15-16-34(19-21-5-10-23(11-6-21)29(30,31)32)26-14-9-22(18-33-26)25-4-3-17-37-25/h3-14,17-18H,15-16,19H2,1-2H3,(H,35,36)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(-c3cccs3)cn2)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][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=N][Ring1][O][C][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H27F3N2O3S/c1-28(2,27(35)36)37-24-12-7-20(8-13-24)15-16-34(19-21-5-10-23(11-6-21)29(30,31)32)26-14-9-22(18-33-26)25-4-3-17-38-25/h3-14,17-18H,15-16,19H2,1-2H3,(H,35,36)
SMILES: COc1ccc(-c2ccc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)nc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][=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][C][=C][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C32H31F3N2O4/c1-31(2,30(38)39)41-28-13-6-22(7-14-28)18-19-37(21-23-4-11-26(12-5-23)32(33,34)35)29-17-10-25(20-36-29)24-8-15-27(40-3)16-9-24/h4-17,20H,18-19,21H2,1-3H3,(H,38,39)
SMILES: COc1cccc(-c2ccc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)nc2)c1
SELFIES: [C][O][C][=C][C][=C][C][Branch2][Branch1][=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][=C][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C32H31F3N2O4/c1-31(2,30(38)39)41-27-14-9-22(10-15-27)17-18-37(21-23-7-12-26(13-8-23)32(33,34)35)29-16-11-25(20-36-29)24-5-4-6-28(19-24)40-3/h4-16,19-20H,17-18,21H2,1-3H3,(H,38,39)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(-c3ccoc3)cn2)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][=C][C][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][C][=N][Ring1][O][C][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H27F3N2O4/c1-28(2,27(35)36)38-25-10-5-20(6-11-25)13-15-34(18-21-3-8-24(9-4-21)29(30,31)32)26-12-7-22(17-33-26)23-14-16-37-19-23/h3-12,14,16-17,19H,13,15,18H2,1-2H3,(H,35,36)
SMILES: CC(=O)c1ccc(-c2ccc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)nc2)cc1
SELFIES: [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][=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][C][=C][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C33H31F3N2O4/c1-22(39)25-8-10-26(11-9-25)27-12-17-30(37-20-27)38(21-24-4-13-28(14-5-24)33(34,35)36)19-18-23-6-15-29(16-7-23)42-32(2,3)31(40)41/h4-17,20H,18-19,21H2,1-3H3,(H,40,41)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(-c3ccncc3)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][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][Ring1][N][C][=C][Ring2][Ring1][S][C][=Branch1][C][=O][O]
InChI: InChI=1S/C30H28F3N3O3/c1-29(2,28(37)38)39-26-10-5-21(6-11-26)15-18-36(20-22-3-8-25(9-4-22)30(31,32)33)27-12-7-24(19-35-27)23-13-16-34-17-14-23/h3-14,16-17,19H,15,18,20H2,1-2H3,(H,37,38)
SMILES: CC(=O)c1cccc(-c2ccc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)nc2)c1
SELFIES: [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Branch1][=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][=C][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C33H31F3N2O4/c1-22(39)25-5-4-6-26(19-25)27-11-16-30(37-20-27)38(21-24-7-12-28(13-8-24)33(34,35)36)18-17-23-9-14-29(15-10-23)42-32(2,3)31(40)41/h4-16,19-20H,17-18,21H2,1-3H3,(H,40,41)
SMILES: Cc1ccc(-c2ccc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)nc2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Branch1][=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][C][=C][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C32H31F3N2O3/c1-22-4-10-25(11-5-22)26-12-17-29(36-20-26)37(21-24-6-13-27(14-7-24)32(33,34)35)19-18-23-8-15-28(16-9-23)40-31(2,3)30(38)39/h4-17,20H,18-19,21H2,1-3H3,(H,38,39)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(-c3ccccc3C(F)(F)F)cn2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][P][O][C][=C][C][=C][Branch2][Branch1][Ring2][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][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][S][C][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C32H28F6N2O3/c1-30(2,29(41)42)43-25-14-9-21(10-15-25)17-18-40(20-22-7-12-24(13-8-22)31(33,34)35)28-16-11-23(19-39-28)26-5-3-4-6-27(26)32(36,37)38/h3-16,19H,17-18,20H2,1-2H3,(H,41,42)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(-c3ccccc3Cl)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][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=N][Ring1][=N][C][=C][Ring2][Ring1][P][C][=Branch1][C][=O][O]
InChI: InChI=1S/C31H28ClF3N2O3/c1-30(2,29(38)39)40-25-14-9-21(10-15-25)17-18-37(20-22-7-12-24(13-8-22)31(33,34)35)28-16-11-23(19-36-28)26-5-3-4-6-27(26)32/h3-16,19H,17-18,20H2,1-2H3,(H,38,39)
SMILES: COc1ccccc1-c1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][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/C32H31F3N2O4/c1-31(2,30(38)39)41-26-15-10-22(11-16-26)18-19-37(21-23-8-13-25(14-9-23)32(33,34)35)29-17-12-24(20-36-29)27-6-4-5-7-28(27)40-3/h4-17,20H,18-19,21H2,1-3H3,(H,38,39)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(-c3ccsc3)cn2)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][=C][C][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][=N][Ring1][O][C][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H27F3N2O3S/c1-28(2,27(35)36)37-25-10-5-20(6-11-25)13-15-34(18-21-3-8-24(9-4-21)29(30,31)32)26-12-7-22(17-33-26)23-14-16-38-19-23/h3-12,14,16-17,19H,13,15,18H2,1-2H3,(H,35,36)
SMILES: Cc1cccc(-c2ccc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)nc2)c1
SELFIES: [C][C][=C][C][=C][C][Branch2][Branch1][=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][=C][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C32H31F3N2O3/c1-22-5-4-6-25(19-22)26-11-16-29(36-20-26)37(21-24-7-12-27(13-8-24)32(33,34)35)18-17-23-9-14-28(15-10-23)40-31(2,3)30(38)39/h4-16,19-20H,17-18,21H2,1-3H3,(H,38,39)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(-c3ccc(Cl)cc3)cn2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][N][O][C][=C][C][=C][Branch2][Ring2][#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][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][Ring1][=N][C][=C][Ring2][Ring1][P][C][=Branch1][C][=O][O]
InChI: InChI=1S/C31H28ClF3N2O3/c1-30(2,29(38)39)40-27-14-5-21(6-15-27)17-18-37(20-22-3-10-25(11-4-22)31(33,34)35)28-16-9-24(19-36-28)23-7-12-26(32)13-8-23/h3-16,19H,17-18,20H2,1-2H3,(H,38,39)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(-c3cccc(Cl)c3)cn2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][N][O][C][=C][C][=C][Branch2][Ring2][#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][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][Ring1][=N][C][=C][Ring2][Ring1][P][C][=Branch1][C][=O][O]
InChI: InChI=1S/C31H28ClF3N2O3/c1-30(2,29(38)39)40-27-13-8-21(9-14-27)16-17-37(20-22-6-11-25(12-7-22)31(33,34)35)28-15-10-24(19-36-28)23-4-3-5-26(32)18-23/h3-15,18-19H,16-17,20H2,1-2H3,(H,38,39)
SMILES: Cc1ccccc1-c1ccc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][=C][C][=C][C][=C][Ring1][=Branch1][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/C32H31F3N2O3/c1-22-6-4-5-7-28(22)25-12-17-29(36-20-25)37(21-24-8-13-26(14-9-24)32(33,34)35)19-18-23-10-15-27(16-11-23)40-31(2,3)30(38)39/h4-17,20H,18-19,21H2,1-3H3,(H,38,39)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cn2)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][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][Ring1][S][C][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C32H28F6N2O3/c1-30(2,29(41)42)43-27-14-5-21(6-15-27)17-18-40(20-22-3-10-25(11-4-22)31(33,34)35)28-16-9-24(19-39-28)23-7-12-26(13-8-23)32(36,37)38/h3-16,19H,17-18,20H2,1-2H3,(H,41,42)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(-c3cccc(C(F)(F)F)c3)cn2)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][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=N][Ring1][S][C][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C32H28F6N2O3/c1-30(2,29(41)42)43-27-13-8-21(9-14-27)16-17-40(20-22-6-11-25(12-7-22)31(33,34)35)28-15-10-24(19-39-28)23-4-3-5-26(18-23)32(36,37)38/h3-15,18-19H,16-17,20H2,1-2H3,(H,41,42)
SMILES: CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2ccc(Br)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][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][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][N]
InChI: InChI=1S/C27H28BrF3N2O4/c1-4-35-25(34)26(2,3)36-22-10-5-19(6-11-22)15-16-33(24-14-9-21(28)17-32-24)18-20-7-12-23(13-8-20)37-27(29,30)31/h5-14,17H,4,15-16,18H2,1-3H3