EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2ncccn2)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][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][=C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C25H23F6N3O3/c1-23(2,21(35)36)37-19-8-4-16(5-9-19)10-13-34(22-32-11-3-12-33-22)15-17-6-7-18(24(26,27)28)14-20(17)25(29,30)31/h3-9,11-12,14H,10,13,15H2,1-2H3,(H,35,36)
SMILES: CCCc1cnc(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][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][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C28H29F6N3O3/c1-4-5-19-15-35-25(36-16-19)37(13-12-18-6-10-22(11-7-18)40-26(2,3)24(38)39)17-20-8-9-21(27(29,30)31)14-23(20)28(32,33)34/h6-11,14-16H,4-5,12-13,17H2,1-3H3,(H,38,39)
SMILES: CC(C)(Oc1cccc(CCCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2ncccn2)c1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][Branch2][O][C][=C][C][=C][C][Branch2][Ring2][O][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][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H25F6N3O3/c1-24(2,22(36)37)38-20-8-3-6-17(14-20)7-4-13-35(23-33-11-5-12-34-23)16-18-9-10-19(25(27,28)29)15-21(18)26(30,31)32/h3,5-6,8-12,14-15H,4,7,13,16H2,1-2H3,(H,36,37)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2nccc(C(F)(F)F)n2)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][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][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][C][=C][Ring2][Ring2][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H22F9N3O3/c1-23(2,21(39)40)41-18-7-3-15(4-8-18)10-12-38(22-36-11-9-20(37-22)26(33,34)35)14-16-5-6-17(24(27,28)29)13-19(16)25(30,31)32/h3-9,11,13H,10,12,14H2,1-2H3,(H,39,40)
SMILES: CC(C)(Oc1cccc(CCCC(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2ncccn2)c1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch1][O][C][=C][C][=C][C][Branch2][Ring2][=Branch2][C][C][C][C][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][Ring1][=C][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C30H32N4O4/c1-30(2,29(35)36)37-25-9-4-7-20(19-25)6-3-8-24(26-31-16-5-17-32-26)18-21-10-12-22(13-11-21)27-33-28(38-34-27)23-14-15-23/h4-5,7,9-13,16-17,19,23-24H,3,6,8,14-15,18H2,1-2H3,(H,35,36)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][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][=C][Ring2][Ring2][C]
InChI: InChI=1S/C26H28F3N3O4/c1-4-18-15-30-24(31-16-18)32(17-20-7-11-22(12-8-20)36-26(27,28)29)14-13-19-5-9-21(10-6-19)35-25(2,3)23(33)34/h5-12,15-16H,4,13-14,17H2,1-3H3,(H,33,34)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)nc1
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][=C][Ring2][Ring1][P]
InChI: InChI=1S/C26H28F3N3O3/c1-4-18-15-30-24(31-16-18)32(17-20-5-9-21(10-6-20)26(27,28)29)14-13-19-7-11-22(12-8-19)35-25(2,3)23(33)34/h5-12,15-16H,4,13-14,17H2,1-3H3,(H,33,34)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ncccn2)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][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C24H24F3N3O3/c1-23(2,21(31)32)33-20-10-6-17(7-11-20)12-15-30(22-28-13-3-14-29-22)16-18-4-8-19(9-5-18)24(25,26)27/h3-11,13-14H,12,15-16H2,1-2H3,(H,31,32)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ncc(Cl)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][=N][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][O][C][=Branch1][C][=O][O]
InChI: InChI=1S/C24H23ClF3N3O3/c1-23(2,21(32)33)34-20-9-5-16(6-10-20)11-12-31(22-29-13-19(25)14-30-22)15-17-3-7-18(8-4-17)24(26,27)28/h3-10,13-14H,11-12,15H2,1-2H3,(H,32,33)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ncc(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][=N][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][O][C][=Branch1][C][=O][O]
InChI: InChI=1S/C24H23BrF3N3O3/c1-23(2,21(32)33)34-20-9-5-16(6-10-20)11-12-31(22-29-13-19(25)14-30-22)15-17-3-7-18(8-4-17)24(26,27)28/h3-10,13-14H,11-12,15H2,1-2H3,(H,32,33)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2cccnc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#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][N][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C24H28N4O3/c1-4-18-15-26-23(27-16-18)28(17-20-6-5-12-25-14-20)13-11-19-7-9-21(10-8-19)31-24(2,3)22(29)30/h5-10,12,14-16H,4,11,13,17H2,1-3H3,(H,29,30)
SMILES: CC(C)c1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2cccnc2)nc1
SELFIES: [C][C][Branch1][C][C][C][=C][N][=C][Branch2][Ring2][#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][N][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C25H30N4O3/c1-18(2)21-15-27-24(28-16-21)29(17-20-6-5-12-26-14-20)13-11-19-7-9-22(10-8-19)32-25(3,4)23(30)31/h5-10,12,14-16,18H,11,13,17H2,1-4H3,(H,30,31)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccncc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#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][=N][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C24H28N4O3/c1-4-18-15-26-23(27-16-18)28(17-20-9-12-25-13-10-20)14-11-19-5-7-21(8-6-19)31-24(2,3)22(29)30/h5-10,12-13,15-16H,4,11,14,17H2,1-3H3,(H,29,30)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)c(OC)c2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][Branch1][N][Branch2][Ring1][=C][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][Ring1][O][C][=C][Ring1][#C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C27H30F3N3O4/c1-5-18-15-31-25(32-16-18)33(17-20-6-9-21(10-7-20)27(28,29)30)13-12-19-8-11-22(23(14-19)36-4)37-26(2,3)24(34)35/h6-11,14-16H,5,12-13,17H2,1-4H3,(H,34,35)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)c(Br)c2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][Ring2][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][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][Ring2][Ring2][C]
InChI: InChI=1S/C26H27BrF3N3O3/c1-4-17-14-31-24(32-15-17)33(16-19-5-8-20(9-6-19)26(28,29)30)12-11-18-7-10-22(21(27)13-18)36-25(2,3)23(34)35/h5-10,13-15H,4,11-12,16H2,1-3H3,(H,34,35)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)c(C#N)c2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][Branch1][N][Branch2][Ring1][=C][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][#N][=C][Ring1][#C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C27H27F3N4O3/c1-4-18-15-32-25(33-16-18)34(17-20-5-8-22(9-6-20)27(28,29)30)12-11-19-7-10-23(21(13-19)14-31)37-26(2,3)24(35)36/h5-10,13,15-16H,4,11-12,17H2,1-3H3,(H,35,36)
SMILES: CCc1cnc(NCCc2ccc(O)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][=C][Ring1][S]
InChI: InChI=1S/C14H17N3O/c1-2-11-9-16-14(17-10-11)15-8-7-12-3-5-13(18)6-4-12/h3-6,9-10,18H,2,7-8H2,1H3,(H,15,16,17)
SMILES: CCOC(=O)C(C)(C)Oc1ccc(CCNc2ncc(CC)cn2)cc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][S][C][C][N][C][=N][C][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2][C][=C][Ring1][P]
InChI: InChI=1S/C20H27N3O3/c1-5-15-13-22-19(23-14-15)21-12-11-16-7-9-17(10-8-16)26-20(3,4)18(24)25-6-2/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,21,22,23)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(C)(C)C)cc2)nc1
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][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][=C][Ring2][Ring1][P]
InChI: InChI=1S/C29H37N3O3/c1-7-21-18-30-27(31-19-21)32(20-23-8-12-24(13-9-23)28(2,3)4)17-16-22-10-14-25(15-11-22)35-29(5,6)26(33)34/h8-15,18-19H,7,16-17,20H2,1-6H3,(H,33,34)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2cccc(OC(F)(F)F)c2)nc1
SELFIES: [C][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][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring2][C]
InChI: InChI=1S/C26H28F3N3O4/c1-4-18-15-30-24(31-16-18)32(17-20-6-5-7-22(14-20)36-26(27,28)29)13-12-19-8-10-21(11-9-19)35-25(2,3)23(33)34/h5-11,14-16H,4,12-13,17H2,1-3H3,(H,33,34)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(SC(F)(F)F)cc2)nc1
SELFIES: [C][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][=C][Ring2][Ring2][C]
InChI: InChI=1S/C26H28F3N3O3S/c1-4-18-15-30-24(31-16-18)32(17-20-7-11-22(12-8-20)36-26(27,28)29)14-13-19-5-9-21(10-6-19)35-25(2,3)23(33)34/h5-12,15-16H,4,13-14,17H2,1-3H3,(H,33,34)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(S(C)(=O)=O)cc2)nc1
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][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][N][=C][Ring2][Ring1][P]
InChI: InChI=1S/C26H31N3O5S/c1-5-19-16-27-25(28-17-19)29(18-21-8-12-23(13-9-21)35(4,32)33)15-14-20-6-10-22(11-7-20)34-26(2,3)24(30)31/h6-13,16-17H,5,14-15,18H2,1-4H3,(H,30,31)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(SC)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][O][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][Ring1][S][C][C][=C][Ring1][Branch2][N][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C26H31N3O3S/c1-5-19-16-27-25(28-17-19)29(18-21-8-12-23(33-4)13-9-21)15-14-20-6-10-22(11-7-20)32-26(2,3)24(30)31/h6-13,16-17H,5,14-15,18H2,1-4H3,(H,30,31)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(OC)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][O][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][Ring1][O][C][C][=C][Ring1][Branch2][N][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C26H31N3O4/c1-5-19-16-27-25(28-17-19)29(18-21-8-10-22(32-4)11-9-21)15-14-20-6-12-23(13-7-20)33-26(2,3)24(30)31/h6-13,16-17H,5,14-15,18H2,1-4H3,(H,30,31)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccoc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][=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][O][C][=Ring1][Branch1][N][=C][Ring2][Ring1][N]
InChI: InChI=1S/C23H27N3O4/c1-4-17-13-24-22(25-14-17)26(15-19-10-12-29-16-19)11-9-18-5-7-20(8-6-18)30-23(2,3)21(27)28/h5-8,10,12-14,16H,4,9,11,15H2,1-3H3,(H,27,28)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2cccc(SC(F)(F)F)c2)nc1
SELFIES: [C][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][C][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring2][C]
InChI: InChI=1S/C26H28F3N3O3S/c1-4-18-15-30-24(31-16-18)32(17-20-6-5-7-22(14-20)36-26(27,28)29)13-12-19-8-10-21(11-9-19)35-25(2,3)23(33)34/h5-11,14-16H,4,12-13,17H2,1-3H3,(H,33,34)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2cc(F)cc(F)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][=N][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][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C25H27F2N3O3/c1-4-17-14-28-24(29-15-17)30(16-19-11-20(26)13-21(27)12-19)10-9-18-5-7-22(8-6-18)33-25(2,3)23(31)32/h5-8,11-15H,4,9-10,16H2,1-3H3,(H,31,32)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(F)cc2C(F)(F)F)nc1
SELFIES: [C][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][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring2][Ring2][C]
InChI: InChI=1S/C26H27F4N3O3/c1-4-17-14-31-24(32-15-17)33(16-19-7-8-20(27)13-22(19)26(28,29)30)12-11-18-5-9-21(10-6-18)36-25(2,3)23(34)35/h5-10,13-15H,4,11-12,16H2,1-3H3,(H,34,35)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][O][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][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][N][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C27H27F6N3O3/c1-4-17-14-34-24(35-15-17)36(10-9-18-5-7-22(8-6-18)39-25(2,3)23(37)38)16-19-11-20(26(28,29)30)13-21(12-19)27(31,32)33/h5-8,11-15H,4,9-10,16H2,1-3H3,(H,37,38)
SMILES: CCc1ccc(CN(CCc2ccc(OC(C)(C)C(=O)O)cc2)c2ncc(CC)cn2)cc1
SELFIES: [C][C][C][=C][C][=C][Branch2][Ring2][O][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][C][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C27H33N3O3/c1-5-20-7-9-23(10-8-20)19-30(26-28-17-21(6-2)18-29-26)16-15-22-11-13-24(14-12-22)33-27(3,4)25(31)32/h7-14,17-18H,5-6,15-16,19H2,1-4H3,(H,31,32)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C#N)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][O][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][Ring1][C][#N][C][=C][Ring1][Branch2][N][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C26H28N4O3/c1-4-19-16-28-25(29-17-19)30(18-22-7-5-21(15-27)6-8-22)14-13-20-9-11-23(12-10-20)33-26(2,3)24(31)32/h5-12,16-17H,4,13-14,18H2,1-3H3,(H,31,32)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2cccc(C)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#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][C][Branch1][C][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C26H31N3O3/c1-5-20-16-27-25(28-17-20)29(18-22-8-6-7-19(2)15-22)14-13-21-9-11-23(12-10-21)32-26(3,4)24(30)31/h6-12,15-17H,5,13-14,18H2,1-4H3,(H,30,31)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(F)cc2Cl)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][O][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][C][F][C][=C][Ring1][#Branch1][Cl][N][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C25H27ClFN3O3/c1-4-17-14-28-24(29-15-17)30(16-19-7-8-20(27)13-22(19)26)12-11-18-5-9-21(10-6-18)33-25(2,3)23(31)32/h5-10,13-15H,4,11-12,16H2,1-3H3,(H,31,32)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(Br)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#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][C][Br][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H28BrN3O3/c1-4-18-15-27-24(28-16-18)29(17-20-5-9-21(26)10-6-20)14-13-19-7-11-22(12-8-19)32-25(2,3)23(30)31/h5-12,15-16H,4,13-14,17H2,1-3H3,(H,30,31)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccccc2C#N)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][=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][C][=C][Ring1][=Branch1][C][#N][N][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C26H28N4O3/c1-4-19-16-28-25(29-17-19)30(18-22-8-6-5-7-21(22)15-27)14-13-20-9-11-23(12-10-20)33-26(2,3)24(31)32/h5-12,16-17H,4,13-14,18H2,1-3H3,(H,31,32)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccccc2C)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][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][C][=C][Ring1][=Branch1][C][N][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C26H31N3O3/c1-5-20-16-27-25(28-17-20)29(18-22-9-7-6-8-19(22)2)15-14-21-10-12-23(13-11-21)32-26(3,4)24(30)31/h6-13,16-17H,5,14-15,18H2,1-4H3,(H,30,31)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(Cl)c(Cl)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][=N][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][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C25H27Cl2N3O3/c1-4-17-14-28-24(29-15-17)30(16-19-7-10-21(26)22(27)13-19)12-11-18-5-8-20(9-6-18)33-25(2,3)23(31)32/h5-10,13-15H,4,11-12,16H2,1-3H3,(H,31,32)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccccc2-c2ccccc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#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][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C31H33N3O3/c1-4-23-20-32-30(33-21-23)34(22-26-12-8-9-13-28(26)25-10-6-5-7-11-25)19-18-24-14-16-27(17-15-24)37-31(2,3)29(35)36/h5-17,20-21H,4,18-19,22H2,1-3H3,(H,35,36)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(Cl)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#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][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H28ClN3O3/c1-4-18-15-27-24(28-16-18)29(17-20-5-9-21(26)10-6-20)14-13-19-7-11-22(12-8-19)32-25(2,3)23(30)31/h5-12,15-16H,4,13-14,17H2,1-3H3,(H,30,31)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccccc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#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][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C25H29N3O3/c1-4-19-16-26-24(27-17-19)28(18-21-8-6-5-7-9-21)15-14-20-10-12-22(13-11-20)31-25(2,3)23(29)30/h5-13,16-17H,4,14-15,18H2,1-3H3,(H,29,30)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccccc2OC(F)(F)F)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][S][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][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring2][Ring2][C]
InChI: InChI=1S/C26H28F3N3O4/c1-4-18-15-30-24(31-16-18)32(17-20-7-5-6-8-22(20)36-26(27,28)29)14-13-19-9-11-21(12-10-19)35-25(2,3)23(33)34/h5-12,15-16H,4,13-14,17H2,1-3H3,(H,33,34)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2cccc(C(F)(F)F)c2)nc1
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][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][=C][Ring2][Ring1][P]
InChI: InChI=1S/C26H28F3N3O3/c1-4-18-15-30-24(31-16-18)32(17-20-6-5-7-21(14-20)26(27,28)29)13-12-19-8-10-22(11-9-19)35-25(2,3)23(33)34/h5-11,14-16H,4,12-13,17H2,1-3H3,(H,33,34)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccccc2C(F)(F)F)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#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][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring2][Ring1][P]
InChI: InChI=1S/C26H28F3N3O3/c1-4-18-15-30-24(31-16-18)32(17-20-7-5-6-8-22(20)26(27,28)29)14-13-19-9-11-21(12-10-19)35-25(2,3)23(33)34/h5-12,15-16H,4,13-14,17H2,1-3H3,(H,33,34)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#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][C][F][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H28FN3O3/c1-4-18-15-27-24(28-16-18)29(17-20-5-9-21(26)10-6-20)14-13-19-7-11-22(12-8-19)32-25(2,3)23(30)31/h5-12,15-16H,4,13-14,17H2,1-3H3,(H,30,31)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2cccc(Cl)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#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][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H28ClN3O3/c1-4-18-15-27-24(28-16-18)29(17-20-6-5-7-21(26)14-20)13-12-19-8-10-22(11-9-19)32-25(2,3)23(30)31/h5-11,14-16H,4,12-13,17H2,1-3H3,(H,30,31)