EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(Oc1cccc(CCCN(Cc2ccc(C(F)(F)F)cc2)c2noc(C3CC3)n2)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][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][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H28F3N3O4/c1-25(2,23(33)34)35-21-7-3-5-17(15-21)6-4-14-32(24-30-22(36-31-24)19-10-11-19)16-18-8-12-20(13-9-18)26(27,28)29/h3,5,7-9,12-13,15,19H,4,6,10-11,14,16H2,1-2H3,(H,33,34)
SMILES: CC(C)(Oc1cccc(CCCN(Cc2ccc(C(F)(F)F)cc2)c2noc(C3CCC3)n2)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][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][#Branch1][C][C][C][C][Ring1][Ring2][=N][Ring1][=Branch2][=C][Ring2][Ring1][=C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H30F3N3O4/c1-26(2,24(34)35)36-22-10-3-6-18(16-22)7-5-15-33(25-31-23(37-32-25)20-8-4-9-20)17-19-11-13-21(14-12-19)27(28,29)30/h3,6,10-14,16,20H,4-5,7-9,15,17H2,1-2H3,(H,34,35)
SMILES: CC(C)(Oc1cccc(CCCN(Cc2ccc(C(F)(F)F)cc2)c2noc(C3CCCC3)n2)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][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][Ring1][Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C28H32F3N3O4/c1-27(2,25(35)36)37-23-11-5-7-19(17-23)8-6-16-34(18-20-12-14-22(15-13-20)28(29,30)31)26-32-24(38-33-26)21-9-3-4-10-21/h5,7,11-15,17,21H,3-4,6,8-10,16,18H2,1-2H3,(H,35,36)
SMILES: CC(C)(Oc1cccc(CCCN(Cc2ccc(C(F)(F)F)cc2)c2noc(CC3CCCC3)n2)c1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][O][C][=C][C][=C][C][Branch2][Ring2][N][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][=Branch2][C][C][C][C][C][C][Ring1][Branch1][=N][Ring1][O][=C][Ring2][Ring1][S][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H34F3N3O4/c1-28(2,26(36)37)38-24-11-5-9-20(17-24)10-6-16-35(19-22-12-14-23(15-13-22)29(30,31)32)27-33-25(39-34-27)18-21-7-3-4-8-21/h5,9,11-15,17,21H,3-4,6-8,10,16,18-19H2,1-2H3,(H,36,37)
SMILES: Cc1nc(N(CCCc2cccc(OC(C)(C)C(=O)O)c2)Cc2ccc(C(F)(F)F)cc2)no1
SELFIES: [C][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/C24H26F3N3O4/c1-16-28-22(29-34-16)30(15-18-9-11-19(12-10-18)24(25,26)27)13-5-7-17-6-4-8-20(14-17)33-23(2,3)21(31)32/h4,6,8-12,14H,5,7,13,15H2,1-3H3,(H,31,32)
SMILES: CCCc1nc(N(CCCc2cccc(OC(C)(C)C(=O)O)c2)Cc2ccc(C(F)(F)F)cc2)no1
SELFIES: [C][C][C][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/C26H30F3N3O4/c1-4-7-22-30-24(31-36-22)32(17-19-11-13-20(14-12-19)26(27,28)29)15-6-9-18-8-5-10-21(16-18)35-25(2,3)23(33)34/h5,8,10-14,16H,4,6-7,9,15,17H2,1-3H3,(H,33,34)
SMILES: CCCCc1nc(N(CCCc2cccc(OC(C)(C)C(=O)O)c2)Cc2ccc(C(F)(F)F)cc2)no1
SELFIES: [C][C][C][C][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/C27H32F3N3O4/c1-4-5-11-23-31-25(32-37-23)33(18-20-12-14-21(15-13-20)27(28,29)30)16-7-9-19-8-6-10-22(17-19)36-26(2,3)24(34)35/h6,8,10,12-15,17H,4-5,7,9,11,16,18H2,1-3H3,(H,34,35)
SMILES: CC(C)c1nc(N(CCCc2cccc(OC(C)(C)C(=O)O)c2)Cc2ccc(C(F)(F)F)cc2)no1
SELFIES: [C][C][Branch1][C][C][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/C26H30F3N3O4/c1-17(2)22-30-24(31-36-22)32(16-19-10-12-20(13-11-19)26(27,28)29)14-6-8-18-7-5-9-21(15-18)35-25(3,4)23(33)34/h5,7,9-13,15,17H,6,8,14,16H2,1-4H3,(H,33,34)
SMILES: CC(C)Cc1nc(N(CCCc2cccc(OC(C)(C)C(=O)O)c2)Cc2ccc(C(F)(F)F)cc2)no1
SELFIES: [C][C][Branch1][C][C][C][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/C27H32F3N3O4/c1-18(2)15-23-31-25(32-37-23)33(17-20-10-12-21(13-11-20)27(28,29)30)14-6-8-19-7-5-9-22(16-19)36-26(3,4)24(34)35/h5,7,9-13,16,18H,6,8,14-15,17H2,1-4H3,(H,34,35)
SMILES: CC(C)(Oc1cccc(CCCN(Cc2ccc(C(F)(F)F)cc2)c2noc(C(C)(C)C)n2)c1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][O][C][=C][C][=C][C][Branch2][Ring2][N][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][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][=Branch2][=C][Ring2][Ring1][=C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H32F3N3O4/c1-25(2,3)22-31-24(32-37-22)33(17-19-11-13-20(14-12-19)27(28,29)30)15-7-9-18-8-6-10-21(16-18)36-26(4,5)23(34)35/h6,8,10-14,16H,7,9,15,17H2,1-5H3,(H,34,35)
SMILES: CC(C)(Oc1cccc(CCCN(Cc2ccc(C(F)(F)F)cc2)c2noc(-c3ccco3)n2)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][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][O][Ring1][Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H26F3N3O5/c1-26(2,24(34)35)37-21-8-3-6-18(16-21)7-4-14-33(17-19-10-12-20(13-11-19)27(28,29)30)25-31-23(38-32-25)22-9-5-15-36-22/h3,5-6,8-13,15-16H,4,7,14,17H2,1-2H3,(H,34,35)
SMILES: Cc1nc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(-c3noc(C4CC4)n3)cc2)no1
SELFIES: [C][C][=N][C][Branch2][Branch1][#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][#C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][Ring1][=C][=N][O][Ring2][Ring2][Ring2]
InChI: InChI=1S/C27H29N5O5/c1-17-28-26(31-36-17)32(15-14-18-6-12-22(13-7-18)35-27(2,3)25(33)34)16-19-4-8-20(9-5-19)23-29-24(37-30-23)21-10-11-21/h4-9,12-13,21H,10-11,14-16H2,1-3H3,(H,33,34)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2noc(C3CC3)n2)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][#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][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][Ring2][Ring1][S][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H31N5O5/c1-29(2,27(35)36)37-23-13-5-18(6-14-23)15-16-34(28-31-26(39-33-28)22-11-12-22)17-19-3-7-20(8-4-19)24-30-25(38-32-24)21-9-10-21/h3-8,13-14,21-22H,9-12,15-17H2,1-2H3,(H,35,36)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2noc(-c3cccs3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=N][O][C][=C][C][=C][Branch2][Ring2][S][C][C][N][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][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring2][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C30H29N5O5S/c1-30(2,28(36)37)38-23-13-7-19(8-14-23)15-16-35(29-32-27(40-34-29)24-4-3-17-41-24)18-20-5-9-21(10-6-20)25-31-26(39-33-25)22-11-12-22/h3-10,13-14,17,22H,11-12,15-16,18H2,1-2H3,(H,36,37)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2ncon2)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][#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][O][N][=Ring1][Branch1][C][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H27N5O5/c1-26(2,24(32)33)35-21-11-5-17(6-12-21)13-14-31(25-27-16-34-30-25)15-18-3-7-19(8-4-18)22-28-23(36-29-22)20-9-10-20/h3-8,11-12,16,20H,9-10,13-15H2,1-2H3,(H,32,33)
SMILES: CCCCc1nc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(-c3noc(C4CC4)n3)cc2)no1
SELFIES: [C][C][C][C][C][=N][C][Branch2][Branch1][#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][#C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][Ring1][=C][=N][O][Ring2][Ring2][Ring2]
InChI: InChI=1S/C30H35N5O5/c1-4-5-6-25-31-29(34-39-25)35(18-17-20-9-15-24(16-10-20)38-30(2,3)28(36)37)19-21-7-11-22(12-8-21)26-32-27(40-33-26)23-13-14-23/h7-12,15-16,23H,4-6,13-14,17-19H2,1-3H3,(H,36,37)
SMILES: CC(C)Cc1nc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(-c3noc(C4CC4)n3)cc2)no1
SELFIES: [C][C][Branch1][C][C][C][C][=N][C][Branch2][Branch1][#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][#C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][Ring1][=C][=N][O][Ring2][Ring2][Ring2]
InChI: InChI=1S/C30H35N5O5/c1-19(2)17-25-31-29(34-39-25)35(16-15-20-7-13-24(14-8-20)38-30(3,4)28(36)37)18-21-5-9-22(10-6-21)26-32-27(40-33-26)23-11-12-23/h5-10,13-14,19,23H,11-12,15-18H2,1-4H3,(H,36,37)
SMILES: CC(C)CCc1nc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(-c3noc(C4CC4)n3)cc2)no1
SELFIES: [C][C][Branch1][C][C][C][C][C][=N][C][Branch2][Branch1][#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][#C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][Ring1][=C][=N][O][Ring2][Ring2][Ring2]
InChI: InChI=1S/C31H37N5O5/c1-20(2)5-16-26-32-30(35-40-26)36(18-17-21-8-14-25(15-9-21)39-31(3,4)29(37)38)19-22-6-10-23(11-7-22)27-33-28(41-34-27)24-12-13-24/h6-11,14-15,20,24H,5,12-13,16-19H2,1-4H3,(H,37,38)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2noc(CC3CCCC3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=C][O][C][=C][C][=C][Branch2][Ring2][P][C][C][N][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][O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][=N][Ring1][O][C][=C][Ring2][Ring2][Ring1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C32H37N5O5/c1-32(2,30(38)39)40-26-15-9-21(10-16-26)17-18-37(31-33-27(41-36-31)19-22-5-3-4-6-22)20-23-7-11-24(12-8-23)28-34-29(42-35-28)25-13-14-25/h7-12,15-16,22,25H,3-6,13-14,17-20H2,1-2H3,(H,38,39)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2noc(-c3ccc(Cl)cc3)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][#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][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C32H30ClN5O5/c1-32(2,30(39)40)41-26-15-5-20(6-16-26)17-18-38(31-35-29(43-37-31)24-11-13-25(33)14-12-24)19-21-3-7-22(8-4-21)27-34-28(42-36-27)23-9-10-23/h3-8,11-16,23H,9-10,17-19H2,1-2H3,(H,39,40)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2noc(-c3cccc(Cl)c3)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][#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][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C32H30ClN5O5/c1-32(2,30(39)40)41-26-14-8-20(9-15-26)16-17-38(31-35-29(43-37-31)24-4-3-5-25(33)18-24)19-21-6-10-22(11-7-21)27-34-28(42-36-27)23-12-13-23/h3-11,14-15,18,23H,12-13,16-17,19H2,1-2H3,(H,39,40)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2noc(-c3ccccc3F)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][#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][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N][C][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C32H30FN5O5/c1-32(2,30(39)40)41-24-15-9-20(10-16-24)17-18-38(31-35-29(43-37-31)25-5-3-4-6-26(25)33)19-21-7-11-22(12-8-21)27-34-28(42-36-27)23-13-14-23/h3-12,15-16,23H,13-14,17-19H2,1-2H3,(H,39,40)
SMILES: Cc1ccccc1-c1nc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(-c3noc(C4CC4)n3)cc2)no1
SELFIES: [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch2][Branch1][#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][#C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][Ring1][=C][=N][O][Ring2][Ring2][Ring2]
InChI: InChI=1S/C33H33N5O5/c1-21-6-4-5-7-27(21)30-35-32(37-43-30)38(19-18-22-10-16-26(17-11-22)41-33(2,3)31(39)40)20-23-8-12-24(13-9-23)28-34-29(42-36-28)25-14-15-25/h4-13,16-17,25H,14-15,18-20H2,1-3H3,(H,39,40)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2noc(-c3cccc(C(F)(F)F)c3)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][#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][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][#Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C33H30F3N5O5/c1-32(2,30(42)43)44-26-14-8-20(9-15-26)16-17-41(31-38-29(46-40-31)24-4-3-5-25(18-24)33(34,35)36)19-21-6-10-22(11-7-21)27-37-28(45-39-27)23-12-13-23/h3-11,14-15,18,23H,12-13,16-17,19H2,1-2H3,(H,42,43)
SMILES: Cc1ccc(-c2nc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(-c4noc(C5CC5)n4)cc3)no2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][=Branch1][C][C][=N][C][Branch2][Branch1][#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][#C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][Ring1][=C][=N][O][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][#Branch2]
InChI: InChI=1S/C33H33N5O5/c1-21-4-10-25(11-5-21)30-35-32(37-43-30)38(19-18-22-8-16-27(17-9-22)41-33(2,3)31(39)40)20-23-6-12-24(13-7-23)28-34-29(42-36-28)26-14-15-26/h4-13,16-17,26H,14-15,18-20H2,1-3H3,(H,39,40)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2noc(-c3ccc(Cl)c(Cl)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][#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][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring1][=N][C][=C][Ring2][Ring2][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C32H29Cl2N5O5/c1-32(2,30(40)41)42-24-12-5-19(6-13-24)15-16-39(31-36-29(44-38-31)23-11-14-25(33)26(34)17-23)18-20-3-7-21(8-4-20)27-35-28(43-37-27)22-9-10-22/h3-8,11-14,17,22H,9-10,15-16,18H2,1-2H3,(H,40,41)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2noc(-c3ccccn3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=C][O][C][=C][C][=C][Branch2][Ring2][P][C][C][N][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][O][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring2][Ring1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C31H30N6O5/c1-31(2,29(38)39)40-24-14-8-20(9-15-24)16-18-37(30-34-28(42-36-30)25-5-3-4-17-32-25)19-21-6-10-22(11-7-21)26-33-27(41-35-26)23-12-13-23/h3-11,14-15,17,23H,12-13,16,18-19H2,1-2H3,(H,38,39)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2noc(-c3ccc(C(F)(F)F)c(F)c3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][=Branch1][N][O][C][=C][C][=C][Branch2][Branch1][#C][C][C][N][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][O][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][=C][Ring1][O][=N][Ring1][S][C][=C][Ring2][Ring2][Branch2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C33H29F4N5O5/c1-32(2,30(43)44)45-24-12-5-19(6-13-24)15-16-42(18-20-3-7-21(8-4-20)27-38-28(46-40-27)22-9-10-22)31-39-29(47-41-31)23-11-14-25(26(34)17-23)33(35,36)37/h3-8,11-14,17,22H,9-10,15-16,18H2,1-2H3,(H,43,44)
SMILES: Cc1cccc(-c2nc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(-c4noc(C5CC5)n4)cc3)no2)c1
SELFIES: [C][C][=C][C][=C][C][Branch2][=Branch1][C][C][=N][C][Branch2][Branch1][#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][#C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][Ring1][=C][=N][O][Ring2][Ring2][Ring2][=C][Ring2][Ring2][#Branch2]
InChI: InChI=1S/C33H33N5O5/c1-21-5-4-6-26(19-21)30-35-32(37-43-30)38(18-17-22-9-15-27(16-10-22)41-33(2,3)31(39)40)20-23-7-11-24(12-8-23)28-34-29(42-36-28)25-13-14-25/h4-12,15-16,19,25H,13-14,17-18,20H2,1-3H3,(H,39,40)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2noc(C3CCCC3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=N][O][C][=C][C][=C][Branch2][Ring2][S][C][C][N][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][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring2][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C31H35N5O5/c1-31(2,29(37)38)39-25-15-9-20(10-16-25)17-18-36(30-33-28(41-35-30)23-5-3-4-6-23)19-21-7-11-22(12-8-21)26-32-27(40-34-26)24-13-14-24/h7-12,15-16,23-24H,3-6,13-14,17-19H2,1-2H3,(H,37,38)
SMILES: CC(C)c1nc(-c2ccc(CN(CCc3ccc(OC(C)(C)C(=O)O)cc3)c3noc(-c4ccc(Cl)cc4)n3)cc2)no1
SELFIES: [C][C][Branch1][C][C][C][=N][C][Branch2][Branch1][#C][C][=C][C][=C][Branch2][Branch1][Ring1][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][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring2][Ring1][=N][O][Ring2][Ring2][Branch2]
InChI: InChI=1S/C32H32ClN5O5/c1-20(2)28-34-27(36-42-28)23-9-5-22(6-10-23)19-38(31-35-29(43-37-31)24-11-13-25(33)14-12-24)18-17-21-7-15-26(16-8-21)41-32(3,4)30(39)40/h5-16,20H,17-19H2,1-4H3,(H,39,40)
SMILES: CC(C)c1nc(-c2ccc(CN(CCc3ccc(OC(C)(C)C(=O)O)cc3)c3noc(-c4ccc(C(F)(F)F)cc4)n3)cc2)no1
SELFIES: [C][C][Branch1][C][C][C][=N][C][Branch2][=Branch1][#Branch1][C][=C][C][=C][Branch2][Branch1][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][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][=N][O][Ring2][Ring2][O]
InChI: InChI=1S/C33H32F3N5O5/c1-20(2)28-37-27(39-45-28)23-9-5-22(6-10-23)19-41(18-17-21-7-15-26(16-8-21)44-32(3,4)30(42)43)31-38-29(46-40-31)24-11-13-25(14-12-24)33(34,35)36/h5-16,20H,17-19H2,1-4H3,(H,42,43)
SMILES: CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)C(N)=S)cc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][#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][Branch1][C][N][=S][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C23H27F3N2O3S/c1-4-30-20(29)22(2,3)31-19-11-7-16(8-12-19)13-14-28(21(27)32)15-17-5-9-18(10-6-17)23(24,25)26/h5-12H,4,13-15H2,1-3H3,(H2,27,32)
SMILES: CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C(N)=S)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][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][Branch1][C][N][=S][C][=C][Ring2][Ring1][O]
InChI: InChI=1S/C24H26F6N2O3S/c1-4-34-20(33)22(2,3)35-18-9-5-15(6-10-18)11-12-32(21(31)36)14-16-7-8-17(23(25,26)27)13-19(16)24(28,29)30/h5-10,13H,4,11-12,14H2,1-3H3,(H2,31,36)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2nc(-c3cccc(Cl)c3)cs2)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][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][S][Ring1][N][C][=C][Ring2][Ring1][S][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H26ClF3N2O3S/c1-28(2,26(36)37)38-24-12-8-19(9-13-24)14-15-35(17-20-6-10-22(11-7-20)29(31,32)33)27-34-25(18-39-27)21-4-3-5-23(30)16-21/h3-13,16,18H,14-15,17H2,1-2H3,(H,36,37)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2nc(C(F)(F)F)cs2)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][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][O]
InChI: InChI=1S/C24H22F6N2O3S/c1-22(2,20(33)34)35-18-9-5-15(6-10-18)11-12-32(21-31-19(14-36-21)24(28,29)30)13-16-3-7-17(8-4-16)23(25,26)27/h3-10,14H,11-13H2,1-2H3,(H,33,34)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2nc(-c3ccccc3Cl)cs2)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][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][S][Ring1][N][C][=C][Ring2][Ring1][S][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H26ClF3N2O3S/c1-28(2,26(36)37)38-22-13-9-19(10-14-22)15-16-35(17-20-7-11-21(12-8-20)29(31,32)33)27-34-25(18-39-27)23-5-3-4-6-24(23)30/h3-14,18H,15-17H2,1-2H3,(H,36,37)