EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)c(OCC(=O)N(CC)CC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Branch1][Ring1][C][=C][C][Branch2][Ring2][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=C][O][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][Ring1][P][=C][C][=C][Ring2][Ring1][O][O][C][C][=N][N][Ring2][Ring2][=Branch2][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H38N6O7S/c1-7-11-26-31-19(5)28-30(38)32-29(33-36(26)28)22-17-21(13-15-23(22)42-10-4)44(39,40)34-20-12-14-24(41-6)25(16-20)43-18-27(37)35(8-2)9-3/h12-17,34H,7-11,18H2,1-6H3,(H,32,33,38)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)c(OCCCC(=O)OCC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][P][C][=C][C][Branch2][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][N][O][C][C][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][P][=C][C][=C][Ring2][Ring1][O][O][C][C][=N][N][Ring2][Ring2][=Branch2][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H37N5O8S/c1-6-10-26-31-19(4)28-30(37)32-29(33-35(26)28)22-18-21(13-15-23(22)41-7-2)44(38,39)34-20-12-14-24(40-5)25(17-20)43-16-9-11-27(36)42-8-3/h12-15,17-18,34H,6-11,16H2,1-5H3,(H,32,33,37)
SMILES: CCCCCOc1cc(NS(=O)(=O)c2ccc(OCC)c(-c3nn4c(CCC)nc(C)c4c(=O)[nH]3)c2)ccc1OC
SELFIES: [C][C][C][C][C][O][C][=C][C][Branch2][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch2][Ring1][=Branch2][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C][=C][Ring2][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][P][O][C]
InChI: InChI=1S/C29H37N5O6S/c1-6-9-10-16-40-25-17-20(12-14-24(25)38-5)33-41(36,37)21-13-15-23(39-8-3)22(18-21)28-31-29(35)27-19(4)30-26(11-7-2)34(27)32-28/h12-15,17-18,33H,6-11,16H2,1-5H3,(H,31,32,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OCC(C)c5ccccc5)c(OC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Branch1][Branch1][C][=C][C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][O][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][N][O][C][C][=N][N][Ring2][Ring2][#Branch2][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C33H37N5O6S/c1-6-11-30-34-22(4)31-33(39)35-32(36-38(30)31)26-19-25(15-17-27(26)43-7-2)45(40,41)37-24-14-16-28(29(18-24)42-5)44-20-21(3)23-12-9-8-10-13-23/h8-10,12-19,21,37H,6-7,11,20H2,1-5H3,(H,35,36,39)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OCC(C)C)c(OC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=N][C][=C][C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring1][=N][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C28H35N5O6S/c1-7-9-25-29-18(5)26-28(34)30-27(31-33(25)26)21-15-20(11-13-22(21)38-8-2)40(35,36)32-19-10-12-23(24(14-19)37-6)39-16-17(3)4/h10-15,17,32H,7-9,16H2,1-6H3,(H,30,31,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OCC(CC)CC)c(OC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][#C][C][=C][C][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][C][Branch1][Ring1][C][C][C][C][C][Branch1][Ring1][O][C][=C][Ring1][#C][=C][C][=C][Ring2][Ring1][=Branch2][O][C][C][=N][N][Ring2][Ring2][#Branch1][Ring2][Ring2][Ring1]
InChI: InChI=1S/C30H39N5O6S/c1-7-11-27-31-19(5)28-30(36)32-29(33-35(27)28)23-17-22(13-15-24(23)40-10-4)42(37,38)34-21-12-14-25(26(16-21)39-6)41-18-20(8-2)9-3/h12-17,20,34H,7-11,18H2,1-6H3,(H,32,33,36)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OCC5CCC5)c(OC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=C][C][=C][C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Ring2][C][Branch1][Ring1][O][C][=C][Ring1][=C][=C][C][=C][Ring2][Ring1][Branch2][O][C][C][=N][N][Ring2][Ring2][=Branch1][Ring2][Ring2][C]
InChI: InChI=1S/C29H35N5O6S/c1-5-8-26-30-18(3)27-29(35)31-28(32-34(26)27)22-16-21(12-14-23(22)39-6-2)41(36,37)33-20-11-13-24(25(15-20)38-4)40-17-19-9-7-10-19/h11-16,19,33H,5-10,17H2,1-4H3,(H,31,32,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OCc5ccc(OC)cc5)c(OC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Branch1][Branch1][C][=C][C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][N][O][C][C][=N][N][Ring2][Ring2][#Branch2][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C32H35N5O7S/c1-6-8-29-33-20(3)30-32(38)34-31(35-37(29)30)25-18-24(14-16-26(25)43-7-2)45(39,40)36-22-11-15-27(28(17-22)42-5)44-19-21-9-12-23(41-4)13-10-21/h9-18,36H,6-8,19H2,1-5H3,(H,34,35,38)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OCC(N)=O)c(OC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=N][C][=C][C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][Branch1][Ring1][O][C][=C][Ring1][=N][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C26H30N6O7S/c1-5-7-23-28-15(3)24-26(34)29-25(30-32(23)24)18-13-17(9-11-19(18)38-6-2)40(35,36)31-16-8-10-20(21(12-16)37-4)39-14-22(27)33/h8-13,31H,5-7,14H2,1-4H3,(H2,27,33)(H,29,30,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OCc5cccc(OC)c5)c(OC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Branch1][Branch1][C][=C][C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][O][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][N][O][C][C][=N][N][Ring2][Ring2][#Branch2][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C32H35N5O7S/c1-6-9-29-33-20(3)30-32(38)34-31(35-37(29)30)25-18-24(13-15-26(25)43-7-2)45(39,40)36-22-12-14-27(28(17-22)42-5)44-19-21-10-8-11-23(16-21)41-4/h8,10-18,36H,6-7,9,19H2,1-5H3,(H,34,35,38)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OCCC(C)C)c(OC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=C][C][=C][C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][O][C][C][C][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring1][=C][=C][C][=C][Ring2][Ring1][Branch2][O][C][C][=N][N][Ring2][Ring2][=Branch1][Ring2][Ring2][C]
InChI: InChI=1S/C29H37N5O6S/c1-7-9-26-30-19(5)27-29(35)31-28(32-34(26)27)22-17-21(11-13-23(22)39-8-2)41(36,37)33-20-10-12-24(25(16-20)38-6)40-15-14-18(3)4/h10-13,16-18,33H,7-9,14-15H2,1-6H3,(H,31,32,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OCC5CCCCO5)c(OC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][S][C][=C][C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][O][C][C][C][C][C][C][O][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][S][=C][C][=C][Ring2][Ring1][#Branch2][O][C][C][=N][N][Ring2][Ring2][Branch2][Ring2][Ring2][Ring2]
InChI: InChI=1S/C30H37N5O7S/c1-5-9-27-31-19(3)28-30(36)32-29(33-35(27)28)23-17-22(12-14-24(23)40-6-2)43(37,38)34-20-11-13-25(26(16-20)39-4)42-18-21-10-7-8-15-41-21/h11-14,16-17,21,34H,5-10,15,18H2,1-4H3,(H,32,33,36)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OCCOC)c(OC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][O][C][=C][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][O][C][C][O][C][C][Branch1][Ring1][O][C][=C][Ring1][=N][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C27H33N5O7S/c1-6-8-24-28-17(3)25-27(33)29-26(30-32(24)25)20-16-19(10-12-21(20)38-7-2)40(34,35)31-18-9-11-22(23(15-18)37-5)39-14-13-36-4/h9-12,15-16,31H,6-8,13-14H2,1-5H3,(H,29,30,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OCC5CC5)c(OC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=N][C][=C][C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][Branch1][Ring1][O][C][=C][Ring1][=N][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C28H33N5O6S/c1-5-7-25-29-17(3)26-28(34)30-27(31-33(25)26)21-15-20(11-13-22(21)38-6-2)40(35,36)32-19-10-12-23(24(14-19)37-4)39-16-18-8-9-18/h10-15,18,32H,5-9,16H2,1-4H3,(H,30,31,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC5CCOC5=O)c(OC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][#C][C][=C][C][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][O][C][Ring1][Branch1][=O][C][Branch1][Ring1][O][C][=C][Ring1][#C][=C][C][=C][Ring2][Ring1][=Branch2][O][C][C][=N][N][Ring2][Ring2][#Branch1][Ring2][Ring2][Ring1]
InChI: InChI=1S/C28H31N5O8S/c1-5-7-24-29-16(3)25-27(34)30-26(31-33(24)25)19-15-18(9-11-20(19)39-6-2)42(36,37)32-17-8-10-21(23(14-17)38-4)41-22-12-13-40-28(22)35/h8-11,14-15,22,32H,5-7,12-13H2,1-4H3,(H,30,31,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OCC(=O)OC(C)(C)C)c(OC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Branch1][Branch1][C][=C][C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring1][P][=C][C][=C][Ring2][Ring1][O][O][C][C][=N][N][Ring2][Ring2][=Branch2][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H37N5O8S/c1-8-10-25-31-18(3)27-29(37)32-28(33-35(25)27)21-16-20(12-14-22(21)41-9-2)44(38,39)34-19-11-13-23(24(15-19)40-7)42-17-26(36)43-30(4,5)6/h11-16,34H,8-10,17H2,1-7H3,(H,32,33,37)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OCCOCc5ccccc5)c(OC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Branch1][Ring2][C][=C][C][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][=C][C][=C][Ring2][Ring1][=N][O][C][C][=N][N][Ring2][Ring2][O][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C33H37N5O7S/c1-5-10-30-34-22(3)31-33(39)35-32(36-38(30)31)26-20-25(14-16-27(26)44-6-2)46(40,41)37-24-13-15-28(29(19-24)42-4)45-18-17-43-21-23-11-8-7-9-12-23/h7-9,11-16,19-20,37H,5-6,10,17-18,21H2,1-4H3,(H,35,36,39)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC(C)C)c(OC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][N][C][=C][C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][S]
InChI: InChI=1S/C27H33N5O6S/c1-7-9-24-28-17(5)25-27(33)29-26(30-32(24)25)20-15-19(11-13-21(20)37-8-2)39(34,35)31-18-10-12-22(38-16(3)4)23(14-18)36-6/h10-16,31H,7-9H2,1-6H3,(H,29,30,33)
SMILES: CCCCN(CC)C(=O)COc1ccc(NS(=O)(=O)c2ccc(OCC)c(-c3nn4c(CCC)nc(C)c4c(=O)[nH]3)c2)cc1OC
SELFIES: [C][C][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch2][Ring1][=Branch2][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][P][O][C]
InChI: InChI=1S/C32H42N6O7S/c1-7-11-17-37(9-3)29(39)20-45-26-15-13-22(18-27(26)43-6)36-46(41,42)23-14-16-25(44-10-4)24(19-23)31-34-32(40)30-21(5)33-28(12-8-2)38(30)35-31/h13-16,18-19,36H,7-12,17,20H2,1-6H3,(H,34,35,40)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OCC(=O)N5CCCC5)c(OC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Branch1][Ring1][C][=C][C][Branch2][Ring2][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][Ring1][O][C][=C][Ring1][P][=C][C][=C][Ring2][Ring1][O][O][C][C][=N][N][Ring2][Ring2][=Branch2][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H36N6O7S/c1-5-9-26-31-19(3)28-30(38)32-29(33-36(26)28)22-17-21(11-13-23(22)42-6-2)44(39,40)34-20-10-12-24(25(16-20)41-4)43-18-27(37)35-14-7-8-15-35/h10-13,16-17,34H,5-9,14-15,18H2,1-4H3,(H,32,33,38)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OCC(=O)[C@]56C[C@H]7C[C@H](C[C@H](C7)C5)C6)c(OC)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][=Branch1][C][C][=C][C][Branch2][Branch1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][O][C][C][=Branch1][C][=O][C@][C][C@H1][C][C@H1][Branch1][O][C][C@H1][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][S][O][C][C][=N][N][Ring2][Ring2][=C][Ring2][Ring2][#Branch2]
InChI: InChI=1S/C36H43N5O7S/c1-5-7-32-37-21(3)33-35(43)38-34(39-41(32)33)27-16-26(9-11-28(27)47-6-2)49(44,45)40-25-8-10-29(30(15-25)46-4)48-20-31(42)36-17-22-12-23(18-36)14-24(13-22)19-36/h8-11,15-16,22-24,40H,5-7,12-14,17-20H2,1-4H3,(H,38,39,43)/t22-,23+,24-,36-
SMILES: CCCCCOc1ccc(NS(=O)(=O)c2ccc(OCC)c(-c3nn4c(CCC)nc(C)c4c(=O)[nH]3)c2)cc1OC
SELFIES: [C][C][C][C][C][O][C][=C][C][=C][Branch2][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch2][Ring1][=Branch2][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][P][O][C]
InChI: InChI=1S/C29H37N5O6S/c1-6-9-10-16-40-24-14-12-20(17-25(24)38-5)33-41(36,37)21-13-15-23(39-8-3)22(18-21)28-31-29(35)27-19(4)30-26(11-7-2)34(27)32-28/h12-15,17-18,33H,6-11,16H2,1-5H3,(H,31,32,35)
SMILES: CCCOc1ccc(NS(=O)(=O)c2ccc(OCC)c(-c3nn4c(CCC)nc(C)c4c(=O)[nH]3)c2)cc1OC
SELFIES: [C][C][C][O][C][=C][C][=C][Branch2][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch2][Ring1][=Branch2][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][P][O][C]
InChI: InChI=1S/C27H33N5O6S/c1-6-9-24-28-17(4)25-27(33)29-26(30-32(24)25)20-16-19(11-13-21(20)37-8-3)39(34,35)31-18-10-12-22(38-14-7-2)23(15-18)36-5/h10-13,15-16,31H,6-9,14H2,1-5H3,(H,29,30,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N[C@@H](CO)Cc4ccccc4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=Branch1][C][=C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C26H31N5O5S/c1-4-9-23-27-17(3)24-26(33)28-25(29-31(23)24)21-15-20(12-13-22(21)36-5-2)37(34,35)30-19(16-32)14-18-10-7-6-8-11-18/h6-8,10-13,15,19,30,32H,4-5,9,14,16H2,1-3H3,(H,28,29,33)/t19-/m1/s1
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCN)CCO)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring2][C][C][N][C][C][O][=C][C][=C][Ring1][S][O][C][C][=N][N][Ring2][Ring1][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C21H30N6O5S/c1-4-6-18-23-14(3)19-21(29)24-20(25-27(18)19)16-13-15(7-8-17(16)32-5-2)33(30,31)26(10-9-22)11-12-28/h7-8,13,28H,4-6,9-12,22H2,1-3H3,(H,24,25,29)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCN(CC)CC)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][S][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][#C][Ring2][Ring1][O]
InChI: InChI=1S/C23H34N6O4S/c1-6-10-20-25-16(5)21-23(30)26-22(27-29(20)21)18-15-17(11-12-19(18)33-9-4)34(31,32)24-13-14-28(7-2)8-3/h11-12,15,24H,6-10,13-14H2,1-5H3,(H,26,27,30)
SMILES: CCCc1nc(C)c2n1N=C(c1cc(S(=O)(=O)N3CCN(CC)CC3)ccc1OCC)NC2
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][N][Ring1][=Branch1][N][=C][Branch2][Ring2][C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Ring1][C][C][C][C][Ring1][Branch2][=C][C][=C][Ring1][P][O][C][C][N][C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C23H34N6O3S/c1-5-8-22-25-17(4)20-16-24-23(26-29(20)22)19-15-18(9-10-21(19)32-7-3)33(30,31)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14,16H2,1-4H3,(H,24,26)
SMILES: O=C(NCCNc1ccc(F)cc1)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
SELFIES: [O][=C][Branch1][S][N][C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]
InChI: InChI=1S/C22H32FN3O4/c23-18-6-8-19(9-7-18)24-10-11-25-22(28)30-20(16-17-4-2-1-3-5-17)21(27)26-12-14-29-15-13-26/h6-9,17,20,24H,1-5,10-16H2,(H,25,28)/t20-/m0/s1
SMILES: O=C(NCCNc1ccc(F)cc1)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
SELFIES: [O][=C][Branch1][S][N][C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-23(29)19(16-18-4-2-1-3-5-18)17-22(28)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,29)/t19-/m1/s1
SMILES: CC1(C)CN([C@H]2COC[C@@H]2NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)c2ccc(F)cc21
SELFIES: [C][C][Branch1][C][C][C][N][Branch2][Ring2][=Branch1][C@H1][C][O][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][O][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H40FN3O5/c1-28(2)18-32(23-9-8-20(29)15-21(23)28)24-17-36-16-22(24)30-27(34)37-25(14-19-6-4-3-5-7-19)26(33)31-10-12-35-13-11-31/h8-9,15,19,22,24-25H,3-7,10-14,16-18H2,1-2H3,(H,30,34)/t22-,24-,25-/m0/s1
SMILES: C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
SELFIES: [C][C@@H1][Branch2][Ring1][C][C][N][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C26H38FN3O3/c1-19(18-30-10-9-21-16-23(27)7-8-24(21)30)28-26(32)22(15-20-5-3-2-4-6-20)17-25(31)29-11-13-33-14-12-29/h7-8,16,19-20,22H,2-6,9-15,17-18H2,1H3,(H,28,32)/t19-,22+/m0/s1
SMILES: O=C(C[C@@H](CC1CCCCC1)C(=O)N1CCOCC1)NCCNc1ccc(F)cc1
SELFIES: [O][=C][Branch2][Ring1][#Branch2][C][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-22(28)17-19(16-18-4-2-1-3-5-18)23(29)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,28)/t19-/m1/s1
SMILES: O=C(N[C@@H](COCc1ccccc1)CN1CCc2cc(F)ccc21)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
SELFIES: [O][=C][Branch2][Ring1][P][N][C@@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][O][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]
InChI: InChI=1S/C32H42FN3O5/c33-27-11-12-29-26(20-27)13-14-36(29)21-28(23-40-22-25-9-5-2-6-10-25)34-32(38)41-30(19-24-7-3-1-4-8-24)31(37)35-15-17-39-18-16-35/h2,5-6,9-12,20,24,28,30H,1,3-4,7-8,13-19,21-23H2,(H,34,38)/t28-,30+/m1/s1
SMILES: O=C(N[C@@H](CO)CN1CCc2cc(F)ccc21)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
SELFIES: [O][=C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][Ring1][C][O][C][N][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][O][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]
InChI: InChI=1S/C25H36FN3O5/c26-20-6-7-22-19(15-20)8-9-29(22)16-21(17-30)27-25(32)34-23(14-18-4-2-1-3-5-18)24(31)28-10-12-33-13-11-28/h6-7,15,18,21,23,30H,1-5,8-14,16-17H2,(H,27,32)/t21-,23+/m1/s1
SMILES: C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)OC(=O)N1CCOCC1
SELFIES: [C][C@@H1][Branch2][Ring1][C][C][N][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]
InChI: InChI=1S/C25H36FN3O4/c1-18(17-29-10-9-20-16-21(26)7-8-22(20)29)27-24(30)23(15-19-5-3-2-4-6-19)33-25(31)28-11-13-32-14-12-28/h7-8,16,18-19,23H,2-6,9-15,17H2,1H3,(H,27,30)/t18-,23-/m0/s1
SMILES: O=C(NCCNc1ccc(OC(F)(F)F)cc1)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
SELFIES: [O][=C][Branch2][Ring1][Branch2][N][C][C][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C@@H1][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C24H34F3N3O4/c25-24(26,27)34-21-8-6-20(7-9-21)28-10-11-29-23(32)19(16-18-4-2-1-3-5-18)17-22(31)30-12-14-33-15-13-30/h6-9,18-19,28H,1-5,10-17H2,(H,29,32)/t19-/m1/s1
SMILES: C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
SELFIES: [C][C@@H1][Branch2][Ring1][=Branch1][C][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][C][=Branch1][C][=O][C@@H1][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C25H36F3N3O4/c1-18(17-29-21-7-9-22(10-8-21)35-25(26,27)28)30-24(33)20(15-19-5-3-2-4-6-19)16-23(32)31-11-13-34-14-12-31/h7-10,18-20,29H,2-6,11-17H2,1H3,(H,30,33)/t18-,20+/m0/s1
SMILES: C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1
SELFIES: [C][C@@H1][Branch2][Ring1][=Branch1][C][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][C][=Branch1][C][=O][C@@H1][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C24H34F3N3O4/c1-17(16-28-20-6-8-21(9-7-20)34-24(25,26)27)29-23(32)19(14-18-4-2-3-5-18)15-22(31)30-10-12-33-13-11-30/h6-9,17-19,28H,2-5,10-16H2,1H3,(H,29,32)/t17-,19+/m0/s1
SMILES: C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)[C@@H](C)C(=O)N1CCOCC1
SELFIES: [C][C@@H1][Branch2][Ring1][=Branch1][C][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]
InChI: InChI=1S/C25H36F3N3O4/c1-17(16-29-20-7-9-21(10-8-20)35-25(26,27)28)30-23(32)22(15-19-5-3-4-6-19)18(2)24(33)31-11-13-34-14-12-31/h7-10,17-19,22,29H,3-6,11-16H2,1-2H3,(H,30,32)/t17-,18+,22+/m0/s1