EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)C(O)c1ccccc1)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C38H38N4O8S/c1-3-25-21-38(25,37(46)41-51(47,48)28-15-16-28)40-35(44)32-19-27(22-42(32)36(45)34(43)24-12-8-5-9-13-24)50-33-20-30(23-10-6-4-7-11-23)39-31-18-26(49-2)14-17-29(31)33/h3-14,17-18,20,25,27-28,32,34,43H,1,15-16,19,21-22H2,2H3,(H,40,44)(H,41,46)/t25-,27-,32+,34?,38-/m1/s1
SMILES: CCC1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)C1(O)CC1)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][C][C][C][C@][Ring1][Ring1][Branch2][Branch1][O][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][C][O][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C34H38N4O8S/c1-3-21-18-34(21,31(40)37-47(43,44)24-10-11-24)36-30(39)28-16-23(19-38(28)32(41)33(42)13-14-33)46-29-17-26(20-7-5-4-6-8-20)35-27-15-22(45-2)9-12-25(27)29/h4-9,12,15,17,21,23-24,28,42H,3,10-11,13-14,16,18-19H2,1-2H3,(H,36,39)(H,37,40)/t21?,23-,28+,34-/m1/s1
SMILES: CCC1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)C(O)Cc1c[nH]cn1)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][C][C][C][C@][Ring1][Ring1][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][C][O][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C36H40N6O8S/c1-3-22-17-36(22,35(46)41-51(47,48)26-10-11-26)40-33(44)30-15-25(19-42(30)34(45)31(43)13-23-18-37-20-38-23)50-32-16-28(21-7-5-4-6-8-21)39-29-14-24(49-2)9-12-27(29)32/h4-9,12,14,16,18,20,22,25-26,30-31,43H,3,10-11,13,15,17,19H2,1-2H3,(H,37,38)(H,40,44)(H,41,46)/t22?,25-,30+,31?,36-/m1/s1
SMILES: CCC1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](O)CC(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][C][C][C][C@][Ring1][Ring1][Branch2][Branch1][=N][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C36H44N4O8S/c1-5-23-19-36(23,35(44)39-49(45,46)26-12-13-26)38-33(42)30-17-25(20-40(30)34(43)31(41)15-21(2)3)48-32-18-28(22-9-7-6-8-10-22)37-29-16-24(47-4)11-14-27(29)32/h6-11,14,16,18,21,23,25-26,30-31,41H,5,12-13,15,17,19-20H2,1-4H3,(H,38,42)(H,39,44)/t23?,25-,30+,31+,36-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@H](O)c1ccccc1)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C38H38N4O8S/c1-3-25-21-38(25,37(46)41-51(47,48)28-15-16-28)40-35(44)32-19-27(22-42(32)36(45)34(43)24-12-8-5-9-13-24)50-33-20-30(23-10-6-4-7-11-23)39-31-18-26(49-2)14-17-29(31)33/h3-14,17-18,20,25,27-28,32,34,43H,1,15-16,19,21-22H2,2H3,(H,40,44)(H,41,46)/t25-,27-,32+,34-,38-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)C1CC1)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C34H36N4O7S/c1-3-22-18-34(22,33(41)37-46(42,43)25-12-13-25)36-31(39)29-16-24(19-38(29)32(40)21-9-10-21)45-30-17-27(20-7-5-4-6-8-20)35-28-15-23(44-2)11-14-26(28)30/h3-8,11,14-15,17,21-22,24-25,29H,1,9-10,12-13,16,18-19H2,2H3,(H,36,39)(H,37,41)/t22-,24-,29+,34-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CC(Oc2nc(-c3ccc(OC(F)(F)F)cc3)cc3cc(OC)ccc23)CN1C(=O)[C@@H](O)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][=Branch1][O][N][C][=Branch1][C][=O][C@@H1][C][C][Branch2][Ring2][O][O][C][=N][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][Branch2][C][N][Ring2][Ring1][=N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C37H41F3N4O9S/c1-6-22-18-36(22,34(48)43-54(49,50)26-12-13-26)42-31(46)29-17-25(19-44(29)33(47)30(45)35(2,3)4)52-32-27-14-11-24(51-5)15-21(27)16-28(41-32)20-7-9-23(10-8-20)53-37(38,39)40/h6-11,14-16,22,25-26,29-30,45H,1,12-13,17-19H2,2-5H3,(H,42,46)(H,43,48)/t22-,25?,29+,30-,36-/m1/s1
SMILES: C=CC1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3ccccc23)CN1C(=O)[C@@H](O)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C][C][C@][Ring1][Ring1][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][S][O][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][N][Ring1][S][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C29H36N4O7S/c1-5-18-15-29(18,27(37)32-41(38,39)20-10-11-20)31-24(35)22-14-19(16-33(22)26(36)23(34)28(2,3)4)40-25-21-9-7-6-8-17(21)12-13-30-25/h5-9,12-13,18-20,22-23,34H,1,10-11,14-16H2,2-4H3,(H,31,35)(H,32,37)/t18?,19-,22+,23-,29-/m1/s1
SMILES: C=CCCCCCC(O)C(=O)N1C[C@H](Oc2nc(-c3ccccc3)cc3cc(OC)ccc23)CC1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2CC2)CC1C=C
SELFIES: [C][=C][C][C][C][C][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][#C][O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][C@][Branch2][Ring1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][N][C][=C]
InChI: InChI=1S/C39H46N4O8S/c1-4-6-7-8-12-15-34(44)37(46)43-24-29(22-33(43)35(45)41-39(23-27(39)5-2)38(47)42-52(48,49)30-17-18-30)51-36-31-19-16-28(50-3)20-26(31)21-32(40-36)25-13-10-9-11-14-25/h4-5,9-11,13-14,16,19-21,27,29-30,33-34,44H,1-2,6-8,12,15,17-18,22-24H2,3H3,(H,41,45)(H,42,47)/t27?,29-,33?,34?,39-/m1/s1
SMILES: C=C[C@@H]1CC1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](OC(=O)NC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1(CC2CC2)CC1
SELFIES: [C][=C][C@@H1][C][C][Ring1][Ring1][Branch2][=Branch1][N][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][Branch1][#C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][Ring1][#Branch1]
InChI: InChI=1S/C45H57N5O9S/c1-9-29-25-45(29,40(53)49-60(55,56)44(19-20-44)24-27-15-16-27)47-38(51)35-22-31(26-50(35)39(52)37(42(2,3)4)59-41(54)48-43(5,6)7)58-36-23-33(28-13-11-10-12-14-28)46-34-21-30(57-8)17-18-32(34)36/h9-14,17-18,21,23,27,29,31,35,37H,1,15-16,19-20,22,24-26H2,2-8H3,(H,47,51)(H,48,54)(H,49,53)/t29-,31-,35+,37-,45?/m1/s1
SMILES: C=CC1CC1(NC(=O)[C@@H]1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](OC(=O)Nc1ccc(N(C)C)cc1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C][C][C][Ring1][Ring1][Branch2][#Branch1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C45H52N6O9S/c1-8-28-25-45(28,42(54)49-61(56,57)33-19-20-33)48-40(52)37-23-32(59-38-24-35(27-12-10-9-11-13-27)47-36-22-31(58-7)18-21-34(36)38)26-51(37)41(53)39(44(2,3)4)60-43(55)46-29-14-16-30(17-15-29)50(5)6/h8-18,21-22,24,28,32-33,37,39H,1,19-20,23,25-26H2,2-7H3,(H,46,55)(H,48,52)(H,49,54)/t28?,32?,37-,39+,45?/m0/s1
SMILES: C=CC1CC1(NC(=O)[C@@H]1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](OC(=O)Nc1ccc(OC)cc1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C][C][C][Ring1][Ring1][Branch2][=Branch1][P][N][C][=Branch1][C][=O][C@@H1][C][C][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C44H49N5O10S/c1-7-27-24-44(27,41(52)48-60(54,55)32-18-19-32)47-39(50)36-22-31(58-37-23-34(26-11-9-8-10-12-26)46-35-21-30(57-6)17-20-33(35)37)25-49(36)40(51)38(43(2,3)4)59-42(53)45-28-13-15-29(56-5)16-14-28/h7-17,20-21,23,27,31-32,36,38H,1,18-19,22,24-25H2,2-6H3,(H,45,53)(H,47,50)(H,48,52)/t27?,31?,36-,38+,44?/m0/s1
SMILES: C=CC1CC1(NC(=O)[C@@H]1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](OC(=O)Nc1ccc(OC)cc1C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C][C][C][Ring1][Ring1][Branch2][#Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C45H51N5O10S/c1-8-28-24-45(28,42(53)49-61(55,56)32-16-17-32)48-40(51)37-22-31(59-38-23-35(27-12-10-9-11-13-27)46-36-21-30(58-7)14-18-33(36)38)25-50(37)41(52)39(44(3,4)5)60-43(54)47-34-19-15-29(57-6)20-26(34)2/h8-15,18-21,23,28,31-32,37,39H,1,16-17,22,24-25H2,2-7H3,(H,47,54)(H,48,51)(H,49,53)/t28?,31?,37-,39+,45?/m0/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nc(-c3ccc(OC(F)(F)F)cc3)cc3cc(OC)ccc23)CN1C(=O)[C@@H](OC(=O)NC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][#Branch1][Branch2][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring2][O][O][C][=N][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][Branch2][C][N][Ring2][Ring1][=N][C][=Branch1][C][=O][C@@H1][Branch1][#C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C42H50F3N5O10S/c1-9-25-21-41(25,37(53)49-61(55,56)29-15-16-29)47-34(51)32-20-28(22-50(32)36(52)33(39(2,3)4)59-38(54)48-40(5,6)7)58-35-30-17-14-27(57-8)18-24(30)19-31(46-35)23-10-12-26(13-11-23)60-42(43,44)45/h9-14,17-19,25,28-29,32-33H,1,15-16,20-22H2,2-8H3,(H,47,51)(H,48,54)(H,49,53)/t25-,28-,32+,33-,41-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3ccccc23)CN1C(=O)[C@@H](OC(=O)NC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Branch1][O][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][S][O][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][N][Ring1][S][C][=Branch1][C][=O][C@@H1][Branch1][#C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C34H45N5O8S/c1-8-21-18-34(21,30(42)38-48(44,45)23-13-14-23)36-27(40)25-17-22(46-28-24-12-10-9-11-20(24)15-16-35-28)19-39(25)29(41)26(32(2,3)4)47-31(43)37-33(5,6)7/h8-12,15-16,21-23,25-26H,1,13-14,17-19H2,2-7H3,(H,36,40)(H,37,43)(H,38,42)/t21-,22-,25+,26-,34-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3ccccc23)CN1C(=O)[C@@H](OC(=O)NCC)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][S][O][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][N][Ring1][S][C][=Branch1][C][=O][C@@H1][Branch1][=Branch2][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C32H41N5O8S/c1-6-20-17-32(20,29(40)36-46(42,43)22-12-13-22)35-26(38)24-16-21(44-27-23-11-9-8-10-19(23)14-15-34-27)18-37(24)28(39)25(31(3,4)5)45-30(41)33-7-2/h6,8-11,14-15,20-22,24-25H,1,7,12-13,16-18H2,2-5H3,(H,33,41)(H,35,38)(H,36,40)/t20-,21-,24+,25-,32-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3ccccc23)CN1C(=O)[C@@H](OC(=O)NC(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][S][O][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][N][Ring1][S][C][=Branch1][C][=O][C@@H1][Branch1][N][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C33H43N5O8S/c1-7-21-17-33(21,30(41)37-47(43,44)23-12-13-23)36-27(39)25-16-22(45-28-24-11-9-8-10-20(24)14-15-34-28)18-38(25)29(40)26(32(4,5)6)46-31(42)35-19(2)3/h7-11,14-15,19,21-23,25-26H,1,12-13,16-18H2,2-6H3,(H,35,42)(H,36,39)(H,37,41)/t21-,22-,25+,26-,33-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3ccccc23)CN1C(=O)[C@@H](OC(=O)Nc1ccccc1OC)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Branch1][=N][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][S][O][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][N][Ring1][S][C][=Branch1][C][=O][C@@H1][Branch1][P][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C37H43N5O9S/c1-6-23-20-37(23,34(45)41-52(47,48)25-15-16-25)40-31(43)28-19-24(50-32-26-12-8-7-11-22(26)17-18-38-32)21-42(28)33(44)30(36(2,3)4)51-35(46)39-27-13-9-10-14-29(27)49-5/h6-14,17-18,23-25,28,30H,1,15-16,19-21H2,2-5H3,(H,39,46)(H,40,43)(H,41,45)/t23-,24-,28+,30-,37-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3ccccc23)CN1C(=O)[C@@H](OC(=O)Nc1ccc(F)cc1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][S][O][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][N][Ring1][S][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C36H40FN5O8S/c1-5-22-19-36(22,33(45)41-51(47,48)26-14-15-26)40-30(43)28-18-25(49-31-27-9-7-6-8-21(27)16-17-38-31)20-42(28)32(44)29(35(2,3)4)50-34(46)39-24-12-10-23(37)11-13-24/h5-13,16-17,22,25-26,28-29H,1,14-15,18-20H2,2-4H3,(H,39,46)(H,40,43)(H,41,45)/t22-,25-,28+,29-,36-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3ccccc23)CN1C(=O)[C@@H](OC(=O)Nc1ccc(OC)cc1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Branch1][S][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][S][O][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][N][Ring1][S][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C37H43N5O9S/c1-6-23-20-37(23,34(45)41-52(47,48)27-15-16-27)40-31(43)29-19-26(50-32-28-10-8-7-9-22(28)17-18-38-32)21-42(29)33(44)30(36(2,3)4)51-35(46)39-24-11-13-25(49-5)14-12-24/h6-14,17-18,23,26-27,29-30H,1,15-16,19-21H2,2-5H3,(H,39,46)(H,40,43)(H,41,45)/t23-,26-,29+,30-,37-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3ccccc23)CN1C(=O)[C@@H](OC(=O)Nc1ccccc1C(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Branch1][P][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][S][O][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][N][Ring1][S][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C39H47N5O8S/c1-7-25-21-39(25,36(47)43-53(49,50)27-16-17-27)42-33(45)31-20-26(51-34-29-14-9-8-12-24(29)18-19-40-34)22-44(31)35(46)32(38(4,5)6)52-37(48)41-30-15-11-10-13-28(30)23(2)3/h7-15,18-19,23,25-27,31-32H,1,16-17,20-22H2,2-6H3,(H,41,48)(H,42,45)(H,43,47)/t25-,26-,31+,32-,39-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3ccccc23)CN1C(=O)[C@@H](OC(=O)Nc1ccc(C(C)(C)C)cc1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][=Branch1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][S][O][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][N][Ring1][S][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch2][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C40H49N5O8S/c1-8-25-22-40(25,36(48)44-54(50,51)29-17-18-29)43-33(46)31-21-28(52-34-30-12-10-9-11-24(30)19-20-41-34)23-45(31)35(47)32(39(5,6)7)53-37(49)42-27-15-13-26(14-16-27)38(2,3)4/h8-16,19-20,25,28-29,31-32H,1,17-18,21-23H2,2-7H3,(H,42,49)(H,43,46)(H,44,48)/t25-,28-,31+,32-,40-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2ncnc3ccccc23)CN1C(=O)[C@@H](OC(=O)NC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Branch1][O][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][S][O][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][N][Ring1][S][C][=Branch1][C][=O][C@@H1][Branch1][#C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C33H44N6O8S/c1-8-19-16-33(19,29(42)38-48(44,45)21-13-14-21)36-26(40)24-15-20(46-27-22-11-9-10-12-23(22)34-18-35-27)17-39(24)28(41)25(31(2,3)4)47-30(43)37-32(5,6)7/h8-12,18-21,24-25H,1,13-17H2,2-7H3,(H,36,40)(H,37,43)(H,38,42)/t19-,20-,24+,25-,33-/m1/s1
SMILES: CCCCC(CN(O)C(N)=O)C(=O)N[C@H](C(=O)NC(C)(C)C)C(C)(C)C
SELFIES: [C][C][C][C][C][Branch1][O][C][N][Branch1][C][O][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C18H36N4O4/c1-8-9-10-12(11-22(26)16(19)25)14(23)20-13(17(2,3)4)15(24)21-18(5,6)7/h12-13,26H,8-11H2,1-7H3,(H2,19,25)(H,20,23)(H,21,24)/t12?,13-/m1/s1
SMILES: CCCCC(CN(O)C=O)C(=O)N[C@@H](C)C(=O)N1CCOCC1
SELFIES: [C][C][C][C][C][Branch1][Branch2][C][N][Branch1][C][O][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]
InChI: InChI=1S/C15H27N3O5/c1-3-4-5-13(10-18(22)11-19)14(20)16-12(2)15(21)17-6-8-23-9-7-17/h11-13,22H,3-10H2,1-2H3,(H,16,20)/t12-,13?/m0/s1
SMILES: CCCCC(CN(O)C=O)C(=O)N[C@@H](C)C(=O)N(C)C
SELFIES: [C][C][C][C][C][Branch1][Branch2][C][N][Branch1][C][O][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C]
InChI: InChI=1S/C13H25N3O4/c1-5-6-7-11(8-16(20)9-17)12(18)14-10(2)13(19)15(3)4/h9-11,20H,5-8H2,1-4H3,(H,14,18)/t10-,11?/m0/s1
SMILES: CCCCC(CN(O)C=O)C(=O)N[C@H](CO)CC(C)C
SELFIES: [C][C][C][C][C][Branch1][Branch2][C][N][Branch1][C][O][C][=O][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C][C][Branch1][C][C][C]
InChI: InChI=1S/C14H28N2O4/c1-4-5-6-12(8-16(20)10-18)14(19)15-13(9-17)7-11(2)3/h10-13,17,20H,4-9H2,1-3H3,(H,15,19)/t12?,13-/m0/s1
SMILES: CCCCC(CN(O)C=O)C(=O)N[C@H](CO)Cc1ccccc1
SELFIES: [C][C][C][C][C][Branch1][Branch2][C][N][Branch1][C][O][C][=O][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C17H26N2O4/c1-2-3-9-15(11-19(23)13-21)17(22)18-16(12-20)10-14-7-5-4-6-8-14/h4-8,13,15-16,20,23H,2-3,9-12H2,1H3,(H,18,22)/t15?,16-/m0/s1
SMILES: CCCCC(CN(O)C=O)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C
SELFIES: [C][C][C][C][C][Branch1][Branch2][C][N][Branch1][C][O][C][=O][C][=Branch1][C][=O][N][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C19H30N4O4/c1-5-6-9-14(12-23(27)13-24)17(25)22-16(19(2,3)4)18(26)21-15-10-7-8-11-20-15/h7-8,10-11,13-14,16,27H,5-6,9,12H2,1-4H3,(H,22,25)(H,20,21,26)/t14?,16-/m1/s1
SMILES: CCCCC(CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)C
SELFIES: [C][C][C][C][C][Branch1][Branch2][C][N][Branch1][C][O][C][=O][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][C]
InChI: InChI=1S/C15H29N3O4/c1-6-7-8-12(9-18(22)10-19)14(20)16-13(11(2)3)15(21)17(4)5/h10-13,22H,6-9H2,1-5H3,(H,16,20)/t12?,13-/m0/s1
SMILES: CCCCC(CN(O)C=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C
SELFIES: [C][C][C][C][C][Branch1][Branch2][C][N][Branch1][C][O][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C]
InChI: InChI=1S/C19H29N3O4/c1-4-5-11-16(13-22(26)14-23)18(24)20-17(19(25)21(2)3)12-15-9-7-6-8-10-15/h6-10,14,16-17,26H,4-5,11-13H2,1-3H3,(H,20,24)/t16?,17-/m0/s1
SMILES: CCCCC(CN(O)C=O)C(=O)N[C@@H](CC(C)C)C(=O)N(C)C
SELFIES: [C][C][C][C][C][Branch1][Branch2][C][N][Branch1][C][O][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C]
InChI: InChI=1S/C16H31N3O4/c1-6-7-8-13(10-19(23)11-20)15(21)17-14(9-12(2)3)16(22)18(4)5/h11-14,23H,6-10H2,1-5H3,(H,17,21)/t13?,14-/m0/s1
SMILES: CCCCC(CN(O)C=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCCC1
SELFIES: [C][C][C][C][C][Branch1][Branch2][C][N][Branch1][C][O][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C18H33N3O4/c1-4-5-8-15(12-21(25)13-22)17(23)19-16(11-14(2)3)18(24)20-9-6-7-10-20/h13-16,25H,4-12H2,1-3H3,(H,19,23)/t15?,16-/m0/s1