EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCC(C)C(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C32H40N2O10/c1-7-11-19(4)30(37)44-27-24(40-6)14-15-33-25(27)28(35)34-23-17-41-31(38)22(16-21-12-9-8-10-13-21)26(20(5)42-32(23)39)43-29(36)18(2)3/h8-10,12-15,18-20,22-23,26H,7,11,16-17H2,1-6H3,(H,34,35)/t19?,20-,22+,23-,26-/m0/s1
SMILES: CCC(CC)C(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C32H40N2O10/c1-7-21(8-2)30(37)44-27-24(40-6)14-15-33-25(27)28(35)34-23-17-41-31(38)22(16-20-12-10-9-11-13-20)26(19(5)42-32(23)39)43-29(36)18(3)4/h9-15,18-19,21-23,26H,7-8,16-17H2,1-6H3,(H,34,35)/t19-,22+,23-,26-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)C1CCCC1
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C32H38N2O10/c1-18(2)29(36)43-26-19(3)42-32(39)23(17-41-31(38)22(26)16-20-10-6-5-7-11-20)34-28(35)25-27(24(40-4)14-15-33-25)44-30(37)21-12-8-9-13-21/h5-7,10-11,14-15,18-19,21-23,26H,8-9,12-13,16-17H2,1-4H3,(H,34,35)/t19-,22+,23-,26-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)C1CCCCC1
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C33H40N2O10/c1-19(2)30(37)44-27-20(3)43-33(40)24(18-42-32(39)23(27)17-21-11-7-5-8-12-21)35-29(36)26-28(25(41-4)15-16-34-26)45-31(38)22-13-9-6-10-14-22/h5,7-8,11-12,15-16,19-20,22-24,27H,6,9-10,13-14,17-18H2,1-4H3,(H,35,36)/t20-,23+,24-,27-/m0/s1
SMILES: CCCCCCC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C33H42N2O10/c1-6-7-8-12-15-26(36)44-29-25(41-5)16-17-34-27(29)30(37)35-24-19-42-32(39)23(18-22-13-10-9-11-14-22)28(21(4)43-33(24)40)45-31(38)20(2)3/h9-11,13-14,16-17,20-21,23-24,28H,6-8,12,15,18-19H2,1-5H3,(H,35,37)/t21-,23+,24-,28-/m0/s1
SMILES: CCCCC(CC)C(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][C][C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C34H44N2O10/c1-7-9-15-23(8-2)32(39)46-29-26(42-6)16-17-35-27(29)30(37)36-25-19-43-33(40)24(18-22-13-11-10-12-14-22)28(21(5)44-34(25)41)45-31(38)20(3)4/h10-14,16-17,20-21,23-25,28H,7-9,15,18-19H2,1-6H3,(H,36,37)/t21-,23?,24+,25-,28-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)CCC1CCCC1
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C34H42N2O10/c1-20(2)32(39)46-29-21(3)44-34(41)25(19-43-33(40)24(29)18-23-12-6-5-7-13-23)36-31(38)28-30(26(42-4)16-17-35-28)45-27(37)15-14-22-10-8-9-11-22/h5-7,12-13,16-17,20-22,24-25,29H,8-11,14-15,18-19H2,1-4H3,(H,36,38)/t21-,24+,25-,29-/m0/s1
SMILES: CCCCCCCCC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C35H46N2O10/c1-6-7-8-9-10-14-17-28(38)46-31-27(43-5)18-19-36-29(31)32(39)37-26-21-44-34(41)25(20-24-15-12-11-13-16-24)30(23(4)45-35(26)42)47-33(40)22(2)3/h11-13,15-16,18-19,22-23,25-26,30H,6-10,14,17,20-21H2,1-5H3,(H,37,39)/t23-,25+,26-,30-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)CC(C)CC(C)(C)C
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C35H46N2O10/c1-20(2)32(40)47-29-22(4)45-34(42)25(19-44-33(41)24(29)17-23-12-10-9-11-13-23)37-31(39)28-30(26(43-8)14-15-36-28)46-27(38)16-21(3)18-35(5,6)7/h9-15,20-22,24-25,29H,16-19H2,1-8H3,(H,37,39)/t21?,22-,24+,25-,29-/m0/s1
SMILES: CCCCCCCCCCC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C37H50N2O10/c1-6-7-8-9-10-11-12-16-19-30(40)48-33-29(45-5)20-21-38-31(33)34(41)39-28-23-46-36(43)27(22-26-17-14-13-15-18-26)32(25(4)47-37(28)44)49-35(42)24(2)3/h13-15,17-18,20-21,24-25,27-28,32H,6-12,16,19,22-23H2,1-5H3,(H,39,41)/t25-,27+,28-,32-/m0/s1
SMILES: C=CCCCCCCCCC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][=C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C37H48N2O10/c1-6-7-8-9-10-11-12-16-19-30(40)48-33-29(45-5)20-21-38-31(33)34(41)39-28-23-46-36(43)27(22-26-17-14-13-15-18-26)32(25(4)47-37(28)44)49-35(42)24(2)3/h6,13-15,17-18,20-21,24-25,27-28,32H,1,7-12,16,19,22-23H2,2-5H3,(H,39,41)/t25-,27+,28-,32-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)CCCl
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][C][Cl]
InChI: InChI=1S/C29H33ClN2O10/c1-16(2)27(35)42-24-17(3)40-29(37)20(15-39-28(36)19(24)14-18-8-6-5-7-9-18)32-26(34)23-25(41-22(33)10-12-30)21(38-4)11-13-31-23/h5-9,11,13,16-17,19-20,24H,10,12,14-15H2,1-4H3,(H,32,34)/t17-,19+,20-,24-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)C(C)(C)CCl
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Cl]
InChI: InChI=1S/C31H37ClN2O10/c1-17(2)27(36)43-24-18(3)42-29(38)21(15-41-28(37)20(24)14-19-10-8-7-9-11-19)34-26(35)23-25(22(40-6)12-13-33-23)44-30(39)31(4,5)16-32/h7-13,17-18,20-21,24H,14-16H2,1-6H3,(H,34,35)/t18-,20+,21-,24-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)CCCCl
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][C][C][Cl]
InChI: InChI=1S/C30H35ClN2O10/c1-17(2)28(36)43-25-18(3)41-30(38)21(16-40-29(37)20(25)15-19-9-6-5-7-10-19)33-27(35)24-26(22(39-4)12-14-32-24)42-23(34)11-8-13-31/h5-7,9-10,12,14,17-18,20-21,25H,8,11,13,15-16H2,1-4H3,(H,33,35)/t18-,20+,21-,25-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)C(Cl)=C(Cl)Cl
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Branch1][C][Cl][Cl]
InChI: InChI=1S/C29H29Cl3N2O10/c1-14(2)26(36)43-22-15(3)42-28(38)18(13-41-27(37)17(22)12-16-8-6-5-7-9-16)34-25(35)21-23(19(40-4)10-11-33-21)44-29(39)20(30)24(31)32/h5-11,14-15,17-18,22H,12-13H2,1-4H3,(H,34,35)/t15-,17+,18-,22-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)C(C)Br
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Br]
InChI: InChI=1S/C29H33BrN2O10/c1-15(2)26(34)41-23-17(4)40-29(37)20(14-39-28(36)19(23)13-18-9-7-6-8-10-18)32-25(33)22-24(42-27(35)16(3)30)21(38-5)11-12-31-22/h6-12,15-17,19-20,23H,13-14H2,1-5H3,(H,32,33)/t16?,17-,19+,20-,23-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)CCCBr
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][C][C][Br]
InChI: InChI=1S/C30H35BrN2O10/c1-17(2)28(36)43-25-18(3)41-30(38)21(16-40-29(37)20(25)15-19-9-6-5-7-10-19)33-27(35)24-26(22(39-4)12-14-32-24)42-23(34)11-8-13-31/h5-7,9-10,12,14,17-18,20-21,25H,8,11,13,15-16H2,1-4H3,(H,33,35)/t18-,20+,21-,25-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)CCCCCBr
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][C][C][C][C][Br]
InChI: InChI=1S/C32H39BrN2O10/c1-19(2)30(38)45-27-20(3)43-32(40)23(18-42-31(39)22(27)17-21-11-7-5-8-12-21)35-29(37)26-28(24(41-4)14-16-34-26)44-25(36)13-9-6-10-15-33/h5,7-8,11-12,14,16,19-20,22-23,27H,6,9-10,13,15,17-18H2,1-4H3,(H,35,37)/t20-,22+,23-,27-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1ccccc1C
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
InChI: InChI=1S/C34H36N2O10/c1-19(2)31(38)45-28-21(4)44-34(41)25(18-43-32(39)24(28)17-22-12-7-6-8-13-22)36-30(37)27-29(26(42-5)15-16-35-27)46-33(40)23-14-10-9-11-20(23)3/h6-16,19,21,24-25,28H,17-18H2,1-5H3,(H,36,37)/t21-,24+,25-,28-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1cccc(C)c1
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C34H36N2O10/c1-19(2)31(38)45-28-21(4)44-34(41)25(18-43-33(40)24(28)17-22-11-7-6-8-12-22)36-30(37)27-29(26(42-5)14-15-35-27)46-32(39)23-13-9-10-20(3)16-23/h6-16,19,21,24-25,28H,17-18H2,1-5H3,(H,36,37)/t21-,24+,25-,28-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1ccc(C)cc1
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C34H36N2O10/c1-19(2)31(38)45-28-21(4)44-34(41)25(18-43-33(40)24(28)17-22-9-7-6-8-10-22)36-30(37)27-29(26(42-5)15-16-35-27)46-32(39)23-13-11-20(3)12-14-23/h6-16,19,21,24-25,28H,17-18H2,1-5H3,(H,36,37)/t21-,24+,25-,28-/m0/s1
SMILES: CCCc1ccc(C(=O)Oc2c(OC)ccnc2C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)cc1
SELFIES: [C][C][C][C][=C][C][=C][Branch2][Branch1][P][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][C][=C][Ring2][Ring2][=N]
InChI: InChI=1S/C36H40N2O10/c1-6-10-23-13-15-25(16-14-23)34(41)48-31-28(44-5)17-18-37-29(31)32(39)38-27-20-45-35(42)26(19-24-11-8-7-9-12-24)30(22(4)46-36(27)43)47-33(40)21(2)3/h7-9,11-18,21-22,26-27,30H,6,10,19-20H2,1-5H3,(H,38,39)/t22-,26+,27-,30-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1cccc(C)c1C
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C]
InChI: InChI=1S/C35H38N2O10/c1-19(2)32(39)46-29-22(5)45-35(42)26(18-44-33(40)25(29)17-23-12-8-7-9-13-23)37-31(38)28-30(27(43-6)15-16-36-28)47-34(41)24-14-10-11-20(3)21(24)4/h7-16,19,22,25-26,29H,17-18H2,1-6H3,(H,37,38)/t22-,25+,26-,29-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1c(C)cc(C)cc1C
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C]
InChI: InChI=1S/C36H40N2O10/c1-19(2)33(40)47-30-23(6)46-35(42)26(18-45-34(41)25(30)17-24-11-9-8-10-12-24)38-32(39)29-31(27(44-7)13-14-37-29)48-36(43)28-21(4)15-20(3)16-22(28)5/h8-16,19,23,25-26,30H,17-18H2,1-7H3,(H,38,39)/t23-,25+,26-,30-/m0/s1
SMILES: COc1ccc(C(=O)Oc2c(OC)ccnc2C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][P][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][C][=C][Ring2][Ring2][=N]
InChI: InChI=1S/C34H36N2O11/c1-19(2)31(38)46-28-20(3)45-34(41)25(18-44-33(40)24(28)17-21-9-7-6-8-10-21)36-30(37)27-29(26(43-5)15-16-35-27)47-32(39)22-11-13-23(42-4)14-12-22/h6-16,19-20,24-25,28H,17-18H2,1-5H3,(H,36,37)/t20-,24+,25-,28-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1ccc(OC(Cl)(Cl)Cl)cc1
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][Ring1][O]
InChI: InChI=1S/C34H33Cl3N2O11/c1-18(2)30(41)48-27-19(3)47-33(44)24(17-46-32(43)23(27)16-20-8-6-5-7-9-20)39-29(40)26-28(25(45-4)14-15-38-26)49-31(42)21-10-12-22(13-11-21)50-34(35,36)37/h5-15,18-19,23-24,27H,16-17H2,1-4H3,(H,39,40)/t19-,23+,24-,27-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1ccccc1F
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
InChI: InChI=1S/C33H33FN2O10/c1-18(2)30(38)45-27-19(3)44-33(41)24(17-43-31(39)22(27)16-20-10-6-5-7-11-20)36-29(37)26-28(25(42-4)14-15-35-26)46-32(40)21-12-8-9-13-23(21)34/h5-15,18-19,22,24,27H,16-17H2,1-4H3,(H,36,37)/t19-,22+,24-,27-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1ccc(F)cc1
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C33H33FN2O10/c1-18(2)30(38)45-27-19(3)44-33(41)24(17-43-32(40)23(27)16-20-8-6-5-7-9-20)36-29(37)26-28(25(42-4)14-15-35-26)46-31(39)21-10-12-22(34)13-11-21/h5-15,18-19,23-24,27H,16-17H2,1-4H3,(H,36,37)/t19-,23+,24-,27-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1ccc(F)cc1F
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C33H32F2N2O10/c1-17(2)30(39)46-27-18(3)45-33(42)24(16-44-31(40)22(27)14-19-8-6-5-7-9-19)37-29(38)26-28(25(43-4)12-13-36-26)47-32(41)21-11-10-20(34)15-23(21)35/h5-13,15,17-18,22,24,27H,14,16H2,1-4H3,(H,37,38)/t18-,22+,24-,27-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1ccc(F)c(F)c1
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2]
InChI: InChI=1S/C33H32F2N2O10/c1-17(2)30(39)46-27-18(3)45-33(42)24(16-44-32(41)21(27)14-19-8-6-5-7-9-19)37-29(38)26-28(25(43-4)12-13-36-26)47-31(40)20-10-11-22(34)23(35)15-20/h5-13,15,17-18,21,24,27H,14,16H2,1-4H3,(H,37,38)/t18-,21+,24-,27-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1cccc(C(F)(F)F)c1
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
InChI: InChI=1S/C34H33F3N2O10/c1-18(2)30(41)48-27-19(3)47-33(44)24(17-46-32(43)23(27)15-20-9-6-5-7-10-20)39-29(40)26-28(25(45-4)13-14-38-26)49-31(42)21-11-8-12-22(16-21)34(35,36)37/h5-14,16,18-19,23-24,27H,15,17H2,1-4H3,(H,39,40)/t19-,23+,24-,27-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1ccc(F)cc1C(F)(F)F
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F]
InChI: InChI=1S/C34H32F4N2O10/c1-17(2)30(42)49-27-18(3)48-33(45)24(16-47-31(43)22(27)14-19-8-6-5-7-9-19)40-29(41)26-28(25(46-4)12-13-39-26)50-32(44)21-11-10-20(35)15-23(21)34(36,37)38/h5-13,15,17-18,22,24,27H,14,16H2,1-4H3,(H,40,41)/t18-,22+,24-,27-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)c1c(F)c(F)c(F)c(F)c1F
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F]
InChI: InChI=1S/C33H29F5N2O10/c1-14(2)30(42)49-27-15(3)48-32(44)18(13-47-31(43)17(27)12-16-8-6-5-7-9-16)40-29(41)26-28(19(46-4)10-11-39-26)50-33(45)20-21(34)23(36)25(38)24(37)22(20)35/h5-11,14-15,17-18,27H,12-13H2,1-4H3,(H,40,41)/t15-,17+,18-,27-/m0/s1