EdisonScientific/glyph-datasets huggingface dataset:
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(Cl)cc1Cl
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][Cl][C][=C][Ring1][#Branch1][Cl]
InChI: InChI=1S/C33H32Cl2N2O10/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(Cl)c(Cl)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][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
InChI: InChI=1S/C33H32Cl2N2O10/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)c1c(Cl)cccc1Cl
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][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]
InChI: InChI=1S/C33H32Cl2N2O10/c1-17(2)30(39)46-27-18(3)45-32(41)23(16-44-31(40)20(27)15-19-9-6-5-7-10-19)37-29(38)26-28(24(43-4)13-14-36-26)47-33(42)25-21(34)11-8-12-22(25)35/h5-14,17-18,20,23,27H,15-16H2,1-4H3,(H,37,38)/t18-,20+,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)c1c(Cl)cc(Cl)cc1Cl
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][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl]
InChI: InChI=1S/C33H31Cl3N2O10/c1-16(2)30(40)47-27-17(3)46-32(42)23(15-45-31(41)20(27)12-18-8-6-5-7-9-18)38-29(39)26-28(24(44-4)10-11-37-26)48-33(43)25-21(35)13-19(34)14-22(25)36/h5-11,13-14,16-17,20,23,27H,12,15H2,1-4H3,(H,38,39)/t17-,20+,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)c1ccccc1Br
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][Br]
InChI: InChI=1S/C33H33BrN2O10/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)Cc1ccccc1
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/C34H36N2O10/c1-20(2)32(39)46-29-21(3)44-34(41)25(19-43-33(40)24(29)17-22-11-7-5-8-12-22)36-31(38)28-30(26(42-4)15-16-35-28)45-27(37)18-23-13-9-6-10-14-23/h5-16,20-21,24-25,29H,17-19H2,1-4H3,(H,36,38)/t21-,24+,25-,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)C(Cl)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][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C34H35ClN2O10/c1-19(2)31(39)46-28-20(3)45-33(41)24(18-44-32(40)23(28)17-21-11-7-5-8-12-21)37-30(38)27-29(25(43-4)15-16-36-27)47-34(42)26(35)22-13-9-6-10-14-22/h5-16,19-20,23-24,26,28H,17-18H2,1-4H3,(H,37,38)/t20-,23+,24-,26?,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)CCc1ccccc1
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][=C][Ring1][=Branch1]
InChI: InChI=1S/C35H38N2O10/c1-21(2)33(40)47-30-22(3)45-35(42)26(20-44-34(41)25(30)19-24-13-9-6-10-14-24)37-32(39)29-31(27(43-4)17-18-36-29)46-28(38)16-15-23-11-7-5-8-12-23/h5-14,17-18,21-22,25-26,30H,15-16,19-20H2,1-4H3,(H,37,39)/t22-,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)/C=C/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][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C35H36N2O10/c1-21(2)33(40)47-30-22(3)45-35(42)26(20-44-34(41)25(30)19-24-13-9-6-10-14-24)37-32(39)29-31(27(43-4)17-18-36-29)46-28(38)16-15-23-11-7-5-8-12-23/h5-18,21-22,25-26,30H,19-20H2,1-4H3,(H,37,39)/b16-15+/t22-,25+,26-,30-/m0/s1
SMILES: CCC(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)c1ccccc1
SELFIES: [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][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C36H40N2O10/c1-6-25(24-15-11-8-12-16-24)35(42)48-31-28(44-5)17-18-37-29(31)32(39)38-27-20-45-34(41)26(19-23-13-9-7-10-14-23)30(22(4)46-36(27)43)47-33(40)21(2)3/h7-18,21-22,25-27,30H,6,19-20H2,1-5H3,(H,38,39)/t22-,25?,26+,27-,30-/m0/s1
SMILES: COCC(=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][O][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/C29H34N2O11/c1-16(2)27(34)42-24-17(3)40-29(36)20(14-39-28(35)19(24)13-18-9-7-6-8-10-18)31-26(33)23-25(41-22(32)15-37-4)21(38-5)11-12-30-23/h6-12,16-17,19-20,24H,13-15H2,1-5H3,(H,31,33)/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)COc1ccccc1
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][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C34H36N2O11/c1-20(2)32(39)47-29-21(3)45-34(41)25(18-44-33(40)24(29)17-22-11-7-5-8-12-22)36-31(38)28-30(26(42-4)15-16-35-28)46-27(37)19-43-23-13-9-6-10-14-23/h5-16,20-21,24-25,29H,17-19H2,1-4H3,(H,36,38)/t21-,24+,25-,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)CSc1ccccc1
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][S][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C34H36N2O10S/c1-20(2)32(39)46-29-21(3)44-34(41)25(18-43-33(40)24(29)17-22-11-7-5-8-12-22)36-31(38)28-30(26(42-4)15-16-35-28)45-27(37)19-47-23-13-9-6-10-14-23/h5-16,20-21,24-25,29H,17-19H2,1-4H3,(H,36,38)/t21-,24+,25-,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)COCc1ccccc1
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][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C35H38N2O11/c1-21(2)33(40)48-30-22(3)46-35(42)26(19-45-34(41)25(30)17-23-11-7-5-8-12-23)37-32(39)29-31(27(43-4)15-16-36-29)47-28(38)20-44-18-24-13-9-6-10-14-24/h5-16,21-22,25-26,30H,17-20H2,1-4H3,(H,37,39)/t22-,25+,26-,30-/m0/s1
SMILES: COCCC(=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][O][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/C30H36N2O11/c1-17(2)28(35)43-25-18(3)41-30(37)21(16-40-29(36)20(25)15-19-9-7-6-8-10-19)32-27(34)24-26(22(39-5)11-13-31-24)42-23(33)12-14-38-4/h6-11,13,17-18,20-21,25H,12,14-16H2,1-5H3,(H,32,34)/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)COC(C)=O
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][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C30H34N2O12/c1-16(2)28(36)44-25-17(3)42-30(38)21(14-41-29(37)20(25)13-19-9-7-6-8-10-19)32-27(35)24-26(22(39-5)11-12-31-24)43-23(34)15-40-18(4)33/h6-12,16-17,20-21,25H,13-15H2,1-5H3,(H,32,35)/t17-,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(C)OC(C)=O
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][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C31H36N2O12/c1-16(2)28(36)44-25-17(3)43-31(39)22(15-41-30(38)21(25)14-20-10-8-7-9-11-20)33-27(35)24-26(23(40-6)12-13-32-24)45-29(37)18(4)42-19(5)34/h7-13,16-18,21-22,25H,14-15H2,1-6H3,(H,33,35)/t17-,18?,21+,22-,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(C)(C)OC(C)=O
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][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C32H38N2O12/c1-17(2)28(37)44-25-18(3)43-30(39)22(16-42-29(38)21(25)15-20-11-9-8-10-12-20)34-27(36)24-26(23(41-7)13-14-33-24)45-31(40)32(5,6)46-19(4)35/h8-14,17-18,21-22,25H,15-16H2,1-7H3,(H,34,36)/t18-,21+,22-,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(OC=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][Branch1][Ring2][O][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C35H36N2O12/c1-20(2)32(40)48-28-21(3)47-34(42)25(18-45-33(41)24(28)17-22-11-7-5-8-12-22)37-31(39)27-30(26(44-4)15-16-36-27)49-35(43)29(46-19-38)23-13-9-6-10-14-23/h5-16,19-21,24-25,28-29H,17-18H2,1-4H3,(H,37,39)/t21-,24+,25-,28-,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)C(OC(C)=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][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C36H38N2O12/c1-20(2)33(41)49-29-21(3)47-35(43)26(19-46-34(42)25(29)18-23-12-8-6-9-13-23)38-32(40)28-31(27(45-5)16-17-37-28)50-36(44)30(48-22(4)39)24-14-10-7-11-15-24/h6-17,20-21,25-26,29-30H,18-19H2,1-5H3,(H,38,40)/t21-,25+,26-,29-,30?/m0/s1
SMILES: CCOC(=O)CCC(=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][O][C][=Branch1][C][=O][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/C32H38N2O12/c1-6-42-24(35)12-13-25(36)45-28-23(41-5)14-15-33-26(28)29(37)34-22-17-43-31(39)21(16-20-10-8-7-9-11-20)27(19(4)44-32(22)40)46-30(38)18(2)3/h7-11,14-15,18-19,21-22,27H,6,12-13,16-17H2,1-5H3,(H,34,37)/t19-,21+,22-,27-/m0/s1
SMILES: COC(=O)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][O][C][=Branch1][C][=O][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/C35H44N2O12/c1-21(2)33(41)49-30-22(3)47-35(43)25(20-46-34(42)24(30)19-23-13-9-8-10-14-23)37-32(40)29-31(26(44-4)17-18-36-29)48-28(39)16-12-7-6-11-15-27(38)45-5/h8-10,13-14,17-18,21-22,24-25,30H,6-7,11-12,15-16,19-20H2,1-5H3,(H,37,40)/t22-,24+,25-,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)c1nc(Cl)ccc1Cl
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][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl]
InChI: InChI=1S/C32H31Cl2N3O10/c1-16(2)29(39)46-26-17(3)45-31(41)21(15-44-30(40)19(26)14-18-8-6-5-7-9-18)36-28(38)25-27(22(43-4)12-13-35-25)47-32(42)24-20(33)10-11-23(34)37-24/h5-13,16-17,19,21,26H,14-15H2,1-4H3,(H,36,38)/t17-,19+,21-,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)c1ccc(Cl)nc1
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][Cl][N][=C][Ring1][#Branch1]
InChI: InChI=1S/C32H32ClN3O10/c1-17(2)29(38)45-26-18(3)44-32(41)22(16-43-31(40)21(26)14-19-8-6-5-7-9-19)36-28(37)25-27(23(42-4)12-13-34-25)46-30(39)20-10-11-24(33)35-15-20/h5-13,15,17-18,21-22,26H,14,16H2,1-4H3,(H,36,37)/t18-,21+,22-,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)c1cnc(Cl)c(Cl)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][N][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
InChI: InChI=1S/C32H31Cl2N3O10/c1-16(2)29(39)46-25-17(3)45-32(42)22(15-44-31(41)20(25)12-18-8-6-5-7-9-18)37-28(38)24-26(23(43-4)10-11-35-24)47-30(40)19-13-21(33)27(34)36-14-19/h5-11,13-14,16-17,20,22,25H,12,15H2,1-4H3,(H,37,38)/t17-,20+,22-,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)c1cc(Cl)cnc1Cl
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][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][Cl]
InChI: InChI=1S/C32H31Cl2N3O10/c1-16(2)29(39)46-25-17(3)45-32(42)22(15-44-30(40)20(25)12-18-8-6-5-7-9-18)37-28(38)24-26(23(43-4)10-11-35-24)47-31(41)21-13-19(33)14-36-27(21)34/h5-11,13-14,16-17,20,22,25H,12,15H2,1-4H3,(H,37,38)/t17-,20+,22-,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)c1ccnc(Cl)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][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1]
InChI: InChI=1S/C32H32ClN3O10/c1-17(2)29(38)45-26-18(3)44-32(41)22(16-43-31(40)21(26)14-19-8-6-5-7-9-19)36-28(37)25-27(23(42-4)11-13-35-25)46-30(39)20-10-12-34-24(33)15-20/h5-13,15,17-18,21-22,26H,14,16H2,1-4H3,(H,36,37)/t18-,21+,22-,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)c1ccco1
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][O][Ring1][Branch1]
InChI: InChI=1S/C31H32N2O11/c1-17(2)28(35)43-25-18(3)42-30(37)21(16-41-29(36)20(25)15-19-9-6-5-7-10-19)33-27(34)24-26(22(39-4)12-13-32-24)44-31(38)23-11-8-14-40-23/h5-14,17-18,20-21,25H,15-16H2,1-4H3,(H,33,34)/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)c1cccs1
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][S][Ring1][Branch1]
InChI: InChI=1S/C31H32N2O10S/c1-17(2)28(35)42-25-18(3)41-30(37)21(16-40-29(36)20(25)15-19-9-6-5-7-10-19)33-27(34)24-26(22(39-4)12-13-32-24)43-31(38)23-11-8-14-44-23/h5-14,17-18,20-21,25H,15-16H2,1-4H3,(H,33,34)/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)Cc1cccs1
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][S][Ring1][Branch1]
InChI: InChI=1S/C32H34N2O10S/c1-18(2)30(37)44-27-19(3)42-32(39)23(17-41-31(38)22(27)15-20-9-6-5-7-10-20)34-29(36)26-28(24(40-4)12-13-33-26)43-25(35)16-21-11-8-14-45-21/h5-14,18-19,22-23,27H,15-17H2,1-4H3,(H,34,36)/t19-,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)c1snnc1C
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][S][N][=N][C][=Ring1][Branch1][C]
InChI: InChI=1S/C30H32N4O10S/c1-15(2)27(36)43-23-17(4)42-29(38)20(14-41-28(37)19(23)13-18-9-7-6-8-10-18)32-26(35)22-24(21(40-5)11-12-31-22)44-30(39)25-16(3)33-34-45-25/h6-12,15,17,19-20,23H,13-14H2,1-5H3,(H,32,35)/t17-,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)c1c(-c2c(Cl)cccc2Cl)noc1C
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][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C]
InChI: InChI=1S/C37H35Cl2N3O11/c1-18(2)34(44)51-31-20(4)50-36(46)25(17-49-35(45)22(31)16-21-10-7-6-8-11-21)41-33(43)30-32(26(48-5)14-15-40-30)52-37(47)27-19(3)53-42-29(27)28-23(38)12-9-13-24(28)39/h6-15,18,20,22,25,31H,16-17H2,1-5H3,(H,41,43)/t20-,22+,25-,31-/m0/s1
SMILES: COC(=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][O][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/C28H32N2O11/c1-15(2)25(32)40-22-16(3)39-27(34)19(14-38-26(33)18(22)13-17-9-7-6-8-10-17)30-24(31)21-23(41-28(35)37-5)20(36-4)11-12-29-21/h6-12,15-16,18-19,22H,13-14H2,1-5H3,(H,30,31)/t16-,18+,19-,22-/m0/s1