aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14631 | 2.26 | 218.28 | C11H10ON2S | Cc1ccc(C(=O)c2cnc(N)s2)cc1 |
|
AD14632 | 2.36 | 352.39 | C20H20O4N2 | C=CC1C(O)OC=C2C(=O)N3CCc4c(n(O)c5ccccc45)C3CC21 |
|
AD14633 | 2.8 | 408.29 | C5H15O9P3S3 | COP(=O)(S)OCC(COP(=O)(S)OC)OP(=O)(O)S |
|
AD14634 | -0.99 | 112.09 | C4H4O2N2 | O=c1c[n+]([O-])cc[nH]1 |
|
AD14635 | 1.11 | 165.2 | C6H5N4S | CSc1ncc2c(n1)[N]C=N2 |
|
AD14636 | 4.02 | 299.31 | C18H11ON4 | Nc1ncnc2c1-c1cc(-c3cc4ccccc4o3)ccc1[N]2 |
|
AD14637 | 2.18 | 163.26 | C11H17N | CC(Cc1ccccc1)N(C)C |
|
AD14638 | 9.78 | 682.78 | C41H53O3N3Cl2 | CC1(C)CCC2(C(=O)OCc3cn(-c4ccc(Cl)cc4Cl)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD14639 | 0.33 | 272.25 | C11H10O2N7 | CCOC(=O)c1cnn(-c2nc(N)c3c(n2)[N]C=N3)c1 |
|
AD14640 | -2.71 | 436.59 | C20H44O6N4 | CN(CCCCCCN(C)CC(O)COC1C(N)CC(N)C(O)C1O)CC(O)CO |