aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40471 | -0.12 | 280.39 | C15H26O2N3 | COc1ccc(N)cc1OCCC[NH+]1CCN(C)CC1 |
|
AD40472 | -1.63 | 328.38 | C16H20O2N6 | C[NH+]1CCN(C(=O)c2cccc(NC3=C(C(N)=O)N=C[N]3)c2)CC1 |
|
AD40473 | -1.4 | 307.37 | C16H23O4N2 | COC(=O)C1C[NH+](Cc2ccccc2)CC1C(=O)NCCO |
|
AD40474 | -1.02 | 321.41 | C13H19ON7S | S=C(NCCC[NH+]1CCOCC1)Nc1ncnc2c1N=C[N]2 |
|
AD40475 | -1.63 | 328.38 | C16H20O2N6 | C[NH+]1CCN(C(=O)c2ccc(NC3=C(C(N)=O)N=C[N]3)cc2)CC1 |
|
AD40476 | -2.0 | 165.24 | C5H13O2N2S | NS(=O)(=O)C1CC[NH2+]CC1 |
|
AD40477 | -1.97 | 131.2 | C6H15ON2 | NCC1(O)CC[NH2+]CC1 |
|
AD40478 | -1.99 | 142.23 | C7H16N3 | NC1CCNC2(C[NH2+]C2)C1 |
|
AD40479 | -1.48 | 159.21 | C7H15O2N2 | COC(=O)C1CC([NH3+])CCN1 |
|
AD40480 | -1.48 | 159.21 | C7H15O2N2 | COC(=O)C1CCC([NH3+])CN1 |