aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34181 | 1.14 | 231.25 | C12H13O2N3 | CC(=O)c1cccc(-c2cn(CCO)nn2)c1 |
|
AD34182 | 1.0 | 232.29 | C12H16ON4 | CN(C)c1ccc(-c2cn(CCO)nn2)cc1 |
|
AD34183 | 0.5 | 217.23 | C11H11O2N3 | O=C(c1ccccc1)c1cn(CCO)nn1 |
|
AD34184 | 0.99 | 224.65 | C10H9ON4Cl | OCCn1cc(-c2ccc(Cl)nc2)nn1 |
|
AD34185 | 0.99 | 224.65 | C10H9ON4Cl | OCCn1cc(-c2cccc(Cl)n2)nn1 |
|
AD34186 | 0.95 | 219.24 | C11H13O2N3 | COc1ccc(-c2cn(CCO)nn2)cc1 |
|
AD34187 | 1.06 | 217.27 | C12H15ON3 | OCCn1cc(CCc2ccccc2)nn1 |
|
AD34188 | 0.23 | 213.24 | C9H15O3N3 | CC(C)(C)OC(=O)c1cn(CCO)nn1 |
|
AD34189 | 1.37 | 222.25 | C9H8O2N3S | CS(=O)(=O)c1ccc(C2=C[N]N=N2)cc1 |
|
AD34190 | -0.28 | 213.24 | C9H15O3N3 | COC(=O)C(C)(C)c1cn(CCO)nn1 |