aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40001 | 1.42 | 228.25 | C12H12ON4 | OCCn1cc(-c2c[nH]c3ccccc23)nn1 |
|
AD40002 | 1.66 | 235.31 | C11H13ON3S | CSc1cccc(-c2cn(CCO)nn2)c1 |
|
AD40003 | 1.59 | 223.66 | C11H10ON3Cl | OCCn1cc(-c2cccc(Cl)c2)nn1 |
|
AD40004 | 1.49 | 240.27 | C13H12ON4 | OCCn1cc(-c2ccc3ncccc3c2)nn1 |
|
AD40005 | 1.65 | 229.69 | C9H8ON3ClS | OCCn1cc(-c2ccc(Cl)s2)nn1 |
|
AD40006 | 1.59 | 223.66 | C11H10ON3Cl | OCCn1cc(-c2ccc(Cl)cc2)nn1 |
|
AD40007 | 1.49 | 240.27 | C13H12ON4 | OCCn1cc(-c2cccc3cccnc23)nn1 |
|
AD40008 | 1.34 | 233.27 | C12H15O2N3 | CCOc1ccc(-c2cn(CCO)nn2)cc1 |
|
AD40009 | 1.49 | 240.27 | C13H12ON4 | OCCn1cc(-c2cc3ccccc3cn2)nn1 |
|
AD40010 | 1.49 | 240.27 | C13H12ON4 | OCCn1cc(-c2nccc3ccccc23)nn1 |