aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12101 | -0.33 | 161.15 | C6H5N6 | N=C(N)c1ncnc2c1N=C[N]2 |
|
AD12102 | 3.05 | 361.4 | C18H23O5N3 | CCCCCCCOC(c1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)[nH]c1=O |
|
AD12103 | 3.09 | 228.29 | C15H16O2 | Cc1cc(C(O)c2ccccc2C)ccc1O |
|
AD12104 | 5.46 | 344.54 | C22H36ON2 | CONCCCCCCCCCCC#CCCCCc1cccnc1 |
|
AD12105 | 1.96 | 280.36 | C16H24O4 | CC1CCCC=CC2CC(O)CC2C(O)C=CC(=O)O1 |
|
AD12106 | 1.3 | 283.32 | C7H14O3N3PS2 | CCOP(=S)(NN1C(=N)SCC1=O)OCC |
|
AD12107 | 4.44 | 292.33 | C19H16O3 | COc1c(-c2ccccc2)cc(O)c(-c2ccccc2)c1O |
|
AD12108 | -3.16 | 654.74 | C28H42O10N6S | CN(C)c1cccc2c(S(=O)(=O)N(CCO)CC(=O)N(CCO)CC(=O)N(CCO)CC(=O)N(CCO)CC(N)=O)cccc12 |
|
AD12109 | 4.77 | 320.42 | C19H16ON2S | CC(C)c1ccc(-c2cc(-c3cccs3)[nH]c(=O)c2C#N)cc1 |
|
AD12110 | -1.02 | 165.13 | C6H5O2N4 | Cn1c(=O)[nH]c2c(c1=O)N=C[N]2 |