aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39151 | -0.23 | 230.27 | C11H14N6 | C[NH+]1CCC(=Nc2ncnc3c2N=C[N]3)CC1 |
|
AD39152 | 0.14 | 305.34 | C13H13O3N4S | NC(=O)C1=C(NS(=O)(=O)c2ccc(C3CC3)cc2)[N]C=N1 |
|
AD39153 | 1.76 | 268.26 | C13H10O2N5 | O=C(O)Cc1cccc(Nc2ncnc3c2N=C[N]3)c1 |
|
AD39154 | 2.35 | 201.22 | C12H11O2N | Cc1ccc(-c2ccc(C(N)=O)cc2)o1 |
|
AD39155 | 1.85 | 198.22 | C12H10ON2 | NC(=O)c1ccncc1-c1ccccc1 |
|
AD39156 | 1.46 | 315.55 | C9H3O2N5Cl3S | O=S(=O)(Nc1ncnc2c1N=C[N]2)C(Cl)(Cl)Cl |
|
AD39157 | 2.24 | 284.72 | C12H9O3N2ClS | O=S(=O)(Nc1ccc(O)cc1)c1cnccc1Cl |
|
AD39158 | 1.55 | 308.73 | C12H7O2N5ClS | O=S(=O)(Nc1ncnc2c1C=C[N]2)c1cnccc1Cl |
|
AD39159 | 0.78 | 311.34 | C12H15O4N4S | CCOC(=O)C(C)(C)S(=O)(=O)Nc1ncnc2c1C=C[N]2 |
|
AD39160 | 0.31 | 282.31 | C10H12O3N5S | O=S(=O)(CC1CCCO1)Nc1ncnc2c1N=C[N]2 |