aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19431 | 0.98 | 262.34 | C12H14ON4S | CCCN1C(=O)C(=NNC(N)=S)c2ccccc21 |
|
AD19432 | -1.5 | 366.33 | C16H18O8N2 | NC(=O)COC1OC(C(=O)NCc2ccc3c(c2)OCO3)=CC(O)C1O |
|
AD19433 | 1.81 | 324.41 | C17H16ON4S | NC(=S)NN=C1C(=O)N(CCc2ccccc2)c2ccccc21 |
|
AD19434 | 0.74 | 299.7 | C10H6O3N5ClS | NC(=S)NN=C1C(=O)Nc2c1cc(Cl)cc2[N+](=O)[O-] |
|
AD19435 | 3.41 | 362.43 | C22H22O3N2 | COCCNC(=O)c1ccc2c3c([nH]c2c1)C(C)(C)c1ccccc1C3=O |
|
AD19436 | 5.09 | 320.39 | C21H20O3 | CC(C)Oc1ccc2c3c(oc2c1)C(C)(C)c1ccccc1C3=O |
|
AD19437 | -0.01 | 166.18 | C7H10ON4 | CN(C)C=Nc1cc[nH]c(=O)n1 |
|
AD19438 | 0.7 | 126.16 | C6H10ON2 | CNCc1cc(C)on1 |
|
AD19439 | 1.26 | 454.46 | C22H31O8P | CO[P+]([O-])(O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C |
|
AD19440 | 0.86 | 165.2 | C6H5N4S | Nc1cc(S)c2c(n1)[N]C=N2 |