aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35131 | -0.3 | 247.19 | C9H7O3N6 | NC(=O)C1=C(Nc2ccc([N+](=O)[O-])nc2)[N]C=N1 |
|
AD35132 | 2.22 | 210.24 | C13H10ON2 | Nc1ccc2[nH]c3ccccc3cc-2c1=O |
|
AD35133 | 0.01 | 261.22 | C10H9O3N6 | Cc1ncc([N+](=O)[O-])cc1NC1=C(C(N)=O)N=C[N]1 |
|
AD35134 | 1.13 | 220.19 | C9H8O3N4 | COc1cc2ncnc(N)c2cc1[N+](=O)[O-] |
|
AD35135 | 0.41 | 232.58 | C7H5O4N4Cl | COC(=O)c1nc(Cl)nc(N)c1[N+](=O)[O-] |
|
AD35136 | 1.34 | 220.64 | C6H5O2N4ClS | CSc1nc(Cl)nc(N)c1[N+](=O)[O-] |
|
AD35137 | 1.34 | 220.64 | C6H5O2N4ClS | CSc1nc(N)c([N+](=O)[O-])c(Cl)n1 |
|
AD35138 | 1.94 | 230.23 | C11H10O2N4 | Cc1cc(N)nc(-c2ccc([N+](=O)[O-])cc2)n1 |
|
AD35139 | 0.7 | 216.22 | C6H8O3N4S | COc1nc(SC)nc(N)c1[N+](=O)[O-] |
|
AD35140 | 0.12 | 240.06 | C5H10O3N3Br | NC1CC([N+](=O)[O-])CC(Br)N1O |