aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD38061 | 1.93 | 283.27 | C13H11O2N6 | CN(Cc1ccccc1[N+](=O)[O-])c1ncnc2c1N=C[N]2 |
|
AD38062 | 2.12 | 248.69 | C8H9O2N4ClS | CCCSc1nc(N)c([N+](=O)[O-])c(Cl)n1 |
|
AD38063 | 2.15 | 245.24 | C12H11O3N3 | Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 |
|
AD38064 | 1.95 | 246.06 | C7H8O2N3Br | Cc1nc(N)c([N+](=O)[O-])c(C)c1Br |
|
AD38065 | 2.13 | 238.24 | C11H14O4N2 | CC(C)(C)OC(=O)c1ccc(N)cc1[N+](=O)[O-] |
|
AD38066 | 0.32 | 276.23 | C11H10O4N5 | COc1ccc(NC2=C(C(N)=O)N=C[N]2)cc1[N+](=O)[O-] |
|
AD38067 | 1.08 | 258.25 | C11H14O2N3F2 | [NH3+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 |
|
AD38068 | 0.09 | 255.29 | C12H19O4N2 | COc1ccc(CC(C)[NH2+]CCO)c([N+](=O)[O-])c1 |
|
AD38069 | 1.71 | 270.27 | C13H12O2N5 | COc1ccc(O)c(CNc2ncnc3c2N=C[N]3)c1 |
|
AD38070 | 1.97 | 247.32 | C12H13ON3S | CN(C)c1ccc(-c2nc(C(N)=O)cs2)cc1 |