aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD26641 | 0.57 | 139.11 | C5H5O2N3 | Nc1cc([N+](=O)[O-])ccn1 |
|
AD26642 | 0.71 | 157.1 | C5H4O2N3F | Nc1ncc([N+](=O)[O-])cc1F |
|
AD26643 | 0.71 | 157.1 | C5H4O2N3F | Nc1ncc(F)cc1[N+](=O)[O-] |
|
AD26644 | 0.57 | 139.11 | C5H5O2N3 | Nc1cccc([N+](=O)[O-])n1 |
|
AD26645 | 0.88 | 153.14 | C6H7O2N3 | Cc1ccnc(N)c1[N+](=O)[O-] |
|
AD26646 | 0.28 | 154.13 | C5H6O2N4 | Cc1nc(N)ncc1[N+](=O)[O-] |
|
AD26647 | -0.33 | 145.18 | C6H13O2N2 | [NH3+]C1CCC(C[N+](=O)[O-])C1 |
|
AD26648 | -0.38 | 183.17 | C6H9O2N5 | CN(C)N=Nc1c[nH]c(=O)[nH]c1=O |
|
AD26649 | 0.92 | 151.17 | C7H9ON3 | Cc1nc(C#N)c(N(C)C)o1 |
|
AD26650 | -0.02 | 188.17 | C8H6ON5 | C#CCOc1nc(N)c2c(n1)[N]C=N2 |