aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35141 | 1.09 | 221.22 | C10H11O3N3 | CC(=O)N1CCc2cc(N)cc([N+](=O)[O-])c21 |
|
AD35142 | 1.33 | 218.01 | C5H4O2N3Br | Nc1cc([N+](=O)[O-])cc(Br)n1 |
|
AD35143 | 0.97 | 226.19 | C9H10O5N2 | COC(=O)c1cc([N+](=O)[O-])c(N)cc1OC |
|
AD35144 | 0.58 | 216.22 | C7H8O4N2S | CS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 |
|
AD35145 | 1.33 | 218.01 | C5H4O2N3Br | Nc1nccc(Br)c1[N+](=O)[O-] |
|
AD35146 | 0.81 | 222.27 | C11H16O2N3 | [NH3+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 |
|
AD35147 | -0.3 | 226.26 | C10H16O3N3 | C[NH+](C)CCOc1cc(N)ccc1[N+](=O)[O-] |
|
AD35148 | -0.11 | 247.25 | C12H13O3N3 | O=C(NCCO)c1cc(=O)n(-c2ccccc2)[nH]1 |
|
AD35149 | -1.04 | 234.3 | C7H10O3N2S2 | O=C(CN1C(=O)CSC1=S)NCCO |
|
AD35150 | 1.34 | 253.25 | C11H9N8 | Nc1ncnc2c1N=C(N=NCc1ccncc1)[N]2 |