aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD33061 | -0.28 | 208.28 | C12H18O2N | COc1ccc2c(c1)CC([NH2+]CCO)C2 |
|
AD33062 | -0.28 | 234.31 | C11H18N6 | CC[NH+](CC)CCNc1ncnc2c1N=C[N]2 |
|
AD33063 | 0.16 | 234.31 | C11H18N6 | CC(C)(C)[NH2+]CCNc1ncnc2c1N=C[N]2 |
|
AD33064 | -0.28 | 234.31 | C11H18N6 | CC(CC[NH+](C)C)Nc1ncnc2c1N=C[N]2 |
|
AD33065 | 1.45 | 212.7 | C12H15ONCl | COc1ccc(Cl)c2c1CC([NH3+])CC2 |
|
AD33066 | 1.79 | 200.17 | C6H4O4N2S | O=[N+]([O-])c1ccc(S)c([N+](=O)[O-])c1 |
|
AD33067 | 1.73 | 189.17 | C9H7O2N3 | Nc1ccc2cc([N+](=O)[O-])ccc2n1 |
|
AD33068 | 1.45 | 193.21 | C9H11O2N3 | Nc1nc2c(cc1[N+](=O)[O-])CCCC2 |
|
AD33069 | 1.73 | 189.17 | C9H7O2N3 | Nc1nccc2c([N+](=O)[O-])cccc12 |
|
AD33070 | 1.87 | 195.22 | C9H13O2N3 | CC(C)(C)c1cnc(N)c([N+](=O)[O-])c1 |