aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43831 | 2.97 | 288.29 | C12H8O3N4S | Nc1nc(Oc2cccc([N+](=O)[O-])c2)c2sccc2n1 |
|
AD43832 | 3.31 | 325.32 | C17H15O4N3 | COc1ccc([N+](=O)[O-])cc1OCc1cc2ccccc2nc1N |
|
AD43833 | 2.76 | 334.11 | C11H6O2N6Br | O=[N+]([O-])c1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1 |
|
AD43834 | 0.61 | 168.16 | C6H8O2N4 | CNc1cc([N+](=O)[O-])cnc1N |
|
AD43835 | 0.88 | 153.14 | C6H7O2N3 | Cc1cc(N)ncc1[N+](=O)[O-] |
|
AD43836 | 0.58 | 169.14 | C6H7O3N3 | COc1ccc(N)nc1[N+](=O)[O-] |
|
AD43837 | 0.58 | 169.14 | C6H7O3N3 | COc1cc(N)cnc1[N+](=O)[O-] |
|
AD43838 | 2.62 | 295.38 | C13H13O3NS2 | CCN1C(=O)C(=Cc2ccc(O)c(OC)c2)SC1=S |
|
AD43839 | 0.42 | 368.37 | C20H18O6N | CC(=O)C1([NH3+])Cc2c(O)c3c(c(O)c2C(O)C1)C(=O)c1ccccc1C3=O |
|
AD43840 | 2.24 | 310.31 | C18H14O5 | O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)CCCC3O |