aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40811 | 1.84 | 286.52 | C9H5N5ClBr | Cn1c(Br)c(C#N)c2c(N)nc(Cl)nc21 |
|
AD40812 | -1.29 | 240.22 | C9H12O4N4 | CC1CN(O)C(=O)C1Nc1c[nH]c(=O)[nH]c1=O |
|
AD40813 | -0.55 | 352.41 | C13H24O7N2S | CC(C)(C)OC(=O)N1CC(OS(C)(=O)=O)CC1C(=O)NCCO |
|
AD40814 | -0.17 | 308.36 | C11H20O6N2S | CC(C)(C)OC(=O)N1CC(OS(C)(=O)=O)CC1C(N)=O |
|
AD40815 | 0.95 | 304.38 | C14H16O2N4S | C#CCN(Cc1cn(C)nn1)S(=O)(=O)c1ccc(C)cc1 |
|
AD40816 | 1.45 | 289.34 | C13H13O2N4S | C#CCN(CC1=C[N]N=N1)S(=O)(=O)c1ccc(C)cc1 |
|
AD40817 | 0.08 | 300.38 | C18H22O3N | COc1ccc2c3c1OC1C(O)C=CC4C(C2)[NH+](C)CCC341 |
|
AD40818 | 0.21 | 286.35 | C17H20O3N | C[NH+]1CCC23c4c5ccc(O)c4OC2C(=O)CCC3C1C5 |
|
AD40819 | -0.31 | 249.32 | C11H19N7 | Nc1ncnc2c1N=C(NCCCCCC[NH3+])[N]2 |
|
AD40820 | 1.53 | 427.4 | C22H15O4N6 | O=C(Nc1nc2c(c(=O)[nH]1)N=C[N]2)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O |