aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11741 | 0.48 | 178.13 | C6H4O2N5 | Nc1cc([N+](=O)[O-])nc2c1N=C[N]2 |
|
AD11742 | 3.8 | 298.37 | C16H14O2N2S | COc1ccc(-c2c(C(C)=O)c(C)[nH]c(=S)c2C#N)cc1 |
|
AD11743 | 4.42 | 271.75 | C17H14ONCl | COc1ccccc1Cc1c[nH]c2cccc(Cl)c12 |
|
AD11744 | 0.79 | 144.17 | C7H12O3 | CC(O)CCC=CC(=O)O |
|
AD11745 | -1.93 | 286.28 | C12H18O6N2 | NC(=O)COC1OC(C(=O)N2CCCC2)=CC(O)C1O |
|
AD11746 | 2.83 | 374.31 | C16H11ON7F3 | OCc1cnn(-c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)N=C[N]3)c1 |
|
AD11747 | 3.36 | 329.39 | C19H17N6 | Nc1nc2c(c(NC(Cc3ccccc3)c3ccccc3)n1)N=C[N]2 |
|
AD11748 | 3.03 | 406.15 | C14H8O5N5Br | O=C1Nc2cc([N+](=O)[O-])c(Br)cc2C1=NNc1ccc([N+](=O)[O-])cc1 |
|
AD11749 | -0.26 | 853.93 | C43H51O10N9 | CC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(=O)O)NC(=O)C(N)CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O |
|
AD11750 | -0.25 | 90.12 | C4H10O2 | CC(O)C(C)O |