aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42651 | 0.99 | 168.17 | C8H9ON2F | NC(=O)NCc1cccc(F)c1 |
|
AD42652 | 2.75 | 366.14 | C12H9ON5I | Cc1ccc(Nc2nc(I)nc3c2N=C[N]3)cc1O |
|
AD42653 | 2.87 | 319.14 | C12H9ON5Br | Cc1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1O |
|
AD42654 | 2.17 | 324.16 | C11H12ON6Br | O=C(Nc1ncnc2c1N=C(Br)[N]2)NC1CCCC1 |
|
AD42655 | -0.1 | 225.25 | C10H15O3N3 | CCC1(CNc2c[nH]c(=O)[nH]c2=O)COC1 |
|
AD42656 | 3.37 | 328.44 | C18H20O2N2S | Cc1cc(C(=O)Nc2ccc(S)cc2)ccc1N1CCOCC1 |
|
AD42657 | 0.6 | 128.17 | C6H12ON2 | NC(=O)NC1CCCC1 |
|
AD42658 | 2.61 | 210.73 | C13H17NCl | [NH3+]C1CCC(c2ccc(Cl)cc2)CC1 |
|
AD42659 | 1.76 | 309.35 | C16H17ON6 | CC(CCc1ccccc1)C(=O)n1c(N)c2c(nc1=N)[N]C=N2 |
|
AD42660 | 1.22 | 232.27 | C11H14ON5 | CCC1(CNc2ncnc3c2N=C[N]3)COC1 |