aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD32431 | 2.5 | 225.04 | C8H5ON2Br | Brc1cccc(-c2nnco2)c1 |
|
AD32432 | 1.87 | 230.3 | C12H16N5 | CC(C)C1CCN(c2ncnc3c2N=C[N]3)C1 |
|
AD32433 | 0.96 | 241.69 | C8H6N6ClS | CNC(=S)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD32434 | 0.91 | 224.24 | C8H7N5FS | CNC(=S)Nc1ncnc2c1C(F)=C[N]2 |
|
AD32435 | 1.15 | 232.29 | C10H10N5S | S=C(Nc1ncnc2c1C=C[N]2)NC1CC1 |
|
AD32436 | 0.45 | 236.64 | C10H7ON5Cl | NC(=O)C1=C(Nc2cnccc2Cl)[N]C=N1 |
|
AD32437 | -0.25 | 216.62 | C9H9O3N2Cl | O=C(NCCO)c1ccc(Cl)[nH]c1=O |
|
AD32438 | 2.15 | 196.06 | C7H3ONCl2S | NC(=O)c1cc(Cl)c(Cl)s1 |
|
AD32439 | 2.16 | 205.13 | C8H6O2NF3 | NC(=O)Oc1ccccc1C(F)(F)F |
|
AD32440 | 1.87 | 195.16 | C6H4ONF3S | NC(=O)c1sccc1C(F)(F)F |