aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42261 | 1.77 | 219.28 | C13H16N2F | N#CC1(c2ccc(F)cc2)CCC([NH3+])CC1 |
|
AD42262 | 1.57 | 319.35 | C17H15ON6 | CC#CC(=O)N(CCc1ccc(N)cc1)c1ncnc2c1N=C[N]2 |
|
AD42263 | 2.2 | 292.29 | C13H9O3N2FS | N#Cc1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1F |
|
AD42264 | 2.21 | 288.33 | C14H12O3N2S | N#Cc1ccc(CS(=O)(=O)Nc2ccc(O)cc2)cc1 |
|
AD42265 | 1.99 | 315.37 | C17H21O3N3 | CC(C)(C)OC(=O)N1CC(C(N)=O)C(c2ccccc2C#N)C1 |
|
AD42266 | 2.21 | 329.4 | C18H23O3N3 | CC(C)(C)OC(=O)N1CC(Cc2ccccc2C#N)CC1C(N)=O |
|
AD42267 | 0.88 | 316.1 | C10H9O2N2I | N#Cc1ccc(I)c(C(=O)NCCO)c1 |
|
AD42268 | 2.2 | 304.35 | C19H16O2N2 | NC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21 |
|
AD42269 | 0.88 | 316.1 | C10H9O2N2I | N#Cc1ccc(I)cc1C(=O)NCCO |
|
AD42270 | 1.72 | 344.09 | C9H7O2N5I | C=CCOC(=O)Nc1nc(I)nc2c1N=C[N]2 |