aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15011 | 0.98 | 285.31 | C14H15O2N5 | Nc1nc(OCc2ccccc2)c2ncn(CCO)c2n1 |
|
AD15012 | 1.88 | 277.35 | C13H15O2N3S | CNCc1ccc(OCC(=O)Nc2nccs2)cc1 |
|
AD15013 | 4.78 | 266.79 | C15H15OClS | CCCOc1ccc(Cc2ccsc2Cl)cc1 |
|
AD15014 | 0.83 | 183.58 | C7H4ON4Cl | Oc1nc(CCl)nc2c1N=C[N]2 |
|
AD15015 | 2.63 | 246.24 | C13H11O2N2F | CNc1cc(F)cc(-c2ccc(C(=O)O)cn2)c1 |
|
AD15016 | 3.47 | 308.79 | C15H13O2N2ClS | COc1ccc(Cl)cc1NC(=O)CSc1ccccn1 |
|
AD15017 | 1.38 | 389.42 | C16H17O4N6S | O=[N+]([O-])c1ccc(CSc2nc(N(CCO)CCO)nc3c2N=C[N]3)cc1 |
|
AD15018 | 0.24 | 103.16 | C5H13ON | CNC(C)COC |
|
AD15019 | -0.15 | 134.12 | C6H4ON3 | O=C1CC=NC2=C1C=N[N]2 |
|
AD15020 | 0.36 | 447.4 | C18H15O3N12 | O=C(NCC1=C[N]N=N1)c1cc(C(=O)NCC2=C[N]N=N2)cc(C(=O)NCC2=C[N]N=N2)c1 |