aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35461 | 0.54 | 238.29 | C12H18O3N2 | CC1CC(O)C(O)C(Nc2ccccc2N)O1 |
|
AD35462 | 1.81 | 225.29 | C9H7O2NS2 | C=C(c1ccco1)C1SC(=S)NC1=O |
|
AD35463 | 2.18 | 221.31 | C10H7ONS2 | O=C1NC(=S)SC1=Cc1ccccc1 |
|
AD35464 | 1.54 | 242.22 | C10H8ON7 | Nc1ncnc2c1N=C(N=NCc1ccco1)[N]2 |
|
AD35465 | 2.01 | 258.29 | C10H8N7S | Nc1ncnc2c1N=C(N=NCc1cccs1)[N]2 |
|
AD35466 | 0.92 | 252.26 | C12H10N7 | Nc1ncnc2c1N=C(NN=Cc1ccccc1)[N]2 |
|
AD35467 | 1.15 | 263.32 | C12H19ON6 | CCCCCCCNC1=Nc2c(nc(N)[nH]c2=O)[N]1 |
|
AD35468 | 1.61 | 279.17 | C9H8O4N3F3 | O=C(O)CNNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] |
|
AD35469 | 2.22 | 242.33 | C14H18N4 | c1ccc(NNCCNNc2ccccc2)cc1 |
|
AD35470 | -0.4 | 137.08 | C4HO2N4 | N#CC1=C([N+](=O)[O-])N=C[N]1 |