aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22351 | 3.75 | 311.16 | C17H12O3Cl2 | O=C(Oc1ccc(CCO)cc1)c1cccc(Cl)c1Cl |
|
AD22352 | 4.12 | 304.39 | C18H24O4 | CCCC=CC=CCCc1cc(O)cc(O)c1C(=O)OCC |
|
AD22353 | 2.77 | 217.29 | C12H11ONS | CNC(=O)c1ccc(-c2ccccc2)s1 |
|
AD22354 | 1.29 | 341.05 | C3H10O10N3P3 | COP(=O)(O)OP(=O)(O)OP(=O)(O)OCCN=[N+]=[N-] |
|
AD22355 | 1.32 | 161.16 | C8H7ON3 | Nc1ccc(-c2ncon2)cc1 |
|
AD22356 | 3.41 | 364.42 | C18H20O6S | C=CC(O)c1ccc(O)c(-c2cc(CCC)ccc2OS(=O)(=O)O)c1 |
|
AD22357 | -0.05 | 243.15 | C9H10O5NP | CNC(=O)OC(c1ccccc1)P(=O)([O-])[O-] |
|
AD22358 | 2.36 | 497.44 | C22H21O8N6 | CCOC(=O)C1=C(C)Oc2nc(C)n(CC3=C[N]N=N3)c(=O)c2C1c1cc(OC)c(O)c([N+](=O)[O-])c1 |
|
AD22359 | 2.32 | 392.24 | C18H19O6NCl2 | CCc1c(Cl)c(OCC(=O)N2CCC(O)CC2)c(Cl)c(O)c1C(=O)O |
|
AD22360 | 2.83 | 290.71 | C14H10N5FCl | Fc1ccccc1CCNc1nc(Cl)nc2c1N=C[N]2 |