aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD29081 | -0.31 | 179.25 | C9H15N4 | [NH3+]C1CCN(c2ncccn2)CC1 |
|
AD29082 | -1.23 | 203.26 | C9H19O3N2 | CCOC(=O)N1CCC([NH2+]CCO)C1 |
|
AD29083 | -0.15 | 173.24 | C8H17O2N2 | CCOC(=O)N1CCC([NH3+])CC1 |
|
AD29084 | -1.88 | 194.28 | C7H16O3NS | O=S1(=O)CCC([NH2+]CCO)CC1 |
|
AD29085 | 0.79 | 178.25 | C11H16ON | COc1cccc2c1CCC([NH3+])C2 |
|
AD29086 | 0.35 | 172.25 | C9H18O2N | COC(=O)CC1CCC([NH3+])CC1 |
|
AD29087 | -1.35 | 179.27 | C6H15O2N2S | CS(=O)(=O)N1CCC([NH3+])CC1 |
|
AD29088 | 0.74 | 186.27 | C10H20O2N | CCOC(=O)CC1CCC([NH3+])CC1 |
|
AD29089 | 0.74 | 186.27 | C10H20O2N | CCOC(=O)C1(C)CCC([NH3+])CC1 |
|
AD29090 | -1.3 | 199.27 | C10H19O2N2 | O=C1CCC2CC([NH2+]CCO)CCN12 |