aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD33051 | 1.55 | 211.72 | C12H16N2Cl | [NH3+]C1CCN(c2ccc(Cl)cc2)CC1 |
|
AD33052 | 1.55 | 189.24 | C11H13ON2 | COc1ccc2[nH+]c(C)cc(N)c2c1 |
|
AD33053 | 0.83 | 197.28 | C11H18N2F | CC[NH+](CC)Cc1cccc(N)c1F |
|
AD33054 | -0.05 | 217.33 | C11H25O2N2 | CC1(C)CC([NH2+]CCO)CC(C)(C)N1O |
|
AD33055 | -0.34 | 216.3 | C11H22O3N | COC(=O)CC1CCC([NH2+]CCO)CC1 |
|
AD33056 | 0.05 | 218.32 | C11H24O3N | CCCCOC(=O)CCC(C)[NH2+]CCO |
|
AD33057 | -0.42 | 234.31 | C11H18N6 | CC(CNc1ncnc2c1N=C[N]2)C[NH+](C)C |
|
AD33058 | 1.04 | 195.26 | C11H16N2F | [NH3+]C1CCN(c2cccc(F)c2)CC1 |
|
AD33059 | 0.94 | 200.3 | C11H22O2N | CC1(C)COC2(CCC([NH3+])CC2)OC1 |
|
AD33060 | 1.55 | 211.72 | C12H16N2Cl | [NH3+]C1CCN(c2ccccc2Cl)CC1 |