aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD38021 | 0.52 | 252.36 | C14H23N3F | CC(C)[NH+]1CCN(Cc2ccc(N)c(F)c2)CC1 |
|
AD38022 | 0.03 | 272.36 | C14H20N6 | C1=Nc2c(ncnc2N2CCCC([NH+]3CCCC3)C2)[N]1 |
|
AD38023 | 2.22 | 272.34 | C12H12N6S | Cc1cc(Nc2[nH]c(=S)nc3c2N=C[N]3)cc(C)[nH+]1 |
|
AD38024 | -0.42 | 285.35 | C15H19ON5 | NC(=O)C1=C(Nc2cccc(C[NH+]3CCCC3)c2)[N]C=N1 |
|
AD38025 | -1.08 | 289.34 | C14H19O2N5 | C[NH+](C)CCOc1ccc(NC2=C(C(N)=O)N=C[N]2)cc1 |
|
AD38026 | 0.48 | 247.32 | C13H19ON4 | C[NH+](C)CCn1cc(Nc2ccc(O)cc2)cn1 |
|
AD38027 | 0.5 | 274.37 | C14H22N6 | CC1CC[NH+](CCCNc2ncnc3c2N=C[N]3)CC1 |
|
AD38028 | 0.03 | 272.36 | C14H20N6 | C1=Nc2c(ncnc2N2CC[NH+](C3CCCC3)CC2)[N]1 |
|
AD38029 | -0.12 | 290.37 | C14H22ON6 | COCCC[NH+]1CCC(Nc2ncnc3c2N=C[N]3)CC1 |
|
AD38030 | 0.42 | 286.38 | C15H22N6 | C1=Nc2c(ncnc2N2CCCC2C[NH+]2CCCCC2)[N]1 |