aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35101 | -0.51 | 241.38 | C12H21ON2S | O=CN1CC2(C1)C[NH+](CC1CCSCC1)C2 |
|
AD35102 | -1.37 | 239.32 | C11H15O2N2S | O=CN1CC2(C1)C[NH+](CC1OC=CC1=S)C2 |
|
AD35103 | -0.12 | 243.4 | C12H23ON2S | CCSCC[NH+]1CCC2(CC1)CN(C=O)C2 |
|
AD35104 | -0.51 | 229.37 | C11H21ON2S | CCSCC[NH+]1CC2(CCN(C=O)C2)C1 |
|
AD35105 | -0.13 | 229.32 | C12H22ON2F | O=CN1CC2(CC[NH+](CCCCF)CC2)C1 |
|
AD35106 | -2.73 | 244.31 | C11H22O3N3 | NC(=O)C1CC[NH+](CCC(=O)NCCO)CC1 |
|
AD35107 | -0.58 | 256.31 | C13H16N6 | C1=CC[NH+](C2CCN(c3ncnc4c3N=C[N]4)C2)C1 |
|
AD35108 | -0.5 | 246.32 | C12H18N6 | C[NH+](C)C1CCN(c2ncnc3c2N=C[N]3)CC1 |
|
AD35109 | -0.5 | 246.32 | C12H18N6 | CC1C([NH+](C)C)CCN1c1ncnc2c1N=C[N]2 |
|
AD35110 | -0.64 | 246.32 | C12H18N6 | C[NH+](C)CC1CCN(c2ncnc3c2N=C[N]3)C1 |