aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD33661 | -0.21 | 237.35 | C12H17ON2S | O=CN1CC2CC(C1)[NH+]2CCc1cccs1 |
|
AD33662 | -0.52 | 229.37 | C11H21ON2S | CSCCC[NH+]1CCC2CN(C=O)CC21 |
|
AD33663 | -0.37 | 229.37 | C11H21ON2S | CSCCC[NH+]1CCC2C1CCN2C=O |
|
AD33664 | -1.14 | 245.37 | C11H21O2N2S | CSCCC[NH+]1CC2CN(C=O)CC(C1)O2 |
|
AD33665 | -0.12 | 243.4 | C12H23ON2S | CSCCC[NH+]1CCCC2(CN(C=O)C2)C1 |
|
AD33666 | -0.17 | 237.24 | C10H16ON2F3 | O=CN1CC2CCC(C1)[NH+]2CCC(F)(F)F |
|
AD33667 | -0.31 | 237.24 | C10H16ON2F3 | O=CN1CCC2(C1)C[NH+](CCC(F)(F)F)C2 |
|
AD33668 | 0.07 | 245.31 | C13H17ON4 | C[NH+]1CCN(c2ccccc2-c2ncon2)CC1 |
|
AD33669 | 0.07 | 248.29 | C12H16O2N4 | OC1(CNc2[nH+]cnc3c2C=C[N]3)CCOCC1 |
|
AD33670 | -0.16 | 264.29 | C12H16O3N4 | CCOC(=O)CC(O)CNc1[nH+]cnc2c1C=C[N]2 |