aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40041 | 1.04 | 208.28 | C12H18O2N | CCOC(=O)c1ccc(CC(C)[NH3+])cc1 |
|
AD40042 | 1.49 | 263.32 | C12H13O2N3S | CN(c1ccccc1)S(=O)(=O)c1cccnc1N |
|
AD40043 | 0.72 | 280.14 | C8H10O3NSBr | O=S(=O)(NCCO)c1ccccc1Br |
|
AD40044 | 0.72 | 280.14 | C8H10O3NSBr | O=S(=O)(NCCO)c1cccc(Br)c1 |
|
AD40045 | 1.76 | 206.31 | C13H20ON | [NH3+]C1CCC(OCc2ccccc2)CC1 |
|
AD40046 | 1.6 | 305.33 | C15H13N8 | CN(Cc1cnn(-c2ccccc2)n1)c1ncnc2c1N=C[N]2 |
|
AD40047 | 1.38 | 302.29 | C14H13O2N5F | OC(CNc1ncnc2c1N=C[N]2)COc1cccc(F)c1 |
|
AD40048 | 2.27 | 274.75 | C15H15N4Cl | Nc1nc(Cl)nc2c1CCN(Cc1ccccc1)C2 |
|
AD40049 | 2.03 | 275.54 | C9H5O2N2Cl3S | CS(=O)(=O)c1c(N)c(Cl)nc(Cl)c1Cl |
|
AD40050 | 1.66 | 277.06 | C8H8O2NI | COC(=O)c1c(N)cccc1I |