aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34581 | 0.34 | 215.26 | C6H5O2N3S2 | NS(=O)(=O)c1ccc2nsnc2c1 |
|
AD34582 | 0.49 | 237.08 | C5H5O2N2SBr | NS(=O)(=O)c1cncc(Br)c1 |
|
AD34583 | 1.55 | 213.28 | C8H7O2NS2 | NS(=O)(=O)c1csc2ccccc12 |
|
AD34584 | 0.15 | 235.23 | C9H11O2N6 | COCCNC(=O)Nc1ncnc2c1N=C[N]2 |
|
AD34585 | 0.76 | 252.23 | C10H11O2N5F | COCCNC(=O)Nc1ncnc2c1C(F)=C[N]2 |
|
AD34586 | 1.53 | 217.15 | C9H6O2NF3 | NC(=O)c1ccc(C(=O)C(F)(F)F)cc1 |
|
AD34587 | -1.45 | 246.26 | C10H18O5N2 | CC(=O)NC(C)C(=O)OC(C)C(=O)NCCO |
|
AD34588 | 1.34 | 221.26 | C12H15O3N | NC(=O)c1ccc(OCC2CCCO2)cc1 |
|
AD34589 | -0.62 | 233.23 | C10H11O2N5 | O=C(NCCO)c1cccc(-n2cnnn2)c1 |
|
AD34590 | 0.05 | 246.27 | C12H14O2N4 | O=C(NCCO)c1ccc(Cn2cncn2)cc1 |