aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39451 | 2.27 | 270.32 | C13H10ON4S | O=C(Nc1ccc(S)cc1)c1nnc2ccccn12 |
|
AD39452 | 0.82 | 284.11 | C10H10O2N3Br | O=C(NCCO)c1cnc2cc(Br)ccn12 |
|
AD39453 | 0.82 | 284.11 | C10H10O2N3Br | O=C(NCCO)c1nn2ccccc2c1Br |
|
AD39454 | 0.9 | 288.1 | C10H10O4NBr | O=C(NCCO)c1c(Br)ccc2c1OCO2 |
|
AD39455 | 2.27 | 270.32 | C13H10ON4S | O=C(Nc1ccc(S)cc1)c1ccn2ncnc2c1 |
|
AD39456 | 0.21 | 285.1 | C9H9O2N4Br | O=C(NCCO)c1nnc2ccc(Br)cn12 |
|
AD39457 | 1.75 | 296.31 | C15H14O2N5 | COC(=O)C(CNc1ncnc2c1N=C[N]2)c1ccccc1 |
|
AD39458 | 2.3 | 264.72 | C13H13ON4Cl | NC(=O)c1cn(C2CCCC2)c2ncnc(Cl)c12 |
|
AD39459 | 1.65 | 268.07 | C10H6O3NBr | NC(=O)c1coc2ccc(Br)cc2c1=O |
|
AD39460 | 2.27 | 270.32 | C13H10ON4S | O=C(Nc1ccc(S)cc1)c1cnc2nccn2c1 |