aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD36401 | 0.07 | 172.21 | C6H8O2N2S | CS(=O)(=O)c1cccnc1N |
|
AD36402 | 0.76 | 166.18 | C8H10O2N2 | COC(=O)c1ccc(N)nc1C |
|
AD36403 | 0.07 | 172.21 | C6H8O2N2S | CS(=O)(=O)c1ccc(N)nc1 |
|
AD36404 | 1.52 | 159.19 | C9H9N3 | Cc1cccc2ncnc(N)c12 |
|
AD36405 | 1.63 | 175.19 | C9H9ON3 | Cc1cc(N)nc(-c2ccco2)n1 |
|
AD36406 | 1.33 | 158.59 | C7H7ON2Cl | COc1cc(N)nc(Cl)c1 |
|
AD36407 | 1.26 | 180.6 | C8H5N4Cl | Nc1nnc(Cl)c2cccnc12 |
|
AD36408 | 1.35 | 163.15 | C8H6N3F | Nc1nncc2ccc(F)cc12 |
|
AD36409 | 1.33 | 158.59 | C7H7ON2Cl | COc1ccc(Cl)nc1N |
|
AD36410 | -1.69 | 88.13 | C4H10ON | OC1CC[NH2+]C1 |