aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD29261 | 1.42 | 154.12 | C7H4N2F2 | N#Cc1c(F)ccc(N)c1F |
|
AD29262 | 1.08 | 170.17 | C9H6N4 | N#Cc1cc2cccnc2nc1N |
|
AD29263 | 1.69 | 164.23 | C8H8N2S | N#Cc1c(N)sc2c1CCC2 |
|
AD29264 | 0.67 | 176.17 | C9H8O2N2 | COc1ccc(C#N)c(C(N)=O)c1 |
|
AD29265 | 1.08 | 170.18 | C9H6N4 | N#Cc1ccc2c(N)ncnc2c1 |
|
AD29266 | 0.89 | 168.59 | C7H5N4Cl | Cc1nc(N)c(C#N)c(Cl)n1 |
|
AD29267 | 0.25 | 164.17 | C7H8ON4 | COc1nc(C)nc(N)c1C#N |
|
AD29268 | 0.44 | 164.12 | C6H4O2N4 | N#Cc1nc(N)ccc1[N+](=O)[O-] |
|
AD29269 | 0.96 | 180.24 | C7H8N4S | CSc1nc(C)c(C#N)c(N)n1 |
|
AD29270 | 0.65 | 166.21 | C6H6N4S | CSc1ncc(C#N)c(N)n1 |