aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35471 | -0.11 | 117.09 | C5HN4 | N#CC1=C(C#N)N=C[N]1 |
|
AD35472 | -0.64 | 118.08 | C4N5 | N#CC1=N[N]N=C1C#N |
|
AD35473 | 0.23 | 118.08 | C4N5 | N#CC1=C(C#N)N=N[N]1 |
|
AD35474 | 1.4 | 250.24 | C13H8ON5 | C#Cc1ccc(Nc2[nH]c(=O)nc3c2N=C[N]3)cc1 |
|
AD35475 | 1.91 | 263.28 | C14H11N6 | N#Cc1cccc(CCNc2ncnc3c2N=C[N]3)c1 |
|
AD35476 | 1.89 | 263.28 | C14H11N6 | CN(Cc1cccc(C#N)c1)c1ncnc2c1N=C[N]2 |
|
AD35477 | 1.89 | 263.28 | C14H11N6 | CN(Cc1ccc(C#N)cc1)c1ncnc2c1N=C[N]2 |
|
AD35478 | 1.68 | 242.26 | C12H12ON5 | CC1CC(=O)C=C(Nc2ncnc3c2N=C[N]3)C1 |
|
AD35479 | 1.9 | 249.26 | C13H9N6 | CC#Cc1cncc(Nc2ncnc3c2N=C[N]3)c1 |
|
AD35480 | 1.39 | 244.28 | C12H14ON5 | C=CC1OCCC1CNc1ncnc2c1N=C[N]2 |