aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40251 | 0.73 | 313.3 | C14H13O3N6 | CCOc1ccc(C=NNC2=Nc3c(nc[nH]c3=O)[N]2)cc1O |
|
AD40252 | 1.66 | 298.29 | C13H12O2N7 | COc1cccc(CN=NC2=Nc3c(N)ncnc3[N]2)c1O |
|
AD40253 | 1.66 | 298.29 | C13H12O2N7 | COc1cc(CN=NC2=Nc3c(N)ncnc3[N]2)ccc1O |
|
AD40254 | 1.97 | 312.31 | C14H14O2N7 | COc1ccc(CN=NC2=Nc3c(N)ncnc3[N]2)cc1OC |
|
AD40255 | 1.45 | 278.42 | C17H28O2N | C=C1CCCC2(C)CC3OC(=O)C(C[NH+](C)C)C3CC12 |
|
AD40256 | 1.32 | 296.31 | C14H14ON7 | CCOc1ccc(C=NNC2=Nc3c(N)ncnc3[N]2)cc1 |
|
AD40257 | 0.83 | 297.26 | C12H9O2N8 | Nc1ncnc2c1N=C(NN=Cc1cccc([N+](=O)[O-])c1)[N]2 |
|
AD40258 | 1.32 | 296.31 | C14H14ON7 | CCOc1cccc(C=NNC2=Nc3c(N)ncnc3[N]2)c1 |
|
AD40259 | 0.83 | 297.26 | C12H9O2N8 | Nc1ncnc2c1N=C(NN=Cc1ccc([N+](=O)[O-])cc1)[N]2 |
|
AD40260 | -0.71 | 98.11 | C4H6ON2 | C#CCNC(N)=O |