aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39931 | -0.48 | 190.16 | C8H6O2N4 | O=c1[nH]cc(-c2ccnnc2)c(=O)[nH]1 |
|
AD39932 | -0.55 | 178.15 | C7H6O2N4 | O=c1[nH]cc(-c2cn[nH]c2)c(=O)[nH]1 |
|
AD39933 | -0.55 | 178.15 | C7H6O2N4 | O=c1[nH]cc(-c2ncc[nH]2)c(=O)[nH]1 |
|
AD39934 | -0.48 | 190.16 | C8H6O2N4 | O=c1[nH]cc(-c2cncnc2)c(=O)[nH]1 |
|
AD39935 | 1.36 | 299.77 | C11H12ON6ClS | COCCCNC(=S)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD39936 | -0.52 | 180.16 | C8H8O3N2 | O=c1[nH]cc(C2=CCOC2)c(=O)[nH]1 |
|
AD39937 | 1.8 | 314.19 | C9H10N6SBr | CCCNC(=S)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD39938 | 1.05 | 314.39 | C11H13ON5FS2 | CS(=O)CCCNC(=S)Nc1ncnc2c1C(F)=C[N]2 |
|
AD39939 | 0.75 | 296.4 | C11H14ON5S2 | CS(=O)CCCNC(=S)Nc1ncnc2c1C=C[N]2 |
|
AD39940 | 1.92 | 300.37 | C13H14N7S | C1=Nc2c(ncnc2NC2CCN(c3nccs3)CC2)[N]1 |