aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43871 | 2.72 | 308.75 | C14H9O3N2ClS | N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2)c1 |
|
AD43872 | 3.3 | 324.81 | C14H9O2N2ClS2 | N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(S)cc2)c1 |
|
AD43873 | 2.66 | 320.39 | C14H12O3N2S2 | COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(S)cc2)c1 |
|
AD43874 | 2.72 | 308.75 | C14H9O3N2ClS | N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1 |
|
AD43875 | 3.3 | 324.81 | C14H9O2N2ClS2 | N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(S)cc1 |
|
AD43876 | 2.14 | 331.46 | C18H23O2N2S | Cc1ccc(S(=O)(=O)N2CCCC([NH3+])Cc3ccccc32)cc1 |
|
AD43877 | 2.65 | 269.68 | C13H6N6Cl | N#Cc1cc(Nc2ncnc3c2N=C[N]3)ccc1Cl |
|
AD43878 | 2.17 | 239.26 | C12H11N6 | N#CC1CCC(=Nc2ncnc3c2N=C[N]3)CC1 |
|
AD43879 | 2.07 | 256.29 | C13H14ON5 | CC1(C)CC(=O)C=C(Nc2ncnc3c2N=C[N]3)C1 |
|
AD43880 | 2.31 | 249.26 | C13H9N6 | Cc1ccc(C#N)cc1Nc1ncnc2c1N=C[N]2 |