aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35251 | -0.86 | 243.29 | C9H13O3N3S | CC(C#N)S(=O)(=O)N1CC2(CCN2C=O)C1 |
|
AD35252 | 0.82 | 249.26 | C13H9N6 | C#Cc1cccc(-n2c(N)c3c(nc2=N)[N]C=N3)c1 |
|
AD35253 | 1.26 | 229.28 | C13H15ON3 | N#Cc1ccccc1N1CCC(C(N)=O)CC1 |
|
AD35254 | 0.24 | 245.24 | C11H11O2N5 | C#CC(C)(C)C(=O)Nc1ncnc2[nH]c(=O)[nH]c12 |
|
AD35255 | 0.15 | 243.25 | C11H11ON6 | C#CC(C)(C)C(=O)n1c(N)c2c(nc1=N)[N]C=N2 |
|
AD35256 | 0.35 | 240.33 | C11H16O2N2S | C=CCSCC(=O)N1CC2(CCN2C=O)C1 |
|
AD35257 | 0.21 | 240.33 | C11H16O2N2S | C=CCSCC(=O)N1CC2(CN(C=O)C2)C1 |
|
AD35258 | 0.37 | 231.21 | C11H9O3N3 | N#Cc1cccc(N2CC(C(N)=O)OC2=O)c1 |
|
AD35259 | 0.39 | 245.24 | C11H11O2N5 | CCCC#CC(=O)Nc1ncnc2[nH]c(=O)[nH]c12 |
|
AD35260 | 1.36 | 216.03 | C9H3ON3Cl2 | N#Cc1c(Cl)cc(C(N)=O)nc1Cl |