aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD33561 | -1.22 | 247.24 | C10H11O2N6 | O=CN1CCN(C2=Nc3c(nc[nH]c3=O)[N]2)CC1 |
|
AD33562 | -1.59 | 143.21 | C7H15ON2 | C[NH+]1CCC(NC=O)CC1 |
|
AD33563 | -1.29 | 143.21 | C7H15ON2 | O=CNCC1CC[NH2+]CC1 |
|
AD33564 | 0.22 | 149.21 | C5H11O2NS | NS(=O)(=O)C1CCCC1 |
|
AD33565 | 0.57 | 217.23 | C11H11O2N3 | Cc1cc(=O)n(-c2ccc(C(N)=O)cc2)[nH]1 |
|
AD33566 | 0.21 | 258.26 | C8H9O2N5FS | CN(C)S(=O)(=O)Nc1ncnc2c1C(F)=C[N]2 |
|
AD33567 | 1.27 | 227.62 | C7H4O2NF2ClS | NS(=O)(=O)c1cc(F)c(F)cc1Cl |
|
AD33568 | 1.04 | 227.07 | C7H4O2N2Cl2S | NS(=O)(=O)c1ccc(Cl)nc1Cl |
|
AD33569 | -0.79 | 229.26 | C8H11O3N3S | CSc1ncc(C(=O)NCCO)c(=O)[nH]1 |
|
AD33570 | -0.35 | 233.23 | C11H11O3N3 | O=C(NCCO)c1c[nH]c2cccnc2c1=O |