aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19611 | 0.76 | 235.23 | C12H7N6 | Nc1nc(C#Cc2ccccn2)nc2c1N=C[N]2 |
|
AD19612 | 1.08 | 166.13 | C8H6O4 | O=C(O)c1ccccc1C(=O)O |
|
AD19613 | 2.3 | 317.16 | C9H8N3SI | SCc1nnn(-c2ccccc2)c1I |
|
AD19614 | 0.52 | 217.24 | C8H5N6S | Nc1ncnc2c1C(c1nccs1)=N[N]2 |
|
AD19615 | 1.11 | 291.7 | C13H10O2N5Cl | Nc1nc(O)c2c(n1)[nH]c(=O)n2Cc1ccc(Cl)cc1 |
|
AD19616 | 3.76 | 378.8 | C20H13O2N5Cl | N#CC1=C(N)Oc2cc(OCC3=C[N]N=N3)ccc2C1c1cccc(Cl)c1 |
|
AD19617 | 3.18 | 387.42 | C21H19O2N6 | CN(C)c1ccc(C2C(C#N)=C(N)Oc3cc(OCC4=C[N]N=N4)ccc32)cc1 |
|
AD19618 | 3.11 | 344.35 | C19H14O2N5 | N#CC1=C(N)Oc2cc(OCC3=C[N]N=N3)ccc2C1c1ccccc1 |
|
AD19619 | 0.57 | 318.72 | C14H11O2N6Cl | Nc1nc2c(c(=O)[nH]1)[N+](CC(=O)Nc1ccc(Cl)cc1)=C[N]2 |
|
AD19620 | -5.28 | 506.6 | C21H42O8N6 | NC1CC(N)C(O)C(OCC(=O)NCCCCCNC(=O)COC2C(O)C(N)CC(N)C2O)C1O |