aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD29231 | 0.36 | 173.18 | C8H7N5 | CCc1nc(C#N)c(C#N)nc1N |
|
AD29232 | 0.32 | 177.16 | C8H7O2N3 | COC(=O)c1cc(C#N)cnc1N |
|
AD29233 | 0.1 | 204.14 | C8H3ON5F | C#CC(=O)Nc1nc(F)nc2c1N=C[N]2 |
|
AD29234 | -0.87 | 201.17 | C8H5ON6 | C#CC(=O)n1c(N)c2c(nc1=N)[N]C=N2 |
|
AD29235 | -0.78 | 203.16 | C8H5O2N5 | C#CC(=O)Nc1ncnc2[nH]c(=O)[nH]c12 |
|
AD29236 | 0.91 | 175.19 | C10H9O2N | NC(=O)C=CC(=O)c1ccccc1 |
|
AD29237 | 1.46 | 161.21 | C9H11N3 | CC(C)(C#N)c1ccc(N)cn1 |
|
AD29238 | 1.08 | 161.21 | C9H11N3 | N#CCCNCc1cccnc1 |
|
AD29239 | 1.89 | 158.16 | C9H6ON2 | N#Cc1oc2ccccc2c1N |
|
AD29240 | 1.7 | 163.22 | C9H13N3 | CC(C)(C)n1cc(C#N)cc1N |