aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD29271 | 0.85 | 200.22 | C10H10N5 | CC#CCN(C)c1ncnc2c1N=C[N]2 |
|
AD29272 | 0.44 | 164.12 | C6H4O2N4 | N#Cc1cnc(N)c([N+](=O)[O-])c1 |
|
AD29273 | 1.1 | 175.19 | C9H9ON3 | C=CCOc1ccc(N)nc1C#N |
|
AD29274 | 1.15 | 182.61 | C8H7N4Cl | CCc1nc(C#N)c(N)nc1Cl |
|
AD29275 | 1.08 | 170.17 | C9H6N4 | N#Cc1ccc2ncc(N)nc2c1 |
|
AD29276 | 0.44 | 164.12 | C6H4O2N4 | N#Cc1ccnc(N)c1[N+](=O)[O-] |
|
AD29277 | 1.06 | 176.22 | C9H12N4 | CCc1nnc(N)c(C#N)c1CC |
|
AD29278 | 1.16 | 177.21 | C9H11ON3 | COc1nc(C)c(N)c(C)c1C#N |
|
AD29279 | 0.93 | 176.18 | C9H8O2N2 | COC(=O)c1cc(C#N)ccc1N |
|
AD29280 | 1.24 | 177.16 | C8H7O2N3 | N#CCc1ccc([N+](=O)[O-])c(N)c1 |