aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD32251 | 1.59 | 217.24 | C8H5N6S | C1=Nc2c(ncnc2Nc2nccs2)[N]1 |
|
AD32252 | 0.16 | 216.62 | C9H9O3N2Cl | O=C(NCCO)c1cc(O)cnc1Cl |
|
AD32253 | 1.48 | 232.25 | C9H6ON5S | O=c1nc2c(c(Nc3ccsc3)[nH]1)N=C[N]2 |
|
AD32254 | 0.39 | 217.17 | C9H9O3NF2 | O=C(NCCO)c1c(F)ccc(O)c1F |
|
AD32255 | 0.39 | 217.17 | C9H9O3NF2 | O=C(NCCO)c1cc(O)cc(F)c1F |
|
AD32256 | 1.48 | 237.25 | C12H9N6 | C1=Nc2c(ncnc2N2CCc3cnccc32)[N]1 |
|
AD32257 | 0.39 | 217.17 | C9H9O3NF2 | O=C(NCCO)c1ccc(F)c(O)c1F |
|
AD32258 | -0.13 | 234.28 | C12H16O2N3 | C[NH+](C)Cc1ccc(-c2noc(CO)n2)cc1 |
|
AD32259 | 1.54 | 219.25 | C10H13ON5 | CCCCC=Nc1ncnc2[nH]c(=O)[nH]c12 |
|
AD32260 | 1.87 | 189.22 | C10H11ON3 | Cn1cncc1Nc1ccc(O)cc1 |