aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35451 | 0.4 | 251.36 | C11H17N5S | CC[NH+](CC)CCSc1ncnc2c1N=C[N]2 |
|
AD35452 | 0.11 | 248.33 | C12H20N6 | CC[NH+](CC)CCCNc1ncnc2c1N=C[N]2 |
|
AD35453 | -0.13 | 246.32 | C12H18N6 | C1=Nc2c(ncnc2NCC[NH+]2CCCCC2)[N]1 |
|
AD35454 | -0.13 | 246.32 | C12H18N6 | CC[NH+]1CCC(Nc2ncnc3c2N=C[N]3)CC1 |
|
AD35455 | 0.11 | 260.35 | C13H20N6 | CC1CC[NH+](CCNc2ncnc3c2N=C[N]3)CC1 |
|
AD35456 | 0.11 | 260.35 | C13H20N6 | CC[NH+]1CCC(CNc2ncnc3c2N=C[N]3)CC1 |
|
AD35457 | 2.0 | 213.19 | C12H7O3N | O=c1ccc2nc3ccc(O)cc3oc-2c1 |
|
AD35458 | 2.68 | 234.18 | C9H9O2N2F3 | CN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] |
|
AD35459 | 1.88 | 254.23 | C12H8O2N5 | O=[N+]([O-])c1ccc(Cc2ncnc3c2N=C[N]3)cc1 |
|
AD35460 | 0.62 | 260.23 | C11H10O3N5 | Cc1ccc([N+](=O)[O-])cc1NC1=C(C(N)=O)N=C[N]1 |