aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40961 | 0.89 | 341.16 | C11H12N5I | IC1=C[N]c2ncnc(N=C3CC[NH2+]CC3)c21 |
|
AD40962 | -1.36 | 137.17 | C6H9N4 | Nc1ncnc2c1C[NH2+]C2 |
|
AD40963 | -0.59 | 166.16 | C7H8O2N3 | Nc1[nH+]ccc2c1NC(=O)CO2 |
|
AD40964 | -2.61 | 241.27 | C10H17O3N4 | C[NH+]1CCOC(CNc2c[nH]c(=O)[nH]c2=O)C1 |
|
AD40965 | -0.9 | 236.26 | C10H14O2N5 | Cc1[nH]cc[n+]1CCNc1c[nH]c(=O)[nH]c1=O |
|
AD40966 | -0.7 | 327.39 | C17H21O2N5 | NC(=O)C1=C(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)[N]C=N1 |
|
AD40967 | -0.78 | 340.43 | C18H24ON6 | C[NH+]1CCN(C2(c3ccc(NC4=C(C(N)=O)N=C[N]4)cc3)CC2)CC1 |
|
AD40968 | -1.15 | 129.18 | C6H13ON2 | CC(=O)N1CCC([NH3+])C1 |
|
AD40969 | 1.67 | 311.45 | C20H27ON2 | c1ccc(C(OCC[NH+]2CCCNCC2)c2ccccc2)cc1 |
|
AD40970 | 0.54 | 295.36 | C18H19O2N2 | NC(=O)C12C[NH+](Cc3ccccc3)CC(O1)c1ccccc12 |