aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21011 | 3.41 | 343.39 | C15H15O2N6S | CCCNc1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C[N]2 |
|
AD21012 | 1.46 | 304.37 | C15H16O3N2S | NC(CSc1ccc2ccccc2c1)C(=O)NCC(=O)O |
|
AD21013 | 1.36 | 633.74 | C32H47O10N3 | COC1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCOCCO)=C(CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2=O |
|
AD21014 | 4.67 | 349.84 | C18H16O3NClS | COCCOc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1 |
|
AD21015 | 0.48 | 248.23 | C8H10ON9 | CCNC(=O)N=NNc1nc(N)c2c(n1)[N]C=N2 |
|
AD21016 | 2.98 | 283.37 | C18H21O2N | COc1cc2c(cc1OC)C(c1ccccc1)CNCC2 |
|
AD21017 | 4.6 | 275.37 | C14H10NFS2 | Fc1ccccc1Cc1ncc(-c2ccsc2)s1 |
|
AD21018 | 2.47 | 202.21 | C12H10O3 | CC(=O)Oc1ccc2cccc(O)c2c1 |
|
AD21019 | 1.14 | 169.23 | C7H9ON2S | CCCSC1=NC(=O)C=C[N]1 |
|
AD21020 | 3.73 | 299.36 | C19H15N4 | C1=C(c2ccccc2)c2c(ncnc2NCc2ccccc2)[N]1 |