aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35011 | 0.45 | 227.29 | C9H13O2N3S | Nc1cc(S(=O)(=O)N2CCCC2)ccn1 |
|
AD35012 | 1.15 | 222.03 | C8H5O2N3Cl2 | COC(=O)c1nc(Cl)c(N)c(Cl)n1 |
|
AD35013 | 0.04 | 219.65 | C7H6O2N3ClS | Nc1nc(Cl)nc2c1S(=O)(=O)CC2 |
|
AD35014 | 0.88 | 215.64 | C9H10O2N3Cl | Nc1nc(Cl)cc(OC2CCOC2)n1 |
|
AD35015 | 0.71 | 213.26 | C8H11O2N3S | CCOC(=O)CSc1cncc(N)n1 |
|
AD35016 | 1.13 | 224.26 | C11H16O3N2 | COC(=O)c1cc(N)c(N(C)C)cc1OC |
|
AD35017 | 1.51 | 237.28 | C10H11O2N3S | COC(=O)c1sc2[nH]c(C)nc(=N)c2c1C |
|
AD35018 | 0.26 | 221.67 | C7H8O2N3ClS | CS(=O)(=O)Cc1nc(N)cc(Cl)n1 |
|
AD35019 | 1.53 | 223.28 | C11H17O2N3 | CCOC(=O)c1nc(N)cc(C(C)(C)C)n1 |
|
AD35020 | 0.89 | 235.27 | C10H9O2N3S | Nc1ccc(S(=O)(=O)c2ccccc2)nn1 |