aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD32781 | 0.41 | 223.26 | C9H9O2N3S | O=C(NCCO)c1ncnc2ccsc12 |
|
AD32782 | 0.29 | 205.22 | C10H11O2N3 | O=C(NCCO)c1ccc2cc[nH]c2n1 |
|
AD32783 | 1.35 | 234.28 | C11H16ON5 | CCCC(C)(O)CNc1ncnc2c1N=C[N]2 |
|
AD32784 | 1.93 | 228.28 | C12H14N5 | CC1=C(C)CN(c2ncnc3c2N=C[N]3)CC1 |
|
AD32785 | 1.58 | 236.32 | C10H14N5S | CSCCCN(C)c1ncnc2c1N=C[N]2 |
|
AD32786 | 0.24 | 205.22 | C10H11O2N3 | O=C(NCCO)c1cc2c[nH]ccc-2n1 |
|
AD32787 | 1.77 | 228.28 | C12H14N5 | C1=Nc2c(ncnc2N2CCC3(CCC3)C2)[N]1 |
|
AD32788 | 1.69 | 234.31 | C10H12N5S | CSC1(CNc2ncnc3c2N=C[N]3)CC1 |
|
AD32789 | 0.95 | 210.26 | C9H10O2N2S | O=C(NCCO)c1cc2sccc2[nH]1 |
|
AD32790 | 1.99 | 206.63 | C11H7ON2Cl | NC(=O)c1cc2ccccc2nc1Cl |