aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD32751 | 0.28 | 205.22 | C10H11O2N3 | O=C(NCCO)c1c[nH]c2ncccc12 |
|
AD32752 | 0.55 | 206.2 | C10H10O3N2 | O=C(NCCO)c1ccc2ocnc2c1 |
|
AD32753 | 1.02 | 222.27 | C10H10O2N2S | O=C(NCCO)c1cc2cccnc2s1 |
|
AD32754 | 1.99 | 206.63 | C11H7ON2Cl | NC(=O)c1cc(Cl)nc2ccccc12 |
|
AD32755 | 1.87 | 218.28 | C11H16N5 | CC(C)C(C)N(C)c1ncnc2c1N=C[N]2 |
|
AD32756 | 0.95 | 210.26 | C9H10O2N2S | O=C(NCCO)c1cc2[nH]ccc2s1 |
|
AD32757 | 1.94 | 236.32 | C10H14N5S | CC(C)SCCNc1ncnc2c1N=C[N]2 |
|
AD32758 | 1.57 | 210.18 | C6H5ON2F3S | Cc1nc(C(F)(F)F)c(C(N)=O)s1 |
|
AD32759 | 1.61 | 234.28 | C11H16ON5 | COCCCCCNc1ncnc2c1N=C[N]2 |
|
AD32760 | 0.23 | 227.29 | C9H13O2N3S | CSc1ncc(C(=O)NCCO)c(C)n1 |