aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35271 | 0.86 | 244.28 | C12H14ON5 | C#CCCN(CCOC)c1ncnc2c1N=C[N]2 |
|
AD35272 | 0.71 | 259.28 | C9H7N8S | C=CCn1nnnc1Sc1ncnc2c1N=C[N]2 |
|
AD35273 | 0.9 | 225.63 | C10H8O2N3Cl | COC(=O)Cc1cc(Cl)nc(N)c1C#N |
|
AD35274 | 1.05 | 233.3 | C10H11N5S | N#CN=C1SCCN1Cc1ccc(N)nc1 |
|
AD35275 | 1.37 | 225.63 | C10H8O2N3Cl | CCOC(=O)c1cc(C#N)c(Cl)nc1N |
|
AD35276 | 1.01 | 234.26 | C11H14O2N4 | CC(C)(C)OC(=O)C(C#N)c1nccnc1N |
|
AD35277 | 0.4 | 230.29 | C13H16ON3 | N#Cc1ccc(C(=O)N2CCC([NH3+])CC2)cc1 |
|
AD35278 | -0.17 | 129.14 | C3H3ON3S | O=c1[nH]ncc(=S)[nH]1 |
|
AD35279 | 2.16 | 236.22 | C12H12O5 | COc1c(O)c(CCC(=O)O)cc2ccoc12 |
|
AD35280 | 2.3 | 216.24 | C13H12O3 | Cc1cc(O)c2c3c(c(=O)oc2c1)CCC3 |