aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD31441 | 0.59 | 220.26 | C10H14ON5 | CC(O)CCN(C)c1ncnc2c1N=C[N]2 |
|
AD31442 | 0.35 | 218.24 | C10H12ON5 | OC1CCCN(c2ncnc3c2N=C[N]3)C1 |
|
AD31443 | 0.81 | 201.61 | C8H8O2N3Cl | COC(=O)c1c(N)nnc(Cl)c1C |
|
AD31444 | 0.29 | 192.22 | C9H12ON4 | Nc1cncc(C(=O)N2CCCC2)n1 |
|
AD31445 | 0.72 | 193.23 | C7H7N5S | CSc1ncc2ncnc(N)c2n1 |
|
AD31446 | 0.6 | 200.17 | C8H9O3N2F | COC(=O)c1cc(F)c(OC)nc1N |
|
AD31447 | 0.9 | 188.62 | C7H9ON4Cl | CCCOc1nc(N)nc(Cl)n1 |
|
AD31448 | 1.06 | 209.23 | C8H7O2N3S | COC(=O)c1csc2c(N)ncnc12 |
|
AD31449 | 1.2 | 199.18 | C9H10O3NF | COC(=O)c1ccc(OC)c(N)c1F |
|
AD31450 | 0.86 | 189.22 | C9H11N5 | Cc1ncn(-c2ccc(N)nn2)c1C |