aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD27501 | 0.51 | 180.21 | C9H12O2N2 | COc1cc(CCC(N)=O)ccn1 |
|
AD27502 | 0.81 | 164.21 | C9H12ON2 | Cc1cc(CCC(N)=O)ccn1 |
|
AD27503 | -0.43 | 196.21 | C9H12O3N2 | O=C(COc1cccnc1)NCCO |
|
AD27504 | -0.37 | 184.19 | C8H12O3N2 | Cc1cc(CC(=O)NCCO)on1 |
|
AD27505 | 1.43 | 175.64 | C7H6ONClS | NC(=O)Cc1ccc(Cl)s1 |
|
AD27506 | -0.43 | 183.16 | C8H9O4N | O=C(NCCO)C(=O)c1ccco1 |
|
AD27507 | -0.06 | 198.22 | C9H14O3N2 | Cc1noc(C)c1CC(=O)NCCO |
|
AD27508 | -0.47 | 181.19 | C8H11O2N3 | O=C(C=Cc1c[nH]cn1)NCCO |
|
AD27509 | -0.01 | 207.19 | C8H9O2N5 | CCC(=O)Nc1ncnc2[nH]c(=O)[nH]c12 |
|
AD27510 | 0.87 | 208.18 | C8H7ON5F | CCC(=O)Nc1nc(F)nc2c1N=C[N]2 |