aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD31531 | 1.09 | 195.61 | C9H6ON3Cl | NC(=O)c1cn2cc(Cl)ccc2n1 |
|
AD31532 | 0.06 | 205.22 | C10H11O2N3 | O=C(NCCO)c1cnn2ccccc12 |
|
AD31533 | -0.06 | 207.19 | C9H9O3N3 | O=C(NCCO)c1ccc2nonc2c1 |
|
AD31534 | 0.14 | 209.2 | C10H11O4N | O=C(NCCO)c1ccc2c(c1)OCO2 |
|
AD31535 | -0.32 | 206.21 | C9H10O2N4 | O=C(NCCO)c1[nH]nc2ncccc12 |
|
AD31536 | 0.45 | 190.21 | C9H10ON4 | Cc1cc(C)n2ncc(C(N)=O)c2n1 |
|
AD31537 | -0.16 | 191.19 | C8H9ON5 | Cc1cc2nnc(C(N)=O)c(C)n2n1 |
|
AD31538 | 0.45 | 190.21 | C9H10ON4 | Cc1cc(C)n2nc(C(N)=O)cc2n1 |
|
AD31539 | 0.89 | 189.17 | C10H7O3N | NC(=O)c1ccc2oc(=O)ccc2c1 |
|
AD31540 | -0.32 | 206.21 | C9H10O2N4 | O=C(NCCO)c1cnc2n[nH]cc2c1 |