aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11591 | 2.53 | 337.38 | C19H19O3N3 | Cc1c(O)ccc2c(N3CCN(c4ccccn4)CC3)cc(=O)oc12 |
|
AD11592 | 1.51 | 116.16 | C6H12O2 | CC(C)(C)CC(=O)O |
|
AD11593 | -0.52 | 381.38 | C18H23O8N | COC1C(O)C2OCOC2C(O)C1NC(=O)C(C)=Cc1ccc(O)c(O)c1 |
|
AD11594 | -3.63 | 429.38 | C18H22O9N2F | CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CNC(=O)c1ccc(F)cc1 |
|
AD11595 | 0.73 | 184.19 | C9H12O4 | OCCCc1cc(O)c(O)c(O)c1 |
|
AD11596 | -0.92 | 266.22 | C8H10O3N8 | [N-]=[N+]=NCC(O)Cn1c(=O)[nH]c2nc(N)nc(O)c21 |
|
AD11597 | 0.69 | 165.19 | C9H11O2N | NC(=O)COCc1ccccc1 |
|
AD11598 | -2.09 | 291.29 | C12H15O3N6 | O=C([O-])C(O)Cn1cc(Cn2nnc3c2CCCC3)nn1 |
|
AD11599 | 1.37 | 253.24 | C13H9O2N4 | O=C1C=C(NCC2=C[N]N=N2)C(=O)c2ccccc21 |
|
AD11600 | -1.13 | 239.3 | C7H17O4N3S | CCC(C)C(N)C(=O)NS(=O)(=O)NOC |