aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06501 | 3.41 | 316.35 | C18H20O5 | CCCOc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 |
|
AD06502 | -0.45 | 164.23 | C5H12O2N2S | CNS(=O)(=O)N1CCCC1 |
|
AD06503 | 3.94 | 407.56 | C25H33O2N3 | CCC(=O)N(c1ccc(C(C)NC=O)cc1)C1CCN(CCc2ccccc2)CC1 |
|
AD06504 | 1.71 | 203.25 | C10H13N5 | c1nc(NC2CCCC2)c2nc[nH]c2n1 |
|
AD06505 | 4.11 | 277.54 | C13H7ON2Cl3 | CON=Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12 |
|
AD06506 | 0.73 | 179.22 | C10H13O2N | COC(=O)C(N)Cc1ccccc1 |
|
AD06507 | -0.46 | 87.1 | C4H7O2 | CCCC(=O)[O-] |
|
AD06508 | 3.89 | 324.31 | C14H9ON3F3S | FC(F)(F)Oc1ccc(CSc2ncnc3c2C=C[N]3)cc1 |
|
AD06509 | 1.26 | 218.73 | C11H19ON2Cl | CC(Cl)CNC(=O)C1CCCCCN1 |
|
AD06510 | 2.86 | 185.31 | C11H23ON | CC(C)CCCCCCCC(N)=O |