aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14361 | 0.84 | 189.17 | C9H7O2N3 | NC(=O)c1noc(-c2ccccc2)n1 |
|
AD14362 | 0.33 | 191.25 | C7H13O3NS | CSCCC(NC(C)=O)C(=O)O |
|
AD14363 | 1.93 | 324.18 | C13H14O2N3Br | O=c1[nH]ccc(=NOCCCc2ccc(Br)cc2)[nH]1 |
|
AD14364 | 3.55 | 480.59 | C25H34O3N7 | CN(CCCCN(C)c1ncnc2c1N=C[N]2)C(=O)CCCCCNC(=O)OCc1ccccc1 |
|
AD14365 | 4.93 | 511.77 | C29H55O5N2 | CCCCCCCCCCCCCCNC(=O)C(CO)NC(=O)CCCCCCCCCCC(=O)[O-] |
|
AD14366 | 1.46 | 219.2 | C11H9O4N | CC(=O)Nc1cc(=O)c2cc(O)ccc2o1 |
|
AD14367 | -1.34 | 180.16 | C8H8O3N2 | C#CCn1c(=O)[nH]cc(CO)c1=O |
|
AD14368 | -0.52 | 236.26 | C9H8O2N4S | NC(=S)Nn1c(=O)[nH]c2ccccc2c1=O |
|
AD14369 | 0.34 | 188.17 | C8H6ON5 | C#Cc1nc2c(c(NOC)n1)N=C[N]2 |
|
AD14370 | 3.28 | 262.33 | C14H14O3S | Cc1cc(O)c(C(=O)CCc2ccsc2)c(O)c1 |