aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40511 | -0.29 | 357.76 | C13H10O5N4ClS | COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1 |
|
AD40512 | 1.0 | 228.25 | C13H12O2N2 | NC(=O)c1ccc(=O)n(Cc2ccccc2)c1 |
|
AD40513 | 0.4 | 208.22 | C10H12O3N2 | CC1(c2cccc(C(N)=O)n2)OCCO1 |
|
AD40514 | -0.56 | 337.34 | C13H13O5N4S | CCOC(=O)c1ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)cc1 |
|
AD40515 | 0.81 | 211.22 | C10H13O4N | COc1ccc(OC)c(C(N)=O)c1OC |
|
AD40516 | 1.58 | 221.26 | C12H15O3N | COc1ccc(C(N)=O)cc1OCC1CC1 |
|
AD40517 | -0.16 | 323.35 | C13H15O4N4S | CCc1ccc(OC)c(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c1 |
|
AD40518 | 1.6 | 235.47 | C7H4ON2ClBr | NC(=O)c1cc(Cl)cnc1Br |
|
AD40519 | -0.64 | 337.34 | C13H13O5N4S | COC(=O)c1ccc(C)c(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c1 |
|
AD40520 | 0.75 | 208.22 | C10H12O3N2 | CC(C)OC(=O)c1ncccc1C(N)=O |