aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34561 | -0.3 | 235.3 | C9H17O4NS | COCCC1(C(N)=O)CCS(=O)(=O)CC1 |
|
AD34562 | 0.83 | 218.26 | C12H14O2N2 | Cc1cccc(N2CCC(C(N)=O)C2=O)c1 |
|
AD34563 | 1.31 | 221.08 | C5H5ON2SBr | Cc1nc(C(N)=O)sc1Br |
|
AD34564 | 0.01 | 236.68 | C8H9O3N2ClS | O=S(=O)(NCCO)c1cccnc1Cl |
|
AD34565 | 1.14 | 224.23 | C9H15ON2F3 | NC(=O)CC1CCN(CC(F)(F)F)CC1 |
|
AD34566 | 1.22 | 221.23 | C11H12ON3F | CCc1nc2cccc(F)c2n1CC(N)=O |
|
AD34567 | -0.6 | 237.67 | C7H8O3N3ClS | O=S(=O)(NCCO)c1cnc(Cl)nc1 |
|
AD34568 | 0.99 | 224.24 | C9H8O3N2S | NS(=O)(=O)c1ccc(-c2cnco2)cc1 |
|
AD34569 | 0.47 | 231.32 | C10H17O3NS | NC(=O)C1(CC2CC2)CCS(=O)(=O)CC1 |
|
AD34570 | 0.13 | 240.26 | C11H16O4N2 | COc1nc(OC)c(C(=O)NCCO)cc1C |