aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34681 | -0.02 | 236.27 | C12H16O3N2 | O=C(NCCO)c1cccn(CC2CC2)c1=O |
|
AD34682 | -0.79 | 244.27 | C9H12O4N2S | CS(=O)(=O)c1cc(C(=O)NCCO)ccn1 |
|
AD34683 | 1.17 | 219.22 | C11H10ON3F | NC(=O)c1cn(Cc2ccccc2F)cn1 |
|
AD34684 | -0.62 | 233.23 | C10H11O2N5 | O=C(NCCO)c1cn(-c2cnccn2)cn1 |
|
AD34685 | 0.41 | 223.62 | C9H6ON5Cl | NC(=O)c1cc(Cl)ccc1-n1cnnn1 |
|
AD34686 | 0.35 | 246.67 | C11H12O2N2FCl | O=CN1CC2CC(C1)N2C(=O)C1CC1(F)Cl |
|
AD34687 | -0.64 | 232.26 | C8H12O4N2S | COc1ncccc1S(=O)(=O)NCCO |
|
AD34688 | 0.35 | 246.67 | C11H12O2N2FCl | O=CN1CCC12CN(C(=O)C1CC1(F)Cl)C2 |
|
AD34689 | 0.21 | 246.67 | C11H12O2N2FCl | O=CN1CC2(C1)CN(C(=O)C1CC1(F)Cl)C2 |
|
AD34690 | 1.27 | 229.3 | C10H15O3NS | COc1cc(C)c(S(N)(=O)=O)c(C)c1C |