aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42031 | 0.42 | 322.1 | C9H11O3N2I | COc1ccc(C(=O)NCCO)nc1I |
|
AD42032 | 1.55 | 344.17 | C9H8O2N6SBr | CCOC(=O)NC(=S)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD42033 | -0.02 | 148.19 | C4H8O2N2S | CCOC(=O)NC(N)=S |
|
AD42034 | 0.96 | 358.2 | C10H10O2N6SBr | CCOC(=O)CNC(=S)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD42035 | -0.62 | 162.21 | C5H10O2N2S | CCOC(=O)CNC(N)=S |
|
AD42036 | 2.39 | 292.36 | C14H16O3N2S | CN(C)S(=O)(=O)c1ccccc1Nc1ccc(O)cc1 |
|
AD42037 | 0.86 | 350.42 | C17H26O4N4 | CC(C)(C)OC(=O)N1CCN(c2ncccc2C(=O)NCCO)CC1 |
|
AD42038 | 2.17 | 322.41 | C14H14O3N2S2 | CS(=O)(=O)Cc1ncccc1C(=O)Nc1ccc(S)cc1 |
|
AD42039 | 2.03 | 308.38 | C13H12O3N2S2 | CS(=O)(=O)c1cccc(C(=O)Nc2ccc(S)cc2)n1 |
|
AD42040 | 0.72 | 307.09 | C9H10O3NI | O=C(NCCO)c1cc(O)cc(I)c1 |