Download compound structures

Download compound structures

  1. Go to Sample Libraries > Compounds > Search Compounds and click the ‘List Entry’ link.
    Circled button for List Entry when searching for compounds
  2. Paste the list of compounds for which you need activity data. Click the ‘Search’ button.
    Search box for list of compounds
  3. RxPlora displays the search results and orders the results by the compound IDs in a numerically ascending fashion.
  4. To download the structures, click the export icon. This brings up a new window to download the structures in either an SD file or in a csv file that would include the structures in SMILES format. Select the format you want and hit the ‘Submit’ button.
    • Tip: Files exceeding 500 entries can only be downloaded in csv format
  5. To view the structure in SDF format, you need to have a structure viewing software installed on your machine such as Chemaxon’s MarvinView or Open Molecule’s DataWarrior.
Go to Top