Public Computational Chemistry Database Project

Tools
- convert to 2D molecule -


2D molecular structure

  • You can obtain 2D molecular structures from SMILES representations.
  • To obtain the 2D structues, please click the "convert" button.
  • Please write a SMILES representation for each row in the textbox
  • We can convert up to 2,000 entries at a time. (This restriction will be relaxed in the near future.)
  • You can input SMILES entries in the textbox from a file by using "Choose File".
  • You can use a CSV file in "Choose File". If a "SMILES" column exists in the file, its entries are read in the textbox.
  • The conversion results can be downloaded as a CSV file. You can check the file by using "search from CSV".
  • Open Babel is employed in this conversion.