Convert to SMARTS (from Structure)

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You can convert structures to SMARTS and Extended (ChemAxon) SMARTS format as well.

  1. Select cells (or a whole column) which contain structures.
  2. Click on the Convert|Convert to Text|SMARTS (or Convert|Convert to Text|Extended (ChemAxon) SMARTS context menu item.

       Cells.ConvertToSMART1

 

  1. The structures are converted to SMARTS strings.

       Cells.ConvertToSMART2

 

It is also possible to keep the original structures in the Structure column and insert a new column for the SMARTS strings. In this case the value of the Convert From Structure - Placement option has to be set to InsertRight (instead of Replace) in the appropriate part of Options/Actions topic.

You can reach the "To SMILES" conversion in this context menu as well.


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