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Convert a SMILES string to canonical SMILES

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  • OpenBabel/Pybel
  • Canonical SMILES
  • SMILES
  • OpenEye/Python
  • RDKit/Python
  • CDK/Groovy
  • Indigo/Python
  • Indigo/C
  • Indigo/Java
  • Cactvs/Tcl
  • Cactcvs/Python
  • Cactvs/Python
Below are some commonly used wiki markup codes. Simply click on what you want to use and it will appear in the edit box above.

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