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J. Cheminf. 2011, 3, 33

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ShelX format (ins, res)

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CML Reaction format (cmlr)

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Reaction formatsΒΆ

  • CML Reaction format (cmlr)
    • Write Options
    • Comments
  • MDL RXN format (rxn)
  • RInChI (rinchi)
    • Write Options
  • Reaction SMILES format (rsmi)
    • Write Options

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