Atom Maps:

The map is always the last part of the atom expression, delimited by the colon character.


  • Why the change?

  • + Convenient. A single string defines all relevant connectivity data.

    + Processing maps is automatic.

    + Hydrogens mapped easily / correctly.

    - Harder to read reaction SMILES with maps.

    - Isomeric SMILES are larger.

    -/+ Maps are considered and reordered during canonicalization.

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