Common cheminformatics formats

• Canonical SMILES format (can)
  • Write Options
• Chemical Markup Language (cml, mrv)
  • Read Options
  • Write Options
  • Comments
• InChI format (inchi)
  • Read Options
  • Write Options
  • Comments
• InChIKey (inchikey)
• MDL MOL format (mdl, mol, sd, sdf)
  • Read Options
  • Write Options
• Protein Data Bank format (ent, pdb)
  • Read Options
  • Write Options
• SMILES format (smi, smiles)
  • Read Options
  • Write Options
• SMILES format using Smiley parser (smy)
  • Hydrogen with Hydrogen Count
  • Unmatched Ring Bond
  • Conflicting Ring Bonds
  • Invalid Ring Bonds
  • Invalid Chiral Valence
  • Invalid Chiral Hydrogen Count
• Sybyl Mol2 format (ml2, mol2, sy2)
  • Read Options
  • Write Options