The SDF file format
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Many structures in one file
An SDF (structure-data file) is a series of MOL records. After each record’s M END can come data items, each a line such as > <MW> followed by its value, and every record ends with a line of four dollar signs, $$. Compound databases, screening libraries and PubChem’s downloads all use it.
Because each record is a full MOL file, an SDF keeps coordinates and stereochemistry for every structure, which a list of SMILES does not.
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