![]() ![]() SDF is one of a family of file formats from MDL holding chemical data, especially structure information. MDL publishes a specification of their Connection Table formats, which include Molfile and SD formats. There are different versions, the current de facto standard is the V2000 molfile, though more recently the V3000 format has been circulating in large-enough volumes to be an issue for those unable to read V3000-format files. It is also supported by some computational software such as Mathematica. The molfile is sufficiently common that most, if not all, cheminformatics software systems/applications are able to read the format, though not always to the same degree. The molfile consists of some header information, the Connection Table (CT) containing atom info, then bond connections and types, followed by sections for more complex information. A MDL Molfile is a file format created by MDL and now owned by Symyx, for holding information about the atoms, bonds, connectivity and coordinates of a molecule.
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