Structure Data File
From Just Solve the File Format Problem
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The current maintainer, BIOVIA, a company owned by Dassault Systèmes, publishes a specification for all its chemical table file formats, including SDF: [https://discover.3ds.com/sites/default/files/2020-08/biovia_ctfileformats_2020.pdf CTFile Formats]. | The current maintainer, BIOVIA, a company owned by Dassault Systèmes, publishes a specification for all its chemical table file formats, including SDF: [https://discover.3ds.com/sites/default/files/2020-08/biovia_ctfileformats_2020.pdf CTFile Formats]. | ||
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| + | == Identification == | ||
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| + | SDF files are a concatenation of MOL files, each of them separated by a new line and the pattern '$$$$'. Consequently, SDF files end with the hexadecimal pattern '(0D|0A|0D0A)24242424' | ||
== Sample Files == | == Sample Files == | ||
Revision as of 16:50, 20 August 2026
The Structure Data File is one of several scientific data file formats known as SDF. It is a component of the CTab format for chemical and molecular data originally created by MDL Information Systems (MDL). For more detail, see CTab.
Specification
The current maintainer, BIOVIA, a company owned by Dassault Systèmes, publishes a specification for all its chemical table file formats, including SDF: CTFile Formats.
Identification
SDF files are a concatenation of MOL files, each of them separated by a new line and the pattern '$$$$'. Consequently, SDF files end with the hexadecimal pattern '(0D|0A|0D0A)24242424'
Sample Files
- Sample SDF files can be downloaded from the Life Chemicals website - requires registration to a free account.
- More Sample Files OTAVA chemicals
