InChI Standard – Download for all versions
Current version
InChI version 1.06 for Standard and Non-Standard InChI/InChIKey (15 December 2020) it includes several additions and modifications to previous versions; it is a combination of a “bugfix release” and “feature release”.
- INCHI-1-DOC.zip – Documentation for v.1.06 (15 Dec 2020).
- INCHI-1-BIN.zip – Software binaries
- INCHI-1-SRC.zip – InChI Software source codes. This file/directory also contains examples of InChI API usage.
- INCHI-1-TEST.zip – Example data files
- IUPAC / InChI Trust Licence: PDF Format
Previous Versions
Download InChI software version 1.05 for InChI/InChIKey (27 January 2017)
This package contains InChI Software version 1.05 (January 2017) final release.
- support for chemical element numbers 113-118 was newly added;
- experimental support of InChI/InChIKey for simple regular single-strand polymers was implemented;
- experimental support of large molecules containing up to 32767 atoms was added;
- ability to read necessary for large molecules input files in Molfile V3000 format was added;
- provisional support for extended features of Molfile V3000 was added;
- InChI API Library was significantly updated; in particular, a novel API procedure for direct
conversion of Molfile input to InChI has been added; a whole new set of API procedures for both low and high-level operations (InChI extensible interface, IXA) has been added; - the source code was significantly modified in order to ensure multi-thread execution safety of
the InChI Library; several minor bugfixes/changes were made and several convenience options
were added to the inchi-1 executable.
- INCHI-1-DOC.zip – Documentation for v.1.05 (January 2017).
- INCHI-1-BIN.zip – Software binaries
- INCHI-1-SRC.zip – InChI Software source codes. This file/directory also contains examples of InChI API usage.
- INCHI-1-TEST.zip – Example data files
- IUPAC / InChI Trust Licence: PDF Format
- readme.txt and external-contributors.pdf
Download InChI software version 1.04 for Standard and Non-Standard InChI/InChIKey (1 September 2011)
This version now supports the chemical elements up to 112, copernicium (the last one which is currently recognized by IUPAC; support for elements 105-112 is newly added). The inchi-1 executable (both Windows and Linux versions) now allows the processing of multiple input files in a single run (common file name wildcards are recognized). In addition version 1.04 also fixes a number of minor bugs.
- INCHI-1-DOC.zip – contains documentation related to InChI/InChIKey identifiers v. 1 and InChI software v. 1.04 (September 2011).
- INCHI-1-BIN.zip – contains stand-alone executables for generating the InChI/InChIKey (Windows and Linux).
- INCHI-1-API.zip – contains code, VC++ projects and gcc makefiles of command-line program inchi-1, as well as of InChI generation library (plus sample applications which use the Library).
- INCHI-1-TEST.zip – contains the files representing various chemical structures and a simple test suite for InChI/InChIKey software.
IUPAC / InChI Trust Licence No. 1.0 for the International Chemical Identifier (InChI) Software version 1.04: PDF Format / DOC Format
Each zip should be unpacked into a separate directory. For the details, see ‘RelNotes.pdf’ document in INCHI-1-DOC and the ‘readme.txt’ files in the respective directories.
Documentation for InChI software v. 1.04 (September 2011)
These are individual InChI software v. 1.04 documentation files from the INCHI-1-DOC.ZIP file for rapid access:
InChI software version 1.03 Source Code Documentation (March 2011)
The InChI Source Code Documentation provided by the InChI Trust:
InChI software version 1.03) for Standard and Non-Standard InChI/InChIKey (June 2010)
- INCHI-1-DOC.zip – contains documentation related to InChI/InChIKey identifiers v. 1 and InChI software v. 1.03 (2010).
- INCHI-1-BIN.zip– contains stand-alone executables for generating the InChI/InChIKey (Windows and Linux).
- INCHI-1-API.zip – contains code, VC++ projects and gcc makefiles of command-line program inchi-1, as well as of InChI generation library (plus sample applications which use the Library).
- INCHI-1-TEST.zip – contains the files representing various chemical structures and simple test suite for InChI/InChIKey software.
- LICENSE.PDF – copy of GNU LGPL licence [pdf file]
Each zip should be unpacked into a separate directory. For the details, see ‘RelNotes.pdf’ document in INCHI-1-DOC and the ‘readme.txt’ files in the respective directories.
InChI software version 1.02 for Standard InChI/InChIKey
- stdinchi-1-api.zip – source/binaries of standard InChI Library with examples of usage
- stdinchi-1-bin.zip – main executables (stdinchi-1.exe and stdwinchi-1.exe for Windows, stdinchi-1.gz for Linux)
- stdinchi-1-doc.zip – documentation
- LICENSE.PDF – copy of GNU LGPL licence [pdf file]
InChI software version 1.02beta) September 2007
- inchi102b.zip – source code and Application Program Interface (API), stand-alone executable (cInChI), description of new features, with examples of using new functionality copy of GNU LGPL licence
InChI software version 1.01 August 2006
- InChI-1.zip – InChI version 1 (software version 1.01) documentation, and Windows and Linux (i386) executable programs
- InChI-1-API.zip – InChI version 1 (software version 1.01) source code and Application Program Interface (API)
- InChI-1-validation.zip – InChI validation protocol
- Whats_New.pdf – What’s new in InChI software version 1.01