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@johnmay
Last active October 26, 2021 18:58
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[john@***** scratch]$ INCHI-1-BIN/linux/64bit/inchi-1 -inchi2struct tmp.inchi -OutputSDF output.sdf
InChI version 1, Software v. 1.06 (inchi-1 executable)
Linux 64-bit Build (gcc 4.8.5 20150623 (Red Hat 4.8.5-39)) of Dec 19 2020 21:02:16
Opened log file 'tmp.inchi.log'
Opened input file 'tmp.inchi'
Opened output file 'output.sdf'
Opened problem file 'tmp.inchi.prb'
The command line used:
"INCHI-1-BIN/linux/64bit/inchi-1 -inchi2struct tmp.inchi -OutputSDF output.sdf"
Converting InChI(s) to structure(s) in MOL format
Output SDfile only without stereochemical information and atom coordinates
Input format: InChI (plain identifier)
Output format: SDfile only (without stereochemical info and atom coordinates)
Timeout per structure: 60000 msec
Up to 1024 atoms per structure
Finished processing 1 structure: 0 errors, processing time 0:00:00.00
[john@***** scratch]$ more output.sdf
Structure #1.
InChIV10
6 6 0 0 0 0 0 0 0 0 1 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
2 4 1 0 0 0 0
3 5 2 0 0 0 0
4 6 2 0 0 0 0
5 6 1 0 0 0 0
M END
$$$$
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