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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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