Mercurial > repos > bgruening > openbabel_spectrophore_search
annotate test-data/ob_remDuplicates_on_2_mol.smi @ 3:a1db432874e5 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit c376ab981fafb25f0c04a2a313968fa2e55f5196
author | bgruening |
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date | Sat, 20 May 2017 20:06:43 -0400 |
parents | 7133973beaf0 |
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7133973beaf0
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
bgruening
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1 CC(=O)OC1=CC=CC=C1C(=O)[O-] |