Mercurial > repos > bgruening > openbabel_spectrophore_search
annotate test-data/obremsmall_on_3_mol.smi @ 13:9ce9f996b941 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 1fe240ef0064a1a4a66d9be1ccace53824280b75"
author | bgruening |
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date | Mon, 19 Oct 2020 14:41:00 +0000 |
parents | 7133973beaf0 |
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rev | line source |
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7133973beaf0
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
bgruening
parents:
diff
changeset
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1 CC(=O)OC1=CC=CC=C1C(=O)[O-] |
7133973beaf0
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
bgruening
parents:
diff
changeset
|
2 CC(=O)OC1=CC=CC=C1C(=O)[O-] |