Mercurial > repos > bgruening > prepare_ligands_for_docking

annotate test-data/ob_remove_protonation_state.inchi @ 5:a5f4b80e6769 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 1fe240ef0064a1a4a66d9be1ccace53824280b75"
author bgruening
date Mon, 19 Oct 2020 14:48:46 +0000
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a5f4b80e6769 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 1fe240ef0064a1a4a66d9be1ccace53824280b75"
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1 InChI=1S/C7H5O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H,9,10);