Mercurial > repos > bgruening > ctb_rdkit_descriptors

comparison test-data/rdkit_descriptors_subset.tab @ 8:a1c53f0533b0 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 4d0bfcf37bfbedafc7ff0672dfe452766ca8a606"
author bgruening
date Wed, 17 Feb 2021 12:59:43 +0000
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7:cf725c82c865 8:a1c53f0533b0
1 MoleculeID FormalCharge MolWt qed
2 3037 0 269.127 0.864713