Mercurial > repos > recetox > retip_descriptors

view test-data/pubchem-bad.tsv @ 8:29aaad80929f draft default tip

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"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/retip commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
author recetox
date Fri, 28 Jan 2022 16:29:12 +0000
parents 70940eb0f6e7
children
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X1	recetox_cid	molecular_formula	qsar_smiles
42	13502	InChI=1S/C6H16NO/c1-7(2,3)5-4-6-8/h8H,4-6H2,1-3H3/q+1	OCCC[N](C)(C)C