Mercurial > repos > bgruening > ctb_rdkit_descriptors

view test-data/mols.smi @ 7:cf725c82c865 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:43:19 -0400
parents 414edd9ea77d
children
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NCCCCC(N)C(=O)O	lysine
O=C(O)C(N)C	alanine
N[C@@H](CC1=CC=CC=C1)C(O)=O	phenylanaline