Mercurial > repos > bgruening > sdf_to_tab

annotate test-data/mols.smi @ 3:71bc02c59d3a draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit a03b1b7b283901a1510562f1e6eba41f70afaac4"
author bgruening
date Mon, 23 Mar 2020 15:57:35 -0400
parents 193389d3a5f0
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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1
193389d3a5f0 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 20df7e562341cd30e89a14d6bde9054956fadc06"
bgruening
parents:
diff changeset
1 NCCCCC(N)C(=O)O lysine
193389d3a5f0 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 20df7e562341cd30e89a14d6bde9054956fadc06"
bgruening
parents:
diff changeset
2 O=C(O)C(N)C alanine
193389d3a5f0 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 20df7e562341cd30e89a14d6bde9054956fadc06"
bgruening
parents:
diff changeset
3 N[C@@H](CC1=CC=CC=C1)C(O)=O phenylanaline