Mercurial > repos > recetox > matchms_formatter

diff test-data/metadata_merge/metadata.csv @ 16:afc881c21a62 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f5f5a8eff32c9b5de792dce99bc3c63dc971e82c
author recetox
date Thu, 23 Nov 2023 09:54:20 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/metadata_merge/metadata.csv	Thu Nov 23 09:54:20 2023 +0000
@@ -0,0 +1,4 @@
+Name,inchikey,SMILES
+ADP,XTWYTFMLZFPYCI-UHFFFAOYSA-N,C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O
+Kojic acid,BEJNERDRQOWKJM-UHFFFAOYSA-N,C1=C(OC=C(C1=O)O)CO
+Cyclizine,,CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3
\ No newline at end of file