Mercurial > repos > recetox > matchms_metadata_merge

annotate test-data/metadata_merge/metadata.csv @ 3:caf007467c84 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 0ea5c86ceabe9f24dd61b399127b0d19a0ae2657
author recetox
date Fri, 01 Dec 2023 11:18:46 +0000
parents 107186a6fcec
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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0
107186a6fcec planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f5f5a8eff32c9b5de792dce99bc3c63dc971e82c
recetox
parents:
diff changeset
1 Name,inchikey,SMILES
107186a6fcec planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f5f5a8eff32c9b5de792dce99bc3c63dc971e82c
recetox
parents:
diff changeset
2 ADP,XTWYTFMLZFPYCI-UHFFFAOYSA-N,C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O
107186a6fcec planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f5f5a8eff32c9b5de792dce99bc3c63dc971e82c
recetox
parents:
diff changeset
3 Kojic acid,BEJNERDRQOWKJM-UHFFFAOYSA-N,C1=C(OC=C(C1=O)O)CO
107186a6fcec planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f5f5a8eff32c9b5de792dce99bc3c63dc971e82c
recetox
parents:
diff changeset
4 Cyclizine,,CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3