Mercurial > repos > recetox > matchms_formatter

view test-data/metadata_merge/metadata.csv @ 33:5fa29e292e12 draft default tip

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a57d984a9850c1faa44b6948981eb1303881ba9c
author recetox
date Thu, 14 Aug 2025 12:38:14 +0000
parents afc881c21a62
children
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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