Mercurial > repos > recetox > matchms_spectral_similarity
view test-data/metadata_merge/metadata.csv @ 18:7ba589b01dbc draft default tip
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 129488bfd91735fc55fe32edb1079c24eee7b2d3
author | recetox |
---|---|
date | Thu, 14 Nov 2024 15:07:35 +0000 |
parents | 50229f084c4e |
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