Mercurial > repos > recetox > matchms_remove_spectra

annotate test-data/metadata_merge/metadata.csv @ 4:6fa0150f6172 draft default tip

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit bd80a813fb2f01f22eed0c874f8911ce4d00762a
author recetox
date Mon, 30 Jun 2025 13:00:00 +0000
parents 80df426e7e47
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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0
80df426e7e47 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 113433b8b9790405c2c5d054aee4a29a21b77dc7
recetox
parents:
diff changeset
1 Name,inchikey,SMILES
80df426e7e47 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 113433b8b9790405c2c5d054aee4a29a21b77dc7
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
80df426e7e47 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 113433b8b9790405c2c5d054aee4a29a21b77dc7
recetox
parents:
diff changeset
3 Kojic acid,BEJNERDRQOWKJM-UHFFFAOYSA-N,C1=C(OC=C(C1=O)O)CO
80df426e7e47 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 113433b8b9790405c2c5d054aee4a29a21b77dc7
recetox
parents:
diff changeset
4 Cyclizine,,CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3