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annotate test-data/annotations.tsv @ 0:41c4de0ed4ec draft default tip

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planemo upload for repository https://github.com/computational-metabolomics/cfm-galaxy/tree/master/tools/cfm commit f0157bb3b01871411f27c1d5bd4ccee2039335d0
author computational-metabolomics
date Wed, 15 Nov 2023 16:28:04 +0000
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41c4de0ed4ec planemo upload for repository https://github.com/computational-metabolomics/cfm-galaxy/tree/master/tools/cfm commit f0157bb3b01871411f27c1d5bd4ccee2039335d0
computational-metabolomics
parents:
diff changeset
1 UID Rank Score Identifier InChI
41c4de0ed4ec planemo upload for repository https://github.com/computational-metabolomics/cfm-galaxy/tree/master/tools/cfm commit f0157bb3b01871411f27c1d5bd4ccee2039335d0
computational-metabolomics
parents:
diff changeset
2 5 1 1 HMDB0000123 InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
41c4de0ed4ec planemo upload for repository https://github.com/computational-metabolomics/cfm-galaxy/tree/master/tools/cfm commit f0157bb3b01871411f27c1d5bd4ccee2039335d0
computational-metabolomics
parents:
diff changeset
3 5 2 1 HMDB0031239 InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3
41c4de0ed4ec planemo upload for repository https://github.com/computational-metabolomics/cfm-galaxy/tree/master/tools/cfm commit f0157bb3b01871411f27c1d5bd4ccee2039335d0
computational-metabolomics
parents:
diff changeset
4 5 3 0.66666667 HMDB0014691 InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
41c4de0ed4ec planemo upload for repository https://github.com/computational-metabolomics/cfm-galaxy/tree/master/tools/cfm commit f0157bb3b01871411f27c1d5bd4ccee2039335d0
computational-metabolomics
parents:
diff changeset
5 9 1 0.89839572 HMDB0002151 InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
41c4de0ed4ec planemo upload for repository https://github.com/computational-metabolomics/cfm-galaxy/tree/master/tools/cfm commit f0157bb3b01871411f27c1d5bd4ccee2039335d0
computational-metabolomics
parents:
diff changeset
6 19 1 1.1336898 HMDB0002039 InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
41c4de0ed4ec planemo upload for repository https://github.com/computational-metabolomics/cfm-galaxy/tree/master/tools/cfm commit f0157bb3b01871411f27c1d5bd4ccee2039335d0
computational-metabolomics
parents:
diff changeset
7 19 2 0.71657754 HMDB0060427 InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3