Mercurial > repos > metexplore > met4j

diff tools/attributes/GetMetaboliteAttributes/test-data/tests.tsv @ 9:0976a6257300 draft

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planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 05db35f63cadb9d56dafff594a3507c59cd85273
author metexplore
date Fri, 31 Jan 2025 18:28:53 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/tools/attributes/GetMetaboliteAttributes/test-data/tests.tsv	Fri Jan 31 18:28:53 2025 +0000
@@ -0,0 +1,9 @@
+id	name	formula	charge	smiles	inchi
+A	A	null	0	null	null
+B	B	null	0	null	null
+A_ext	A_ext	null	0	C[C@@H](C(=O)O)NC	1S/C2H6O/c1-2-3/h3H,2H2,1H3
+C	C	null	0	null	null
+D	D	null	0	null	null
+E	E	null	0	null	null
+D_ext	D_ext	null	0	null	null
+E_ext	E_ext	null	0	null	null