diff test-data/log_smiles.smi @ 4:ae66b58846cd draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/recetox_msfinder commit ad60bf881a8fd00546909c76d65ea3c6b65a4fe9
author recetox
date Fri, 01 Dec 2023 09:23:21 +0000
parents
children e7eff0c9baa3
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/log_smiles.smi	Fri Dec 01 09:23:21 2023 +0000
@@ -0,0 +1,1 @@
+Cl[Si]1Oc2ccccc2O1.[C-]#[O+].[C-]#[O+].[CH]1C=CC=C1.[Fe]