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view test-data/obgrep_on_8_mol.smi @ 2:bf3b0107c0f4 draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 78ac0521d7df684e96c1b9c1ba2a17b02e681608
author bgruening
date Sat, 20 May 2017 20:03:56 -0400
parents c9bee3591df9
children
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CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([C@H]3C[C@@H]2[C@@H]1C(=O)OC)[nH]c1c4ccc(c1)OC)OC(=O)c1cc(c(c(c1)OC)OC)OC.C1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl	
CC(=O)Oc1ccccc1C(=O)[O-]	
CC(=O)Oc1ccccc1C(=O)[O-]