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view test-data/obgrep_on_8_mol.smi @ 5:dac6932d7114 draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 81bccfe3545098dc46a377102816e7fae642c95f
author bgruening
date Wed, 03 Jan 2018 13:12:45 -0500
parents df6d948e95ba
children
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c1coc(c1)CNc1cc(c(cc1C(=O)O)S(=O)(=O)N)Cl	
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	
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-]