view test-data/filterd_by_name.sdf @ 11:78640d0127ce draft

"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:36:19 -0400
parents 8b23033ff72c
children
line wrap: on
line source

abc_one
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M  END
>  <mr_id>
4358263

>  <SMI>
Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2

$$$$
abc_eleven
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M  END
>  <mr_id>
4362206

>  <SMI>
Cc1[nH]c(/C=C/2\C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN4CCOCC4

$$$$