Mercurial > repos > bgruening > chemfp

diff chemfp_ob2fps/test-data/CID_2244.inchi @ 0:a8ac5250d59c

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author bgruening
date Tue, 26 Mar 2013 13:05:41 -0400
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/chemfp_ob2fps/test-data/CID_2244.inchi	Tue Mar 26 13:05:41 2013 -0400
@@ -0,0 +1,1 @@
+InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)