Mercurial > repos > bgruening > chemfp
comparison chemfp_ob2fps/test-data/CID_2244.inchi @ 0:a8ac5250d59c
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author | bgruening |
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date | Tue, 26 Mar 2013 13:05:41 -0400 |
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-1:000000000000 | 0:a8ac5250d59c |
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1 InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) |