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-rw-r--r--5x_cv/fs/Bercu_CPDB_9March2010_mouse_pTD50_electronic_inchi.csv402
1 files changed, 0 insertions, 402 deletions
diff --git a/5x_cv/fs/Bercu_CPDB_9March2010_mouse_pTD50_electronic_inchi.csv b/5x_cv/fs/Bercu_CPDB_9March2010_mouse_pTD50_electronic_inchi.csv
deleted file mode 100644
index 574a581..0000000
--- a/5x_cv/fs/Bercu_CPDB_9March2010_mouse_pTD50_electronic_inchi.csv
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@@ -1,402 +0,0 @@
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