File: Issue3374639.1.mol

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file content (15 lines) | stat: -rw-r--r-- 553 bytes parent folder | download | duplicates (8)
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chembl_488131.simplified.sdf
  Mrv0540 07221107192D          

  5  4  0  0  0  0            999 V2000
   -1.1050   -0.1501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2937   -0.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4130    0.9012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1050    0.7751    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3662    0.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  2  5  1  1  0  0  0
M  END
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