HMDB0250607
     RDKit          3D
Cyanoacetic acid
  9  8  0  0  0  0  0  0  0  0999 V2000
   -2.6689    0.9502    0.1458 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6983    0.3411   -0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4687   -0.4143   -0.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7001    0.1994    0.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4823    1.2458    1.0605 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9694   -0.3129    0.3454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3094   -0.4983   -1.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6632   -1.4505    0.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6567   -0.0605   -0.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  3  7  1  0
  3  8  1  0
  6  9  1  0
M  END