HMDB0034106
     RDKit          3D
Methyl isothiocyanate
  7  6  0  0  0  0  0  0  0  0999 V2000
   -0.8860    0.0526    0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2770   -0.7744   -0.1532 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4604   -0.4216    0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    0.3719   -0.0041 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2108    0.1792    1.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7908    1.0500   -0.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7240   -0.4577   -0.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  2  0
  1  5  1  0
  1  6  1  0
  1  7  1  0
M  END