HMDB0246546
     RDKit          3D
4-Nitrophenylacetic acid
 20 20  0  0  0  0  0  0  0  0999 V2000
   -2.1222   -1.6300   -0.7507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7694   -0.6340   -0.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1484   -0.6033   -0.4281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0338    0.5445    0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5674    0.3238    0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1765    0.6644   -0.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5357    0.4719   -1.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2254   -0.0824    0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262   -0.2693   -0.0444 N   0  0  0  0  0  4  0  0  0  0  0  0
    4.2826    0.0400   -1.0463 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805   -0.8121    1.0257 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.4836   -0.4233    1.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1137   -0.2217    1.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7161   -0.0139    0.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4114    0.7251    1.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3214    1.4230   -0.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3068    1.1046   -1.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1427    0.7372   -1.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0095   -0.8553    1.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4795   -0.4893    2.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  8 12  1  0
 12 13  2  0
 13  5  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  6 17  1  0
  7 18  1  0
 12 19  1  0
 13 20  1  0
M  CHG  2   9   1  11  -1
M  END