-OEChem-07191013262D

 11 11  0     0  0  0  0  0  0999 V2000
   60.0000   35.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   70.0000   52.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   70.0000   17.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   55.0000   54.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   40.0000   35.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0000   17.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0000   52.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000   17.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000   52.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   35.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10537405

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST Chemistry WebBook

> <PUBCHEM_EXT_DATASOURCE_REGID>
3771043088

> <PUBCHEM_SUBSTANCE_SYNONYM>
Aniline-o-sulfonic acid
o-Aminobenzenesulfonic acid

> <PUBCHEM_XREF_EXT_ID>
3771043088

> <PUBCHEM_EXT_DATASOURCE_URL>
http://webbook.nist.gov/chemistry/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://webbook.nist.gov/cgi/cbook.cgi?InChI=InChI%3D1/C6H7NO3S/c7-5-3-1-2-4-6%285%2911%288%2C9%2910/h1-4H%2C7H2%2C%28H%2C8%2C9%2C10%29%0A

> <PUBCHEM_CID_ASSOCIATIONS>
6926  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$