-OEChem-09021010382D

 12 12  0     1  0  0  0  0  0999 V2000
    0.7500   -1.0323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    0.3943    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5805   -4.2221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9011   -5.4464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.0323    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2135    0.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6332   -2.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1255   -2.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0102   -3.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5026   -3.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3873   -4.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3 12  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
26542493

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
The Scripps Research Institute Molecular Screening Center

> <PUBCHEM_EXT_DATASOURCE_REGID>
SR-01000632164-1

> <PUBCHEM_SUBSTANCE_COMMENT>
MWT: 205.345
MFMLA: C8 H15 N O S2
SampleSupplier:Maybridge
Catalog: JFD 01918

> <PUBCHEM_SUBSTANCE_SYNONYM>
SR-01000632164-1

> <PUBCHEM_XREF_EXT_ID>
SR-01000632164-1

> <PUBCHEM_EXT_DATASOURCE_URL>
http://molscreen.florida.scripps.edu/

> <PUBCHEM_CID_ASSOCIATIONS>
863  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$