-OEChem-03131213522D

 10  9  0     1  0  0  0  0  0999 V2000
    0.2302    0.2923    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.6406   -0.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4861   -0.1223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1844    1.0087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3711    1.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0833    0.2923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6547   -0.5327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9425    0.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6547    0.2923    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3711    0.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
103297588

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEMBL

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEMBL88621

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEMBL88621

> <PUBCHEM_XREF_EXT_ID>
CHEMBL88621

> <PUBCHEM_EXT_DATASOURCE_URL>
https://www.ebi.ac.uk/chembldb

> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL88621

> <PUBCHEM_CID_ASSOCIATIONS>
3857  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$