-OEChem-06111213162D

 10 10  0     0  0  0  0  0  0999 V2000
    2.1125   -4.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -3.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000   -3.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  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>
103411943

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEMBL

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEMBL158697

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEMBL158697

> <PUBCHEM_XREF_EXT_ID>
CHEMBL158697

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL158697

> <PUBCHEM_CID_ASSOCIATIONS>
61055  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$