-OEChem-01131113502D

 20 20  0     0  0  0  0  0  0999 V2000
    0.6681    1.7745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5323    0.1211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5240    2.6137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2463    1.3736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6639    0.1211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3924    1.7995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100    1.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100    0.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821    1.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5240    1.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0960    1.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821    0.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0960    0.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9603    1.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6784    1.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5323   -0.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1064    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3882    2.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1022    3.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8204    1.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3 10  2  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5 12  1  0  0  0  0
  6 15  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
103170845

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEMBL

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEMBL86

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEMBL86
Clopra
Clopra-"Yellow"
Maxolon
Metoclopramide
Reglan

> <PUBCHEM_XREF_EXT_ID>
CHEMBL86

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL86

> <PUBCHEM_CID_ASSOCIATIONS>
4168  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$