9999
  -OEChem-04252421232D

  4  3  0     0  0  0  0  0  0999 V2000
    2.0000   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  3  0  0  0  0
  2  4  3  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9999

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
71.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADAAAAAAAAAABAAAAAAAAAAAQBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
oxalonitrile

> <PUBCHEM_IUPAC_CAS_NAME>
oxalonitrile

> <PUBCHEM_IUPAC_NAME_MARKUP>
oxalonitrile

> <PUBCHEM_IUPAC_NAME>
oxalonitrile

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethanedinitrile

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyanogen

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2N2/c3-1-2-4

> <PUBCHEM_IUPAC_INCHIKEY>
JMANVNJQNLATNU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.1

> <PUBCHEM_EXACT_MASS>
52.006148008

> <PUBCHEM_MOLECULAR_FORMULA>
C2N2

> <PUBCHEM_MOLECULAR_WEIGHT>
52.03

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(#N)C#N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(#N)C#N

> <PUBCHEM_CACTVS_TPSA>
47.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
52.006148008

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$