57493609
  -OEChem-05012417502D

  2  0  0     0  0  0  0  0  0999 V2000
    0.0000    2.5000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Ne  0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
57493609

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
0

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;neon

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;neon

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;neon

> <PUBCHEM_IUPAC_NAME>
sodium;neon

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;neon

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;neon

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Na.Ne/q+1;

> <PUBCHEM_IUPAC_INCHIKEY>
NKCXJTJLLRDQTL-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
42.98220946

> <PUBCHEM_MOLECULAR_FORMULA>
NaNe+

> <PUBCHEM_MOLECULAR_WEIGHT>
43.169

> <PUBCHEM_OPENEYE_CAN_SMILES>
[Ne].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[Ne].[Na+]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
42.98220946

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
2

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$