123280
  -OEChem-04262401362D

  3  1  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5000    0.0000 La  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  4  0  0  0  0  0  0  0  0  0  0
  2  3  3  0  0  0  0
M  CHG  1   2  -1
M  RAD  1   3   2
M  END
> <PUBCHEM_COMPOUND_CID>
123280

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
10.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2.La/c1-2;/q-1;

> <PUBCHEM_IUPAC_INCHIKEY>
ZKEYULQFFYBZBG-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
162.906363

> <PUBCHEM_MOLECULAR_FORMULA>
C2La-

> <PUBCHEM_MOLECULAR_WEIGHT>
162.93

> <PUBCHEM_OPENEYE_CAN_SMILES>
[C-]#[C].[La]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[C-]#[C].[La]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
162.906363

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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_NONSTANDARDBOND>
1  2  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$