44144864
  -OEChem-05062421032D

 26 26  0     0  0  0  0  0  0999 V2000
    5.4641    1.2500    0.0000 Pb  0  4  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2500    0.0000 Pb  0  4  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4 12  1  0  0  0  0
  5 12  2  0  0  0  0
  6 14  1  0  0  0  0
  7 13  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
M  CHG  6   4  -1   7  -1  10  -1  12   1  13   1  14   1
M  RAD  2   1   2   2   2
M  END
> <PUBCHEM_COMPOUND_CID>
44144864

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
408

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjPAAAAAAAAAAAAEAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAEAAAADAyBmAAyxoAQQACBAiRCQwCCAAAgIgAgiAAFbIoKJiKA0dOAMABkwFEIyAewwCAOAEAAQAQIEAAAgACACBAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H6N2O5.NO3.O.2Pb/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;2-1(3)4;;;/h2-3,10H,1H3;;;;/q;-1;;;+2/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
ISENQVKJFJUNEH-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
690.95588

> <PUBCHEM_MOLECULAR_FORMULA>
C7H5N3O9Pb2

> <PUBCHEM_MOLECULAR_WEIGHT>
6.9e+02

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=CC(=C1O[Pb](O[N+](=O)[O-])O[Pb])[N+](=O)[O-])[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=CC(=C1O[Pb](O[N+](=O)[O-])O[Pb])[N+](=O)[O-])[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
165

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
690.95588

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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

> <PUBCHEM_BONDANNOTATIONS>
15  16  8
15  18  8
16  17  8
17  20  8
18  19  8
19  20  8

$$$$