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        "molfile": "\n  Marvin  01132108032D          \n\n 21 15  0  0  0  0            999 V2000\n    8.4995   -8.5546    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   14.2745   -8.2425    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5614   -7.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8344   -8.2425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8344   -9.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1352   -9.4822    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5361  -10.1907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4266   -9.8831    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   11.7109   -8.7457    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   12.1258   -7.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1258   -7.0072    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9601   -7.0072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1258   -6.1730    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   11.3007   -7.0072    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   14.6894   -7.5294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8550   -8.9695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9970   -8.6713    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.4995   -8.5546    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    8.4995   -8.5546    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    8.4995   -8.5546    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    8.4995   -8.5546    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  6  8  1  0  0  0  0\n  6  9  1  0  0  0  0\n  4 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n 11 13  1  0  0  0  0\n 11 14  1  0  0  0  0\n  2 15  1  0  0  0  0\n  2 16  2  0  0  0  0\n  2 17  1  0  0  0  0\nM  CHG  8   1   1   8  -1   9  -1  13  -1  14  -1  17  -1  18   1  19   1\nM  CHG  2  20   1  21   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  5   1  18  19  20  21\nM  SPA   1  1   1\nM  SDI   1  4    8.0795   -8.9746    8.0795   -8.1346\nM  SDI   1  4    8.9195   -8.1346    8.9195   -8.9746\nM  SMT   1 5\nM  END",
        "smiles": "C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)(O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]",
        "formula": "C3H7NO9P3.5Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "408.9593",
        "optical_activity": "NONE",
        "references": [
          "2ae4851a-5b87-4fb5-96bb-88789a5abd05",
          "660b6a7c-fa50-4bda-b567-f8008575932a"
        ],
        "stereo_centers": 0
      },
      "unii": "IEE518JT88"
    }
  ]
}