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      "structure": {
        "id": "ac11fd71-c2ea-4ba3-89c3-8779332e626f",
        "molfile": "\n  Marvin  01132108562D          \n\n 33 31  0  0  0  0            999 V2000\n    9.3914   -2.5802    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    2.8247   -5.9580    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.5392   -5.5455    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9517   -6.2600    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.1267   -4.8311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2536   -5.1330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2536   -4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9681   -3.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9681   -3.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2536   -2.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5392   -3.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5392   -3.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2536   -1.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9681   -1.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6826   -1.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3971   -1.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3971   -0.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1116   -0.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1116    0.6367    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3385    1.5236    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.1635    0.6985    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.2866    0.6367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6826   -0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9681   -0.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5392   -1.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5392   -0.6009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8247   -0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1101   -0.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1101   -1.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8247   -1.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3914   -2.5802    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    9.3914   -2.5802    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    9.3914   -2.5802    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  3  5  2  0  0  0  0\n  3  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n  7 12  1  0  0  0  0\n 10 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  2  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  2  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 19 21  1  0  0  0  0\n 19 22  2  0  0  0  0\n 17 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 14 24  1  0  0  0  0\n 13 25  1  0  0  0  0\n 25 26  2  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  2  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  2  0  0  0  0\n 25 30  1  0  0  0  0\nM  CHG  8   1   1   2  -1   4  -1  20  -1  21  -1  31   1  32   1  33   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  4   1  31  32  33\nM  SPA   1  1   1\nM  SDI   1  4    8.9714   -3.0002    8.9714   -2.1602\nM  SDI   1  4    9.8114   -2.1602    9.8114   -3.0002\nM  SMT   1 4\nM  END",
        "smiles": "c1ccnc(c1)C(c2ccc(cc2)OP(=O)([O-])[O-])c3ccc(cc3)OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]",
        "formula": "C18H13NO8P2.4Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "525.205",
        "optical_activity": "NONE",
        "references": [
          "c406c343-b455-4461-ad86-92973c57b7d4",
          "0fa30c41-5441-4ca1-bacd-a0513306b168",
          "f24d3742-c596-448b-96c7-b02eaf9eb1db"
        ],
        "stereo_centers": 0
      },
      "unii": "9164VT6ANB"
    }
  ]
}