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          "molfile": "\n  Marvin  01132105342D          \n\n 27 29  0  0  0  0            999 V2000\n   10.4973   -4.4978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0200   -5.1772    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3083   -4.7526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6071   -5.8566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7376   -5.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4551   -5.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1639   -5.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1639   -6.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4551   -6.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4551   -7.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7376   -8.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0200   -7.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2937   -8.0824    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.0200   -6.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2937   -6.4513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5761   -6.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8644   -6.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1704   -6.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4440   -6.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4440   -5.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1000   -5.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8644   -5.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7376   -6.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8990   -5.1772    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6253   -4.7700    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   13.3002   -5.9064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4832   -4.4626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  2  3  2  0  0  0  0\n  2  4  2  0  0  0  0\n  5  2  1  0  0  0  0\n  5  6  1  0  0  0  0\n 23  5  2  0  0  0  0\n  6  7  2  0  0  0  0\n  8  7  1  0  0  0  0\n  7 24  1  0  0  0  0\n  9  8  2  0  0  0  0\n  9 10  1  0  0  0  0\n 23  9  1  0  0  0  0\n 10 11  2  0  0  0  0\n 12 11  1  0  0  0  0\n 12 13  1  0  0  0  0\n 14 12  2  0  0  0  0\n 14 15  1  0  0  0  0\n 23 14  1  0  0  0  0\n 15 16  2  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 17 22  2  0  0  0  0\n 18 19  2  0  0  0  0\n 19 20  1  0  0  0  0\n 21 20  2  0  0  0  0\n 22 21  1  0  0  0  0\n 24 25  1  0  0  0  0\n 24 26  2  0  0  0  0\n 24 27  2  0  0  0  0\nM  CHG  2  13  -1  25  -1\nM  END",
          "smiles": "c1ccc(cc1)/N=N/c2c(ccc3cc(cc(c32)S(=O)(=O)O)S(=O)(=O)[O-])[O-]",
          "formula": "C16H10N2O7S2",
          "atropisomerism": "No",
          "charge": -2,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "092a74a1-735d-43b4-b43e-252139f76b6f"
          },
          "defined_stereo": 0,
          "ez_centers": 1,
          "molecular_weight": "406.3926",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "0d39a60a-a705-4b2b-b6e8-77f191e22301",
      "version": "13",
      "structure": {
        "id": "cfc39d1f-ff6b-4467-941a-33598fb954b4",
        "molfile": "\n  Marvin  01132110442D          \n\n 29 29  0  0  0  0            999 V2000\n   10.7376   -6.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7376   -5.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0200   -6.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4551   -6.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4551   -5.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0200   -5.1772    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0200   -7.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2937   -6.4513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1639   -6.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4551   -7.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1639   -5.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3083   -4.7526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6071   -5.8566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4973   -4.4978    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.7376   -8.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2937   -8.0824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5761   -6.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8990   -5.1772    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8644   -6.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3002   -5.9064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4832   -4.4626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6253   -4.7700    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.1704   -6.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8644   -5.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4440   -6.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1000   -5.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4440   -5.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7802   -3.4459    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    7.7802   -3.4459    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  1  4  1  0  0  0  0\n  2  5  2  0  0  0  0\n  2  6  1  0  0  0  0\n  3  7  1  0  0  0  0\n  3  8  1  0  0  0  0\n  4  9  1  0  0  0  0\n  4 10  2  0  0  0  0\n  5 11  1  0  0  0  0\n  6 12  2  0  0  0  0\n  6 13  2  0  0  0  0\n  6 14  1  0  0  0  0\n  7 15  2  0  0  0  0\n  7 16  1  0  0  0  0\n  8 17  2  0  0  0  0\n 11 18  1  0  0  0  0\n 17 19  1  0  0  0  0\n 18 20  2  0  0  0  0\n 18 21  2  0  0  0  0\n 18 22  1  0  0  0  0\n 19 23  1  0  0  0  0\n 19 24  2  0  0  0  0\n 23 25  2  0  0  0  0\n 24 26  1  0  0  0  0\n 25 27  1  0  0  0  0\n  9 11  2  0  0  0  0\n 10 15  1  0  0  0  0\n 26 27  2  0  0  0  0\nM  CHG  4  14  -1  22  -1  28   1  29   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  28  29\nM  SPA   1  1  28\nM  SDI   1  4    7.3602   -3.8659    7.3602   -3.0259\nM  SDI   1  4    8.2002   -3.0259    8.2002   -3.8659\nM  SMT   1 2\nM  END",
        "smiles": "c1ccc(cc1)/N=N/c2c(ccc3cc(cc(c32)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]",
        "formula": "C16H10N2O7S2.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "452.3721",
        "optical_activity": "NONE",
        "references": [
          "378a47d0-1993-4bdd-b8be-666c40b2903a",
          "ee60db78-02cb-4bc0-8eff-c540adbd02f9"
        ],
        "stereo_centers": 0
      },
      "unii": "1Q6EJU80RN"
    }
  ]
}