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          "molfile": "\n  Marvin  01132103212D          \n\n 27 29  0  0  0  0            999 V2000\n   -0.8727   -0.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0494   -0.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3551   -1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1812   -1.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6027   -0.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4232   -0.8931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1127   -1.3469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9358   -1.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3502   -0.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7672   -0.0466    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.1840   -0.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5962   -1.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1775   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5865   -2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1684   -3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3448   -3.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9390   -2.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3539   -2.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7627   -0.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5607   -0.2516    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.5456    0.7502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2070   -0.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3780   -0.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2015    0.6546    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0268    0.6556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1855    1.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3796    0.6513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n 23  2  2  0  0  0  0\n  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5 22  2  0  0  0  0\n  6  7  2  0  0  0  0\n  8  7  1  0  0  0  0\n  8  9  1  0  0  0  0\n  8 18  2  0  0  0  0\n  9 10  1  0  0  0  0\n 11  9  2  0  0  0  0\n 12 11  1  0  0  0  0\n 11 19  1  0  0  0  0\n 13 12  2  0  0  0  0\n 13 14  1  0  0  0  0\n 13 18  1  0  0  0  0\n 15 14  2  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  2  0  0  0  0\n 18 17  1  0  0  0  0\n 19 20  1  0  0  0  0\n 19 21  2  0  0  0  0\n 22 23  1  0  0  0  0\n 22 24  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  10  -1  20  -1\nM  END",
          "smiles": "Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c2c3ccccc3cc(c2[O-])C(=O)[O-]",
          "formula": "C18H12N2O6S",
          "atropisomerism": "No",
          "charge": -2,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "255a6457-64bb-4b41-8e4c-1552b0e2e085"
          },
          "defined_stereo": 0,
          "ez_centers": 1,
          "molecular_weight": "384.3645",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "83cf1103-5a3e-476e-ba06-19e586291a0a",
      "version": "9",
      "structure": {
        "id": "9e9a24d4-c95a-4add-bed7-5a39c5870bf7",
        "molfile": "\n  Marvin  01132108142D          \n\n 29 29  0  0  0  0            999 V2000\n    0.3551   -1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1812   -1.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6027   -0.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2070   -0.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3780   -0.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0494   -0.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8727   -0.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2015    0.6546    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0268    0.6556    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.1855    1.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3796    0.6513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4232   -0.8931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9358   -1.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5962   -1.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1840   -0.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3502   -0.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1775   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3539   -2.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9390   -2.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3448   -3.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1684   -3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5865   -2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1127   -1.3469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7672   -0.0466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7627   -0.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5607   -0.2516    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.5456    0.7502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5634   -2.8130    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    7.5634   -2.8130    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  6  7  1  0  0  0  0\n 13 16  1  0  0  0  0\n 17 14  2  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  2  0  0  0  0\n 17 18  1  0  0  0  0\n  4  8  1  0  0  0  0\n  1  2  1  0  0  0  0\n  1  6  2  0  0  0  0\n  2  3  2  0  0  0  0\n  8  9  1  0  0  0  0\n 17 22  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  2  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  2  0  0  0  0\n  8 10  2  0  0  0  0\n 13 23  1  0  0  0  0\n 12 23  2  0  0  0  0\n  8 11  2  0  0  0  0\n 16 24  1  0  0  0  0\n  3  4  1  0  0  0  0\n 15 25  1  0  0  0  0\n  3 12  1  0  0  0  0\n  4  5  2  0  0  0  0\n 25 26  1  0  0  0  0\n 25 27  2  0  0  0  0\n 13 18  2  0  0  0  0\n  5  6  1  0  0  0  0\nM  CHG  4   9  -1  26  -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    7.1434   -3.2330    7.1434   -2.3930\nM  SDI   1  4    7.9834   -2.3930    7.9834   -3.2330\nM  SMT   1 2\nM  END",
        "smiles": "Cc1ccc(c(c1)S(=O)(=O)[O-])/N=N/c2c3ccccc3cc(c2O)C(=O)[O-].[Na+].[Na+]",
        "formula": "C18H12N2O6S.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "430.344",
        "optical_activity": "NONE",
        "references": [
          "07326728-825b-4eb9-af22-63ac31cfdf95",
          "db172eee-72a6-4eff-ba4c-bcf0d9e6ec7d"
        ],
        "stereo_centers": 0
      },
      "unii": "481744AI4O"
    }
  ]
}