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          "smiles": "CCOC(=O)c1c(c(=O)n(-c2ccc(cc2)S(=O)(=O)[O-])[nH]1)/N=N/c3ccc(c4ccccc43)S(=O)(=O)[O-]",
          "formula": "C22H16N4O9S2",
          "atropisomerism": "No",
          "charge": -2,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "17a03b3b-f52f-4b7f-bae8-da8e1860a173"
          },
          "defined_stereo": 0,
          "ez_centers": 1,
          "molecular_weight": "544.5169",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "95428fa6-79cc-4037-803b-bd905298d653",
      "version": "5",
      "structure": {
        "id": "4211e7d3-44f1-43c4-93d6-c97412ab99bd",
        "molfile": "\n  Marvin  01132103292D          \n\n 39 40  0  0  0  0            999 V2000\n   12.6750   -8.5208    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    8.6928   -6.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6063   -5.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2740   -6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0287   -6.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1831   -5.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8528   -5.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7669   -4.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0120   -4.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3422   -4.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4314   -5.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4312   -3.9267    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9144   -4.5981    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.0961   -3.4401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9526   -3.2561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9150   -6.0261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7113   -6.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8977   -6.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3772   -7.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6620   -7.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4757   -8.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0044   -7.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5608   -7.0090    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7010   -6.1939    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -0.2523   -6.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4180   -7.8205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8180   -7.5556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4057   -6.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1833   -8.2883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1460   -7.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0054   -8.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2916   -6.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5773   -8.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3482   -9.5628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3782   -8.5723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9501   -9.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7510   -8.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8893   -7.0240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6750   -8.5208    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  8  9  1  0  0  0  0\n  6  4  1  0  0  0  0\n  9 10  2  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 10 11  1  0  0  0  0\n 11  6  2  0  0  0  0\n  4  5  2  0  0  0  0\n 23 24  1  0  0  0  0\n 23 25  2  0  0  0  0\n 23 26  2  0  0  0  0\n 19 23  1  0  0  0  0\n  5  2  1  0  0  0  0\n 22 27  1  0  0  0  0\n  2  3  2  0  0  0  0\n 12 13  1  0  0  0  0\n 12 14  2  0  0  0  0\n 27 28  1  0  0  0  0\n 27 29  1  0  0  0  0\n 28 30  2  0  0  0  0\n 29 31  2  0  0  0  0\n 30 31  1  0  0  0  0\n 12 15  2  0  0  0  0\n 28 32  1  0  0  0  0\n  8 12  1  0  0  0  0\n 31 33  1  0  0  0  0\n  6  7  1  0  0  0  0\n 33 34  2  0  0  0  0\n 16 11  1  0  0  0  0\n 33 35  1  0  0  0  0\n 17 18  2  0  0  0  0\n 35 36  1  0  0  0  0\n  3  7  1  0  0  0  0\n 36 37  1  0  0  0  0\n  7  8  2  0  0  0  0\n 30 38  1  0  0  0  0\n 16 38  2  0  0  0  0\nM  CHG  4   1   1  13  -1  24  -1  39   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2   1  39\nM  SPA   1  1   1\nM  SDI   1  4   12.2550   -8.9408   12.2550   -8.1008\nM  SDI   1  4   13.0950   -8.1008   13.0950   -8.9408\nM  SMT   1 2\nM  END",
        "smiles": "CCOC(=O)c1c(c(n(-c2ccc(cc2)S(=O)(=O)[O-])n1)O)/N=N/c3ccc(c4ccccc43)S(=O)(=O)[O-].[Na+].[Na+]",
        "formula": "C22H16N4O9S2.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "590.4964",
        "optical_activity": "NONE",
        "references": [
          "b140fb7c-9a16-403f-9a44-2856210c62db",
          "3b020c76-f30a-4855-a25e-15c9b2ec5dac"
        ],
        "stereo_centers": 0
      },
      "unii": "RGU455OS50"
    }
  ]
}