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            "PUBLIC_DOMAIN_RELEASE"
          ]
        },
        {
          "uuid": "62ed5066-1967-e6af-f513-792b04cbb119",
          "citation": "EPA CompTox",
          "doc_type": "EPA",
          "public_domain": true
        }
      ],
      "definition_type": "PRIMARY",
      "moieties": [
        {
          "uuid": "42c24543-fc76-4410-b40e-88990cc482b0",
          "id": "42c24543-fc76-4410-b40e-88990cc482b0",
          "molfile": "\n  Marvin  01132103312D          \n\n  1  0  0  0  0  0            999 V2000\n    8.8973   -2.7751    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\nM  CHG  1   1   1\nM  END",
          "smiles": "[Na+]",
          "formula": "Na",
          "atropisomerism": "No",
          "charge": 1,
          "count": 2,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
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          "smiles": "c1cc(c(c2ccc(cc12)S(=O)(=O)O)/N=N/c3ccc(cc3)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": "c3a74a49-ed8b-420d-9b0a-4ecb4fcb7aec"
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          "defined_stereo": 0,
          "ez_centers": 1,
          "molecular_weight": "406.3926",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "b6e27b48-7938-4bba-8aa3-41d16b9dfcb2",
      "version": "19",
      "structure": {
        "id": "8aec1c61-31b0-44c5-8617-cfabf36b2db1",
        "molfile": "\n  Marvin  01132107132D          \n\n 29 29  0  0  0  0            999 V2000\n    0.9065   -1.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3371   -2.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3351   -1.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6181   -1.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6194   -2.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9058   -2.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1920   -2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1906   -3.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9090   -3.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6198   -3.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0494   -2.6730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7615   -2.2616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4764   -2.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4748   -3.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1889   -3.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9036   -3.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8999   -2.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1852   -2.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6183   -3.9044    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3303   -3.4901    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.2039   -4.6165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0297   -4.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0465   -1.0184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5253   -3.9074    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2372   -3.4930    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -0.1138   -4.6223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9396   -4.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8973   -2.7751    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    8.8973   -2.7751    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  5  6  1  0  0  0  0\n 13 14  2  0  0  0  0\n 14 15  1  0  0  0  0\n  6  7  1  0  0  0  0\n 15 16  2  0  0  0  0\n  2  3  1  0  0  0  0\n 16 17  1  0  0  0  0\n  7  8  2  0  0  0  0\n 17 18  2  0  0  0  0\n 18 13  1  0  0  0  0\n  1  6  2  0  0  0  0\n 16 19  1  0  0  0  0\n  8  9  1  0  0  0  0\n 19 20  1  0  0  0  0\n  3  4  2  0  0  0  0\n 19 21  2  0  0  0  0\n  9 10  2  0  0  0  0\n 19 22  2  0  0  0  0\n 10  5  1  0  0  0  0\n  3 23  1  0  0  0  0\n  4  1  1  0  0  0  0\n  8 24  1  0  0  0  0\n  2 11  1  0  0  0  0\n 24 25  1  0  0  0  0\n 24 26  2  0  0  0  0\n 11 12  2  0  0  0  0\n 24 27  2  0  0  0  0\n  5  2  2  0  0  0  0\n 12 13  1  0  0  0  0\nM  CHG  4  20  -1  25  -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    8.4773   -3.1951    8.4773   -2.3551\nM  SDI   1  4    9.3173   -2.3551    9.3173   -3.1951\nM  SMT   1 2\nM  END",
        "smiles": "c1cc(c(c2ccc(cc12)S(=O)(=O)[O-])/N=N/c3ccc(cc3)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": [
          "1b9066ac-f232-40c3-af69-745233321c69",
          "50e4af9c-e83d-4f7e-b291-f009ed095e7a"
        ],
        "stereo_centers": 0
      },
      "unii": "H77VEI93A8"
    }
  ]
}