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        "molfile": "\n  Marvin  01132104022D          \n\n 28 29  0  0  0  0            999 V2000\n    7.0916   -2.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9356   -2.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3411   -3.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9356   -3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0916   -3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6768   -3.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8610   -3.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4554   -3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6209   -3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2060   -4.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3810   -4.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9708   -3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3810   -3.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2060   -3.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1408   -3.7481    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    1.7213   -4.4647    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.7213   -3.0361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6209   -5.1861    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9089   -5.5918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3423   -4.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0311   -5.9028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1613   -3.0361    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    9.5763   -2.3195    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.5763   -3.7481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6768   -1.5981    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3933   -1.1973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9694   -2.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2711   -0.8909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  1  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  8  7  2  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 10 11  2  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  2  0  0  0  0\n 13 14  1  0  0  0  0\n 14  9  2  0  0  0  0\n 12 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 15 17  2  0  0  0  0\n 10 18  1  0  0  0  0\n 18 19  2  0  0  0  0\n 18 20  1  0  0  0  0\n 18 21  2  0  0  0  0\n  3 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 22 24  2  0  0  0  0\n  1 25  1  0  0  0  0\n 25 26  2  0  0  0  0\n 25 27  1  0  0  0  0\n 25 28  2  0  0  0  0\nM  CHG  4  15   1  16  -1  22   1  23  -1\nM  END",
        "smiles": "C(=C\\c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])/c2ccc(cc2S(=O)(=O)O)[N+](=O)[O-]",
        "formula": "C14H10N2O10S2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "430.3693",
        "optical_activity": "NONE",
        "references": [
          "a562c05d-210e-4175-abc7-5328f39914ff",
          "95584d89-0e3f-44bd-9ea5-dd01dfc67cb8"
        ],
        "stereo_centers": 0
      },
      "unii": "6ND7PC82E2"
    }
  ]
}