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        "molfile": "\n  Marvin  01132104112D          \n\n 28 30  0  0  0  0            999 V2000\n    6.0852  -10.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3693  -10.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3693   -9.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0852   -9.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7964   -9.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7964  -10.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5124  -10.7082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2283  -10.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9442  -10.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6601  -10.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3759  -10.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3759  -11.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6601  -11.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9442  -11.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2283  -11.9457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0872  -10.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0872   -9.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3759   -9.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6601   -9.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6534   -9.0538    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8678   -8.2555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8791   -8.7724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3026   -9.8020    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.6534  -10.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6534  -11.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3693  -11.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0852  -11.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9363   -9.5704    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  2  0  0  0  0\n  1  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  2  0  0  0  0\n  9 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 11 16  1  0  0  0  0\n 16 17  2  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  2  0  0  0  0\n 10 19  1  0  0  0  0\n  3 20  1  0  0  0  0\n 20 21  2  0  0  0  0\n 20 22  2  0  0  0  0\n 20 23  1  0  0  0  0\n  2 24  2  0  0  0  0\n 24 25  1  0  0  0  0\n 26 25  2  0  0  0  0\n 27 26  1  0  0  0  0\n  1 27  2  0  0  0  0\nM  CHG  2  23  -1  28   1\nM  END",
        "smiles": "c1ccc2c(c1)ccc(c2/N=N/c3ccc(c4ccccc43)S(=O)(=O)[O-])O.[Na+]",
        "formula": "C20H13N2O4S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "400.3848",
        "optical_activity": "NONE",
        "references": [
          "35508baa-f76d-4b61-a419-5613292f00d3",
          "6f804036-1e41-46ba-aa67-37786c41d2b4"
        ],
        "stereo_centers": 0
      },
      "unii": "7Z2135Z4K4"
    }
  ]
}