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      "structure": {
        "id": "4fa65874-bad6-4afb-86f9-bc8be7c092d4",
        "molfile": "\n  Marvin  01132104092D          \n\n 28 29  0  0  0  0            999 V2000\n    0.5068   -6.2407    0.0000 Ba  0  2  0  0  0  0  0  0  0  0  0  0\n    1.7781   -4.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6031   -4.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0156   -4.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6031   -3.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0155   -2.5762    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7300   -2.9886    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.4280   -1.8617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3011   -2.1637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7781   -3.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3656   -4.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5406   -4.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8406   -4.0050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2531   -4.7195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0780   -4.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4905   -4.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3155   -4.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7280   -4.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3155   -5.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4905   -5.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0780   -6.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4905   -6.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3156   -6.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7280   -6.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7280   -3.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5530   -3.2906    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.3155   -2.5761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0780   -3.2906    0.0000 O   0  0  0  0  0  0  0  0  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  1  0  0  0  0\n  6  7  1  0  0  0  0\n  6  8  2  0  0  0  0\n  6  9  2  0  0  0  0\n  5 10  2  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n  2 11  2  0  0  0  0\n  4 13  1  0  0  0  0\n 13 14  2  0  0  0  0\n 15 14  1  0  0  0  0\n 15 16  1  0  0  0  0\n 17 16  2  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  2  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  2  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 19 24  1  0  0  0  0\n 15 20  2  0  0  0  0\n 17 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 25 27  2  0  0  0  0\n 16 28  1  0  0  0  0\nM  CHG  3   1   2   7  -1  26  -1\nM  END",
        "smiles": "Cc1ccc(c(c1)S(=O)(=O)[O-])/N=N/c2c3ccccc3cc(c2O)C(=O)[O-].[Ba+2]",
        "formula": "C18H12N2O6S.Ba",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "521.6913",
        "optical_activity": "NONE",
        "references": [
          "df562f5c-8702-4727-bf08-5645aa347677",
          "03d4ecc6-1cc6-4954-a2a2-f062cedade70"
        ],
        "stereo_centers": 0
      },
      "unii": "K4XZD9W99K"
    }
  ]
}