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      "structure": {
        "id": "c9dc595f-218e-4b5a-a060-de13d86ba56d",
        "molfile": "\n  Marvin  01132110252D          \n\n 29 30  0  0  0  0            999 V2000\n    3.8391   -4.5670    0.0000 Ba  0  2  0  0  0  0  0  0  0  0  0  0\n    7.7705   -6.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0518   -6.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0518   -5.6015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7638   -5.1866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7638   -4.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0448   -3.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0448   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3293   -2.7185    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    7.7572   -2.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7572   -1.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4763   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4763   -3.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1931   -4.3538    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7849   -5.0754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6014   -3.6371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9099   -4.7668    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.3440   -6.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6287   -6.4280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3440   -7.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6287   -8.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9117   -7.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6287   -8.8948    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.0518   -8.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7705   -7.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4888   -8.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2014   -7.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2014   -6.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4832   -6.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  8 10  2  0  0  0  0\n 10 11  1  0  0  0  0\n 10 12  1  0  0  0  0\n 12 13  2  0  0  0  0\n 13  6  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  2  0  0  0  0\n 14 16  2  0  0  0  0\n 14 17  1  0  0  0  0\n  3 18  2  0  0  0  0\n 18 19  1  0  0  0  0\n 18 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  2  0  0  0  0\n 21 23  1  0  0  0  0\n 20 24  2  0  0  0  0\n 24 25  1  0  0  0  0\n 25  2  2  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  2  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  2  0  0  0  0\n 29  2  1  0  0  0  0\nM  CHG  3   1   2  17  -1  23  -1\nM  END",
        "smiles": "Cc1cc(c(cc1Cl)/N=N/c2c3ccccc3cc(c2O)C(=O)[O-])S(=O)(=O)[O-].[Ba+2]",
        "formula": "C18H11ClN2O6S.Ba",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "556.1363",
        "optical_activity": "NONE",
        "references": [
          "df8381c8-e63b-4c6d-8d16-9e614f78f8c9",
          "d1f25367-0e45-43a2-8335-506f777b84e8"
        ],
        "stereo_centers": 0
      },
      "unii": "1F2ZF80SRN"
    }
  ]
}