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      "structure": {
        "id": "2134b4f0-2263-4a68-a7b0-ac173936f8de",
        "molfile": "\n  Marvin  01132101532D          \n\n 32 33  0  0  0  0            999 V2000\n   -1.2307   -4.3763    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    4.3522   -3.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4044   -4.6990    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2277   -4.6469    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.5810   -4.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4565   -5.5224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6131   -3.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5610   -2.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8218   -2.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2480   -2.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1958   -1.4056    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    4.9870   -2.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0392   -3.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7783   -3.7853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8305   -4.6087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5695   -4.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3005   -4.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4207   -3.7765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8902   -5.1696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7036   -5.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9908   -4.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8042   -4.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3304   -4.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0431   -5.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5693   -6.1647    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0954   -6.8001    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   11.2047   -5.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9338   -6.6908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2297   -5.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5237   -5.9088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7075   -5.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1305   -6.3782    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  3  5  2  0  0  0  0\n  3  6  2  0  0  0  0\n  2  7  2  0  0  0  0\n  8  7  1  0  0  0  0\n  8  9  1  0  0  0  0\n 10  8  2  0  0  0  0\n 10 11  1  0  0  0  0\n 12 10  1  0  0  0  0\n 13 12  2  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  2  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  2  0  0  0  0\n 17 18  1  0  0  0  0\n 19 17  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  2  0  0  0  0\n 22 21  1  0  0  0  0\n 23 22  2  0  0  0  0\n 24 23  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 25 27  2  0  0  0  0\n 25 28  2  0  0  0  0\n 29 24  2  0  0  0  0\n 20 29  1  0  0  0  0\n 19 30  1  0  0  0  0\n 30 31  2  0  0  0  0\n 31 32  1  0  0  0  0\n 31 16  1  0  0  0  0\n  2 13  1  0  0  0  0\nM  CHG  3   1   2   4  -1  26  -1\nM  END",
        "smiles": "Cc1cc(c(cc1Cl)/N=N/c2c(C)nn(-c3cccc(c3)S(=O)(=O)[O-])c2O)S(=O)(=O)[O-].[Ca+2]",
        "formula": "C17H13ClN4O7S2.Ca",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "524.9715",
        "optical_activity": "NONE",
        "references": [
          "4ee6c18e-e9cd-45b5-8723-f1e563857583",
          "49def5f6-007d-4295-a4cd-2a9278136d8d"
        ],
        "stereo_centers": 0
      },
      "unii": "C08B82I20P"
    }
  ]
}