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        "molfile": "\n  Marvin  01132101452D          \n\n 33 35  0  0  0  0            999 V2000\n    5.2172   -4.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6258   -5.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3922   -4.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2172   -5.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9758   -5.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3922   -5.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9172   -1.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7422   -1.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5007   -0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1508   -0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9172    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7422    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9172   -2.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7422   -2.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5007   -2.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1508   -2.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9172   -4.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7422   -4.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5007   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1508   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6757   -2.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9758   -2.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6757   -3.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5007   -5.0050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7857   -4.5886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2157   -5.4136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0922   -5.7122    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.9758   -3.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6258   -6.4272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2172   -7.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6258   -7.8572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3922   -7.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -5.6808    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  2  4  2  0  0  0  0\n  3  5  1  0  0  0  0\n  3 28  1  0  0  0  0\n  4  6  1  0  0  0  0\n  4 29  1  0  0  0  0\n  5  6  2  0  0  0  0\n  7  9  1  0  0  0  0\n  7 15  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8 10  1  0  0  0  0\n  8 16  1  0  0  0  0\n  9 11  2  0  0  0  0\n 10 12  2  0  0  0  0\n 11 12  1  0  0  0  0\n 13 15  1  0  0  0  0\n 13 19  1  0  0  0  0\n 13 14  2  0  0  0  0\n 14 16  1  0  0  0  0\n 14 20  1  0  0  0  0\n 15 21  2  0  0  0  0\n 16 22  2  0  0  0  0\n 17 18  1  0  0  0  0\n 17 19  2  0  0  0  0\n 17 24  1  0  0  0  0\n 18 20  2  0  0  0  0\n 19 23  1  0  0  0  0\n 20 28  1  0  0  0  0\n 24 25  2  0  0  0  0\n 24 26  2  0  0  0  0\n 24 27  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  2  0  0  0  0\n 30 32  1  0  0  0  0\nM  CHG  2  27  -1  33   1\nM  END",
        "smiles": "CC(=O)Nc1ccc(cc1)Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)[O-].[Na+]",
        "formula": "C22H16N3O6S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "473.4356",
        "optical_activity": "NONE",
        "references": [
          "15ee12b3-a624-43ef-984b-22809ccb266b",
          "8607f807-7ced-426a-a9cb-5544e0ba6e88"
        ],
        "stereo_centers": 0
      },
      "unii": "WA81N3PV2R"
    }
  ]
}