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        "molfile": "\n  Marvin  01132104322D          \n\n 22 22  0  0  0  0            999 V2000\n    7.2406   -4.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2406   -5.6795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9499   -6.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9499   -6.9117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2193   -7.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6874   -5.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6874   -4.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9679   -4.4361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4148   -4.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1279   -4.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5259   -4.4482    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7984   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0870   -4.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0870   -3.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3698   -3.2283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8096   -3.2121    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.3557   -4.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6362   -4.4655    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    4.3557   -5.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0671   -6.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7984   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1910   -3.0477    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  3  6  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  1  1  0  0  0  0\n  9  7  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11  1  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15 14  2  0  0  0  0\n 16 14  1  0  0  0  0\n 17 13  2  0  0  0  0\n 18 17  1  0  0  0  0\n 17 19  1  0  0  0  0\n 19 20  2  0  0  0  0\n 20 21  1  0  0  0  0\n 21 12  2  0  0  0  0\nM  CHG  2  16  -1  22   1\nM  END",
        "smiles": "COc1cc(nc(n1)Sc2cccc(c2C(=O)[O-])Cl)OC.[Na+]",
        "formula": "C13H10ClN2O4S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "348.7388",
        "optical_activity": "NONE",
        "references": [
          "30f444d0-f36b-4265-9848-162f5677b340",
          "40d0f1cb-62a9-4ba9-a047-dbcba9fc8d3b"
        ],
        "stereo_centers": 0
      },
      "unii": "5M13LUJ9WY"
    }
  ]
}