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        "molfile": "\n  Marvin  01132102442D          \n\n 23 23  0  0  0  0            999 V2000\n    7.2716   -6.9733    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9091   -7.4969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6341   -6.4497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7480   -7.6109    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.7953   -6.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5050   -5.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6383   -4.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3527   -4.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0672   -4.1563    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   10.7817   -4.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0672   -3.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3527   -2.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6383   -3.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9238   -2.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2093   -3.3314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4949   -2.9188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7804   -3.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4949   -2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7804   -1.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7804   -0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4949   -0.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2093   -0.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2093   -1.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  2  0  0  0  0\n  1  4  1  0  0  0  0\n  1  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n  9 11  1  0  0  0  0\n 12 11  2  0  0  0  0\n 13 12  1  0  0  0  0\n  7 13  2  0  0  0  0\n 13 14  1  0  0  0  0\n 15 14  2  0  0  0  0\n 16 15  1  0  0  0  0\n 16 17  1  0  0  0  0\n 16 18  1  0  0  0  0\n 19 18  2  0  0  0  0\n 20 19  1  0  0  0  0\n 21 20  2  0  0  0  0\n 22 21  1  0  0  0  0\n 23 22  2  0  0  0  0\n 18 23  1  0  0  0  0\nM  CHG  2   4  -1   9   1\nM  END",
        "smiles": "C[n+]1ccc(cc1)/C=N/N(C)c2ccccc2.COS(=O)(=O)[O-]",
        "formula": "C14H16N3.CH3O4S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "337.3957",
        "optical_activity": "NONE",
        "references": [
          "589118f0-10cd-42d7-9cec-949566e6b359",
          "0b441fda-3c0f-4ab4-90b5-260b50a6261b"
        ],
        "stereo_centers": 0
      },
      "unii": "224I63D8K4"
    }
  ]
}