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        "molfile": "\n  Marvin  01132107592D          \n\n 19 18  0  0  0  0            999 V2000\n   -2.2612   -1.8589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4362   -1.8589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4748   -1.0620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0737   -2.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1894   -2.6808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9039   -3.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4913   -2.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9038   -1.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7289   -1.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1414   -2.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7289   -3.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9664   -2.2885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3789   -3.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2039   -3.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6164   -3.7175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3789   -1.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2039   -1.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6164   -0.8596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3337   -2.2885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  1  5  2  0  0  0  0\n  6  7  2  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 10 11  2  0  0  0  0\n 11  6  1  0  0  0  0\n 10 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 12 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 19  7  1  0  0  0  0\nM  END",
        "smiles": "c1cc(ccc1N)N(CCO)CCO.OS(=O)(=O)O",
        "formula": "C10H16N2O2.H2O4S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "294.3262",
        "optical_activity": "NONE",
        "references": [
          "6dbf3b87-b329-42c7-9da9-6642cbcb5b67",
          "070633e8-c9d1-45a4-8208-e6d708c50044"
        ],
        "stereo_centers": 0
      },
      "unii": "3X5A8DP6HC"
    }
  ]
}