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        "molfile": "\n  Marvin  01132103152D          \n\n 19 17  0  0  0  0            999 V2000\n    0.3830   -2.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2460   -2.9057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5907   -3.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0460   -2.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0460   -3.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2715   -4.1747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4180   -3.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8112   -4.2998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3048   -2.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8809   -3.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9039   -2.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3677   -1.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3677   -4.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6691   -4.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4180   -5.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0981   -3.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6086   -5.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5482   -2.1806    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    3.5619   -2.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  1  2  0  0  0  0\n  5  1  1  0  0  0  0\n  6  3  2  0  0  0  0\n  7  3  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10  5  2  0  0  0  0\n 11  4  1  0  0  0  0\n 12  4  1  0  0  0  0\n 13  5  1  0  0  0  0\n 14  8  1  0  0  0  0\n 15  8  1  0  0  0  0\n 16 14  1  0  0  0  0\n 17 15  1  0  0  0  0\n 11  9  2  0  0  0  0\nM  END",
        "smiles": "CCN(CC)CC(=O)Nc1c(C)cccc1C.Cl.O",
        "formula": "C14H22N2O.ClH.H2O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "288.814",
        "optical_activity": "NONE",
        "references": [
          "c45f7853-d82d-4b9f-b741-b4116dd3ef49",
          "16bf88eb-6e5a-4194-825f-a91a683b1f89"
        ],
        "stereo_centers": 0
      },
      "unii": "V13007Z41A"
    }
  ]
}