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          "molfile": "\n  Marvin  01132103252D          \n\n 30 31  0  0  0  0            999 V2000\n    0.0000   -0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7578   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3959   -1.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0016    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4578   -1.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4185   -2.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6057   -1.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2507   -2.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2208   -2.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3939   -3.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1883   -3.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7992   -2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5937   -3.0231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2020   -2.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9807   -2.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5916   -2.1343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3730   -2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9839   -1.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7652   -2.0687    0.0000 N   0  3  0  0  0  0  0  0  0  3  0  0\n    9.0327   -2.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6000   -0.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2109   -1.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0395   -1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4249   -2.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2561   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6887   -1.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2902   -0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4721   -0.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6209   -1.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8265   -1.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  2  1  0  0  0  0\n  2  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  6  1  0  0  0  0\n  9  6  1  0  0  0  0\n 10  9  1  0  0  0  0\n 30  9  2  0  0  0  0\n 11 10  2  0  0  0  0\n 11 12  1  0  0  0  0\n 13 12  1  0  0  0  0\n 12 29  2  0  0  0  0\n 14 13  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  1  0  0  0  0\n 21 19  1  0  0  0  0\n 22 19  1  0  0  0  0\n 23 22  1  0  0  0  0\n 24 23  1  0  0  0  0\n 28 23  2  0  0  0  0\n 25 24  2  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  2  0  0  0  0\n 27 28  1  0  0  0  0\n 29 30  1  0  0  0  0\nM  CHG  1  19   1\nM  END",
          "smiles": "CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCC[N+](C)(C)Cc2ccccc2",
          "formula": "C27H42NO2",
          "atropisomerism": "No",
          "charge": 1,
          "count": 1,
          "stereochemistry": "RACEMIC",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "1bec3018-b36b-4c90-b79a-c1ab8c48ac08"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "412.6289",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "fea689dc-69eb-4ab2-91f7-8c2f402b2127",
      "version": "29",
      "structure": {
        "id": "597f705b-46ef-4719-9bc5-4a63ea66ca46",
        "molfile": "\n  Marvin  01132104382D          \n\n 31 31  0  0  0  0            999 V2000\n    1.4185   -2.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7652   -2.0687    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    2.2208   -2.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4578   -1.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7578   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8265   -1.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3939   -3.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2109   -1.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7992   -2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1883   -3.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6209   -1.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0395   -1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5937   -3.0231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6057   -1.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2507   -2.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9839   -1.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0327   -2.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6000   -0.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5916   -2.1343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3959   -1.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0016    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3730   -2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2020   -2.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9807   -2.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4721   -0.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4249   -2.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2561   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2902   -0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6887   -1.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4181   -2.2051    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n  2 16  1  0  0  0  0\n  3  1  1  0  0  0  0\n  4  1  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  3  1  0  0  0  0\n  7  3  2  0  0  0  0\n  8  2  1  0  0  0  0\n  9 11  1  0  0  0  0\n 10  7  1  0  0  0  0\n 11  6  2  0  0  0  0\n 12  8  1  0  0  0  0\n 13  9  1  0  0  0  0\n 14  1  1  0  0  0  0\n 15  1  1  0  0  0  0\n 16 23  1  0  0  0  0\n 17  2  1  0  0  0  0\n 18  2  1  0  0  0  0\n 19 25  1  0  0  0  0\n 20  5  1  0  0  0  0\n 21  5  1  0  0  0  0\n 22  5  1  0  0  0  0\n 23 19  1  0  0  0  0\n 24 13  1  0  0  0  0\n 25 24  1  0  0  0  0\n 26 12  1  0  0  0  0\n 27 12  2  0  0  0  0\n 28 27  1  0  0  0  0\n 29 26  2  0  0  0  0\n 30 29  1  0  0  0  0\n 10  9  2  0  0  0  0\n 28 30  2  0  0  0  0\nM  CHG  2   2   1  31  -1\nM  END",
        "smiles": "CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCC[N+](C)(C)Cc2ccccc2.[Cl-]",
        "formula": "C27H42NO2.Cl",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "448.0818",
        "optical_activity": "NONE",
        "references": [
          "c5eccbde-edc7-46d2-8953-0fdcf073b9b7",
          "7d1407d5-7142-4b8e-aa89-bc139d4d04f9",
          "462ec5e5-187c-47ea-8a1f-ee0bac8be2b8"
        ],
        "stereo_centers": 0
      },
      "unii": "PH41D05744"
    }
  ]
}