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        "molfile": "\n  Marvin  01132101052D          \n\n 50 47  0  0  0  0            999 V2000\n   10.0682  -12.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2432  -12.7831    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    9.2432  -11.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9577  -11.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9577  -10.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6722  -10.3081    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   11.4972  -10.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6721   -9.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3866   -9.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3866   -8.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1011   -7.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1010   -7.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8155   -6.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8155   -5.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5300   -5.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5300   -4.5331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2445   -4.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2445   -3.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9590   -2.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.6734   -3.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.6734   -4.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.3879   -4.5331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.3879   -5.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1024   -5.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1024   -6.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9577   -9.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6722  -11.9581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2432  -13.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5288  -14.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5288  -14.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8143  -15.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8143  -16.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0998  -16.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0998  -17.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3854  -17.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3854  -18.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6709  -18.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6709  -19.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9564  -20.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9564  -21.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2419  -21.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2419  -22.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5274  -22.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8130  -22.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0985  -22.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9577  -14.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0847  -11.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4182  -12.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6126  -13.1318    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n   12.6822  -11.2328    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  6  5  1  0  0  0  0\n  6  7  1  0  0  0  0\n  6  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 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 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n  8 26  2  0  0  0  0\n  4 27  1  0  0  0  0\n  2 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 35 36  1  0  0  0  0\n 36 37  1  0  0  0  0\n 37 38  1  0  0  0  0\n 38 39  1  0  0  0  0\n 39 40  1  0  0  0  0\n 40 41  1  0  0  0  0\n 41 42  1  0  0  0  0\n 42 43  1  0  0  0  0\n 43 44  1  0  0  0  0\n 44 45  1  0  0  0  0\n 28 46  2  0  0  0  0\n  6 47  1  0  0  0  0\n  2 48  1  0  0  0  0\nM  CHG  4   2   1   6   1  49  -1  50  -1\nM  END",
        "smiles": "CCCCCCCCCCCCCCCCCC(=O)[N+](C)(C)CC(C[N+](C)(C)C(=O)CCCCCCCCCCCCCCCCC)O.[Cl-].[Cl-]",
        "formula": "C43H88N2O3.2Cl",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "752.0779",
        "optical_activity": "NONE",
        "references": [
          "e5c64b02-63c8-40ce-9a9a-5bdc27975774",
          "c29161fa-49aa-41d4-9e7f-178a71d4ea9a"
        ],
        "stereo_centers": 0
      },
      "unii": "OVB1E9X12I"
    }
  ]
}