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        "molfile": "\n  Marvin  01132108322D          \n\n 35 36  0  0  0  0            999 V2000\n   11.5374   -7.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8230   -7.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1087   -7.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3940   -7.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3940   -8.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6795   -8.9155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6795   -9.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9653  -10.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9653   -8.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2506   -8.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1087   -8.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8230   -8.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5374   -6.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2520   -6.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2520   -5.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5374   -4.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5374   -3.9656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8230   -3.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8230   -2.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2520   -3.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2520   -2.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8230   -5.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8230   -6.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2520   -7.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2520   -8.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9664   -8.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6809   -8.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3953   -8.9155    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   15.1097   -8.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8243   -8.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3953   -9.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1097  -10.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6809   -7.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9664   -7.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4978   -7.1407    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  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  6  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 11  5  2  0  0  0  0\n 12 11  1  0  0  0  0\n  2 12  2  0  0  0  0\n  1 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  2  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 17 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 22 16  2  0  0  0  0\n 23 22  1  0  0  0  0\n 13 23  2  0  0  0  0\n  1 24  2  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  2  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  2  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 28 31  1  0  0  0  0\n 31 32  1  0  0  0  0\n 33 27  1  0  0  0  0\n 34 33  2  0  0  0  0\n 24 34  1  0  0  0  0\nM  CHG  2  28   1  35  -1\nM  END",
        "smiles": "CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC.[Cl-]",
        "formula": "C31H42N3.Cl",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "492.1394",
        "optical_activity": "NONE",
        "references": [
          "adfa92e9-20eb-4e8e-bce9-8cd381cf1dc1",
          "5dc714e6-7af1-4794-8336-f06fa841e355"
        ],
        "stereo_centers": 0
      },
      "unii": "94UZ9RD7TJ"
    }
  ]
}