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          "molfile": "\n  Marvin  01132106492D          \n\n 33 36  0  0  0  0            999 V2000\n    8.9741  -15.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6886  -14.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6886  -13.9657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4031  -13.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1176  -13.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8321  -13.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5466  -13.9657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2610  -13.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9755  -13.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6899  -13.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4045  -13.9657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2612  -14.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8932  -15.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6899  -12.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4045  -12.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9755  -12.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2610  -12.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5466  -12.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5466  -11.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2610  -11.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2610  -10.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5466   -9.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8321  -10.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8321  -11.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0196  -11.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8221  -11.7642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4893  -10.5895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7140  -10.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0821  -10.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8321  -12.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1176  -12.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4031  -12.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6886  -12.3157    0.0000 C   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  3  1  0  0  0  0\n  5  4  2  0  0  0  0\n  4 32  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n 30  6  2  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  2  0  0  0  0\n  8 17  1  0  0  0  0\n 10  9  1  0  0  0  0\n 10 11  2  3  0  0  0\n 14 10  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 14 15  1  0  0  0  0\n 16 14  2  0  0  0  0\n 17 16  1  0  0  0  0\n 18 17  2  0  0  0  0\n 18 19  1  0  0  0  0\n 30 18  1  0  0  0  0\n 20 19  1  0  0  0  0\n 19 24  2  0  0  0  0\n 21 20  2  0  0  0  0\n 22 21  1  0  0  0  0\n 23 22  2  0  0  0  0\n 24 23  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  2  0  0  0  0\n 25 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 31 30  1  0  0  0  0\n 32 31  2  0  0  0  0\n 32 33  1  0  0  0  0\nM  END",
          "smiles": "CCNc1cc2c(cc1C)c(-c3ccccc3C(=O)OCC)c-4cc(C)c(=NCC)cc4o2",
          "formula": "C28H30N2O3",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "42f71164-d099-4bb9-9d24-015667c30394"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "442.5504",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "1f19a52b-5888-4e6a-ae6c-a9e311287548",
      "version": "12",
      "structure": {
        "id": "e7289303-c633-4f73-b3da-71778cb02f99",
        "molfile": "\n  Marvin  01132111582D          \n\n 34 36  0  0  0  0            999 V2000\n   12.5466  -12.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8321  -12.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1176  -12.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4031  -12.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4031  -13.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6886  -13.9657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6886  -14.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9741  -15.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1176  -13.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8321  -13.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5466  -13.9657    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0\n   13.2610  -13.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2610  -12.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9755  -12.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6899  -12.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4045  -12.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6899  -13.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4045  -13.9657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2612  -14.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8932  -15.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9755  -13.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6886  -12.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5466  -11.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2610  -11.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2610  -10.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5466   -9.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8321  -10.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8321  -11.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0196  -11.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8221  -11.7642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4893  -10.5895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7140  -10.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0821  -10.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6785  -15.3400    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  2  0  0  0  0\n  5  4  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  9  5  2  0  0  0  0\n 10  9  1  0  0  0  0\n  2 10  1  0  0  0  0\n 11 10  2  0  0  0  0\n 12 11  1  0  0  0  0\n 12 13  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 15 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 17 21  2  0  0  0  0\n 21 12  1  0  0  0  0\n  4 22  1  0  0  0  0\n  1 23  1  0  0  0  0\n 24 23  1  0  0  0  0\n 25 24  2  0  0  0  0\n 26 25  1  0  0  0  0\n 27 26  2  0  0  0  0\n 28 27  1  0  0  0  0\n 23 28  2  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  2  0  0  0  0\n 29 31  1  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  1  0  0  0  0\nM  CHG  2  11   1  34  -1\nM  END",
        "smiles": "CCNc1cc2c(cc1C)c(-c3ccccc3C(=O)OCC)c4cc(C)c(cc4[o+]2)NCC.[Cl-]",
        "formula": "C28H31N2O3.Cl",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "479.0113",
        "optical_activity": "NONE",
        "references": [
          "1c265614-acfe-4068-b5f2-9582d3b547f3",
          "3931fc05-3233-4678-af67-ce0ec624898a"
        ],
        "stereo_centers": 0
      },
      "unii": "037VRW83CF"
    }
  ]
}