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        "molfile": "Benzenaminium, 3-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diaz...\n  Marvin  01132106532D          \n\n 26 27  0  0  0  0            999 V2000\n   19.7394   -4.7010    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n   13.6972   -3.4990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0841   -4.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2771   -3.8795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8647   -4.5940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4167   -5.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1704   -4.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8849   -5.2840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5993   -4.8715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3137   -5.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0283   -4.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7427   -5.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.4572   -4.8715    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   18.1717   -5.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.4572   -4.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.1717   -4.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7427   -6.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0283   -6.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3137   -6.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2452   -6.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9416   -3.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1211   -3.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7856   -2.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2705   -1.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0910   -1.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4266   -2.4584    0.0000 C   0  0  0  0  0  0  0  0  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  5  6  2  0  0  0  0\n  7  6  1  0  0  0  0\n  3  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  2  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 13 15  1  0  0  0  0\n 13 16  1  0  0  0  0\n 12 17  2  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  2  0  0  0  0\n 10 19  1  0  0  0  0\n  6 20  1  0  0  0  0\n  4 21  1  0  0  0  0\n 21 22  2  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 25 24  1  0  0  0  0\n 26 25  2  0  0  0  0\n 21 26  1  0  0  0  0\nM  CHG  2   1  -1  13   1\nM  END",
        "smiles": "Cc1c(c(n(-c2ccccc2)n1)O)/N=N/c3cccc(c3)[N+](C)(C)C.[Cl-]",
        "formula": "C19H22N5O.Cl",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "371.8645",
        "optical_activity": "NONE",
        "references": [
          "911e26b3-673a-4ed5-9dc3-da7f81eb8db7",
          "12299299-f26e-45c5-ad81-11961c0fbbf6"
        ],
        "stereo_centers": 0
      },
      "unii": "4N63359G0X"
    }
  ]
}