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        "molfile": "\n  Marvin  01132101262D          \n\n 49 52  0  0  0  0            999 V2000\n   15.4082   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8348   -1.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.1229   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8348   -2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4082   -2.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.1246   -2.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6937   -2.4785    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   16.1246   -3.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8392   -3.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4102   -3.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6956   -3.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9812   -3.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9812   -4.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6957   -4.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4102   -4.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.2657   -3.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5537   -3.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.2657   -4.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8392   -4.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5555   -4.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2668   -4.9491    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   12.5523   -4.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8379   -4.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2668   -5.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5523   -6.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8394   -7.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5521   -7.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1246   -7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8348   -5.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1230   -6.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4086   -5.7763    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6941   -5.3637    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.3805   -6.4293    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   18.9802   -4.9489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   19.6946   -4.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.4092   -4.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9802   -5.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.6946   -6.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.1212   -6.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.4094   -5.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.1212   -7.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.6946   -7.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.4111   -7.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.8357   -5.7736    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8847   -6.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8161   -4.9804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   22.5502   -5.3611    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   21.4232   -5.0592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   22.2482   -6.4881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  6  4  1  0  0  0  0\n  5  6  2  0  0  0  0\n  2  3  1  0  0  0  0\n  1  5  1  0  0  0  0\n  4  2  2  0  0  0  0\n  3  1  2  0  0  0  0\n  5  7  1  0  0  0  0\n  6  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  8 10  2  0  0  0  0\n 14 15  2  0  0  0  0\n 13 14  1  0  0  0  0\n 12 13  1  0  0  0  0\n 11 12  2  0  0  0  0\n 15 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 20 18  1  0  0  0  0\n 19 20  2  0  0  0  0\n 16 17  1  0  0  0  0\n 18 16  2  0  0  0  0\n 17  9  2  0  0  0  0\n  9 19  1  0  0  0  0\n 13 21  2  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 21 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 30 28  1  0  0  0  0\n 29 30  2  0  0  0  0\n 26 27  1  0  0  0  0\n 28 26  2  0  0  0  0\n 27 25  2  0  0  0  0\n 25 29  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31 32  1  0  0  0  0\n 18 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 35 36  1  0  0  0  0\n 34 37  1  0  0  0  0\n 37 38  1  0  0  0  0\n 43 41  1  0  0  0  0\n 42 43  2  0  0  0  0\n 39 40  1  0  0  0  0\n 41 39  2  0  0  0  0\n 40 38  2  0  0  0  0\n 38 42  1  0  0  0  0\n 39 44  1  0  0  0  0\n 31 45  2  0  0  0  0\n 31 46  2  0  0  0  0\n 44 47  1  0  0  0  0\n 44 48  2  0  0  0  0\n 44 49  2  0  0  0  0\nM  CHG  4  21   1  32  -1  33   1  47  -1\nM  END",
        "smiles": "CC/[N+](=C1\\C=CC(=C(/c2ccc(cc2)N(CC)Cc3cccc(c3)S(=O)(=O)[O-])\\c4ccccc4Cl)/C=C1)/Cc5cccc(c5)S(=O)(=O)[O-].[Na+]",
        "formula": "C37H34ClN2O6S2.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 2,
        "molecular_weight": "725.2519",
        "optical_activity": "NONE",
        "references": [
          "c5b83c6e-be75-4f49-9321-bd6a5164d435",
          "7daa59e5-7f1c-6fb1-c474-ee119711b934"
        ],
        "stereo_centers": 0
      },
      "unii": "350YUK2Q7J"
    }
  ]
}