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        "molfile": "\n  Marvin  01132105132D          \n\n 34 34  0  0  0  0            999 V2000\n    7.5042   -8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7845   -8.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7845   -7.3202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0770   -8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3658   -8.1503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3658   -7.3218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6482   -6.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6482   -6.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3582   -5.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9336   -5.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2191   -6.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2191   -6.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9336   -7.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0770   -9.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3658   -9.7951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7762  -10.5110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9509   -9.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6502  -10.2055    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.7845   -9.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5042   -9.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2235   -9.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9364   -9.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6537   -9.7921    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0614   -9.0749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2414  -10.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3663  -10.1998    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.9364   -8.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2173   -8.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2173   -7.3202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9345   -6.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9345   -6.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6518   -7.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9607   -8.1667    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    0.9607   -8.1667    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  8 10  2  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n 12 13  1  0  0  0  0\n 13  7  2  0  0  0  0\n  4 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  2  0  0  0  0\n 15 17  2  0  0  0  0\n 15 18  1  0  0  0  0\n 14 19  2  0  0  0  0\n 19 20  1  0  0  0  0\n 20  1  1  0  0  0  0\n 20 21  2  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 23 25  2  0  0  0  0\n 23 26  1  0  0  0  0\n 22 27  2  0  0  0  0\n 27 28  1  0  0  0  0\n 28  1  2  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  2  0  0  0  0\n 30 32  1  0  0  0  0\n  1  2  1  0  0  0  0\nM  CHG  4  18  -1  26  -1  33   1  34   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  33  34\nM  SPA   1  1  33\nM  SDI   1  4    0.5407   -8.5867    0.5407   -7.7467\nM  SDI   1  4    1.3807   -7.7467    1.3807   -8.5867\nM  SMT   1 2\nM  END",
        "smiles": "Cc1ccccc1/N=N/c2c(cc3cc(cc(c3c2O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]",
        "formula": "C19H15N3O8S2.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "523.4502",
        "optical_activity": "NONE",
        "references": [
          "1c0c2fb1-25c8-4459-80ae-dc6caf6b9353",
          "d3107925-7e9f-428b-af7e-d77f866edbab"
        ],
        "stereo_centers": 0
      },
      "unii": "02BXM5Q7GE"
    }
  ]
}