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      "structure": {
        "id": "e914045f-6fe3-44df-93d2-709e1ef9bbcf",
        "molfile": "\n  Marvin  01132112042D          \n\n 27 28  0  0  0  0            999 V2000\n    9.5789  -10.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0009  -11.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5789  -11.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7539  -11.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3439  -11.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7539  -10.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5115  -11.0604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0281  -10.3868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2424  -10.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2424  -11.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0281  -11.7218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2721  -12.5078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5687  -11.9586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8143  -11.6217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0749  -12.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0749  -12.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3354  -13.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6469  -12.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6469  -11.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3743  -11.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5687  -10.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3439  -12.4930    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   10.0009   -9.6204    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2811   -9.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7091  -10.0425    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.4112   -8.9003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9829  -11.1605    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  1  2  2  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  2  0  0  0  0\n  1  6  1  0  0  0  0\n  5  7  1  0  0  0  0\n  8  7  1  0  0  0  0\n  8  9  2  0  0  0  0\n 10  9  1  0  0  0  0\n 10 11  2  0  0  0  0\n  7 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 10 13  1  0  0  0  0\n 14 13  2  0  0  0  0\n 14 15  1  0  0  0  0\n 16 15  2  0  0  0  0\n 17 16  1  0  0  0  0\n 18 17  2  0  0  0  0\n 19 18  1  0  0  0  0\n 19 20  2  0  0  0  0\n 15 20  1  0  0  0  0\n  9 21  1  0  0  0  0\n  4 22  1  0  0  0  0\n  1 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 23 25  1  0  0  0  0\n 23 26  2  0  0  0  0\nM  CHG  2  25  -1  27   1\nM  END",
        "smiles": "Cc1c(c(n(-c2cc(ccc2Cl)S(=O)(=O)[O-])n1)O)/N=N/c3ccccc3.[Na+]",
        "formula": "C16H12ClN4O4S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "414.8003",
        "optical_activity": "NONE",
        "references": [
          "d5098346-7802-4353-8bb7-67c54f535369",
          "6c58741c-9bba-4850-8832-092bafd4b834"
        ],
        "stereo_centers": 0
      },
      "unii": "63309FUU2Q"
    }
  ]
}