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        "molfile": "\n  Marvin  01132110162D          \n\n 23 23  0  0  0  0            999 V2000\n    7.2086   -5.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7961   -4.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2086   -4.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0336   -4.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4461   -4.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0336   -5.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2710   -4.7234    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4845   -5.5203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0834   -4.5801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1991   -3.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7961   -3.2944    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    5.9711   -3.2944    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.2086   -2.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9711   -4.7234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5587   -4.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7337   -4.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3212   -3.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5587   -5.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7337   -5.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3212   -6.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7961   -6.1523    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    5.9711   -6.1523    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.2086   -6.8667    0.0000 O   0  0  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  7  8  2  0  0  0  0\n  7  9  1  0  0  0  0\n  7 10  2  0  0  0  0\n  3 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 11 13  2  0  0  0  0\n  2 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 14 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n  1 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 21 23  2  0  0  0  0\nM  CHG  4  11   1  12  -1  21   1  22  -1\nM  END",
        "smiles": "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]",
        "formula": "C12H18N4O6S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "346.3611",
        "optical_activity": "NONE",
        "references": [
          "06b1775d-a0a6-4eef-b787-2c6d1a8ae673",
          "e27a9a02-8e1a-4c42-82b6-26b0df26538f"
        ],
        "stereo_centers": 0
      },
      "unii": "662E385DWH"
    }
  ]
}