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        "molfile": "\n  Marvin  01132110222D          \n\n 26 28  0  0  0  0            999 V2000\n    3.0329   -2.3412    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5967   -2.9390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4006   -2.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9722   -3.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4587   -1.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7373   -4.1291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4352   -2.9155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6280   -1.7723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7735   -3.1504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6548   -1.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6936   -0.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3037   -4.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4625   -5.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3181   -0.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1168   -0.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0910   -1.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1024   -4.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0740   -5.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6792   -5.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6404   -6.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6355   -1.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1177   -6.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0049    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0006   -2.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4368   -1.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  2  0  0  0  0\n  5  1  1  0  0  0  0\n  6  4  1  0  0  0  0\n  7  1  2  0  0  0  0\n  8  1  2  0  0  0  0\n  9  4  1  0  0  0  0\n 10  5  1  0  0  0  0\n 11  5  2  0  0  0  0\n 12  6  1  0  0  0  0\n 13 20  2  0  0  0  0\n 14 15  2  0  0  0  0\n 15 11  1  0  0  0  0\n 16 10  2  0  0  0  0\n 17 12  1  0  0  0  0\n 18 12  2  0  0  0  0\n 19 17  2  0  0  0  0\n 20 18  1  0  0  0  0\n 21  3  1  0  0  0  0\n 22 13  1  0  0  0  0\n 23 14  1  0  0  0  0\n 24 26  1  0  0  0  0\n 25 23  1  0  0  0  0\n 26 21  2  0  0  0  0\n 14 16  1  0  0  0  0\n 24  9  2  0  0  0  0\n 13 19  1  0  0  0  0\nM  END",
        "smiles": "COc1ccc(cc1)S(=O)(=O)Nc2cccnc2Nc3ccc(cc3)O",
        "formula": "C18H17N3O4S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "371.4121",
        "optical_activity": "NONE",
        "references": [
          "fad08af1-8f44-4f5c-99ab-e8410e92cc5b",
          "e52a18c0-376d-4767-b853-e4f93d8db816"
        ],
        "stereo_centers": 0
      },
      "unii": "WDT5V5OB9F"
    }
  ]
}