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        "molfile": "\n  Marvin  01132106352D          \n\n 21 22  0  0  0  0            999 V2000\n    7.1997   -5.1253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6122   -4.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1997   -3.6964    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3747   -3.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9622   -4.4108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3747   -5.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9622   -5.8397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1373   -4.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7247   -3.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8997   -3.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4872   -4.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8997   -5.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7247   -5.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4372   -4.4108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8497   -3.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6466   -3.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1319   -2.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1020   -3.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6122   -5.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1997   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4372   -5.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  1  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  5  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  0  0  0  0\n 10 11  1  0  0  0  0\n 12 11  2  0  0  0  0\n 13 12  1  0  0  0  0\n  8 13  2  0  0  0  0\n  2 14  2  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 15 17  1  0  0  0  0\n 15 18  1  0  0  0  0\n  1 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 19 21  1  0  0  0  0\nM  END",
        "smiles": "CC(C)N1/C(=N/C(C)(C)C)/SCN(c2ccccc2)C1=O",
        "formula": "C16H23N3OS",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "305.44",
        "optical_activity": "NONE",
        "references": [
          "fb7dcf1f-4089-469c-bb92-572e86cb32d8",
          "b8367262-8cb9-471f-bea7-6a0371d497b9"
        ],
        "stereo_centers": 0
      },
      "unii": "3B8KGI239I"
    }
  ]
}