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        "id": "1e6d3e01-7740-4d34-8a88-cf28039b53d0",
        "molfile": "\n  Marvin  01132101452D          \n\n 25 27  0  0  0  0            999 V2000\n   11.7549   -5.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7858   -3.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6182   -4.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8983   -4.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5299   -2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0351   -4.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.1063   -4.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7549   -5.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0351   -6.3913    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7858   -3.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4559   -4.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3381   -3.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5299   -1.7487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1785   -5.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0470   -2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4559   -6.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.3036   -2.9943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3381   -3.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3368   -5.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1785   -5.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3368   -5.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4905   -4.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6337   -4.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.2824   -2.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.1882   -3.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2 15  2  0  0  0  0\n  3  4  3  0  0  0  0\n  4 14  1  0  0  0  0\n  5  2  1  0  0  0  0\n  6  1  1  0  0  0  0\n  7 12  1  0  0  0  0\n  8  1  2  0  0  0  0\n  9  8  1  0  0  0  0\n 10  7  2  0  0  0  0\n 11  1  1  0  0  0  0\n 12  3  1  0  0  0  0\n 13  5  2  0  0  0  0\n 14 11  2  0  0  0  0\n 15 18  1  0  0  0  0\n 16  8  1  0  0  0  0\n 17  5  1  0  0  0  0\n 18 12  2  0  0  0  0\n 19  9  1  0  0  0  0\n 20 14  1  0  0  0  0\n 21  6  1  0  0  0  0\n 22  6  1  0  0  0  0\n 23  6  1  0  0  0  0\n 24 17  1  0  0  0  0\n 25 24  1  0  0  0  0\n 19 21  1  0  0  0  0\n 16 20  2  0  0  0  0\n  2 10  1  0  0  0  0\nM  END",
        "smiles": "CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1",
        "formula": "C21H21NO2S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "351.4638",
        "optical_activity": "NONE",
        "references": [
          "7540d8cd-1504-4ef2-a1e9-8367762e4b21",
          "abf1cfb8-ae2c-47b0-86ee-7ed6f2990e4b",
          "8b68d121-ab43-4d20-8d1f-f4a476bf6772"
        ],
        "stereo_centers": 0
      },
      "unii": "81BDR9Y8PS"
    }
  ]
}