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        "molfile": "\n  Marvin  01132105172D          \n\n 20 20  0  0  0  0            999 V2000\n    8.5679   -4.1254    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7360   -4.1252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9116   -4.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5149   -3.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6866   -3.3992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2642   -4.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6609   -4.8435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4846   -4.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4399   -4.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4399   -4.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6162   -4.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4399   -3.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5679   -3.2934    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5679   -4.9620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2790   -5.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9901   -4.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2790   -6.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4045   -4.1254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8228   -3.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6547   -3.4190    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  4  1  0  0  0  0\n  6  5  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  3  1  0  0  0  0\n  9  6  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11  9  1  0  0  0  0\n 12  9  1  0  0  0  0\n 13  1  2  0  0  0  0\n 14  1  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 15  1  0  0  0  0\n 18  1  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  1  0  0  0  0\nM  END",
        "smiles": "CCOP(=S)(OC(C)C)Oc1cnc(C(C)(C)C)nc1",
        "formula": "C13H23N2O3PS",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "318.3737",
        "optical_activity": "( + / - )",
        "references": [
          "d99ba93a-622c-4207-aafe-47d8fb2e830f",
          "d233f86e-7129-4ee1-a670-cb1466d8094e"
        ],
        "stereo_centers": 0
      },
      "unii": "P036T39NSI"
    }
  ]
}