[
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    "molid": "mol37167",
    "smiles": "O=P(O)(O)Cc1ccc(C(F)(F)P(=O)(O)O)cc1",
    "microspecies": [
      {
        "id": "-3_3",
        "charge": -3,
        "smiles": "O=P([O-])(O)Cc1ccc(C(F)(F)P(=O)([O-])[O-])cc1",
        "std_free_energy": -14.204520225524902,
        "relative_population": 0.49121176439088576
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      {
        "id": "-3_5",
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        "smiles": "O=P([O-])([O-])Cc1ccc(C(F)(F)P(=O)([O-])O)cc1",
        "std_free_energy": -14.239519119262695,
        "relative_population": 0.5087080216326683
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      {
        "id": "-2_1",
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        "smiles": "O=P([O-])([O-])Cc1ccc(C(F)(F)P(=O)(O)O)cc1",
        "std_free_energy": -10.943133354187012,
        "relative_population": 0.054886665036638374
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        "id": "-2_4",
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        "smiles": "O=P([O-])(O)Cc1ccc(C(F)(F)P(=O)([O-])O)cc1",
        "std_free_energy": -13.730384826660156,
        "relative_population": 0.8911581384711141
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        "id": "-2_5",
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        "smiles": "O=P(O)(O)Cc1ccc(C(F)(F)P(=O)([O-])[O-])cc1",
        "std_free_energy": -10.907939910888672,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 5.26999998092651,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.63000011444092,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]