[
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    "molid": "mol37169",
    "smiles": "O=P(O)(O)Cc1cccc(C(F)(F)P(=O)(O)O)c1",
    "microspecies": [
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "O=P([O-])(O)Cc1cccc(C(F)(F)P(=O)([O-])[O-])c1",
        "std_free_energy": -14.169607162475586,
        "relative_population": 0.4865803628941075
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        "id": "-3_5",
        "charge": -3,
        "smiles": "O=P([O-])([O-])Cc1cccc(C(F)(F)P(=O)([O-])O)c1",
        "std_free_energy": -14.223241806030273,
        "relative_population": 0.513390475957186
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      {
        "id": "-2_1",
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        "smiles": "O=P([O-])([O-])Cc1cccc(C(F)(F)P(=O)(O)O)c1",
        "std_free_energy": -11.280817985534668,
        "relative_population": 0.06528243884544127
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        "id": "-2_3",
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        "smiles": "O=P(O)(O)Cc1cccc(C(F)(F)P(=O)([O-])[O-])c1",
        "std_free_energy": -12.56744384765625,
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        "id": "-2_4",
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        "smiles": "O=P([O-])(O)Cc1cccc(C(F)(F)P(=O)([O-])O)c1",
        "std_free_energy": -13.650678634643555,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 5.03999996185303,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.84000015258789,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]