[
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    "molid": "mol8965",
    "smiles": "CC(O)(P(=O)(O)O)P(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
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        "relative_population": 1.0
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        "id": "-3_1",
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        "smiles": "CC(O)(P(=O)([O-])[O-])P(=O)([O-])O",
        "std_free_energy": -14.037376403808594,
        "relative_population": 1.0
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        "id": "-1_1",
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        "smiles": "CC(O)(P(=O)([O-])O)P(=O)(O)O",
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        "relative_population": 1.0
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        "id": "-2_1",
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        "smiles": "CC(O)(P(=O)([O-])O)P(=O)([O-])O",
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        "id": "-2_2",
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        "smiles": "CC(O)(P(=O)([O-])[O-])P(=O)(O)O",
        "std_free_energy": -13.024991989135742,
        "relative_population": 0.3106700789246485
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    ],
    "macro_pka_values": [
      {
        "pka_value": 1.35000002384186,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.86999988555908,
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        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.03000020980835,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]