[
  {
    "molid": "mol34334",
    "smiles": "CCCCP(=O)(CCCC)C(C)(O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCP(=O)(CCCC)[C@@](C)(O)c1ccccc1",
        "std_free_energy": -7.087396144866943,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCP(=O)(CCCC)[C@@](C)([O-])c1ccccc1",
        "std_free_energy": 6.709266662597656,
        "relative_population": 0.5257038777688847
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      {
        "id": "-1_2",
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        "smiles": "CCC[CH-]P(=O)(CCCC)[C@@](C)(O)c1ccccc1",
        "std_free_energy": 6.812172889709473,
        "relative_population": 0.47429612223111517
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    ],
    "macro_pka_values": [
      {
        "pka_value": 13.3999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 13.3699998855591,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]