[
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    "molid": "mol34328",
    "smiles": "CCCCP(=O)(CCCC)C(O)CC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCP(=O)(CCCC)[C@@H](O)CC",
        "std_free_energy": -6.884193420410156,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
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        "smiles": "CCCCP(=O)(CCCC)[C@@H]([O-])CC",
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        "id": "-1_2",
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        "smiles": "CCC[CH-]P(=O)(CCCC)[C@@H](O)CC",
        "std_free_energy": 6.121727466583252,
        "relative_population": 0.3531825250088936
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      {
        "id": "-1_3",
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        "smiles": "CCCCP(=O)(CCCC)[C-](O)CC",
        "std_free_energy": 5.598863124847412,
        "relative_population": 0.5957668105569488
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    ],
    "macro_pka_values": [
      {
        "pka_value": 13.1999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 13.1700000762939,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]