[
  {
    "molid": "mol34332",
    "smiles": "CCCCP(=O)(CCCC)C(O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCP(=O)(CCCC)[C@@H](O)c1ccccc1",
        "std_free_energy": -7.386855125427246,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCP(=O)(CCCC)[C-](O)c1ccccc1",
        "std_free_energy": 4.595415115356445,
        "relative_population": 0.8006313617343102
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      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCC[CH-]P(=O)(CCCC)[C@@H](O)c1ccccc1",
        "std_free_energy": 6.4695634841918945,
        "relative_population": 0.12288540442360313
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      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CCCCP(=O)(CCCC)[C@@H]([O-])c1ccccc1",
        "std_free_energy": 6.94374418258667,
        "relative_population": 0.0764832338420867
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    ],
    "macro_pka_values": [
      {
        "pka_value": 13.3000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 13.3400001525879,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]