[
  {
    "molid": "mol35419",
    "smiles": "CCCCP(=O)(CCCC)C(O)(c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCP(=O)(CCCC)C(O)(c1ccccc1)c1ccccc1",
        "std_free_energy": -6.423427581787109,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCP(=O)(CCCC)C([O-])(c1ccccc1)c1ccccc1",
        "std_free_energy": 3.1437013149261475,
        "relative_population": 0.9635953520205202
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.3999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]