[
  {
    "molid": "mol35896",
    "smiles": "CCOP(=O)(O)CCC(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCO[P@](=O)(O)CCC(C)C",
        "std_free_energy": -2.6962080001831055,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCO[P@](=O)([O-])CCC(C)C",
        "std_free_energy": -10.754378318786621,
        "relative_population": 0.9999998787698341
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.97000002861023,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]