[
  {
    "molid": "mol10312",
    "smiles": "O=[PH](O)COc1cc(Cl)c(Cl)cc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[P@@H](O)COc1cc(Cl)c(Cl)cc1Cl",
        "std_free_energy": -1.2429823875427246,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[P@@H]([O-])COc1cc(Cl)c(Cl)cc1Cl",
        "std_free_energy": -11.83397102355957,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.94,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 0.939999997615814,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]