[
  {
    "molid": "mol9138",
    "smiles": "OCCCCO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OCCCCO",
        "std_free_energy": -8.232403755187988,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]CCCCO",
        "std_free_energy": 10.427687644958496,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]CCCC[O-]",
        "std_free_energy": 12.869926452636719,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 14.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 15.1,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 15.4,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]