[
  {
    "molid": "mol8993",
    "smiles": "OCC(O)CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OCC(O)CO",
        "std_free_energy": -7.706104278564453,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]CC(O)CO",
        "std_free_energy": 8.960221290588379,
        "relative_population": 0.28234264140853127
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]C(CO)CO",
        "std_free_energy": 8.027350425720215,
        "relative_population": 0.7176573585914687
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 14.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 14.15,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 14.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 14.1000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]