[
  {
    "molid": "mol20710",
    "smiles": "CCOC(=O)c1cc2cc(F)c(O)c(F)c2oc1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)c1cc2cc(F)c(O)c(F)c2oc1=O",
        "std_free_energy": -2.603097915649414,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)c1cc2cc(F)c([O-])c(F)c2oc1=O",
        "std_free_energy": -5.435746192932129,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]