[
  {
    "molid": "mol30542",
    "smiles": "Cc1cc(O)c(O)c(C)c1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(O)c([O-])c(C)c1O",
        "std_free_energy": -0.036976732313632965,
        "relative_population": 0.42558107085046143
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc([O-])c(O)c(C)c1O",
        "std_free_energy": 0.17006751894950867,
        "relative_population": 0.34599046241042136
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1cc(O)c(O)c(C)c1[O-]",
        "std_free_energy": 0.5852556228637695,
        "relative_population": 0.22842846673911715
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc([O-])c([O-])c(C)c1O",
        "std_free_energy": 11.329976081848145,
        "relative_population": 0.5560460591631152
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "Cc1cc([O-])c(O)c(C)c1[O-]",
        "std_free_energy": 11.980353355407715,
        "relative_population": 0.29017200199316845
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "Cc1cc(O)c([O-])c(C)c1[O-]",
        "std_free_energy": 12.615291595458984,
        "relative_population": 0.15378193884371633
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]