[
  {
    "molid": "mol12404",
    "smiles": "[O-][n+]1cccc(O)c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-][n+]1cccc(O)c1",
        "std_free_energy": -4.893579006195068,
        "relative_population": 0.999836274949108
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc[n+]([O-])c1",
        "std_free_energy": -5.047939300537109,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.4000001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.416666667,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]