[
  {
    "molid": "mol21213",
    "smiles": "O=c1cc(-c2ccc(O)c(O)c2)nc2ccccn12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1cc(-c2ccc(O)c(O)c2)nc2ccccn12",
        "std_free_energy": -7.363064765930176,
        "relative_population": 0.9999821173041518
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1cc(-c2ccc(O)c([O-])c2)nc2ccccn12",
        "std_free_energy": -1.8321447372436523,
        "relative_population": 0.35788665768055017
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=c1cc(-c2ccc([O-])c(O)c2)nc2ccccn12",
        "std_free_energy": -2.4166760444641113,
        "relative_population": 0.642102305165958
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]