[
  {
    "molid": "mol21212",
    "smiles": "O=c1cc(-c2ccc(O)cc2)nc2ccccn12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=c1cc(-c2ccc(O)cc2)nc2ccccn12",
        "std_free_energy": -6.989672660827637,
        "relative_population": 0.9999913394155153
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1cc(-c2ccc([O-])cc2)nc2ccccn12",
        "std_free_energy": -2.017465114593506,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]