[
  {
    "molid": "mol21691",
    "smiles": "Oc1cc(O)n2nccc2n1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "Oc1cc(O)n2nccc2n1",
        "std_free_energy": -7.1065144538879395,
        "relative_population": 0.999998715049837
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1cc(O)n2nccc2n1",
        "std_free_energy": -3.5851128101348877,
        "relative_population": 0.5173896302698009
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[O-]c1cc(O)nc2ccnn12",
        "std_free_energy": -3.515456438064575,
        "relative_population": 0.4825766920885018
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]