[
  {
    "molid": "mol25445",
    "smiles": "Oc1ccc(-c2c[nH]cn2)c(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccc(-c2c[nH]cn2)c(O)c1",
        "std_free_energy": -5.412285327911377,
        "relative_population": 0.7839519586689135
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-]c1ccc(-c2c[nH]c[nH+]2)c(O)c1",
        "std_free_energy": -3.3789520263671875,
        "relative_population": 0.10261811121488994
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[O-]c1cc(O)ccc1-c1c[nH]c[nH+]1",
        "std_free_energy": -3.4791228771209717,
        "relative_population": 0.11342993011619644
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1ccc(-c2c[nH]c[nH+]2)c(O)c1",
        "std_free_energy": -5.41089391708374,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.45,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]