[
  {
    "molid": "mol17291",
    "smiles": "O=C(c1cccc(O)c1)c1cccc(-c2ccc(O)c(F)c2)n1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(c1cccc([O-])c1)c1cccc(-c2ccc(O)c(F)c2)n1",
        "std_free_energy": -2.50079083442688,
        "relative_population": 0.3237687905623737
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(c1cccc(O)c1)c1cccc(-c2ccc([O-])c(F)c2)n1",
        "std_free_energy": -3.2372703552246094,
        "relative_population": 0.6762137149630731
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C(c1cccc([O-])c1)c1cccc(-c2ccc([O-])c(F)c2)n1",
        "std_free_energy": 6.688658714294434,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]