[
  {
    "molid": "mol3024",
    "smiles": "O=c1[nH]c2cc(-c3ccc(F)cc3)ccc2cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1[nH]c2cc(-c3ccc(F)cc3)ccc2cc1O",
        "std_free_energy": -5.667758941650391,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[nH]c2cc(-c3ccc(F)cc3)ccc2cc1[O-]",
        "std_free_energy": -2.53908371925354,
        "relative_population": 0.912460056616076
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[n-]c2cc(-c3ccc(F)cc3)ccc2cc1O",
        "std_free_energy": -0.19503459334373474,
        "relative_population": 0.08753994338392404
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]