[
  {
    "molid": "mol3026",
    "smiles": "O=c1[nH]c2ccc(-c3ccc(F)cc3)cc2cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1[nH]c2ccc(-c3ccc(F)cc3)cc2cc1O",
        "std_free_energy": -5.852743148803711,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[nH]c2ccc(-c3ccc(F)cc3)cc2cc1[O-]",
        "std_free_energy": -2.4208192825317383,
        "relative_population": 0.907604979804242
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[n-]c2ccc(-c3ccc(F)cc3)cc2cc1O",
        "std_free_energy": -0.13608312606811523,
        "relative_population": 0.0923950201957579
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]