[
  {
    "molid": "mol20744",
    "smiles": "O=c1[nH]c2ccc(F)c(Cl)c2cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1[nH]c2ccc(F)c(Cl)c2cc1O",
        "std_free_energy": -5.1558027267456055,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[nH]c2ccc(F)c(Cl)c2cc1[O-]",
        "std_free_energy": -3.34014630317688,
        "relative_population": 0.9540560671446976
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.33,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]