[
  {
    "molid": "mol17945",
    "smiles": "Oc1c2cc(F)ccc2nc2sc(Cl)nc12",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Oc1c2cc(F)ccc2nc2sc(Cl)nc12",
        "std_free_energy": -6.08342981338501,
        "relative_population": 0.9999997141827505
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1c2cc(F)ccc2nc2sc(Cl)nc12",
        "std_free_energy": -3.603854179382324,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]