[
  {
    "molid": "mol17176",
    "smiles": "N#Cc1c(O)nc(SCc2cccc(F)c2F)nc1C1CC1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "N#Cc1c(O)nc(SCc2cccc(F)c2F)nc1C1CC1",
        "std_free_energy": -5.845271587371826,
        "relative_population": 0.9999992286290301
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#Cc1c([O-])nc(SCc2cccc(F)c2F)nc1C1CC1",
        "std_free_energy": -4.664126396179199,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]