[
  {
    "molid": "mol3028",
    "smiles": "O=c1cc(CSc2cccc(F)c2F)nc2cc(-c3ccco3)[nH]n12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1cc(CSc2cccc(F)c2F)nc2cc(-c3ccco3)[nH]n12",
        "std_free_energy": -5.443291664123535,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1cc(CSc2cccc(F)c2F)nc2cc(-c3ccco3)[n-]n12",
        "std_free_energy": -4.640677452087402,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]