[
  {
    "molid": "mol3029",
    "smiles": "O=c1cc(CSc2cccc(F)c2F)nc2cc[nH]n12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1cc(CSc2cccc(F)c2F)nc2cc[nH]n12",
        "std_free_energy": -6.278382778167725,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1cc(CSc2cccc(F)c2F)nc2cc[n-]n12",
        "std_free_energy": -2.9008474349975586,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]