[
  {
    "molid": "mol7922",
    "smiles": "Cc1nc(C(F)(F)F)nc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc(C(F)(F)F)nc2ccccc12",
        "std_free_energy": -7.839742660522461,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH+]c(C(F)(F)F)nc2ccccc12",
        "std_free_energy": 8.450488090515137,
        "relative_population": 0.6240465526142482
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1nc(C(F)(F)F)[nH+]c2ccccc12",
        "std_free_energy": 8.957247734069824,
        "relative_population": 0.3759534473857517
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -1.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]