[
  {
    "molid": "mol7909",
    "smiles": "Fc1ccc2cncnc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Fc1ccc2cncnc2c1",
        "std_free_energy": -7.025321960449219,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Fc1ccc2cnc[nH+]c2c1",
        "std_free_energy": 1.288372278213501,
        "relative_population": 0.5365160877473187
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Fc1ccc2c[nH+]cnc2c1",
        "std_free_energy": 1.434697151184082,
        "relative_population": 0.4634839122526812
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.09999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]