[
  {
    "molid": "mol32836",
    "smiles": "Nc1ccc2nc(C(F)(F)F)[nH]c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc2nc(C(F)(F)F)[nH]c2c1",
        "std_free_energy": -6.707347869873047,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1ccc2nc(C(F)(F)F)[nH]c2c1",
        "std_free_energy": 1.9659231901168823,
        "relative_population": 0.6292869846394635
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1ccc2[nH+]c(C(F)(F)F)[nH]c2c1",
        "std_free_energy": 2.495082378387451,
        "relative_population": 0.37071301536053636
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]