[
  {
    "molid": "mol12996",
    "smiles": "Cc1cccnc1/C=N/O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cccnc1/C=N/O",
        "std_free_energy": -7.684063911437988,
        "relative_population": 0.9992455818288889
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cccnc1/C=N/[O-]",
        "std_free_energy": 1.4570631980895996,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]