[
  {
    "molid": "mol26195",
    "smiles": "C[n+]1ccnc2c(O)cccc21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[n+]1ccnc2c([O-])cccc21",
        "std_free_energy": -4.181459426879883,
        "relative_population": 0.9996440389176847
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1ccnc2c(O)cccc21",
        "std_free_energy": 1.8998606204986572,
        "relative_population": 0.9999075156360152
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.73999977111816,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.74,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]