[
  {
    "molid": "mol13169",
    "smiles": "Oc1ccc2[nH]cnc2c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1ccc2[nH]cnc2c1",
        "std_free_energy": -6.262927532196045,
        "relative_population": 0.9978631483428527
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1ccc2[nH]c[nH+]c2c1",
        "std_free_energy": -4.442128658294678,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc2[nH]cnc2c1",
        "std_free_energy": 1.8157941102981567,
        "relative_population": 0.9913441020231013
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.01,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.69,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.6900001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]