[
  {
    "molid": "mol15807",
    "smiles": "Oc1cccc2c1Nc1ccccc1N2",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Oc1cccc2c1Nc1ccccc1N2",
        "std_free_energy": -8.586098670959473,
        "relative_population": 0.9999988947665526
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cccc2c1Nc1ccccc1N2",
        "std_free_energy": 1.9536128044128418,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.88,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.8800001144409,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]