[
  {
    "molid": "mol1383",
    "smiles": "Oc1c(Cl)ccc2cccnc12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1c(Cl)ccc2cccnc12",
        "std_free_energy": -5.919705390930176,
        "relative_population": 0.9728638892373406
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1c(Cl)ccc2ccc[nH+]c12",
        "std_free_energy": 0.8577144145965576,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1c(Cl)ccc2cccnc12",
        "std_free_energy": -1.7255711555480957,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      },
      {
        "pka_value": 7.69999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 4.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]