[
  {
    "molid": "mol6465",
    "smiles": "Oc1cccnc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1cccnc1O",
        "std_free_energy": -7.3031721115112305,
        "relative_population": 0.9998522297472996
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1ccc[nH+]c1O",
        "std_free_energy": 4.293789386749268,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1cccnc1O",
        "std_free_energy": -2.861306667327881,
        "relative_population": 0.9796603888446416
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1cccnc1[O-]",
        "std_free_energy": 9.86151123046875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.62,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.26000022888184,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 0.219999998807907,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.7200002670288,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]