[
  {
    "molid": "mol13170",
    "smiles": "Oc1cccc2[nH]ncc12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1cccc2[nH]ncc12",
        "std_free_energy": -6.588211536407471,
        "relative_population": 0.9999991393775532
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cccc2[nH]ncc12",
        "std_free_energy": -1.646199345588684,
        "relative_population": 0.9992527686606435
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.65,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.6499996,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.64999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]