[
  {
    "molid": "mol6434",
    "smiles": "Oc1cc(Cl)nc(Cl)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1cc(Cl)nc(Cl)c1",
        "std_free_energy": -5.909581184387207,
        "relative_population": 0.9999700388865135
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1cc(Cl)[nH+]c(Cl)c1",
        "std_free_energy": 8.654882431030273,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cc(Cl)nc(Cl)c1",
        "std_free_energy": -4.237222671508789,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": -1.14999997615814,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]