[
  {
    "molid": "mol1136",
    "smiles": "Oc1ccc([C@@H](O)CNc2ccccc2)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccc([C@@H](O)CNc2ccccc2)cc1O",
        "std_free_energy": -6.79531717300415,
        "relative_population": 0.9999195455474484
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cc([C@@H](O)CNc2ccccc2)ccc1O",
        "std_free_energy": -0.15973538160324097,
        "relative_population": 0.45966283738558267
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1ccc([C@@H](O)CNc2ccccc2)cc1O",
        "std_free_energy": -0.32138878107070923,
        "relative_population": 0.5403119500267858
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]