[
  {
    "molid": "mol11332",
    "smiles": "COc1ccc2[nH]c(C(=O)O)cc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2[nH]c(C(=O)O)cc2c1",
        "std_free_energy": -4.080746173858643,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc2[nH]c(C(=O)[O-])cc2c1",
        "std_free_energy": -9.955573081970215,
        "relative_population": 0.9999996652915238
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1ccc2[n-]c(C(=O)[O-])cc2c1",
        "std_free_energy": 7.339590549468994,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.30000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 17.03,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]