[
  {
    "molid": "mol16663",
    "smiles": "Cc1ccccc1CC(=O)c1ccc(O)c(CN(C)C)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccccc1CC(=O)c1ccc([O-])c(C[NH+](C)C)c1O",
        "std_free_energy": -5.722439289093018,
        "relative_population": 0.7230597172686551
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccccc1CC(=O)c1ccc(O)c(CN(C)C)c1O",
        "std_free_energy": -3.93997859954834,
        "relative_population": 0.12163577465167508
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1ccccc1CC(=O)c1ccc(O)c(C[NH+](C)C)c1[O-]",
        "std_free_energy": -4.184335231781006,
        "relative_population": 0.15530450807966967
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccccc1CC(=O)c1ccc(O)c(CN(C)C)c1[O-]",
        "std_free_energy": 2.9797544479370117,
        "relative_population": 0.1388417153636177
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1ccccc1CC(=O)c1ccc([O-])c(CN(C)C)c1O",
        "std_free_energy": 1.1755112409591675,
        "relative_population": 0.843515057348367
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.74,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]