[
  {
    "molid": "mol351",
    "smiles": "Cc1cccc(Nc2ccccc2C(=O)O)c1C",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cccc(Nc2ccccc2C(=O)O)c1C",
        "std_free_energy": -5.316713333129883,
        "relative_population": 0.9993481466640868
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc([NH2+]c2ccccc2C(=O)O)c1C",
        "std_free_energy": 9.216135025024414,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      },
      {
        "pka_value": 4.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.221,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.19999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]