[
  {
    "molid": "mol10987",
    "smiles": "Nc1ccc(O)c(/C=C\\C(=O)O)c1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[NH3+]c1ccc(O)c(/C=C\\C(=O)[O-])c1",
        "std_free_energy": -6.8859968185424805,
        "relative_population": 0.9812728571471875
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1ccc(O)c(/C=C\\C(=O)O)c1",
        "std_free_energy": 1.3017446994781494,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.49,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]