[
  {
    "molid": "mol10210",
    "smiles": "NCc1cccc(O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]Cc1cccc([O-])c1O",
        "std_free_energy": -4.088915824890137,
        "relative_population": 0.29942891528225113
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NCc1cccc(O)c1O",
        "std_free_energy": -3.658074378967285,
        "relative_population": 0.19461740367647276
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[NH3+]Cc1cccc(O)c1[O-]",
        "std_free_energy": -4.613483905792236,
        "relative_population": 0.505953681041276
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]Cc1cccc(O)c1O",
        "std_free_energy": -9.630245208740234,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.3000002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]