[
  {
    "molid": "mol10205",
    "smiles": "NCc1cccc(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCc1cccc(O)c1",
        "std_free_energy": -2.9632327556610107,
        "relative_population": 0.5415028450032268
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]Cc1cccc([O-])c1",
        "std_free_energy": -2.7968385219573975,
        "relative_population": 0.4584971549967734
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]Cc1cccc(O)c1",
        "std_free_energy": -9.507946014404297,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.06,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.0600004,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.0600004196167,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]