[
  {
    "molid": "mol2421",
    "smiles": "[H]/N=C(\\c1ccccc1)c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(c1ccccc1)c1ccc(O)cc1",
        "std_free_energy": -3.8710312843322754,
        "relative_population": 0.289543001606396
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[H]/N=C(\\c1ccccc1)c1ccc(O)cc1",
        "std_free_energy": -3.871032238006592,
        "relative_population": 0.2895432777362518
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[NH2+]=C(c1ccccc1)c1ccc([O-])cc1",
        "std_free_energy": -4.245155334472656,
        "relative_population": 0.4209137206573522
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH2+]=C(c1ccccc1)c1ccc(O)cc1",
        "std_free_energy": -4.7263078689575195,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.45,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]