[
  {
    "molid": "mol1921",
    "smiles": "CNC[C@H](O)c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNC[C@H](O)c1ccc(O)cc1",
        "std_free_energy": -3.357489824295044,
        "relative_population": 0.535563277126461
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH2+]C[C@H](O)c1ccc([O-])cc1",
        "std_free_energy": -3.214996099472046,
        "relative_population": 0.464436722873539
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CNC[C@H](O)c1ccc([O-])cc1",
        "std_free_energy": 3.6100172996520996,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]