[
  {
    "molid": "mol31870",
    "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": -3.337911605834961,
        "relative_population": 0.5257365141302014
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH2+]C[C@@H](O)c1ccc([O-])cc1",
        "std_free_energy": -3.2348744869232178,
        "relative_population": 0.47426348586979866
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CNC[C@@H](O)c1ccc([O-])cc1",
        "std_free_energy": 3.610018014907837,
        "relative_population": 0.997079223931292
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]