[
  {
    "molid": "mol31582",
    "smiles": "C/C(=N/O)c1ccc(N(C)C)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(=N/O)c1ccc(N(C)C)cc1",
        "std_free_energy": -6.745211124420166,
        "relative_population": 0.9999959055214797
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C/C(=N/[O-])c1ccc(N(C)C)cc1",
        "std_free_energy": 5.506967544555664,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]