[
  {
    "molid": "mol31489",
    "smiles": "CC(/C=N/O)=N\\O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(/C=N/[O-])=N\\O",
        "std_free_energy": -0.10820157825946808,
        "relative_population": 0.6247485849626059
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(/C=N/O)=N\\[O-]",
        "std_free_energy": 0.4015514850616455,
        "relative_population": 0.37525141503739406
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(/C=N/[O-])=N\\[O-]",
        "std_free_energy": 14.374858856201172,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.69,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]