[
  {
    "molid": "mol29497",
    "smiles": "C[n+]1ccc(N)nc1O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C[n+]1ccc(N)nc1[O-]",
        "std_free_energy": -5.765659332275391,
        "relative_population": 0.9999598651216746
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1ccc(N)nc1O",
        "std_free_energy": -1.496544361114502,
        "relative_population": 0.9800684638818976
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.55,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]