[
  {
    "molid": "mol25415",
    "smiles": "CC(C)(C)c1n[nH]cc1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)c1n[nH]cc1[N+](=O)[O-]",
        "std_free_energy": -6.814798831939697,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)c1n[n-]cc1[N+](=O)[O-]",
        "std_free_energy": 0.23877888917922974,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.27,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]