[
  {
    "molid": "mol2274",
    "smiles": "C[C@H]1CN=C(N)c2sccc2O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1CN=C(N)c2sccc2O1",
        "std_free_energy": -2.7288360595703125,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H]1CN=C([NH-])c2sccc2O1",
        "std_free_energy": 12.085160255432129,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]