[
  {
    "molid": "mol25589",
    "smiles": "COc1ccc(Nc2[nH]nnc2-c2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(Nc2[nH]nnc2-c2ccccc2)cc1",
        "std_free_energy": -6.679861545562744,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(Nc2[n-]nnc2-c2ccccc2)cc1",
        "std_free_energy": -2.869561195373535,
        "relative_population": 0.996595271934192
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.91,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]