[
  {
    "molid": "mol26613",
    "smiles": "Cc1ccnc2c1ccc1cccnc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccnc2c1ccc1cccnc12",
        "std_free_energy": -5.4664130210876465,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccnc2c1ccc1ccc[nH+]c12",
        "std_free_energy": -2.7438530921936035,
        "relative_population": 0.49536897074246355
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc[nH+]c2c1ccc1cccnc12",
        "std_free_energy": -2.7623777389526367,
        "relative_population": 0.5046310292575364
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.57,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]