[
  {
    "molid": "mol26624",
    "smiles": "Cc1ccc2c(N)c3ccccc3nc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc2c(N)c3ccccc3nc2c1",
        "std_free_energy": -3.812849521636963,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc2c([NH3+])c3ccccc3nc2c1",
        "std_free_energy": -12.110088348388672,
        "relative_population": 0.47071165850664615
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc2c(N)c3ccccc3[nH+]c2c1",
        "std_free_energy": -12.227375984191895,
        "relative_population": 0.5292883414933539
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]