[
  {
    "molid": "mol25433",
    "smiles": "Cc1cccc(-n2nccc2N)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(-n2nccc2N)c1",
        "std_free_energy": -7.290656089782715,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(-n2nccc2[NH3+])c1",
        "std_free_energy": 0.41140294075012207,
        "relative_population": 0.6650273616252864
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccc(-n2[nH+]ccc2N)c1",
        "std_free_energy": 1.097182273864746,
        "relative_population": 0.33497263837471364
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]