[
  {
    "molid": "mol25438",
    "smiles": "Cc1ccc(-n2ccc(N)n2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(-n2ccc(N)n2)cc1",
        "std_free_energy": -7.3894734382629395,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(-n2ccc(N)[nH+]2)cc1",
        "std_free_energy": 0.9196637868881226,
        "relative_population": 0.4274202303498754
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(-n2ccc([NH3+])n2)cc1",
        "std_free_energy": 0.6272794008255005,
        "relative_population": 0.5725797696501246
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.69,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]