[
  {
    "molid": "mol26634",
    "smiles": "Nc1ccc2cc3cccc(N)c3nc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc2cc3cccc(N)c3nc2c1",
        "std_free_energy": -5.90738582611084,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ccc2cc3cccc([NH3+])c3nc2c1",
        "std_free_energy": -7.282643795013428,
        "relative_population": 0.542709414070399
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1ccc2cc3cccc(N)c3[nH+]c2c1",
        "std_free_energy": -6.852169036865234,
        "relative_population": 0.35286984203810157
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1cccc2cc3ccc([NH3+])cc3nc12",
        "std_free_energy": -5.634498119354248,
        "relative_population": 0.10442074389149951
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]