[
  {
    "molid": "mol26652",
    "smiles": "Cc1cc(C)c2nc3ccccc3c(N)c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C)c2nc3ccccc3c(N)c2c1",
        "std_free_energy": -3.3787429332733154,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(C)c2[nH+]c3ccccc3c(N)c2c1",
        "std_free_energy": -12.134132385253906,
        "relative_population": 0.6299297994029649
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(C)c2nc3ccccc3c([NH3+])c2c1",
        "std_free_energy": -11.602216720581055,
        "relative_population": 0.37007020059703516
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]