[
  {
    "molid": "mol33894",
    "smiles": "CCn1c(C)nc2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCn1c(C)nc2ccccc21",
        "std_free_energy": -4.888484954833984,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCn1c(C)[nH+]c2ccccc21",
        "std_free_energy": -5.39329719543457,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]