[
  {
    "molid": "mol37852",
    "smiles": "CC[N+](C)(CC)CCCNc1ccnc2ccccc12",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[N+](C)(CC)CCCNc1ccnc2ccccc12",
        "std_free_energy": -7.175991058349609,
        "relative_population": 1.0
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "CC[N+](C)(CC)CCCNc1cc[nH+]c2ccccc12",
        "std_free_energy": -13.444684028625488,
        "relative_population": 0.9531898410581273
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.55000019073486,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]