[
  {
    "molid": "mol21298",
    "smiles": "CCCCNC1=Nc2ccccc2C(C)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCNC1=Nc2ccccc2[C@@H](C)N1",
        "std_free_energy": -0.3720799386501312,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCNC1=Nc2ccccc2[C@@H](C)[N-]1",
        "std_free_energy": 11.898514747619629,
        "relative_population": 0.1562197607887416
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCC[N-]C1=Nc2ccccc2[C@@H](C)N1",
        "std_free_energy": 10.211886405944824,
        "relative_population": 0.8437802392112583
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]