[
  {
    "molid": "mol14764",
    "smiles": "CN(C)c1ccc(C(=N)c2ccc(N(C)C)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc(C(=N)c2ccc(N(C)C)cc2)cc1",
        "std_free_energy": -1.4526827335357666,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1ccc(C(=[NH2+])c2ccc(N(C)C)cc2)cc1",
        "std_free_energy": -11.272933006286621,
        "relative_population": 0.9460502948697447
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1ccc(C(=N)c2ccc([NH+](C)C)cc2)cc1",
        "std_free_energy": -8.408689498901367,
        "relative_population": 0.053949705130255224
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.71,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.710000038147,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]