[
  {
    "molid": "mol7900",
    "smiles": "Cc1nc(N(C)C)nc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc(N(C)C)nc2ccccc12",
        "std_free_energy": -6.522711753845215,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1nc([NH+](C)C)nc2ccccc12",
        "std_free_energy": -2.014214038848877,
        "relative_population": 0.32728281009892707
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1nc(N(C)C)[nH+]c2ccccc12",
        "std_free_energy": -1.7649747133255005,
        "relative_population": 0.25508206943070794
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1[nH+]c(N(C)C)nc2ccccc12",
        "std_free_energy": -2.257997512817383,
        "relative_population": 0.417635120470365
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.08,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]