[
  {
    "molid": "mol8389",
    "smiles": "Cc1cccc2c(N)nc3ccccc3c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc2c(N)nc3ccccc3c12",
        "std_free_energy": -4.8965606689453125,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc2c([NH3+])nc3ccccc3c12",
        "std_free_energy": -4.376423358917236,
        "relative_population": 0.2515314311859872
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccc2c(N)[nH+]c3ccccc3c12",
        "std_free_energy": -5.466884613037109,
        "relative_population": 0.7484685688140127
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.51,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.51000022888184,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]