[
  {
    "molid": "mol4348",
    "smiles": "Nc1ccnc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccnc2ccccc12",
        "std_free_energy": -4.101509094238281,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1ccnc2ccccc12",
        "std_free_energy": -9.491793632507324,
        "relative_population": 0.4787818146212825
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cc[nH+]c2ccccc12",
        "std_free_energy": -9.576717376708984,
        "relative_population": 0.5212181853787174
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.13,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      },
      {
        "pka_value": 9.13000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.68000030517578,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]