[
  {
    "molid": "mol19022",
    "smiles": "Cc1cccc(C)c1CNc1nccc2cc[nH]c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(C)c1CNc1nccc2cc[nH]c12",
        "std_free_energy": -5.012380599975586,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(C)c1CNc1[nH+]ccc2cc[nH]c12",
        "std_free_energy": -7.016150951385498,
        "relative_population": 0.4810515831844313
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccc(C)c1C[NH2+]c1nccc2cc[nH]c12",
        "std_free_energy": -7.091980934143066,
        "relative_population": 0.5189484168155686
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.63,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]