[
  {
    "molid": "mol19023",
    "smiles": "Cc1cccc(C)c1CNc1nccc2c(C)c[nH]c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(C)c1CNc1nccc2c(C)c[nH]c12",
        "std_free_energy": -5.077776908874512,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(C)c1CNc1[nH+]ccc2c(C)c[nH]c12",
        "std_free_energy": -7.339297771453857,
        "relative_population": 0.5565798767712385
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccc(C)c1C[NH2+]c1nccc2c(C)c[nH]c12",
        "std_free_energy": -7.11200475692749,
        "relative_population": 0.44342012322876156
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.71,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]