pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.87	IUPAC digitized pKa	1	0	C[NH+]1CCC[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21	CN1CCC[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21	mol5201	CN1CCC[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
8.85	AttenGpKa training set	1	0	C[NH+]1CCC[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21	CN1CCC[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21	mol5201	CN1CCC[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21