pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.8	IUPAC digitized pKa	1	0	c1ccc([NH2+][C@@H]2CCc3ccccc32)cc1	c1ccc(N[C@@H]2CCc3ccccc32)cc1	mol3520	c1ccc(NC2CCc3ccccc32)cc1
1.79999995231628	QSARToolbox	1	0	c1ccc([NH2+][C@@H]2CCc3ccccc32)cc1	c1ccc(N[C@@H]2CCc3ccccc32)cc1	mol3520	c1ccc(NC2CCc3ccccc32)cc1