pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.49	IUPAC digitized pKa	1	0	Cc1cccc([NH2+][C@@H]2CCc3ccccc32)c1	Cc1cccc(N[C@@H]2CCc3ccccc32)c1	mol3522	Cc1cccc(NC2CCc3ccccc32)c1
2.49000000953674	QSARToolbox	1	0	Cc1cccc([NH2+][C@@H]2CCc3ccccc32)c1	Cc1cccc(N[C@@H]2CCc3ccccc32)c1	mol3522	Cc1cccc(NC2CCc3ccccc32)c1