pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.59	Datawarrior	1	0	Cc1ccccc1/C=C/c1ccc([NH+](C)C)cc1	Cc1ccccc1/C=C/c1ccc(N(C)C)cc1	mol2111	Cc1ccccc1/C=C/c1ccc(N(C)C)cc1
4.67	Hunt	1	0	Cc1ccccc1/C=C/c1ccc([NH+](C)C)cc1	Cc1ccccc1/C=C/c1ccc(N(C)C)cc1	mol2111	Cc1ccccc1/C=C/c1ccc(N(C)C)cc1
4.59000015258789	QSARToolbox	1	0	Cc1ccccc1/C=C/c1ccc([NH+](C)C)cc1	Cc1ccccc1/C=C/c1ccc(N(C)C)cc1	mol2111	Cc1ccccc1/C=C/c1ccc(N(C)C)cc1