pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.81	Datawarrior	1	0	COCC[NH+](C)c1ccccc1	COCCN(C)c1ccccc1	mol12676	COCCN(C)c1ccccc1
4.8099999	OCHEM	1	0	COCC[NH+](C)c1ccccc1	COCCN(C)c1ccccc1	mol12676	COCCN(C)c1ccccc1
4.80999994277954	QSARToolbox	1	0	COCC[NH+](C)c1ccccc1	COCCN(C)c1ccccc1	mol12676	COCCN(C)c1ccccc1