pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.87	Datawarrior	1	0	Cc1ccc(OC(=O)CCCC[NH+](C)C)cc1	Cc1ccc(OC(=O)CCCCN(C)C)cc1	mol15257	Cc1ccc(OC(=O)CCCCN(C)C)cc1
9.8699999	OCHEM	1	0	Cc1ccc(OC(=O)CCCC[NH+](C)C)cc1	Cc1ccc(OC(=O)CCCCN(C)C)cc1	mol15257	Cc1ccc(OC(=O)CCCCN(C)C)cc1
9.86999988555908	QSARToolbox	1	0	Cc1ccc(OC(=O)CCCC[NH+](C)C)cc1	Cc1ccc(OC(=O)CCCCN(C)C)cc1	mol15257	Cc1ccc(OC(=O)CCCCN(C)C)cc1