pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.53	Datawarrior	1	0	Cc1ccc(OC(=O)CCC[NH+](C)C)cc1	Cc1ccc(OC(=O)CCCN(C)C)cc1	mol14463	Cc1ccc(OC(=O)CCCN(C)C)cc1
9.5299997	OCHEM	1	0	Cc1ccc(OC(=O)CCC[NH+](C)C)cc1	Cc1ccc(OC(=O)CCCN(C)C)cc1	mol14463	Cc1ccc(OC(=O)CCCN(C)C)cc1
9.52999973297119	QSARToolbox	1	0	Cc1ccc(OC(=O)CCC[NH+](C)C)cc1	Cc1ccc(OC(=O)CCCN(C)C)cc1	mol14463	Cc1ccc(OC(=O)CCCN(C)C)cc1