pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.57	Datawarrior	0	-1	CC[NH+](CC)Cc1cc(Cl)cc(Cl)c1[O-]	CCN(CC)Cc1cc(Cl)cc(Cl)c1[O-]	mol14336	CCN(CC)Cc1cc(Cl)cc(Cl)c1O
5.95	Datawarrior	1	0	CC[NH+](CC)Cc1cc(Cl)cc(Cl)c1O	CC[NH+](CC)Cc1cc(Cl)cc(Cl)c1[O-]	mol14336	CCN(CC)Cc1cc(Cl)cc(Cl)c1O
5.9499998	OCHEM	1	0	CC[NH+](CC)Cc1cc(Cl)cc(Cl)c1O	CC[NH+](CC)Cc1cc(Cl)cc(Cl)c1[O-]	mol14336	CCN(CC)Cc1cc(Cl)cc(Cl)c1O
5.94999980926514	QSARToolbox	1	0	CC[NH+](CC)Cc1cc(Cl)cc(Cl)c1O	CC[NH+](CC)Cc1cc(Cl)cc(Cl)c1[O-]	mol14336	CCN(CC)Cc1cc(Cl)cc(Cl)c1O