pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	Datawarrior	1	0	CC[NH+](CC)CC(=O)Nc1c(C)cc(C)cc1C	CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C	mol14868	CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C
7.9000001	OCHEM	1	0	CC[NH+](CC)CC(=O)Nc1c(C)cc(C)cc1C	CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C	mol14868	CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C
8.05000019073486	QSARToolbox	1	0	CC[NH+](CC)CC(=O)Nc1c(C)cc(C)cc1C	CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C	mol14868	CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C