pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.07	Datawarrior	1	0	CC[NH+](CC)CC(=O)NCc1ccccc1	CCN(CC)CC(=O)NCc1ccccc1	mol14445	CCN(CC)CC(=O)NCc1ccccc1
8.0699997	OCHEM	1	0	CC[NH+](CC)CC(=O)NCc1ccccc1	CCN(CC)CC(=O)NCc1ccccc1	mol14445	CCN(CC)CC(=O)NCc1ccccc1
8.06999969482422	QSARToolbox	1	0	CC[NH+](CC)CC(=O)NCc1ccccc1	CCN(CC)CC(=O)NCc1ccccc1	mol14445	CCN(CC)CC(=O)NCc1ccccc1