pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.98	Datawarrior	1	0	CC[NH+](CC)CC(=O)NC1c2ccccc2-c2ccccc21	CCN(CC)CC(=O)NC1c2ccccc2-c2ccccc21	mol15035	CCN(CC)CC(=O)NC1c2ccccc2-c2ccccc21
7.98000001907349	QSARToolbox	1	0	CC[NH+](CC)CC(=O)NC1c2ccccc2-c2ccccc21	CCN(CC)CC(=O)NC1c2ccccc2-c2ccccc21	mol15035	CCN(CC)CC(=O)NC1c2ccccc2-c2ccccc21