pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.12	Datawarrior	1	0	[NH3+]CC(=O)Nc1ccccc1	NCC(=O)Nc1ccccc1	mol14171	NCC(=O)Nc1ccccc1
8.1199999	OCHEM	1	0	[NH3+]CC(=O)Nc1ccccc1	NCC(=O)Nc1ccccc1	mol14171	NCC(=O)Nc1ccccc1
8.52999973297119	QSARToolbox	1	0	[NH3+]CC(=O)Nc1ccccc1	NCC(=O)Nc1ccccc1	mol14171	NCC(=O)Nc1ccccc1
6.28000020980835	QSARToolbox	1	0	[NH3+]CC(=O)Nc1ccccc1	NCC(=O)Nc1ccccc1	mol14171	NCC(=O)Nc1ccccc1