pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.95	Datawarrior	0	-1	[NH3+]CC/C=C/C(=O)[O-]	NCC/C=C/C(=O)[O-]	mol12495	NCC/C=C/C(=O)O
3.83	Datawarrior	1	0	[NH3+]CC/C=C/C(=O)O	[NH3+]CC/C=C/C(=O)[O-]	mol12495	NCC/C=C/C(=O)O
3.82999992370605	QSARToolbox	1	0	[NH3+]CC/C=C/C(=O)O	[NH3+]CC/C=C/C(=O)[O-]	mol12495	NCC/C=C/C(=O)O