pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.13	Datawarrior	1	0	C=C(C)C(=O)OCC[NH2+]C(C)C	C=C(C)C(=O)OCCNC(C)C	mol12884	C=C(C)C(=O)OCCNC(C)C
9.1300001	OCHEM	1	0	C=C(C)C(=O)OCC[NH2+]C(C)C	C=C(C)C(=O)OCCNC(C)C	mol12884	C=C(C)C(=O)OCCNC(C)C
9.13000011444092	QSARToolbox	1	0	C=C(C)C(=O)OCC[NH2+]C(C)C	C=C(C)C(=O)OCCNC(C)C	mol12884	C=C(C)C(=O)OCCNC(C)C