pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.12	Datawarrior	1	0	C=C(C)C(=O)OCC[NH2+]CCCC	C=C(C)C(=O)OCCNCCCC	mol13695	C=C(C)C(=O)OCCNCCCC
9.1199999	OCHEM	1	0	C=C(C)C(=O)OCC[NH2+]CCCC	C=C(C)C(=O)OCCNCCCC	mol13695	C=C(C)C(=O)OCCNCCCC
9.11999988555908	QSARToolbox	1	0	C=C(C)C(=O)OCC[NH2+]CCCC	C=C(C)C(=O)OCCNCCCC	mol13695	C=C(C)C(=O)OCCNCCCC