pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.6	Baltruschat ChEMBL	1	0	O=[P@](O)(NCCCl)OCCC[NH2+]CCCl	O=[P@]([O-])(NCCCl)OCCC[NH2+]CCCl	mol21412	O=P(O)(NCCCl)OCCCNCCCl
1.60000002384186	QSARToolbox	1	0	O=[P@](O)(NCCCl)OCCC[NH2+]CCCl	O=[P@]([O-])(NCCCl)OCCC[NH2+]CCCl	mol21412	O=P(O)(NCCCl)OCCCNCCCl
