pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.31	Datawarrior	1	0	O=C(NCC[NH+]1CCOCC1)c1ccc(Cl)cc1	O=C(NCCN1CCOCC1)c1ccc(Cl)cc1	mol14926	O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
6.3099999	OCHEM	1	0	O=C(NCC[NH+]1CCOCC1)c1ccc(Cl)cc1	O=C(NCCN1CCOCC1)c1ccc(Cl)cc1	mol14926	O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
6.2	Baltruschat ChEMBL	1	0	O=C(NCC[NH+]1CCOCC1)c1ccc(Cl)cc1	O=C(NCCN1CCOCC1)c1ccc(Cl)cc1	mol14926	O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
6.30999994277954	QSARToolbox	1	0	O=C(NCC[NH+]1CCOCC1)c1ccc(Cl)cc1	O=C(NCCN1CCOCC1)c1ccc(Cl)cc1	mol14926	O=C(NCCN1CCOCC1)c1ccc(Cl)cc1