pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.12	Datawarrior	2	1	Cc1cc(-c2ccccc2)n[n+](C)c1NCC[NH+]1CCOCC1	Cc1cc(-c2ccccc2)n[n+](C)c1NCCN1CCOCC1	mol15650	Cc1cc(-c2ccccc2)n[n+](C)c1NCCN1CCOCC1
5.1199999	OCHEM	2	1	Cc1cc(-c2ccccc2)n[n+](C)c1NCC[NH+]1CCOCC1	Cc1cc(-c2ccccc2)n[n+](C)c1NCCN1CCOCC1	mol15650	Cc1cc(-c2ccccc2)n[n+](C)c1NCCN1CCOCC1