pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	Baltruschat ChEMBL	1	0	Cc1c(OCC[NH+](C)C)no[n+]1[O-]	Cc1c(OCCN(C)C)no[n+]1[O-]	mol16754	Cc1c(OCCN(C)C)no[n+]1[O-]