pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.76	Baltruschat ChEMBL	1	0	c1cncc(C[NH+]2CCOCC2)c1,c1c[nH+]cc(CN2CCOCC2)c1	c1cncc(CN2CCOCC2)c1	mol20294	c1cncc(CN2CCOCC2)c1