pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	Baltruschat ChEMBL	1	0	CCOC(=O)c1c[nH+]cn1[C@H](C)c1ccccc1	CCOC(=O)c1cncn1[C@H](C)c1ccccc1	mol16572	CCOC(=O)c1cncn1[C@H](C)c1ccccc1