pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	Baltruschat ChEMBL	1	0	N#C[C@@H](c1ccc(O)cc1)[NH+]1CCCC1	N#C[C@@H](c1ccc(O)cc1)N1CCCC1	mol16361	N#CC(c1ccc(O)cc1)N1CCCC1