pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.36	OCHEM	1	0	CCC1=[NH+][C@@H](CC)CS1	CCC1=N[C@@H](CC)CS1	mol1626	CCC1=N[C@@H](CC)CS1