pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.65	Baltruschat ChEMBL	1	0	CC[NH+](CC)CCS/C(=N/O)c1nsnc1C,CCN(CC)CCS/C(=N/O)c1ns[nH+]c1C	CC[NH+](CC)CCS/C(=N/[O-])c1nsnc1C,CCN(CC)CCS/C(=N/O)c1nsnc1C	mol20489	CCN(CC)CCS/C(=N/O)c1nsnc1C