pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.97	Baltruschat ChEMBL	1	0	C#CC1(OC[n+]2ccn(C)c2/C=N/O)CCCC1	C#CC1(OC[n+]2ccn(C)c2/C=N/[O-])CCCC1	mol21504	C#CC1(OC[n+]2ccn(C)c2/C=N/O)CCCC1