pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.02	Baltruschat ChEMBL	1	0	C#C[C@H](CCC)OC[n+]1ccn(C)c1/C=N/O	C#C[C@H](CCC)OC[n+]1ccn(C)c1/C=N/[O-]	mol21500	C#CC(CCC)OC[n+]1ccn(C)c1/C=N/O