pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.47	Datawarrior	1	0	C[NH+]=C1CCCC[C@@H]1C	CN=C1CCCC[C@@H]1C	mol13628	CN=C1CCCCC1C
9.4700003	OCHEM	1	0	C[NH+]=C1CCCC[C@@H]1C	CN=C1CCCC[C@@H]1C	mol13628	CN=C1CCCCC1C