pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.82	AttenGpKa training set	2	1	CCC[NH+](CCC)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1	CCCN(CCC)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1	mol29948	CCCN(CCC)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1