pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.66	AttenGpKa training set	2	1	CC[NH+](CC)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c(C)c1	CCN(CC)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c(C)c1	mol29919	CCN(CC)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c(C)c1