pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.56	Datawarrior	2	1	CC1CC[NH+](c2cc[nH+]cc2)CC1	CC1CCN(c2cc[nH+]cc2)CC1,CC1CC[NH+](c2ccncc2)CC1	mol13751	CC1CCN(c2ccncc2)CC1