pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.31	Datawarrior	1	0	CC(C)(C)N[NH2+]C(C)(C)C	CC(C)(C)NNC(C)(C)C	mol13105	CC(C)(C)NNC(C)(C)C
8.3100004	OCHEM	1	0	CC(C)(C)N[NH2+]C(C)(C)C	CC(C)(C)NNC(C)(C)C	mol13105	CC(C)(C)NNC(C)(C)C