pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.13	Datawarrior	2	1	CC(C)([NH3+])C(C)(C)[NH3+]	CC(C)(N)C(C)(C)[NH3+]	mol3219	CC(C)(N)C(C)(C)N
6.56	Datawarrior	2	1	CC(C)([NH3+])C(C)(C)[NH3+]	CC(C)(N)C(C)(C)[NH3+]	mol3219	CC(C)(N)C(C)(C)N
9.87	OCHEM	2	1	CC(C)([NH3+])C(C)(C)[NH3+]	CC(C)(N)C(C)(C)[NH3+]	mol3219	CC(C)(N)C(C)(C)N
6.9	OCHEM	2	1	CC(C)([NH3+])C(C)(C)[NH3+]	CC(C)(N)C(C)(C)[NH3+]	mol3219	CC(C)(N)C(C)(C)N