pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.22	Datawarrior	1	0	CC(C)(C)[NH+]1[C@@H]2CCC[C@@H]21	CC(C)(C)N1[C@@H]2CCC[C@@H]21	mol13182	CC(C)(C)N1C2CCCC21
9.2200003	OCHEM	1	0	CC(C)(C)[NH+]1[C@@H]2CCC[C@@H]21	CC(C)(C)N1[C@@H]2CCC[C@@H]21	mol13182	CC(C)(C)N1C2CCCC21
9.22000026702881	QSARToolbox	1	0	CC(C)(C)[NH+]1[C@@H]2CCC[C@@H]21	CC(C)(C)N1[C@@H]2CCC[C@@H]21	mol13182	CC(C)(C)N1C2CCCC21