pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	Datawarrior	0	-1	CC(C)(C)[C@@H]1CCn2nnnc2[C@H](C(=O)O)C1	CC(C)(C)[C@@H]1CCn2nnnc2[C@H](C(=O)[O-])C1	mol15145	CC(C)(C)C1CCn2nnnc2C(C(=O)O)C1
4.4000001	OCHEM	0	-1	CC(C)(C)[C@@H]1CCn2nnnc2[C@H](C(=O)O)C1	CC(C)(C)[C@@H]1CCn2nnnc2[C@H](C(=O)[O-])C1	mol15145	CC(C)(C)C1CCn2nnnc2C(C(=O)O)C1