pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.32	Datawarrior	1	0	Cc1ccc([N+](C)(C)O)cc1	Cc1ccc([N+](C)(C)[O-])cc1	mol14251	Cc1ccc([N+](C)(C)O)cc1
4.3200002	OCHEM	1	0	Cc1ccc([N+](C)(C)O)cc1	Cc1ccc([N+](C)(C)[O-])cc1	mol14251	Cc1ccc([N+](C)(C)O)cc1
4.245	AttenGpKa training set	1	0	Cc1ccc([N+](C)(C)O)cc1	Cc1ccc([N+](C)(C)[O-])cc1	mol14251	Cc1ccc([N+](C)(C)O)cc1