pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.21	Datawarrior	1	0	C[N+](C)(O)c1ccccc1	C[N+](C)([O-])c1ccccc1	mol13072	C[N+](C)(O)c1ccccc1
4.15	AttenGpKa training set	1	0	C[N+](C)(O)c1ccccc1	C[N+](C)([O-])c1ccccc1	mol13072	C[N+](C)(O)c1ccccc1