pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.78	Datawarrior	1	0	Cc1ccccc1[N+](C)(C)O	Cc1ccccc1[N+](C)(C)[O-]	mol14252	Cc1ccccc1[N+](C)(C)O
4.7800002	OCHEM	1	0	Cc1ccccc1[N+](C)(C)O	Cc1ccccc1[N+](C)(C)[O-]	mol14252	Cc1ccccc1[N+](C)(C)O
4.61	AttenGpKa training set	1	0	Cc1ccccc1[N+](C)(C)O	Cc1ccccc1[N+](C)(C)[O-]	mol14252	Cc1ccccc1[N+](C)(C)O