pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.81	Datawarrior	1	0	C[C@H]([NH3+])[C@H](O)c1ccccc1	C[C@H](N)[C@H](O)c1ccccc1	mol14245	C[C@H](N)[C@H](O)c1ccccc1
9.05	AttenGpKa training set	1	0	C[C@H]([NH3+])[C@H](O)c1ccccc1	C[C@H](N)[C@H](O)c1ccccc1	mol14245	C[C@H](N)[C@H](O)c1ccccc1