pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.7	IUPAC digitized pKa	0	-1	c1ccc(Cc2nc3ccccc3[nH]2)cc1	c1ccc(Cc2nc3ccccc3[n-]2)cc1	mol4495	c1ccc(Cc2nc3ccccc3[nH]2)cc1
5.1	IUPAC digitized pKa	1	0	c1ccc(Cc2[nH]c3ccccc3[nH+]2)cc1	c1ccc(Cc2nc3ccccc3[nH]2)cc1	mol4495	c1ccc(Cc2nc3ccccc3[nH]2)cc1
5.6	AttenGpKa training set	1	0	c1ccc(Cc2[nH]c3ccccc3[nH+]2)cc1	c1ccc(Cc2nc3ccccc3[nH]2)cc1	mol4495	c1ccc(Cc2nc3ccccc3[nH]2)cc1