pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1	IUPAC digitized pKa	1	0	c1ccc2c(c1)c[nH+]c1cccnc12,c1ccc2c(c1)cnc1ccc[nH+]c12	c1ccc2c(c1)cnc1cccnc12	mol5066	c1ccc2c(c1)cnc1cccnc12
4.05	IUPAC digitized pKa	1	0	c1ccc2c(c1)c[nH+]c1cccnc12,c1ccc2c(c1)cnc1ccc[nH+]c12	c1ccc2c(c1)cnc1cccnc12	mol5066	c1ccc2c(c1)cnc1cccnc12
4.0	IUPAC digitized pKa	1	0	c1ccc2c(c1)c[nH+]c1cccnc12,c1ccc2c(c1)cnc1ccc[nH+]c12	c1ccc2c(c1)cnc1cccnc12	mol5066	c1ccc2c(c1)cnc1cccnc12
3.95	IUPAC digitized pKa	1	0	c1ccc2c(c1)c[nH+]c1cccnc12,c1ccc2c(c1)cnc1ccc[nH+]c12	c1ccc2c(c1)cnc1cccnc12	mol5066	c1ccc2c(c1)cnc1cccnc12
0.75	IUPAC digitized pKa	2	1	c1ccc2c(c1)c[nH+]c1ccc[nH+]c12	c1ccc2c(c1)c[nH+]c1cccnc12,c1ccc2c(c1)cnc1ccc[nH+]c12	mol5066	c1ccc2c(c1)cnc1cccnc12