pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.12	IUPAC digitized pKa	1	0	Cc1ccc2ccc3c(C)[nH+]ccc3c2n1,Cc1ccc2ccc3c(C)nccc3c2[nH+]1	Cc1ccc2ccc3c(C)nccc3c2n1	mol5070	Cc1ccc2ccc3c(C)nccc3c2n1
5.0	IUPAC digitized pKa	1	0	Cc1ccc2ccc3c(C)[nH+]ccc3c2n1,Cc1ccc2ccc3c(C)nccc3c2[nH+]1	Cc1ccc2ccc3c(C)nccc3c2n1	mol5070	Cc1ccc2ccc3c(C)nccc3c2n1
4.9	IUPAC digitized pKa	1	0	Cc1ccc2ccc3c(C)[nH+]ccc3c2n1,Cc1ccc2ccc3c(C)nccc3c2[nH+]1	Cc1ccc2ccc3c(C)nccc3c2n1	mol5070	Cc1ccc2ccc3c(C)nccc3c2n1
4.75	IUPAC digitized pKa	1	0	Cc1ccc2ccc3c(C)[nH+]ccc3c2n1,Cc1ccc2ccc3c(C)nccc3c2[nH+]1	Cc1ccc2ccc3c(C)nccc3c2n1	mol5070	Cc1ccc2ccc3c(C)nccc3c2n1
2.36	IUPAC digitized pKa	2	1	Cc1ccc2ccc3c(C)[nH+]ccc3c2[nH+]1	Cc1ccc2ccc3c(C)[nH+]ccc3c2n1,Cc1ccc2ccc3c(C)nccc3c2[nH+]1	mol5070	Cc1ccc2ccc3c(C)nccc3c2n1
2.15	IUPAC digitized pKa	2	1	Cc1ccc2ccc3c(C)[nH+]ccc3c2[nH+]1	Cc1ccc2ccc3c(C)[nH+]ccc3c2n1,Cc1ccc2ccc3c(C)nccc3c2[nH+]1	mol5070	Cc1ccc2ccc3c(C)nccc3c2n1
2.0	IUPAC digitized pKa	2	1	Cc1ccc2ccc3c(C)[nH+]ccc3c2[nH+]1	Cc1ccc2ccc3c(C)[nH+]ccc3c2n1,Cc1ccc2ccc3c(C)nccc3c2[nH+]1	mol5070	Cc1ccc2ccc3c(C)nccc3c2n1
1.85	IUPAC digitized pKa	2	1	Cc1ccc2ccc3c(C)[nH+]ccc3c2[nH+]1	Cc1ccc2ccc3c(C)[nH+]ccc3c2n1,Cc1ccc2ccc3c(C)nccc3c2[nH+]1	mol5070	Cc1ccc2ccc3c(C)nccc3c2n1