pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.96	IUPAC digitized pKa	1	0	c1ccc2c(c1)Sc1ccccc1N2CC[NH+]1CCCC1	c1ccc2c(c1)Sc1ccccc1N2CCN1CCCC1	mol2531	c1ccc2c(c1)Sc1ccccc1N2CCN1CCCC1
8.91	IUPAC digitized pKa	1	0	c1ccc2c(c1)Sc1ccccc1N2CC[NH+]1CCCC1	c1ccc2c(c1)Sc1ccccc1N2CCN1CCCC1	mol2531	c1ccc2c(c1)Sc1ccccc1N2CCN1CCCC1
9.7	Hunt	1	0	c1ccc2c(c1)Sc1ccccc1N2CC[NH+]1CCCC1	c1ccc2c(c1)Sc1ccccc1N2CCN1CCCC1	mol2531	c1ccc2c(c1)Sc1ccccc1N2CCN1CCCC1