pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.54	IUPAC digitized pKa	1	0	Clc1[nH]c2c3c(ccc2[nH+]1)CCCC3	Clc1nc2ccc3c(c2[nH]1)CCCC3	mol5049	Clc1nc2ccc3c(c2[nH]1)CCCC3