pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.44	IUPAC digitized pKa	1	0	CCCCNc1[nH+]cncc1Br,CCCCNc1nc[nH+]cc1Br,CCCC[NH2+]c1ncncc1Br	CCCCNc1ncncc1Br	mol7149	CCCCNc1ncncc1Br