pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.19	IUPAC digitized pKa	1	0	CCCCNc1ncc(Br)c[nH+]1,CCCC[NH2+]c1ncc(Br)cn1	CCCCNc1ncc(Br)cn1	mol7147	CCCCNc1ncc(Br)cn1