pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	OCHEM	1	0	Nc1nc(C2CCCC2)cc(N2CC[NH2+]CC2)n1,Nc1nc(C2CCCC2)cc([NH+]2CCNCC2)n1,[NH3+]c1nc(C2CCCC2)cc(N2CCNCC2)n1,Nc1nc(N2CCNCC2)cc(C2CCCC2)[nH+]1	Nc1nc(C2CCCC2)cc(N2CCNCC2)n1	mol19949	Nc1nc(C2CCCC2)cc(N2CCNCC2)n1