pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	OCHEM	2	1	Nc1cc(N2CC[NH2+]CC2)cc([NH2+]C2CCCC2)n1,Nc1cc(N2CC[NH2+]CC2)cc(NC2CCCC2)[nH+]1	[NH3+]c1cc(N2CCNCC2)cc(NC2CCCC2)n1,Nc1cc([NH+]2CCNCC2)cc(NC2CCCC2)n1,Nc1cc(N2CC[NH2+]CC2)cc(NC2CCCC2)n1,Nc1cc(N2CCNCC2)cc(NC2CCCC2)[nH+]1,Nc1cc(N2CCNCC2)cc([NH2+]C2CCCC2)n1	mol19957	Nc1cc(N2CCNCC2)cc(NC2CCCC2)n1