pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.1	OCHEM	2	1	Nc1cc(C2CC[NH2+]CC2)cc([NH2+]C2CCCC2)n1,[NH3+]c1cc(C2CC[NH2+]CC2)cc(NC2CCCC2)n1,Nc1cc(C2CC[NH2+]CC2)cc(NC2CCCC2)[nH+]1	Nc1cc(C2CCNCC2)cc(NC2CCCC2)[nH+]1,Nc1cc(C2CC[NH2+]CC2)cc(NC2CCCC2)n1	mol19946	Nc1cc(C2CCNCC2)cc(NC2CCCC2)n1