pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.67	IUPAC digitized pKa	1	0	CCCCNc1cc[nH+]c(O)n1,CCCCNc1ccnc(O)[nH+]1,CCCC[NH2+]c1ccnc(O)n1	CCCCNc1ccnc(O)n1	mol4114	CCCCNc1ccnc(O)n1
4.69	Datawarrior	1	0	CCCCNc1cc[nH+]c(O)n1,CCCCNc1ccnc(O)[nH+]1,CCCC[NH2+]c1ccnc(O)n1	CCCCNc1ccnc(O)n1	mol4114	CCCCNc1ccnc(O)n1
4.6900001	OCHEM	1	0	CCCCNc1cc[nH+]c(O)n1,CCCCNc1ccnc(O)[nH+]1,CCCC[NH2+]c1ccnc(O)n1	CCCCNc1ccnc(O)n1	mol4114	CCCCNc1ccnc(O)n1