pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.1	Datawarrior	1	0	CCCCNc1n[nH+]c(-c2ccccc2)cc1C,CCCCNc1[nH+]nc(-c2ccccc2)cc1C,CCCC[NH2+]c1nnc(-c2ccccc2)cc1C	CCCCNc1nnc(-c2ccccc2)cc1C	mol14972	CCCCNc1nnc(-c2ccccc2)cc1C
6.0999999	OCHEM	1	0	CCCCNc1n[nH+]c(-c2ccccc2)cc1C,CCCCNc1[nH+]nc(-c2ccccc2)cc1C,CCCC[NH2+]c1nnc(-c2ccccc2)cc1C	CCCCNc1nnc(-c2ccccc2)cc1C	mol14972	CCCCNc1nnc(-c2ccccc2)cc1C
6.09999990463257	QSARToolbox	1	0	CCCCNc1n[nH+]c(-c2ccccc2)cc1C,CCCCNc1[nH+]nc(-c2ccccc2)cc1C,CCCC[NH2+]c1nnc(-c2ccccc2)cc1C	CCCCNc1nnc(-c2ccccc2)cc1C	mol14972	CCCCNc1nnc(-c2ccccc2)cc1C