pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.03	Datawarrior	1	0	C1CCc2[nH+]nc3c(c2CC1)CCCC3,C1CCc2n[nH+]c3c(c2CC1)CCCC3	C1CCc2nnc3c(c2CC1)CCCC3	mol15804	C1CCc2nnc3c(c2CC1)CCCC3
6.0300002	OCHEM	1	0	C1CCc2[nH+]nc3c(c2CC1)CCCC3,C1CCc2n[nH+]c3c(c2CC1)CCCC3	C1CCc2nnc3c(c2CC1)CCCC3	mol15804	C1CCc2nnc3c(c2CC1)CCCC3
6.03000020980835	QSARToolbox	1	0	C1CCc2[nH+]nc3c(c2CC1)CCCC3,C1CCc2n[nH+]c3c(c2CC1)CCCC3	C1CCc2nnc3c(c2CC1)CCCC3	mol15804	C1CCc2nnc3c(c2CC1)CCCC3