pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.2	Datawarrior	0	-1	O=C([O-])CSc1[nH]c2cc3c(cc2[nH+]1)CCCC3	O=C([O-])CSc1nc2cc3c(cc2[nH]1)CCCC3	mol14823	O=C(O)CSc1nc2cc3c(cc2[nH]1)CCCC3
5.1999998	OCHEM	0	-1	O=C([O-])CSc1[nH]c2cc3c(cc2[nH+]1)CCCC3	O=C([O-])CSc1nc2cc3c(cc2[nH]1)CCCC3	mol14823	O=C(O)CSc1nc2cc3c(cc2[nH]1)CCCC3
5.19999980926514	QSARToolbox	0	-1	O=C([O-])CSc1[nH]c2cc3c(cc2[nH+]1)CCCC3	O=C([O-])CSc1nc2cc3c(cc2[nH]1)CCCC3	mol14823	O=C(O)CSc1nc2cc3c(cc2[nH]1)CCCC3