pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.87	Datawarrior	0	-1	O=C(O)CCc1c[nH]c2ccccc12	O=C([O-])CCc1c[nH]c2ccccc12	mol13421	O=C(O)CCc1c[nH]c2ccccc12
4.8699999	OCHEM	0	-1	O=C(O)CCc1c[nH]c2ccccc12	O=C([O-])CCc1c[nH]c2ccccc12	mol13421	O=C(O)CCc1c[nH]c2ccccc12
6.07999992370606	QSARToolbox	0	-1	O=C(O)CCc1c[nH]c2ccccc12	O=C([O-])CCc1c[nH]c2ccccc12	mol13421	O=C(O)CCc1c[nH]c2ccccc12
6.15000009536743	QSARToolbox	0	-1	O=C(O)CCc1c[nH]c2ccccc12	O=C([O-])CCc1c[nH]c2ccccc12	mol13421	O=C(O)CCc1c[nH]c2ccccc12