pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3	OCHEM	0	-1	O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1	O=C([O-])CCc1nc(-c2ccccc2)c(-c2ccccc2)o1	mol17508	O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
5.8	Baltruschat ChEMBL	0	-1	O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1	O=C([O-])CCc1nc(-c2ccccc2)c(-c2ccccc2)o1	mol17508	O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1