pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.89999997615814	QSARToolbox	0	-1	OC(O)=C1C=Cc2ccccc21	[O-]C(O)=C1C=Cc2ccccc21	mol31171	OC(O)=C1C=Cc2ccccc21
1.9	AttenGpKa training set	0	-1	OC(O)=C1C=Cc2ccccc21	[O-]C(O)=C1C=Cc2ccccc21	mol31171	OC(O)=C1C=Cc2ccccc21
8.3	AttenGpKa training set	-1	-2	[O-]C(O)=C1C=Cc2ccccc21	[O-]C([O-])=C1C=Cc2ccccc21	mol31171	OC(O)=C1C=Cc2ccccc21