pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.23	Baltruschat ChEMBL	0	-1	O=C([O-])Cn1cc[nH+]c1	O=C([O-])Cn1ccnc1	mol18490	O=C(O)Cn1ccnc1
6.93	AttenGpKa training set	0	-1	O=C([O-])Cn1cc[nH+]c1	O=C([O-])Cn1ccnc1	mol18490	O=C(O)Cn1ccnc1
2.19	AttenGpKa training set	1	0	O=C(O)Cn1cc[nH+]c1	O=C([O-])Cn1cc[nH+]c1	mol18490	O=C(O)Cn1ccnc1