pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.3	AttenGpKa training set	0	-1	O=C(NC(=O)c1ccccc1)OCc1ccncc1	O=C([N-]C(=O)c1ccccc1)OCc1ccncc1	mol27300	O=C(NC(=O)c1ccccc1)OCc1ccncc1