pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	AttenGpKa training set	0	-1	O=C(/C(=N/O)c1ccco1)c1ccco1	O=C(/C(=N/[O-])c1ccco1)c1ccco1	mol31620	O=C(/C(=N/O)c1ccco1)c1ccco1