pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.43	AttenGpKa training set	0	-1	O=C(NO)c1cccc(Br)c1	O=C([N-]O)c1cccc(Br)c1,O=C(N[O-])c1cccc(Br)c1	mol31445	O=C(NO)c1cccc(Br)c1