pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.55	AttenGpKa training set	1	0	C[S+](C)CC(=O)/C=N/O	C[S+](C)CC(=O)/C=N/[O-],C[S+](C)[CH-]C(=O)/C=N/O	mol31537	C[S+](C)CC(=O)/C=N/[O-]