pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.9	AttenGpKa training set	1	0	C[NH2+]CCCCCSc1ccccc1	CNCCCCCSc1ccccc1	mol24309	CNCCCCCSc1ccccc1