pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.0	AttenGpKa training set	1	0	CC1C(=O)NC(=[SH+])NC1=O,CC1C(=O)NC(=S)NC1=[OH+]	CC1C(=O)NC(=S)NC1=O	mol29519	CC1C(=O)NC(=S)NC1=O