pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.9	AttenGpKa training set	0	-1	Cc1cnc(C(=O)OCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1	Cc1cnc(C(=O)OCCc2ccc(S(=O)(=O)[N-]C(=O)NC3CCCCC3)cc2)cn1	mol30076	Cc1cnc(C(=O)OCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1