pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.92	AttenGpKa training set	0	-1	Nc1ccc(S(=O)(=O)NCCO)cc1	Nc1ccc(S(=O)(=O)[N-]CCO)cc1	mol28402	Nc1ccc(S(=O)(=O)NCCO)cc1
2.3	AttenGpKa training set	1	0	Nc1ccc(S(=O)(=O)NCC[OH2+])cc1,[NH3+]c1ccc(S(=O)(=O)NCCO)cc1,Nc1ccc(S(=O)(=O)[NH2+]CCO)cc1	Nc1ccc(S(=O)(=O)NCCO)cc1	mol28402	Nc1ccc(S(=O)(=O)NCCO)cc1