pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.93	AttenGpKa training set	2	1	CCOc1cc(C(=O)NCC[NH+](CC)CC)c2ccccc2[nH+]1	CCOc1cc(C(=O)NCC[NH+](CC)CC)c2ccccc2n1	mol24946	CCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1