pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.16	AttenGpKa training set	1	0	CCN(CC)CC(=O)c1ccc2c(c1)Cc1cc(C(=O)C[NH+](CC)CC)ccc1-2	CCN(CC)CC(=O)c1ccc2c(c1)Cc1cc(C(=O)CN(CC)CC)ccc1-2	mol24482	CCN(CC)CC(=O)c1ccc2c(c1)Cc1cc(C(=O)CN(CC)CC)ccc1-2
8.89	AttenGpKa training set	1	0	CCN(CC)CC(=O)c1ccc2c(c1)Cc1cc(C(=O)C[NH+](CC)CC)ccc1-2	CCN(CC)CC(=O)c1ccc2c(c1)Cc1cc(C(=O)CN(CC)CC)ccc1-2	mol24482	CCN(CC)CC(=O)c1ccc2c(c1)Cc1cc(C(=O)CN(CC)CC)ccc1-2