pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.92	AttenGpKa training set	1	0	CC1(C)OC[C@@H](C(=O)c2ccccc2)N1C(=O)c1ccc[nH+]c1	CC1(C)OC[C@@H](C(=O)c2ccccc2)N1C(=O)c1cccnc1	mol25144	CC1(C)OCC(C(=O)c2ccccc2)N1C(=O)c1cccnc1