pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.1	AttenGpKa training set	0	-1	CC(C)C[C@H]1[NH2+][C@@H](C(=O)[O-])CS1	CC(C)C[C@H]1N[C@@H](C(=O)[O-])CS1	mol29345	CC(C)CC1NC(C(=O)O)CS1