pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.18	AttenGpKa training set	0	-1	C[C@H]1[NH2+][C@H](C(=O)[O-])CS1	C[C@H]1N[C@H](C(=O)[O-])CS1	mol29321	CC1NC(C(=O)O)CS1