pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-5.61	AttenGpKa training set	2	1	Oc1ccc(Cl)cc1[C@H]1[NH2+]NC(=[SH+])N1c1ccccc1	Oc1ccc(Cl)cc1[C@H]1[NH2+]NC(=S)N1c1ccccc1	mol25624	Oc1ccc(Cl)cc1C1NNC(=S)N1c1ccccc1