pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.25	Novartis	1	0	COc1ccc(SC)c2c1C[C@@H]1[C@@H](C2)OCC[NH+]1C	COc1ccc(SC)c2c1C[C@@H]1[C@@H](C2)OCCN1C	mol2863	COc1ccc(SC)c2c1C[C@@H]1[C@@H](C2)OCCN1C