pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.92	OCHEM	1	0	O=S(=O)(O)[C@H]1CC[C@@H](S)[C@H]2[NH2+]CCC[C@@H]21	O=S(=O)([O-])[C@H]1CC[C@@H](S)[C@H]2[NH2+]CCC[C@@H]21	mol33297	O=S(=O)(O)C1CCC(S)C2NCCCC21