pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.7	OCHEM	1	0	C[C@@H]1CC[C@@H]2[C@@H]([NH2+]1)[C@H](O)[C@@H]([N+](=O)[O-])C[C@@H]2S(=O)(=O)O	C[C@@H]1CC[C@@H]2[C@@H]([NH2+]1)[C@H](O)[C@@H]([N+](=O)[O-])C[C@@H]2S(=O)(=O)[O-]	mol33298	CC1CCC2C(N1)C(O)C([N+](=O)[O-])CC2S(=O)(=O)O