pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.55	Baltruschat ChEMBL	1	0	COCCOCC[NH+](CCOC)CC[C@H]1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O	COCCOCCN(CCOC)CC[C@H]1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O	mol20355	COCCOCCN(CCOC)CCC1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O