pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4399995803833	QSARToolbox	1	0	Cc1cc(OCC[NH+](C)C)c(C(C)C)cc1OS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C	Cc1cc(OCCN(C)C)c(C(C)C)cc1OS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C	mol38348	Cc1cc(OCCN(C)C)c(C(C)C)cc1OS(=O)(=O)CC12CCC(CC1=O)C2(C)C