pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.3000001907349	QSARToolbox	0	-1	CCCCP(=O)(CCCC)[C@H](O)c1ccc(Br)cc1	CCC[CH-]P(=O)(CCCC)[C@H](O)c1ccc(Br)cc1,CCCCP(=O)(CCCC)[C-](O)c1ccc(Br)cc1,CCCCP(=O)(CCCC)[C@H]([O-])c1ccc(Br)cc1	mol34331	CCCCP(=O)(CCCC)C(O)c1ccc(Br)cc1
13.3299999237061	QSARToolbox	0	-1	CCCCP(=O)(CCCC)[C@H](O)c1ccc(Br)cc1	CCC[CH-]P(=O)(CCCC)[C@H](O)c1ccc(Br)cc1,CCCCP(=O)(CCCC)[C-](O)c1ccc(Br)cc1,CCCCP(=O)(CCCC)[C@H]([O-])c1ccc(Br)cc1	mol34331	CCCCP(=O)(CCCC)C(O)c1ccc(Br)cc1