pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.5	QSARToolbox	2	1	C[NH+](CC[N+](C)(C)CCP(=O)(O)O)CCP(=O)(O)O,CN(CC[N+](C)(C)CCP(=O)(O)O)CCP(O)(O)=[OH+]	C[NH+](CC[N+](C)(C)CCP(=O)([O-])O)CCP(=O)(O)O,C[NH+](CC[N+](C)(C)CCP(=O)(O)O)CCP(=O)([O-])O	mol37855	CN(CC[N+](C)(C)CCP(=O)(O)O)CCP(=O)(O)O