pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.85	Datawarrior	0	-1	Cc1cc(O)c(C(C)C)cc1Nc1ccc(O)cc1	Cc1cc([O-])c(C(C)C)cc1Nc1ccc(O)cc1,Cc1cc(O)c(C(C)C)cc1Nc1ccc([O-])cc1	mol15485	Cc1cc(O)c(C(C)C)cc1Nc1ccc(O)cc1
9.85000038146973	QSARToolbox	0	-1	Cc1cc(O)c(C(C)C)cc1Nc1ccc(O)cc1	Cc1cc([O-])c(C(C)C)cc1Nc1ccc(O)cc1,Cc1cc(O)c(C(C)C)cc1Nc1ccc([O-])cc1	mol15485	Cc1cc(O)c(C(C)C)cc1Nc1ccc(O)cc1
10.82	Datawarrior	-1	-2	Cc1cc([O-])c(C(C)C)cc1Nc1ccc(O)cc1,Cc1cc(O)c(C(C)C)cc1Nc1ccc([O-])cc1	Cc1cc([O-])c(C(C)C)cc1Nc1ccc([O-])cc1	mol15485	Cc1cc(O)c(C(C)C)cc1Nc1ccc(O)cc1
10.335	OCHEM	-1	-2	Cc1cc([O-])c(C(C)C)cc1Nc1ccc(O)cc1,Cc1cc(O)c(C(C)C)cc1Nc1ccc([O-])cc1	Cc1cc([O-])c(C(C)C)cc1Nc1ccc([O-])cc1	mol15485	Cc1cc(O)c(C(C)C)cc1Nc1ccc(O)cc1