pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.1	Novartis	1	0	CC(C)(C)OC(=O)N1CCC(C(=[OH+])NS(=O)(=O)c2c(Cl)sc(Cl)c2Br)CC1,CC(C)(C)OC(=[OH+])N1CCC(C(=O)NS(=O)(=O)c2c(Cl)sc(Cl)c2Br)CC1	CC(C)(C)OC(=O)N1CCC(C(=O)NS(=O)(=O)c2c(Cl)sc(Cl)c2Br)CC1	mol2787	CC(C)(C)OC(=O)N1CCC(C(=O)NS(=O)(=O)c2c(Cl)sc(Cl)c2Br)CC1