pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	Baltruschat ChEMBL	1	0	COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC[NH+](CCCOc2ccc(F)cc2)C[C@@H]1OC,COc1cc([NH3+])c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1OC	COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1OC	mol16587	COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC
7.7	Baltruschat ChEMBL	1	0	COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC[NH+](CCCOc2ccc(F)cc2)C[C@@H]1OC,COc1cc([NH3+])c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1OC	COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1OC	mol16587	COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC