pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	Baltruschat ChEMBL	1	0	COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC[NH+]2[C@@H](CCC[C@@H]2C)C1	COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2[C@@H](CCC[C@@H]2C)C1	mol21224	COc1cc(N)c(Cl)cc1C(=O)NC1CCN2C(C)CCCC2C1