pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.9	Baltruschat ChEMBL	1	0	CC(C)[NH+]1CCC(Nc2ccc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1,CC(C)N1CCC([NH2+]c2ccc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1	CC(C)N1CCC(Nc2ccc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1	mol19185	CC(C)N1CCC(Nc2ccc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1