pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.0	Baltruschat ChEMBL	1	0	O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CC[NH+](c2ncccn2)CC1,O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(c2nccc[nH+]2)CC1	O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(c2ncccn2)CC1	mol18203	O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(c2ncccn2)CC1