pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.83	Baltruschat ChEMBL	1	0	CCOc1cc(CN2CCC(NC(=O)c3ccc([NH2+]C)nc3)CC2)cc(OCC)c1F,CCOc1cc(C[NH+]2CCC(NC(=O)c3ccc(NC)nc3)CC2)cc(OCC)c1F,CCOc1cc(CN2CCC(NC(=O)c3ccc(NC)[nH+]c3)CC2)cc(OCC)c1F	CCOc1cc(CN2CCC(NC(=O)c3ccc(NC)nc3)CC2)cc(OCC)c1F	mol19460	CCOc1cc(CN2CCC(NC(=O)c3ccc(NC)nc3)CC2)cc(OCC)c1F