pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.71	Baltruschat ChEMBL	1	0	Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1,Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1	Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1	mol16571	Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1