pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	Baltruschat ChEMBL	1	0	C[C@@H]1CN(Cc2ccccc2)c2cncc(F)c2[C@H](C)N1C(=O)Nc1ccc[nH+]c1,C[C@@H]1C[NH+](Cc2ccccc2)c2cncc(F)c2[C@H](C)N1C(=O)Nc1cccnc1,C[C@@H]1CN(Cc2ccccc2)c2c[nH+]cc(F)c2[C@H](C)N1C(=O)Nc1cccnc1	C[C@@H]1CN(Cc2ccccc2)c2cncc(F)c2[C@H](C)N1C(=O)Nc1cccnc1	mol18541	C[C@@H]1CN(Cc2ccccc2)c2cncc(F)c2[C@H](C)N1C(=O)Nc1cccnc1