pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.47	Baltruschat ChEMBL	1	0	O[C@H]1CC[C@H](Nc2nc3c(c[nH+]2)nc(Nc2c(F)cc(F)cc2F)n3[C@H]2CCOC2)CC1,O[C@H]1CC[C@H](Nc2ncc3nc([NH2+]c4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1,O[C@H]1CC[C@H](Nc2ncc3[nH+]c(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1,O[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3[nH+]2)CC1,O[C@H]1CC[C@H]([NH2+]c2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1	O[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1	mol16215	O[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1