pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	Baltruschat ChEMBL	1	0	Cc1ncc(-c2nc([NH2+]c3ccc(C(=O)NC4CCN(C)CC4)c(F)c3)ncc2F)n1C(C)C,Cc1ncc(-c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(F)c3)[nH+]cc2F)n1C(C)C,Cc1ncc(-c2[nH+]c(Nc3ccc(C(=O)NC4CCN(C)CC4)c(F)c3)ncc2F)n1C(C)C,Cc1[nH+]cc(-c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(F)c3)ncc2F)n1C(C)C,Cc1ncc(-c2nc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)c(F)c3)ncc2F)n1C(C)C	Cc1ncc(-c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(F)c3)ncc2F)n1C(C)C	mol18866	Cc1ncc(-c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(F)c3)ncc2F)n1C(C)C