pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.77	AttenGpKa training set	0	-1	C[NH+](CC(F)(F)F)c1ccnc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1,CN(CC(F)(F)F)c1cc[nH+]c(C(=O)N2CCC[C@@H]2C(=O)[O-])c1	CN(CC(F)(F)F)c1ccnc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1	mol29481	CN(CC(F)(F)F)c1ccnc(C(=O)N2CCCC2C(=O)O)c1