pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.13	AttenGpKa training set	0	-1	C[NH+](C)c1ccnc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1,CN(C)c1cc[nH+]c(C(=O)N2CCC[C@@H]2C(=O)[O-])c1	CN(C)c1ccnc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1	mol29468	CN(C)c1ccnc(C(=O)N2CCCC2C(=O)O)c1