pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.64	IUPAC digitized pKa	1	0	CN(C)c1nc(Cl)cc([NH+](C)C)n1,CN(C)c1cc(Cl)nc([NH+](C)C)n1,CN(C)c1cc(Cl)nc(N(C)C)[nH+]1,CN(C)c1cc(Cl)[nH+]c(N(C)C)n1	CN(C)c1cc(Cl)nc(N(C)C)n1	mol7218	CN(C)c1cc(Cl)nc(N(C)C)n1
3.69	AttenGpKa training set	1	0	CN(C)c1nc(Cl)cc([NH+](C)C)n1,CN(C)c1cc(Cl)nc([NH+](C)C)n1,CN(C)c1cc(Cl)nc(N(C)C)[nH+]1,CN(C)c1cc(Cl)[nH+]c(N(C)C)n1	CN(C)c1cc(Cl)nc(N(C)C)n1	mol7218	CN(C)c1cc(Cl)nc(N(C)C)n1