pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.16	IUPAC digitized pKa	1	0	CN(C)c1ccnc(N(C)C)[nH+]1,CN(C)c1ccnc([NH+](C)C)n1,CN(C)c1cc[nH+]c(N(C)C)n1,CN(C)c1nccc([NH+](C)C)n1	CN(C)c1ccnc(N(C)C)n1	mol7139	CN(C)c1ccnc(N(C)C)n1
8.18	AttenGpKa training set	1	0	CN(C)c1ccnc(N(C)C)[nH+]1,CN(C)c1ccnc([NH+](C)C)n1,CN(C)c1cc[nH+]c(N(C)C)n1,CN(C)c1nccc([NH+](C)C)n1	CN(C)c1ccnc(N(C)C)n1	mol7139	CN(C)c1ccnc(N(C)C)n1