pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.02	IUPAC digitized pKa	1	0	CSc1ccnc([NH+](C)C)n1,CSc1cc[nH+]c(N(C)C)n1,CSc1ccnc(N(C)C)[nH+]1	CSc1ccnc(N(C)C)n1	mol7412	CSc1ccnc(N(C)C)n1
5.04	AttenGpKa training set	1	0	CSc1ccnc([NH+](C)C)n1,CSc1cc[nH+]c(N(C)C)n1,CSc1ccnc(N(C)C)[nH+]1	CSc1ccnc(N(C)C)n1	mol7412	CSc1ccnc(N(C)C)n1