pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.55	IUPAC digitized pKa	1	0	CSc1cc(N(C)C)nc[nH+]1,CSc1cc([NH+](C)C)ncn1,CSc1cc(N(C)C)[nH+]cn1	CSc1cc(N(C)C)ncn1	mol7414	CSc1cc(N(C)C)ncn1
4.57	AttenGpKa training set	1	0	CSc1cc(N(C)C)nc[nH+]1,CSc1cc([NH+](C)C)ncn1,CSc1cc(N(C)C)[nH+]cn1	CSc1cc(N(C)C)ncn1	mol7414	CSc1cc(N(C)C)ncn1