pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.47	IUPAC digitized pKa	1	0	CNc1nc([NH+](C)C)ncc1Br,CNc1[nH+]c(N(C)C)ncc1Br,CNc1nc(N(C)C)[nH+]cc1Br,C[NH2+]c1nc(N(C)C)ncc1Br	CNc1nc(N(C)C)ncc1Br	mol7157	CNc1nc(N(C)C)ncc1Br
6.49	AttenGpKa training set	1	0	CNc1nc([NH+](C)C)ncc1Br,CNc1[nH+]c(N(C)C)ncc1Br,CNc1nc(N(C)C)[nH+]cc1Br,C[NH2+]c1nc(N(C)C)ncc1Br	CNc1nc(N(C)C)ncc1Br	mol7157	CNc1nc(N(C)C)ncc1Br