pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.75	IUPAC digitized pKa	1	0	C[NH2+]c1ccnc(N)n1,CNc1cc[nH+]c(N)n1,CNc1ccnc(N)[nH+]1,CNc1ccnc([NH3+])n1	CNc1ccnc(N)n1	mol7094	CNc1ccnc(N)n1
7.77	AttenGpKa training set	1	0	C[NH2+]c1ccnc(N)n1,CNc1cc[nH+]c(N)n1,CNc1ccnc(N)[nH+]1,CNc1ccnc([NH3+])n1	CNc1ccnc(N)n1	mol7094	CNc1ccnc(N)n1