pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.77	AttenGpKa training set	1	0	Cn1cnc2c(NC(N)=[NH2+])ncnc21,Cn1c[nH+]c2c(NC(=N)N)ncnc21,Cn1cnc2c(NC(=N)N)[nH+]cnc21,Cn1cnc2c(NC(=N)N)nc[nH+]c21	Cn1cnc2c(NC(=N)N)ncnc21	mol29560	Cn1cnc2c(NC(=N)N)ncnc21