pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.61	AttenGpKa training set	1	0	CNc1ncnc2c1nc(C)c(=[OH+])n2C,C[NH2+]c1ncnc2c1nc(C)c(=O)n2C,CNc1ncnc2c1[nH+]c(C)c(=O)n2C,CNc1[nH+]cnc2c1nc(C)c(=O)n2C,CNc1nc[nH+]c2c1nc(C)c(=O)n2C	CNc1ncnc2c1nc(C)c(=O)n2C	mol26263	CNc1ncnc2c1nc(C)c(=O)n2C