pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.26	AttenGpKa training set	1	0	CC(C)OP(=O)(COCCn1cnc2c[nH+]c(N=C(N)N)nc21)OC(C)C,CC(C)OP(=O)(COCCn1cnc2cnc([NH+]=C(N)N)nc21)OC(C)C,CC(C)OP(=O)(COCCn1cnc2cnc(N=C(N)N)[nH+]c21)OC(C)C	CC(C)OP(=O)(COCCn1cnc2cnc(N=C(N)N)nc21)OC(C)C	mol30007	CC(C)OP(=O)(COCCn1cnc2cnc(N=C(N)N)nc21)OC(C)C