pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.75	AttenGpKa training set	0	-1	O=c1nc(N2CCCC2)c2ccccc2[nH]1	O=c1nc(N2CCCC2)c2ccccc2[n-]1	mol26278	O=c1nc(N2CCCC2)c2ccccc2[nH]1
7.44	AttenGpKa training set	1	0	O=c1[nH]c2ccccc2c(N2CCCC2)[nH+]1,O=c1nc([NH+]2CCCC2)c2ccccc2[nH]1	O=c1nc(N2CCCC2)c2ccccc2[nH]1	mol26278	O=c1nc(N2CCCC2)c2ccccc2[nH]1
2.11	AttenGpKa training set	1	0	O=c1[nH]c2ccccc2c(N2CCCC2)[nH+]1,O=c1nc([NH+]2CCCC2)c2ccccc2[nH]1	O=c1nc(N2CCCC2)c2ccccc2[nH]1	mol26278	O=c1nc(N2CCCC2)c2ccccc2[nH]1