pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.52	AttenGpKa training set	0	-1	O=c1[nH]c(-c2ccncc2)nc2ccccc12	O=c1[n-]c(-c2ccncc2)nc2ccccc12	mol26288	O=c1[nH]c(-c2ccncc2)nc2ccccc12
3.33	AttenGpKa training set	1	0	O=c1[nH]c(-c2cc[nH+]cc2)nc2ccccc12,O=c1[nH]c(-c2ccncc2)[nH+]c2ccccc12	O=c1[nH]c(-c2ccncc2)nc2ccccc12	mol26288	O=c1[nH]c(-c2ccncc2)nc2ccccc12