pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.3	AttenGpKa training set	1	0	Cc1nc(-c2ccccc2)[nH+]c2nccnc12,Cc1nc(-c2ccccc2)nc2ncc[nH+]c12,Cc1nc(-c2ccccc2)nc2[nH+]ccnc12,Cc1[nH+]c(-c2ccccc2)nc2nccnc12	Cc1nc(-c2ccccc2)nc2nccnc12	mol26284	Cc1nc(-c2ccccc2)nc2nccnc12