pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.2	AttenGpKa training set	1	0	c1ccc(C(=NCCc2cccc[nH+]2)c2ccccc2)cc1,c1ccc(C(=[NH+]CCc2ccccn2)c2ccccc2)cc1	c1ccc(C(=NCCc2ccccn2)c2ccccc2)cc1	mol27979	c1ccc(C(=NCCc2ccccn2)c2ccccc2)cc1
3.7	AttenGpKa training set	2	1	c1ccc(C(=[NH+]CCc2cccc[nH+]2)c2ccccc2)cc1	c1ccc(C(=NCCc2cccc[nH+]2)c2ccccc2)cc1,c1ccc(C(=[NH+]CCc2ccccn2)c2ccccc2)cc1	mol27979	c1ccc(C(=NCCc2ccccn2)c2ccccc2)cc1