pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-3.08	AttenGpKa training set	2	1	Clc1ccc(-n2[nH+][nH+]nc2-c2ccccc2)cc1,Clc1ccc(-n2n[nH+][nH+]c2-c2ccccc2)cc1,Clc1ccc(-n2[nH+]n[nH+]c2-c2ccccc2)cc1	Clc1ccc(-n2[nH+]nnc2-c2ccccc2)cc1,Clc1ccc(-n2n[nH+]nc2-c2ccccc2)cc1,Clc1ccc(-n2nn[nH+]c2-c2ccccc2)cc1	mol26031	Clc1ccc(-n2nnnc2-c2ccccc2)cc1