pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.1	AttenGpKa training set	1	0	CCNc1ncc(Br)c[nH+]1,CC[NH2+]c1ncc(Br)cn1	CCNc1ncc(Br)cn1	mol7161	CCNc1ncc(Br)cn1