pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	OCHEM	1	0	c1cnc([NH+]2CCNCC2)nc1,c1cnc(N2CC[NH2+]CC2)nc1	c1cnc(N2CCNCC2)nc1	mol240	c1cnc(N2CCNCC2)nc1
8.805	AttenGpKa training set	1	0	c1cnc([NH+]2CCNCC2)nc1,c1cnc(N2CC[NH2+]CC2)nc1	c1cnc(N2CCNCC2)nc1	mol240	c1cnc(N2CCNCC2)nc1