pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.69	AttenGpKa training set	0	-1	C1CN[C@H](c2nnn[nH]2)C1	C1CN[C@H](c2nnn[n-]2)C1	mol25337	C1CN[C@H](c2nnn[nH]2)C1
2.25	AttenGpKa training set	1	0	C1C[NH2+][C@H](c2nnn[nH]2)C1	C1CN[C@H](c2nnn[nH]2)C1	mol25337	C1CN[C@H](c2nnn[nH]2)C1