pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.53	AttenGpKa training set	1	0	C[NH+]1NC=C(CO)N1N,CN1NC=C(CO)[NH+]1N,CN1NC=C(CO)N1[NH3+],CN1[NH2+]C=C(CO)N1N	CN1NC=C(CO)N1N	mol25327	CN1NC=C(CO)N1N