pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.1	AttenGpKa training set	2	1	C[NH+]1NC=C(C(N)=O)[NH+]1N,C[NH+]1[NH2+]C=C(C(N)=O)N1N,CN1NC=C(C(N)=O)[NH+]1[NH3+],CN1[NH2+]C=C(C(N)=O)N1[NH3+]	C[NH+]1NC=C(C(N)=O)N1N,CN1[NH2+]C=C(C(N)=O)N1N,CN1NC=C(C(N)=O)N1[NH3+],CN1NC=C(C(N)=O)[NH+]1N	mol25358	CN1NC=C(C(N)=O)N1N