pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.18	AttenGpKa training set	2	1	NC1=N[C@H]2[NH2+]C=C[C@@H]2C(N)=[NH+]1,NC1=NC(N)=[NH+][C@H]2[NH2+]C=C[C@H]12	NC1=N[C@H]2[NH2+]C=C[C@@H]2C(N)=N1,NC1=N[C@H]2NC=C[C@@H]2C(N)=[NH+]1,NC1=NC(N)=[NH+][C@H]2NC=C[C@H]12	mol26186	NC1=NC2NC=CC2C(N)=N1