pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.77	AttenGpKa training set	0	-1	NC1=N[C@@H]2NC=N[C@@H]2C(N)=N1	NC1=N[C@@H]2[N-]C=N[C@@H]2C(N)=N1	mol26188	NC1=NC2NC=NC2C(N)=N1
5.09	AttenGpKa training set	3	2	NC1=[NH+][C@@H]2NC=[NH+][C@@H]2C(N)=[NH+]1	NC1=N[C@@H]2NC=[NH+][C@@H]2C(N)=[NH+]1,NC1=NC(N)=[NH+][C@@H]2NC=[NH+][C@H]12	mol26188	NC1=NC2NC=NC2C(N)=N1