pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.5	OCHEM	4	3	OC1=NC2=[NH+]C(O)=[NH+]C3=[NH+]C(O)=[NH+]C(=N1)N23,[O-]C1=NC2=[NH+]C(O)=[NH+]C3=[NH+]C(O)=[NH+]C(=[NH+]1)N23,OC1=[NH+]C2=NC(O)=[NH+]C3=[NH+]C(O)=[NH+]C(=N1)N23,OC1=NC2=[NH+]C(O)=[NH+]C3=NC(O)=[NH+]C(=[NH+]1)N32,OC1=NC2=NC(O)=[NH+]C3=[NH+]C(O)=[NH+]C(=[NH+]1)N23,OC1=NC2=[NH+]C(O)=[NH+]C3=[NH+]C(O)=NC(=[NH+]1)N23	OC1=NC2=NC(O)=[NH+]C3=[NH+]C(O)=NC(=[NH+]1)N23,OC1=NC2=[NH+]C(O)=[NH+]C3=NC(O)=[NH+]C(=N1)N32,OC1=NC2=[NH+]C(O)=[NH+]C3=[NH+]C(O)=NC(=N1)N23,[O-]C1=NC2=[NH+]C(O)=[NH+]C3=[NH+]C(O)=NC(=[NH+]1)N23,[O-]C1=NC2=NC(O)=[NH+]C3=[NH+]C(O)=[NH+]C(=[NH+]1)N23,OC1=NC2=NC(O)=[NH+]C3=NC(O)=[NH+]C(=[NH+]1)N23,[O-]C1=NC2=[NH+]C(O)=[NH+]C3=NC(O)=[NH+]C(=[NH+]1)N32,[O-]C1=NC2=[NH+]C(O)=[NH+]C3=[NH+]C(O)=[NH+]C(=N1)N23,OC1=NC2=[NH+]C(O)=NC3=[NH+]C(O)=NC(=[NH+]1)N23,OC1=NC2=[NH+]C(O)=NC3=[NH+]C(O)=[NH+]C(=N1)N23,OC1=NC2=NC(O)=[NH+]C3=[NH+]C(O)=[NH+]C(=N1)N23,OC1=[NH+]C2=NC(O)=[NH+]C3=NC(O)=[NH+]C(=N1)N23,[O-]C1=NC2=[NH+]C(O)=NC3=[NH+]C(O)=[NH+]C(=[NH+]1)N23	mol33159	OC1=NC2=NC(O)=NC3=NC(O)=NC(=N1)N23