pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.29999995231628	QSARToolbox	2	1	N=C(N)Nc1nc(-c2ccnc([NH3+])[nH+]2)cs1,N=C(N)Nc1[nH+]c(-c2ccnc([NH3+])n2)cs1,N=C(N)Nc1nc(-c2cc[nH+]c([NH3+])n2)cs1,N=C(N)Nc1nc(-c2cc[nH+]c(N)[nH+]2)cs1,N=C(N)Nc1[nH+]c(-c2cc[nH+]c(N)n2)cs1,N=C(N)Nc1[nH+]c(-c2ccnc(N)[nH+]2)cs1	NC(=[NH2+])Nc1nc(-c2ccnc(N)n2)cs1,N=C(N)Nc1nc(-c2ccnc([NH3+])n2)cs1,N=C(N)Nc1nc(-c2cc[nH+]c(N)n2)cs1,N=C(N)Nc1nc(-c2ccnc(N)[nH+]2)cs1,N=C(N)Nc1[nH+]c(-c2ccnc(N)n2)cs1	mol38307	N=C(N)Nc1nc(-c2ccnc(N)n2)cs1