c1cnc2ncncc2n1    mol4700    0_1
c1c[nH+]c2ncncc2n1    mol4700    1_1
c1c[nH+]c2cncnc2n1    mol4700    1_2
c1cnc2[nH+]cncc2n1    mol4700    1_3
c1cnc2nc[nH+]cc2n1    mol4700    1_4