[S-]c1cn[nH+]c2ccccc12    mol4564    0_1
Sc1cnnc2ccccc12    mol4564    0_2
[S-]c1c[nH+]nc2ccccc12    mol4564    0_3
Sc1c[nH+]nc2ccccc12    mol4564    1_1
Sc1cn[nH+]c2ccccc12    mol4564    1_2
[S-]c1c[nH+][nH+]c2ccccc12    mol4564    1_3
[S-]c1cnnc2ccccc12    mol4564    -1_1