Cc1noc(C2=C[C@@H](C)CNC2)n1    mol20452    0_1
Cc1noc(C2=C[C@@H](C)CNC2)[nH+]1    mol20452    1_1
Cc1noc(C2=C[C@@H](C)C[NH2+]C2)n1    mol20452    1_2
Cc1nc(C2=C[C@@H](C)CNC2)o[nH+]1    mol20452    1_3