0  B22R3.81728257  CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3 MCULE-2234972036 [0,0,0,0,0,0|0,0,0]=0
1  B22R3.81728257  CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3 MCULE-7792382727 [0,0,0,0,0,0|0,0,0]=0
2  B23R3.297290640  C[N+](C)([O-])CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3 MCULE-8575997110 [0,1,0,0,0,0|0,0,1]=2
3  B20R3.3558929  NCCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3 MCULE-4276914412 [2,0,0,0,0,0|0,0,0]=2
4  B20R3.3558929  OCCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3 MCULE-9822910831 [2,0,0,0,0,0|1,0,0]=3