0  B13R2.328  CC1=CC(=NC2=C1CCCC2)O PH009670 [0,0,0,0,0,0|3,0,0]=3
1  B13R2.328  CC1=CC2=C(CCCC2)C(=[O+]1)C S239089 [0,0,0,0,0,0|4,0,0]=4
2  B13R2.328  CC1=NC(=C2CNCCC2=N1)O PH017969 [0,0,0,0,0,0|3,0,0]=3
3  B13R2.328  ClC1=NC(=C2CCCCC2=N1)Cl CDS007330 [0,0,0,0,0,0|3,0,0]=3
4  B13R2.328  NC1=NC2=C(CCCC2)C(=N1)O CBR02012 [0,0,0,0,0,0|2,0,0]=2
5  B13R2.328  OC1=NC2=C(CCCC2)C(=N1)O S215899 [0,0,0,0,0,0|3,0,0]=3
6  B12R2.24  SC1=NC2=C(C=N1)CCCC2 S215570 [1,0,0,0,0,0|2,0,0]=3
7  B12R2.1081  OC1=NC=CC2=C1CCCC2 PH009108 [1,0,0,0,0,0|3,0,0]=4
8  B12R2.1081  OC1=NC=NC2=C1CCCC2 R263044 [1,0,0,0,0,0|2,0,0]=3
9  B12R2.1081  SC1=NC=NC2=C1CCCC2 T121177 [1,0,0,0,0,0|2,0,0]=3
10  B14R2.1019  CC1=C2CCCCC2=NC(=N1)CN PH019081 [0,1,0,0,0,0|1,0,0]=2
11  B14R2.1019  CC1=NC(=NC2=C1CCCC2)CN CBR02289 [0,1,0,0,0,0|1,0,0]=2
12  B14R2.8235  CC1=NC2=C(CN(CC2)C)C(=N1)Cl PH018838 [0,1,0,0,0,0|3,0,0]=4
13  B12R1.40  CCCC1=NC(=NC(=C1I)O)N PH006457 [0,0,1,0,0,0|3,0,0]=4
14  B12R2.246  CC1=NC2=C(CCC2)C(=N1)Cl CBR01615 [0,0,0,0,1,0|2,0,0]=3
15  B12R2.246  ClC1=NC2=C(CNC2)C(=N1)Cl PHB00104 [0,0,0,0,1,0|3,0,0]=4
16  B12R2.246  OC1=NC(=C2CSCC2=N1)O T135305 [0,0,0,0,1,0|2,0,0]=3
17  B12R2.246  OC1=NC(=NC2=C1SCC2)S S216747 [0,0,0,0,1,0|2,0,0]=3
18  B12R2.2028  CC1=NN(C2=C1CNCC2)C PH019566 [0,0,0,0,1,0|3,0,0]=4
19  B11R1.81  CCCC1=C(N=C(N=C1)C)Cl CBR00552 [1,0,1,0,0,0|2,0,0]=4
20  B13R1.1601  CCCCC1=C(N=C(N=C1C)S)O S343021 [0,1,1,0,0,0|2,0,0]=4
21  B13R1.1601  CCCCC1=C(N=C(N=C1O)N)O R734047 [0,1,1,0,0,0|2,0,0]=4
22  B13R2.135  NC1=C(C2=C(S1)CCCC2)CO TMT00560 [0,1,0,0,1,0|2,0,0]=4
23  B13R2.623  CNC1=C2CCCC2=NC(=N1)Cl CBR00165 [0,1,0,0,1,0|1,0,0]=3
24  B13R2.654  COC1=NC2=C(SCC2)C(=N1)O S217484 [0,1,0,0,1,0|2,0,0]=4
25  B13R2.654  CSC1=NC(=C2CSCC2=N1)O S216291 [0,1,0,0,1,0|2,0,0]=4
26  B13R2.654  CSC1=NC(=C2SCCC2=N1)O S215708 [0,1,0,0,1,0|2,0,0]=4
27  B15R2.886  CC1=NC(=NC2=C1CCCC2)CCN PH019209 [0,2,0,0,0,0|1,0,0]=3
28  B15R2.14951  CN(C)C1=NC(=C2CCCCC2=N1)Cl CBR01398 [0,2,0,0,0,0|2,0,0]=4
29  B15R2.988  NC(=O)C1=C2CNCCC2=NC(=N1)N PH017819 [0,2,0,0,0,0|1,0,1]=4
30  B11R2.10  NC1=NC2=C(S1)CCCC2 R701289 [1,0,0,0,1,0|2,0,0]=4
31  B11R2.10  NC1=NC2=C(S1)COCC2 CDS022800 [1,0,0,0,1,0|1,1,0]=4
32  B11R2.10  NC1=NC2=C(S1)COCC2 SYX00036 [1,0,0,0,1,0|1,1,0]=4
33  B11R2.36  ClC1=NC2=C(C=C1)CCC2 CBR01977 [1,0,0,0,1,0|2,0,0]=4
34  B11R2.36  NC1=CC2=C(C=C1)CCC2 T167487 [1,0,0,0,1,0|2,0,0]=4
35  B11R2.36  NC1=NC2=C(C=N1)CCC2 CBR00289 [1,0,0,0,1,0|0,0,0]=2
36  B11R2.36  NC1=NC=C2CCOC2=N1 CBR00170 [1,0,0,0,1,0|1,0,0]=3