0  B6R1.1  C1CSCSC1 T19081 [0,0,0,0,0,0|2,0,0]=2
1  B7R1.3  CC1CCOCO1 T21291 [0,1,0,0,0,0|2,0,0]=3
2  B7R1.3  NN1CCCCC1 T0533 [0,1,0,0,0,0|0,0,0]=1
3  B7R1.3  O=C1CCCCO1 T4821 [0,1,0,0,0,0|1,0,1]=3
4  B7R1.3  O=C1NCCC=C1 TN3081 [0,1,0,0,0,0|0,0,3]=4
5  B7R1.3  O=C1OCCCO1 T21150 [0,1,0,0,0,0|2,0,1]=4
6  B5R0.2  CCCSSC T39668 [0,0,1,0,0,0|2,0,0]=3
7  B5R0.2  NCCCCN T22213 [0,0,1,0,0,0|1,0,0]=2
8  B5R1.1  C1CC=CO1 T0654 [0,0,0,0,1,0|1,0,2]=4
9  B4R0.2  CCNCC T31448 [1,0,1,0,0,0|0,0,0]=2
10  B4R0.2  CCNCC T9038 [1,0,1,0,0,0|0,0,0]=2
11  B4R0.2  CNCCO TN2779 [1,0,1,0,0,0|1,0,0]=3
12  B4R0.2  NCCC#N T13475 [1,0,1,0,0,0|1,0,1]=4
13  B4R0.2  OCCCO T40585 [1,0,1,0,0,0|2,0,0]=4
14  B6R0.1  COC(=O)CCN T8097 [0,1,1,0,0,0|1,0,1]=4
15  B6R0.4  CC(C)CCC=O T20931 [0,1,1,0,0,0|1,0,1]=4
16  B6R0.4  CN(C)NCCCl T32428 [0,1,1,0,0,0|2,0,0]=4
17  B6R0.4  NCCCC(O)=O T0508 [0,1,1,0,0,0|1,0,1]=4
18  B6R0.6  CC/C=C\CCO T22295 [0,1,1,0,0,0|1,0,1]=4
19  B6R0.6  CCC/C=C/CO TN5162 [0,1,1,0,0,0|1,0,1]=4
20  B6R0.6  CCCCCCO TN6891 [0,1,1,0,0,0|1,0,0]=3
21  B6R0.6  CCCCN=C=S TN6757 [0,1,1,0,0,0|0,0,2]=4
22  B6R0.6  ClCCCCC#N T20456 [0,1,1,0,0,0|0,0,2]=4
23  B6R0.6  ClCCNCCCl T0565 [0,1,1,0,0,0|1,0,0]=3
24  B6R0.6  NCCCCCN T4895 [0,1,1,0,0,0|0,0,0]=2
25  B6R0.6  NCCOCC#C T16586 [0,1,1,0,0,0|0,0,2]=4
26  B6R0.6  NCCOCCN T14009 [0,1,1,0,0,0|1,0,0]=3
27  B6R0.6  NOCCCON T13990 [0,1,1,0,0,0|2,0,0]=4
28  B6R0.6  OCCOCCBr T14787 [0,1,1,0,0,0|2,0,0]=4
29  B6R0.6  OCCOCCO T21019 [0,1,1,0,0,0|2,0,0]=4
30  B6R1.2  CC1=NCCN1 T21052 [0,1,0,0,1,0|1,0,1]=4
31  B6R1.2  CN1CCCC1 T8029 [0,1,0,0,1,0|0,0,0]=2
32  B6R1.2  N=C1CCCS1 T19958 [0,1,0,0,1,0|1,0,1]=4
33  B6R1.2  O=C1CCSC1 T37630 [0,1,0,0,1,0|1,0,1]=4
34  B6R1.2  O=C1NCCN1 T0630 [0,1,0,0,1,0|1,0,1]=4
35  B6R1.2  S=C1NCCN1 T20110 [0,1,0,0,1,0|1,0,1]=4
36  B8R1.22  O=C1CCCCCN1 T20386 [0,1,0,0,0,1|0,0,0]=2
37  B8R1.22  O=C1NCCCCC1 T20195 [0,1,0,0,0,1|0,0,0]=2
38  B8R1.22  O=C1NCCCCC1 T32363 [0,1,0,0,0,1|0,0,0]=2
39  B8R1.2  O=NN1CCOCC1 T40684 [0,2,0,0,0,0|1,0,0]=3
40  B8R1.3  OC1COC(O)CO1 T4748 [0,2,0,0,0,0|2,0,0]=4
41  B8R1.4  CC1CCCC(C)N1 T1007 [0,2,0,0,0,0|0,0,0]=2
42  B8R1.4  CC1CCN=C(N)C1 T21700 [0,2,0,0,0,0|0,0,2]=4
43  B8R1.4  CC1CCOC(C)O1 T21290 [0,2,0,0,0,0|2,0,0]=4
44  B8R1.5  CC1CCCCC1=O T36789 [0,2,0,0,0,0|1,0,0]=3
45  B8R1.5  NC1CCCNC1=O T13495 [0,2,0,0,0,0|0,0,1]=3
46  B8R1.5  N[C@@H]1CCCC[C@H]1N T0164 [0,2,0,0,0,0|1,0,0]=3
47  B8R1.5  O[C@@H]1CCCC[C@H]1O T4763 [0,2,0,0,0,0|1,0,0]=3
48  B8R1.5  O[C@H]1CCCC[C@H]1O TN6922 [0,2,0,0,0,0|1,0,0]=3
49  B8R1.72  C[N+]1([O-])CCOCC1 T0636 [0,2,0,0,0,0|1,0,1]=4