0  B12R0.5  CCCCCCCCCC#CCO Z1198168660 [0,0,0,0,0,0|1,0,3]=4
1  B12R0.5  CCCCCCCCCCCC#N Z966176448 [0,0,0,0,0,0|2,0,1]=3
2  B12R0.5  CCCCCCCCCCCCN Z104474358 [0,0,0,0,0,0|2,0,1]=3
3  B12R0.5  CCCCCCCCCCCCO Z104476554 [0,0,0,0,0,0|1,0,2]=3
4  B12R0.5  CCCCCCCCNCCCN Z600494288 [0,0,0,0,0,0|3,0,1]=4
5  B12R0.5  CCCCCCCCOCCCN Z1262237229 [0,0,0,0,0,0|3,0,1]=4
6  B12R0.5  CCCCCCNCCCCCC Z104475172 [0,0,0,0,0,0|3,0,1]=4
7  B12R0.5  NCCCCCCCCCCCO Z1198263294 [0,0,0,0,0,0|2,0,2]=4
8  B11R0.3  CCCCCCCCCCC=O Z993017862 [1,0,0,0,0,0|0,0,0]=1
9  B11R0.3  CCCCCCCCCCNC Z102767086 [1,0,0,0,0,0|1,0,1]=3
10  B11R0.3  CCCCCCCCSCCO Z425753146 [1,0,0,0,0,0|1,0,2]=4
11  B11R0.3  CCCCCCCNCCCO Z139305228 [1,0,0,0,0,0|1,0,2]=4
12  B13R0.54  CCCCCCCCC/C=C/C(=O)O Z336127680 [0,1,0,0,0,0|1,0,1]=3
13  B13R0.54  CCCCCCCCCCCC(=O)O Z104476194 [0,1,0,0,0,0|1,0,0]=2
14  B13R0.54  O=C(O)CCCCCCCCCCBr Z57953031 [0,1,0,0,0,0|2,0,0]=3
15  B13R0.336  OCCCCCCCCCCCCBr Z1259040916 [0,1,0,0,0,0|1,0,2]=4
16  B13R1.279  O=C1CCCCCCCCCCC1 Z104473098 [0,0,0,1,0,0|1,0,0]=2
17  B13R1.659  CCCCCCCCCCC1CO1 Z1255485282 [0,0,0,1,0,0|1,0,2]=4
18  B10R0.71  C=CCCCCCCCCN Z2083000288 [2,0,0,0,0,0|1,0,1]=4
19  B10R0.71  CCCCCCCCCC=O Z104477054 [2,0,0,0,0,0|0,0,0]=2
20  B10R0.71  CCCCCCCCCCN Z362810900 [2,0,0,0,0,0|1,0,0]=3
21  B10R0.71  CCCCCCCCCNC Z752371288 [2,0,0,0,0,0|1,0,1]=4
22  B10R0.71  CCCCCNCCCOC Z137847940 [2,0,0,0,0,0|1,0,1]=4
23  B12R0.234  C=CCCCCCCCCC(=O)O Z104479700 [1,1,0,0,0,0|0,0,2]=4
24  B12R0.234  CCCCCCCCCCC(=O)O Z104473988 [1,1,0,0,0,0|0,0,0]=2
25  B12R0.234  CCCCCCCCOCC(=O)O Z362795602 [1,1,0,0,0,0|1,0,0]=3
26  B12R0.234  O=C(O)CCCCCCCCCO Z1255434772 [1,1,0,0,0,0|1,0,0]=3
27  B14R0.391  CCCCCCCCCC(C)CC(=O)O Z1434181484 [0,2,0,0,0,0|1,0,0]=3
28  B12R1.8  CCCCCCC1CCCCN1 Z3214214291 [1,0,0,1,0,0|1,0,1]=4
29  B12R1.8  COCCCNC1CCCCC1 Z3547453339 [1,0,0,1,0,0|1,0,1]=4
30  B12R1.215  O=C1CCCCCCCCCN1 Z1509140506 [1,0,0,1,0,0|1,0,0]=3
31  B12R1.215  O=C1CCNCCCCCCN1 Z1618142864 [1,0,0,1,0,0|2,0,0]=4
32  B12R1.267  NCCCCN1CCCCC1=O Z354005102 [1,0,0,1,0,0|2,0,0]=4
33  B12R1.267  O=C1CCCCC1CNCCBr Z56770950 [1,0,0,1,0,0|2,0,0]=4
34  B12R1.329  COCCN1CCCCCCC1 Z168934532 [1,0,0,1,0,0|1,0,1]=4
35  B12R1.372  CCCCCCC1CCCC1=O Z57921382 [1,0,0,1,0,0|0,0,0]=2
36  B12R1.375  O=CCCCCCCCC1CC1 Z4497136697 [1,0,0,1,0,0|0,0,0]=2
37  B12R1.375  OCCCCCCCCC1CO1 Z1896536419 [1,0,0,1,0,0|1,0,1]=4
38  B14R1.216  CCCCCCCCC1CCCC1=O Z813018306 [0,1,0,1,0,0|1,0,0]=3
39  B14R1.159  NC1CCCCC1CCCCC(=O)O Z5628310222 [0,1,0,1,0,0|2,0,0]=4
40  B14R1.427  CC(=O)NCCCSCC1CCCC1 Z1599261125 [0,1,0,1,0,0|2,0,0]=4
41  B14R1.1454  NC(=O)CCNC1CCCCCCC1 Z57030993 [0,1,0,1,0,0|2,0,0]=4
42  B14R1.6343  NC(=O)CCSCC1CCCCCC1 Z1675602022 [0,1,0,1,0,0|2,0,0]=4
43  B14R1.6388  O=C(O)CCCCCCCCC1CC1 Z1262515364 [0,1,0,1,0,0|1,0,0]=3
44  B14R1.6388  O=C(O)CCCCCCCCC1CO1 Z1486035990 [0,1,0,1,0,0|2,0,0]=4
45  B14R1.845  O=CC1CCCCCCCCCCC1 Z1268606432 [0,1,0,1,0,0|1,0,0]=3
46  B14R1.845  ON=C1CCCCCCCCCCC1 Z49568438 [0,1,0,1,0,0|1,0,1]=4
47  B14R1.138  COCCCSC1CCCCNC1=O Z1764120686 [0,1,0,1,0,0|2,0,0]=4
48  B14R2.24  O=C1CCCCC1C2CCCCC2 Z104477038 [0,0,0,2,0,0|1,0,0]=3
49  B14R2.24  O=C1CCCCC1N2CCCCC2 Z1340548823 [0,0,0,2,0,0|2,0,0]=4
50  B14R2.24  O=C1NCCCC1C2CCOCC2 Z1685768191 [0,0,0,2,0,0|2,0,0]=4
51  B14R2.24  O=C1OCCCN1C2CCNCC2 Z2903893806 [0,0,0,2,0,0|2,0,0]=4
52  B14R2.381  O=C1CCCCCC12CCCCC2 Z1255465953 [0,0,0,2,0,0|1,0,0]=3
53  B14R2.296  CN1CCCC1C2CCCCC2=O Z1332873136 [0,0,0,2,0,0|2,0,0]=4
54  B14R2.5202  O=C1OCCC1N2CCCSCC2 Z1535578112 [0,0,0,2,0,0|2,0,0]=4
55  B14R2.5202  O=C1OCCN1C2CCCNCC2 Z4605172609 [0,0,0,2,0,0|2,0,0]=4