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2  B9R0.7  CC(S)C(=O)NCC(=O)O Z2681891170 [0,0,0,0,0,0|0,0,2]=2
3  B9R0.7  CN(C)C(=O)CCC(=O)O Z270759422 [0,0,0,0,0,0|3,0,1]=4
4  B8R0.9  CCC(=O)CCC(=O)O Z838955680 [1,0,0,0,0,0|1,0,1]=3
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6  B8R0.9  CCC(C)CCC(=O)O Z955111774 [1,0,0,0,0,0|2,0,1]=4
7  B8R0.9  CCC(C)NCC(=O)O Z425484950 [1,0,0,0,0,0|1,0,2]=4
8  B8R0.9  CCC(C)OCC(=O)O Z839103364 [1,0,0,0,0,0|2,0,1]=4
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12  B8R0.9  COC(=O)CCC(=O)O Z57663583 [1,0,0,0,0,0|2,0,1]=4
13  B8R0.9  COC(=O)NCC(=O)O Z111492620 [1,0,0,0,0,0|1,0,2]=4
14  B8R0.9  NCC(=O)CCC(=O)O Z1741972992 [1,0,0,0,0,0|2,0,1]=4
15  B8R0.9  NCC(=O)NCC(=O)O Z56896934 [1,0,0,0,0,0|1,0,2]=4
16  B8R0.28  CC(=CCCC(=O)O)C Z1198162635 [1,0,0,0,0,0|2,0,1]=4
17  B8R0.28  CC(C)CCCC(=O)O Z426022098 [1,0,0,0,0,0|2,0,1]=4
18  B8R0.28  CC(C)CNCC(=O)O Z1259273209 [1,0,0,0,0,0|1,0,2]=4
19  B8R0.28  CC(C)CSCC(=O)O Z96112845 [1,0,0,0,0,0|2,0,1]=4
20  B8R0.28  CC(C)NCCC(=O)O Z235348215 [1,0,0,0,0,0|3,0,0]=4
21  B8R0.28  CC(C)OCCC(=O)O Z316259248 [1,0,0,0,0,0|3,0,0]=4
22  B8R0.28  CC(N)CCCC(=O)O Z1551469174 [1,0,0,0,0,0|2,0,1]=4
23  B8R0.28  CC(N)COCC(=O)O Z3789755599 [1,0,0,0,0,0|2,0,1]=4
24  B10R0.12  CC(C)(C)C(=O)CCC(=O)O Z838955688 [0,1,0,0,0,0|2,0,1]=4
25  B10R0.12  CC(C)(C)C(=O)NCC(=O)O Z85886682 [0,1,0,0,0,0|1,0,2]=4
26  B10R0.13  CC(C)C(=O)N(C)CC(=O)O Z85895193 [0,1,0,0,0,0|1,0,2]=4
27  B10R0.57  CCC(C)C(=O)NCC(=O)O Z239129928 [0,1,0,0,0,0|1,0,2]=4
28  B10R0.82  COC(=O)CCC(=O)C(C)C Z838955646 [0,1,0,0,0,0|2,0,1]=4
29  B10R0.93  CC(C)C(=O)NC(C)C(=O)O Z85890230 [0,1,0,0,0,0|1,0,2]=4
30  B10R0.93  C[C@@H](N)C(=O)N[C@H](C)C(=O)O Z829938994 [0,1,0,0,0,0|1,0,2]=4
31  B10R1.58  CC1=C(N=C(S1)C(=O)O)O Z1216838537 [0,0,0,1,0,0|0,0,2]=3
32  B10R1.58  N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O Z3335066881 [0,0,0,1,0,0|2,0,1]=4
33  B10R1.58  N[C@H]1C[C@H](C[C@H]1O)C(=O)O Z5062872452 [0,0,0,1,0,0|2,0,1]=4
34  B10R1.58  O=C(O)[C@@H]1C[C@@H]([C@@H](C1)O)O Z2704517658 [0,0,0,1,0,0|1,1,1]=4
35  B10R1.211  O=C(O)CCC(=O)C1CC1 Z838955870 [0,0,0,1,0,0|2,0,1]=4
36  B10R1.211  O=C(O)CNC(=O)C1CC1 Z85887287 [0,0,0,1,0,0|1,0,2]=4
37  B8R0.23  CC(=O)CC(=O)C(C)C Z1021460926 [0,0,0,0,1,0|2,0,1]=4
38  B8R0.23  CC(C)C(C)CC(=O)O Z234897253 [0,0,0,0,1,0|2,0,1]=4
39  B8R0.23  CC(C)C(N)CC(=O)O Z975823290 [0,0,0,0,1,0|2,0,1]=4
40  B8R0.23  CC(C)N(C)CC(=O)O Z763366300 [0,0,0,0,1,0|3,0,0]=4
41  B8R0.23  CN(C)C(=O)CC(=O)O Z963467438 [0,0,0,0,1,0|2,0,1]=4
42  B10R0.96  CC(N)CC(=O)NCC(=O)O Z760081580 [0,0,0,0,0,1|1,0,2]=4
43  B10R0.98  CC(C)C(=O)NCCC(=O)O Z85914336 [0,0,0,0,0,1|1,0,2]=4
44  B10R0.98  CC(N)C(=O)NCCC(=O)O Z760082274 [0,0,0,0,0,1|1,0,2]=4
45  B7R0.4  CCCCCC(=O)O Z104503532 [2,0,0,0,0,0|1,0,1]=4
46  B7R0.4  CCCNCC(=O)O Z744582718 [2,0,0,0,0,0|0,0,2]=4
47  B7R0.4  CCCOCC(=O)O Z406677750 [2,0,0,0,0,0|1,0,1]=4
48  B7R0.4  CCCSCC(=O)O Z228425458 [2,0,0,0,0,0|1,0,1]=4
49  B7R0.4  CCNCCC(=O)O Z1869802098 [2,0,0,0,0,0|2,0,0]=4
50  B7R0.4  CCOCCC(=O)O Z316258938 [2,0,0,0,0,0|2,0,0]=4
51  B7R0.4  CCSCCC(=O)O Z197206046 [2,0,0,0,0,0|2,0,0]=4
52  B7R0.4  O=C(O)CCCCS Z808230828 [2,0,0,0,0,0|1,0,1]=4
53  B7R0.6  CC(=O)CCC(=O)O Z104477318 [2,0,0,0,0,0|1,0,1]=4
54  B7R0.6  CC(=O)NCC(=O)O Z85886676 [2,0,0,0,0,0|0,0,2]=4
55  B7R0.6  CC(O)CCC(=O)O Z838959470 [2,0,0,0,0,0|1,0,1]=4
56  B7R0.6  O=C(O)CCC(=O)O Z57127453 [2,0,0,0,0,0|1,1,0]=4
57  B9R0.48  CCCC(=O)NCC(=O)O Z285193236 [1,1,0,0,0,0|0,0,2]=4
58  B9R0.48  CCNC(=O)CCC(=O)O Z90312637 [1,1,0,0,0,0|1,0,1]=4
59  B9R0.48  CCOC(=O)CCC(=O)O Z56896764 [1,1,0,0,0,0|1,0,1]=4
60  B9R0.48  CCOC(=O)NCC(=O)O Z64434253 [1,1,0,0,0,0|0,0,2]=4
61  B9R0.48  NCCC(=O)NCC(=O)O Z1901071297 [1,1,0,0,0,0|0,0,2]=4
62  B9R1.35  CC(C)C1=NNC(=O)O1 Z1198165279 [1,0,0,1,0,0|2,0,0]=4
63  B11R1.48  COC1=C(SC(=N1)C(=O)O)C Z2795963296 [0,1,0,1,0,0|0,0,2]=4
64  B7R0.2  CC/C(=C/C(=O)O)/C Z2583321519 [1,0,0,0,1,0|1,0,1]=4
65  B7R0.2  CCC(=O)CC(=O)C Z1013699870 [1,0,0,0,1,0|1,0,1]=4
66  B7R0.2  CCC(C)CC(=O)O Z352782882 [1,0,0,0,1,0|1,0,1]=4
67  B7R0.2  CCC(N)CC(=O)O Z1708090940 [1,0,0,0,1,0|1,0,1]=4
68  B7R0.2  CCN(C)CC(=O)O Z1459897022 [1,0,0,0,1,0|2,0,0]=4
69  B7R0.2  CNC(=O)CC(=O)O Z963467722 [1,0,0,0,1,0|1,0,1]=4
70  B7R0.2  NCC(O)CC(=O)O Z1255390571 [1,0,0,0,1,0|1,0,1]=4
71  B7R0.2  NC[C@@H](O)CC(=O)O Z1203578293 [1,0,0,0,1,0|1,0,1]=4
72  B7R0.2  NC[C@H](O)CC(=O)O Z1198160294 [1,0,0,0,1,0|1,0,1]=4