0 B8R0.9 O=C(O)CCC(CN)=O M10003359P [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 C=CC(O)CCCC M10067454P [1,0,0,0,0,0|2,0,1]=4 2 B7R0.4 CC(CCCCBr)=O M10113189P [1,0,0,0,0,0|2,0,1]=4 3 B7R0.4 CCCCCC(Cl)=O M10005436P [1,0,0,0,0,0|1,0,2]=4 4 B7R0.4 O=C(O)CCCC#N M10239045P [1,0,0,0,0,0|1,0,1]=3 5 B7R0.4 O=C(O)CCCCO M10123275P [1,0,0,0,0,0|1,0,1]=3 6 B7R0.4 O=C(O)CCOCC M10062024P [1,0,0,0,0,0|1,0,2]=4 7 B7R0.4 O=C(O)CNCCN M10183221P [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 O=C(O)COCCC M10276951P [1,0,0,0,0,0|1,0,2]=4 9 B7R0.4 O=C([O-])CCCCO M10233260P [1,0,0,0,0,0|1,0,2]=4 10 B7R0.6 C[S+](CCC(O)=O)C M10062116P [1,0,0,0,0,0|2,0,1]=4 11 B7R0.6 O=C(O)CCN(C)C M10133339P [1,0,0,0,0,0|2,0,1]=4 12 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O M10014819P [0,1,0,0,0,0|2,0,0]=3 13 B9R0.7 N[C@H](CCC(O)=O)C(O)=O M10005213P [0,1,0,0,0,0|1,0,0]=2 14 B9R0.7 O=C(O)CC[C@H](N)C(N)=O M10017277P [0,1,0,0,0,0|1,0,0]=2 15 B9R0.7 O=C(O)CNC(C(C)=C)=O M10180716P [0,1,0,0,0,0|2,0,1]=4 16 B9R1.35 N[C@@H]1C=C[C@H](C(O)=O)C1 M10732338P [0,0,0,1,0,0|0,0,0]=1 17 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 M10732337P [0,0,0,1,0,0|0,0,0]=1 18 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 M10737963P [0,0,0,1,0,0|0,0,0]=1 19 B9R1.35 O=C([C@@H]1NC[C@@H](O)C1)O M10758337P [0,0,0,1,0,0|2,0,1]=4 20 B9R1.35 O=C([C@@H]1NC[C@H](O)C1)O M10467856P [0,0,0,1,0,0|2,0,1]=4 21 B9R1.69 O=C1C(N)CCC(N1)=O M10042789P [0,0,0,1,0,0|2,0,0]=3 22 B9R1.69 O=C1C(N)CCC(N1)=O M11187066P [0,0,0,1,0,0|2,0,0]=3 23 B7R0.2 O=C(O)CC(O)CN M10190010P [0,0,0,0,1,0|2,0,1]=4 24 B7R0.2 O=C(O)C[C@@H](O)CN M10100168P [0,0,0,0,1,0|2,0,1]=4 25 B6R0.1 C=CC(O)CCC M10066392P [2,0,0,0,0,0|1,0,1]=4 26 B6R0.4 C#CCCC(O)=O M10083651P [2,0,0,0,0,0|0,0,2]=4 27 B6R0.4 C=CCCC(Cl)=O M10240332P [2,0,0,0,0,0|1,0,0]=3 28 B6R0.4 C=C\C=C\C(O)=O M10016890P [2,0,0,0,0,0|0,0,2]=4 29 B6R0.4 CC(C)CCC=O M10027096P [2,0,0,0,0,0|1,0,1]=4 30 B6R0.4 CC(CCC=C)=O M10003621P [2,0,0,0,0,0|1,0,0]=3 31 B6R0.4 CC(CCCBr)=O M10058337P [2,0,0,0,0,0|2,0,0]=4 32 B6R0.4 O=C(Cl)CCCBr M10023246P [2,0,0,0,0,0|2,0,0]=4 33 B6R0.4 O=C(O)CCC#N M10140304P [2,0,0,0,0,0|0,0,2]=4 34 B6R0.4 O=C(O)CCCCl M10016891P [2,0,0,0,0,0|1,0,0]=3 35 B6R0.4 O=C(O)CCOC M10045190P [2,0,0,0,0,0|1,0,1]=4 36 B6R0.4 O=C(O)CCSC M10017612P [2,0,0,0,0,0|1,0,1]=4 37 B6R0.4 O=C(O)COCC M10016894P [2,0,0,0,0,0|1,0,1]=4 38 B6R0.4 O=[Sn](CCCC)O M10042008P [2,0,0,0,0,0|1,0,1]=4 39 B6R0.6 C=CCCCCCl M10208182P [2,0,0,0,0,0|1,0,1]=4 40 B6R0.6 C=CCOCCO M10003808P [2,0,0,0,0,0|1,0,1]=4 41 B8R0.7 C#CCCCCC(O)=O M10212111P [1,1,0,0,0,0|0,0,2]=4 42 B8R0.7 C=CCCCCC(O)=O M10027121P [1,1,0,0,0,0|0,0,0]=2 43 B8R0.7 O=C(O)CCCCCN M10196151P [1,1,0,0,0,0|0,0,2]=4 44 B8R0.7 O=C(O)COCCCC M10044886P [1,1,0,0,0,0|0,0,2]=4 45 B8R0.7 O=C(O)COCCOC M10140131P [1,1,0,0,0,0|1,0,1]=4 46 B8R0.28 O=C(N)CCCC(N)=O M10036487P [1,1,0,0,0,0|2,0,0]=4 47 B8R0.28 O=C(O)CCCN(C)C M10436635P [1,1,0,0,0,0|1,0,1]=4 48 B8R0.28 O=C(O)COCC(O)=O M10003764P [1,1,0,0,0,0|2,0,0]=4 49 B8R0.28 [NH2+]=C(N)SCCC(O)=O M10073898P [1,1,0,0,0,0|2,0,0]=4 50 B8R0.23 CC(C)CC(O)C(O)=O M10012348P [1,1,0,0,0,0|1,0,1]=4 51 B8R0.23 CC(C)C[C@H](O)C(O)=O M10126214P [1,1,0,0,0,0|1,0,1]=4 52 B8R0.29 O=C(O)CCC(F)(F)F M10010362P [1,1,0,0,0,0|2,0,0]=4 53 B8R0.29 O=C(O)CCS(=O)(N)=O M10136857P [1,1,0,0,0,0|2,0,0]=4 54 B10R0.98 N[C@@H](CSCC(O)=O)C(O)=O M10185445P [0,1,0,0,0,1|1,0,0]=3 55 B10R0.98 O=C(O)[C@@H](N)CSCC(O)=O M10252786P [0,1,0,0,0,1|1,0,0]=3 56 B10R0.43 O=C(O)C(C)(C)CCC(O)=O M10018273P [0,2,0,0,0,0|2,0,0]=4 57 B8R1.1 O=C1N[C@@H](CO)CC1 M10421051P [1,0,0,1,0,0|1,0,1]=4 58 B8R1.1 O=C1N[C@H](CBr)CC1 M10447477P [1,0,0,1,0,0|1,0,1]=4 59 B8R1.1 O=C1N[C@H](CN)CC1 M10768385P [1,0,0,1,0,0|1,0,1]=4 60 B8R1.1 O=C1N[C@H](CO)CC1 M10148902P [1,0,0,1,0,0|1,0,1]=4 61 B8R1.2 C=CC1CC=CCC1 M10002808P [1,0,0,1,0,0|2,0,0]=4 62 B8R1.50 O=C1C(C(C)CC1)=O M10020173P [1,0,0,1,0,0|2,0,0]=4 63 B8R1.7 O=C(C1=COCC1)O M10633740P [1,0,0,1,0,0|1,0,1]=4 64 B8R1.7 O=C(C1CNCC1)O M10088532P [1,0,0,1,0,0|1,0,1]=4 65 B8R1.7 O=C(C1CNCC1)O M10307067P [1,0,0,1,0,0|1,0,1]=4 66 B8R1.7 O=C([C@@H]1COCC1)O M10797101P [1,0,0,1,0,0|1,0,1]=4 67 B8R1.7 O=C([C@@H]1NCC=C1)O M10302447P [1,0,0,1,0,0|1,0,0]=3 68 B8R1.7 O=C([C@H]1COCC1)O M10421829P [1,0,0,1,0,0|1,0,1]=4 69 B8R1.23 O=C(C1CC(C)C1)O M10293834P [1,0,0,1,0,0|1,0,1]=4 70 B8R1.23 O=C(C1CC(Cl)C1)O M10226501P [1,0,0,1,0,0|1,0,1]=4 71 B8R1.23 O=C(C1CC(N1)=O)O M10633721P [1,0,0,1,0,0|1,0,1]=4 72 B8R1.23 O=C(C1CC(O)C1)O M10825846P [1,0,0,1,0,0|1,0,1]=4 73 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O M10893713P [1,0,0,1,0,0|1,0,1]=4 74 B8R1.23 O=C([C@H]1C[C@H](O)C1)O M11127122P [1,0,0,1,0,0|1,0,1]=4 75 B8R1.77 O=C(C1C(C)(C)C1)O M10461324P [1,0,0,1,0,0|1,0,1]=4 76 B8R1.77 O=C(C1C(F)(F)C1)O M10667522P [1,0,0,1,0,0|2,0,0]=4 77 B8R1.77 O=C([C@@H]1C(C)(C)C1)O M10132109P [1,0,0,1,0,0|1,0,1]=4 78 B10R1.13 O=C(C1CCC(N)CC1)O M10036114P [0,0,0,1,0,1|0,0,2]=4 79 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O M10056733P [0,0,0,1,0,1|0,0,2]=4 80 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O M10200307P [0,0,0,1,0,1|0,0,2]=4 81 B10R1.349 O=C([C@H]1C[C@H](C(O)=O)C1)O M10105434P [0,1,0,1,0,0|2,0,0]=4 82 B10R1.66 O=C(O)CCC1=CC=CN1 M10875523P [0,1,0,1,0,0|0,0,1]=3 83 B6R0.2 CC(N)CC(O)=O M10187780P [1,0,0,0,1,0|0,0,1]=3 84 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [1,0,0,0,1,0|1,0,1]=4 85 B6R0.2 C[C@H](N)CC(O)=O M10057573P [1,0,0,0,1,0|0,0,1]=3 86 B6R0.2 C[C@H](N)CC(O)=O M10302309P [1,0,0,0,1,0|0,0,1]=3 87 B6R0.2 C[C@H](O)CC(O)=O M10084600P [1,0,0,0,1,0|1,0,1]=4 88 B6R0.3 N[C@@H](CS)C(O)=O M10201100P [0,0,0,0,2,0|1,0,1]=4 89 B6R0.3 N[C@H](CS)C(O)=O M10832565P [0,0,0,0,2,0|1,0,1]=4 90 B6R0.3 O=C(O)C(N)CS M10631134P [0,0,0,0,2,0|1,0,1]=4 91 B6R0.3 O=C(O)[C@@H](N)CCl M10187309P [0,0,0,0,2,0|1,0,1]=4