0 B9R0.34 C=C[C@@H](O)CC(=O)OCC AC6052 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.34 CCCC(C)CC(C)CC T70352 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.34 CCOC(=O)C[C@H](O)CBr 11423 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.34 CCOC(=O)C[C@H](O)CI CS2877 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.34 CCOC(=O)\C=C(/C)CBr H10647 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.1 CCNC(=O)NCCO AT23087 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.1 CCOC(=O)NCCN AT13715 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.1 CCOC(=O)\C=C\CN 86087 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.5 CC(C)OC(=O)CCS FD10479 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.5 CC(C)OC(=O)OCI D73860 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.5 CCCC(=O)CC(C)C T72726 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.6 CC[C@H](C)CCCCO T72651 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.19 CCC(C)CC(N)CO AT16871 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [1,0,0,0,0,0|1,0,0]=2 17 B8R0.19 COC(=O)CC(=O)CBr S11869 [1,0,0,0,0,0|2,0,1]=4 18 B10R0.2 CCCC(=O)CC(=O)CCC AC4162 [0,1,0,0,0,0|2,0,1]=4 19 B10R0.2 CCC[C@H](N)CC(=O)OCC N12292 [0,1,0,0,0,0|1,0,0]=2 20 B10R0.7 C=CC(C)(C)CC(=O)OCC 28251 [0,1,0,0,0,0|0,0,2]=3 21 B10R0.7 CCOC(=O)CS(=O)(=O)CC AC5826 [0,1,0,0,0,0|2,0,0]=3 22 B10R0.26 CCOC(=O)C[C@H](N)C(C)C F53416 [0,1,0,0,0,0|1,0,0]=2 23 B10R0.26 CCOC(=O)N[C@@H](C)C(=O)O 93835 [0,1,0,0,0,0|2,0,1]=4 24 B10R0.26 CCOC(=O)N[C@@H](C)C(=O)O 93836 [0,1,0,0,0,0|2,0,1]=4 25 B10R0.34 CCOC(=O)C=C(SC)SC AC8748 [0,1,0,0,0,0|1,0,2]=4 26 B10R0.35 CCOC(=O)[C@@H](Cl)C(=O)CC D87881 [0,1,0,0,0,0|1,0,1]=3 27 B10R1.35 CCN1C[C@@H](CN)CC1=O AT19151 [0,0,0,1,0,0|2,0,0]=3 28 B10R1.35 CCN1C[C@@H](CO)CC1=O AT19129 [0,0,0,1,0,0|2,0,0]=3 29 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO AT10667 [0,0,0,1,0,0|1,0,0]=2 30 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO AT11298 [0,0,0,1,0,0|1,0,0]=2 31 B10R1.137 CCNC(=O)OC1CNC1 AT23015 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.485 C[C@]1(C#N)CCCC(=O)C1 D77342 [0,0,0,1,0,0|2,0,1]=4 33 B8R0.3 C#C[C@@H](O)C(=O)OCC T71981 [0,0,0,0,1,0|1,0,2]=4 34 B8R0.3 C=C(CC)C(=O)OCC 97591 [0,0,0,0,1,0|0,0,2]=3 35 B8R0.3 C=C(CCl)C(=O)OCC T70430 [0,0,0,0,1,0|1,0,2]=4 36 B8R0.3 CCCC(C)C(C)CC T71461 [0,0,0,0,1,0|2,0,1]=4 37 B8R0.3 CCOC(=O)[C@@H](C)CN A10614 [0,0,0,0,1,0|1,0,0]=2 38 B8R0.3 CCOC(=O)[C@@H](C)CO AB7220 [0,0,0,0,1,0|1,0,0]=2 39 B8R0.3 CCOC(=O)[C@@H](Cl)C=N L10141 [0,0,0,0,1,0|2,0,1]=4 40 B8R0.3 CCOC(=O)[C@H](C)NC D87311 [0,0,0,0,1,0|1,0,0]=2 41 B8R0.3 CCOC(=O)[C@H](C)OC 90999 [0,0,0,0,1,0|1,0,0]=2 42 B8R0.3 CCOC(=O)\C(Cl)=N\C AC2255 [0,0,0,0,1,0|2,0,1]=4 43 B7R0.3 CCC(=O)OCOC D72002 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.3 CCCNC(=O)CN C78397 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.3 CNOCC(=O)OC AT14517 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.3 COC(=N)CCCCl C76486 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.3 COC(=O)CCCN 32601 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.3 COC(=O)NCCN AT13709 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [2,0,0,0,0,0|0,0,1]=3 50 B7R0.7 CCOC(=O)CCN F19878 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.7 CCSC(=O)OCI C77591 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.2 CC(=O)N[C@@H](C)CO C91213 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.2 CC(C)CC(=O)CN F50535 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.2 CC\C(C)=C/C(=O)O 64163 [2,0,0,0,0,0|0,0,2]=4 56 B7R0.2 COC(=O)CN(C)C F21349 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.2 COC(=O)C[C@H](C)N N13255 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.2 C[C@H](CCl)CC(=O)Cl AC1923 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.2 N[C@H](CO)CC(=O)O FD10277 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.2 N[C@H](CO)CC(=O)O FD10309 [2,0,0,0,0,0|2,0,0]=4 61 B9R0.4 CCOCC(=O)OC(C)C 94622 [1,1,0,0,0,0|1,0,0]=3 62 B9R0.5 C#CCOCC(=O)OCC AT18918 [1,1,0,0,0,0|0,0,2]=4 63 B9R0.5 CCOC(=O)CCCNC AB10379 [1,1,0,0,0,0|0,0,0]=2 64 B9R0.5 CCOC(=O)CNCCN FD21627 [1,1,0,0,0,0|1,0,0]=3 65 B9R0.48 CCOC(=O)\C=C\C(C)C W15771 [1,1,0,0,0,0|0,0,2]=4 66 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O 93013 [1,1,0,0,0,0|1,0,1]=4 67 B9R0.44 CCOC(=O)NC(C)(C)C AC9360 [1,1,0,0,0,0|1,0,0]=3 68 B9R0.1 CC[C@H](C)CCCC(C)C T70540 [1,1,0,0,0,0|1,0,1]=4 69 B9R0.46 CCCCCC[C@@H](C)CC T72672 [1,1,0,0,0,0|1,0,1]=4 70 B9R0.46 CC[C@H](C)CCCCCO T71591 [1,1,0,0,0,0|1,0,1]=4 71 B9R0.22 COC(=O)CC(C)(C)C#N AT13971 [1,1,0,0,0,0|1,0,1]=4 72 B9R0.27 CCC(=O)[C@H](Cl)C(=O)OC D86386 [1,1,0,0,0,0|1,0,1]=4 73 B9R0.27 CC[C@H](C)[C@H](N)C(=O)NO FD21828 [1,1,0,0,0,0|2,0,0]=4 74 B9R0.42 COC(=O)C[C@H](C)C(=O)O FD10315 [1,1,0,0,0,0|1,0,1]=4 75 B9R0.19 CCOC(=O)C(F)(F)CO C15704 [0,1,0,0,1,0|2,0,0]=4 76 B9R0.19 CCOC(=O)[C@@](C)(N)CC D78556 [0,1,0,0,1,0|0,0,0]=2 77 B9R0.37 CCOC(=O)[C@@H](CC)CN 97590 [0,1,0,0,1,0|0,0,0]=2 78 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CC E72416 [0,1,0,0,0,1|0,0,1]=3 79 B11R0.1 CCOC(=O)C[C@H](C)C[N+](=O)[O-] A10550 [0,2,0,0,0,0|1,0,0]=3 80 B11R0.5 C#CCCC(=O)CC(=O)OCC 89837 [0,2,0,0,0,0|1,0,1]=4 81 B11R0.54 CCOC(=O)C[C@H](N)C(F)(F)F F30509 [0,2,0,0,0,0|2,0,0]=4 82 B11R0.54 CCOC(=O)C[C@H](N)C(F)(F)F F53327 [0,2,0,0,0,0|2,0,0]=4 83 B11R0.54 CCOC(=O)C[C@H](O)C(C)(C)C E72436 [0,2,0,0,0,0|1,0,0]=3 84 B11R0.119 CCC(=O)CC(=O)OC(C)(C)C C91130 [0,2,0,0,0,0|1,0,1]=4 85 B11R0.119 C[C@@H](CF)NC(=O)OC(C)(C)C AC5310 [0,2,0,0,0,0|2,0,0]=4 86 B11R0.119 C[C@@H](CI)NC(=O)OC(C)(C)C C77942 [0,2,0,0,0,0|2,0,0]=4 87 B11R0.119 C[C@@H](CI)NC(=O)OC(C)(C)C C78228 [0,2,0,0,0,0|2,0,0]=4 88 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.15 CCN1CCCNC1=O AT26678 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.15 CC[C@H]1CNCCC1=O O11002 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.33 COC[C@H]1CCNC1=O AT19084 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.33 O=C1NCC[C@@H]1CCO AT19068 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.33 O=C1OCCN1CCBr AT18747 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.73 CCOC(=O)C1CSC1 F18444 [1,0,0,1,0,0|1,0,0]=3 96 B9R1.73 CCOC(=O)[C@@H]1CCN1 C16350 [1,0,0,1,0,0|1,0,0]=3 97 B9R1.73 CCOC(=O)[C@@H]1CCN1 D87602 [1,0,0,1,0,0|1,0,0]=3 98 B9R1.34 CC1CC(=O)CC(C)N1 F12422 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.34 CC1CC(=O)CC(C)S1 89934 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 S11085 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 P14538 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.41 CC(C)[C@@H]1CCNC1=O D72753 [1,0,0,1,0,0|1,0,0]=3 103 B9R1.41 CN(C)[C@H]1CCNC1=O AT19092 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.66 CC1(C)CC(=O)CCS1 89936 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.66 CC1(C)CC=CC(=O)C1 F12457 [1,0,0,1,0,0|1,0,1]=4 106 B9R1.3 CC1CCCC(C)C1C T71900 [1,0,0,1,0,0|1,0,1]=4 107 B9R1.11 CCC(C)C1CCNC1 D72006 [1,0,0,1,0,0|1,0,1]=4 108 B9R1.37 CC1C(O)CC(=O)N1C AT19118 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.125 C[C@]1(CN)CCC(=O)N1 AT19164 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.125 C[C@]1(CN)CCC(=O)N1 P12541 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.125 C[C@]1(CO)CCC(=O)N1 P12670 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.125 C[C@]1(CO)COC(=O)N1 AT13637 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.74 CCOC(=O)C1(Cl)CC1 96432 [0,0,0,1,1,0|1,0,0]=3 114 B11R1.15 C=C1CC[C@H](C(=O)OCC)C1 89906 [0,0,0,1,0,1|0,0,2]=4 115 B11R1.15 CCOC(=O)C1CCC(F)C1 AC4965 [0,0,0,1,0,1|1,0,0]=3 116 B11R1.15 CCOC(=O)[C@@H]1CCC(=S)N1 AC6921 [0,0,0,1,0,1|1,0,1]=4 117 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 C16215 [0,0,0,1,0,1|0,0,0]=2 118 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 Y10153 [0,0,0,1,0,1|0,0,0]=2 119 B11R1.225 CCC(C)C1NC(=O)OC1=O AC6406 [0,0,0,1,0,1|1,0,1]=4 120 B11R1.225 CC[C@H](C)[C@@H]1NC(=O)OC1=O AC5937 [0,0,0,1,0,1|1,0,1]=4 121 B11R1.225 CC[C@H](C)[C@@H]1NC(=O)OC1=O AC6178 [0,0,0,1,0,1|1,0,1]=4 122 B11R1.289 CCOC(=O)CCC1CCC1 F52482 [0,0,0,1,0,1|0,0,0]=2 123 B11R1.822 CCOC(=O)C1CC(C=O)C1 C91050 [0,0,0,1,0,1|1,0,1]=4 124 B11R1.822 CCOC(=O)C1CC(CO)C1 C91896 [0,0,0,1,0,1|1,0,0]=3 125 B11R1.30 CCOC(=O)C[C@H]1CCCN1 F14054 [0,1,0,1,0,0|0,0,0]=2 126 B11R1.30 CCOC(=O)C[C@H]1CCCN1 F14113 [0,1,0,1,0,0|0,0,0]=2 127 B11R1.199 CCOC(=O)C1CSCC1N 69819 [0,1,0,1,0,0|1,0,0]=3 128 B11R1.199 CCOC(=O)[C@@H]1NCC=C1C F12646 [0,1,0,1,0,0|0,0,2]=4 129 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N 98153 [0,1,0,1,0,0|1,0,0]=3 130 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AC7745 [0,1,0,1,0,0|1,0,0]=3 131 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1C 72681 [0,1,0,1,0,0|0,0,0]=2 132 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53810 [0,1,0,1,0,0|1,0,0]=3 133 B11R1.325 CC1CC(=O)CC(C)(C)C1O E71662 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.185 CCCN1C[C@@H](CN)CC1=O AT19152 [0,1,0,1,0,0|2,0,0]=4 135 B11R1.185 CCCN1C[C@@H](CN)CC1=O AT19154 [0,1,0,1,0,0|2,0,0]=4 136 B11R1.834 C=CC1CC1(N)C(=O)OCC C11964 [0,1,0,1,0,0|0,0,2]=4 137 B11R1.834 C=CC1CC1(N)C(=O)OCC W17568 [0,1,0,1,0,0|0,0,2]=4 138 B11R1.293 CON(C)C(=O)CC1CCC1 96081 [0,1,0,1,0,0|2,0,0]=4 139 B11R2.1478 O=C1CCNC2(CCC2)C1 F13787 [0,0,0,2,0,0|2,0,0]=4 140 B11R2.359 O=C1CC2CCC(CN1)N2 AT25155 [0,0,0,2,0,0|2,0,0]=4 141 B7R0.5 CC(C)C(=O)NCO 81303 [1,0,0,0,1,0|2,0,0]=4 142 B7R0.5 CCOC(=N)C(C)C W12825 [1,0,0,0,1,0|1,0,0]=3 143 B7R0.5 CN(C)C(=O)OCCl C77477 [1,0,0,0,1,0|2,0,0]=4 144 B7R0.10 C=C(CC)C(=O)OC 82635 [1,0,0,0,1,0|0,0,2]=4 145 B7R0.10 COC(=O)[C@@H](Br)CF AT23055 [1,0,0,0,1,0|2,0,0]=4 146 B7R0.10 COC(=O)[C@@H](C)C=O AC6281 [1,0,0,0,1,0|1,0,1]=4 147 B7R0.10 COC(=O)[C@@H](F)CN 94842 [1,0,0,0,1,0|2,0,0]=4 148 B7R0.10 COC(=O)[C@@H](N)CO D87908 [1,0,0,0,1,0|2,0,0]=4 149 B7R0.10 COC(=O)[C@@H](O)CN A11345 [1,0,0,0,1,0|2,0,0]=4 150 B7R0.10 COC(=O)[C@H](C)OC 29231 [1,0,0,0,1,0|1,0,0]=3 151 B7R0.10 [C-]#[N+][C@@H](C)C(=O)OC AC8795 [1,0,0,0,1,0|1,0,1]=4