0 B10R0.2 C(C(=O)OCC)=C(\N)OCC CS-W004856 [0,0,0,0,0,0|1,0,1]=2 1 B10R0.2 CCCC(=O)CC(=O)OCC CS-W016203 [0,0,0,0,0,0|1,0,0]=1 2 B10R0.2 CCCC(O)CC(=O)OCC CS-W013272 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.2 CCC[C@H](O)CC(=O)OCC CS-0834508 [0,0,0,0,0,0|1,0,2]=3 4 B10R0.2 CCOC(=N)CC(=N)OCC CS-0039263 [0,0,0,0,0,0|2,0,0]=2 5 B10R0.2 CCOC(=N)CC(=O)OCC CS-W019993 [0,0,0,0,0,0|1,0,0]=1 6 B10R0.2 CCOC(=O)CC(=O)COC CS-W022693 [0,0,0,0,0,0|2,0,0]=2 7 B10R0.2 CCOC(=O)NC(=O)CC#N CS-W001933 [0,0,0,0,0,0|3,0,1]=4 8 B10R0.2 CCOC(=O)OC(=O)OCC CS-0014816 [0,0,0,0,0,0|1,0,0]=1 9 B10R0.2 C\C=C\C(=O)CC(=O)OCC CS-0700573 [0,0,0,0,0,0|1,0,1]=2 10 B9R0.5 C(C)=C/C=CC(=O)OCC CS-W014374 [1,0,0,0,0,0|1,0,2]=4 11 B9R0.5 CCC\C=C\C(=O)OCC CS-W018283 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.5 CCOC(=O)CCCCBr CS-W008658 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.5 CCOC(=O)CCCCN CS-W022699 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.5 CCOC(=O)COCCCl CS-W018917 [1,0,0,0,0,0|3,0,0]=4 15 B9R0.5 CCOCCC(=O)OCC CS-W013312 [1,0,0,0,0,0|0,0,1]=2 16 B9R0.5 CCO\C=C\C(=O)OCC CS-0046174 [1,0,0,0,0,0|0,0,1]=2 17 B9R0.5 CCO\C=C\C(=O)OCC CS-W002052 [1,0,0,0,0,0|0,0,1]=2 18 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [1,0,0,0,0,0|1,0,0]=2 19 B9R0.34 CCOC(=O)CC(=N)NO CS-0197481 [1,0,0,0,0,0|3,0,0]=4 20 B9R0.34 CCOC(=O)CC(=O)CC CS-W019881 [1,0,0,0,0,0|0,0,0]=1 21 B9R0.34 CCOC(=O)CC(=O)CCl CS-D1440 [1,0,0,0,0,0|1,0,0]=2 22 B9R0.34 CCOC(=O)CC(=O)NC CS-0151538 [1,0,0,0,0,0|1,0,0]=2 23 B9R0.34 CCOC(=O)CC(=O)NN CS-W004175 [1,0,0,0,0,0|2,0,0]=3 24 B9R0.34 CCOC(=O)CC(=O)O[K] CS-D1444 [1,0,0,0,0,0|1,0,0]=2 25 B9R0.34 CCOC(=O)C[C@@H](O)CCl CS-W010802 [1,0,0,0,0,0|1,0,2]=4 26 B9R0.34 CCOC(=O)C[C@H](O)CCl CS-W017853 [1,0,0,0,0,0|1,0,2]=4 27 B9R0.34 CCOC(=O)NC(=O)CCl CS-0093623 [1,0,0,0,0,0|2,0,0]=3 28 B9R0.34 CCOC(=O)\C=C(/C)CBr CS-0106214 [1,0,0,0,0,0|2,0,1]=4 29 B9R0.34 COCC(=O)CC(=O)OC CS-W007767 [1,0,0,0,0,0|2,0,0]=3 30 B11R0.177 CCOC(=O)C(=O)C(=O)OCC CS-0046068 [0,1,0,0,0,0|0,0,1]=2 31 B11R0.177 CCOC(=O)C(=O)C(=O)OCC CS-W017518 [0,1,0,0,0,0|0,0,1]=2 32 B11R0.177 CCOC(=O)C(Br)C(=O)OCC CS-B0964 [0,1,0,0,0,0|0,0,0]=1 33 B11R0.177 CCOC(=O)C(C)C(=O)OCC CS-0042420 [0,1,0,0,0,0|0,0,0]=1 34 B11R0.177 CCOC(=O)C(Cl)C(=O)OCC CS-W010637 [0,1,0,0,0,0|0,0,0]=1 35 B11R0.177 CCOC(=O)C(F)C(=O)OCC CS-W002046 [0,1,0,0,0,0|0,0,0]=1 36 B11R0.177 CCOC(=O)C(N)C(=O)OCC CS-W019859 [0,1,0,0,0,0|0,0,0]=1 37 B11R1.30 CCOC(=O)CN1CCCC1 CS-0207255 [0,0,0,1,0,0|3,0,0]=4 38 B11R1.199 CCOC(=O)C1=CNOC1=O CS-0568050 [0,0,0,1,0,0|1,0,2]=4 39 B11R1.199 CCOC(=O)C1CCCC1=O CS-D1430 [0,0,0,1,0,0|1,0,0]=2 40 B11R1.199 CCOC(=O)C1CCCC1O CS-0465821 [0,0,0,1,0,0|1,0,2]=4 41 B11R1.199 CCOC(=O)C1CCNC1=O CS-W016223 [0,0,0,1,0,0|1,0,0]=2 42 B11R1.199 CCOC(=O)C1CCOC1=O CS-0043923 [0,0,0,1,0,0|0,0,0]=1 43 B11R1.199 CCOC(=O)C1CNCC1=O CS-WAA0319 [0,0,0,1,0,0|2,0,0]=3 44 B11R1.199 CCOC(=O)C1COCC1=O CS-W001012 [0,0,0,1,0,0|2,0,0]=3 45 B11R1.199 CCOC(=O)C1CSCC1=O CS-0053991 [0,0,0,1,0,0|2,0,0]=3 46 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N CS-0101407 [0,0,0,1,0,0|2,0,1]=4 47 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N CS-WAA0113 [0,0,0,1,0,0|2,0,1]=4 48 B11R1.334 CCOC(=O)CC(=O)C1CC1 CS-W009178 [0,0,0,1,0,0|1,0,0]=2 49 B11R1.334 CCOC(=O)CC(O)C1CC1 CS-0225022 [0,0,0,1,0,0|1,0,2]=4 50 B9R0.35 CCCC(Br)C(=O)OCC CS-W015179 [0,0,0,0,1,0|2,0,1]=4 51 B9R0.35 CCC[C@@H](N)C(=O)OCC CS-0539079 [0,0,0,0,1,0|2,0,1]=4 52 B9R0.35 CCC[C@H](N)C(=O)OCC CS-M0539 [0,0,0,0,1,0|2,0,1]=4 53 B9R0.35 CCOC(=N)C(=O)OCC CS-W006056 [0,0,0,0,1,0|1,0,0]=2 54 B9R0.35 CCOC(=O)C(=O)[CH-]C#N CS-0151551 [0,0,0,0,1,0|2,0,1]=4 55 B9R0.35 CCOC(=O)C(=O)[CH-]C#N CS-0151908 [0,0,0,0,1,0|2,0,1]=4 56 B9R0.35 CCOC(=O)C(Cl)OCC CS-0663093 [0,0,0,0,1,0|1,0,1]=3 57 B11R0.62 CCOC(=O)C#CC(=O)OCC CS-W020105 [0,0,0,0,0,1|0,0,1]=2 58 B11R0.62 CCOC(=O)CCC(=O)OCC CS-0015811 [0,0,0,0,0,1|0,0,0]=1 59 B11R0.62 CCOC(=O)NNC(=O)OCC CS-0130626 [0,0,0,0,0,1|1,0,0]=2 60 B11R0.62 CCOC(=O)\C=C/C(=O)OCC CS-0017148 [0,0,0,0,0,1|0,0,1]=2 61 B11R0.62 CCOC(=O)\C=C\C(=O)OCC CS-W010772 [0,0,0,0,0,1|0,0,1]=2 62 B8R0.1 C(CBr)=CC(=O)OCC CS-W007837 [2,0,0,0,0,0|1,0,1]=4 63 B8R0.1 CCOC(=O)CCCBr CS-W020133 [2,0,0,0,0,0|1,0,1]=4 64 B8R0.1 CCOC(=O)CCCI CS-0029516 [2,0,0,0,0,0|1,0,1]=4 65 B8R0.1 CCOC(=O)CCCN CS-W010794 [2,0,0,0,0,0|1,0,1]=4 66 B8R0.1 CCOCC(=O)OCC CS-0151430 [2,0,0,0,0,0|0,0,0]=2 67 B8R0.6 CCC\C=C\C(=O)OC CS-W013465 [2,0,0,0,0,0|1,0,1]=4 68 B8R0.5 CCOC(=O)CC(=N)N CS-W003345 [2,0,0,0,0,0|2,0,0]=4 69 B8R0.5 CCOC(=O)CC(=N)S CS-W005154 [2,0,0,0,0,0|1,1,0]=4 70 B8R0.5 CCOC(=O)CC(=O)O CS-0016016 [2,0,0,0,0,0|0,0,0]=2 71 B8R0.5 CCOC(=O)CC(C)=O CS-0016216 [2,0,0,0,0,0|0,0,0]=2 72 B8R0.5 CCOC(=O)CC(C)Br CS-0197403 [2,0,0,0,0,0|1,0,1]=4 73 B8R0.5 CCOC(=O)CC(C)N CS-0030781 [2,0,0,0,0,0|1,0,1]=4 74 B8R0.5 CCOC(=O)CC(C)O CS-W013417 [2,0,0,0,0,0|0,0,2]=4 75 B8R0.5 CCOC(=O)CC(N)=O CS-W002214 [2,0,0,0,0,0|1,0,0]=3 76 B8R0.5 CCOC(=O)CN(C)C CS-W013421 [2,0,0,0,0,0|2,0,0]=4 77 B8R0.5 CCOC(=O)C[C@@H](C)N CS-0162169 [2,0,0,0,0,0|1,0,1]=4 78 B8R0.5 CCOC(=O)C[C@H](C)N CS-0095476 [2,0,0,0,0,0|1,0,1]=4 79 B8R0.5 CCOC(=O)C[C@H](C)O CS-0112519 [2,0,0,0,0,0|0,0,2]=4 80 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS-0000037 [2,0,0,0,0,0|1,0,1]=4 81 B8R0.5 CCOC(=O)C[S+](C)C CS-0167158 [2,0,0,0,0,0|2,0,0]=4 82 B8R0.5 CCOC(=O)\C=C(\C)I CS-0130425 [2,0,0,0,0,0|1,0,1]=4 83 B8R0.5 CCOC(=O)\C=C(\C)N CS-0031464 [2,0,0,0,0,0|1,0,1]=4 84 B8R0.5 CCOC(=O)\C=C(\C)N CS-W011120 [2,0,0,0,0,0|1,0,1]=4 85 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [2,0,0,0,0,0|0,0,0]=2 86 B8R0.19 CCC(=O)CC(=O)OC CS-W011110 [2,0,0,0,0,0|0,0,0]=2 87 B8R0.19 CC[C@@H](O)CC(=O)OC CS-0852565 [2,0,0,0,0,0|0,0,2]=4 88 B8R0.19 COC(=O)CC(=O)CCl CS-0044248 [2,0,0,0,0,0|1,0,0]=3 89 B8R0.19 COC(=O)CC(=O)OC CS-0019394 [2,0,0,0,0,0|0,0,0]=2 90 B8R0.19 COC(=O)CC(=O)O[K] CS-M3561 [2,0,0,0,0,0|1,0,0]=3 91 B8R0.19 O=C(CC(=O)O[Na])O[Na] CS-W017881 [2,0,0,0,0,0|2,0,0]=4 92 B10R0.1 CCCCCCC(=O)OCC CS-W010893 [1,1,0,0,0,0|1,0,1]=4 93 B10R0.1 CCOC(=O)CCCCCBr CS-W022710 [1,1,0,0,0,0|1,0,1]=4 94 B10R0.1 CCOC(=O)CCCCCO CS-W023138 [1,1,0,0,0,0|1,0,1]=4 95 B10R0.1 CCOC(=O)COCCCCl CS-0163231 [1,1,0,0,0,0|2,0,0]=4 96 B10R0.1 CCOCCCC(=O)OCC CS-0904341 [1,1,0,0,0,0|0,0,1]=3 97 B10R0.19 CCO\C=C(/C)C(=O)OCC CS-0037394 [1,1,0,0,0,0|0,0,1]=3 98 B10R0.18 C#CCCC(=O)CC(=O)OC CS-0038476 [1,1,0,0,0,0|1,0,1]=4 99 B10R0.18 CCCCC(=O)CC(=O)OC CS-0152392 [1,1,0,0,0,0|1,0,0]=3 100 B10R0.18 CCOCC(=O)CC(=O)OC CS-0043415 [1,1,0,0,0,0|0,0,0]=2 101 B10R0.18 COCCC(=O)CC(=O)OC CS-0187518 [1,1,0,0,0,0|1,0,0]=3 102 B10R0.26 CCOC(=O)CC(=O)C(C)C CS-W016205 [1,1,0,0,0,0|0,0,0]=2 103 B10R0.26 CCOC(=O)CC(=O)C(F)F CS-W009248 [1,1,0,0,0,0|1,0,0]=3 104 B10R0.34 CCOC(=O)CN(CC)CC CS-0205225 [1,1,0,0,0,0|2,0,0]=4 105 B10R0.35 CCOC(=O)C(C)C(=O)CC CS-0121777 [1,1,0,0,0,0|0,0,0]=2 106 B10R0.35 CCOC(=O)C(C)C(=O)O[K] CS-0042422 [1,1,0,0,0,0|1,0,0]=3 107 B10R0.35 CCOC(=O)C(F)C(=O)CC CS-0020726 [1,1,0,0,0,0|0,0,0]=2 108 B10R0.44 COC(=O)CC(=O)CC(C)=O CS-0137250 [1,1,0,0,0,0|1,0,1]=4 109 B10R0.44 COC(=O)CC(=O)CC(C)C CS-W000361 [1,1,0,0,0,0|1,0,0]=3 110 B10R0.32 CCOC(=O)C(=O)CC(C)=O CS-0007580 [0,1,0,0,1,0|1,0,1]=4 111 B12R0.69 C=C(CC(=O)OCC)C(=O)OCC CS-0205160 [0,1,0,0,0,1|0,0,0]=2 112 B12R0.69 CCOC(=O)C(C)SC(=S)OCC CS-0379880 [0,1,0,0,0,1|0,1,0]=3 113 B12R0.69 CCOC(=O)CC(=O)C(=O)OCC CS-W016821 [0,1,0,0,0,1|0,0,0]=2 114 B12R0.69 CCOC(=O)CC(O)C(=O)OCC CS-0455391 [0,1,0,0,0,1|0,0,0]=2 115 B12R0.69 CCOC(=O)C[C@@H](N)C(=O)OCC CS-0151876 [0,1,0,0,0,1|0,0,0]=2 116 B12R0.69 CCOC(=O)C[C@H](N)C(=O)OCC CS-W009503 [0,1,0,0,0,1|0,0,0]=2 117 B12R0.69 CCOC(=O)[CH-]C(=O)C(=O)OCC CS-W019382 [0,1,0,0,0,1|0,0,1]=3 118 B12R0.69 [C@@H](O)(CC(=O)OCC)C(=O)OCC CS-W015897 [0,1,0,0,0,1|0,0,0]=2 119 B12R0.3 CC(C)CC(=O)CC(=O)CC(C)C CS-0154255 [0,2,0,0,0,0|2,0,0]=4 120 B12R0.3 CC(C)OC(=O)CC(=O)OC(C)C CS-0017145 [0,2,0,0,0,0|0,0,0]=2 121 B12R0.78 CCOC(=O)CC(=O)CC(C)(C)C CS-0122093 [0,2,0,0,0,0|1,0,0]=3 122 B12R0.78 CCOC(=O)CC(=O)OC(C)(C)C CS-0015722 [0,2,0,0,0,0|0,0,0]=2 123 B12R0.8 CC=C(C(=O)OCC)C(=O)OCC CS-W016906 [0,2,0,0,0,0|0,0,1]=3 124 B12R0.8 CCOC(=O)C(=CN)C(=O)OCC CS-W004732 [0,2,0,0,0,0|0,0,1]=3 125 B12R0.8 CCOC(=O)C(CC)C(=O)OCC CS-0075087 [0,2,0,0,0,0|0,0,0]=2 126 B12R0.8 CCOC(=O)\C(C#N)=C(/C)OCC CS-0198686 [0,2,0,0,0,0|1,0,1]=4 127 B12R0.731 CCOC(=O)C(C)(Br)C(=O)OCC CS-W001079 [0,2,0,0,0,0|0,0,0]=2 128 B12R0.731 CCOC(=O)C(C)(C)C(=O)OCC CS-0011538 [0,2,0,0,0,0|0,0,0]=2 129 B12R0.731 CCOC(=O)C(C)(F)C(=O)OCC CS-0151895 [0,2,0,0,0,0|0,0,0]=2 130 B12R0.22 CCOC(=O)CC(OCC)OCC CS-W015890 [0,2,0,0,0,0|0,0,2]=4 131 B10R1.10 CCOC1=CC(=O)CCC1 CS-0100015 [1,0,0,1,0,0|1,0,1]=4 132 B10R1.11 CCOC(=O)C1=CCCC1 CS-0199679 [1,0,0,1,0,0|1,0,1]=4 133 B10R1.11 CCOC(=O)C1CCCC1 CS-0235375 [1,0,0,1,0,0|1,0,1]=4 134 B10R1.11 CCOC(=O)C1CCCO1 CS-0109401 [1,0,0,1,0,0|2,0,0]=4 135 B10R1.11 CCOC(=O)C1CCNC1 CS-W003865 [1,0,0,1,0,0|1,0,1]=4 136 B10R1.11 CCOC(=O)[C@@H]1CCCN1 CS-0120026 [1,0,0,1,0,0|2,0,0]=4 137 B10R1.11 CCOC(=O)[C@@H]1CCNC1 CS-0187945 [1,0,0,1,0,0|1,0,1]=4 138 B10R1.11 CCOC(=O)[C@H]1CCCN1 CS-0120429 [1,0,0,1,0,0|2,0,0]=4 139 B10R1.137 CCOC(=O)C=C1CCC1 CS-0038534 [1,0,0,1,0,0|1,0,1]=4 140 B10R1.138 CCOC(=O)CNC1CC1 CS-0249130 [1,0,0,1,0,0|2,0,0]=4 141 B10R1.138 CCOC(=O)\C=C\C1CC1 CS-0198295 [1,0,0,1,0,0|1,0,1]=4 142 B10R1.134 COC(=O)CC(=O)C1CC1 CS-W007911 [1,0,0,1,0,0|1,0,0]=3 143 B10R1.149 COC(=O)C1CCCC1=O CS-0007582 [1,0,0,1,0,0|1,0,0]=3 144 B10R1.149 COC(=O)C1CCOC1=O CS-0077660 [1,0,0,1,0,0|0,0,0]=2 145 B10R1.149 COC(=O)C1COCC1=O CS-D0559 [1,0,0,1,0,0|2,0,0]=4 146 B10R1.149 COC(=O)C1CSCC1=O CS-0106054 [1,0,0,1,0,0|2,0,0]=4 147 B10R1.149 COC(=O)C1SCCC1=O CS-W014330 [1,0,0,1,0,0|2,0,0]=4 148 B10R1.2 CCN1CCNC(=O)C1=O CS-W011020 [0,0,0,1,1,0|2,0,0]=4 149 B12R1.17 CCOC(=O)C1CC(=O)CCO1 CS-0049451 [0,0,0,1,0,1|2,0,0]=4 150 B12R1.17 CCOC(=O)C1CCCC(=O)C1 CS-D0405 [0,0,0,1,0,1|1,0,0]=3 151 B12R1.313 CCOC(=O)C1CC(=O)C=C1C CS-0137227 [0,0,0,1,0,1|1,0,1]=4 152 B12R1.318 CCCC(=O)NC1CCOC1=O CS-0063260 [0,0,0,1,0,1|1,0,0]=3 153 B12R1.318 CCCC(=O)N[C@H]1CCOC1=O CS-0064384 [0,0,0,1,0,1|1,0,0]=3 154 B12R1.318 CCOC(=O)CC1CCCC1=O CS-W008633 [0,0,0,1,0,1|1,0,0]=3 155 B12R1.318 CCOC(=O)CN1CCCC1=O CS-0145462 [0,0,0,1,0,1|1,0,0]=3 156 B12R1.318 CCOC(=O)CN1CCOC1=O CS-0209951 [0,0,0,1,0,1|0,0,0]=2 157 B12R1.521 CCOC(=O)CC(=O)CC1CC1 CS-0071562 [0,1,0,1,0,0|1,0,0]=3 158 B12R1.308 CCOC(=O)C1CCCCC1=O CS-M0078 [0,1,0,1,0,0|1,0,0]=3 159 B12R1.308 CCOC(=O)C1CCCNC1=O CS-W001549 [0,1,0,1,0,0|1,0,0]=3 160 B12R1.308 CCOC(=O)C1CCNCC1=O CS-W022675 [0,1,0,1,0,0|1,0,0]=3 161 B12R1.308 CCOC(=O)C1CCOCC1=O CS-0055050 [0,1,0,1,0,0|0,0,0]=2 162 B12R1.308 CCOC(=O)C1CNCCC1=O CS-W001848 [0,1,0,1,0,0|1,0,0]=3 163 B12R1.519 CCOC(=O)CC(=O)C1CCC1 CS-0104189 [0,1,0,1,0,0|1,0,0]=3 164 B12R1.1618 CCOC(=O)CC1(C)OCCO1 CS-W005344 [0,1,0,1,0,0|0,0,2]=4 165 B12R1.3393 CCOC(=O)C1(C)CCCC1=O CS-0061539 [0,1,0,1,0,0|1,0,0]=3 166 B12R2.7420 O=C(CC(=O)C1CC1)C2CC2 CS-0107083 [0,0,0,2,0,0|2,0,0]=4 167 B8R0.3 C=C(CBr)C(=O)OCC CS-W015793 [1,0,0,0,1,0|2,0,0]=4 168 B8R0.3 C=C(CO)C(=O)OCC CS-W005253 [1,0,0,0,1,0|2,0,0]=4 169 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [1,0,0,0,1,0|0,0,0]=2 170 B8R0.3 CCOC(=O)C(=O)NN CS-W018576 [1,0,0,0,1,0|2,0,0]=4 171 B8R0.3 CCOC(=O)C(Br)CC CS-W010634 [1,0,0,0,1,0|1,0,1]=4 172 B8R0.3 CCOC(=O)C(N)CC CS-0197280 [1,0,0,0,1,0|1,0,1]=4 173 B8R0.3 CCOC(=O)C(O)CC CS-0185728 [1,0,0,0,1,0|0,0,2]=4 174 B8R0.3 CCOC(=O)[C@@H](C)OC CS-0055730 [1,0,0,0,1,0|1,0,1]=4 175 B8R0.3 CCOC(=O)[C@@H](N)CC CS-0162057 [1,0,0,0,1,0|1,0,1]=4 176 B8R0.3 CCOC(=O)[C@@H](O)CC CS-0527449 [1,0,0,0,1,0|0,0,2]=4 177 B12R0.285 CCOC(=O)CCCC(=O)OCC CS-0010829 [0,0,0,0,0,2|0,0,0]=2 178 B12R0.285 CCOC(=O)CNCC(=O)OCC CS-W015948 [0,0,0,0,0,2|0,0,0]=2 179 B12R0.285 CCOC(=O)COCC(=O)OCC CS-0046900 [0,0,0,0,0,2|0,0,0]=2 180 B12R0.285 CCOC(=O)CSCC(=O)OCC CS-W015317 [0,0,0,0,0,2|0,0,0]=2