0 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,0,0,0,0,0|1,0,3]=4 1 B10R0.91 C/C=C/CN(C)CCCCC 269982a_100000223495_100102629194 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.91 C=CC=CC(=O)CCCCF 1458a_100016291481_100000729493 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.91 C=CC=CC(=O)CCCCO 1458a_100016291481_100000210776 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.91 C=CC=CC(=O)CCCOC 1458a_100016291481_100000740836 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.91 C=CC=CC(=O)CCOCC 1458a_100016291481_100011215890 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.91 C=CC=CC(=O)CCSCC 1458a_100016291481_100000757381 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.91 C=CC=CC(=O)NCCCC 1626a_100000102301_100016291481 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.91 C=CCNC(C)CCCCC 2230a_100000211957_100000210623 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.91 C=CCNC(C)CCCCC 2230a_100020586998_200011218191 [0,0,0,0,0,0|3,0,1]=4 11 B10R0.91 C=CCNC(C)CCCCC 270004a_100020586998_100000211708 [0,0,0,0,0,0|3,0,1]=4 12 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [0,0,0,0,0,0|3,0,1]=4 14 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [0,0,0,0,0,0|3,0,1]=4 15 B10R0.91 C=CCSC(C)CCCCC 62a_100000210623_200011218191 [0,0,0,0,0,0|3,0,1]=4 16 B10R0.91 C=CCSC(C)CCCCC 62a_200011218191_100000210623 [0,0,0,0,0,0|3,0,1]=4 17 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,0,0,0,0,0|1,0,3]=4 18 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,0,0,0,0,0|1,0,3]=4 19 B10R0.91 CC=CCN(C)CCCCC 2230a_100000223495_100000070051 [0,0,0,0,0,0|3,0,1]=4 20 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,0,0,0,0,0|1,0,3]=4 21 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [0,0,0,0,0,0|2,0,2]=4 22 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [0,0,0,0,0,0|2,0,1]=3 23 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [0,0,0,0,0,0|2,0,1]=3 24 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [0,0,0,0,0,0|2,0,1]=3 25 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [0,0,0,0,0,0|2,0,1]=3 26 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [0,0,0,0,0,0|2,0,1]=3 27 B10R0.91 COCCCC(C)OCC=O 34a_200011539412_200009817547 [0,0,0,0,0,0|3,0,1]=4 28 B10R0.91 COCCCC(C)OCC=O 7a_200011539412_200015260668 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.5 C/C=C/C(C)OCCCC 34a_200102604097_100000210210 [1,0,0,0,0,0|2,0,1]=4 30 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,0,0,0,0,0|0,0,3]=4 31 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,0,0,0,0,0|0,0,3]=4 32 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [1,0,0,0,0,0|2,0,1]=4 33 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [1,0,0,0,0,0|2,0,1]=4 35 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [1,0,0,0,0,0|2,0,1]=4 36 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [1,0,0,0,0,0|2,0,1]=4 37 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [1,0,0,0,0,0|2,0,1]=4 38 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [1,0,0,0,0,0|2,0,1]=4 39 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [1,0,0,0,0,0|2,0,1]=4 40 B9R0.5 C=CC[C@@H](N)COCCC 34a_100020615467_100000210303 [1,0,0,0,0,0|2,0,1]=4 41 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,0,0,0,0,0|0,0,3]=4 42 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [1,0,0,0,0,0|1,0,2]=4 43 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [1,0,0,0,0,0|1,0,2]=4 44 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [1,0,0,0,0,0|1,0,2]=4 45 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [1,0,0,0,0,0|2,0,1]=4 47 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [1,0,0,0,0,0|1,0,2]=4 48 B9R0.18 CCCCC(C)NCC=O 2230a_100000126638_200015260668 [1,0,0,0,0,0|2,0,1]=4 49 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [1,0,0,0,0,0|2,0,1]=4 50 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [1,0,0,0,0,0|2,0,1]=4 51 B9R0.18 CCCCC(C)SCC=O 62a_200011215066_200015260668 [1,0,0,0,0,0|2,0,1]=4 52 B9R0.18 CCCCC(C)SCC=O 62a_200015260668_200011215066 [1,0,0,0,0,0|2,0,1]=4 53 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [1,0,0,0,0,0|2,0,1]=4 54 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [1,0,0,0,0,0|2,0,1]=4 55 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,0,0,0,0,0|2,0,1]=4 56 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,0,0,0,0,0|2,0,1]=4 57 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,0,0,0,0,0|2,0,1]=4 58 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,0,0,0,0,0|2,0,1]=4 59 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,0,0,0,0,0|2,0,1]=4 60 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [1,0,0,0,0,0|2,0,1]=4 61 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [1,0,0,0,0,0|2,0,1]=4 62 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,0,0,0,0,0|2,0,1]=4 63 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,0,0,0,0,0|2,0,1]=4 64 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,0,0,0,0,0|2,0,1]=4 65 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [1,0,0,0,0,0|2,0,1]=4 66 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [1,0,0,0,0,0|2,0,1]=4 67 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [1,0,0,0,0,0|2,0,1]=4 68 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [1,0,0,0,0,0|2,0,1]=4 69 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [1,0,0,0,0,0|2,0,1]=4 70 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [1,0,0,0,0,0|2,0,1]=4 71 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [1,0,0,0,0,0|2,0,1]=4 72 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [1,0,0,0,0,0|2,0,1]=4 73 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,0,0,0,0,0|2,0,1]=4 74 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,0,0,0,0,0|2,0,1]=4 75 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,0,0,0,0,0|2,0,1]=4 76 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [1,0,0,0,0,0|2,0,1]=4 77 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [1,0,0,0,0,0|2,0,1]=4 78 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [1,0,0,0,0,0|2,0,1]=4 79 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [1,0,0,0,0,0|2,0,1]=4 80 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [1,0,0,0,0,0|2,0,1]=4 81 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [1,0,0,0,0,0|2,0,1]=4 82 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [1,0,0,0,0,0|2,0,1]=4 83 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [1,0,0,0,0,0|2,0,1]=4 84 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [1,0,0,0,0,0|2,0,1]=4 85 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [1,0,0,0,0,0|2,0,1]=4 86 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,0,0,0,0,0|2,0,1]=4 87 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,0,0,0,0,0|2,0,1]=4 88 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,0,0,0,0,0|2,0,1]=4 89 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,0,0,0,0,0|2,0,1]=4 90 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,0,0,0,0,0|2,0,1]=4 91 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,0,0,0,0,0|2,0,1]=4 92 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [1,0,0,0,0,0|1,0,1]=3 93 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,0,0,0,0,0|1,0,1]=3 94 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,0,0,0,0,0|1,0,1]=3 95 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [1,0,0,0,0,0|1,0,1]=3 96 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [1,0,0,0,0,0|1,0,1]=3 97 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [1,0,0,0,0,0|1,0,2]=4 98 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [1,0,0,0,0,0|1,0,2]=4 99 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [1,0,0,0,0,0|1,0,2]=4 100 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [1,0,0,0,0,0|2,0,1]=4 101 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [1,0,0,0,0,0|2,0,1]=4 102 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [1,0,0,0,0,0|1,0,2]=4 103 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [1,0,0,0,0,0|1,0,2]=4 104 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [1,0,0,0,0,0|2,0,1]=4 105 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [1,0,0,0,0,0|2,0,1]=4 106 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [1,0,0,0,0,0|2,0,1]=4 107 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [1,0,0,0,0,0|2,0,1]=4 108 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [1,0,0,0,0,0|2,0,1]=4 109 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [1,0,0,0,0,0|2,0,1]=4 110 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [1,0,0,0,0,0|1,0,2]=4 111 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [1,0,0,0,0,0|1,0,2]=4 112 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [1,0,0,0,0,0|2,0,1]=4 113 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [1,0,0,0,0,0|2,0,1]=4 114 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [1,0,0,0,0,0|2,0,1]=4 115 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [1,0,0,0,0,0|1,0,2]=4 116 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [1,0,0,0,0,0|2,0,1]=4 117 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [1,0,0,0,0,0|2,0,1]=4 118 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [1,0,0,0,0,0|2,0,1]=4 119 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [1,0,0,0,0,0|2,0,1]=4 120 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [1,0,0,0,0,0|2,0,1]=4 121 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [1,0,0,0,0,0|2,0,1]=4 122 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [1,0,0,0,0,0|1,0,2]=4 123 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [1,0,0,0,0,0|1,0,2]=4 124 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [1,0,0,0,0,0|2,0,1]=4 125 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [1,0,0,0,0,0|2,0,1]=4 126 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [1,0,0,0,0,0|2,0,1]=4 127 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [1,0,0,0,0,0|2,0,1]=4 128 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [1,0,0,0,0,0|2,0,1]=4 129 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [1,0,0,0,0,0|2,0,1]=4 130 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [1,0,0,0,0,0|2,0,1]=4 131 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [1,0,0,0,0,0|2,0,1]=4 132 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [1,0,0,0,0,0|2,0,1]=4 133 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [1,0,0,0,0,0|2,0,1]=4 134 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [1,0,0,0,0,0|2,0,1]=4 135 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [1,0,0,0,0,0|2,0,1]=4 136 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [1,0,0,0,0,0|2,0,1]=4 137 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [1,0,0,0,0,0|2,0,1]=4 138 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [1,0,0,0,0,0|2,0,1]=4 139 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [1,0,0,0,0,0|2,0,1]=4 140 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [1,0,0,0,0,0|2,0,1]=4 141 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [1,0,0,0,0,0|2,0,1]=4 142 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [1,0,0,0,0,0|2,0,1]=4 143 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [1,0,0,0,0,0|2,0,1]=4 144 B11R0.5 C=CC=CC(=O)CC(C)CCC 1458a_100016291481_100011216630 [0,1,0,0,0,0|1,0,2]=4 145 B11R0.11 C=CC=CC(=O)C(C)CCCC 1458a_100016291481_200011215066 [0,1,0,0,0,0|1,0,2]=4 146 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,1,0,0,0,0|1,0,2]=4 147 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,1,0,0,0,0|1,0,2]=4 148 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000211957_100000747473 [0,1,0,0,0,0|2,0,1]=4 149 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000711301_200011218191 [0,1,0,0,0,0|2,0,1]=4 150 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [0,1,0,0,0,0|2,0,1]=4 151 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,1,0,0,0,0|2,0,1]=4 152 B11R0.46 CCCCCC(C)OCC(=O)N 34a_100011215632_100000187820 [0,1,0,0,0,0|2,0,1]=4 153 B11R0.46 CCCCCC(C)OCC(=O)N 7a_100011215632_100000187820 [0,1,0,0,0,0|2,0,1]=4 154 B11R0.46 CCCCCC(C)OCC(=O)[O-] 34a_100011215632_100020667443 [0,1,0,0,0,0|2,0,1]=4 155 B11R0.46 CCCCCC(C)SCC(=O)N 62a_100000747473_200011218191 [0,1,0,0,0,0|2,0,1]=4 156 B11R0.46 CCCCCC(C)SCC(=O)N 62a_200011218191_100000747473 [0,1,0,0,0,0|2,0,1]=4 157 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218191 [0,1,0,0,0,0|2,0,1]=4 158 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_200011218191_100020667443 [0,1,0,0,0,0|2,0,1]=4 159 B11R0.46 CCCOCC(O)COC(=O)C 34a_100000210258_200000139349 [0,1,0,0,0,0|2,0,1]=4 160 B11R0.46 CCCSCC(O)COC(=O)C 62a_100000210303_200000139349 [0,1,0,0,0,0|2,0,1]=4 161 B11R0.46 CCCSCC(O)COC(=O)C 62a_200000139349_100000210303 [0,1,0,0,0,0|2,0,1]=4 162 B11R0.70 CCC(C)CCC(C)OCC=O 7a_200011216552_200015260668 [0,1,0,0,0,0|2,0,1]=4 163 B11R0.81 C=CC=CC(=O)CCCCCC 1458a_100016291481_100000210757 [0,1,0,0,0,0|1,0,2]=4 164 B11R0.81 C=CC=CC(=O)CCCCCF 1458a_100016291481_100000729378 [0,1,0,0,0,0|1,0,2]=4 165 B11R0.81 C=CC=CC(=O)CCCCCO 1458a_100016291481_100000746330 [0,1,0,0,0,0|1,0,2]=4 166 B11R0.81 C=CC=CC(=O)CCCCOC 1458a_100016291481_100000755781 [0,1,0,0,0,0|1,0,2]=4 167 B11R0.81 C=CC=CC(=O)CCCOCC 1458a_100016291481_100012232248 [0,1,0,0,0,0|1,0,2]=4 168 B11R0.81 C=CC=CC(=O)CCOCCC 1458a_100016291481_100011215938 [0,1,0,0,0,0|1,0,2]=4 169 B11R0.81 C=CC=CC(=O)COCCCC 1458a_100016291481_100011995733 [0,1,0,0,0,0|1,0,2]=4 170 B11R0.81 C=CC=CC(=O)NCCCCC 1626a_100000209983_100016291481 [0,1,0,0,0,0|1,0,2]=4 171 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [0,1,0,0,0,0|2,0,1]=4 172 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [0,1,0,0,0,0|2,0,1]=4 173 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [0,1,0,0,0,0|2,0,1]=4 174 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [0,1,0,0,0,0|2,0,1]=4 175 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [0,1,0,0,0,0|2,0,1]=4 176 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [0,1,0,0,0,0|2,0,1]=4 177 B11R0.81 CCCCOCC(C)OCC=O 34a_100011217071_200009817547 [0,1,0,0,0,0|2,0,1]=4 178 B11R0.81 CCCCOCC(C)OCC=O 7a_100011217071_200015260668 [0,1,0,0,0,0|2,0,1]=4 179 B11R0.140 C/C=C/C=CC(=O)CCCCC 1458a_100000185730_100000210326 [0,1,0,0,0,0|1,0,2]=4 180 B11R0.140 C/C=C/COC(C)CCCCC 34a_100011215632_100102629194 [0,1,0,0,0,0|2,0,1]=4 181 B11R0.140 C/C=C/COC(C)CCCCC 34a_100016270725_200011218191 [0,1,0,0,0,0|2,0,1]=4 182 B11R0.140 C/C=C/COC(C)CCCCC 7a_100011215632_100102629194 [0,1,0,0,0,0|2,0,1]=4 183 B11R0.140 C/C=C/CSC(C)CCCCC 62a_100102629194_200011218191 [0,1,0,0,0,0|2,0,1]=4 184 B11R0.140 C/C=C/CSC(C)CCCCC 62a_200011218191_100102629194 [0,1,0,0,0,0|2,0,1]=4 185 B11R0.140 CC=CCNC(C)CCCCC 2230a_100000211957_100000070051 [0,1,0,0,0,0|2,0,1]=4 186 B11R0.140 CC=CCOC(C)CCCCC 34a_100011215632_100000070051 [0,1,0,0,0,0|2,0,1]=4 187 B11R0.140 CC=CCOC(C)CCCCC 7a_100011215632_100000070051 [0,1,0,0,0,0|2,0,1]=4 188 B11R0.140 CC=CCSC(C)CCCCC 62a_100000070051_200011218191 [0,1,0,0,0,0|2,0,1]=4 189 B11R0.140 CC=CCSC(C)CCCCC 62a_200011218191_100000070051 [0,1,0,0,0,0|2,0,1]=4 190 B11R0.147 C=CC=CC(=O)CCCC(C)C 1458a_100016291481_100011214892 [0,1,0,0,0,0|1,0,2]=4 191 B11R0.147 C=CC=CC(=O)CCCC(C)O 1458a_100016291481_200000718107 [0,1,0,0,0,0|1,0,2]=4 192 B11R0.147 CC(C)CCCC(C)NCC=O 2230a_100000210607_200015260668 [0,1,0,0,0,0|2,0,1]=4 193 B11R0.147 CC(C)CCCC(C)OCC=O 34a_200011218570_200009817547 [0,1,0,0,0,0|2,0,1]=4 194 B11R0.147 CC(C)CCCC(C)OCC=O 7a_200011218570_200015260668 [0,1,0,0,0,0|2,0,1]=4 195 B11R0.152 C#CC(CCCCC)OCC=O 34a_100011216489_200009817547 [0,1,0,0,0,0|2,0,1]=4 196 B11R0.152 C#CC(CCCCC)OCC=O 7a_100011216489_200015260668 [0,1,0,0,0,0|2,0,1]=4 197 B11R0.152 C=CC(CCCCC)OCC=O 34a_100011216863_200009817547 [0,1,0,0,0,0|2,0,1]=4 198 B11R0.152 C=CC(CCCCC)OCC=O 7a_100011216863_200015260668 [0,1,0,0,0,0|2,0,1]=4 199 B11R0.152 CCCCCC(CC)OCC=O 34a_100011215405_200009817547 [0,1,0,0,0,0|2,0,1]=4 200 B11R0.152 CCCCCC(CC)OCC=O 7a_100011215405_200015260668 [0,1,0,0,0,0|2,0,1]=4 201 B11R0.154 C=CC(=O)NC(C)CCCCC 1626a_100000211957_100000185746 [0,1,0,0,0,0|3,0,0]=4 202 B11R0.154 C=CC(=O)NC(C)CCCCC 240690a_100000211957_200121576911 [0,1,0,0,0,0|3,0,0]=4 203 B11R0.155 C=CCC(=O)C(C)CCCCC 1458a_100000210193_200011218191 [0,1,0,0,0,0|2,0,1]=4 204 B11R0.155 C=CCC(=O)C(C)CCCCC 1458a_100011215998_100000210623 [0,1,0,0,0,0|2,0,1]=4 205 B11R0.155 CC=CC(=O)C(C)CCCCC 1458a_100000210699_200011218191 [0,1,0,0,0,0|2,0,0]=3 206 B11R0.155 CC=CC(=O)N(C)CCCCC 11a_100000223495_100000210699 [0,1,0,0,0,0|3,0,0]=4 207 B11R0.155 CC=CC(=O)N(C)CCCCC 1626a_100000223495_100000210699 [0,1,0,0,0,0|3,0,0]=4 208 B11R0.155 CC=CC(=O)N(C)CCCCC 240690a_100000223495_100000210699 [0,1,0,0,0,0|3,0,0]=4 209 B11R0.155 CCCCCC(C)C(=O)C=CBr 1458a_100016273825_200011218191 [0,1,0,0,0,0|2,0,0]=3 210 B11R0.155 CCCCCC(C)C(=O)C=CCl 1458a_200016279998_200011218191 [0,1,0,0,0,0|2,0,0]=3 211 B11R0.155 CCCCCC(C)C(=O)C=CI 1458a_100016256311_200011218191 [0,1,0,0,0,0|2,0,0]=3 212 B11R0.155 CCCCCN(C)C(=O)C=CBr 1626a_100000223495_100016273825 [0,1,0,0,0,0|3,0,0]=4 213 B11R0.155 CCCCCN(C)C(=O)C=CBr 240690a_100000223495_100016273825 [0,1,0,0,0,0|3,0,0]=4 214 B11R0.155 CCCCCN(C)C(=O)C=CCl 11a_100000223495_200016279998 [0,1,0,0,0,0|3,0,0]=4 215 B11R0.155 CCCCCN(C)C(=O)C=CCl 1626a_100000223495_200016279998 [0,1,0,0,0,0|3,0,0]=4 216 B11R0.155 CCCCCN(C)C(=O)C=CCl 240690a_100000223495_200016279998 [0,1,0,0,0,0|3,0,0]=4 217 B11R0.155 CCCCCN(C)C(=O)C=CI 1626a_100000223495_100016256311 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [0,0,0,1,0,0|1,0,2]=4 219 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [0,0,0,1,0,0|1,0,2]=4 220 B11R1.24 CC1CCCC(C1)NCC=O 2230a_100011194320_200015260668 [0,0,0,1,0,0|2,0,1]=4 221 B11R1.24 CC1CCCC(C1)NCC=O 34a_100011194320_200009817547 [0,0,0,1,0,0|2,0,1]=4 222 B11R1.24 CC1CCCC(C1)OCC=O 34a_100000211399_200009817547 [0,0,0,1,0,0|2,0,1]=4 223 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [0,0,0,1,0,0|2,0,1]=4 224 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [0,0,0,1,0,0|2,0,1]=4 225 B11R1.27 CCCNCc1ccc(o1)Br 207a_100020643023_100000185145 [0,0,0,1,0,0|2,0,1]=4 226 B11R1.27 CCCNCc1ccc(o1)Br 270004a_100020643023_100000185145 [0,0,0,1,0,0|2,0,1]=4 227 B11R1.27 CCCNCc1ccc(o1)Br 34a_100000708654_100000210303 [0,0,0,1,0,0|2,0,1]=4 228 B11R1.27 CCCNCc1ccc(o1)C 207a_100020643023_100000183696 [0,0,0,1,0,0|2,0,1]=4 229 B11R1.27 CCCNCc1ccc(o1)C 270004a_100020643023_100000183696 [0,0,0,1,0,0|2,0,1]=4 230 B11R1.27 CCCNCc1ccc(o1)C 34a_100011194323_100000210303 [0,0,0,1,0,0|2,0,1]=4 231 B11R1.27 CCCNCc1ccc(o1)Cl 207a_100020643023_100000188459 [0,0,0,1,0,0|2,0,1]=4 232 B11R1.27 CCCNCc1ccc(o1)Cl 270004a_100020643023_100000188459 [0,0,0,1,0,0|2,0,1]=4 233 B11R1.27 CCCNCc1ccc(o1)I 207a_100020643023_100000186757 [0,0,0,1,0,0|2,0,1]=4 234 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,0,0,1,0,0|2,0,1]=4 235 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,0,0,1,0,0|2,0,1]=4 236 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,0,0,1,0,0|2,0,1]=4 237 B11R1.27 CCCOCc1ccc(o1)Br 34a_100000246276_100000210303 [0,0,0,1,0,0|2,0,1]=4 238 B11R1.27 CCCOCc1ccc(o1)Br 7a_100000246276_100000210303 [0,0,0,1,0,0|2,0,1]=4 239 B11R1.27 CCCOCc1ccc(o1)C 34a_100011232665_100000210303 [0,0,0,1,0,0|2,0,1]=4 240 B11R1.27 CCCOCc1ccc(o1)C 7a_100011232665_100000210303 [0,0,0,1,0,0|2,0,1]=4 241 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,0,0,1,0,0|2,0,1]=4 242 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,0,0,1,0,0|2,0,1]=4 243 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,0,0,1,0,0|2,0,1]=4 244 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,0,0,1,0,0|2,0,1]=4 245 B11R1.27 CCNCCc1ccc(o1)C 2230a_100000739271_100000210202 [0,0,0,1,0,0|2,0,1]=4 246 B11R1.27 CCNCCc1ccc(o1)C 34a_100000739271_100000210202 [0,0,0,1,0,0|2,0,1]=4 247 B11R1.27 CCOCCc1ccc(o1)C 34a_100012161071_100000210202 [0,0,0,1,0,0|2,0,1]=4 248 B11R1.27 CCOCCc1ccc(o1)C 7a_100012161071_100000210202 [0,0,0,1,0,0|2,0,1]=4 249 B11R1.29 C=CC=CC(=O)C1CCCC1 1458a_100016291481_100000179811 [0,0,0,1,0,0|1,0,2]=4 250 B11R1.29 CC(NCC=O)C1CCCC1 2230a_100015185923_200015260668 [0,0,0,1,0,0|2,0,1]=4 251 B11R1.29 CC(NCC=O)C1CCCC1 34a_100015185923_200009817547 [0,0,0,1,0,0|2,0,1]=4 252 B11R1.29 CC(OCC=O)C1CCCC1 34a_100011216366_200009817547 [0,0,0,1,0,0|2,0,1]=4 253 B11R1.29 CC(OCC=O)C1CCCC1 7a_100011216366_200015260668 [0,0,0,1,0,0|2,0,1]=4 254 B11R1.203 O=CCNC1CCCCCC1 2230a_100000210984_200015260668 [0,0,0,1,0,0|2,0,1]=4 255 B11R1.203 O=CCNC1CCCCCC1 34a_100000210984_200009817547 [0,0,0,1,0,0|2,0,1]=4 256 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [0,0,0,1,0,0|2,0,1]=4 257 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [0,0,0,1,0,0|2,0,1]=4 258 B11R1.203 O=CCSC1CCCCCC1 62a_100011217769_200015260668 [0,0,0,1,0,0|2,0,1]=4 259 B11R1.203 O=CCSC1CCCCCC1 62a_200015260668_100011217769 [0,0,0,1,0,0|2,0,1]=4 260 B11R1.284 C=CC=CC(=O)CC1CCC1 1458a_100016291481_100000763275 [0,0,0,1,0,0|1,0,2]=4 261 B11R1.285 C=CC=CC(=O)CCC1CC1 1458a_100016291481_100000694398 [0,0,0,1,0,0|1,0,2]=4 262 B11R1.605 CC1CCCC(N1CC=O)C 2230a_100000210447_200015260668 [0,0,0,1,0,0|2,0,1]=4 263 B11R1.605 CC1CCCC(N1CC=O)C 269982a_100000210447_200015260668 [0,0,0,1,0,0|2,0,1]=4 264 B11R1.605 CC1CCCC(N1CC=O)C 34a_100000210447_200009817547 [0,0,0,1,0,0|2,0,1]=4 265 B11R1.900 CC1(CCCCC1)NCC=O 2230a_100000741114_200015260668 [0,0,0,1,0,0|2,0,1]=4 266 B11R1.900 CC1(CCCCC1)NCC=O 34a_100000741114_200009817547 [0,0,0,1,0,0|2,0,1]=4 267 B11R1.900 CC1(CCCCC1)OCC=O 34a_100011215885_200009817547 [0,0,0,1,0,0|2,0,1]=4 268 B11R1.900 CC1(CCCCC1)OCC=O 7a_100011215885_200015260668 [0,0,0,1,0,0|2,0,1]=4 269 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [2,0,0,0,0,0|1,0,1]=4 270 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [2,0,0,0,0,0|1,0,1]=4 271 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [2,0,0,0,0,0|1,0,1]=4 272 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [2,0,0,0,0,0|1,0,1]=4 273 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [2,0,0,0,0,0|1,0,1]=4 274 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [2,0,0,0,0,0|1,0,1]=4 275 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [2,0,0,0,0,0|1,0,1]=4 276 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [2,0,0,0,0,0|1,0,1]=4 277 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [2,0,0,0,0,0|1,0,1]=4 278 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [2,0,0,0,0,0|1,0,1]=4 279 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [2,0,0,0,0,0|1,0,1]=4 280 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [2,0,0,0,0,0|1,0,1]=4 281 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [2,0,0,0,0,0|1,0,1]=4 282 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [2,0,0,0,0,0|1,0,1]=4 283 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [2,0,0,0,0,0|1,0,1]=4 284 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [2,0,0,0,0,0|1,0,1]=4 285 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [2,0,0,0,0,0|1,0,1]=4 286 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [2,0,0,0,0,0|1,0,1]=4 287 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [2,0,0,0,0,0|1,0,1]=4 288 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [2,0,0,0,0,0|1,0,1]=4 289 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [2,0,0,0,0,0|1,0,1]=4 290 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [2,0,0,0,0,0|1,0,1]=4 291 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [2,0,0,0,0,0|1,0,1]=4 292 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [2,0,0,0,0,0|1,0,1]=4 293 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [2,0,0,0,0,0|1,0,1]=4 294 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [2,0,0,0,0,0|1,0,1]=4 295 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [2,0,0,0,0,0|1,0,1]=4 296 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [2,0,0,0,0,0|1,0,1]=4 297 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [2,0,0,0,0,0|1,0,1]=4 298 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [2,0,0,0,0,0|1,0,1]=4 299 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [2,0,0,0,0,0|1,0,1]=4 300 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [2,0,0,0,0,0|1,0,1]=4 301 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [2,0,0,0,0,0|1,0,1]=4 302 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [2,0,0,0,0,0|1,0,1]=4 303 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [2,0,0,0,0,0|1,0,1]=4 304 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [2,0,0,0,0,0|1,0,1]=4 305 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [2,0,0,0,0,0|1,0,1]=4 306 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [2,0,0,0,0,0|1,0,1]=4 307 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [2,0,0,0,0,0|1,0,1]=4 308 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [2,0,0,0,0,0|1,0,1]=4 309 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [2,0,0,0,0,0|1,0,1]=4 310 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [2,0,0,0,0,0|1,0,1]=4 311 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [2,0,0,0,0,0|1,0,1]=4 312 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [2,0,0,0,0,0|1,0,1]=4 313 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [2,0,0,0,0,0|1,0,1]=4 314 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [2,0,0,0,0,0|1,0,1]=4 315 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [2,0,0,0,0,0|1,0,1]=4 316 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [2,0,0,0,0,0|1,0,1]=4 317 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [2,0,0,0,0,0|1,0,1]=4 318 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [2,0,0,0,0,0|2,0,0]=4 319 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [2,0,0,0,0,0|2,0,0]=4 320 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [2,0,0,0,0,0|2,0,0]=4 321 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [2,0,0,0,0,0|2,0,0]=4 322 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [2,0,0,0,0,0|2,0,0]=4 323 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [2,0,0,0,0,0|2,0,0]=4 324 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [2,0,0,0,0,0|2,0,0]=4 325 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [2,0,0,0,0,0|2,0,0]=4 326 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [2,0,0,0,0,0|2,0,0]=4 327 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [2,0,0,0,0,0|2,0,0]=4 328 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [2,0,0,0,0,0|1,0,1]=4 329 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [2,0,0,0,0,0|1,0,1]=4 330 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [2,0,0,0,0,0|1,0,1]=4 331 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [2,0,0,0,0,0|1,0,1]=4 332 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [2,0,0,0,0,0|1,0,1]=4 333 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [2,0,0,0,0,0|1,0,1]=4 334 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [2,0,0,0,0,0|1,0,1]=4 335 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [2,0,0,0,0,0|1,0,1]=4 336 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [2,0,0,0,0,0|1,0,1]=4 337 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [2,0,0,0,0,0|1,0,1]=4 338 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [2,0,0,0,0,0|1,0,1]=4 339 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [2,0,0,0,0,0|1,0,1]=4 340 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [2,0,0,0,0,0|1,0,1]=4 341 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [2,0,0,0,0,0|1,0,1]=4 342 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [2,0,0,0,0,0|1,0,1]=4 343 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [2,0,0,0,0,0|1,0,1]=4 344 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [2,0,0,0,0,0|1,0,1]=4 345 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [2,0,0,0,0,0|1,0,1]=4 346 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [2,0,0,0,0,0|1,0,1]=4 347 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [2,0,0,0,0,0|1,0,1]=4 348 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [2,0,0,0,0,0|1,0,1]=4 349 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [2,0,0,0,0,0|1,0,1]=4 350 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [2,0,0,0,0,0|1,0,1]=4 351 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [2,0,0,0,0,0|0,0,2]=4 352 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [2,0,0,0,0,0|2,0,0]=4 353 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [2,0,0,0,0,0|2,0,0]=4 354 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [2,0,0,0,0,0|2,0,0]=4 355 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [2,0,0,0,0,0|2,0,0]=4 356 B8R0.6 C=CC(O)CNCCF 34a_100000724931_100000730141 [2,0,0,0,0,0|2,0,0]=4 357 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [2,0,0,0,0,0|2,0,0]=4 358 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [2,0,0,0,0,0|2,0,0]=4 359 B8R0.6 C=CC(O)COCCBr 34a_100000211926_100000730141 [2,0,0,0,0,0|2,0,0]=4 360 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [2,0,0,0,0,0|1,0,0]=3 361 B8R0.6 C=CC(O)COCCN 34a_100000210304_100000730141 [2,0,0,0,0,0|2,0,0]=4 362 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [2,0,0,0,0,0|1,0,0]=3 363 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [2,0,0,0,0,0|1,0,0]=3 364 B8R0.6 C=CC(O)CSCCF 62a_100000730141_100011217306 [2,0,0,0,0,0|2,0,0]=4 365 B8R0.6 C=CC(O)CSCCF 62a_100011217306_100000730141 [2,0,0,0,0,0|2,0,0]=4 366 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [2,0,0,0,0,0|2,0,0]=4 367 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [2,0,0,0,0,0|2,0,0]=4 368 B8R0.6 C=CC(O)CSCOC 62a_100000730141_100000766300 [2,0,0,0,0,0|2,0,0]=4 369 B8R0.6 C=CC(O)CSCOC 62a_100000766300_100000730141 [2,0,0,0,0,0|2,0,0]=4 370 B8R0.6 C=CC(O)CSCSC 62a_100000730141_100011218213 [2,0,0,0,0,0|2,0,0]=4 371 B8R0.6 C=CC(O)CSCSC 62a_100011218213_100000730141 [2,0,0,0,0,0|2,0,0]=4 372 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [2,0,0,0,0,0|2,0,0]=4 373 B10R0.1 C/C=C/C(C)OCCCCC 34a_200102604097_100000718602 [1,1,0,0,0,0|1,0,1]=4 374 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [1,1,0,0,0,0|1,0,1]=4 375 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [1,1,0,0,0,0|1,0,1]=4 376 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [1,1,0,0,0,0|1,0,1]=4 377 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [1,1,0,0,0,0|1,0,1]=4 378 B10R0.1 C=CC[C@@H](N)COCCCC 34a_100020615467_100000210210 [1,1,0,0,0,0|1,0,1]=4 379 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [1,1,0,0,0,0|2,0,0]=4 380 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [1,1,0,0,0,0|2,0,0]=4 381 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [1,1,0,0,0,0|2,0,0]=4 382 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [1,1,0,0,0,0|2,0,0]=4 383 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [1,1,0,0,0,0|1,0,1]=4 384 B10R0.24 C=CCC(CCCCC)OC 34a_200011216309_200000210301 [1,1,0,0,0,0|0,0,1]=3 385 B10R0.24 C=CCC(CCCCC)OC 7a_200011216309_200000210301 [1,1,0,0,0,0|0,0,1]=3 386 B10R0.24 C=CCC(CCCCC)O[13CH3] 34a_200011216309_200025704644 [1,1,0,0,0,0|0,0,1]=3 387 B10R0.24 C=CCC(CCCCC)O[13CH3] 7a_200011216309_200025704644 [1,1,0,0,0,0|0,0,1]=3 388 B10R0.24 C=CC[C@H](CO)NCCCC 2230a_100020615467_100000210211 [1,1,0,0,0,0|1,0,1]=4 389 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [1,1,0,0,0,0|1,0,0]=3 390 B10R0.83 C=CC(=O)N(C)CCCCC 1626a_100000223495_100000185746 [1,1,0,0,0,0|2,0,0]=4 391 B10R0.83 C=CC(=O)N(C)CCCCC 240690a_100000223495_200121576911 [1,1,0,0,0,0|2,0,0]=4 392 B10R0.16 CCCC[C@@H](CO)NCC=O 2230a_100011934283_200015260668 [1,1,0,0,0,0|1,0,1]=4 393 B10R0.16 CCCC[C@@H](CO)NCC=O 34a_100011934283_200009817547 [1,1,0,0,0,0|1,0,1]=4 394 B10R0.4 CC(C)CCCCOCC=O 34a_100011214890_200009817547 [1,1,0,0,0,0|1,0,1]=4 395 B10R0.4 CC(C)CCCCOCC=O 7a_100011214890_200015260668 [1,1,0,0,0,0|1,0,1]=4 396 B10R0.4 CC(C)CCCCSCC=O 62a_100011216152_200015260668 [1,1,0,0,0,0|1,0,1]=4 397 B10R0.4 CC(C)CCCCSCC=O 62a_200015260668_100011216152 [1,1,0,0,0,0|1,0,1]=4 398 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,1,0,0,0,0|0,0,2]=4 399 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,1,0,0,0,0|0,0,2]=4 400 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,1,0,0,0,0|0,0,0]=2 401 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,1,0,0,0,0|0,0,0]=2 402 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,1,0,0,0,0|0,0,2]=4 403 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,1,0,0,0,0|0,0,2]=4 404 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,1,0,0,0,0|0,0,2]=4 405 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,1,0,0,0,0|1,0,1]=4 406 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,1,0,0,0,0|1,0,1]=4 407 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,1,0,0,0,0|1,0,1]=4 408 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,1,0,0,0,0|1,0,1]=4 409 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,1,0,0,0,0|1,0,1]=4 410 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,1,0,0,0,0|1,0,1]=4 411 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,1,0,0,0,0|1,0,1]=4 412 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,1,0,0,0,0|1,0,1]=4 413 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,1,0,0,0,0|1,0,1]=4 414 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,1,0,0,0,0|1,0,1]=4 415 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,1,0,0,0,0|1,0,1]=4 416 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,1,0,0,0,0|1,0,1]=4 417 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,1,0,0,0,0|1,0,1]=4 418 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,1,0,0,0,0|1,0,1]=4 419 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,1,0,0,0,0|1,0,1]=4 420 B10R0.71 C/C=C/C=C/COCCCC 34a_100016283227_100000210210 [1,1,0,0,0,0|1,0,1]=4 421 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,1,0,0,0,0|1,0,1]=4 422 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,1,0,0,0,0|1,0,1]=4 423 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,1,0,0,0,0|1,0,1]=4 424 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,1,0,0,0,0|1,0,1]=4 425 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,1,0,0,0,0|1,0,1]=4 426 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,1,0,0,0,0|1,0,1]=4 427 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,1,0,0,0,0|1,0,1]=4 428 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,1,0,0,0,0|1,0,1]=4 429 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,1,0,0,0,0|1,0,1]=4 430 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,1,0,0,0,0|1,0,1]=4 431 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,1,0,0,0,0|1,0,1]=4 432 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,1,0,0,0,0|1,0,1]=4 433 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,1,0,0,0,0|1,0,1]=4 434 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,1,0,0,0,0|1,0,1]=4 435 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,1,0,0,0,0|1,0,1]=4 436 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [1,1,0,0,0,0|1,0,1]=4 437 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [1,1,0,0,0,0|1,0,1]=4 438 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,1,0,0,0,0|1,0,1]=4 439 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,1,0,0,0,0|1,0,1]=4 440 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,1,0,0,0,0|1,0,1]=4 441 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,1,0,0,0,0|1,0,1]=4 442 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [1,1,0,0,0,0|1,0,1]=4 443 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [1,1,0,0,0,0|1,0,1]=4 444 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,1,0,0,0,0|1,0,1]=4 445 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,1,0,0,0,0|1,0,1]=4 446 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,1,0,0,0,0|1,0,1]=4 447 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,1,0,0,0,0|1,0,1]=4 448 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,1,0,0,0,0|1,0,1]=4 449 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,1,0,0,0,0|1,0,1]=4 450 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [1,1,0,0,0,0|1,0,1]=4 451 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,1,0,0,0,0|1,0,1]=4 452 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,1,0,0,0,0|1,0,1]=4 453 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,1,0,0,0,0|1,0,1]=4 454 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,1,0,0,0,0|1,0,1]=4 455 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,1,0,0,0,0|1,0,1]=4 456 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,1,0,0,0,0|1,0,1]=4 457 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,1,0,0,0,0|0,0,2]=4 458 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,1,0,0,0,0|0,0,2]=4 459 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,1,0,0,0,0|0,0,2]=4 460 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,1,0,0,0,0|0,0,2]=4 461 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,1,0,0,0,0|0,0,2]=4 462 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,1,0,0,0,0|0,0,2]=4 463 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,1,0,0,0,0|0,0,2]=4 464 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,1,0,0,0,0|0,0,2]=4 465 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,1,0,0,0,0|0,0,2]=4 466 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,1,0,0,0,0|0,0,2]=4 467 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,1,0,0,0,0|0,0,2]=4 468 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,1,0,0,0,0|0,0,2]=4 469 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,1,0,0,0,0|0,0,2]=4 470 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,1,0,0,0,0|0,0,2]=4 471 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,1,0,0,0,0|0,0,2]=4 472 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,1,0,0,0,0|0,0,2]=4 473 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [1,1,0,0,0,0|1,0,1]=4 474 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [1,1,0,0,0,0|1,0,1]=4 475 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [1,1,0,0,0,0|1,0,1]=4 476 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [1,1,0,0,0,0|1,0,1]=4 477 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,1,0,0,0,0|0,0,2]=4 478 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,1,0,0,0,0|0,0,2]=4 479 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [1,1,0,0,0,0|1,0,1]=4 480 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [1,1,0,0,0,0|1,0,1]=4 481 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [1,1,0,0,0,0|1,0,1]=4 482 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [1,1,0,0,0,0|1,0,1]=4 483 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [1,1,0,0,0,0|1,0,1]=4 484 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,1,0,0,0,0|0,0,2]=4 485 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,1,0,0,0,0|0,0,2]=4 486 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [1,1,0,0,0,0|1,0,1]=4 487 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [1,1,0,0,0,0|1,0,1]=4 488 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [1,1,0,0,0,0|1,0,1]=4 489 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [1,1,0,0,0,0|1,0,1]=4 490 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [1,1,0,0,0,0|1,0,1]=4 491 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [1,1,0,0,0,0|1,0,1]=4 492 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [1,1,0,0,0,0|1,0,1]=4 493 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [1,1,0,0,0,0|1,0,1]=4 494 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [1,1,0,0,0,0|1,0,1]=4 495 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [1,1,0,0,0,0|1,0,1]=4 496 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [1,1,0,0,0,0|1,0,1]=4 497 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [1,1,0,0,0,0|1,0,1]=4 498 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [1,1,0,0,0,0|1,0,1]=4 499 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [1,1,0,0,0,0|1,0,1]=4 500 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [1,1,0,0,0,0|1,0,1]=4 501 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [1,1,0,0,0,0|1,0,1]=4 502 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [1,1,0,0,0,0|1,0,1]=4 503 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [1,1,0,0,0,0|2,0,0]=4 504 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [1,1,0,0,0,0|2,0,0]=4 505 B10R0.74 CCC(C)CCCOCC=O 7a_100011216074_200015260668 [1,1,0,0,0,0|1,0,1]=4 506 B12R0.239 CC=CC(=O)NC(C)CCCCC 11a_100000211957_100000210699 [0,2,0,0,0,0|2,0,0]=4 507 B12R0.239 CC=CC(=O)NC(C)CCCCC 1626a_100000211957_100000210699 [0,2,0,0,0,0|2,0,0]=4 508 B12R0.239 CC=CC(=O)NC(C)CCCCC 240690a_100000211957_100000210699 [0,2,0,0,0,0|2,0,0]=4 509 B12R0.239 CCCCCC(C)NC(=O)C=CBr 1626a_100000211957_100016273825 [0,2,0,0,0,0|2,0,0]=4 510 B12R0.239 CCCCCC(C)NC(=O)C=CBr 240690a_100000211957_100016273825 [0,2,0,0,0,0|2,0,0]=4 511 B12R0.239 CCCCCC(C)NC(=O)C=CCl 11a_100000211957_200016279998 [0,2,0,0,0,0|2,0,0]=4 512 B12R0.239 CCCCCC(C)NC(=O)C=CCl 1626a_100000211957_200016279998 [0,2,0,0,0,0|2,0,0]=4 513 B12R0.239 CCCCCC(C)NC(=O)C=CCl 240690a_100000211957_200016279998 [0,2,0,0,0,0|2,0,0]=4 514 B12R0.239 CCCCCC(C)NC(=O)C=CI 1626a_100000211957_100016256311 [0,2,0,0,0,0|2,0,0]=4 515 B12R0.648 C/C=C/CC(=O)C(C)CCCCC 1458a_100011215998_100102629194 [0,2,0,0,0,0|2,0,0]=4 516 B12R0.648 C=CC=CC(=O)C(C)CCCCC 1458a_100016291481_200011218191 [0,2,0,0,0,0|2,0,0]=4 517 B12R0.648 CC=CCC(=O)C(C)CCCCC 1458a_100011215998_100000070051 [0,2,0,0,0,0|2,0,0]=4 518 B12R0.648 CC=CCC(=O)C(C)CCCCC 1458a_100121576822_200011218191 [0,2,0,0,0,0|2,0,0]=4 519 B12R0.648 CCC=CC(=O)C(C)CCCCC 1458a_100000212282_200011218191 [0,2,0,0,0,0|2,0,0]=4 520 B12R0.648 CCCCCC(C)C(=O)C=COC 1458a_100016268678_200011218191 [0,2,0,0,0,0|1,0,1]=4 521 B12R0.123 CCCCCC(C)NC(=O)C(=O)N 240690a_100000211957_100011215815 [0,2,0,0,0,0|2,0,0]=4 522 B12R0.124 CCCCCC(CCC(=O)N)OC 34a_200009835076_200000210301 [0,2,0,0,0,0|0,0,2]=4 523 B12R0.124 CCCCCC(CCC(=O)N)OC 7a_200009835076_200000210301 [0,2,0,0,0,0|0,0,2]=4 524 B12R0.124 CCCCCC(CCC(=O)N)O[13CH3] 34a_200009835076_200025704644 [0,2,0,0,0,0|0,0,2]=4 525 B12R0.124 CCCCCC(CCC(=O)N)O[13CH3] 7a_200009835076_200025704644 [0,2,0,0,0,0|0,0,2]=4 526 B12R0.141 CCCCCC(C)C(=O)C=C(C)C 1458a_100000211388_200011218191 [0,2,0,0,0,0|2,0,0]=4 527 B12R0.141 CCCCCC(C)C(=O)C=C(C)Cl 1458a_200042562850_200011218191 [0,2,0,0,0,0|2,0,0]=4 528 B12R0.141 CCCCCC(C)C(=O)C=C(C)I 1458a_100025716642_200011218191 [0,2,0,0,0,0|2,0,0]=4 529 B12R0.141 CCCCCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_200011218191 [0,2,0,0,0,0|2,0,0]=4 530 B12R0.141 CCCCCC(C)C(=O)CC(=O)N 1458a_100011215998_100000187820 [0,2,0,0,0,0|1,0,1]=4 531 B12R0.141 CCCCCC(C)C(=O)CC(=O)N 1458a_100134613110_200011218191 [0,2,0,0,0,0|1,0,1]=4 532 B12R0.141 CCCCCC(C)C(=O)CC(=O)[O-] 1458a_100011215998_100020667443 [0,2,0,0,0,0|1,0,1]=4 533 B12R0.142 CCCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210326 [0,2,0,0,0,0|0,0,2]=4 534 B12R0.255 CCCCNCC(O)COC(=O)C 7a_106832991798_200000139349 [0,2,0,0,0,0|1,0,1]=4 535 B12R0.255 CCCCOCC(O)COC(=O)C 34a_100000210227_200000139349 [0,2,0,0,0,0|1,0,1]=4 536 B12R0.255 CCCCOCC(O)COC(=O)C 7a_100000210227_200000139349 [0,2,0,0,0,0|1,0,1]=4 537 B12R0.255 CCCCSCC(O)COC(=O)C 62a_100000210211_200000139349 [0,2,0,0,0,0|1,0,1]=4 538 B12R0.255 CCCCSCC(O)COC(=O)C 62a_200000139349_100000210210 [0,2,0,0,0,0|1,0,1]=4 539 B12R0.114 C=CCC(=O)C(O)CCCCCC 1458a_100011215828_100000210623 [0,2,0,0,0,0|1,0,1]=4 540 B12R0.114 CC=CC(=O)C(C)CCCCCC 1458a_100000210699_100011215978 [0,2,0,0,0,0|2,0,0]=4 541 B12R0.114 CCCCCCC(C)C(=O)C=CBr 1458a_100016273825_100011215978 [0,2,0,0,0,0|2,0,0]=4 542 B12R0.114 CCCCCCC(C)C(=O)C=CCl 1458a_200016279998_100011215978 [0,2,0,0,0,0|2,0,0]=4 543 B12R0.114 CCCCCCC(C)C(=O)C=CI 1458a_100016256311_100011215978 [0,2,0,0,0,0|2,0,0]=4 544 B12R0.363 CC/C=C(\C)/C(CCCCC)OC 34a_200016997515_200000210301 [0,2,0,0,0,0|1,0,1]=4 545 B12R0.363 CC/C=C(\C)/C(CCCCC)OC 7a_200016997515_200000210301 [0,2,0,0,0,0|1,0,1]=4 546 B12R0.363 CC/C=C(\C)/C(CCCCC)O[13CH3] 34a_200016997515_200025704644 [0,2,0,0,0,0|1,0,1]=4 547 B12R0.363 CC/C=C(\C)/C(CCCCC)O[13CH3] 7a_200016997515_200025704644 [0,2,0,0,0,0|1,0,1]=4 548 B12R0.110 C/C=C(\C)/C(=O)C(C)CCCCC 1458a_100020587367_200011218191 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [1,0,0,1,0,0|1,0,1]=4 550 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [1,0,0,1,0,0|1,0,1]=4 551 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [1,0,0,1,0,0|1,0,1]=4 552 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [1,0,0,1,0,0|1,0,1]=4 553 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [1,0,0,1,0,0|1,0,1]=4 554 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [1,0,0,1,0,0|1,0,1]=4 555 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [1,0,0,1,0,0|1,0,1]=4 556 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [1,0,0,1,0,0|1,0,1]=4 557 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [1,0,0,1,0,0|1,0,1]=4 558 B10R1.17 O=CCOC1CCCCO1 34a_100000033831_200009817547 [1,0,0,1,0,0|1,0,1]=4 559 B10R1.5 CCC1CCCN1CC=O 2230a_100000754278_200015260668 [1,0,0,1,0,0|1,0,1]=4 560 B10R1.5 CCC1CCCN1CC=O 269982a_100000754278_200015260668 [1,0,0,1,0,0|1,0,1]=4 561 B10R1.5 CCC1CCCN1CC=O 34a_100000754278_200009817547 [1,0,0,1,0,0|1,0,1]=4 562 B12R1.3110 CC(=O)NCC1(CCCCC1)O 11a_100000748649_100015343762 [0,1,0,1,0,0|1,0,1]=4 563 B12R1.3110 CC(=O)NCC1(CCCCC1)O 1626a_100000748649_100015343762 [0,1,0,1,0,0|1,0,1]=4 564 B12R1.3110 CC(=O)NCC1(CCCCC1)O 240690a_100000748649_100015343762 [0,1,0,1,0,0|1,0,1]=4 565 B12R1.3110 CC(=O)NCC1(CCCCC1)O 527a_100000748649_100103153847 [0,1,0,1,0,0|1,0,1]=4 566 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [0,1,0,1,0,0|1,0,1]=4 567 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [0,1,0,1,0,0|1,0,1]=4 568 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [0,1,0,1,0,0|1,0,1]=4 569 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [0,1,0,1,0,0|1,0,1]=4 570 B12R1.7 CCCCNCc1ccc(o1)Br 207a_100000102301_100000185145 [0,1,0,1,0,0|1,0,1]=4 571 B12R1.7 CCCCNCc1ccc(o1)Br 270004a_100000102301_100000185145 [0,1,0,1,0,0|1,0,1]=4 572 B12R1.7 CCCCNCc1ccc(o1)Br 34a_100000708654_100000210210 [0,1,0,1,0,0|1,0,1]=4 573 B12R1.7 CCCCNCc1ccc(o1)C 207a_100000102301_100000183696 [0,1,0,1,0,0|1,0,1]=4 574 B12R1.7 CCCCNCc1ccc(o1)C 270004a_100000102301_100000183696 [0,1,0,1,0,0|1,0,1]=4 575 B12R1.7 CCCCNCc1ccc(o1)C 34a_100011194323_100000210210 [0,1,0,1,0,0|1,0,1]=4 576 B12R1.7 CCCCNCc1ccc(o1)Cl 207a_100000102301_100000188459 [0,1,0,1,0,0|1,0,1]=4 577 B12R1.7 CCCCNCc1ccc(o1)Cl 270004a_100000102301_100000188459 [0,1,0,1,0,0|1,0,1]=4 578 B12R1.7 CCCCNCc1ccc(o1)I 207a_100000102301_100000186757 [0,1,0,1,0,0|1,0,1]=4 579 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [0,1,0,1,0,0|1,0,1]=4 580 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [0,1,0,1,0,0|1,0,1]=4 581 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [0,1,0,1,0,0|1,0,1]=4 582 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [0,1,0,1,0,0|1,0,1]=4 583 B12R1.7 CCCCOCc1ccc(o1)Br 34a_100000246276_100000210210 [0,1,0,1,0,0|1,0,1]=4 584 B12R1.7 CCCCOCc1ccc(o1)Br 7a_100000246276_100000210211 [0,1,0,1,0,0|1,0,1]=4 585 B12R1.7 CCCCOCc1ccc(o1)C 34a_100011232665_100000210210 [0,1,0,1,0,0|1,0,1]=4 586 B12R1.7 CCCCOCc1ccc(o1)C 7a_100011232665_100000210211 [0,1,0,1,0,0|1,0,1]=4 587 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [0,1,0,1,0,0|1,0,1]=4 588 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [0,1,0,1,0,0|1,0,1]=4 589 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [0,1,0,1,0,0|1,0,1]=4 590 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [0,1,0,1,0,0|1,0,1]=4 591 B12R1.7 CCCNCCc1ccc(o1)C 2230a_100000739271_100000210303 [0,1,0,1,0,0|1,0,1]=4 592 B12R1.7 CCCNCCc1ccc(o1)C 34a_100000739271_100000210303 [0,1,0,1,0,0|1,0,1]=4 593 B12R1.7 CCCOCCc1ccc(o1)C 34a_100012161071_100000210303 [0,1,0,1,0,0|1,0,1]=4 594 B12R1.7 CCCOCCc1ccc(o1)C 7a_100012161071_100000210303 [0,1,0,1,0,0|1,0,1]=4 595 B12R1.35 CCCNCC(O)c1ccco1 2230a_100000738650_100000210303 [0,1,0,1,0,0|1,0,1]=4 596 B12R1.35 CCCNCC(O)c1ccsc1 2230a_100000758718_100000210303 [0,1,0,1,0,0|1,1,0]=4 597 B12R1.35 CCCNCC(O)c1ccsc1 34a_100000758718_100000210303 [0,1,0,1,0,0|1,1,0]=4 598 B12R1.455 CCCCSc1cc(on1)C=O 62a_100000210211_100009819588 [0,1,0,1,0,0|1,0,1]=4 599 B12R1.455 CCCCSc1cc(on1)C=O 62a_100009819588_100000210210 [0,1,0,1,0,0|1,0,1]=4 600 B12R1.455 CCCCSc1ccc(o1)C=O 62a_100000210211_100000186757 [0,1,0,1,0,0|1,0,1]=4 601 B12R1.455 CCCCSc1coc(c1)C=O 62a_100000210211_100000747035 [0,1,0,1,0,0|1,0,1]=4 602 B12R1.455 CCCCSc1coc(c1)C=O 62a_100000747035_100000210210 [0,1,0,1,0,0|1,0,1]=4 603 B12R1.455 CCCOCc1ccc(o1)C=O 34a_100000210258_200000079136 [0,1,0,1,0,0|1,0,1]=4 604 B12R1.455 CCCSCc1ccc(o1)C=O 62a_100000210303_200000079136 [0,1,0,1,0,0|1,0,1]=4 605 B12R1.1997 O=CCNCC1(CCCCC1)O 2230a_100000748649_200015260668 [0,1,0,1,0,0|0,0,2]=4 606 B12R1.1997 O=CCNCC1(CCCCC1)O 34a_100000748649_200009817547 [0,1,0,1,0,0|0,0,2]=4 607 B12R1.2279 O=CCNC1(CCCCC1)CO 2230a_100000740034_200015260668 [0,1,0,1,0,0|1,0,1]=4 608 B12R1.2279 O=CCNC1(CCCCC1)CO 34a_100000740034_200009817547 [0,1,0,1,0,0|1,0,1]=4 609 B12R1.457 CC1=CC(OC1=O)NCCCF 2230a_100015189416_200009893386 [0,1,0,1,0,0|2,0,0]=4 610 B12R1.457 CC1=CC(OC1=O)SCCCF 62a_100011934791_200009893386 [0,1,0,1,0,0|2,0,0]=4 611 B12R1.457 CC1=CC(OC1=O)SCCCF 62a_200009893386_100011934791 [0,1,0,1,0,0|2,0,0]=4 612 B12R1.457 CC1=CC(OC1=O)SCCCO 62a_100011215043_200009893386 [0,1,0,1,0,0|2,0,0]=4 613 B12R1.457 CC1=CC(OC1=O)SCCCO 62a_200009893386_100011215043 [0,1,0,1,0,0|2,0,0]=4 614 B12R1.457 CCCCNC1C=C(C(=O)O1)C 2230a_100000102301_200009893386 [0,1,0,1,0,0|1,0,0]=3 615 B12R1.457 CCCCSC1C=C(C(=O)O1)C 62a_100000210211_200009893386 [0,1,0,1,0,0|1,0,0]=3 616 B12R1.457 CCCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210210 [0,1,0,1,0,0|1,0,0]=3 617 B12R1.457 CCOCSC1C=C(C(=O)O1)C 62a_100000739092_200009893386 [0,1,0,1,0,0|2,0,0]=4 618 B12R1.457 CCOCSC1C=C(C(=O)O1)C 62a_200009893386_100000739092 [0,1,0,1,0,0|2,0,0]=4 619 B12R1.457 COCCNC1C=C(C(=O)O1)C 2230a_100000209980_200009893386 [0,1,0,1,0,0|2,0,0]=4 620 B12R1.457 COCCSC1C=C(C(=O)O1)C 62a_100000233755_200009893386 [0,1,0,1,0,0|2,0,0]=4 621 B12R1.457 COCCSC1C=C(C(=O)O1)C 62a_200009893386_100000233755 [0,1,0,1,0,0|2,0,0]=4 622 B12R1.457 CSCCNC1C=C(C(=O)O1)C 2230a_100020590264_200009893386 [0,1,0,1,0,0|2,0,0]=4 623 B12R1.457 CSCCSC1C=C(C(=O)O1)C 62a_100000212216_200009893386 [0,1,0,1,0,0|2,0,0]=4 624 B12R1.457 CSCCSC1C=C(C(=O)O1)C 62a_200009893386_100000751147 [0,1,0,1,0,0|2,0,0]=4 625 B12R1.1564 CC=CC(=O)C1CCCCCC1 1458a_100000210699_100011217769 [0,1,0,1,0,0|2,0,0]=4 626 B12R1.1564 O=C(C=CBr)C1CCCCCC1 1458a_100016273825_100011217769 [0,1,0,1,0,0|2,0,0]=4 627 B12R1.1564 O=C(C=CCl)C1CCCCCC1 1458a_200016279998_100011217769 [0,1,0,1,0,0|2,0,0]=4 628 B12R1.1564 O=C(C=CI)C1CCCCCC1 1458a_100016256311_100011217769 [0,1,0,1,0,0|2,0,0]=4 629 B12R1.1595 C=CCC(=O)C1(CCCCC1)O 1458a_100000242742_100000210623 [0,1,0,1,0,0|1,0,1]=4