0 B11R0.6 CC(=CCC/C(=C/C(=O)O)/C)C MCULE-1214369808 [0,0,0,0,0,0|0,0,0]=0 1 B11R0.6 CC(=CCC/C(=C\C(=O)O)/C)C MCULE-3232225553 [0,0,0,0,0,0|0,0,0]=0 2 B11R0.6 CC(=CCCC(=CC(=O)O)C)C MCULE-6185216642 [0,0,0,0,0,0|0,0,0]=0 3 B11R0.6 CC(=CCCC(C)CC(=O)O)C MCULE-3455137708 [0,0,0,0,0,0|0,0,2]=2 4 B11R0.6 CC(=CCC[C@@H](C)CC(=O)O)C MCULE-1765346802 [0,0,0,0,0,0|0,0,2]=2 5 B11R0.6 CC(=CCC[C@H](C)CC(=O)O)C MCULE-2400113823 [0,0,0,0,0,0|0,0,2]=2 6 B11R0.6 CC(=CCC[C@H](C)CC(=O)O)C MCULE-9691367682 [0,0,0,0,0,0|0,0,2]=2 7 B11R0.6 CC(=O)CC(=O)OCC=C(C)C MCULE-8502870263 [0,0,0,0,0,0|3,0,1]=4 8 B11R0.6 CC(=O)OC(C)CCC=C(C)C MCULE-4786049023 [0,0,0,0,0,0|2,0,1]=3 9 B11R0.6 CC(C)CCCC(C)CC(=O)O MCULE-9388582884 [0,0,0,0,0,0|0,0,4]=4 10 B11R0.6 [C@@H](C)(CCC=C(C)C)CC(=O)O MCULE-1438242882 [0,0,0,0,0,0|0,0,2]=2 11 B10R0.3 C/C(=C\CO)/CCCC(C)C MCULE-2452185402 [1,0,0,0,0,0|0,0,3]=4 12 B10R0.3 C=C(C)CCCC(=CC=O)C MCULE-3325268372 [1,0,0,0,0,0|0,0,2]=3 13 B10R0.3 C=CC=C(C)CCC=C(C)C MCULE-6184569010 [1,0,0,0,0,0|1,0,0]=2 14 B10R0.3 CC(=CCC/C(=C/C#N)/C)C MCULE-6692599891 [1,0,0,0,0,0|1,0,1]=3 15 B10R0.3 CC(=CCC/C(=C/C=O)/C)C MCULE-9879493059 [1,0,0,0,0,0|0,0,0]=1 16 B10R0.3 CC(=CCC/C(=C/CBr)/C)C MCULE-9024059261 [1,0,0,0,0,0|1,0,1]=3 17 B10R0.3 CC(=CCC/C(=C/CCl)/C)C MCULE-6843014043 [1,0,0,0,0,0|1,0,1]=3 18 B10R0.3 CC(=CCC/C(=C/CN)/C)C MCULE-7548252563 [1,0,0,0,0,0|1,0,1]=3 19 B10R0.3 CC(=CCC/C(=C/CN)/C)C MCULE-9951707217 [1,0,0,0,0,0|1,0,1]=3 20 B10R0.3 CC(=CCC/C(=C/CO)/C)C MCULE-9442424770 [1,0,0,0,0,0|0,0,1]=2 21 B10R0.3 CC(=CCC/C(=C\CO)/C)C MCULE-9192624300 [1,0,0,0,0,0|0,0,1]=2 22 B10R0.3 CC(=CCCC(=CC#N)C)C MCULE-7916897836 [1,0,0,0,0,0|1,0,1]=3 23 B10R0.3 CC(=CCCC(=CC=O)C)C MCULE-3630781826 [1,0,0,0,0,0|0,0,0]=1 24 B10R0.3 CC(=CCCC(=CCBr)C)C MCULE-5311545534 [1,0,0,0,0,0|1,0,1]=3 25 B10R0.3 CC(=CCCC(=CCCl)C)C MCULE-7655016155 [1,0,0,0,0,0|1,0,1]=3 26 B10R0.3 CC(=CCCC(=CCN)C)C MCULE-4232398028 [1,0,0,0,0,0|1,0,1]=3 27 B10R0.3 CC(=CCCC(=CCN)C)C MCULE-4493382694 [1,0,0,0,0,0|1,0,1]=3 28 B10R0.3 CC(=CCCC(=CCO)C)C MCULE-8438901369 [1,0,0,0,0,0|0,0,1]=2 29 B10R0.3 CC(=CCCC(C)CC=O)C MCULE-7345203515 [1,0,0,0,0,0|0,0,2]=3 30 B10R0.3 CC(=CCCC(C)CCO)C MCULE-4204888723 [1,0,0,0,0,0|0,0,3]=4 31 B10R0.3 CC(=CCCC(C)CCO)C MCULE-5978920721 [1,0,0,0,0,0|0,0,3]=4 32 B10R0.3 CC(=CCCC(C)NC=O)C MCULE-9904135046 [1,0,0,0,0,0|1,0,1]=3 33 B10R0.3 CC(=CCC[C@@H](C)CC=O)C MCULE-9069221095 [1,0,0,0,0,0|0,0,2]=3 34 B10R0.3 CC(=CCC[C@@H](C)CC=O)C MCULE-9469254915 [1,0,0,0,0,0|0,0,2]=3 35 B10R0.3 CC(=CCC[C@@H](C)CCO)C MCULE-3946157075 [1,0,0,0,0,0|0,0,3]=4 36 B10R0.3 CC(=CCC[C@@H](C)CCO)C MCULE-4399439382 [1,0,0,0,0,0|0,0,3]=4 37 B10R0.3 CC(=CCC[C@H](C)CC=O)C MCULE-8401226542 [1,0,0,0,0,0|0,0,2]=3 38 B10R0.3 CC(=CCC[C@H](C)CC=O)C MCULE-9019201073 [1,0,0,0,0,0|0,0,2]=3 39 B10R0.3 CC(=CCC[C@H](C)CCO)C MCULE-2407386794 [1,0,0,0,0,0|0,0,3]=4 40 B10R0.3 CC(=CCC[C@H](C)CCO)C MCULE-3900892809 [1,0,0,0,0,0|0,0,3]=4 41 B10R0.3 CC(=CCO)CCCC(C)C MCULE-2627205641 [1,0,0,0,0,0|0,0,3]=4 42 B10R0.97 CC(=CCCC=CC(=O)O)C MCULE-4585905513 [1,0,0,0,0,0|0,0,0]=1 43 B10R0.97 CC(=CCCCCC(=O)O)C MCULE-6679290438 [1,0,0,0,0,0|0,0,2]=3 44 B12R0.240 COC(=O)/C=C(\C)/CCC=C(C)C MCULE-6913797824 [0,1,0,0,0,0|0,0,0]=1 45 B12R0.240 COC(=O)C=C(C)CCC=C(C)C MCULE-2600851087 [0,1,0,0,0,0|0,0,0]=1 46 B12R0.240 COC(=O)CC(=O)CCC=C(C)C MCULE-6368682391 [0,1,0,0,0,0|1,0,1]=3 47 B12R1.498 CC(=C1CC[C@H]([C@@H]1C(=O)O)C)C MCULE-1138012403 [0,0,0,1,0,0|0,0,2]=3 48 B12R1.498 CC1=C(C(=NO1)C(C)C)C(=O)O MCULE-6206542910 [0,0,0,1,0,0|2,0,1]=4 49 B12R1.498 CC1=NNC(=C1C(=O)O)C(C)C MCULE-2107459200 [0,0,0,1,0,0|2,0,1]=4 50 B12R1.498 CC1=NOC(=C1C(=O)O)C(C)C MCULE-9497204526 [0,0,0,1,0,0|2,0,1]=4 51 B12R1.1258 CC1=C(C(CCC1)(C)C)C(=O)O MCULE-9150714373 [0,0,0,1,0,0|0,0,2]=3 52 B10R0.96 CC(C)CCC(C)CC(=O)O MCULE-4888752092 [0,0,0,0,1,0|0,0,3]=4 53 B10R0.98 CC(=CCCC(C)C(C)O)C MCULE-5850991547 [0,0,0,0,1,0|1,0,2]=4 54 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,0,0,0,1,0|1,0,2]=4 55 B10R0.98 CC(C)CCCC(C)C(=O)O MCULE-3667108752 [0,0,0,0,1,0|0,0,3]=4 56 B12R0.44 CC(=CCCC(=CCC(=O)O)C)C MCULE-9523336581 [0,0,0,0,0,1|0,0,0]=1 57 B9R0.1 C=C/C(=C/CC=C(C)C)/C MCULE-4471176275 [2,0,0,0,0,0|0,0,1]=3 58 B9R0.1 C=CC(=C)CCC=C(C)C MCULE-2247928070 [2,0,0,0,0,0|0,0,1]=3 59 B9R0.1 C=CC(=CCC=C(C)C)C MCULE-2222336240 [2,0,0,0,0,0|0,0,1]=3 60 B9R0.1 CC(=CCCC(C)C=O)C MCULE-6765236802 [2,0,0,0,0,0|0,0,1]=3 61 B9R0.2 C/C=C/C=C/C=C/C(=O)O MCULE-6705197372 [2,0,0,0,0,0|0,0,2]=4 62 B9R0.2 CCCCC/C=C/C(=O)O MCULE-5661205729 [2,0,0,0,0,0|0,0,2]=4 63 B9R0.2 CCCCCC=CC(=O)O MCULE-6969617806 [2,0,0,0,0,0|0,0,2]=4 64 B9R0.4 C=CCCC(=CC(=O)O)C MCULE-7109579460 [2,0,0,0,0,0|0,0,0]=2 65 B11R0.147 C(=N/O)\C=C(/C)\CCC=C(C)C MCULE-5600417698 [1,1,0,0,0,0|0,0,0]=2 66 B11R0.147 C(=NO)C=C(C)CCC=C(C)C MCULE-9674607930 [1,1,0,0,0,0|0,0,0]=2 67 B11R0.147 COCC=C(C)CCC=C(C)C MCULE-3963813373 [1,1,0,0,0,0|0,0,1]=3 68 B13R0.605 COC(C=C(C)CCC=C(C)C)OC MCULE-4350814470 [0,2,0,0,0,0|0,0,2]=4 69 B11R1.157 CC(=CC1CC(=CCO1)C)C MCULE-8051805329 [1,0,0,1,0,0|0,0,1]=3 70 B11R1.166 C1(CCC(=C(C)C)C(=O)C1)C MCULE-6326954661 [1,0,0,1,0,0|0,0,2]=4 71 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 MCULE-2108234131 [1,0,0,1,0,0|0,0,0]=2 72 B11R1.166 CC1=CC(=O)C(CC1)C(C)C MCULE-4165549141 [1,0,0,1,0,0|0,0,2]=4 73 B11R1.166 CC1=CC(=O)[C@@H](CC1)C(C)C MCULE-4320490300 [1,0,0,1,0,0|0,0,2]=4 74 B11R1.166 CC1=CC(=O)[C@@H](CC1)C(C)C MCULE-7213261889 [1,0,0,1,0,0|0,0,2]=4 75 B11R1.166 CC1=CC(=O)[C@H](CC1)C(C)C MCULE-1738202782 [1,0,0,1,0,0|0,0,2]=4 76 B11R1.166 [C@H]1(CCC(=C(C)C)C(=O)C1)C MCULE-1921650357 [1,0,0,1,0,0|0,0,2]=4 77 B11R1.166 [C@H]1(CCC(=C(C)C)C(=O)C1)C MCULE-3385582028 [1,0,0,1,0,0|0,0,2]=4 78 B11R1.172 CC(=CCCC1=COC=C1)C MCULE-1929621093 [1,0,0,1,0,0|0,0,1]=3 79 B11R1.424 CC1=C(C(CCC1)(C)C)C=O MCULE-7819289735 [1,0,0,1,0,0|0,0,2]=4 80 B11R1.156 CC1=CC=CC(=C1C(=O)O)C MCULE-5446094801 [1,0,0,1,0,0|0,0,2]=4 81 B11R1.156 CC1=CC=NC(=C1C(=O)O)C MCULE-6780333890 [1,0,0,1,0,0|1,0,1]=4 82 B11R1.156 CC1=CN=CC(=C1C(=O)O)C MCULE-5694688254 [1,0,0,1,0,0|1,0,1]=4 83 B11R1.156 CC1=NC=CC(=C1C(=O)O)C MCULE-2292120926 [1,0,0,1,0,0|1,0,1]=4 84 B11R1.742 O=C(O)C=C1CCCCCC1 MCULE-5228387881 [1,0,0,1,0,0|0,0,2]=4 85 B11R1.742 O=C(O)CC1CCC=CCC1 MCULE-8122130448 [1,0,0,1,0,0|0,0,2]=4 86 B11R1.20 CC1CCC(=CC(=O)O)CC1 MCULE-3219235277 [0,0,0,1,1,0|0,0,1]=3 87 B11R1.20 CN1CCC(=CC(=O)O)CC1 MCULE-7770881380 [0,0,0,1,1,0|1,0,0]=3 88 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)O MCULE-1885016168 [0,0,0,1,1,0|0,0,2]=4 89 B11R1.167 CC1=CC(=C(N=C1)C)C(=O)O MCULE-7887379446 [0,0,0,1,1,0|1,0,1]=4 90 B11R1.167 CC1=CN=C(C(=N1)C(=O)O)C MCULE-8886343567 [0,0,0,1,1,0|2,0,0]=4 91 B11R1.167 CC1=NC(=C(C=C1)C)C(=O)O MCULE-2823755864 [0,0,0,1,1,0|1,0,1]=4 92 B13R1.2814 CC1=C(C(CC(C1)O)(C)C)C(=O)O MCULE-2870166879 [0,1,0,1,0,0|0,0,2]=4 93 B13R1.2814 CC1=C(C(C[C@@H](C1)O)(C)C)C(=O)O MCULE-1892053048 [0,1,0,1,0,0|0,0,2]=4 94 B13R1.2814 CC1=C(C(C[C@@H](C1)O)(C)C)C(=O)O MCULE-6665826967 [0,1,0,1,0,0|0,0,2]=4 95 B13R1.898 CC1=C(C(CCC1O)(C)C)C(=O)O MCULE-7299270010 [0,1,0,1,0,0|0,0,2]=4 96 B13R1.898 CC1=C(C(CC[C@H]1O)(C)C)C(=O)O MCULE-5414334782 [0,1,0,1,0,0|0,0,2]=4 97 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [1,0,0,0,1,0|0,0,1]=3 98 B9R0.55 O=C(O)/C=C/CCC(=O)O MCULE-8825957011 [1,0,0,0,1,0|2,0,0]=4 99 B9R0.55 O=C(O)C=CCCC(=O)O MCULE-7591781771 [1,0,0,0,1,0|2,0,0]=4 100 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-3833333239 [0,0,0,0,2,0|1,0,1]=4 101 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-5949669555 [0,0,0,0,2,0|1,0,1]=4 102 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [0,0,0,0,2,0|1,0,1]=4 103 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [0,0,0,0,2,0|1,0,1]=4 104 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [0,0,0,0,2,0|1,0,1]=4 105 B9R0.7 CC(C)CCC(C)C(=O)O MCULE-8295273403 [0,0,0,0,2,0|0,0,2]=4 106 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-1367979399 [0,0,0,0,2,0|1,0,1]=4 107 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-7599864369 [0,0,0,0,2,0|1,0,1]=4 108 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [0,0,0,0,2,0|2,0,0]=4 109 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [0,0,0,0,2,0|2,0,0]=4 110 B13R0.1398 CC(=CCCC(=CCCC(C)O)C)C MCULE-1747478823 [0,0,0,0,0,2|1,0,1]=4 111 B13R0.1398 CC(=O)/C=C/C=C(\C)/CCC=C(C)C MCULE-1061888927 [0,0,0,0,0,2|1,0,0]=3 112 B13R0.1398 CC(=O)C=CC=C(C)CCC=C(C)C MCULE-2586104233 [0,0,0,0,0,2|1,0,0]=3 113 B13R0.1398 CC(=O)CC/C=C(/C)\CCC=C(C)C MCULE-8103346773 [0,0,0,0,0,2|1,0,0]=3 114 B13R0.1398 CC(=O)CC/C=C(\C)/CCC=C(C)C MCULE-9307860172 [0,0,0,0,0,2|1,0,0]=3 115 B13R0.1398 CC(=O)CCC=C(C)CCC=C(C)C MCULE-2477887012 [0,0,0,0,0,2|1,0,0]=3 116 B13R0.1398 CC(=O)OC/C=C(/C)\CCC=C(C)C MCULE-1470478178 [0,0,0,0,0,2|1,0,0]=3 117 B13R0.1398 CC(=O)OC/C=C(\C)/CCC=C(C)C MCULE-6156460578 [0,0,0,0,0,2|1,0,0]=3 118 B13R0.1398 CC(=O)OCC=C(C)CCC=C(C)C MCULE-5441019625 [0,0,0,0,0,2|1,0,0]=3