0 B11R1.230 CC1=NN(C=C1CCCN)C MCULE-2469482486 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.230 CCCCC1=C(SC(=C1)Br)Br MCULE-7208149683 [0,0,0,0,0,0|2,1,1]=4 2 B11R1.230 CCCCC1CC(=O)OC1=O MCULE-8172678394 [0,0,0,0,0,0|1,0,3]=4 3 B11R1.230 CCCCC1NC(=O)OC1=O MCULE-4116341118 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.230 CCCC[C@@H]1NC(=O)OC1=O MCULE-6325860341 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.230 CCCNC1=CN(N=C1C)C MCULE-3674316892 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.230 CCCNC1=CN(N=C1C)C MCULE-9284087588 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.230 CCNCC1=CN(N=C1C)C MCULE-1017934802 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.230 CCNCC1=CN(N=C1C)C MCULE-4779389143 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.16 CCCCN1C=C[N+](=C1)C MCULE-1193807127 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.16 CCCCN1C=C[N+](=C1)C MCULE-4318548354 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.16 CCCCN1C=C[N+](=C1)C MCULE-4404229846 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.16 CCCCN1C=C[N+](=C1)C MCULE-5329073358 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.16 CCCCN1C=C[N+](=C1)C MCULE-6010210890 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.16 CCCCN1C=C[N+](=C1)C MCULE-6314314921 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.16 CCCCN1C=C[N+](=C1)C MCULE-6429784848 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.16 CCCCN1C=C[N+](=C1)C MCULE-7811578459 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.16 CCCCN1C=C[N+](=C1)C MCULE-8709229298 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.16 CCCCN1C=C[N+](=C1)C MCULE-9381730216 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.16 CCCCN1C=C[N+](=C1)C MCULE-9716349057 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.16 CCCC[N+]1=CN(C=C1)C MCULE-1861384513 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.16 CCCC[N+]1=CN(C=C1)C MCULE-2021477465 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.16 CCCC[N+]1=CN(C=C1)C MCULE-3009694936 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.16 CCCNC1=CN(N=C1)C MCULE-1614419621 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.16 CCCNC1=CN(N=C1)C MCULE-2438033144 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.16 CCNCC1=CN(N=C1)C MCULE-3752720556 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.16 CCNCC1=CN(N=C1)C MCULE-7415678701 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.16 CCNCC1=CN(N=C1)C MCULE-7474492693 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.16 CN1C=C(C=N1)CCCBr MCULE-3476424382 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.16 CN1C=C(C=N1)CCCCl MCULE-5116473442 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.16 CN1C=C(C=N1)CCCCl MCULE-9026764186 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.16 CN1C=C(C=N1)CCCN MCULE-2856767572 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.16 CN1C=C(C=N1)CCCN MCULE-5807951146 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.16 CN1C=C(C=N1)CCCO MCULE-3249292701 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.16 CNCCC1=CN(N=C1)C MCULE-8294222869 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.16 COCCC1=CN(N=C1)C MCULE-3779852164 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.29 CCCCC1=C(SC=C1)Br MCULE-2746446157 [1,0,0,0,0,0|1,1,1]=4 37 B10R1.29 CCCCC1=CCCC1=O MCULE-3298793962 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.29 CCCCC1CCCC1=O MCULE-7853231747 [1,0,0,0,0,0|1,0,2]=4 39 B10R1.29 CCCCN1CCCC1=O MCULE-4214883053 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.29 NCCCC1CCOC1=O MCULE-4266690176 [1,0,0,0,0,0|1,0,2]=4 41 B10R1.29 NCCCC1CCOC1=O MCULE-9834041839 [1,0,0,0,0,0|1,0,2]=4 42 B10R1.29 NCCCN1CCOC1=O MCULE-4075677949 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.29 NCCCN1CCOC1=O MCULE-6730610957 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.29 O=C1OCCN1CCCBr MCULE-9124926426 [1,0,0,0,0,0|2,0,1]=4 45 B12R1.313 CC1=CC(=C(O1)C)C(O)CCN MCULE-9673460038 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.456 CCCCNC1=CN(N=C1C)C MCULE-3122303596 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.456 CCCCNC1=CN(N=C1C)C MCULE-4744013189 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.1624 COCCN1C(=O)NC(C1=O)C MCULE-6463447442 [0,1,0,0,0,0|3,0,0]=4 49 B10R0.6 CCCCCC(=O)OC(C)C MCULE-8358011398 [0,0,1,0,0,0|0,0,2]=3 50 B10R0.6 CCCCOC(=O)CC(C)C MCULE-9654609926 [0,0,1,0,0,0|2,0,1]=4 51 B10R0.6 CCCOCC(=O)OC(C)C MCULE-1754769634 [0,0,1,0,0,0|1,0,2]=4 52 B10R0.19 CCCCC(=O)C(=O)OCC MCULE-8276085890 [0,0,1,0,0,0|1,0,0]=2 53 B10R0.19 CCCCC(Br)C(=O)OCC MCULE-3410486181 [0,0,1,0,0,0|1,0,1]=3 54 B10R0.19 CCCCC(N)C(=O)OCC MCULE-5403085036 [0,0,1,0,0,0|1,0,1]=3 55 B10R0.19 CCCCC(O)C(=O)OCC MCULE-4503955337 [0,0,1,0,0,0|1,0,1]=3 56 B10R0.19 CCCNC(=O)C(=O)NCC MCULE-2442306979 [0,0,1,0,0,0|3,0,0]=4 57 B10R0.19 CCCNC(=O)C(=O)OCC MCULE-9964881273 [0,0,1,0,0,0|2,0,0]=3 58 B10R0.19 CCO/C=C(\C)/C(=O)OCC MCULE-3285358145 [0,0,1,0,0,0|1,0,2]=4 59 B10R0.19 CCOC(=O)C(=O)CCC#N MCULE-6951259135 [0,0,1,0,0,0|2,0,1]=4 60 B10R0.19 CCOC(=O)C(=O)NCOC MCULE-2485816788 [0,0,1,0,0,0|3,0,0]=4 61 B10R0.19 CCOC(=O)C(Br)CCCBr MCULE-3762513838 [0,0,1,0,0,0|2,0,1]=4 62 B10R0.19 CCOC(=O)C(N)CCCN MCULE-2555939527 [0,0,1,0,0,0|2,0,1]=4 63 B10R0.19 CCOC(=O)C(N)CCCN MCULE-4082808351 [0,0,1,0,0,0|2,0,1]=4 64 B10R0.19 CCOC(=O)C(N)CCCN MCULE-5372876457 [0,0,1,0,0,0|2,0,1]=4 65 B10R0.19 CCOC(=O)C(N)CCCN MCULE-8592429166 [0,0,1,0,0,0|2,0,1]=4 66 B10R0.19 CCOC(=O)C(N)CCSC MCULE-3027327514 [0,0,1,0,0,0|2,0,1]=4 67 B10R0.19 CCOC(=O)C(N)CCSC MCULE-5873613959 [0,0,1,0,0,0|2,0,1]=4 68 B10R0.19 CCOC(=O)C(N)CCSC MCULE-6683307625 [0,0,1,0,0,0|2,0,1]=4 69 B10R0.19 CCOC(=O)C(N)CCSC MCULE-9963255300 [0,0,1,0,0,0|2,0,1]=4 70 B10R0.19 CCOC(=O)C(O)CCSC MCULE-5087273039 [0,0,1,0,0,0|2,0,1]=4 71 B10R0.19 CCOC(=O)[C@@H](N)CCCN MCULE-1256058333 [0,0,1,0,0,0|2,0,1]=4 72 B10R0.19 CCOC(=O)[C@@H](N)CCCN MCULE-1955429029 [0,0,1,0,0,0|2,0,1]=4 73 B10R0.19 CCOC(=O)[C@@H](N)CCCN MCULE-5817990493 [0,0,1,0,0,0|2,0,1]=4 74 B10R0.19 CCOC(=O)[C@@H](N)CCCN MCULE-6543729272 [0,0,1,0,0,0|2,0,1]=4 75 B10R0.19 CCOC(=O)[C@@H](N)CCCN MCULE-6712624243 [0,0,1,0,0,0|2,0,1]=4 76 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-2603296581 [0,0,1,0,0,0|2,0,1]=4 77 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-6126904564 [0,0,1,0,0,0|2,0,1]=4 78 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-6254414481 [0,0,1,0,0,0|2,0,1]=4 79 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-6350339090 [0,0,1,0,0,0|2,0,1]=4 80 B10R0.19 CCOC=C(C)C(=O)OCC MCULE-1075672413 [0,0,1,0,0,0|1,0,2]=4 81 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-4024487209 [0,0,1,0,0,0|2,0,1]=4 82 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-4906972094 [0,0,1,0,0,0|2,0,1]=4 83 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-5780620225 [0,0,1,0,0,0|2,0,1]=4 84 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-6331108043 [0,0,1,0,0,0|2,0,1]=4 85 B10R0.88 CCCC(CCCO)C(=O)O MCULE-4581279785 [0,0,1,0,0,0|1,0,2]=4 86 B10R0.88 CCCCC(CCC)C(=O)C MCULE-9579571137 [0,0,1,0,0,0|1,0,2]=4 87 B10R0.88 CCCCC(CCC)C(=O)O MCULE-6453713560 [0,0,1,0,0,0|0,0,2]=3 88 B10R0.88 CCCCC(OCC)C(=O)O MCULE-8965525992 [0,0,1,0,0,0|1,0,1]=3 89 B12R2.2028 CC1CC(=O)C2=C1CCCC2 MCULE-2320815624 [0,0,0,1,0,0|1,0,0]=2 90 B12R2.2028 CN1N=C(C2=C1CCCC2)N MCULE-4806225791 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.2028 CN1N=C(C2=C1CCCC2)N MCULE-5021116131 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.2028 CN1NC(=O)C2=C1CCCC2 MCULE-7672181396 [0,0,0,1,0,0|2,0,0]=3 93 B12R2.2028 O=C1NC(=O)C2=C1CCCC2 MCULE-8228446314 [0,0,0,1,0,0|2,0,1]=4 94 B12R2.2028 O=C1OC(=O)C2=C1CCCC2 MCULE-1158671172 [0,0,0,1,0,0|1,0,1]=3 95 B12R1.69 CCCCC1=CC=C(C=C1O)C MCULE-1266562979 [0,0,0,0,0,1|1,0,2]=4 96 B12R1.69 CCCCN1C=NC(=CC1=O)C MCULE-2120761808 [0,0,0,0,0,1|2,0,1]=4 97 B12R1.69 CCCOC1=CNC(=CC1=O)C MCULE-8154332603 [0,0,0,0,0,1|2,0,1]=4 98 B12R1.374 CCCCC1=CC(=CC=C1O)C MCULE-2329173129 [0,0,0,0,0,1|1,0,2]=4 99 B9R0.5 C=COC(=O)CCCCC MCULE-9610448604 [1,0,1,0,0,0|0,0,2]=4 100 B9R0.5 CCC/C=C/C(=O)OCC MCULE-4832092410 [1,0,1,0,0,0|0,0,1]=3 101 B9R0.5 CCCC#CC(=O)OCC MCULE-5376486364 [1,0,1,0,0,0|0,0,2]=4 102 B9R0.5 CCCC=CC(=O)OCC MCULE-6059990808 [1,0,1,0,0,0|0,0,1]=3 103 B9R0.5 CCCCCC(=O)CCC MCULE-5706146235 [1,0,1,0,0,0|1,0,1]=4 104 B9R0.5 CCCCCC(=O)OCC MCULE-5403677128 [1,0,1,0,0,0|0,0,1]=3 105 B9R0.5 CCCCCC(C)CC=O MCULE-4528527314 [1,0,1,0,0,0|1,0,1]=4 106 B9R0.5 CCCCNC(=O)CCC MCULE-7141834161 [1,0,1,0,0,0|2,0,0]=4 107 B9R0.5 CCCCNC(=O)NCC MCULE-3629972521 [1,0,1,0,0,0|2,0,0]=4 108 B9R0.5 CCCCNC(=O)OCC MCULE-8548277091 [1,0,1,0,0,0|1,0,0]=3 109 B9R0.5 CCCCOC(=O)CCC MCULE-3979612740 [1,0,1,0,0,0|2,0,0]=4 110 B9R0.5 CCCNCC(=O)OCC MCULE-1614665340 [1,0,1,0,0,0|1,0,1]=4 111 B9R0.5 CCNCCC(=O)OCC MCULE-5511872214 [1,0,1,0,0,0|1,0,1]=4 112 B9R0.5 CCO/C=C/C(=O)OCC MCULE-1507361975 [1,0,1,0,0,0|1,0,1]=4 113 B9R0.5 CCO/N=C/C(=O)OCC MCULE-5936482731 [1,0,1,0,0,0|2,0,0]=4 114 B9R0.5 CCO/N=C/C(=O)OCC MCULE-6380511451 [1,0,1,0,0,0|2,0,0]=4 115 B9R0.5 CCOC(=O)C=CCCBr MCULE-9357314783 [1,0,1,0,0,0|1,0,1]=4 116 B9R0.5 CCOC(=O)C=CCCO MCULE-2905144053 [1,0,1,0,0,0|1,0,1]=4 117 B9R0.5 CCOC(=O)CCCCBr MCULE-9188586817 [1,0,1,0,0,0|1,0,1]=4 118 B9R0.5 CCOC(=O)CCCCCl MCULE-8211485770 [1,0,1,0,0,0|1,0,1]=4 119 B9R0.5 CCOC(=O)CCCCI MCULE-9427602912 [1,0,1,0,0,0|1,0,1]=4 120 B9R0.5 CCOC(=O)CCCCN MCULE-3254365356 [1,0,1,0,0,0|1,0,1]=4 121 B9R0.5 CCOC(=O)CCCCN MCULE-6113178932 [1,0,1,0,0,0|1,0,1]=4 122 B9R0.5 CCOC(=O)CCCCO MCULE-3157415426 [1,0,1,0,0,0|1,0,1]=4 123 B9R0.5 CCOC=CC(=O)OCC MCULE-6557988220 [1,0,1,0,0,0|1,0,1]=4 124 B9R0.5 CCOCCC(=O)OCC MCULE-8331611688 [1,0,1,0,0,0|1,0,1]=4 125 B9R0.45 CCCC/C=C/C=C/C=O MCULE-8109760299 [1,0,1,0,0,0|1,0,1]=4 126 B9R0.45 CCCCC=CC=CC=O MCULE-6291163980 [1,0,1,0,0,0|1,0,1]=4 127 B9R0.45 CCCCCCCOC=O MCULE-6396391540 [1,0,1,0,0,0|0,0,2]=4 128 B9R0.46 CCCCCCC(C)C=O MCULE-4073561137 [1,0,1,0,0,0|0,0,2]=4 129 B9R0.4 CC(C)OC(=O)CCCN MCULE-4793466202 [1,0,1,0,0,0|1,0,1]=4 130 B9R0.4 CC(C)OC(=O)CCCN MCULE-9030704140 [1,0,1,0,0,0|1,0,1]=4 131 B9R0.4 CCCCC(=O)CC(C)C MCULE-5810585247 [1,0,1,0,0,0|1,0,1]=4 132 B9R0.8 CCCCC(Br)C(=O)OC MCULE-4103872528 [1,0,1,0,0,0|1,0,1]=4 133 B9R0.8 CCCCC(N)C(=O)OC MCULE-1230899944 [1,0,1,0,0,0|1,0,1]=4 134 B9R0.8 CCCCC(N)C(=O)OC MCULE-8455548704 [1,0,1,0,0,0|1,0,1]=4 135 B9R0.8 CCCCC(S)C(=O)OC MCULE-3094220494 [1,0,1,0,0,0|1,0,1]=4 136 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-3834316771 [1,0,1,0,0,0|1,0,1]=4 137 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-4089310144 [1,0,1,0,0,0|1,0,1]=4 138 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8244695684 [1,0,1,0,0,0|1,0,1]=4 139 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8512513571 [1,0,1,0,0,0|1,0,1]=4 140 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-1675626630 [1,0,1,0,0,0|1,0,1]=4 141 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-3850807479 [1,0,1,0,0,0|1,0,1]=4 142 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-6677668966 [1,0,1,0,0,0|1,0,1]=4 143 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-9798725861 [1,0,1,0,0,0|1,0,1]=4 144 B9R0.8 COC(=O)C(=O)CCCBr MCULE-8546187031 [1,0,1,0,0,0|2,0,0]=4 145 B9R0.8 COC(=O)C(=O)CCCCl MCULE-2958576452 [1,0,1,0,0,0|2,0,0]=4 146 B9R0.35 C=C(CCC)C(=O)OCC MCULE-6119854466 [1,0,1,0,0,0|0,0,0]=2 147 B9R0.35 C=C(OCC)C(=O)OCC MCULE-9191149585 [1,0,1,0,0,0|1,0,0]=3 148 B9R0.35 CCCC(=O)C(=O)OCC MCULE-2397358060 [1,0,1,0,0,0|1,0,0]=3 149 B9R0.35 CCCC(Br)C(=O)OCC MCULE-1641585625 [1,0,1,0,0,0|1,0,1]=4 150 B9R0.35 CCCC(C)C(=O)OCC MCULE-6427957662 [1,0,1,0,0,0|0,0,2]=4 151 B9R0.35 CCCC(Cl)C(=O)OCC MCULE-2230642797 [1,0,1,0,0,0|1,0,1]=4 152 B9R0.35 CCCC(N)C(=O)OCC MCULE-2079160613 [1,0,1,0,0,0|1,0,1]=4 153 B9R0.35 CCCC(N)C(=O)OCC MCULE-2244229552 [1,0,1,0,0,0|1,0,1]=4 154 B9R0.35 CCCC(N)C(=O)OCC MCULE-3263328358 [1,0,1,0,0,0|1,0,1]=4 155 B9R0.35 CCCC(N)C(=O)OCC MCULE-7880644615 [1,0,1,0,0,0|1,0,1]=4 156 B9R0.35 CCCC(O)C(=O)OCC MCULE-6556101983 [1,0,1,0,0,0|1,0,1]=4 157 B9R0.35 CCCN(N)C(=O)OCC MCULE-9670705824 [1,0,1,0,0,0|2,0,0]=4 158 B9R0.35 CCC[C@@H](N)C(=O)OCC MCULE-1531063816 [1,0,1,0,0,0|1,0,1]=4 159 B9R0.35 CCC[C@@H](N)C(=O)OCC MCULE-7568828812 [1,0,1,0,0,0|1,0,1]=4 160 B9R0.35 CCC[C@H](N)C(=O)OCC MCULE-3035934367 [1,0,1,0,0,0|1,0,1]=4 161 B9R0.35 CCC[C@H](N)C(=O)OCC MCULE-4542516474 [1,0,1,0,0,0|1,0,1]=4 162 B9R0.35 CCC[C@H](N)C(=O)OCC MCULE-6667556654 [1,0,1,0,0,0|1,0,1]=4 163 B9R0.35 CCC[C@H](N)C(=O)OCC MCULE-8895399157 [1,0,1,0,0,0|1,0,1]=4 164 B9R0.35 CCNC(=O)C(=O)OCC MCULE-4356943049 [1,0,1,0,0,0|2,0,0]=4 165 B9R0.35 CCOC(=N)C(=O)OCC MCULE-5378944597 [1,0,1,0,0,0|2,0,0]=4 166 B9R0.35 CCOC(=N)C(=O)OCC MCULE-6324621139 [1,0,1,0,0,0|2,0,0]=4 167 B9R0.35 CCOC(=O)C(=O)OCC MCULE-5264218494 [1,0,1,0,0,0|2,0,0]=4 168 B9R0.40 CCCCC(C=O)CCC MCULE-8456289921 [1,0,1,0,0,0|0,0,2]=4 169 B9R0.13 CCC(CCOC)C(=O)O MCULE-9329790915 [1,0,1,0,0,0|1,0,1]=4 170 B9R0.13 CCCC=C(CC)C(=O)O MCULE-2193027210 [1,0,1,0,0,0|0,0,1]=3 171 B9R0.13 CCCCC(CC)C(=O)C MCULE-6594996935 [1,0,1,0,0,0|1,0,1]=4 172 B9R0.13 CCCCC(CC)C(=O)Cl MCULE-5129133966 [1,0,1,0,0,0|1,0,1]=4 173 B9R0.13 CCCCC(CC)C(=O)N MCULE-6741704780 [1,0,1,0,0,0|1,0,1]=4 174 B9R0.13 CCCCC(CC)C(=O)O MCULE-5686478683 [1,0,1,0,0,0|0,0,1]=3 175 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6405828438 [1,0,1,0,0,0|0,0,2]=4 176 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6841285360 [1,0,1,0,0,0|0,0,2]=4 177 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-9345456808 [1,0,1,0,0,0|0,0,2]=4 178 B9R0.13 CCCCC(CN)C(=O)O MCULE-6509321720 [1,0,1,0,0,0|1,0,1]=4 179 B9R0.13 CCCCC(CO)C(=O)O MCULE-7586035948 [1,0,1,0,0,0|1,0,1]=4 180 B9R0.13 CCCCC(NC)C(=O)O MCULE-1290797295 [1,0,1,0,0,0|1,0,1]=4 181 B9R0.13 CCCCC(OC)C(=O)O MCULE-4251070702 [1,0,1,0,0,0|1,0,1]=4 182 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-3017621334 [1,0,1,0,0,0|0,0,1]=3 183 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-9782965208 [1,0,1,0,0,0|0,0,1]=3 184 B9R0.13 CCCC[C@@H](CN)C(=O)O MCULE-8769717308 [1,0,1,0,0,0|1,0,1]=4 185 B9R0.13 CCCC[C@@H](CO)C(=O)O MCULE-4035754044 [1,0,1,0,0,0|1,0,1]=4 186 B9R0.13 CCCC[C@H](CC)C(=O)O MCULE-7435371149 [1,0,1,0,0,0|0,0,1]=3 187 B9R0.13 CCCC[C@H](CN)C(=O)O MCULE-3507398764 [1,0,1,0,0,0|1,0,1]=4 188 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-1956509117 [1,0,1,0,0,0|1,0,1]=4 189 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-3776577040 [1,0,1,0,0,0|1,0,1]=4 190 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-2734051077 [1,0,1,0,0,0|1,0,1]=4 191 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-3251368399 [1,0,1,0,0,0|1,0,1]=4 192 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-5821422660 [1,0,1,0,0,0|1,0,1]=4 193 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-6933942099 [1,0,1,0,0,0|1,0,1]=4 194 B9R0.15 CCC=C(CCC)C(=O)O MCULE-6379126755 [1,0,1,0,0,0|0,0,0]=2 195 B9R0.15 CCCC(CCC)C(=O)O MCULE-7136317196 [1,0,1,0,0,0|0,0,2]=4 196 B9R0.15 CCCC(OCC)C(=O)O MCULE-7197686501 [1,0,1,0,0,0|1,0,1]=4 197 B9R1.12 BrCCCC1=CON=C1 MCULE-5182190048 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.12 CCCCC1=CSC=C1 MCULE-8912624521 [2,0,0,0,0,0|0,1,1]=4 199 B9R1.12 CCNCC1=COC=C1 MCULE-4701680449 [2,0,0,0,0,0|1,0,1]=4 200 B9R1.12 NCCCC1=CON=C1 MCULE-4154972600 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.12 NCCCC1=CON=C1 MCULE-9840251279 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.12 OCCCC1=COC=C1 MCULE-9870600375 [2,0,0,0,0,0|1,0,1]=4 203 B9R1.12 OCCCC1=CON=C1 MCULE-6394114363 [2,0,0,0,0,0|2,0,0]=4 204 B11R0.2 CCCCCCC(C)OC(=O)C MCULE-6230359539 [0,1,1,0,0,0|0,0,2]=4 205 B11R0.165 CCCCCC(=O)OC(C)(C)C MCULE-2750801375 [0,1,1,0,0,0|0,0,2]=4 206 B11R0.11 CCCOC(=O)C(=O)OCCC MCULE-6621348751 [0,1,1,0,0,0|2,0,0]=4 207 B11R0.43 CCOC(=O)C(=O)CC(=O)CC MCULE-7503341598 [0,1,1,0,0,0|1,0,1]=4 208 B11R0.43 CCOC(=O)C(=O)NC(C)CC MCULE-7241285801 [0,1,1,0,0,0|2,0,0]=4 209 B11R0.43 CCOC(=O)C(N)CC(C)CC MCULE-4805179368 [0,1,1,0,0,0|1,0,1]=4 210 B11R0.59 CCOC(=O)C(=O)CCC(C)C MCULE-6372484335 [0,1,1,0,0,0|1,0,0]=3 211 B11R0.59 CCOC(=O)C(=O)NCC(C)C MCULE-5612658405 [0,1,1,0,0,0|2,0,0]=4 212 B11R0.177 C=C(C(=O)OCC)C(=O)OCC MCULE-5039132795 [0,1,1,0,0,0|1,0,1]=4 213 B11R0.191 CCCC=C(C#N)C(=O)OCC MCULE-6892816836 [0,1,1,0,0,0|0,0,2]=4 214 B11R0.191 CCCCC(C#N)C(=O)OCC MCULE-1166635943 [0,1,1,0,0,0|0,0,2]=4 215 B11R0.191 CCCCC(CC)C(=O)OCC MCULE-2605373518 [0,1,1,0,0,0|0,0,2]=4 216 B11R0.191 CCCCC(CN)C(=O)OCC MCULE-1000947252 [0,1,1,0,0,0|0,0,2]=4 217 B11R0.247 CCCCC(C)(C)C(=O)OCC MCULE-5129863144 [0,1,1,0,0,0|0,0,2]=4 218 B11R0.247 CCCCC(F)(F)C(=O)OCC MCULE-6628469877 [0,1,1,0,0,0|1,0,1]=4 219 B11R0.36 CCCCC(CCCC)C(=O)O MCULE-5435336580 [0,1,1,0,0,0|0,0,2]=4 220 B11R0.78 CCCC(CCCCN)C(=O)O MCULE-1663275054 [0,1,1,0,0,0|0,0,2]=4 221 B11R0.78 CCCC(CCCCN)C(=O)O MCULE-1979773774 [0,1,1,0,0,0|0,0,2]=4 222 B11R0.78 CCCCCC(CCC)C(=O)O MCULE-5222815142 [0,1,1,0,0,0|0,0,2]=4 223 B11R0.146 CCCC(=CCC(C)C)C(=O)O MCULE-2326280646 [0,1,1,0,0,0|0,0,2]=4 224 B11R1.27 CCCCNC1=CN(N=C1)C MCULE-7886302207 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.27 CCCCNC1=CN(N=C1)C MCULE-9746971440 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.27 CCCNCC1=CN(N=C1)C MCULE-5718570516 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.27 CCCNCC1=CN(N=C1)C MCULE-7358990209 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.27 CN1C=C(C=N1)CCCCN MCULE-8069487308 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.27 CNCCCC1=CN(N=C1)C MCULE-2580401967 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.180 CCCCC=C1CCCC1=O MCULE-3061361246 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.180 CCCCCC1=CCCC1=O MCULE-2643922279 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.465 CCCCC1=C(CCC1=O)C MCULE-3854801059 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.465 CCCCC1=C(ON=C1O)C MCULE-7959852572 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.645 CC(O)CN1CC(OC1=O)C MCULE-2947492543 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.757 CCCCOC1=CC(=O)C1=O MCULE-3274813844 [0,1,0,0,1,0|1,0,1]=4 236 B13R1.558 CCCCN1CC(OCC1=O)CN MCULE-6837219422 [0,1,0,0,0,1|1,0,1]=4 237 B13R1.3467 CC(C)CCN1C(=O)N[C@H](C1=O)C MCULE-4675023159 [0,2,0,0,0,0|2,0,0]=4 238 B11R1.349 CCOC(=O)C(=C1CCC1)C MCULE-6744761947 [0,0,1,1,0,0|0,0,2]=4 239 B11R1.349 CCOC(=O)C(=O)C1CCC1 MCULE-5450769175 [0,0,1,1,0,0|1,0,0]=3 240 B11R1.349 CCOC(=O)C(Br)C1CCC1 MCULE-6502193467 [0,0,1,1,0,0|1,0,1]=4 241 B11R1.349 CCOC(=O)C(C)C1CCC1 MCULE-2720966590 [0,0,1,1,0,0|0,0,2]=4 242 B11R1.349 CCOC(=O)C(N)C1CCC1 MCULE-3013347046 [0,0,1,1,0,0|1,0,1]=4 243 B11R1.349 CCOC(=O)C(N)C1CCC1 MCULE-5103014293 [0,0,1,1,0,0|1,0,1]=4 244 B11R1.351 CCOC(=O)/C(=C\C1CC1)/C MCULE-5165880667 [0,0,1,1,0,0|0,0,2]=4 245 B11R1.351 CCOC(=O)C(=O)CC1CC1 MCULE-6434034556 [0,0,1,1,0,0|1,0,0]=3 246 B11R1.351 CCOC(=O)C(=O)NC1CC1 MCULE-9960994917 [0,0,1,1,0,0|2,0,0]=4 247 B11R1.351 CCOC(=O)C(N)CC1CC1 MCULE-9111044349 [0,0,1,1,0,0|1,0,1]=4 248 B11R1.351 CCOC(=O)C(N)CC1CC1 MCULE-9333264999 [0,0,1,1,0,0|1,0,1]=4 249 B11R1.819 CCOC(=O)C1(CCCC1)Br MCULE-6795532059 [0,0,1,1,0,0|1,0,1]=4 250 B11R1.819 CCOC(=O)C1(CCCC1)C MCULE-3454924880 [0,0,1,1,0,0|0,0,2]=4 251 B11R1.819 CCOC(=O)C1(CCCC1)N MCULE-2293395114 [0,0,1,1,0,0|1,0,1]=4 252 B11R1.819 CCOC(=O)C1(CCCC1)N MCULE-3483813751 [0,0,1,1,0,0|1,0,1]=4 253 B11R1.819 CCOC(=O)C1(CCCC1)O MCULE-9145127134 [0,0,1,1,0,0|1,0,1]=4 254 B11R1.834 CCOC(=O)C1(CC1CC)N MCULE-5429816481 [0,0,1,1,0,0|1,0,1]=4 255 B11R1.834 CCOC(=O)C1(CC1CC)N MCULE-7617822499 [0,0,1,1,0,0|1,0,1]=4 256 B11R1.834 CCOC(=O)[C@]1(C[C@H]1CC)N MCULE-3287564047 [0,0,1,1,0,0|1,0,1]=4 257 B11R1.834 CCOC(=O)[C@]1(C[C@H]1CC)N MCULE-9874290560 [0,0,1,1,0,0|1,0,1]=4 258 B11R1.86 CC(C)C=C1CCCCC1=O MCULE-4497275799 [0,0,1,1,0,0|1,0,0]=3 259 B11R1.86 CN(C)/C=C/1\CCCCC1=O MCULE-2158891911 [0,0,1,1,0,0|2,0,0]=4 260 B11R1.86 CN(C)/C=C/1\CCCCC1=O MCULE-8954285344 [0,0,1,1,0,0|2,0,0]=4 261 B11R1.86 CN(C)C=C1CCCCC1=O MCULE-4711423374 [0,0,1,1,0,0|2,0,0]=4 262 B11R1.86 CN(C)C=C1CCCCC1=O MCULE-9323397085 [0,0,1,1,0,0|2,0,0]=4 263 B11R1.21 CC1CCC(CC1C)C(=O)O MCULE-5819111297 [0,0,1,1,0,0|0,0,2]=4 264 B11R1.193 CCCC1CCCC1C(=O)O MCULE-1492543766 [0,0,1,1,0,0|0,0,2]=4 265 B11R1.193 CCCC1CCNC1C(=O)O MCULE-3288508053 [0,0,1,1,0,0|1,0,1]=4 266 B11R1.193 CCCC1CCNC1C(=O)O MCULE-8057933085 [0,0,1,1,0,0|1,0,1]=4 267 B11R1.706 O=C(O)C1CCCCCCC1 MCULE-7220278799 [0,0,1,1,0,0|0,0,2]=4 268 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2852082428 [0,0,1,1,0,0|1,0,1]=4 269 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2931630393 [0,0,1,1,0,0|1,0,1]=4 270 B11R1.1239 CCOC1(CCCC1)C(=O)O MCULE-4011994377 [0,0,1,1,0,0|1,0,1]=4 271 B11R2.1 CC1=C2CCCCC2=CN1 MCULE-1611509637 [1,0,0,1,0,0|1,0,1]=4 272 B11R2.202 O=C1OC(=O)C2=C1CCC2 MCULE-6315971440 [1,0,0,1,0,0|1,0,1]=4 273 B11R2.200 CC12CCCCC1C(=O)N2 MCULE-5779684194 [0,0,0,1,1,0|1,0,1]=4 274 B13R2.328 CC1=NC2=C(CCCC2)C(=O)N1 MCULE-1800339049 [0,0,0,1,0,1|1,0,1]=4 275 B13R2.328 O=C1NC2=C(CCCC2)C(=O)O1 MCULE-7643480090 [0,0,0,1,0,1|1,0,1]=4 276 B13R2.4023 O=C1OC(=O)C2=C1CCCCC2 MCULE-9616259526 [0,1,0,1,0,0|1,0,1]=4 277 B13R2.4023 O=C1OC(C2=C1CCCCC2)O MCULE-7677780224 [0,1,0,1,0,0|1,0,0]=3 278 B13R3.793 O=C1OC2CC3CCC2C1C3 MCULE-5646698014 [0,0,0,2,0,0|0,0,2]=4 279 B9R0.47 C=C(C)C(=O)NCCCC MCULE-9430540018 [0,0,1,0,1,0|1,0,1]=4 280 B9R0.47 C=C(C)C(=O)OCCCC MCULE-4077978269 [0,0,1,0,1,0|1,0,1]=4 281 B9R0.47 CCCCNC(=O)C(C)Cl MCULE-2719675622 [0,0,1,0,1,0|2,0,0]=4 282 B9R0.47 CCCCNC(=O)C(C)N MCULE-4253248059 [0,0,1,0,1,0|2,0,0]=4 283 B9R0.47 CCCCNC(=O)C(C)N MCULE-8572862511 [0,0,1,0,1,0|2,0,0]=4 284 B9R0.47 CCCCOC(=O)C(C)Br MCULE-6889056012 [0,0,1,0,1,0|2,0,0]=4 285 B9R0.47 CCCCOC(=O)C(C)C MCULE-8044191721 [0,0,1,0,1,0|1,0,1]=4 286 B9R0.47 CCCCOC(=O)C(C)Cl MCULE-6249824991 [0,0,1,0,1,0|2,0,0]=4 287 B9R0.47 CCCCOC(=O)C(C)N MCULE-6698387089 [0,0,1,0,1,0|2,0,0]=4 288 B9R0.47 CCCCOC(=O)C(C)N MCULE-7945035592 [0,0,1,0,1,0|2,0,0]=4 289 B9R0.47 CCCCOC(=O)C(C)O MCULE-5462693192 [0,0,1,0,1,0|2,0,0]=4 290 B9R0.47 CCCCOC(=O)[C@H](C)N MCULE-2792391954 [0,0,1,0,1,0|2,0,0]=4 291 B9R0.47 CCCCOC(=O)[C@H](C)N MCULE-6349393296 [0,0,1,0,1,0|2,0,0]=4 292 B9R0.47 CCCCOC(=O)[C@H](C)N MCULE-8849216267 [0,0,1,0,1,0|2,0,0]=4 293 B9R0.47 CCCCOC(=O)[C@H](C)N MCULE-9489465885 [0,0,1,0,1,0|2,0,0]=4 294 B9R0.47 CCCCOC(=O)[C@H](C)O MCULE-5423028657 [0,0,1,0,1,0|2,0,0]=4 295 B9R0.47 CCCCOC(=O)[C@H](C)O MCULE-8076552166 [0,0,1,0,1,0|2,0,0]=4 296 B11R0.46 CCCCCC(=O)OCC(C)C MCULE-1038002118 [0,0,1,0,0,1|0,0,2]=4 297 B11R1.1 CCCCC1=CC=C(C=C1)C MCULE-9857515677 [1,0,0,0,0,1|1,0,1]=4 298 B11R1.1 CCCCC1=CN=C(C=C1)C MCULE-7865531586 [1,0,0,0,0,1|1,0,1]=4