0 B11R1.3 C1(CC=C(CC1)C=O)C(=C)C MCULE-2913420738 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.3 C=C(C)C1CC=C(CC1)CO MCULE-1420218917 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.3 C=C(C)[C@@H]1CC=C(CC1)C=O MCULE-1776810440 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.3 C=C(C)[C@@H]1CC=C(CC1)CO MCULE-6424076438 [0,0,0,0,0,0|0,0,2]=2 4 B11R1.3 C=C(C)[C@@H]1CC=C(CC1)CO MCULE-8025124711 [0,0,0,0,0,0|0,0,2]=2 5 B11R1.3 C=C(C)[C@H]1CC=C(CC1)C=O MCULE-2996712066 [0,0,0,0,0,0|0,0,0]=0 6 B11R1.3 CC(=O)N1CCC(CC1)C=O MCULE-7906855276 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.3 CC(=O)N1CCN(CC1)C=O MCULE-8153671079 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.3 CC(C)[C@H]1CC[C@@H](CC1)C=O MCULE-8617365920 [0,0,0,0,0,0|0,0,4]=4 9 B11R1.3 NC(=O)C1CCN(CC1)C=O MCULE-2439069169 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.3 O=CN1CCC(CC1)C(=O)O MCULE-3355259649 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.3 [C@H]1(CC=C(CC1)C=O)C(=C)C MCULE-2280015640 [0,0,0,0,0,0|0,0,0]=0 12 B10R1.3 C=CC1CCC(OC1)C=C MCULE-7834588459 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.3 CCC1CCC(CC1)C=O MCULE-3949790436 [1,0,0,0,0,0|0,0,3]=4 14 B10R1.3 CC[C@H]1CC[C@@H](CC1)C=O MCULE-2034914930 [1,0,0,0,0,0|0,0,3]=4 15 B10R1.3 COC1CCC(CC1)C=O MCULE-5122127738 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.3 O=CC1CCC(CC1)C=O MCULE-2936389097 [1,0,0,0,0,0|1,0,2]=4 17 B10R1.13 C=C(C)C1=CC=C(CC1)C MCULE-8568677604 [1,0,0,0,0,0|0,0,3]=4 18 B10R1.13 C=C(C)C1CC=C(CC1)C MCULE-2462317444 [1,0,0,0,0,0|0,0,1]=2 19 B10R1.13 C=C(C)[C@@H]1CC=C(CC1)C MCULE-5992544838 [1,0,0,0,0,0|0,0,1]=2 20 B10R1.13 C=C(C)[C@@H]1CC=C(CC1)C MCULE-6736529827 [1,0,0,0,0,0|0,0,1]=2 21 B10R1.13 C=C(C)[C@H]1C=C[C@@H](CC1)C MCULE-4843276428 [1,0,0,0,0,0|0,0,3]=4 22 B10R1.13 C=C(C)[C@H]1CC=C(CC1)C MCULE-1385130554 [1,0,0,0,0,0|0,0,1]=2 23 B10R1.13 C=C(C)[C@H]1CC=C(CC1)C MCULE-7380592285 [1,0,0,0,0,0|0,0,1]=2 24 B10R1.13 C=C1C=CC(CC1)C(C)C MCULE-3969034493 [1,0,0,0,0,0|0,0,3]=4 25 B10R1.13 C=C1CCC(CC1)C(=O)O MCULE-9520777832 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.13 C=C1CCN(CC1)C(=O)C MCULE-2270885590 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.13 CC(=C1CC=C(CC1)Br)C MCULE-8162525678 [1,0,0,0,0,0|1,0,2]=4 28 B10R1.13 CC(=C1CCC(=O)CC1)C MCULE-1974192999 [1,0,0,0,0,0|0,0,3]=4 29 B10R1.13 CC(=O)C1CC=C(CC1)Br MCULE-8615852716 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.13 CC(=O)C1CC=C(CC1)C MCULE-3149377803 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.13 CC(=O)N1CCC(=O)CC1 MCULE-4679585330 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.13 CC(C)C1C=CC(=O)CC1 MCULE-4237895406 [1,0,0,0,0,0|0,0,3]=4 33 B10R1.13 CC(C)C1CCC(=O)CC1 MCULE-7925318933 [1,0,0,0,0,0|0,0,3]=4 34 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 MCULE-7627894901 [1,0,0,0,0,0|0,0,3]=4 35 B10R1.13 CC1=CCC(=C(C)C)CC1 MCULE-7193214900 [1,0,0,0,0,0|0,0,3]=4 36 B10R1.13 CC1=CCC(CC1)C(=O)O MCULE-8997751425 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.13 CC1=CC[C@@H](CC1)C(C)C MCULE-7463586312 [1,0,0,0,0,0|0,0,3]=4 38 B10R1.13 CC1=CC[C@@H](CC1)C(C)C MCULE-7712751868 [1,0,0,0,0,0|0,0,3]=4 39 B10R1.13 CN(C)C1CCC(=O)CC1 MCULE-1626492244 [1,0,0,0,0,0|1,0,2]=4 40 B10R1.13 CN(C)C1CCC(=O)CC1 MCULE-3483883668 [1,0,0,0,0,0|1,0,2]=4 41 B10R1.13 NC(=O)C1CCC(=O)CC1 MCULE-8335948190 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.13 O=C(O)C1CC=C(CC1)Br MCULE-3957085478 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.13 O=C(O)C1CC=C(CC1)F MCULE-5924974191 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.13 O=C1CCC(CC1)C(=O)Cl MCULE-9307268152 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.13 O=C1CCC(CC1)C(=O)O MCULE-3268045048 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.13 O=C1CCC(CN1)C(=O)O MCULE-9788917215 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-3191286949 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-9692186311 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.13 O=C1CC[C@H](CN1)C(=O)O MCULE-6590332785 [1,0,0,0,0,0|3,0,0]=4 50 B12R1.5 COC(=O)C1CCC(CC1)C=O MCULE-2634733639 [0,1,0,0,0,0|1,0,2]=4 51 B12R1.5 COC(=O)[C@H]1CC[C@@H](CC1)C=O MCULE-3847352060 [0,1,0,0,0,0|1,0,2]=4 52 B12R1.113 C=C(C)C1CC=C(CC1)/C=N/O MCULE-7020005137 [0,1,0,0,0,0|0,0,1]=2 53 B12R1.113 C=C(C)C1CC=C(CC1)C=NO MCULE-7545373619 [0,1,0,0,0,0|0,0,1]=2 54 B12R1.256 C=C(C)C1CC=C(CC1)C(=O)O MCULE-2236994087 [0,1,0,0,0,0|0,0,0]=1 55 B12R1.256 C=C(C)[C@@H]1CC=C(CC1)C(=O)O MCULE-5123086713 [0,1,0,0,0,0|0,0,0]=1 56 B12R1.256 C=C(C)[C@@H]1CC=C(CC1)C(=O)O MCULE-7930642870 [0,1,0,0,0,0|0,0,0]=1 57 B12R1.256 CC(=O)C1CCN(CC1)C(=O)C MCULE-9858862110 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.256 CC(C)C1CC=C(CC1)N(=O)=O MCULE-8769722951 [0,1,0,0,0,0|1,0,2]=4 59 B12R1.452 C=C(C)[C@@H]1CCC(=C[C@H]1O)C=O MCULE-4222256322 [0,1,0,0,0,0|0,0,0]=1 60 B12R1.452 CC(C)[C@H]1CCC(=C[C@@H]1O)C=O MCULE-1389332993 [0,1,0,0,0,0|0,0,2]=3 61 B12R1.452 CC(C)[C@H]1CCC(=C[C@@H]1O)C=O MCULE-3750924928 [0,1,0,0,0,0|0,0,2]=3 62 B10R0.82 C=CC(=C)CCC(=O)C(=C)C MCULE-3473379337 [0,0,1,0,0,0|2,0,1]=4 63 B12R2.1957 CC1(C2CC=C(C1C2)C=O)C MCULE-6569061785 [0,0,0,1,0,0|0,0,2]=3 64 B12R2.1957 CC1([C@H]2CC=C([C@@H]1C2)C=O)C MCULE-1506211730 [0,0,0,1,0,0|0,0,2]=3 65 B12R2.1957 CC1([C@H]2CC=C([C@@H]1C2)C=O)C MCULE-4612727757 [0,0,0,1,0,0|0,0,2]=3 66 B10R1.31 CC(=O)N1CCC(C1)C=O MCULE-9368938624 [0,0,0,0,1,0|2,0,1]=4 67 B9R0.1 C=C(C)CCCC(=O)OC MCULE-9632804158 [1,0,1,0,0,0|1,0,0]=3 68 B9R0.1 COC(=O)CCCC(=O)C MCULE-7598370905 [1,0,1,0,0,0|2,0,0]=4 69 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [1,0,1,0,0,0|2,0,0]=4 70 B9R0.7 CC(=O)C(C)CCC(=O)[O-] MCULE-8051941482 [1,0,1,0,0,0|2,0,0]=4 71 B9R1.1 CC1=CCC(CC1)C=O MCULE-5534930691 [2,0,0,0,0,0|1,0,1]=4 72 B9R1.1 CC1CCC(=CBr)CC1 MCULE-5410482282 [2,0,0,0,0,0|1,0,1]=4 73 B9R1.1 CC1CCC(CC1)C=O MCULE-9251304568 [2,0,0,0,0,0|0,0,2]=4 74 B9R1.1 CCC1CCC(=O)CC1 MCULE-4419010963 [2,0,0,0,0,0|0,0,2]=4 75 B9R1.1 CNC1CCC(=O)CC1 MCULE-1156128032 [2,0,0,0,0,0|1,0,1]=4 76 B9R1.1 CNC1CCC(=O)CC1 MCULE-3156763747 [2,0,0,0,0,0|1,0,1]=4 77 B9R1.1 COC1CCC(=O)CC1 MCULE-7787037916 [2,0,0,0,0,0|1,0,1]=4 78 B9R1.1 C[C@H]1CC[C@@H](CC1)C=O MCULE-9199101836 [2,0,0,0,0,0|0,0,2]=4 79 B9R1.1 O=CC1CCC(=O)CC1 MCULE-3607149578 [2,0,0,0,0,0|1,0,1]=4 80 B9R1.6 C1(CC=CCC1)C(=O)O MCULE-7139174666 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.6 N=C(N)C1CC=CCC1 MCULE-5710970221 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.6 N=C(N)C1CC=CCC1 MCULE-9208549422 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.6 NC(=O)C1CC=CCC1 MCULE-5613786218 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.6 O=C(Cl)C1CC=CCC1 MCULE-2173469232 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.6 O=C(O)C1CC=CCC1 MCULE-6262725586 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-1597942572 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-6215840629 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-5009469360 [2,0,0,0,0,0|2,0,0]=4 89 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-9797420475 [2,0,0,0,0,0|2,0,0]=4 90 B11R1.21 C=C(C)C1C=C(C(=O)CC1)C MCULE-2736117343 [1,1,0,0,0,0|0,0,1]=3 91 B11R1.21 C=C(C)C1CC=C(C(=O)C1)C MCULE-6744252540 [1,1,0,0,0,0|0,0,2]=4 92 B11R1.21 C=C(C)C1CC=C(C(C1)N)C MCULE-6251848535 [1,1,0,0,0,0|0,0,1]=3 93 B11R1.21 C=C(C)C1CC=C(C(C1)O)C MCULE-7410149055 [1,1,0,0,0,0|0,0,1]=3 94 B11R1.21 C=C(C)C1CC=C([C@H](C1)O)C MCULE-9515700529 [1,1,0,0,0,0|0,0,1]=3 95 B11R1.21 C=C(C)C1CCC(=C(C1)O)C MCULE-4208070162 [1,1,0,0,0,0|0,0,1]=3 96 B11R1.21 C=C(C)C1CCC(C(=O)C1)C MCULE-3190275628 [1,1,0,0,0,0|0,0,2]=4 97 B11R1.21 C=C(C)[C@@H]1CC=C(C(=O)C1)C MCULE-7452592467 [1,1,0,0,0,0|0,0,2]=4 98 B11R1.21 C=C(C)[C@@H]1CC=C(C(=O)C1)C MCULE-7861636306 [1,1,0,0,0,0|0,0,2]=4 99 B11R1.21 C=C(C)[C@@H]1CC[C@H](C(=O)C1)C MCULE-2452079982 [1,1,0,0,0,0|0,0,2]=4 100 B11R1.21 C=C(C)[C@@H]1CC[C@H](C(=O)C1)C MCULE-5495863541 [1,1,0,0,0,0|0,0,2]=4 101 B11R1.21 C=C(C)[C@H]1CC=C(C(=O)C1)C MCULE-1451736151 [1,1,0,0,0,0|0,0,2]=4 102 B11R1.21 C=C(C)[C@H]1CC=C(C(=O)C1)C MCULE-5023486160 [1,1,0,0,0,0|0,0,2]=4 103 B11R1.21 C=C(C)[C@H]1CC=C(C(C1)N)C MCULE-4358550857 [1,1,0,0,0,0|0,0,1]=3 104 B11R1.21 C=C(C)[C@H]1CC=C(C(C1)N)C MCULE-7149771249 [1,1,0,0,0,0|0,0,1]=3 105 B11R1.21 C=C(C)[C@H]1CC[C@@H](C(=O)C1)C MCULE-7342356938 [1,1,0,0,0,0|0,0,2]=4 106 B11R1.21 CC(=O)C1CCC(=C(C1)C)C MCULE-9948382916 [1,1,0,0,0,0|1,0,1]=4 107 B11R1.22 COC(=O)C1CC=C(CC1)Br MCULE-7489389627 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.22 COC(=O)C1CC=C(CC1)C MCULE-7832981899 [1,1,0,0,0,0|1,0,1]=4 109 B11R1.22 COC(=O)C1CCC(=O)CC1 MCULE-9783233720 [1,1,0,0,0,0|1,0,1]=4 110 B11R1.22 COC(=O)C1CCC(=O)NC1 MCULE-4891190480 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.22 COC(=O)[C@@H]1CCC(=O)NC1 MCULE-3019174474 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 MCULE-7846998050 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 MCULE-8720511544 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.220 CC(=O)C1(CC=C(CC1)C)C MCULE-2419027463 [1,1,0,0,0,0|1,0,1]=4 115 B11R1.44 COC(=O)C1CCC(C1)C=O MCULE-4933566077 [0,1,0,0,1,0|1,0,1]=4 116 B11R1.44 COC(=O)[C@H]1CC[C@H](C1)C=O MCULE-2955473183 [0,1,0,0,1,0|1,0,1]=4 117 B13R1.537 C=C(C)C1CC=C(CC1)C(=O)OC MCULE-5972648706 [0,2,0,0,0,0|0,0,0]=2 118 B13R1.338 CC(C)(C)C1CC=C(CC1)C(=O)O MCULE-9857200349 [0,2,0,0,0,0|0,0,2]=4 119 B13R1.338 CC(C)(O)[C@@H]1CC=C(CC1)C(=O)O MCULE-9742304708 [0,2,0,0,0,0|0,0,2]=4 120 B11R2.201 O=C1CC(=O)C2CCC1C2 MCULE-8824789240 [0,0,0,1,1,0|1,0,1]=4 121 B13R2.13764 C12CC=C(C(C1)C2(C)C)C(=O)O MCULE-8133651609 [0,1,0,1,0,0|0,0,2]=4 122 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [1,0,0,0,1,0|2,0,0]=4 123 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [1,0,0,0,1,0|2,0,0]=4 124 B9R1.35 CC(=O)C1CCC(=O)O1 MCULE-5049805875 [1,0,0,0,1,0|2,0,0]=4 125 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [1,0,0,0,1,0|2,0,0]=4 126 B9R1.35 CC(=O)N1CCC(=O)C1 MCULE-3924044267 [1,0,0,0,1,0|2,0,0]=4 127 B9R1.35 CC(C)C1CCC(=O)C1 MCULE-7380487072 [1,0,0,0,1,0|0,0,2]=4 128 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [1,0,0,0,1,0|2,0,0]=4 129 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [1,0,0,0,1,0|2,0,0]=4 130 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [1,0,0,0,1,0|2,0,0]=4 131 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [1,0,0,0,1,0|2,0,0]=4 132 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [1,0,0,0,1,0|2,0,0]=4 133 B11R1.20 CC(=O)NC1CCC(=O)CC1 MCULE-7983694594 [1,0,0,0,0,1|1,0,1]=4 134 B11R1.20 CC(=O)OC1CCC(=O)CC1 MCULE-8690712702 [1,0,0,0,0,1|1,0,1]=4 135 B11R1.20 CC(=O)SC1CCC(=O)CC1 MCULE-2776970558 [1,0,0,0,0,1|1,0,1]=4