0 B12R2.766 C12CC(C1(C)C)C(C=C2C)O MCULE-2216758301 [0,0,0,0,0,0|0,0,2]=2 1 B12R2.766 CC1=CC(=O)C2CC1C2(C)C MCULE-1142475318 [0,0,0,0,0,0|0,0,0]=0 2 B12R2.766 CC1=CC(=O)[C@@H]2C[C@H]1C2(C)C MCULE-1890961683 [0,0,0,0,0,0|0,0,0]=0 3 B12R2.766 CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C MCULE-4385964668 [0,0,0,0,0,0|0,0,0]=0 4 B12R2.766 CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C MCULE-8950557153 [0,0,0,0,0,0|0,0,0]=0 5 B12R2.766 CC1=C[C@@H](C2CC1C2(C)C)O MCULE-2432339510 [0,0,0,0,0,0|0,0,2]=2 6 B12R2.766 [C@@H]12C[C@@H](C1(C)C)C(=CC2=O)C MCULE-6931060573 [0,0,0,0,0,0|0,0,0]=0 7 B12R2.766 [C@@H]12C[C@@H](C1(C)C)[C@H](C=C2C)O MCULE-2551341762 [0,0,0,0,0,0|0,0,2]=2 8 B12R2.766 [C@@H]12C[C@@H](C1(C)C)[C@H](C=C2C)O MCULE-7918435177 [0,0,0,0,0,0|0,0,2]=2 9 B11R2.533 C12CCC(=O)C(C1)C2(C)C MCULE-9565487376 [1,0,0,0,0,0|0,0,2]=3 10 B11R2.533 C=C1CCC2CC1C2(C)C MCULE-7054075755 [1,0,0,0,0,0|0,0,3]=4 11 B11R2.533 C=C1CC[C@H]2C[C@@H]1C2(C)C MCULE-7035656699 [1,0,0,0,0,0|0,0,3]=4 12 B11R2.533 CC1([C@H]2CCC(=O)[C@@H]1C2)C MCULE-7120281983 [1,0,0,0,0,0|0,0,2]=3 13 B11R2.533 CC1=CCC2CC1C2(C)C MCULE-3589656574 [1,0,0,0,0,0|0,0,1]=2 14 B11R2.533 CC1=CC[C@@H]2C[C@H]1C2(C)C MCULE-9309364974 [1,0,0,0,0,0|0,0,1]=2 15 B11R2.533 CC1=CC[C@H]2C[C@@H]1C2(C)C MCULE-3867013572 [1,0,0,0,0,0|0,0,1]=2 16 B11R2.533 CC1=CC[C@H]2C[C@@H]1C2(C)C MCULE-4741815186 [1,0,0,0,0,0|0,0,1]=2 17 B11R2.533 CC1CCC2CC1C2(C)C MCULE-5302428878 [1,0,0,0,0,0|0,0,3]=4 18 B11R2.533 [C@@H]12CC(C1(C)C)CC=C2C MCULE-4656893243 [1,0,0,0,0,0|0,0,1]=2 19 B11R2.533 [C@@H]12CC=C([C@@H](C1)C2(C)C)C MCULE-6038724907 [1,0,0,0,0,0|0,0,1]=2 20 B11R2.533 [C@H]12CCC(=C)[C@H](C1)C2(C)C MCULE-1002296079 [1,0,0,0,0,0|0,0,3]=4 21 B11R2.533 [C@H]12CCC(=O)[C@H](C1)C2(C)C MCULE-5323274252 [1,0,0,0,0,0|0,0,2]=3 22 B11R2.533 [C@H]12CCC([C@H](C1)C2(C)C)C MCULE-8836227484 [1,0,0,0,0,0|0,0,3]=4 23 B11R1.166 CC(C)C1CCC(=O)CC1C MCULE-1915798198 [0,0,1,0,0,0|0,0,2]=3 24 B11R1.166 CC(C)N1CCC(=O)CC1=O MCULE-9214577546 [0,0,1,0,0,0|2,0,1]=4 25 B11R1.166 CC(C)N1CCC(=O)NC1=O MCULE-1590419185 [0,0,1,0,0,0|3,0,0]=4 26 B11R1.166 CC(C)[C@@H]1CC[C@H](CC1=O)C MCULE-2840661789 [0,0,1,0,0,0|0,0,2]=3 27 B11R1.166 CC(C)[C@@H]1CC[C@H](CC1=O)C MCULE-4105322469 [0,0,1,0,0,0|0,0,2]=3 28 B11R1.166 CC(C)[C@H]1CC[C@@H](CC1=O)C MCULE-1903479408 [0,0,1,0,0,0|0,0,2]=3 29 B11R1.166 CC(C)[C@H]1CC[C@@H](CC1=O)C MCULE-4949492676 [0,0,1,0,0,0|0,0,2]=3 30 B11R1.166 CC(C)[C@H]1CC[C@H](CC1=O)C MCULE-3408126032 [0,0,1,0,0,0|0,0,2]=3 31 B11R1.166 CC(C)[C@H]1CC[C@H](CC1=O)C MCULE-7136893978 [0,0,1,0,0,0|0,0,2]=3 32 B11R1.166 CC1=CC(=NCN1C(C)C)N MCULE-5469794465 [0,0,1,0,0,0|3,0,0]=4 33 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 MCULE-2108234131 [0,0,1,0,0,0|0,0,2]=3 34 B11R1.166 CC1=CC(=O)C(CC1)C(C)C MCULE-4165549141 [0,0,1,0,0,0|0,0,0]=1 35 B11R1.166 CC1=CC(=O)[C@@H](CC1)C(C)C MCULE-4320490300 [0,0,1,0,0,0|0,0,0]=1 36 B11R1.166 CC1=CC(=O)[C@@H](CC1)C(C)C MCULE-7213261889 [0,0,1,0,0,0|0,0,0]=1 37 B11R1.166 CC1=CC(=O)[C@H](CC1)C(C)C MCULE-1738202782 [0,0,1,0,0,0|0,0,0]=1 38 B11R1.166 CC1CCC(C(=O)C1)C(C)C MCULE-9183733882 [0,0,1,0,0,0|0,0,2]=3 39 B11R1.325 CC1=C(C(NC(=O)S1)(C)C)C MCULE-8493689479 [0,0,1,0,0,0|2,0,1]=4 40 B11R1.325 CC1=CC(=O)CC(C1=O)(C)C MCULE-5531656338 [0,0,1,0,0,0|1,0,1]=3 41 B11R1.325 CC1CC(=O)CC(C1O)(C)C MCULE-5516878609 [0,0,1,0,0,0|1,0,2]=4 42 B11R2.613 CC1(C2C1C(=O)NC2=O)C MCULE-6445206976 [0,0,0,0,1,0|2,0,0]=3 43 B11R2.613 CC1(C2C1C(=O)OC2=O)C MCULE-2808478978 [0,0,0,0,1,0|2,0,0]=3 44 B11R2.613 CC1([C@@H]2[C@H]1C(=O)OC2=O)C MCULE-4352861111 [0,0,0,0,1,0|2,0,0]=3 45 B10R1.13 C=C1C=CC(CC1)C(C)C MCULE-3969034493 [1,0,1,0,0,0|0,0,1]=3 46 B10R1.13 CC(C)C1C=CC(=O)CC1 MCULE-4237895406 [1,0,1,0,0,0|0,0,0]=2 47 B10R1.13 CC(C)C1CCC(=O)CC1 MCULE-7925318933 [1,0,1,0,0,0|0,0,2]=4 48 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 MCULE-7627894901 [1,0,1,0,0,0|0,0,0]=2 49 B10R1.13 CC1=CC=C(CC1)C(C)C MCULE-4783923707 [1,0,1,0,0,0|0,0,1]=3 50 B10R1.13 CC1=CCC(C=C1)C(C)C MCULE-8908736740 [1,0,1,0,0,0|0,0,1]=3 51 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C MCULE-4564392169 [1,0,1,0,0,0|0,0,1]=3 52 B10R1.13 CC1=CC[C@@H](CC1)C(C)C MCULE-7463586312 [1,0,1,0,0,0|0,0,1]=3 53 B10R1.13 CC1=CC[C@@H](CC1)C(C)C MCULE-7712751868 [1,0,1,0,0,0|0,0,1]=3 54 B10R1.25 CCC1CCC(CC1=O)C MCULE-6201444288 [1,0,1,0,0,0|0,0,2]=4 55 B10R1.61 CC(C)C1CCCCC1=O MCULE-1690446832 [1,0,1,0,0,0|0,0,2]=4 56 B10R1.83 CC1(C(CC1C(=O)O)N)C MCULE-1760692606 [1,0,1,0,0,0|2,0,0]=4 57 B10R1.83 CC1(C(CC1C(=O)O)N)C MCULE-6477382898 [1,0,1,0,0,0|2,0,0]=4 58 B10R1.83 CC1([C@H](C[C@@H]1C(=O)O)N)C MCULE-1367965106 [1,0,1,0,0,0|2,0,0]=4 59 B10R1.83 CC1([C@H](C[C@@H]1C(=O)O)N)C MCULE-5181157821 [1,0,1,0,0,0|2,0,0]=4 60 B10R1.83 CC1([C@H](C[C@@H]1C(=O)O)N)C MCULE-9629419450 [1,0,1,0,0,0|2,0,0]=4 61 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-1255189062 [1,0,1,0,0,0|2,0,0]=4 62 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-1573159970 [1,0,1,0,0,0|2,0,0]=4 63 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-3597897261 [1,0,1,0,0,0|2,0,0]=4 64 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-5950701932 [1,0,1,0,0,0|2,0,0]=4 65 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-6764578128 [1,0,1,0,0,0|2,0,0]=4 66 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-8635317976 [1,0,1,0,0,0|2,0,0]=4 67 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-2623468295 [1,0,1,0,0,0|2,0,0]=4 68 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-4157898594 [1,0,1,0,0,0|2,0,0]=4 69 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-8831652749 [1,0,1,0,0,0|2,0,0]=4 70 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-8994723547 [1,0,1,0,0,0|2,0,0]=4 71 B10R1.329 CC1(CC(=CC(=O)N1)N)C MCULE-5507056185 [1,0,1,0,0,0|2,0,0]=4 72 B10R1.329 CC1(CC(=CC(=O)N1)O)C MCULE-4857414161 [1,0,1,0,0,0|2,0,0]=4 73 B10R1.329 CC1(CC(=O)C=C(C1)Cl)C MCULE-3214614711 [1,0,1,0,0,0|1,0,0]=3 74 B10R1.329 CC1(CC(=O)C=C(C1)Cl)C MCULE-5004140628 [1,0,1,0,0,0|1,0,0]=3 75 B10R1.329 CC1(CC(=O)C=C(C1)N)C MCULE-4783504703 [1,0,1,0,0,0|1,0,0]=3 76 B10R1.329 CC1(CC(=O)CC(=O)C1)C MCULE-7089250511 [1,0,1,0,0,0|1,0,1]=4 77 B10R1.329 CC1(CC(=O)NC(=O)C1)C MCULE-3949417263 [1,0,1,0,0,0|2,0,0]=4 78 B10R1.329 CC1(CC(=O)OC(=O)C1)C MCULE-1747312582 [1,0,1,0,0,0|2,0,0]=4 79 B10R1.329 CC1=CC(=O)CC(C1)(C)C MCULE-5564101474 [1,0,1,0,0,0|0,0,0]=2 80 B10R1.329 CC1=CC(=O)OC(O1)(C)C MCULE-8323747910 [1,0,1,0,0,0|2,0,0]=4 81 B10R1.329 CC1=CC(=S)NC(C1)(C)C MCULE-9442010343 [1,0,1,0,0,0|1,1,0]=4 82 B10R1.329 CC1=CC(CC(=C1)C)(C)C MCULE-2964207491 [1,0,1,0,0,0|1,0,1]=4 83 B10R1.329 CC1=CC(CC(C1)(C)C)O MCULE-2334510737 [1,0,1,0,0,0|0,0,2]=4 84 B10R1.329 CC1CC(=O)CC(C1)(C)C MCULE-9871375617 [1,0,1,0,0,0|0,0,2]=4 85 B10R1.329 C[C@H]1CC(=O)CC(C1)(C)C MCULE-8164278833 [1,0,1,0,0,0|0,0,2]=4 86 B10R1.416 COC(=O)C1OCC1(C)C MCULE-7654678542 [1,0,1,0,0,0|2,0,0]=4 87 B12R1.126 CC(C)(C)C1CCC(=O)CC1=O MCULE-2181713751 [0,1,1,0,0,0|1,0,1]=4 88 B12R1.126 CC1CCC(C(=O)C1)C(C)(C)S MCULE-3249404551 [0,1,1,0,0,0|0,0,2]=4 89 B12R1.232 CC1=CC(C(CC1O)C(C)C)O MCULE-3726179107 [0,1,1,0,0,0|0,0,2]=4 90 B12R1.232 CC1=C[C@@H]([C@H](C[C@@H]1O)C(C)C)O MCULE-6022003482 [0,1,1,0,0,0|0,0,2]=4 91 B12R1.232 CC1=C[C@@H]([C@H](C[C@@H]1O)C(C)C)O MCULE-8793486504 [0,1,1,0,0,0|0,0,2]=4 92 B12R1.452 CC(C)[C@H]1CCC(=C[C@@H]1O)C=O MCULE-1389332993 [0,1,1,0,0,0|1,0,1]=4 93 B12R1.452 CC(C)[C@H]1CCC(=C[C@@H]1O)C=O MCULE-3750924928 [0,1,1,0,0,0|1,0,1]=4 94 B12R1.1703 COC(=O)C1CCC(=O)C=C1C MCULE-9361020402 [0,1,1,0,0,0|1,0,1]=4 95 B12R1.1337 CC(=O)C1CC(C1(C)C)C(=O)O MCULE-5183912424 [0,1,1,0,0,0|1,0,0]=3 96 B12R1.1337 CC(=O)[C@@H]1C[C@@H](C1(C)C)C(=O)O MCULE-6250560834 [0,1,1,0,0,0|1,0,0]=3 97 B12R1.1337 CC(=O)[C@H]1C[C@H](C1(C)C)C(=O)O MCULE-6126300846 [0,1,1,0,0,0|1,0,0]=3 98 B12R1.1337 [C@@H]1(C[C@H](C1(C)C)C(=O)C)C(=O)O MCULE-5661638563 [0,1,1,0,0,0|1,0,0]=3 99 B12R2.1957 CC1(C2CC=C(C1C2)C=O)C MCULE-6569061785 [1,1,0,0,0,0|0,0,1]=3 100 B12R2.1957 CC1(C2CC=C(C1C2)CO)C MCULE-3716105747 [1,1,0,0,0,0|0,0,1]=3 101 B12R2.1957 CC1([C@@H]2CC=C([C@H]1C2)CO)C MCULE-6814504957 [1,1,0,0,0,0|0,0,1]=3 102 B12R2.1957 CC1([C@H]2CC=C([C@@H]1C2)C=O)C MCULE-1506211730 [1,1,0,0,0,0|0,0,1]=3 103 B12R2.1957 CC1([C@H]2CC=C([C@@H]1C2)C=O)C MCULE-4612727757 [1,1,0,0,0,0|0,0,1]=3 104 B12R2.1957 [C@H]12CC=C([C@H](C1)C2(C)C)CO MCULE-3081416442 [1,1,0,0,0,0|0,0,1]=3 105 B12R2.1957 [C@H]12CC=C([C@H](C1)C2(C)C)CO MCULE-6050955307 [1,1,0,0,0,0|0,0,1]=3 106 B12R2.2863 [C@@H]12CC(=O)[C@@H]([C@@H](C1)C2(C)C)C MCULE-2769684751 [1,1,0,0,0,0|0,0,2]=4 107 B14R2.27718 CC12CCC(C1(C)C)C(=O)NC2=O MCULE-4083954877 [0,1,0,0,0,1|2,0,0]=4 108 B14R2.27718 CC12CCC(C1(C)C)C(=O)OC2=O MCULE-1492270496 [0,1,0,0,0,1|2,0,0]=4 109 B14R2.17383 C#CC1(C=C(C2CC1C2(C)C)C)O MCULE-3944846652 [0,2,0,0,0,0|0,0,2]=4 110 B10R0.3 C/C(=C\CO)/CCCC(C)C MCULE-2452185402 [0,0,2,0,0,0|0,0,2]=4 111 B10R0.3 C=C(C)CCCC(=CC=O)C MCULE-3325268372 [0,0,2,0,0,0|0,0,2]=4 112 B10R0.3 CC(=CCC/C(=C/C=O)/C)C MCULE-9879493059 [0,0,2,0,0,0|0,0,2]=4 113 B10R0.3 CC(=CCCC(=CC=O)C)C MCULE-3630781826 [0,0,2,0,0,0|0,0,2]=4 114 B10R0.3 CC(=CCO)CCCC(C)C MCULE-2627205641 [0,0,2,0,0,0|0,0,2]=4 115 B10R0.3 CC(C)CCCC(C)CC=O MCULE-2720089798 [0,0,2,0,0,0|0,0,2]=4 116 B10R0.3 CCOC(=O)CCCC(C)C MCULE-5911402423 [0,0,2,0,0,0|1,0,1]=4 117 B10R0.17 CCCCC(C(=O)O)C(C)C MCULE-9724362832 [0,0,2,0,0,0|1,0,1]=4 118 B10R0.44 CCC(=CC(C)CC(C)C)C MCULE-4117888672 [0,0,2,0,0,0|1,0,1]=4 119 B10R0.44 CCC(C)SC(=O)CC(C)C MCULE-2622973761 [0,0,2,0,0,0|1,0,1]=4 120 B12R2.774 CC1=CC(=O)[C@@]2([C@H]1C2)C(C)C MCULE-4294960505 [0,0,1,1,0,0|0,0,0]=2 121 B12R2.774 CC1=CC(=O)[C@@]2([C@H]1C2)C(C)C MCULE-9308346170 [0,0,1,1,0,0|0,0,0]=2 122 B12R2.2825 CC12CCC(C1(C)C)C(=O)C2 MCULE-4291131360 [0,0,1,1,0,0|0,0,2]=4 123 B12R2.3092 CC1(C2CCC1(C2)C(=O)O)C MCULE-2184723738 [0,0,1,1,0,0|1,0,1]=4 124 B10R1.194 CC(C)N1CCC(=O)C1=O MCULE-9645224779 [0,0,1,0,1,0|2,0,0]=4 125 B10R1.42 COC1C(C1(C)C)C(=O)O MCULE-4079852033 [0,0,1,0,1,0|2,0,0]=4 126 B10R1.339 CC1C(=O)NC(=O)C1(C)C MCULE-3607989218 [0,0,1,0,1,0|2,0,0]=4 127 B10R1.400 CCCC(=O)C1CC1(C)C MCULE-2712823382 [0,0,1,0,1,0|0,0,2]=4 128 B10R1.400 CCOC(=O)C1CC1(C)C MCULE-3211985193 [0,0,1,0,1,0|1,0,1]=4 129 B12R1.233 CC(C)CC1CCC(=O)NC1=O MCULE-5345680804 [0,0,1,0,0,1|2,0,0]=4 130 B12R1.317 CCOC(=O)C1CNCC1(C)C MCULE-2252150581 [0,0,1,0,0,1|1,0,1]=4