0 B14R1.15069 CCOC1=C(C=C(C(=C1)C#N)Br)OC MCULE-6832865085 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.15069 CCOC1=C(C=C(C(=C1)CN)Br)OC MCULE-5505762096 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.15069 CCOC1=C(C=C(C(=C1)CN)Br)OC MCULE-7472561081 [0,0,0,0,0,0|4,0,0]=4 3 B14R1.15069 CCOC1=C(C=C(C(=C1)CO)Br)OC MCULE-6100750312 [0,0,0,0,0,0|4,0,0]=4 4 B14R1.15069 CCOC1=CC(=C(C=C1OC)Br)C=O MCULE-5603648857 [0,0,0,0,0,0|4,0,0]=4 5 B14R1.15069 COC1=CC(=C(C=C1CCN)OC)Br MCULE-2564990067 [0,0,0,0,0,0|0,0,0]=0 6 B14R1.15069 COC1=CC(=C(C=C1CCN)OC)Br MCULE-5143145588 [0,0,0,0,0,0|0,0,0]=0 7 B14R1.15069 COC1=CC(=C(C=C1CCN)OC)C MCULE-3746585615 [0,0,0,0,0,0|1,0,0]=1 8 B14R1.15069 COC1=CC(=C(C=C1CCN)OC)C MCULE-8385637743 [0,0,0,0,0,0|1,0,0]=1 9 B14R1.15069 COC1=CC(=C(C=C1CCN)OC)Cl MCULE-4776581009 [0,0,0,0,0,0|0,1,0]=1 10 B14R1.15069 COC1=CC(=C(C=C1CCN)OC)I MCULE-3264960845 [0,0,0,0,0,0|0,1,0]=1 11 B14R1.15069 COC1=CC(=C(C=C1CCN)OC)I MCULE-9190910638 [0,0,0,0,0,0|0,1,0]=1 12 B14R1.15069 COC1=CC(=C(C=C1Cl)OC)CCN MCULE-6470132248 [0,0,0,0,0,0|0,1,0]=1 13 B14R1.15069 COC1=CC(=C(C=C1Cl)OC)N=C=S MCULE-5563560461 [0,0,0,0,0,0|2,1,1]=4 14 B14R1.15069 COCC1=C(C=C(C(=C1)OC)Br)OC MCULE-6111099711 [0,0,0,0,0,0|2,0,0]=2 15 B13R1.355 C=CCC1=C(C=CC(=C1)OC)OC MCULE-8703765775 [1,0,0,0,0,0|1,0,1]=3 16 B13R1.355 CCC1=CC=C(C(=C1)CC#N)OC MCULE-2014147037 [1,0,0,0,0,0|1,0,2]=4 17 B13R1.355 CCCC1=C(C=CC(=C1)C=O)OC MCULE-6174001107 [1,0,0,0,0,0|3,0,0]=4 18 B13R1.355 CCCC1=C(C=CC(=C1)OC)OC MCULE-7206582937 [1,0,0,0,0,0|1,0,0]=2 19 B13R1.355 CCNC1=CC(=CC=C1OC)OC MCULE-1720100040 [1,0,0,0,0,0|2,0,0]=3 20 B13R1.355 CCOC1=C(C=CC(=C1)SC)OC MCULE-7304242800 [1,0,0,0,0,0|2,1,0]=4 21 B13R1.355 CCSC1=C(C=CC(=C1)OC)OC MCULE-3388960638 [1,0,0,0,0,0|2,0,0]=3 22 B13R1.355 CNCC1=C(C=CC(=C1)OC)OC MCULE-1234805586 [1,0,0,0,0,0|2,0,0]=3 23 B13R1.355 CNCC1=C(C=CC(=C1)OC)OC MCULE-8655506677 [1,0,0,0,0,0|2,0,0]=3 24 B13R1.355 COC1=CC(=C(C=C1)OC)CC#N MCULE-9308518547 [1,0,0,0,0,0|0,0,2]=3 25 B13R1.355 COC1=CC(=C(C=C1)OC)CCN MCULE-2490474992 [1,0,0,0,0,0|0,0,0]=1 26 B13R1.355 COC1=CC(=C(C=C1)OC)CCN MCULE-3905051761 [1,0,0,0,0,0|0,0,0]=1 27 B13R1.355 COC1=CC(=C(C=C1)OC)CCO MCULE-4156126411 [1,0,0,0,0,0|1,0,0]=2 28 B13R1.355 COC1=CC(=C(C=C1)OC)CCS MCULE-8628711744 [1,0,0,0,0,0|1,0,0]=2 29 B13R1.355 COC1=CC(=C(C=C1)OC)CON MCULE-9465073647 [1,0,0,0,0,0|1,0,0]=2 30 B13R1.355 COC1=CC=C(C(=C1)C=NO)OC MCULE-9615919401 [1,0,0,0,0,0|2,0,1]=4 31 B13R1.355 COC1=CC=C(C(=C1)CC=O)OC MCULE-5388586394 [1,0,0,0,0,0|1,0,1]=3 32 B13R1.355 COC1=CC=C(C(=C1)CNN)OC MCULE-3780793000 [1,0,0,0,0,0|1,0,0]=2 33 B13R1.355 COC1=CC=C(C(=C1)CNN)OC MCULE-7219918891 [1,0,0,0,0,0|1,0,0]=2 34 B13R1.355 COC1=CC=C(C(=C1)CON)OC MCULE-1417795567 [1,0,0,0,0,0|1,0,0]=2 35 B13R1.355 COC1=CC=C(C(=C1)N=C=O)OC MCULE-3891440031 [1,0,0,0,0,0|2,0,1]=4 36 B13R1.355 COC1=CC=C(C(=C1)N=C=S)OC MCULE-1425014408 [1,0,0,0,0,0|2,0,1]=4 37 B13R1.2200 C#CC1=C(C=C(C(=C1)OC)Br)OC MCULE-7185033424 [1,0,0,0,0,0|0,0,2]=3 38 B13R1.2200 C=CC1=C(C=C(C(=C1)OC)Br)OC MCULE-2640611583 [1,0,0,0,0,0|0,0,2]=3 39 B13R1.2200 COC1=C(C=C(C(=C1)Br)C#N)OC MCULE-2917695923 [1,0,0,0,0,0|3,0,0]=4 40 B13R1.2200 COC1=C(C=C(C(=C1)Br)CBr)OC MCULE-5310065711 [1,0,0,0,0,0|3,0,0]=4 41 B13R1.2200 COC1=C(C=C(C(=C1)Br)CCl)OC MCULE-2054723236 [1,0,0,0,0,0|3,0,0]=4 42 B13R1.2200 COC1=C(C=C(C(=C1)Br)CN)OC MCULE-5490366896 [1,0,0,0,0,0|3,0,0]=4 43 B13R1.2200 COC1=C(C=C(C(=C1)Br)CN)OC MCULE-6368472122 [1,0,0,0,0,0|3,0,0]=4 44 B13R1.2200 COC1=CC(=C(C=C1Br)C=O)OC MCULE-4115686767 [1,0,0,0,0,0|3,0,0]=4 45 B13R1.2200 COC1=CC(=C(C=C1Br)CBr)OC MCULE-2427041173 [1,0,0,0,0,0|3,0,0]=4 46 B13R1.2200 COC1=CC(=C(C=C1Br)CCl)OC MCULE-7425626054 [1,0,0,0,0,0|3,0,0]=4 47 B13R1.2200 COC1=CC(=C(C=C1Br)OC)CN MCULE-7899113707 [1,0,0,0,0,0|0,0,0]=1 48 B13R1.2200 COC1=CC(=C(C=C1Br)OC)OC MCULE-9458677934 [1,0,0,0,0,0|1,0,0]=2 49 B13R1.2200 COC1=CC(=C(C=C1C#N)Br)OC MCULE-6007947750 [1,0,0,0,0,0|3,0,0]=4 50 B13R1.2200 COC1=CC(=C(C=C1C)OC)CO MCULE-1335230229 [1,0,0,0,0,0|2,0,0]=3 51 B13R1.2200 COC1=CC(=C(C=C1C)OC)SC MCULE-3601456664 [1,0,0,0,0,0|2,0,0]=3 52 B13R1.2200 COC1=CC(=C(C=C1C=O)OC)Br MCULE-5373508134 [1,0,0,0,0,0|1,0,1]=3 53 B13R1.2200 COC1=CC(=C(C=C1C=O)OC)C MCULE-2800114515 [1,0,0,0,0,0|2,0,1]=4 54 B13R1.2200 COC1=CC(=C(C=C1C=O)OC)F MCULE-7738099503 [1,0,0,0,0,0|1,1,1]=4 55 B13R1.2200 COC1=CC(=C(C=C1C=O)OC)I MCULE-2784730703 [1,0,0,0,0,0|1,1,1]=4 56 B13R1.2200 COC1=CC(=C(C=C1CCl)OC)Br MCULE-8584195968 [1,0,0,0,0,0|1,0,0]=2 57 B13R1.2200 COC1=CC(=C(C=C1CN)Br)OC MCULE-2605116788 [1,0,0,0,0,0|3,0,0]=4 58 B13R1.2200 COC1=CC(=C(C=C1CN)Br)OC MCULE-6047477212 [1,0,0,0,0,0|3,0,0]=4 59 B13R1.2200 COC1=CC(=C(C=C1CN)OC)Br MCULE-5611358548 [1,0,0,0,0,0|0,0,0]=1 60 B13R1.2200 COC1=CC(=C(C=C1CO)Br)OC MCULE-7699807203 [1,0,0,0,0,0|3,0,0]=4 61 B13R1.2200 COC1=CC(=C(C=C1CO)OC)Br MCULE-8448430798 [1,0,0,0,0,0|1,0,0]=2 62 B13R1.2200 COC1=CC(=C(C=C1Cl)OC)C#N MCULE-1327837798 [1,0,0,0,0,0|0,1,2]=4 63 B13R1.2200 COC1=CC(=C(C=C1Cl)OC)C=O MCULE-2693680435 [1,0,0,0,0,0|1,1,1]=4 64 B13R1.2200 COC1=CC(=C(C=C1Cl)OC)CCl MCULE-5194476339 [1,0,0,0,0,0|1,1,0]=3 65 B13R1.2200 COC1=CC(=C(C=C1NN)OC)Cl MCULE-3723808126 [1,0,0,0,0,0|1,1,0]=3 66 B13R1.2200 COC1=CC(=C(C=C1NN)OC)Cl MCULE-6176194377 [1,0,0,0,0,0|1,1,0]=3 67 B13R1.2200 COC1=CC(=C(C=C1O)OC)OC MCULE-6263442233 [1,0,0,0,0,0|2,0,0]=3 68 B13R1.2200 COC1=CC(=C(C=C1OC)C=O)Br MCULE-4300247319 [1,0,0,0,0,0|3,0,0]=4 69 B13R1.2200 COC1=CC(=C(C=C1OC)CO)Br MCULE-6088825423 [1,0,0,0,0,0|3,0,0]=4 70 B13R1.2200 COC1=CC(=C(C=C1OC)OC)N MCULE-9118703617 [1,0,0,0,0,0|2,0,0]=3 71 B13R1.2200 COC1=CC(=C(C=C1OC)SC)F MCULE-6859358479 [1,0,0,0,0,0|1,2,0]=4 72 B13R1.2200 COC1=CC(=C(C=C1SC)Cl)OC MCULE-1512401785 [1,0,0,0,0,0|1,2,0]=4 73 B13R1.2200 COC1=NC(=C(C=C1Br)OC)OC MCULE-8792405684 [1,0,0,0,0,0|2,0,0]=3 74 B13R1.2200 COC1=NC(=C(C=C1I)OC)OC MCULE-9076191254 [1,0,0,0,0,0|2,1,0]=4 75 B13R1.2200 COC1=NC(=C(C=C1O)OC)OC MCULE-3087394795 [1,0,0,0,0,0|3,0,0]=4 76 B13R1.2200 COC1=NC(=C(C=C1SC)Br)OC MCULE-7363825034 [1,0,0,0,0,0|2,1,0]=4 77 B13R1.2899 CCOC1=CC(=C(C=C1OC)Br)Cl MCULE-6791696205 [1,0,0,0,0,0|3,0,0]=4 78 B13R1.2899 CCOC1=CC(=C(C=C1OC)Br)F MCULE-3351373030 [1,0,0,0,0,0|3,0,0]=4 79 B13R1.2900 CCOC1=CC(=C(C=C1F)Br)OC MCULE-6592834289 [1,0,0,0,0,0|3,0,0]=4 80 B13R1.2900 CNCC1=CC(=C(C=C1F)Br)OC MCULE-3412826338 [1,0,0,0,0,0|3,0,0]=4 81 B15R1.1788 COC1=CC(=C(C=C1Br)OC)CC(=O)O MCULE-3402208621 [0,1,0,0,0,0|1,0,1]=3 82 B15R1.1788 COC1=CC(=C(C=C1Br)OC)CC(C)N MCULE-8949874251 [0,1,0,0,0,0|0,0,0]=1 83 B15R1.1788 COC1=CC(=C(C=C1Br)OC)C[C@H](C)N MCULE-2061862817 [0,1,0,0,0,0|0,0,0]=1 84 B15R1.1788 COC1=CC(=C(C=C1Br)OC)C[C@H](C)N MCULE-7618746407 [0,1,0,0,0,0|0,0,0]=1 85 B15R1.1788 COC1=CC(=C(C=C1C)OC)CC(C)N MCULE-7368986212 [0,1,0,0,0,0|1,0,0]=2 86 B15R1.1788 COC1=CC(=C(C=C1CC(C)N)OC)Br MCULE-4524297690 [0,1,0,0,0,0|0,0,0]=1 87 B15R1.1788 COC1=CC(=C(C=C1CC(C)N)OC)C MCULE-9310533628 [0,1,0,0,0,0|1,0,0]=2 88 B15R1.1788 COC1=CC(=C(C=C1CC(C)N)OC)Cl MCULE-4172194754 [0,1,0,0,0,0|0,1,0]=2 89 B15R1.1788 COC1=CC(=C(C=C1CC(C)N)OC)Cl MCULE-5043155137 [0,1,0,0,0,0|0,1,0]=2 90 B15R1.1788 COC1=CC(=C(C=C1CC(C)N)OC)I MCULE-4610591643 [0,1,0,0,0,0|0,1,0]=2 91 B15R1.1788 COC1=CC(=C(C=C1CN(C)C)OC)Br MCULE-2637006198 [0,1,0,0,0,0|2,0,0]=3 92 B15R1.1788 COC1=CC(=C(C=C1C[C@@H](C)N)OC)I MCULE-2324163847 [0,1,0,0,0,0|0,1,0]=2 93 B15R1.1788 COC1=CC(=C(C=C1C[C@@H](C)N)OC)I MCULE-9040804835 [0,1,0,0,0,0|0,1,0]=2 94 B15R1.1788 COC1=CC(=C(C=C1Cl)OC)NC(=S)N MCULE-4619324183 [0,1,0,0,0,0|1,1,1]=4 95 B15R1.1788 COC1=CC(=C(C=C1I)OC)CC(C)N MCULE-2915700352 [0,1,0,0,0,0|0,1,0]=2 96 B15R1.1788 COC1=CC(=C(C=C1I)OC)C[C@H](C)N MCULE-8571638302 [0,1,0,0,0,0|0,1,0]=2 97 B15R1.1788 COC1=CC(=C(C=C1I)OC)C[C@H](C)N MCULE-9127170836 [0,1,0,0,0,0|0,1,0]=2 98 B15R1.1788 COC1=CC(=C(C=C1NC(=O)C)OC)Br MCULE-7601948615 [0,1,0,0,0,0|2,0,1]=4 99 B15R1.1791 C=C[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-7349640911 [0,1,0,0,0,0|1,0,1]=3 100 B15R1.1791 C=C[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-7624368047 [0,1,0,0,0,0|1,0,1]=3 101 B15R1.1791 C=C[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-6436450915 [0,1,0,0,0,0|1,0,1]=3 102 B15R1.1791 C=C[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-6723134688 [0,1,0,0,0,0|1,0,1]=3 103 B15R1.1791 CC[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-5416054390 [0,1,0,0,0,0|1,0,0]=2 104 B15R1.1791 CC[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-5909603367 [0,1,0,0,0,0|1,0,0]=2 105 B15R1.1791 CC[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-1899945888 [0,1,0,0,0,0|1,0,0]=2 106 B15R1.1791 CC[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-5742498494 [0,1,0,0,0,0|1,0,0]=2 107 B15R1.1791 COC(=O)C1=CC(=C(C=C1OC)Br)OC MCULE-7592372580 [0,1,0,0,0,0|2,0,1]=4 108 B15R1.1791 COC1=CC(=C(C=C1Br)OC)C(=O)CN MCULE-1007715529 [0,1,0,0,0,0|0,0,1]=2 109 B15R1.1791 COC1=CC(=C(C=C1Br)OC)C(=O)CN MCULE-5256816630 [0,1,0,0,0,0|0,0,1]=2 110 B15R1.1791 COC1=CC(=C(C=C1C(O)CN)OC)Br MCULE-6179584394 [0,1,0,0,0,0|0,0,0]=1 111 B15R1.1791 COC1=CC(=C(C=C1C(O)CN)OC)Br MCULE-9649748205 [0,1,0,0,0,0|0,0,0]=1 112 B15R1.1791 COC1=CC(=C(C=C1[C@@H](N)CF)OC)Br MCULE-1903414712 [0,1,0,0,0,0|1,0,0]=2 113 B15R1.1791 COC1=CC(=C(C=C1[C@@H](N)CF)OC)Br MCULE-2640773525 [0,1,0,0,0,0|1,0,0]=2 114 B15R1.1791 COC1=CC(=C(C=C1[C@@H](N)CN)OC)Br MCULE-1360917580 [0,1,0,0,0,0|0,0,0]=1 115 B15R1.1791 COC1=CC(=C(C=C1[C@@H](N)CN)OC)Br MCULE-1581256966 [0,1,0,0,0,0|0,0,0]=1 116 B15R1.1791 COC1=CC(=C(C=C1[C@@H](N)CO)OC)Br MCULE-1288459691 [0,1,0,0,0,0|1,0,0]=2 117 B15R1.1791 COC1=CC(=C(C=C1[C@@H](N)CO)OC)Br MCULE-4592336751 [0,1,0,0,0,0|1,0,0]=2 118 B15R1.1791 COC1=CC(=C(C=C1[C@H](N)CF)OC)Br MCULE-2802225833 [0,1,0,0,0,0|1,0,0]=2 119 B15R1.1791 COC1=CC(=C(C=C1[C@H](N)CF)OC)Br MCULE-7569436955 [0,1,0,0,0,0|1,0,0]=2 120 B15R1.1791 COC1=CC(=C(C=C1[C@H](N)CN)OC)Br MCULE-1396275218 [0,1,0,0,0,0|0,0,0]=1 121 B15R1.1791 COC1=CC(=C(C=C1[C@H](N)CN)OC)Br MCULE-9395828789 [0,1,0,0,0,0|0,0,0]=1 122 B15R1.1791 COC1=CC(=C(C=C1[C@H](N)CO)OC)Br MCULE-1785981088 [0,1,0,0,0,0|1,0,0]=2 123 B15R1.1791 COC1=CC(=C(C=C1[C@H](N)CO)OC)Br MCULE-3000986746 [0,1,0,0,0,0|1,0,0]=2 124 B15R1.27356 C=CCC1=C(C=C(C(=C1)OC)OC)OC MCULE-6463686902 [0,1,0,0,0,0|2,0,1]=4 125 B15R1.27356 CCC1=C(C=C(C(=C1)OC)CCN)OC MCULE-8397636477 [0,1,0,0,0,0|1,0,0]=2 126 B15R1.27356 CCC1=C(C=C(C(=C1)OC)CCN)OC MCULE-9333092304 [0,1,0,0,0,0|1,0,0]=2 127 B15R1.27356 CCCC1=C(C=C(C(=C1)OC)C=O)OC MCULE-3456356235 [0,1,0,0,0,0|2,0,0]=3 128 B15R1.27356 CCOC1=C(C=C(C(=C1)OC)C=O)OC MCULE-6978308055 [0,1,0,0,0,0|3,0,0]=4 129 B15R1.27356 CNCC1=CC(=C(C=C1OC)OC)OC MCULE-4965934677 [0,1,0,0,0,0|3,0,0]=4 130 B15R1.27356 COC1=CC(=C(C=C1CCN)OC)OC MCULE-8545025009 [0,1,0,0,0,0|1,0,0]=2 131 B15R1.27356 COC1=CC(=C(C=C1CCN)OC)SC MCULE-4323505130 [0,1,0,0,0,0|1,0,0]=2 132 B15R1.27356 COC1=CC(=C(C=C1OC)OC)CC#N MCULE-2083341762 [0,1,0,0,0,0|1,0,2]=4 133 B15R1.27356 COC1=CC(=C(C=C1OC)OC)CCN MCULE-8546824500 [0,1,0,0,0,0|1,0,0]=2 134 B15R1.27356 COC1=CC(=C(C=C1SC)OC)CCN MCULE-4132235197 [0,1,0,0,0,0|1,0,0]=2 135 B15R1.27356 COCC1=C(C=C(C(=C1)OC)CO)OC MCULE-7737666937 [0,1,0,0,0,0|3,0,0]=4 136 B15R1.27356 N(C)CC1=CC(=C(C=C1OC)OC)OC MCULE-3087017772 [0,1,0,0,0,0|3,0,0]=4 137 B15R2.1824 COC1=CC2=C(C=C1Br)CCN(C2)C MCULE-3105840027 [0,0,0,1,0,0|3,0,0]=4 138 B15R2.2039 COC1=CC2=C(C=C1Br)C(=O)CCC2 MCULE-3444070711 [0,0,0,1,0,0|3,0,0]=4 139 B15R2.2039 COC1=CC2=C(C=C1Br)C(CCC2)N MCULE-6037888094 [0,0,0,1,0,0|3,0,0]=4 140 B15R2.2039 COC1=CC2=C(C=C1Br)[C@@H](CCC2)N MCULE-7675239569 [0,0,0,1,0,0|3,0,0]=4 141 B15R2.2215 C=CCC1=C(C=C2OCOC2=C1)OC MCULE-3712788872 [0,0,0,1,0,0|2,0,1]=4 142 B15R2.2215 COC1=CC2=C(C=C1CCN)CCC2 MCULE-8133742863 [0,0,0,1,0,0|2,0,0]=3 143 B15R2.21209 COC1=CC(=C(C2=C1OCO2)OC)O MCULE-3146293271 [0,0,0,1,0,0|3,0,0]=4 144 B12R1.78 C#CC1=CC=C(C=C1CC)OC MCULE-7655651465 [2,0,0,0,0,0|1,0,1]=4 145 B12R1.78 C=CC1=CC(=CC=C1OC)OC MCULE-6035281796 [2,0,0,0,0,0|0,0,2]=4 146 B12R1.78 CCC1=C(C=CC(=C1)OC)C=O MCULE-2748229370 [2,0,0,0,0,0|2,0,0]=4 147 B12R1.78 CCC1=C(C=CC(=C1)OC)C=S MCULE-7020106067 [2,0,0,0,0,0|2,0,0]=4 148 B12R1.78 CCC1=C(C=CC(=C1)OC)OC MCULE-1039376862 [2,0,0,0,0,0|0,0,0]=2 149 B12R1.78 CCC1=C(C=CC(=C1)OC)SC MCULE-7478988132 [2,0,0,0,0,0|0,1,0]=3 150 B12R1.78 CCC1=CC(=C(C=C1)OC)CCl MCULE-8272780338 [2,0,0,0,0,0|2,0,0]=4 151 B12R1.78 CCC1=CC(=C(C=C1)OC)CO MCULE-4135768101 [2,0,0,0,0,0|2,0,0]=4 152 B12R1.78 CCC1=CC(=CC=C1OC)C=O MCULE-7150052467 [2,0,0,0,0,0|2,0,0]=4 153 B12R1.78 CCC1=CC=C(C(=C1)OC)OC MCULE-7998710075 [2,0,0,0,0,0|2,0,0]=4 154 B12R1.78 CCC1=CC=C(C(=N1)CN)OC MCULE-1155368980 [2,0,0,0,0,0|2,0,0]=4 155 B12R1.78 CCC1=CC=C(C(=N1)CN)OC MCULE-8528189755 [2,0,0,0,0,0|2,0,0]=4 156 B12R1.78 CCC1=CC=C(C=C1OC)OC MCULE-7322604554 [2,0,0,0,0,0|2,0,0]=4 157 B12R1.78 CNC1=C(C=C(C=C1)OC)OC MCULE-4998719489 [2,0,0,0,0,0|2,0,0]=4 158 B12R1.78 CNC1=C(C=CC(=C1)OC)OC MCULE-7650515197 [2,0,0,0,0,0|1,0,0]=3 159 B12R1.78 CNC1=CC(=C(C=C1)OC)OC MCULE-2102236226 [2,0,0,0,0,0|2,0,0]=4 160 B12R1.78 COC1=C(C=C(C=C1)C=O)CN MCULE-1028343065 [2,0,0,0,0,0|2,0,0]=4 161 B12R1.78 COC1=C(C=C(C=C1)C=O)CN MCULE-1834732077 [2,0,0,0,0,0|2,0,0]=4 162 B12R1.78 COC1=C(C=C(C=C1)SC)OC MCULE-6246833665 [2,0,0,0,0,0|1,1,0]=4 163 B12R1.78 COC1=C(C=C(C=C1)SC)SC MCULE-1414683156 [2,0,0,0,0,0|1,1,0]=4 164 B12R1.78 COC1=CC(=C(C=C1)OC)C#N MCULE-1383333190 [2,0,0,0,0,0|0,0,2]=4 165 B12R1.78 COC1=CC(=C(C=C1)OC)CBr MCULE-9368591596 [2,0,0,0,0,0|1,0,0]=3 166 B12R1.78 COC1=CC(=C(C=C1)OC)OC MCULE-3032175153 [2,0,0,0,0,0|1,0,0]=3 167 B12R1.78 COC1=CC(=C(C=C1)OC)SC MCULE-4172303432 [2,0,0,0,0,0|1,0,0]=3 168 B12R1.78 COC1=CC=C(C(=C1)C=O)OC MCULE-4849352785 [2,0,0,0,0,0|1,0,1]=4 169 B12R1.78 COC1=CC=C(C(=C1)CCl)OC MCULE-5811922188 [2,0,0,0,0,0|1,0,0]=3 170 B12R1.78 COC1=CC=C(C(=C1)CN)OC MCULE-5735184270 [2,0,0,0,0,0|0,0,0]=2 171 B12R1.78 COC1=CC=C(C(=C1)CN)OC MCULE-9956829610 [2,0,0,0,0,0|0,0,0]=2 172 B12R1.78 COC1=CC=C(C(=C1)CO)OC MCULE-2608244025 [2,0,0,0,0,0|1,0,0]=3 173 B12R1.78 COC1=CC=C(C(=C1)OC)ON MCULE-1028757258 [2,0,0,0,0,0|2,0,0]=4 174 B12R1.78 COC1=CC=C(C(=C1)OC)ON MCULE-8283398979 [2,0,0,0,0,0|2,0,0]=4 175 B12R1.78 COC1=CC=C(C(=C1)OC)SC MCULE-9816399814 [2,0,0,0,0,0|1,1,0]=4 176 B12R1.78 COC1=CC=C(C(=C1)ON)OC MCULE-8928418666 [2,0,0,0,0,0|1,0,0]=3 177 B12R1.78 COC1=CC=C(C(=C1)ON)OC MCULE-9054972721 [2,0,0,0,0,0|1,0,0]=3 178 B12R1.78 COC1=CC=C(C(=N1)OC)OC MCULE-8670239190 [2,0,0,0,0,0|2,0,0]=4 179 B12R1.78 COC1=CC=C(C=C1CO)SC MCULE-3200633971 [2,0,0,0,0,0|1,1,0]=4 180 B12R1.78 COC1=CC=C(C=C1OC)ON MCULE-4577327812 [2,0,0,0,0,0|2,0,0]=4 181 B12R1.78 COC1=CC=C(C=C1OC)ON MCULE-4966007953 [2,0,0,0,0,0|2,0,0]=4 182 B12R1.268 C=CCC1=CC(=CC=C1OC)C MCULE-4334924941 [2,0,0,0,0,0|1,0,1]=4 183 B12R1.268 CCOC1=CC(=CC=C1OC)O MCULE-4611670178 [2,0,0,0,0,0|2,0,0]=4 184 B12R1.268 CCSC1=CC(=CC=C1OC)C MCULE-7877754129 [2,0,0,0,0,0|2,0,0]=4 185 B12R1.268 CNCC1=C(C=CC(=C1)C)OC MCULE-9258214945 [2,0,0,0,0,0|2,0,0]=4 186 B12R1.268 COC1=C(C=C(C=C1)Br)CCN MCULE-3942411118 [2,0,0,0,0,0|1,0,0]=3 187 B12R1.268 COC1=C(C=C(C=C1)Br)CCN MCULE-9875459545 [2,0,0,0,0,0|1,0,0]=3 188 B12R1.268 COC1=C(C=C(C=C1)C)CC#N MCULE-8881489346 [2,0,0,0,0,0|0,0,2]=4 189 B12R1.268 COC1=C(C=C(C=C1)C)CCN MCULE-7574099078 [2,0,0,0,0,0|0,0,0]=2 190 B12R1.268 COC1=C(C=C(C=C1)C)CCO MCULE-8470066783 [2,0,0,0,0,0|1,0,0]=3 191 B12R1.268 COC1=C(C=C(C=C1)C)CCS MCULE-9663753083 [2,0,0,0,0,0|1,0,0]=3 192 B12R1.268 COC1=C(C=C(C=C1)Cl)CCN MCULE-5004402341 [2,0,0,0,0,0|1,0,0]=3 193 B12R1.268 COC1=C(C=C(C=C1)Cl)CCN MCULE-8175028686 [2,0,0,0,0,0|1,0,0]=3 194 B12R1.268 COC1=C(C=C(C=C1)Cl)CCO MCULE-3416061411 [2,0,0,0,0,0|2,0,0]=4 195 B12R1.268 COC1=C(C=C(C=C1)Cl)CCS MCULE-1799442447 [2,0,0,0,0,0|2,0,0]=4 196 B12R1.268 COC1=C(C=C(C=C1)Cl)CNN MCULE-5113189162 [2,0,0,0,0,0|2,0,0]=4 197 B12R1.268 COC1=C(C=C(C=C1)F)CCO MCULE-8931041136 [2,0,0,0,0,0|2,0,0]=4 198 B12R1.268 COC1=C(C=C(C=C1)F)CCS MCULE-7165887059 [2,0,0,0,0,0|2,0,0]=4 199 B12R1.268 COC1=C(C=C(C=C1)F)CON MCULE-3701852879 [2,0,0,0,0,0|2,0,0]=4 200 B12R1.268 COC1=CC=C(C=C1CCN)F MCULE-3813594595 [2,0,0,0,0,0|1,0,0]=3 201 B12R1.268 COC1=CC=C(C=C1CCN)F MCULE-9435252209 [2,0,0,0,0,0|1,0,0]=3 202 B12R1.268 COC1=CC=C(C=C1CC[NH3+])Br MCULE-9522560546 [2,0,0,0,0,0|1,0,1]=4 203 B12R1.268 COC1=CC=C(C=C1CNN)Cl MCULE-4334392850 [2,0,0,0,0,0|2,0,0]=4 204 B12R1.268 COC1=CC=C(C=C1CON)F MCULE-1232232287 [2,0,0,0,0,0|2,0,0]=4 205 B12R1.268 CSC1=C(C=C(C=C1)Br)CCN MCULE-1741597950 [2,0,0,0,0,0|1,1,0]=4 206 B12R1.268 CSC1=C(C=C(C=C1)Br)CCN MCULE-2441293644 [2,0,0,0,0,0|1,1,0]=4 207 B12R1.270 C=CCC1=C(C=CC(=C1)OC)O MCULE-9097333789 [2,0,0,0,0,0|1,0,1]=4 208 B12R1.270 COC1=CC(=C(C=C1)Br)CCO MCULE-2930552727 [2,0,0,0,0,0|2,0,0]=4 209 B12R1.270 COC1=CC(=C(C=C1)Br)CNN MCULE-7027331712 [2,0,0,0,0,0|2,0,0]=4 210 B12R1.270 COC1=CC(=C(C=C1)Br)CNN MCULE-9346991269 [2,0,0,0,0,0|2,0,0]=4 211 B12R1.270 COC1=CC(=C(C=C1)Br)CON MCULE-6040739500 [2,0,0,0,0,0|2,0,0]=4 212 B12R1.270 COC1=CC(=C(C=C1)F)CCN MCULE-6658100616 [2,0,0,0,0,0|1,0,0]=3 213 B12R1.270 COC1=CC(=C(C=C1)F)CCN MCULE-9674185632 [2,0,0,0,0,0|1,0,0]=3 214 B12R1.270 COC1=CC=C(C(=C1)CCN)Br MCULE-4351929143 [2,0,0,0,0,0|1,0,0]=3 215 B12R1.270 COC1=CC=C(C(=C1)CON)Br MCULE-4773366393 [2,0,0,0,0,0|2,0,0]=4 216 B12R1.270 COC1=CC=C(C(=C1)CON)F MCULE-3253565143 [2,0,0,0,0,0|2,0,0]=4 217 B12R1.270 COC1=CC=C(C(=C1)CON)F MCULE-7832899269 [2,0,0,0,0,0|2,0,0]=4 218 B12R1.448 CCC1=C(C=C(C(=C1)S)C)OC MCULE-6600918017 [2,0,0,0,0,0|1,1,0]=4 219 B12R1.448 CNC1=CC(=C(C=C1OC)Br)Br MCULE-7640610499 [2,0,0,0,0,0|2,0,0]=4 220 B12R1.448 COC1=C(C=C(C(=C1)Br)Br)OC MCULE-1086709999 [2,0,0,0,0,0|2,0,0]=4 221 B12R1.448 COC1=C(C=C(C(=C1)Br)I)OC MCULE-5256341557 [2,0,0,0,0,0|2,0,0]=4 222 B12R1.448 COC1=C(C=C(C(=C1)C)C)CO MCULE-4777236765 [2,0,0,0,0,0|2,0,0]=4 223 B12R1.448 COC1=C(C=C(C(=C1)C)F)OC MCULE-8695011372 [2,0,0,0,0,0|1,1,0]=4 224 B12R1.448 COC1=C(C=C(C(=C1)C)N)OC MCULE-1085100485 [2,0,0,0,0,0|2,0,0]=4 225 B12R1.448 COC1=C(C=C(C(=C1)C)N)OC MCULE-9162828461 [2,0,0,0,0,0|2,0,0]=4 226 B12R1.448 COC1=C(C=C(C(=C1)C)S)OC MCULE-9258277721 [2,0,0,0,0,0|2,0,0]=4 227 B12R1.448 COC1=C(C=C(C(=C1)Cl)Br)OC MCULE-6141370010 [2,0,0,0,0,0|2,0,0]=4 228 B12R1.448 COC1=C(C=C(C(=C1)F)C)CO MCULE-3641409889 [2,0,0,0,0,0|1,1,0]=4 229 B12R1.448 COC1=C(C=C(C(=C1)F)C)SC MCULE-4467950131 [2,0,0,0,0,0|1,1,0]=4 230 B12R1.448 COC1=C(C=C(C(=C1)F)F)CN MCULE-1542221511 [2,0,0,0,0,0|1,1,0]=4 231 B12R1.448 COC1=C(C=C(C(=C1)I)Cl)CN MCULE-5167072726 [2,0,0,0,0,0|1,1,0]=4 232 B12R1.448 COC1=C(C=C(C(=C1)I)Cl)CN MCULE-9864407440 [2,0,0,0,0,0|1,1,0]=4 233 B12R1.448 COC1=C(C=C(C(=C1)N)Br)OC MCULE-8221976941 [2,0,0,0,0,0|2,0,0]=4 234 B12R1.448 COC1=C(C=C(C(=C1)N)O)OC MCULE-5123199003 [2,0,0,0,0,0|2,0,0]=4 235 B12R1.448 COC1=C(C=C(C(=C1)N)O)OC MCULE-5185403778 [2,0,0,0,0,0|2,0,0]=4 236 B12R1.448 COC1=C(C=C(C(=C1)O)Br)OC MCULE-6049817826 [2,0,0,0,0,0|1,0,0]=3 237 B12R1.448 COC1=C(C=C(C(=C1)O)Cl)OC MCULE-5222472043 [2,0,0,0,0,0|1,1,0]=4 238 B12R1.448 COC1=C(C=C(C(=C1)O)F)OC MCULE-9613941935 [2,0,0,0,0,0|1,1,0]=4 239 B12R1.448 COC1=C(N=C(C(=C1)C)Br)OC MCULE-4919083196 [2,0,0,0,0,0|2,0,0]=4 240 B12R1.448 COC1=CC(=C(C=C1C=O)C)Br MCULE-3761495111 [2,0,0,0,0,0|1,0,1]=4 241 B12R1.448 COC1=CC(=C(C=C1CN)F)Br MCULE-4383894939 [2,0,0,0,0,0|1,0,0]=3 242 B12R1.448 COC1=CC(=C(C=C1CO)C)Br MCULE-8305293451 [2,0,0,0,0,0|1,0,0]=3 243 B12R1.448 COC1=CC(=C(C=C1CO)C)Cl MCULE-1114633141 [2,0,0,0,0,0|1,1,0]=4 244 B12R1.448 COC1=CC(=C(C=C1OC)Br)C MCULE-9998388763 [2,0,0,0,0,0|1,0,0]=3 245 B12R1.448 COC1=CC(=C(C=C1OC)Br)F MCULE-5676434927 [2,0,0,0,0,0|2,0,0]=4 246 B12R1.448 COC1=CC(=C(C=C1OC)O)O MCULE-7408439422 [2,0,0,0,0,0|2,0,0]=4 247 B12R1.449 CCC1=C(C=C(C(=C1)OC)N)C MCULE-7915130967 [2,0,0,0,0,0|1,0,0]=3 248 B12R1.449 CCC1=CC(=C(C=C1F)O)OC MCULE-6537679003 [2,0,0,0,0,0|2,0,0]=4 249 B12R1.449 COC1=C(C=C(C(=C1)C=O)O)Br MCULE-7542197459 [2,0,0,0,0,0|1,0,1]=4 250 B12R1.449 COC1=C(C=C(C(=C1)CBr)Br)Br MCULE-3315466221 [2,0,0,0,0,0|2,0,0]=4 251 B12R1.449 COC1=C(C=C(C(=C1)CN)Br)O MCULE-1080196147 [2,0,0,0,0,0|2,0,0]=4 252 B12R1.449 COC1=C(C=C(C(=C1)CN)Br)O MCULE-6275937325 [2,0,0,0,0,0|2,0,0]=4 253 B12R1.449 COC1=C(C=C(C(=C1)CO)Br)Br MCULE-7421616235 [2,0,0,0,0,0|2,0,0]=4 254 B12R1.449 COC1=CC(=C(C=C1Br)Br)OC MCULE-6747101833 [2,0,0,0,0,0|2,0,0]=4 255 B12R1.449 COC1=CC(=C(C=C1Br)C)OC MCULE-1168152616 [2,0,0,0,0,0|1,0,0]=3 256 B12R1.449 COC1=CC(=C(C=C1Br)Cl)OC MCULE-2056989430 [2,0,0,0,0,0|2,0,0]=4 257 B12R1.449 COC1=CC(=C(C=C1Br)F)OC MCULE-8034506039 [2,0,0,0,0,0|2,0,0]=4 258 B12R1.449 COC1=CC(=C(C=C1N)Br)OC MCULE-8716371207 [2,0,0,0,0,0|2,0,0]=4 259 B12R1.449 COC1=CC(=C(C=C1N)C)OC MCULE-5348524133 [2,0,0,0,0,0|2,0,0]=4 260 B12R1.449 COC1=CC(=C(C=C1O)Br)OC MCULE-2990203077 [2,0,0,0,0,0|1,0,0]=3 261 B12R1.449 COC1=CC(=C(C=C1O)Cl)OC MCULE-2520338848 [2,0,0,0,0,0|1,1,0]=4 262 B12R1.449 COC1=CC(=C(C=C1O)F)OC MCULE-7958112590 [2,0,0,0,0,0|1,1,0]=4 263 B12R1.449 COC1=NC(=C(C=C1C)Br)OC MCULE-6772341447 [2,0,0,0,0,0|2,0,0]=4 264 B12R1.449 COC1=NC(=C(C=C1O)Br)OC MCULE-9277162559 [2,0,0,0,0,0|2,0,0]=4 265 B12R1.450 CCC1=C(C=C(C(=C1)O)OC)C MCULE-7157111348 [2,0,0,0,0,0|2,0,0]=4 266 B12R1.450 COC1=C(C=C(C(=C1)C)C=O)Br MCULE-6172254660 [2,0,0,0,0,0|2,0,0]=4 267 B12R1.450 COC1=C(C=C(C(=C1)C)SC)F MCULE-7686154936 [2,0,0,0,0,0|0,2,0]=4 268 B12R1.450 COC1=C(C=C(C(=C1)N)C#N)Br MCULE-7566131258 [2,0,0,0,0,0|2,0,0]=4 269 B12R1.450 COC1=C(C=C(C(=C1)N)C=O)Br MCULE-5102806076 [2,0,0,0,0,0|2,0,0]=4 270 B12R1.450 COC1=C(C=C(C(=C1)N)CO)Br MCULE-5108241339 [2,0,0,0,0,0|2,0,0]=4 271 B12R1.450 COC1=CC(=C(C=C1Br)OC)Br MCULE-9871512201 [2,0,0,0,0,0|1,0,0]=3 272 B12R1.450 COC1=CC(=C(C=C1Br)OC)C MCULE-6694223453 [2,0,0,0,0,0|0,0,0]=2 273 B12R1.450 COC1=CC(=C(C=C1Br)OC)I MCULE-1322525221 [2,0,0,0,0,0|1,0,0]=3 274 B12R1.450 COC1=CC(=C(C=C1Br)OC)N MCULE-3188839814 [2,0,0,0,0,0|0,0,0]=2 275 B12R1.450 COC1=CC(=C(C=C1Br)OC)O MCULE-7043067761 [2,0,0,0,0,0|1,0,0]=3 276 B12R1.450 COC1=CC(=C(C=C1C)OC)C MCULE-3804023433 [2,0,0,0,0,0|1,0,0]=3 277 B12R1.450 COC1=CC(=C(C=C1C)OC)Cl MCULE-5616815035 [2,0,0,0,0,0|0,1,0]=3 278 B12R1.450 COC1=CC(=C(C=C1C)SC)Cl MCULE-7398620761 [2,0,0,0,0,0|0,2,0]=4 279 B12R1.450 COC1=CC(=C(C=C1C)SC)F MCULE-2707088437 [2,0,0,0,0,0|0,2,0]=4 280 B12R1.450 COC1=CC(=C(C=C1Cl)OC)Cl MCULE-4635913324 [2,0,0,0,0,0|1,1,0]=4 281 B12R1.450 COC1=CC(=C(C=C1Cl)OC)I MCULE-8855414250 [2,0,0,0,0,0|1,1,0]=4 282 B12R1.450 COC1=CC(=C(C=C1Cl)OC)N MCULE-6850558573 [2,0,0,0,0,0|0,1,0]=3 283 B12R1.450 COC1=CC(=C(C=C1Cl)SC)C MCULE-6375174656 [2,0,0,0,0,0|0,2,0]=4 284 B12R1.450 COC1=CC(=C(C=C1F)OC)Br MCULE-9423681337 [2,0,0,0,0,0|1,0,0]=3 285 B12R1.450 COC1=CC(=C(C=C1F)OC)F MCULE-7917054702 [2,0,0,0,0,0|1,1,0]=4 286 B12R1.450 COC1=CC(=C(C=C1I)OC)C MCULE-9413429718 [2,0,0,0,0,0|0,1,0]=3 287 B12R1.450 COC1=CC(=C(C=C1I)OC)I MCULE-2799980083 [2,0,0,0,0,0|1,1,0]=4 288 B12R1.450 COC1=CC(=C(C=C1N)OC)N MCULE-4366646551 [2,0,0,0,0,0|1,0,0]=3 289 B12R1.450 COC1=CC(=C(C=C1N)OC)N MCULE-9862533045 [2,0,0,0,0,0|1,0,0]=3 290 B12R1.450 COC1=CC(=C(C=C1O)OC)Cl MCULE-2123625936 [2,0,0,0,0,0|1,1,0]=4 291 B12R1.450 COC1=CC(=C(C=C1O)OC)O MCULE-5669259126 [2,0,0,0,0,0|2,0,0]=4 292 B12R1.450 COC1=CC(=O)C(=CC1=O)OC MCULE-8597313327 [2,0,0,0,0,0|2,0,0]=4 293 B12R1.112 CCOC1=CC=C(C=C1OC)Br MCULE-8137083541 [2,0,0,0,0,0|2,0,0]=4 294 B12R1.112 CNCC1=C(C=C(C=C1)Br)OC MCULE-3861577342 [2,0,0,0,0,0|2,0,0]=4 295 B12R1.112 COC1=C(C=CC(=C1)Br)CC#N MCULE-6198619667 [2,0,0,0,0,0|0,0,2]=4 296 B12R1.112 COC1=C(C=CC(=C1)Br)CNN MCULE-9065263318 [2,0,0,0,0,0|1,0,0]=3 297 B12R1.112 COC1=C(C=CC(=C1)F)CCO MCULE-8850495431 [2,0,0,0,0,0|1,1,0]=4 298 B12R1.112 COC1=CC(=CC=C1CCBr)F MCULE-1310776766 [2,0,0,0,0,0|1,1,0]=4 299 B12R1.112 COC1=CC(=CC=C1CCN)Br MCULE-9651258790 [2,0,0,0,0,0|0,0,0]=2 300 B12R1.112 COC1=CC(=CC=C1CCN)Cl MCULE-6683139993 [2,0,0,0,0,0|0,1,0]=3 301 B12R1.112 COC1=CC(=CC=C1CCS)F MCULE-6097747175 [2,0,0,0,0,0|1,1,0]=4 302 B12R1.112 COC1=CC(=CC=C1CON)Cl MCULE-8898941473 [2,0,0,0,0,0|1,1,0]=4 303 B12R1.112 COCC1=CC=C(C=C1OC)Br MCULE-4749647238 [2,0,0,0,0,0|2,0,0]=4 304 B12R1.1123 CC1=CC(=C(C=C1C)CCN)C MCULE-9967713789 [2,0,0,0,0,0|1,0,0]=3 305 B12R1.1123 CC1=CC(=C(C=C1C)CCO)C MCULE-4139700681 [2,0,0,0,0,0|2,0,0]=4 306 B12R1.1123 CC1=CC(=C(C=C1C)CCS)C MCULE-4397763164 [2,0,0,0,0,0|2,0,0]=4 307 B12R1.1123 CC1=CC(=C(C=C1CCN)O)O MCULE-1030263588 [2,0,0,0,0,0|1,0,0]=3 308 B12R1.1123 CC1=CC(=C(C=C1CCN)O)O MCULE-3573908156 [2,0,0,0,0,0|1,0,0]=3 309 B12R1.1123 CC1=CC(=C(C=C1CNN)C)C MCULE-8738487966 [2,0,0,0,0,0|2,0,0]=4 310 B12R1.1123 CCCC1=CC(=C(C=C1O)C)O MCULE-2368940706 [2,0,0,0,0,0|2,0,0]=4 311 B12R1.1123 NCCC1=C(C=C(C(=C1)O)O)O MCULE-1312792933 [2,0,0,0,0,0|1,0,0]=3 312 B12R1.1123 NCCC1=C(C=C(C(=C1)O)O)O MCULE-7480233859 [2,0,0,0,0,0|1,0,0]=3 313 B12R1.1123 NCCC1=CC(=C(C=C1O)O)O MCULE-6193725661 [2,0,0,0,0,0|1,0,0]=3 314 B12R1.286 C=CCC1=CC(=C(C=C1)Br)OC MCULE-2919188713 [2,0,0,0,0,0|1,0,1]=4 315 B12R1.286 CCCC1=CC=C(C(=C1)OC)O MCULE-7491972346 [2,0,0,0,0,0|2,0,0]=4 316 B12R1.286 CCNC1=CC(=C(C=C1)Br)OC MCULE-6590561644 [2,0,0,0,0,0|2,0,0]=4 317 B12R1.286 CCOC1=CC(=C(C=C1)Br)OC MCULE-3864560411 [2,0,0,0,0,0|2,0,0]=4 318 B12R1.286 CNCC1=CC=C(C(=C1)OC)Br MCULE-8209802679 [2,0,0,0,0,0|2,0,0]=4 319 B12R1.286 COC1=C(C=CC(=C1)CCN)C MCULE-9824242081 [2,0,0,0,0,0|1,0,0]=3 320 B12R1.286 COC1=C(C=CC(=C1)CCN)Cl MCULE-9950563053 [2,0,0,0,0,0|0,1,0]=3 321 B12R1.286 COC1=C(C=CC(=C1)CCN)O MCULE-2832692491 [2,0,0,0,0,0|1,0,0]=3 322 B12R1.286 COC1=C(C=CC(=C1)CCN)O MCULE-3695866663 [2,0,0,0,0,0|1,0,0]=3 323 B12R1.286 COC1=C(C=CC(=C1)CCO)Br MCULE-5652974580 [2,0,0,0,0,0|1,0,0]=3 324 B12R1.286 COC1=C(C=CC(=C1)CCO)N MCULE-3822312323 [2,0,0,0,0,0|2,0,0]=4 325 B12R1.286 COC1=C(C=CC(=C1)CCO)N MCULE-6975675694 [2,0,0,0,0,0|2,0,0]=4 326 B12R1.286 COC1=C(C=CC(=C1)CCO)O MCULE-1314752198 [2,0,0,0,0,0|2,0,0]=4 327 B12R1.286 COC1=C(C=CC(=C1)CNN)C MCULE-6682276717 [2,0,0,0,0,0|2,0,0]=4 328 B12R1.286 COC1=C(C=CC(=C1)CNN)F MCULE-2575260787 [2,0,0,0,0,0|1,1,0]=4 329 B12R1.286 COC1=C(N=CC(=C1)CCN)Cl MCULE-5541413958 [2,0,0,0,0,0|1,1,0]=4 330 B12R1.286 COC1=C(N=CC(=C1)CCN)Cl MCULE-7628232671 [2,0,0,0,0,0|1,1,0]=4 331 B12R1.286 COC1=CC(=CC=C1Br)CC#N MCULE-5610254322 [2,0,0,0,0,0|0,0,2]=4 332 B12R1.286 COC1=CC(=CC=C1Br)CCN MCULE-7920824133 [2,0,0,0,0,0|0,0,0]=2 333 B12R1.286 COC1=CC(=CC=C1Br)CCN MCULE-8530411946 [2,0,0,0,0,0|0,0,0]=2 334 B12R1.286 COC1=CC(=CC=C1F)CCN MCULE-1671542047 [2,0,0,0,0,0|0,1,0]=3 335 B12R1.286 COC1=CC(=CC=C1F)CNN MCULE-2124824216 [2,0,0,0,0,0|1,1,0]=4 336 B12R1.286 COC1=CC(=CC=C1O)CCBr MCULE-4354866516 [2,0,0,0,0,0|2,0,0]=4 337 B14R1.759 C=CCCC1=C(C=CC(=C1)OC)OC MCULE-5150024717 [1,1,0,0,0,0|1,0,0]=3 338 B14R1.759 C=CCSC1=C(C=CC(=C1)OC)OC MCULE-1969424671 [1,1,0,0,0,0|1,0,1]=4 339 B14R1.759 CCCCC1=C(C=CC(=C1)OC)OC MCULE-8619463586 [1,1,0,0,0,0|1,0,0]=3 340 B14R1.759 CCCOC1=C(C=CC(=C1)SC)OC MCULE-4346246201 [1,1,0,0,0,0|1,1,0]=4 341 B14R1.759 COC1=CC=C(C(=C1)C#CCBr)OC MCULE-3062798447 [1,1,0,0,0,0|1,0,1]=4 342 B14R1.759 COC1=CC=C(C(=C1)C#CCCl)OC MCULE-3664810324 [1,1,0,0,0,0|1,0,1]=4 343 B14R1.759 COC1=CC=C(C(=C1)C#CCO)OC MCULE-7463329661 [1,1,0,0,0,0|1,0,1]=4 344 B14R1.759 COC1=CC=C(C(=C1)CCCN)OC MCULE-5793199169 [1,1,0,0,0,0|0,0,0]=2 345 B14R1.759 COC1=CC=C(C(=C1)CCCO)OC MCULE-6690181130 [1,1,0,0,0,0|1,0,0]=3 346 B14R1.759 COC1=CC=C(C(=C1)CSC#N)OC MCULE-2459276773 [1,1,0,0,0,0|0,0,2]=4 347 B14R1.2315 C=C[C@@H](N)C1=CC(=CC=C1OC)OC MCULE-1510430175 [1,1,0,0,0,0|1,0,1]=4 348 B14R1.2315 C=C[C@@H](N)C1=CC(=CC=C1OC)OC MCULE-6665265245 [1,1,0,0,0,0|1,0,1]=4 349 B14R1.2315 C=C[C@H](N)C1=CC(=CC=C1OC)OC MCULE-1121045092 [1,1,0,0,0,0|1,0,1]=4 350 B14R1.2315 C=C[C@H](N)C1=CC(=CC=C1OC)OC MCULE-1986307064 [1,1,0,0,0,0|1,0,1]=4 351 B14R1.2315 CCC(=O)C1=CC(=CC=C1OC)OC MCULE-8876073325 [1,1,0,0,0,0|1,0,1]=4 352 B14R1.2315 CCC(O)C1=CC(=CC=C1OC)OC MCULE-5795699061 [1,1,0,0,0,0|1,0,0]=3 353 B14R1.2315 CC[C@@H](N)C1=CC(=CC=C1OC)OC MCULE-1131301226 [1,1,0,0,0,0|1,0,0]=3 354 B14R1.2315 CC[C@@H](N)C1=CC(=CC=C1OC)OC MCULE-1698055985 [1,1,0,0,0,0|1,0,0]=3 355 B14R1.2315 CC[C@H](N)C1=CC(=CC=C1OC)OC MCULE-3243954138 [1,1,0,0,0,0|1,0,0]=3 356 B14R1.2315 CC[C@H](N)C1=CC(=CC=C1OC)OC MCULE-7232477832 [1,1,0,0,0,0|1,0,0]=3 357 B14R1.2315 COC1=CC(=C(C=C1)OC)C(=O)CBr MCULE-8194953100 [1,1,0,0,0,0|1,0,1]=4 358 B14R1.2315 COC1=CC(=C(C=C1)OC)C(=O)NN MCULE-7411353196 [1,1,0,0,0,0|1,0,1]=4 359 B14R1.2315 COC1=CC(=C(C=C1)OC)C(N)CO MCULE-2305304547 [1,1,0,0,0,0|1,0,0]=3 360 B14R1.2315 COC1=CC(=C(C=C1)OC)C(O)CBr MCULE-1062955439 [1,1,0,0,0,0|1,0,0]=3 361 B14R1.2315 COC1=CC(=C(C=C1)OC)C(O)CN MCULE-4659234636 [1,1,0,0,0,0|0,0,0]=2 362 B14R1.2315 COC1=CC(=C(C=C1)OC)C(O)CN MCULE-6688431628 [1,1,0,0,0,0|0,0,0]=2 363 B14R1.2315 COC1=CC(=C(C=C1)OC)[C@@H](N)CO MCULE-1859971418 [1,1,0,0,0,0|1,0,0]=3 364 B14R1.2315 COC1=CC(=C(C=C1)OC)[C@H](N)CO MCULE-1651835870 [1,1,0,0,0,0|1,0,0]=3 365 B14R1.2315 COC1=CC=C(C(=C1)C(=O)CCl)OC MCULE-4142649158 [1,1,0,0,0,0|1,0,1]=4 366 B14R1.2315 COC1=CC=C(C(=C1)C(=O)CN)OC MCULE-3060121306 [1,1,0,0,0,0|0,0,1]=3 367 B14R1.2315 COC1=CC=C(C(=C1)C(=O)CN)OC MCULE-5609519309 [1,1,0,0,0,0|0,0,1]=3 368 B14R1.2315 COC1=CC=C(C(=C1)C(N)CO)OC MCULE-4965531123 [1,1,0,0,0,0|1,0,0]=3 369 B14R1.2315 COC1=CC=C(C(=C1)[C@@H](N)CF)OC MCULE-6103303188 [1,1,0,0,0,0|1,0,0]=3 370 B14R1.2315 COC1=CC=C(C(=C1)[C@@H](N)CF)OC MCULE-8153936047 [1,1,0,0,0,0|1,0,0]=3 371 B14R1.2315 COC1=CC=C(C(=C1)[C@@H](N)CN)OC MCULE-4078887031 [1,1,0,0,0,0|0,0,0]=2 372 B14R1.2315 COC1=CC=C(C(=C1)[C@@H](N)CN)OC MCULE-6368857522 [1,1,0,0,0,0|0,0,0]=2 373 B14R1.2315 COC1=CC=C(C(=C1)[C@@H](N)CO)OC MCULE-1898405713 [1,1,0,0,0,0|1,0,0]=3 374 B14R1.2315 COC1=CC=C(C(=C1)[C@H](N)CF)OC MCULE-5527079607 [1,1,0,0,0,0|1,0,0]=3 375 B14R1.2315 COC1=CC=C(C(=C1)[C@H](N)CF)OC MCULE-6173567398 [1,1,0,0,0,0|1,0,0]=3 376 B14R1.2315 COC1=CC=C(C(=C1)[C@H](N)CN)OC MCULE-2128614062 [1,1,0,0,0,0|0,0,0]=2 377 B14R1.2315 COC1=CC=C(C(=C1)[C@H](N)CN)OC MCULE-8035423394 [1,1,0,0,0,0|0,0,0]=2 378 B14R1.2315 COC1=CC=C(C(=C1)[C@H](N)CO)OC MCULE-9230015749 [1,1,0,0,0,0|1,0,0]=3 379 B14R1.3723 C=C(Br)CC1=C(C=CC(=C1)OC)OC MCULE-7158111030 [1,1,0,0,0,0|1,0,1]=4 380 B14R1.3723 C=C(C)CC1=C(C=CC(=C1)OC)OC MCULE-8033917980 [1,1,0,0,0,0|1,0,1]=4 381 B14R1.3723 C=C(Cl)CC1=C(C=CC(=C1)OC)OC MCULE-6914197153 [1,1,0,0,0,0|1,0,1]=4 382 B14R1.3723 COC1=CC(=C(C=C1)OC)CC(=O)O MCULE-4793996064 [1,1,0,0,0,0|1,0,1]=4 383 B14R1.3723 COC1=CC(=C(C=C1)OC)CC(C)O MCULE-3669396538 [1,1,0,0,0,0|1,0,0]=3 384 B14R1.3723 COC1=CC(=C(C=C1)OC)NC(=N)N MCULE-5050446277 [1,1,0,0,0,0|1,0,1]=4 385 B14R1.3723 COC1=CC(=C(C=C1)OC)NC(=S)N MCULE-8364503555 [1,1,0,0,0,0|1,0,1]=4 386 B14R1.3723 COC1=CC(=C(C=C1)OC)NC(C)C MCULE-7065054056 [1,1,0,0,0,0|2,0,0]=4 387 B14R1.3723 COC1=CC=C(C(=C1)CC(=O)C)OC MCULE-7807776301 [1,1,0,0,0,0|1,0,1]=4 388 B14R1.3723 COC1=CC=C(C(=C1)CC(=O)Cl)OC MCULE-5087772177 [1,1,0,0,0,0|1,0,1]=4 389 B14R1.3723 COC1=CC=C(C(=C1)CC(C)C)OC MCULE-2534250678 [1,1,0,0,0,0|1,0,0]=3 390 B14R1.3723 COC1=CC=C(C(=C1)CC(C)N)OC MCULE-7485706068 [1,1,0,0,0,0|0,0,0]=2 391 B14R1.3723 COC1=CC=C(C(=C1)NC(=N)N)OC MCULE-5764790764 [1,1,0,0,0,0|1,0,1]=4 392 B14R1.3723 COC1=CC=C(C(=C1)SC(C)C)OC MCULE-4976893676 [1,1,0,0,0,0|2,0,0]=4 393 B14R1.558 COC1=C(C(=C(C(=C1)N)OC)C)OC MCULE-3039603714 [1,1,0,0,0,0|2,0,0]=4 394 B14R1.1851 COC1=C(C=C(C(=C1)Br)C(=O)C)OC MCULE-2735662348 [1,1,0,0,0,0|2,0,0]=4 395 B14R1.1851 COC1=C(C=C(C(=C1)Br)[C@@H](C)N)OC MCULE-1867570984 [1,1,0,0,0,0|2,0,0]=4 396 B14R1.1851 COC1=CC(=C(C=C1OC)[C@@H](C)N)Br MCULE-6505489814 [1,1,0,0,0,0|2,0,0]=4 397 B14R1.1851 COC1=CC(=C(C=C1OC)[C@H](C)N)Br MCULE-1992687636 [1,1,0,0,0,0|2,0,0]=4 398 B14R1.1851 COC1=CC(=C(C=C1OC)[C@H](C)N)Br MCULE-8916663330 [1,1,0,0,0,0|2,0,0]=4 399 B14R1.2282 CCC1=C(C=C(C(=C1)OC)C=O)OC MCULE-8823852425 [1,1,0,0,0,0|1,0,0]=3 400 B14R1.2282 COC1=CC(=C(C=C1C#N)OC)OC MCULE-8290305508 [1,1,0,0,0,0|2,0,0]=4 401 B14R1.2282 COC1=CC(=C(C=C1C=O)OC)SC MCULE-2499917687 [1,1,0,0,0,0|2,0,0]=4 402 B14R1.2282 COC1=CC(=C(C=C1CCl)OC)CCl MCULE-8480106950 [1,1,0,0,0,0|1,1,0]=4 403 B14R1.2282 COC1=CC(=C(C=C1CO)OC)CO MCULE-3161191010 [1,1,0,0,0,0|2,0,0]=4 404 B14R1.2282 COC1=CC(=C(C=C1OC)OC)C=O MCULE-7174618286 [1,1,0,0,0,0|2,0,0]=4 405 B14R1.2282 COC1=CC(=C(C=C1OC)OC)CN MCULE-7705200597 [1,1,0,0,0,0|1,0,0]=3 406 B14R1.2282 COC1=CC(=C(C=C1OC)OC)CN MCULE-8639025175 [1,1,0,0,0,0|1,0,0]=3 407 B14R1.2282 COC1=CC(=C(C=C1OC)OC)CO MCULE-6424481684 [1,1,0,0,0,0|2,0,0]=4 408 B14R1.2282 COC1=CC(=C(C=C1OC)OC)CS MCULE-4892112887 [1,1,0,0,0,0|2,0,0]=4 409 B14R1.2282 COC1=CC(=C(C=C1OC)OC)OC MCULE-8311309828 [1,1,0,0,0,0|2,0,0]=4 410 B14R1.2282 COC1=CC(=C(C=C1SC)OC)SC MCULE-9515336557 [1,1,0,0,0,0|2,0,0]=4 411 B14R1.2288 COC1=CC(=C(C=C1Br)OC)B(O)O MCULE-8801163935 [1,1,0,0,0,0|2,0,0]=4 412 B14R1.2288 COC1=CC(=C(C=C1Br)OC)C(F)F MCULE-6803232395 [1,1,0,0,0,0|1,0,0]=3 413 B14R1.2288 COC1=CC(=C(C=C1C(=O)C)OC)Br MCULE-6745453136 [1,1,0,0,0,0|0,0,1]=3 414 B14R1.2288 COC1=CC(=C(C=C1C(=O)C)OC)O MCULE-9224916887 [1,1,0,0,0,0|1,0,1]=4 415 B14R1.2288 COC1=CC(=C(C=C1C(=O)O)OC)Br MCULE-5924456592 [1,1,0,0,0,0|1,0,1]=4 416 B14R1.2288 COC1=CC(=C(C=C1N(=O)=O)OC)Br MCULE-5456887819 [1,1,0,0,0,0|2,0,0]=4 417 B14R1.2288 COC1=CC(=C(C=C1[C@@H](C)N)OC)Br MCULE-3312717737 [1,1,0,0,0,0|0,0,0]=2 418 B14R1.2288 COC1=CC(=C(C=C1[C@@H](C)N)OC)Br MCULE-6997566561 [1,1,0,0,0,0|0,0,0]=2 419 B14R1.2288 COC1=CC(=C(C=C1[C@H](C)N)OC)Br MCULE-2845785792 [1,1,0,0,0,0|0,0,0]=2 420 B14R1.2288 COC1=CC(=C(C=C1[C@H](C)N)OC)Br MCULE-2854349338 [1,1,0,0,0,0|0,0,0]=2 421 B14R1.14946 CNCC1=CC(=C(C=C1Br)OC)OC MCULE-7439893774 [1,1,0,0,0,0|2,0,0]=4 422 B14R1.14946 CNCC1=CC(=C(C=C1Br)OC)OC MCULE-7504504384 [1,1,0,0,0,0|2,0,0]=4 423 B14R1.14946 COC1=C(C=C(C(=C1)Br)CCBr)OC MCULE-4479249565 [1,1,0,0,0,0|2,0,0]=4 424 B14R1.14946 COC1=C(C=C(C(=C1)Br)CCN)OC MCULE-5443643289 [1,1,0,0,0,0|2,0,0]=4 425 B14R1.14946 COC1=C(C=C(C(=C1)Br)CCN)OC MCULE-8018027198 [1,1,0,0,0,0|2,0,0]=4 426 B14R1.14946 COC1=C(C=C(C(=C1)Br)CCN)OC MCULE-8929980048 [1,1,0,0,0,0|2,0,0]=4 427 B14R1.14946 COC1=CC(=C(C=C1OC)CCO)Br MCULE-5550195083 [1,1,0,0,0,0|2,0,0]=4 428 B14R1.2295 COC1=CC(=C(C=C1CC(=O)O)C)Br MCULE-5540209565 [1,1,0,0,0,0|1,0,1]=4 429 B14R1.2283 COC1=CC(=C(C=C1Br)O)C(=O)CCl MCULE-8627867630 [1,1,0,0,0,0|1,0,1]=4 430 B16R1.20043 CCC1=C(C=C(C(=C1)OC)CC(C)N)OC MCULE-9779805994 [0,2,0,0,0,0|1,0,0]=3 431 B16R1.20043 CCC1=CC(=C(C=C1OC)CC(C)N)OC MCULE-4513775531 [0,2,0,0,0,0|1,0,0]=3 432 B16R1.20087 CCC(N)CC1=C(C=C(C(=C1)OC)C)OC MCULE-2536430507 [0,2,0,0,0,0|1,0,0]=3 433 B16R1.20087 CCC([NH3+])CC1=C(C=C(C(=C1)OC)C)OC MCULE-3150070526 [0,2,0,0,0,0|1,0,1]=4 434 B16R1.20087 CNC(C)CC1=CC(=C(C=C1OC)Br)OC MCULE-5691703828 [0,2,0,0,0,0|0,0,0]=2 435 B16R1.20087 COC1=CC(=C(C=C1Cl)OC)NC(=O)CN MCULE-1097021548 [0,2,0,0,0,0|0,1,1]=4 436 B16R1.20087 COC1=CC(=C(C=C1Cl)OC)NC(=O)CN MCULE-7015739895 [0,2,0,0,0,0|0,1,1]=4 437 B16R1.84460 COC1=CC(=C(C=C1[C@@H](N)C(F)F)OC)Br MCULE-5807592385 [0,2,0,0,0,0|1,0,0]=3 438 B16R1.84460 COC1=CC(=C(C=C1[C@@H](N)C(F)F)OC)Br MCULE-9866498492 [0,2,0,0,0,0|1,0,0]=3 439 B16R1.84460 COC1=CC(=C(C=C1[C@@H](N)[C@H](C)O)OC)Br MCULE-6426633998 [0,2,0,0,0,0|1,0,0]=3 440 B16R1.84460 COC1=CC(=C(C=C1[C@@H](N)[C@H](C)O)OC)Br MCULE-8785579293 [0,2,0,0,0,0|1,0,0]=3 441 B16R1.84460 COC1=CC(=C(C=C1[C@H](N)C(F)F)OC)Br MCULE-1832891935 [0,2,0,0,0,0|1,0,0]=3 442 B16R1.84460 COC1=CC(=C(C=C1[C@H](N)C(F)F)OC)Br MCULE-4765811586 [0,2,0,0,0,0|1,0,0]=3 443 B16R1.84460 COC1=CC(=C(C=C1[C@H](N)[C@@H](C)O)OC)Br MCULE-3612765359 [0,2,0,0,0,0|1,0,0]=3 444 B16R1.84460 COC1=CC(=C(C=C1[C@H](N)[C@@H](C)O)OC)Br MCULE-9133148323 [0,2,0,0,0,0|1,0,0]=3 445 B16R1.20099 CC[C@@H](N)C1=CC(=C(C=C1OC)OC)OC MCULE-1287702289 [0,2,0,0,0,0|2,0,0]=4 446 B16R1.20099 CC[C@@H](N)C1=CC(=C(C=C1OC)OC)OC MCULE-6035913737 [0,2,0,0,0,0|2,0,0]=4 447 B16R1.20099 CC[C@H](N)C1=CC(=C(C=C1OC)OC)OC MCULE-3761493223 [0,2,0,0,0,0|2,0,0]=4 448 B16R1.20099 CC[C@H](N)C1=CC(=C(C=C1OC)OC)OC MCULE-7376047386 [0,2,0,0,0,0|2,0,0]=4 449 B16R1.20099 COC1=CC(=C(C=C1C(N)CO)OC)OC MCULE-1762034693 [0,2,0,0,0,0|2,0,0]=4 450 B16R1.20099 COC1=CC(=C(C=C1C(N)CO)OC)OC MCULE-3625976337 [0,2,0,0,0,0|2,0,0]=4 451 B16R1.20099 COC1=CC(=C(C=C1OC)[C@@H](N)CO)OC MCULE-6650072023 [0,2,0,0,0,0|2,0,0]=4 452 B16R1.20099 COC1=CC(=C(C=C1[C@@H](N)CF)OC)OC MCULE-3641379331 [0,2,0,0,0,0|2,0,0]=4 453 B16R1.20099 COC1=CC(=C(C=C1[C@@H](N)CF)OC)OC MCULE-5409909736 [0,2,0,0,0,0|2,0,0]=4 454 B16R1.20099 COC1=CC(=C(C=C1[C@@H](N)CN)OC)OC MCULE-2487503246 [0,2,0,0,0,0|1,0,0]=3 455 B16R1.20099 COC1=CC(=C(C=C1[C@@H](N)CN)OC)OC MCULE-6720626407 [0,2,0,0,0,0|1,0,0]=3 456 B16R1.20099 COC1=CC(=C(C=C1[C@@H](N)CO)OC)OC MCULE-9557725191 [0,2,0,0,0,0|2,0,0]=4 457 B16R1.20099 COC1=CC(=C(C=C1[C@H](N)CF)OC)OC MCULE-4117766188 [0,2,0,0,0,0|2,0,0]=4 458 B16R1.20099 COC1=CC(=C(C=C1[C@H](N)CF)OC)OC MCULE-4322265665 [0,2,0,0,0,0|2,0,0]=4 459 B16R1.20099 COC1=CC(=C(C=C1[C@H](N)CN)OC)OC MCULE-5385222275 [0,2,0,0,0,0|1,0,0]=3 460 B16R1.20099 COC1=CC(=C(C=C1[C@H](N)CN)OC)OC MCULE-5908928033 [0,2,0,0,0,0|1,0,0]=3 461 B16R1.20099 COC1=CC(=C(C=C1[C@H](N)CO)OC)OC MCULE-2486119498 [0,2,0,0,0,0|2,0,0]=4 462 B16R1.20099 COC1=CC(=C(C=C1[C@H](N)CO)OC)OC MCULE-5979703554 [0,2,0,0,0,0|2,0,0]=4 463 B16R1.70488 C=CC[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-7352751933 [0,2,0,0,0,0|1,0,0]=3 464 B16R1.70488 C=CC[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-7795491019 [0,2,0,0,0,0|1,0,0]=3 465 B16R1.70488 C=CC[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-3078796632 [0,2,0,0,0,0|1,0,0]=3 466 B16R1.70488 C=CC[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-5279498679 [0,2,0,0,0,0|1,0,0]=3 467 B16R1.70488 CCC[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-5314419806 [0,2,0,0,0,0|1,0,0]=3 468 B16R1.70488 CCC[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-8928580609 [0,2,0,0,0,0|1,0,0]=3 469 B16R1.70488 CCC[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-3065133769 [0,2,0,0,0,0|1,0,0]=3 470 B16R1.70488 CCC[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-3519601819 [0,2,0,0,0,0|1,0,0]=3 471 B16R1.70488 COC1=CC(=C(C=C1[C@@H](N)CC#N)OC)Br MCULE-4613333351 [0,2,0,0,0,0|0,0,1]=3 472 B16R1.70488 COC1=CC(=C(C=C1[C@@H](N)CC#N)OC)Br MCULE-6156078896 [0,2,0,0,0,0|0,0,1]=3 473 B16R1.70488 COC1=CC(=C(C=C1[C@@H](N)CCF)OC)Br MCULE-5926280410 [0,2,0,0,0,0|1,0,0]=3 474 B16R1.70488 COC1=CC(=C(C=C1[C@@H](N)CCF)OC)Br MCULE-6525942929 [0,2,0,0,0,0|1,0,0]=3 475 B16R1.70488 COC1=CC(=C(C=C1[C@@H](N)CCN)OC)Br MCULE-4830265921 [0,2,0,0,0,0|0,0,0]=2 476 B16R1.70488 COC1=CC(=C(C=C1[C@@H](N)CCN)OC)Br MCULE-5389179696 [0,2,0,0,0,0|0,0,0]=2 477 B16R1.70488 COC1=CC(=C(C=C1[C@@H](N)CCO)OC)Br MCULE-8182150279 [0,2,0,0,0,0|1,0,0]=3 478 B16R1.70488 COC1=CC(=C(C=C1[C@@H](N)CCO)OC)Br MCULE-9131207158 [0,2,0,0,0,0|1,0,0]=3 479 B16R1.70488 COC1=CC(=C(C=C1[C@H](N)CC#N)OC)Br MCULE-1635443677 [0,2,0,0,0,0|0,0,1]=3 480 B16R1.70488 COC1=CC(=C(C=C1[C@H](N)CC#N)OC)Br MCULE-2944744686 [0,2,0,0,0,0|0,0,1]=3 481 B16R1.70488 COC1=CC(=C(C=C1[C@H](N)CCF)OC)Br MCULE-5648475014 [0,2,0,0,0,0|1,0,0]=3 482 B16R1.70488 COC1=CC(=C(C=C1[C@H](N)CCF)OC)Br MCULE-8192693734 [0,2,0,0,0,0|1,0,0]=3 483 B16R1.70488 COC1=CC(=C(C=C1[C@H](N)CCN)OC)Br MCULE-1496051749 [0,2,0,0,0,0|0,0,0]=2 484 B16R1.70488 COC1=CC(=C(C=C1[C@H](N)CCN)OC)Br MCULE-2182350855 [0,2,0,0,0,0|0,0,0]=2 485 B16R1.70488 COC1=CC(=C(C=C1[C@H](N)CCO)OC)Br MCULE-2833817236 [0,2,0,0,0,0|1,0,0]=3 486 B16R1.70488 COC1=CC(=C(C=C1[C@H](N)CCO)OC)Br MCULE-9660829002 [0,2,0,0,0,0|1,0,0]=3 487 B16R1.84464 COC1=CC(=C(C=C1C(CN)OC)OC)Br MCULE-1907587338 [0,2,0,0,0,0|0,0,0]=2 488 B16R1.84464 COC1=CC(=C(C=C1C(CN)OC)OC)Br MCULE-7751740322 [0,2,0,0,0,0|0,0,0]=2 489 B16R1.25749 CCCC1=CC(=C(C=C1OC)CCN)OC MCULE-3240542739 [0,2,0,0,0,0|1,0,0]=3 490 B16R1.25749 CCCC1=CC(=C(C=C1OC)CCN)OC MCULE-5259266086 [0,2,0,0,0,0|1,0,0]=3 491 B16R1.25749 CCSC1=C(C=C(C(=C1)OC)CCN)OC MCULE-1874529442 [0,2,0,0,0,0|1,0,0]=3 492 B16R1.25749 CCSC1=C(C=C(C(=C1)OC)CCN)OC MCULE-4231546012 [0,2,0,0,0,0|1,0,0]=3 493 B16R1.25767 COC1=CC(=C(C=C1CCN)OC)N(=O)=O MCULE-7309510984 [0,2,0,0,0,0|1,0,0]=3 494 B16R1.25767 COC1=CC(=C(C=C1N(=O)=O)OC)CCN MCULE-5713043267 [0,2,0,0,0,0|1,0,0]=3 495 B16R1.73198 CCNCC1=CC(=C(C=C1OC)OC)OC MCULE-4934464689 [0,2,0,0,0,0|2,0,0]=4 496 B16R1.73198 CCNCC1=CC(=C(C=C1OC)OC)OC MCULE-7929243177 [0,2,0,0,0,0|2,0,0]=4 497 B16R1.29870 CCNCCC1=C(C=C(C(=C1)OC)Br)OC MCULE-3761220167 [0,2,0,0,0,0|0,0,0]=2 498 B16R1.29870 CCNCCC1=C(C=C(C(=C1)OC)Br)OC MCULE-5859649313 [0,2,0,0,0,0|0,0,0]=2 499 B14R2.134 COC1=CC2=C(C=C1)CCC(C2)N MCULE-4749360315 [1,0,0,1,0,0|1,0,0]=3 500 B14R2.134 COC1=CC2=C(C=C1)CCC(C2)N MCULE-7091059173 [1,0,0,1,0,0|1,0,0]=3 501 B14R2.134 COC1=CC2=C(C=C1)CC[C@@H](C2)N MCULE-7293013442 [1,0,0,1,0,0|1,0,0]=3 502 B14R2.134 COC1=CC2=C(C=C1)CC[C@@H](C2)N MCULE-7980293492 [1,0,0,1,0,0|1,0,0]=3 503 B14R2.134 COC1=CC2=C(C=C1)CC[C@@H](C2)N MCULE-8261042400 [1,0,0,1,0,0|1,0,0]=3 504 B14R2.134 COC1=CC2=C(C=C1)CC[C@@H](C2)N MCULE-9155519601 [1,0,0,1,0,0|1,0,0]=3 505 B14R2.134 COC1=CC2=C(C=C1)CC[C@H](C2)N MCULE-3314760619 [1,0,0,1,0,0|1,0,0]=3 506 B14R2.134 COC1=CC2=C(C=C1)CC[C@H](C2)N MCULE-6889612913 [1,0,0,1,0,0|1,0,0]=3 507 B14R2.134 COC1=CC2=C(C=C1)CC[C@H](C2)N MCULE-8349259153 [1,0,0,1,0,0|1,0,0]=3 508 B14R2.134 COC1=CC2=C(C=C1)CC[C@H](C2)N MCULE-8853747258 [1,0,0,1,0,0|1,0,0]=3 509 B14R2.134 COC1=CC2=C(C=C1)OCC(=O)C2 MCULE-3738201502 [1,0,0,1,0,0|1,0,1]=4 510 B14R2.134 COC1=CC2=C(C=C1)OCC(C2)N MCULE-2338047280 [1,0,0,1,0,0|0,0,0]=2 511 B14R2.134 COC1=CC2=C(C=C1)OCC(C2)N MCULE-9148697241 [1,0,0,1,0,0|0,0,0]=2 512 B14R2.134 COC1=CC2=C(C=C1)SCC(C2)N MCULE-3519601616 [1,0,0,1,0,0|0,1,0]=3 513 B14R2.134 COC1=CC2=C(C=C1)SCC(C2)N MCULE-8323412890 [1,0,0,1,0,0|0,1,0]=3 514 B14R2.134 COC1=CC=C2NCC(CC2=C1)C MCULE-2642287854 [1,0,0,1,0,0|2,0,0]=4 515 B14R2.134 N#CC1=CC=C2OCC(CC2=C1)N MCULE-9997986221 [1,0,0,1,0,0|2,0,0]=4 516 B14R2.1747 COC1=C2N=NNC2=C(C=C1)OC MCULE-1839499854 [1,0,0,1,0,0|2,0,0]=4 517 B14R2.1747 COC1=CC=C(C2=C1C=CN2)OC MCULE-5160083319 [1,0,0,1,0,0|0,0,2]=4 518 B14R2.1747 COC1=CC=C(C2=C1N=CN2)OC MCULE-6272098383 [1,0,0,1,0,0|1,0,1]=4 519 B14R2.1747 COC1=CC=C(C2=C1OCO2)OC MCULE-2710947476 [1,0,0,1,0,0|2,0,0]=4 520 B14R2.1754 COC1=C2CC(=O)C2=C(C=C1)OC MCULE-9912276576 [1,0,0,1,0,0|1,0,1]=4 521 B14R2.1801 COC1=CC2=C(C=C1)C(=NCC2)C MCULE-5094055330 [1,0,0,1,0,0|1,0,1]=4 522 B14R2.1801 COC1=CC2=C(C=C1)C(=O)NCC2 MCULE-5559832559 [1,0,0,1,0,0|2,0,0]=4 523 B14R2.1801 COC1=CC2=C(C=C1)C(NCC2)C MCULE-1912002365 [1,0,0,1,0,0|1,0,0]=3 524 B14R2.1801 COC1=CC2=C(C=C1)C(NCC2)C MCULE-8204517595 [1,0,0,1,0,0|1,0,0]=3 525 B14R2.1801 COC1=CC2=C(C=C1)N(CCC2)C MCULE-7095325018 [1,0,0,1,0,0|2,0,0]=4 526 B14R2.2400 COC1=CC2=C(C=C1)CCNCC2 MCULE-5753855838 [1,0,0,1,0,0|1,0,0]=3 527 B14R2.2400 COC1=CC2=C(C=C1)CCNCC2 MCULE-9239625499 [1,0,0,1,0,0|1,0,0]=3 528 B14R2.2400 COC1=CC2=C(C=C1)NCCCC2 MCULE-5958587009 [1,0,0,1,0,0|2,0,0]=4 529 B14R2.2400 COC1=CC2=C(C=C1)OCCNC2 MCULE-4214838521 [1,0,0,1,0,0|2,0,0]=4 530 B14R2.2400 COC1=CC2=C(C=C1)OCCNC2 MCULE-7948722476 [1,0,0,1,0,0|2,0,0]=4 531 B14R2.2400 COC1=CC=C2NCCCCC2=C1 MCULE-7564836803 [1,0,0,1,0,0|2,0,0]=4 532 B14R2.3519 COC1=CC(=C(C=C1)OC)C2CO2 MCULE-6162424893 [1,0,0,1,0,0|1,0,0]=3 533 B14R2.3519 COC1=CC=C(C(=C1)C2CC2)OC MCULE-3893937407 [1,0,0,1,0,0|1,0,0]=3 534 B14R2.82 COC1=CC2=C(C=C1CN)CCC2 MCULE-2016188607 [1,0,0,1,0,0|2,0,0]=4 535 B14R2.82 COC1=CC2=C(C=C1CN)OCO2 MCULE-6217705514 [1,0,0,1,0,0|1,0,0]=3 536 B14R2.82 COC1=CC2=C(C=C1OC)OCO2 MCULE-1271425349 [1,0,0,1,0,0|2,0,0]=4 537 B14R2.1128 COC1=C(C=C2CCCCC2=C1)C MCULE-6594000855 [1,0,0,1,0,0|2,0,0]=4 538 B14R2.1128 COC1=C(C=C2CCCNC2=C1)Br MCULE-9481792157 [1,0,0,1,0,0|2,0,0]=4 539 B14R2.1128 COC1=C(C=C2CCNCC2=C1)O MCULE-8464777412 [1,0,0,1,0,0|2,0,0]=4 540 B14R2.1128 COC1=C(C=C2OCCOC2=N1)Br MCULE-6396161828 [1,0,0,1,0,0|2,0,0]=4 541 B14R2.1128 COC1=CC2=C(C=C1Br)CCNC2 MCULE-3994127827 [1,0,0,1,0,0|1,0,0]=3 542 B14R2.1128 COC1=CC2=C(C=C1Br)OCCC2 MCULE-3512303997 [1,0,0,1,0,0|0,0,0]=2 543 B14R2.1128 COC1=CC2=C(C=C1N)CCCC2 MCULE-7182592756 [1,0,0,1,0,0|2,0,0]=4 544 B14R2.1128 COC1=NC2=C(C=C1Br)CCCC2 MCULE-8688344401 [1,0,0,1,0,0|2,0,0]=4 545 B14R2.1416 COC1=CC2=C(C=C1Br)C(=O)CC2 MCULE-6140567201 [1,0,0,1,0,0|2,0,0]=4 546 B14R2.1416 COC1=CC2=C(C=C1Br)C(=O)NC2 MCULE-1445853722 [1,0,0,1,0,0|2,0,0]=4 547 B14R2.1416 COC1=CC2=C(C=C1Br)C(CC2)N MCULE-8261943947 [1,0,0,1,0,0|2,0,0]=4 548 B14R2.1416 COC1=CC2=C(C=C1Br)C(CC2)N MCULE-8726239148 [1,0,0,1,0,0|2,0,0]=4 549 B14R2.2167 COC1=C(C=C2CCC(C2=C1)N)F MCULE-5017485380 [1,0,0,1,0,0|1,1,0]=4 550 B14R2.2167 COC1=C(C=C2CCC(C2=C1)N)F MCULE-5275444781 [1,0,0,1,0,0|1,1,0]=4 551 B14R2.2167 COC1=CC2=C(C=C1F)CC[C@@H]2N MCULE-1264794229 [1,0,0,1,0,0|1,1,0]=4 552 B14R2.2167 COC1=CC2=C(C=C1F)CC[C@H]2N MCULE-3471075299 [1,0,0,1,0,0|1,1,0]=4 553 B14R2.8239 NC1CCC2=C(C1)C=C(C(=C2)O)O MCULE-4791119312 [1,0,0,1,0,0|2,0,0]=4 554 B14R2.8239 NC1CCC2=C(C1)C=C(C(=C2)O)O MCULE-8685760404 [1,0,0,1,0,0|2,0,0]=4 555 B14R2.11806 COC1=CC(=C(C2=C1C=CN2)C)Br MCULE-8835117140 [1,0,0,1,0,0|0,0,2]=4 556 B14R2.28472 CC1=C(C=C2C(=O)NCCC2=C1)Br MCULE-6734616235 [1,0,0,1,0,0|2,0,0]=4 557 B14R2.28472 CC1NCCC2=C1C=C(C(=C2)O)O MCULE-1513555416 [1,0,0,1,0,0|2,0,0]=4 558 B14R2.28472 CC1NCCC2=C1C=C(C(=C2)O)O MCULE-8714416946 [1,0,0,1,0,0|2,0,0]=4 559 B14R2.28472 CC1NCCC2=CC(=C(C=C12)O)O MCULE-7106148662 [1,0,0,1,0,0|2,0,0]=4 560 B14R2.28472 C[C@@H]1NCCC2=C1C=C(C(=C2)O)O MCULE-1880597192 [1,0,0,1,0,0|2,0,0]=4 561 B14R2.28472 C[C@@H]1NCCC2=C1C=C(C(=C2)O)O MCULE-4299779848 [1,0,0,1,0,0|2,0,0]=4 562 B14R2.1197 COC1=CC2=C(C=C1C)CC(C2)N MCULE-4662250146 [1,0,0,1,0,0|1,0,0]=3 563 B14R2.1197 COC1=CC2=C(C=C1C)CC(C2)N MCULE-6394247818 [1,0,0,1,0,0|1,0,0]=3 564 B14R2.3994 COC1=C(C=C(C2=C1CCC2)C)Br MCULE-5231630602 [1,0,0,1,0,0|1,0,0]=3 565 B16R2.1579 COC1=CC2=C(C=C1CC(C)N)OCO2 MCULE-1458870644 [0,1,0,1,0,0|1,0,0]=3 566 B16R2.1579 COC1=CC2=C(C=C1CC(C)N)OCO2 MCULE-4480592267 [0,1,0,1,0,0|1,0,0]=3 567 B16R2.41767 COC1=CC(=C(C=C1C)OC)[C@@H]2C[C@H]2N MCULE-4708597898 [0,1,0,1,0,0|1,0,0]=3 568 B16R2.41767 COC1=CC(=C(C=C1C)OC)[C@@H]2C[C@H]2N MCULE-9432685554 [0,1,0,1,0,0|1,0,0]=3 569 B16R2.41767 COC1=CC(=C(C=C1C2CC2N)OC)C MCULE-7255993992 [0,1,0,1,0,0|1,0,0]=3 570 B16R2.41786 COC1=CC(=C(C=C1[C@@H]2CCN2)OC)Br MCULE-3286621749 [0,1,0,1,0,0|0,0,0]=2 571 B16R2.41786 COC1=CC(=C(C=C1[C@@H]2CCN2)OC)Br MCULE-6918490727 [0,1,0,1,0,0|0,0,0]=2 572 B16R2.41786 COC1=CC(=C(C=C1[C@H]2CCN2)OC)Br MCULE-1564032207 [0,1,0,1,0,0|0,0,0]=2 573 B16R2.41786 COC1=CC(=C(C=C1[C@H]2CCN2)OC)Br MCULE-6066478871 [0,1,0,1,0,0|0,0,0]=2 574 B16R2.191413 COC1=C2C(=CC2=C(C(=C1)Br)OC)CN MCULE-3674021091 [0,1,0,1,0,0|0,0,1]=3 575 B16R2.191413 COC1=C2C(=CC2=C(C(=C1)Br)OC)CN MCULE-8775192518 [0,1,0,1,0,0|0,0,1]=3 576 B16R2.191413 COC1=CC(=C(C2=C1[C@H](C2)CN)OC)Br MCULE-6249481284 [0,1,0,1,0,0|0,0,0]=2 577 B16R2.191413 COC1=CC(=C(C2=C1[C@H](C2)CN)OC)Br MCULE-8526933399 [0,1,0,1,0,0|0,0,0]=2 578 B16R2.1461 COC1=C(C=C2CC(CCC2=C1)N)OC MCULE-5621709920 [0,1,0,1,0,0|2,0,0]=4 579 B16R2.1461 COC1=CC2=C(C=C1OC)CC(CC2)N MCULE-3895161883 [0,1,0,1,0,0|2,0,0]=4 580 B16R2.1461 COC1=CC2=C(C=C1OC)CC(CC2)N MCULE-6853063647 [0,1,0,1,0,0|2,0,0]=4 581 B16R2.1935 COC1=CC2=C(C=C1OC)C(NCC2)C MCULE-5532125488 [0,1,0,1,0,0|2,0,0]=4 582 B16R2.1935 COC1=CC2=C(C=C1OC)C(NCC2)C MCULE-9434960460 [0,1,0,1,0,0|2,0,0]=4 583 B16R2.1935 COC1=CC2=C(C=C1OC)[C@@H](NCC2)C MCULE-2230319090 [0,1,0,1,0,0|2,0,0]=4 584 B16R2.1935 COC1=CC2=C(C=C1OC)[C@@H](NCC2)C MCULE-4199706131 [0,1,0,1,0,0|2,0,0]=4 585 B16R2.1935 COC1=CC2=C(C=C1OC)[C@H](NCC2)C MCULE-4544216229 [0,1,0,1,0,0|2,0,0]=4 586 B16R2.1935 COC1=CC2=C(C=C1OC)[C@H](NCC2)C MCULE-7536573036 [0,1,0,1,0,0|2,0,0]=4 587 B16R2.36189 COC1=C(C=C2CCNCCC2=C1)OC MCULE-6516645503 [0,1,0,1,0,0|2,0,0]=4 588 B16R2.36189 COC1=C(C=C2CCNCCC2=C1)OC MCULE-9900580657 [0,1,0,1,0,0|2,0,0]=4 589 B14R1.5133 COCC1=C(C=CC(=C1OC)Br)OC MCULE-8472581746 [0,0,0,0,1,1|2,0,0]=4 590 B14R1.14884 CNCC1=C(C=C(C=C1OC)Br)OC MCULE-3826974193 [0,0,0,0,1,1|2,0,0]=4