0 B15R1.1788 COC1=CC(=C(C=C1Br)OC)CC(=O)O MCULE-3402208621 [0,0,0,0,0,0|2,0,1]=3 1 B15R1.1788 COC1=CC(=C(C=C1Br)OC)CC(C)N MCULE-8949874251 [0,0,0,0,0,0|0,0,0]=0 2 B15R1.1788 COC1=CC(=C(C=C1Br)OC)C[C@H](C)N MCULE-2061862817 [0,0,0,0,0,0|0,0,0]=0 3 B15R1.1788 COC1=CC(=C(C=C1Br)OC)C[C@H](C)N MCULE-7618746407 [0,0,0,0,0,0|0,0,0]=0 4 B15R1.1788 COC1=CC(=C(C=C1C)OC)CC(C)N MCULE-7368986212 [0,0,0,0,0,0|1,0,0]=1 5 B15R1.1788 COC1=CC(=C(C=C1CC(C)N)OC)Br MCULE-4524297690 [0,0,0,0,0,0|0,0,0]=0 6 B15R1.1788 COC1=CC(=C(C=C1CC(C)N)OC)C MCULE-9310533628 [0,0,0,0,0,0|1,0,0]=1 7 B15R1.1788 COC1=CC(=C(C=C1CC(C)N)OC)Cl MCULE-4172194754 [0,0,0,0,0,0|0,1,0]=1 8 B15R1.1788 COC1=CC(=C(C=C1CC(C)N)OC)Cl MCULE-5043155137 [0,0,0,0,0,0|0,1,0]=1 9 B15R1.1788 COC1=CC(=C(C=C1CC(C)N)OC)I MCULE-4610591643 [0,0,0,0,0,0|0,1,0]=1 10 B15R1.1788 COC1=CC(=C(C=C1CN(C)C)OC)Br MCULE-2637006198 [0,0,0,0,0,0|2,0,0]=2 11 B15R1.1788 COC1=CC(=C(C=C1C[C@@H](C)N)OC)I MCULE-2324163847 [0,0,0,0,0,0|0,1,0]=1 12 B15R1.1788 COC1=CC(=C(C=C1C[C@@H](C)N)OC)I MCULE-9040804835 [0,0,0,0,0,0|0,1,0]=1 13 B15R1.1788 COC1=CC(=C(C=C1Cl)OC)NC(=S)N MCULE-4619324183 [0,0,0,0,0,0|2,1,1]=4 14 B15R1.1788 COC1=CC(=C(C=C1I)OC)CC(C)N MCULE-2915700352 [0,0,0,0,0,0|0,1,0]=1 15 B15R1.1788 COC1=CC(=C(C=C1I)OC)C[C@H](C)N MCULE-8571638302 [0,0,0,0,0,0|0,1,0]=1 16 B15R1.1788 COC1=CC(=C(C=C1I)OC)C[C@H](C)N MCULE-9127170836 [0,0,0,0,0,0|0,1,0]=1 17 B15R1.1788 COC1=CC(=C(C=C1NC(=O)C)OC)Br MCULE-7601948615 [0,0,0,0,0,0|2,0,1]=3 18 B15R1.1788 COC1=CC(=C(C=C1NC(=O)C)OC)Cl MCULE-7400909073 [0,0,0,0,0,0|2,1,1]=4 19 B14R1.881 COC1=C(C=C(C(=C1)NC(=O)C)C)Br MCULE-9314515461 [1,0,0,0,0,0|2,0,1]=4 20 B14R1.2295 COC1=C(C=C(C(=C1)Br)F)OC(C)C MCULE-1849202153 [1,0,0,0,0,0|3,0,0]=4 21 B14R1.2295 COC1=CC(=C(C=C1CC(=O)O)C)Br MCULE-5540209565 [1,0,0,0,0,0|2,0,1]=4 22 B14R1.2295 COC1=CC(=C(C=C1OC(C)C)Cl)Br MCULE-8945482570 [1,0,0,0,0,0|3,0,0]=4 23 B14R1.3723 C=C(Br)CC1=C(C=CC(=C1)OC)OC MCULE-7158111030 [1,0,0,0,0,0|1,0,2]=4 24 B14R1.3723 C=C(C)CC1=C(C=CC(=C1)OC)OC MCULE-8033917980 [1,0,0,0,0,0|1,0,1]=3 25 B14R1.3723 C=C(Cl)CC1=C(C=CC(=C1)OC)OC MCULE-6914197153 [1,0,0,0,0,0|1,0,2]=4 26 B14R1.3723 COC1=CC(=C(C=C1)OC)CC(=O)O MCULE-4793996064 [1,0,0,0,0,0|2,0,1]=4 27 B14R1.3723 COC1=CC(=C(C=C1)OC)CC(C)O MCULE-3669396538 [1,0,0,0,0,0|1,0,0]=2 28 B14R1.3723 COC1=CC(=C(C=C1)OC)NC(=N)N MCULE-5050446277 [1,0,0,0,0,0|2,0,1]=4 29 B14R1.3723 COC1=CC(=C(C=C1)OC)NC(=S)N MCULE-8364503555 [1,0,0,0,0,0|2,0,1]=4 30 B14R1.3723 COC1=CC(=C(C=C1)OC)NC(C)C MCULE-7065054056 [1,0,0,0,0,0|2,0,0]=3 31 B14R1.3723 COC1=CC=C(C(=C1)C=C(C)C)OC MCULE-3097561488 [1,0,0,0,0,0|1,0,2]=4 32 B14R1.3723 COC1=CC=C(C(=C1)CC(=O)C)OC MCULE-7807776301 [1,0,0,0,0,0|1,0,1]=3 33 B14R1.3723 COC1=CC=C(C(=C1)CC(=O)Cl)OC MCULE-5087772177 [1,0,0,0,0,0|2,0,1]=4 34 B14R1.3723 COC1=CC=C(C(=C1)CC(C)C)OC MCULE-2534250678 [1,0,0,0,0,0|1,0,0]=2 35 B14R1.3723 COC1=CC=C(C(=C1)CC(C)N)OC MCULE-7485706068 [1,0,0,0,0,0|0,0,0]=1 36 B14R1.3723 COC1=CC=C(C(=C1)NC(=N)N)OC MCULE-5764790764 [1,0,0,0,0,0|2,0,1]=4 37 B14R1.3723 COC1=CC=C(C(=C1)NC(=O)C)OC MCULE-2618773035 [1,0,0,0,0,0|2,0,1]=4 38 B14R1.3723 COC1=CC=C(C(=C1)SC(=O)C)OC MCULE-9834507525 [1,0,0,0,0,0|2,0,1]=4 39 B14R1.3723 COC1=CC=C(C(=C1)SC(C)C)OC MCULE-4976893676 [1,0,0,0,0,0|2,0,0]=3 40 B14R1.15069 CCOC1=C(C=C(C(=C1)C#N)Br)OC MCULE-6832865085 [1,0,0,0,0,0|3,0,0]=4 41 B14R1.15069 CCOC1=C(C=C(C(=C1)CN)Br)OC MCULE-5505762096 [1,0,0,0,0,0|3,0,0]=4 42 B14R1.15069 CCOC1=C(C=C(C(=C1)CN)Br)OC MCULE-7472561081 [1,0,0,0,0,0|3,0,0]=4 43 B14R1.15069 CCOC1=C(C=C(C(=C1)CO)Br)OC MCULE-6100750312 [1,0,0,0,0,0|3,0,0]=4 44 B14R1.15069 CCOC1=CC(=C(C=C1OC)Br)C=O MCULE-5603648857 [1,0,0,0,0,0|3,0,0]=4 45 B14R1.15069 COC1=CC(=C(C=C1CCN)OC)Br MCULE-2564990067 [1,0,0,0,0,0|0,0,0]=1 46 B14R1.15069 COC1=CC(=C(C=C1CCN)OC)Br MCULE-5143145588 [1,0,0,0,0,0|0,0,0]=1 47 B14R1.15069 COC1=CC(=C(C=C1CCN)OC)C MCULE-3746585615 [1,0,0,0,0,0|1,0,0]=2 48 B14R1.15069 COC1=CC(=C(C=C1CCN)OC)C MCULE-8385637743 [1,0,0,0,0,0|1,0,0]=2 49 B14R1.15069 COC1=CC(=C(C=C1CCN)OC)Cl MCULE-4776581009 [1,0,0,0,0,0|0,1,0]=2 50 B14R1.15069 COC1=CC(=C(C=C1CCN)OC)I MCULE-3264960845 [1,0,0,0,0,0|0,1,0]=2 51 B14R1.15069 COC1=CC(=C(C=C1CCN)OC)I MCULE-9190910638 [1,0,0,0,0,0|0,1,0]=2 52 B14R1.15069 COC1=CC(=C(C=C1Cl)OC)CCN MCULE-6470132248 [1,0,0,0,0,0|0,1,0]=2 53 B14R1.15069 COCC1=C(C=C(C(=C1)OC)Br)OC MCULE-6111099711 [1,0,0,0,0,0|1,0,0]=2 54 B16R1.20043 CCC1=C(C=C(C(=C1)OC)CC(C)N)OC MCULE-9779805994 [0,1,0,0,0,0|1,0,0]=2 55 B16R1.20043 CCC1=CC(=C(C=C1OC)CC(C)N)OC MCULE-4513775531 [0,1,0,0,0,0|1,0,0]=2 56 B16R1.20087 CCC(N)CC1=C(C=C(C(=C1)OC)C)OC MCULE-2536430507 [0,1,0,0,0,0|1,0,0]=2 57 B16R1.20087 CCC([NH3+])CC1=C(C=C(C(=C1)OC)C)OC MCULE-3150070526 [0,1,0,0,0,0|1,0,1]=3 58 B16R1.20087 CNC(C)CC1=CC(=C(C=C1OC)Br)OC MCULE-5691703828 [0,1,0,0,0,0|0,0,0]=1 59 B16R1.84460 COC1=CC(=C(C=C1[C@@H](N)C(F)F)OC)Br MCULE-5807592385 [0,1,0,0,0,0|2,0,0]=3 60 B16R1.84460 COC1=CC(=C(C=C1[C@@H](N)C(F)F)OC)Br MCULE-9866498492 [0,1,0,0,0,0|2,0,0]=3 61 B16R1.84460 COC1=CC(=C(C=C1[C@@H](N)[C@H](C)O)OC)Br MCULE-6426633998 [0,1,0,0,0,0|1,0,0]=2 62 B16R1.84460 COC1=CC(=C(C=C1[C@@H](N)[C@H](C)O)OC)Br MCULE-8785579293 [0,1,0,0,0,0|1,0,0]=2 63 B16R1.84460 COC1=CC(=C(C=C1[C@H](N)C(F)F)OC)Br MCULE-1832891935 [0,1,0,0,0,0|2,0,0]=3 64 B16R1.84460 COC1=CC(=C(C=C1[C@H](N)C(F)F)OC)Br MCULE-4765811586 [0,1,0,0,0,0|2,0,0]=3 65 B16R1.84460 COC1=CC(=C(C=C1[C@H](N)[C@@H](C)O)OC)Br MCULE-3612765359 [0,1,0,0,0,0|1,0,0]=2 66 B16R1.84460 COC1=CC(=C(C=C1[C@H](N)[C@@H](C)O)OC)Br MCULE-9133148323 [0,1,0,0,0,0|1,0,0]=2 67 B16R2.1579 COC1=CC2=C(C=C1CC(C)N)OCO2 MCULE-1458870644 [0,0,0,1,0,0|1,0,0]=2 68 B16R2.1579 COC1=CC2=C(C=C1CC(C)N)OCO2 MCULE-4480592267 [0,0,0,1,0,0|1,0,0]=2 69 B16R2.41767 COC1=CC(=C(C=C1C)OC)[C@@H]2C[C@H]2N MCULE-4708597898 [0,0,0,1,0,0|1,0,0]=2 70 B16R2.41767 COC1=CC(=C(C=C1C)OC)[C@@H]2C[C@H]2N MCULE-9432685554 [0,0,0,1,0,0|1,0,0]=2 71 B16R2.41767 COC1=CC(=C(C=C1C2CC2N)OC)C MCULE-7255993992 [0,0,0,1,0,0|1,0,0]=2 72 B14R1.2288 COC1=CC(=C(C=C1Br)OC)B(O)O MCULE-8801163935 [0,0,0,0,1,0|3,0,0]=4 73 B14R1.2288 COC1=CC(=C(C=C1Br)OC)C(F)F MCULE-6803232395 [0,0,0,0,1,0|2,0,0]=3 74 B14R1.2288 COC1=CC(=C(C=C1C(=O)C)OC)Br MCULE-6745453136 [0,0,0,0,1,0|1,0,1]=3 75 B14R1.2288 COC1=CC(=C(C=C1C(=O)C)OC)O MCULE-9224916887 [0,0,0,0,1,0|2,0,1]=4 76 B14R1.2288 COC1=CC(=C(C=C1C(=O)O)OC)Br MCULE-5924456592 [0,0,0,0,1,0|2,0,1]=4 77 B14R1.2288 COC1=CC(=C(C=C1N(=O)=O)OC)Br MCULE-5456887819 [0,0,0,0,1,0|3,0,0]=4 78 B14R1.2288 COC1=CC(=C(C=C1[C@@H](C)N)OC)Br MCULE-3312717737 [0,0,0,0,1,0|0,0,0]=1 79 B14R1.2288 COC1=CC(=C(C=C1[C@@H](C)N)OC)Br MCULE-6997566561 [0,0,0,0,1,0|0,0,0]=1 80 B14R1.2288 COC1=CC(=C(C=C1[C@H](C)N)OC)Br MCULE-2845785792 [0,0,0,0,1,0|0,0,0]=1 81 B14R1.2288 COC1=CC(=C(C=C1[C@H](C)N)OC)Br MCULE-2854349338 [0,0,0,0,1,0|0,0,0]=1 82 B13R1.52 C=C(C)CC1=CC(=C(C=C1)Br)OC MCULE-8153984668 [2,0,0,0,0,0|1,0,1]=4 83 B13R1.52 COC1=CC(=CC=C1Br)OC(C)C MCULE-8351324899 [2,0,0,0,0,0|2,0,0]=4 84 B13R1.52 COC1=CC(=CC=C1O)CC(C)N MCULE-4369992361 [2,0,0,0,0,0|1,0,0]=3 85 B13R1.52 COC1=CC(=CC=C1O)CC(C)N MCULE-4909629047 [2,0,0,0,0,0|1,0,0]=3 86 B13R1.876 CC1=CC(=C(C=C1C)CC(C)O)C MCULE-7950025435 [2,0,0,0,0,0|2,0,0]=4 87 B13R1.2900 CCOC1=CC(=C(C=C1F)Br)OC MCULE-6592834289 [2,0,0,0,0,0|2,0,0]=4 88 B13R1.2900 CNCC1=CC(=C(C=C1F)Br)OC MCULE-3412826338 [2,0,0,0,0,0|2,0,0]=4 89 B13R1.51 COC1=C(C=CC(=C1)F)CC(C)O MCULE-4804505614 [2,0,0,0,0,0|1,1,0]=4 90 B13R1.51 COC1=CC(=CC=C1CN(C)C)Br MCULE-7345411915 [2,0,0,0,0,0|2,0,0]=4 91 B13R1.51 COC1=CC(=CC=C1OC(C)C)Br MCULE-2637733191 [2,0,0,0,0,0|2,0,0]=4 92 B13R1.2899 CCOC1=CC(=C(C=C1OC)Br)Cl MCULE-6791696205 [2,0,0,0,0,0|2,0,0]=4 93 B13R1.2899 CCOC1=CC(=C(C=C1OC)Br)F MCULE-3351373030 [2,0,0,0,0,0|2,0,0]=4 94 B13R1.3089 C=C(C)CC1=CC(=CC=C1OC)C MCULE-2692021969 [2,0,0,0,0,0|1,0,1]=4 95 B13R1.3089 COC1=C(C=C(C=C1)C)CC(C)O MCULE-9795865840 [2,0,0,0,0,0|1,0,0]=3 96 B13R1.3089 COC1=C(C=C(C=C1)Cl)CC(C)O MCULE-2705636097 [2,0,0,0,0,0|2,0,0]=4 97 B13R1.3089 COC1=C(C=C(C=C1)F)CC(C)O MCULE-1434354939 [2,0,0,0,0,0|2,0,0]=4 98 B13R1.3089 COC1=CC=C(C=C1SC(C)C)C MCULE-5485758088 [2,0,0,0,0,0|2,0,0]=4 99 B13R1.355 C=CCC1=C(C=CC(=C1)OC)OC MCULE-8703765775 [2,0,0,0,0,0|0,0,2]=4 100 B13R1.355 CCCC1=C(C=CC(=C1)C=O)OC MCULE-6174001107 [2,0,0,0,0,0|2,0,0]=4 101 B13R1.355 CCCC1=C(C=CC(=C1)OC)OC MCULE-7206582937 [2,0,0,0,0,0|0,0,0]=2 102 B13R1.355 CCNC1=CC(=CC=C1OC)OC MCULE-1720100040 [2,0,0,0,0,0|1,0,0]=3 103 B13R1.355 CCOC1=C(C=CC(=C1)SC)OC MCULE-7304242800 [2,0,0,0,0,0|1,1,0]=4 104 B13R1.355 CCSC1=C(C=CC(=C1)OC)OC MCULE-3388960638 [2,0,0,0,0,0|1,0,0]=3 105 B13R1.355 CNCC1=C(C=CC(=C1)OC)OC MCULE-1234805586 [2,0,0,0,0,0|1,0,0]=3 106 B13R1.355 CNCC1=C(C=CC(=C1)OC)OC MCULE-8655506677 [2,0,0,0,0,0|1,0,0]=3 107 B13R1.355 COC1=CC(=C(C=C1)OC)CC#N MCULE-9308518547 [2,0,0,0,0,0|0,0,2]=4 108 B13R1.355 COC1=CC(=C(C=C1)OC)CCN MCULE-2490474992 [2,0,0,0,0,0|0,0,0]=2 109 B13R1.355 COC1=CC(=C(C=C1)OC)CCN MCULE-3905051761 [2,0,0,0,0,0|0,0,0]=2 110 B13R1.355 COC1=CC(=C(C=C1)OC)CCO MCULE-4156126411 [2,0,0,0,0,0|1,0,0]=3 111 B13R1.355 COC1=CC(=C(C=C1)OC)CCS MCULE-8628711744 [2,0,0,0,0,0|1,0,0]=3 112 B13R1.355 COC1=CC(=C(C=C1)OC)CON MCULE-9465073647 [2,0,0,0,0,0|1,0,0]=3 113 B13R1.355 COC1=CC=C(C(=C1)CC=O)OC MCULE-5388586394 [2,0,0,0,0,0|1,0,1]=4 114 B13R1.355 COC1=CC=C(C(=C1)CNN)OC MCULE-3780793000 [2,0,0,0,0,0|1,0,0]=3 115 B13R1.355 COC1=CC=C(C(=C1)CNN)OC MCULE-7219918891 [2,0,0,0,0,0|1,0,0]=3 116 B13R1.355 COC1=CC=C(C(=C1)CON)OC MCULE-1417795567 [2,0,0,0,0,0|1,0,0]=3 117 B13R1.2200 C#CC1=C(C=C(C(=C1)OC)Br)OC MCULE-7185033424 [2,0,0,0,0,0|0,0,2]=4 118 B13R1.2200 C=CC1=C(C=C(C(=C1)OC)Br)OC MCULE-2640611583 [2,0,0,0,0,0|0,0,2]=4 119 B13R1.2200 COC1=CC(=C(C=C1Br)OC)CN MCULE-7899113707 [2,0,0,0,0,0|0,0,0]=2 120 B13R1.2200 COC1=CC(=C(C=C1Br)OC)OC MCULE-9458677934 [2,0,0,0,0,0|1,0,0]=3 121 B13R1.2200 COC1=CC(=C(C=C1C)OC)CO MCULE-1335230229 [2,0,0,0,0,0|2,0,0]=4 122 B13R1.2200 COC1=CC(=C(C=C1C)OC)SC MCULE-3601456664 [2,0,0,0,0,0|2,0,0]=4 123 B13R1.2200 COC1=CC(=C(C=C1C=O)OC)Br MCULE-5373508134 [2,0,0,0,0,0|1,0,1]=4 124 B13R1.2200 COC1=CC(=C(C=C1CCl)OC)Br MCULE-8584195968 [2,0,0,0,0,0|1,0,0]=3 125 B13R1.2200 COC1=CC(=C(C=C1CN)OC)Br MCULE-5611358548 [2,0,0,0,0,0|0,0,0]=2 126 B13R1.2200 COC1=CC(=C(C=C1CO)OC)Br MCULE-8448430798 [2,0,0,0,0,0|1,0,0]=3 127 B13R1.2200 COC1=CC(=C(C=C1Cl)OC)CCl MCULE-5194476339 [2,0,0,0,0,0|1,1,0]=4 128 B13R1.2200 COC1=CC(=C(C=C1NN)OC)Cl MCULE-3723808126 [2,0,0,0,0,0|1,1,0]=4 129 B13R1.2200 COC1=CC(=C(C=C1NN)OC)Cl MCULE-6176194377 [2,0,0,0,0,0|1,1,0]=4 130 B13R1.2200 COC1=CC(=C(C=C1O)OC)OC MCULE-6263442233 [2,0,0,0,0,0|2,0,0]=4 131 B13R1.2200 COC1=CC(=C(C=C1OC)OC)N MCULE-9118703617 [2,0,0,0,0,0|2,0,0]=4 132 B13R1.2200 COC1=NC(=C(C=C1Br)OC)OC MCULE-8792405684 [2,0,0,0,0,0|2,0,0]=4 133 B15R1.1787 COC(=O)CC1=CC(=C(C=C1OC)Br)C MCULE-3127230826 [1,1,0,0,0,0|1,0,1]=4 134 B15R1.1873 COC1=CC(=C(C=C1)OC)C(O)C(C)N MCULE-1220066468 [1,1,0,0,0,0|0,0,0]=2 135 B15R1.1873 COC1=CC(=C(C=C1)OC)C(O)C(C)N MCULE-8719716451 [1,1,0,0,0,0|0,0,0]=2 136 B15R1.1873 COC1=CC=C(C(=C1)C(=O)C(C)C)OC MCULE-7185982436 [1,1,0,0,0,0|1,0,1]=4 137 B15R1.1873 COC1=CC=C(C(=C1)C(=O)C(C)Cl)OC MCULE-1812693096 [1,1,0,0,0,0|1,0,1]=4 138 B15R1.1873 COC1=CC=C(C(=C1)C(O)C(C)C)OC MCULE-4536705363 [1,1,0,0,0,0|1,0,0]=3 139 B15R1.1873 COC1=CC=C(C(=C1)[C@@H](N)C(F)F)OC MCULE-1227105081 [1,1,0,0,0,0|2,0,0]=4 140 B15R1.1873 COC1=CC=C(C(=C1)[C@@H](N)C(F)F)OC MCULE-7287295906 [1,1,0,0,0,0|2,0,0]=4 141 B15R1.1873 COC1=CC=C(C(=C1)[C@@H](N)[C@H](C)O)OC MCULE-2176541977 [1,1,0,0,0,0|1,0,0]=3 142 B15R1.1873 COC1=CC=C(C(=C1)[C@@H](N)[C@H](C)O)OC MCULE-3263218307 [1,1,0,0,0,0|1,0,0]=3 143 B15R1.1873 COC1=CC=C(C(=C1)[C@H](N)C(F)F)OC MCULE-1546145700 [1,1,0,0,0,0|2,0,0]=4 144 B15R1.1873 COC1=CC=C(C(=C1)[C@H](N)C(F)F)OC MCULE-4182681352 [1,1,0,0,0,0|2,0,0]=4 145 B15R1.1873 COC1=CC=C(C(=C1)[C@H](N)[C@@H](C)O)OC MCULE-8427440881 [1,1,0,0,0,0|1,0,0]=3 146 B15R1.1873 COC1=CC=C(C(=C1)[C@H](N)[C@@H](C)O)OC MCULE-9060207310 [1,1,0,0,0,0|1,0,0]=3 147 B15R1.1910 CCC(O)CC1=CC(=CC=C1OC)OC MCULE-1956514087 [1,1,0,0,0,0|1,0,0]=3 148 B15R1.1910 CNC(C)CC1=CC(=CC=C1OC)OC MCULE-8225348691 [1,1,0,0,0,0|0,0,0]=2 149 B15R1.1910 COC1=CC=C(C(=C1)CC(=O)NN)OC MCULE-8288652331 [1,1,0,0,0,0|1,0,1]=4 150 B15R1.4599 COC1=CC(=C(C=C1)OC)CC(C)(C)O MCULE-2009918583 [1,1,0,0,0,0|1,0,0]=3 151 B15R1.4599 COC1=CC=C(C(=C1)SC(C)(C)C)OC MCULE-8430473050 [1,1,0,0,0,0|2,0,0]=4 152 B15R1.1791 C=C[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-7349640911 [1,1,0,0,0,0|0,0,2]=4 153 B15R1.1791 C=C[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-7624368047 [1,1,0,0,0,0|0,0,2]=4 154 B15R1.1791 C=C[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-6436450915 [1,1,0,0,0,0|0,0,2]=4 155 B15R1.1791 C=C[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-6723134688 [1,1,0,0,0,0|0,0,2]=4 156 B15R1.1791 CC[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-5416054390 [1,1,0,0,0,0|0,0,0]=2 157 B15R1.1791 CC[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-5909603367 [1,1,0,0,0,0|0,0,0]=2 158 B15R1.1791 CC[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-1899945888 [1,1,0,0,0,0|0,0,0]=2 159 B15R1.1791 CC[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-5742498494 [1,1,0,0,0,0|0,0,0]=2 160 B15R1.1791 COC(=O)C1=CC(=C(C=C1OC)Br)OC MCULE-7592372580 [1,1,0,0,0,0|1,0,1]=4 161 B15R1.1791 COC1=CC(=C(C=C1Br)OC)C(=O)CN MCULE-1007715529 [1,1,0,0,0,0|0,0,1]=3 162 B15R1.1791 COC1=CC(=C(C=C1Br)OC)C(=O)CN MCULE-5256816630 [1,1,0,0,0,0|0,0,1]=3 163 B15R1.1791 COC1=CC(=C(C=C1C(O)CN)OC)Br MCULE-6179584394 [1,1,0,0,0,0|0,0,0]=2 164 B15R1.1791 COC1=CC(=C(C=C1C(O)CN)OC)Br MCULE-9649748205 [1,1,0,0,0,0|0,0,0]=2 165 B15R1.1791 COC1=CC(=C(C=C1[C@@H](N)CF)OC)Br MCULE-1903414712 [1,1,0,0,0,0|1,0,0]=3 166 B15R1.1791 COC1=CC(=C(C=C1[C@@H](N)CF)OC)Br MCULE-2640773525 [1,1,0,0,0,0|1,0,0]=3 167 B15R1.1791 COC1=CC(=C(C=C1[C@@H](N)CN)OC)Br MCULE-1360917580 [1,1,0,0,0,0|0,0,0]=2 168 B15R1.1791 COC1=CC(=C(C=C1[C@@H](N)CN)OC)Br MCULE-1581256966 [1,1,0,0,0,0|0,0,0]=2 169 B15R1.1791 COC1=CC(=C(C=C1[C@@H](N)CO)OC)Br MCULE-1288459691 [1,1,0,0,0,0|1,0,0]=3 170 B15R1.1791 COC1=CC(=C(C=C1[C@@H](N)CO)OC)Br MCULE-4592336751 [1,1,0,0,0,0|1,0,0]=3 171 B15R1.1791 COC1=CC(=C(C=C1[C@H](N)CF)OC)Br MCULE-2802225833 [1,1,0,0,0,0|1,0,0]=3 172 B15R1.1791 COC1=CC(=C(C=C1[C@H](N)CF)OC)Br MCULE-7569436955 [1,1,0,0,0,0|1,0,0]=3 173 B15R1.1791 COC1=CC(=C(C=C1[C@H](N)CN)OC)Br MCULE-1396275218 [1,1,0,0,0,0|0,0,0]=2 174 B15R1.1791 COC1=CC(=C(C=C1[C@H](N)CN)OC)Br MCULE-9395828789 [1,1,0,0,0,0|0,0,0]=2 175 B15R1.1791 COC1=CC(=C(C=C1[C@H](N)CO)OC)Br MCULE-1785981088 [1,1,0,0,0,0|1,0,0]=3 176 B15R1.1791 COC1=CC(=C(C=C1[C@H](N)CO)OC)Br MCULE-3000986746 [1,1,0,0,0,0|1,0,0]=3 177 B15R1.27356 CCC1=C(C=C(C(=C1)OC)CCN)OC MCULE-8397636477 [1,1,0,0,0,0|1,0,0]=3 178 B15R1.27356 CCC1=C(C=C(C(=C1)OC)CCN)OC MCULE-9333092304 [1,1,0,0,0,0|1,0,0]=3 179 B15R1.27356 CCCC1=C(C=C(C(=C1)OC)C=O)OC MCULE-3456356235 [1,1,0,0,0,0|1,0,0]=3 180 B15R1.27356 CCOC1=C(C=C(C(=C1)OC)C=O)OC MCULE-6978308055 [1,1,0,0,0,0|2,0,0]=4 181 B15R1.27356 CNCC1=CC(=C(C=C1OC)OC)OC MCULE-4965934677 [1,1,0,0,0,0|2,0,0]=4 182 B15R1.27356 COC1=CC(=C(C=C1CCN)OC)OC MCULE-8545025009 [1,1,0,0,0,0|1,0,0]=3 183 B15R1.27356 COC1=CC(=C(C=C1CCN)OC)SC MCULE-4323505130 [1,1,0,0,0,0|1,0,0]=3 184 B15R1.27356 COC1=CC(=C(C=C1OC)OC)CCN MCULE-8546824500 [1,1,0,0,0,0|1,0,0]=3 185 B15R1.27356 COC1=CC(=C(C=C1SC)OC)CCN MCULE-4132235197 [1,1,0,0,0,0|1,0,0]=3 186 B15R1.27356 COCC1=C(C=C(C(=C1)OC)CO)OC MCULE-7737666937 [1,1,0,0,0,0|2,0,0]=4 187 B15R1.27356 N(C)CC1=CC(=C(C=C1OC)OC)OC MCULE-3087017772 [1,1,0,0,0,0|2,0,0]=4 188 B15R1.1796 COC1=CC(=C(C=C1Br)OC)S(=O)(=O)N MCULE-6090668159 [0,1,0,0,1,0|2,0,0]=4 189 B15R1.1828 COC1=CC(=C(C=C1[C@@H](C)N)OC)OC MCULE-5948499762 [0,1,0,0,1,0|1,0,0]=3 190 B15R1.1828 COC1=CC(=C(C=C1[C@@H](C)N)OC)OC MCULE-7216021208 [0,1,0,0,1,0|1,0,0]=3 191 B15R1.1828 COC1=CC(=C(C=C1[C@H](C)N)OC)OC MCULE-8155634797 [0,1,0,0,1,0|1,0,0]=3 192 B15R1.1828 COC1=CC(=C(C=C1[C@H](C)N)OC)OC MCULE-8801620967 [0,1,0,0,1,0|1,0,0]=3 193 B17R1.28784 C=C(C)C[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-5873787876 [0,1,0,0,0,1|1,0,1]=4 194 B17R1.28784 C=C(C)C[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-9258468810 [0,1,0,0,0,1|1,0,1]=4 195 B17R1.28784 C=C(C)C[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-3790215355 [0,1,0,0,0,1|1,0,1]=4 196 B17R1.28784 C=C(C)C[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-9424209896 [0,1,0,0,0,1|1,0,1]=4 197 B17R1.28784 COC1=CC(=C(C=C1[C@@H](N)CC(C)C)OC)Br MCULE-1354452683 [0,1,0,0,0,1|1,0,0]=3 198 B17R1.28784 COC1=CC(=C(C=C1[C@@H](N)CC(C)C)OC)Br MCULE-5822024020 [0,1,0,0,0,1|1,0,0]=3 199 B17R1.28784 COC1=CC(=C(C=C1[C@@H](N)CC(F)F)OC)Br MCULE-4582980308 [0,1,0,0,0,1|2,0,0]=4 200 B17R1.28784 COC1=CC(=C(C=C1[C@@H](N)CC(F)F)OC)Br MCULE-8791021689 [0,1,0,0,0,1|2,0,0]=4 201 B17R1.28784 COC1=CC(=C(C=C1[C@H](N)CC(C)C)OC)Br MCULE-5236379043 [0,1,0,0,0,1|1,0,0]=3 202 B17R1.28784 COC1=CC(=C(C=C1[C@H](N)CC(C)C)OC)Br MCULE-7608952414 [0,1,0,0,0,1|1,0,0]=3 203 B17R1.28784 COC1=CC(=C(C=C1[C@H](N)CC(F)F)OC)Br MCULE-1998599232 [0,1,0,0,0,1|2,0,0]=4 204 B17R1.28784 COC1=CC(=C(C=C1[C@H](N)CC(F)F)OC)Br MCULE-2089199465 [0,1,0,0,0,1|2,0,0]=4 205 B17R1.164004 COC1=CC(=C(C=C1CNC(C)C)OC)OC MCULE-1781209749 [0,1,0,0,0,1|2,0,0]=4 206 B17R1.164004 COC1=CC(=C(C=C1CNC(C)C)OC)OC MCULE-6687986916 [0,1,0,0,0,1|2,0,0]=4 207 B17R1.164004 COC1=CC(=C(C=C1CNC(C)C)OC)OC MCULE-7519152504 [0,1,0,0,0,1|2,0,0]=4 208 B17R1.164004 COC1=CC(=C(C=C1CNC(C)C)OC)OC MCULE-9508791833 [0,1,0,0,0,1|2,0,0]=4 209 B17R1.164004 COC1=CC(=C(C=C1OC)OC)CCC(C)N MCULE-8505566189 [0,1,0,0,0,1|1,0,0]=3 210 B17R1.164004 COC1=CC(=C(C=C1OC)OC)CCC(C)[NH3+] MCULE-2707809180 [0,1,0,0,0,1|1,0,1]=4 211 B17R1.164004 COC1=CC(=C(C=C1OC)OC)CC[C@H](C)N MCULE-1463313547 [0,1,0,0,0,1|1,0,0]=3 212 B17R1.164004 COC1=CC(=C(C=C1OC)OC)CC[C@H](C)N MCULE-3693294698 [0,1,0,0,0,1|1,0,0]=3 213 B17R1.28752 COC1=CC(=C(C=C1CC(O)CO)OC)OC MCULE-2374623191 [0,2,0,0,0,0|2,0,0]=4 214 B17R1.38903 CCCC1=CC(=C(C=C1OC)CC(C)N)OC MCULE-5578617354 [0,2,0,0,0,0|1,0,0]=3 215 B17R1.38903 CCCC1=CC(=C(C=C1OC)CC(C)N)OC MCULE-6310657989 [0,2,0,0,0,0|1,0,0]=3 216 B17R1.38903 CCSC1=CC(=C(C=C1OC)CC(C)N)OC MCULE-5108797534 [0,2,0,0,0,0|1,0,0]=3 217 B17R1.164164 COC1=CC(=C(C=C1[C@@H](N)[C@H](C)O)OC)OC MCULE-7793219750 [0,2,0,0,0,0|2,0,0]=4 218 B17R1.164164 COC1=CC(=C(C=C1[C@@H](N)[C@H](C)O)OC)OC MCULE-9972538653 [0,2,0,0,0,0|2,0,0]=4 219 B17R1.164164 COC1=CC(=C(C=C1[C@H](N)[C@@H](C)O)OC)OC MCULE-4779503569 [0,2,0,0,0,0|2,0,0]=4 220 B17R1.164164 COC1=CC(=C(C=C1[C@H](N)[C@@H](C)O)OC)OC MCULE-9516631861 [0,2,0,0,0,0|2,0,0]=4 221 B17R1.163915 COC1=CC(=C(C=C1C(O)C(F)(F)F)OC)Br MCULE-6248686023 [0,2,0,0,0,0|2,0,0]=4 222 B17R1.163915 COC1=CC(=C(C=C1[C@@H](N)C(C)(C)C)OC)Br MCULE-1688415387 [0,2,0,0,0,0|1,0,0]=3 223 B17R1.163915 COC1=CC(=C(C=C1[C@@H](N)C(C)(C)C)OC)Br MCULE-4690205843 [0,2,0,0,0,0|1,0,0]=3 224 B17R1.163915 COC1=CC(=C(C=C1[C@@H](N)C(F)(F)F)OC)Br MCULE-4845825759 [0,2,0,0,0,0|2,0,0]=4 225 B17R1.163915 COC1=CC(=C(C=C1[C@@H](N)C(F)(F)F)OC)Br MCULE-9028866900 [0,2,0,0,0,0|2,0,0]=4 226 B17R1.163915 COC1=CC(=C(C=C1[C@H](N)C(C)(C)C)OC)Br MCULE-4543566667 [0,2,0,0,0,0|1,0,0]=3 227 B17R1.163915 COC1=CC(=C(C=C1[C@H](N)C(C)(C)C)OC)Br MCULE-6400930769 [0,2,0,0,0,0|1,0,0]=3 228 B17R1.163915 COC1=CC(=C(C=C1[C@H](N)C(F)(F)F)OC)Br MCULE-6053232033 [0,2,0,0,0,0|2,0,0]=4 229 B17R1.163915 COC1=CC(=C(C=C1[C@H](N)C(F)(F)F)OC)Br MCULE-8890121984 [0,2,0,0,0,0|2,0,0]=4 230 B17R1.28819 CCC(C)[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-7304871702 [0,2,0,0,0,0|1,0,0]=3 231 B17R1.28819 CCC(C)[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-9454284045 [0,2,0,0,0,0|1,0,0]=3 232 B17R1.28819 CCC(C)[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-3719574943 [0,2,0,0,0,0|1,0,0]=3 233 B17R1.28819 CCC(C)[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-5487098984 [0,2,0,0,0,0|1,0,0]=3 234 B17R1.28819 CC[C@@H](O)[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-5035220535 [0,2,0,0,0,0|1,0,0]=3 235 B17R1.28819 CC[C@@H](O)[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-5594005717 [0,2,0,0,0,0|1,0,0]=3 236 B17R1.28819 CC[C@H](O)[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-4254153271 [0,2,0,0,0,0|1,0,0]=3 237 B17R1.28819 CC[C@H](O)[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-8000589452 [0,2,0,0,0,0|1,0,0]=3 238 B17R1.28819 COC(=O)[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-2036717596 [0,2,0,0,0,0|1,0,1]=4 239 B17R1.28819 COC(=O)[C@@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-6203691669 [0,2,0,0,0,0|1,0,1]=4 240 B17R1.28819 COC(=O)[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-2445043283 [0,2,0,0,0,0|1,0,1]=4 241 B17R1.28819 COC(=O)[C@H](N)C1=CC(=C(C=C1OC)Br)OC MCULE-4483429257 [0,2,0,0,0,0|1,0,1]=4 242 B15R2.1824 COC1=CC2=C(C=C1Br)CCN(C2)C MCULE-3105840027 [1,0,0,1,0,0|2,0,0]=4 243 B15R2.2880 COC1=CC2=C(C=C1)CCCC(C2)N MCULE-9531940734 [1,0,0,1,0,0|1,0,0]=3 244 B15R2.3137 COC1=CC=C2OC=C(C2=C1)C(C)N MCULE-4493101499 [1,0,0,1,0,0|0,0,2]=4 245 B15R2.3137 COC1=CC=C2OC=C(C2=C1)C(C)N MCULE-5930149110 [1,0,0,1,0,0|0,0,2]=4 246 B15R2.5259 COC1=CC=C(C(=C1)C2CC2N)OC MCULE-8726103724 [1,0,0,1,0,0|0,0,0]=2 247 B15R2.2039 COC1=CC2=C(C=C1Br)C(=O)CCC2 MCULE-3444070711 [1,0,0,1,0,0|2,0,0]=4 248 B15R2.2039 COC1=CC2=C(C=C1Br)C(CCC2)N MCULE-6037888094 [1,0,0,1,0,0|2,0,0]=4 249 B15R2.2039 COC1=CC2=C(C=C1Br)[C@@H](CCC2)N MCULE-7675239569 [1,0,0,1,0,0|2,0,0]=4 250 B15R2.2215 COC1=CC2=C(C=C1CCN)CCC2 MCULE-8133742863 [1,0,0,1,0,0|2,0,0]=4 251 B15R2.2393 COC1=C(C=C2OCCC(=O)C2=C1)Br MCULE-8932351985 [0,0,0,1,1,0|1,0,1]=4 252 B15R2.2393 COC1=C(C=C2OCCC(C2=C1)N)Br MCULE-9717787112 [0,0,0,1,1,0|0,0,0]=2 253 B15R2.2393 COC1=CC2=C(C=C1Br)CCCC2N MCULE-8276501489 [0,0,0,1,1,0|1,0,0]=3 254 B15R2.2393 COC1=CC2=C(C=C1Br)OCC[C@@H]2N MCULE-3027411103 [0,0,0,1,1,0|0,0,0]=2 255 B15R2.2393 COC1=CC2=C(C=C1Br)OCC[C@H]2N MCULE-5165705633 [0,0,0,1,1,0|0,0,0]=2 256 B15R2.2393 COC1=CC2=C(C=C1C)CCCC2N MCULE-4156156984 [0,0,0,1,1,0|2,0,0]=4 257 B15R2.2393 COC1=CC2=C(C=C1C)CCC[C@@H]2N MCULE-2895175127 [0,0,0,1,1,0|2,0,0]=4 258 B15R2.2393 COC1=CC2=C(C=C1C)CCC[C@H]2N MCULE-8150790513 [0,0,0,1,1,0|2,0,0]=4 259 B15R2.2393 COC1=CC2=C(C=C1O)CCNC2C MCULE-5695452020 [0,0,0,1,1,0|2,0,0]=4 260 B15R2.2393 COC1=CC2=C(C=C1O)CCN[C@H]2C MCULE-6177601062 [0,0,0,1,1,0|2,0,0]=4 261 B17R2.427790 COC1=CC(=C(C=C1[C@@H](N)C2CC2)OC)Br MCULE-2342319179 [0,1,0,1,0,0|1,0,0]=3 262 B17R2.427790 COC1=CC(=C(C=C1[C@@H](N)C2CC2)OC)Br MCULE-7354912427 [0,1,0,1,0,0|1,0,0]=3 263 B17R2.427790 COC1=CC(=C(C=C1[C@H](N)C2CC2)OC)Br MCULE-1904962826 [0,1,0,1,0,0|1,0,0]=3 264 B17R2.427790 COC1=CC(=C(C=C1[C@H](N)C2CC2)OC)Br MCULE-4019308303 [0,1,0,1,0,0|1,0,0]=3 265 B13R1.651 COC1=CC(=C(C=C1I)O)C(C)C MCULE-4660463769 [1,0,0,0,1,0|1,1,0]=4 266 B13R1.2398 COC1=C(C=C(C(=C1)Br)C)C(=O)C MCULE-4054532590 [1,0,0,0,1,0|1,0,1]=4 267 B13R1.2430 C=C(C)C1=CC(=CC=C1OC)OC MCULE-6014666240 [1,0,0,0,1,0|1,0,1]=4 268 B13R1.2430 COC1=CC(=C(C=C1)OC)C(=O)C MCULE-3800952212 [1,0,0,0,1,0|1,0,1]=4 269 B13R1.2430 COC1=CC(=C(C=C1)OC)C(=O)N MCULE-1313901912 [1,0,0,0,1,0|1,0,1]=4 270 B13R1.2430 COC1=CC(=C(C=C1)OC)C(=S)N MCULE-3139963892 [1,0,0,0,1,0|1,0,1]=4 271 B13R1.2430 COC1=CC(=C(C=C1)OC)C(C)N MCULE-4538889226 [1,0,0,0,1,0|0,0,0]=2 272 B13R1.2430 COC1=CC(=C(C=C1)OC)C(C)N MCULE-6490967435 [1,0,0,0,1,0|0,0,0]=2 273 B13R1.2430 COC1=CC(=C(C=C1)OC)[C@@H](C)N MCULE-6669243804 [1,0,0,0,1,0|0,0,0]=2 274 B13R1.2430 COC1=CC(=C(C=C1)OC)[C@H](C)N MCULE-3325482651 [1,0,0,0,1,0|0,0,0]=2 275 B13R1.2430 COC1=CC=C(C(=C1)C(C)C)OC MCULE-4851903085 [1,0,0,0,1,0|1,0,0]=3 276 B13R1.2430 COC1=CC=C(C(=C1)C(C)O)OC MCULE-4758187969 [1,0,0,0,1,0|1,0,0]=3 277 B13R1.2430 COC1=CC=C(C(=C1)C(F)F)OC MCULE-4552506709 [1,0,0,0,1,0|2,0,0]=4 278 B13R1.2430 COC1=CC=C(C(=C1)[C@@H](C)N)OC MCULE-8377874993 [1,0,0,0,1,0|0,0,0]=2 279 B13R1.2430 COC1=CC=C(C(=C1)[C@H](C)N)OC MCULE-1545718310 [1,0,0,0,1,0|0,0,0]=2 280 B13R1.2430 COC1=CC=C(C=C1[C@@H](C)N)C#N MCULE-2989599226 [1,0,0,0,1,0|2,0,0]=4 281 B13R1.2430 COC1=CC=C(C=C1[C@H](C)N)C#N MCULE-3421064925 [1,0,0,0,1,0|2,0,0]=4 282 B13R1.3023 COC1=C(C=C(S1)SC)CC(C)N MCULE-6337072611 [1,0,0,0,1,0|1,1,0]=4 283 B13R1.3023 COC1=C(C=C(S1)SC)CC(C)N MCULE-9852550118 [1,0,0,0,1,0|1,1,0]=4 284 B15R1.1803 COC1=C(C=C(C(=C1)CNC(C)C)F)Br MCULE-8335365075 [1,0,0,0,0,1|2,0,0]=4 285 B15R1.12830 COC1=C(C=C(C(=C1)Br)F)OCC(C)C MCULE-7255863390 [1,0,0,0,0,1|2,0,0]=4 286 B15R1.1882 C=C(C)CCC1=C(C=CC(=C1)OC)OC MCULE-5179715208 [1,0,0,0,0,1|1,0,1]=4 287 B15R1.1882 COC1=C(C=C(C=C1)SC)OCC(C)C MCULE-3688626604 [1,0,0,0,0,1|1,1,0]=4 288 B15R1.1882 COC1=CC(=C(C=C1)OC)CNC(C)C MCULE-1439377595 [1,0,0,0,0,1|1,0,0]=3 289 B15R1.1882 COC1=CC=C(C(=C1)C#CC(C)O)OC MCULE-7747523138 [1,0,0,0,0,1|1,0,1]=4 290 B15R1.1882 COC1=CC=C(C(=C1)CNC(C)C)OC MCULE-6142483783 [1,0,0,0,0,1|1,0,0]=3 291 B15R1.405 COC1=CC(=CC(=C1CN(C)C)OC)Br MCULE-1832736050 [0,0,0,0,1,1|2,0,0]=4