0 B11R1.77 C=C(C)C[C@@H](N)C1=CC=CN1 MCULE-3977725638 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.77 C=C(C)C[C@@H](N)C1=CC=CN1 MCULE-8415770095 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.77 C=C(C)C[C@@H](N)C1=CC=CO1 MCULE-2477733116 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.77 C=C(C)C[C@@H](N)C1=CC=CO1 MCULE-3102221936 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.77 C=C(C)C[C@@H](N)C1=CC=CS1 MCULE-1300695825 [0,0,0,0,0,0|2,1,1]=4 5 B11R1.77 C=C(C)C[C@@H](N)C1=CC=CS1 MCULE-1669893695 [0,0,0,0,0,0|2,1,1]=4 6 B11R1.77 C=C(C)C[C@H](N)C1=CC=CN1 MCULE-5204388114 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.77 C=C(C)C[C@H](N)C1=CC=CN1 MCULE-8240197852 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.77 C=C(C)C[C@H](N)C1=CC=CO1 MCULE-4349563841 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.77 C=C(C)C[C@H](N)C1=CC=CO1 MCULE-7824068427 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.77 C=C(C)C[C@H](N)C1=CC=CS1 MCULE-1807659264 [0,0,0,0,0,0|2,1,1]=4 11 B11R1.77 C=C(C)C[C@H](N)C1=CC=CS1 MCULE-5600084582 [0,0,0,0,0,0|2,1,1]=4 12 B11R1.77 CC(=CC(=O)C1=CC=CS1)C MCULE-6627400241 [0,0,0,0,0,0|1,1,1]=3 13 B11R1.77 CC(=CC(=O)O)C1=CC=CO1 MCULE-2254303624 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.77 CC(=CC(=O)O)C1=CC=CS1 MCULE-7179456295 [0,0,0,0,0,0|2,1,1]=4 15 B11R1.77 CC(=O)CC(=O)C1=CC=CO1 MCULE-1620092656 [0,0,0,0,0,0|0,0,0]=0 16 B11R1.77 CC(=O)CC(=O)C1=CC=CS1 MCULE-3430263061 [0,0,0,0,0,0|0,1,0]=1 17 B11R1.77 CC(=O)CC(=O)C1=CSC=C1 MCULE-9584861281 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.77 CC(=O)CC(=O)C1CCCO1 MCULE-9478394269 [0,0,0,0,0,0|0,0,4]=4 19 B11R1.77 CC(=O)CC(=O)N1C=NC=N1 MCULE-4959393283 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.77 CC(=O)OC(=C1C=CC=C1)C MCULE-5146801070 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.77 CC(C)CC(=O)C1=CC=CS1 MCULE-5389048053 [0,0,0,0,0,0|1,1,1]=3 22 B11R1.77 CC(C)CC(=O)C1=NC=CO1 MCULE-1918791240 [0,0,0,0,0,0|2,0,1]=3 23 B11R1.77 CC(C)C[C@@H](N)C1=CC=CO1 MCULE-1837868634 [0,0,0,0,0,0|2,0,2]=4 24 B11R1.77 CC(C)C[C@@H](N)C1=CC=CO1 MCULE-8267402033 [0,0,0,0,0,0|2,0,2]=4 25 B11R1.77 CC(C)C[C@H](N)C1=CC=CO1 MCULE-2353178225 [0,0,0,0,0,0|2,0,2]=4 26 B11R1.77 CC(C)C[C@H](N)C1=CC=CO1 MCULE-3552674997 [0,0,0,0,0,0|2,0,2]=4 27 B11R1.77 CC(C)NC(=O)C1=CC=CS1 MCULE-1358074108 [0,0,0,0,0,0|2,1,1]=4 28 B11R1.77 CC(C)NC(=O)C1=CC=NO1 MCULE-2444580198 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.77 CC(C)OC(=O)C1=CC=CO1 MCULE-1049013715 [0,0,0,0,0,0|2,0,1]=3 30 B11R1.77 CC(CC(=O)O)C1=CC=CO1 MCULE-1929187509 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.77 CC(CC(=O)O)C1=CC=CS1 MCULE-4589142714 [0,0,0,0,0,0|2,1,1]=4 32 B11R1.77 CC(N)CC(=O)C1=CC=CO1 MCULE-7249531333 [0,0,0,0,0,0|1,0,1]=2 33 B11R1.77 CC(N)CC(=O)C1=CC=CS1 MCULE-4799819645 [0,0,0,0,0,0|1,1,1]=3 34 B11R1.77 CC(N)CC(=O)C1=CC=CS1 MCULE-7156652591 [0,0,0,0,0,0|1,1,1]=3 35 B11R1.77 CC(N)CC(O)C1=CC=CO1 MCULE-3388114725 [0,0,0,0,0,0|1,0,3]=4 36 B11R1.77 CN(C)NC(=O)C1=CC=CS1 MCULE-9639823011 [0,0,0,0,0,0|3,1,0]=4 37 B11R1.77 NC(=S)NC(=O)C1=CC=CS1 MCULE-3745408203 [0,0,0,0,0,0|2,2,0]=4 38 B11R1.77 NC(CC(=O)O)C1=CC=CO1 MCULE-4837417792 [0,0,0,0,0,0|2,0,1]=3 39 B11R1.77 NC(CC(=O)O)C1=CC=CO1 MCULE-4958340543 [0,0,0,0,0,0|2,0,1]=3 40 B11R1.77 NC(CC(=O)O)C1=CC=CS1 MCULE-4310408967 [0,0,0,0,0,0|2,1,1]=4 41 B11R1.77 NC(CC(=O)O)C1=CC=CS1 MCULE-4515895911 [0,0,0,0,0,0|2,1,1]=4 42 B11R1.77 NC(CC(=O)O)C1=CC=CS1 MCULE-8010171040 [0,0,0,0,0,0|2,1,1]=4 43 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 MCULE-3487071362 [0,0,0,0,0,0|2,0,1]=3 44 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 MCULE-6738812017 [0,0,0,0,0,0|2,0,1]=3 45 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 MCULE-6817919574 [0,0,0,0,0,0|2,0,1]=3 46 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 MCULE-5396701536 [0,0,0,0,0,0|2,1,1]=4 47 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 MCULE-6166848611 [0,0,0,0,0,0|2,1,1]=4 48 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 MCULE-7980073440 [0,0,0,0,0,0|2,1,1]=4 49 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 MCULE-9153700407 [0,0,0,0,0,0|2,1,1]=4 50 B11R1.77 N[C@H](CC(=O)O)C1=CC=CO1 MCULE-1644247813 [0,0,0,0,0,0|2,0,1]=3 51 B11R1.77 N[C@H](CC(=O)O)C1=CC=CO1 MCULE-3339059246 [0,0,0,0,0,0|2,0,1]=3 52 B11R1.77 N[C@H](CC(=O)O)C1=CC=CO1 MCULE-9235419752 [0,0,0,0,0,0|2,0,1]=3 53 B11R1.77 N[C@H](CC(=O)O)C1=CC=CO1 MCULE-9295639672 [0,0,0,0,0,0|2,0,1]=3 54 B11R1.77 N[C@H](CC(=O)O)C1=CC=CS1 MCULE-3827031042 [0,0,0,0,0,0|2,1,1]=4 55 B11R1.77 N[C@H](CC(=O)O)C1=CC=CS1 MCULE-7126396520 [0,0,0,0,0,0|2,1,1]=4 56 B11R1.77 O=C(O)CC(=O)C1=CC=CO1 MCULE-2623089072 [0,0,0,0,0,0|1,0,0]=1 57 B11R1.77 O=N(=O)CC(O)C1=CC=CO1 MCULE-2101624443 [0,0,0,0,0,0|2,0,2]=4 58 B10R1.11 C=CCC(O)C1=CC=CO1 MCULE-3788976390 [1,0,0,0,0,0|0,0,3]=4 59 B10R1.11 C=CC[C@@H](N)C1=CC=CO1 MCULE-2008360677 [1,0,0,0,0,0|1,0,2]=4 60 B10R1.11 C=CC[C@@H](N)C1=CC=CO1 MCULE-7714737928 [1,0,0,0,0,0|1,0,2]=4 61 B10R1.11 C=CC[C@H](N)C1=CC=CO1 MCULE-7567577073 [1,0,0,0,0,0|1,0,2]=4 62 B10R1.11 C=CC[C@H](N)C1=CC=CO1 MCULE-7715887562 [1,0,0,0,0,0|1,0,2]=4 63 B10R1.11 CC=CC(=O)C1=CC=CS1 MCULE-3729837760 [1,0,0,0,0,0|0,1,1]=3 64 B10R1.11 CCCC(=O)C1=CC=CO1 MCULE-9036040363 [1,0,0,0,0,0|0,0,1]=2 65 B10R1.11 CCCC(=O)C1=CC=CS1 MCULE-8780794826 [1,0,0,0,0,0|0,1,1]=3 66 B10R1.11 CCCC(=O)C1=CSC=C1 MCULE-9708356569 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.11 CCCC(=O)C1=NC=CO1 MCULE-9973890754 [1,0,0,0,0,0|1,0,1]=3 68 B10R1.11 CCCC(N)C1=CC=CO1 MCULE-3700821300 [1,0,0,0,0,0|1,0,2]=4 69 B10R1.11 CCCC(N)C1=CC=CO1 MCULE-7483484101 [1,0,0,0,0,0|1,0,2]=4 70 B10R1.11 CCCC(O)C1=CC=CO1 MCULE-6510694409 [1,0,0,0,0,0|0,0,3]=4 71 B10R1.11 CCC[C@@H](N)C1=CC=CO1 MCULE-1580897891 [1,0,0,0,0,0|1,0,2]=4 72 B10R1.11 CCC[C@@H](N)C1=CC=CO1 MCULE-4372091514 [1,0,0,0,0,0|1,0,2]=4 73 B10R1.11 CCC[C@H](N)C1=CC=CO1 MCULE-5398911467 [1,0,0,0,0,0|1,0,2]=4 74 B10R1.11 CCC[C@H](N)C1=CC=CO1 MCULE-8662647965 [1,0,0,0,0,0|1,0,2]=4 75 B10R1.11 CCNC(=O)C1=CC=CN1 MCULE-1942014208 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.11 CCNC(=O)C1=CC=CS1 MCULE-4079091141 [1,0,0,0,0,0|1,1,1]=4 77 B10R1.11 CCOC(=O)C1=CC=CN1 MCULE-8658466323 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.11 CCOC(=O)C1=CC=CO1 MCULE-5049309997 [1,0,0,0,0,0|1,0,1]=3 79 B10R1.11 CCOC(=O)C1=CC=CS1 MCULE-4538513975 [1,0,0,0,0,0|1,1,1]=4 80 B10R1.11 CCOC(=O)C1=CC=NO1 MCULE-5986325534 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.11 CCOC(=O)C1=CN=CO1 MCULE-5953159562 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.11 CCOC(=O)C1=NC=CO1 MCULE-2522528829 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.11 CNCC(=O)C1=CC=CN1 MCULE-2907437648 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.11 CNCC(=O)C1=CC=CO1 MCULE-8754624402 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.11 CNCC(=O)C1=CC=CS1 MCULE-6311486477 [1,0,0,0,0,0|1,1,0]=3 86 B10R1.11 CNCC(=O)C1=NC=CS1 MCULE-5484382267 [1,0,0,0,0,0|2,1,0]=4 87 B10R1.11 CNCC(=O)C1=NC=CS1 MCULE-8141860453 [1,0,0,0,0,0|2,1,0]=4 88 B10R1.11 COCC(=O)C1=CC=CS1 MCULE-6977266210 [1,0,0,0,0,0|1,1,0]=3 89 B10R1.11 COCC(N)C1=CC=CO1 MCULE-2163480823 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.11 N#CCC(=O)C1=CC=CN1 MCULE-4910741688 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.11 N#CCC(=O)C1=CC=CO1 MCULE-3985729548 [1,0,0,0,0,0|1,0,1]=3 92 B10R1.11 N#CCC(=O)C1=CC=CS1 MCULE-6543831572 [1,0,0,0,0,0|1,1,1]=4 93 B10R1.11 O=C(CCCl)C1=CC=CS1 MCULE-1462566350 [1,0,0,0,0,0|1,1,1]=4 94 B10R1.11 O=C(N=C=S)C1=CC=CO1 MCULE-3653776375 [1,0,0,0,0,0|1,1,1]=4 95 B10R1.66 CC(=O)/C=C/C1=CC=CO1 MCULE-7175927536 [1,0,0,0,0,0|0,0,1]=2 96 B10R1.66 CC(=O)/C=C/C1=CC=CS1 MCULE-9668699729 [1,0,0,0,0,0|0,1,1]=3 97 B10R1.66 CC(=O)/C=C/C1=CSC=C1 MCULE-9067564306 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.66 CC(=O)C=CC1=CC=CO1 MCULE-9905851815 [1,0,0,0,0,0|0,0,1]=2 99 B10R1.66 CC(=O)C=CC1=CC=CS1 MCULE-4792487998 [1,0,0,0,0,0|0,1,1]=3 100 B10R1.66 CC(=O)C=CC1=CSC=C1 MCULE-4852101760 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.66 CC(=O)CCC1=CC=CO1 MCULE-2101099047 [1,0,0,0,0,0|0,0,1]=2 102 B10R1.66 CC(=O)CCC1=CSC=C1 MCULE-1818012086 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.66 CC(=O)CCC1=NC=CS1 MCULE-2524666506 [1,0,0,0,0,0|1,1,1]=4 104 B10R1.66 CC(=O)CCN1C=CC=N1 MCULE-7966519689 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.66 CC(=O)CSC1=CC=CS1 MCULE-1447269840 [1,0,0,0,0,0|1,1,0]=3 106 B10R1.66 CC(=O)NCC1=CC=CO1 MCULE-3515662037 [1,0,0,0,0,0|1,0,1]=3 107 B10R1.66 CC(=O)NCC1=CC=CS1 MCULE-9977095360 [1,0,0,0,0,0|1,1,1]=4 108 B10R1.66 CC(=O)OC=C1C=CC=C1 MCULE-9595415944 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.66 CC(=O)OCC1=CC=CO1 MCULE-8997160416 [1,0,0,0,0,0|1,0,1]=3 110 B10R1.66 CC(=O)SCC1=CC=CO1 MCULE-2013313658 [1,0,0,0,0,0|1,0,1]=3 111 B10R1.66 CC(=S)OCC1=CC=CO1 MCULE-2183015390 [1,0,0,0,0,0|1,1,1]=4 112 B10R1.66 CC(N)CCC1=CC=CO1 MCULE-6992838263 [1,0,0,0,0,0|1,0,2]=4 113 B10R1.66 CN(C)/N=C/C1=CC=CO1 MCULE-9853274822 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.66 CN(C)N=CC1=CC=CO1 MCULE-7082620550 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.66 N=C(N)CCC1=CC=CO1 MCULE-4674401212 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.66 N=C(N)CCC1=CC=CO1 MCULE-8321587302 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.66 NC(=O)/C=C/C1=CC=CS1 MCULE-2550089532 [1,0,0,0,0,0|1,1,1]=4 118 B10R1.66 NC(=O)C=CC1=CC=CO1 MCULE-3308563945 [1,0,0,0,0,0|1,0,1]=3 119 B10R1.66 NC(=O)C=CC1=CC=CS1 MCULE-4715280412 [1,0,0,0,0,0|1,1,1]=4 120 B10R1.66 NC(=O)NCC1=CC=CO1 MCULE-8058725801 [1,0,0,0,0,0|2,0,1]=4 121 B10R1.66 O=C(Cl)/C=C/C1=CC=CO1 MCULE-3961989188 [1,0,0,0,0,0|1,0,1]=3 122 B10R1.66 O=C(Cl)/C=C/C1=CC=CS1 MCULE-4325709525 [1,0,0,0,0,0|1,1,1]=4 123 B10R1.66 O=C(Cl)C=CC1=CC=CO1 MCULE-9192017514 [1,0,0,0,0,0|1,0,1]=3 124 B10R1.66 O=C(Cl)C=CC1=CC=CS1 MCULE-4244086123 [1,0,0,0,0,0|1,1,1]=4 125 B10R1.66 O=C(Cl)CCC1=CC=CS1 MCULE-7371256050 [1,0,0,0,0,0|1,1,1]=4 126 B10R1.66 O=C(O)/C=C/C1=CC=CO1 MCULE-1000282553 [1,0,0,0,0,0|1,0,1]=3 127 B10R1.66 O=C(O)/C=C/C1=CC=CS1 MCULE-7724588931 [1,0,0,0,0,0|1,1,1]=4 128 B10R1.66 O=C(O)C#CC1=CC=CO1 MCULE-9618528259 [1,0,0,0,0,0|1,0,2]=4 129 B10R1.66 O=C(O)C=CC1=CC=CN1 MCULE-5460570885 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.66 O=C(O)C=CC1=CC=CO1 MCULE-8349779970 [1,0,0,0,0,0|1,0,1]=3 131 B10R1.66 O=C(O)C=CC1=CC=CS1 MCULE-8401835373 [1,0,0,0,0,0|1,1,1]=4 132 B10R1.66 O=C(O)CCC1=CC=CN1 MCULE-8495580718 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.66 O=C(O)CCC1=CC=CO1 MCULE-3535606082 [1,0,0,0,0,0|1,0,1]=3 134 B10R1.66 O=C(O)CCC1=CC=CS1 MCULE-3548538547 [1,0,0,0,0,0|1,1,1]=4 135 B10R1.66 O=C(O)CCC1=CC=NO1 MCULE-2698728972 [1,0,0,0,0,0|2,0,1]=4 136 B10R1.66 O=C(O)CCC1=NC=CO1 MCULE-8621379865 [1,0,0,0,0,0|2,0,1]=4 137 B10R1.66 O=C(O)CSC1=CC=CS1 MCULE-4950567579 [1,0,0,0,0,0|2,1,0]=4 138 B10R1.66 O=N(=O)/C=C/C1=CC=CO1 MCULE-3251448880 [1,0,0,0,0,0|2,0,1]=4 139 B10R1.66 O=N(=O)CCC1=CC=CO1 MCULE-6179704930 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.66 O=P([O-])CCC1=CC=CO1 MCULE-6900012549 [1,0,0,0,0,0|2,0,1]=4 141 B10R1.66 O=P([O-])CCC1=CC=CO1 MCULE-7798677915 [1,0,0,0,0,0|2,0,1]=4 142 B10R1.66 O=[N+]([O-])C=CC1=CC=CO1 MCULE-8162497904 [1,0,0,0,0,0|2,0,1]=4 143 B12R1.15 CC(NC(=O)CCl)C1=CC=CO1 MCULE-7839604461 [0,1,0,0,0,0|2,0,1]=4 144 B12R1.15 CCC(C)CC(=O)C1=NC=CO1 MCULE-3203987055 [0,1,0,0,0,0|2,0,1]=4 145 B12R1.15 CCC(C)NC(=O)C1=CC=CO1 MCULE-6575577721 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.15 CNC(=O)CC(O)C1=CC=CS1 MCULE-3198255322 [0,1,0,0,0,0|0,1,2]=4 147 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 MCULE-9245629328 [0,1,0,0,0,0|0,0,0]=1 148 B12R1.15 COC(=O)CC(=O)C1=CC=CS1 MCULE-3785477237 [0,1,0,0,0,0|0,1,0]=2 149 B12R1.15 COC(=O)CC(=O)C1=CSC=C1 MCULE-5501845421 [0,1,0,0,0,0|2,0,0]=3 150 B12R1.15 COC(=O)CC(N)C1=CC=CO1 MCULE-7381031265 [0,1,0,0,0,0|1,0,1]=3 151 B12R1.15 COC(=O)CC(N)C1=CC=CO1 MCULE-8131386004 [0,1,0,0,0,0|1,0,1]=3 152 B12R1.15 COC(=O)CC(N)C1=CC=CS1 MCULE-2083917803 [0,1,0,0,0,0|1,1,1]=4 153 B12R1.15 COC(=O)CC(N)C1=CC=CS1 MCULE-6252355121 [0,1,0,0,0,0|1,1,1]=4 154 B12R1.15 COC(=O)C[C@@H](N)C1=CC=CN1 MCULE-3527558990 [0,1,0,0,0,0|2,0,1]=4 155 B12R1.15 COC(=O)C[C@@H](N)C1=CC=CN1 MCULE-6414385445 [0,1,0,0,0,0|2,0,1]=4 156 B12R1.15 COC(=O)C[C@@H](N)C1=CC=CO1 MCULE-2671802349 [0,1,0,0,0,0|1,0,1]=3 157 B12R1.15 COC(=O)C[C@@H](N)C1=CC=CO1 MCULE-2983258408 [0,1,0,0,0,0|1,0,1]=3 158 B12R1.15 COC(=O)C[C@@H](N)C1=CC=CS1 MCULE-1432874035 [0,1,0,0,0,0|1,1,1]=4 159 B12R1.15 COC(=O)C[C@@H](N)C1=CC=CS1 MCULE-1440420968 [0,1,0,0,0,0|1,1,1]=4 160 B12R1.15 COC(=O)C[C@H](N)C1=CC=CN1 MCULE-6293565601 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.15 COC(=O)C[C@H](N)C1=CC=CN1 MCULE-6588070134 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.15 COC(=O)C[C@H](N)C1=CC=CO1 MCULE-5962138330 [0,1,0,0,0,0|1,0,1]=3 163 B12R1.15 COC(=O)C[C@H](N)C1=CC=CO1 MCULE-7933752993 [0,1,0,0,0,0|1,0,1]=3 164 B12R1.15 COC(=O)C[C@H](N)C1=CC=CS1 MCULE-1292768434 [0,1,0,0,0,0|1,1,1]=4 165 B12R1.15 COC(=O)C[C@H](N)C1=CC=CS1 MCULE-1862614599 [0,1,0,0,0,0|1,1,1]=4 166 B12R1.15 COC(=O)C[C@H](N)C1=CC=CS1 MCULE-5952205048 [0,1,0,0,0,0|1,1,1]=4 167 B12R1.15 COC(=O)C[C@H](N)C1=CC=CS1 MCULE-6427624402 [0,1,0,0,0,0|1,1,1]=4 168 B12R1.15 O=C(CCl)NC(=O)C1=CC=CN1 MCULE-3424634881 [0,1,0,0,0,0|2,0,0]=3 169 B12R1.15 O=C(CCl)NC(=O)C1=CC=CO1 MCULE-2758534721 [0,1,0,0,0,0|1,0,0]=2 170 B12R1.15 O=C(CCl)NC(=O)C1=CC=CS1 MCULE-3540483785 [0,1,0,0,0,0|1,1,0]=3 171 B12R1.103 C=C(C)C[C@@H](N)C1=CC=C(O1)Br MCULE-2323974712 [0,1,0,0,0,0|2,0,1]=4 172 B12R1.103 C=C(C)C[C@@H](N)C1=CC=C(O1)Br MCULE-6648014187 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.103 C=C(C)C[C@@H](N)C1=CC=C(O1)C MCULE-2964595863 [0,1,0,0,0,0|2,0,1]=4 174 B12R1.103 C=C(C)C[C@@H](N)C1=CC=C(O1)C MCULE-8262167696 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.103 C=C(C)C[C@@H](N)C1=CC=C(O1)Cl MCULE-4603702598 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.103 C=C(C)C[C@@H](N)C1=CC=C(O1)Cl MCULE-8156558557 [0,1,0,0,0,0|2,0,1]=4 177 B12R1.103 C=C(C)C[C@H](N)C1=CC=C(O1)Br MCULE-4494221429 [0,1,0,0,0,0|2,0,1]=4 178 B12R1.103 C=C(C)C[C@H](N)C1=CC=C(O1)Br MCULE-6535379948 [0,1,0,0,0,0|2,0,1]=4 179 B12R1.103 C=C(C)C[C@H](N)C1=CC=C(O1)C MCULE-1772822642 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.103 C=C(C)C[C@H](N)C1=CC=C(O1)C MCULE-3503866244 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.103 C=C(C)C[C@H](N)C1=CC=C(O1)Cl MCULE-1990842171 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.103 C=C(C)C[C@H](N)C1=CC=C(O1)Cl MCULE-6316948253 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.103 CC(=CC(=O)C1=CC(=CS1)Br)C MCULE-5454234412 [0,1,0,0,0,0|1,1,1]=4 184 B12R1.103 CC(=CC(=O)C1=CC=C(S1)Br)C MCULE-2849459942 [0,1,0,0,0,0|1,1,1]=4 185 B12R1.103 CC(=CC(=O)C1=CC=C(S1)C)C MCULE-5146527910 [0,1,0,0,0,0|1,1,1]=4 186 B12R1.103 CC(=CC(=O)C1=CC=C(S1)Cl)C MCULE-8383584406 [0,1,0,0,0,0|1,1,1]=4 187 B12R1.103 CC(=O)CC(=O)C1=CC=C(S1)Br MCULE-2105656866 [0,1,0,0,0,0|0,1,0]=2 188 B12R1.103 CC(=O)CC(=O)C1=CN(N=C1)C MCULE-5618029735 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.103 CC(C)CC(=O)C1=CC(=CS1)Br MCULE-2453699172 [0,1,0,0,0,0|1,1,1]=4 190 B12R1.103 CC(C)CC(=O)C1=CC=C(S1)Br MCULE-4386633337 [0,1,0,0,0,0|1,1,1]=4 191 B12R1.103 CC(C)CC(=O)C1=CC=C(S1)Cl MCULE-7684491630 [0,1,0,0,0,0|1,1,1]=4 192 B12R1.103 CC(C)NC(=O)C1=CC=C(O1)Br MCULE-3770794983 [0,1,0,0,0,0|2,0,1]=4 193 B12R1.103 CC(C)NC(=O)C1=CC=C(O1)I MCULE-5094154590 [0,1,0,0,0,0|2,0,1]=4 194 B12R1.103 CC1=CC=C(O1)C(=O)NN(C)C MCULE-5773955988 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.103 CC1=CC=C(O1)C(N)CC(=O)O MCULE-8580844075 [0,1,0,0,0,0|2,0,1]=4 196 B12R1.103 CC1=CC=C(S1)C(=O)CC(C)C MCULE-6231766808 [0,1,0,0,0,0|1,1,1]=4 197 B12R1.103 NC(CC(=O)O)C1=CC=C(O1)Br MCULE-7021694299 [0,1,0,0,0,0|2,0,1]=4 198 B12R1.120 NC(C(=O)O)C(O)C1=CC=CO1 MCULE-8288781221 [0,1,0,0,0,0|1,0,2]=4 199 B12R1.144 CC(=CC(=O)C1=C(C=CO1)C)C MCULE-7029794585 [0,1,0,0,0,0|1,0,1]=3 200 B12R1.144 CC(=CC(=O)C1=C(C=CS1)Br)C MCULE-4324799606 [0,1,0,0,0,0|1,1,1]=4 201 B12R1.144 CC(=CC(=O)C1=C(C=CS1)C)C MCULE-5448837427 [0,1,0,0,0,0|1,1,1]=4 202 B12R1.144 CC(C)CC(=O)C1=C(C=CS1)Br MCULE-5563275275 [0,1,0,0,0,0|1,1,1]=4 203 B12R1.144 CC1=C(SC=C1)C(=O)CC(C)C MCULE-5706829833 [0,1,0,0,0,0|1,1,1]=4 204 B12R1.144 CS(=O)CC(=O)C1=C(SC=C1)N MCULE-5023198938 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.265 CC(C)(C)CC(=O)C1=CC=CS1 MCULE-7307910610 [0,1,0,0,0,0|1,1,1]=4 206 B12R1.265 CC(C)(C)CC(=O)C1=NC=CO1 MCULE-8921422375 [0,1,0,0,0,0|2,0,1]=4 207 B12R1.265 CC(C)(C)NC(=O)C1=CC=CO1 MCULE-4105544346 [0,1,0,0,0,0|2,0,1]=4 208 B12R1.265 O=C(CC(F)(F)F)C1=CC=CO1 MCULE-8574272850 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.476 CC(=O)OC(C#N)C1=CC=CO1 MCULE-9981261571 [0,1,0,0,0,0|2,0,1]=4 210 B10R0.32 CCOC(=O)C(=O)CC(=O)C MCULE-7421065991 [0,0,1,0,0,0|1,0,2]=4 211 B12R2.6 CC1=NNC(=C1)C2=CC=CO2 MCULE-1677776889 [0,0,0,1,0,0|2,0,1]=4 212 B12R2.6 O=C1CC(=NN1)C2=CC=CO2 MCULE-2852463328 [0,0,0,1,0,0|2,0,0]=3 213 B12R2.6 O=C1CC(=NN1)C2=CC=CS2 MCULE-2459476327 [0,0,0,1,0,0|2,1,0]=4 214 B12R2.6 O=C1CC(=NO1)C2=CC=CO2 MCULE-6975597952 [0,0,0,1,0,0|2,0,0]=3 215 B12R2.6 O=C1CC(CN1)C2=CC=CO2 MCULE-9948286775 [0,0,0,1,0,0|2,0,1]=4 216 B12R2.6 O=C1CSC(C1)C2=CC=CS2 MCULE-8397491354 [0,0,0,1,0,0|0,2,1]=4 217 B12R2.6 O=C1CSC(N1)C2=CC=CO2 MCULE-6000207609 [0,0,0,1,0,0|1,1,1]=4 218 B12R2.6 O=C1NN=C(O1)C2=CC=CO2 MCULE-6773781340 [0,0,0,1,0,0|3,0,0]=4 219 B12R2.246 CC1=CC(=C2OC=CC2=C1)Br MCULE-3116663371 [0,0,0,1,0,0|2,0,1]=4 220 B12R2.246 CC1=CC(=O)C2=C(N1)C=CS2 MCULE-7915172440 [0,0,0,1,0,0|1,1,1]=4 221 B12R2.246 CC1=CC2=C(OC=C2)C(=N1)Cl MCULE-5068482443 [0,0,0,1,0,0|3,0,0]=4 222 B12R2.246 CC1=CN2C=CC=C2C(=O)N1 MCULE-5912936448 [0,0,0,1,0,0|3,0,0]=4 223 B12R2.246 CC1=NC(=C2OC=CC2=N1)Cl MCULE-8165260059 [0,0,0,1,0,0|3,0,0]=4 224 B12R2.246 CC1=NC(=O)C2=CC=CN2N1 MCULE-1286324995 [0,0,0,1,0,0|3,0,0]=4 225 B12R2.246 O=C1CC(=O)N2N=CC=C2N1 MCULE-1193874253 [0,0,0,1,0,0|3,0,0]=4 226 B12R2.246 O=C1NC(=O)C2=C(N1)C=CN2 MCULE-6069519505 [0,0,0,1,0,0|3,0,0]=4 227 B12R2.246 O=C1NC(=O)C2=CC=CN2N1 MCULE-6275733249 [0,0,0,1,0,0|3,0,0]=4 228 B12R2.246 O=C1NC2=C(SC=C2)C(=O)O1 MCULE-6427310926 [0,0,0,1,0,0|2,1,0]=4 229 B12R2.1354 CC(=O)C1CC1C2=CC=CO2 MCULE-2239066013 [0,0,0,1,0,0|1,0,1]=3 230 B12R2.1354 CC(=O)C1CC1C2=CC=CS2 MCULE-7550767802 [0,0,0,1,0,0|1,1,1]=4 231 B12R2.1354 CC(=O)[C@@H]1C[C@H]1C2=CC=CS2 MCULE-4200702765 [0,0,0,1,0,0|1,1,1]=4 232 B12R2.1354 O=C(O)C1CC1C2=CC=CO2 MCULE-6611007978 [0,0,0,1,0,0|2,0,1]=4 233 B10R1.23 C=C(C)C(=O)C1=CC=CS1 MCULE-3669511838 [0,0,0,0,1,0|1,1,0]=3 234 B10R1.23 CC(=O)C(=O)C1=CSC=C1 MCULE-6498632283 [0,0,0,0,1,0|2,0,0]=3 235 B10R1.23 CC(Br)C(=O)C1=CC=CO1 MCULE-5587099019 [0,0,0,0,1,0|1,0,1]=3 236 B10R1.23 CC(Br)C(=O)C1=CC=CS1 MCULE-1215823696 [0,0,0,0,1,0|1,1,1]=4 237 B10R1.23 CC(C(=O)O)C1=CC=CO1 MCULE-6443441937 [0,0,0,0,1,0|2,0,1]=4 238 B10R1.23 CC(C)C(=O)C1=CC=CO1 MCULE-6251458834 [0,0,0,0,1,0|1,0,1]=3 239 B10R1.23 CC(C)C(=O)C1=CC=CS1 MCULE-4493986532 [0,0,0,0,1,0|1,1,1]=4 240 B10R1.23 CC(C)C(=O)C1=NC=CO1 MCULE-5548820078 [0,0,0,0,1,0|2,0,1]=4 241 B10R1.23 CC(Cl)C(=O)C1=CC=CS1 MCULE-6885871916 [0,0,0,0,1,0|1,1,1]=4 242 B10R1.23 CC(N)C(=O)C1=CC=CO1 MCULE-1502430285 [0,0,0,0,1,0|1,0,1]=3 243 B10R1.23 CC(N)C(=O)C1=CC=CO1 MCULE-4330835647 [0,0,0,0,1,0|1,0,1]=3 244 B10R1.23 CC(N)C(=O)C1=CC=CS1 MCULE-6328286612 [0,0,0,0,1,0|1,1,1]=4 245 B10R1.23 CN(C)C(=O)C1=CC=CN1 MCULE-6084500673 [0,0,0,0,1,0|3,0,0]=4 246 B10R1.23 CN(C)C(=O)C1=CC=CO1 MCULE-4234143990 [0,0,0,0,1,0|2,0,0]=3 247 B10R1.23 CN(C)C(=O)C1=CC=CS1 MCULE-4503530769 [0,0,0,0,1,0|2,1,0]=4 248 B10R1.23 CN(C)C(=O)C1=CC=NO1 MCULE-3346490826 [0,0,0,0,1,0|3,0,0]=4 249 B10R1.23 CN(O)C(=O)C1=CC=CO1 MCULE-9843941294 [0,0,0,0,1,0|1,0,1]=3 250 B10R1.23 NC(=O)C(=O)C1=CC=CO1 MCULE-8360919922 [0,0,0,0,1,0|1,0,0]=2 251 B10R1.23 NC(=O)C(=O)C1=CC=CS1 MCULE-7042640781 [0,0,0,0,1,0|1,1,0]=3 252 B10R1.23 NC(C(=O)O)C1=CC=CO1 MCULE-9043644841 [0,0,0,0,1,0|2,0,1]=4 253 B10R1.23 O=C(O)C(=O)C1=CC=CN1 MCULE-9607086039 [0,0,0,0,1,0|2,0,0]=3 254 B10R1.23 O=C(O)C(=O)C1=CC=CO1 MCULE-5129158726 [0,0,0,0,1,0|1,0,0]=2 255 B10R1.23 O=C(O)C(=O)C1=CC=CS1 MCULE-2381062967 [0,0,0,0,1,0|1,1,0]=3 256 B10R1.23 O=C(O)C(=O)C1=CNC=N1 MCULE-8916685899 [0,0,0,0,1,0|3,0,0]=4 257 B10R1.23 O=C(O)C(=O)C1=CSC=C1 MCULE-4791693629 [0,0,0,0,1,0|3,0,0]=4 258 B10R1.23 O=C(O)C(O)C1=CC=CO1 MCULE-1444782782 [0,0,0,0,1,0|1,0,2]=4 259 B10R1.23 O=C([O-])C(=O)C1=CSC=C1 MCULE-6871760335 [0,0,0,0,1,0|3,0,0]=4 260 B12R1.54 CC(=NNC(=O)C1=CC=CO1)C MCULE-3185221906 [0,0,0,0,0,1|2,0,0]=3 261 B12R1.54 CC(=NNC(=O)N)C1=CC=CO1 MCULE-1089910487 [0,0,0,0,0,1|3,0,0]=4 262 B12R1.54 CC(=O)CCC(=O)C1=CC=CO1 MCULE-6143224711 [0,0,0,0,0,1|0,0,0]=1 263 B12R1.54 CC(=O)CCC(=O)C1=CC=CS1 MCULE-7592855571 [0,0,0,0,0,1|0,1,0]=2 264 B12R1.54 CC(=O)CCC(=O)C1=COC=C1 MCULE-1696593099 [0,0,0,0,0,1|2,0,0]=3 265 B12R1.54 CC(=O)OCC(=O)C1=CC=CO1 MCULE-6619266698 [0,0,0,0,0,1|0,0,0]=1 266 B12R1.54 CC(=O)OCC(=O)C1=CC=CS1 MCULE-1281602021 [0,0,0,0,0,1|0,1,0]=2 267 B12R1.54 CC(C)CCC(=O)C1=NC=CO1 MCULE-4388779782 [0,0,0,0,0,1|2,0,1]=4 268 B12R1.54 CC(C)CNC(=O)C1=CC=CS1 MCULE-4879651474 [0,0,0,0,0,1|1,1,1]=4 269 B12R1.54 CC(C)NCC(=O)C1=CC=CN1 MCULE-3431771974 [0,0,0,0,0,1|2,0,1]=4 270 B12R1.54 CC(C)NCC(=O)C1=CC=CO1 MCULE-7841248915 [0,0,0,0,0,1|1,0,1]=3 271 B12R1.54 CC(C)NCC(=O)C1=CC=CS1 MCULE-7640836777 [0,0,0,0,0,1|1,1,1]=4 272 B12R1.54 CC(O)CNC(=O)C1=CC=CN1 MCULE-8189288794 [0,0,0,0,0,1|1,0,2]=4 273 B12R1.54 CC(O)CNC(=O)C1=CC=CS1 MCULE-5707431372 [0,0,0,0,0,1|0,1,2]=4 274 B12R1.54 CN(C)/C=C/C(=O)C1=CC=CO1 MCULE-9040287212 [0,0,0,0,0,1|2,0,1]=4 275 B12R1.54 CN(C)/C=N/C(=O)C1=CC=CO1 MCULE-8092842414 [0,0,0,0,0,1|2,0,1]=4 276 B12R1.54 CN(C)C=CC(=O)C1=CC=CO1 MCULE-8742894295 [0,0,0,0,0,1|2,0,1]=4 277 B12R1.54 CN(C)C=NC(=O)C1=CC=CO1 MCULE-1741615618 [0,0,0,0,0,1|2,0,1]=4 278 B12R1.54 CN(C)CCC(=O)C1=CC=CO1 MCULE-3791191018 [0,0,0,0,0,1|2,0,0]=3 279 B12R1.54 CN(C)CCC(=O)C1=CC=CO1 MCULE-4308097758 [0,0,0,0,0,1|2,0,0]=3 280 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 MCULE-3816984942 [0,0,0,0,0,1|2,1,0]=4 281 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 MCULE-7769845437 [0,0,0,0,0,1|2,1,0]=4 282 B12R1.54 NC(=O)CNC(=O)C1=CC=CS1 MCULE-3802046303 [0,0,0,0,0,1|1,1,0]=3 283 B12R1.54 NC(=S)NNC(=O)C1=CC=CO1 MCULE-6030023272 [0,0,0,0,0,1|2,1,0]=4 284 B12R1.54 O=C(O)C=CC(=O)C1=CC=CS1 MCULE-2390407235 [0,0,0,0,0,1|1,1,1]=4 285 B12R1.54 O=C(O)CCC(=O)C1=CC=CN1 MCULE-3986180053 [0,0,0,0,0,1|2,0,0]=3 286 B12R1.54 O=C(O)CCC(=O)C1=CC=CO1 MCULE-3985171621 [0,0,0,0,0,1|1,0,0]=2 287 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 MCULE-2553050182 [0,0,0,0,0,1|1,1,0]=3 288 B12R1.54 O=C(O)CCC(=O)C1=CSC=C1 MCULE-3124745479 [0,0,0,0,0,1|3,0,0]=4 289 B12R1.54 O=C(O)CNC(=O)C1=CC=CN1 MCULE-6005756608 [0,0,0,0,0,1|2,0,0]=3 290 B12R1.54 O=C(O)CNC(=O)C1=CC=CO1 MCULE-2987926118 [0,0,0,0,0,1|1,0,0]=2 291 B12R1.54 O=C(O)CNC(=O)C1=CC=CS1 MCULE-8788482015 [0,0,0,0,0,1|1,1,0]=3 292 B12R1.54 O=C(O)CNC(=O)C1=COC=C1 MCULE-7494176457 [0,0,0,0,0,1|3,0,0]=4 293 B12R1.54 O=C(O)CNC(=O)C1=CSC=C1 MCULE-1040680901 [0,0,0,0,0,1|3,0,0]=4 294 B12R1.54 O=C(O)CNC(=O)C1=CSC=N1 MCULE-4778102083 [0,0,0,0,0,1|3,0,0]=4 295 B12R1.107 C/C(=N\C(=O)C1=CC=CC=C1)/N MCULE-6122723303 [0,0,0,0,0,1|3,0,0]=4 296 B12R1.107 C/C(=N\C(=O)C1=CC=CC=C1)/N MCULE-9585802440 [0,0,0,0,0,1|3,0,0]=4 297 B12R1.107 C=C(NC(=O)C)C1=CC=CC=C1 MCULE-1985628354 [0,0,0,0,0,1|3,0,0]=4 298 B12R1.107 C=C(OC(=O)C)C1=CC=CC=C1 MCULE-4064749340 [0,0,0,0,0,1|3,0,0]=4 299 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)C MCULE-7053628107 [0,0,0,0,0,1|2,0,1]=4 300 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)N MCULE-7047297092 [0,0,0,0,0,1|2,0,1]=4 301 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)O MCULE-6103512840 [0,0,0,0,0,1|1,0,2]=4 302 B12R1.107 CC(=CC(=O)C1=NC=CC=C1)N MCULE-8586954538 [0,0,0,0,0,1|2,0,1]=4 303 B12R1.107 CC(=N)CC(=O)C1=CC=CC=C1 MCULE-8441112827 [0,0,0,0,0,1|2,0,0]=3 304 B12R1.107 CC(=O)C=C(N)C1=CC=CC=C1 MCULE-8012328953 [0,0,0,0,0,1|2,0,1]=4 305 B12R1.107 CC(=O)C=C(O)C1=CC=CC=N1 MCULE-2468013070 [0,0,0,0,0,1|1,0,2]=4 306 B12R1.107 CC(=O)C=C([OH2+])C1=CC=CC=C1 MCULE-1204115903 [0,0,0,0,0,1|1,0,2]=4 307 B12R1.107 CC(=O)C=C([OH2+])C1=CC=CC=C1 MCULE-4267278881 [0,0,0,0,0,1|1,0,2]=4 308 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 MCULE-5543155182 [0,0,0,0,0,1|1,0,0]=2 309 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 MCULE-4723608816 [0,0,0,0,0,1|1,0,0]=2 310 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 MCULE-6196692809 [0,0,0,0,0,1|1,0,0]=2 311 B12R1.107 CC(=O)CC(=O)C1=NC=CC=C1 MCULE-6250336922 [0,0,0,0,0,1|1,0,0]=2 312 B12R1.107 CC(=O)CC(=O)C1=NC=CN=C1 MCULE-3736951815 [0,0,0,0,0,1|1,0,0]=2 313 B12R1.107 CC(=O)CC(C)C1=CC=CC=C1 MCULE-9238946189 [0,0,0,0,0,1|2,0,1]=4 314 B12R1.107 CC(=O)CC(O)C1=CC=CC=N1 MCULE-4578524434 [0,0,0,0,0,1|1,0,2]=4 315 B12R1.107 CC(=O)C[C@@H](O)C1=CC=[NH+]C=C1 MCULE-5834701488 [0,0,0,0,0,1|1,0,2]=4 316 B12R1.107 CC(=O)C[C@@H](O)C1=CC=[NH+]C=C1 MCULE-9298145324 [0,0,0,0,0,1|1,0,2]=4 317 B12R1.107 CC(=O)NC(=O)C1=NC=CN=C1 MCULE-6076108705 [0,0,0,0,0,1|2,0,0]=3 318 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 MCULE-7723289231 [0,0,0,0,0,1|2,0,1]=4 319 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 MCULE-4799798644 [0,0,0,0,0,1|2,0,1]=4 320 B12R1.107 CC(C)CC(=O)C1=CC=NC=C1 MCULE-9177412428 [0,0,0,0,0,1|2,0,1]=4 321 B12R1.107 CC(C)CC(=O)C1=NC=CC=C1 MCULE-2702794528 [0,0,0,0,0,1|2,0,1]=4 322 B12R1.107 CC(N)CC(=O)C1=CC=CC=C1 MCULE-2688802608 [0,0,0,0,0,1|2,0,1]=4 323 B12R1.107 CN(C)CC(=O)C1=CC=CC=C1 MCULE-3356134562 [0,0,0,0,0,1|3,0,0]=4 324 B12R1.107 CN(C)CC(=O)C1=CC=CC=C1 MCULE-8189107722 [0,0,0,0,0,1|3,0,0]=4 325 B12R1.107 CS(=O)CC(=O)C1=CC=CC=N1 MCULE-7683359765 [0,0,0,0,0,1|2,0,0]=3 326 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 MCULE-1788879258 [0,0,0,0,0,1|3,0,0]=4 327 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 MCULE-4966573635 [0,0,0,0,0,1|3,0,0]=4 328 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 MCULE-7892093912 [0,0,0,0,0,1|3,0,0]=4 329 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 MCULE-9691688431 [0,0,0,0,0,1|2,0,0]=3 330 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 MCULE-1037521403 [0,0,0,0,0,1|3,0,0]=4 331 B12R1.107 NC(=O)NC(=O)C1=CC=CN=C1 MCULE-1789629914 [0,0,0,0,0,1|3,0,0]=4 332 B12R1.107 O=C(CN(=O)=O)C1=CC=CC=C1 MCULE-4522441792 [0,0,0,0,0,1|3,0,0]=4 333 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 MCULE-6221631058 [0,0,0,0,0,1|2,0,0]=3 334 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 MCULE-2660128967 [0,0,0,0,0,1|2,0,0]=3 335 B12R1.107 [NH+]1=CC=CC=C1C(O)CC(=O)C MCULE-4067045723 [0,0,0,0,0,1|1,0,2]=4 336 B12R1.260 CC(=O)CC(=O)NC1=NC=CS1 MCULE-9061134260 [0,0,0,0,0,1|1,1,0]=3 337 B12R1.260 CC(=O)CC(=O)NC1=NC=NN1 MCULE-8389519475 [0,0,0,0,0,1|3,0,0]=4 338 B12R1.260 CC(=O)CC(=O)NC1=NN=CS1 MCULE-7942918034 [0,0,0,0,0,1|2,1,0]=4 339 B12R1.260 CN(CC(=O)O)CC1=CC=CO1 MCULE-1468459956 [0,0,0,0,0,1|3,0,0]=4 340 B12R1.260 NC(CC(=O)O)CC1=CC=CO1 MCULE-4305476704 [0,0,0,0,0,1|2,0,1]=4 341 B12R1.260 N[C@@H](CC(=O)O)CC1=CC=CO1 MCULE-2795775303 [0,0,0,0,0,1|2,0,1]=4 342 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 MCULE-3040009628 [0,0,0,0,0,1|2,0,1]=4 343 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 MCULE-6537016762 [0,0,0,0,0,1|2,0,1]=4 344 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 MCULE-7106321565 [0,0,0,0,0,1|2,0,1]=4 345 B12R1.260 O=C(O)CC(=O)NC1=NC=CS1 MCULE-3535381925 [0,0,0,0,0,1|2,1,0]=4 346 B12R1.260 O=C(O)CS(=O)CC1=CC=CO1 MCULE-1088686925 [0,0,0,0,0,1|2,0,0]=3 347 B9R0.4 C=CCOC(=O)CC(=O)C MCULE-1053906241 [1,0,1,0,0,0|0,0,1]=3 348 B9R0.23 COC(=O)C(=O)CC(=O)C MCULE-8074026108 [1,0,1,0,0,0|1,0,1]=4 349 B9R1.11 CCC(=O)C1=CC=CN1 MCULE-8551092494 [2,0,0,0,0,0|1,0,0]=3 350 B9R1.11 CCC(=O)C1=CC=CO1 MCULE-4737175065 [2,0,0,0,0,0|0,0,0]=2 351 B9R1.11 CCC(=O)C1=CC=CS1 MCULE-6810531901 [2,0,0,0,0,0|0,1,0]=3 352 B9R1.11 CCC(=O)C1=CNC=N1 MCULE-1356544138 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.11 CCC(=O)C1=COC=C1 MCULE-5288816813 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.11 CCC(=O)C1=CSC=C1 MCULE-6525890952 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.11 CCC(=O)C1=NC=CO1 MCULE-6498964393 [2,0,0,0,0,0|1,0,0]=3 356 B9R1.11 CCC(=O)C1=NC=CS1 MCULE-9560900569 [2,0,0,0,0,0|1,1,0]=4 357 B9R1.11 CCC(N)C1=CC=CO1 MCULE-1360923830 [2,0,0,0,0,0|1,0,1]=4 358 B9R1.11 CCC(N)C1=CC=CO1 MCULE-9964179923 [2,0,0,0,0,0|1,0,1]=4 359 B9R1.11 CCC(O)C1=CC=CO1 MCULE-1745360927 [2,0,0,0,0,0|0,0,2]=4 360 B9R1.11 CC[C@@H](N)C1=CC=CO1 MCULE-1288452519 [2,0,0,0,0,0|1,0,1]=4 361 B9R1.11 CC[C@@H](N)C1=CC=CO1 MCULE-8312880701 [2,0,0,0,0,0|1,0,1]=4 362 B9R1.11 CC[C@H](N)C1=CC=CO1 MCULE-4237682737 [2,0,0,0,0,0|1,0,1]=4 363 B9R1.11 CC[C@H](N)C1=CC=CO1 MCULE-4480012950 [2,0,0,0,0,0|1,0,1]=4 364 B9R1.11 CNC(=O)C1=CC=CN1 MCULE-3361185074 [2,0,0,0,0,0|2,0,0]=4 365 B9R1.11 CNC(=O)C1=CC=CO1 MCULE-1487004354 [2,0,0,0,0,0|1,0,0]=3 366 B9R1.11 CNC(=O)C1=CC=CS1 MCULE-3669284340 [2,0,0,0,0,0|1,1,0]=4 367 B9R1.11 COC(=O)C1=CC=CN1 MCULE-1019290603 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.11 COC(=O)C1=CC=CO1 MCULE-5445948487 [2,0,0,0,0,0|1,0,0]=3 369 B9R1.11 COC(=O)C1=CC=CS1 MCULE-4187665335 [2,0,0,0,0,0|1,1,0]=4 370 B9R1.11 COC(=O)C1=CC=NO1 MCULE-8662259655 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.11 COC(=O)C1=CN=CO1 MCULE-1331657317 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.11 COC(=O)C1=NC=CO1 MCULE-1501535558 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.11 CSC(=O)C1=CC=CO1 MCULE-2334935294 [2,0,0,0,0,0|1,0,0]=3 374 B9R1.11 N#CC(=O)C1=CC=CO1 MCULE-1058610087 [2,0,0,0,0,0|1,0,1]=4 375 B9R1.11 NCC(=O)C1=CC=CN1 MCULE-1231860671 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.11 NCC(=O)C1=CC=CO1 MCULE-5077908932 [2,0,0,0,0,0|1,0,0]=3 377 B9R1.11 NCC(=O)C1=CC=CO1 MCULE-7639782556 [2,0,0,0,0,0|1,0,0]=3 378 B9R1.11 NCC(=O)C1=CC=CS1 MCULE-7070228037 [2,0,0,0,0,0|1,1,0]=4 379 B9R1.11 NNC(=O)C1=CC=CO1 MCULE-6130017029 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.11 O=C(CBr)C1=CC=CN1 MCULE-9732729818 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.11 O=C(CBr)C1=CC=CO1 MCULE-9615587201 [2,0,0,0,0,0|1,0,0]=3 382 B9R1.11 O=C(CBr)C1=CC=CS1 MCULE-8669272804 [2,0,0,0,0,0|1,1,0]=4 383 B9R1.11 O=C(CBr)C1=CC=NO1 MCULE-2831148171 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.11 O=C(CCl)C1=CC=CN1 MCULE-6538013100 [2,0,0,0,0,0|2,0,0]=4 385 B9R1.11 O=C(CCl)C1=CC=CO1 MCULE-9630536808 [2,0,0,0,0,0|1,0,0]=3 386 B9R1.11 O=C(CCl)C1=CC=CS1 MCULE-4696336501 [2,0,0,0,0,0|1,1,0]=4 387 B9R1.11 O=C(CCl)C1=NC=CO1 MCULE-3915987467 [2,0,0,0,0,0|2,0,0]=4 388 B9R1.11 O=C(CF)C1=CC=CS1 MCULE-1019107883 [2,0,0,0,0,0|1,1,0]=4 389 B9R1.11 O=C(CO)C1=CC=CO1 MCULE-4777881428 [2,0,0,0,0,0|0,0,1]=3 390 B9R1.11 O=C(CO)C1=CC=CS1 MCULE-2449722487 [2,0,0,0,0,0|0,1,1]=4 391 B9R1.11 O=C(NO)C1=CC=CO1 MCULE-2557625376 [2,0,0,0,0,0|1,0,1]=4 392 B9R1.11 O=CC(=O)C1=CC=CO1 MCULE-7910343219 [2,0,0,0,0,0|0,0,0]=2 393 B9R1.11 O=CC(=O)C1=CN=CS1 MCULE-1081234167 [2,0,0,0,0,0|1,1,0]=4 394 B9R1.11 [NH3+]CC(=O)C1=CC=CS1 MCULE-2439034770 [2,0,0,0,0,0|1,1,0]=4 395 B9R1.12 CCCCC1=CC=CO1 MCULE-3071851671 [2,0,0,0,0,0|0,0,2]=4 396 B9R1.12 O=C/C=C/C1=CC=CO1 MCULE-8071861971 [2,0,0,0,0,0|0,0,1]=3 397 B9R1.12 O=CC=CC1=CC=CN1 MCULE-2469885992 [2,0,0,0,0,0|1,0,1]=4 398 B9R1.12 O=CC=CC1=CC=CO1 MCULE-1727102658 [2,0,0,0,0,0|0,0,1]=3 399 B9R1.12 O=CNCC1=CC=CO1 MCULE-1492066833 [2,0,0,0,0,0|1,0,1]=4 400 B11R1.15 CC1=CC=C(O1)C(=O)CC#N MCULE-4810709643 [1,1,0,0,0,0|1,0,1]=4 401 B11R1.15 CC1=CC=C(O1)C(C)CC=O MCULE-9432677295 [1,1,0,0,0,0|1,0,1]=4 402 B11R1.15 CC=CC(=O)C1=CC(=CS1)Br MCULE-9121576958 [1,1,0,0,0,0|0,1,1]=4 403 B11R1.15 CC=CC(=O)C1=CC=C(S1)Br MCULE-9533573274 [1,1,0,0,0,0|0,1,1]=4 404 B11R1.15 CC=CC(=O)C1=CC=C(S1)C MCULE-1145100750 [1,1,0,0,0,0|0,1,1]=4 405 B11R1.15 CC=CC(=O)C1=CC=C(S1)Cl MCULE-7164601483 [1,1,0,0,0,0|0,1,1]=4 406 B11R1.15 CCCC(=O)C1=CC(=CS1)Br MCULE-6305346673 [1,1,0,0,0,0|0,1,1]=4 407 B11R1.15 CCCC(=O)C1=CC=C(S1)Br MCULE-1187913162 [1,1,0,0,0,0|0,1,1]=4 408 B11R1.15 CCCC(=O)C1=CC=C(S1)C MCULE-8591258782 [1,1,0,0,0,0|0,1,1]=4 409 B11R1.15 CCCC(=O)C1=CC=C(S1)Cl MCULE-3056495217 [1,1,0,0,0,0|0,1,1]=4 410 B11R1.15 CCNC(=O)C1=CC=C(O1)Br MCULE-4761731297 [1,1,0,0,0,0|1,0,1]=4 411 B11R1.15 CCOC(=O)C1=CC(=CO1)Br MCULE-5731566538 [1,1,0,0,0,0|1,0,1]=4 412 B11R1.15 CCOC(=O)C1=CC=C(O1)Br MCULE-2757887293 [1,1,0,0,0,0|1,0,1]=4 413 B11R1.15 CCOC(=O)C1=CC=C(O1)C MCULE-3346853980 [1,1,0,0,0,0|1,0,1]=4 414 B11R1.15 CCOC(=O)C1=CC=C(O1)N MCULE-1383389422 [1,1,0,0,0,0|1,0,1]=4 415 B11R1.15 COCC(=O)C1=CC=C(S1)C MCULE-9761648707 [1,1,0,0,0,0|1,1,0]=4 416 B11R1.15 N#CCC(=O)C1=CC=C(O1)Br MCULE-7504464106 [1,1,0,0,0,0|1,0,1]=4 417 B11R1.29 C#CCNC(=O)C1=CC=CO1 MCULE-1325836960 [1,1,0,0,0,0|0,0,2]=4 418 B11R1.29 C=CCCC(=O)C1=CC=CO1 MCULE-9212490660 [1,1,0,0,0,0|0,0,1]=3 419 B11R1.29 C=CCCC(=O)C1=CC=CS1 MCULE-3962824043 [1,1,0,0,0,0|0,1,1]=4 420 B11R1.29 C=CCNC(=O)C1=CC=CO1 MCULE-8698388052 [1,1,0,0,0,0|0,0,1]=3 421 B11R1.29 C=CCNC(=O)C1=CC=CS1 MCULE-5411151491 [1,1,0,0,0,0|0,1,1]=4 422 B11R1.29 C=CCOC(=O)C1=CC=CO1 MCULE-1988525280 [1,1,0,0,0,0|0,0,1]=3 423 B11R1.29 CCCCC(=O)C1=CC=CO1 MCULE-6559490317 [1,1,0,0,0,0|0,0,1]=3 424 B11R1.29 CCCCC(=O)C1=CC=CS1 MCULE-3866569865 [1,1,0,0,0,0|0,1,1]=4 425 B11R1.29 CCCCC(=O)C1=NC=CO1 MCULE-2901178781 [1,1,0,0,0,0|1,0,1]=4 426 B11R1.29 CCCNC(=O)C1=CC=CS1 MCULE-3026242041 [1,1,0,0,0,0|0,1,1]=4 427 B11R1.29 CCCOC(=O)C1=CC=CO1 MCULE-5109034309 [1,1,0,0,0,0|0,0,1]=3 428 B11R1.29 CCSCC(=O)C1=CC=CS1 MCULE-1926380568 [1,1,0,0,0,0|0,1,1]=4 429 B11R1.29 CNCCC(=O)C1=CC=CS1 MCULE-1451717892 [1,1,0,0,0,0|0,1,1]=4 430 B11R1.29 CNCCC(=O)C1=CC=CS1 MCULE-8760897527 [1,1,0,0,0,0|0,1,1]=4 431 B11R1.29 CSCCC(=O)C1=CC=CS1 MCULE-9070234346 [1,1,0,0,0,0|0,1,1]=4 432 B11R1.29 N#CCCC(=O)C1=CC=CO1 MCULE-5828595173 [1,1,0,0,0,0|0,0,2]=4 433 B11R1.29 NCCNC(=O)C1=CC=CO1 MCULE-5302023209 [1,1,0,0,0,0|1,0,1]=4 434 B11R1.29 NCCNC(=O)C1=CC=CO1 MCULE-8676109161 [1,1,0,0,0,0|1,0,1]=4 435 B11R1.29 O=C(CCCCl)C1=CC=CS1 MCULE-6366815085 [1,1,0,0,0,0|0,1,1]=4 436 B11R1.29 O=C(CCCCl)C1=NC=CO1 MCULE-9256874983 [1,1,0,0,0,0|1,0,1]=4 437 B11R1.31 CCC(C)C(=O)C1=CC=CS1 MCULE-5063458142 [1,1,0,0,0,0|0,1,1]=4 438 B11R1.31 CCC(Cl)C(=O)C1=CC=CS1 MCULE-6209177016 [1,1,0,0,0,0|0,1,1]=4 439 B11R1.31 CNC(C)C(=O)C1=CC=CS1 MCULE-1007653884 [1,1,0,0,0,0|1,1,0]=4 440 B11R1.31 CNC(C)C(=O)C1=CC=CS1 MCULE-3817595894 [1,1,0,0,0,0|1,1,0]=4 441 B11R1.31 COC(=O)C(=O)C1=CC=CO1 MCULE-1473344228 [1,1,0,0,0,0|1,0,1]=4 442 B11R1.31 CON(C)C(=O)C1=CC=CO1 MCULE-7648706608 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.31 N#CC(F)C(=O)C1=CC=CO1 MCULE-3371625150 [1,1,0,0,0,0|1,0,1]=4 444 B11R1.199 CC1=C(OC=C1)C(=O)CC#N MCULE-3198985726 [1,1,0,0,0,0|1,0,1]=4 445 B11R1.199 CC=CC(=O)C1=C(C=CS1)Br MCULE-8532737617 [1,1,0,0,0,0|0,1,1]=4 446 B11R1.199 CC=CC(=O)C1=C(C=CS1)C MCULE-4619036027 [1,1,0,0,0,0|0,1,1]=4 447 B11R1.199 CCCC(=O)C1=C(C=CS1)Br MCULE-3928893099 [1,1,0,0,0,0|0,1,1]=4 448 B11R1.199 CCCC(=O)C1=C(C=CS1)C MCULE-6150909371 [1,1,0,0,0,0|0,1,1]=4 449 B11R1.199 CCOC(=O)C1=C(C=CO1)Br MCULE-8213020611 [1,1,0,0,0,0|1,0,1]=4 450 B11R1.199 CCOC(=O)C1=C(C=CO1)C MCULE-1038316547 [1,1,0,0,0,0|1,0,1]=4 451 B11R1.199 CCOC(=O)C1=C(C=CO1)N MCULE-1670063778 [1,1,0,0,0,0|1,0,1]=4 452 B11R1.199 CCOC(=O)C1=C(C=CO1)N MCULE-7271659444 [1,1,0,0,0,0|1,0,1]=4 453 B11R1.199 COCC(=O)C1=C(C=CS1)Br MCULE-2361566703 [1,1,0,0,0,0|1,1,0]=4 454 B11R1.199 COCC(=O)C1=C(C=CS1)C MCULE-6236578393 [1,1,0,0,0,0|1,1,0]=4 455 B11R1.25 CCC(=O)NCC1=CC=CO1 MCULE-2079627857 [1,1,0,0,0,0|1,0,1]=4 456 B11R1.25 CCC(=O)OCC1=CC=CO1 MCULE-9103529082 [1,1,0,0,0,0|1,0,1]=4 457 B11R1.25 CCC(=O)SCC1=CC=CO1 MCULE-3385976920 [1,1,0,0,0,0|1,0,1]=4 458 B11R1.25 COC(=O)/C=C/C1=CC=CN1 MCULE-7480502311 [1,1,0,0,0,0|1,0,1]=4 459 B11R1.25 COC(=O)/C=C/C1=CC=CS1 MCULE-5564124883 [1,1,0,0,0,0|0,1,1]=4 460 B11R1.25 COC(=O)C=CC1=CC=CN1 MCULE-2983330933 [1,1,0,0,0,0|1,0,1]=4 461 B11R1.25 COC(=O)C=CC1=CC=CS1 MCULE-8316070904 [1,1,0,0,0,0|0,1,1]=4 462 B11R1.25 COC(=O)CCC1=CC=CN1 MCULE-3378177183 [1,1,0,0,0,0|1,0,1]=4 463 B11R1.25 COC(=O)CCC1=CC=CS1 MCULE-2290836142 [1,1,0,0,0,0|0,1,1]=4 464 B11R1.25 NCC(=O)NCC1=CC=CO1 MCULE-9302287426 [1,1,0,0,0,0|1,0,1]=4 465 B11R1.25 NCC(=O)NCC1=CC=CO1 MCULE-9829892705 [1,1,0,0,0,0|1,0,1]=4 466 B11R1.25 NNC(=O)CCC1=CC=CO1 MCULE-2610803816 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.25 O=C(CBr)NCC1=CC=CO1 MCULE-1808192006 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.25 O=C(CCl)NCC1=CC=CO1 MCULE-5793211356 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.35 CC(=CC1=CC=CO1)C(=O)O MCULE-2925151764 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.35 CC(CC1=CC=CO1)C(=O)O MCULE-4967866488 [1,1,0,0,0,0|1,0,1]=4 471 B11R1.35 C[C@H](NC1=CC=CO1)C(=O)O MCULE-9956836124 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.35 NC(CC1=CC=CO1)C(=O)O MCULE-2615027072 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.35 NC(CC1=CC=CO1)C(=O)O MCULE-5961212744 [1,1,0,0,0,0|1,0,1]=4 474 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-2369724288 [1,1,0,0,0,0|1,0,1]=4 475 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-5803182238 [1,1,0,0,0,0|1,0,1]=4 476 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-5920888333 [1,1,0,0,0,0|1,0,1]=4 477 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-9717464601 [1,1,0,0,0,0|1,0,1]=4 478 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O MCULE-2460207628 [1,1,0,0,0,0|1,0,1]=4 479 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O MCULE-6984530934 [1,1,0,0,0,0|1,0,1]=4 480 B11R1.35 O=C(O)C(=CC1=CC=CO1)S MCULE-7963054894 [1,1,0,0,0,0|1,0,1]=4 481 B11R1.75 CC(=O)C=CC1=CC=C(O1)C MCULE-7777353808 [1,1,0,0,0,0|0,0,1]=3 482 B11R1.75 CC(=O)CCC1=CC=C(S1)Cl MCULE-1642922072 [1,1,0,0,0,0|0,1,1]=4 483 B11R1.75 CC1=CC=C(O1)/C=C/C(=O)Cl MCULE-3498227305 [1,1,0,0,0,0|1,0,1]=4 484 B11R1.75 CC1=CC=C(O1)/C=C/C(=O)O MCULE-7844851375 [1,1,0,0,0,0|1,0,1]=4 485 B11R1.75 CC1=CC=C(O1)C=CC(=O)Cl MCULE-6694263292 [1,1,0,0,0,0|1,0,1]=4 486 B11R1.75 CC1=CC=C(O1)C=CC(=O)N MCULE-4747615229 [1,1,0,0,0,0|1,0,1]=4 487 B11R1.75 CC1=CC=C(O1)C=CC(=O)O MCULE-2923544664 [1,1,0,0,0,0|1,0,1]=4 488 B11R1.75 CC1=CC=C(O1)CCC(=O)N MCULE-3566354504 [1,1,0,0,0,0|1,0,1]=4 489 B11R1.75 CC1=CC=C(O1)CCC(=O)O MCULE-6067365329 [1,1,0,0,0,0|1,0,1]=4 490 B11R1.75 O=C(O)/C=C/C1=CC=C(O1)Br MCULE-4754694343 [1,1,0,0,0,0|1,0,1]=4 491 B11R1.75 O=C(O)C=CC1=CC=C(O1)Br MCULE-4405271455 [1,1,0,0,0,0|1,0,1]=4 492 B11R1.75 O=C(O)C=CC1=CC=C(O1)I MCULE-6994174349 [1,1,0,0,0,0|1,0,1]=4 493 B11R1.89 C=C(C)C(=O)C1=C(C=CS1)Br MCULE-7762687723 [0,1,0,0,1,0|1,1,0]=4 494 B11R1.89 C=C(C)C(=O)C1=C(C=CS1)C MCULE-9115689518 [0,1,0,0,1,0|1,1,0]=4 495 B11R1.89 CN1C=CC=C1C(=O)C(=O)O MCULE-9280821727 [0,1,0,0,1,0|2,0,0]=4 496 B11R1.314 C=C(C)C(=O)C1=CC(=CS1)Br MCULE-2301120801 [0,1,0,0,1,0|1,1,0]=4 497 B11R1.314 C=C(C)C(=O)C1=CC=C(S1)Br MCULE-2131655707 [0,1,0,0,1,0|1,1,0]=4 498 B11R1.314 C=C(C)C(=O)C1=CC=C(S1)C MCULE-8481217422 [0,1,0,0,1,0|1,1,0]=4 499 B11R1.314 C=C(C)C(=O)C1=CC=C(S1)Cl MCULE-3743705804 [0,1,0,0,1,0|1,1,0]=4 500 B11R1.314 CC1=CC=C(O1)C(=O)C(C)C MCULE-7701927915 [0,1,0,0,1,0|1,0,1]=4 501 B11R1.314 CN(C)C(=O)C1=CC=C(O1)Br MCULE-3724069653 [0,1,0,0,1,0|2,0,0]=4 502 B11R1.314 O=C(O)C(=O)C1=CC=C(S1)Br MCULE-8370383819 [0,1,0,0,1,0|1,1,0]=4 503 B11R1.314 O=C(O)C(=O)C1=CC=C(S1)Cl MCULE-9143047721 [0,1,0,0,1,0|1,1,0]=4 504 B11R1.357 CC(C)(C)C(=O)C1=CC=CO1 MCULE-1382824355 [0,1,0,0,1,0|1,0,1]=4 505 B13R1.129 CC(=O)OCC(=O)C1=CC(=CS1)Br MCULE-3210279279 [0,1,0,0,0,1|0,1,0]=3 506 B13R1.129 CC(=O)OCC(=O)C1=CC=C(S1)Br MCULE-3157280484 [0,1,0,0,0,1|0,1,0]=3 507 B13R1.129 CC(=O)OCC(=O)C1=CC=C(S1)C MCULE-8504442394 [0,1,0,0,0,1|0,1,0]=3 508 B13R1.129 CC(=O)OCC(=O)C1=CC=C(S1)Cl MCULE-7930178394 [0,1,0,0,0,1|0,1,0]=3 509 B13R1.129 CC(C)CNC(=O)C1=CC=C(O1)Br MCULE-1297832201 [0,1,0,0,0,1|1,0,1]=4 510 B13R1.129 CC1=CC=C(O1)C(=O)CCN(C)C MCULE-1796750046 [0,1,0,0,0,1|2,0,0]=4 511 B13R1.129 CC1=CC=C(O1)C(=O)CCN(C)C MCULE-9041133242 [0,1,0,0,0,1|2,0,0]=4 512 B13R1.129 CC1=CC=C(O1)C(=O)NCC(=O)O MCULE-3553087096 [0,1,0,0,0,1|1,0,0]=3 513 B13R1.129 CC1=CC=C(O1)C(=O)NCC(C)C MCULE-8719112966 [0,1,0,0,0,1|1,0,1]=4 514 B13R1.129 CC1=CC=C(S1)C(=O)CCC(=O)O MCULE-4341280661 [0,1,0,0,0,1|1,1,0]=4 515 B13R1.129 CC1=CC=C(S1)C(=O)NCC(=O)O MCULE-5559672734 [0,1,0,0,0,1|1,1,0]=4 516 B13R1.129 O=C(O)CCC(=O)C1=CC=C(S1)Br MCULE-8213129297 [0,1,0,0,0,1|1,1,0]=4 517 B13R1.129 O=C(O)CCC(=O)C1=CC=C(S1)Cl MCULE-7408813509 [0,1,0,0,0,1|1,1,0]=4 518 B13R1.129 O=C(O)CNC(=O)C1=CC=C(O1)Br MCULE-8726485094 [0,1,0,0,0,1|1,0,0]=3 519 B13R1.129 O=C(O)CNC(=O)C1=CC=C(S1)Br MCULE-7915708969 [0,1,0,0,0,1|1,1,0]=4 520 B13R1.129 O=C(O)CNC(=O)C1=CC=C(S1)Cl MCULE-1065253275 [0,1,0,0,0,1|1,1,0]=4 521 B13R1.162 CNC(=O)ON=C(C)C1=CC=CO1 MCULE-6563750451 [0,1,0,0,0,1|2,0,0]=4 522 B13R1.162 CNC(=S)NNC(=O)C1=CC=CO1 MCULE-7259231097 [0,1,0,0,0,1|1,1,0]=4 523 B13R1.162 COC(=O)CCC(=O)C1=CC=CS1 MCULE-8779103814 [0,1,0,0,0,1|0,1,0]=3 524 B13R1.162 COC(=O)CCC(=O)C1=NC=CS1 MCULE-5900074227 [0,1,0,0,0,1|1,1,0]=4 525 B13R1.162 COC(=O)CNC(=O)C1=CC=CN1 MCULE-2623159460 [0,1,0,0,0,1|1,0,0]=3 526 B13R1.162 COC(=O)CNC(=O)C1=CC=CO1 MCULE-3754069643 [0,1,0,0,0,1|0,0,0]=2 527 B13R1.162 COC(=O)CNC(=O)C1=CC=CS1 MCULE-1009470311 [0,1,0,0,0,1|0,1,0]=3 528 B13R1.162 COC(=O)CNC(=O)C1=NNC=C1 MCULE-5741831049 [0,1,0,0,0,1|2,0,0]=4 529 B13R1.162 COC(=O)N/N=C(\C)/C1=CC=CO1 MCULE-6123456282 [0,1,0,0,0,1|2,0,0]=4 530 B13R1.162 COC(=O)NN=C(C)C1=CC=CO1 MCULE-1640853489 [0,1,0,0,0,1|2,0,0]=4 531 B13R1.162 NCC(=O)NCC(=O)C1=CC=CN1 MCULE-5342457540 [0,1,0,0,0,1|1,0,0]=3 532 B13R1.162 NCC(=O)NCC(=O)C1=CC=CO1 MCULE-5966483988 [0,1,0,0,0,1|0,0,0]=2 533 B13R1.162 NCC(=O)NCC(=O)C1=CC=CS1 MCULE-7360628809 [0,1,0,0,0,1|0,1,0]=3 534 B13R1.162 NCC(=O)NCC(=O)C1=NC=CS1 MCULE-1345726218 [0,1,0,0,0,1|1,1,0]=4 535 B13R1.162 NNC(=O)CNC(=O)C1=CC=CO1 MCULE-5383885879 [0,1,0,0,0,1|1,0,0]=3 536 B13R1.162 NNC(=O)CNC(=O)C1=CC=CS1 MCULE-7719673277 [0,1,0,0,0,1|1,1,0]=4 537 B13R1.162 O=C(CCl)NCC(=O)C1=CC=CN1 MCULE-6632636404 [0,1,0,0,0,1|1,0,0]=3 538 B13R1.162 O=C(CCl)NCC(=O)C1=CC=CO1 MCULE-5604721125 [0,1,0,0,0,1|0,0,0]=2 539 B13R1.162 O=C(CCl)NCC(=O)C1=CC=CS1 MCULE-7649349663 [0,1,0,0,0,1|0,1,0]=3 540 B13R1.162 O=C(CCl)NCC(=O)C1=NC=CS1 MCULE-8158493401 [0,1,0,0,0,1|1,1,0]=4 541 B13R1.162 O=C(CCl)NNC(=O)C1=CC=CS1 MCULE-9675967648 [0,1,0,0,0,1|1,1,0]=4 542 B13R1.168 CC(=O)OCC(=O)C1=C(C=CS1)Br MCULE-9370670633 [0,1,0,0,0,1|0,1,0]=3 543 B13R1.168 CC(=O)OCC(=O)C1=C(C=CS1)C MCULE-9710675154 [0,1,0,0,0,1|0,1,0]=3 544 B13R1.168 CC1=C(SC=C1)C(=O)CCC(=O)O MCULE-2557631638 [0,1,0,0,0,1|1,1,0]=4 545 B13R1.339 CC(C)C(=O)CC(=O)C1=CC=CO1 MCULE-8378162938 [0,1,0,0,0,1|1,0,1]=4 546 B13R1.339 CC(NC(=O)C1=CC=CO1)C(=O)O MCULE-5167073985 [0,1,0,0,0,1|1,0,0]=3 547 B13R1.339 CC(NC(=O)C1=CC=CS1)C(=O)O MCULE-7096705343 [0,1,0,0,0,1|1,1,0]=4 548 B13R1.339 C[C@H](NC(=O)C1=CC=CN1)C(=O)O MCULE-2284892246 [0,1,0,0,0,1|2,0,0]=4 549 B13R1.339 C[C@H](NC(=O)C1=CC=CO1)C(=O)O MCULE-2530205031 [0,1,0,0,0,1|1,0,0]=3 550 B13R1.339 NC(CC(=O)C1=CC=CS1)C(=O)O MCULE-3001867467 [0,1,0,0,0,1|1,1,0]=4 551 B13R1.339 O=C(O)C(=O)CC(=O)C1=CC=CO1 MCULE-7253681569 [0,1,0,0,0,1|1,0,0]=3 552 B13R1.339 O=C(O)C(=O)CC(=O)C1=CC=CS1 MCULE-5797623406 [0,1,0,0,0,1|1,1,0]=4 553 B13R1.340 CC(=O)NC(O)C(=O)C1=CC=CS1 MCULE-4715106610 [0,1,0,0,0,1|0,1,0]=3 554 B13R1.340 CN(CC(=O)O)C(=O)C1=CC=CO1 MCULE-1623160650 [0,1,0,0,0,1|1,0,0]=3 555 B13R1.340 CN(CC(=O)O)C(=O)C1=CC=CS1 MCULE-9642439000 [0,1,0,0,0,1|1,1,0]=4 556 B13R1.340 O=C(O)CC(Br)C(=O)C1=CC=CS1 MCULE-8075496553 [0,1,0,0,0,1|1,1,0]=4 557 B13R1.413 COC(CNC(=O)C)C1=CC=CO1 MCULE-4549929774 [0,1,0,0,0,1|0,0,2]=4 558 B13R1.11 CCC(=O)CC(=O)C1=CC=CC=C1 MCULE-7025242092 [0,1,0,0,0,1|1,0,0]=3 559 B13R1.11 CCC(=O)CC(=O)C1=CN=CC=C1 MCULE-1380572333 [0,1,0,0,0,1|1,0,0]=3 560 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 MCULE-4382256232 [0,1,0,0,0,1|1,0,0]=3 561 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 MCULE-5671517563 [0,1,0,0,0,1|1,0,0]=3 562 B13R1.11 COC(=O)CC(=O)C1=CC=NC=C1 MCULE-1799866852 [0,1,0,0,0,1|1,0,0]=3 563 B13R1.11 COC(=O)CC(=O)C1=CN=CC=C1 MCULE-5560522885 [0,1,0,0,0,1|1,0,0]=3 564 B13R1.11 COC(=O)CC(=O)C1=CN=CN=C1 MCULE-9162497248 [0,1,0,0,0,1|2,0,0]=4 565 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 MCULE-1866704365 [0,1,0,0,0,1|1,0,0]=3 566 B13R1.11 COC(=O)CC(=O)C1=NC=CN=C1 MCULE-8482195990 [0,1,0,0,0,1|1,0,0]=3 567 B13R1.11 COC(=O)CC(=O)N1C=CC=CC1 MCULE-7562290263 [0,1,0,0,0,1|2,0,0]=4 568 B13R1.11 COC(=O)CS(=O)C1=CC=CC=C1 MCULE-8036374929 [0,1,0,0,0,1|2,0,0]=4 569 B13R1.11 O=C(CCl)NC(=O)C1=CC=CC=C1 MCULE-8624341331 [0,1,0,0,0,1|2,0,0]=4 570 B13R1.11 O=C(CO)NC(=O)C1=CC=CC=C1 MCULE-7911003538 [0,1,0,0,0,1|2,0,0]=4 571 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Br MCULE-1970411913 [0,1,0,0,0,1|1,0,0]=3 572 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)C MCULE-3747399879 [0,1,0,0,0,1|1,0,0]=3 573 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl MCULE-9783614240 [0,1,0,0,0,1|1,0,0]=3 574 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F MCULE-6529086439 [0,1,0,0,0,1|1,0,0]=3 575 B13R1.132 CC(=O)CC(=O)C1=CC=C(N=C1)C MCULE-1988028390 [0,1,0,0,0,1|1,0,0]=3 576 B13R1.132 CC(=O)CC(=O)C1=CC=C(N=C1)Cl MCULE-2889935821 [0,1,0,0,0,1|1,0,0]=3 577 B13R1.132 NC(=O)CC(=O)C1=CC=C(C=C1)F MCULE-4752037713 [0,1,0,0,0,1|2,0,0]=4 578 B13R1.132 O=C(O)CC(=O)C1=CC=C(C=C1)F MCULE-8869002731 [0,1,0,0,0,1|2,0,0]=4 579 B13R1.132 O=C(O)CC(=O)C1=CC=C(C=C1)O MCULE-4533243268 [0,1,0,0,0,1|2,0,0]=4 580 B13R1.147 CC(=O)CC(=O)C1=CC(=CC=C1)C MCULE-8322090894 [0,1,0,0,0,1|1,0,0]=3 581 B13R1.147 CC(=O)CC(=O)C1=CC(=CC=C1)Cl MCULE-5643530588 [0,1,0,0,0,1|1,0,0]=3 582 B13R1.147 CC(=O)CC(=O)C1=CC(=CN=C1)Br MCULE-1711854625 [0,1,0,0,0,1|1,0,0]=3 583 B13R1.147 CC(=O)CC(=O)C1=CC(=NC=C1)Cl MCULE-6597545085 [0,1,0,0,0,1|1,0,0]=3 584 B13R1.147 CC(=O)CC(=O)C1=NC(=CC=C1)C MCULE-8186746654 [0,1,0,0,0,1|1,0,0]=3 585 B13R1.147 O=C(O)CC(=O)C1=CC=CC(=C1)Cl MCULE-6594828977 [0,1,0,0,0,1|2,0,0]=4 586 B13R1.152 CC(=O)C(C)C(=O)C1=CC=CC=C1 MCULE-5242076511 [0,1,0,0,0,1|1,0,0]=3 587 B13R1.152 CC(C(=O)O)C(=O)C1=CC=CC=C1 MCULE-2353668236 [0,1,0,0,0,1|2,0,0]=4 588 B13R1.201 CC(=O)CC(=O)C1=C(C=CC=C1)Br MCULE-2737241459 [0,1,0,0,0,1|1,0,0]=3 589 B13R1.201 CC(=O)CC(=O)C1=C(C=CC=C1)Cl MCULE-2583207227 [0,1,0,0,0,1|1,0,0]=3 590 B13R1.201 CC(=O)CC(=O)C1=C(C=CC=C1)F MCULE-4656353581 [0,1,0,0,0,1|1,0,0]=3 591 B13R1.201 CC(=O)CC(=O)C1=C(C=CC=C1)O MCULE-1995801466 [0,1,0,0,0,1|1,0,0]=3 592 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1C MCULE-8100231015 [0,1,0,0,0,1|1,0,0]=3 593 B13R1.201 CC(=O)CC(=O)C1=CC=NC=C1Cl MCULE-8481514773 [0,1,0,0,0,1|1,0,0]=3 594 B13R1.201 CC(=O)NC(=O)C1=C(C=CC=C1)O MCULE-4595234522 [0,1,0,0,0,1|2,0,0]=4 595 B13R1.201 CS(=O)CC(=O)C1=CC=CC=C1O MCULE-5150119731 [0,1,0,0,0,1|2,0,0]=4 596 B13R1.201 O=C(O)CC(=O)C1=CC=CC=C1Cl MCULE-2599664916 [0,1,0,0,0,1|2,0,0]=4 597 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 MCULE-4502258369 [0,1,0,0,0,1|2,0,0]=4 598 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 MCULE-7959927198 [0,1,0,0,0,1|2,0,0]=4 599 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=NC=C1 MCULE-6918667611 [0,1,0,0,0,1|2,0,0]=4 600 B13R1.352 CS(=O)(=O)CC(=O)C1=CN=CC=C1 MCULE-3087453415 [0,1,0,0,0,1|2,0,0]=4 601 B13R1.352 CS(=O)(=O)CC(=O)C1=NC=CC=C1 MCULE-9304033272 [0,1,0,0,0,1|2,0,0]=4 602 B13R1.545 COC(=O)CC(=O)CC1=CSC=C1 MCULE-9509346749 [0,1,0,0,0,1|2,0,0]=4 603 B13R1.3424 CC(=O)CC(=O)NC1=NNC(=C1)C MCULE-9196449198 [0,1,0,0,0,1|2,0,0]=4 604 B13R1.3424 CC(=O)CC(=O)NC1=NOC(=C1)C MCULE-5383450325 [0,1,0,0,0,1|2,0,0]=4 605 B13R1.10 COC(=O)CC(=O)C1=CC=C(O1)C MCULE-4430934478 [0,2,0,0,0,0|0,0,0]=2 606 B13R1.10 COC(=O)C[C@@H](N)C1=CC=C(O1)Br MCULE-1178083906 [0,2,0,0,0,0|1,0,1]=4 607 B13R1.10 COC(=O)C[C@@H](N)C1=CC=C(O1)Br MCULE-6094614110 [0,2,0,0,0,0|1,0,1]=4 608 B13R1.10 COC(=O)C[C@@H](N)C1=CC=C(O1)C MCULE-1321308238 [0,2,0,0,0,0|1,0,1]=4 609 B13R1.10 COC(=O)C[C@@H](N)C1=CC=C(O1)C MCULE-4808569616 [0,2,0,0,0,0|1,0,1]=4 610 B13R1.10 COC(=O)C[C@@H](N)C1=CC=C(O1)Cl MCULE-2438713213 [0,2,0,0,0,0|1,0,1]=4 611 B13R1.10 COC(=O)C[C@@H](N)C1=CC=C(O1)Cl MCULE-3260229844 [0,2,0,0,0,0|1,0,1]=4 612 B13R1.10 COC(=O)C[C@H](N)C1=CC=C(O1)Br MCULE-9556025142 [0,2,0,0,0,0|1,0,1]=4 613 B13R1.10 COC(=O)C[C@H](N)C1=CC=C(O1)Br MCULE-9604805050 [0,2,0,0,0,0|1,0,1]=4 614 B13R1.10 COC(=O)C[C@H](N)C1=CC=C(O1)C MCULE-1051604307 [0,2,0,0,0,0|1,0,1]=4 615 B13R1.10 COC(=O)C[C@H](N)C1=CC=C(O1)C MCULE-5730678129 [0,2,0,0,0,0|1,0,1]=4 616 B13R1.10 COC(=O)C[C@H](N)C1=CC=C(O1)Cl MCULE-7069988185 [0,2,0,0,0,0|1,0,1]=4 617 B13R1.10 COC(=O)C[C@H](N)C1=CC=C(O1)Cl MCULE-8466136392 [0,2,0,0,0,0|1,0,1]=4 618 B13R1.33 CCOC(=O)CC(=O)C1=CC=CN1 MCULE-6889178705 [0,2,0,0,0,0|1,0,0]=3 619 B13R1.33 CCOC(=O)CC(=O)C1=CC=CO1 MCULE-9981718130 [0,2,0,0,0,0|0,0,0]=2 620 B13R1.33 CCOC(=O)CC(=O)C1=CC=CS1 MCULE-9648522742 [0,2,0,0,0,0|0,1,0]=3 621 B13R1.33 CCOC(=O)CC(=O)C1=CN=CS1 MCULE-4707161724 [0,2,0,0,0,0|1,1,0]=4 622 B13R1.33 CCOC(=O)CC(=O)C1=CNC=C1 MCULE-3673873187 [0,2,0,0,0,0|2,0,0]=4 623 B13R1.33 CCOC(=O)CC(=O)C1=COC=C1 MCULE-8536737152 [0,2,0,0,0,0|2,0,0]=4 624 B13R1.33 CCOC(=O)CC(=O)C1=CSC=C1 MCULE-1689213616 [0,2,0,0,0,0|2,0,0]=4 625 B13R1.33 CCOC(=O)CC(=O)C1=NC=CS1 MCULE-4939869463 [0,2,0,0,0,0|1,1,0]=4 626 B13R1.33 CCOC(=O)C[C@@H](N)C1=CC=CO1 MCULE-2355872677 [0,2,0,0,0,0|1,0,1]=4 627 B13R1.33 CCOC(=O)C[C@@H](N)C1=CC=CO1 MCULE-5682048488 [0,2,0,0,0,0|1,0,1]=4 628 B13R1.33 CCOC(=O)C[C@H](N)C1=CC=CO1 MCULE-4878809312 [0,2,0,0,0,0|1,0,1]=4 629 B13R1.33 CCOC(=O)C[C@H](N)C1=CC=CO1 MCULE-5234779874 [0,2,0,0,0,0|1,0,1]=4 630 B13R1.33 CN(CCN)CC(=O)C1=CC=CO1 MCULE-4400605764 [0,2,0,0,0,0|2,0,0]=4 631 B13R1.33 CN(CCO)CC(=O)C1=CC=CO1 MCULE-3103198110 [0,2,0,0,0,0|1,0,1]=4 632 B13R1.65 CSC(=CC(=O)C1=CC=CO1)SC MCULE-1736916120 [0,2,0,0,0,0|0,1,1]=4 633 B13R1.65 CSC(=CC(=O)C1=CC=CO1)SC MCULE-5817493264 [0,2,0,0,0,0|0,1,1]=4 634 B13R1.83 COC(=O)C(C)C(=O)C1=CC=CS1 MCULE-9700353937 [0,2,0,0,0,0|0,1,0]=3 635 B13R1.439 CN1C=CC=C1C(=O)NC(=O)CCl MCULE-5021214357 [0,2,0,0,0,0|2,0,0]=4 636 B13R1.439 COC(=O)CC(=O)C1=NC=CN1C MCULE-1162671055 [0,2,0,0,0,0|2,0,0]=4 637 B13R1.3428 CC(=O)CC(C)(C)C1=CC=C(O1)C MCULE-1995191598 [0,2,0,0,0,0|1,0,1]=4 638 B13R1.1113 O=C(O)CC(C(=O)O)C1=CC=CO1 MCULE-2994120133 [0,2,0,0,0,0|1,0,1]=4 639 B11R1.156 CC(=O)C1=C(C=CC=C1Br)O MCULE-2459977440 [0,0,1,1,0,0|1,0,1]=4 640 B11R1.156 CC(=O)C1=C(C=CC=C1O)C MCULE-2278824911 [0,0,1,1,0,0|1,0,1]=4 641 B11R1.156 CC(=O)C1=C(C=CC=C1O)Cl MCULE-4237842987 [0,0,1,1,0,0|1,0,1]=4 642 B11R1.156 CC(=O)C1=C(C=CC=C1O)F MCULE-2994376199 [0,0,1,1,0,0|1,0,1]=4 643 B11R1.156 CC(=O)C1=C(C=CC=C1O)O MCULE-4595729640 [0,0,1,1,0,0|0,0,2]=4 644 B11R1.156 CC(=O)C1=C(C=CNC1=O)O MCULE-6194800819 [0,0,1,1,0,0|1,0,1]=4 645 B11R1.157 C=C(C)CC1=CC(=CC=C1)O MCULE-1563941729 [0,0,1,1,0,0|2,0,0]=4 646 B11R1.157 CC(=O)CC1=CC(=CC=C1)Br MCULE-6613122699 [0,0,1,1,0,0|2,0,0]=4 647 B11R1.157 CC(=O)CC1=CC(=CC=C1)C MCULE-9504071522 [0,0,1,1,0,0|2,0,0]=4 648 B11R1.157 CC(=O)CC1=CC(=CC=C1)Cl MCULE-5254937937 [0,0,1,1,0,0|2,0,0]=4 649 B11R1.157 CC(=O)CC1=CC(=CC=C1)F MCULE-5565162161 [0,0,1,1,0,0|2,0,0]=4 650 B11R1.157 CC(=O)CC1=NC(=CC=C1)C MCULE-7423504135 [0,0,1,1,0,0|2,0,0]=4 651 B11R1.157 CC(=O)NC1=CC=CC(=C1)O MCULE-1526482888 [0,0,1,1,0,0|2,0,0]=4 652 B11R1.157 CC(=O)NC1=CC=CC(=N1)O MCULE-7702760416 [0,0,1,1,0,0|2,0,0]=4 653 B11R1.157 CC(=O)OC1=CC=CC(=C1)O MCULE-2461200915 [0,0,1,1,0,0|2,0,0]=4 654 B11R1.157 NC(=O)CC1=CC(=CC=C1)O MCULE-1872245405 [0,0,1,1,0,0|2,0,0]=4 655 B11R1.157 O=C(Cl)CC1=CC=CC(=C1)O MCULE-2714253008 [0,0,1,1,0,0|2,0,0]=4 656 B11R1.157 O=C(O)CC1=CC(=CC=C1)O MCULE-7425540066 [0,0,1,1,0,0|2,0,0]=4 657 B11R1.157 O=C(O)CC1=CC=CC(=N1)O MCULE-1446795458 [0,0,1,1,0,0|2,0,0]=4 658 B11R1.86 CC(=O)CC1=C(C=CC=C1)C MCULE-9820796471 [0,0,1,1,0,0|2,0,0]=4 659 B11R1.86 CC(=O)CC1=C(C=CC=C1)F MCULE-8585489510 [0,0,1,1,0,0|2,0,0]=4 660 B11R1.86 CC(=O)CC1=C(C=CC=C1)I MCULE-4542421041 [0,0,1,1,0,0|2,0,0]=4 661 B11R1.86 CC(=O)CC1=C(C=CC=N1)Cl MCULE-8205210813 [0,0,1,1,0,0|2,0,0]=4 662 B11R1.86 CC(=O)CC1=CC=CC=C1Br MCULE-4564996057 [0,0,1,1,0,0|2,0,0]=4 663 B11R1.86 CC(=O)CC1=CC=CC=C1Cl MCULE-3810531384 [0,0,1,1,0,0|2,0,0]=4 664 B11R1.86 CC(=O)CC1=CC=CC=C1O MCULE-6749216407 [0,0,1,1,0,0|1,0,0]=3 665 B11R1.86 CC(=O)CC1=NC=CC=C1C MCULE-6420535756 [0,0,1,1,0,0|2,0,0]=4 666 B11R1.86 CC(=O)NC1=CC=CC=C1O MCULE-7089291216 [0,0,1,1,0,0|2,0,0]=4 667 B11R1.86 CC(=O)NC1=NC=CC=C1O MCULE-7196357288 [0,0,1,1,0,0|2,0,0]=4 668 B11R1.86 NC(=O)CC1=CC=CC=C1O MCULE-2645715128 [0,0,1,1,0,0|2,0,0]=4 669 B11R1.86 O=C(O)CC1=C(C=CC=C1)O MCULE-1517169773 [0,0,1,1,0,0|2,0,0]=4 670 B11R1.86 O=C(O)CC1=NC=CC=C1O MCULE-7203302758 [0,0,1,1,0,0|2,0,0]=4 671 B11R1.86 O=C([O-])CC1=CC=CC=C1O MCULE-2898464164 [0,0,1,1,0,0|2,0,0]=4 672 B11R1.159 CC(=O)C1=C(C(=CC=C1)O)Cl MCULE-5019459398 [0,0,1,1,0,0|1,0,1]=4 673 B11R1.159 CC(=O)C1=C(C(=CC=C1)O)F MCULE-5165169871 [0,0,1,1,0,0|1,0,1]=4 674 B11R1.159 CC(=O)C1=CC=CC(=C1Br)O MCULE-3693209119 [0,0,1,1,0,0|1,0,1]=4 675 B11R1.159 CC(=O)C1=CC=CC(=C1C)O MCULE-1984566197 [0,0,1,1,0,0|1,0,1]=4 676 B11R1.159 CC(=O)C1=CC=CC(=C1N)O MCULE-7545684034 [0,0,1,1,0,0|1,0,1]=4 677 B11R1.159 CC(=O)C1=CC=CC(=C1O)O MCULE-2997847622 [0,0,1,1,0,0|0,0,2]=4 678 B11R1.673 CC(=O)C1C(=O)C=C(C1=O)C MCULE-3393820020 [0,0,1,1,0,0|2,0,0]=4 679 B11R2.2 C1=COC(=C1)C2=NCCC2 MCULE-9951003779 [1,0,0,1,0,0|1,0,1]=4 680 B11R2.106 O=C1CCCC2=C1NC=C2 MCULE-3701981677 [1,0,0,1,0,0|1,0,1]=4 681 B11R2.106 O=C1CCCC2=C1OC=C2 MCULE-2864160570 [1,0,0,1,0,0|0,0,1]=3 682 B11R2.106 O=C1CCCC2=C1SC=C2 MCULE-7284338598 [1,0,0,1,0,0|0,1,1]=4 683 B11R2.106 O=C1CCCN2C1=CC=C2 MCULE-5659837451 [1,0,0,1,0,0|1,0,1]=4 684 B11R2.106 O=C1NC=CC2=C1OC=C2 MCULE-7329413606 [1,0,0,1,0,0|1,0,1]=4 685 B11R2.106 O=C1NC=NC2=C1OC=C2 MCULE-3618283323 [1,0,0,1,0,0|2,0,0]=4 686 B11R2.202 O=C1OC(=O)C2=C1C=CS2 MCULE-5516594702 [1,0,0,1,0,0|1,1,0]=4 687 B11R2.1031 O=C(C1=CC=CO1)C2CC2 MCULE-6910344354 [1,0,0,1,0,0|0,0,1]=3 688 B11R2.1031 O=C(C1=CC=CS1)C2CC2 MCULE-3010838905 [1,0,0,1,0,0|0,1,1]=4 689 B11R2.36 CC1=CC2=C(C=C1)OC=C2 MCULE-2475611374 [1,0,0,1,0,0|1,0,1]=4 690 B11R2.36 O=C1CCC2=C(C1)C=CN2 MCULE-4113637130 [1,0,0,1,0,0|1,0,1]=4 691 B11R2.36 O=C1CCC2=C(C1)C=CS2 MCULE-9504436564 [1,0,0,1,0,0|0,1,1]=4 692 B13R2.166 O=C1CCC(=O)C2=C(N1)C=CS2 MCULE-7845223010 [0,0,0,1,0,1|1,1,0]=4 693 B13R2.166 O=C1CNC(=O)C2=C(N1)C=CN2 MCULE-4346799130 [0,0,0,1,0,1|2,0,0]=4 694 B13R2.443 O=C(CNC1CC1)C2=CC=CO2 MCULE-9562754084 [0,0,0,1,0,1|1,0,1]=4 695 B13R2.443 O=C(NCC1CC1)C2=CC=CO2 MCULE-2189041144 [0,0,0,1,0,1|1,0,1]=4 696 B13R2.328 CC1=NC2=CC=CC=C2C(=O)C1 MCULE-2993908567 [0,0,0,1,0,1|2,0,0]=4 697 B13R2.328 O=C1CC(=O)C2=C(N1)C=CC=C2 MCULE-4231191927 [0,0,0,1,0,1|2,0,0]=4 698 B13R2.328 O=C1CC(=O)C2=CC=CC=C2O1 MCULE-7503708238 [0,0,0,1,0,1|2,0,0]=4 699 B13R2.328 O=C1CC(=O)C2=NC=CC=C2N1 MCULE-4275591133 [0,0,0,1,0,1|2,0,0]=4 700 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 MCULE-1375045876 [0,0,0,1,0,1|2,0,0]=4 701 B13R2.328 O=C1CC2=C(C=CN=C2)C(=O)N1 MCULE-5345478204 [0,0,0,1,0,1|2,0,0]=4 702 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 MCULE-1752890442 [0,0,0,1,0,1|2,0,0]=4 703 B13R2.2978 CC(=O)C1CC1C2=CC=C(O2)C MCULE-7267848733 [0,1,0,1,0,0|1,0,1]=4 704 B13R2.3742 CC1=CSC2=C1NC(=O)CC2=O MCULE-8440273211 [0,1,0,1,0,0|1,1,0]=4 705 B13R2.5232 CC1(CC(=O)C2=C(C1)C=CO2)C MCULE-6358577648 [0,1,0,1,0,0|1,0,1]=4 706 B9R1.13 BrC(=CC1=CC=CO1)Br MCULE-3343272789 [1,0,0,0,1,0|2,0,0]=4 707 B9R1.13 C=C(C)CC1=CC=CO1 MCULE-4120425400 [1,0,0,0,1,0|1,0,0]=3 708 B9R1.13 C=C(C)CC1=CC=CS1 MCULE-7442921300 [1,0,0,0,1,0|1,1,0]=4 709 B9R1.13 CC(=O)CC1=CC=CO1 MCULE-3781634843 [1,0,0,0,1,0|0,0,0]=2 710 B9R1.13 CC(=O)CC1=CC=CS1 MCULE-9004703203 [1,0,0,0,1,0|0,1,0]=3 711 B9R1.13 CC(=O)CC1=CC=NO1 MCULE-9545444993 [1,0,0,0,1,0|1,0,0]=3 712 B9R1.13 CC(=O)CC1=CN=CS1 MCULE-8783347852 [1,0,0,0,1,0|1,1,0]=4 713 B9R1.13 CC(=O)CC1=COC=C1 MCULE-2428760368 [1,0,0,0,1,0|2,0,0]=4 714 B9R1.13 CC(=O)CC1=CSC=C1 MCULE-1364443363 [1,0,0,0,1,0|2,0,0]=4 715 B9R1.13 CC(=O)CN1C=CC=N1 MCULE-2312268519 [1,0,0,0,1,0|2,0,0]=4 716 B9R1.13 CC(=O)CN1C=CC=N1 MCULE-7407119287 [1,0,0,0,1,0|2,0,0]=4 717 B9R1.13 CC(=O)NC1=CC=CO1 MCULE-6766243633 [1,0,0,0,1,0|1,0,0]=3 718 B9R1.13 CC(=O)NC1=CC=CS1 MCULE-2977108636 [1,0,0,0,1,0|1,1,0]=4 719 B9R1.13 CC(N)CC1=CC=CO1 MCULE-3146116219 [1,0,0,0,1,0|1,0,1]=4 720 B9R1.13 CC(N)CC1=CC=CO1 MCULE-4578762065 [1,0,0,0,1,0|1,0,1]=4 721 B9R1.13 CC(O)CC1=CC=CO1 MCULE-5714080569 [1,0,0,0,1,0|0,0,2]=4 722 B9R1.13 CN(C)CC1=CC=CO1 MCULE-6961476261 [1,0,0,0,1,0|2,0,0]=4 723 B9R1.13 NC(=O)CC1=CC=CS1 MCULE-6510920095 [1,0,0,0,1,0|1,1,0]=4 724 B9R1.13 O=C(Cl)CC1=CC=CO1 MCULE-9542407975 [1,0,0,0,1,0|1,0,0]=3 725 B9R1.13 O=C(Cl)CC1=CC=CS1 MCULE-3077784578 [1,0,0,0,1,0|1,1,0]=4 726 B9R1.13 O=C(O)CC1=CC=CN1 MCULE-7285438888 [1,0,0,0,1,0|2,0,0]=4 727 B9R1.13 O=C(O)CC1=CC=CO1 MCULE-8441709842 [1,0,0,0,1,0|1,0,0]=3 728 B9R1.13 O=C(O)CC1=CC=CS1 MCULE-7149489344 [1,0,0,0,1,0|1,1,0]=4 729 B9R1.13 O=C(O)CC1=CC=NO1 MCULE-1530103657 [1,0,0,0,1,0|2,0,0]=4 730 B9R1.13 O=C(O)CC1=CN=CO1 MCULE-6840081660 [1,0,0,0,1,0|2,0,0]=4 731 B11R1.16 C/C=C/C(=O)C1=CC=CC=C1 MCULE-4439886688 [1,0,0,0,0,1|1,0,1]=4 732 B11R1.16 C=CCC(=O)C1=CC=CC=C1 MCULE-1566538587 [1,0,0,0,0,1|1,0,1]=4 733 B11R1.16 CC=CC(=O)C1=CC=CC=C1 MCULE-2573823413 [1,0,0,0,0,1|1,0,1]=4 734 B11R1.16 CCCC(=O)C1=CC=CC=C1 MCULE-1952839528 [1,0,0,0,0,1|1,0,1]=4 735 B11R1.16 CCCC(=O)C1=CC=NC=C1 MCULE-7514261906 [1,0,0,0,0,1|1,0,1]=4 736 B11R1.16 CCCC(=O)C1=CN=CC=C1 MCULE-1516047070 [1,0,0,0,0,1|1,0,1]=4 737 B11R1.16 CCCC(=O)C1=NC=CC=C1 MCULE-4071192897 [1,0,0,0,0,1|1,0,1]=4 738 B11R1.16 CCCC(=O)C1=NC=CN=C1 MCULE-7729859825 [1,0,0,0,0,1|1,0,1]=4 739 B11R1.16 CNCC(=O)C1=CC=CC=C1 MCULE-2817634552 [1,0,0,0,0,1|2,0,0]=4 740 B11R1.16 CNCC(=O)C1=CC=CC=C1 MCULE-5502207009 [1,0,0,0,0,1|2,0,0]=4 741 B11R1.16 CNCC(=O)C1=NC=CN=C1 MCULE-8614969199 [1,0,0,0,0,1|2,0,0]=4 742 B11R1.16 COCC(=O)C1=CC=CC=C1 MCULE-8769197697 [1,0,0,0,0,1|2,0,0]=4 743 B11R1.16 COCC(=O)C1=NC=CC=C1 MCULE-7210505014 [1,0,0,0,0,1|2,0,0]=4 744 B11R1.16 CSCC(=O)C1=CC=CC=C1 MCULE-7648778932 [1,0,0,0,0,1|2,0,0]=4 745 B11R1.16 O=CCC(=O)C1=CC=CC=C1 MCULE-1410979980 [1,0,0,0,0,1|1,0,0]=3 746 B11R1.30 CCCC(=O)CC1=CC=CO1 MCULE-8562007175 [1,0,0,0,0,1|0,0,1]=3 747 B11R1.30 CCOC(=O)CC1=CC=CO1 MCULE-3422077571 [1,0,0,0,0,1|1,0,1]=4 748 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 MCULE-4879858540 [1,0,0,0,0,1|1,0,1]=4 749 B11R1.91 CC(=O)C=CC1=CC=CC=C1 MCULE-5202944660 [1,0,0,0,0,1|1,0,1]=4 750 B11R1.91 CC(=O)C=CC1=CC=NC=C1 MCULE-8574000031 [1,0,0,0,0,1|1,0,1]=4 751 B11R1.91 CC(=O)C=CC1=CC=[NH+]C=C1 MCULE-7155207460 [1,0,0,0,0,1|1,0,1]=4 752 B11R1.91 CC(=O)CCC1=CC=CC=C1 MCULE-1136231603 [1,0,0,0,0,1|1,0,1]=4 753 B11R1.91 CC(=O)CCC1=CN=CC=C1 MCULE-8978954109 [1,0,0,0,0,1|1,0,1]=4 754 B11R1.91 CC(=O)CCC1=NC=CC=C1 MCULE-2250801533 [1,0,0,0,0,1|1,0,1]=4 755 B11R1.91 CC(=O)COC1=CC=CC=C1 MCULE-8124389556 [1,0,0,0,0,1|2,0,0]=4 756 B11R1.91 CC(=O)COC1=NC=CC=C1 MCULE-9843455535 [1,0,0,0,0,1|2,0,0]=4 757 B11R1.91 CC(=O)CSC1=CC=CC=C1 MCULE-8704732850 [1,0,0,0,0,1|2,0,0]=4 758 B11R1.172 CC(=O)CSCC1=CC=CO1 MCULE-8946739392 [1,0,0,0,0,1|0,0,1]=3 759 B11R1.172 CC(=O)NN=CC1=CC=CO1 MCULE-5071283682 [1,0,0,0,0,1|1,0,0]=3 760 B11R1.172 O=C(O)CNCC1=CC=CO1 MCULE-3294949215 [1,0,0,0,0,1|1,0,1]=4 761 B11R1.172 O=C(O)COCC1=CC=CO1 MCULE-2722649918 [1,0,0,0,0,1|1,0,1]=4 762 B11R1.172 O=C(O)CSCC1=CC=CO1 MCULE-2797657778 [1,0,0,0,0,1|1,0,1]=4 763 B11R1.172 O=C([O-])COCC1=CC=CO1 MCULE-3260300210 [1,0,0,0,0,1|1,0,1]=4 764 B11R1.172 O=N(=O)C/C=C/C1=CC=CO1 MCULE-6756766903 [1,0,0,0,0,1|2,0,0]=4 765 B11R1.36 C=C(C)C(=O)C1=CC=CC=C1 MCULE-8641510738 [0,0,0,0,1,1|2,0,0]=4 766 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 MCULE-5571144917 [0,0,0,0,1,1|1,0,0]=3 767 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 MCULE-8930488500 [0,0,0,0,1,1|2,0,0]=4 768 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 MCULE-9114449089 [0,0,0,0,1,1|2,0,0]=4 769 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 MCULE-3222192839 [0,0,0,0,1,1|2,0,0]=4 770 B11R1.36 O=C([O-])C(=O)C1=CC=CC=C1 MCULE-2177521486 [0,0,0,0,1,1|2,0,0]=4 771 B11R1.36 O=C([O-])C(=O)C1=CC=CC=N1 MCULE-6126957711 [0,0,0,0,1,1|2,0,0]=4 772 B11R1.36 O=C([O-])C(=O)C1=CC=CC=N1 MCULE-9946713163 [0,0,0,0,1,1|2,0,0]=4 773 B13R1.45 C=C(C)COC(=O)C1=CC=CC=C1 MCULE-5785891494 [0,0,0,0,0,2|2,0,0]=4 774 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 MCULE-7185754790 [0,0,0,0,0,2|1,0,0]=3 775 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=N1 MCULE-1169430338 [0,0,0,0,0,2|1,0,0]=3 776 B13R1.45 CC(=O)CCC(=O)C1=CC=CN=C1 MCULE-3509234910 [0,0,0,0,0,2|1,0,0]=3 777 B13R1.45 CC(=O)CCC(=O)C1=CC=NC=C1 MCULE-3146867730 [0,0,0,0,0,2|1,0,0]=3 778 B13R1.45 CC(=O)CNC(=O)C1=CC=CC=C1 MCULE-9561319105 [0,0,0,0,0,2|1,0,0]=3 779 B13R1.45 CC(=O)COC(=O)C1=CC=CC=C1 MCULE-2410376645 [0,0,0,0,0,2|1,0,0]=3 780 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 MCULE-6763642123 [0,0,0,0,0,2|2,0,0]=4 781 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=N1 MCULE-4569522358 [0,0,0,0,0,2|2,0,0]=4 782 B13R1.45 CC(=O)NNC(=O)C1=CC=NC=C1 MCULE-7421628501 [0,0,0,0,0,2|2,0,0]=4 783 B13R1.45 CC(=O)NNC(=O)C1=CN=CC=C1 MCULE-6787591479 [0,0,0,0,0,2|2,0,0]=4 784 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 MCULE-6090896883 [0,0,0,0,0,2|1,0,0]=3 785 B13R1.45 CC(=O)OCC(=O)C1=NC=CC=C1 MCULE-6065907381 [0,0,0,0,0,2|1,0,0]=3 786 B13R1.45 CC(=O)SCC(=O)C1=CC=CC=C1 MCULE-6655287902 [0,0,0,0,0,2|1,0,0]=3 787 B13R1.45 CC(=S)SCC(=O)C1=CC=CC=C1 MCULE-7650452391 [0,0,0,0,0,2|1,1,0]=4 788 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 MCULE-1126824260 [0,0,0,0,0,2|2,0,0]=4 789 B13R1.45 NC(=O)CNC(=O)C1=CC=NC=C1 MCULE-4842402008 [0,0,0,0,0,2|2,0,0]=4 790 B13R1.45 O=C(Cl)CNC(=O)C1=CC=CC=C1 MCULE-6200370246 [0,0,0,0,0,2|2,0,0]=4 791 B13R1.45 O=C(Cl)COC(=O)C1=CC=CC=C1 MCULE-8715758472 [0,0,0,0,0,2|2,0,0]=4 792 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 MCULE-2271267445 [0,0,0,0,0,2|2,0,0]=4 793 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 MCULE-9218064287 [0,0,0,0,0,2|2,0,0]=4 794 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 MCULE-5354097885 [0,0,0,0,0,2|2,0,0]=4 795 B13R1.45 O=C(O)CCC(=O)C1=NC=CC=C1 MCULE-4148866271 [0,0,0,0,0,2|2,0,0]=4 796 B13R1.45 O=C(O)CCC(=O)C1=NC=CC=C1 MCULE-4643360404 [0,0,0,0,0,2|2,0,0]=4 797 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 MCULE-2214602350 [0,0,0,0,0,2|2,0,0]=4 798 B13R1.45 O=C(O)CNC(=O)C1=CC=C[NH+]=C1 MCULE-2334015826 [0,0,0,0,0,2|2,0,0]=4 799 B13R1.45 O=C(O)CNC(=O)C1=CC=NC=C1 MCULE-1163809665 [0,0,0,0,0,2|2,0,0]=4 800 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 MCULE-2257741698 [0,0,0,0,0,2|2,0,0]=4 801 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=N1 MCULE-8922720745 [0,0,0,0,0,2|2,0,0]=4 802 B13R1.45 O=C(O)CNC(=O)C1=NC=CC=C1 MCULE-4073681274 [0,0,0,0,0,2|2,0,0]=4 803 B13R1.45 O=C(O)COC(=O)C1=CC=CN=C1 MCULE-6985615485 [0,0,0,0,0,2|2,0,0]=4 804 B13R1.45 O=C(O)CSC(=O)C1=CC=CC=C1 MCULE-5202964730 [0,0,0,0,0,2|2,0,0]=4 805 B13R1.45 O=C([O-])CNC(=O)C1=CC=CC=C1 MCULE-9281884015 [0,0,0,0,0,2|2,0,0]=4 806 B13R1.342 CC(=O)CCCC(=O)C1=NC=CO1 MCULE-5514354480 [0,0,0,0,0,2|1,0,0]=3 807 B13R1.342 CC(C)CCNC(=O)C1=CC=CO1 MCULE-7582581026 [0,0,0,0,0,2|1,0,1]=4 808 B13R1.342 CC(C)CCOC(=O)C1=CC=CO1 MCULE-7577180370 [0,0,0,0,0,2|1,0,1]=4 809 B13R1.342 CN(C)CCOC(=O)C1=CC=CO1 MCULE-5209981052 [0,0,0,0,0,2|2,0,0]=4 810 B13R1.342 C[NH+](C)CCOC(=O)C1=CC=CO1 MCULE-8391318257 [0,0,0,0,0,2|2,0,0]=4 811 B13R1.342 O=C(O)C=NNC(=O)C1=CC=CO1 MCULE-8968654512 [0,0,0,0,0,2|1,0,1]=4 812 B13R1.342 O=C(O)CCCC(=O)C1=CC=CS1 MCULE-4650109824 [0,0,0,0,0,2|1,1,0]=4 813 B13R1.342 O=C(O)CCNC(=O)C1=CC=CN1 MCULE-9685444463 [0,0,0,0,0,2|2,0,0]=4 814 B13R1.342 O=C(O)CCNC(=O)C1=CC=CO1 MCULE-4480252309 [0,0,0,0,0,2|1,0,0]=3 815 B13R1.342 O=C(O)CCNC(=O)C1=CC=CS1 MCULE-3158329569 [0,0,0,0,0,2|1,1,0]=4 816 B13R1.342 O=C(O)CNCC(=O)C1=CC=CN1 MCULE-3949957853 [0,0,0,0,0,2|2,0,0]=4 817 B13R1.342 O=C(O)CNCC(=O)C1=CC=CO1 MCULE-3532728677 [0,0,0,0,0,2|1,0,0]=3 818 B13R1.342 O=C(O)CNCC(=O)C1=CC=CS1 MCULE-5172689496 [0,0,0,0,0,2|1,1,0]=4 819 B13R1.342 O=C(O)CSCC(=O)C1=CC=CS1 MCULE-9531479167 [0,0,0,0,0,2|1,1,0]=4 820 B13R1.344 CC(=O)SCC(=O)NC1=NC=CS1 MCULE-9857651013 [0,0,0,0,0,2|1,1,0]=4 821 B13R1.348 CC(=O)CC(=NC1=CC=CC=C1)C MCULE-6295813779 [0,0,0,0,0,2|2,0,0]=4 822 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 MCULE-5266500580 [0,0,0,0,0,2|1,0,0]=3 823 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 MCULE-8887978901 [0,0,0,0,0,2|1,0,0]=3 824 B13R1.348 CC(=O)CC(=O)NC1=CN=CC=C1 MCULE-9703971444 [0,0,0,0,0,2|1,0,0]=3 825 B13R1.348 CC(=O)CC(=O)NC1=NC=CC=C1 MCULE-4033056906 [0,0,0,0,0,2|1,0,0]=3 826 B13R1.348 CC(=O)CC(=O)NC1=NC=CC=N1 MCULE-1587209217 [0,0,0,0,0,2|1,0,0]=3 827 B13R1.348 CC(=O)CC(=O)OC1=CC=CC=C1 MCULE-3033637525 [0,0,0,0,0,2|1,0,0]=3 828 B13R1.348 CC(=O)CC(=S)NC1=CC=CC=C1 MCULE-8804670484 [0,0,0,0,0,2|1,1,0]=4 829 B13R1.348 CC(=O)NC(=O)NC1=CC=CC=C1 MCULE-4570583479 [0,0,0,0,0,2|2,0,0]=4 830 B13R1.348 O=C(Cl)CC(=O)CC1=CC=CC=C1 MCULE-9142165063 [0,0,0,0,0,2|2,0,0]=4 831 B13R1.348 O=C(O)CC(=O)CC1=CC=CC=C1 MCULE-2648013104 [0,0,0,0,0,2|2,0,0]=4 832 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 MCULE-6974581142 [0,0,0,0,0,2|2,0,0]=4 833 B13R1.348 O=C(O)CC(=O)OC1=CC=CC=C1 MCULE-7011371799 [0,0,0,0,0,2|2,0,0]=4 834 B13R1.593 CC(=O)CC(=O)NCC1=CC=CO1 MCULE-5607218116 [0,0,0,0,0,2|0,0,0]=2 835 B13R1.593 CC(=O)CC(=O)NCC1=CC=CS1 MCULE-3763933383 [0,0,0,0,0,2|0,1,0]=3 836 B13R1.593 CC(=O)NC(=S)NCC1=CC=CO1 MCULE-5221767912 [0,0,0,0,0,2|1,1,0]=4 837 B13R1.593 NC(=S)CC(=O)NCC1=CC=CO1 MCULE-3571622063 [0,0,0,0,0,2|1,1,0]=4