0 B10R1.66 CC(=O)/C=C/C1=CC=CO1 MCULE-7175927536 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.66 CC(=O)/C=C/C1=CC=CS1 MCULE-9668699729 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.66 CC(=O)/C=C/C1=CSC=C1 MCULE-9067564306 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.66 CC(=O)C=CC1=CC=CO1 MCULE-9905851815 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.66 CC(=O)C=CC1=CC=CS1 MCULE-4792487998 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.66 CC(=O)C=CC1=CSC=C1 MCULE-4852101760 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.66 CC(=O)OC=C1C=CC=C1 MCULE-9595415944 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.66 NC(=O)/C=C/C1=CC=CS1 MCULE-2550089532 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.66 NC(=O)/C=C/C1=NCCC1 MCULE-7984527599 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.66 NC(=O)C=CC1=CC=CO1 MCULE-3308563945 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.66 NC(=O)C=CC1=CC=CS1 MCULE-4715280412 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.66 NC(=O)C=CC1=NC=CN1 MCULE-8278909510 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.66 O=C(Cl)/C=C/C1=CC=CO1 MCULE-3961989188 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.66 O=C(Cl)/C=C/C1=CC=CS1 MCULE-4325709525 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.66 O=C(Cl)/C=C/C1=CSC=C1 MCULE-6636902806 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.66 O=C(Cl)C=CC1=CC=CO1 MCULE-9192017514 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.66 O=C(Cl)C=CC1=CC=CS1 MCULE-4244086123 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.66 O=C(Cl)C=CC1=COC=C1 MCULE-1866567105 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.66 O=C(O)/C=C/C1=CC=CO1 MCULE-1000282553 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.66 O=C(O)/C=C/C1=CC=CS1 MCULE-7724588931 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.66 O=C(O)/C=C/C1=CN=CS1 MCULE-7572472922 [0,0,0,0,0,0|1,0,1]=2 21 B10R1.66 O=C(O)/C=C/C1=CNC=N1 MCULE-6953426192 [0,0,0,0,0,0|0,0,0]=0 22 B10R1.66 O=C(O)/C=C/C1=COC=C1 MCULE-6642700286 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.66 O=C(O)/C=C/C1=CSC=C1 MCULE-1958527580 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.66 O=C(O)/C=C/C1=CSC=N1 MCULE-4774407164 [0,0,0,0,0,0|1,0,0]=1 25 B10R1.66 O=C(O)/C=C/C1=NC=CN1 MCULE-6558776329 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.66 O=C(O)/C=C/C1=NC=CS1 MCULE-7172278941 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.66 O=C(O)/C=C\C1=CN=CN1 MCULE-7236014213 [0,0,0,0,0,0|0,0,2]=2 28 B10R1.66 O=C(O)C#CC1=CC=CO1 MCULE-9618528259 [0,0,0,0,0,0|2,0,2]=4 29 B10R1.66 O=C(O)C#CC1=CC=CS1 MCULE-6435823452 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.66 O=C(O)C#CC1=CSC=C1 MCULE-7555347588 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.66 O=C(O)C=CC1=CC=CN1 MCULE-5460570885 [0,0,0,0,0,0|1,0,1]=2 32 B10R1.66 O=C(O)C=CC1=CC=CO1 MCULE-8349779970 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.66 O=C(O)C=CC1=CC=CS1 MCULE-8401835373 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.66 O=C(O)C=CC1=CN=CS1 MCULE-7641560153 [0,0,0,0,0,0|1,0,1]=2 35 B10R1.66 O=C(O)C=CC1=CNC=C1 MCULE-6780323683 [0,0,0,0,0,0|1,0,0]=1 36 B10R1.66 O=C(O)C=CC1=CNC=N1 MCULE-7002606160 [0,0,0,0,0,0|0,0,0]=0 37 B10R1.66 O=C(O)C=CC1=CNN=C1 MCULE-7650068377 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.66 O=C(O)C=CC1=COC=C1 MCULE-6318317369 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.66 O=C(O)C=CC1=COC=N1 MCULE-6369646194 [0,0,0,0,0,0|1,0,0]=1 40 B10R1.66 O=C(O)C=CC1=CSC=C1 MCULE-3580115373 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.66 O=C(O)C=CC1=CSC=N1 MCULE-9549510844 [0,0,0,0,0,0|1,0,0]=1 42 B10R1.66 O=C(O)C=CC1=NC=CN1 MCULE-8884945425 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.66 O=C(O)C=CC1=NC=CN1 MCULE-9780106777 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.66 O=C(O)C=CC1=NC=CS1 MCULE-2894674051 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.66 O=C(O)CCC1=CC=CN1 MCULE-8495580718 [0,0,0,0,0,0|1,0,3]=4 46 B10R1.66 O=C(O)CCC1=CC=CO1 MCULE-3535606082 [0,0,0,0,0,0|2,0,2]=4 47 B10R1.66 O=C(O)CCC1=CC=CS1 MCULE-3548538547 [0,0,0,0,0,0|2,0,2]=4 48 B10R1.66 O=C(O)CCC1=CN=CS1 MCULE-2668820713 [0,0,0,0,0,0|1,0,3]=4 49 B10R1.66 O=C(O)CCC1=CN=CS1 MCULE-7272215073 [0,0,0,0,0,0|1,0,3]=4 50 B10R1.66 O=C(O)CCC1=CNC=C1 MCULE-9116858435 [0,0,0,0,0,0|1,0,2]=3 51 B10R1.66 O=C(O)CCC1=CNC=N1 MCULE-3618491840 [0,0,0,0,0,0|0,0,2]=2 52 B10R1.66 O=C(O)CCC1=CNC=N1 MCULE-8133590347 [0,0,0,0,0,0|0,0,2]=2 53 B10R1.66 O=C(O)CCC1=CNN=C1 MCULE-1705333891 [0,0,0,0,0,0|2,0,2]=4 54 B10R1.66 O=C(O)CCC1=CNN=C1 MCULE-4996856052 [0,0,0,0,0,0|2,0,2]=4 55 B10R1.66 O=C(O)CCC1=CNN=N1 MCULE-2306529453 [0,0,0,0,0,0|1,0,2]=3 56 B10R1.66 O=C(O)CCC1=CNN=N1 MCULE-3429425016 [0,0,0,0,0,0|1,0,2]=3 57 B10R1.66 O=C(O)CCC1=COC=C1 MCULE-6225332803 [0,0,0,0,0,0|2,0,2]=4 58 B10R1.66 O=C(O)CCC1=CSC=C1 MCULE-5919306548 [0,0,0,0,0,0|2,0,2]=4 59 B10R1.66 O=C(O)CCC1=CSC=N1 MCULE-3188158342 [0,0,0,0,0,0|1,0,2]=3 60 B10R1.66 O=C(O)CCC1=NC=CN1 MCULE-8831721107 [0,0,0,0,0,0|2,0,2]=4 61 B10R1.66 O=C(O)CCC1=NC=CN1 MCULE-8898977198 [0,0,0,0,0,0|2,0,2]=4 62 B10R1.66 O=C(O)CCC1=NC=CO1 MCULE-8621379865 [0,0,0,0,0,0|2,0,2]=4 63 B10R1.66 O=C(O)CCC1=NC=CS1 MCULE-2473180013 [0,0,0,0,0,0|2,0,2]=4 64 B10R1.66 O=C(O)CCC1=NOC=C1 MCULE-7542127444 [0,0,0,0,0,0|2,0,2]=4 65 B10R1.66 O=C(O)CCN1C=CC=N1 MCULE-3245420562 [0,0,0,0,0,0|2,0,2]=4 66 B10R1.66 O=C(O)CCN1C=CC=N1 MCULE-7345461411 [0,0,0,0,0,0|2,0,2]=4 67 B10R1.66 O=C(O)CCN1C=NC=N1 MCULE-5526368399 [0,0,0,0,0,0|1,0,3]=4 68 B10R1.66 O=C(O)CNC1=CSC=C1 MCULE-7792185653 [0,0,0,0,0,0|3,0,1]=4 69 B10R1.66 O=C(O)CNC1=NC=CS1 MCULE-8036465286 [0,0,0,0,0,0|3,0,1]=4 70 B10R1.66 O=C(O)CNC1=NNC=C1 MCULE-8140407014 [0,0,0,0,0,0|3,0,1]=4 71 B10R1.66 O=C(O)COC1=CSC=C1 MCULE-1973135166 [0,0,0,0,0,0|3,0,1]=4 72 B10R1.66 O=C(O)COC1=NOC=C1 MCULE-7331920513 [0,0,0,0,0,0|3,0,1]=4 73 B10R1.66 O=C(O)COC1=NSC=C1 MCULE-2321879288 [0,0,0,0,0,0|3,0,1]=4 74 B10R1.66 O=C(O)CSC1=CC=CS1 MCULE-4950567579 [0,0,0,0,0,0|3,0,1]=4 75 B10R1.66 O=C(O)CSC1=NC=CS1 MCULE-1071824456 [0,0,0,0,0,0|3,0,1]=4 76 B10R1.66 O=N(=O)/C=C/C1=CC=CO1 MCULE-3251448880 [0,0,0,0,0,0|3,0,1]=4 77 B10R1.66 O=N(=O)/C=C/C1=CC=CS1 MCULE-7150832797 [0,0,0,0,0,0|3,0,1]=4 78 B10R1.66 O=N(=O)/C=C/C1=CSC=C1 MCULE-5909409695 [0,0,0,0,0,0|3,0,1]=4 79 B10R1.66 O=N(=O)/C=C/C1=NC=CS1 MCULE-7114943275 [0,0,0,0,0,0|3,0,1]=4 80 B10R1.66 O=N(=O)/C=C\C1=CC=CS1 MCULE-2612236247 [0,0,0,0,0,0|3,0,1]=4 81 B10R1.66 O=[N+]([O-])C=CC1=CC=CO1 MCULE-8162497904 [0,0,0,0,0,0|3,0,1]=4 82 B10R1.66 O=[N+]([O-])C=CC1=CC=CS1 MCULE-6221010639 [0,0,0,0,0,0|3,0,1]=4 83 B10R1.66 O=[N+]([O-])C=CC1=COC=C1 MCULE-3859026504 [0,0,0,0,0,0|3,0,1]=4 84 B10R1.66 O=[N+]([O-])C=CC1=CSC=C1 MCULE-4451456236 [0,0,0,0,0,0|3,0,1]=4 85 B10R1.66 O=[N+]([O-])C=CC1=NC=CS1 MCULE-4223961275 [0,0,0,0,0,0|3,0,1]=4 86 B9R1.12 O=C/C=C/C1=CC=CO1 MCULE-8071861971 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.12 O=C/C=C/C1=COC=C1 MCULE-8756130782 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.12 O=CC=CC1=CC=CN1 MCULE-2469885992 [1,0,0,0,0,0|1,0,1]=3 89 B9R1.12 O=CC=CC1=CC=CO1 MCULE-1727102658 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.12 OCC=CC1=CC=CS1 MCULE-7126809926 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.12 OCCCC1=CNC=N1 MCULE-6446482745 [1,0,0,0,0,0|0,0,3]=4 92 B9R1.12 OCCCC1=CNC=N1 MCULE-9100702074 [1,0,0,0,0,0|0,0,3]=4 93 B11R1.25 COC(=O)/C=C/C1=CC=CN1 MCULE-7480502311 [0,1,0,0,0,0|1,0,1]=3 94 B11R1.25 COC(=O)/C=C/C1=CC=CS1 MCULE-5564124883 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.25 COC(=O)/C=C/C1=CNC=N1 MCULE-8157424577 [0,1,0,0,0,0|0,0,0]=1 96 B11R1.25 COC(=O)/C=C/C1=CSC=C1 MCULE-9092301483 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.25 COC(=O)/C=C/C1=NC=CN1 MCULE-5392231331 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.25 COC(=O)C=CC1=CC=CN1 MCULE-2983330933 [0,1,0,0,0,0|1,0,1]=3 99 B11R1.25 COC(=O)C=CC1=CC=CS1 MCULE-8316070904 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.25 COC(=O)C=CC1=CN=CN1 MCULE-8998006253 [0,1,0,0,0,0|0,0,2]=3 101 B11R1.25 COC(=O)C=CC1=CNC=N1 MCULE-6890357338 [0,1,0,0,0,0|0,0,0]=1 102 B11R1.25 COC(=O)C=CC1=CSC=C1 MCULE-5382242747 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.25 COC(=O)CCC1=CNC=N1 MCULE-4772939579 [0,1,0,0,0,0|0,0,2]=3 104 B11R1.25 COC(=O)CCC1=CNC=N1 MCULE-6123767498 [0,1,0,0,0,0|0,0,2]=3 105 B11R1.25 COC(=O)CSC1=NNC=N1 MCULE-6343203190 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.35 CC(=CC1=CC=CO1)C(=O)O MCULE-2925151764 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.35 CC(=CC1=CC=CS1)C(=O)O MCULE-9297953193 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.35 C[C@H](NC1=CSC=N1)C(=O)O MCULE-5434211661 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.35 NC(=O)[C@@H](N)CC1=CNC=N1 MCULE-4694791114 [0,1,0,0,0,0|1,0,2]=4 110 B11R1.35 NC(=O)[C@@H](N)CC1=CNC=N1 MCULE-8086406127 [0,1,0,0,0,0|1,0,2]=4 111 B11R1.35 NC(CC1=CNC=C1)C(=O)O MCULE-9864992308 [0,1,0,0,0,0|1,0,2]=4 112 B11R1.35 NC(CC1=CNC=N1)C(=O)O MCULE-2923626784 [0,1,0,0,0,0|0,0,2]=3 113 B11R1.35 NC(CC1=CNC=N1)C(=O)O MCULE-6787534916 [0,1,0,0,0,0|0,0,2]=3 114 B11R1.35 NC(CC1=CNC=N1)C(=O)O MCULE-7525765487 [0,1,0,0,0,0|0,0,2]=3 115 B11R1.35 NC(CC1=CSC=N1)C(=O)O MCULE-2390356050 [0,1,0,0,0,0|1,0,2]=4 116 B11R1.35 NC(CC1=CSC=N1)C(=O)O MCULE-6340376441 [0,1,0,0,0,0|1,0,2]=4 117 B11R1.35 NC(CC1=CSC=N1)C(=O)O MCULE-7084475028 [0,1,0,0,0,0|1,0,2]=4 118 B11R1.35 NC(CC1=NNC=N1)C(=O)O MCULE-8826640392 [0,1,0,0,0,0|1,0,2]=4 119 B11R1.35 N[C@@H](CC1=CNC=C1)C(=O)O MCULE-7031820503 [0,1,0,0,0,0|1,0,2]=4 120 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-1155454458 [0,1,0,0,0,0|0,0,2]=3 121 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-4083000888 [0,1,0,0,0,0|0,0,2]=3 122 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-5599456266 [0,1,0,0,0,0|0,0,2]=3 123 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-7458236044 [0,1,0,0,0,0|0,0,2]=3 124 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-9282849595 [0,1,0,0,0,0|0,0,2]=3 125 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-9753735240 [0,1,0,0,0,0|0,0,2]=3 126 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O MCULE-2668036247 [0,1,0,0,0,0|1,0,2]=4 127 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O MCULE-5714524091 [0,1,0,0,0,0|1,0,2]=4 128 B11R1.35 N[C@H](CC1=CNC=C1)C(=O)O MCULE-9800775235 [0,1,0,0,0,0|1,0,2]=4 129 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O MCULE-2877373266 [0,1,0,0,0,0|0,0,2]=3 130 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O MCULE-4994851602 [0,1,0,0,0,0|0,0,2]=3 131 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O MCULE-9609124805 [0,1,0,0,0,0|0,0,2]=3 132 B11R1.35 N[C@H](CC1=CSC=N1)C(=O)O MCULE-1425018039 [0,1,0,0,0,0|1,0,2]=4 133 B11R1.35 N[C@H](CC1=CSC=N1)C(=O)O MCULE-9292185704 [0,1,0,0,0,0|1,0,2]=4 134 B11R1.35 N[C@H](CC1=NNC=N1)C(=O)O MCULE-2637030444 [0,1,0,0,0,0|1,0,2]=4 135 B11R1.35 O=C(O)C(=CC1=CC=CO1)S MCULE-7963054894 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.35 O=C(O)C(=O)CC1=CC=CS1 MCULE-8806340356 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.35 O=C(O)C(=O)CC1=CNC=N1 MCULE-3580978419 [0,1,0,0,0,0|0,0,1]=2 138 B11R1.35 O=C(O)C(=O)NC1=NC=CS1 MCULE-9439892070 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.35 O=C(O)[C@@H](O)CC1=CNC=N1 MCULE-9508991160 [0,1,0,0,0,0|0,0,2]=3 140 B11R1.75 CC(=O)C=CC1=CC=C(O1)C MCULE-7777353808 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.75 CC1=CC(=NO1)/C=C/C(=O)O MCULE-5730179319 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.75 CC1=CC(=NO1)C=CC(=O)O MCULE-6910277257 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.75 CC1=CC=C(O1)/C=C/C(=O)Cl MCULE-3498227305 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.75 CC1=CC=C(O1)/C=C/C(=O)O MCULE-7844851375 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.75 CC1=CC=C(O1)C=CC(=O)Cl MCULE-6694263292 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.75 CC1=CC=C(O1)C=CC(=O)N MCULE-4747615229 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.75 CC1=CC=C(O1)C=CC(=O)O MCULE-2923544664 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.75 CC1=CC=C(S1)/C=C/C(=O)O MCULE-4670055713 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.75 CC1=CC=C(S1)C=CC(=O)O MCULE-8372699009 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.75 CC1=COC(=N1)C=CC(=O)O MCULE-4453363575 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.75 CC1=CSC(=C1)/C=C/C(=O)O MCULE-6467593472 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.75 CC1=NC(=CN1)CCC(=O)O MCULE-4312521330 [0,1,0,0,0,0|0,0,2]=3 153 B11R1.75 CC1=NC(=CS1)C=CC(=O)O MCULE-2249538705 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.75 CC1=NC(=CS1)CCC(=O)O MCULE-6201333243 [0,1,0,0,0,0|1,0,2]=4 155 B11R1.75 CC1=NC(=CS1)CCC(=O)O MCULE-7724457432 [0,1,0,0,0,0|1,0,2]=4 156 B11R1.75 CC1=NSC(=C1)/C=C/C(=O)O MCULE-7759289655 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.75 CC1=NSC(=C1)C=CC(=O)O MCULE-1689795440 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.75 CN1C=C(C=N1)/C=C/C(=O)Cl MCULE-3982517286 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.75 CN1C=C(C=N1)/C=C/C(=O)O MCULE-2460869605 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.75 CN1C=C(C=N1)C=CC(=O)Cl MCULE-2026168205 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.75 CN1C=C(C=N1)C=CC(=O)Cl MCULE-2369666903 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.75 CN1C=C(C=N1)C=CC(=O)O MCULE-2578150115 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.75 CN1C=C(N=N1)CCC(=O)O MCULE-6227748512 [0,1,0,0,0,0|1,0,2]=4 164 B11R1.75 CN1C=CC(=C1)CCC(=O)O MCULE-4623817123 [0,1,0,0,0,0|1,0,2]=4 165 B11R1.75 CN1C=CC(=N1)C=CC(=O)O MCULE-3022334975 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.75 CN1C=NC(=C1)C=CC(=O)O MCULE-4071980192 [0,1,0,0,0,0|0,0,0]=1 167 B11R1.75 CN1C=NC(=C1)C=CC(=O)O MCULE-8917973345 [0,1,0,0,0,0|0,0,0]=1 168 B11R1.75 NC(=O)C=CC1=CC=C(S1)Br MCULE-5432626188 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.75 NC1=NC(=CS1)CCC(=O)O MCULE-1519545014 [0,1,0,0,0,0|1,0,2]=4 170 B11R1.75 NC1=NC(=CS1)CCC(=O)O MCULE-2497158466 [0,1,0,0,0,0|1,0,2]=4 171 B11R1.75 NC1=NC(=CS1)CCC(=O)O MCULE-5882922452 [0,1,0,0,0,0|1,0,2]=4 172 B11R1.75 NC1=NC(=NN1)/C=C\C(=O)O MCULE-2999015995 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.75 NC1=NC(=NN1)CCC(=O)O MCULE-5581856354 [0,1,0,0,0,0|1,0,2]=4 174 B11R1.75 NC1=NNC(=N1)C=CC(=O)O MCULE-3773214837 [0,1,0,0,0,0|1,0,1]=3 175 B11R1.75 O=C(O)/C=C/C1=CC(=CS1)Br MCULE-8144525587 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.75 O=C(O)/C=C/C1=CC=C(O1)Br MCULE-4754694343 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.75 O=C(O)/C=C/C1=CC=C(S1)Br MCULE-6931620559 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.75 O=C(O)/C=C/C1=CSC(=C1)Br MCULE-5276056633 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.75 O=C(O)/C=C\C1=NNC(=N1)Br MCULE-5695971155 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.75 O=C(O)/C=C\C1=NNC(=N1)Cl MCULE-9846793430 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.75 O=C(O)/C=C\C1=NNC(=O)N1 MCULE-7100184877 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.75 O=C(O)C=CC1=CC(=CS1)Br MCULE-2182030384 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.75 O=C(O)C=CC1=CC=C(O1)Br MCULE-4405271455 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.75 O=C(O)C=CC1=CC=C(O1)I MCULE-6994174349 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.75 O=C(O)C=CC1=CC=C(S1)Br MCULE-2801862894 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.75 O=C(O)C=CC1=NC(=NN1)Br MCULE-8676576291 [0,1,0,0,0,0|1,0,1]=3 187 B11R1.75 O=C(O)C=CC1=NC(=NN1)Cl MCULE-3599457944 [0,1,0,0,0,0|1,0,1]=3 188 B11R1.75 O=C(O)C=CC1=NC(=NN1)O MCULE-3191949255 [0,1,0,0,0,0|1,0,1]=3 189 B11R1.75 O=C(O)CCC1=CNC(=O)N1 MCULE-2706002292 [0,1,0,0,0,0|0,0,3]=4 190 B11R1.75 O=C(O)CCC1=CNC(=S)N1 MCULE-3837669031 [0,1,0,0,0,0|0,0,3]=4 191 B11R1.75 O=C(O)CSC1=NC(=O)NN1 MCULE-1590647286 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.77 CC(=CC(=O)O)C1=CC=CO1 MCULE-2254303624 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.77 CC(=CC(=O)O)C1=CC=CS1 MCULE-7179456295 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.77 O=C(O)CC(=O)C1=CC=CO1 MCULE-2623089072 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.90 CC1=C(C=CO1)/C=C/C(=O)O MCULE-6630063140 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.90 CC1=C(C=CO1)C=CC(=O)O MCULE-1016825019 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.90 CC1=C(NC=N1)/C=C/C(=O)O MCULE-9497599005 [0,1,0,0,0,0|0,0,2]=3 198 B11R1.90 CC1=C(SC=C1)/C=C/C(=O)O MCULE-7874369652 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.90 CC1=C(SC=C1)C=CC(=O)O MCULE-5468660790 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.90 CN1C=CC=C1/C=C/C(=O)O MCULE-8772811585 [0,1,0,0,0,0|1,0,1]=3 201 B11R1.90 CN1C=CC=C1C=CC(=O)O MCULE-9069821546 [0,1,0,0,0,0|1,0,1]=3 202 B11R1.90 CN1C=CN=C1C=CC(=O)O MCULE-9018628583 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.90 CN1C=NC=C1C=CC(=O)O MCULE-7025934558 [0,1,0,0,0,0|0,0,2]=3 204 B11R1.90 CN1N=CC=C1/C=C/C(=O)O MCULE-8102308433 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.90 CN1N=CC=C1C=CC(=O)O MCULE-5235441977 [0,1,0,0,0,0|2,0,1]=4 206 B9R0.2 C/C=C/C=C/C=C/C(=O)O MCULE-6705197372 [0,0,1,0,0,0|2,0,0]=3 207 B9R0.2 CCC/C=C/C=C/C(=O)O MCULE-7747589239 [0,0,1,0,0,0|2,0,1]=4 208 B9R0.2 CCCC=CC=CC(=O)O MCULE-5198543935 [0,0,1,0,0,0|2,0,1]=4 209 B11R2.36 BrC1=CC2=C(C=C1)N=CO2 MCULE-7283259130 [0,0,0,1,0,0|3,0,0]=4 210 B11R2.36 BrC1=CC=C2C=CNC2=C1 MCULE-9892626052 [0,0,0,1,0,0|3,0,0]=4 211 B11R2.36 BrC1=CC=C2N=CNC2=C1 MCULE-6720772825 [0,0,0,1,0,0|2,0,0]=3 212 B11R2.36 BrC1=CC=C2N=CNC2=C1 MCULE-8906475924 [0,0,0,1,0,0|2,0,0]=3 213 B11R2.36 BrC1=CC=C2N=CSC2=C1 MCULE-3777295488 [0,0,0,1,0,0|3,0,0]=4 214 B11R2.36 BrC1=CC=C2N=CSC2=N1 MCULE-6048795355 [0,0,0,1,0,0|3,0,0]=4 215 B11R2.36 BrC1=NC2=C(C=CN2)C=C1 MCULE-4298609678 [0,0,0,1,0,0|3,0,0]=4 216 B11R2.36 CC1=CC2=C(C=C1)N=CS2 MCULE-4998017366 [0,0,0,1,0,0|3,0,0]=4 217 B11R2.36 CC1=CC2=C(C=CN2)C=C1 MCULE-1566062876 [0,0,0,1,0,0|3,0,0]=4 218 B11R2.36 CC1=CC=C2N=CC=C2N1 MCULE-1480451927 [0,0,0,1,0,0|3,0,0]=4 219 B11R2.36 CC1=CC=C2N=CNC2=N1 MCULE-7195302629 [0,0,0,1,0,0|2,0,0]=3 220 B11R2.36 CC1=CC=C2N=COC2=C1 MCULE-4411402928 [0,0,0,1,0,0|3,0,0]=4 221 B11R2.36 CC1=CC=C2N=CSC2=N1 MCULE-3945876562 [0,0,0,1,0,0|3,0,0]=4 222 B11R2.36 CC1=NC2=C(C=CN2)C=C1 MCULE-6924638795 [0,0,0,1,0,0|3,0,0]=4 223 B11R2.36 ClC1=CC2=C(C=C1)N=CO2 MCULE-4851175411 [0,0,0,1,0,0|3,0,0]=4 224 B11R2.36 ClC1=CC2=C(C=C1)N=CS2 MCULE-8746899700 [0,0,0,1,0,0|3,0,0]=4 225 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 MCULE-2699338313 [0,0,0,1,0,0|3,0,0]=4 226 B11R2.36 ClC1=CC=C2N=CNC2=N1 MCULE-1629620273 [0,0,0,1,0,0|2,0,0]=3 227 B11R2.36 ClC1=CC=C2N=COC2=N1 MCULE-8521055437 [0,0,0,1,0,0|3,0,0]=4 228 B11R2.36 ClC1=CC=C2N=CSC2=N1 MCULE-3868989450 [0,0,0,1,0,0|3,0,0]=4 229 B11R2.36 ClC1=CN=C2N=CNC2=C1 MCULE-4071973953 [0,0,0,1,0,0|3,0,0]=4 230 B11R2.36 ClC1=NC2=C(C=CN2)C=C1 MCULE-6243662963 [0,0,0,1,0,0|3,0,0]=4 231 B11R2.36 ClC1=NC2=C(C=N1)N=CN2 MCULE-6039845069 [0,0,0,1,0,0|3,0,0]=4 232 B11R2.36 FC1=CC2=C(C=C1)N=CO2 MCULE-3192484341 [0,0,0,1,0,0|3,0,0]=4 233 B11R2.36 FC1=CC=C2C=CNC2=C1 MCULE-9841780596 [0,0,0,1,0,0|3,0,0]=4 234 B11R2.36 FC1=CC=C2C=CNC2=N1 MCULE-2786070454 [0,0,0,1,0,0|3,0,0]=4 235 B11R2.36 FC1=CC=C2N=CC=C2N1 MCULE-9425206158 [0,0,0,1,0,0|3,0,0]=4 236 B11R2.36 FC1=CC=C2N=CNC2=C1 MCULE-7714594139 [0,0,0,1,0,0|2,0,0]=3 237 B11R2.36 FC1=CC=C2N=CSC2=C1 MCULE-6438776496 [0,0,0,1,0,0|3,0,0]=4 238 B11R2.36 FC1=NC2=C(C=C1)N=CS2 MCULE-2676244702 [0,0,0,1,0,0|3,0,0]=4 239 B11R2.36 IC1=CC2=C(C=C1)N=CN2 MCULE-9393489786 [0,0,0,1,0,0|2,0,0]=3 240 B11R2.36 IC1=CC2=C(C=CN2)C=C1 MCULE-3420969258 [0,0,0,1,0,0|3,0,0]=4 241 B11R2.36 IC1=CC=C2N=COC2=C1 MCULE-4956601185 [0,0,0,1,0,0|3,0,0]=4 242 B11R2.36 IC1=CC=C2N=CSC2=C1 MCULE-5602147359 [0,0,0,1,0,0|3,0,0]=4 243 B11R2.36 IC1=NC2=C(C=CN2)C=C1 MCULE-2629590205 [0,0,0,1,0,0|3,0,0]=4 244 B11R2.36 IC1=NC=C2N=CNC2=N1 MCULE-8952328119 [0,0,0,1,0,0|3,0,0]=4 245 B11R2.36 NC1=CC2=C(C=C1)N=CN2 MCULE-4320236727 [0,0,0,1,0,0|2,0,0]=3 246 B11R2.36 NC1=CC2=C(C=C1)N=CO2 MCULE-8104604706 [0,0,0,1,0,0|3,0,0]=4 247 B11R2.36 NC1=CC2=C(C=CN2)C=C1 MCULE-3256405314 [0,0,0,1,0,0|3,0,0]=4 248 B11R2.36 NC1=CC=C2C=CNC2=N1 MCULE-5079022260 [0,0,0,1,0,0|3,0,0]=4 249 B11R2.36 NC1=CC=C2N=CC=C2N1 MCULE-1462949238 [0,0,0,1,0,0|3,0,0]=4 250 B11R2.36 NC1=CC=C2N=CC=C2N1 MCULE-7664911346 [0,0,0,1,0,0|3,0,0]=4 251 B11R2.36 NC1=CC=C2N=CNC2=C1 MCULE-1584157981 [0,0,0,1,0,0|2,0,0]=3 252 B11R2.36 NC1=CC=C2N=CSC2=C1 MCULE-6645645606 [0,0,0,1,0,0|3,0,0]=4 253 B11R2.36 NC1=CN=C2N=CNC2=C1 MCULE-9288795740 [0,0,0,1,0,0|3,0,0]=4 254 B11R2.36 NC1=NC2=C(C=C1)N=CN2 MCULE-3926193141 [0,0,0,1,0,0|2,0,0]=3 255 B11R2.36 NC1=NC2=C(C=CN2)C=C1 MCULE-8683110138 [0,0,0,1,0,0|3,0,0]=4 256 B11R2.36 O=C1C=CC2=C(N1)NC=C2 MCULE-4709006502 [0,0,0,1,0,0|2,0,0]=3 257 B11R2.36 O=C1C=CC2=CNNC2=C1 MCULE-3302162433 [0,0,0,1,0,0|3,0,0]=4 258 B11R2.36 O=C1C=CN2N=CC=C2N1 MCULE-1796983742 [0,0,0,1,0,0|3,0,0]=4 259 B11R2.36 O=C1C=CN2N=CN=C2N1 MCULE-8943170726 [0,0,0,1,0,0|2,0,1]=4 260 B11R2.36 O=C1CCC2=C(C1)NC=N2 MCULE-6051737325 [0,0,0,1,0,0|1,0,2]=4 261 B11R2.36 OC1=CC2=C(C=C1)C=NN2 MCULE-5096201949 [0,0,0,1,0,0|3,0,0]=4 262 B11R2.36 OC1=CC2=C(C=C1)CCN2 MCULE-6493639629 [0,0,0,1,0,0|2,0,1]=4 263 B11R2.36 OC1=CC2=C(C=C1)CCN2 MCULE-9197148231 [0,0,0,1,0,0|2,0,1]=4 264 B11R2.36 OC1=CC2=C(C=C1)N=CO2 MCULE-1947081066 [0,0,0,1,0,0|2,0,0]=3 265 B11R2.36 OC1=CC2=C(C=C1)N=CS2 MCULE-2080894558 [0,0,0,1,0,0|2,0,0]=3 266 B11R2.36 OC1=CC2=C(C=C1)NC=C2 MCULE-4047358382 [0,0,0,1,0,0|2,0,1]=4 267 B11R2.36 OC1=CC2=C(C=C1)SC=C2 MCULE-1314735878 [0,0,0,1,0,0|3,0,0]=4 268 B11R2.36 OC1=CC2=C(C=C1)SC=N2 MCULE-1169133891 [0,0,0,1,0,0|2,0,1]=4 269 B11R2.36 OC1=CC2=C(C=CN2)C=C1 MCULE-2736197295 [0,0,0,1,0,0|2,0,0]=3 270 B11R2.36 OC1=CC2=C(C=CN2)C=N1 MCULE-1720575824 [0,0,0,1,0,0|3,0,0]=4 271 B11R2.36 OC1=CC2=C(C=CS2)C=C1 MCULE-4119523733 [0,0,0,1,0,0|3,0,0]=4 272 B11R2.36 OC1=CC2=CC=NN2C=C1 MCULE-3377222849 [0,0,0,1,0,0|3,0,0]=4 273 B11R2.36 OC1=CC2=CON=C2C=C1 MCULE-6737425338 [0,0,0,1,0,0|3,0,0]=4 274 B11R2.36 OC1=CC2=NC=NN2C=C1 MCULE-1093183733 [0,0,0,1,0,0|2,0,1]=4 275 B11R2.36 OC1=CC2=NON=C2C=C1 MCULE-2485828367 [0,0,0,1,0,0|2,0,1]=4 276 B11R2.36 OC1=CC2=NSN=C2C=C1 MCULE-8977878478 [0,0,0,1,0,0|2,0,1]=4 277 B11R2.36 OC1=CC=C2C=COC2=C1 MCULE-4214017495 [0,0,0,1,0,0|3,0,0]=4 278 B11R2.36 OC1=CC=C2C=NNC2=N1 MCULE-7205243775 [0,0,0,1,0,0|3,0,0]=4 279 B11R2.36 OC1=CC=C2N=CNC2=C1 MCULE-7360729712 [0,0,0,1,0,0|1,0,0]=2 280 B11R2.36 OC1=CC=C2N=CNC2=N1 MCULE-6127559757 [0,0,0,1,0,0|1,0,0]=2 281 B11R2.36 OC1=CC=C2NC=CC2=N1 MCULE-6460124175 [0,0,0,1,0,0|2,0,1]=4 282 B11R2.36 OC1=CC=C2NC=NC2=C1 MCULE-4191260569 [0,0,0,1,0,0|1,0,2]=4 283 B11R2.36 OC1=CC=C2OC=CC2=C1 MCULE-9887853887 [0,0,0,1,0,0|3,0,0]=4 284 B11R2.36 OC1=CC=C2OC=NC2=C1 MCULE-9369337908 [0,0,0,1,0,0|2,0,1]=4 285 B11R2.36 OC1=CN2C=CN=C2C=C1 MCULE-3438226473 [0,0,0,1,0,0|3,0,0]=4 286 B11R2.36 OC1=CN2N=CN=C2C=C1 MCULE-4758701749 [0,0,0,1,0,0|2,0,1]=4 287 B11R2.36 OC1=CN=C2C=CNC2=C1 MCULE-7031293075 [0,0,0,1,0,0|3,0,0]=4 288 B11R2.36 OC1=NC2=C(C=C1)NC=C2 MCULE-7005906533 [0,0,0,1,0,0|2,0,1]=4 289 B11R2.36 OC1=NN2C=CN=C2C=C1 MCULE-8725967251 [0,0,0,1,0,0|3,0,0]=4 290 B11R2.36 [O-][N+]1=CC=C2N=CNC2=C1 MCULE-8321082890 [0,0,0,1,0,0|2,0,1]=4 291 B9R1.13 C1=NC(=CS1)CC(=O)O MCULE-1238453262 [0,0,0,0,1,0|1,0,1]=3 292 B9R1.13 CC(=O)NC1=NNC=N1 MCULE-6389186113 [0,0,0,0,1,0|3,0,0]=4 293 B9R1.13 NC(=O)CC1=CSC=N1 MCULE-7659311276 [0,0,0,0,1,0|2,0,1]=4 294 B9R1.13 O=C(O)/C=C\1/CCNC1 MCULE-3459034443 [0,0,0,0,1,0|1,0,2]=4 295 B9R1.13 O=C(O)CC1=CC=CN1 MCULE-7285438888 [0,0,0,0,1,0|1,0,2]=4 296 B9R1.13 O=C(O)CC1=CC=CO1 MCULE-8441709842 [0,0,0,0,1,0|2,0,1]=4 297 B9R1.13 O=C(O)CC1=CC=CS1 MCULE-7149489344 [0,0,0,0,1,0|2,0,1]=4 298 B9R1.13 O=C(O)CC1=CN=CN1 MCULE-4462983491 [0,0,0,0,1,0|0,0,3]=4 299 B9R1.13 O=C(O)CC1=CN=CO1 MCULE-6840081660 [0,0,0,0,1,0|1,0,2]=4 300 B9R1.13 O=C(O)CC1=CN=CS1 MCULE-1649938849 [0,0,0,0,1,0|1,0,2]=4 301 B9R1.13 O=C(O)CC1=CNC=C1 MCULE-4117122327 [0,0,0,0,1,0|1,0,1]=3 302 B9R1.13 O=C(O)CC1=CNC=N1 MCULE-7235823721 [0,0,0,0,1,0|0,0,1]=2 303 B9R1.13 O=C(O)CC1=CNN=C1 MCULE-2060094937 [0,0,0,0,1,0|2,0,1]=4 304 B9R1.13 O=C(O)CC1=CNN=C1 MCULE-6213369275 [0,0,0,0,1,0|2,0,1]=4 305 B9R1.13 O=C(O)CC1=CNN=N1 MCULE-1613172716 [0,0,0,0,1,0|1,0,1]=3 306 B9R1.13 O=C(O)CC1=COC=C1 MCULE-9657437511 [0,0,0,0,1,0|2,0,1]=4 307 B9R1.13 O=C(O)CC1=COC=N1 MCULE-5978349363 [0,0,0,0,1,0|1,0,1]=3 308 B9R1.13 O=C(O)CC1=CSC=C1 MCULE-7786560221 [0,0,0,0,1,0|2,0,1]=4 309 B9R1.13 O=C(O)CC1=CSC=N1 MCULE-1276507774 [0,0,0,0,1,0|1,0,1]=3 310 B9R1.13 O=C(O)CC1=CSN=N1 MCULE-2027393850 [0,0,0,0,1,0|2,0,1]=4 311 B9R1.13 O=C(O)CC1=NC=CN1 MCULE-1533615515 [0,0,0,0,1,0|2,0,1]=4 312 B9R1.13 O=C(O)CC1=NC=CN1 MCULE-2788600729 [0,0,0,0,1,0|2,0,1]=4 313 B9R1.13 O=C(O)CC1=NC=CS1 MCULE-7224650776 [0,0,0,0,1,0|2,0,1]=4 314 B9R1.13 O=C(O)CC1=NC=NN1 MCULE-9852413315 [0,0,0,0,1,0|1,0,2]=4 315 B9R1.13 O=C(O)CC1=NOC=C1 MCULE-9033104587 [0,0,0,0,1,0|2,0,1]=4 316 B9R1.13 O=C(O)CN1C=CC=N1 MCULE-6841999657 [0,0,0,0,1,0|2,0,1]=4 317 B9R1.13 O=C(O)CN1C=CC=N1 MCULE-7124185827 [0,0,0,0,1,0|2,0,1]=4 318 B9R1.13 O=C(O)CN1C=NC=N1 MCULE-5004883798 [0,0,0,0,1,0|1,0,2]=4 319 B9R1.13 O=C(O)CN1C=NC=N1 MCULE-7489588316 [0,0,0,0,1,0|1,0,2]=4 320 B9R1.13 O=C([O-])CC1=CNC=N1 MCULE-1164076285 [0,0,0,0,1,0|0,0,2]=3 321 B9R1.13 OC(=S)CC1=CSC=N1 MCULE-1138960144 [0,0,0,0,1,0|1,1,1]=4 322 B11R1.91 C(=CC1=CC=CC=C1)C(=O)[O-] MCULE-4187228018 [0,0,0,0,0,1|2,0,1]=4 323 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 MCULE-4879858540 [0,0,0,0,0,1|3,0,0]=4 324 B11R1.91 CC(=O)C=CC1=CC=CC=C1 MCULE-5202944660 [0,0,0,0,0,1|3,0,0]=4 325 B11R1.91 CC(=O)C=CC1=CC=NC=C1 MCULE-8574000031 [0,0,0,0,0,1|2,0,1]=4 326 B11R1.91 CC(=O)C=CC1=CC=[NH+]C=C1 MCULE-7155207460 [0,0,0,0,0,1|2,0,1]=4 327 B11R1.91 CC(O)C=CC1=CN=CC=C1 MCULE-2639801613 [0,0,0,0,0,1|2,0,1]=4 328 B11R1.91 CC(O)C=CC1=NC=CC=C1 MCULE-7745477546 [0,0,0,0,0,1|2,0,1]=4 329 B11R1.91 NC(=O)/C=C/C1=CC=CC=C1 MCULE-1428301205 [0,0,0,0,0,1|3,0,0]=4 330 B11R1.91 NC(=O)C=CC1=CC=CC=C1 MCULE-9669016303 [0,0,0,0,0,1|3,0,0]=4 331 B11R1.91 O=C(Cl)/C=C/C1=CC=CC=C1 MCULE-4421630248 [0,0,0,0,0,1|3,0,0]=4 332 B11R1.91 O=C(Cl)/C=C/C1=CC=CN=C1 MCULE-9539270856 [0,0,0,0,0,1|2,0,0]=3 333 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 MCULE-8583623904 [0,0,0,0,0,1|3,0,0]=4 334 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 MCULE-1077406303 [0,0,0,0,0,1|2,0,0]=3 335 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 MCULE-7372485168 [0,0,0,0,0,1|1,0,1]=3 336 B11R1.91 O=C(O)/C=C/C1=CC=NN=C1 MCULE-4001426630 [0,0,0,0,0,1|1,0,1]=3 337 B11R1.91 O=C(O)/C=C/C1=CCCCC1 MCULE-1174819409 [0,0,0,0,0,1|2,0,1]=4 338 B11R1.91 O=C(O)/C=C/C1=CN=CC=C1 MCULE-7325423443 [0,0,0,0,0,1|1,0,0]=2 339 B11R1.91 O=C(O)/C=C/C1=NC=CC=C1 MCULE-3136346884 [0,0,0,0,0,1|1,0,0]=2 340 B11R1.91 O=C(O)/C=C/C1=NC=CC=N1 MCULE-3443030394 [0,0,0,0,0,1|1,0,0]=2 341 B11R1.91 O=C(O)/C=C/C1=NC=CN=C1 MCULE-3940861248 [0,0,0,0,0,1|0,0,1]=2 342 B11R1.91 O=C(O)C#CC1=CC=CN=C1 MCULE-5191116080 [0,0,0,0,0,1|1,0,2]=4 343 B11R1.91 O=C(O)C#CC1=NC=CC=C1 MCULE-6583868222 [0,0,0,0,0,1|1,0,2]=4 344 B11R1.91 O=C(O)C=CC1=CC=CC=C1 MCULE-4051659199 [0,0,0,0,0,1|2,0,0]=3 345 B11R1.91 O=C(O)C=CC1=CC=NC=C1 MCULE-1159332612 [0,0,0,0,0,1|1,0,1]=3 346 B11R1.91 O=C(O)C=CC1=CCCCC1 MCULE-5190014235 [0,0,0,0,0,1|2,0,1]=4 347 B11R1.91 O=C(O)C=CC1=CN=CC=C1 MCULE-8996562963 [0,0,0,0,0,1|1,0,0]=2 348 B11R1.91 O=C(O)C=CC1=CN=CN=C1 MCULE-6950095460 [0,0,0,0,0,1|0,0,1]=2 349 B11R1.91 O=C(O)C=CC1=NC=CC=C1 MCULE-8328935452 [0,0,0,0,0,1|1,0,0]=2 350 B11R1.91 O=C(O)C=CC1=NC=CC=N1 MCULE-2585714270 [0,0,0,0,0,1|1,0,0]=2 351 B11R1.91 O=C(O)C=CC1=NC=CN=C1 MCULE-1233705513 [0,0,0,0,0,1|0,0,1]=2 352 B11R1.91 O=C(O)C=C[N+]1=CC=CC=C1 MCULE-1063030896 [0,0,0,0,0,1|3,0,0]=4 353 B11R1.91 O=C(O)C=C[N+]1=CC=CC=C1 MCULE-9365726596 [0,0,0,0,0,1|3,0,0]=4 354 B11R1.91 O=C(O)CCC1=CC=CC=N1 MCULE-7798422459 [0,0,0,0,0,1|1,0,2]=4 355 B11R1.91 O=C(O)CCC1=CN=CC=C1 MCULE-9809125467 [0,0,0,0,0,1|1,0,2]=4 356 B11R1.91 O=C(O)CCC1=CN=CN=C1 MCULE-4847571821 [0,0,0,0,0,1|0,0,3]=4 357 B11R1.91 O=C(O)CCC1=NC=CC=C1 MCULE-3850875705 [0,0,0,0,0,1|1,0,2]=4 358 B11R1.91 O=C(O)CCC1=NC=CC=C1 MCULE-7947562908 [0,0,0,0,0,1|1,0,2]=4 359 B11R1.91 O=C(O)CCC1=NC=CC=N1 MCULE-6402169801 [0,0,0,0,0,1|1,0,2]=4 360 B11R1.91 O=C(O)CCC1=NC=CN=C1 MCULE-1475251267 [0,0,0,0,0,1|0,0,3]=4 361 B11R1.91 O=C(O)CCC1=NC=NC=C1 MCULE-1053932202 [0,0,0,0,0,1|0,0,3]=4 362 B11R1.91 O=C(O)CCC1=NN=CC=C1 MCULE-2530115442 [0,0,0,0,0,1|1,0,2]=4 363 B11R1.91 O=C(O)CNC1=CC=CN=C1 MCULE-1578102322 [0,0,0,0,0,1|2,0,1]=4 364 B11R1.91 O=C(O)CNC1=CC=CN=C1 MCULE-6139247264 [0,0,0,0,0,1|2,0,1]=4 365 B11R1.91 O=C(O)CNC1=NC=CC=C1 MCULE-5066813794 [0,0,0,0,0,1|2,0,1]=4 366 B11R1.91 O=C(O)CNC1=NC=CC=C1 MCULE-5626569031 [0,0,0,0,0,1|2,0,1]=4 367 B11R1.91 O=C(O)CNC1=NC=CC=N1 MCULE-1554989372 [0,0,0,0,0,1|2,0,1]=4 368 B11R1.91 O=C(O)COC1=CC=CC=N1 MCULE-4844717094 [0,0,0,0,0,1|2,0,1]=4 369 B11R1.91 O=C(O)COC1=CN=CC=C1 MCULE-1733906903 [0,0,0,0,0,1|2,0,1]=4 370 B11R1.91 O=C(O)COC1=CN=CC=C1 MCULE-2439507515 [0,0,0,0,0,1|2,0,1]=4 371 B11R1.91 O=C(O)COC1=CN=CC=C1 MCULE-3978081968 [0,0,0,0,0,1|2,0,1]=4 372 B11R1.91 O=C(O)COC1=NC=CC=C1 MCULE-2958185004 [0,0,0,0,0,1|2,0,1]=4 373 B11R1.91 O=C(O)COC1=NC=CC=N1 MCULE-4203130703 [0,0,0,0,0,1|2,0,1]=4 374 B11R1.91 O=C(O)COC1=NN=CC=C1 MCULE-3500815204 [0,0,0,0,0,1|2,0,1]=4 375 B11R1.91 O=C(O)CSC1=CC=NC=N1 MCULE-7593533042 [0,0,0,0,0,1|1,0,2]=4 376 B11R1.91 O=C(O)CSC1=NC=CC=C1 MCULE-3224679092 [0,0,0,0,0,1|2,0,1]=4 377 B11R1.91 O=C(O)CSC1=NC=CC=N1 MCULE-2881527695 [0,0,0,0,0,1|2,0,1]=4 378 B11R1.91 O=C(O)CSC1=NN=CC=C1 MCULE-1473695413 [0,0,0,0,0,1|2,0,1]=4 379 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 MCULE-3275895563 [0,0,0,0,0,1|2,0,1]=4 380 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 MCULE-6688127943 [0,0,0,0,0,1|2,0,1]=4 381 B11R1.91 O=C([O-])C=CC1=CC=CC=C1 MCULE-7412134653 [0,0,0,0,0,1|2,0,1]=4 382 B11R1.91 O=N(=O)/C=C/C1=CC=CN=C1 MCULE-8717060212 [0,0,0,0,0,1|2,0,1]=4 383 B11R1.91 O=[N+]([O-])C=CC1=CC=CN=C1 MCULE-1779410044 [0,0,0,0,0,1|2,0,1]=4 384 B11R1.172 CC(=O)NCCC1=CNC=N1 MCULE-3461315237 [0,0,0,0,0,1|1,0,2]=4 385 B11R1.172 CC(=O)NCCC1=CNC=N1 MCULE-3699220753 [0,0,0,0,0,1|1,0,2]=4 386 B11R1.172 O=C(O)C=CCN1C=NC=N1 MCULE-1949769637 [0,0,0,0,0,1|1,0,1]=3 387 B11R1.172 O=C(O)C=CCN1C=NC=N1 MCULE-8439809933 [0,0,0,0,0,1|1,0,1]=3 388 B11R1.172 O=C(O)CCCC1=CNC=C1 MCULE-4973184677 [0,0,0,0,0,1|1,0,2]=4 389 B11R1.172 O=C(O)CCCC1=CNN=N1 MCULE-7548130322 [0,0,0,0,0,1|1,0,2]=4 390 B11R1.172 O=C(O)CCCC1=CNN=N1 MCULE-8015678285 [0,0,0,0,0,1|1,0,2]=4 391 B11R1.172 O=C(O)CSCC1=CSC=N1 MCULE-9430988131 [0,0,0,0,0,1|1,0,2]=4 392 B8R0.4 CC=CC=CC=CC=O MCULE-4270643488 [1,0,1,0,0,0|2,0,0]=4 393 B8R0.7 CCC=CC=CC(=O)O MCULE-2259149573 [1,0,1,0,0,0|1,0,1]=4 394 B8R0.9 C(=CC(=O)NC)C(=O)O MCULE-6946307549 [1,0,1,0,0,0|1,0,1]=4 395 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [1,0,1,0,0,0|1,0,1]=4 396 B8R0.9 CC=C(C)C=CC(=O)O MCULE-4818681786 [1,0,1,0,0,0|1,0,1]=4 397 B8R0.9 CNC(=O)/C=C\C(=O)O MCULE-9272095560 [1,0,1,0,0,0|1,0,1]=4 398 B8R1.8 O=CNC1=CNN=N1 MCULE-8970433130 [2,0,0,0,0,0|2,0,0]=4 399 B8R1.8 OCCC1=CNC=N1 MCULE-7161422691 [2,0,0,0,0,0|0,0,2]=4 400 B8R1.8 ONC=C1C=CC=N1 MCULE-9281053674 [2,0,0,0,0,0|2,0,0]=4 401 B10R0.96 C(=CC(=O)NC(=O)N)C(=O)O MCULE-4345604400 [0,1,1,0,0,0|1,0,1]=4 402 B10R0.96 C(=C\C(=O)NC(=O)N)\C(=O)O MCULE-8812884630 [0,1,1,0,0,0|1,0,1]=4 403 B10R1.11 O=CC=C(Cl)C1=CSC=C1 MCULE-9401380056 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.16 CC1=CC=C(O1)C=CC=O MCULE-3527866291 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.27 C/C(=C\C1=CC=CO1)/C=O MCULE-3479276403 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.27 CC(=CC1=CC=CO1)C=O MCULE-7398331146 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.29 CN1C=CC=C1C=CC=O MCULE-4325165250 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.23 O=C(O)C(=O)C1=CC=CN1 MCULE-9607086039 [0,1,0,0,1,0|1,0,1]=4 409 B10R1.23 O=C(O)C(=O)C1=CC=CO1 MCULE-5129158726 [0,1,0,0,1,0|2,0,0]=4 410 B10R1.23 O=C(O)C(=O)C1=CC=CS1 MCULE-2381062967 [0,1,0,0,1,0|2,0,0]=4 411 B10R1.23 O=C(O)C(=O)C1=CNC=N1 MCULE-8916685899 [0,1,0,0,1,0|0,0,0]=2 412 B10R1.23 O=C(O)C(=O)C1=CSC=C1 MCULE-4791693629 [0,1,0,0,1,0|2,0,0]=4 413 B10R1.23 O=C(O)C(O)C1=CNC=N1 MCULE-3158873766 [0,1,0,0,1,0|0,0,1]=3 414 B10R1.23 O=C(O)C(O)C1=CNC=N1 MCULE-5031403061 [0,1,0,0,1,0|0,0,1]=3 415 B10R1.54 CC1=NC(=CO1)CC(=O)O MCULE-1242473080 [0,1,0,0,1,0|1,0,1]=4 416 B10R1.54 CC1=NC(=CS1)CC(=O)O MCULE-7206370428 [0,1,0,0,1,0|1,0,1]=4 417 B10R1.54 CC1=NC(=NN1)CC(=O)O MCULE-9938800176 [0,1,0,0,1,0|1,0,1]=4 418 B10R1.54 CN1C=C(N=N1)CC(=O)O MCULE-6860538436 [0,1,0,0,1,0|1,0,1]=4 419 B10R1.54 CN1C=C(N=N1)CC(=O)O MCULE-9755797612 [0,1,0,0,1,0|1,0,1]=4 420 B10R1.54 CN1C=CC(=C1)CC(=O)O MCULE-7960244777 [0,1,0,0,1,0|1,0,1]=4 421 B10R1.54 CN1C=NC(=C1)CC(=O)O MCULE-3578579487 [0,1,0,0,1,0|0,0,1]=3 422 B10R1.54 CN1C=NC(=C1)CC(=O)O MCULE-5475235258 [0,1,0,0,1,0|0,0,1]=3 423 B10R1.54 CN1C=NC(=N1)CC(=O)O MCULE-2856698325 [0,1,0,0,1,0|1,0,1]=4 424 B10R1.54 NC1=NC(=CS1)CC(=O)O MCULE-6777008327 [0,1,0,0,1,0|1,0,1]=4 425 B10R1.54 NC1=NC(=CS1)CC(=O)O MCULE-9454800245 [0,1,0,0,1,0|1,0,1]=4 426 B10R1.54 O=C(O)CC1=CSC(=N1)Br MCULE-7021821852 [0,1,0,0,1,0|1,0,1]=4 427 B10R1.54 O=C(O)CC1=CSC(=N1)S MCULE-5232455620 [0,1,0,0,1,0|1,0,1]=4 428 B10R1.64 CC1=C(N=CN1)CC(=O)O MCULE-5024867197 [0,1,0,0,1,0|0,0,1]=3 429 B10R1.64 CC1=C(N=CN1)CC(=O)O MCULE-9587919004 [0,1,0,0,1,0|0,0,1]=3 430 B10R1.64 CC1=C(N=CO1)CC(=O)O MCULE-9878193020 [0,1,0,0,1,0|1,0,1]=4 431 B12R1.21 CC(=O)/C=C/C1=NC=C(C=C1)C MCULE-5181621973 [0,1,0,0,0,1|2,0,0]=4 432 B12R1.21 CC(=O)/C=C/C1=NC=C(C=N1)F MCULE-1699754836 [0,1,0,0,0,1|2,0,0]=4 433 B12R1.21 CC(=O)C=CC1=NC=C(C=C1)C MCULE-6162051128 [0,1,0,0,0,1|2,0,0]=4 434 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)O MCULE-4218057596 [0,1,0,0,0,1|2,0,0]=4 435 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O MCULE-7310353888 [0,1,0,0,0,1|2,0,0]=4 436 B12R1.21 CC1=NC=C(C=N1)/C=C/C(=O)O MCULE-1588481323 [0,1,0,0,0,1|0,0,1]=3 437 B12R1.21 CC1=NC=C(C=N1)C=CC(=O)O MCULE-4553472725 [0,1,0,0,0,1|0,0,1]=3 438 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O MCULE-6477711177 [0,1,0,0,0,1|2,0,0]=4 439 B12R1.21 NC1=CC=C(C=C1)C=CC(=O)O MCULE-9065250783 [0,1,0,0,0,1|2,0,0]=4 440 B12R1.21 NC1=NC=C(C=C1)/C=C/C(=O)O MCULE-9571181864 [0,1,0,0,0,1|1,0,0]=3 441 B12R1.21 NC1=NC=C(C=C1)C=CC(=O)O MCULE-9262977474 [0,1,0,0,0,1|1,0,0]=3 442 B12R1.21 NC1=NC=C(C=N1)/C=C/C(=O)O MCULE-6793915302 [0,1,0,0,0,1|0,0,1]=3 443 B12R1.21 NC1=NC=C(C=N1)C=CC(=O)O MCULE-2723647833 [0,1,0,0,0,1|0,0,1]=3 444 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Br MCULE-4289979015 [0,1,0,0,0,1|2,0,0]=4 445 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Cl MCULE-4318861622 [0,1,0,0,0,1|2,0,0]=4 446 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)F MCULE-9538614113 [0,1,0,0,0,1|2,0,0]=4 447 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)I MCULE-3328397950 [0,1,0,0,0,1|2,0,0]=4 448 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)O MCULE-9551292063 [0,1,0,0,0,1|2,0,0]=4 449 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)S MCULE-2486115993 [0,1,0,0,0,1|2,0,0]=4 450 B12R1.21 O=C(O)/C=C/C1=CC=C(N=C1)Br MCULE-9625493002 [0,1,0,0,0,1|1,0,0]=3 451 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)Cl MCULE-4772490742 [0,1,0,0,0,1|1,0,0]=3 452 B12R1.21 O=C(O)/C=C/C1=NC=C(C=C1)F MCULE-2551687293 [0,1,0,0,0,1|1,0,0]=3 453 B12R1.21 O=C(O)/C=C/C1=NC=C(C=C1)F MCULE-9601983386 [0,1,0,0,0,1|1,0,0]=3 454 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br MCULE-6214703716 [0,1,0,0,0,1|2,0,0]=4 455 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl MCULE-6051545485 [0,1,0,0,0,1|2,0,0]=4 456 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)F MCULE-8711973543 [0,1,0,0,0,1|2,0,0]=4 457 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)I MCULE-2006397145 [0,1,0,0,0,1|2,0,0]=4 458 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O MCULE-2590309260 [0,1,0,0,0,1|2,0,0]=4 459 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)S MCULE-4579832892 [0,1,0,0,0,1|2,0,0]=4 460 B12R1.21 O=C(O)C=CC1=CC=C(N=C1)Br MCULE-1067022604 [0,1,0,0,0,1|1,0,0]=3 461 B12R1.21 O=C(O)C=CC1=CN=C(C=C1)Cl MCULE-5983392112 [0,1,0,0,0,1|1,0,0]=3 462 B12R1.21 O=C(O)C=CC1=NC=C(C=C1)F MCULE-3616932768 [0,1,0,0,0,1|1,0,0]=3 463 B12R1.21 O=C(O)C=CC1=NC=C(C=C1)F MCULE-9950644550 [0,1,0,0,0,1|1,0,0]=3 464 B12R1.21 [NH3+]C1=CC=C(C=C1)C=CC(=O)O MCULE-3210030968 [0,1,0,0,0,1|2,0,0]=4 465 B12R1.27 COC(=O)/C=C/C1=CC=CC=C1 MCULE-2483911454 [0,1,0,0,0,1|2,0,0]=4 466 B12R1.27 COC(=O)/C=C/C1=CC=NC=C1 MCULE-6497290944 [0,1,0,0,0,1|1,0,1]=4 467 B12R1.27 COC(=O)/C=C/C1=CN=CC=C1 MCULE-5115987081 [0,1,0,0,0,1|1,0,0]=3 468 B12R1.27 COC(=O)C=CC1=CC=CC=C1 MCULE-1030097873 [0,1,0,0,0,1|2,0,0]=4 469 B12R1.27 COC(=O)C=CC1=CC=CN=C1 MCULE-1707015902 [0,1,0,0,0,1|1,0,0]=3 470 B12R1.27 COC(=O)C=CC1=CC=NC=C1 MCULE-9755170519 [0,1,0,0,0,1|1,0,1]=4 471 B12R1.27 COC(=O)C=CC1=CN=CN=C1 MCULE-7839991795 [0,1,0,0,0,1|0,0,1]=3 472 B12R1.27 COC(=O)C=CC1=NC=CC=C1 MCULE-9037911831 [0,1,0,0,0,1|1,0,0]=3 473 B12R1.27 COC(=O)C=CC1=NC=CN=C1 MCULE-2654585882 [0,1,0,0,0,1|0,0,1]=3 474 B12R1.27 NNC(=O)C=CC1=CC=CN=C1 MCULE-9721752985 [0,1,0,0,0,1|2,0,0]=4 475 B12R1.27 O=C(C=CC1=CC=CC=C1)NO MCULE-6631204989 [0,1,0,0,0,1|2,0,0]=4 476 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O MCULE-2320385089 [0,1,0,0,0,1|2,0,0]=4 477 B12R1.43 C/C(=C\C1=CC=CC=N1)/C(=O)O MCULE-7937709933 [0,1,0,0,0,1|1,0,0]=3 478 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O MCULE-9237421946 [0,1,0,0,0,1|2,0,0]=4 479 B12R1.43 CC(=CC1=CC=NC=C1)C(=O)O MCULE-4497311492 [0,1,0,0,0,1|1,0,1]=4 480 B12R1.43 CC(=CC1=CC=NC=C1)C(=O)O MCULE-9348219643 [0,1,0,0,0,1|1,0,1]=4 481 B12R1.43 CC(=CC1=CN=CC=C1)C(=O)O MCULE-3384877642 [0,1,0,0,0,1|1,0,0]=3 482 B12R1.43 CC(=CC1=CN=CC=C1)C(=O)O MCULE-7592730750 [0,1,0,0,0,1|1,0,0]=3 483 B12R1.43 CC(=CC1=NC=CC=C1)C(=O)N MCULE-5204453044 [0,1,0,0,0,1|2,0,0]=4 484 B12R1.43 CC(=CC1=NC=CC=C1)C(=O)O MCULE-1302740145 [0,1,0,0,0,1|1,0,0]=3 485 B12R1.43 CC(=CC1=NC=CC=C1)C(=O)O MCULE-2513369896 [0,1,0,0,0,1|1,0,0]=3 486 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl MCULE-5967816434 [0,1,0,0,0,1|2,0,0]=4 487 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/F MCULE-1278212404 [0,1,0,0,0,1|2,0,0]=4 488 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/O MCULE-9639825195 [0,1,0,0,0,1|2,0,0]=4 489 B12R1.43 O=C(O)/C(=C/C1=CC=CN=C1)/F MCULE-3005239361 [0,1,0,0,0,1|1,0,0]=3 490 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)Cl MCULE-1012118487 [0,1,0,0,0,1|2,0,0]=4 491 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)F MCULE-5587932542 [0,1,0,0,0,1|2,0,0]=4 492 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O MCULE-9904864252 [0,1,0,0,0,1|2,0,0]=4 493 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S MCULE-7966134349 [0,1,0,0,0,1|2,0,0]=4 494 B12R1.43 O=C(O)C(=CC1=CC=CN=C1)S MCULE-9764587748 [0,1,0,0,0,1|1,0,0]=3 495 B12R1.43 O=C(O)C(=CC1=CN=CC=C1)F MCULE-3500064918 [0,1,0,0,0,1|1,0,0]=3 496 B12R1.43 O=C(O)C(=CC1=CN=CC=C1)F MCULE-5834768457 [0,1,0,0,0,1|1,0,0]=3 497 B12R1.43 O=C(O)C(=O)NC1=CC=CC=N1 MCULE-4370089229 [0,1,0,0,0,1|2,0,0]=4 498 B12R1.43 O=C(O)C(=O)NC1=CC=CN=C1 MCULE-9086642065 [0,1,0,0,0,1|2,0,0]=4 499 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 MCULE-7874888021 [0,1,0,0,0,1|2,0,0]=4 500 B12R1.107 CC(=CC(=O)O)C1=CC=CC=C1 MCULE-4290555990 [0,1,0,0,0,1|2,0,0]=4 501 B12R1.107 CC(=CC(=O)O)C1=CN=CC=C1 MCULE-6378178409 [0,1,0,0,0,1|1,0,0]=3 502 B12R1.107 CC(=O)C=C(O)C1=CC=CC=N1 MCULE-2468013070 [0,1,0,0,0,1|2,0,0]=4 503 B12R1.125 CC1=C(C=NC=C1)C=CC(=O)O MCULE-1492169042 [0,1,0,0,0,1|1,0,0]=3 504 B12R1.125 CC1=C(C=NC=C1)C=CC(=O)O MCULE-5135224370 [0,1,0,0,0,1|1,0,0]=3 505 B12R1.125 CC1=C(N=CC=C1)C=CC(=O)O MCULE-2497119427 [0,1,0,0,0,1|1,0,0]=3 506 B12R1.125 CC1=C(N=CC=C1)C=CC(=O)O MCULE-3158859403 [0,1,0,0,0,1|1,0,0]=3 507 B12R1.125 CC1=CC=CC=C1/C=C/C(=O)O MCULE-4568393226 [0,1,0,0,0,1|2,0,0]=4 508 B12R1.125 CC1=CC=CC=C1C=CC(=O)O MCULE-7568109044 [0,1,0,0,0,1|2,0,0]=4 509 B12R1.125 CC1=NC=CC=C1/C=C/C(=O)O MCULE-4255573583 [0,1,0,0,0,1|1,0,0]=3 510 B12R1.125 NC1=C(C=CC=C1)C=CC(=O)O MCULE-1813623710 [0,1,0,0,0,1|2,0,0]=4 511 B12R1.125 NC1=C(C=CC=N1)C=CC(=O)O MCULE-2950226173 [0,1,0,0,0,1|1,0,0]=3 512 B12R1.125 NC1=CC=NC=C1C=CC(=O)O MCULE-4130517568 [0,1,0,0,0,1|1,0,0]=3 513 B12R1.125 NC1=NC=CC=C1/C=C/C(=O)O MCULE-3009837322 [0,1,0,0,0,1|1,0,0]=3 514 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Br MCULE-9715214740 [0,1,0,0,0,1|2,0,0]=4 515 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)F MCULE-5550079587 [0,1,0,0,0,1|2,0,0]=4 516 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)O MCULE-5451854573 [0,1,0,0,0,1|2,0,0]=4 517 B12R1.125 O=C(O)/C=C/C1=C(C=NC=C1)F MCULE-4119074797 [0,1,0,0,0,1|1,0,1]=4 518 B12R1.125 O=C(O)/C=C/C1=CC=CC=C1Cl MCULE-6586897772 [0,1,0,0,0,1|2,0,0]=4 519 B12R1.125 O=C(O)/C=C/C1=CC=CC=C1I MCULE-4367628203 [0,1,0,0,0,1|2,0,0]=4 520 B12R1.125 O=C(O)C=CC1=C(C=CC=C1)Br MCULE-1992481262 [0,1,0,0,0,1|2,0,0]=4 521 B12R1.125 O=C(O)C=CC1=C(C=CC=C1)F MCULE-2337664175 [0,1,0,0,0,1|2,0,0]=4 522 B12R1.125 O=C(O)C=CC1=C(C=CC=C1)I MCULE-8228854548 [0,1,0,0,0,1|2,0,0]=4 523 B12R1.125 O=C(O)C=CC1=C(C=CC=C1)O MCULE-7485332494 [0,1,0,0,0,1|2,0,0]=4 524 B12R1.125 O=C(O)C=CC1=C(C=NC=C1)F MCULE-2071172197 [0,1,0,0,0,1|1,0,1]=4 525 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl MCULE-7865645572 [0,1,0,0,0,1|2,0,0]=4 526 B12R1.125 O=C(O)C=CC1=CN=CNC1=O MCULE-4729520485 [0,1,0,0,0,1|0,0,0]=2 527 B12R1.226 CC(=O)/C=C/C1=NC(=CC=C1)Br MCULE-1311369874 [0,1,0,0,0,1|2,0,0]=4 528 B12R1.226 CC1=CC(=CC=N1)/C=C/C(=O)O MCULE-3248263659 [0,1,0,0,0,1|1,0,1]=4 529 B12R1.226 CC1=CC=CC(=C1)/C=C/C(=O)O MCULE-8374932634 [0,1,0,0,0,1|2,0,0]=4 530 B12R1.226 CC1=CC=CC(=C1)C=CC(=O)O MCULE-3959203742 [0,1,0,0,0,1|2,0,0]=4 531 B12R1.226 CC1=CC=CC(=N1)/C=C/C(=O)O MCULE-2040763678 [0,1,0,0,0,1|1,0,0]=3 532 B12R1.226 CC1=CC=CC(=N1)/C=C\C(=O)O MCULE-4639232836 [0,1,0,0,0,1|1,0,0]=3 533 B12R1.226 CC1=CC=CC(=N1)C=CC(=O)O MCULE-6333063225 [0,1,0,0,0,1|1,0,0]=3 534 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O MCULE-7167283449 [0,1,0,0,0,1|2,0,0]=4 535 B12R1.226 NC1=CC(=CC=C1)C=CC(=O)O MCULE-5453082320 [0,1,0,0,0,1|2,0,0]=4 536 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Cl MCULE-1720842356 [0,1,0,0,0,1|2,0,0]=4 537 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)F MCULE-2603258292 [0,1,0,0,0,1|2,0,0]=4 538 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)I MCULE-9847298098 [0,1,0,0,0,1|2,0,0]=4 539 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)O MCULE-5006038728 [0,1,0,0,0,1|2,0,0]=4 540 B12R1.226 O=C(O)/C=C/C1=CC=CC(=C1)Br MCULE-4180809927 [0,1,0,0,0,1|2,0,0]=4 541 B12R1.226 O=C(O)/C=C\C1=CC(=NC=C1)Cl MCULE-3955229529 [0,1,0,0,0,1|1,0,1]=4 542 B12R1.226 O=C(O)C=CC1=CC(=CC=C1)Cl MCULE-5483586899 [0,1,0,0,0,1|2,0,0]=4 543 B12R1.226 O=C(O)C=CC1=CC(=CC=C1)I MCULE-7006843197 [0,1,0,0,0,1|2,0,0]=4 544 B12R1.226 O=C(O)C=CC1=CC(=CC=C1)O MCULE-2569094851 [0,1,0,0,0,1|2,0,0]=4 545 B12R1.226 O=C(O)C=CC1=CC(=CN=C1)F MCULE-9122757719 [0,1,0,0,0,1|1,0,0]=3 546 B12R1.226 O=C(O)C=CC1=CC(=NC=C1)Cl MCULE-8435129146 [0,1,0,0,0,1|1,0,1]=4 547 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br MCULE-1630202729 [0,1,0,0,0,1|2,0,0]=4 548 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)F MCULE-6918071243 [0,1,0,0,0,1|2,0,0]=4 549 B12R1.226 O=C(O)C=CC1=CC=CC(=N1)Br MCULE-2180401449 [0,1,0,0,0,1|1,0,0]=3 550 B12R1.54 O=C(O)C=CC(=O)C1=CC=CS1 MCULE-2390407235 [0,1,0,0,0,1|2,0,0]=4 551 B12R1.54 O=C(O)CNC(=O)C1=CSC=N1 MCULE-4778102083 [0,1,0,0,0,1|1,0,1]=4 552 B12R1.264 O=C(O)C(=O)C=CC1=CC=CO1 MCULE-1023996256 [0,1,0,0,0,1|2,0,0]=4 553 B12R1.264 O=C(O)C(=O)C=CC1=CC=CS1 MCULE-3493980124 [0,1,0,0,0,1|2,0,0]=4 554 B12R1.477 COC(=O)C=CCN1C=NC=N1 MCULE-9991477264 [0,1,0,0,0,1|1,0,1]=4 555 B12R1.26 COC(=O)/C=C/C1=CC(=CS1)Br MCULE-8329797896 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.26 COC(=O)/C=C/C1=CC=C(S1)Br MCULE-4409915901 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.26 COC(=O)/C=C/C1=CN(N=C1)C MCULE-4318691481 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.26 COC(=O)/C=C/C1=CN=C(N1)C MCULE-9836197492 [0,2,0,0,0,0|0,0,2]=4 559 B12R1.26 COC(=O)/C=C/C1=NC(=NN1)Cl MCULE-6210379108 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.26 COC(=O)/C=C\C1=NC(=NN1)Br MCULE-6679551495 [0,2,0,0,0,0|1,0,1]=4 561 B12R1.26 COC(=O)/C=C\C1=NNC(=N1)Cl MCULE-1540693037 [0,2,0,0,0,0|1,0,0]=3 562 B12R1.26 COC(=O)/C=C\C1=NNC(=N1)Cl MCULE-6672830732 [0,2,0,0,0,0|1,0,0]=3 563 B12R1.26 COC(=O)/C=C\C1=NNC(=N1)N MCULE-1502489061 [0,2,0,0,0,0|1,0,0]=3 564 B12R1.26 COC(=O)C=CC1=CC(=CS1)Br MCULE-7679308026 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.26 COC(=O)C=CC1=CC=C(O1)Br MCULE-2606508894 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.26 COC(=O)C=CC1=CN(N=C1)C MCULE-1537216167 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.26 COC(=O)C=CC1=NC(=NN1)Br MCULE-5623053467 [0,2,0,0,0,0|1,0,1]=4 568 B12R1.26 COC(=O)C=CC1=NC(=NN1)Cl MCULE-7053512676 [0,2,0,0,0,0|1,0,1]=4 569 B12R1.26 COC(=O)C=CC1=NC(=NN1)N MCULE-3805464158 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.26 COC(=O)C=CC1=NNC(=N1)Cl MCULE-2272746258 [0,2,0,0,0,0|1,0,0]=3 571 B12R1.26 COC(=O)C=CC1=NNC(=N1)N MCULE-8698296703 [0,2,0,0,0,0|1,0,0]=3 572 B12R1.51 CCOC(=O)/C=C/C1=CC=CN1 MCULE-5834777761 [0,2,0,0,0,0|1,0,1]=4 573 B12R1.51 CCOC(=O)/C=C/C1=CC=CO1 MCULE-7171775414 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.51 CCOC(=O)/C=C/C1=CC=CS1 MCULE-5761265420 [0,2,0,0,0,0|2,0,0]=4 575 B12R1.51 CCOC(=O)/C=C/C1=CN=CS1 MCULE-5660176529 [0,2,0,0,0,0|1,0,1]=4 576 B12R1.51 CCOC(=O)/C=C/C1=CSC=C1 MCULE-1935777312 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.51 CCOC(=O)/C=C/C1=CSC=N1 MCULE-3079678503 [0,2,0,0,0,0|1,0,0]=3 578 B12R1.51 CCOC(=O)C=CC1=CC=CO1 MCULE-9891032976 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.51 CCOC(=O)C=CC1=CC=CS1 MCULE-4827683535 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.51 CCOC(=O)C=CC1=CN=CS1 MCULE-2056729826 [0,2,0,0,0,0|1,0,1]=4 581 B12R1.51 CCOC(=O)C=CC1=CNC=N1 MCULE-6417473993 [0,2,0,0,0,0|0,0,0]=2 582 B12R1.51 CCOC(=O)C=CC1=CSC=C1 MCULE-1037834889 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.51 CCOC(=O)C=CC1=CSC=N1 MCULE-5732378649 [0,2,0,0,0,0|1,0,0]=3 584 B12R1.108 COC(=O)C(=CC1=CC=CS1)O MCULE-2678751476 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.108 COC(=O)C(N)CC1=CNC=N1 MCULE-1382272909 [0,2,0,0,0,0|0,0,2]=4 586 B12R1.108 COC(=O)C(N)CC1=CNC=N1 MCULE-9468241244 [0,2,0,0,0,0|0,0,2]=4 587 B12R1.108 COC(=O)[C@@H](N)CC1=CNC=N1 MCULE-2089031152 [0,2,0,0,0,0|0,0,2]=4 588 B12R1.108 COC(=O)[C@@H](N)CC1=CNC=N1 MCULE-3117511084 [0,2,0,0,0,0|0,0,2]=4 589 B12R1.108 COC(=O)[C@@H](N)CC1=CNC=N1 MCULE-6830070848 [0,2,0,0,0,0|0,0,2]=4 590 B12R1.108 COC(=O)[C@@H](N)CC1=CNC=N1 MCULE-7101749470 [0,2,0,0,0,0|0,0,2]=4 591 B12R1.108 COC(=O)[C@@H](N)CC1=CNC=N1 MCULE-8175090296 [0,2,0,0,0,0|0,0,2]=4 592 B12R1.108 COC(=O)[C@H](N)CC1=CNC=N1 MCULE-3243651519 [0,2,0,0,0,0|0,0,2]=4 593 B12R1.108 COC(=O)[C@H](N)CC1=CNC=N1 MCULE-5122189343 [0,2,0,0,0,0|0,0,2]=4 594 B12R1.108 COC(=O)[C@H](N)CC1=CNC=N1 MCULE-6260177060 [0,2,0,0,0,0|0,0,2]=4 595 B12R1.108 COC(=O)[C@H](N)CC1=CNC=N1 MCULE-8406890275 [0,2,0,0,0,0|0,0,2]=4 596 B12R1.108 [C@@H](N)(CC1=CNC=N1)C(=O)OC MCULE-1504920942 [0,2,0,0,0,0|0,0,2]=4 597 B12R1.108 [C@@H](N)(CC1=CNC=N1)C(=O)OC MCULE-3487476144 [0,2,0,0,0,0|0,0,2]=4 598 B12R1.104 CC(=CC1=CC=C(O1)Br)C(=O)O MCULE-9577832792 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.104 CC1=CC=C(O1)/C=C(/C)\C(=O)O MCULE-4381782949 [0,2,0,0,0,0|2,0,0]=4 600 B12R1.104 CN1C=NC(=C1)CC(N)C(=O)O MCULE-5486079144 [0,2,0,0,0,0|0,0,2]=4 601 B12R1.104 CN1C=NC(=C1)C[C@@H](N)C(=O)O MCULE-3613192458 [0,2,0,0,0,0|0,0,2]=4 602 B12R1.104 CN1C=NC(=C1)C[C@@H](N)C(=O)O MCULE-8344880310 [0,2,0,0,0,0|0,0,2]=4 603 B12R1.104 CN1C=NC(=C1)C[C@@H](N)C(=O)O MCULE-8858003477 [0,2,0,0,0,0|0,0,2]=4 604 B12R1.104 CN1C=NC(=C1)C[C@H](N)C(=O)O MCULE-3965514306 [0,2,0,0,0,0|0,0,2]=4 605 B12R1.104 CN1C=NC(=C1)C[C@H](N)C(=O)O MCULE-4475333124 [0,2,0,0,0,0|0,0,2]=4 606 B12R1.104 CN1C=NC(=C1)C[C@H](N)C(=O)O MCULE-5149650387 [0,2,0,0,0,0|0,0,2]=4 607 B12R1.104 CN1C=NC(=C1)C[C@H](N)C(=O)O MCULE-9575114305 [0,2,0,0,0,0|0,0,2]=4 608 B12R1.104 NC(CC1=CNC(=N1)S)C(=O)O MCULE-9465947211 [0,2,0,0,0,0|0,0,2]=4 609 B12R1.104 NC1=NC(=CN1)C[C@H](N)C(=O)O MCULE-6106532520 [0,2,0,0,0,0|0,0,2]=4 610 B12R1.104 N[C@@H](CC1=CNC(=N1)O)C(=O)O MCULE-9186293071 [0,2,0,0,0,0|0,0,2]=4 611 B12R1.104 N[C@@H](CC1=CNC(=N1)S)C(=O)O MCULE-9093847859 [0,2,0,0,0,0|0,0,2]=4 612 B12R1.298 CNC(CC1=CNC=N1)C(=O)O MCULE-3468413328 [0,2,0,0,0,0|0,0,2]=4 613 B12R1.298 CNC(CC1=CNC=N1)C(=O)O MCULE-5120111645 [0,2,0,0,0,0|0,0,2]=4 614 B12R1.298 CNC(CC1=CNC=N1)C(=O)O MCULE-9037833083 [0,2,0,0,0,0|0,0,2]=4 615 B12R1.298 CN[C@@H](CC1=CNC=N1)C(=O)O MCULE-2344748112 [0,2,0,0,0,0|0,0,2]=4 616 B12R1.298 CN[C@@H](CC1=CNC=N1)C(=O)O MCULE-3787836793 [0,2,0,0,0,0|0,0,2]=4 617 B12R1.298 CN[C@@H](CC1=CNC=N1)C(=O)O MCULE-4956436206 [0,2,0,0,0,0|0,0,2]=4 618 B12R1.298 CN[C@@H](CC1=CNC=N1)C(=O)O MCULE-6672172984 [0,2,0,0,0,0|0,0,2]=4 619 B12R1.298 CN[C@H](CC1=CNC=N1)C(=O)O MCULE-1286452065 [0,2,0,0,0,0|0,0,2]=4 620 B12R1.298 CN[C@H](CC1=CNC=N1)C(=O)O MCULE-6136956486 [0,2,0,0,0,0|0,0,2]=4 621 B12R1.298 CN[C@H](CC1=CNC=N1)C(=O)O MCULE-6660467173 [0,2,0,0,0,0|0,0,2]=4 622 B12R1.298 CN[C@H](CC1=CNC=N1)C(=O)O MCULE-8650714391 [0,2,0,0,0,0|0,0,2]=4 623 B12R1.298 N#C/C(=C/C1=CC=CN1)/C(=O)O MCULE-2685824406 [0,2,0,0,0,0|1,0,1]=4 624 B12R1.298 N#C/C(=C/C1=CC=CO1)/C(=O)O MCULE-8066559531 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.298 N#C/C(=C/C1=CSC=C1)/C(=O)O MCULE-7602683796 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.298 N#C/C(=C\C1=CC=CS1)/C(=O)O MCULE-1318138263 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.298 N#C/C(=C\C1=COC=C1)/C(=O)O MCULE-6463787204 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.298 N#C/C(=C\C1=NC=CS1)/C(=O)O MCULE-8013718348 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.298 N#CC(=CC1=CC=CN1)C(=O)O MCULE-5016646146 [0,2,0,0,0,0|1,0,1]=4 630 B12R1.298 N#CC(=CC1=CC=CO1)C(=O)O MCULE-2529264063 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.298 N#CC(=CC1=CC=CS1)C(=O)O MCULE-9274500443 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.298 N#CC(=CC1=CN=CS1)C(=O)O MCULE-3055087747 [0,2,0,0,0,0|1,0,1]=4 633 B12R1.298 N#CC(=CC1=CSC=C1)C(=O)O MCULE-5995257762 [0,2,0,0,0,0|2,0,0]=4 634 B12R1.298 N#CC(=CC1=NC=CS1)C(=O)O MCULE-2116660229 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.1373 CC(N)(CC1=CNC=N1)C(=O)O MCULE-3037820078 [0,2,0,0,0,0|0,0,2]=4 636 B12R1.1373 CC(N)(CC1=CNC=N1)C(=O)O MCULE-6308670546 [0,2,0,0,0,0|0,0,2]=4 637 B12R1.59 CCC1=CC=C(O1)C=CC(=O)O MCULE-7329795598 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.59 CCC1=CC=C(S1)C=CC(=O)O MCULE-2899393363 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.59 CCN1C=C(C=N1)/C=C/C(=O)O MCULE-8744437455 [0,2,0,0,0,0|2,0,0]=4 640 B12R1.59 CCN1C=C(C=N1)C=CC(=O)O MCULE-5981113378 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.59 CCN1C=CC(=N1)C=CC(=O)O MCULE-6252276934 [0,2,0,0,0,0|2,0,0]=4 642 B12R1.59 CSC1=CC=C(S1)C=CC(=O)O MCULE-4751959713 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.59 O=C(O)C=CC1=CC(=CS1)CO MCULE-6318769358 [0,2,0,0,0,0|2,0,0]=4 644 B12R1.103 CC(=CC(=O)O)C1=CN(N=C1)C MCULE-2978857656 [0,2,0,0,0,0|2,0,0]=4 645 B12R1.110 CC1=CC(=NN1C)C=CC(=O)O MCULE-4191288535 [0,2,0,0,0,0|2,0,0]=4 646 B12R1.110 CN1N=C(C=C1F)C=CC(=O)O MCULE-7618751046 [0,2,0,0,0,0|2,0,0]=4 647 B12R1.861 CC1=NN(C=C1/C=C/C(=O)O)C MCULE-1304419660 [0,2,0,0,0,0|2,0,0]=4 648 B12R1.861 CC1=NN(C=C1C=CC(=O)O)C MCULE-5080587358 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.870 CC1=C(C=NN1C)/C=C/C(=O)O MCULE-8592597846 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.870 CC1=C(C=NN1C)C=CC(=O)O MCULE-5491804532 [0,2,0,0,0,0|2,0,0]=4 651 B12R1.895 CC1=NNC(=C1/C=C/C(=O)O)C MCULE-8384828631 [0,2,0,0,0,0|2,0,0]=4 652 B12R1.895 CC1=NNC(=C1C=CC(=O)O)C MCULE-4351647368 [0,2,0,0,0,0|2,0,0]=4 653 B10R1.18 O=C(O)CC1=CC=CN=C1 MCULE-5025740933 [0,0,1,1,0,0|1,0,1]=4 654 B10R1.18 O=C(O)CC1=CN=CC=C1 MCULE-7568450264 [0,0,1,1,0,0|1,0,1]=4 655 B10R1.18 O=C(O)CC1=CN=CN=C1 MCULE-5355497283 [0,0,1,1,0,0|0,0,2]=4 656 B10R1.18 O=C(O)CC1=CN=CN=C1 MCULE-7234097881 [0,0,1,1,0,0|0,0,2]=4 657 B10R1.18 O=C(O)CC1=NC=CC=C1 MCULE-3223507615 [0,0,1,1,0,0|1,0,1]=4 658 B10R1.18 O=C(O)CC1=NC=CC=C1 MCULE-6540788884 [0,0,1,1,0,0|1,0,1]=4 659 B10R1.18 O=C(O)CC1=NC=NC=C1 MCULE-5590967773 [0,0,1,1,0,0|0,0,2]=4 660 B10R1.39 C=CN1C=CC=C1C(=O)O MCULE-8632612652 [0,0,1,1,0,0|1,0,0]=3 661 B10R1.39 C=CN1N=CC=C1C(=O)O MCULE-5917448333 [0,0,1,1,0,0|2,0,0]=4 662 B10R1.39 CCN1C=CC=C1C(=O)O MCULE-8676474840 [0,0,1,1,0,0|1,0,1]=4 663 B10R1.61 CC(=O)C1=CC=CNC1=O MCULE-8332051237 [0,0,1,1,0,0|2,0,0]=4 664 B10R1.61 CC1=C(C=CC=C1)C(=O)O MCULE-8662697935 [0,0,1,1,0,0|2,0,0]=4 665 B10R1.61 CC1=C(C=CC=N1)C(=O)O MCULE-1358504120 [0,0,1,1,0,0|1,0,1]=4 666 B10R1.61 CC1=C(C=CC=N1)C(=O)O MCULE-1760335656 [0,0,1,1,0,0|1,0,1]=4 667 B10R1.61 CC1=C(C=CN=C1)C(=O)O MCULE-4068777983 [0,0,1,1,0,0|1,0,1]=4 668 B10R1.61 CC1=C(C=CN=C1)C(=O)O MCULE-4098532555 [0,0,1,1,0,0|1,0,1]=4 669 B10R1.61 NC(=O)C1=CC=CNC1=O MCULE-5159050018 [0,0,1,1,0,0|2,0,0]=4 670 B10R1.61 NC1=C(C=CC=C1)C(=O)O MCULE-8970106555 [0,0,1,1,0,0|1,0,1]=4 671 B10R1.61 NC1=CN=CC=C1C(=O)O MCULE-9282322392 [0,0,1,1,0,0|2,0,0]=4 672 B10R1.61 NC1=NC=CC=C1C(=O)O MCULE-3175833110 [0,0,1,1,0,0|0,0,2]=4 673 B10R1.61 O=C(O)C1=C(C=CC=C1)Br MCULE-3239222085 [0,0,1,1,0,0|2,0,0]=4 674 B10R1.61 O=C(O)C1=C(C=CC=C1)Cl MCULE-1696137032 [0,0,1,1,0,0|2,0,0]=4 675 B10R1.61 O=C(O)C1=C(C=CC=C1)O MCULE-4238157211 [0,0,1,1,0,0|2,0,0]=4 676 B10R1.61 O=C(O)C1=C(C=CC=C1)S MCULE-8297385152 [0,0,1,1,0,0|2,0,0]=4 677 B10R1.61 O=C(O)C1=C(C=NC=C1)Cl MCULE-2538567621 [0,0,1,1,0,0|2,0,0]=4 678 B10R1.61 O=C(O)C1=C(C=NC=C1)F MCULE-4354141649 [0,0,1,1,0,0|2,0,0]=4 679 B10R1.61 O=C(O)C1=C(C=NC=C1)I MCULE-5814291278 [0,0,1,1,0,0|2,0,0]=4 680 B10R1.61 O=C(O)C1=C(C=NC=C1)O MCULE-6913534695 [0,0,1,1,0,0|2,0,0]=4 681 B10R1.61 O=C(O)C1=C(N=CC=C1)Cl MCULE-9186493058 [0,0,1,1,0,0|1,0,1]=4 682 B10R1.61 O=C(O)C1=C(N=CC=C1)I MCULE-4031419128 [0,0,1,1,0,0|1,0,1]=4 683 B10R1.61 O=C(O)C1=CC=CC=C1F MCULE-2885931404 [0,0,1,1,0,0|2,0,0]=4 684 B10R1.61 O=C(O)C1=CC=CC=C1I MCULE-5987010449 [0,0,1,1,0,0|2,0,0]=4 685 B10R1.61 O=C(O)C1=CC=CC=C1O MCULE-8407868694 [0,0,1,1,0,0|2,0,0]=4 686 B10R1.61 O=C(O)C1=CC=CC=C1O MCULE-8756695354 [0,0,1,1,0,0|2,0,0]=4 687 B10R1.61 O=C(O)C1=CC=CC=C1O MCULE-9332636114 [0,0,1,1,0,0|2,0,0]=4 688 B10R1.61 O=C(O)C1=CC=CN=C1Br MCULE-2307647512 [0,0,1,1,0,0|1,0,1]=4 689 B10R1.61 O=C(O)C1=CC=CN=C1F MCULE-8936365151 [0,0,1,1,0,0|1,0,1]=4 690 B10R1.61 O=C(O)C1=CC=CN=C1O MCULE-3119679537 [0,0,1,1,0,0|1,0,1]=4 691 B10R1.61 O=C(O)C1=CC=CN=C1S MCULE-9687940814 [0,0,1,1,0,0|1,0,1]=4 692 B10R1.61 O=C(O)C1=CC=COC1=O MCULE-7272938902 [0,0,1,1,0,0|2,0,0]=4 693 B10R1.61 O=C(O)C1=CC=NC=C1Br MCULE-2837047087 [0,0,1,1,0,0|2,0,0]=4 694 B10R1.61 O=C(O)C1=CC=NNC1=O MCULE-5812037295 [0,0,1,1,0,0|2,0,0]=4 695 B10R1.31 C=CC1=CSC(=C1)C(=O)O MCULE-6794566068 [0,0,1,1,0,0|2,0,0]=4 696 B10R1.31 C=CN1C=C(C=N1)C(=O)O MCULE-3490878690 [0,0,1,1,0,0|2,0,0]=4 697 B10R1.31 CCC1=CNC(=C1)C(=O)O MCULE-4200710595 [0,0,1,1,0,0|1,0,1]=4 698 B10R1.31 COC1=CNC(=C1)C(=O)O MCULE-9615794664 [0,0,1,1,0,0|1,0,1]=4 699 B10R1.31 CSC1=CNC(=C1)C(=O)O MCULE-1443964625 [0,0,1,1,0,0|1,0,1]=4 700 B10R1.31 N#CC1=CNC(=C1)C(=O)O MCULE-7765856417 [0,0,1,1,0,0|2,0,0]=4 701 B10R1.31 NCC1=CC(=CO1)C(=O)O MCULE-8009916414 [0,0,1,1,0,0|1,0,1]=4 702 B10R1.31 NCC1=CC(=CO1)C(=O)O MCULE-8081573675 [0,0,1,1,0,0|1,0,1]=4 703 B10R1.31 NCC1=NC=C(S1)C(=O)O MCULE-3946560323 [0,0,1,1,0,0|1,0,1]=4 704 B10R1.31 NCC1=NC=C(S1)C(=O)O MCULE-7312147052 [0,0,1,1,0,0|1,0,1]=4 705 B10R1.31 NCC1=NNC(=C1)C(=O)O MCULE-2100935430 [0,0,1,1,0,0|1,0,1]=4 706 B10R1.31 NCC1=NNC(=C1)C(=O)O MCULE-5271280541 [0,0,1,1,0,0|1,0,1]=4 707 B10R1.31 O=CC1=CC(=CO1)C(=O)O MCULE-6941989821 [0,0,1,1,0,0|2,0,0]=4 708 B10R1.31 O=CC1=CC(=CS1)C(=O)O MCULE-9793010071 [0,0,1,1,0,0|2,0,0]=4 709 B10R1.31 O=CC1=CNC(=C1)C(=O)O MCULE-5432793271 [0,0,1,1,0,0|2,0,0]=4 710 B10R1.31 O=CC1=NC=C(S1)C(=O)O MCULE-8787788779 [0,0,1,1,0,0|2,0,0]=4 711 B10R1.59 CC1=CC(=C(S1)N)C(=O)O MCULE-8725784449 [0,0,1,1,0,0|1,0,1]=4 712 B10R1.59 CN1C=C(C(=N1)N)C(=O)O MCULE-1756259801 [0,0,1,1,0,0|1,0,1]=4 713 B10R1.59 CN1C=C(C=C1C(=O)O)Br MCULE-1425098304 [0,0,1,1,0,0|1,0,1]=4 714 B10R1.59 CN1C=C(C=C1C(=O)O)Cl MCULE-9548725777 [0,0,1,1,0,0|1,0,1]=4 715 B10R1.59 CN1C=C(C=C1C(=O)O)F MCULE-3803110701 [0,0,1,1,0,0|1,0,1]=4 716 B10R1.59 CN1C=C(C=C1C(=O)O)I MCULE-8002986888 [0,0,1,1,0,0|1,0,1]=4 717 B10R1.59 CN1C=C(C=C1C(=O)O)N MCULE-4773881341 [0,0,1,1,0,0|0,0,2]=4 718 B10R1.59 CN1C=C(C=C1C(=O)O)N MCULE-5404121363 [0,0,1,1,0,0|0,0,2]=4 719 B10R1.113 CC1=CC(=CC=C1)C(=O)O MCULE-8632144278 [0,0,1,1,0,0|2,0,0]=4 720 B10R1.113 CC1=CC(=CC=N1)C(=O)O MCULE-7190658769 [0,0,1,1,0,0|1,0,1]=4 721 B10R1.113 CC1=CC(=CN=C1)C(=O)O MCULE-4739873978 [0,0,1,1,0,0|1,0,1]=4 722 B10R1.113 CC1=NC=NC(=C1)C(=O)O MCULE-3959886425 [0,0,1,1,0,0|0,0,2]=4 723 B10R1.113 NC1=CC(=NC=N1)C(=O)O MCULE-5788733439 [0,0,1,1,0,0|1,0,1]=4 724 B10R1.113 NC1=CC(=NC=N1)C(=O)O MCULE-8448092758 [0,0,1,1,0,0|1,0,1]=4 725 B10R1.113 NC1=CC=CC(=C1)C(=O)O MCULE-8263489676 [0,0,1,1,0,0|1,0,1]=4 726 B10R1.113 NC1=NC=CC(=C1)C(=O)O MCULE-3692050475 [0,0,1,1,0,0|2,0,0]=4 727 B10R1.113 NC1=NC=CC(=C1)C(=O)O MCULE-4566777212 [0,0,1,1,0,0|2,0,0]=4 728 B10R1.113 O=C(O)C1=CC(=CC=C1)Br MCULE-8805391978 [0,0,1,1,0,0|2,0,0]=4 729 B10R1.113 O=C(O)C1=CC(=CC=C1)Cl MCULE-4475337074 [0,0,1,1,0,0|2,0,0]=4 730 B10R1.113 O=C(O)C1=CC(=CC=C1)F MCULE-6577870473 [0,0,1,1,0,0|2,0,0]=4 731 B10R1.113 O=C(O)C1=CC(=CC=C1)I MCULE-7599924260 [0,0,1,1,0,0|2,0,0]=4 732 B10R1.113 O=C(O)C1=CC(=CC=C1)O MCULE-3607182166 [0,0,1,1,0,0|2,0,0]=4 733 B10R1.113 O=C(O)C1=CC(=CC=C1)S MCULE-3153980516 [0,0,1,1,0,0|2,0,0]=4 734 B10R1.113 O=C(O)C1=CC(=CN=C1)Br MCULE-3401398565 [0,0,1,1,0,0|1,0,1]=4 735 B10R1.113 O=C(O)C1=CC(=CN=C1)Cl MCULE-5011407455 [0,0,1,1,0,0|1,0,1]=4 736 B10R1.113 O=C(O)C1=CC(=CN=C1)F MCULE-7456596815 [0,0,1,1,0,0|1,0,1]=4 737 B10R1.113 O=C(O)C1=CC(=CN=C1)I MCULE-1738768737 [0,0,1,1,0,0|1,0,1]=4 738 B10R1.113 O=C(O)C1=CC(=CN=C1)S MCULE-7221797925 [0,0,1,1,0,0|1,0,1]=4 739 B10R1.113 O=C(O)C1=CC(=CN=C1)S MCULE-9937294575 [0,0,1,1,0,0|1,0,1]=4 740 B10R1.113 O=C(O)C1=CC(=NC=C1)Br MCULE-3872320725 [0,0,1,1,0,0|2,0,0]=4 741 B10R1.113 O=C(O)C1=CC(=NC=C1)Cl MCULE-8384749674 [0,0,1,1,0,0|2,0,0]=4 742 B10R1.113 O=C(O)C1=CC(=NC=C1)F MCULE-8703830168 [0,0,1,1,0,0|2,0,0]=4 743 B10R1.113 O=C(O)C1=CC(=NC=C1)I MCULE-4043623395 [0,0,1,1,0,0|2,0,0]=4 744 B10R1.113 O=C(O)C1=CC(=NC=C1)S MCULE-4830574914 [0,0,1,1,0,0|2,0,0]=4 745 B10R1.113 O=C(O)C1=CC(=NC=N1)Cl MCULE-9180249208 [0,0,1,1,0,0|1,0,1]=4 746 B10R1.113 O=C(O)C1=CC(=NC=N1)O MCULE-6681794599 [0,0,1,1,0,0|1,0,1]=4 747 B10R1.113 O=C(O)C1=CN=CC(=C1)O MCULE-4896018532 [0,0,1,1,0,0|1,0,1]=4 748 B10R1.113 [NH3+]C1=CC=CC(=C1)C(=O)O MCULE-9535213423 [0,0,1,1,0,0|1,0,1]=4 749 B10R2.7 C1=CC2=C(C=C1)NC=C2 MCULE-9442796928 [1,0,0,1,0,0|2,0,0]=4 750 B10R2.7 C1=CC2=C(C=C1)NN=N2 MCULE-2848618742 [1,0,0,1,0,0|2,0,0]=4 751 B10R2.7 C1=CC2=C(C=C1)SC=N2 MCULE-5257468117 [1,0,0,1,0,0|2,0,0]=4 752 B10R2.7 C1=CC2=C(C=N1)N=CN2 MCULE-2287426170 [1,0,0,1,0,0|2,0,0]=4 753 B10R2.7 C1=CC2=C(N=C1)NN=N2 MCULE-6113680613 [1,0,0,1,0,0|2,0,0]=4 754 B10R2.7 C1=CC=C2NC=NC2=C1 MCULE-1574561780 [1,0,0,1,0,0|1,0,0]=3 755 B10R2.7 C1=CC=C2NC=NC2=C1 MCULE-8167283494 [1,0,0,1,0,0|1,0,0]=3 756 B10R2.7 C1=CC=C2OC=NC2=C1 MCULE-1964652284 [1,0,0,1,0,0|2,0,0]=4 757 B10R2.7 C1=CN=C2CC=NC2=C1 MCULE-8944687788 [1,0,0,1,0,0|2,0,0]=4 758 B10R2.7 C1=CN=C2N=CNC2=C1 MCULE-9328115668 [1,0,0,1,0,0|2,0,0]=4 759 B10R2.7 C1=CN=C2NC=CC2=C1 MCULE-6621126582 [1,0,0,1,0,0|2,0,0]=4 760 B10R2.7 C1=CN=C2NC=NC2=C1 MCULE-9307377345 [1,0,0,1,0,0|1,0,0]=3 761 B10R2.7 C1=CN=C2OC=NC2=C1 MCULE-4125836195 [1,0,0,1,0,0|2,0,0]=4 762 B10R2.7 C1=CN=C2SC=NC2=C1 MCULE-2418583243 [1,0,0,1,0,0|2,0,0]=4 763 B10R2.7 C1=CNC2=CC=NC2=C1 MCULE-4085393684 [1,0,0,1,0,0|2,0,0]=4 764 B10R2.7 C1=NC2=C(N=C1)NC=N2 MCULE-1264779409 [1,0,0,1,0,0|2,0,0]=4 765 B12R2.24 O=C1C=CC2=CC=CC=C2O1 MCULE-5433669098 [0,0,0,1,0,1|2,0,0]=4 766 B12R2.24 O=C1C=CC2=CN=CC=C2N1 MCULE-6769261294 [0,0,0,1,0,1|2,0,0]=4 767 B12R2.24 O=C1C=CC2=CNC=CC2=N1 MCULE-1218657874 [0,0,0,1,0,1|2,0,0]=4 768 B12R2.24 O=C1C=CC2=NC=CN=C2N1 MCULE-3938088930 [0,0,0,1,0,1|1,0,1]=4 769 B12R2.24 OC1=CC2=C(C=C1)C=NC=N2 MCULE-2489516305 [0,0,0,1,0,1|1,0,1]=4 770 B12R2.24 OC1=CC2=C(C=C1)N=CC=C2 MCULE-9974167216 [0,0,0,1,0,1|2,0,0]=4 771 B12R2.24 OC1=CC2=C(C=C1)N=CN=C2 MCULE-2657952976 [0,0,0,1,0,1|1,0,1]=4 772 B12R2.24 OC1=CC2=NC=CC=C2C=C1 MCULE-6286044096 [0,0,0,1,0,1|2,0,0]=4 773 B12R2.24 OC1=CC2=NC=CN=C2C=C1 MCULE-8410238450 [0,0,0,1,0,1|1,0,1]=4 774 B12R2.24 OC1=CC=C2C=NC=CC2=C1 MCULE-8274249120 [0,0,0,1,0,1|2,0,0]=4 775 B12R2.24 OC1=NC2=CC=CN=C2C=C1 MCULE-9129042085 [0,0,0,1,0,1|2,0,0]=4 776 B12R2.24 OC1=NC2=NC=CC=C2C=C1 MCULE-1894544384 [0,0,0,1,0,1|2,0,0]=4 777 B12R2.3190 O=C(O)C1=CC2=CC=CC=C12 MCULE-4865410555 [0,0,0,1,0,1|2,0,0]=4 778 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CNC=N2 MCULE-3430818972 [0,0,0,1,0,1|0,0,2]=4 779 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CNC=N2 MCULE-6157324496 [0,0,0,1,0,1|0,0,2]=4 780 B12R2.1362 O=C(O)C1=C2NC=CN2N=C1 MCULE-8660967262 [0,0,0,1,0,1|2,0,0]=4 781 B12R2.1362 O=C(O)C1=C2NC=CN2N=C1 MCULE-8983215300 [0,0,0,1,0,1|2,0,0]=4 782 B12R2.1362 O=C(O)C1=CSC2=C1SN=N2 MCULE-1421937987 [0,0,0,1,0,1|2,0,0]=4 783 B12R2.1362 O=C(O)C1=CSC2=CN=CN12 MCULE-1672336585 [0,0,0,1,0,1|0,0,2]=4 784 B12R2.1362 O=C(O)C1=CSC2=CN=CN12 MCULE-3296586750 [0,0,0,1,0,1|0,0,2]=4 785 B12R2.44 COC1=CC2=C(C=C1)N=CS2 MCULE-4348095260 [0,1,0,1,0,0|2,0,0]=4 786 B12R2.44 COC1=CC2=C(C=N1)N=CN2 MCULE-3111601366 [0,1,0,1,0,0|2,0,0]=4 787 B12R2.44 COC1=CC=C2C=CNC2=C1 MCULE-5915601798 [0,1,0,1,0,0|2,0,0]=4 788 B12R2.44 COC1=CC=C2C=CNC2=N1 MCULE-9822084691 [0,1,0,1,0,0|2,0,0]=4 789 B12R2.44 COC1=CC=C2N=CNC2=C1 MCULE-8117732950 [0,1,0,1,0,0|1,0,0]=3 790 B12R2.44 COC1=CC=C2N=COC2=C1 MCULE-1045172125 [0,1,0,1,0,0|2,0,0]=4 791 B12R2.44 COC1=CC=C2N=CSC2=N1 MCULE-1604719821 [0,1,0,1,0,0|2,0,0]=4 792 B12R2.44 COC1=CN=C2N=CNC2=C1 MCULE-6127979253 [0,1,0,1,0,0|2,0,0]=4 793 B12R2.44 O=CC1=CC=C2C=CNC2=C1 MCULE-6136301624 [0,1,0,1,0,0|2,0,0]=4 794 B12R2.44 O=CC1=CC=C2C=CNC2=N1 MCULE-3154235128 [0,1,0,1,0,0|2,0,0]=4 795 B12R2.44 O=CC1=CC=C2N=COC2=C1 MCULE-2516971257 [0,1,0,1,0,0|2,0,0]=4 796 B12R2.44 O=CC1=CC=C2N=CSC2=C1 MCULE-1050766738 [0,1,0,1,0,0|2,0,0]=4 797 B12R2.44 OCC1=CC2=C(C=C1)N=CS2 MCULE-5349833192 [0,1,0,1,0,0|2,0,0]=4 798 B12R2.44 OCC1=CC2=C(C=CN2)C=C1 MCULE-1137598321 [0,1,0,1,0,0|2,0,0]=4 799 B12R2.44 OCC1=CC=C2N=CNC2=N1 MCULE-2880499791 [0,1,0,1,0,0|1,0,0]=3 800 B12R2.44 OCC1=CC=C2N=COC2=C1 MCULE-8191027510 [0,1,0,1,0,0|2,0,0]=4 801 B12R2.44 OCC1=NC2=C(C=CN2)C=C1 MCULE-5912705792 [0,1,0,1,0,0|2,0,0]=4 802 B12R2.82 CC1=C(C=CC2=C1NC=C2)O MCULE-8772651753 [0,1,0,1,0,0|2,0,0]=4 803 B12R2.82 NC1=C2NC=NC2=CC=C1Br MCULE-6495138377 [0,1,0,1,0,0|2,0,0]=4 804 B12R2.82 NC1=C2NSN=C2C=CC1=O MCULE-3471095208 [0,1,0,1,0,0|2,0,0]=4 805 B12R2.82 OC1=C2NC=CC2=CC=C1Br MCULE-1564024162 [0,1,0,1,0,0|2,0,0]=4 806 B12R2.100 BrC1=C(C=C2NC=NC2=C1)Br MCULE-3917758773 [0,1,0,1,0,0|2,0,0]=4 807 B12R2.100 BrC1=CC2=C(C=C1Br)NC=N2 MCULE-4773403971 [0,1,0,1,0,0|2,0,0]=4 808 B12R2.100 CC1=C(C=C2N=CNC2=C1)Br MCULE-4333482345 [0,1,0,1,0,0|2,0,0]=4 809 B12R2.100 CC1=C(C=C2N=CNC2=N1)N MCULE-1044506454 [0,1,0,1,0,0|2,0,0]=4 810 B12R2.100 CC1=C(C=C2NC=CC2=C1)O MCULE-2330488633 [0,1,0,1,0,0|2,0,0]=4 811 B12R2.100 CC1=C(C=C2NC=NC2=C1)C MCULE-3421723513 [0,1,0,1,0,0|2,0,0]=4 812 B12R2.100 CC1=C(C=C2NC=NC2=C1)N MCULE-9910894683 [0,1,0,1,0,0|2,0,0]=4 813 B12R2.100 CC1=CC2=C(C=C1Cl)N=CN2 MCULE-5947018759 [0,1,0,1,0,0|2,0,0]=4 814 B12R2.100 ClC1=C(C=C2N=CNC2=C1)Br MCULE-7160658963 [0,1,0,1,0,0|2,0,0]=4 815 B12R2.100 ClC1=C(C=C2NC=NC2=C1)Cl MCULE-5834866049 [0,1,0,1,0,0|2,0,0]=4 816 B12R2.100 ClC1=CC2=C(C=C1Cl)NC=N2 MCULE-3824190231 [0,1,0,1,0,0|2,0,0]=4 817 B12R2.100 ClC1=CC2=C(N=C1Cl)NC=N2 MCULE-6192971749 [0,1,0,1,0,0|2,0,0]=4 818 B12R2.100 FC1=C(C=C2NC=NC2=C1)F MCULE-2447712252 [0,1,0,1,0,0|2,0,0]=4 819 B12R2.100 FC1=CC2=C(C=C1Br)N=CN2 MCULE-1553144455 [0,1,0,1,0,0|2,0,0]=4 820 B12R2.100 FC1=CC2=C(C=C1Cl)NC=N2 MCULE-9749225198 [0,1,0,1,0,0|2,0,0]=4 821 B12R2.100 NC1=C(C=C2NC=NC2=C1)Br MCULE-4779022981 [0,1,0,1,0,0|2,0,0]=4 822 B12R2.100 NC1=C(C=C2NC=NC2=C1)N MCULE-3953599591 [0,1,0,1,0,0|2,0,0]=4 823 B12R2.100 NC1=C(C=C2NC=NC2=C1)N MCULE-6649484577 [0,1,0,1,0,0|2,0,0]=4 824 B12R2.100 NC1=C(N=C2NC=CC2=C1)O MCULE-8402056760 [0,1,0,1,0,0|2,0,0]=4 825 B12R2.100 NC1=CC2=C(C=C1Cl)NC=N2 MCULE-4487617720 [0,1,0,1,0,0|2,0,0]=4 826 B12R2.100 NC1=CC2=C(N=C1O)NC=C2 MCULE-2957875587 [0,1,0,1,0,0|2,0,0]=4 827 B12R2.100 NC1=NC2=C(N=C1O)NC=N2 MCULE-4977017098 [0,1,0,1,0,0|2,0,0]=4 828 B12R2.100 OC1=C(C=C2C=CNC2=N1)Cl MCULE-1652299847 [0,1,0,1,0,0|2,0,0]=4 829 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 MCULE-9288869200 [0,1,0,1,0,0|2,0,0]=4 830 B12R2.100 OC1=CC2=C(C=C1O)NC=N2 MCULE-8388695134 [0,1,0,1,0,0|1,0,0]=3 831 B12R2.100 OC1=NC2=C(C=CN2)C=C1Br MCULE-7788413260 [0,1,0,1,0,0|2,0,0]=4 832 B12R2.100 OC1=NC2=C(C=CN2)C=C1F MCULE-2354216963 [0,1,0,1,0,0|2,0,0]=4 833 B12R2.252 O=C(O)C1=CC2=C(N1)C=CO2 MCULE-4890412119 [0,1,0,1,0,0|2,0,0]=4 834 B12R2.252 O=C(O)C1=CC2=C(N1)C=CS2 MCULE-2564302171 [0,1,0,1,0,0|2,0,0]=4 835 B12R2.252 O=C(O)C1=CC2=C(N1)N=CS2 MCULE-2978831614 [0,1,0,1,0,0|1,0,1]=4 836 B12R2.252 O=C(O)C1=CC2=C(N1)SC=C2 MCULE-1244115319 [0,1,0,1,0,0|2,0,0]=4 837 B12R2.252 O=C(O)C1=CC2=C(N1)SC=N2 MCULE-2551451080 [0,1,0,1,0,0|1,0,0]=3 838 B12R2.252 O=C(O)C1=CC2=C(O1)C=CN2 MCULE-8303697888 [0,1,0,1,0,0|1,0,1]=4 839 B12R2.252 O=C(O)C1=CC2=C(S1)C=CN2 MCULE-4645433743 [0,1,0,1,0,0|1,0,1]=4 840 B12R2.252 O=C(O)C1=CC2=C(S1)C=CO2 MCULE-5896832706 [0,1,0,1,0,0|2,0,0]=4 841 B12R2.252 O=C(O)C1=CC2=C(S1)C=CS2 MCULE-9074494739 [0,1,0,1,0,0|2,0,0]=4 842 B12R2.252 O=C(O)C1=CC2=C(S1)NN=C2 MCULE-6737350169 [0,1,0,1,0,0|2,0,0]=4 843 B12R2.252 O=C(O)C1=CC2=C(S1)OC=C2 MCULE-4704847988 [0,1,0,1,0,0|2,0,0]=4 844 B12R2.252 O=C(O)C1=CC2=C(S1)SC=C2 MCULE-6523251244 [0,1,0,1,0,0|2,0,0]=4 845 B12R2.252 O=C(O)C1=CC2=C([Se]1)C=CS2 MCULE-1870487907 [0,1,0,1,0,0|2,0,0]=4 846 B12R2.252 O=C(O)C1=CC2=CSC=C2S1 MCULE-5338439724 [0,1,0,1,0,0|2,0,0]=4 847 B12R2.132 CC1=CC=C2N=CN(C2=C1)C MCULE-1869912388 [0,1,0,1,0,0|2,0,0]=4 848 B12R2.132 CN1C=CC2=C1C=C(C=C2)O MCULE-7882060063 [0,1,0,1,0,0|2,0,0]=4 849 B12R2.132 CN1C=NC2=C1C=C(C=C2)Br MCULE-3862316603 [0,1,0,1,0,0|2,0,0]=4 850 B12R2.132 CN1C=NC2=C1C=C(C=C2)N MCULE-4926293442 [0,1,0,1,0,0|2,0,0]=4 851 B12R2.132 CN1C=NC2=C1C=C(C=C2)O MCULE-1381605110 [0,1,0,1,0,0|1,0,0]=3 852 B12R2.132 CN1C=NC2=C1N=C(C=C2)Cl MCULE-2169913553 [0,1,0,1,0,0|2,0,0]=4 853 B12R2.132 CN1C=NC2=CC=C(C=C12)F MCULE-7495084468 [0,1,0,1,0,0|2,0,0]=4 854 B12R2.132 CN1C=NC2=CC=C(C=C12)N MCULE-7344168051 [0,1,0,1,0,0|2,0,0]=4 855 B12R2.606 CC1=CC2=C(C=C1)N=C(N2)C MCULE-1625426732 [0,1,0,1,0,0|2,0,0]=4 856 B12R2.606 CC1=CC2=C(N1)C=C(C=C2)O MCULE-2182534354 [0,1,0,1,0,0|2,0,0]=4 857 B12R2.606 CC1=CC2=CC=C(N=C2N1)O MCULE-5638406970 [0,1,0,1,0,0|2,0,0]=4 858 B12R2.606 CC1=CC=C2N=C(NC2=C1)Br MCULE-5753532607 [0,1,0,1,0,0|2,0,0]=4 859 B12R2.606 CC1=CC=C2N=C(NC2=N1)C MCULE-6867936759 [0,1,0,1,0,0|2,0,0]=4 860 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)Br MCULE-2378447367 [0,1,0,1,0,0|2,0,0]=4 861 B12R2.606 CC1=NC2=C(S1)C=C(C=C2)O MCULE-3214574436 [0,1,0,1,0,0|2,0,0]=4 862 B12R2.606 CC1=NC2=CC=C(C=C2O1)O MCULE-4760542374 [0,1,0,1,0,0|2,0,0]=4 863 B12R2.606 CC1=NC2=CC=C(N=C2N1)Br MCULE-4310864520 [0,1,0,1,0,0|2,0,0]=4 864 B12R2.606 CC1=NC2=CC=C(N=C2N1)Cl MCULE-3804927743 [0,1,0,1,0,0|2,0,0]=4 865 B12R2.606 ClC1=CC=C2N=C(NC2=C1)Br MCULE-9185491367 [0,1,0,1,0,0|2,0,0]=4 866 B12R2.606 ClC1=CC=C2N=C(NC2=N1)Br MCULE-1909429044 [0,1,0,1,0,0|2,0,0]=4 867 B12R2.606 FC1=CC2=C(C=C1)N=C(N2)Cl MCULE-6534983555 [0,1,0,1,0,0|2,0,0]=4 868 B12R2.606 FC1=CC2=C(C=C1)N=C(N2)S MCULE-9993748809 [0,1,0,1,0,0|2,0,0]=4 869 B12R2.606 FC1=CC=C2N=C(NC2=C1)Cl MCULE-4347720449 [0,1,0,1,0,0|2,0,0]=4 870 B12R2.606 NC1=CC=C2N=C(NC2=C1)Br MCULE-6852813834 [0,1,0,1,0,0|2,0,0]=4 871 B12R2.606 NC1=CC=C2N=C(NC2=C1)Br MCULE-9972074986 [0,1,0,1,0,0|2,0,0]=4 872 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)O MCULE-3352318972 [0,1,0,1,0,0|2,0,0]=4 873 B12R2.606 NC1=NC2=C(S1)NC(=O)C=C2 MCULE-5504135778 [0,1,0,1,0,0|2,0,0]=4 874 B12R2.606 NC1=NC2=CC=C(C=C2N1)Cl MCULE-3601751123 [0,1,0,1,0,0|2,0,0]=4 875 B12R2.606 NC1=NC2=CC=C(C=C2O1)O MCULE-1093156991 [0,1,0,1,0,0|2,0,0]=4 876 B12R2.606 NC1=NC2=CC=C(C=C2S1)O MCULE-4058304032 [0,1,0,1,0,0|2,0,0]=4 877 B12R2.606 NC1=NC2=CC=C(C=C2S1)O MCULE-7297873505 [0,1,0,1,0,0|2,0,0]=4 878 B12R2.606 O=C1CC2=C(N1)C=C(C=C2)O MCULE-4456071084 [0,1,0,1,0,0|2,0,0]=4 879 B12R2.606 O=C1NC2=C(O1)C=CC(=C2)O MCULE-3285496745 [0,1,0,1,0,0|2,0,0]=4 880 B12R2.606 O=C1NC2=CC=C(C=C2N1)O MCULE-5144850587 [0,1,0,1,0,0|1,0,1]=4 881 B12R2.606 OC1=CC=C2N=C(SC2=C1)Br MCULE-6317353548 [0,1,0,1,0,0|2,0,0]=4 882 B12R2.606 OC1=CC=C2N=C(SC2=C1)Cl MCULE-4376597550 [0,1,0,1,0,0|2,0,0]=4 883 B12R2.606 OC1=CC=C2N=C(SC2=C1)F MCULE-2034887970 [0,1,0,1,0,0|2,0,0]=4 884 B12R2.606 OC1=CC=C2N=C(SC2=C1)I MCULE-9536476389 [0,1,0,1,0,0|2,0,0]=4 885 B12R2.606 OC1=CC=C2N=C(SC2=C1)S MCULE-7107036140 [0,1,0,1,0,0|2,0,0]=4 886 B12R2.606 OC1=NC2=CC=C(C=C2N1)F MCULE-1176847059 [0,1,0,1,0,0|2,0,0]=4 887 B12R2.606 SC1=NC2=CC=C(N=C2N1)Cl MCULE-4812316877 [0,1,0,1,0,0|2,0,0]=4 888 B12R2.246 BrC1=CC2=C(N=CN2)C(=C1)Br MCULE-3616295822 [0,1,0,1,0,0|2,0,0]=4 889 B12R2.246 BrC1=CC2=C(N=CN2)C(=C1)I MCULE-5676509427 [0,1,0,1,0,0|2,0,0]=4 890 B12R2.246 CC1=C2N=CNC2=CC(=C1)Br MCULE-1878827923 [0,1,0,1,0,0|2,0,0]=4 891 B12R2.246 CC1=C2N=CNC2=CC(=C1)O MCULE-5846544423 [0,1,0,1,0,0|1,0,0]=3 892 B12R2.246 CC1=C2N=CNC2=NC(=C1)Cl MCULE-7940917785 [0,1,0,1,0,0|2,0,0]=4 893 B12R2.246 CC1=C2N=CSC2=CC(=C1)O MCULE-9639341425 [0,1,0,1,0,0|2,0,0]=4 894 B12R2.246 CC1=CC(=C2N=CNC2=C1)C MCULE-1319502012 [0,1,0,1,0,0|2,0,0]=4 895 B12R2.246 CC1=CC(=C2N=CNC2=N1)C MCULE-4506638163 [0,1,0,1,0,0|2,0,0]=4 896 B12R2.246 CC1=CC(=C2N=CNC2=N1)N MCULE-2892774362 [0,1,0,1,0,0|2,0,0]=4 897 B12R2.246 CC1=CC(=CC2=C1C=CN2)O MCULE-6626516479 [0,1,0,1,0,0|2,0,0]=4 898 B12R2.246 CC1=CC(=CC2=C1N=CN2)Cl MCULE-2623835588 [0,1,0,1,0,0|2,0,0]=4 899 B12R2.246 ClC1=C2N=CNC2=CC(=C1)Br MCULE-4985271402 [0,1,0,1,0,0|2,0,0]=4 900 B12R2.246 ClC1=CC2=C(N=CN2)C(=C1)Br MCULE-2953393858 [0,1,0,1,0,0|2,0,0]=4 901 B12R2.246 ClC1=CC2=C(N=CN2)C(=C1)Cl MCULE-8350160287 [0,1,0,1,0,0|2,0,0]=4 902 B12R2.246 FC1=C2N=CNC2=CC(=C1)Br MCULE-3556057987 [0,1,0,1,0,0|2,0,0]=4 903 B12R2.246 FC1=C2N=CNC2=CC(=C1)Cl MCULE-8679056796 [0,1,0,1,0,0|2,0,0]=4 904 B12R2.246 FC1=CC(=C2N=CNC2=C1)F MCULE-4127681994 [0,1,0,1,0,0|2,0,0]=4 905 B12R2.246 FC1=CC(=C2N=CNC2=C1)I MCULE-7198041525 [0,1,0,1,0,0|2,0,0]=4 906 B12R2.246 FC1=CC2=C(N=CN2)C(=C1)Br MCULE-5853354121 [0,1,0,1,0,0|2,0,0]=4 907 B12R2.246 FC1=CC2=C(N=CN2)C(=C1)Cl MCULE-2740998817 [0,1,0,1,0,0|2,0,0]=4 908 B12R2.246 NC1=C2C=CNC2=CC(=C1)O MCULE-2630969759 [0,1,0,1,0,0|2,0,0]=4 909 B12R2.246 NC1=C2C=CNC2=CC(=C1)O MCULE-9669283904 [0,1,0,1,0,0|2,0,0]=4 910 B12R2.246 NC1=C2N=CNC2=CC(=C1)Cl MCULE-1181223494 [0,1,0,1,0,0|2,0,0]=4 911 B12R2.246 NC1=C2N=CNC2=NC(=N1)O MCULE-7325739729 [0,1,0,1,0,0|2,0,0]=4 912 B12R2.246 NC1=CC(=CC2=C1N=CN2)Br MCULE-6947344161 [0,1,0,1,0,0|2,0,0]=4 913 B12R2.246 NC1=NC(=NC2=C1N=CN2)O MCULE-6815194566 [0,1,0,1,0,0|2,0,0]=4 914 B12R2.246 O=C1NC(=O)C2=C(N1)NC=N2 MCULE-6687728468 [0,1,0,1,0,0|2,0,0]=4 915 B12R2.246 OC1=CC(=C2C=CNC2=N1)Cl MCULE-6017293700 [0,1,0,1,0,0|2,0,0]=4 916 B12R2.246 OC1=CC(=C2C=CNC2=N1)F MCULE-8090437355 [0,1,0,1,0,0|2,0,0]=4 917 B12R2.246 OC1=CC(=C2C=CNC2=N1)I MCULE-4731329103 [0,1,0,1,0,0|2,0,0]=4 918 B12R2.246 OC1=CC(=C2C=CNC2=N1)O MCULE-5878170413 [0,1,0,1,0,0|2,0,0]=4 919 B12R2.246 OC1=CC2=C(C=CN2)C(=C1)Br MCULE-4498931895 [0,1,0,1,0,0|2,0,0]=4 920 B12R2.246 OC1=CC2=C(C=CN2)C(=C1)Cl MCULE-7229140748 [0,1,0,1,0,0|2,0,0]=4 921 B12R2.246 OC1=CC2=C(C=CN2)C(=C1)I MCULE-1527412933 [0,1,0,1,0,0|2,0,0]=4 922 B12R2.246 OC1=NC2=C(C=CN2)C(=C1)Br MCULE-9025466980 [0,1,0,1,0,0|2,0,0]=4 923 B12R2.612 CC1=CNC2=CC(=CC=C12)O MCULE-6871286896 [0,1,0,1,0,0|2,0,0]=4 924 B12R2.612 OC1=CC=C2C(=CNC2=N1)Br MCULE-4964160557 [0,1,0,1,0,0|2,0,0]=4 925 B12R2.612 OC1=CC=C2C(=CNC2=N1)I MCULE-5259327592 [0,1,0,1,0,0|2,0,0]=4 926 B8R1.7 C1=NC(=CS1)C(=O)O MCULE-4723437766 [0,0,0,0,2,0|1,0,0]=3 927 B8R1.7 CC(=O)C1=CNC=C1 MCULE-6298298881 [0,0,0,0,2,0|2,0,0]=4 928 B8R1.7 CC(=O)C1=CNC=N1 MCULE-1707621771 [0,0,0,0,2,0|1,0,0]=3 929 B8R1.7 CC(=O)C1=CNC=N1 MCULE-5046690186 [0,0,0,0,2,0|1,0,0]=3 930 B8R1.7 CC(=O)C1=CNN=N1 MCULE-8186228258 [0,0,0,0,2,0|2,0,0]=4 931 B8R1.7 CC(=O)C1=CNN=N1 MCULE-8747452765 [0,0,0,0,2,0|2,0,0]=4 932 B8R1.7 CC(=O)C1=COC=N1 MCULE-4496552775 [0,0,0,0,2,0|2,0,0]=4 933 B8R1.7 CC(=O)C1=CSC=N1 MCULE-4510751071 [0,0,0,0,2,0|2,0,0]=4 934 B8R1.7 CC(O)C1=CNC=N1 MCULE-3453073104 [0,0,0,0,2,0|1,0,1]=4 935 B8R1.7 CC(O)C1=CNC=N1 MCULE-5369561415 [0,0,0,0,2,0|1,0,1]=4 936 B8R1.7 N=C(N)C1=CNC=N1 MCULE-4040269539 [0,0,0,0,2,0|2,0,0]=4 937 B8R1.7 NC(=O)C1=CNC=C1 MCULE-1008967076 [0,0,0,0,2,0|2,0,0]=4 938 B8R1.7 NC(=O)C1=CNC=N1 MCULE-2995118983 [0,0,0,0,2,0|1,0,0]=3 939 B8R1.7 NC(=O)C1=CNN=N1 MCULE-8149645546 [0,0,0,0,2,0|2,0,0]=4 940 B8R1.7 NC(=O)C1=COC=N1 MCULE-7901825950 [0,0,0,0,2,0|2,0,0]=4 941 B8R1.7 NC(=O)C1=CSC=N1 MCULE-4774917632 [0,0,0,0,2,0|2,0,0]=4 942 B8R1.7 NC(=O)C1=NNC=N1 MCULE-3846375272 [0,0,0,0,2,0|2,0,0]=4 943 B8R1.7 NC(=S)C1=CNC=N1 MCULE-1995021323 [0,0,0,0,2,0|1,1,0]=4 944 B8R1.7 O=C(Cl)C1=COC=N1 MCULE-1264086684 [0,0,0,0,2,0|2,0,0]=4 945 B8R1.7 O=C(Cl)C1=CSC=N1 MCULE-1982441527 [0,0,0,0,2,0|2,0,0]=4 946 B8R1.7 O=C(O)C1=CC=CN1 MCULE-4915329170 [0,0,0,0,2,0|1,0,1]=4 947 B8R1.7 O=C(O)C1=CC=CO1 MCULE-5132845727 [0,0,0,0,2,0|2,0,0]=4 948 B8R1.7 O=C(O)C1=CC=CS1 MCULE-4461858345 [0,0,0,0,2,0|2,0,0]=4 949 B8R1.7 O=C(O)C1=CC=C[Se]1 MCULE-9543908979 [0,0,0,0,2,0|2,0,0]=4 950 B8R1.7 O=C(O)C1=CN=CO1 MCULE-9125638838 [0,0,0,0,2,0|1,0,1]=4 951 B8R1.7 O=C(O)C1=CN=CS1 MCULE-2664666751 [0,0,0,0,2,0|1,0,1]=4 952 B8R1.7 O=C(O)C1=CNC=C1 MCULE-2877375791 [0,0,0,0,2,0|1,0,0]=3 953 B8R1.7 O=C(O)C1=CNC=N1 MCULE-2208605512 [0,0,0,0,2,0|0,0,0]=2 954 B8R1.7 O=C(O)C1=CNN=C1 MCULE-8448917990 [0,0,0,0,2,0|2,0,0]=4 955 B8R1.7 O=C(O)C1=COC=C1 MCULE-9346491380 [0,0,0,0,2,0|2,0,0]=4 956 B8R1.7 O=C(O)C1=COC=N1 MCULE-6388820863 [0,0,0,0,2,0|1,0,0]=3 957 B8R1.7 O=C(O)C1=COC=N1 MCULE-8404142877 [0,0,0,0,2,0|1,0,0]=3 958 B8R1.7 O=C(O)C1=CSC=C1 MCULE-7934636767 [0,0,0,0,2,0|2,0,0]=4 959 B8R1.7 O=C(O)C1=CSC=N1 MCULE-6783174927 [0,0,0,0,2,0|1,0,0]=3 960 B8R1.7 O=C(O)C1=CSC=N1 MCULE-8933604600 [0,0,0,0,2,0|1,0,0]=3 961 B8R1.7 O=C(O)C1=CSN=N1 MCULE-1656119426 [0,0,0,0,2,0|2,0,0]=4 962 B8R1.7 O=C(O)C1=NC=CN1 MCULE-2287559596 [0,0,0,0,2,0|2,0,0]=4 963 B8R1.7 O=C(O)C1=NC=CO1 MCULE-3527449990 [0,0,0,0,2,0|2,0,0]=4 964 B8R1.7 O=C(O)C1=NC=CS1 MCULE-2777928670 [0,0,0,0,2,0|2,0,0]=4 965 B8R1.7 O=C(O)C1=NC=NS1 MCULE-8670562232 [0,0,0,0,2,0|1,0,1]=4 966 B8R1.7 O=C(O)C1=NNC=C1 MCULE-5843831241 [0,0,0,0,2,0|2,0,0]=4 967 B8R1.7 O=C(O)C1=NNC=N1 MCULE-4465582152 [0,0,0,0,2,0|1,0,0]=3 968 B8R1.7 O=C(O)C1=NOC=C1 MCULE-3455230166 [0,0,0,0,2,0|2,0,0]=4 969 B8R1.7 O=C(O)C1=NOC=N1 MCULE-6368000131 [0,0,0,0,2,0|2,0,0]=4 970 B8R1.7 O=C(O)C1=NON=C1 MCULE-3271564015 [0,0,0,0,2,0|1,0,1]=4 971 B8R1.7 O=C(O)C1=NSC=C1 MCULE-1466108511 [0,0,0,0,2,0|2,0,0]=4 972 B8R1.7 O=C(O)C1=NSN=C1 MCULE-1904082193 [0,0,0,0,2,0|1,0,1]=4 973 B8R1.7 O=C([O-])C1=CSC=N1 MCULE-3576531022 [0,0,0,0,2,0|1,0,1]=4 974 B8R1.7 O=N(=O)C1=CNC=N1 MCULE-1767260490 [0,0,0,0,2,0|1,0,1]=4 975 B8R1.7 OB(O)C1=CNC=N1 MCULE-5901874336 [0,0,0,0,2,0|1,0,1]=4 976 B10R1.17 O=C/C=C/C1=CC=CC=C1 MCULE-5082013471 [1,0,0,0,0,1|2,0,0]=4 977 B10R1.17 O=CC=CC1=CC=CC=C1 MCULE-9193590445 [1,0,0,0,0,1|2,0,0]=4 978 B10R1.17 O=CC=CC1=CC=NC=C1 MCULE-1183611355 [1,0,0,0,0,1|1,0,1]=4 979 B10R1.17 O=CC=CC1=CC=NC=C1 MCULE-7484037361 [1,0,0,0,0,1|1,0,1]=4 980 B10R1.17 O=CC=CC1=NC=CC=C1 MCULE-3993450342 [1,0,0,0,0,1|1,0,0]=3 981 B10R1.17 OC/C=C/C1=CC=CN=C1 MCULE-1757917183 [1,0,0,0,0,1|1,0,1]=4 982 B10R1.17 OCC=CC1=CC=CN=C1 MCULE-1995500795 [1,0,0,0,0,1|1,0,1]=4 983 B10R1.17 OCC=CC1=NC=CC=C1 MCULE-9717879604 [1,0,0,0,0,1|1,0,1]=4 984 B12R1.252 O=C(O)C/C=C/C1=CC=CC=C1 MCULE-5944027373 [0,0,0,0,0,2|2,0,0]=4 985 B12R1.252 O=C(O)C=CCC1=CC=CC=C1 MCULE-5534408884 [0,0,0,0,0,2|2,0,0]=4 986 B12R1.252 O=C(O)C=CSC1=CC=CC=C1 MCULE-6409148074 [0,0,0,0,0,2|2,0,0]=4 987 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 MCULE-4504838602 [0,0,0,0,0,2|2,0,0]=4 988 B12R1.255 O=C(O)/C=C/C=C/C1=CC=CO1 MCULE-5819744840 [0,0,0,0,0,2|2,0,0]=4 989 B12R1.255 O=C(O)C=CC=CC1=CC=CO1 MCULE-1193873530 [0,0,0,0,0,2|2,0,0]=4 990 B12R1.255 O=C(O)C=CSCC1=CC=CO1 MCULE-4132561770 [0,0,0,0,0,2|2,0,0]=4