0 B9R1.34 CC1=CC(=CC(=C1)Br)Br MCULE-9444235862 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.34 CC1=CC(=CC(=C1)Br)C MCULE-9835925069 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.34 CC1=CC(=CC(=C1)Br)Cl MCULE-6159138239 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.34 CC1=CC(=CC(=C1)C)C MCULE-4050779572 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.34 CC1=CC(=CC(=C1)C)C MCULE-5865229116 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.34 CC1=CC(=CC(=C1)Cl)C MCULE-2535970104 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.34 CC1=CC(=CC(=C1)Cl)Cl MCULE-6215624042 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.34 CC1=CC(=CC(=C1)Cl)I MCULE-3915309338 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.34 CC1=CC(=CC(=C1)Cl)O MCULE-2473627422 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.34 CC1=CC(=CC(=C1)Cl)S MCULE-2227128472 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.34 CC1=CC(=CC(=C1)F)Br MCULE-7797005533 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.34 CC1=CC(=CC(=C1)F)C MCULE-2477390575 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.34 CC1=CC(=CC(=C1)F)Cl MCULE-8135595317 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.34 CC1=CC(=CC(=C1)F)F MCULE-1870042597 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.34 CC1=CC(=CC(=C1)F)I MCULE-6538775221 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.34 CC1=CC(=CC(=C1)I)Br MCULE-6152398273 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.34 CC1=CC(=CC(=C1)I)C MCULE-9725848373 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.34 CC1=CC(=CC(=C1)I)I MCULE-7682751786 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.34 CC1=CC(=CC(=C1)N)Br MCULE-3151186908 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.34 CC1=CC(=CC(=C1)N)Br MCULE-8778416250 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.34 CC1=CC(=CC(=C1)N)C MCULE-4075316196 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.34 CC1=CC(=CC(=C1)N)Cl MCULE-1030984804 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.34 CC1=CC(=CC(=C1)N)F MCULE-3807913137 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.34 CC1=CC(=CC(=C1)N)I MCULE-6505885819 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.34 CC1=CC(=CC(=C1)N)N MCULE-4803950855 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.34 CC1=CC(=CC(=C1)N)N MCULE-8205916308 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.34 CC1=CC(=CC(=C1)N)O MCULE-7937942950 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.34 CC1=CC(=CC(=C1)O)Br MCULE-3445136217 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.34 CC1=CC(=CC(=C1)O)C MCULE-3110935696 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.34 CC1=CC(=CC(=C1)O)F MCULE-3501763497 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.34 CC1=CC(=CC(=C1)O)O MCULE-5278471842 [0,0,0,0,0,0|2,1,1]=4 31 B9R1.34 CC1=CC(=CC(=C1)S)Br MCULE-1045529379 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.34 CC1=CC(=CC(=C1)S)C MCULE-2250389877 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.34 CC1=CC(=CC(=C1)S)F MCULE-9022192483 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.34 CC1=CC(=CC(=N1)Br)Br MCULE-9195052626 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.34 CC1=CC(=CC(=N1)Br)F MCULE-7514577533 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.34 CC1=CC(=CC(=N1)Br)N MCULE-3416147198 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.34 CC1=CC(=CC(=N1)C)Br MCULE-1626846200 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.34 CC1=CC(=CC(=N1)C)Cl MCULE-6387967000 [0,0,0,0,0,0|3,0,1]=4 39 B9R1.34 CC1=CC(=CC(=N1)C)F MCULE-8580072985 [0,0,0,0,0,0|3,0,1]=4 40 B9R1.34 CC1=CC(=CC(=N1)C)I MCULE-4178736431 [0,0,0,0,0,0|3,0,1]=4 41 B9R1.34 CC1=CC(=CC(=N1)C)N MCULE-7436080380 [0,0,0,0,0,0|3,0,1]=4 42 B9R1.34 CC1=CC(=CC(=N1)Cl)Br MCULE-3301958645 [0,0,0,0,0,0|3,0,1]=4 43 B9R1.34 CC1=CC(=CC(=N1)Cl)F MCULE-7058263768 [0,0,0,0,0,0|3,0,1]=4 44 B9R1.34 CC1=CC(=CC(=N1)Cl)I MCULE-5338278326 [0,0,0,0,0,0|3,0,1]=4 45 B9R1.34 CC1=CC(=CC(=N1)Cl)N MCULE-1202899826 [0,0,0,0,0,0|3,0,1]=4 46 B9R1.34 CC1=CC(=CC(=N1)Cl)O MCULE-1354720743 [0,0,0,0,0,0|2,0,2]=4 47 B9R1.34 CC1=CC(=CC(=N1)F)Br MCULE-3415751179 [0,0,0,0,0,0|3,0,1]=4 48 B9R1.34 CC1=CC(=CC(=N1)F)Cl MCULE-9440449399 [0,0,0,0,0,0|3,0,1]=4 49 B9R1.34 CC1=CC(=CC(=N1)F)F MCULE-6330822655 [0,0,0,0,0,0|3,0,1]=4 50 B9R1.34 CC1=CC(=CC(=N1)F)I MCULE-8859969421 [0,0,0,0,0,0|3,0,1]=4 51 B9R1.34 CC1=CC(=CC(=N1)F)N MCULE-5132828541 [0,0,0,0,0,0|3,0,1]=4 52 B9R1.34 CC1=CC(=CC(=N1)F)O MCULE-5773917860 [0,0,0,0,0,0|2,0,2]=4 53 B9R1.34 CC1=CC(=CC(=N1)N)Br MCULE-6850624966 [0,0,0,0,0,0|3,0,1]=4 54 B9R1.34 CC1=CC(=CC(=N1)N)Cl MCULE-3221127974 [0,0,0,0,0,0|3,0,1]=4 55 B9R1.34 CC1=CC(=CC(=N1)N)N MCULE-4299331467 [0,0,0,0,0,0|3,0,1]=4 56 B9R1.34 CC1=CC(=CC(=N1)N)N MCULE-4617289012 [0,0,0,0,0,0|3,0,1]=4 57 B9R1.34 CC1=CC(=CC(=N1)N)O MCULE-6205250784 [0,0,0,0,0,0|2,0,2]=4 58 B9R1.34 CC1=CC(=CC(=N1)O)F MCULE-6036180163 [0,0,0,0,0,0|2,1,1]=4 59 B9R1.34 CC1=CC(=CC(=N1)O)N MCULE-4155917559 [0,0,0,0,0,0|2,1,1]=4 60 B9R1.34 CC1=CC(=CC(=N1)O)N MCULE-6099100789 [0,0,0,0,0,0|2,1,1]=4 61 B9R1.34 CC1=CC(=CC(=O)N1)Br MCULE-8208292456 [0,0,0,0,0,0|2,1,0]=3 62 B9R1.34 CC1=CC(=CC(=O)N1)Cl MCULE-9615445068 [0,0,0,0,0,0|2,1,0]=3 63 B9R1.34 CC1=CC(=CC(=O)N1)O MCULE-9810636783 [0,0,0,0,0,0|1,1,1]=3 64 B9R1.34 CC1=CC(=CC(=O)O1)Br MCULE-2988778440 [0,0,0,0,0,0|3,1,0]=4 65 B9R1.34 CC1=CC(=CC(=O)O1)Cl MCULE-3416788222 [0,0,0,0,0,0|3,1,0]=4 66 B9R1.34 CC1=CC(=CC(=O)O1)N MCULE-7615332536 [0,0,0,0,0,0|3,1,0]=4 67 B9R1.34 CC1=CC(=CC(=O)O1)N MCULE-9405603947 [0,0,0,0,0,0|3,1,0]=4 68 B9R1.34 CC1=CC(=CC(=O)O1)O MCULE-4178961944 [0,0,0,0,0,0|2,1,1]=4 69 B9R1.34 CC1=CC(=CC(=[O+]1)C)O MCULE-3417596992 [0,0,0,0,0,0|3,0,1]=4 70 B9R1.34 CC1=CC(=NC(=C1)Br)Br MCULE-1210794771 [0,0,0,0,0,0|3,0,1]=4 71 B9R1.34 CC1=CC(=NC(=C1)Br)N MCULE-6837588835 [0,0,0,0,0,0|3,0,1]=4 72 B9R1.34 CC1=CC(=NC(=C1)C)Br MCULE-7407693796 [0,0,0,0,0,0|3,0,1]=4 73 B9R1.34 CC1=CC(=NC(=C1)C)C MCULE-3564511532 [0,0,0,0,0,0|3,0,1]=4 74 B9R1.34 CC1=CC(=NC(=C1)C)C MCULE-8513877930 [0,0,0,0,0,0|3,0,1]=4 75 B9R1.34 CC1=CC(=NC(=C1)C)Cl MCULE-5213048083 [0,0,0,0,0,0|3,0,1]=4 76 B9R1.34 CC1=CC(=NC(=C1)C)N MCULE-5790822228 [0,0,0,0,0,0|3,0,1]=4 77 B9R1.34 CC1=CC(=NC(=C1)C)S MCULE-3612333140 [0,0,0,0,0,0|2,0,2]=4 78 B9R1.34 CC1=CC(=NC(=C1)Cl)Br MCULE-9725154864 [0,0,0,0,0,0|3,0,1]=4 79 B9R1.34 CC1=CC(=NC(=C1)Cl)Cl MCULE-9283186096 [0,0,0,0,0,0|3,0,1]=4 80 B9R1.34 CC1=CC(=NC(=C1)Cl)N MCULE-3968824121 [0,0,0,0,0,0|3,0,1]=4 81 B9R1.34 CC1=CC(=NC(=C1)Cl)O MCULE-4597791932 [0,0,0,0,0,0|2,0,2]=4 82 B9R1.34 CC1=CC(=NC(=C1)F)Br MCULE-7126453148 [0,0,0,0,0,0|3,0,1]=4 83 B9R1.34 CC1=CC(=NC(=C1)F)N MCULE-1458765778 [0,0,0,0,0,0|3,0,1]=4 84 B9R1.34 CC1=CC(=NC(=C1)N)N MCULE-2254200323 [0,0,0,0,0,0|3,0,1]=4 85 B9R1.34 CC1=CC(=NC(=C1)O)O MCULE-9310040328 [0,0,0,0,0,0|1,1,2]=4 86 B9R1.34 CC1=CC(=NC(=N1)Br)Br MCULE-2401606934 [0,0,0,0,0,0|2,0,2]=4 87 B9R1.34 CC1=CC(=NC(=N1)Br)C MCULE-2345588142 [0,0,0,0,0,0|2,0,2]=4 88 B9R1.34 CC1=CC(=NC(=N1)Br)N MCULE-8799728706 [0,0,0,0,0,0|2,0,2]=4 89 B9R1.34 CC1=CC(=NC(=N1)C)Br MCULE-9644593141 [0,0,0,0,0,0|2,0,2]=4 90 B9R1.34 CC1=CC(=NC(=N1)C)C MCULE-3411148313 [0,0,0,0,0,0|2,0,2]=4 91 B9R1.34 CC1=CC(=NC(=N1)C)N MCULE-7632678635 [0,0,0,0,0,0|2,0,2]=4 92 B9R1.34 CC1=CC(=NC(=N1)Cl)C MCULE-3456132033 [0,0,0,0,0,0|2,0,2]=4 93 B9R1.34 CC1=CC(=NC(=N1)Cl)N MCULE-6800788725 [0,0,0,0,0,0|2,0,2]=4 94 B9R1.34 CC1=CC(=NC(=N1)F)Cl MCULE-2054148551 [0,0,0,0,0,0|2,0,2]=4 95 B9R1.34 CC1=CC(=NC(=N1)F)F MCULE-6747059319 [0,0,0,0,0,0|2,0,2]=4 96 B9R1.34 CC1=CC(=NC(=N1)I)C MCULE-7239694786 [0,0,0,0,0,0|2,0,2]=4 97 B9R1.34 CC1=CC(=NC(=N1)N)Br MCULE-9045718492 [0,0,0,0,0,0|2,0,2]=4 98 B9R1.34 CC1=CC(=NC(=N1)N)C MCULE-4633571562 [0,0,0,0,0,0|2,0,2]=4 99 B9R1.34 CC1=CC(=NC(=N1)N)N MCULE-6848503686 [0,0,0,0,0,0|2,0,2]=4 100 B9R1.34 CC1=CC(=NC(=N1)N)S MCULE-9668272176 [0,0,0,0,0,0|1,1,2]=4 101 B9R1.34 CC1=CC(=NC(=N1)O)C MCULE-5289074822 [0,0,0,0,0,0|1,1,2]=4 102 B9R1.34 CC1=CC(=NC(=N1)O)C MCULE-5997155650 [0,0,0,0,0,0|1,1,2]=4 103 B9R1.34 CC1=CC(=NC(=N1)O)C MCULE-8008643060 [0,0,0,0,0,0|1,1,2]=4 104 B9R1.34 CC1=CC(=NC(=N1)O)S MCULE-3029813474 [0,0,0,0,0,0|0,2,2]=4 105 B9R1.34 CC1=CC(=NC(=N1)S)C MCULE-3338119241 [0,0,0,0,0,0|1,0,3]=4 106 B9R1.34 CC1=CC(=NC(=N1)S)C MCULE-4826991706 [0,0,0,0,0,0|1,0,3]=4 107 B9R1.34 CC1=CC(=NC(=N1)[S-])C MCULE-8251119075 [0,0,0,0,0,0|1,0,3]=4 108 B9R1.34 CC1=CC(=NC(=O)N1)C MCULE-6623341819 [0,0,0,0,0,0|1,1,1]=3 109 B9R1.34 CC1=CC(=O)C=C(N1)C MCULE-9549005978 [0,0,0,0,0,0|2,0,0]=2 110 B9R1.34 CC1=CC(=O)C=C(O1)C MCULE-5402949310 [0,0,0,0,0,0|3,0,0]=3 111 B9R1.34 CC1=CC(=O)C=C(O1)O MCULE-3917877384 [0,0,0,0,0,0|2,1,0]=3 112 B9R1.34 CC1=CC(=O)CC(=O)O1 MCULE-2238720534 [0,0,0,0,0,0|2,1,0]=3 113 B9R1.34 CC1=CC(=O)CC(C1)C MCULE-4391727742 [0,0,0,0,0,0|3,0,1]=4 114 B9R1.34 CC1=CC(=O)N=C(N1)Cl MCULE-3386184434 [0,0,0,0,0,0|1,0,1]=2 115 B9R1.34 CC1=CC(=O)NC(=C1)C MCULE-3175630656 [0,0,0,0,0,0|2,0,0]=2 116 B9R1.34 CC1=CC(=O)NC(=C1)N MCULE-1738074769 [0,0,0,0,0,0|2,0,0]=2 117 B9R1.34 CC1=CC(=O)NC(=S)N1 MCULE-5250952546 [0,0,0,0,0,0|0,0,0]=0 118 B9R1.34 CC1=CC(=O)OC(=C1)C MCULE-1005897114 [0,0,0,0,0,0|3,0,0]=3 119 B9R1.34 CC1=CC(=O)OC(=O)N1 MCULE-4319728701 [0,0,0,0,0,0|1,1,0]=2 120 B9R1.34 CC1=CC(=S)C=C(O1)C MCULE-2978490882 [0,0,0,0,0,0|3,1,0]=4 121 B9R1.34 CC1=CC(=S)NC(=N1)C MCULE-2799073670 [0,0,0,0,0,0|1,1,1]=3 122 B9R1.34 CC1=CC(=[O+]C(=C1)C)C MCULE-2966020667 [0,0,0,0,0,0|4,0,0]=4 123 B9R1.34 CC1=CC(=[O+]C(=C1)C)C MCULE-3100050367 [0,0,0,0,0,0|4,0,0]=4 124 B9R1.34 CC1=CC(=[O+]C(=C1)C)C MCULE-8801709102 [0,0,0,0,0,0|4,0,0]=4 125 B9R1.34 CC1=NC(=CC(=C1)Cl)Cl MCULE-9620518075 [0,0,0,0,0,0|3,0,1]=4 126 B9R1.34 CC1=NC(=CC(=O)N1)N MCULE-8442084767 [0,0,0,0,0,0|2,0,1]=3 127 B9R1.34 CC1=NC(=NC(=C1)Cl)C MCULE-3465330374 [0,0,0,0,0,0|2,0,2]=4 128 B9R1.34 CC1=NC(=NC(=C1)Cl)Cl MCULE-3188507461 [0,0,0,0,0,0|2,0,2]=4 129 B9R1.34 CC1=NC(=NC(=C1)Cl)N MCULE-1686570214 [0,0,0,0,0,0|2,0,2]=4 130 B9R1.34 CC1=NC(=NC(=C1)F)N MCULE-4337911635 [0,0,0,0,0,0|2,0,2]=4 131 B9R1.34 CC1=NC(=NC(=C1)N)S MCULE-1886129374 [0,0,0,0,0,0|1,0,3]=4 132 B9R1.34 CC1=NC(=NC(=C1)O)C MCULE-1387501357 [0,0,0,0,0,0|1,0,3]=4 133 B9R1.34 CC1=NC(=NC(=C1)O)N MCULE-2005149532 [0,0,0,0,0,0|1,0,3]=4 134 B9R1.34 CC1=NC(=NC(=C1)O)N MCULE-8429848268 [0,0,0,0,0,0|1,0,3]=4 135 B9R1.34 CC1=NC(=NC(=C1)O)O MCULE-7149824268 [0,0,0,0,0,0|0,1,3]=4 136 B9R1.34 CC1=NC(=NC(=C1)S)S MCULE-3552532398 [0,0,0,0,0,0|0,1,3]=4 137 B9R1.34 CC1=NC(=O)CC(=C1)O MCULE-9890998052 [0,0,0,0,0,0|1,1,2]=4 138 B9R1.34 CC1=NC(=O)CC(=N1)O MCULE-5969638906 [0,0,0,0,0,0|2,1,1]=4 139 B9R1.34 CC1CC(=O)CC(=O)N1 MCULE-4178844211 [0,0,0,0,0,0|1,1,2]=4 140 B9R1.34 CC1CC(=O)NC(=O)N1 MCULE-2066103800 [0,0,0,0,0,0|0,1,2]=3 141 B9R1.34 CC1CC(=O)NC(=S)N1 MCULE-3560554851 [0,0,0,0,0,0|0,0,2]=2 142 B9R1.34 CN1CC(=O)NC(=O)C1 MCULE-9312522895 [0,0,0,0,0,0|2,1,1]=4 143 B9R1.34 C[C@H]1CC(=O)CC(=O)N1 MCULE-6238430821 [0,0,0,0,0,0|1,1,2]=4 144 B9R1.34 NC1=CC(=CC(=O)N1)O MCULE-5663243183 [0,0,0,0,0,0|3,0,0]=3 145 B9R1.34 NC1=CC(=O)NC(=C1)F MCULE-1710027350 [0,0,0,0,0,0|3,0,0]=3 146 B9R1.34 NC1=CC(=O)NC(=C1)O MCULE-3882042487 [0,0,0,0,0,0|2,1,0]=3 147 B9R1.34 NC1=CC(=O)NC(=N1)Cl MCULE-6120131493 [0,0,0,0,0,0|2,0,1]=3 148 B9R1.34 NC1=CC(=O)NC(=N1)N MCULE-5011664599 [0,0,0,0,0,0|2,0,1]=3 149 B9R1.34 NC1=NC(=CC(=O)N1)Cl MCULE-7901887440 [0,0,0,0,0,0|2,0,1]=3 150 B9R1.34 NC1=NC(=CC(=O)N1)F MCULE-6215319582 [0,0,0,0,0,0|2,0,1]=3 151 B9R1.34 NC1=NC(=O)CC(=O)N1 MCULE-4304162919 [0,0,0,0,0,0|2,0,2]=4 152 B9R1.34 NC1=NC(=O)NC(=C1)Cl MCULE-1890918637 [0,0,0,0,0,0|2,1,1]=4 153 B9R1.34 NC1=NC(=O)NC(=C1)Cl MCULE-3508827707 [0,0,0,0,0,0|2,1,1]=4 154 B9R1.34 NC1=NC(=O)NC(=C1)F MCULE-8549659767 [0,0,0,0,0,0|2,1,1]=4 155 B9R1.34 NC1=NC(=O)NC(=N1)S MCULE-7040117575 [0,0,0,0,0,0|2,0,2]=4 156 B9R1.34 NC1=NC(=S)NC(=N1)N MCULE-8295765589 [0,0,0,0,0,0|3,0,1]=4 157 B9R1.34 O=C1C=C(C=C(N1)Cl)Br MCULE-8632612031 [0,0,0,0,0,0|3,0,0]=3 158 B9R1.34 O=C1C=C(C=C(N1)Cl)Cl MCULE-1887146487 [0,0,0,0,0,0|3,0,0]=3 159 B9R1.34 O=C1C=C(C=C(N1)O)I MCULE-8256519601 [0,0,0,0,0,0|2,1,0]=3 160 B9R1.34 O=C1C=C(NC(=O)N1)Br MCULE-3840650924 [0,0,0,0,0,0|1,1,0]=2 161 B9R1.34 O=C1C=C(NC(=O)N1)Cl MCULE-2281590199 [0,0,0,0,0,0|1,1,0]=2 162 B9R1.34 O=C1C=C(NC(=O)N1)F MCULE-4457115383 [0,0,0,0,0,0|1,1,0]=2 163 B9R1.34 O=C1C=C(NC(=O)N1)I MCULE-4986004483 [0,0,0,0,0,0|1,1,0]=2 164 B9R1.34 O=C1CC(=NC(=O)N1)[O-] MCULE-5852182390 [0,0,0,0,0,0|1,1,2]=4 165 B9R1.34 O=C1CC(=O)NC(=O)N1 MCULE-3947237773 [0,0,0,0,0,0|1,1,1]=3 166 B9R1.34 O=C1CC(=O)NC(=S)N1 MCULE-6314984434 [0,0,0,0,0,0|1,0,1]=2 167 B9R1.34 O=C1CC(=O)[N-]C(=S)[N-]1 MCULE-8557172665 [0,0,0,0,0,0|1,0,3]=4 168 B9R1.34 O=C1N=C(C=C(N1)Cl)Cl MCULE-4885987307 [0,0,0,0,0,0|2,1,1]=4 169 B9R1.34 O=C1N=C(NC(=O)N1)Cl MCULE-5015398867 [0,0,0,0,0,0|2,1,0]=3 170 B8R1.4 CC1=CC(=CC=C1)F MCULE-6045140729 [1,0,0,0,0,0|3,0,0]=4 171 B8R1.4 CC1=CC(=CC=C1)I MCULE-3795791692 [1,0,0,0,0,0|3,0,0]=4 172 B8R1.4 CC1=CC(=CC=C1)N MCULE-1920471804 [1,0,0,0,0,0|3,0,0]=4 173 B8R1.4 CC1=CC(=CC=C1)N MCULE-5245184326 [1,0,0,0,0,0|3,0,0]=4 174 B8R1.4 CC1=CC(=CC=C1)O MCULE-6836106503 [1,0,0,0,0,0|2,0,1]=4 175 B8R1.4 CC1=CC(=CC=N1)Cl MCULE-9459644382 [1,0,0,0,0,0|2,0,1]=4 176 B8R1.4 CC1=CC(=CC=N1)N MCULE-3535156881 [1,0,0,0,0,0|2,0,1]=4 177 B8R1.4 CC1=CC(=CC=N1)N MCULE-8749182622 [1,0,0,0,0,0|2,0,1]=4 178 B8R1.4 CC1=CC(=NC=C1)Br MCULE-8988330220 [1,0,0,0,0,0|2,0,1]=4 179 B8R1.4 CC1=CC(=NC=C1)F MCULE-4154941851 [1,0,0,0,0,0|2,0,1]=4 180 B8R1.4 CC1=CC(=NC=C1)I MCULE-6014268393 [1,0,0,0,0,0|2,0,1]=4 181 B8R1.4 CC1=CC(=NC=C1)O MCULE-3234180258 [1,0,0,0,0,0|1,0,2]=4 182 B8R1.4 CC1=CC(=NC=C1)S MCULE-3675734533 [1,0,0,0,0,0|1,0,2]=4 183 B8R1.4 CC1=CC(=NC=N1)C MCULE-6866776039 [1,0,0,0,0,0|1,0,2]=4 184 B8R1.4 CC1=CC(=NC=N1)Cl MCULE-1751459646 [1,0,0,0,0,0|1,0,2]=4 185 B8R1.4 CC1=CC(=O)C=CO1 MCULE-4709385267 [1,0,0,0,0,0|2,0,0]=3 186 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [1,0,0,0,0,0|2,0,1]=4 187 B8R1.4 CC1=CC(=O)NC=N1 MCULE-4546584000 [1,0,0,0,0,0|0,0,1]=2 188 B8R1.4 CC1=CC(=O)NN=C1 MCULE-4739919200 [1,0,0,0,0,0|2,0,0]=3 189 B8R1.4 CC1=CC(=O)NON1 MCULE-9289039883 [1,0,0,0,0,0|1,0,0]=2 190 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [1,0,0,0,0,0|2,0,1]=4 191 B8R1.4 CC1=CC(=S)NC=N1 MCULE-6467145460 [1,0,0,0,0,0|0,1,1]=3 192 B8R1.4 CC1=CC=CC(=C1)Br MCULE-4991934524 [1,0,0,0,0,0|3,0,0]=4 193 B8R1.4 CC1=CC=CC(=C1)C MCULE-9376558510 [1,0,0,0,0,0|3,0,0]=4 194 B8R1.4 CC1=CC=CC(=C1)Cl MCULE-9550807032 [1,0,0,0,0,0|3,0,0]=4 195 B8R1.4 CC1=CC=CC(=C1)N MCULE-1279166450 [1,0,0,0,0,0|3,0,0]=4 196 B8R1.4 CC1=CC=CC(=C1)N MCULE-5301195436 [1,0,0,0,0,0|3,0,0]=4 197 B8R1.4 CC1=CC=CC(=C1)S MCULE-6507261580 [1,0,0,0,0,0|2,0,1]=4 198 B8R1.4 CC1=CC=CC(=C1)[O-] MCULE-8199453116 [1,0,0,0,0,0|2,0,1]=4 199 B8R1.4 CC1=CC=CC(=N1)Br MCULE-5449488171 [1,0,0,0,0,0|2,0,1]=4 200 B8R1.4 CC1=CC=CC(=N1)C MCULE-7437303122 [1,0,0,0,0,0|2,0,1]=4 201 B8R1.4 CC1=CC=CC(=N1)C MCULE-9899916337 [1,0,0,0,0,0|2,0,1]=4 202 B8R1.4 CC1=CC=CC(=N1)Cl MCULE-5983649332 [1,0,0,0,0,0|2,0,1]=4 203 B8R1.4 CC1=CC=CC(=N1)F MCULE-1236906403 [1,0,0,0,0,0|2,0,1]=4 204 B8R1.4 CC1=CC=CC(=N1)I MCULE-7577310384 [1,0,0,0,0,0|2,0,1]=4 205 B8R1.4 CC1=CC=CC(=N1)N MCULE-5016880155 [1,0,0,0,0,0|2,0,1]=4 206 B8R1.4 CC1=CC=CC(=O)N1 MCULE-2763977381 [1,0,0,0,0,0|1,1,0]=3 207 B8R1.4 CC1=CC=CC(=S)N1 MCULE-5057123376 [1,0,0,0,0,0|1,0,0]=2 208 B8R1.4 CC1=CC=NC(=C1)C MCULE-4424416466 [1,0,0,0,0,0|2,0,1]=4 209 B8R1.4 CC1=CC=NC(=C1)Cl MCULE-4977719137 [1,0,0,0,0,0|2,0,1]=4 210 B8R1.4 CC1=CC=NC(=C1)N MCULE-2912880619 [1,0,0,0,0,0|2,0,1]=4 211 B8R1.4 CC1=CC=NC(=N1)Br MCULE-7647317023 [1,0,0,0,0,0|1,0,2]=4 212 B8R1.4 CC1=CC=NC(=N1)Cl MCULE-7611590161 [1,0,0,0,0,0|1,0,2]=4 213 B8R1.4 CC1=CC=NC(=O)C1 MCULE-4882777367 [1,0,0,0,0,0|1,0,2]=4 214 B8R1.4 CC1=CC=NC(=O)N1 MCULE-6541642341 [1,0,0,0,0,0|0,1,1]=3 215 B8R1.4 CC1=NC(=N)C=CN1 MCULE-6773374255 [1,0,0,0,0,0|2,0,1]=4 216 B8R1.4 CC1=NC(=N)C=CN1 MCULE-6777516279 [1,0,0,0,0,0|2,0,1]=4 217 B8R1.4 CC1=NC(=NC=C1)C MCULE-8802802250 [1,0,0,0,0,0|1,0,2]=4 218 B8R1.4 CC1=NC(=NC=C1)I MCULE-5951893872 [1,0,0,0,0,0|1,0,2]=4 219 B8R1.4 CC1=NC(=NC=C1)N MCULE-5796368820 [1,0,0,0,0,0|1,0,2]=4 220 B8R1.4 CC1=NC(=NC=C1)S MCULE-2052857874 [1,0,0,0,0,0|0,0,3]=4 221 B8R1.4 CC1=NC(=NC=C1)S MCULE-3346030220 [1,0,0,0,0,0|0,0,3]=4 222 B8R1.4 CC1=NC(=O)C=CN1 MCULE-5044952802 [1,0,0,0,0,0|1,0,1]=3 223 B8R1.4 CC1=NC(=O)NC=C1 MCULE-2973571138 [1,0,0,0,0,0|0,1,1]=3 224 B8R1.4 CC1=NC=CC(=C1)Br MCULE-3282338305 [1,0,0,0,0,0|2,0,1]=4 225 B8R1.4 CC1=NC=CC(=C1)Br MCULE-6217035964 [1,0,0,0,0,0|2,0,1]=4 226 B8R1.4 CC1=NC=CC(=C1)Br MCULE-9620229659 [1,0,0,0,0,0|2,0,1]=4 227 B8R1.4 CC1=NC=CC(=C1)F MCULE-2696341329 [1,0,0,0,0,0|2,0,1]=4 228 B8R1.4 CC1=NC=CC(=C1)I MCULE-7881506911 [1,0,0,0,0,0|2,0,1]=4 229 B8R1.4 CC1=NC=CC(=C1)O MCULE-5342065244 [1,0,0,0,0,0|1,0,2]=4 230 B8R1.4 CC1=NC=NC(=C1)Br MCULE-2927272112 [1,0,0,0,0,0|1,0,2]=4 231 B8R1.4 CC1=NC=NC(=C1)I MCULE-4656842434 [1,0,0,0,0,0|1,0,2]=4 232 B8R1.4 CC1=NC=NC(=C1)N MCULE-1556282320 [1,0,0,0,0,0|1,0,2]=4 233 B8R1.4 NC1=CC(=O)NN=C1 MCULE-1959597477 [1,0,0,0,0,0|3,0,0]=4 234 B8R1.4 NC1=CN=CC(=O)N1 MCULE-3785264411 [1,0,0,0,0,0|3,0,0]=4 235 B8R1.4 NC1=NC(=O)NC=C1 MCULE-4426252594 [1,0,0,0,0,0|1,1,1]=4 236 B8R1.4 NC1=NC(=O)NC=C1 MCULE-5444602171 [1,0,0,0,0,0|1,1,1]=4 237 B8R1.4 NC1=NC=CC(=O)N1 MCULE-7474139826 [1,0,0,0,0,0|1,0,1]=3 238 B8R1.4 NC1=NC=NC(=O)N1 MCULE-2741288744 [1,0,0,0,0,0|2,0,1]=4 239 B8R1.4 O=C1C=C(C=CN1)F MCULE-3668200526 [1,0,0,0,0,0|2,0,0]=3 240 B8R1.4 O=C1C=C(C=CN1)I MCULE-3087331274 [1,0,0,0,0,0|2,0,0]=3 241 B8R1.4 O=C1C=C(C=CO1)Br MCULE-4630205017 [1,0,0,0,0,0|3,0,0]=4 242 B8R1.4 O=C1C=C(C=CO1)Cl MCULE-6319657516 [1,0,0,0,0,0|3,0,0]=4 243 B8R1.4 O=C1C=C(C=NN1)Cl MCULE-3362096457 [1,0,0,0,0,0|3,0,0]=4 244 B8R1.4 O=C1C=C(C=NN1)I MCULE-4212498492 [1,0,0,0,0,0|3,0,0]=4 245 B8R1.4 O=C1C=C(CCN1)Br MCULE-5356952780 [1,0,0,0,0,0|2,0,1]=4 246 B8R1.4 O=C1C=C(N=CC1)Cl MCULE-8901399182 [1,0,0,0,0,0|2,0,1]=4 247 B8R1.4 O=C1C=C(NC=N1)Br MCULE-2673426547 [1,0,0,0,0,0|1,0,1]=3 248 B8R1.4 O=C1C=CC=C(N1)Cl MCULE-5990074384 [1,0,0,0,0,0|2,0,0]=3 249 B8R1.4 O=C1C=CC=C(N1)I MCULE-7962501587 [1,0,0,0,0,0|2,0,0]=3 250 B8R1.4 O=C1C=CNC(=O)C1 MCULE-7422070219 [1,0,0,0,0,0|1,1,0]=3 251 B8R1.4 O=C1C=CNC(=O)O1 MCULE-3791093466 [1,0,0,0,0,0|1,1,0]=3 252 B8R1.4 O=C1C=CNC(=[Se])N1 MCULE-7954757005 [1,0,0,0,0,0|0,1,0]=2 253 B8R1.4 O=C1C=COC(=O)C1 MCULE-9289887221 [1,0,0,0,0,0|2,1,0]=4 254 B8R1.4 O=C1CC(=O)NC=N1 MCULE-1818472509 [1,0,0,0,0,0|1,0,2]=4 255 B8R1.4 O=C1CCNC(=O)N1 MCULE-8986910982 [1,0,0,0,0,0|0,1,2]=4 256 B8R1.4 O=C1N=C(C=CN1)Cl MCULE-6239849546 [1,0,0,0,0,0|1,1,1]=4 257 B8R1.4 O=C1N=CCC(=S)N1 MCULE-8510009070 [1,0,0,0,0,0|2,0,0]=3 258 B8R1.4 O=C1N=CNC(=O)N1 MCULE-2256730820 [1,0,0,0,0,0|1,1,0]=3 259 B8R1.4 O=C1NC(=S)CCS1 MCULE-5745642312 [1,0,0,0,0,0|2,0,1]=4 260 B8R1.4 O=C1NCNC(=O)N1 MCULE-7478557250 [1,0,0,0,0,0|1,1,1]=4 261 B8R1.4 O=C1NN=CC(=S)N1 MCULE-8520073366 [1,0,0,0,0,0|1,2,0]=4 262 B8R1.4 S=C1C=NNC(=S)N1 MCULE-7897746903 [1,0,0,0,0,0|1,1,0]=3 263 B8R1.4 S=C1N=CC=C(N1)Cl MCULE-1741017791 [1,0,0,0,0,0|1,0,1]=3 264 B10R1.8 C=CC1=CC(=O)NC(=O)N1 MCULE-7194319105 [0,1,0,0,0,0|0,1,1]=3 265 B10R1.8 CC1=CC(=CC(=C1)Br)C=O MCULE-8377054583 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.8 CC1=CC(=CC(=C1)C=O)C MCULE-5641011320 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.8 CC1=CC(=CC(=C1)C=O)Cl MCULE-1688407620 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.8 CC1=CC(=CC(=C1)C=O)F MCULE-6412839423 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.8 CC1=CC(=CC(=C1)I)C=O MCULE-9919677428 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.8 CC1=CC(=CC(=C1)O)C=O MCULE-5737099017 [0,1,0,0,0,0|2,1,0]=4 271 B10R1.8 CC1=CC(=CC(=N1)C)C=O MCULE-4648675211 [0,1,0,0,0,0|2,0,1]=4 272 B10R1.8 CC1=CC(=CC(=O)N1)CN MCULE-2284099896 [0,1,0,0,0,0|2,0,0]=3 273 B10R1.8 CC1=CC(=CC(=O)N1)CN MCULE-4829375140 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.8 CC1=CC(=NC(=C1)C)C=O MCULE-2039430853 [0,1,0,0,0,0|2,0,1]=4 275 B10R1.8 CC1=CC(=NC(=C1)Cl)C=O MCULE-9558369946 [0,1,0,0,0,0|2,0,1]=4 276 B10R1.8 CC1=CC(=NC(=N1)C)C=O MCULE-7464529088 [0,1,0,0,0,0|1,0,2]=4 277 B10R1.8 CC1=CC(=NC(=N1)N)C=O MCULE-8758133947 [0,1,0,0,0,0|1,0,2]=4 278 B10R1.8 CC1=CC(=O)C=C(O1)CBr MCULE-7698223896 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.8 CC1=CC(=O)NC(=N1)CN MCULE-4236400298 [0,1,0,0,0,0|1,0,1]=3 280 B10R1.8 CC1=CC(=O)NC(=N1)CN MCULE-8411474809 [0,1,0,0,0,0|1,0,1]=3 281 B10R1.8 CC1=CC(=O)NC(=N1)NN MCULE-3338769117 [0,1,0,0,0,0|1,0,1]=3 282 B10R1.8 CC1=CC(=O)OC(=C1)CCl MCULE-4516724807 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.8 CC1=NC(=CC(=C1)C=O)Cl MCULE-7464451780 [0,1,0,0,0,0|2,0,1]=4 284 B10R1.8 CCC1=CC(=O)NC(=N1)C MCULE-9980756665 [0,1,0,0,0,0|1,0,1]=3 285 B10R1.8 CCC1=CC(=O)NC(=N1)N MCULE-7256034075 [0,1,0,0,0,0|1,0,1]=3 286 B10R1.8 CCC1=CC(=O)NC(=O)N1 MCULE-1656089601 [0,1,0,0,0,0|0,1,0]=2 287 B10R1.8 CCC1=CC(=O)NC(=S)N1 MCULE-6071312738 [0,1,0,0,0,0|0,0,0]=1 288 B10R1.8 CCC1=NC(=O)CC(=O)N1 MCULE-1252381442 [0,1,0,0,0,0|2,1,0]=4 289 B10R1.8 CNC1=CC(=O)NC(=O)N1 MCULE-5972679940 [0,1,0,0,0,0|0,1,0]=2 290 B10R1.8 CNC1=NC(=CC(=O)N1)Cl MCULE-8026003205 [0,1,0,0,0,0|2,0,1]=4 291 B10R1.8 CNC1=NC(=CC(=O)N1)F MCULE-1538476842 [0,1,0,0,0,0|2,0,1]=4 292 B10R1.8 COC1=CC(=O)NC(=N1)N MCULE-2337087481 [0,1,0,0,0,0|1,0,1]=3 293 B10R1.8 COC1=CC(=O)NC(=O)N1 MCULE-5375145256 [0,1,0,0,0,0|0,1,0]=2 294 B10R1.8 COC1=CC(=O)OC(=C1)C MCULE-9155067913 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.8 COC1=NC(=CC(=O)N1)C MCULE-1182445576 [0,1,0,0,0,0|0,1,1]=3 296 B10R1.8 COC1=NC(=CC(=O)N1)N MCULE-2072235471 [0,1,0,0,0,0|1,1,1]=4 297 B10R1.8 CSC1=NC(=CC(=O)N1)C MCULE-5697612484 [0,1,0,0,0,0|0,0,2]=3 298 B10R1.8 CSC1=NC(=CC(=O)N1)Cl MCULE-6478517296 [0,1,0,0,0,0|1,0,2]=4 299 B10R1.8 CSC1=NC(=CC(=O)N1)N MCULE-4414653199 [0,1,0,0,0,0|1,0,2]=4 300 B10R1.8 CSC1=NC(=CC(=S)N1)C MCULE-5909741201 [0,1,0,0,0,0|0,1,2]=4 301 B10R1.8 CSC1=NC(=O)C=C(N1)O MCULE-5254557731 [0,1,0,0,0,0|1,0,2]=4 302 B10R1.8 CSC1=NC(=O)CC(=O)N1 MCULE-6624996643 [0,1,0,0,0,0|2,1,0]=4 303 B10R1.8 CSC1NC(=O)C=C(N1)N MCULE-9417952446 [0,1,0,0,0,0|1,0,2]=4 304 B10R1.8 NC1=NC(=O)C=C(N1)CO MCULE-8115067038 [0,1,0,0,0,0|1,0,1]=3 305 B10R1.8 NC1=NC(=O)NC(=C1)CO MCULE-6855905544 [0,1,0,0,0,0|1,1,1]=4 306 B10R1.8 NCC1=CC(=O)NC(=N1)S MCULE-3429535295 [0,1,0,0,0,0|0,0,2]=3 307 B10R1.8 NCC1=CC(=O)NC(=N1)S MCULE-7445446284 [0,1,0,0,0,0|0,0,2]=3 308 B10R1.8 NCC1=CC(=O)NC(=O)N1 MCULE-3879084303 [0,1,0,0,0,0|0,1,0]=2 309 B10R1.8 NCC1=CC(=O)NC(=O)N1 MCULE-8158860012 [0,1,0,0,0,0|0,1,0]=2 310 B10R1.8 NNC1=CC(=O)NC(=O)N1 MCULE-1469229530 [0,1,0,0,0,0|1,1,0]=3 311 B10R1.8 NNC1=NC(=CC(=O)N1)N MCULE-9228411728 [0,1,0,0,0,0|2,0,1]=4 312 B10R1.8 O=C1C/C(=N\O)/NC(=O)N1 MCULE-3947010417 [0,1,0,0,0,0|1,1,1]=4 313 B10R1.8 O=C1C=C(NC(=N1)CCl)Cl MCULE-2878777019 [0,1,0,0,0,0|2,0,1]=4 314 B10R1.8 O=C1C=C(NC(=O)N1)CBr MCULE-1615723991 [0,1,0,0,0,0|0,1,0]=2 315 B10R1.8 O=C1C=C(NC(=O)N1)CCl MCULE-8212962530 [0,1,0,0,0,0|0,1,0]=2 316 B10R1.8 O=C1C=C(NC(=O)N1)CO MCULE-5458955186 [0,1,0,0,0,0|0,1,0]=2 317 B10R1.8 O=C1C=C(NC(=S)N1)CO MCULE-6688543299 [0,1,0,0,0,0|0,0,0]=1 318 B10R1.8 O=CC1=CC(=O)NC(=O)N1 MCULE-5989318185 [0,1,0,0,0,0|0,1,1]=3 319 B10R1.8 O=CC1=CC(=O)NC(=S)N1 MCULE-9142470762 [0,1,0,0,0,0|0,0,1]=2 320 B10R1.22 CC1=C(C(=CC(=O)N1)O)C MCULE-3546454146 [0,1,0,0,0,0|1,1,1]=4 321 B10R1.22 CC1=C(C(=O)NC(=N1)N)C MCULE-8017907361 [0,1,0,0,0,0|1,0,1]=3 322 B10R1.22 CC1=C(C(=O)NC(=O)N1)Br MCULE-9555073495 [0,1,0,0,0,0|0,1,0]=2 323 B10R1.22 CC1=C(C(=O)NC(=O)N1)Cl MCULE-3888854401 [0,1,0,0,0,0|0,1,0]=2 324 B10R1.22 CC1=C(C(=O)NC(=O)N1)I MCULE-2631615338 [0,1,0,0,0,0|0,1,0]=2 325 B10R1.22 CC1=C(C(=O)NC(=O)N1)N MCULE-1788753048 [0,1,0,0,0,0|0,1,0]=2 326 B10R1.22 CC1=C(C(=O)NC(=O)N1)O MCULE-7766529114 [0,1,0,0,0,0|0,1,0]=2 327 B10R1.22 CC1=C(C(=O)NC(=S)N1)C MCULE-7620589455 [0,1,0,0,0,0|0,0,0]=1 328 B10R1.22 CC1=C(N=C(NC1=O)S)N MCULE-1772199181 [0,1,0,0,0,0|1,0,2]=4 329 B10R1.22 CC1=C(NC(=O)C=C1O)Cl MCULE-2948701525 [0,1,0,0,0,0|3,0,0]=4 330 B10R1.22 CC1=C(NC(=O)NC1=O)Cl MCULE-9699231079 [0,1,0,0,0,0|1,1,0]=3 331 B10R1.22 CC1=C(NC(=O)NC1=O)N MCULE-3180991385 [0,1,0,0,0,0|1,1,0]=3 332 B10R1.22 CC1=CC(=C(C(=O)N1)C)O MCULE-2746434164 [0,1,0,0,0,0|1,1,1]=4 333 B10R1.22 CC1=CC(=C(C(=O)N1)N)C MCULE-3042119773 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.22 CC1=CC(=CC(=O)N1C)Br MCULE-2419605407 [0,1,0,0,0,0|2,1,0]=4 335 B10R1.22 CC1=CC(=CC(=O)N1C)N MCULE-6900068112 [0,1,0,0,0,0|2,1,0]=4 336 B10R1.22 CC1=CC(=CC(=O)N1C)O MCULE-9863145215 [0,1,0,0,0,0|1,1,1]=4 337 B10R1.22 CC1=CC(=O)C(=C(N1)C)C MCULE-7141390274 [0,1,0,0,0,0|2,0,0]=3 338 B10R1.22 CC1=CC(=O)C(=C(O1)C)Br MCULE-6038508921 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.22 CC1=CC(=O)C=C(C1=O)C MCULE-4487129132 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.22 CC1=CC(=O)C=C(C1=O)Cl MCULE-6754827113 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.22 CC1=CC(=O)C=C(N1C)C MCULE-7774103259 [0,1,0,0,0,0|2,0,0]=3 342 B10R1.22 CC1=CC(=O)N(C(=C1)C)N MCULE-1807585606 [0,1,0,0,0,0|2,0,0]=3 343 B10R1.22 CC1=CC(=O)N(C(=C1)C)N MCULE-8166944371 [0,1,0,0,0,0|2,0,0]=3 344 B10R1.22 CC1=CC(=O)N(C(=C1)C)O MCULE-1941069800 [0,1,0,0,0,0|2,0,0]=3 345 B10R1.22 CC1=CC(=O)N(C(=C1)N)C MCULE-4771503687 [0,1,0,0,0,0|2,0,0]=3 346 B10R1.22 CC1=CC(=O)N(C(=C1)N)N MCULE-3716493671 [0,1,0,0,0,0|2,0,0]=3 347 B10R1.22 CC1=CC(=O)N(C(=N1)N)N MCULE-5331544959 [0,1,0,0,0,0|1,0,1]=3 348 B10R1.22 CC1=CC(=O)N(C(=O)C1)N MCULE-9753429937 [0,1,0,0,0,0|1,1,0]=3 349 B10R1.22 CC1=CC(=O)N(C(=O)N1)C MCULE-3688752925 [0,1,0,0,0,0|0,1,0]=2 350 B10R1.22 CC1=CC(=O)N(C(=O)O1)C MCULE-5955790113 [0,1,0,0,0,0|1,1,0]=3 351 B10R1.22 CC1=CC(=O)N(C(=S)N1)C MCULE-5783048669 [0,1,0,0,0,0|0,0,0]=1 352 B10R1.22 CC1=CC(=O)N(C(=S)N1)N MCULE-2856836834 [0,1,0,0,0,0|0,0,0]=1 353 B10R1.22 CC1=CC(=O)NC(=C1Br)C MCULE-3594651484 [0,1,0,0,0,0|2,0,0]=3 354 B10R1.22 CC1=CC(=O)NC(=O)N1C MCULE-4776814426 [0,1,0,0,0,0|0,1,0]=2 355 B10R1.22 CC1=CC(=S)C=C(N1C)C MCULE-8226526055 [0,1,0,0,0,0|2,1,0]=4 356 B10R1.22 CC1=CC(=S)N(C(=S)N1)N MCULE-9838811371 [0,1,0,0,0,0|0,1,0]=2 357 B10R1.22 CC1=CN(C(=O)C(=O)N1)C MCULE-8799568311 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.22 CC1=NC(=C(C(=O)N1)C)Cl MCULE-5900147720 [0,1,0,0,0,0|2,0,1]=4 359 B10R1.22 CC1=NC(=C(C(=O)N1)C)O MCULE-6236682380 [0,1,0,0,0,0|2,0,1]=4 360 B10R1.22 CC1=NC(=C(C(=O)N1)Cl)O MCULE-4468060310 [0,1,0,0,0,0|2,0,1]=4 361 B10R1.22 CC1=NC(=O)C(=C(N1)C)F MCULE-5714738648 [0,1,0,0,0,0|1,0,1]=3 362 B10R1.22 CC1=NC(=O)C(=C(N1)Cl)F MCULE-4647805655 [0,1,0,0,0,0|2,0,1]=4 363 B10R1.22 CC1=NC(=O)C(=C(N1)N)N MCULE-1678971295 [0,1,0,0,0,0|2,0,1]=4 364 B10R1.22 CC1=NC(=O)C(=C(N1)O)F MCULE-5847090975 [0,1,0,0,0,0|2,0,1]=4 365 B10R1.22 CC1=NC(=O)C(C(=O)N1)Br MCULE-2154280464 [0,1,0,0,0,0|2,1,0]=4 366 B10R1.22 CC1=NC(=O)NC(=C1Br)C MCULE-2601002419 [0,1,0,0,0,0|1,1,1]=4 367 B10R1.22 CC1=NC(=S)NC(=O)C1C MCULE-9429260760 [0,1,0,0,0,0|0,0,2]=3 368 B10R1.22 CC1C(=O)NC(=O)NC1=O MCULE-7961229332 [0,1,0,0,0,0|1,1,1]=4 369 B10R1.22 CN1C(=O)C=C(C=C1Cl)Br MCULE-1732906483 [0,1,0,0,0,0|3,0,0]=4 370 B10R1.22 CN1C(=O)C=C(N=C1N)Cl MCULE-6764720818 [0,1,0,0,0,0|2,0,1]=4 371 B10R1.22 CN1C(=O)C=C(NC1=O)Cl MCULE-6595286325 [0,1,0,0,0,0|1,1,0]=3 372 B10R1.22 CN1C(=O)C=C(NC1=O)N MCULE-3869126153 [0,1,0,0,0,0|1,1,0]=3 373 B10R1.22 CN1C(=O)C=C(NC1=O)O MCULE-8037018718 [0,1,0,0,0,0|1,1,0]=3 374 B10R1.22 CN1C(=O)CC(=O)NC1=O MCULE-7478193411 [0,1,0,0,0,0|1,1,1]=4 375 B10R1.22 CN1C(=O)CC(=O)NC1=S MCULE-8355052023 [0,1,0,0,0,0|1,0,1]=3 376 B10R1.22 CN1C(=O)N=C(NC1=O)S MCULE-6720161421 [0,1,0,0,0,0|2,1,0]=4 377 B10R1.22 CN1C(=O)NC(=O)C=C1Cl MCULE-7825661987 [0,1,0,0,0,0|1,1,0]=3 378 B10R1.22 CN1C(=O)NC(=O)C=C1N MCULE-3639154142 [0,1,0,0,0,0|1,1,0]=3 379 B10R1.22 CN1C(=S)NC(=O)C=C1N MCULE-8244560952 [0,1,0,0,0,0|1,0,0]=2 380 B10R1.22 N=C1NC(=N)N(C(=S)N1)N MCULE-8716614218 [0,1,0,0,0,0|3,0,0]=4 381 B10R1.22 NC1=C(C(=O)NC(=O)N1)Br MCULE-8672880869 [0,1,0,0,0,0|1,1,0]=3 382 B10R1.22 NC1=C(C(=O)NC(=O)N1)I MCULE-7637696964 [0,1,0,0,0,0|1,1,0]=3 383 B10R1.22 NC1=C(C(=O)NC(=O)N1)N MCULE-4581359752 [0,1,0,0,0,0|1,1,0]=3 384 B10R1.22 NC1=C(C(=O)NC(=S)N1)N MCULE-2878751510 [0,1,0,0,0,0|1,0,0]=2 385 B10R1.22 NC1=C(C(=S)NC(=S)N1)N MCULE-1211544693 [0,1,0,0,0,0|1,1,0]=3 386 B10R1.22 NC1=CC(=NC(=S)N1N)N MCULE-5057769381 [0,1,0,0,0,0|2,0,1]=4 387 B10R1.22 NC1=NC(=O)C(=C(N1)Cl)Br MCULE-4614433472 [0,1,0,0,0,0|2,0,1]=4 388 B10R1.22 NC1=NC(=O)C(=C(N1)Cl)I MCULE-7938551164 [0,1,0,0,0,0|2,0,1]=4 389 B10R1.22 NC1C(=O)NC(=O)NC1=O MCULE-8127541765 [0,1,0,0,0,0|1,1,1]=4 390 B10R1.22 NC1C(=O)NC(=O)NC1=S MCULE-6414499413 [0,1,0,0,0,0|1,1,1]=4 391 B10R1.22 O=C1NC(=O)C(=C(N1)Cl)Br MCULE-3569046173 [0,1,0,0,0,0|1,1,0]=3 392 B10R1.22 O=C1NC(=O)C(=C(N1)Cl)Cl MCULE-8068256823 [0,1,0,0,0,0|1,1,0]=3 393 B10R1.22 O=C1NC(=O)C(=C(N1)Cl)I MCULE-4077077518 [0,1,0,0,0,0|1,1,0]=3 394 B10R1.22 O=C1NC(=O)C(=O)C(=O)N1 MCULE-9690188027 [0,1,0,0,0,0|1,1,0]=3 395 B10R1.22 O=C1NC(=O)C(C(=O)N1)Br MCULE-2631970050 [0,1,0,0,0,0|1,1,1]=4 396 B10R1.22 [NH3+]C1=C(NC(=S)NC1=O)[O-] MCULE-2685623938 [0,1,0,0,0,0|1,0,0]=2 397 B10R1.329 CC1(C=C(CC(=S)N1)O)C MCULE-8282460525 [0,1,0,0,0,0|1,0,2]=4 398 B10R1.329 CC1=CC(=O)NS(=O)(=O)O1 MCULE-8987036812 [0,1,0,0,0,0|2,1,0]=4 399 B10R1.329 CC1=CC(NC(=S)S1)(C)C MCULE-5772359161 [0,1,0,0,0,0|2,0,1]=4 400 B8R0.5 CCNC(=CC(=O)C)C MCULE-8804688598 [0,0,1,0,0,0|2,0,1]=4 401 B8R0.5 CCOC(=O)/C=C(/C)\N MCULE-2741839757 [0,0,1,0,0,0|2,0,1]=4 402 B8R0.5 CCOC(=O)/C=C(\C)/N MCULE-2531351299 [0,0,1,0,0,0|2,0,1]=4 403 B8R0.5 CCOC(=O)C=C(C)N MCULE-5559390637 [0,0,1,0,0,0|2,0,1]=4 404 B8R0.5 CCOC(=O)CC(=S)N MCULE-8264583697 [0,0,1,0,0,0|2,0,1]=4 405 B8R0.5 CCOC(=O)NC(=O)N MCULE-7086796426 [0,0,1,0,0,0|1,1,1]=4 406 B8R1.18 CC1=C(NC(=N1)Br)Br MCULE-7943740516 [0,0,0,0,1,0|2,0,1]=4 407 B8R1.18 CC1=C(NC(=N1)Br)C MCULE-8227466521 [0,0,0,0,1,0|2,0,1]=4 408 B8R1.18 CC1=C(NC(=N1)Cl)C MCULE-8866377899 [0,0,0,0,1,0|2,0,1]=4 409 B8R1.18 CC1=C(NC(=N1)I)I MCULE-9282668797 [0,0,0,0,1,0|2,0,1]=4 410 B8R1.18 CC1=C(NC(=N1)N)C MCULE-1919960152 [0,0,0,0,1,0|2,0,1]=4 411 B8R1.18 CC1=C(NC(=N1)N)C MCULE-6891118020 [0,0,0,0,1,0|2,0,1]=4 412 B8R1.18 CC1=C(NC(=O)N1)C MCULE-1459949338 [0,0,0,0,1,0|1,1,0]=3 413 B8R1.18 CC1=C(NC(=S)N1)C MCULE-2671807084 [0,0,0,0,1,0|1,0,0]=2 414 B8R1.18 CC1=C(OC(=C1)Br)Br MCULE-8877945879 [0,0,0,0,1,0|3,0,0]=4 415 B8R1.18 CC1=C(OC(=O)N1)C MCULE-9563427028 [0,0,0,0,1,0|2,0,0]=3 416 B8R1.18 CC1=C(OC(=O)O1)C MCULE-2205012091 [0,0,0,0,1,0|3,0,0]=4 417 B8R1.18 CC1=C(SC(=C1)Br)Br MCULE-5033111646 [0,0,0,0,1,0|3,0,0]=4 418 B8R1.18 CC1=C(SC(=C1)Br)C MCULE-3189312546 [0,0,0,0,1,0|3,0,0]=4 419 B8R1.18 CC1=C(SC(=C1)Br)N MCULE-6141225156 [0,0,0,0,1,0|3,0,0]=4 420 B8R1.18 CC1=C(SC(=C1)Cl)Br MCULE-9089345119 [0,0,0,0,1,0|3,0,0]=4 421 B8R1.18 CC1=C(SC(=C1)Cl)Cl MCULE-2742915588 [0,0,0,0,1,0|3,0,0]=4 422 B8R1.18 CC1=C(SC(=C1)I)Cl MCULE-7370492708 [0,0,0,0,1,0|3,0,0]=4 423 B8R1.18 CC1=C(SC(=O)N1)C MCULE-3147831549 [0,0,0,0,1,0|2,0,0]=3 424 B8R1.18 CC1=C(SC(=S)S1)C MCULE-8704362738 [0,0,0,0,1,0|3,0,0]=4 425 B8R1.18 CC1=CC(=C(N1)C)Br MCULE-6941290548 [0,0,0,0,1,0|2,0,0]=3 426 B8R1.18 CC1=CC(=C(O1)C)C MCULE-4079062433 [0,0,0,0,1,0|3,0,0]=4 427 B8R1.18 CC1=CC(=C(O1)C)N MCULE-1778849195 [0,0,0,0,1,0|3,0,0]=4 428 B8R1.18 CC1=CC(=C(O1)C)S MCULE-9143219265 [0,0,0,0,1,0|2,1,0]=4 429 B8R1.18 CC1=CC(=C(S1)Br)C MCULE-6382980397 [0,0,0,0,1,0|3,0,0]=4 430 B8R1.18 CC1=CC(=C(S1)C)Br MCULE-8084712017 [0,0,0,0,1,0|3,0,0]=4 431 B8R1.18 CC1=CC(=C(S1)C)C MCULE-5897025132 [0,0,0,0,1,0|3,0,0]=4 432 B8R1.18 CC1=CC(=C(S1)C)I MCULE-2360641619 [0,0,0,0,1,0|3,0,0]=4 433 B8R1.18 CC1=CC(=C(S1)C)N MCULE-1900772181 [0,0,0,0,1,0|3,0,0]=4 434 B8R1.18 CC1=CC(=C(S1)C)N MCULE-7331939624 [0,0,0,0,1,0|3,0,0]=4 435 B8R1.18 CC1=CC(=O)C(O1)C MCULE-7165152063 [0,0,0,0,1,0|2,0,1]=4 436 B8R1.18 CC1=CC(=O)CC1C MCULE-9587444246 [0,0,0,0,1,0|2,0,1]=4 437 B8R1.18 CC1=CC(=O)N(N1)C MCULE-5732152928 [0,0,0,0,1,0|2,0,0]=3 438 B8R1.18 CC1=CC(=O)NC1=O MCULE-3109096484 [0,0,0,0,1,0|0,1,0]=2 439 B8R1.18 CC1=CC(=O)NN1C MCULE-4105771613 [0,0,0,0,1,0|2,0,0]=3 440 B8R1.18 CC1=CC(=O)NN1C MCULE-5102421138 [0,0,0,0,1,0|2,0,0]=3 441 B8R1.18 CC1=CC(=O)OC1=O MCULE-1735822163 [0,0,0,0,1,0|1,1,0]=3 442 B8R1.18 CC1=CC(=O)OC1O MCULE-2111708862 [0,0,0,0,1,0|1,1,1]=4 443 B8R1.18 CC1=CC(=O)O[C@@H]1O MCULE-3894053073 [0,0,0,0,1,0|1,1,1]=4 444 B8R1.18 CC1=CN(C(=O)N1)C MCULE-6864157223 [0,0,0,0,1,0|2,1,0]=4 445 B8R1.18 CC1=C[C@H](NC1=O)O MCULE-7726239614 [0,0,0,0,1,0|0,1,2]=4 446 B8R1.18 CC1=NC(=C(N1)Br)Br MCULE-9971044387 [0,0,0,0,1,0|3,0,0]=4 447 B8R1.18 CC1=NC(=C(N1)C)Br MCULE-5055640897 [0,0,0,0,1,0|2,0,1]=4 448 B8R1.18 CC1=NC(=C(N1)C)C MCULE-4443527517 [0,0,0,0,1,0|2,0,1]=4 449 B8R1.18 CC1=NC(=C(N1)C)C MCULE-9619537471 [0,0,0,0,1,0|2,0,1]=4 450 B8R1.18 CC1=NC(=C(N1)Cl)Cl MCULE-1470937919 [0,0,0,0,1,0|3,0,0]=4 451 B8R1.18 CC1=NC(=C(N1)Cl)N MCULE-5940297748 [0,0,0,0,1,0|3,0,0]=4 452 B8R1.18 CC1=NC(=C(N1)Cl)N MCULE-7482197715 [0,0,0,0,1,0|3,0,0]=4 453 B8R1.18 CC1=NC(=C(N1)I)C MCULE-3278705123 [0,0,0,0,1,0|2,0,1]=4 454 B8R1.18 CC1=NC(=C(N1)I)I MCULE-5517130220 [0,0,0,0,1,0|3,0,0]=4 455 B8R1.18 CC1=NN(C(=S)N1)C MCULE-2121193226 [0,0,0,0,1,0|3,0,0]=4 456 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,0,0,0,1,0|0,1,2]=4 457 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [0,0,0,0,1,0|1,1,1]=4 458 B8R1.18 CC1NC(=O)NC1=O MCULE-4619149186 [0,0,0,0,1,0|0,1,1]=3 459 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [0,0,0,0,1,0|1,1,1]=4 460 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [0,0,0,0,1,0|1,1,1]=4 461 B8R1.18 CC1NC(=S)NC1=O MCULE-8518769044 [0,0,0,0,1,0|0,0,1]=2 462 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,0,0,0,1,0|1,1,1]=4 463 B8R1.18 CC1SC(=O)NC1=O MCULE-9249450232 [0,0,0,0,1,0|1,1,1]=4 464 B8R1.18 CN1CC(=O)NC1=N MCULE-7608108871 [0,0,0,0,1,0|2,0,1]=4 465 B8R1.18 CN1CC(=O)NC1=N MCULE-8832153777 [0,0,0,0,1,0|2,0,1]=4 466 B8R1.18 CN1CC(=O)NC1=O MCULE-6246850639 [0,0,0,0,1,0|1,1,1]=4 467 B8R1.18 CN1CC(=O)NC1=S MCULE-6474760923 [0,0,0,0,1,0|1,0,1]=3 468 B8R1.18 CN1N=C(NC1=O)Cl MCULE-4149690737 [0,0,0,0,1,0|2,0,1]=4 469 B8R1.18 CN1NC(=CC1=O)N MCULE-9402016986 [0,0,0,0,1,0|3,0,0]=4 470 B8R1.18 CN1NC(=N)CC1=O MCULE-1189353766 [0,0,0,0,1,0|3,0,0]=4 471 B8R1.18 CN1NC(=O)C=C1N MCULE-9124998543 [0,0,0,0,1,0|3,0,0]=4 472 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,0,0,0,1,0|0,1,2]=4 473 B8R1.18 C[C@@H]1NC(=O)NC1=O MCULE-1126054848 [0,0,0,0,1,0|0,1,1]=3 474 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [0,0,0,0,1,0|1,1,1]=4 475 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [0,0,0,0,1,0|1,1,1]=4 476 B8R1.18 C[C@H]1NC(=O)NC1=O MCULE-5443325319 [0,0,0,0,1,0|0,1,1]=3 477 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [0,0,0,0,1,0|1,1,1]=4 478 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [0,0,0,0,1,0|1,1,1]=4 479 B8R1.18 O=C1C=C(C(=O)N1)Br MCULE-6173415556 [0,0,0,0,1,0|1,1,0]=3 480 B8R1.18 O=C1C=C(C(=O)O1)Br MCULE-2984870530 [0,0,0,0,1,0|2,1,0]=4 481 B8R1.18 O=C1C=C(C(N1)O)Br MCULE-4783191833 [0,0,0,0,1,0|1,1,1]=4 482 B8R1.18 O=C1N=C(NC1=O)S MCULE-9704398967 [0,0,0,0,1,0|1,0,2]=4 483 B8R1.18 O=C1NC(=O)C(=O)N1 MCULE-1683872231 [0,0,0,0,1,0|1,1,0]=3 484 B8R1.18 O=C1NC(=O)C(N1)Br MCULE-9177153028 [0,0,0,0,1,0|1,1,1]=4 485 B10R1.330 O=C1CNC(=O)NC(=O)C1 MCULE-7213965794 [0,0,0,0,0,1|1,1,1]=4 486 B7R0.2 C=CC(=O)C=C(C)C MCULE-3761351531 [1,0,1,0,0,0|2,0,0]=4 487 B7R0.2 C=CC(=O)NC(=O)N MCULE-8826369233 [1,0,1,0,0,0|0,1,0]=3 488 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [1,0,1,0,0,0|1,1,0]=4 489 B7R0.2 CCC(=O)NC(=S)N MCULE-7487842736 [1,0,1,0,0,0|0,0,1]=3 490 B7R0.2 CNC(=CC(=O)C)C MCULE-1943688292 [1,0,1,0,0,0|1,0,1]=4 491 B7R0.2 CNC(=O)CC(=S)N MCULE-1637389152 [1,0,1,0,0,0|2,0,0]=4 492 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [1,0,1,0,0,0|0,1,1]=4 493 B7R0.2 CNC(=O)NC(=O)N MCULE-8107942434 [1,0,1,0,0,0|1,1,0]=4 494 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [1,0,1,0,0,0|1,0,1]=4 495 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [1,0,1,0,0,0|1,0,1]=4 496 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [1,0,1,0,0,0|1,0,1]=4 497 B7R0.2 COC(=O)CC(=S)N MCULE-3325362226 [1,0,1,0,0,0|2,0,0]=4 498 B7R0.4 C=CC=NNC(=S)N MCULE-6696134423 [1,0,1,0,0,0|1,0,1]=4 499 B7R0.4 CCC=NNC(=S)N MCULE-6637349631 [1,0,1,0,0,0|1,0,1]=4 500 B7R0.7 C/C=C/C(=O)N=C=S MCULE-1051826106 [1,0,1,0,0,0|0,0,2]=4 501 B7R0.7 C=COC(=O)/C=C/C MCULE-3646996165 [1,0,1,0,0,0|2,0,0]=4 502 B7R0.7 C=COC(=O)C=CC MCULE-7917602280 [1,0,1,0,0,0|2,0,0]=4 503 B7R0.7 CC=CC(=O)N=C=S MCULE-4538158885 [1,0,1,0,0,0|0,0,2]=4 504 B7R0.7 O=CNC(=O)NC=O MCULE-8913644353 [1,0,1,0,0,0|1,1,0]=4 505 B7R1.3 CC1=CC=CC=C1 MCULE-4817136027 [2,0,0,0,0,0|2,0,0]=4 506 B7R1.3 CC1=CC=NC=C1 MCULE-2244521363 [2,0,0,0,0,0|1,0,1]=4 507 B7R1.3 CC1=CC=NC=C1 MCULE-5336385904 [2,0,0,0,0,0|1,0,1]=4 508 B7R1.3 CC1=CC=NC=N1 MCULE-7063100764 [2,0,0,0,0,0|0,0,2]=4 509 B7R1.3 CC1=NC=CC=C1 MCULE-3857746542 [2,0,0,0,0,0|1,0,1]=4 510 B7R1.3 O=C1C=CC=CO1 MCULE-1962369480 [2,0,0,0,0,0|2,0,0]=4 511 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [2,0,0,0,0,0|1,0,1]=4 512 B7R1.3 O=C1C=COC=C1 MCULE-4737810636 [2,0,0,0,0,0|2,0,0]=4 513 B7R1.3 O=C1C=COCN1 MCULE-7471476237 [2,0,0,0,0,0|1,0,1]=4 514 B7R1.3 O=C1C=NC=CN1 MCULE-1637832118 [2,0,0,0,0,0|2,0,0]=4 515 B7R1.3 O=C1N=CC=CN1 MCULE-7966583838 [2,0,0,0,0,0|0,1,1]=4 516 B7R1.3 S=C1C=CNC=N1 MCULE-9568191260 [2,0,0,0,0,0|0,1,1]=4 517 B7R1.3 S=C1N=CC=CN1 MCULE-4888458372 [2,0,0,0,0,0|0,0,1]=3 518 B9R0.34 CCOC(=O)NC(=S)NC MCULE-6847356801 [0,1,1,0,0,0|1,0,1]=4 519 B9R0.34 CCOC(=O)NC(=S)NN MCULE-2201550621 [0,1,1,0,0,0|1,0,1]=4 520 B9R0.53 CC(=CC(=O)[O-])NC(=O)N MCULE-1665858457 [0,1,1,0,0,0|0,1,0]=3 521 B9R0.53 CC(=CC(=O)[O-])NC(=O)N MCULE-9752039511 [0,1,1,0,0,0|0,1,0]=3 522 B9R0.53 CC(=O)NC(=O)NC(=O)C MCULE-1033848283 [0,1,1,0,0,0|0,1,1]=4 523 B9R1.2 C#CC1=CC(=O)NC=C1 MCULE-6010931422 [1,1,0,0,0,0|1,0,1]=4 524 B9R1.2 C#CC1=CC=CC(=O)N1 MCULE-2597053215 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.2 C#CC1=CC=CC(=O)N1 MCULE-2851617898 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.2 CC1=CC(=CC=C1)C=O MCULE-9886997059 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.2 CC1=CC(=NC=C1)C=O MCULE-4763832961 [1,1,0,0,0,0|1,0,1]=4 528 B9R1.2 CC1=CC=C/C(=N\N)/N1 MCULE-2841017416 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.2 CC1=CC=C/C(=N\N)/N1 MCULE-7352562667 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.2 CC1=CC=CC(=C1)[IH2]=O MCULE-3972071766 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.2 CC1=CC=CC(=C1)[IH2]=O MCULE-6404006838 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.2 CC1=NC=CC(=C1)C=O MCULE-2744373449 [1,1,0,0,0,0|1,0,1]=4 533 B9R1.2 CC1=NC=CC(=C1)C=O MCULE-4258015896 [1,1,0,0,0,0|1,0,1]=4 534 B9R1.2 CC1=NC=NC(=C1)C=O MCULE-8706478164 [1,1,0,0,0,0|0,0,2]=4 535 B9R1.2 CCC1=CC(=O)NC=C1 MCULE-5087892769 [1,1,0,0,0,0|1,0,0]=3 536 B9R1.2 CCC1=CC(=O)NN=C1 MCULE-9826055890 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.2 CNC1=CC(=O)NC=N1 MCULE-6798868094 [1,1,0,0,0,0|0,0,1]=3 538 B9R1.2 CNC1=CC(=O)NN=C1 MCULE-5167454981 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.2 CNC1=CC(=O)NN=C1 MCULE-6436720453 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.2 CNC1=NC(=O)NC=C1 MCULE-3945208648 [1,1,0,0,0,0|0,1,1]=4 541 B9R1.2 COC1=CC(=O)NN=C1 MCULE-9208622847 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.2 COC1=NC(=O)C=CN1 MCULE-4176859501 [1,1,0,0,0,0|0,1,1]=4 543 B9R1.2 CSC1=NC(=O)NC=C1 MCULE-1363527504 [1,1,0,0,0,0|0,1,1]=4 544 B9R1.2 CSC1=NC=CC(=O)N1 MCULE-9680690573 [1,1,0,0,0,0|0,0,2]=4 545 B9R1.2 N#CC1=CC=CC(=O)N1 MCULE-6957227798 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.2 NCC1=CC(=O)NC=C1 MCULE-1956502849 [1,1,0,0,0,0|1,0,0]=3 547 B9R1.2 NCC1=CC(=O)NC=C1 MCULE-5081851358 [1,1,0,0,0,0|1,0,0]=3 548 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-1386831282 [1,1,0,0,0,0|1,1,0]=4 549 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-3025859735 [1,1,0,0,0,0|1,1,0]=4 550 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-8335536241 [1,1,0,0,0,0|1,1,0]=4 551 B9R1.2 NCC1=NC=CC(=O)N1 MCULE-2949674461 [1,1,0,0,0,0|1,0,1]=4 552 B9R1.2 NCC1=NC=CC(=O)N1 MCULE-5370705710 [1,1,0,0,0,0|1,0,1]=4 553 B9R1.2 NNC1=CC(=O)NC=C1 MCULE-2415812047 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.2 NNC1=NC=CC(=O)N1 MCULE-5975983635 [1,1,0,0,0,0|1,0,1]=4 555 B9R1.2 O=C1C=C(C=CN1)CCl MCULE-8248663590 [1,1,0,0,0,0|1,0,0]=3 556 B9R1.2 O=C1C=C(C=CN1)CO MCULE-2738457100 [1,1,0,0,0,0|1,0,0]=3 557 B9R1.2 O=C1C=C(N=CN1)CO MCULE-7770481872 [1,1,0,0,0,0|0,0,1]=3 558 B9R1.2 O=C1C=C(NC=N1)CCl MCULE-4132248602 [1,1,0,0,0,0|0,0,1]=3 559 B9R1.2 O=C1C=CN=C(N1)CCl MCULE-3488826665 [1,1,0,0,0,0|1,0,1]=4 560 B9R1.2 O=CC1=CC(=O)NC=C1 MCULE-5001480578 [1,1,0,0,0,0|1,0,1]=4 561 B9R1.2 O=CC1=CC=CC(=O)N1 MCULE-3898981854 [1,1,0,0,0,0|1,1,0]=4 562 B9R1.3 CC1=C(C(=O)C=CN1)C MCULE-5006486359 [1,1,0,0,0,0|1,0,0]=3 563 B9R1.3 CC1=C(C(=O)C=CN1)O MCULE-4746579757 [1,1,0,0,0,0|1,0,0]=3 564 B9R1.3 CC1=C(C(=O)C=CO1)O MCULE-2376032845 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.3 CC1=C(C(=O)N=CN1)I MCULE-5309428682 [1,1,0,0,0,0|0,0,1]=3 566 B9R1.3 CC1=C(C(=O)N=CN1)N MCULE-4173319628 [1,1,0,0,0,0|0,0,1]=3 567 B9R1.3 CC1=C(C(=O)NC=N1)C MCULE-9618860141 [1,1,0,0,0,0|0,0,1]=3 568 B9R1.3 CC1=C(C(=O)NN=C1)C MCULE-8569659854 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.3 CC1=C(C=CNC1=O)Br MCULE-3583219107 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.3 CC1=C(C=CNC1=O)O MCULE-7417449946 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.3 CC1=C(N=CNC1=O)O MCULE-7001719054 [1,1,0,0,0,0|1,0,1]=4 572 B9R1.3 CC1=C(NC=NC1=O)N MCULE-6689099936 [1,1,0,0,0,0|1,0,1]=4 573 B9R1.3 CN1C(=O)C=CC=C1Br MCULE-9204623492 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.3 CN1C(=O)C=CC=C1Cl MCULE-9231681198 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.3 CN1C(=O)C=CC=C1N MCULE-2055741339 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.3 CN1C(=O)C=CC=C1N MCULE-8809604678 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.3 CN1C(=O)C=CN=C1N MCULE-3426992585 [1,1,0,0,0,0|1,0,1]=4 578 B9R1.3 CN1C(=O)C=CNC1=O MCULE-5392412214 [1,1,0,0,0,0|0,1,0]=3 579 B9R1.3 CN1C(=O)C=CNC1=S MCULE-1210464407 [1,1,0,0,0,0|0,0,0]=2 580 B9R1.3 CN1C(=O)C=NNC1=O MCULE-6864350387 [1,1,0,0,0,0|1,1,0]=4 581 B9R1.3 CN1C=CNC(=O)C1=O MCULE-8825888617 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.3 NC1=C(C(=O)N=CN1)I MCULE-7919906444 [1,1,0,0,0,0|1,0,1]=4 583 B9R1.3 NC1=C(C(=O)NC=C1)I MCULE-3695102386 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.3 NC1=C(C(=O)NC=C1)N MCULE-5013092941 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.3 NC1=C(NC=NC1=O)Cl MCULE-5234884240 [1,1,0,0,0,0|1,0,1]=4 586 B9R1.3 NN1C(=O)C=NNC1=O MCULE-5939036900 [1,1,0,0,0,0|1,1,0]=4 587 B9R1.3 NN1C(=O)C=NNC1=S MCULE-2713167949 [1,1,0,0,0,0|1,0,0]=3 588 B9R1.3 O=C1N=CNC(=C1Cl)O MCULE-9849652466 [1,1,0,0,0,0|1,0,1]=4 589 B9R1.3 O=C1NC=CC(=C1Br)F MCULE-4137751133 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.3 O=C1NC=CC(=C1Br)O MCULE-3131067325 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.3 O=C1NC=CC(=C1Cl)O MCULE-5493350533 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.3 O=C1NC=CC(=C1F)I MCULE-5070253573 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.3 O=C1NC=NC(=C1Br)Cl MCULE-8110093089 [1,1,0,0,0,0|1,0,1]=4 594 B9R1.3 O=C1NC=NC(=C1Br)O MCULE-5733109066 [1,1,0,0,0,0|1,0,1]=4 595 B9R1.3 O=C1NC=NC(=C1Cl)Cl MCULE-3062125086 [1,1,0,0,0,0|1,0,1]=4 596 B9R1.3 O=C1NC=NC(=C1I)O MCULE-8276971392 [1,1,0,0,0,0|1,0,1]=4 597 B9R1.69 CC1=C(C=CC(=O)N1)Br MCULE-4521117941 [1,1,0,0,0,0|1,1,0]=4 598 B9R1.69 CC1=C(C=CC(=O)N1)F MCULE-7194077740 [1,1,0,0,0,0|1,1,0]=4 599 B9R1.69 CC1=C(C=CC(=O)N1)I MCULE-5617997142 [1,1,0,0,0,0|1,1,0]=4 600 B9R1.69 CC1=C(C=NC(=O)N1)Br MCULE-4433615327 [1,1,0,0,0,0|0,1,1]=4 601 B9R1.69 CC1=C(C=NC(=O)N1)Br MCULE-9820279136 [1,1,0,0,0,0|0,1,1]=4 602 B9R1.69 CC1=C(NC(=O)C=C1)C MCULE-4420397888 [1,1,0,0,0,0|1,1,0]=4 603 B9R1.69 CC1=C(NC(=S)SC1)C MCULE-8435974628 [1,1,0,0,0,0|1,0,1]=4 604 B9R1.69 CC1=CC(=O)C(=CN1)O MCULE-1538839877 [1,1,0,0,0,0|1,0,0]=3 605 B9R1.69 CC1=CC(=O)C(=CO1)O MCULE-1008730092 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.69 CC1=CC(=O)C=CC1=O MCULE-9650878933 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.69 CC1=CC(=O)NC=C1Br MCULE-8891123753 [1,1,0,0,0,0|1,0,0]=3 608 B9R1.69 CC1=CC(=O)NN=C1Cl MCULE-5144372564 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.69 CC1=CC(=O)NNC1=O MCULE-6634066970 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.69 CC1=CC(=S)N(C=C1)O MCULE-8899565687 [1,1,0,0,0,0|1,0,0]=3 611 B9R1.69 CC1=CC=C(C(=O)N1)Cl MCULE-5441621395 [1,1,0,0,0,0|1,1,0]=4 612 B9R1.69 CC1=CC=C(C(=O)N1)N MCULE-6572218746 [1,1,0,0,0,0|1,1,0]=4 613 B9R1.69 CC1=CC=C(NC1=O)Br MCULE-2417679757 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.69 CC1=CC=C(NC1=O)Cl MCULE-5412966214 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.69 CC1=CNC(=NC1=O)C MCULE-3546851335 [1,1,0,0,0,0|1,0,1]=4 616 B9R1.69 CC1=CNC(=O)C=C1C MCULE-7565124087 [1,1,0,0,0,0|1,0,0]=3 617 B9R1.69 CC1=CNC(=O)C=C1I MCULE-9234300230 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.69 CC1=CNC(=O)NC1=O MCULE-6356243926 [1,1,0,0,0,0|0,1,0]=3 619 B9R1.69 CC1=CNC(=O)NC1=S MCULE-2390616666 [1,1,0,0,0,0|0,2,0]=4 620 B9R1.69 CC1=CNC(=S)NC1=O MCULE-7685911178 [1,1,0,0,0,0|0,0,0]=2 621 B9R1.69 CC1=NC=C(C(=O)N1)F MCULE-6156802397 [1,1,0,0,0,0|1,0,1]=4 622 B9R1.69 CC1=NC=C(C(=O)N1)I MCULE-9280509199 [1,1,0,0,0,0|1,0,1]=4 623 B9R1.69 CC1=NNC(=O)NC1=O MCULE-1502977032 [1,1,0,0,0,0|1,1,0]=4 624 B9R1.69 CC1=NNC(=O)NC1=O MCULE-1807973782 [1,1,0,0,0,0|1,1,0]=4 625 B9R1.69 CC1=NNC(=S)NC1=S MCULE-4576414863 [1,1,0,0,0,0|1,1,0]=4 626 B9R1.69 CC1NNC(=S)NC1=O MCULE-1126162722 [1,1,0,0,0,0|1,0,1]=4 627 B9R1.69 CN1C=CC(=CC1=O)Br MCULE-7580325156 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.69 CN1C=CC(=CC1=O)I MCULE-5936034341 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.69 CN1C=CC(=CC1=O)N MCULE-2026478732 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.69 CN1C=CC(=CC1=O)N MCULE-9701068288 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.69 CN1C=CC(=CC1=O)O MCULE-8018311546 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.69 CN1C=CC(=O)NC1=O MCULE-4954410074 [1,1,0,0,0,0|0,1,0]=3 633 B9R1.69 CN1C=CC(=O)NC1=S MCULE-6286998648 [1,1,0,0,0,0|0,0,0]=2 634 B9R1.69 CN1C=NC(=CC1=O)Br MCULE-2859951713 [1,1,0,0,0,0|1,0,1]=4 635 B9R1.69 CN1C=NC(=CC1=O)Cl MCULE-1425122742 [1,1,0,0,0,0|1,0,1]=4 636 B9R1.69 CN1C=NC(=CC1=O)N MCULE-7215741667 [1,1,0,0,0,0|1,0,1]=4 637 B9R1.69 NC1=C(NC(=O)C=C1)N MCULE-9610602391 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.69 NC1=CC(=O)C(=CN1)Cl MCULE-5330162128 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.69 NC1=CC=C(NC1=S)Cl MCULE-7529114591 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.69 NC1=CN=C(NC1=O)N MCULE-2464173889 [1,1,0,0,0,0|1,0,1]=4 641 B9R1.69 NC1=CNC(=O)NC1=O MCULE-8766220931 [1,1,0,0,0,0|0,1,0]=3 642 B9R1.69 NC1=NC(=O)C(=CN1)Cl MCULE-7454708722 [1,1,0,0,0,0|1,0,1]=4 643 B9R1.69 NC1=NC(=O)C(=CN1)F MCULE-9299173255 [1,1,0,0,0,0|1,0,1]=4 644 B9R1.69 NC1=NC(=O)C(=CN1)I MCULE-4150780086 [1,1,0,0,0,0|1,0,1]=4 645 B9R1.69 NC1=NNC(=O)NC1=O MCULE-3067333649 [1,1,0,0,0,0|1,1,0]=4 646 B9R1.69 NN1C=CC(=O)NC1=O MCULE-6452806318 [1,1,0,0,0,0|0,1,0]=3 647 B9R1.69 O=C1C=C(C(=CN1)Br)Br MCULE-7608477571 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.69 O=C1C=C(C(=CN1)Br)Cl MCULE-9807316455 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.69 O=C1C=C(C(=CN1)Br)F MCULE-7030715609 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.69 O=C1C=C(C(=CN1)Cl)Br MCULE-2131702864 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.69 O=C1C=C(C(=CN1)Cl)Cl MCULE-6667509474 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.69 O=C1C=C(C(=CN1)Cl)I MCULE-6044450800 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.69 O=C1C=C(C(=CN1)Cl)O MCULE-3767139404 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.69 O=C1C=C(C(=CN1)F)O MCULE-2590440873 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.69 O=C1C=C(C(=CN1)I)Cl MCULE-2838518918 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.69 O=C1C=C(NC=C1Br)Cl MCULE-5060506861 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.69 O=C1C=CC(=C(N1)Br)Cl MCULE-2299972105 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.69 O=C1C=CC(=C(N1)Br)F MCULE-7102970752 [1,1,0,0,0,0|2,0,0]=4 659 B9R1.69 O=C1C=CC(=C(N1)Cl)Cl MCULE-1681345436 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.69 O=C1C=CC(=C(N1)I)Br MCULE-3011078994 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.69 O=C1NC(=CC=C1Cl)Br MCULE-7002386572 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.69 O=C1NC(=CC=C1Cl)Cl MCULE-9076841848 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.69 O=C1NC(=CC=C1I)Cl MCULE-6248898641 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.69 O=C1NC(=CC=C1O)Cl MCULE-7098135447 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.69 O=C1NC(=NC=C1Cl)Cl MCULE-6600443230 [1,1,0,0,0,0|1,0,1]=4 666 B9R1.69 O=C1NC(=NC=C1F)Cl MCULE-8340050328 [1,1,0,0,0,0|1,0,1]=4 667 B9R1.69 O=C1NC(=NC=C1I)Cl MCULE-3863853934 [1,1,0,0,0,0|1,0,1]=4 668 B9R1.69 O=C1NC(=S)N=CC1F MCULE-3256673014 [1,1,0,0,0,0|0,0,2]=4 669 B9R1.69 O=C1NC(=S)NC=C1F MCULE-1640996146 [1,1,0,0,0,0|0,0,0]=2 670 B9R1.69 O=C1NC(=S)NC=C1I MCULE-9040932930 [1,1,0,0,0,0|0,0,0]=2 671 B9R1.69 O=C1NC=C(C(=O)N1)Br MCULE-6639028202 [1,1,0,0,0,0|0,1,0]=3 672 B9R1.69 O=C1NC=C(C(=O)N1)Cl MCULE-3005578323 [1,1,0,0,0,0|0,1,0]=3 673 B9R1.69 O=C1NC=C(C(=O)N1)F MCULE-6338086431 [1,1,0,0,0,0|0,1,0]=3 674 B9R1.69 O=C1NC=C(C(=O)N1)I MCULE-9099154084 [1,1,0,0,0,0|0,1,0]=3 675 B9R1.69 O=C1NC=C(C(=S)N1)F MCULE-5051283182 [1,1,0,0,0,0|0,2,0]=4 676 B9R1.69 O=C1NCC(=O)C(=O)N1 MCULE-3608761998 [1,1,0,0,0,0|0,1,1]=4 677 B9R1.69 O=C1NN=C(C(=O)N1)Br MCULE-9793204387 [1,1,0,0,0,0|1,1,0]=4 678 B9R1.69 O=C1NN=C(C(=O)N1)F MCULE-5496474813 [1,1,0,0,0,0|1,1,0]=4 679 B9R1.22 CC1=CC(=C(N1)C)C#N MCULE-5893296959 [0,1,0,0,1,0|2,0,0]=4 680 B9R1.22 CC1=CC(=C(N1)C)C=O MCULE-8746528639 [0,1,0,0,1,0|1,0,0]=3 681 B9R1.22 CC1=CC(=C(N1)C)CN MCULE-3338941162 [0,1,0,0,1,0|2,0,0]=4 682 B9R1.22 CC1=CC(=C(N1)C=O)C MCULE-3691169080 [0,1,0,0,1,0|1,1,0]=4 683 B9R1.22 CC1=CC(=C(O1)C)C=O MCULE-1066502047 [0,1,0,0,1,0|2,0,0]=4 684 B9R1.22 CC1=CC(=C(S1)C)C=O MCULE-3847397675 [0,1,0,0,1,0|2,0,0]=4 685 B9R1.22 CC1=NC(=C(N1)C=O)C MCULE-7085447435 [0,1,0,0,1,0|1,0,1]=4 686 B9R1.22 CCC1=C(NC(=O)N1)C MCULE-1852773802 [0,1,0,0,1,0|1,1,0]=4 687 B9R1.22 CCC1=C(NC(=S)N1)C MCULE-6892324903 [0,1,0,0,1,0|1,0,0]=3 688 B9R1.22 CCC1NC(=O)NC1=O MCULE-7573161756 [0,1,0,0,1,0|0,1,1]=4 689 B9R1.22 COC1=CC(=O)OC1=O MCULE-3106776074 [0,1,0,0,1,0|1,1,0]=4 690 B9R1.22 NCC1NC(=O)NC1=O MCULE-3949033042 [0,1,0,0,1,0|0,1,1]=4 691 B9R1.22 O=C1C=C(C(=O)O1)CBr MCULE-4178564988 [0,1,0,0,1,0|1,1,0]=4 692 B9R1.22 O=C1NC(=O)/C(=C\Br)/N1 MCULE-7888734075 [0,1,0,0,1,0|0,1,1]=4 693 B9R1.22 O=C1NC(=O)C(=CBr)N1 MCULE-4118151888 [0,1,0,0,1,0|0,1,1]=4 694 B9R1.22 O=C1NC(=O)C(N1)CO MCULE-3745105690 [0,1,0,0,1,0|0,1,1]=4 695 B9R1.22 O=C1NC(=O)[C@@H](N1)CO MCULE-4356522352 [0,1,0,0,1,0|0,1,1]=4 696 B9R1.23 CC1=C(NC(=C1)C=O)C MCULE-6603102591 [0,1,0,0,1,0|1,0,0]=3 697 B9R1.23 CC1=C(NC(=N1)C=O)C MCULE-8604466575 [0,1,0,0,1,0|2,0,0]=4 698 B9R1.23 CC1=C(OC(=C1)C=O)C MCULE-1245783918 [0,1,0,0,1,0|2,0,0]=4 699 B9R1.23 CC1=C(SC(=C1)C=O)Br MCULE-8823683893 [0,1,0,0,1,0|2,0,0]=4 700 B9R1.23 CC1=C(SC(=C1)C=O)C MCULE-9358849275 [0,1,0,0,1,0|2,0,0]=4 701 B9R1.23 CC1=C(SC(=C1)C=O)Cl MCULE-2747523141 [0,1,0,0,1,0|2,0,0]=4 702 B9R1.23 CC1=C/C(=N\O)/NC1=O MCULE-4857085921 [0,1,0,0,1,0|0,1,1]=4 703 B9R1.23 O=CC1=CC(=C(N1)Br)Br MCULE-8863769532 [0,1,0,0,1,0|2,0,0]=4 704 B9R1.37 CC1=C(C(=C(N1)C)C)C MCULE-1579097662 [0,1,0,0,1,0|2,0,0]=4 705 B9R1.37 CC1=C(C(=O)OC1=O)Br MCULE-4236448899 [0,1,0,0,1,0|1,1,0]=4 706 B9R1.37 CC1=C(C(=O)OC1=O)C MCULE-9372782914 [0,1,0,0,1,0|1,1,0]=4 707 B9R1.37 CC1=C(N(C(=O)N1)C)C MCULE-4200291906 [0,1,0,0,1,0|1,1,0]=4 708 B9R1.37 CC1=C(N(C(=O)N1)C)C MCULE-6554777788 [0,1,0,0,1,0|1,1,0]=4 709 B9R1.37 CC1=C(N(C(=S)S1)C)C MCULE-1455325681 [0,1,0,0,1,0|2,0,0]=4 710 B9R1.37 CC1=CC(=O)N(C1=O)N MCULE-1955900673 [0,1,0,0,1,0|0,1,0]=3 711 B9R1.37 CC1=CC(=O)N(C1=O)N MCULE-3848588925 [0,1,0,0,1,0|0,1,0]=3 712 B9R1.37 CC1C(=O)NC(=O)N1C MCULE-8491807319 [0,1,0,0,1,0|0,1,1]=4 713 B9R1.37 CC1NC(=O)N(C1=O)C MCULE-9574379568 [0,1,0,0,1,0|0,1,1]=4 714 B9R1.37 CC1SC(=S)N(C1=O)N MCULE-9909170601 [0,1,0,0,1,0|1,0,1]=4 715 B9R1.37 CN1C(=O)C=C(C1=O)Br MCULE-6711543006 [0,1,0,0,1,0|1,1,0]=4 716 B9R1.37 CN1C(=O)C=C(C1=O)N MCULE-4181324260 [0,1,0,0,1,0|1,1,0]=4 717 B9R1.37 CN1C(=O)NC(=O)C1=O MCULE-3910177119 [0,1,0,0,1,0|1,1,0]=4 718 B9R1.37 CN1C=C(N(C1=S)C)N MCULE-4282160351 [0,1,0,0,1,0|2,0,0]=4 719 B9R1.37 CN1CC(=O)N(C1=S)C MCULE-4702271205 [0,1,0,0,1,0|1,0,1]=4 720 B9R1.37 NN1C(=O)NC(=O)C1=O MCULE-8303778577 [0,1,0,0,1,0|1,1,0]=4 721 B9R1.37 O=C1NC(=O)C(=C1Br)Br MCULE-9909317409 [0,1,0,0,1,0|1,1,0]=4 722 B9R1.37 O=C1NC(=O)C(=C1Cl)Cl MCULE-3248050786 [0,1,0,0,1,0|1,1,0]=4 723 B9R1.38 CC1(NC(=O)NC1=O)C MCULE-9870409973 [0,1,0,0,1,0|0,1,1]=4 724 B9R1.38 CC1(NC(=S)NC1=O)C MCULE-8133524359 [0,1,0,0,1,0|0,0,1]=3 725 B9R1.38 CC1=CS(=O)(=O)C(=O)N1 MCULE-3125942646 [0,1,0,0,1,0|1,1,0]=4 726 B11R1.8 CC1=C(NC(=O)NC1=O)CCl MCULE-8748721239 [0,2,0,0,0,0|0,1,0]=3 727 B11R1.8 CC1=C(NC(=O)NC1=O)CO MCULE-2105308817 [0,2,0,0,0,0|0,1,0]=3 728 B11R1.8 CC1=CC(=O)N(C(=N1)NN)C MCULE-4280043339 [0,2,0,0,0,0|1,0,1]=4 729 B11R1.8 CC1=CC(=O)N(C(=N1)NN)N MCULE-4471905391 [0,2,0,0,0,0|1,0,1]=4 730 B11R1.8 CC1=CC(=O)N(C(=N1)NN)N MCULE-7749615319 [0,2,0,0,0,0|1,0,1]=4 731 B11R1.8 CCC1=CC(=O)NC(=O)N1C MCULE-8533980518 [0,2,0,0,0,0|0,1,0]=3 732 B11R1.8 CNC1=CC(=O)NC(=O)N1C MCULE-4926647996 [0,2,0,0,0,0|0,1,0]=3 733 B11R1.8 COC1=CC(=O)NC(=O)N1C MCULE-8288899269 [0,2,0,0,0,0|0,1,0]=3 734 B11R1.8 CSC1=NC(=CC(=O)N1C)C MCULE-4284714369 [0,2,0,0,0,0|0,0,2]=4 735 B11R1.8 NC1=C(NC(=O)NC1=O)N=O MCULE-6121726165 [0,2,0,0,0,0|1,1,0]=4 736 B11R1.8 O=C1NC(=O)C(=C(N1)CCl)Cl MCULE-2767621981 [0,2,0,0,0,0|0,1,0]=3 737 B11R1.8 O=C1NC(=O)C(=C(N1)CO)O MCULE-8946189974 [0,2,0,0,0,0|0,1,0]=3 738 B11R1.9 CCC1=CC(=O)NC(=N1)NN MCULE-5879536329 [0,2,0,0,0,0|1,0,1]=4 739 B11R1.9 CCC1=CC(=O)NC(=N1)SC MCULE-4995714701 [0,2,0,0,0,0|0,0,2]=4 740 B11R1.9 CSC1=NC(=CC(=O)N1)CCl MCULE-6291299658 [0,2,0,0,0,0|0,0,2]=4 741 B11R1.9 CSC1=NC(=O)C=C(N1)CN MCULE-1481459177 [0,2,0,0,0,0|0,0,2]=4 742 B11R1.9 CSC1=NC(=O)C=C(N1)CN MCULE-9600225006 [0,2,0,0,0,0|0,0,2]=4 743 B11R1.9 O=C1C=C(N=C(N1)CO)CCl MCULE-5143435700 [0,2,0,0,0,0|0,1,1]=4 744 B11R1.14 CC1=C(C(=O)NC(=N1)NN)C MCULE-5849123625 [0,2,0,0,0,0|1,0,1]=4 745 B11R1.14 CCC1=NC(=C(C(=O)N1)Cl)C MCULE-4997415241 [0,2,0,0,0,0|1,0,1]=4 746 B11R1.14 CN1C(=O)C=C(NC1=O)C#N MCULE-9282154193 [0,2,0,0,0,0|0,1,1]=4 747 B11R1.14 CN1C(=O)C=C(NC1=O)NN MCULE-7719316824 [0,2,0,0,0,0|1,1,0]=4 748 B11R1.14 CNC1=CC(=O)N(C(=O)N1)C MCULE-6216441634 [0,2,0,0,0,0|0,1,0]=3 749 B11R1.14 COC1=NC(=O)C(=C(N1)C)F MCULE-2750679120 [0,2,0,0,0,0|0,1,1]=4 750 B11R1.14 CSC1=NC(=C(C(=O)N1)Br)C MCULE-2549572602 [0,2,0,0,0,0|0,0,2]=4 751 B11R1.14 CSC1=NC(=C(C(=O)N1)C)C MCULE-1036220144 [0,2,0,0,0,0|0,0,2]=4 752 B11R1.14 CSC1=NC(=C(C(=O)N1)I)C MCULE-8355842190 [0,2,0,0,0,0|0,0,2]=4 753 B11R1.34 C=CCC1=CC(=O)NC(=O)N1 MCULE-1243468197 [0,2,0,0,0,0|0,1,0]=3 754 B11R1.34 CC#CC1=CC(=O)NC(=O)N1 MCULE-7820995699 [0,2,0,0,0,0|0,1,0]=3 755 B11R1.34 CCCC1=CC(=O)NC(=S)N1 MCULE-9403710688 [0,2,0,0,0,0|0,0,0]=2 756 B11R1.34 CCNC1=CC(=O)NC(=N1)N MCULE-3353962928 [0,2,0,0,0,0|1,0,1]=4 757 B11R1.34 CCOC1=CC(=O)NC(=O)N1 MCULE-9489557815 [0,2,0,0,0,0|0,1,0]=3 758 B11R1.34 CCOC1=NC(=CC(=O)N1)C MCULE-3216215354 [0,2,0,0,0,0|0,1,1]=4 759 B11R1.34 COCC1=CC(=O)NC(=N1)N MCULE-1934196085 [0,2,0,0,0,0|1,0,1]=4 760 B11R1.34 COCC1=CC(=O)NC(=N1)O MCULE-8896748409 [0,2,0,0,0,0|0,1,1]=4 761 B11R1.34 CSCC1=CC(=O)NC(=O)N1 MCULE-7457913087 [0,2,0,0,0,0|0,1,0]=3 762 B11R1.74 CC(C)C1=CC(=O)NC(=N1)N MCULE-3506306259 [0,2,0,0,0,0|1,0,1]=4 763 B11R1.74 CC(C)C1=CC(=O)NC(=O)N1 MCULE-6397298934 [0,2,0,0,0,0|0,1,0]=3 764 B11R1.74 CC(C)C1=CC(=O)NC(=S)N1 MCULE-1092009383 [0,2,0,0,0,0|0,0,0]=2 765 B11R1.74 CC1=CC(=CC(=O)N1)C(=O)O MCULE-5062152880 [0,2,0,0,0,0|1,1,0]=4 766 B11R1.74 CC1=CC(=NC(=S)N1)C(C)C MCULE-7532483058 [0,2,0,0,0,0|1,0,1]=4 767 B11R1.74 CC1=CC(=O)C=C(N1)C(=O)O MCULE-5508133838 [0,2,0,0,0,0|1,1,0]=4 768 B11R1.74 CC1=CC(=O)NC(=C1)C(=O)O MCULE-8099474609 [0,2,0,0,0,0|1,1,0]=4 769 B11R1.74 CC1=CC(=O)NC(=N1)C(C)C MCULE-4922392122 [0,2,0,0,0,0|1,0,1]=4 770 B11R1.74 CC1=NC(=O)NC(=C1)C(=O)O MCULE-7921673628 [0,2,0,0,0,0|0,1,1]=4 771 B11R1.74 CN(C)C1=CC(=O)NC(=O)N1 MCULE-6182845897 [0,2,0,0,0,0|0,1,0]=3 772 B11R1.74 CN(C)C1=NC(=O)NC(=O)N1 MCULE-3781132538 [0,2,0,0,0,0|1,1,0]=4 773 B11R1.74 NC(=O)C1=CC(=O)NC(=O)N1 MCULE-6215871295 [0,2,0,0,0,0|0,1,1]=4 774 B11R1.74 O=C1C=C(NC(=O)N1)C(=O)O MCULE-1013719295 [0,2,0,0,0,0|0,1,1]=4 775 B11R1.74 O=C1C=C(NC(=O)N1)C(=O)O MCULE-1063581454 [0,2,0,0,0,0|0,1,1]=4 776 B11R1.74 O=C1C=C(NC(=O)N1)C(=O)O MCULE-4166125392 [0,2,0,0,0,0|0,1,1]=4 777 B11R1.74 O=C1C=C(NC(=O)N1)C(=O)O MCULE-5733155947 [0,2,0,0,0,0|0,1,1]=4 778 B11R1.74 O=C1C=C(NC(=O)N1)C(=O)O MCULE-8576554569 [0,2,0,0,0,0|0,1,1]=4 779 B11R1.74 O=C1C=C(NC(=S)N1)C(=O)O MCULE-6748638642 [0,2,0,0,0,0|0,0,1]=3 780 B11R1.74 O=C1C=C(NC(=[Se])N1)C(=O)O MCULE-7353883477 [0,2,0,0,0,0|0,1,1]=4 781 B11R1.32 CC1=C(C(=C(C(=O)N1)N)C)Br MCULE-5495812517 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.32 CC1=C(C(=O)N(C(=N1)Cl)C)Br MCULE-5620152665 [0,2,0,0,0,0|1,0,1]=4 783 B11R1.32 CC1=C(C(=O)N(C(=N1)N)C)C MCULE-2213306943 [0,2,0,0,0,0|1,0,1]=4 784 B11R1.32 CC1=C(C(=O)N(C(=N1)N)N)Br MCULE-2460922660 [0,2,0,0,0,0|1,0,1]=4 785 B11R1.32 CC1=C(N(C(=O)NC1=O)C)Br MCULE-6334969144 [0,2,0,0,0,0|1,1,0]=4 786 B11R1.32 CC1=C(N(C(=O)NC1=O)C)N MCULE-3130212976 [0,2,0,0,0,0|1,1,0]=4 787 B11R1.32 CC1=C(N(C(=O)NC1=O)C)N MCULE-7800528537 [0,2,0,0,0,0|1,1,0]=4 788 B11R1.32 CC1=CC(=O)N(C(=O)N1C)C MCULE-4714441014 [0,2,0,0,0,0|0,1,0]=3 789 B11R1.32 CN1C(=O)C=C(N(C1=O)C)Br MCULE-9516826642 [0,2,0,0,0,0|1,1,0]=4 790 B11R1.32 CN1C(=O)C=C(N(C1=O)C)Cl MCULE-3164311836 [0,2,0,0,0,0|1,1,0]=4 791 B11R1.32 CN1C(=O)C=C(N(C1=O)C)N MCULE-8108343390 [0,2,0,0,0,0|1,1,0]=4 792 B11R1.32 CN1C(=O)C=C(N(C1=O)C)O MCULE-5815758659 [0,2,0,0,0,0|1,1,0]=4 793 B11R1.32 CN1C(=O)C=C(N(C1=S)C)N MCULE-5211650442 [0,2,0,0,0,0|1,0,0]=3 794 B11R1.32 CN1C(=O)CC(=O)N(C1=S)C MCULE-1123438277 [0,2,0,0,0,0|1,0,1]=4 795 B11R1.32 CN1C(=O)NC(=C(C1=O)Cl)Cl MCULE-6608613468 [0,2,0,0,0,0|1,1,0]=4 796 B11R1.32 CN1C(=O)NC(=C(C1=O)N)N MCULE-6292306510 [0,2,0,0,0,0|1,1,0]=4 797 B11R1.32 CN1C(=O)NC(=O)C(=C1N)Br MCULE-9632547087 [0,2,0,0,0,0|1,1,0]=4 798 B11R1.32 CN1C(=O)NC(=O)C(=C1N)N MCULE-1843362847 [0,2,0,0,0,0|1,1,0]=4 799 B11R1.32 CN1C(=O)NC(=O)C(=C1[O-])[NH3+] MCULE-3669749545 [0,2,0,0,0,0|1,1,0]=4 800 B11R1.32 CN1C(=S)NC(=O)C(=C1N)N MCULE-9863179419 [0,2,0,0,0,0|1,0,0]=3 801 B11R1.325 CC1=CC(N(C(=S)N1)C)(C)C MCULE-6968267465 [0,2,0,0,0,0|1,0,1]=4 802 B11R1.464 CC1=C(C(=O)NC(=O)N1)C#N MCULE-7141137597 [0,2,0,0,0,0|0,1,0]=3 803 B11R1.464 CC1=C(C(=O)NC(=O)N1)C=O MCULE-8837004520 [0,2,0,0,0,0|0,1,0]=3 804 B11R1.464 CC1=C(C(=O)NC(=O)N1)CBr MCULE-8120864612 [0,2,0,0,0,0|0,1,0]=3 805 B11R1.464 CC1=C(C(=O)NC(=O)N1)CN MCULE-3036586197 [0,2,0,0,0,0|0,1,0]=3 806 B11R1.464 CC1=C(C(=O)NC(=O)N1)CN MCULE-9277898866 [0,2,0,0,0,0|0,1,0]=3 807 B11R1.464 CC1=C(C(=S)NC(=O)C1)C#N MCULE-9004957755 [0,2,0,0,0,0|1,0,1]=4 808 B11R1.464 CC1=CC(=C(C(=O)N1)C#N)C MCULE-3487985599 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.464 CC1=CC(=C(C(=O)N1)C=O)C MCULE-4645927700 [0,2,0,0,0,0|2,0,0]=4 810 B11R1.464 CC1=CC(=C(C(=O)N1)CN)C MCULE-1373808929 [0,2,0,0,0,0|2,0,0]=4 811 B11R1.464 CC1=CC(=C(C(=O)N1)CN)C MCULE-3681074903 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.464 CC1=CC(=C(C(=O)N1)CN)C MCULE-4643535724 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.464 CC1=CC(=O)C(=C(N1)S)C#N MCULE-8368371717 [0,2,0,0,0,0|1,0,1]=4 814 B11R1.464 CC1=CC(=O)NC(=C1C#N)C MCULE-1862319963 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.464 CC1=CC(=O)NC(=C1C#N)O MCULE-9658660165 [0,2,0,0,0,0|1,1,0]=4 816 B11R1.464 CC1=CC(=O)NC(=C1C#N)S MCULE-2143343397 [0,2,0,0,0,0|1,0,1]=4 817 B11R1.464 CC1=CC(=O)NC(=C1C#N)S MCULE-9559485899 [0,2,0,0,0,0|1,0,1]=4 818 B11R1.464 CC1=CC(=O)NC(=C1C#N)[S-] MCULE-7583834388 [0,2,0,0,0,0|1,0,1]=4 819 B11R1.464 CCC1=C(N=C(NC1=O)N)C MCULE-1764968764 [0,2,0,0,0,0|1,0,1]=4 820 B11R1.464 CCC1=C(N=C(NC1=O)S)C MCULE-3533847048 [0,2,0,0,0,0|0,0,2]=4 821 B11R1.464 CCC1=C(NC(=O)NC1=O)Cl MCULE-4326893586 [0,2,0,0,0,0|1,1,0]=4 822 B11R1.464 CCN1C(=O)C=C(NC1=O)Cl MCULE-2133837307 [0,2,0,0,0,0|1,1,0]=4 823 B11R1.464 CCN1C(=O)CC(=O)NC1=S MCULE-4994427435 [0,2,0,0,0,0|1,0,1]=4 824 B11R1.464 CCN1C(=O)NC(=O)C=C1N MCULE-1912257453 [0,2,0,0,0,0|1,1,0]=4 825 B11R1.464 CCN1C(=O)NC(=O)C=C1[O-] MCULE-6067127716 [0,2,0,0,0,0|1,1,0]=4 826 B11R1.464 CCN1C(=S)NC(=O)C=C1N MCULE-2245817039 [0,2,0,0,0,0|1,0,0]=3 827 B11R1.464 CON1C(=O)C=C(N=C1C)C MCULE-1143654475 [0,2,0,0,0,0|1,0,1]=4 828 B11R1.464 NC1=C(C(=O)NC(=O)N1)C=O MCULE-1496612859 [0,2,0,0,0,0|1,1,0]=4 829 B11R1.464 NC=C1C(=O)NC(=O)NC1=O MCULE-1330083153 [0,2,0,0,0,0|1,1,0]=4 830 B11R1.464 O=C1NC(=O)C(=NO)C(=O)N1 MCULE-7138709364 [0,2,0,0,0,0|1,1,0]=4 831 B11R1.464 O=C1NC(=S)NC(=O)C1=NO MCULE-4474864402 [0,2,0,0,0,0|1,0,0]=3 832 B11R1.553 CC1(C(=O)NC(=S)NC1=O)C MCULE-5694803091 [0,2,0,0,0,0|1,0,1]=4 833 B9R1.13 NC(=S)NC1=NNC=C1 MCULE-8427893759 [0,0,1,1,0,0|2,0,0]=4 834 B9R1.41 CC(=O)C1=C(NC=C1)C MCULE-8216611591 [0,0,1,1,0,0|2,0,0]=4 835 B9R1.41 CC(=O)N1CCNC1=S MCULE-6634615380 [0,0,1,1,0,0|0,0,2]=4 836 B9R1.41 CC1=C(C=CN1)C(=O)O MCULE-5422010043 [0,0,1,1,0,0|2,0,0]=4 837 B9R1.41 CC1=C(C=CO1)C(=O)N MCULE-7846664403 [0,0,1,1,0,0|2,0,0]=4 838 B9R1.41 CC1=C(C=CS1)C(=O)N MCULE-7443569195 [0,0,1,1,0,0|2,0,0]=4 839 B9R1.41 CC1=C(N=CN1)C(=O)O MCULE-8395032119 [0,0,1,1,0,0|2,0,0]=4 840 B9R1.41 CC1=C(N=CO1)C(=O)N MCULE-8013320994 [0,0,1,1,0,0|2,0,0]=4 841 B9R1.41 CC1=C(OC=C1)C(=O)N MCULE-5061413981 [0,0,1,1,0,0|1,1,0]=4 842 B9R1.41 CC1=C(OC=N1)C(=O)N MCULE-6355520023 [0,0,1,1,0,0|0,1,1]=4 843 B9R1.41 CC1=C(SC=C1)C(=O)N MCULE-7122841579 [0,0,1,1,0,0|1,0,1]=4 844 B9R1.41 CC1=C(SC=C1)C(=S)N MCULE-3573049135 [0,0,1,1,0,0|1,1,0]=4 845 B9R1.41 NC(=O)C1=C(NC=N1)I MCULE-9095770777 [0,0,1,1,0,0|2,0,0]=4 846 B7R0.5 CCOC(=O)C(=S)N MCULE-3285821799 [0,0,1,0,1,0|1,0,1]=4 847 B7R1.2 C=C1C=CC(=O)O1 MCULE-1046353319 [1,0,0,0,1,0|2,0,0]=4 848 B7R1.2 CC1=CC(=CO1)Br MCULE-1365881695 [1,0,0,0,1,0|2,0,0]=4 849 B7R1.2 CC1=CC(=CS1)Br MCULE-9701843608 [1,0,0,0,1,0|2,0,0]=4 850 B7R1.2 CC1=CC(=CS1)Cl MCULE-1661832667 [1,0,0,0,1,0|2,0,0]=4 851 B7R1.2 CC1=CC(=CS1)N MCULE-4677626148 [1,0,0,0,1,0|2,0,0]=4 852 B7R1.2 CC1=CC(=CS1)N MCULE-4954759044 [1,0,0,0,1,0|2,0,0]=4 853 B7R1.2 CC1=CC(=NN1)Br MCULE-1516612696 [1,0,0,0,1,0|1,0,1]=4 854 B7R1.2 CC1=CC(=NN1)C MCULE-4873265902 [1,0,0,0,1,0|1,0,1]=4 855 B7R1.2 CC1=CC(=NN1)C MCULE-8100496522 [1,0,0,0,1,0|1,0,1]=4 856 B7R1.2 CC1=CC(=NN1)F MCULE-1447632064 [1,0,0,0,1,0|1,0,1]=4 857 B7R1.2 CC1=CC(=NN1)F MCULE-6096639447 [1,0,0,0,1,0|1,0,1]=4 858 B7R1.2 CC1=CC(=NN1)I MCULE-9212614137 [1,0,0,0,1,0|1,0,1]=4 859 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [1,0,0,0,1,0|1,0,1]=4 860 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [1,0,0,0,1,0|1,0,1]=4 861 B7R1.2 CC1=CC(=O)N=N1 MCULE-8356895370 [1,0,0,0,1,0|0,0,2]=4 862 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [1,0,0,0,1,0|1,0,0]=3 863 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [1,0,0,0,1,0|1,0,1]=4 864 B7R1.2 CC1=CC=C(N1)C MCULE-2630115640 [1,0,0,0,1,0|1,0,0]=3 865 B7R1.2 CC1=CC=C(N1)Cl MCULE-6650692655 [1,0,0,0,1,0|1,0,0]=3 866 B7R1.2 CC1=CC=C(O1)Br MCULE-2815956180 [1,0,0,0,1,0|2,0,0]=4 867 B7R1.2 CC1=CC=C(O1)C MCULE-2776549830 [1,0,0,0,1,0|2,0,0]=4 868 B7R1.2 CC1=CC=C(O1)N MCULE-5583871788 [1,0,0,0,1,0|2,0,0]=4 869 B7R1.2 CC1=CC=C(S1)Br MCULE-9870970320 [1,0,0,0,1,0|2,0,0]=4 870 B7R1.2 CC1=CC=C(S1)C MCULE-6651491312 [1,0,0,0,1,0|2,0,0]=4 871 B7R1.2 CC1=CC=C(S1)C MCULE-7283016932 [1,0,0,0,1,0|2,0,0]=4 872 B7R1.2 CC1=CC=C(S1)Cl MCULE-9463412923 [1,0,0,0,1,0|2,0,0]=4 873 B7R1.2 CC1=CC=C(S1)I MCULE-3339364572 [1,0,0,0,1,0|2,0,0]=4 874 B7R1.2 CC1=CC=C(S1)N MCULE-1672887913 [1,0,0,0,1,0|2,0,0]=4 875 B7R1.2 CC1=CC=C(S1)N MCULE-4947745341 [1,0,0,0,1,0|2,0,0]=4 876 B7R1.2 CC1=CC=C(S1)O MCULE-7587913788 [1,0,0,0,1,0|1,1,0]=4 877 B7R1.2 CC1=CC=C(S1)S MCULE-9072205252 [1,0,0,0,1,0|1,0,1]=4 878 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [1,0,0,0,1,0|2,0,0]=4 879 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [1,0,0,0,1,0|2,0,0]=4 880 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [1,0,0,0,1,0|2,0,0]=4 881 B7R1.2 CC1=CN=C(N1)N MCULE-5849111364 [1,0,0,0,1,0|1,0,1]=4 882 B7R1.2 CC1=CN=C(N1)N MCULE-9885122590 [1,0,0,0,1,0|1,0,1]=4 883 B7R1.2 CC1=CNC(=C1)C MCULE-6480137920 [1,0,0,0,1,0|1,0,0]=3 884 B7R1.2 CC1=CNC(=N1)Br MCULE-2148866894 [1,0,0,0,1,0|1,0,1]=4 885 B7R1.2 CC1=CNC(=N1)C MCULE-1883967566 [1,0,0,0,1,0|1,0,1]=4 886 B7R1.2 CC1=CNC(=N1)I MCULE-7172464469 [1,0,0,0,1,0|1,0,1]=4 887 B7R1.2 CC1=CNC(=N1)N MCULE-2945170552 [1,0,0,0,1,0|1,0,1]=4 888 B7R1.2 CC1=CNC(=N1)S MCULE-1670645296 [1,0,0,0,1,0|0,0,2]=4 889 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [1,0,0,0,1,0|0,1,0]=3 890 B7R1.2 CC1=COC(=C1)C MCULE-9104872009 [1,0,0,0,1,0|2,0,0]=4 891 B7R1.2 CC1=COC(=N)N1 MCULE-2875662146 [1,0,0,0,1,0|2,0,0]=4 892 B7R1.2 CC1=CSC(=C1)Br MCULE-1301546959 [1,0,0,0,1,0|2,0,0]=4 893 B7R1.2 CC1=CSC(=C1)C MCULE-9938369670 [1,0,0,0,1,0|2,0,0]=4 894 B7R1.2 CC1=CSC(=C1)Cl MCULE-8287471659 [1,0,0,0,1,0|2,0,0]=4 895 B7R1.2 CC1=CSC(=C1)N MCULE-6517545234 [1,0,0,0,1,0|2,0,0]=4 896 B7R1.2 CC1=CSC(=C1)N MCULE-8640058932 [1,0,0,0,1,0|2,0,0]=4 897 B7R1.2 CC1=CSC(=C1)O MCULE-1324476521 [1,0,0,0,1,0|1,0,1]=4 898 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [1,0,0,0,1,0|1,1,0]=4 899 B7R1.2 CC1=NC(=CN1)Br MCULE-7128800979 [1,0,0,0,1,0|2,0,0]=4 900 B7R1.2 CC1=NC(=CN1)I MCULE-3668066625 [1,0,0,0,1,0|2,0,0]=4 901 B7R1.2 CC1=NC(=O)NN1 MCULE-7112378155 [1,0,0,0,1,0|1,0,0]=3 902 B7R1.2 CC1=NNC(=C1)Cl MCULE-9047691966 [1,0,0,0,1,0|1,0,1]=4 903 B7R1.2 CC1=NNC(=C1)I MCULE-7626013113 [1,0,0,0,1,0|1,0,1]=4 904 B7R1.2 CC1=NNC(=C1)N MCULE-5982415678 [1,0,0,0,1,0|1,0,1]=4 905 B7R1.2 CC1=NNC(=C1)N MCULE-8265446300 [1,0,0,0,1,0|1,0,1]=4 906 B7R1.2 CC1=NNC(=C1)N MCULE-8755398394 [1,0,0,0,1,0|1,0,1]=4 907 B7R1.2 CC1=NNC(=C1)O MCULE-6802545425 [1,0,0,0,1,0|0,0,2]=4 908 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [1,0,0,0,1,0|0,0,2]=4 909 B7R1.2 CC1=NNC(=S)O1 MCULE-1357179698 [1,0,0,0,1,0|2,0,0]=4 910 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [1,0,0,0,1,0|0,0,2]=4 911 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [1,0,0,0,1,0|0,0,2]=4 912 B7R1.2 CC1CNC(=S)N1 MCULE-5305006156 [1,0,0,0,1,0|0,0,2]=4 913 B7R1.2 NC1=CC(=O)NN1 MCULE-6721529473 [1,0,0,0,1,0|1,0,0]=3 914 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [1,0,0,0,1,0|1,0,1]=4 915 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [1,0,0,0,1,0|1,0,1]=4 916 B7R1.2 O=C1C=C(SN1)Cl MCULE-6118293142 [1,0,0,0,1,0|2,0,0]=4 917 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [1,0,0,0,1,0|1,1,0]=4 918 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [1,0,0,0,1,0|0,1,0]=3 919 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [1,0,0,0,1,0|1,1,0]=4 920 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [1,0,0,0,1,0|1,0,1]=4 921 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [1,0,0,0,1,0|0,1,1]=4 922 B7R1.2 O=C1CNC(=S)N1 MCULE-3766479597 [1,0,0,0,1,0|0,0,1]=3 923 B7R1.2 O=C1CNC(=S)S1 MCULE-4359186239 [1,0,0,0,1,0|1,0,1]=4 924 B7R1.2 O=C1CSC(=S)N1 MCULE-8840169234 [1,0,0,0,1,0|1,0,1]=4 925 B7R1.2 O=C1N=C(NN1)S MCULE-4550378114 [1,0,0,0,1,0|2,0,0]=4 926 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [1,0,0,0,1,0|1,1,0]=4 927 B7R1.2 O=C1NC(=S)CS1 MCULE-8601205978 [1,0,0,0,1,0|1,0,1]=4 928 B7R1.2 O=C1NC=C(S1)Cl MCULE-7571560638 [1,0,0,0,1,0|2,0,0]=4 929 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [1,0,0,0,1,0|1,0,1]=4 930 B7R1.2 O=C1NNC(=O)N1 MCULE-5611157961 [1,0,0,0,1,0|1,1,0]=4 931 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [1,0,0,0,1,0|1,1,0]=4 932 B7R1.2 [O-]C1=CSC(=S)N1 MCULE-7540492613 [1,0,0,0,1,0|1,0,1]=4 933 B7R1.4 CC1=C(N=CN1)Br MCULE-4822078952 [1,0,0,0,1,0|1,0,1]=4 934 B7R1.4 CC1=C(NC=C1)C MCULE-3747569551 [1,0,0,0,1,0|1,0,0]=3 935 B7R1.4 CC1=C(NC=N1)C MCULE-3430810073 [1,0,0,0,1,0|1,0,1]=4 936 B7R1.4 CC1=C(NC=N1)C MCULE-5193092074 [1,0,0,0,1,0|1,0,1]=4 937 B7R1.4 CC1=C(NC=N1)C MCULE-6091617996 [1,0,0,0,1,0|1,0,1]=4 938 B7R1.4 CC1=C(NC=N1)Cl MCULE-6148548368 [1,0,0,0,1,0|1,0,1]=4 939 B7R1.4 CC1=C(NC=N1)I MCULE-1624555725 [1,0,0,0,1,0|1,0,1]=4 940 B7R1.4 CC1=C(NC=N1)N MCULE-8683874466 [1,0,0,0,1,0|1,0,1]=4 941 B7R1.4 CC1=C(NC=N1)N MCULE-9896966586 [1,0,0,0,1,0|1,0,1]=4 942 B7R1.4 CC1=C(NN=C1)I MCULE-3870859467 [1,0,0,0,1,0|2,0,0]=4 943 B7R1.4 CC1=C(NN=C1)N MCULE-6982113158 [1,0,0,0,1,0|2,0,0]=4 944 B7R1.4 CC1=C(OC=C1)Br MCULE-4484142471 [1,0,0,0,1,0|2,0,0]=4 945 B7R1.4 CC1=C(OC=C1)C MCULE-1944160075 [1,0,0,0,1,0|2,0,0]=4 946 B7R1.4 CC1=C(SC=C1)Br MCULE-3746729659 [1,0,0,0,1,0|2,0,0]=4 947 B7R1.4 CC1=C(SC=C1)C MCULE-6742776055 [1,0,0,0,1,0|2,0,0]=4 948 B7R1.4 CC1=C(SC=C1)Cl MCULE-4683627316 [1,0,0,0,1,0|2,0,0]=4 949 B7R1.4 CC1=C(SC=C1)I MCULE-4074297086 [1,0,0,0,1,0|2,0,0]=4 950 B7R1.4 CC1=C(SC=C1)S MCULE-6807943440 [1,0,0,0,1,0|1,0,1]=4 951 B7R1.4 CC1=CNNC1=O MCULE-9098077492 [1,0,0,0,1,0|1,1,0]=4 952 B7R1.4 CN1C=CNC1=O MCULE-9198950029 [1,0,0,0,1,0|1,1,0]=4 953 B7R1.4 CN1NC=CC1=O MCULE-4425265471 [1,0,0,0,1,0|2,0,0]=4 954 B7R1.4 CN1NC=NC1=O MCULE-2476320995 [1,0,0,0,1,0|1,0,1]=4 955 B7R1.15 O=C1C=C(C1=O)O MCULE-3440355716 [0,0,0,0,2,0|1,1,0]=4 956 B7R1.15 O=C1C=C(C1=O)[O-] MCULE-9991893223 [0,0,0,0,2,0|1,1,0]=4 957 B9R0.48 CC=CC(=O)NCC(=O)O MCULE-3127874630 [0,0,1,0,0,1|1,1,0]=4 958 B9R0.48 CCNC(=S)NCC(=O)O MCULE-3996581742 [0,0,1,0,0,1|1,0,1]=4 959 B9R0.48 CCNC(=S)NNC(=O)C MCULE-2805208625 [0,0,1,0,0,1|0,0,2]=4