0 B12R1.104 CC(CC1=CN(N=C1)C)C(=O)O MCULE-9100374089 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.104 CC(CN1C=C(C=N1)Br)C(=O)O MCULE-4150701302 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.104 CC(CN1C=C(C=N1)Cl)C(=O)O MCULE-6408556278 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.104 CC(CN1C=C(C=N1)F)C(=O)O MCULE-3398406930 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.104 CC(CN1C=C(C=N1)I)C(=O)O MCULE-1837019027 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.104 CC(CN1C=C(C=N1)N)C(=O)O MCULE-9174895404 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.104 CC(OC1=CN(N=C1)C)C(=O)O MCULE-6424173803 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.104 CC1=CC=C(O1)CC(C)C(=O)O MCULE-9134789589 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.104 CC1=CC=C(S1)CC(C)C(=O)O MCULE-3637404220 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.104 CC1=CC=C(S1)CC(N)C(=O)O MCULE-7413117787 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.104 CC1=CN(N=C1)CC(C)C(=O)O MCULE-4911119962 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.104 CC1=CN(N=C1)CC(N)C(=O)O MCULE-3294035463 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.104 CC1=CN(N=C1)CC(N)C(=O)O MCULE-6388981895 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.104 CN1C=C(C=N1)CC(N)C(=O)O MCULE-1082285581 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.104 CN1C=C(C=N1)CC(N)C(=O)O MCULE-2929142322 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.104 CN1C=C(C=N1)CC(O)C(=O)O MCULE-7597905346 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.104 CN1C=NC(=C1)CC(N)C(=O)O MCULE-5486079144 [0,0,0,0,0,0|0,0,0]=0 17 B12R1.104 CN1C=NC(=C1)C[C@@H](N)C(=O)O MCULE-3613192458 [0,0,0,0,0,0|0,0,0]=0 18 B12R1.104 CN1C=NC(=C1)C[C@@H](N)C(=O)O MCULE-8344880310 [0,0,0,0,0,0|0,0,0]=0 19 B12R1.104 CN1C=NC(=C1)C[C@@H](N)C(=O)O MCULE-8858003477 [0,0,0,0,0,0|0,0,0]=0 20 B12R1.104 CN1C=NC(=C1)C[C@H](N)C(=O)O MCULE-3965514306 [0,0,0,0,0,0|0,0,0]=0 21 B12R1.104 CN1C=NC(=C1)C[C@H](N)C(=O)O MCULE-4475333124 [0,0,0,0,0,0|0,0,0]=0 22 B12R1.104 CN1C=NC(=C1)C[C@H](N)C(=O)O MCULE-5149650387 [0,0,0,0,0,0|0,0,0]=0 23 B12R1.104 CN1C=NC(=C1)C[C@H](N)C(=O)O MCULE-9575114305 [0,0,0,0,0,0|0,0,0]=0 24 B12R1.104 NC(=O)C(N)CN1C=C(C=N1)Br MCULE-4742957534 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.104 NC(CC1=CC=C(S1)Br)C(=O)O MCULE-5965522969 [0,0,0,0,0,0|4,0,0]=4 26 B12R1.104 NC(CC1=CC=C(S1)Br)C(=O)O MCULE-6703511722 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.104 NC(CN1C=C(C=N1)Br)C(=O)O MCULE-1728546369 [0,0,0,0,0,0|3,0,0]=3 28 B12R1.104 NC(CN1C=C(C=N1)Br)C(=O)O MCULE-7283744620 [0,0,0,0,0,0|3,0,0]=3 29 B12R1.104 NC(CN1C=C(C=N1)Cl)C(=O)O MCULE-3067894787 [0,0,0,0,0,0|3,0,0]=3 30 B12R1.104 NC(CN1C=C(C=N1)Cl)C(=O)O MCULE-9192559156 [0,0,0,0,0,0|3,0,0]=3 31 B12R1.104 N[C@@H](CC1=CC(=CS1)Br)C(=O)O MCULE-8498566253 [0,0,0,0,0,0|3,0,0]=3 32 B12R1.104 N[C@@H](CC1=CC=C(S1)Br)C(=O)O MCULE-3463438713 [0,0,0,0,0,0|4,0,0]=4 33 B12R1.104 N[C@@H](CC1=CC=C(S1)Br)C(=O)O MCULE-7727496077 [0,0,0,0,0,0|4,0,0]=4 34 B12R1.104 N[C@H](CC1=CC=C(S1)Br)C(=O)O MCULE-3916316552 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.104 N[C@H](CC1=CC=C(S1)Br)C(=O)O MCULE-9244913261 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.104 O=C(O)C(Cl)CN1C=C(C=N1)Br MCULE-4352712009 [0,0,0,0,0,0|4,0,0]=4 37 B12R1.104 O=C(O)C(O)CN1C=C(C=N1)Br MCULE-6251510619 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.35 CC(=O)C(N)CC1=CN=CN1 MCULE-6260192166 [1,0,0,0,0,0|1,0,2]=4 39 B11R1.35 CC(=O)C(N)CC1=CN=CN1 MCULE-9245260061 [1,0,0,0,0,0|1,0,2]=4 40 B11R1.35 CC(CC1=CC=CN1)C(=O)O MCULE-7927079223 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.35 CC(CC1=CC=CO1)C(=O)O MCULE-4967866488 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.35 CC(CC1=CC=CS1)C(=O)O MCULE-1903423673 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.35 CC(CC1=CN=CN1)C(=O)O MCULE-2039778007 [1,0,0,0,0,0|1,0,2]=4 44 B11R1.35 CC(CC1=CN=CN1)C(=O)O MCULE-8694921132 [1,0,0,0,0,0|1,0,2]=4 45 B11R1.35 CC(CC1=CSC=C1)C(=O)O MCULE-9064961209 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.35 CC(CN1C=CC=N1)C(=O)O MCULE-5293945141 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.35 CC(CN1C=NC=N1)C(=O)O MCULE-5941102084 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.35 C[C@H](NC1=CSC=N1)C(=O)O MCULE-5434211661 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.35 NC(=O)C(N)CC1=CN=CN1 MCULE-3271168780 [1,0,0,0,0,0|1,0,2]=4 50 B11R1.35 NC(=O)C(N)CC1=CN=CN1 MCULE-8656151994 [1,0,0,0,0,0|1,0,2]=4 51 B11R1.35 NC(=O)C(N)CN1C=CC=N1 MCULE-8350079593 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.35 NC(=O)[C@@H](N)CC1=CN=CN1 MCULE-6359300232 [1,0,0,0,0,0|1,0,2]=4 53 B11R1.35 NC(=O)[C@@H](N)CC1=CN=CN1 MCULE-8961824149 [1,0,0,0,0,0|1,0,2]=4 54 B11R1.35 NC(=O)[C@@H](N)CC1=CNC=N1 MCULE-4694791114 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.35 NC(=O)[C@@H](N)CC1=CNC=N1 MCULE-8086406127 [1,0,0,0,0,0|1,0,0]=2 56 B11R1.35 NC(CC1=CC=CN1)C(=O)O MCULE-2621735129 [1,0,0,0,0,0|1,0,1]=3 57 B11R1.35 NC(CC1=CC=CO1)C(=O)O MCULE-2615027072 [1,0,0,0,0,0|2,0,0]=3 58 B11R1.35 NC(CC1=CC=CO1)C(=O)O MCULE-5961212744 [1,0,0,0,0,0|2,0,0]=3 59 B11R1.35 NC(CC1=CC=CS1)C(=O)O MCULE-3785172886 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.35 NC(CC1=CC=CS1)C(=O)O MCULE-8923550765 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.35 NC(CC1=CCCC1)C(=O)O MCULE-1666440268 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.35 NC(CC1=CN=CN1)C(=O)O MCULE-2221977105 [1,0,0,0,0,0|0,0,2]=3 63 B11R1.35 NC(CC1=CN=CN1)C(=O)O MCULE-4252889481 [1,0,0,0,0,0|0,0,2]=3 64 B11R1.35 NC(CC1=CN=CS1)C(=O)O MCULE-3561723067 [1,0,0,0,0,0|1,0,1]=3 65 B11R1.35 NC(CC1=CN=CS1)C(=O)O MCULE-7849285080 [1,0,0,0,0,0|1,0,1]=3 66 B11R1.35 NC(CC1=CN=CS1)C(=O)O MCULE-8240594688 [1,0,0,0,0,0|1,0,1]=3 67 B11R1.35 NC(CC1=CNC=C1)C(=O)O MCULE-9864992308 [1,0,0,0,0,0|1,0,0]=2 68 B11R1.35 NC(CC1=CNC=N1)C(=O)O MCULE-2923626784 [1,0,0,0,0,0|0,0,0]=1 69 B11R1.35 NC(CC1=CNC=N1)C(=O)O MCULE-6787534916 [1,0,0,0,0,0|0,0,0]=1 70 B11R1.35 NC(CC1=CNC=N1)C(=O)O MCULE-7525765487 [1,0,0,0,0,0|0,0,0]=1 71 B11R1.35 NC(CC1=COC=C1)C(=O)O MCULE-9216668765 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.35 NC(CC1=CSC=C1)C(=O)O MCULE-9320828043 [1,0,0,0,0,0|2,0,0]=3 73 B11R1.35 NC(CC1=CSC=C1)C(=O)O MCULE-9372566296 [1,0,0,0,0,0|2,0,0]=3 74 B11R1.35 NC(CC1=CSC=N1)C(=O)O MCULE-2390356050 [1,0,0,0,0,0|1,0,0]=2 75 B11R1.35 NC(CC1=CSC=N1)C(=O)O MCULE-6340376441 [1,0,0,0,0,0|1,0,0]=2 76 B11R1.35 NC(CC1=CSC=N1)C(=O)O MCULE-7084475028 [1,0,0,0,0,0|1,0,0]=2 77 B11R1.35 NC(CC1=NC=CS1)C(=O)O MCULE-2355445124 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.35 NC(CC1=NC=CS1)C(=O)O MCULE-8413492225 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.35 NC(CC1=NN=CN1)C(=O)O MCULE-9972656521 [1,0,0,0,0,0|1,0,2]=4 80 B11R1.35 NC(CC1=NNC=C1)C(=O)O MCULE-8341443044 [1,0,0,0,0,0|2,0,0]=3 81 B11R1.35 NC(CC1=NNC=C1)C(=O)O MCULE-9363176690 [1,0,0,0,0,0|2,0,0]=3 82 B11R1.35 NC(CC1=NNC=N1)C(=O)O MCULE-8826640392 [1,0,0,0,0,0|1,0,0]=2 83 B11R1.35 NC(CN1C=CC=C1)C(=O)O MCULE-6420960159 [1,0,0,0,0,0|3,0,0]=4 84 B11R1.35 NC(CN1C=CC=N1)C(=O)O MCULE-3059611601 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.35 NC(CN1C=CC=N1)C(=O)O MCULE-9483519317 [1,0,0,0,0,0|2,0,0]=3 86 B11R1.35 NC(CN1C=CN=C1)C(=O)O MCULE-2613680512 [1,0,0,0,0,0|2,0,1]=4 87 B11R1.35 NC(CN1C=NC=N1)C(=O)O MCULE-4430137430 [1,0,0,0,0,0|1,0,1]=3 88 B11R1.35 NC(CN1C=NC=N1)C(=O)O MCULE-7109186760 [1,0,0,0,0,0|1,0,1]=3 89 B11R1.35 NC(CN1N=CN=N1)C(=O)O MCULE-1580681279 [1,0,0,0,0,0|2,0,1]=4 90 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-2369724288 [1,0,0,0,0,0|2,0,0]=3 91 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-5803182238 [1,0,0,0,0,0|2,0,0]=3 92 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-5920888333 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-9717464601 [1,0,0,0,0,0|2,0,0]=3 94 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O MCULE-3425714606 [1,0,0,0,0,0|2,0,0]=3 95 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O MCULE-7666246740 [1,0,0,0,0,0|2,0,0]=3 96 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O MCULE-8908733986 [1,0,0,0,0,0|2,0,0]=3 97 B11R1.35 N[C@@H](CC1=CCCC1)C(=O)O MCULE-1528714518 [1,0,0,0,0,0|2,0,1]=4 98 B11R1.35 N[C@@H](CC1=CCCC1)C(=O)O MCULE-5537876142 [1,0,0,0,0,0|2,0,1]=4 99 B11R1.35 N[C@@H](CC1=CN=CN1)C(=O)O MCULE-2087791673 [1,0,0,0,0,0|0,0,2]=3 100 B11R1.35 N[C@@H](CC1=CNC=C1)C(=O)O MCULE-7031820503 [1,0,0,0,0,0|1,0,0]=2 101 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-1155454458 [1,0,0,0,0,0|0,0,0]=1 102 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-4083000888 [1,0,0,0,0,0|0,0,0]=1 103 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-5599456266 [1,0,0,0,0,0|0,0,0]=1 104 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-7458236044 [1,0,0,0,0,0|0,0,0]=1 105 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-9282849595 [1,0,0,0,0,0|0,0,0]=1 106 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-9753735240 [1,0,0,0,0,0|0,0,0]=1 107 B11R1.35 N[C@@H](CC1=COC=C1)C(=O)O MCULE-1840395119 [1,0,0,0,0,0|2,0,0]=3 108 B11R1.35 N[C@@H](CC1=COC=C1)C(=O)O MCULE-2068883490 [1,0,0,0,0,0|2,0,0]=3 109 B11R1.35 N[C@@H](CC1=COC=C1)C(=O)O MCULE-2075437924 [1,0,0,0,0,0|2,0,0]=3 110 B11R1.35 N[C@@H](CC1=COC=C1)C(=O)O MCULE-5577531277 [1,0,0,0,0,0|2,0,0]=3 111 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O MCULE-1834983933 [1,0,0,0,0,0|2,0,0]=3 112 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O MCULE-2668036247 [1,0,0,0,0,0|1,0,0]=2 113 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O MCULE-5714524091 [1,0,0,0,0,0|1,0,0]=2 114 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O MCULE-1297692188 [1,0,0,0,0,0|2,0,0]=3 115 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O MCULE-1796607981 [1,0,0,0,0,0|2,0,0]=3 116 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O MCULE-3328462551 [1,0,0,0,0,0|2,0,0]=3 117 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O MCULE-6620872920 [1,0,0,0,0,0|2,0,0]=3 118 B11R1.35 N[C@@H](CN1C=CN=C1)C(=O)O MCULE-9858220492 [1,0,0,0,0,0|2,0,1]=4 119 B11R1.35 N[C@@H](CN1C=NN=N1)C(=O)O MCULE-4182756652 [1,0,0,0,0,0|2,0,1]=4 120 B11R1.35 N[C@H](CC1=CC=CN1)C(=O)O MCULE-8757725265 [1,0,0,0,0,0|1,0,1]=3 121 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O MCULE-2460207628 [1,0,0,0,0,0|2,0,0]=3 122 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O MCULE-6984530934 [1,0,0,0,0,0|2,0,0]=3 123 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O MCULE-6753547229 [1,0,0,0,0,0|2,0,0]=3 124 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O MCULE-9975284076 [1,0,0,0,0,0|2,0,0]=3 125 B11R1.35 N[C@H](CC1=CN=CS1)C(=O)O MCULE-8243476757 [1,0,0,0,0,0|1,0,1]=3 126 B11R1.35 N[C@H](CC1=CNC=C1)C(=O)O MCULE-9800775235 [1,0,0,0,0,0|1,0,0]=2 127 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O MCULE-2877373266 [1,0,0,0,0,0|0,0,0]=1 128 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O MCULE-4994851602 [1,0,0,0,0,0|0,0,0]=1 129 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O MCULE-9609124805 [1,0,0,0,0,0|0,0,0]=1 130 B11R1.35 N[C@H](CC1=COC=C1)C(=O)O MCULE-2930337657 [1,0,0,0,0,0|2,0,0]=3 131 B11R1.35 N[C@H](CC1=COC=C1)C(=O)O MCULE-3084219342 [1,0,0,0,0,0|2,0,0]=3 132 B11R1.35 N[C@H](CC1=COC=C1)C(=O)O MCULE-4905195149 [1,0,0,0,0,0|2,0,0]=3 133 B11R1.35 N[C@H](CC1=COC=C1)C(=O)O MCULE-5383024553 [1,0,0,0,0,0|2,0,0]=3 134 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O MCULE-1622837336 [1,0,0,0,0,0|2,0,0]=3 135 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O MCULE-4992429415 [1,0,0,0,0,0|2,0,0]=3 136 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O MCULE-8070611987 [1,0,0,0,0,0|2,0,0]=3 137 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O MCULE-8506384635 [1,0,0,0,0,0|2,0,0]=3 138 B11R1.35 N[C@H](CC1=CSC=N1)C(=O)O MCULE-1425018039 [1,0,0,0,0,0|1,0,0]=2 139 B11R1.35 N[C@H](CC1=CSC=N1)C(=O)O MCULE-9292185704 [1,0,0,0,0,0|1,0,0]=2 140 B11R1.35 N[C@H](CC1=NNC=N1)C(=O)O MCULE-2637030444 [1,0,0,0,0,0|1,0,0]=2 141 B11R1.35 N[C@H](CN1C=CN=C1)C(=O)O MCULE-2628582629 [1,0,0,0,0,0|2,0,1]=4 142 B11R1.35 O=C(O)C(=O)CC1=CNC=N1 MCULE-3580978419 [1,0,0,0,0,0|1,0,1]=3 143 B11R1.35 O=C(O)C(Br)CC1=CN=CN1 MCULE-6042646005 [1,0,0,0,0,0|1,0,2]=4 144 B11R1.35 O=C(O)C(Cl)CN1C=CC=N1 MCULE-3448055509 [1,0,0,0,0,0|3,0,0]=4 145 B11R1.35 O=C(O)C(Cl)CN1C=NC=N1 MCULE-5595714575 [1,0,0,0,0,0|2,0,1]=4 146 B11R1.35 O=C(O)C(O)CC1=CC=CS1 MCULE-5295998672 [1,0,0,0,0,0|3,0,0]=4 147 B11R1.35 O=C(O)C(O)CC1=CN=CN1 MCULE-9405168040 [1,0,0,0,0,0|1,0,2]=4 148 B11R1.35 O=C(O)C(O)CN1C=CC=N1 MCULE-6573112131 [1,0,0,0,0,0|3,0,0]=4 149 B11R1.35 O=C(O)C(O)CN1C=NC=N1 MCULE-3781095446 [1,0,0,0,0,0|2,0,1]=4 150 B11R1.35 O=C(O)[C@@H](O)CC1=CNC=N1 MCULE-9508991160 [1,0,0,0,0,0|1,0,0]=2 151 B11R1.35 [C@H](N)(CC1=CSC=C1)C(=O)O MCULE-3699138278 [1,0,0,0,0,0|2,0,0]=3 152 B11R1.39 CN1C=C(C=N1)CC(N)CO MCULE-3505773180 [1,0,0,0,0,0|2,0,1]=4 153 B11R1.39 CN1C=C(C=N1)CC(N)CO MCULE-8550790228 [1,0,0,0,0,0|2,0,1]=4 154 B11R1.75 CC1=CC(=NO1)CCC(=O)O MCULE-3378074738 [1,0,0,0,0,0|2,0,0]=3 155 B11R1.75 CC1=CC(=NO1)OCC(=O)O MCULE-2558118039 [1,0,0,0,0,0|3,0,0]=4 156 B11R1.75 CC1=CC=C(O1)CCC(=O)O MCULE-6067365329 [1,0,0,0,0,0|3,0,0]=4 157 B11R1.75 CC1=CC=C(S1)CCC(=O)O MCULE-1322543612 [1,0,0,0,0,0|3,0,0]=4 158 B11R1.75 CC1=CN(N=C1)CCC(=O)O MCULE-7604509857 [1,0,0,0,0,0|2,0,0]=3 159 B11R1.75 CC1=CN=C(N1)CCC(=O)O MCULE-3730863195 [1,0,0,0,0,0|2,0,0]=3 160 B11R1.75 CC1=CN=C(O1)CCC(=O)O MCULE-2444599746 [1,0,0,0,0,0|2,0,0]=3 161 B11R1.75 CC1=CSC(=C1)CCC(=O)O MCULE-9487444949 [1,0,0,0,0,0|2,0,0]=3 162 B11R1.75 CC1=CSC(=N1)CCC(=O)O MCULE-4382447299 [1,0,0,0,0,0|3,0,0]=4 163 B11R1.75 CC1=NN=C(O1)CCC(=O)O MCULE-6891585294 [1,0,0,0,0,0|3,0,0]=4 164 B11R1.75 CC1=NN=C(S1)CCC(=O)O MCULE-6765716317 [1,0,0,0,0,0|3,0,0]=4 165 B11R1.75 CC1=NNC(=C1)CCC(=O)O MCULE-6612442548 [1,0,0,0,0,0|2,0,1]=4 166 B11R1.75 CC1=NOC(=C1)CCC(=O)O MCULE-6454692713 [1,0,0,0,0,0|3,0,0]=4 167 B11R1.75 CN1C=C(C=N1)CCC(=O)O MCULE-1627544656 [1,0,0,0,0,0|2,0,0]=3 168 B11R1.75 CN1C=C(C=N1)NCC(=O)O MCULE-8262527559 [1,0,0,0,0,0|3,0,0]=4 169 B11R1.75 CN1C=C(C=N1)NCC(=O)O MCULE-9883678232 [1,0,0,0,0,0|3,0,0]=4 170 B11R1.75 CN1C=C(C=N1)OCC(=O)O MCULE-6536356815 [1,0,0,0,0,0|3,0,0]=4 171 B11R1.75 CN1C=C(C=N1)OCC(=O)O MCULE-7857565470 [1,0,0,0,0,0|3,0,0]=4 172 B11R1.75 CN1C=C(C=N1)SCC(=O)O MCULE-5239431787 [1,0,0,0,0,0|3,0,0]=4 173 B11R1.75 CN1C=C(N=N1)CCC(=O)O MCULE-6227748512 [1,0,0,0,0,0|1,0,0]=2 174 B11R1.75 CN1C=CC(=C1)CCC(=O)O MCULE-4623817123 [1,0,0,0,0,0|1,0,0]=2 175 B11R1.75 CN1C=CC(=N1)CCC(=O)O MCULE-8327068965 [1,0,0,0,0,0|2,0,0]=3 176 B11R1.75 CN1C=CC(=N1)OCC(=O)O MCULE-6732532969 [1,0,0,0,0,0|3,0,0]=4 177 B11R1.75 CN1C=NC(=C1)C=CC(=O)O MCULE-4071980192 [1,0,0,0,0,0|0,0,2]=3 178 B11R1.75 CN1C=NC(=C1)C=CC(=O)O MCULE-8917973345 [1,0,0,0,0,0|0,0,2]=3 179 B11R1.75 CN1N=CC(=N1)CCC(=O)O MCULE-7086018325 [1,0,0,0,0,0|3,0,0]=4 180 B11R1.75 NC1=CN(N=C1)CCC(=O)O MCULE-5141494259 [1,0,0,0,0,0|3,0,0]=4 181 B11R1.75 NC1=CN(N=C1)CCC(=O)O MCULE-5520811129 [1,0,0,0,0,0|3,0,0]=4 182 B11R1.75 O=C(O)CCC1=CC(=CS1)Br MCULE-2009432961 [1,0,0,0,0,0|3,0,0]=4 183 B11R1.75 O=C(O)CCC1=CC(=CS1)Cl MCULE-3702716997 [1,0,0,0,0,0|3,0,0]=4 184 B11R1.75 O=C(O)CCN1C=C(C=N1)Br MCULE-2058062625 [1,0,0,0,0,0|3,0,0]=4 185 B11R1.75 O=C(O)CCN1C=C(C=N1)Br MCULE-7711015175 [1,0,0,0,0,0|3,0,0]=4 186 B11R1.75 O=C(O)CCN1C=C(C=N1)Cl MCULE-2424288635 [1,0,0,0,0,0|3,0,0]=4 187 B11R1.75 O=C(O)CCN1C=C(C=N1)F MCULE-7041627124 [1,0,0,0,0,0|3,0,0]=4 188 B11R1.75 O=C(O)CCN1C=C(C=N1)I MCULE-5094869596 [1,0,0,0,0,0|3,0,0]=4 189 B13R1.134 COC(=O)C(N)CC1=CN(C=N1)C MCULE-1161726679 [0,1,0,0,0,0|0,0,0]=1 190 B13R1.134 COC(=O)C(N)CC1=CN(C=N1)C MCULE-8450355930 [0,1,0,0,0,0|0,0,0]=1 191 B13R1.134 COC(=O)C(N)CC1=CN(N=C1)C MCULE-5900845921 [0,1,0,0,0,0|2,0,0]=3 192 B13R1.134 COC(=O)C(N)CN1C=C(C=N1)Br MCULE-9663514139 [0,1,0,0,0,0|3,0,0]=4 193 B13R1.134 COC(=O)C(N)CN1C=C(C=N1)C MCULE-3097950183 [0,1,0,0,0,0|2,0,0]=3 194 B13R1.134 COC(=O)C(N)CN1C=C(C=N1)C MCULE-7192930311 [0,1,0,0,0,0|2,0,0]=3 195 B13R1.134 COC(=O)[C@@H](N)CC1=CC=C(S1)C MCULE-6848336004 [0,1,0,0,0,0|3,0,0]=4 196 B13R1.134 COC(=O)[C@@H](N)CC1=CN(C=N1)C MCULE-1729680041 [0,1,0,0,0,0|0,0,0]=1 197 B13R1.134 COC(=O)[C@@H](N)CC1=CN(C=N1)C MCULE-2938188839 [0,1,0,0,0,0|0,0,0]=1 198 B13R1.134 COC(=O)[C@@H](N)CC1=CN(C=N1)C MCULE-3472013655 [0,1,0,0,0,0|0,0,0]=1 199 B13R1.134 COC(=O)[C@@H](N)CC1=CN(C=N1)C MCULE-8175161010 [0,1,0,0,0,0|0,0,0]=1 200 B13R1.134 COC(=O)[C@@H](N)CC1=CN(N=C1)C MCULE-9312682694 [0,1,0,0,0,0|2,0,0]=3 201 B13R1.134 COC(=O)[C@H](N)CC1=CC=C(S1)C MCULE-5990308296 [0,1,0,0,0,0|3,0,0]=4 202 B13R1.134 COC(=O)[C@H](N)CC1=CN(N=C1)C MCULE-9980173214 [0,1,0,0,0,0|2,0,0]=3 203 B13R1.410 CN1C=NC(=C1)/C=C(\C#N)/C(=O)O MCULE-2274832304 [0,1,0,0,0,0|0,0,3]=4 204 B13R1.410 CN1C=NC(=C1)C=C(C#N)C(=O)O MCULE-5566352909 [0,1,0,0,0,0|0,0,3]=4 205 B13R1.410 CNC(CN1C=C(C=N1)Br)C(=O)O MCULE-1219157826 [0,1,0,0,0,0|3,0,0]=4 206 B13R1.3429 CC(N)(CN1C=C(C=N1)Br)C(=O)O MCULE-6717879231 [0,1,0,0,0,0|3,0,0]=4 207 B13R1.3429 CC1=CN(N=C1)CC(C)(C)C(=O)O MCULE-7242721798 [0,1,0,0,0,0|3,0,0]=4 208 B13R1.3449 CC1=CN(N=C1C)CC(C)C(=O)O MCULE-8015613236 [0,1,0,0,0,0|3,0,0]=4 209 B13R1.3481 CC1=NN(C(=C1)CC(N)C(=O)O)C MCULE-7052233785 [0,1,0,0,0,0|2,0,1]=4 210 B13R1.3481 CC1=NN(C(=C1)CC(N)C(=O)O)C MCULE-8229929653 [0,1,0,0,0,0|2,0,1]=4 211 B13R1.3481 CN1C=C(C(=N1)CC(N)C(=O)O)Cl MCULE-6428516847 [0,1,0,0,0,0|2,0,0]=3 212 B13R1.3481 CN1C=C(C(=N1)CC(N)C(=O)O)Cl MCULE-8388552774 [0,1,0,0,0,0|2,0,0]=3 213 B13R1.3481 CN1C=C(C(=N1)C[C@H](N)C(=O)O)Cl MCULE-3483023733 [0,1,0,0,0,0|2,0,0]=3 214 B13R1.3481 CN1C=C(C(=N1)C[C@H](N)C(=O)O)Cl MCULE-6796361280 [0,1,0,0,0,0|2,0,0]=3 215 B13R1.5896 CC1=C(C=NN1C)CC(N)C(=O)O MCULE-4268561975 [0,1,0,0,0,0|2,0,0]=3 216 B13R2.400 CN1C=C2CC(CC2=N1)C(=O)O MCULE-6798903620 [0,0,0,1,0,0|3,0,0]=4 217 B13R2.2978 CN1C=C(C=N1)C2CC2C(=O)O MCULE-7775206307 [0,0,0,1,0,0|3,0,0]=4 218 B13R2.2978 CN1C=C(C=N1)C2C[C@@H]2C(=O)O MCULE-7402734694 [0,0,0,1,0,0|3,0,0]=4 219 B13R2.2978 CN1C=C(C=N1)[C@@H]2C[C@H]2C(=O)O MCULE-8630287657 [0,0,0,1,0,0|3,0,0]=4 220 B13R2.2978 CN1C=CC(=N1)C2CC2C(=O)O MCULE-3896500642 [0,0,0,1,0,0|3,0,0]=4 221 B13R2.3678 CC1=CN=C2N1CC(C2)C(=O)O MCULE-9434205854 [0,0,0,1,0,0|3,0,0]=4 222 B11R1.314 CC(C(=O)O)C1=CN(N=C1)C MCULE-7151267785 [0,0,0,0,1,0|3,0,0]=4 223 B11R1.314 CC1=CC=C(S1)C(N)C(=O)O MCULE-9803888253 [0,0,0,0,1,0|3,0,0]=4 224 B11R1.314 CC1=CN(N=C1)C(C)C(=O)O MCULE-4851903758 [0,0,0,0,1,0|3,0,0]=4 225 B11R1.314 CN1C=C(C=N1)C(N)C(=O)O MCULE-2913985038 [0,0,0,0,1,0|2,0,0]=3 226 B11R1.314 CN1C=C(C=N1)C(O)C(=O)O MCULE-3063179725 [0,0,0,0,1,0|3,0,0]=4 227 B11R1.314 CN1C=C(C=N1)C(O)C(=O)O MCULE-7414801789 [0,0,0,0,1,0|3,0,0]=4 228 B11R1.314 CN1C=CC(=N1)C(N)C(=O)O MCULE-4282498303 [0,0,0,0,1,0|2,0,0]=3 229 B11R1.314 NC(C(=O)O)C1=CC(=CS1)Br MCULE-1427984761 [0,0,0,0,1,0|3,0,0]=4 230 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O MCULE-4590037722 [0,0,0,0,0,1|3,0,0]=4 231 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O MCULE-5938013882 [0,0,0,0,0,1|2,0,0]=3 232 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O MCULE-5941415626 [0,0,0,0,0,1|2,0,0]=3 233 B13R1.133 CC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-4074563438 [0,0,0,0,0,1|2,0,0]=3 234 B13R1.133 CC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-6283014667 [0,0,0,0,0,1|2,0,0]=3 235 B13R1.133 CC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-4426041269 [0,0,0,0,0,1|2,0,0]=3 236 B13R1.133 CC1=CC=C(C=N1)CC(N)C(=O)O MCULE-7515109915 [0,0,0,0,0,1|2,0,0]=3 237 B13R1.133 CC1=CC=C(C=N1)CC(N)C(=O)O MCULE-7970126746 [0,0,0,0,0,1|2,0,0]=3 238 B13R1.133 CC1=CC=C(C=N1)C[C@H](N)C(=O)O MCULE-3552123991 [0,0,0,0,0,1|2,0,0]=3 239 B13R1.133 CC1=CC=C(C=N1)C[C@H](N)C(=O)O MCULE-8500104051 [0,0,0,0,0,1|2,0,0]=3 240 B13R1.133 CC1=CN=C(C=C1)CC(N)C(=O)O MCULE-9990775207 [0,0,0,0,0,1|1,0,0]=2 241 B13R1.133 CC1=NC=C(C=C1)CC(C)C(=O)O MCULE-3690219579 [0,0,0,0,0,1|3,0,0]=4 242 B13R1.133 NC(CC1=CC=C(C=C1)Br)C(=O)O MCULE-1775451572 [0,0,0,0,0,1|3,0,0]=4 243 B13R1.133 NC(CC1=CC=C(C=C1)Br)C(=O)O MCULE-7470720579 [0,0,0,0,0,1|3,0,0]=4 244 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O MCULE-2078281838 [0,0,0,0,0,1|3,0,0]=4 245 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O MCULE-3147443800 [0,0,0,0,0,1|3,0,0]=4 246 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O MCULE-6446437625 [0,0,0,0,0,1|3,0,0]=4 247 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O MCULE-1002354431 [0,0,0,0,0,1|3,0,0]=4 248 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O MCULE-3057881279 [0,0,0,0,0,1|3,0,0]=4 249 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O MCULE-3274733318 [0,0,0,0,0,1|3,0,0]=4 250 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O MCULE-9271769862 [0,0,0,0,0,1|3,0,0]=4 251 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O MCULE-3082140157 [0,0,0,0,0,1|3,0,0]=4 252 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O MCULE-8666804898 [0,0,0,0,0,1|3,0,0]=4 253 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O MCULE-1694199256 [0,0,0,0,0,1|3,0,0]=4 254 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O MCULE-3703416768 [0,0,0,0,0,1|3,0,0]=4 255 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O MCULE-6898017610 [0,0,0,0,0,1|3,0,0]=4 256 B13R1.133 NC(CC1=CC=C(C=N1)Cl)C(=O)O MCULE-3104561565 [0,0,0,0,0,1|2,0,0]=3 257 B13R1.133 NC(CC1=CN=C(C=C1)Cl)C(=O)O MCULE-6144527889 [0,0,0,0,0,1|3,0,0]=4 258 B13R1.133 NC(CC1=NC=C(C=C1)Br)C(=O)O MCULE-1184762054 [0,0,0,0,0,1|2,0,0]=3 259 B13R1.133 NC(CC1=NC=C(C=C1)Br)C(=O)O MCULE-3401635049 [0,0,0,0,0,1|2,0,0]=3 260 B13R1.133 NC(CC1=NC=C(C=C1)Cl)C(=O)O MCULE-7003179779 [0,0,0,0,0,1|2,0,0]=3 261 B13R1.133 NC1=CC=C(C=C1)CC(N)C(=O)O MCULE-3239737488 [0,0,0,0,0,1|3,0,0]=4 262 B13R1.133 NC1=CC=C(C=C1)CC(N)C(=O)O MCULE-6150381462 [0,0,0,0,0,1|3,0,0]=4 263 B13R1.133 NC1=CC=C(C=C1)CC(N)C(=O)O MCULE-9416228233 [0,0,0,0,0,1|3,0,0]=4 264 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-1451751780 [0,0,0,0,0,1|3,0,0]=4 265 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-2816716756 [0,0,0,0,0,1|3,0,0]=4 266 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-6139445410 [0,0,0,0,0,1|3,0,0]=4 267 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-9266819464 [0,0,0,0,0,1|3,0,0]=4 268 B13R1.133 NC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-2156725008 [0,0,0,0,0,1|3,0,0]=4 269 B13R1.133 NC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-3637255624 [0,0,0,0,0,1|3,0,0]=4 270 B13R1.133 NC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-4975962563 [0,0,0,0,0,1|3,0,0]=4 271 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O MCULE-7143135740 [0,0,0,0,0,1|3,0,0]=4 272 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O MCULE-8089296783 [0,0,0,0,0,1|3,0,0]=4 273 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-4387611400 [0,0,0,0,0,1|3,0,0]=4 274 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-7124632876 [0,0,0,0,0,1|3,0,0]=4 275 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-7237411145 [0,0,0,0,0,1|3,0,0]=4 276 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-9545997189 [0,0,0,0,0,1|3,0,0]=4 277 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-1704209264 [0,0,0,0,0,1|3,0,0]=4 278 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-4577062521 [0,0,0,0,0,1|3,0,0]=4 279 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-8737892544 [0,0,0,0,0,1|3,0,0]=4 280 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-8976470347 [0,0,0,0,0,1|3,0,0]=4 281 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O MCULE-2723914313 [0,0,0,0,0,1|3,0,0]=4 282 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O MCULE-6302870801 [0,0,0,0,0,1|3,0,0]=4 283 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-2932088896 [0,0,0,0,0,1|3,0,0]=4 284 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-2973514450 [0,0,0,0,0,1|3,0,0]=4 285 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-6154244493 [0,0,0,0,0,1|3,0,0]=4 286 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-8059108702 [0,0,0,0,0,1|3,0,0]=4 287 B13R1.133 N[C@@H](CC1=CC=C(C=N1)Cl)C(=O)O MCULE-8852055943 [0,0,0,0,0,1|2,0,0]=3 288 B13R1.133 N[C@@H](CC1=CC=C(N=C1)Cl)C(=O)O MCULE-1340381614 [0,0,0,0,0,1|3,0,0]=4 289 B13R1.133 N[C@@H](CC1=CC=C(N=C1)Cl)C(=O)O MCULE-5029235962 [0,0,0,0,0,1|3,0,0]=4 290 B13R1.133 N[C@@H](CC1=CN=C(C=C1)Cl)C(=O)O MCULE-5440835507 [0,0,0,0,0,1|3,0,0]=4 291 B13R1.133 N[C@@H](CC1=CN=C(C=C1)Cl)C(=O)O MCULE-6580710907 [0,0,0,0,0,1|3,0,0]=4 292 B13R1.133 N[C@@H](CC1=NC=C(C=C1)Br)C(=O)O MCULE-5841875025 [0,0,0,0,0,1|2,0,0]=3 293 B13R1.133 N[C@@H](CC1=NC=C(C=C1)Br)C(=O)O MCULE-8825878130 [0,0,0,0,0,1|2,0,0]=3 294 B13R1.133 N[C@@H](CC1=NC=C(C=C1)Cl)C(=O)O MCULE-7695251719 [0,0,0,0,0,1|2,0,0]=3 295 B13R1.133 N[C@H](CC1=CC=C(C=C1)Br)C(=O)O MCULE-4875394682 [0,0,0,0,0,1|3,0,0]=4 296 B13R1.133 N[C@H](CC1=CC=C(C=C1)Br)C(=O)O MCULE-8335788231 [0,0,0,0,0,1|3,0,0]=4 297 B13R1.133 N[C@H](CC1=CC=C(C=C1)Br)C(=O)O MCULE-8515191610 [0,0,0,0,0,1|3,0,0]=4 298 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-2834745731 [0,0,0,0,0,1|3,0,0]=4 299 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-3982277557 [0,0,0,0,0,1|3,0,0]=4 300 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-4128938211 [0,0,0,0,0,1|3,0,0]=4 301 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-6437321299 [0,0,0,0,0,1|3,0,0]=4 302 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-1442650276 [0,0,0,0,0,1|3,0,0]=4 303 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-3700362961 [0,0,0,0,0,1|3,0,0]=4 304 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-8139852905 [0,0,0,0,0,1|3,0,0]=4 305 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-9312923607 [0,0,0,0,0,1|3,0,0]=4 306 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O MCULE-2177794046 [0,0,0,0,0,1|3,0,0]=4 307 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O MCULE-2766032223 [0,0,0,0,0,1|3,0,0]=4 308 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-6003337645 [0,0,0,0,0,1|3,0,0]=4 309 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-7719741497 [0,0,0,0,0,1|3,0,0]=4 310 B13R1.133 [C@H](N)(CC1=CC=C(C=C1)C)C(=O)O MCULE-6439185943 [0,0,0,0,0,1|2,0,0]=3 311 B13R1.133 [C@H](N)(CC1=CC=C(C=C1)N)C(=O)O MCULE-5291387050 [0,0,0,0,0,1|3,0,0]=4 312 B13R1.133 [C@H](N)(CC1=CC=C(C=C1)N)C(=O)O MCULE-6099117172 [0,0,0,0,0,1|3,0,0]=4 313 B13R1.133 [C@H](N)(CC1=CC=C(C=C1)N)C(=O)O MCULE-7165201455 [0,0,0,0,0,1|3,0,0]=4 314 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O MCULE-1997175050 [0,0,0,0,0,1|2,0,0]=3 315 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O MCULE-9587136551 [0,0,0,0,0,1|2,0,0]=3 316 B13R1.148 CC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-8447730242 [0,0,0,0,0,1|2,0,0]=3 317 B13R1.148 CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-5228247053 [0,0,0,0,0,1|2,0,0]=3 318 B13R1.148 CC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-8475369617 [0,0,0,0,0,1|2,0,0]=3 319 B13R1.148 CC1=CC=CC(=C1)CC(C)C(=O)O MCULE-8982907611 [0,0,0,0,0,1|3,0,0]=4 320 B13R1.148 CC1=CC=CC(=C1)CC(N)C(=O)O MCULE-1770281237 [0,0,0,0,0,1|2,0,0]=3 321 B13R1.148 CC1=CC=CC(=C1)C[C@@H](N)C(=O)O MCULE-8538987390 [0,0,0,0,0,1|2,0,0]=3 322 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O MCULE-2348274001 [0,0,0,0,0,1|3,0,0]=4 323 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O MCULE-6147884206 [0,0,0,0,0,1|3,0,0]=4 324 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O MCULE-1289187602 [0,0,0,0,0,1|3,0,0]=4 325 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O MCULE-8409034063 [0,0,0,0,0,1|3,0,0]=4 326 B13R1.148 NC(CC1=CC(=CC=C1)F)C(=O)O MCULE-3048081903 [0,0,0,0,0,1|3,0,0]=4 327 B13R1.148 NC(CC1=CC(=CC=C1)I)C(=O)O MCULE-4400986534 [0,0,0,0,0,1|3,0,0]=4 328 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O MCULE-1682126004 [0,0,0,0,0,1|3,0,0]=4 329 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O MCULE-1870924489 [0,0,0,0,0,1|3,0,0]=4 330 B13R1.148 NC(CC1=CC=CC(=C1)Br)C(=O)O MCULE-8007269772 [0,0,0,0,0,1|3,0,0]=4 331 B13R1.148 NC(CC1=CC=CC(=C1)Cl)C(=O)O MCULE-1743986990 [0,0,0,0,0,1|3,0,0]=4 332 B13R1.148 NC(CC1=CC=CC(=C1)Cl)C(=O)O MCULE-6477168764 [0,0,0,0,0,1|3,0,0]=4 333 B13R1.148 NC(CC1=CC=CC(=C1)F)C(=O)O MCULE-1037840303 [0,0,0,0,0,1|3,0,0]=4 334 B13R1.148 NC(CC1=CC=CC(=C1)F)C(=O)O MCULE-1978574097 [0,0,0,0,0,1|3,0,0]=4 335 B13R1.148 NC(CC1=CC=CC(=C1)O)C(=O)O MCULE-7197195437 [0,0,0,0,0,1|3,0,0]=4 336 B13R1.148 NC1=CC(=CC=C1)CC(N)C(=O)O MCULE-2467932131 [0,0,0,0,0,1|3,0,0]=4 337 B13R1.148 NC1=CC(=CC=C1)CC(N)C(=O)O MCULE-5537013080 [0,0,0,0,0,1|3,0,0]=4 338 B13R1.148 NC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-2052828414 [0,0,0,0,0,1|3,0,0]=4 339 B13R1.148 NC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-2924867217 [0,0,0,0,0,1|3,0,0]=4 340 B13R1.148 NC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-5878731697 [0,0,0,0,0,1|3,0,0]=4 341 B13R1.148 NC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-8248386535 [0,0,0,0,0,1|3,0,0]=4 342 B13R1.148 NC1=CC=CC(=C1)CC(N)C(=O)O MCULE-6788793962 [0,0,0,0,0,1|3,0,0]=4 343 B13R1.148 NC1=CC=CC(=C1)CC(N)C(=O)O MCULE-7989672916 [0,0,0,0,0,1|3,0,0]=4 344 B13R1.148 N[C@@H](CC1=CC(=CC=C1)Br)C(=O)O MCULE-3495438482 [0,0,0,0,0,1|3,0,0]=4 345 B13R1.148 N[C@@H](CC1=CC(=CC=C1)Cl)C(=O)O MCULE-9561585574 [0,0,0,0,0,1|3,0,0]=4 346 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O MCULE-2356956274 [0,0,0,0,0,1|3,0,0]=4 347 B13R1.148 N[C@@H](CC1=CC(=CN=C1)F)C(=O)O MCULE-1217529300 [0,0,0,0,0,1|2,0,0]=3 348 B13R1.148 N[C@@H](CC1=CC(=CN=C1)F)C(=O)O MCULE-6320059944 [0,0,0,0,0,1|2,0,0]=3 349 B13R1.148 N[C@@H](CC1=CC=CC(=C1)Br)C(=O)O MCULE-1686064373 [0,0,0,0,0,1|3,0,0]=4 350 B13R1.148 N[C@@H](CC1=CC=CC(=C1)Br)C(=O)O MCULE-4183003026 [0,0,0,0,0,1|3,0,0]=4 351 B13R1.148 N[C@@H](CC1=CC=CC(=C1)Cl)C(=O)O MCULE-5029761730 [0,0,0,0,0,1|3,0,0]=4 352 B13R1.148 N[C@@H](CC1=CC=CC(=C1)Cl)C(=O)O MCULE-6284927524 [0,0,0,0,0,1|3,0,0]=4 353 B13R1.148 N[C@@H](CC1=CC=CC(=C1)Cl)C(=O)O MCULE-9100547203 [0,0,0,0,0,1|3,0,0]=4 354 B13R1.148 N[C@@H](CC1=CC=CC(=C1)F)C(=O)O MCULE-7481903657 [0,0,0,0,0,1|3,0,0]=4 355 B13R1.148 N[C@@H](CC1=CC=CC(=C1)F)C(=O)O MCULE-8671021032 [0,0,0,0,0,1|3,0,0]=4 356 B13R1.148 N[C@@H](CC1=CC=CC(=C1)I)C(=O)O MCULE-6787387564 [0,0,0,0,0,1|3,0,0]=4 357 B13R1.148 N[C@@H](CC1=CC=CC(=C1)I)C(=O)O MCULE-8633614286 [0,0,0,0,0,1|3,0,0]=4 358 B13R1.148 N[C@@H](CC1=CC=CC(=C1)O)C(=O)O MCULE-2174973339 [0,0,0,0,0,1|3,0,0]=4 359 B13R1.148 N[C@@H](CC1=CC=CC(=C1)O)C(=O)O MCULE-6923480945 [0,0,0,0,0,1|3,0,0]=4 360 B13R1.148 N[C@@H](CC1=CC=CC(=C1)O)C(=O)O MCULE-8483193639 [0,0,0,0,0,1|3,0,0]=4 361 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O MCULE-4455335179 [0,0,0,0,0,1|3,0,0]=4 362 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O MCULE-6512619298 [0,0,0,0,0,1|3,0,0]=4 363 B13R1.148 N[C@H](CC1=CC=CC(=C1)Br)C(=O)O MCULE-6055691240 [0,0,0,0,0,1|3,0,0]=4 364 B13R1.148 N[C@H](CC1=CC=CC(=C1)Br)C(=O)O MCULE-8797288798 [0,0,0,0,0,1|3,0,0]=4 365 B13R1.148 N[C@H](CC1=CC=CC(=C1)Cl)C(=O)O MCULE-5153208600 [0,0,0,0,0,1|3,0,0]=4 366 B13R1.148 N[C@H](CC1=CC=CC(=C1)Cl)C(=O)O MCULE-7991505295 [0,0,0,0,0,1|3,0,0]=4 367 B13R1.148 N[C@H](CC1=CC=CC(=C1)F)C(=O)O MCULE-2189181945 [0,0,0,0,0,1|3,0,0]=4 368 B13R1.148 N[C@H](CC1=CC=CC(=C1)F)C(=O)O MCULE-5152700511 [0,0,0,0,0,1|3,0,0]=4 369 B13R1.148 N[C@H](CC1=CC=CC(=C1)I)C(=O)O MCULE-1640787822 [0,0,0,0,0,1|3,0,0]=4 370 B13R1.148 N[C@H](CC1=CC=CC(=C1)I)C(=O)O MCULE-7721290088 [0,0,0,0,0,1|3,0,0]=4 371 B10R1.27 NC(CO)CC1=CNC=N1 MCULE-6372320124 [2,0,0,0,0,0|0,0,1]=3 372 B10R1.27 NC(CO)CC1=CNC=N1 MCULE-6514676641 [2,0,0,0,0,0|0,0,1]=3 373 B10R1.27 NC(CO)CC1=CNC=N1 MCULE-7997190567 [2,0,0,0,0,0|0,0,1]=3 374 B10R1.27 NC(CO)CC1=CNC=N1 MCULE-9281041619 [2,0,0,0,0,0|0,0,1]=3 375 B10R1.27 N[C@@H](CO)CC1=CNC=N1 MCULE-2195648856 [2,0,0,0,0,0|0,0,1]=3 376 B10R1.27 N[C@@H](CO)CC1=CNC=N1 MCULE-5523226969 [2,0,0,0,0,0|0,0,1]=3 377 B10R1.27 N[C@@H](CO)CC1=CNC=N1 MCULE-7842287861 [2,0,0,0,0,0|0,0,1]=3 378 B10R1.27 N[C@@H](CO)CC1=CNC=N1 MCULE-8131511898 [2,0,0,0,0,0|0,0,1]=3 379 B10R1.27 N[C@H](CO)CC1=CNC=N1 MCULE-4462090976 [2,0,0,0,0,0|0,0,1]=3 380 B10R1.27 N[C@H](CO)CC1=CNC=N1 MCULE-6352007011 [2,0,0,0,0,0|0,0,1]=3 381 B10R1.27 N[C@H](CO)CC1=CNC=N1 MCULE-7157632202 [2,0,0,0,0,0|0,0,1]=3 382 B10R1.27 N[C@H](CO)CC1=CNC=N1 MCULE-7447304629 [2,0,0,0,0,0|0,0,1]=3 383 B10R1.66 O=C(O)/C=C/C1=CNC=N1 MCULE-6953426192 [2,0,0,0,0,0|0,0,2]=4 384 B10R1.66 O=C(O)C=CC1=CNC=N1 MCULE-7002606160 [2,0,0,0,0,0|0,0,2]=4 385 B10R1.66 O=C(O)CCC1=CC=CN1 MCULE-8495580718 [2,0,0,0,0,0|1,0,1]=4 386 B10R1.66 O=C(O)CCC1=CC=CO1 MCULE-3535606082 [2,0,0,0,0,0|2,0,0]=4 387 B10R1.66 O=C(O)CCC1=CC=CS1 MCULE-3548538547 [2,0,0,0,0,0|2,0,0]=4 388 B10R1.66 O=C(O)CCC1=CN=CS1 MCULE-2668820713 [2,0,0,0,0,0|1,0,1]=4 389 B10R1.66 O=C(O)CCC1=CN=CS1 MCULE-7272215073 [2,0,0,0,0,0|1,0,1]=4 390 B10R1.66 O=C(O)CCC1=CNC=C1 MCULE-9116858435 [2,0,0,0,0,0|1,0,0]=3 391 B10R1.66 O=C(O)CCC1=CNC=N1 MCULE-3618491840 [2,0,0,0,0,0|0,0,0]=2 392 B10R1.66 O=C(O)CCC1=CNC=N1 MCULE-8133590347 [2,0,0,0,0,0|0,0,0]=2 393 B10R1.66 O=C(O)CCC1=CNN=C1 MCULE-1705333891 [2,0,0,0,0,0|2,0,0]=4 394 B10R1.66 O=C(O)CCC1=CNN=C1 MCULE-4996856052 [2,0,0,0,0,0|2,0,0]=4 395 B10R1.66 O=C(O)CCC1=CNN=N1 MCULE-2306529453 [2,0,0,0,0,0|1,0,0]=3 396 B10R1.66 O=C(O)CCC1=CNN=N1 MCULE-3429425016 [2,0,0,0,0,0|1,0,0]=3 397 B10R1.66 O=C(O)CCC1=COC=C1 MCULE-6225332803 [2,0,0,0,0,0|2,0,0]=4 398 B10R1.66 O=C(O)CCC1=CSC=C1 MCULE-5919306548 [2,0,0,0,0,0|2,0,0]=4 399 B10R1.66 O=C(O)CCC1=CSC=N1 MCULE-3188158342 [2,0,0,0,0,0|1,0,0]=3 400 B10R1.66 O=C(O)CCC1=NC=CN1 MCULE-8831721107 [2,0,0,0,0,0|2,0,0]=4 401 B10R1.66 O=C(O)CCC1=NC=CN1 MCULE-8898977198 [2,0,0,0,0,0|2,0,0]=4 402 B10R1.66 O=C(O)CCC1=NC=CO1 MCULE-8621379865 [2,0,0,0,0,0|2,0,0]=4 403 B10R1.66 O=C(O)CCC1=NC=CS1 MCULE-2473180013 [2,0,0,0,0,0|2,0,0]=4 404 B10R1.66 O=C(O)CCC1=NOC=C1 MCULE-7542127444 [2,0,0,0,0,0|2,0,0]=4 405 B10R1.66 O=C(O)CCN1C=CC=N1 MCULE-3245420562 [2,0,0,0,0,0|2,0,0]=4 406 B10R1.66 O=C(O)CCN1C=CC=N1 MCULE-7345461411 [2,0,0,0,0,0|2,0,0]=4 407 B10R1.66 O=C(O)CCN1C=NC=N1 MCULE-5526368399 [2,0,0,0,0,0|1,0,1]=4 408 B10R1.16 CN1C=C(C=N1)CCC=O MCULE-3156424082 [2,0,0,0,0,0|2,0,0]=4 409 B10R1.16 CN1C=C(N=N1)CCCO MCULE-8773129545 [2,0,0,0,0,0|1,0,1]=4 410 B10R1.54 CC(O)CC1=CN(N=N1)C MCULE-1155283413 [2,0,0,0,0,0|2,0,0]=4 411 B10R1.54 CN1C=NC(=C1)CC(=O)O MCULE-3578579487 [2,0,0,0,0,0|1,0,1]=4 412 B10R1.54 CN1C=NC(=C1)CC(=O)O MCULE-5475235258 [2,0,0,0,0,0|1,0,1]=4 413 B12R1.108 CNC(=O)[C@@H](N)CC1=CNC=N1 MCULE-1233604567 [1,1,0,0,0,0|1,0,0]=3 414 B12R1.108 CNC(=O)[C@@H](N)CC1=CNC=N1 MCULE-8735746096 [1,1,0,0,0,0|1,0,0]=3 415 B12R1.108 COC(=O)C(N)CC1=CC=CO1 MCULE-7425094178 [1,1,0,0,0,0|2,0,0]=4 416 B12R1.108 COC(=O)C(N)CC1=CC=CS1 MCULE-6982143720 [1,1,0,0,0,0|2,0,0]=4 417 B12R1.108 COC(=O)C(N)CC1=CC=CS1 MCULE-8387363612 [1,1,0,0,0,0|2,0,0]=4 418 B12R1.108 COC(=O)C(N)CC1=CN=CS1 MCULE-5779450146 [1,1,0,0,0,0|1,0,1]=4 419 B12R1.108 COC(=O)C(N)CC1=CNC=N1 MCULE-1382272909 [1,1,0,0,0,0|0,0,0]=2 420 B12R1.108 COC(=O)C(N)CC1=CNC=N1 MCULE-9468241244 [1,1,0,0,0,0|0,0,0]=2 421 B12R1.108 COC(=O)C(N)CC1=CSC=N1 MCULE-4606210336 [1,1,0,0,0,0|1,0,0]=3 422 B12R1.108 COC(=O)C(N)CN1C=CC=N1 MCULE-8305136483 [1,1,0,0,0,0|2,0,0]=4 423 B12R1.108 COC(=O)C(N)CN1C=CC=N1 MCULE-9392205504 [1,1,0,0,0,0|2,0,0]=4 424 B12R1.108 COC(=O)C(N)CN1C=NC=N1 MCULE-1301127688 [1,1,0,0,0,0|1,0,1]=4 425 B12R1.108 COC(=O)C(N)CN1C=NC=N1 MCULE-7826787752 [1,1,0,0,0,0|1,0,1]=4 426 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CO1 MCULE-4575656185 [1,1,0,0,0,0|2,0,0]=4 427 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CO1 MCULE-7970765227 [1,1,0,0,0,0|2,0,0]=4 428 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CS1 MCULE-2835282356 [1,1,0,0,0,0|2,0,0]=4 429 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CS1 MCULE-3294290797 [1,1,0,0,0,0|2,0,0]=4 430 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CS1 MCULE-5652908593 [1,1,0,0,0,0|2,0,0]=4 431 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CS1 MCULE-9022594551 [1,1,0,0,0,0|2,0,0]=4 432 B12R1.108 COC(=O)[C@@H](N)CC1=CNC=N1 MCULE-2089031152 [1,1,0,0,0,0|0,0,0]=2 433 B12R1.108 COC(=O)[C@@H](N)CC1=CNC=N1 MCULE-3117511084 [1,1,0,0,0,0|0,0,0]=2 434 B12R1.108 COC(=O)[C@@H](N)CC1=CNC=N1 MCULE-6830070848 [1,1,0,0,0,0|0,0,0]=2 435 B12R1.108 COC(=O)[C@@H](N)CC1=CNC=N1 MCULE-7101749470 [1,1,0,0,0,0|0,0,0]=2 436 B12R1.108 COC(=O)[C@@H](N)CC1=CNC=N1 MCULE-8175090296 [1,1,0,0,0,0|0,0,0]=2 437 B12R1.108 COC(=O)[C@@H](N)CC1=CNN=C1 MCULE-5389770220 [1,1,0,0,0,0|2,0,0]=4 438 B12R1.108 COC(=O)[C@@H](N)CC1=CSC=C1 MCULE-6133111889 [1,1,0,0,0,0|2,0,0]=4 439 B12R1.108 COC(=O)[C@@H](N)CC1=CSC=C1 MCULE-8476662966 [1,1,0,0,0,0|2,0,0]=4 440 B12R1.108 COC(=O)[C@@H](N)CC1=CSC=C1 MCULE-8593400048 [1,1,0,0,0,0|2,0,0]=4 441 B12R1.108 COC(=O)[C@@H](N)CC1=NC=CS1 MCULE-1408218386 [1,1,0,0,0,0|2,0,0]=4 442 B12R1.108 COC(=O)[C@H](N)CC1=CC=CS1 MCULE-4014114104 [1,1,0,0,0,0|2,0,0]=4 443 B12R1.108 COC(=O)[C@H](N)CC1=CNC=N1 MCULE-3243651519 [1,1,0,0,0,0|0,0,0]=2 444 B12R1.108 COC(=O)[C@H](N)CC1=CNC=N1 MCULE-5122189343 [1,1,0,0,0,0|0,0,0]=2 445 B12R1.108 COC(=O)[C@H](N)CC1=CNC=N1 MCULE-6260177060 [1,1,0,0,0,0|0,0,0]=2 446 B12R1.108 COC(=O)[C@H](N)CC1=CNC=N1 MCULE-8406890275 [1,1,0,0,0,0|0,0,0]=2 447 B12R1.108 COC(=O)[C@H](N)CC1=CNN=C1 MCULE-6535862144 [1,1,0,0,0,0|2,0,0]=4 448 B12R1.108 COC(=O)[C@H](N)CC1=CSC=C1 MCULE-1233246484 [1,1,0,0,0,0|2,0,0]=4 449 B12R1.108 COC(=O)[C@H](N)CC1=NC=CS1 MCULE-1914931563 [1,1,0,0,0,0|2,0,0]=4 450 B12R1.108 [C@@H](N)(CC1=CNC=N1)C(=O)OC MCULE-1504920942 [1,1,0,0,0,0|0,0,0]=2 451 B12R1.108 [C@@H](N)(CC1=CNC=N1)C(=O)OC MCULE-3487476144 [1,1,0,0,0,0|0,0,0]=2 452 B12R1.108 [NH2+]1C=NC(=C1)CC(C(=O)OC)[NH3+] MCULE-5080231571 [1,1,0,0,0,0|0,0,2]=4 453 B12R1.120 C(N)(C(=O)O)C(O)C1=CC=CS1 MCULE-5580590169 [1,1,0,0,0,0|2,0,0]=4 454 B12R1.120 NC(C(=O)O)C(O)C1=CC=CO1 MCULE-8288781221 [1,1,0,0,0,0|2,0,0]=4 455 B12R1.120 N[C@H](C(=O)O)C(O)C1=CC=CS1 MCULE-6901102382 [1,1,0,0,0,0|2,0,0]=4 456 B12R1.145 CC1=C(SC=C1)CC(N)C(=O)O MCULE-6046203051 [1,1,0,0,0,0|2,0,0]=4 457 B12R1.145 CC1=C(SC=N1)CC(N)C(=O)O MCULE-4057990716 [1,1,0,0,0,0|1,0,1]=4 458 B12R1.145 CN1C=CN=C1CC(N)C(=O)O MCULE-3034963823 [1,1,0,0,0,0|2,0,0]=4 459 B12R1.145 CN1C=NC=C1CC(N)C(=O)O MCULE-1761463456 [1,1,0,0,0,0|0,0,2]=4 460 B12R1.145 CN1C=NC=C1CC(N)C(=O)O MCULE-8928603063 [1,1,0,0,0,0|0,0,2]=4 461 B12R1.145 CN1C=NC=C1C[C@@H](N)C(=O)O MCULE-6549131401 [1,1,0,0,0,0|0,0,2]=4 462 B12R1.145 CN1C=NC=C1C[C@@H](N)C(=O)O MCULE-7888445981 [1,1,0,0,0,0|0,0,2]=4 463 B12R1.145 CN1C=NC=C1C[C@H](N)C(=O)O MCULE-4604416706 [1,1,0,0,0,0|0,0,2]=4 464 B12R1.145 CN1C=NC=C1C[C@H](N)C(=O)O MCULE-9852133553 [1,1,0,0,0,0|0,0,2]=4 465 B12R1.145 NC(CC1=C(N=CN1)F)C(=O)O MCULE-7082079488 [1,1,0,0,0,0|0,0,2]=4 466 B12R1.145 N[C@@H](CC1=C(N=CN1)F)C(=O)O MCULE-8451688674 [1,1,0,0,0,0|0,0,2]=4 467 B12R1.145 N[C@H](CC1=C(N=CN1)F)C(=O)O MCULE-6441017949 [1,1,0,0,0,0|0,0,2]=4 468 B12R1.298 CNC(CC1=CNC=N1)C(=O)O MCULE-3468413328 [1,1,0,0,0,0|0,0,0]=2 469 B12R1.298 CNC(CC1=CNC=N1)C(=O)O MCULE-5120111645 [1,1,0,0,0,0|0,0,0]=2 470 B12R1.298 CNC(CC1=CNC=N1)C(=O)O MCULE-9037833083 [1,1,0,0,0,0|0,0,0]=2 471 B12R1.298 CNC(CN1C=CC=N1)C(=O)O MCULE-2312037192 [1,1,0,0,0,0|2,0,0]=4 472 B12R1.298 CN[C@@H](CC1=CNC=N1)C(=O)O MCULE-2344748112 [1,1,0,0,0,0|0,0,0]=2 473 B12R1.298 CN[C@@H](CC1=CNC=N1)C(=O)O MCULE-3787836793 [1,1,0,0,0,0|0,0,0]=2 474 B12R1.298 CN[C@@H](CC1=CNC=N1)C(=O)O MCULE-4956436206 [1,1,0,0,0,0|0,0,0]=2 475 B12R1.298 CN[C@@H](CC1=CNC=N1)C(=O)O MCULE-6672172984 [1,1,0,0,0,0|0,0,0]=2 476 B12R1.298 CN[C@@H](CC1=CSC=N1)C(=O)O MCULE-4087378294 [1,1,0,0,0,0|1,0,0]=3 477 B12R1.298 CN[C@H](CC1=CNC=N1)C(=O)O MCULE-1286452065 [1,1,0,0,0,0|0,0,0]=2 478 B12R1.298 CN[C@H](CC1=CNC=N1)C(=O)O MCULE-6136956486 [1,1,0,0,0,0|0,0,0]=2 479 B12R1.298 CN[C@H](CC1=CNC=N1)C(=O)O MCULE-6660467173 [1,1,0,0,0,0|0,0,0]=2 480 B12R1.298 CN[C@H](CC1=CNC=N1)C(=O)O MCULE-8650714391 [1,1,0,0,0,0|0,0,0]=2 481 B12R1.298 NNC(CC1=CN=CN1)C(=O)O MCULE-2772979578 [1,1,0,0,0,0|0,0,2]=4 482 B12R1.1373 CC(N)(CC1=CNC=N1)C(=O)O MCULE-3037820078 [1,1,0,0,0,0|0,0,0]=2 483 B12R1.1373 CC(N)(CC1=CNC=N1)C(=O)O MCULE-6308670546 [1,1,0,0,0,0|0,0,0]=2 484 B12R1.1373 CC(N)(CN1C=CC=N1)C(=O)O MCULE-5320054225 [1,1,0,0,0,0|2,0,0]=4 485 B12R1.1373 CC(N)(CN1C=CC=N1)C(=O)O MCULE-6617682254 [1,1,0,0,0,0|2,0,0]=4 486 B12R1.1373 CC(N)(CN1C=NC=N1)C(=O)O MCULE-1504258279 [1,1,0,0,0,0|1,0,1]=4 487 B12R1.1373 CC(N)(CN1C=NC=N1)C(=O)O MCULE-5903271495 [1,1,0,0,0,0|1,0,1]=4 488 B12R1.26 COC(=O)CCC1=CN(N=C1)C MCULE-4020724710 [1,1,0,0,0,0|2,0,0]=4 489 B12R1.26 COC(=O)CCN1C=C(C=N1)C MCULE-9632069944 [1,1,0,0,0,0|2,0,0]=4 490 B12R1.59 CCN1C=C(C=N1)CCC(=O)O MCULE-1106962310 [1,1,0,0,0,0|2,0,0]=4 491 B12R1.59 CCN1C=CC(=N1)CCC(=O)O MCULE-6883292411 [1,1,0,0,0,0|2,0,0]=4 492 B12R1.103 CC(CC(=O)O)C1=CN(N=C1)C MCULE-6859688811 [1,1,0,0,0,0|2,0,0]=4 493 B12R1.103 CC1=CN(N=C1)C(C)CC(=O)O MCULE-6709408809 [1,1,0,0,0,0|2,0,0]=4 494 B12R1.110 CC1=C(OC(=N1)CCC(=O)O)C MCULE-7669233199 [1,1,0,0,0,0|2,0,0]=4 495 B12R1.110 CC1=CC(=NN1C)CCC(=O)O MCULE-2416061825 [1,1,0,0,0,0|2,0,0]=4 496 B12R1.110 CC1=CN(N=C1C)CCC(=O)O MCULE-3362774837 [1,1,0,0,0,0|2,0,0]=4 497 B12R1.110 CN1N=C(C=C1F)CCC(=O)O MCULE-1579763494 [1,1,0,0,0,0|2,0,0]=4 498 B12R1.861 CC1=NN(C=C1CCC(=O)O)C MCULE-4734589602 [1,1,0,0,0,0|2,0,0]=4 499 B12R1.861 CN1C=C(C(=N1)CCC(=O)O)Br MCULE-8462016013 [1,1,0,0,0,0|2,0,0]=4 500 B12R1.861 CN1C=C(C(=N1)CCC(=O)O)Cl MCULE-4804442462 [1,1,0,0,0,0|2,0,0]=4 501 B12R1.870 CC1=C(C=NN1C)CCC(=O)O MCULE-6409681935 [1,1,0,0,0,0|2,0,0]=4 502 B12R1.870 CN1C=NN(C1=O)CCC(=O)O MCULE-8369123899 [1,1,0,0,0,0|1,0,0]=3 503 B12R1.472 CNC(C(=O)O)C1=CN(N=C1)C MCULE-6622517394 [0,1,0,0,1,0|2,0,0]=4 504 B12R1.869 CC1=C(C=NN1C)C(N)C(=O)O MCULE-1504644845 [0,1,0,0,1,0|2,0,0]=4 505 B14R1.3 CCC1=CC=C(C=C1)CC(N)C(=O)O MCULE-7690560565 [0,1,0,0,0,1|2,0,0]=4 506 B14R1.3 CCC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-1435129050 [0,1,0,0,0,1|2,0,0]=4 507 B14R1.3 CCC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-4566380869 [0,1,0,0,0,1|2,0,0]=4 508 B14R1.3 CCC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-5659780827 [0,1,0,0,0,1|2,0,0]=4 509 B14R1.3 CCC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-3694773827 [0,1,0,0,0,1|2,0,0]=4 510 B14R1.3 CCC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-8607327458 [0,1,0,0,0,1|2,0,0]=4 511 B14R1.3 COC1=CC=C(C=C1)CC(N)C(=O)O MCULE-7401424887 [0,1,0,0,0,1|2,0,0]=4 512 B14R1.3 COC1=CC=C(C=C1)CC(N)C(=O)O MCULE-8554887653 [0,1,0,0,0,1|2,0,0]=4 513 B14R1.3 COC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-2276110349 [0,1,0,0,0,1|2,0,0]=4 514 B14R1.3 COC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-2601900678 [0,1,0,0,0,1|2,0,0]=4 515 B14R1.3 COC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-2987428820 [0,1,0,0,0,1|2,0,0]=4 516 B14R1.3 COC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-9469633282 [0,1,0,0,0,1|2,0,0]=4 517 B14R1.3 COC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-6625925075 [0,1,0,0,0,1|2,0,0]=4 518 B14R1.3 COC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-8125565254 [0,1,0,0,0,1|2,0,0]=4 519 B14R1.3 CSC1=CC=C(C=C1)CC(N)C(=O)O MCULE-6278962041 [0,1,0,0,0,1|2,0,0]=4 520 B14R1.3 CSC1=CC=C(C=C1)CC(N)C(=O)O MCULE-9887520668 [0,1,0,0,0,1|2,0,0]=4 521 B14R1.3 NC(CC1=CC=C(C=C1)CO)C(=O)O MCULE-3608351255 [0,1,0,0,0,1|2,0,0]=4 522 B14R1.3 NC(CC1=CC=C(C=C1)CO)C(=O)O MCULE-6159646419 [0,1,0,0,0,1|2,0,0]=4 523 B14R1.3 NCC1=CC=C(C=C1)CC(N)C(=O)O MCULE-6360591560 [0,1,0,0,0,1|2,0,0]=4 524 B14R1.3 NCC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-5019687348 [0,1,0,0,0,1|2,0,0]=4 525 B14R1.3 NCC1=CC=C(C=C1)C[C@@H](N)C(=O)O MCULE-9173684952 [0,1,0,0,0,1|2,0,0]=4 526 B14R1.3 NCC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-3908937850 [0,1,0,0,0,1|2,0,0]=4 527 B14R1.3 NCC1=CC=C(C=C1)C[C@H](N)C(=O)O MCULE-7207044550 [0,1,0,0,0,1|2,0,0]=4 528 B14R1.3 N[C@@H](CC1=CC=C(C=C1)CO)C(=O)O MCULE-7079640926 [0,1,0,0,0,1|2,0,0]=4 529 B14R1.3 N[C@@H](CC1=CC=C(C=C1)CO)C(=O)O MCULE-7607638377 [0,1,0,0,0,1|2,0,0]=4 530 B14R1.3 N[C@@H](CC1=CC=C(C=C1)CO)C(=O)O MCULE-9438903936 [0,1,0,0,0,1|2,0,0]=4 531 B14R1.3 N[C@@H](CC1=CC=C(C=C1)CO)C(=O)O MCULE-9488539878 [0,1,0,0,0,1|2,0,0]=4 532 B14R1.3 N[C@H](CC1=CC=C(C=C1)CO)C(=O)O MCULE-8826940922 [0,1,0,0,0,1|2,0,0]=4 533 B14R1.3 [C@H](N)(CC1=CC=C(C=C1)OC)C(=O)O MCULE-9599742463 [0,1,0,0,0,1|2,0,0]=4 534 B14R1.134 COC(=O)C(N)CC1=NC=C(C=C1)Br MCULE-1812810082 [0,1,0,0,0,1|2,0,0]=4 535 B14R1.134 COC(=O)C(N)CC1=NC=C(C=C1)Br MCULE-2426735865 [0,1,0,0,0,1|2,0,0]=4 536 B14R1.134 COC(=O)C(N)CC1=NC=C(C=C1)C MCULE-1627995430 [0,1,0,0,0,1|1,0,0]=3 537 B14R1.134 COC(=O)C(N)CC1=NC=C(C=C1)C MCULE-2880018302 [0,1,0,0,0,1|1,0,0]=3 538 B14R1.134 COC(=O)C(N)CC1=NC=C(C=C1)C MCULE-8561758172 [0,1,0,0,0,1|1,0,0]=3 539 B14R1.134 COC(=O)C(N)CC1=NC=C(C=C1)C MCULE-9752820537 [0,1,0,0,0,1|1,0,0]=3 540 B14R1.134 COC(=O)C(N)CC1=NC=C(C=C1)Cl MCULE-1056382674 [0,1,0,0,0,1|2,0,0]=4 541 B14R1.134 COC(=O)C(N)CC1=NC=C(C=C1)Cl MCULE-2812240661 [0,1,0,0,0,1|2,0,0]=4 542 B14R1.134 COC(=O)C(N)CC1=NC=C(C=C1)Cl MCULE-4453509131 [0,1,0,0,0,1|2,0,0]=4 543 B14R1.134 COC(=O)C(N)CC1=NC=C(C=C1)Cl MCULE-9245799286 [0,1,0,0,0,1|2,0,0]=4 544 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(C=C1)C MCULE-3508969395 [0,1,0,0,0,1|2,0,0]=4 545 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(C=N1)N MCULE-1328382406 [0,1,0,0,0,1|2,0,0]=4 546 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C=C1)Br MCULE-3347873646 [0,1,0,0,0,1|2,0,0]=4 547 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C=C1)Br MCULE-5010999008 [0,1,0,0,0,1|2,0,0]=4 548 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C=C1)Br MCULE-5302238686 [0,1,0,0,0,1|2,0,0]=4 549 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C=C1)Br MCULE-5700103721 [0,1,0,0,0,1|2,0,0]=4 550 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C=C1)Br MCULE-7665487974 [0,1,0,0,0,1|2,0,0]=4 551 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C=C1)C MCULE-4762729046 [0,1,0,0,0,1|1,0,0]=3 552 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C=C1)C MCULE-6264124334 [0,1,0,0,0,1|1,0,0]=3 553 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C=C1)C MCULE-7922080289 [0,1,0,0,0,1|1,0,0]=3 554 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C=C1)C MCULE-9922952846 [0,1,0,0,0,1|1,0,0]=3 555 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C=C1)Cl MCULE-2366181072 [0,1,0,0,0,1|2,0,0]=4 556 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C=C1)Cl MCULE-2760247057 [0,1,0,0,0,1|2,0,0]=4 557 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C=C1)Cl MCULE-2923371127 [0,1,0,0,0,1|2,0,0]=4 558 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C=C1)Cl MCULE-3840225952 [0,1,0,0,0,1|2,0,0]=4 559 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(C=C1)C MCULE-1534800369 [0,1,0,0,0,1|2,0,0]=4 560 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(C=N1)N MCULE-2915930027 [0,1,0,0,0,1|2,0,0]=4 561 B14R1.536 CC1=CC=C(C=C1)CC(CN)C(=O)O MCULE-1451782887 [0,1,0,0,0,1|2,0,0]=4 562 B14R1.536 CNC(CC1=CC=C(C=C1)C)C(=O)O MCULE-3868754382 [0,1,0,0,0,1|2,0,0]=4 563 B14R1.686 CC1=C(C=C(C=C1)CC(N)C(=O)O)C MCULE-1439517832 [0,1,0,0,0,1|2,0,0]=4 564 B14R1.686 CC1=C(C=C(C=C1)CC(N)C(=O)O)C MCULE-1710593369 [0,1,0,0,0,1|2,0,0]=4 565 B14R1.686 CC1=CC=C(C=C1C)C[C@H](N)C(=O)O MCULE-4068626034 [0,1,0,0,0,1|2,0,0]=4 566 B14R1.686 CC1=CC=C(C=C1F)CC(N)C(=O)O MCULE-7233171438 [0,1,0,0,0,1|2,0,0]=4 567 B14R1.6049 CC1=CC(=C(C=C1)CC(N)C(=O)O)Br MCULE-8346800201 [0,1,0,0,0,1|2,0,0]=4 568 B14R1.6049 CC1=CC(=C(C=C1)CC(N)C(=O)O)Cl MCULE-4640242910 [0,1,0,0,0,1|2,0,0]=4 569 B14R1.6049 CC1=CC(=C(C=C1)C[C@@H](N)C(=O)O)F MCULE-5807965189 [0,1,0,0,0,1|2,0,0]=4 570 B14R1.6049 CC1=CC(=C(C=C1)C[C@H](N)C(=O)O)C MCULE-6159563785 [0,1,0,0,0,1|2,0,0]=4 571 B14R1.6049 CC1=CC(=C(C=C1)C[C@H](N)C(=O)O)F MCULE-7582261370 [0,1,0,0,0,1|2,0,0]=4 572 B14R1.6049 CC1=CC=C(C(=C1)C)CC(N)C(=O)O MCULE-8036731257 [0,1,0,0,0,1|2,0,0]=4 573 B14R1.6049 CC1=CC=C(C(=C1)C)C[C@@H](N)C(=O)O MCULE-2678912652 [0,1,0,0,0,1|2,0,0]=4 574 B14R1.6049 CC1=CC=C(C(=C1)C)C[C@@H](N)C(=O)O MCULE-4617067389 [0,1,0,0,0,1|2,0,0]=4 575 B14R1.6049 CC1=CC=C(C(=C1)C)C[C@H](N)C(=O)O MCULE-2182724258 [0,1,0,0,0,1|2,0,0]=4 576 B14R1.6049 CC1=CC=C(C(=C1)C)C[C@H](N)C(=O)O MCULE-2493165040 [0,1,0,0,0,1|2,0,0]=4 577 B14R1.6049 CC1=CC=C(C(=C1)C)C[C@H](N)C(=O)O MCULE-8954624870 [0,1,0,0,0,1|2,0,0]=4 578 B14R1.6049 CC1=CC=C(C(=C1)F)CC(N)C(=O)O MCULE-4036470152 [0,1,0,0,0,1|2,0,0]=4 579 B14R1.75 CCC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-6495224495 [0,1,0,0,0,1|2,0,0]=4 580 B14R1.75 COC1=CC(=CC=C1)CC(N)C(=O)O MCULE-3731587721 [0,1,0,0,0,1|2,0,0]=4 581 B14R1.75 COC1=CC(=CC=C1)CC(N)C(=O)O MCULE-3797381171 [0,1,0,0,0,1|2,0,0]=4 582 B14R1.75 COC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-6569907927 [0,1,0,0,0,1|2,0,0]=4 583 B14R1.75 COC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-6699006363 [0,1,0,0,0,1|2,0,0]=4 584 B14R1.75 COC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-3040569666 [0,1,0,0,0,1|2,0,0]=4 585 B14R1.75 COC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-8175897978 [0,1,0,0,0,1|2,0,0]=4 586 B14R1.75 COC1=CC(=CN=C1)CC(C)C(=O)O MCULE-9761723183 [0,1,0,0,0,1|2,0,0]=4 587 B14R1.75 COC1=CC=CC(=C1)C[C@H](N)C(=O)O MCULE-9516373119 [0,1,0,0,0,1|2,0,0]=4 588 B14R1.75 NCC1=CC(=CC=C1)CC(N)C(=O)O MCULE-7324682378 [0,1,0,0,0,1|2,0,0]=4 589 B14R1.75 NCC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-7251583706 [0,1,0,0,0,1|2,0,0]=4 590 B14R1.75 NCC1=CC(=CC=C1)C[C@@H](N)C(=O)O MCULE-9051060471 [0,1,0,0,0,1|2,0,0]=4 591 B14R1.75 NCC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-2600156569 [0,1,0,0,0,1|2,0,0]=4 592 B14R1.75 NCC1=CC(=CC=C1)C[C@H](N)C(=O)O MCULE-6774442569 [0,1,0,0,0,1|2,0,0]=4 593 B14R1.135 COC(=O)C(N)CC1=CC(=CC=C1)C MCULE-7175213932 [0,1,0,0,0,1|2,0,0]=4 594 B14R1.135 COC(=O)C(N)CC1=CC(=CN=C1)Cl MCULE-4187236120 [0,1,0,0,0,1|2,0,0]=4 595 B14R1.135 COC(=O)[C@@H](N)CC1=CC(=CC=C1)C MCULE-4798469260 [0,1,0,0,0,1|2,0,0]=4 596 B14R1.135 COC(=O)[C@@H](N)CC1=CC(=CN=C1)Cl MCULE-8700435886 [0,1,0,0,0,1|2,0,0]=4 597 B14R1.135 COC(=O)[C@@H](N)CC1=CC(=CN=C1)N MCULE-6275202622 [0,1,0,0,0,1|2,0,0]=4 598 B14R1.135 COC(=O)[C@H](N)CC1=CC(=CC=C1)C MCULE-6683322294 [0,1,0,0,0,1|2,0,0]=4 599 B14R1.135 COC(=O)[C@H](N)CC1=CC(=CN=C1)Cl MCULE-1104959866 [0,1,0,0,0,1|2,0,0]=4 600 B14R1.135 COC(=O)[C@H](N)CC1=CC(=CN=C1)Cl MCULE-1518720090 [0,1,0,0,0,1|2,0,0]=4 601 B14R1.135 COC(=O)[C@H](N)CC1=CC(=CN=C1)Cl MCULE-2188454067 [0,1,0,0,0,1|2,0,0]=4 602 B14R1.135 COC(=O)[C@H](N)CC1=CC(=CN=C1)Cl MCULE-9374254925 [0,1,0,0,0,1|2,0,0]=4 603 B14R1.135 COC(=O)[C@H](N)CC1=CC(=CN=C1)N MCULE-6317180831 [0,1,0,0,0,1|2,0,0]=4 604 B14R1.153 CC1=C(C(=CC=C1)CC(N)C(=O)O)C MCULE-3940240038 [0,1,0,0,0,1|2,0,0]=4 605 B14R1.153 CC1=C(C(=CC=C1)C[C@@H](N)C(=O)O)C MCULE-6327282345 [0,1,0,0,0,1|2,0,0]=4 606 B14R1.153 CC1=C(C(=CC=C1)C[C@H](N)C(=O)O)C MCULE-5569595272 [0,1,0,0,0,1|2,0,0]=4 607 B14R1.542 CC1=CC(=CC=C1)CC(CN)C(=O)O MCULE-7762164117 [0,1,0,0,0,1|2,0,0]=4 608 B14R1.4257 CC1=CC(=CC(=C1)CC(N)C(=O)O)C MCULE-8902568945 [0,1,0,0,0,1|2,0,0]=4 609 B14R1.4257 CC1=CC(=CC(=C1)CC(N)C(=O)O)C MCULE-9768457691 [0,1,0,0,0,1|2,0,0]=4 610 B14R1.4257 CC1=CC(=CC(=C1)CC(N)C(=O)O)F MCULE-2393548774 [0,1,0,0,0,1|2,0,0]=4 611 B14R1.4257 CC1=CC(=CC(=C1)C[C@H](N)C(=O)O)C MCULE-1991589010 [0,1,0,0,0,1|2,0,0]=4 612 B14R1.4257 CC1=CC(=CC(=C1)C[C@H](N)C(=O)O)C MCULE-4295917135 [0,1,0,0,0,1|2,0,0]=4 613 B14R1.4257 CC1=CC(=CC(=C1)C[C@H](N)C(=O)O)C MCULE-7401931376 [0,1,0,0,0,1|2,0,0]=4 614 B14R1.4257 CC1=CC(=CC(=C1)C[C@H](N)C(=O)O)C MCULE-8739609774 [0,1,0,0,0,1|2,0,0]=4 615 B14R1.4474 CC1=CC(=C(C=C1)F)CC(N)C(=O)O MCULE-9435916165 [0,1,0,0,0,1|2,0,0]=4 616 B14R1.4474 CC1=CC=C(C(=C1)CC(N)C(=O)O)C MCULE-9922816243 [0,1,0,0,0,1|2,0,0]=4 617 B14R1.3552 CCN1C=C(C(=N1)C)CC(N)C(=O)O MCULE-6900079663 [0,2,0,0,0,0|2,0,0]=4 618 B14R1.3552 CCN1C=C(C(=N1)C)CC(N)C(=O)O MCULE-7618535921 [0,2,0,0,0,0|2,0,0]=4 619 B14R1.1030 COC(=O)C(CN)CC1=CN(N=C1)C MCULE-4964430589 [0,2,0,0,0,0|2,0,0]=4 620 B14R1.1030 COC(=O)C(CN)CC1=CN(N=C1)C MCULE-9468397586 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O MCULE-2466401514 [0,0,1,1,0,0|1,0,1]=4 622 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O MCULE-7994000866 [0,0,1,1,0,0|1,0,1]=4 623 B12R1.43 NC(CC1=NC=NC=C1)C(=O)O MCULE-3627790030 [0,0,1,1,0,0|2,0,0]=4 624 B12R1.43 NC(CC1=NC=NC=C1)C(=O)O MCULE-8971528550 [0,0,1,1,0,0|2,0,0]=4 625 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O MCULE-1225994987 [0,0,1,1,0,0|1,0,1]=4 626 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O MCULE-1559053573 [0,0,1,1,0,0|1,0,1]=4 627 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O MCULE-2320178150 [0,0,1,1,0,0|1,0,1]=4 628 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O MCULE-2767701043 [0,0,1,1,0,0|1,0,1]=4 629 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O MCULE-3184854322 [0,0,1,1,0,0|1,0,1]=4 630 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O MCULE-5316652497 [0,0,1,1,0,0|1,0,1]=4 631 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O MCULE-8407561976 [0,0,1,1,0,0|1,0,1]=4 632 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CNC=N2 MCULE-3430818972 [1,0,0,1,0,0|1,0,0]=3 633 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2=CNC=N2 MCULE-6157324496 [1,0,0,1,0,0|1,0,0]=3 634 B12R2.132 CN1C=NC2=C1CC(=O)OC2 MCULE-6598590056 [1,0,0,1,0,0|2,0,0]=4 635 B14R2.24358 CN1C=NC2=C1CC(NC2)C(=O)O MCULE-3342514662 [0,0,0,1,0,1|1,0,0]=3 636 B14R2.24358 CN1C=NC2=C1CC(NC2)C(=O)O MCULE-4086170144 [0,0,0,1,0,1|1,0,0]=3 637 B14R2.24358 CN1N=NC2=C1CC(CC2)C(=O)O MCULE-4219646772 [0,0,0,1,0,1|2,0,0]=4 638 B14R2.5719 CN1C=CC2=C1CCC(C2)C(=O)O MCULE-2556969788 [0,1,0,1,0,0|2,0,0]=4 639 B14R2.5719 CN1C=NC2=C1CCC(C2)C(=O)O MCULE-6970080633 [0,1,0,1,0,0|1,0,0]=3 640 B14R2.5719 CN1C=NC2=C1CCC(C2)C(=O)O MCULE-8869238324 [0,1,0,1,0,0|1,0,0]=3 641 B14R2.5719 CN1N=NC2=C1CCC(C2)C(=O)O MCULE-5604227945 [0,1,0,1,0,0|2,0,0]=4 642 B10R1.23 C(N)(C(=O)O)C1=CC=CS1 MCULE-1250665795 [1,0,0,0,1,0|2,0,0]=4 643 B10R1.23 NC(C(=O)O)C1=CC=CO1 MCULE-9043644841 [1,0,0,0,1,0|2,0,0]=4 644 B10R1.23 NC(C(=O)O)C1=CC=CS1 MCULE-2621741244 [1,0,0,0,1,0|2,0,0]=4 645 B10R1.23 NC(C(=O)O)C1=CNN=C1 MCULE-5361903799 [1,0,0,0,1,0|2,0,0]=4 646 B10R1.23 NC(C(=O)O)C1=COC=C1 MCULE-7814394097 [1,0,0,0,1,0|2,0,0]=4 647 B10R1.23 NC(C(=O)O)C1=CSC=C1 MCULE-1102402224 [1,0,0,0,1,0|2,0,0]=4 648 B10R1.23 NC(C(=O)O)C1=CSC=C1 MCULE-6018523481 [1,0,0,0,1,0|2,0,0]=4 649 B10R1.23 NC(C(=O)O)C1=CSC=C1 MCULE-8080979991 [1,0,0,0,1,0|2,0,0]=4 650 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 MCULE-5616654577 [1,0,0,0,1,0|2,0,0]=4 651 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 MCULE-8589130349 [1,0,0,0,1,0|2,0,0]=4 652 B10R1.23 N[C@@H](C(=O)O)C1=CSC=C1 MCULE-6987247145 [1,0,0,0,1,0|2,0,0]=4 653 B10R1.23 N[C@@H](C(=O)O)C1=CSC=C1 MCULE-8041766294 [1,0,0,0,1,0|2,0,0]=4 654 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 MCULE-6119385757 [1,0,0,0,1,0|2,0,0]=4 655 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 MCULE-8662100722 [1,0,0,0,1,0|2,0,0]=4 656 B10R1.23 N[C@H](C(=O)O)C1=CSC=C1 MCULE-3946730105 [1,0,0,0,1,0|2,0,0]=4 657 B10R1.23 N[C@H](C(=O)O)C1=CSC=C1 MCULE-5706986594 [1,0,0,0,1,0|2,0,0]=4 658 B10R1.23 O=C(O)C(=O)C1=CNC=N1 MCULE-8916685899 [1,0,0,0,1,0|1,0,1]=4 659 B10R1.23 O=C(O)C(O)C1=CNC=N1 MCULE-3158873766 [1,0,0,0,1,0|1,0,0]=3 660 B10R1.23 O=C(O)C(O)C1=CNC=N1 MCULE-5031403061 [1,0,0,0,1,0|1,0,0]=3 661 B12R1.260 NC(CC(=O)O)CC1=CC=CO1 MCULE-4305476704 [1,0,0,0,0,1|2,0,0]=4 662 B12R1.260 NC(CC(=O)O)CC1=CC=CS1 MCULE-1845608833 [1,0,0,0,0,1|2,0,0]=4 663 B12R1.260 NC(CC(=O)O)CC1=CC=CS1 MCULE-9790060982 [1,0,0,0,0,1|2,0,0]=4 664 B12R1.260 NC(CC(=O)O)CC1=CSC=C1 MCULE-2015108408 [1,0,0,0,0,1|2,0,0]=4 665 B12R1.260 NC(CC(=O)O)CC1=CSC=C1 MCULE-3927224923 [1,0,0,0,0,1|2,0,0]=4 666 B12R1.260 N[C@@H](CC(=O)O)CC1=CC=CO1 MCULE-2795775303 [1,0,0,0,0,1|2,0,0]=4 667 B12R1.260 N[C@@H](CC(=O)O)CC1=CC=CS1 MCULE-1088707523 [1,0,0,0,0,1|2,0,0]=4 668 B12R1.260 N[C@@H](CC(=O)O)CC1=CC=CS1 MCULE-3654310109 [1,0,0,0,0,1|2,0,0]=4 669 B12R1.260 N[C@@H](CC(=O)O)CC1=CC=CS1 MCULE-8289125524 [1,0,0,0,0,1|2,0,0]=4 670 B12R1.260 N[C@@H](CC(=O)O)CC1=CC=CS1 MCULE-8671246375 [1,0,0,0,0,1|2,0,0]=4 671 B12R1.260 N[C@@H](CC(=O)O)CC1=CSC=C1 MCULE-2108707344 [1,0,0,0,0,1|2,0,0]=4 672 B12R1.260 N[C@@H](CC(=O)O)CC1=CSC=C1 MCULE-3736456892 [1,0,0,0,0,1|2,0,0]=4 673 B12R1.260 N[C@@H](CC(=O)O)CC1=CSC=C1 MCULE-4800211250 [1,0,0,0,0,1|2,0,0]=4 674 B12R1.260 N[C@@H](CC(=O)O)CC1=CSC=C1 MCULE-5605183606 [1,0,0,0,0,1|2,0,0]=4 675 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 MCULE-3040009628 [1,0,0,0,0,1|2,0,0]=4 676 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 MCULE-6537016762 [1,0,0,0,0,1|2,0,0]=4 677 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 MCULE-7106321565 [1,0,0,0,0,1|2,0,0]=4 678 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CS1 MCULE-1090315375 [1,0,0,0,0,1|2,0,0]=4 679 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CS1 MCULE-1963711592 [1,0,0,0,0,1|2,0,0]=4 680 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CS1 MCULE-2441525494 [1,0,0,0,0,1|2,0,0]=4 681 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CS1 MCULE-5323841763 [1,0,0,0,0,1|2,0,0]=4 682 B12R1.260 N[C@H](CC(=O)O)CC1=CSC=C1 MCULE-1375949973 [1,0,0,0,0,1|2,0,0]=4 683 B12R1.260 N[C@H](CC(=O)O)CC1=CSC=C1 MCULE-1481519275 [1,0,0,0,0,1|2,0,0]=4 684 B12R1.260 N[C@H](CC(=O)O)CC1=CSC=C1 MCULE-1711849337 [1,0,0,0,0,1|2,0,0]=4 685 B12R1.260 N[C@H](CC(=O)O)CC1=CSC=C1 MCULE-6560082822 [1,0,0,0,0,1|2,0,0]=4 686 B12R1.264 NC(CSC1=CC=CS1)C(=O)O MCULE-1034881546 [1,0,0,0,0,1|2,0,0]=4 687 B12R1.264 NC(CSC1=NC=CS1)C(=O)O MCULE-4673937684 [1,0,0,0,0,1|2,0,0]=4 688 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O MCULE-3130199239 [1,0,0,0,0,1|2,0,0]=4 689 B12R1.21 CC1=CC=C(C=N1)CCC(=O)O MCULE-2456319798 [1,0,0,0,0,1|2,0,0]=4 690 B12R1.21 CC1=CN=C(C=C1)CCC(=O)O MCULE-5456784327 [1,0,0,0,0,1|1,0,0]=3 691 B12R1.21 NC1=CN=C(C=C1)CCC(=O)O MCULE-9677931320 [1,0,0,0,0,1|2,0,0]=4 692 B12R1.21 O=C(O)CCC1=NC=C(C=C1)Br MCULE-7064440494 [1,0,0,0,0,1|2,0,0]=4 693 B12R1.21 O=C(O)CCC1=NC=C(C=N1)F MCULE-8588248375 [1,0,0,0,0,1|2,0,0]=4 694 B12R1.105 CC1=CC(=NO1)COCC(=O)O MCULE-6510619416 [1,0,0,0,0,1|2,0,0]=4 695 B12R1.105 CC1=CC(=NO1)CSCC(=O)O MCULE-7409336877 [1,0,0,0,0,1|2,0,0]=4 696 B12R1.105 CC1=CC(=NO1)NCCC(=O)O MCULE-8771631045 [1,0,0,0,0,1|2,0,0]=4 697 B12R1.105 CC1=CN(N=C1)CCCC(=O)O MCULE-9687961819 [1,0,0,0,0,1|2,0,0]=4 698 B12R1.105 CC1=CN(N=C1)CSCC(=O)O MCULE-7293238329 [1,0,0,0,0,1|2,0,0]=4 699 B12R1.105 CC1=CN=C(O1)CCCC(=O)O MCULE-7779592380 [1,0,0,0,0,1|2,0,0]=4 700 B12R1.105 CC1=CN=C(O1)COCC(=O)O MCULE-2883635869 [1,0,0,0,0,1|2,0,0]=4 701 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O MCULE-1135918013 [1,0,0,0,0,1|2,0,0]=4 702 B12R1.226 CC1=CC(=CN=C1)CCC(=O)O MCULE-2635499592 [1,0,0,0,0,1|1,0,0]=3 703 B12R1.226 CC1=CC=NC(=C1)CCC(=O)O MCULE-3968146261 [1,0,0,0,0,1|1,0,0]=3 704 B12R1.226 CC1=NC=CC(=C1)CCC(=O)O MCULE-2315188887 [1,0,0,0,0,1|2,0,0]=4 705 B12R1.226 CC1=NC=NC(=C1)SCC(=O)O MCULE-5394255405 [1,0,0,0,0,1|2,0,0]=4 706 B12R1.226 O=C(O)CCC1=CC(=CN=C1)Br MCULE-6729572879 [1,0,0,0,0,1|2,0,0]=4 707 B12R1.226 O=C(O)CCC1=CC(=CN=C1)F MCULE-3377468418 [1,0,0,0,0,1|2,0,0]=4 708 B12R1.226 O=C(O)CCC1=CC(=CN=C1)O MCULE-3919717539 [1,0,0,0,0,1|2,0,0]=4 709 B12R1.226 O=C(O)CCC1=NC=CC(=C1)F MCULE-2169921217 [1,0,0,0,0,1|2,0,0]=4 710 B14R1.679 CC1=CC=C(C=C1)CCC(N)C(=O)O MCULE-7593182446 [0,0,0,0,0,2|2,0,0]=4 711 B14R1.679 CC1=CC=C(C=C1)CC[C@@H](N)C(=O)O MCULE-7553433191 [0,0,0,0,0,2|2,0,0]=4 712 B14R1.679 CC1=CC=C(C=C1)CC[C@H](N)C(=O)O MCULE-2577430347 [0,0,0,0,0,2|2,0,0]=4 713 B14R1.679 CC1=CC=C(C=C1)CC[C@H](N)C(=O)O MCULE-9957009794 [0,0,0,0,0,2|2,0,0]=4 714 B14R1.698 CC1=CC=C(C=C1)CC(N)CC(=O)O MCULE-6353710442 [0,0,0,0,0,2|2,0,0]=4 715 B14R1.698 CC1=CC=C(C=C1)CC(N)CC(=O)O MCULE-9504398730 [0,0,0,0,0,2|2,0,0]=4 716 B14R1.698 CC1=CC=C(C=C1)C[C@@H](N)CC(=O)O MCULE-1265682222 [0,0,0,0,0,2|2,0,0]=4 717 B14R1.698 CC1=CC=C(C=C1)C[C@@H](N)CC(=O)O MCULE-2802558766 [0,0,0,0,0,2|2,0,0]=4 718 B14R1.698 CC1=CC=C(C=C1)C[C@@H](N)CC(=O)O MCULE-6445530808 [0,0,0,0,0,2|2,0,0]=4 719 B14R1.698 CC1=CC=C(C=C1)C[C@@H](N)CC(=O)O MCULE-6976449659 [0,0,0,0,0,2|2,0,0]=4 720 B14R1.698 CC1=CC=C(C=C1)C[C@H](N)CC(=O)O MCULE-3158215549 [0,0,0,0,0,2|2,0,0]=4 721 B14R1.698 CC1=CC=C(C=C1)C[C@H](N)CC(=O)O MCULE-3271897565 [0,0,0,0,0,2|2,0,0]=4 722 B14R1.698 CC1=CC=C(C=C1)C[C@H](N)CC(=O)O MCULE-3358498761 [0,0,0,0,0,2|2,0,0]=4 723 B14R1.698 CC1=CC=C(C=C1)C[C@H](N)CC(=O)O MCULE-5208172708 [0,0,0,0,0,2|2,0,0]=4 724 B14R1.5956 CC1=CC(=CC=C1)CC[C@@H](N)C(=O)O MCULE-5410717863 [0,0,0,0,0,2|2,0,0]=4 725 B14R1.5956 CC1=CC=CC(=C1)CCC(N)C(=O)O MCULE-5206637988 [0,0,0,0,0,2|2,0,0]=4 726 B14R1.5978 CC1=CC(=CC=C1)CC(N)CC(=O)O MCULE-6036000995 [0,0,0,0,0,2|2,0,0]=4 727 B14R1.5978 CC1=CC(=CC=C1)C[C@@H](N)CC(=O)O MCULE-2447029800 [0,0,0,0,0,2|2,0,0]=4 728 B14R1.5978 CC1=CC(=CC=C1)C[C@@H](N)CC(=O)O MCULE-2723460826 [0,0,0,0,0,2|2,0,0]=4 729 B14R1.5978 CC1=CC(=CC=C1)C[C@@H](N)CC(=O)O MCULE-4434526985 [0,0,0,0,0,2|2,0,0]=4 730 B14R1.5978 CC1=CC(=CC=C1)C[C@@H](N)CC(=O)O MCULE-6757754414 [0,0,0,0,0,2|2,0,0]=4 731 B14R1.5978 CC1=CC(=CC=C1)C[C@H](N)CC(=O)O MCULE-2168051019 [0,0,0,0,0,2|2,0,0]=4 732 B14R1.5978 CC1=CC(=CC=C1)C[C@H](N)CC(=O)O MCULE-3831399403 [0,0,0,0,0,2|2,0,0]=4 733 B14R1.5978 CC1=CC(=CC=C1)C[C@H](N)CC(=O)O MCULE-4883358146 [0,0,0,0,0,2|2,0,0]=4 734 B14R1.5978 CC1=CC(=CC=C1)C[C@H](N)CC(=O)O MCULE-6371221917 [0,0,0,0,0,2|2,0,0]=4 735 B14R1.5978 CC1=CC=CC(=C1)CC(N)CC(=O)O MCULE-5941047721 [0,0,0,0,0,2|2,0,0]=4