0 B9R0.39 CC(=O)NC(C#N)C(=O)N MCULE-7779090279 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.39 CC(=O)NC(CO)C(=O)O MCULE-1309560741 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.39 CC(=O)NC(CS)C(=O)N MCULE-2256527758 [0,0,0,0,0,0|1,1,0]=2 3 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-6378320219 [0,0,0,0,0,0|0,1,0]=1 4 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-8740981134 [0,0,0,0,0,0|0,1,0]=1 5 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-1874809708 [0,0,0,0,0,0|0,0,0]=0 6 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-6388016375 [0,0,0,0,0,0|0,0,0]=0 7 B9R0.39 CC(=O)N[C@@H](CS)C(=O)N MCULE-1208846063 [0,0,0,0,0,0|1,1,0]=2 8 B9R0.39 CC(=O)N[C@@H](CS)C(=O)N MCULE-2389070545 [0,0,0,0,0,0|1,1,0]=2 9 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-3293270590 [0,0,0,0,0,0|0,1,0]=1 10 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-8632971295 [0,0,0,0,0,0|0,1,0]=1 11 B9R0.39 CC(=O)N[C@H](CO)C(=O)O MCULE-3723348697 [0,0,0,0,0,0|0,0,0]=0 12 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-2338539483 [0,0,0,0,0,0|0,1,0]=1 13 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-7287452762 [0,0,0,0,0,0|0,1,0]=1 14 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-3679366313 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-4357118038 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-5464779902 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-1199418849 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-2007636867 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-3151357434 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-6826376648 [0,0,0,0,0,0|3,0,1]=4 21 B9R0.39 CC(C)C[C@@H](CO)C(=O)O MCULE-8614733501 [0,0,0,0,0,0|2,0,1]=3 22 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-1897946062 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5204739284 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5587093761 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-6247275234 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.39 CC(C)C[C@H](CO)C(=O)O MCULE-3078607450 [0,0,0,0,0,0|2,0,1]=3 27 B9R0.39 CCC(CC(=O)Cl)C(=O)Cl MCULE-4134104716 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,0,0,0,0,0|3,0,0]=3 29 B9R0.39 CCC(CC(C)C)C(=O)O MCULE-5215518236 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-1309294109 [0,0,0,0,0,0|1,0,0]=1 31 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-9698129539 [0,0,0,0,0,0|1,0,0]=1 32 B9R0.39 CCC(NC(=O)N)C(=O)O MCULE-1973871135 [0,0,0,0,0,0|2,0,0]=2 33 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7235932783 [0,0,0,0,0,0|2,0,1]=3 34 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7934342287 [0,0,0,0,0,0|2,0,1]=3 35 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-4606830483 [0,0,0,0,0,0|1,0,0]=1 36 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-7396715663 [0,0,0,0,0,0|1,0,0]=1 37 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,0,0,0,0,0|4,0,0]=4 38 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [0,0,0,0,0,0|4,0,0]=4 39 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,0,0,0,0,0|4,0,0]=4 40 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,0,0,0,0,0|4,0,0]=4 41 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,0,0,0,0,0|4,0,0]=4 42 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [0,0,0,0,0,0|4,0,0]=4 43 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,0,0,0,0,0|4,0,0]=4 44 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,0,0,0,0,0|4,0,0]=4 45 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,0,0,0,0,0|4,0,0]=4 46 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [0,0,0,0,0,0|4,0,0]=4 47 B9R0.39 N=C(N)N[C@@H](CS)C(=O)O MCULE-8761842896 [0,0,0,0,0,0|2,1,0]=3 48 B9R0.39 NC(=O)NC(CO)C(=O)O MCULE-8322024012 [0,0,0,0,0,0|1,0,0]=1 49 B9R0.39 NC(=O)NC(CS)C(=O)O MCULE-3558033323 [0,0,0,0,0,0|1,1,0]=2 50 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O MCULE-9735857877 [0,0,0,0,0,0|1,1,0]=2 51 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,0,0,0,0,0|3,0,0]=3 52 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,0,0,0,0,0|3,0,0]=3 53 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [0,0,0,0,0,0|4,0,0]=4 54 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [0,0,0,0,0,0|2,1,0]=3 55 B8R0.15 C=CCC(CC)C(=O)O MCULE-8599414655 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.15 CCC(NC=O)C(=O)O MCULE-6163876154 [1,0,0,0,0,0|1,0,0]=2 57 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [1,0,0,0,0,0|2,0,1]=4 58 B8R0.15 CCCC(CO)C(=O)O MCULE-2653026260 [1,0,0,0,0,0|1,0,1]=3 59 B8R0.15 CCCC(NO)C(=O)O MCULE-7484331195 [1,0,0,0,0,0|2,0,1]=4 60 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-1805025355 [1,0,0,0,0,0|1,0,1]=3 61 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-3449491143 [1,0,0,0,0,0|1,0,1]=3 62 B8R0.15 CCC[C@H](NO)C(=O)O MCULE-7455558431 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.15 CCOC(CBr)C(=O)O MCULE-5345866284 [1,0,0,0,0,0|2,0,1]=4 64 B8R0.15 CCOC(CC)C(=O)O MCULE-1674742787 [1,0,0,0,0,0|2,0,1]=4 65 B8R0.15 O=CN[C@@H](CS)C(=O)O MCULE-9815114026 [1,0,0,0,0,0|0,1,0]=2 66 B8R0.15 [N-]=[N+]=N[C@@H](CO)C(=O)O MCULE-4986094700 [1,0,0,0,0,0|2,0,1]=4 67 B8R0.15 [N-]=[N+]=N[C@@H](CO)C(=O)O MCULE-8084316504 [1,0,0,0,0,0|2,0,1]=4 68 B8R0.15 [N-]=[N+]=N[C@H](CO)C(=O)O MCULE-7126492751 [1,0,0,0,0,0|2,0,1]=4 69 B8R0.15 [N-]=[N+]=N[C@H](CO)C(=O)O MCULE-8359241001 [1,0,0,0,0,0|2,0,1]=4 70 B8R0.16 C=CC(CC)OC(=O)C MCULE-4764266837 [1,0,0,0,0,0|3,0,0]=4 71 B8R0.16 CC(=O)NC(CO)CO MCULE-5276694510 [1,0,0,0,0,0|0,0,1]=2 72 B8R0.16 CCC(CO)NC(=O)C MCULE-9868176705 [1,0,0,0,0,0|1,0,1]=3 73 B8R0.16 CC[C@@H](CO)NC(=O)C MCULE-2664687963 [1,0,0,0,0,0|1,0,1]=3 74 B8R0.16 CC[C@@H](CO)NC(=O)C MCULE-6485833206 [1,0,0,0,0,0|1,0,1]=3 75 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [1,0,0,0,0,0|3,0,0]=4 76 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [1,0,0,0,0,0|2,0,1]=4 77 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [1,0,0,0,0,0|2,0,1]=4 78 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [1,0,0,0,0,0|2,0,0]=3 79 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [1,0,0,0,0,0|3,0,0]=4 80 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [1,0,0,0,0,0|3,0,0]=4 81 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [1,0,0,0,0,0|2,0,0]=3 82 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [1,0,0,0,0,0|3,0,0]=4 83 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [1,0,0,0,0,0|3,0,0]=4 84 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [1,0,0,0,0,0|0,0,2]=3 85 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [1,0,0,0,0,0|2,0,1]=4 86 B8R0.23 CC(=NC(=O)N)C(=O)O MCULE-5921330982 [1,0,0,0,0,0|1,0,2]=4 87 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [1,0,0,0,0,0|3,0,0]=4 88 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [1,0,0,0,0,0|1,0,0]=2 89 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [1,0,0,0,0,0|2,0,0]=3 90 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [1,0,0,0,0,0|2,0,0]=3 91 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [1,0,0,0,0,0|2,0,0]=3 92 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [1,0,0,0,0,0|1,0,0]=2 93 B8R0.23 CC(=O)NC(=O)C(=O)N MCULE-2486343722 [1,0,0,0,0,0|1,0,2]=4 94 B8R0.23 CC(=O)NC(C)C(=O)C MCULE-4672583112 [1,0,0,0,0,0|1,0,0]=2 95 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [1,0,0,0,0,0|0,0,0]=1 96 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [1,0,0,0,0,0|0,0,0]=1 97 B8R0.23 CC(=O)NC(O)C(Cl)Cl MCULE-3137859785 [1,0,0,0,0,0|2,0,1]=4 98 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-1899336261 [1,0,0,0,0,0|1,0,0]=2 99 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-2242849037 [1,0,0,0,0,0|1,0,0]=2 100 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9322824133 [1,0,0,0,0,0|1,0,0]=2 101 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9348799148 [1,0,0,0,0,0|1,0,0]=2 102 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [1,0,0,0,0,0|0,0,0]=1 103 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [1,0,0,0,0,0|0,0,0]=1 104 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [1,0,0,0,0,0|0,0,0]=1 105 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [1,0,0,0,0,0|0,0,0]=1 106 B8R0.23 CC(=O)OC(C)C(=O)C MCULE-7403314261 [1,0,0,0,0,0|2,0,0]=3 107 B8R0.23 CC(=O)OC(C)C(=O)Cl MCULE-9987734584 [1,0,0,0,0,0|2,0,0]=3 108 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [1,0,0,0,0,0|1,0,0]=2 109 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [1,0,0,0,0,0|1,0,0]=2 110 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-6842776649 [1,0,0,0,0,0|2,0,0]=3 111 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-9564324053 [1,0,0,0,0,0|2,0,0]=3 112 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [1,0,0,0,0,0|1,0,0]=2 113 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [1,0,0,0,0,0|1,0,0]=2 114 B8R0.23 CC(=O)O[C@@H](C)C(=S)N MCULE-3286144331 [1,0,0,0,0,0|2,1,0]=4 115 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-4690787544 [1,0,0,0,0,0|2,0,0]=3 116 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-6415823129 [1,0,0,0,0,0|2,0,0]=3 117 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [1,0,0,0,0,0|1,0,0]=2 118 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [1,0,0,0,0,0|1,0,0]=2 119 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [1,0,0,0,0,0|2,0,1]=4 120 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [1,0,0,0,0,0|2,0,1]=4 121 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [1,0,0,0,0,0|2,0,1]=4 122 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [1,0,0,0,0,0|2,0,1]=4 123 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [1,0,0,0,0,0|2,0,1]=4 124 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [1,0,0,0,0,0|2,0,1]=4 125 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [1,0,0,0,0,0|2,0,1]=4 126 B8R0.23 CC(C)NC(C)C(=O)O MCULE-1412835872 [1,0,0,0,0,0|1,0,1]=3 127 B8R0.23 CC(C)NC(C)C(=O)O MCULE-5184634957 [1,0,0,0,0,0|1,0,1]=3 128 B8R0.23 CC(C)OC(C)C(=O)O MCULE-6571129429 [1,0,0,0,0,0|2,0,1]=4 129 B8R0.23 CC(C)SC(C)C(=O)O MCULE-1620493707 [1,0,0,0,0,0|2,0,1]=4 130 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [1,0,0,0,0,0|3,0,0]=4 131 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [1,0,0,0,0,0|2,0,0]=3 132 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [1,0,0,0,0,0|2,0,0]=3 133 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [1,0,0,0,0,0|2,0,0]=3 134 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [1,0,0,0,0,0|3,0,0]=4 135 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [1,0,0,0,0,0|3,0,0]=4 136 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [1,0,0,0,0,0|2,0,0]=3 137 B8R0.23 CC(NC(=N)N)C(=O)O MCULE-1509115617 [1,0,0,0,0,0|2,0,0]=3 138 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [1,0,0,0,0,0|1,0,0]=2 139 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [1,0,0,0,0,0|3,0,0]=4 140 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [1,0,0,0,0,0|3,0,0]=4 141 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [1,0,0,0,0,0|3,0,0]=4 142 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [1,0,0,0,0,0|3,0,0]=4 143 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [1,0,0,0,0,0|3,0,0]=4 144 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [1,0,0,0,0,0|2,0,0]=3 145 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [1,0,0,0,0,0|2,0,0]=3 146 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [1,0,0,0,0,0|2,0,0]=3 147 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [1,0,0,0,0,0|2,0,0]=3 148 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [1,0,0,0,0,0|1,0,0]=2 149 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [1,0,0,0,0,0|3,0,0]=4 150 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [1,0,0,0,0,0|3,0,0]=4 151 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [1,0,0,0,0,0|3,0,0]=4 152 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [1,0,0,0,0,0|3,0,0]=4 153 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [1,0,0,0,0,0|3,0,0]=4 154 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [1,0,0,0,0,0|3,0,0]=4 155 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [1,0,0,0,0,0|3,0,0]=4 156 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [1,0,0,0,0,0|3,0,0]=4 157 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [1,0,0,0,0,0|3,0,0]=4 158 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [1,0,0,0,0,0|3,0,0]=4 159 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [1,0,0,0,0,0|3,0,0]=4 160 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [1,0,0,0,0,0|3,0,0]=4 161 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [1,0,0,0,0,0|3,0,0]=4 162 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [1,0,0,0,0,0|3,0,0]=4 163 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [1,0,0,0,0,0|3,0,0]=4 164 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [1,0,0,0,0,0|3,0,0]=4 165 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [1,0,0,0,0,0|3,0,0]=4 166 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [1,0,0,0,0,0|2,0,0]=3 167 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [1,0,0,0,0,0|2,0,0]=3 168 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [1,0,0,0,0,0|2,0,0]=3 169 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [1,0,0,0,0,0|2,1,0]=4 170 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [1,0,0,0,0,0|3,0,0]=4 171 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [1,0,0,0,0,0|3,0,0]=4 172 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [1,0,0,0,0,0|2,0,0]=3 173 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [1,0,0,0,0,0|2,0,0]=3 174 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [1,0,0,0,0,0|3,0,0]=4 175 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [1,0,0,0,0,0|3,0,0]=4 176 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [1,0,0,0,0,0|3,0,0]=4 177 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [1,0,0,0,0,0|2,0,0]=3 178 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [1,0,0,0,0,0|2,0,0]=3 179 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [1,0,0,0,0,0|2,0,1]=4 180 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [1,0,0,0,0,0|2,1,0]=4 181 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [1,0,0,0,0,0|3,0,0]=4 182 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [1,0,0,0,0,0|3,0,0]=4 183 B10R0.23 C#CCC(NC(=O)C)C(=O)O MCULE-9409389398 [0,1,0,0,0,0|1,0,0]=2 184 B10R0.23 C=CCC(NC(=O)C)C(=O)O MCULE-7609607910 [0,1,0,0,0,0|1,0,0]=2 185 B10R0.23 CC(=O)NC(CCO)C(=O)O MCULE-2399187108 [0,1,0,0,0,0|0,0,0]=1 186 B10R0.23 CC(=O)N[C@@H](CCS)C(=O)O MCULE-9792008044 [0,1,0,0,0,0|0,1,0]=2 187 B10R0.23 CCCC(CC(=O)C)C(=O)O MCULE-7988753662 [0,1,0,0,0,0|2,0,0]=3 188 B10R0.23 CCCC(CC(=O)O)C(=O)O MCULE-5222720019 [0,1,0,0,0,0|3,0,0]=4 189 B10R0.23 CCCC(NC(=O)C)C(=O)O MCULE-3719218412 [0,1,0,0,0,0|1,0,0]=2 190 B10R0.23 CCCC(NC(=O)N)C(=O)O MCULE-3451078854 [0,1,0,0,0,0|2,0,0]=3 191 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O MCULE-7396030806 [0,1,0,0,0,0|1,0,0]=2 192 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O MCULE-7424603595 [0,1,0,0,0,0|1,0,0]=2 193 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O MCULE-4836272670 [0,1,0,0,0,0|2,0,0]=3 194 B10R0.23 CCC[C@H](NC(=O)C)C(=O)O MCULE-2905526129 [0,1,0,0,0,0|1,0,0]=2 195 B10R0.23 CCC[C@H](NC(=O)C)C(=O)O MCULE-6395010914 [0,1,0,0,0,0|1,0,0]=2 196 B10R0.23 CNCC(NC(=O)C)C(=O)O MCULE-4047191308 [0,1,0,0,0,0|1,0,0]=2 197 B10R0.23 CNC[C@H](NC(=O)C)C(=O)O MCULE-3833734431 [0,1,0,0,0,0|1,0,0]=2 198 B10R0.23 COCC(CC(=O)O)C(=O)O MCULE-7211279043 [0,1,0,0,0,0|2,0,0]=3 199 B10R0.23 COCC(NC(=O)C)C(=O)O MCULE-9763122983 [0,1,0,0,0,0|0,0,0]=1 200 B10R0.23 COC[C@@H](NC(=O)C)C(=O)O MCULE-2239598357 [0,1,0,0,0,0|0,0,0]=1 201 B10R0.23 COC[C@@H](NC(=O)C)C(=O)O MCULE-4278788977 [0,1,0,0,0,0|0,0,0]=1 202 B10R0.23 COC[C@H](NC(=O)C)C(=O)O MCULE-5146213386 [0,1,0,0,0,0|0,0,0]=1 203 B10R0.23 CSCC(NC(=O)C)C(=O)O MCULE-8059509909 [0,1,0,0,0,0|0,1,0]=2 204 B10R0.23 CSC[C@H](NC(=O)C)C(=O)O MCULE-1058369746 [0,1,0,0,0,0|0,1,0]=2 205 B10R0.53 CCC(NC(=O)CCl)C(=O)O MCULE-5604735564 [0,1,0,0,0,0|1,0,0]=2 206 B10R0.53 CCC(NC(=O)CN)C(=O)O MCULE-2960630687 [0,1,0,0,0,0|1,0,0]=2 207 B10R0.53 NCC(=O)NC(CO)C(=O)O MCULE-9704484705 [0,1,0,0,0,0|0,0,0]=1 208 B10R0.53 NCC(=O)N[C@@H](CO)C(=O)O MCULE-4986689442 [0,1,0,0,0,0|0,0,0]=1 209 B10R0.53 NCC(=O)N[C@@H](CS)C(=O)O MCULE-6900882033 [0,1,0,0,0,0|0,1,0]=2 210 B10R0.53 O=C(CCl)NC(CO)C(=O)O MCULE-3786186517 [0,1,0,0,0,0|0,0,0]=1 211 B10R0.53 O=C(CCl)N[C@@H](CO)C(=O)O MCULE-8807935269 [0,1,0,0,0,0|0,0,0]=1 212 B10R0.53 [C@@H](CO)(NC(=O)CN)C(=O)O MCULE-7844760749 [0,1,0,0,0,0|0,0,0]=1 213 B10R0.54 CCC(NC(C)C)C(=O)OC MCULE-5445228076 [0,1,0,0,0,0|2,0,1]=4 214 B10R0.54 CCC(NC(C)C)C(=O)OC MCULE-5463480941 [0,1,0,0,0,0|2,0,1]=4 215 B10R0.54 CC[C@@H](NC(C)C)C(=O)OC MCULE-4001118323 [0,1,0,0,0,0|2,0,1]=4 216 B10R0.54 CC[C@@H](NC(C)C)C(=O)OC MCULE-7185561841 [0,1,0,0,0,0|2,0,1]=4 217 B10R0.54 CNC(=O)[C@H](CO)NC(=O)C MCULE-1380293620 [0,1,0,0,0,0|1,0,0]=2 218 B10R0.54 COC(=O)C(CCl)NC(=O)C MCULE-6763143430 [0,1,0,0,0,0|1,0,0]=2 219 B10R0.54 COC(=O)C(CS)NC(=O)C MCULE-6919568758 [0,1,0,0,0,0|0,1,0]=2 220 B10R0.54 COC(=O)C(CS)NC(=O)C MCULE-8314913233 [0,1,0,0,0,0|0,1,0]=2 221 B10R0.54 COC(=O)[C@H](CCl)NC(=O)C MCULE-4961593345 [0,1,0,0,0,0|1,0,0]=2 222 B10R0.54 COC(=O)[C@H](CCl)NC(=O)C MCULE-8773572586 [0,1,0,0,0,0|1,0,0]=2 223 B10R0.54 COC(=O)[C@H](CO)NC(=O)C MCULE-6635335555 [0,1,0,0,0,0|0,0,0]=1 224 B10R0.54 COC(=O)[C@H](CO)NC(=O)C MCULE-7904400544 [0,1,0,0,0,0|0,0,0]=1 225 B10R0.54 COC(=O)[C@H](CS)NC(=O)C MCULE-2613576372 [0,1,0,0,0,0|0,1,0]=2 226 B10R0.54 COC(=O)[C@H](CS)NC(=O)C MCULE-4654547070 [0,1,0,0,0,0|0,1,0]=2 227 B10R0.95 O=C(O)C(CO)OP(=O)(O)O MCULE-7283219699 [0,1,0,0,0,0|3,0,0]=4 228 B10R0.119 CC(C)CC(N)(CO)C(=O)O MCULE-4659989671 [0,1,0,0,0,0|2,0,1]=4 229 B10R0.119 CC(CN)(CC(=O)O)C(=O)O MCULE-2103588985 [0,1,0,0,0,0|3,0,0]=4 230 B10R0.119 CC(CN)(CC(=O)O)C(=O)O MCULE-8467010129 [0,1,0,0,0,0|3,0,0]=4 231 B10R0.119 CCC(C)(CC(=O)O)C(=O)O MCULE-5857208842 [0,1,0,0,0,0|3,0,0]=4 232 B10R0.162 CC(=O)NC(=C(C)C)C(=O)O MCULE-8792339165 [0,1,0,0,0,0|1,0,2]=4 233 B10R0.162 CC(=O)NC(=C(Cl)Cl)C(=O)O MCULE-1203716243 [0,1,0,0,0,0|1,0,2]=4 234 B10R0.162 CC(=O)NC(C(=O)N)C(C)C MCULE-4954417296 [0,1,0,0,0,0|2,0,0]=3 235 B10R0.162 CC(=O)NC(C(=O)O)C(C)C MCULE-5114275353 [0,1,0,0,0,0|1,0,0]=2 236 B10R0.162 CC(=O)NC(C(=O)O)C(C)C MCULE-7625507425 [0,1,0,0,0,0|1,0,0]=2 237 B10R0.162 CC(=O)NC(C(=O)[O-])C(=O)[O-] MCULE-1749457266 [0,1,0,0,0,0|0,0,3]=4 238 B10R0.162 CC(=O)NC(C(=O)[O-])C(=O)[O-] MCULE-9518580362 [0,1,0,0,0,0|0,0,3]=4 239 B10R0.162 CC(=O)N[C@@H](C(=O)O)C(C)C MCULE-7724348414 [0,1,0,0,0,0|1,0,0]=2 240 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C MCULE-5832011663 [0,1,0,0,0,0|2,0,0]=3 241 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C MCULE-6203599101 [0,1,0,0,0,0|2,0,0]=3 242 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C MCULE-4757813230 [0,1,0,0,0,0|1,0,0]=2 243 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C MCULE-6959371366 [0,1,0,0,0,0|1,0,0]=2 244 B10R0.162 CC(=O)N[C@H](C(=O)O)[C@@H](C)O MCULE-1503882427 [0,1,0,0,0,0|0,0,0]=1 245 B10R0.162 CC(=O)N[C@H](C(=O)O)[C@@H](C)O MCULE-5611708903 [0,1,0,0,0,0|0,0,0]=1 246 B10R0.162 CC(=O)OC(C(=O)O)C(C)C MCULE-6800981090 [0,1,0,0,0,0|2,0,0]=3 247 B10R0.162 CC(=O)O[C@@H](C(=O)O)C(C)C MCULE-2609525866 [0,1,0,0,0,0|2,0,0]=3 248 B10R0.162 CC(C)C(CC(=O)O)C(=O)O MCULE-8647740549 [0,1,0,0,0,0|3,0,0]=4 249 B10R0.162 CC(C)C(NC(=O)N)C(=O)O MCULE-8905457274 [0,1,0,0,0,0|2,0,0]=3 250 B10R0.162 CC(C)NC(C(=O)O)C(C)C MCULE-3597742159 [0,1,0,0,0,0|2,0,1]=4 251 B10R0.162 CC(C)NC(C(=O)O)C(C)C MCULE-7004359902 [0,1,0,0,0,0|2,0,1]=4 252 B10R0.162 CC(C)[C@@H](NC(=O)N)C(=O)O MCULE-8034373559 [0,1,0,0,0,0|2,0,0]=3 253 B10R0.162 CC(O)C(NC(=O)N)C(=O)O MCULE-3166365598 [0,1,0,0,0,0|1,0,0]=2 254 B10R0.162 [C@@H](NC(=O)N)(C(=O)O)C(C)C MCULE-1578246756 [0,1,0,0,0,0|2,0,0]=3 255 B10R0.162 [C@H](NC(=O)C)(C(=O)O)C(C)C MCULE-3375530717 [0,1,0,0,0,0|1,0,0]=2 256 B10R1.30 CC[C@@H]1NC(=O)CNC1=O MCULE-4523744319 [0,0,0,1,0,0|2,0,0]=3 257 B10R1.30 O=C1CNC(=O)C(N1)CO MCULE-6601689011 [0,0,0,1,0,0|1,0,0]=2 258 B10R1.30 O=C1CNC(=O)[C@@H](N1)CO MCULE-1937112846 [0,0,0,1,0,0|1,0,0]=2 259 B10R1.30 O=C1CNC(=O)[C@@H](N1)CO MCULE-7896009458 [0,0,0,1,0,0|1,0,0]=2 260 B10R1.59 C=C1C[C@@H]([C@@H](C1)C(=O)O)N MCULE-9822470688 [0,0,0,1,0,0|3,0,0]=4 261 B10R1.59 CC1CC(=O)NC1C(=O)O MCULE-1142843058 [0,0,0,1,0,0|1,0,0]=2 262 B10R1.59 CC1NC(=O)CC1C(=O)O MCULE-1109266882 [0,0,0,1,0,0|3,0,0]=4 263 B10R1.59 CC1OC(=O)NC1C(=O)O MCULE-7595794618 [0,0,0,1,0,0|2,0,0]=3 264 B10R1.59 C[C@@H]1CC(=O)N[C@@H]1C(=O)O MCULE-5687745727 [0,0,0,1,0,0|1,0,0]=2 265 B10R1.59 C[C@@H]1CC(=O)N[C@H]1C(=O)O MCULE-3978079245 [0,0,0,1,0,0|1,0,0]=2 266 B10R1.59 C[C@H]1CC(=O)N[C@@H]1C(=O)O MCULE-1352855018 [0,0,0,1,0,0|1,0,0]=2 267 B10R1.59 C[C@H]1CC(=O)N[C@H]1C(=O)O MCULE-6205979547 [0,0,0,1,0,0|1,0,0]=2 268 B10R1.64 CC(=O)NC1CCOC1=O MCULE-5727753236 [0,0,0,1,0,0|1,0,0]=2 269 B10R1.64 CC(=O)NC1CCSC1=O MCULE-3189072897 [0,0,0,1,0,0|1,1,0]=3 270 B10R1.64 CC(=O)NC1COCC1F MCULE-8363696383 [0,0,0,1,0,0|2,0,1]=4 271 B10R1.64 CC(=O)NN1CCCC1=O MCULE-1490773377 [0,0,0,1,0,0|3,0,0]=4 272 B10R1.64 CC(=O)N[C@@H]1COC[C@@H]1O MCULE-1869672029 [0,0,0,1,0,0|1,0,1]=3 273 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O MCULE-6420976383 [0,0,0,1,0,0|2,0,1]=4 274 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O MCULE-9888711851 [0,0,0,1,0,0|2,0,1]=4 275 B10R1.64 CC(=O)N[C@H]1CCOC1=O MCULE-5447353787 [0,0,0,1,0,0|1,0,0]=2 276 B10R1.64 CC(=O)N[C@H]1CCSC1=O MCULE-3439062111 [0,0,0,1,0,0|1,1,0]=3 277 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O MCULE-6592510964 [0,0,0,1,0,0|1,0,1]=3 278 B10R1.64 CC(=O)OC1CCNC1=O MCULE-8273704915 [0,0,0,1,0,0|3,0,0]=4 279 B10R1.64 NC(=O)NC1CCCC1=O MCULE-8760589602 [0,0,0,1,0,0|3,0,0]=4 280 B10R1.113 CC(C)[C@@H]1COCC(=O)N1 MCULE-2522526689 [0,0,0,1,0,0|2,0,1]=4 281 B10R1.113 CC(C)[C@@H]1COCC(=O)N1 MCULE-6181817672 [0,0,0,1,0,0|2,0,1]=4 282 B10R1.113 CC(C)[C@H]1COCC(=O)N1 MCULE-3833156722 [0,0,0,1,0,0|2,0,1]=4 283 B10R1.113 CC(C)[C@H]1COCC(=O)N1 MCULE-6106811752 [0,0,0,1,0,0|2,0,1]=4 284 B10R1.113 CC1=CCCC(C1)C(=O)O MCULE-1528958679 [0,0,0,1,0,0|3,0,0]=4 285 B10R1.113 CC1=NCCC(N1)C(=O)O MCULE-8417553503 [0,0,0,1,0,0|2,0,0]=3 286 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-2656568536 [0,0,0,1,0,0|2,0,1]=4 287 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-4918579312 [0,0,0,1,0,0|2,0,1]=4 288 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-2752928027 [0,0,0,1,0,0|2,0,1]=4 289 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7361502591 [0,0,0,1,0,0|2,0,1]=4 290 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7906995060 [0,0,0,1,0,0|2,0,1]=4 291 B10R1.113 CC1COCC(N1)C(=O)N MCULE-4300959650 [0,0,0,1,0,0|2,0,1]=4 292 B10R1.113 CC1COCC(N1)C(=O)O MCULE-6739051094 [0,0,0,1,0,0|1,0,1]=3 293 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6827473516 [0,0,0,1,0,0|2,0,1]=4 294 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6916060172 [0,0,0,1,0,0|2,0,1]=4 295 B10R1.113 NC(=O)C1CCCC(=O)C1 MCULE-3502536681 [0,0,0,1,0,0|3,0,0]=4 296 B10R1.113 O=C1C=C(CCC1)C(=O)O MCULE-6477437107 [0,0,0,1,0,0|2,0,1]=4 297 B10R1.113 O=C1C=CCC(C1)C(=O)O MCULE-3511234259 [0,0,0,1,0,0|2,0,1]=4 298 B10R1.113 O=C1CC(CCN1)C(=O)O MCULE-8037650535 [0,0,0,1,0,0|3,0,0]=4 299 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-4653652849 [0,0,0,1,0,0|3,0,0]=4 300 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-5555795045 [0,0,0,1,0,0|3,0,0]=4 301 B10R1.113 O=C1CCCC(C1)C(=O)O MCULE-6286773194 [0,0,0,1,0,0|2,0,0]=3 302 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9444010827 [0,0,0,1,0,0|1,0,0]=2 303 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9607599809 [0,0,0,1,0,0|1,0,0]=2 304 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O MCULE-5396925186 [0,0,0,1,0,0|2,0,0]=3 305 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-3091454903 [0,0,0,1,0,0|1,0,0]=2 306 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-5853502175 [0,0,0,1,0,0|1,0,0]=2 307 B10R1.113 O=C1CCC[C@H](C1)C(=O)O MCULE-8936667281 [0,0,0,1,0,0|2,0,0]=3 308 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-6509598163 [0,0,0,1,0,0|1,0,0]=2 309 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-7646943695 [0,0,0,1,0,0|1,0,0]=2 310 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-6916176336 [0,0,0,1,0,0|3,0,0]=4 311 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-9262761817 [0,0,0,1,0,0|3,0,0]=4 312 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-1115212106 [0,0,0,1,0,0|3,0,0]=4 313 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5896394571 [0,0,0,1,0,0|3,0,0]=4 314 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5937606037 [0,0,0,1,0,0|3,0,0]=4 315 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-7073629862 [0,0,0,1,0,0|3,0,0]=4 316 B10R1.113 O=C1CNCC(N1)C(=O)O MCULE-4117148380 [0,0,0,1,0,0|1,0,0]=2 317 B10R1.113 O=C1CNC[C@@H](N1)C(=O)O MCULE-3006600193 [0,0,0,1,0,0|1,0,0]=2 318 B10R1.113 O=C1CNC[C@H](N1)C(=O)O MCULE-4345470043 [0,0,0,1,0,0|1,0,0]=2 319 B10R1.113 O=C1CSCC(N1)C(=O)O MCULE-7630386798 [0,0,0,1,0,0|0,1,0]=2 320 B10R1.113 O=C1CSC[C@H](N1)C(=O)O MCULE-1412113570 [0,0,0,1,0,0|0,1,0]=2 321 B10R1.113 O=C1C[C@@H](CCN1)C(=O)O MCULE-5205458306 [0,0,0,1,0,0|3,0,0]=4 322 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-6254957663 [0,0,0,1,0,0|3,0,0]=4 323 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-9670666580 [0,0,0,1,0,0|3,0,0]=4 324 B10R1.113 O=C1NC(CCO1)C(=O)O MCULE-4281750243 [0,0,0,1,0,0|2,0,0]=3 325 B10R1.113 O=C1NCCC(N1)C(=O)O MCULE-6196729766 [0,0,0,1,0,0|2,0,0]=3 326 B10R1.113 O=C1NCCC(O1)C(=O)O MCULE-1272116406 [0,0,0,1,0,0|3,0,0]=4 327 B10R1.113 O=C1N[C@@H](CCO1)C(=O)O MCULE-7121690603 [0,0,0,1,0,0|2,0,0]=3 328 B10R1.113 [C@@H]1(CCCC(N1)C)C(=O)O MCULE-7930307305 [0,0,0,1,0,0|2,0,1]=4 329 B10R1.234 N#CC1(CC(=O)C1)C(=O)O MCULE-7934005669 [0,0,0,1,0,0|2,0,1]=4 330 B10R1.234 O=C(O)C1(CC(C1)O)CO MCULE-2858031975 [0,0,0,1,0,0|1,0,2]=4 331 B10R1.282 CC1C(C1C(=O)O)C(=O)O MCULE-6282240195 [0,0,0,1,0,0|3,0,0]=4 332 B10R1.351 CC(=O)N[C@@H]1CC[C@@]1(C)O MCULE-1388919660 [0,0,0,1,0,0|2,0,1]=4 333 B10R1.359 CC1(CC(CO1)C(=O)O)C MCULE-2939144976 [0,0,0,1,0,0|2,0,1]=4 334 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5310172848 [0,0,0,1,0,0|2,0,1]=4 335 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5921965282 [0,0,0,1,0,0|2,0,1]=4 336 B10R1.359 CC1(NC(CS1)C(=O)O)C MCULE-3628976485 [0,0,0,1,0,0|1,1,1]=4 337 B10R1.359 CC1(NC(CS1)C(=O)O)C MCULE-9763318604 [0,0,0,1,0,0|1,1,1]=4 338 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-5428000366 [0,0,0,1,0,0|1,1,1]=4 339 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-6914291473 [0,0,0,1,0,0|1,1,1]=4 340 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-8499487712 [0,0,0,1,0,0|1,1,1]=4 341 B10R1.359 CC1(N[C@@H](CS1)C(=O)O)C MCULE-9591174443 [0,0,0,1,0,0|1,1,1]=4 342 B10R1.359 CC1(N[C@H](CS1)C(=O)O)C MCULE-1864127233 [0,0,0,1,0,0|1,1,1]=4 343 B10R1.359 CC1(OCC(O1)C(=O)O)C MCULE-8459041221 [0,0,0,1,0,0|2,0,1]=4 344 B10R1.359 CC1(OC[C@@H](O1)C(=O)O)C MCULE-4620241254 [0,0,0,1,0,0|2,0,1]=4 345 B10R1.359 CC1(OC[C@@H](O1)C(=O)O)C MCULE-7602075849 [0,0,0,1,0,0|2,0,1]=4 346 B10R1.359 CC1(OC[C@H](O1)C(=O)O)C MCULE-6422447541 [0,0,0,1,0,0|2,0,1]=4 347 B10R1.359 CC1(OC[C@H](O1)C(=O)O)C MCULE-7066406161 [0,0,0,1,0,0|2,0,1]=4 348 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 MCULE-5768819085 [0,0,0,1,0,0|3,0,0]=4 349 B10R1.361 C1(CCN1C(C)C)C(=O)O MCULE-2301490448 [0,0,0,1,0,0|2,0,1]=4 350 B10R1.361 CC(=O)N1CCC1C(=O)O MCULE-4216069349 [0,0,0,1,0,0|1,0,0]=2 351 B10R1.361 CC(=O)N1CC[C@H]1C(=O)O MCULE-3086147567 [0,0,0,1,0,0|1,0,0]=2 352 B10R1.361 CC(C)N1CCC1C(=O)O MCULE-3327703206 [0,0,0,1,0,0|2,0,1]=4 353 B10R1.361 CC(C)N1CC[C@H]1C(=O)O MCULE-1726046033 [0,0,0,1,0,0|2,0,1]=4 354 B10R1.361 CC(C)N1CC[C@H]1C(=O)O MCULE-3879944736 [0,0,0,1,0,0|2,0,1]=4 355 B10R1.361 NC(=O)C1CCC1C(=O)O MCULE-3903818494 [0,0,0,1,0,0|3,0,0]=4 356 B10R1.361 O=C(O)C1CCC1C(=O)O MCULE-6136792366 [0,0,0,1,0,0|3,0,0]=4 357 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-2743190923 [0,0,0,1,0,0|3,0,0]=4 358 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-6841335407 [0,0,0,1,0,0|3,0,0]=4 359 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-3432000151 [0,0,0,1,0,0|3,0,0]=4 360 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-6937334278 [0,0,0,1,0,0|3,0,0]=4 361 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O MCULE-8609403409 [0,0,0,1,0,0|3,0,0]=4 362 B10R1.361 [C@@H]1(CC[C@@H]1C(=O)O)C(=O)O MCULE-4637916300 [0,0,0,1,0,0|3,0,0]=4 363 B10R1.442 CC(=O)NC1(CC1)C(=O)O MCULE-6784900310 [0,0,0,1,0,0|1,0,0]=2 364 B10R1.442 CC(=O)OC1(CC1)C(=O)O MCULE-7634246100 [0,0,0,1,0,0|2,0,0]=3 365 B10R1.442 NC(=O)NC1(CC1)C(=O)O MCULE-5553928485 [0,0,0,1,0,0|2,0,0]=3 366 B10R1.442 O=C(O)CC1(CC1)C(=O)O MCULE-5389842845 [0,0,0,1,0,0|3,0,0]=4 367 B10R1.469 CCC(NC1CC1)C(=O)O MCULE-7285104702 [0,0,0,1,0,0|2,0,1]=4 368 B10R1.469 NCC(NC1CC1)C(=O)O MCULE-4716840583 [0,0,0,1,0,0|2,0,1]=4 369 B8R0.18 CC(=O)C(=NO)C(=O)C MCULE-5277683993 [0,0,0,0,1,0|2,0,1]=4 370 B8R0.18 CC(=O)C(C=O)C(=O)C MCULE-8700117770 [0,0,0,0,1,0|1,0,2]=4 371 B8R0.18 CC(C)C(CN)C(=O)O MCULE-4117902081 [0,0,0,0,1,0|2,0,1]=4 372 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7615812755 [0,0,0,0,1,0|2,0,1]=4 373 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7742033605 [0,0,0,0,1,0|2,0,1]=4 374 B8R0.18 CC(C)C(CO)C(=O)O MCULE-3554430088 [0,0,0,0,1,0|1,0,1]=3 375 B8R0.18 CC(C)C(CO)C(=O)[O-] MCULE-8769338268 [0,0,0,0,1,0|1,0,2]=4 376 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-1192054373 [0,0,0,0,1,0|2,0,1]=4 377 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-3040043200 [0,0,0,0,1,0|2,0,1]=4 378 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-4353846755 [0,0,0,0,1,0|2,0,1]=4 379 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-6762829521 [0,0,0,0,1,0|2,0,1]=4 380 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4384560751 [0,0,0,0,1,0|2,0,1]=4 381 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4859224613 [0,0,0,0,1,0|2,0,1]=4 382 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4974717674 [0,0,0,0,1,0|2,0,1]=4 383 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-7170111497 [0,0,0,0,1,0|2,0,1]=4 384 B8R0.18 CC(C)[C@H](NO)C(=O)O MCULE-4203177410 [0,0,0,0,1,0|2,0,1]=4 385 B8R0.18 CCC(C(=O)C)C(=O)C MCULE-2654310210 [0,0,0,0,1,0|2,0,0]=3 386 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-6595833151 [0,0,0,0,1,0|1,0,1]=3 387 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-8541174028 [0,0,0,0,1,0|1,0,1]=3 388 B8R0.18 CCC(C(=O)Cl)C(=O)Cl MCULE-8542721391 [0,0,0,0,1,0|3,0,0]=4 389 B8R0.18 CCC(C(=O)O)C(=O)O MCULE-3288957588 [0,0,0,0,1,0|2,0,0]=3 390 B8R0.18 CCC(C(=O)O)C(C)C MCULE-5914693527 [0,0,0,0,1,0|2,0,1]=4 391 B8R0.18 CCC(C(=O)O)C(C)N MCULE-2976322800 [0,0,0,0,1,0|2,0,1]=4 392 B8R0.18 CCC(C(=O)O)C(C)O MCULE-1064081188 [0,0,0,0,1,0|1,0,2]=4 393 B8R0.18 CCC(C(=O)O)N(C)C MCULE-4235177725 [0,0,0,0,1,0|3,0,0]=4 394 B8R0.18 CCC(C(=O)[O-])C(=O)[O-] MCULE-5481544745 [0,0,0,0,1,0|2,0,1]=4 395 B8R0.18 CC[C@@H](C(=O)O)N(C)C MCULE-3756764540 [0,0,0,0,1,0|3,0,0]=4 396 B8R0.18 CC[C@H](C(=O)O)N(C)C MCULE-4719850768 [0,0,0,0,1,0|3,0,0]=4 397 B8R0.18 CN(C)C(CN)C(=O)O MCULE-6449978430 [0,0,0,0,1,0|3,0,0]=4 398 B8R0.18 COC(C(=O)C)C(=O)C MCULE-2169553892 [0,0,0,0,1,0|3,0,0]=4 399 B10R0.70 CC(=O)O[C@H](CBr)CC(=O)O MCULE-9706634607 [0,0,0,0,0,1|2,0,0]=3 400 B10R0.84 CCC(CCC(=O)C)C(=O)O MCULE-2983781440 [0,0,0,0,0,1|2,0,0]=3 401 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [2,0,0,0,0,0|1,0,1]=4 402 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [2,0,0,0,0,0|1,0,1]=4 403 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [2,0,0,0,0,0|1,0,1]=4 404 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [2,0,0,0,0,0|1,0,1]=4 405 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [2,0,0,0,0,0|0,0,0]=2 406 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [2,0,0,0,0,0|1,0,0]=3 407 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [2,0,0,0,0,0|1,0,0]=3 408 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [2,0,0,0,0,0|1,0,1]=4 409 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [2,0,0,0,0,0|1,0,1]=4 410 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [2,0,0,0,0,0|1,0,1]=4 411 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [2,0,0,0,0,0|1,0,1]=4 412 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [2,0,0,0,0,0|1,0,1]=4 413 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [2,0,0,0,0,0|1,0,1]=4 414 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [2,0,0,0,0,0|1,0,1]=4 415 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [2,0,0,0,0,0|1,0,1]=4 416 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [2,0,0,0,0,0|0,0,1]=3 417 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [2,0,0,0,0,0|0,0,1]=3 418 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [2,0,0,0,0,0|0,0,1]=3 419 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [2,0,0,0,0,0|1,0,1]=4 420 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [2,0,0,0,0,0|1,0,1]=4 421 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [2,0,0,0,0,0|2,0,0]=4 422 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [2,0,0,0,0,0|2,0,0]=4 423 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [2,0,0,0,0,0|2,0,0]=4 424 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [2,0,0,0,0,0|2,0,0]=4 425 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [2,0,0,0,0,0|2,0,0]=4 426 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [2,0,0,0,0,0|0,0,0]=2 427 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [2,0,0,0,0,0|0,0,0]=2 428 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [2,0,0,0,0,0|1,0,1]=4 429 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [2,0,0,0,0,0|1,0,1]=4 430 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [2,0,0,0,0,0|1,0,1]=4 431 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [2,0,0,0,0,0|1,0,1]=4 432 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [2,0,0,0,0,0|0,0,1]=3 433 B7R0.15 CCC(CO)C(=O)[O-] MCULE-4277685135 [2,0,0,0,0,0|0,0,2]=4 434 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [2,0,0,0,0,0|2,0,0]=4 435 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [2,0,0,0,0,0|2,0,0]=4 436 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [2,0,0,0,0,0|1,0,0]=3 437 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [2,0,0,0,0,0|1,0,0]=3 438 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [2,0,0,0,0,0|2,0,0]=4 439 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [2,0,0,0,0,0|1,0,1]=4 440 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [2,0,0,0,0,0|2,0,0]=4 441 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [2,0,0,0,0,0|2,0,0]=4 442 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [2,0,0,0,0,0|1,0,1]=4 443 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [2,0,0,0,0,0|1,0,1]=4 444 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [2,0,0,0,0,0|1,0,1]=4 445 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [2,0,0,0,0,0|1,0,1]=4 446 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [2,0,0,0,0,0|1,0,1]=4 447 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [2,0,0,0,0,0|0,0,1]=3 448 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [2,0,0,0,0,0|2,0,0]=4 449 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [2,0,0,0,0,0|2,0,0]=4 450 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [2,0,0,0,0,0|2,0,0]=4 451 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [2,0,0,0,0,0|2,0,0]=4 452 B7R0.15 CNC(CN)C(=O)N MCULE-4431940195 [2,0,0,0,0,0|2,0,0]=4 453 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [2,0,0,0,0,0|0,0,0]=2 454 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [2,0,0,0,0,0|0,0,0]=2 455 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [2,0,0,0,0,0|0,1,0]=3 456 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [2,0,0,0,0,0|0,1,0]=3 457 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [2,0,0,0,0,0|1,0,0]=3 458 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [2,0,0,0,0,0|1,0,0]=3 459 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [2,0,0,0,0,0|0,0,0]=2 460 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [2,0,0,0,0,0|0,0,0]=2 461 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [2,0,0,0,0,0|0,0,0]=2 462 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [2,0,0,0,0,0|0,0,0]=2 463 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [2,0,0,0,0,0|0,1,0]=3 464 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [2,0,0,0,0,0|0,1,0]=3 465 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [2,0,0,0,0,0|0,0,0]=2 466 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [2,0,0,0,0,0|0,0,0]=2 467 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [2,0,0,0,0,0|2,0,0]=4 468 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [2,0,0,0,0,0|2,0,0]=4 469 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [2,0,0,0,0,0|2,0,0]=4 470 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [2,0,0,0,0,0|2,0,0]=4 471 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [2,0,0,0,0,0|2,0,0]=4 472 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [2,0,0,0,0,0|1,0,1]=4 473 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [2,0,0,0,0,0|1,0,1]=4 474 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [2,0,0,0,0,0|1,0,1]=4 475 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [2,0,0,0,0,0|1,0,1]=4 476 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [2,0,0,0,0,0|1,0,1]=4 477 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [2,0,0,0,0,0|1,0,0]=3 478 B7R0.2 C=CC(C)OC(=O)C MCULE-9221300039 [2,0,0,0,0,0|2,0,0]=4 479 B7R0.2 CC(=O)NC(=O)CBr MCULE-3222708274 [2,0,0,0,0,0|1,0,1]=4 480 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [2,0,0,0,0,0|1,0,1]=4 481 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [2,0,0,0,0,0|1,0,1]=4 482 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [2,0,0,0,0,0|0,0,1]=3 483 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [2,0,0,0,0,0|0,0,1]=3 484 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [2,0,0,0,0,0|0,0,1]=3 485 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [2,0,0,0,0,0|2,0,0]=4 486 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [2,0,0,0,0,0|2,0,0]=4 487 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [2,0,0,0,0,0|2,0,0]=4 488 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [2,0,0,0,0,0|2,0,0]=4 489 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [2,0,0,0,0,0|2,0,0]=4 490 B7R0.6 C=C(Br)CNC(=O)C MCULE-4123179812 [2,0,0,0,0,0|2,0,0]=4 491 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [2,0,0,0,0,0|2,0,0]=4 492 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [2,0,0,0,0,0|1,0,0]=3 493 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [2,0,0,0,0,0|2,0,0]=4 494 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [2,0,0,0,0,0|1,0,1]=4 495 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [2,0,0,0,0,0|1,0,1]=4 496 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [2,0,0,0,0,0|2,0,0]=4 497 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [2,0,0,0,0,0|2,0,0]=4 498 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [2,0,0,0,0,0|1,0,0]=3 499 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [2,0,0,0,0,0|1,0,1]=4 500 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [2,0,0,0,0,0|1,0,0]=3 501 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [2,0,0,0,0,0|2,0,0]=4 502 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [2,0,0,0,0,0|2,0,0]=4 503 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [2,0,0,0,0,0|1,0,0]=3 504 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [2,0,0,0,0,0|1,0,0]=3 505 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [2,0,0,0,0,0|0,0,0]=2 506 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [2,0,0,0,0,0|1,0,1]=4 507 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [2,0,0,0,0,0|2,0,0]=4 508 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [2,0,0,0,0,0|2,0,0]=4 509 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [2,0,0,0,0,0|1,0,0]=3 510 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [2,0,0,0,0,0|1,0,0]=3 511 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [2,0,0,0,0,0|0,1,0]=3 512 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [2,0,0,0,0,0|1,0,1]=4 513 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [2,0,0,0,0,0|1,0,1]=4 514 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [2,0,0,0,0,0|2,0,0]=4 515 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [2,0,0,0,0,0|2,0,0]=4 516 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [2,0,0,0,0,0|2,0,0]=4 517 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [2,0,0,0,0,0|2,0,0]=4 518 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [2,0,0,0,0,0|1,0,0]=3 519 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [2,0,0,0,0,0|2,0,0]=4 520 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [2,0,0,0,0,0|1,1,0]=4 521 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [2,0,0,0,0,0|2,0,0]=4 522 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [2,0,0,0,0,0|2,0,0]=4 523 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [2,0,0,0,0,0|2,0,0]=4 524 B9R0.13 CCCCC(CO)C(=O)O MCULE-7586035948 [1,1,0,0,0,0|1,0,1]=4 525 B9R0.13 CCCC[C@@H](CO)C(=O)O MCULE-4035754044 [1,1,0,0,0,0|1,0,1]=4 526 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-1956509117 [1,1,0,0,0,0|1,0,1]=4 527 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-3776577040 [1,1,0,0,0,0|1,0,1]=4 528 B9R0.15 CCCC(NC=O)C(=O)O MCULE-7516123408 [1,1,0,0,0,0|1,0,0]=3 529 B9R0.15 COCC(COC)C(=O)O MCULE-6082875325 [1,1,0,0,0,0|2,0,0]=4 530 B9R0.29 CCC(C(=O)O)N(C)CC MCULE-1956799237 [1,1,0,0,0,0|1,0,1]=4 531 B9R0.33 CC(C)[C@H](NC=O)C(=O)O MCULE-7474560828 [1,1,0,0,0,0|1,0,0]=3 532 B9R0.33 CC(C)[C@H](NC=O)C(=O)O MCULE-9296824406 [1,1,0,0,0,0|1,0,0]=3 533 B9R0.33 CCNC(C(=O)O)C(C)C MCULE-2742420034 [1,1,0,0,0,0|1,0,1]=4 534 B9R0.33 CCNC(C(=O)O)C(C)C MCULE-6750636271 [1,1,0,0,0,0|1,0,1]=4 535 B9R0.11 C=C(C)CC(C)(C)C(=O)O MCULE-2137357994 [1,1,0,0,0,0|2,0,0]=4 536 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [1,1,0,0,0,0|1,0,0]=3 537 B9R0.11 CC(=O)NC(C)(C)C(=O)O MCULE-7910205661 [1,1,0,0,0,0|0,0,0]=2 538 B9R0.11 CC(=O)OC(C)(C)C(=O)Br MCULE-1873853072 [1,1,0,0,0,0|2,0,0]=4 539 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl MCULE-8604882443 [1,1,0,0,0,0|2,0,0]=4 540 B9R0.11 CC(=O)OC(C)(C)C(=O)O MCULE-7786541244 [1,1,0,0,0,0|1,0,0]=3 541 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [1,1,0,0,0,0|2,0,0]=4 542 B9R0.11 CC(C)(NC(=O)N)C(=O)O MCULE-3780805662 [1,1,0,0,0,0|1,0,0]=3 543 B9R0.11 CC(F)(NC(=O)N)C(=O)O MCULE-5893224532 [1,1,0,0,0,0|1,0,0]=3 544 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [1,1,0,0,0,0|2,0,0]=4 545 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [1,1,0,0,0,0|2,0,0]=4 546 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [1,1,0,0,0,0|2,0,0]=4 547 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [1,1,0,0,0,0|2,0,0]=4 548 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [1,1,0,0,0,0|2,0,0]=4 549 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [1,1,0,0,0,0|2,0,0]=4 550 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [1,1,0,0,0,0|2,0,0]=4 551 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [1,1,0,0,0,0|2,0,0]=4 552 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [1,1,0,0,0,0|2,0,0]=4 553 B9R0.23 C=C(NC(=O)C)C(=O)OC MCULE-8995388871 [1,1,0,0,0,0|0,0,2]=4 554 B9R0.23 CNC(=O)C(C)NC(=O)C MCULE-9465926492 [1,1,0,0,0,0|1,0,0]=3 555 B9R0.23 CNC(=O)[C@H](C)NC(=O)C MCULE-5078086866 [1,1,0,0,0,0|1,0,0]=3 556 B9R0.23 CNC(=O)[C@H](C)NC(=O)C MCULE-8878746603 [1,1,0,0,0,0|1,0,0]=3 557 B9R0.23 COC(=O)C(=CC(=O)C)O MCULE-4086335030 [1,1,0,0,0,0|1,0,1]=4 558 B9R0.23 COC(=O)C(C)CC(=O)C MCULE-2131243248 [1,1,0,0,0,0|1,0,0]=3 559 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [1,1,0,0,0,0|2,0,0]=4 560 B9R0.23 COC(=O)C(C)NC(=O)C MCULE-7499205437 [1,1,0,0,0,0|0,0,0]=2 561 B9R0.23 COC(=O)C(C)NC(=O)C MCULE-9931125485 [1,1,0,0,0,0|0,0,0]=2 562 B9R0.23 COC(=O)C(C)OC(=O)C MCULE-7908136641 [1,1,0,0,0,0|1,0,0]=3 563 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [1,1,0,0,0,0|2,0,0]=4 564 B9R0.23 COC(=O)[C@@H](C)NC(=O)C MCULE-3683972950 [1,1,0,0,0,0|0,0,0]=2 565 B9R0.23 COC(=O)[C@@H](C)NC(=O)C MCULE-9078107491 [1,1,0,0,0,0|0,0,0]=2 566 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4149383309 [1,1,0,0,0,0|2,0,0]=4 567 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4834047702 [1,1,0,0,0,0|2,0,0]=4 568 B9R0.23 COC(=O)[C@H](C)NC(=O)C MCULE-9272877417 [1,1,0,0,0,0|0,0,0]=2 569 B9R0.23 COC(=O)[C@H](C)NC(=O)C MCULE-9675191541 [1,1,0,0,0,0|0,0,0]=2 570 B9R0.23 COC(=O)[C@H](C)OC(=O)C MCULE-7231856462 [1,1,0,0,0,0|1,0,0]=3 571 B9R0.23 COC(=O)[C@H](C)OC(=O)C MCULE-9967813219 [1,1,0,0,0,0|1,0,0]=3 572 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-2124989741 [1,1,0,0,0,0|2,0,0]=4 573 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-9803650256 [1,1,0,0,0,0|2,0,0]=4 574 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [1,1,0,0,0,0|2,0,0]=4 575 B9R0.42 C=C(NC(=O)CCl)C(=O)O MCULE-5735536490 [1,1,0,0,0,0|0,0,2]=4 576 B9R0.42 C=C(NC(=O)CN)C(=O)O MCULE-8924892837 [1,1,0,0,0,0|0,0,2]=4 577 B9R0.42 C=CC(=O)NC(O)C(=O)O MCULE-6399920412 [1,1,0,0,0,0|0,0,1]=3 578 B9R0.42 CC(NC(=O)CCl)C(=O)O MCULE-6899086052 [1,1,0,0,0,0|0,0,0]=2 579 B9R0.42 CC(NC(=O)CN)C(=O)N MCULE-2418100977 [1,1,0,0,0,0|1,0,0]=3 580 B9R0.42 CC(NC(=O)CN)C(=O)N MCULE-5562877537 [1,1,0,0,0,0|1,0,0]=3 581 B9R0.42 CC(NC(=O)CN)C(=O)O MCULE-2027405418 [1,1,0,0,0,0|0,0,0]=2 582 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [1,1,0,0,0,0|2,0,0]=4 583 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [1,1,0,0,0,0|2,0,0]=4 584 B9R0.42 CCC(=O)NC(C)C(=O)O MCULE-5488194337 [1,1,0,0,0,0|0,0,0]=2 585 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O MCULE-5552061501 [1,1,0,0,0,0|0,0,0]=2 586 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [1,1,0,0,0,0|2,0,0]=4 587 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [1,1,0,0,0,0|2,0,0]=4 588 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [1,1,0,0,0,0|2,0,0]=4 589 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [1,1,0,0,0,0|2,0,0]=4 590 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [1,1,0,0,0,0|2,0,0]=4 591 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [1,1,0,0,0,0|2,0,0]=4 592 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [1,1,0,0,0,0|1,0,0]=3 593 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [1,1,0,0,0,0|1,0,0]=3 594 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [1,1,0,0,0,0|2,0,0]=4 595 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [1,1,0,0,0,0|2,0,0]=4 596 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [1,1,0,0,0,0|2,0,0]=4 597 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [1,1,0,0,0,0|1,0,0]=3 598 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl MCULE-7326666072 [1,1,0,0,0,0|2,0,0]=4 599 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [1,1,0,0,0,0|1,0,0]=3 600 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [1,1,0,0,0,0|1,0,0]=3 601 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [1,1,0,0,0,0|2,0,0]=4 602 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [1,1,0,0,0,0|2,0,0]=4 603 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [1,1,0,0,0,0|2,0,0]=4 604 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [1,1,0,0,0,0|2,0,0]=4 605 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [1,1,0,0,0,0|1,0,0]=3 606 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [1,1,0,0,0,0|1,0,0]=3 607 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [1,1,0,0,0,0|1,0,0]=3 608 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [1,1,0,0,0,0|2,0,0]=4 609 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [1,1,0,0,0,0|2,0,0]=4 610 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [1,1,0,0,0,0|2,0,0]=4 611 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [1,1,0,0,0,0|2,0,0]=4 612 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [1,1,0,0,0,0|1,0,0]=3 613 B9R0.42 COC(=O)NC(C)C(=O)O MCULE-9255316794 [1,1,0,0,0,0|0,0,0]=2 614 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-3970003504 [1,1,0,0,0,0|0,0,0]=2 615 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-7941497211 [1,1,0,0,0,0|0,0,0]=2 616 B9R0.42 C[C@H](NC(=O)CBr)C(=O)O MCULE-2038149065 [1,1,0,0,0,0|0,0,0]=2 617 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O MCULE-3478867157 [1,1,0,0,0,0|0,0,0]=2 618 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O MCULE-8272505742 [1,1,0,0,0,0|0,0,0]=2 619 B9R0.42 C[C@H](NC(=O)CN)C(=O)N MCULE-1477107832 [1,1,0,0,0,0|1,0,0]=3 620 B9R0.42 C[C@H](NC(=O)CN)C(=O)N MCULE-7070402577 [1,1,0,0,0,0|1,0,0]=3 621 B9R0.42 C[C@H](NC(=O)CN)C(=O)O MCULE-2496637228 [1,1,0,0,0,0|0,0,0]=2 622 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [1,1,0,0,0,0|2,0,0]=4 623 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [1,1,0,0,0,0|2,0,0]=4 624 B9R0.42 [C@@H](C)(NC(=O)CN)C(=O)O MCULE-7578084271 [1,1,0,0,0,0|0,0,0]=2 625 B9R0.57 CC(CS(=O)(=O)C)C(=O)O MCULE-2992876868 [1,1,0,0,0,0|2,0,0]=4 626 B9R0.57 CC(NC(C)(C)C)C(=O)O MCULE-8104914924 [1,1,0,0,0,0|1,0,1]=4 627 B9R0.57 CC(NC(C)(C)C)C(=O)O MCULE-8686537841 [1,1,0,0,0,0|1,0,1]=4 628 B9R0.57 CC(NS(=O)(=O)C)C(=O)O MCULE-2056263094 [1,1,0,0,0,0|1,0,0]=3 629 B9R0.57 CC(OS(=O)(=O)C)C(=O)O MCULE-6814271322 [1,1,0,0,0,0|2,0,0]=4 630 B9R0.57 C[C@@H](OS(=O)(=O)C)C(=O)O MCULE-3187136828 [1,1,0,0,0,0|2,0,0]=4 631 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)O MCULE-2778053479 [1,1,0,0,0,0|2,0,0]=4 632 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)O MCULE-4590226415 [1,1,0,0,0,0|2,0,0]=4 633 B9R0.79 CC(=O)C(C)C(C)C(=O)C MCULE-1642593127 [1,1,0,0,0,0|2,0,0]=4 634 B9R0.79 CC(=O)N(C)C(C)C(=O)O MCULE-8770175961 [1,1,0,0,0,0|0,0,0]=2 635 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [1,1,0,0,0,0|2,0,0]=4 636 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [1,1,0,0,0,0|2,0,0]=4 637 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [1,1,0,0,0,0|2,0,0]=4 638 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [1,1,0,0,0,0|2,0,0]=4 639 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [1,1,0,0,0,0|2,0,0]=4 640 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [1,1,0,0,0,0|2,0,0]=4 641 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [1,1,0,0,0,0|2,0,0]=4 642 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [1,1,0,0,0,0|2,0,0]=4 643 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [1,1,0,0,0,0|2,0,0]=4 644 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [1,1,0,0,0,0|2,0,0]=4 645 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [1,1,0,0,0,0|2,0,0]=4 646 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [1,1,0,0,0,0|2,0,0]=4 647 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [1,1,0,0,0,0|2,0,0]=4 648 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [1,1,0,0,0,0|2,0,0]=4 649 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [1,1,0,0,0,0|2,0,0]=4 650 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [1,1,0,0,0,0|2,0,0]=4 651 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [1,1,0,0,0,0|2,0,0]=4 652 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [1,1,0,0,0,0|2,0,0]=4 653 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [1,1,0,0,0,0|2,0,0]=4 654 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [1,1,0,0,0,0|2,0,0]=4 655 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [1,1,0,0,0,0|2,0,0]=4 656 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [1,1,0,0,0,0|2,0,0]=4 657 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [1,1,0,0,0,0|2,0,0]=4 658 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [1,1,0,0,0,0|2,0,0]=4 659 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [1,1,0,0,0,0|2,0,0]=4 660 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [1,1,0,0,0,0|2,0,0]=4 661 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [1,1,0,0,0,0|2,0,0]=4 662 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [1,1,0,0,0,0|2,0,0]=4 663 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [1,1,0,0,0,0|2,0,0]=4 664 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [1,1,0,0,0,0|2,0,0]=4 665 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [1,1,0,0,0,0|2,0,0]=4 666 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [1,1,0,0,0,0|2,0,0]=4 667 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [1,1,0,0,0,0|2,0,0]=4 668 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [1,1,0,0,0,0|2,0,0]=4 669 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [1,1,0,0,0,0|2,0,0]=4 670 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [1,1,0,0,0,0|2,0,0]=4 671 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [1,1,0,0,0,0|2,0,0]=4 672 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [1,1,0,0,0,0|2,0,0]=4 673 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [1,1,0,0,0,0|2,0,0]=4 674 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-7425540478 [1,1,0,0,0,0|2,0,0]=4 675 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-8338522673 [1,1,0,0,0,0|2,0,0]=4 676 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)O MCULE-2803273406 [1,1,0,0,0,0|2,0,0]=4 677 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-3429484887 [1,1,0,0,0,0|2,0,0]=4 678 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-5385898917 [1,1,0,0,0,0|2,0,0]=4 679 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-9680288022 [1,1,0,0,0,0|2,0,0]=4 680 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [1,1,0,0,0,0|2,0,0]=4 681 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [1,1,0,0,0,0|2,0,0]=4 682 B9R0.79 [C@H](O)(C(=O)[O-])[C@@H](O)C(=O)O MCULE-7449957572 [1,1,0,0,0,0|2,0,0]=4 683 B9R0.54 CC(C)C(C(=O)O)C(=O)O MCULE-5431269503 [0,1,0,0,1,0|2,0,0]=4 684 B9R0.76 CCC(C)(C(=O)O)C(=O)O MCULE-2432593138 [0,1,0,0,1,0|2,0,0]=4 685 B11R0.32 CC(=O)NC(CC(=O)N)C(=O)O MCULE-4878635005 [0,1,0,0,0,1|1,0,1]=4 686 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)N MCULE-5157971327 [0,1,0,0,0,1|0,0,2]=4 687 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O MCULE-8912395007 [0,1,0,0,0,1|0,0,1]=3 688 B11R0.32 CC(=O)NC(NC(=O)C)C(Cl)Cl MCULE-7276471005 [0,1,0,0,0,1|2,0,0]=4 689 B11R0.32 CC(=O)N[C@@H](CC(=O)N)C(=O)O MCULE-4594531393 [0,1,0,0,0,1|1,0,1]=4 690 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)N MCULE-2089104598 [0,1,0,0,0,1|0,0,2]=4 691 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)N MCULE-2463301038 [0,1,0,0,0,1|0,0,2]=4 692 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-2346017798 [0,1,0,0,0,1|0,0,1]=3 693 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-5208660790 [0,1,0,0,0,1|0,0,1]=3 694 B11R0.32 CC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-2258546008 [0,1,0,0,0,1|1,0,1]=4 695 B11R0.32 CC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-5563097482 [0,1,0,0,0,1|1,0,1]=4 696 B11R0.32 NC(=O)NC(CC(=O)O)C(=O)O MCULE-1014975815 [0,1,0,0,0,1|1,0,1]=4 697 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-2523426634 [0,1,0,0,0,1|1,0,1]=4 698 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-3753948535 [0,1,0,0,0,1|1,0,1]=4 699 B11R0.32 [C@@H](CC(=O)N)(NC(=O)C)C(=O)O MCULE-3763271453 [0,1,0,0,0,1|1,0,1]=4 700 B11R0.28 CC(=O)CCC(C(=O)O)C(C)C MCULE-5205208596 [0,1,0,0,0,1|2,0,0]=4 701 B11R0.146 CCCC(CCC(=O)C)C(=O)O MCULE-7919400845 [0,1,0,0,0,1|2,0,0]=4 702 B11R0.275 CC(C)C(=O)N[C@@H](CO)C(=O)O MCULE-3454911567 [0,1,0,0,0,1|1,0,1]=4 703 B11R0.275 CC(N)C(=O)NC(CO)C(=O)O MCULE-4459588964 [0,1,0,0,0,1|1,0,1]=4 704 B11R0.275 C[C@H](N)C(=O)N[C@@H](CO)C(=O)O MCULE-7456544577 [0,1,0,0,0,1|1,0,1]=4 705 B11R0.275 [C@@H](C)(N)C(=O)N[C@@H](CO)C(=O)O MCULE-4947152314 [0,1,0,0,0,1|1,0,1]=4 706 B11R0.39 COC(=O)C(CCBr)OC(=O)C MCULE-9434144963 [0,2,0,0,0,0|2,0,0]=4 707 B11R0.39 COC(=O)C(CCBr)SC(=O)C MCULE-8807713531 [0,2,0,0,0,0|2,0,0]=4 708 B11R0.115 CCC(C)C(NC(=O)C)C(=O)N MCULE-3436837406 [0,2,0,0,0,0|2,0,0]=4 709 B11R0.115 CCC(C)C(NC(=O)C)C(=O)O MCULE-4181667774 [0,2,0,0,0,0|1,0,0]=3 710 B11R0.115 CC[C@H](C)[C@@H](NC(=O)C)C(=O)O MCULE-5204918668 [0,2,0,0,0,0|1,0,0]=3 711 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N MCULE-3623918080 [0,2,0,0,0,0|2,0,0]=4 712 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N MCULE-5822222988 [0,2,0,0,0,0|2,0,0]=4 713 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O MCULE-1874701839 [0,2,0,0,0,0|1,0,0]=3 714 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O MCULE-2741794137 [0,2,0,0,0,0|1,0,0]=3 715 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O MCULE-6557323131 [0,2,0,0,0,0|1,0,0]=3 716 B11R0.115 CNC(=O)[C@@H](NC(=O)C)C(C)C MCULE-6257337423 [0,2,0,0,0,0|2,0,0]=4 717 B11R0.115 COC(=O)C(NC(=O)C)C(C)C MCULE-2098636411 [0,2,0,0,0,0|1,0,0]=3 718 B11R0.115 COC(=O)[C@@H](NC(=O)C)C(C)C MCULE-2606738774 [0,2,0,0,0,0|1,0,0]=3 719 B11R0.115 COC(=O)[C@@H](NC(=O)C)C(C)C MCULE-6470945106 [0,2,0,0,0,0|1,0,0]=3 720 B11R0.115 COC(=O)[C@@H](NC(=O)C)C(O)Cl MCULE-6166541023 [0,2,0,0,0,0|0,0,0]=2 721 B11R0.115 COC(=O)[C@@H](NC(=O)C)[C@@H](C)O MCULE-1574840517 [0,2,0,0,0,0|0,0,0]=2 722 B11R0.115 COC(=O)[C@@H](NC(=O)C)[C@@H](C)O MCULE-8509991327 [0,2,0,0,0,0|0,0,0]=2 723 B11R0.115 [C@@H](C)(CC)[C@@H](NC(=O)C)C(=O)O MCULE-5237529088 [0,2,0,0,0,0|1,0,0]=3 724 B11R0.115 [C@@H](NC(=O)C)(C(=O)O)C(C)CC MCULE-8702697039 [0,2,0,0,0,0|1,0,0]=3 725 B11R0.115 [C@@H](NC(=O)N)(C(=O)O)C(C)CC MCULE-3282905656 [0,2,0,0,0,0|2,0,0]=4 726 B11R0.115 [C@H](C)(CC)[C@@H](NC(=O)C)C(=O)O MCULE-2360572915 [0,2,0,0,0,0|1,0,0]=3 727 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O MCULE-1427956391 [0,2,0,0,0,0|1,0,0]=3 728 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O MCULE-1647417475 [0,2,0,0,0,0|1,0,0]=3 729 B11R0.160 CC(=O)N[C@@H](CSN=O)C(=O)O MCULE-4397408409 [0,2,0,0,0,0|0,0,1]=3 730 B11R0.160 CCCCC(NC(=O)C)C(=O)C MCULE-9516659128 [0,2,0,0,0,0|2,0,0]=4 731 B11R0.160 CCCCC(NC(=O)C)C(=O)O MCULE-1796227277 [0,2,0,0,0,0|1,0,0]=3 732 B11R0.160 CCCCC(NC(=O)C)C(=O)O MCULE-2709462387 [0,2,0,0,0,0|1,0,0]=3 733 B11R0.160 CCCCC(NC(=O)N)C(=O)O MCULE-2177545582 [0,2,0,0,0,0|2,0,0]=4 734 B11R0.160 CCCC[C@@H](NC(=O)C)C(=O)O MCULE-5788818981 [0,2,0,0,0,0|1,0,0]=3 735 B11R0.160 CCCC[C@@H](NC(=O)C)C(=O)O MCULE-8915739057 [0,2,0,0,0,0|1,0,0]=3 736 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)O MCULE-3651693998 [0,2,0,0,0,0|1,0,0]=3 737 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)O MCULE-4560203101 [0,2,0,0,0,0|1,0,0]=3 738 B11R0.160 CCSCC(NC(=O)C)C(=O)O MCULE-9115578925 [0,2,0,0,0,0|0,1,0]=3 739 B11R0.160 CCSC[C@H](NC(=O)C)C(=O)O MCULE-5694706376 [0,2,0,0,0,0|0,1,0]=3 740 B11R0.160 COCCC(NC(=O)C)C(=O)O MCULE-9296272594 [0,2,0,0,0,0|0,0,0]=2 741 B11R0.160 CSCCC(NC(=O)C)C(=O)N MCULE-1955833225 [0,2,0,0,0,0|1,1,0]=4 742 B11R0.160 CSCCC(NC(=O)C)C(=O)O MCULE-6118079123 [0,2,0,0,0,0|0,1,0]=3 743 B11R0.160 CSCCC(NC(=O)N)C(=O)O MCULE-8995512478 [0,2,0,0,0,0|1,1,0]=4 744 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)O MCULE-3164935915 [0,2,0,0,0,0|0,1,0]=3 745 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)O MCULE-9459431743 [0,2,0,0,0,0|0,1,0]=3 746 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N MCULE-3483850242 [0,2,0,0,0,0|1,1,0]=4 747 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N MCULE-9538917660 [0,2,0,0,0,0|1,1,0]=4 748 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)O MCULE-8710138272 [0,2,0,0,0,0|0,1,0]=3 749 B11R0.160 CSCC[C@H](NC(=O)N)C(=O)O MCULE-5006828039 [0,2,0,0,0,0|1,1,0]=4 750 B11R0.160 O=C(O)CC(NCCO)C(=O)O MCULE-9792724168 [0,2,0,0,0,0|2,0,0]=4 751 B11R0.160 [C@@H](CCSC)(NC(=O)C)C(=O)O MCULE-5012891970 [0,2,0,0,0,0|0,1,0]=3 752 B11R0.236 C=CCC(NC(=O)OC)C(=O)O MCULE-2603702971 [0,2,0,0,0,0|1,0,0]=3 753 B11R0.236 C=CC[C@H](NC(=O)OC)C(=O)O MCULE-2015140127 [0,2,0,0,0,0|1,0,0]=3 754 B11R0.236 C=CC[C@H](NC(=O)OC)C(=O)O MCULE-3332528356 [0,2,0,0,0,0|1,0,0]=3 755 B11R0.236 CCCC(NC(=O)CCl)C(=O)O MCULE-4178827028 [0,2,0,0,0,0|1,0,0]=3 756 B11R0.236 CCCC(NC(=O)CN)C(=O)O MCULE-3680152818 [0,2,0,0,0,0|1,0,0]=3 757 B11R0.236 CCC[C@H](NC(=O)CCl)C(=O)O MCULE-2223443521 [0,2,0,0,0,0|1,0,0]=3 758 B11R0.88 COC(=O)NC(CCl)C(=O)OC MCULE-4283941967 [0,2,0,0,0,0|1,0,0]=3 759 B11R0.88 COC(=O)NC(OC)C(=O)OC MCULE-5133855331 [0,2,0,0,0,0|2,0,0]=4 760 B11R0.88 COC(=O)N[C@@H](CCl)C(=O)OC MCULE-9559637341 [0,2,0,0,0,0|1,0,0]=3 761 B11R0.108 CC(=O)C(NC(=O)CCl)C(C)C MCULE-1540767020 [0,2,0,0,0,0|2,0,0]=4 762 B11R0.108 CC(C)C(NC(=O)CCl)C(=O)O MCULE-1203892200 [0,2,0,0,0,0|1,0,0]=3 763 B11R0.108 CC(C)C(NC(=O)CN)C(=O)O MCULE-4472224636 [0,2,0,0,0,0|1,0,0]=3 764 B11R0.108 CC(C)C(NC(=O)CN)C(=O)O MCULE-6309803593 [0,2,0,0,0,0|1,0,0]=3 765 B11R0.108 CC(C)[C@@H](NC(=O)CN)C(=O)O MCULE-5092294978 [0,2,0,0,0,0|1,0,0]=3 766 B11R0.108 CC(C)[C@@H](NC(=O)CN)C(=O)O MCULE-9121632356 [0,2,0,0,0,0|1,0,0]=3 767 B11R0.108 CC(C)[C@H](NC(=O)CCl)C(=O)O MCULE-2586080519 [0,2,0,0,0,0|1,0,0]=3 768 B11R0.108 CC(C)[C@H](NC(=O)CCl)C(=O)O MCULE-6553558540 [0,2,0,0,0,0|1,0,0]=3 769 B11R0.108 CC(C)[C@H](NC(=O)CN)C(=O)O MCULE-3588102951 [0,2,0,0,0,0|1,0,0]=3 770 B11R0.108 CC(C)[C@H](NC(=O)CN)C(=O)O MCULE-6230197891 [0,2,0,0,0,0|1,0,0]=3 771 B11R0.108 CC(O)C(NC(=O)CN)C(=O)O MCULE-7916237125 [0,2,0,0,0,0|0,0,0]=2 772 B11R0.108 CCC(=O)N[C@H](C(=O)O)C(C)C MCULE-2868833515 [0,2,0,0,0,0|1,0,0]=3 773 B11R0.108 CCC(=O)N[C@H](C(=O)O)C(C)C MCULE-7972254981 [0,2,0,0,0,0|1,0,0]=3 774 B11R0.108 COC(=O)NC(C(=O)O)C(C)C MCULE-3178281275 [0,2,0,0,0,0|1,0,0]=3 775 B11R0.108 COC(=O)NC(C(=O)O)C(C)C MCULE-5609688099 [0,2,0,0,0,0|1,0,0]=3 776 B11R0.108 COC(=O)N[C@@H](C(=O)O)C(C)C MCULE-2004220305 [0,2,0,0,0,0|1,0,0]=3 777 B11R0.108 COC(=O)N[C@H](C(=O)O)C(C)C MCULE-4761998877 [0,2,0,0,0,0|1,0,0]=3 778 B11R0.108 COC(=O)N[C@H](C(=O)O)C(C)C MCULE-5593997568 [0,2,0,0,0,0|1,0,0]=3 779 B11R0.108 C[C@@H](O)[C@H](NC(=O)CN)C(=O)O MCULE-2110837373 [0,2,0,0,0,0|0,0,0]=2 780 B11R0.108 C[C@@H](O)[C@H](NC(=O)CN)C(=O)O MCULE-4652714687 [0,2,0,0,0,0|0,0,0]=2 781 B11R0.108 [C@H](NC(=O)OC)(C(=O)O)C(C)C MCULE-6608047361 [0,2,0,0,0,0|1,0,0]=3 782 B11R0.278 CC[C@@H](C(=O)O)N(C)C(=O)CCl MCULE-5309540395 [0,2,0,0,0,0|1,0,0]=3 783 B11R0.56 CCOC(=O)C(C#N)NC(=O)C MCULE-5934292588 [0,2,0,0,0,0|1,0,1]=4 784 B11R0.56 CCOC(=O)C(CS)NC(=O)C MCULE-1175068125 [0,2,0,0,0,0|0,1,0]=3 785 B11R0.56 CCOC(=O)[C@H](CS)NC(=O)C MCULE-7006884800 [0,2,0,0,0,0|0,1,0]=3 786 B11R0.56 CCOC(=O)[C@H](CS)NC(=O)C MCULE-7933118972 [0,2,0,0,0,0|0,1,0]=3 787 B11R0.426 CC(C)C(NS(=O)(=O)C)C(=O)O MCULE-9167493892 [0,2,0,0,0,0|2,0,0]=4 788 B11R0.426 CC(C)[C@H](NS(=O)(=O)C)C(=O)O MCULE-8204241734 [0,2,0,0,0,0|2,0,0]=4 789 B11R0.427 CC(=O)NC(C)(C(=O)O)C(C)C MCULE-6185233720 [0,2,0,0,0,0|1,0,0]=3 790 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)C MCULE-8664701798 [0,2,0,0,0,0|1,0,0]=3 791 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)S MCULE-4274464810 [0,2,0,0,0,0|0,1,0]=3 792 B11R0.234 CC(=O)N[C@@H](C(=O)O)C(C)(C)C MCULE-1949334332 [0,2,0,0,0,0|1,0,0]=3 793 B11R0.234 CC(=O)N[C@@H](C(=O)O)C(C)(C)S MCULE-3114286376 [0,2,0,0,0,0|0,1,0]=3 794 B11R0.234 CC(=O)N[C@@H](C(=O)O)C(C)(C)S MCULE-6911816639 [0,2,0,0,0,0|0,1,0]=3 795 B11R0.234 CC(=O)N[C@H](C(=O)O)C(C)(C)C MCULE-2109188969 [0,2,0,0,0,0|1,0,0]=3 796 B11R0.234 CC(=O)N[C@H](C(=O)O)C(C)(C)C MCULE-4518125072 [0,2,0,0,0,0|1,0,0]=3 797 B11R0.234 CC(=O)OC(C(=O)O)C(F)(F)F MCULE-5424769307 [0,2,0,0,0,0|2,0,0]=4 798 B11R0.234 CC(C)(C)C(NC(=O)N)C(=O)O MCULE-8574533977 [0,2,0,0,0,0|2,0,0]=4 799 B11R0.234 CC(C)NC(C(=O)O)C(C)(C)O MCULE-1263590638 [0,2,0,0,0,0|1,0,1]=4 800 B9R1.6 C1(CNCCN1)C(=O)O MCULE-2145678876 [1,0,0,1,0,0|1,0,1]=4 801 B9R1.6 C1(CNCCN1)C(=O)O MCULE-9477513225 [1,0,0,1,0,0|1,0,1]=4 802 B9R1.6 C1(COCCN1)C(=O)O MCULE-7653061162 [1,0,0,1,0,0|0,0,1]=3 803 B9R1.6 C1(COCCN1)C(=O)O MCULE-8375563970 [1,0,0,1,0,0|0,0,1]=3 804 B9R1.6 NC(=O)C1COCCN1 MCULE-3997305592 [1,0,0,1,0,0|1,0,1]=4 805 B9R1.6 NC(=O)C1COCCN1 MCULE-8679226087 [1,0,0,1,0,0|1,0,1]=4 806 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-1904729907 [1,0,0,1,0,0|1,0,1]=4 807 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-7069433109 [1,0,0,1,0,0|1,0,1]=4 808 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-7970834070 [1,0,0,1,0,0|1,0,1]=4 809 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-9117686776 [1,0,0,1,0,0|1,0,1]=4 810 B9R1.6 O=C(O)C1C=CCCC1 MCULE-7827178223 [1,0,0,1,0,0|2,0,0]=4 811 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [1,0,0,1,0,0|1,0,1]=4 812 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [1,0,0,1,0,0|1,0,1]=4 813 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [1,0,0,1,0,0|1,0,1]=4 814 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [1,0,0,1,0,0|1,0,1]=4 815 B9R1.6 O=C(O)C1CCCNN1 MCULE-1480488255 [1,0,0,1,0,0|2,0,0]=4 816 B9R1.6 O=C(O)C1CCCNN1 MCULE-3054116225 [1,0,0,1,0,0|2,0,0]=4 817 B9R1.6 O=C(O)C1CCCOC1 MCULE-3431951803 [1,0,0,1,0,0|1,0,1]=4 818 B9R1.6 O=C(O)C1CNCCN1 MCULE-2689074129 [1,0,0,1,0,0|1,0,1]=4 819 B9R1.6 O=C(O)C1CNCCN1 MCULE-4697614875 [1,0,0,1,0,0|1,0,1]=4 820 B9R1.6 O=C(O)C1CNCCN1 MCULE-7015381558 [1,0,0,1,0,0|1,0,1]=4 821 B9R1.6 O=C(O)C1COCCN1 MCULE-2235592409 [1,0,0,1,0,0|0,0,1]=3 822 B9R1.6 O=C(O)C1COCCN1 MCULE-6865044459 [1,0,0,1,0,0|0,0,1]=3 823 B9R1.6 O=C(O)C1COCCO1 MCULE-3887767361 [1,0,0,1,0,0|1,0,1]=4 824 B9R1.6 O=C(O)C1COCCO1 MCULE-6027603960 [1,0,0,1,0,0|1,0,1]=4 825 B9R1.6 O=C(O)C1COCOC1 MCULE-4867087023 [1,0,0,1,0,0|2,0,0]=4 826 B9R1.6 O=C(O)C1CSCCN1 MCULE-4003309722 [1,0,0,1,0,0|0,1,1]=4 827 B9R1.6 O=C(O)C1CSCCN1 MCULE-5519716572 [1,0,0,1,0,0|0,1,1]=4 828 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [1,0,0,1,0,0|1,0,1]=4 829 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [1,0,0,1,0,0|1,0,1]=4 830 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [1,0,0,1,0,0|1,0,1]=4 831 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [1,0,0,1,0,0|1,0,1]=4 832 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-1404699605 [1,0,0,1,0,0|2,0,0]=4 833 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-4463982289 [1,0,0,1,0,0|2,0,0]=4 834 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-6113826647 [1,0,0,1,0,0|2,0,0]=4 835 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-8270310960 [1,0,0,1,0,0|1,0,1]=4 836 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-9211958407 [1,0,0,1,0,0|1,0,1]=4 837 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-2545046706 [1,0,0,1,0,0|1,0,1]=4 838 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-5694807182 [1,0,0,1,0,0|1,0,1]=4 839 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7177432982 [1,0,0,1,0,0|1,0,1]=4 840 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7413709257 [1,0,0,1,0,0|1,0,1]=4 841 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-1789021231 [1,0,0,1,0,0|0,0,1]=3 842 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-4026574279 [1,0,0,1,0,0|0,0,1]=3 843 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-7736477261 [1,0,0,1,0,0|0,0,1]=3 844 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-8166049277 [1,0,0,1,0,0|0,0,1]=3 845 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-3560012987 [1,0,0,1,0,0|1,0,1]=4 846 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-8883141087 [1,0,0,1,0,0|1,0,1]=4 847 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-3905601111 [1,0,0,1,0,0|0,1,1]=4 848 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9668825603 [1,0,0,1,0,0|0,1,1]=4 849 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9675980130 [1,0,0,1,0,0|0,1,1]=4 850 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [1,0,0,1,0,0|1,0,1]=4 851 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [1,0,0,1,0,0|1,0,1]=4 852 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [1,0,0,1,0,0|1,0,1]=4 853 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [1,0,0,1,0,0|1,0,1]=4 854 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-5460978548 [1,0,0,1,0,0|2,0,0]=4 855 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-6296084302 [1,0,0,1,0,0|2,0,0]=4 856 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-3913162278 [1,0,0,1,0,0|1,0,1]=4 857 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-4021468329 [1,0,0,1,0,0|1,0,1]=4 858 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-2073761586 [1,0,0,1,0,0|1,0,1]=4 859 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-3099021896 [1,0,0,1,0,0|1,0,1]=4 860 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-5862899979 [1,0,0,1,0,0|1,0,1]=4 861 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-8591926633 [1,0,0,1,0,0|1,0,1]=4 862 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-9781518658 [1,0,0,1,0,0|1,0,1]=4 863 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-2388461804 [1,0,0,1,0,0|0,0,1]=3 864 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-3810653827 [1,0,0,1,0,0|0,0,1]=3 865 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-6589310258 [1,0,0,1,0,0|0,0,1]=3 866 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-9158991594 [1,0,0,1,0,0|0,0,1]=3 867 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-6591475838 [1,0,0,1,0,0|1,0,1]=4 868 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-9849453248 [1,0,0,1,0,0|1,0,1]=4 869 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-2174373928 [1,0,0,1,0,0|0,1,1]=4 870 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-5936347595 [1,0,0,1,0,0|0,1,1]=4 871 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-8464504119 [1,0,0,1,0,0|0,1,1]=4 872 B9R1.6 [C@H]1(CSCCN1)C(=O)O MCULE-2592294388 [1,0,0,1,0,0|0,1,1]=4 873 B9R1.22 CCC1NC(=O)NC1=O MCULE-7573161756 [1,0,0,1,0,0|2,0,0]=4 874 B9R1.22 CC[C@@H]1NC(=O)OC1=O MCULE-8362688943 [1,0,0,1,0,0|1,0,0]=3 875 B9R1.22 CC[C@H]1NC(=O)OC1=O MCULE-2218316523 [1,0,0,1,0,0|1,0,0]=3 876 B9R1.22 NCC1NC(=O)NC1=O MCULE-3949033042 [1,0,0,1,0,0|2,0,0]=4 877 B9R1.22 O=C1NC(=O)C(N1)CO MCULE-3745105690 [1,0,0,1,0,0|1,0,0]=3 878 B9R1.22 O=C1NC(=O)[C@@H](N1)CO MCULE-4356522352 [1,0,0,1,0,0|1,0,0]=3 879 B9R1.22 O=C1N[C@@H](C(=O)O1)CCl MCULE-3047027162 [1,0,0,1,0,0|1,0,0]=3 880 B9R1.22 O=C1N[C@H](C(=O)O1)CCl MCULE-4583448386 [1,0,0,1,0,0|1,0,0]=3 881 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [1,0,0,1,0,0|2,0,0]=4 882 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [1,0,0,1,0,0|2,0,0]=4 883 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [1,0,0,1,0,0|2,0,0]=4 884 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [1,0,0,1,0,0|1,0,1]=4 885 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [1,0,0,1,0,0|1,0,1]=4 886 B9R1.35 CC1=NC(CS1)C(=O)O MCULE-2658936955 [1,0,0,1,0,0|0,1,1]=4 887 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [1,0,0,1,0,0|1,0,1]=4 888 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [1,0,0,1,0,0|1,0,1]=4 889 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [1,0,0,1,0,0|1,0,1]=4 890 B9R1.35 CC1NC(CS1)C(=O)O MCULE-3100233154 [1,0,0,1,0,0|0,1,1]=4 891 B9R1.35 CC1N[C@H](CS1)C(=O)O MCULE-6392464999 [1,0,0,1,0,0|0,1,1]=4 892 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [1,0,0,1,0,0|1,0,1]=4 893 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [1,0,0,1,0,0|1,0,1]=4 894 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [1,0,0,1,0,0|1,0,1]=4 895 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [1,0,0,1,0,0|1,0,1]=4 896 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [1,0,0,1,0,0|1,0,1]=4 897 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [1,0,0,1,0,0|1,0,1]=4 898 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [1,0,0,1,0,0|1,0,1]=4 899 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [1,0,0,1,0,0|1,0,1]=4 900 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [1,0,0,1,0,0|1,0,1]=4 901 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [1,0,0,1,0,0|1,0,1]=4 902 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [1,0,0,1,0,0|1,0,1]=4 903 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [1,0,0,1,0,0|1,0,1]=4 904 B9R1.35 NC(=O)C1CCC(=O)N1 MCULE-1717146839 [1,0,0,1,0,0|2,0,0]=4 905 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-5928054942 [1,0,0,1,0,0|2,0,0]=4 906 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-8978218986 [1,0,0,1,0,0|2,0,0]=4 907 B9R1.35 O=C(O)C1CSC(=S)N1 MCULE-1769481962 [1,0,0,1,0,0|0,2,0]=4 908 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-3331947152 [1,0,0,1,0,0|0,2,0]=4 909 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-7575485678 [1,0,0,1,0,0|0,2,0]=4 910 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [1,0,0,1,0,0|2,0,0]=4 911 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [1,0,0,1,0,0|1,0,0]=3 912 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [1,0,0,1,0,0|1,1,0]=4 913 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [1,0,0,1,0,0|2,0,0]=4 914 B9R1.35 O=C1CCC(N1)C(=O)Cl MCULE-7943877958 [1,0,0,1,0,0|2,0,0]=4 915 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [1,0,0,1,0,0|1,0,0]=3 916 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [1,0,0,1,0,0|1,0,0]=3 917 B9R1.35 O=C1CCC(N1)C(=O)[O-] MCULE-1554748470 [1,0,0,1,0,0|1,0,1]=4 918 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [1,0,0,1,0,0|2,0,0]=4 919 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [1,0,0,1,0,0|2,0,0]=4 920 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [1,0,0,1,0,0|2,0,0]=4 921 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [1,0,0,1,0,0|2,0,0]=4 922 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [1,0,0,1,0,0|1,0,0]=3 923 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [1,0,0,1,0,0|1,0,0]=3 924 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [1,0,0,1,0,0|2,0,0]=4 925 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [1,0,0,1,0,0|2,0,0]=4 926 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [1,0,0,1,0,0|2,0,0]=4 927 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [1,0,0,1,0,0|2,0,0]=4 928 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [1,0,0,1,0,0|1,0,0]=3 929 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [1,0,0,1,0,0|1,0,0]=3 930 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [1,0,0,1,0,0|1,0,0]=3 931 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-2892153827 [1,0,0,1,0,0|1,0,1]=4 932 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-8083669516 [1,0,0,1,0,0|1,0,1]=4 933 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [1,0,0,1,0,0|2,0,0]=4 934 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [1,0,0,1,0,0|2,0,0]=4 935 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [1,0,0,1,0,0|2,0,0]=4 936 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [1,0,0,1,0,0|2,0,0]=4 937 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [1,0,0,1,0,0|2,0,0]=4 938 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [1,0,0,1,0,0|2,0,0]=4 939 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [1,0,0,1,0,0|2,0,0]=4 940 B9R1.35 O=C1NC(=CO1)C(=O)O MCULE-2610586771 [1,0,0,1,0,0|0,0,2]=4 941 B9R1.35 O=C1NC(=NO1)C(=O)O MCULE-5897124585 [1,0,0,1,0,0|1,0,1]=4 942 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [1,0,0,1,0,0|0,0,0]=2 943 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [1,0,0,1,0,0|0,1,0]=3 944 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [1,0,0,1,0,0|1,0,0]=3 945 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [1,0,0,1,0,0|2,0,0]=4 946 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [1,0,0,1,0,0|1,0,0]=3 947 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [1,0,0,1,0,0|1,0,0]=3 948 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [1,0,0,1,0,0|1,0,0]=3 949 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [1,0,0,1,0,0|1,0,0]=3 950 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [1,0,0,1,0,0|2,0,0]=4 951 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [1,0,0,1,0,0|2,0,0]=4 952 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [1,0,0,1,0,0|0,0,0]=2 953 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [1,0,0,1,0,0|0,0,0]=2 954 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [1,0,0,1,0,0|0,1,0]=3 955 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [1,0,0,1,0,0|0,1,0]=3 956 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [1,0,0,1,0,0|0,0,0]=2 957 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [1,0,0,1,0,0|0,0,0]=2 958 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [1,0,0,1,0,0|0,1,0]=3 959 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [1,0,0,1,0,0|1,0,0]=3 960 B9R1.41 CC1CCNC1C(=O)O MCULE-3835684911 [1,0,0,1,0,0|1,0,1]=4 961 B9R1.41 CC1CCNC1C(=O)O MCULE-8361777649 [1,0,0,1,0,0|1,0,1]=4 962 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O MCULE-6239309390 [1,0,0,1,0,0|1,0,1]=4 963 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-1608471752 [1,0,0,1,0,0|1,0,1]=4 964 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-2896759092 [1,0,0,1,0,0|1,0,1]=4 965 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-1694933393 [1,0,0,1,0,0|1,0,1]=4 966 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-9088637113 [1,0,0,1,0,0|1,0,1]=4 967 B9R1.41 C[C@H]1CCN[C@H]1C(=O)O MCULE-1449988566 [1,0,0,1,0,0|1,0,1]=4 968 B9R1.41 NC(=O)C1NCCC1O MCULE-1947851170 [1,0,0,1,0,0|1,0,1]=4 969 B9R1.41 NC(=O)C1NCCC1O MCULE-8983481897 [1,0,0,1,0,0|1,0,1]=4 970 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-1119399523 [1,0,0,1,0,0|1,0,1]=4 971 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-4733398267 [1,0,0,1,0,0|1,0,1]=4 972 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8085547151 [1,0,0,1,0,0|1,0,1]=4 973 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8491779714 [1,0,0,1,0,0|1,0,1]=4 974 B9R1.41 NC1CCNC1C(=O)O MCULE-3789976956 [1,0,0,1,0,0|1,0,1]=4 975 B9R1.41 NC1CCNC1C(=O)O MCULE-5356536056 [1,0,0,1,0,0|1,0,1]=4 976 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-1080605796 [1,0,0,1,0,0|1,0,1]=4 977 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5666272526 [1,0,0,1,0,0|1,0,1]=4 978 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5723263979 [1,0,0,1,0,0|1,0,1]=4 979 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-6574312344 [1,0,0,1,0,0|1,0,1]=4 980 B9R1.41 O=C(O)C1CCCC1O MCULE-5519958446 [1,0,0,1,0,0|1,0,1]=4 981 B9R1.41 O=C(O)C1CNCC1O MCULE-4948062518 [1,0,0,1,0,0|2,0,0]=4 982 B9R1.41 O=C(O)C1CNCC1O MCULE-8113161890 [1,0,0,1,0,0|2,0,0]=4 983 B9R1.41 O=C(O)C1NCCC1F MCULE-2108063646 [1,0,0,1,0,0|1,0,1]=4 984 B9R1.41 O=C(O)C1NCCC1F MCULE-6901343291 [1,0,0,1,0,0|1,0,1]=4 985 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [1,0,0,1,0,0|0,0,1]=3 986 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [1,0,0,1,0,0|0,0,1]=3 987 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [1,0,0,1,0,0|0,0,1]=3 988 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-3174474393 [1,0,0,1,0,0|1,0,1]=4 989 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-5151888407 [1,0,0,1,0,0|1,0,1]=4 990 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [1,0,0,1,0,0|0,0,1]=3 991 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [1,0,0,1,0,0|0,0,1]=3 992 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [1,0,0,1,0,0|0,0,1]=3 993 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [1,0,0,1,0,0|0,0,1]=3 994 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [1,0,0,1,0,0|0,0,1]=3 995 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7001095632 [1,0,0,1,0,0|1,0,1]=4 996 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7931619369 [1,0,0,1,0,0|1,0,1]=4 997 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [1,0,0,1,0,0|0,0,1]=3 998 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [1,0,0,1,0,0|0,0,1]=3 999 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [1,0,0,1,0,0|0,0,1]=3 1000 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [1,0,0,1,0,0|0,0,1]=3 1001 B9R1.41 O=C(O)[C@@H]1[NH2+]CC[C@@H]1O MCULE-4350473030 [1,0,0,1,0,0|0,0,2]=4 1002 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O MCULE-7220456005 [1,0,0,1,0,0|1,0,1]=4 1003 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-1175817797 [1,0,0,1,0,0|1,0,1]=4 1004 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-5823079222 [1,0,0,1,0,0|1,0,1]=4 1005 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-6437141041 [1,0,0,1,0,0|1,0,1]=4 1006 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-8496599400 [1,0,0,1,0,0|1,0,1]=4 1007 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [1,0,0,1,0,0|0,0,1]=3 1008 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [1,0,0,1,0,0|0,0,1]=3 1009 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [1,0,0,1,0,0|0,0,1]=3 1010 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F MCULE-8117073613 [1,0,0,1,0,0|1,0,1]=4 1011 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [1,0,0,1,0,0|0,0,1]=3 1012 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [1,0,0,1,0,0|0,0,1]=3 1013 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [1,0,0,1,0,0|0,0,1]=3 1014 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [1,0,0,1,0,0|0,0,1]=3 1015 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [1,0,0,1,0,0|0,0,1]=3 1016 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [1,0,0,1,0,0|0,0,1]=3 1017 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [1,0,0,1,0,0|0,0,1]=3 1018 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [1,0,0,1,0,0|0,0,1]=3 1019 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [1,0,0,1,0,0|0,0,1]=3 1020 B9R1.96 CCN1CCC1C(=O)O MCULE-9616158921 [1,0,0,1,0,0|1,0,1]=4 1021 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-1971461514 [1,0,0,1,0,0|1,0,1]=4 1022 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-4762142431 [1,0,0,1,0,0|1,0,1]=4 1023 B9R1.96 O=NN1CCC1C(=O)O MCULE-4855920103 [1,0,0,1,0,0|2,0,0]=4 1024 B9R1.119 O=C(O)C1(CCC1)CO MCULE-3232370055 [1,0,0,1,0,0|1,0,1]=4 1025 B9R1.119 O=C(O)C1(COC1)CO MCULE-8517233263 [1,0,0,1,0,0|2,0,0]=4 1026 B9R1.2 CCC1COCC(=O)N1 MCULE-1841359305 [1,0,0,1,0,0|1,0,1]=4 1027 B9R1.2 CC[C@@H]1COCC(=O)N1 MCULE-9098123465 [1,0,0,1,0,0|1,0,1]=4 1028 B9R1.2 O=C1CCCC(N1)CO MCULE-6546170250 [1,0,0,1,0,0|1,0,1]=4 1029 B9R1.2 O=C1CCC[C@@H](N1)CO MCULE-6845836782 [1,0,0,1,0,0|1,0,1]=4 1030 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-2745722091 [1,0,0,1,0,0|1,0,1]=4 1031 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-3358051383 [1,0,0,1,0,0|1,0,1]=4 1032 B9R1.2 O=C1CNC[C@H](N1)CO MCULE-7459264375 [1,0,0,1,0,0|1,0,1]=4 1033 B9R1.2 O=C1COCC(N1)CO MCULE-2108098178 [1,0,0,1,0,0|0,0,1]=3 1034 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-1640734818 [1,0,0,1,0,0|0,0,1]=3 1035 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-6633625871 [1,0,0,1,0,0|0,0,1]=3 1036 B9R1.67 CC(=O)OC1CCC1=O MCULE-2752800385 [1,0,0,1,0,0|2,0,0]=4 1037 B9R1.124 O=C1CC(C1)(CO)CO MCULE-4534541678 [1,0,0,1,0,0|1,0,1]=4 1038 B9R1.69 CC1CC(=O)CCC1=O MCULE-2258739718 [1,0,0,1,0,0|2,0,0]=4 1039 B9R1.69 CC1NC(=O)CCC1O MCULE-3879531993 [1,0,0,1,0,0|1,0,1]=4 1040 B9R1.69 CC1NC(=O)CNC1=O MCULE-3674832613 [1,0,0,1,0,0|1,0,0]=3 1041 B9R1.69 CC1NC(=O)CNC1=O MCULE-9058910414 [1,0,0,1,0,0|1,0,0]=3 1042 B9R1.69 CC1OC(=O)COC1=O MCULE-8718960339 [1,0,0,1,0,0|1,0,0]=3 1043 B9R1.69 C[C@@H]1NC(=O)CNC1=O MCULE-2449320004 [1,0,0,1,0,0|1,0,0]=3 1044 B9R1.69 C[C@@H]1NC(=O)CNC1=O MCULE-7629090482 [1,0,0,1,0,0|1,0,0]=3 1045 B9R1.69 C[C@H]1NC(=O)CNC1=O MCULE-5376605309 [1,0,0,1,0,0|1,0,0]=3 1046 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-2919785082 [1,0,0,1,0,0|1,0,1]=4 1047 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-4729598853 [1,0,0,1,0,0|1,0,1]=4 1048 B9R1.152 C=C(C)C1(CC(=O)N1)C MCULE-1394575254 [1,0,0,1,0,0|2,0,0]=4 1049 B9R1.152 C=C1CC(C1)(C)C(=O)O MCULE-7205894158 [1,0,0,1,0,0|2,0,0]=4 1050 B9R1.152 C=C1CC(C1)(O)C(=O)O MCULE-9531189314 [1,0,0,1,0,0|2,0,0]=4 1051 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [1,0,0,1,0,0|1,0,0]=3 1052 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [1,0,0,1,0,0|2,0,0]=4 1053 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [1,0,0,1,0,0|2,0,0]=4 1054 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [1,0,0,1,0,0|2,0,0]=4 1055 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [1,0,0,1,0,0|2,0,0]=4 1056 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [1,0,0,1,0,0|2,0,0]=4 1057 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [1,0,0,1,0,0|2,0,0]=4 1058 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [1,0,0,1,0,0|2,0,0]=4 1059 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [1,0,0,1,0,0|2,0,0]=4 1060 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [1,0,0,1,0,0|2,0,0]=4 1061 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [1,0,0,1,0,0|2,0,0]=4 1062 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [1,0,0,1,0,0|2,0,0]=4 1063 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [1,0,0,1,0,0|2,0,0]=4 1064 B9R1.27 CCC1C(=O)CCC1=O MCULE-9997239659 [0,0,0,1,1,0|2,0,0]=4 1065 B9R1.27 O=C1CCC(=O)N1CO MCULE-2404690751 [0,0,0,1,1,0|2,0,0]=4 1066 B9R1.168 CC(=O)C1(CC1)C(=O)C MCULE-1230306878 [0,0,0,1,1,0|2,0,0]=4 1067 B9R1.168 CC(=O)C1(CC1)C(=O)O MCULE-4529598350 [0,0,0,1,1,0|1,0,0]=3 1068 B9R1.168 NC(=O)C1(CC1)C(=O)O MCULE-5762715877 [0,0,0,1,1,0|2,0,0]=4 1069 B9R1.168 O=C(O)C1(CC1)C(=O)O MCULE-3457962827 [0,0,0,1,1,0|2,0,0]=4 1070 B11R1.157 CC(=O)CC1CCCC(=O)N1 MCULE-4485387072 [0,0,0,1,0,1|2,0,0]=4 1071 B11R1.157 O=C(O)CC1CCCC(=O)C1 MCULE-2070450942 [0,0,0,1,0,1|2,0,0]=4 1072 B11R1.157 O=C(O)CC1CCCC(=O)N1 MCULE-7470301343 [0,0,0,1,0,1|1,0,0]=3 1073 B11R1.645 CC(=O)NC1CC(=O)OC1=O MCULE-4921755901 [0,0,0,1,0,1|0,0,2]=4 1074 B11R1.166 CC1CC(=O)CCC1C(=O)O MCULE-7852085763 [0,0,0,1,0,1|2,0,0]=4 1075 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O MCULE-2460783843 [0,0,0,1,0,1|2,0,0]=4 1076 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O MCULE-7956491903 [0,0,0,1,0,1|2,0,0]=4 1077 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O MCULE-3967440664 [0,0,0,1,0,1|2,0,0]=4 1078 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O MCULE-5142454558 [0,0,0,1,0,1|2,0,0]=4 1079 B11R1.175 CC(=O)N1CCC(C1)C(=O)O MCULE-5992331860 [0,0,0,1,0,1|1,0,0]=3 1080 B11R1.175 O=C(O)C1CSC(N1)C(=O)O MCULE-7618690294 [0,0,0,1,0,1|1,1,0]=4 1081 B11R1.175 O=C(O)[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3826760511 [0,0,0,1,0,1|2,0,0]=4 1082 B11R1.565 O=C1CCCC(CC1)C(=O)O MCULE-9475795957 [0,0,0,1,0,1|2,0,0]=4 1083 B11R1.727 CC1(CNC(CO1)C(=O)O)C MCULE-4256075993 [0,0,0,1,0,1|1,0,1]=4 1084 B11R1.727 CC1(CNC(CO1)C(=O)O)C MCULE-7885479811 [0,0,0,1,0,1|1,0,1]=4 1085 B11R1.727 CC1(CN[C@@H](CO1)C(=O)O)C MCULE-4507731051 [0,0,0,1,0,1|1,0,1]=4 1086 B11R1.727 CC1(CN[C@@H](CO1)C(=O)O)C MCULE-6942026456 [0,0,0,1,0,1|1,0,1]=4 1087 B11R1.727 CC1(CN[C@@H](CO1)C(=O)O)C MCULE-8456032294 [0,0,0,1,0,1|1,0,1]=4 1088 B11R1.727 CC1(CN[C@@H](CO1)C(=O)O)C MCULE-9879183937 [0,0,0,1,0,1|1,0,1]=4 1089 B11R1.727 CC1(CN[C@H](CO1)C(=O)O)C MCULE-1777900508 [0,0,0,1,0,1|1,0,1]=4 1090 B11R1.727 CC1(CN[C@H](CO1)C(=O)O)C MCULE-3103501136 [0,0,0,1,0,1|1,0,1]=4 1091 B11R1.727 CC1(CN[C@H](CO1)C(=O)O)C MCULE-3507812849 [0,0,0,1,0,1|1,0,1]=4 1092 B11R1.727 CC1(CN[C@H](CO1)C(=O)O)C MCULE-7408744740 [0,0,0,1,0,1|1,0,1]=4 1093 B11R1.74 O=C1CC(=O)CC(C1)C(=O)O MCULE-2619134082 [0,1,0,1,0,0|1,0,1]=4 1094 B11R1.74 O=C1CC(NC(=O)N1)C(=O)O MCULE-8091289320 [0,1,0,1,0,0|1,0,1]=4 1095 B11R1.74 O=C1C[C@@H](NC(=O)N1)C(=O)O MCULE-4074220021 [0,1,0,1,0,0|1,0,1]=4 1096 B11R1.74 O=C1C[C@@H](NC(=O)N1)C(=O)O MCULE-7764195040 [0,1,0,1,0,0|1,0,1]=4 1097 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O MCULE-6513392402 [0,1,0,1,0,0|1,0,1]=4 1098 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O MCULE-7404763627 [0,1,0,1,0,0|1,0,1]=4 1099 B11R1.178 CC(=O)N1CCCC1C(=O)N MCULE-3826239589 [0,1,0,1,0,0|2,0,0]=4 1100 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-1813411528 [0,1,0,1,0,0|1,0,0]=3 1101 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-9022800854 [0,1,0,1,0,0|1,0,0]=3 1102 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-1405603447 [0,1,0,1,0,0|1,0,0]=3 1103 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-9216589773 [0,1,0,1,0,0|1,0,0]=3 1104 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N MCULE-2667654412 [0,1,0,1,0,0|2,0,0]=4 1105 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N MCULE-3510789923 [0,1,0,1,0,0|2,0,0]=4 1106 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-1169221802 [0,1,0,1,0,0|1,0,0]=3 1107 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-9915147289 [0,1,0,1,0,0|1,0,0]=3 1108 B11R1.178 CC(=O)N1CCS[C@H]1C(=O)O MCULE-1643107830 [0,1,0,1,0,0|1,0,0]=3 1109 B11R1.178 CC(=O)N1CSCC1C(=O)O MCULE-6153628068 [0,1,0,1,0,0|0,1,0]=3 1110 B11R1.178 CC(=O)N1CSCC1C(=O)O MCULE-9095175540 [0,1,0,1,0,0|0,1,0]=3 1111 B11R1.178 CC(=O)N1CSC[C@@H]1C(=O)O MCULE-5248938328 [0,1,0,1,0,0|0,1,0]=3 1112 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O MCULE-4068934366 [0,1,0,1,0,0|0,1,0]=3 1113 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O MCULE-8624310818 [0,1,0,1,0,0|0,1,0]=3 1114 B11R1.178 NC(=O)N1CCCC1C(=O)O MCULE-2099814008 [0,1,0,1,0,0|2,0,0]=4 1115 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-1581234645 [0,1,0,1,0,0|2,0,0]=4 1116 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-2695707693 [0,1,0,1,0,0|2,0,0]=4 1117 B11R1.178 O=C(O)C1COCC1C(=O)O MCULE-4469020347 [0,1,0,1,0,0|2,0,0]=4 1118 B11R1.178 O=C(O)[C@@H]1CCCN1C(=O)O MCULE-1970767326 [0,1,0,1,0,0|2,0,0]=4 1119 B11R1.178 O=C(O)[C@@H]1COC[C@@H]1C(=O)O MCULE-2959853524 [0,1,0,1,0,0|2,0,0]=4 1120 B11R1.178 O=C(O)[C@@H]1COC[C@H]1C(=O)O MCULE-9190757159 [0,1,0,1,0,0|2,0,0]=4 1121 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-4154653911 [0,1,0,1,0,0|2,0,0]=4 1122 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-5321587208 [0,1,0,1,0,0|2,0,0]=4 1123 B11R1.497 NC(=O)C1CSCCC(=O)N1 MCULE-9167752507 [0,1,0,1,0,0|1,1,0]=4 1124 B11R1.497 O=C1CCCCC(C1)C(=O)O MCULE-7646723801 [0,1,0,1,0,0|2,0,0]=4 1125 B11R1.497 O=C1CCCCC(N1)C(=O)O MCULE-3462654668 [0,1,0,1,0,0|1,0,0]=3 1126 B11R1.497 O=C1CCSCC(N1)C(=O)O MCULE-1237852498 [0,1,0,1,0,0|0,1,0]=3 1127 B11R1.730 CC1(COCC(N1)C(=O)O)C MCULE-9878578908 [0,1,0,1,0,0|1,0,1]=4 1128 B11R1.929 CC(=O)CC1(CCC1)C(=O)O MCULE-7740494752 [0,1,0,1,0,0|2,0,0]=4 1129 B11R1.929 CC(=O)NC1(CCC1)C(=O)O MCULE-6384958791 [0,1,0,1,0,0|1,0,0]=3 1130 B11R1.21 CC1SCC(NC1=O)C(=O)O MCULE-5715274470 [0,1,0,1,0,0|0,1,0]=3 1131 B11R1.21 CN1CCC(CC1=O)C(=O)O MCULE-7427834297 [0,1,0,1,0,0|2,0,0]=4 1132 B11R1.21 CN1CC[C@@H](CC1=O)C(=O)O MCULE-5366315291 [0,1,0,1,0,0|2,0,0]=4 1133 B11R1.21 CN1CC[C@@H](CC1=O)C(=O)O MCULE-9736243500 [0,1,0,1,0,0|2,0,0]=4 1134 B11R1.167 CC(C)C1NC(=O)CNC1=O MCULE-4291970196 [0,1,0,1,0,0|2,0,0]=4 1135 B11R1.167 CC(C)C1NC(=O)CNC1=O MCULE-4390994872 [0,1,0,1,0,0|2,0,0]=4 1136 B11R1.167 CC(C)[C@@H]1NC(=O)CNC1=O MCULE-8179867886 [0,1,0,1,0,0|2,0,0]=4 1137 B11R1.167 CC(C)[C@H]1NC(=O)CNC1=O MCULE-6593694528 [0,1,0,1,0,0|2,0,0]=4 1138 B11R1.167 CC(O)C1NC(=O)CNC1=O MCULE-8265308288 [0,1,0,1,0,0|1,0,0]=3 1139 B11R1.167 CC1=NC(C(CN1)O)C(=O)O MCULE-2175075890 [0,1,0,1,0,0|1,0,1]=4 1140 B11R1.167 CC1=N[C@@H]([C@H](CN1)O)C(=O)O MCULE-6274285156 [0,1,0,1,0,0|1,0,1]=4 1141 B11R1.167 O=C1CCC(=O)[C@H](N1)C(=O)O MCULE-5858965627 [0,1,0,1,0,0|0,0,2]=4 1142 B11R1.167 O=C1CNC(=O)C(N1)C(=O)O MCULE-9729486152 [0,1,0,1,0,0|0,0,2]=4 1143 B11R1.167 [C@@H]1(NC(=O)CNC1=O)C(C)C MCULE-1212098069 [0,1,0,1,0,0|2,0,0]=4 1144 B11R1.167 [C@H]1(NC(=O)CNC1=O)C(C)C MCULE-7643648003 [0,1,0,1,0,0|2,0,0]=4 1145 B11R1.228 O=C(CCl)NC1CCSC1=O MCULE-2016123247 [0,1,0,1,0,0|1,1,0]=4 1146 B11R1.277 C[C@@H]1NC(=O)[C@@H](NC1=O)CO MCULE-6508513051 [0,1,0,1,0,0|1,0,0]=3 1147 B11R1.277 C[C@@H]1NC(=O)[C@@H](NC1=O)CO MCULE-9973164603 [0,1,0,1,0,0|1,0,0]=3 1148 B11R1.277 C[C@H]1NC(=O)[C@@H](NC1=O)CO MCULE-6950665738 [0,1,0,1,0,0|1,0,0]=3 1149 B11R1.672 CC1C(CC(=O)N1C)C(=O)O MCULE-2973465498 [0,1,0,1,0,0|2,0,0]=4 1150 B11R1.870 COC(=O)C1CCC1C(=O)O MCULE-1249439118 [0,1,0,1,0,0|2,0,0]=4 1151 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O MCULE-3410242661 [0,1,0,1,0,0|2,0,0]=4 1152 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O MCULE-6051976113 [0,1,0,1,0,0|2,0,0]=4 1153 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O MCULE-1075146717 [0,1,0,1,0,0|2,0,0]=4 1154 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O MCULE-3918400311 [0,1,0,1,0,0|2,0,0]=4 1155 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O MCULE-1475117037 [0,1,0,1,0,0|2,0,0]=4 1156 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O MCULE-5543248614 [0,1,0,1,0,0|2,0,0]=4 1157 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O MCULE-1277383047 [0,1,0,1,0,0|2,0,0]=4 1158 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O MCULE-1925715721 [0,1,0,1,0,0|2,0,0]=4 1159 B11R1.870 [C@@H]1(CC[C@H]1C(=O)O)C(=O)OC MCULE-6773676736 [0,1,0,1,0,0|2,0,0]=4 1160 B11R1.1493 COC(=O)NC1(CC1)C(=O)O MCULE-2002888871 [0,1,0,1,0,0|1,0,0]=3 1161 B11R1.8 CCC1NC(=O)CN(C1=O)C MCULE-8400693412 [0,1,0,1,0,0|2,0,0]=4 1162 B11R1.8 CN1CC(=O)N[C@H](C1=O)CO MCULE-6511003318 [0,1,0,1,0,0|1,0,0]=3 1163 B11R1.8 O=C1NC(=O)C(=C(N1)CO)O MCULE-8946189974 [0,1,0,1,0,0|1,0,1]=4 1164 B11R1.23 COC(=O)C1CCCC(=O)C1 MCULE-4326233018 [0,1,0,1,0,0|2,0,0]=4 1165 B11R1.23 COC(=O)C1CCCC(=O)N1 MCULE-8690572370 [0,1,0,1,0,0|1,0,0]=3 1166 B11R1.23 COC(=O)C1CNCC(=O)N1 MCULE-4044240233 [0,1,0,1,0,0|1,0,0]=3 1167 B11R1.23 COC(=O)C1COCC(=O)C1 MCULE-9367979634 [0,1,0,1,0,0|1,0,0]=3 1168 B11R1.23 COC(=O)C1COCC(N1)C MCULE-5531646699 [0,1,0,1,0,0|1,0,1]=4 1169 B11R1.23 COC(=O)[C@@H]1CCCC(=O)C1 MCULE-6640888029 [0,1,0,1,0,0|2,0,0]=4 1170 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 MCULE-2739256690 [0,1,0,1,0,0|1,0,0]=3 1171 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 MCULE-5386964384 [0,1,0,1,0,0|1,0,0]=3 1172 B11R1.23 COC(=O)[C@@H]1COCC(=O)C1 MCULE-3601624499 [0,1,0,1,0,0|1,0,0]=3 1173 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 MCULE-1252511775 [0,1,0,1,0,0|2,0,0]=4 1174 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 MCULE-8974857056 [0,1,0,1,0,0|1,0,0]=3 1175 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 MCULE-7434283814 [0,1,0,1,0,0|1,0,0]=3 1176 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 MCULE-9904980974 [0,1,0,1,0,0|1,0,0]=3 1177 B11R1.89 CC(=O)N(C)C1COCC1O MCULE-3154466896 [0,1,0,1,0,0|1,0,1]=4 1178 B11R1.159 CN1C(=O)CCCC1C(=O)O MCULE-2434427513 [0,1,0,1,0,0|1,0,0]=3 1179 B11R1.159 CN1C(=O)NCCC1C(=O)O MCULE-7085809876 [0,1,0,1,0,0|2,0,0]=4 1180 B11R1.584 CC(=O)NC1C(=O)SC1(C)C MCULE-1070565401 [0,1,0,1,0,0|1,1,0]=4 1181 B11R1.489 CC1(CC(=O)NC1C(=O)O)C MCULE-5250835582 [0,1,0,1,0,0|1,0,0]=3 1182 B11R1.581 O=C1CC(C1)(C(=O)O)C(=O)O MCULE-6272718490 [0,1,0,1,0,0|1,0,1]=4 1183 B11R2.47 O=C1NC2CCC1NC2=O MCULE-2265765938 [0,0,0,2,0,0|2,0,0]=4 1184 B11R2.208 O=C1CNC(=O)C2(N1)CC2 MCULE-8085746439 [0,0,0,2,0,0|2,0,0]=4 1185 B11R2.530 O=C(O)C1C2C1C(=O)CC2 MCULE-6727222040 [0,0,0,2,0,0|2,0,0]=4 1186 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [1,0,0,0,1,0|2,0,0]=4 1187 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [1,0,0,0,1,0|2,0,0]=4 1188 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [1,0,0,0,1,0|2,0,0]=4 1189 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [1,0,0,0,1,0|2,0,0]=4 1190 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [1,0,0,0,1,0|2,0,0]=4 1191 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [1,0,0,0,1,0|2,0,0]=4 1192 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [1,0,0,0,1,0|2,0,0]=4 1193 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [1,0,0,0,1,0|2,0,0]=4 1194 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [1,0,0,0,1,0|2,0,0]=4 1195 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [1,0,0,0,1,0|1,0,1]=4 1196 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [1,0,0,0,1,0|1,0,1]=4 1197 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [1,0,0,0,1,0|2,0,0]=4 1198 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [1,0,0,0,1,0|1,0,0]=3 1199 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [1,0,0,0,1,0|2,0,0]=4 1200 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [1,0,0,0,1,0|2,0,0]=4 1201 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [1,0,0,0,1,0|2,0,0]=4 1202 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [1,0,0,0,1,0|2,0,0]=4 1203 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [1,0,0,0,1,0|2,0,0]=4 1204 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [1,0,0,0,1,0|1,0,1]=4 1205 B7R0.16 CC(C(=O)Cl)C(=O)Cl MCULE-5269923120 [1,0,0,0,1,0|2,0,0]=4 1206 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [1,0,0,0,1,0|2,0,0]=4 1207 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [1,0,0,0,1,0|1,0,0]=3 1208 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [1,0,0,0,1,0|2,0,0]=4 1209 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [1,0,0,0,1,0|2,0,0]=4 1210 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [1,0,0,0,1,0|2,0,0]=4 1211 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-4632089491 [1,0,0,0,1,0|1,0,1]=4 1212 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-8764180648 [1,0,0,0,1,0|1,0,1]=4 1213 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [1,0,0,0,1,0|1,0,1]=4 1214 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [1,0,0,0,1,0|1,0,1]=4 1215 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [1,0,0,0,1,0|1,0,1]=4 1216 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [1,0,0,0,1,0|1,0,1]=4 1217 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [1,0,0,0,1,0|1,0,1]=4 1218 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [1,0,0,0,1,0|1,0,1]=4 1219 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [1,0,0,0,1,0|1,0,1]=4 1220 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [1,0,0,0,1,0|1,0,1]=4 1221 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [1,0,0,0,1,0|1,0,1]=4 1222 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [1,0,0,0,1,0|1,0,1]=4 1223 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [1,0,0,0,1,0|1,0,1]=4 1224 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [1,0,0,0,1,0|1,0,1]=4 1225 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [1,0,0,0,1,0|1,0,1]=4 1226 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [1,0,0,0,1,0|0,0,2]=4 1227 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [1,0,0,0,1,0|2,0,0]=4 1228 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [1,0,0,0,1,0|2,0,0]=4 1229 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [1,0,0,0,1,0|2,0,0]=4 1230 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [1,0,0,0,1,0|0,0,2]=4 1231 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [1,0,0,0,1,0|2,0,0]=4 1232 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [1,0,0,0,1,0|2,0,0]=4 1233 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [1,0,0,0,1,0|1,0,1]=4 1234 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [1,0,0,0,1,0|1,0,1]=4 1235 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [1,0,0,0,1,0|0,0,2]=4 1236 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [1,0,0,0,1,0|1,0,1]=4 1237 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [1,0,0,0,1,0|1,0,1]=4 1238 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [1,0,0,0,1,0|2,0,0]=4 1239 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [1,0,0,0,1,0|2,0,0]=4 1240 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [1,0,0,0,1,0|2,0,0]=4 1241 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [1,0,0,0,1,0|1,0,0]=3 1242 B9R0.7 C/C(=N/NC(=O)N)/C(=O)O MCULE-9321060192 [1,0,0,0,0,1|1,0,1]=4 1243 B9R0.7 C/C(=N\NC(=O)N)/C(=O)O MCULE-7459723879 [1,0,0,0,0,1|1,0,1]=4 1244 B9R0.7 CC(=NNC(=O)N)C(=O)O MCULE-9419629764 [1,0,0,0,0,1|1,0,1]=4 1245 B9R0.7 CC(=NOC(C)C(=O)O)C MCULE-2667021953 [1,0,0,0,0,1|1,0,1]=4 1246 B9R0.7 CC(=O)NN=C(C)C(=O)O MCULE-4949211950 [1,0,0,0,0,1|0,0,1]=3 1247 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [1,0,0,0,0,1|2,0,0]=4 1248 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [1,0,0,0,0,1|2,0,0]=4 1249 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [1,0,0,0,0,1|2,0,0]=4 1250 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [1,0,0,0,0,1|2,0,0]=4 1251 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [1,0,0,0,0,1|2,0,0]=4 1252 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [1,0,0,0,0,1|2,0,0]=4 1253 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [1,0,0,0,0,1|2,0,0]=4 1254 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [1,0,0,0,0,1|2,0,0]=4 1255 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [1,0,0,0,0,1|2,0,0]=4 1256 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [1,0,0,0,0,1|2,0,0]=4 1257 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [1,0,0,0,0,1|2,0,0]=4 1258 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [1,0,0,0,0,1|2,0,0]=4 1259 B9R0.7 CC(=O)SCC(C)C(=O)N MCULE-5520753765 [1,0,0,0,0,1|2,0,0]=4 1260 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [1,0,0,0,0,1|1,0,0]=3 1261 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [1,0,0,0,0,1|2,0,0]=4 1262 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [1,0,0,0,0,1|2,0,0]=4 1263 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [1,0,0,0,0,1|1,0,0]=3 1264 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [1,0,0,0,0,1|1,0,0]=3 1265 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [1,0,0,0,0,1|2,0,0]=4 1266 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [1,0,0,0,0,1|2,0,0]=4 1267 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [1,0,0,0,0,1|2,0,0]=4 1268 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [1,0,0,0,0,1|2,0,0]=4 1269 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [1,0,0,0,0,1|1,0,0]=3 1270 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [1,0,0,0,0,1|1,0,0]=3 1271 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [1,0,0,0,0,1|1,0,0]=3 1272 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [1,0,0,0,0,1|2,0,0]=4 1273 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [1,0,0,0,0,1|2,0,0]=4 1274 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [1,0,0,0,0,1|2,0,0]=4 1275 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [1,0,0,0,0,1|2,0,0]=4 1276 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [1,0,0,0,0,1|1,0,0]=3 1277 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [1,0,0,0,0,1|1,0,0]=3 1278 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [1,0,0,0,0,1|2,0,0]=4 1279 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [1,0,0,0,0,1|2,0,0]=4 1280 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [1,0,0,0,0,1|2,0,0]=4 1281 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [1,0,0,0,0,1|2,0,0]=4 1282 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [1,0,0,0,0,1|2,0,0]=4 1283 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [1,0,0,0,0,1|2,0,0]=4 1284 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [1,0,0,0,0,1|2,0,0]=4 1285 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [1,0,0,0,0,1|2,0,0]=4 1286 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [1,0,0,0,0,1|0,0,0]=2 1287 B9R0.53 CC(=O)OC(C)OC(=O)C MCULE-7151313728 [1,0,0,0,0,1|2,0,0]=4 1288 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [1,0,0,0,0,1|2,0,0]=4 1289 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [1,0,0,0,0,1|1,0,0]=3 1290 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [1,0,0,0,0,1|2,0,0]=4 1291 B11R0.143 CC(=O)NCC(CCl)OC(=O)C MCULE-8683160467 [0,0,0,0,0,2|2,0,0]=4 1292 B11R0.143 CC(=O)NC[C@@H](CCl)OC(=O)C MCULE-3112255414 [0,0,0,0,0,2|2,0,0]=4 1293 B11R0.143 CC(=O)NC[C@@H](CCl)OC(=O)C MCULE-4692525356 [0,0,0,0,0,2|2,0,0]=4 1294 B11R0.143 CC(=O)OCC(CO)OC(=O)C MCULE-7913210656 [0,0,0,0,0,2|2,0,0]=4