0 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.23 C/C(=C\C(C)C)/C(=O)O MCULE-7989780609 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl MCULE-5964382878 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,0,0,0,0,0|0,0,2]=2 8 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,0,0,0,0,0|0,0,0]=0 10 B8R0.23 CC(=CC(=O)O)C(C)C MCULE-3448393194 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.23 CC(=NC(=O)N)C(=O)O MCULE-5921330982 [0,0,0,0,0,0|2,0,0]=2 12 B8R0.23 CC(=O)/C=C(\C)/N(C)C MCULE-5858591753 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.23 CC(=O)C(=CN(C)C)C MCULE-4886707148 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,0,0,0,0,0|1,0,2]=3 15 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.23 CC(=O)C=C(C)N(C)C MCULE-6217682800 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,0,0,0,0,0|1,0,2]=3 18 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,0,0,0,0,0|2,0,1]=3 22 B8R0.23 CC(=O)NC(=O)C(=O)N MCULE-2486343722 [0,0,0,0,0,0|4,0,0]=4 23 B8R0.23 CC(=O)NC(C)C(=O)C MCULE-4672583112 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,0,0,0,0,0|2,0,1]=3 25 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,0,0,0,0,0|2,0,1]=3 26 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-1899336261 [0,0,0,0,0,0|3,0,1]=4 27 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-2242849037 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9322824133 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9348799148 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,0,0,0,0,0|2,0,1]=3 31 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,0,0,0,0,0|2,0,1]=3 32 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,0,0,0,0,0|2,0,1]=3 33 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,0,0,0,0,0|2,0,1]=3 34 B8R0.23 CC(=O)OC(C)C(=O)C MCULE-7403314261 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.23 CC(=O)OC(C)C(=O)Cl MCULE-9987734584 [0,0,0,0,0,0|3,0,1]=4 36 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,0,0,0,0,0|2,0,1]=3 37 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,0,0,0,0,0|2,0,1]=3 38 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-6842776649 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-9564324053 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,0,0,0,0,0|2,0,1]=3 41 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,0,0,0,0,0|2,0,1]=3 42 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-4690787544 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-6415823129 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,0,0,0,0,0|2,0,1]=3 45 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,0,0,0,0,0|2,0,1]=3 46 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [0,0,0,0,0,0|2,0,2]=4 47 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,0,0,0,0,0|1,0,2]=3 48 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,0,0,0,0,0|0,0,2]=2 49 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,0,0,0,0,0|0,0,2]=2 50 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,0,0,0,0,0|2,0,2]=4 51 B8R0.23 CC(NC(=N)N)C(=O)O MCULE-1509115617 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,0,0,0,0,0|2,0,1]=3 53 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-3625061513 [0,0,0,0,0,0|3,0,1]=4 54 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-4950835709 [0,0,0,0,0,0|3,0,1]=4 55 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-5131797215 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,0,0,0,0,0|2,0,1]=3 57 B8R0.23 CN(CC(=O)O)C(=S)S MCULE-1910105668 [0,0,0,0,0,0|1,2,1]=4 58 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,0,0,0,0,0|0,0,2]=2 59 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,0,0,0,0,0|0,0,2]=2 60 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,0,0,0,0,0|0,0,2]=2 61 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,0,0,0,0,0|0,0,2]=2 62 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,0,0,0,0,0|2,0,1]=3 63 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,0,0,0,0,0|2,0,2]=4 64 B8R0.23 NC(=O)C=C(N)C(=O)N MCULE-1435081726 [0,0,0,0,0,0|3,0,0]=3 65 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,0,0,0,0,0|2,0,2]=4 66 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,0,0,0,0,0|2,0,2]=4 67 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,0,0,0,0,0|2,0,2]=4 68 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,0,0,0,0,0|2,0,2]=4 69 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,0,0,0,0,0|2,0,2]=4 70 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,0,0,0,0,0|2,0,2]=4 71 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,0,0,0,0,0|3,0,1]=4 72 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,0,0,0,0,0|2,0,2]=4 73 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,0,0,0,0,0|2,0,2]=4 74 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,0,0,0,0,0|2,0,2]=4 75 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,0,0,0,0,0|2,0,2]=4 76 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,0,0,0,0,0|2,0,2]=4 77 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,0,0,0,0,0|2,0,2]=4 78 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,0,0,0,0,0|1,0,2]=3 79 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,0,0,0,0,0|1,0,2]=3 80 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,0,0,0,0,0|1,0,3]=4 81 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,0,0,0,0,0|1,0,3]=4 82 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,0,0,0,0,0|1,0,3]=4 83 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,0,0,0,0,0|1,0,2]=3 84 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,0,0,0,0,0|1,0,2]=3 85 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,0,0,0,0,0|1,0,3]=4 86 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,0,0,0,0,0|1,0,3]=4 87 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,0,0,0,0,0|2,0,2]=4 88 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,0,0,0,0,0|2,0,2]=4 89 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,0,0,0,0,0|1,0,2]=3 90 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [0,0,0,0,0,0|1,0,0]=1 91 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [0,0,0,0,0,0|1,0,0]=1 92 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [0,0,0,0,0,0|1,0,0]=1 93 B8R0.23 O=C(O)CC(=C(Cl)Cl)Cl MCULE-1048319494 [0,0,0,0,0,0|3,0,1]=4 94 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,0,0,0,0,0|1,0,1]=2 95 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,0,0,0,0,0|1,0,2]=3 96 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,0,0,0,0,0|1,0,2]=3 97 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,0,0,0,0,0|1,0,2]=3 98 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,0,0,0,0,0|1,0,2]=3 99 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,0,0,0,0,0|1,0,2]=3 100 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,0,0,0,0,0|1,0,2]=3 101 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,0,0,0,0,0|1,0,2]=3 102 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,0,0,0,0,0|1,0,2]=3 103 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,0,0,0,0,0|1,0,2]=3 104 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,0,0,0,0,0|1,0,2]=3 105 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,0,0,0,0,0|1,0,2]=3 106 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,0,0,0,0,0|1,0,2]=3 107 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,0,0,0,0,0|1,0,2]=3 108 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,0,0,0,0,0|1,0,2]=3 109 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,0,0,0,0,0|1,0,2]=3 110 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,0,0,0,0,0|1,0,2]=3 111 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,0,0,0,0,0|1,0,3]=4 112 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,0,0,0,0,0|1,0,2]=3 113 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,0,0,0,0,0|3,0,1]=4 114 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,0,0,0,0,0|1,0,2]=3 115 B7R0.2 C/C(=C/N(C)C)/C=O MCULE-5191348171 [1,0,0,0,0,0|3,0,0]=4 116 B7R0.2 C/C(=C\N(C)C)/C=O MCULE-4104391160 [1,0,0,0,0,0|3,0,0]=4 117 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [1,0,0,0,0,0|1,0,2]=4 118 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [1,0,0,0,0,0|0,0,0]=1 119 B7R0.2 CC(=CN(C)C)C=O MCULE-6590049848 [1,0,0,0,0,0|3,0,0]=4 120 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [1,0,0,0,0,0|1,0,1]=3 121 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [1,0,0,0,0,0|1,0,1]=3 122 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [1,0,0,0,0,0|2,0,1]=4 123 B7R0.2 CNC(=CC(=O)C)C MCULE-1943688292 [1,0,0,0,0,0|3,0,0]=4 124 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [1,0,0,0,0,0|2,0,0]=3 125 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [1,0,0,0,0,0|3,0,0]=4 126 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [1,0,0,0,0,0|2,0,0]=3 127 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [1,0,0,0,0,0|2,0,1]=4 128 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [1,0,0,0,0,0|1,0,2]=4 129 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [1,0,0,0,0,0|2,0,1]=4 130 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [1,0,0,0,0,0|0,0,3]=4 131 B7R0.5 C=C=CC(C)C(=O)O MCULE-3438905862 [1,0,0,0,0,0|1,0,2]=4 132 B7R0.5 C=CC=C(C)C(=O)O MCULE-9568360048 [1,0,0,0,0,0|1,0,0]=2 133 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [1,0,0,0,0,0|1,0,2]=4 134 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,0,0,0,0,0|0,0,3]=4 135 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [1,0,0,0,0,0|1,0,1]=3 136 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [1,0,0,0,0,0|1,0,1]=3 137 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [1,0,0,0,0,0|1,0,1]=3 138 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [1,0,0,0,0,0|2,0,1]=4 139 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [1,0,0,0,0,0|1,0,1]=3 140 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [1,0,0,0,0,0|2,0,1]=4 141 B7R0.5 CON=C(C)C(=O)O MCULE-8599774085 [1,0,0,0,0,0|3,0,0]=4 142 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [1,0,0,0,0,0|1,0,1]=3 143 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [1,0,0,0,0,0|1,0,1]=3 144 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [1,0,0,0,0,0|2,0,1]=4 145 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [1,0,0,0,0,0|1,0,0]=2 146 B7R0.6 CC(=O)C=CC(=O)C MCULE-9472466140 [1,0,0,0,0,0|2,0,0]=3 147 B7R0.6 CC(=O)C=CC(=O)Cl MCULE-8865772819 [1,0,0,0,0,0|2,0,0]=3 148 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [1,0,0,0,0,0|1,0,0]=2 149 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,0,0,0,0,0|1,0,2]=4 150 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [1,0,0,0,0,0|2,0,1]=4 151 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [1,0,0,0,0,0|2,0,1]=4 152 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [1,0,0,0,0,0|2,0,1]=4 153 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [1,0,0,0,0,0|2,0,0]=3 156 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [1,0,0,0,0,0|1,0,0]=2 157 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [1,0,0,0,0,0|1,0,0]=2 158 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [1,0,0,0,0,0|2,0,0]=3 159 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [1,0,0,0,0,0|1,0,0]=2 160 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [1,0,0,0,0,0|1,0,2]=4 161 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [1,0,0,0,0,0|2,0,1]=4 162 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [1,0,0,0,0,0|2,0,1]=4 163 B7R0.6 O=C(Cl)/C=C/C(=O)Cl MCULE-6214609191 [1,0,0,0,0,0|2,0,0]=3 164 B7R0.6 O=C(Cl)C=CC(=O)Cl MCULE-7022763562 [1,0,0,0,0,0|2,0,0]=3 165 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [1,0,0,0,0,0|0,0,0]=1 166 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [1,0,0,0,0,0|0,0,0]=1 167 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [1,0,0,0,0,0|0,0,0]=1 168 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [1,0,0,0,0,0|0,0,2]=3 169 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [1,0,0,0,0,0|0,0,0]=1 170 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [1,0,0,0,0,0|0,0,0]=1 171 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [1,0,0,0,0,0|0,0,0]=1 172 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [1,0,0,0,0,0|0,0,0]=1 173 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [1,0,0,0,0,0|0,0,0]=1 174 B7R0.6 O=C(O)C=CC(F)F MCULE-5853046592 [1,0,0,0,0,0|2,0,1]=4 175 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [1,0,0,0,0,0|0,0,2]=3 176 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [1,0,0,0,0,0|0,0,2]=3 177 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [1,0,0,0,0,0|2,0,0]=3 178 B7R0.6 O=C([O-])/C=C/C(=O)[O-] MCULE-2177227992 [1,0,0,0,0,0|0,0,2]=3 179 B7R0.6 O=C([O-])C#CC(=O)O MCULE-8275918466 [1,0,0,0,0,0|0,0,3]=4 180 B7R0.6 O=C([O-])C=CC(=O)[O-] MCULE-1618249570 [1,0,0,0,0,0|0,0,2]=3 181 B7R0.6 O=C([O-])C=CC([O-])O MCULE-6492820393 [1,0,0,0,0,0|0,0,3]=4 182 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [1,0,0,0,0,0|0,0,3]=4 183 B9R0.10 C/C(=C/C(=O)O)/C(F)(F)F MCULE-7456349159 [0,1,0,0,0,0|2,0,1]=4 184 B9R0.10 C/C(=C\C(=O)O)/C(C)(C)C MCULE-2172546258 [0,1,0,0,0,0|2,0,1]=4 185 B9R0.10 C/C(=C\C(=O)O)/C(F)(F)F MCULE-2469520361 [0,1,0,0,0,0|2,0,1]=4 186 B9R0.10 CC(=CC(=O)O)C(C)(C)C MCULE-6247723647 [0,1,0,0,0,0|2,0,1]=4 187 B9R0.10 CC(=CC(=O)O)C(F)(F)F MCULE-8468941122 [0,1,0,0,0,0|2,0,1]=4 188 B9R0.11 CC(=O)C(C)(C)CC(=O)O MCULE-3797968347 [0,1,0,0,0,0|1,0,2]=4 189 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [0,1,0,0,0,0|1,0,2]=4 190 B9R0.11 CC(=O)NC(C)(C)C(=O)O MCULE-7910205661 [0,1,0,0,0,0|2,0,1]=4 191 B9R0.11 CC(=O)OC(C)(C)C(=O)O MCULE-7786541244 [0,1,0,0,0,0|2,0,1]=4 192 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [0,1,0,0,0,0|0,0,2]=3 193 B9R0.11 CC(C)(NC(=O)N)C(=O)O MCULE-3780805662 [0,1,0,0,0,0|2,0,1]=4 194 B9R0.11 CC(F)(NC(=O)N)C(=O)O MCULE-5893224532 [0,1,0,0,0,0|2,0,1]=4 195 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [0,1,0,0,0,0|0,0,2]=3 196 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [0,1,0,0,0,0|0,0,2]=3 197 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [0,1,0,0,0,0|0,0,2]=3 198 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [0,1,0,0,0,0|0,0,2]=3 199 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [0,1,0,0,0,0|0,0,2]=3 200 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [0,1,0,0,0,0|1,0,2]=4 201 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [0,1,0,0,0,0|1,0,2]=4 202 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [0,1,0,0,0,0|0,0,2]=3 203 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [0,1,0,0,0,0|0,0,2]=3 204 B9R0.11 O=C(O)CC(F)(F)C(=O)O MCULE-7706048377 [0,1,0,0,0,0|1,0,2]=4 205 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [0,1,0,0,0,0|1,0,2]=4 206 B9R0.23 C(N)(CC(=O)O)C(=O)OC MCULE-3786901582 [0,1,0,0,0,0|1,0,2]=4 207 B9R0.23 C=C(CC(=O)O)C(=O)OC MCULE-6964816559 [0,1,0,0,0,0|0,0,2]=3 208 B9R0.23 C=C(NC(=O)C)C(=O)OC MCULE-8995388871 [0,1,0,0,0,0|2,0,1]=4 209 B9R0.23 C=CC(=O)N(C)CC(=O)O MCULE-9771391783 [0,1,0,0,0,0|2,0,1]=4 210 B9R0.23 CCC(=O)N(C)CC(=O)O MCULE-1259899510 [0,1,0,0,0,0|2,0,1]=4 211 B9R0.23 CN(CC(=O)O)C(=O)CCl MCULE-5510442150 [0,1,0,0,0,0|2,0,1]=4 212 B9R0.23 CN(CC(=O)O)C(=O)CN MCULE-9356220331 [0,1,0,0,0,0|2,0,1]=4 213 B9R0.23 COC(=O)/C(=C/C(=O)O)/Br MCULE-9236300450 [0,1,0,0,0,0|1,0,0]=2 214 B9R0.23 COC(=O)C(=CC(=O)C)O MCULE-4086335030 [0,1,0,0,0,0|2,0,0]=3 215 B9R0.23 COC(=O)C(=CC(=O)C)[O-] MCULE-6893575885 [0,1,0,0,0,0|2,0,0]=3 216 B9R0.23 COC(=O)C(=CC(=O)O)Br MCULE-7067392588 [0,1,0,0,0,0|1,0,0]=2 217 B9R0.23 COC(=O)C(=O)CC(=O)C MCULE-8074026108 [0,1,0,0,0,0|2,0,1]=4 218 B9R0.23 COC(=O)C(C)CC(=O)C MCULE-2131243248 [0,1,0,0,0,0|1,0,2]=4 219 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [0,1,0,0,0,0|0,0,2]=3 220 B9R0.23 COC(=O)C(C)NC(=O)C MCULE-7499205437 [0,1,0,0,0,0|2,0,1]=4 221 B9R0.23 COC(=O)C(C)NC(=O)C MCULE-9931125485 [0,1,0,0,0,0|2,0,1]=4 222 B9R0.23 COC(=O)C(C)OC(=O)C MCULE-7908136641 [0,1,0,0,0,0|2,0,1]=4 223 B9R0.23 COC(=O)C(N)CC(=O)O MCULE-7519781259 [0,1,0,0,0,0|1,0,2]=4 224 B9R0.23 COC(=O)N(C)CC(=O)O MCULE-6066208018 [0,1,0,0,0,0|1,0,1]=3 225 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [0,1,0,0,0,0|0,0,2]=3 226 B9R0.23 COC(=O)[C@@H](C)NC(=O)C MCULE-3683972950 [0,1,0,0,0,0|2,0,1]=4 227 B9R0.23 COC(=O)[C@@H](C)NC(=O)C MCULE-9078107491 [0,1,0,0,0,0|2,0,1]=4 228 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-2094999701 [0,1,0,0,0,0|1,0,2]=4 229 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-9407721038 [0,1,0,0,0,0|1,0,2]=4 230 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4149383309 [0,1,0,0,0,0|1,0,2]=4 231 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4834047702 [0,1,0,0,0,0|1,0,2]=4 232 B9R0.23 COC(=O)[C@H](C)NC(=O)C MCULE-9272877417 [0,1,0,0,0,0|2,0,1]=4 233 B9R0.23 COC(=O)[C@H](C)NC(=O)C MCULE-9675191541 [0,1,0,0,0,0|2,0,1]=4 234 B9R0.23 COC(=O)[C@H](C)OC(=O)C MCULE-7231856462 [0,1,0,0,0,0|2,0,1]=4 235 B9R0.23 COC(=O)[C@H](C)OC(=O)C MCULE-9967813219 [0,1,0,0,0,0|2,0,1]=4 236 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-1453787543 [0,1,0,0,0,0|1,0,2]=4 237 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8348108837 [0,1,0,0,0,0|1,0,2]=4 238 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8725707708 [0,1,0,0,0,0|1,0,2]=4 239 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-2124989741 [0,1,0,0,0,0|1,0,2]=4 240 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-9803650256 [0,1,0,0,0,0|1,0,2]=4 241 B9R0.23 [C@H](N)(CC(=O)O)C(=O)OC MCULE-3013306674 [0,1,0,0,0,0|1,0,2]=4 242 B9R0.39 CC(=O)NC(CO)C(=O)O MCULE-1309560741 [0,1,0,0,0,0|2,0,1]=4 243 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-6378320219 [0,1,0,0,0,0|2,0,1]=4 244 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-8740981134 [0,1,0,0,0,0|2,0,1]=4 245 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-1874809708 [0,1,0,0,0,0|2,0,1]=4 246 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-6388016375 [0,1,0,0,0,0|2,0,1]=4 247 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-3293270590 [0,1,0,0,0,0|2,0,1]=4 248 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-8632971295 [0,1,0,0,0,0|2,0,1]=4 249 B9R0.39 CC(=O)N[C@H](CO)C(=O)O MCULE-3723348697 [0,1,0,0,0,0|2,0,1]=4 250 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-2338539483 [0,1,0,0,0,0|2,0,1]=4 251 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-7287452762 [0,1,0,0,0,0|2,0,1]=4 252 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [0,1,0,0,0,0|0,0,1]=2 253 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,1,0,0,0,0|0,0,2]=3 254 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-1309294109 [0,1,0,0,0,0|2,0,1]=4 255 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-9698129539 [0,1,0,0,0,0|2,0,1]=4 256 B9R0.39 CCC(NC(=O)N)C(=O)O MCULE-1973871135 [0,1,0,0,0,0|2,0,1]=4 257 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-4606830483 [0,1,0,0,0,0|2,0,1]=4 258 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-7396715663 [0,1,0,0,0,0|2,0,1]=4 259 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,1,0,0,0,0|0,0,2]=3 260 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [0,1,0,0,0,0|1,0,2]=4 261 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,1,0,0,0,0|0,0,2]=3 262 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,1,0,0,0,0|0,0,2]=3 263 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,1,0,0,0,0|0,0,2]=3 264 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [0,1,0,0,0,0|1,0,2]=4 265 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,1,0,0,0,0|0,0,2]=3 266 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,1,0,0,0,0|0,0,2]=3 267 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,1,0,0,0,0|0,0,2]=3 268 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [0,1,0,0,0,0|0,0,2]=3 269 B9R0.39 NC(=O)NC(CO)C(=O)O MCULE-8322024012 [0,1,0,0,0,0|2,0,1]=4 270 B9R0.39 NC(=O)NC(CS)C(=O)O MCULE-3558033323 [0,1,0,0,0,0|2,0,1]=4 271 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O MCULE-9735857877 [0,1,0,0,0,0|2,0,1]=4 272 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,1,0,0,0,0|0,0,2]=3 273 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,1,0,0,0,0|0,0,2]=3 274 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [0,1,0,0,0,0|1,0,1]=3 275 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [0,1,0,0,0,0|0,0,2]=3 276 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [0,1,0,0,0,0|1,0,2]=4 277 B9R0.42 C=C(CC(=O)NC)C(=O)O MCULE-5432016245 [0,1,0,0,0,0|1,0,2]=4 278 B9R0.42 C=C(CC(=O)OC)C(=O)O MCULE-1728748664 [0,1,0,0,0,0|0,0,2]=3 279 B9R0.42 C=C(NC(=O)CCl)C(=O)O MCULE-5735536490 [0,1,0,0,0,0|2,0,1]=4 280 B9R0.42 C=C(NC(=O)CN)C(=O)O MCULE-8924892837 [0,1,0,0,0,0|2,0,1]=4 281 B9R0.42 CC(NC(=O)CCl)C(=O)O MCULE-6899086052 [0,1,0,0,0,0|2,0,1]=4 282 B9R0.42 CC(NC(=O)CN)C(=O)O MCULE-2027405418 [0,1,0,0,0,0|2,0,1]=4 283 B9R0.42 CCC(=O)NC(C)C(=O)O MCULE-5488194337 [0,1,0,0,0,0|2,0,1]=4 284 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O MCULE-5552061501 [0,1,0,0,0,0|2,0,1]=4 285 B9R0.42 COC(=O)C=C(N)C(=O)N MCULE-5883616486 [0,1,0,0,0,0|2,0,0]=3 286 B9R0.42 COC(=O)CC(=O)C(=O)O MCULE-5008305161 [0,1,0,0,0,0|1,0,1]=3 287 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [0,1,0,0,0,0|0,0,2]=3 288 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [0,1,0,0,0,0|0,0,2]=3 289 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [0,1,0,0,0,0|1,0,2]=4 290 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [0,1,0,0,0,0|1,0,2]=4 291 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [0,1,0,0,0,0|1,0,2]=4 292 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [0,1,0,0,0,0|1,0,2]=4 293 B9R0.42 COC(=O)CN(C)C(=O)Cl MCULE-2845541726 [0,1,0,0,0,0|2,0,1]=4 294 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl MCULE-7326666072 [0,1,0,0,0,0|1,0,2]=4 295 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [0,1,0,0,0,0|0,0,2]=3 296 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [0,1,0,0,0,0|0,0,2]=3 297 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [0,1,0,0,0,0|1,0,2]=4 298 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [0,1,0,0,0,0|1,0,2]=4 299 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [0,1,0,0,0,0|1,0,2]=4 300 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [0,1,0,0,0,0|1,0,2]=4 301 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [0,1,0,0,0,0|1,0,2]=4 302 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [0,1,0,0,0,0|0,0,2]=3 303 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [0,1,0,0,0,0|0,0,2]=3 304 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [0,1,0,0,0,0|1,0,2]=4 305 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [0,1,0,0,0,0|1,0,2]=4 306 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [0,1,0,0,0,0|1,0,2]=4 307 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [0,1,0,0,0,0|1,0,2]=4 308 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [0,1,0,0,0,0|1,0,2]=4 309 B9R0.42 COC(=O)NC(C)C(=O)O MCULE-9255316794 [0,1,0,0,0,0|1,0,1]=3 310 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-3970003504 [0,1,0,0,0,0|1,0,1]=3 311 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-7941497211 [0,1,0,0,0,0|1,0,1]=3 312 B9R0.42 C[C@H](NC(=O)CBr)C(=O)O MCULE-2038149065 [0,1,0,0,0,0|2,0,1]=4 313 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O MCULE-3478867157 [0,1,0,0,0,0|2,0,1]=4 314 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O MCULE-8272505742 [0,1,0,0,0,0|2,0,1]=4 315 B9R0.42 C[C@H](NC(=O)CN)C(=O)O MCULE-2496637228 [0,1,0,0,0,0|2,0,1]=4 316 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [0,1,0,0,0,0|1,0,2]=4 317 B9R0.42 [C@@H](C)(NC(=O)CN)C(=O)O MCULE-7578084271 [0,1,0,0,0,0|2,0,1]=4 318 B9R0.57 C=C(OP(=O)(O)O)C(=O)O MCULE-3602390360 [0,1,0,0,0,0|2,0,1]=4 319 B9R0.57 C=C(OP(=O)(O)O)C(=O)O MCULE-8044116150 [0,1,0,0,0,0|2,0,1]=4 320 B9R0.79 CC(=C(C)C(=O)O)C(=O)O MCULE-7892331868 [0,1,0,0,0,0|0,0,0]=1 321 B9R0.79 CC(=O)N(C)C(C)C(=O)O MCULE-8770175961 [0,1,0,0,0,0|2,0,1]=4 322 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,1,0,0,0,0|0,0,2]=3 323 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,1,0,0,0,0|0,0,2]=3 324 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,1,0,0,0,0|0,0,2]=3 325 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,1,0,0,0,0|0,0,2]=3 326 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,1,0,0,0,0|0,0,2]=3 327 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,1,0,0,0,0|0,0,2]=3 328 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,1,0,0,0,0|0,0,2]=3 329 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,1,0,0,0,0|1,0,2]=4 330 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,1,0,0,0,0|1,0,2]=4 331 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,1,0,0,0,0|1,0,2]=4 332 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,1,0,0,0,0|1,0,2]=4 333 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,1,0,0,0,0|1,0,2]=4 334 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,1,0,0,0,0|1,0,2]=4 335 B9R0.79 O=C(O)/C(=C(\O)/C(=O)O)/O MCULE-4694187983 [0,1,0,0,0,0|1,0,0]=2 336 B9R0.79 O=C(O)C(=C(Br)C(=O)O)Br MCULE-6375677777 [0,1,0,0,0,0|1,0,0]=2 337 B9R0.79 O=C(O)C(=C(O)C(=O)O)O MCULE-1231900319 [0,1,0,0,0,0|1,0,0]=2 338 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O MCULE-5784765255 [0,1,0,0,0,0|1,0,2]=4 339 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,1,0,0,0,0|1,0,2]=4 340 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,1,0,0,0,0|1,0,2]=4 341 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,1,0,0,0,0|1,0,2]=4 342 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,1,0,0,0,0|1,0,2]=4 343 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,1,0,0,0,0|1,0,2]=4 344 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,1,0,0,0,0|1,0,2]=4 345 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,1,0,0,0,0|1,0,2]=4 346 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,1,0,0,0,0|1,0,2]=4 347 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,1,0,0,0,0|1,0,2]=4 348 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,1,0,0,0,0|1,0,2]=4 349 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,1,0,0,0,0|1,0,2]=4 350 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,1,0,0,0,0|1,0,2]=4 351 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,1,0,0,0,0|1,0,2]=4 352 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,1,0,0,0,0|1,0,2]=4 353 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,1,0,0,0,0|1,0,2]=4 354 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [0,1,0,0,0,0|1,0,2]=4 355 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,1,0,0,0,0|1,0,2]=4 356 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,1,0,0,0,0|1,0,2]=4 357 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,1,0,0,0,0|1,0,2]=4 358 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,1,0,0,0,0|1,0,2]=4 359 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,1,0,0,0,0|1,0,2]=4 360 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,1,0,0,0,0|1,0,2]=4 361 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,1,0,0,0,0|1,0,2]=4 362 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,1,0,0,0,0|1,0,2]=4 363 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O MCULE-4542712392 [0,1,0,0,0,0|1,0,2]=4 364 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,1,0,0,0,0|1,0,2]=4 365 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,1,0,0,0,0|1,0,2]=4 366 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,1,0,0,0,0|1,0,2]=4 367 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,1,0,0,0,0|1,0,2]=4 368 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,1,0,0,0,0|1,0,2]=4 369 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,1,0,0,0,0|1,0,2]=4 370 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [0,1,0,0,0,0|1,0,2]=4 371 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,1,0,0,0,0|1,0,2]=4 372 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,1,0,0,0,0|1,0,2]=4 373 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,0,0,1,0,0|1,0,2]=4 374 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,0,0,1,0,0|2,0,1]=4 375 B9R1.35 CC(=O)C1=NOC(=C1)C MCULE-1344188372 [0,0,0,1,0,0|3,0,0]=4 376 B9R1.35 CC(=O)C1=NOC(=C1)N MCULE-2906006146 [0,0,0,1,0,0|3,0,0]=4 377 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [0,0,0,1,0,0|1,0,2]=4 378 B9R1.35 CC1=CC(=CN1)C(=O)O MCULE-4982775315 [0,0,0,1,0,0|2,0,1]=4 379 B9R1.35 CC1=CC(=CO1)C(=O)O MCULE-3833413693 [0,0,0,1,0,0|1,0,1]=3 380 B9R1.35 CC1=CC(=CS1)C(=O)O MCULE-5909428849 [0,0,0,1,0,0|1,1,1]=4 381 B9R1.35 CC1=CC(=NO1)C(=O)Cl MCULE-3447259205 [0,0,0,1,0,0|3,0,0]=4 382 B9R1.35 CC1=CC(=NO1)C(=O)N MCULE-3657342744 [0,0,0,1,0,0|3,0,0]=4 383 B9R1.35 CC1=CC(=NO1)C(=O)O MCULE-5247185976 [0,0,0,1,0,0|2,0,0]=3 384 B9R1.35 CC1=CC(=NS1)C(=O)O MCULE-7973412349 [0,0,0,1,0,0|2,1,0]=4 385 B9R1.35 CC1=CNC(=C1)C(=O)O MCULE-7059587168 [0,0,0,1,0,0|3,0,0]=4 386 B9R1.35 CC1=COC(=C1)C(=O)O MCULE-9747579066 [0,0,0,1,0,0|3,0,0]=4 387 B9R1.35 CC1=CSC(=C1)C(=O)O MCULE-6801775447 [0,0,0,1,0,0|3,0,0]=4 388 B9R1.35 CC1=NC(=CO1)C(=O)O MCULE-5941440614 [0,0,0,1,0,0|2,0,1]=4 389 B9R1.35 CC1=NC(=NO1)C(=O)O MCULE-3452438122 [0,0,0,1,0,0|3,0,0]=4 390 B9R1.35 CC1=NNC(=C1)C(=O)O MCULE-9971793748 [0,0,0,1,0,0|3,0,0]=4 391 B9R1.35 CC1=NOC(=C1)C(=O)O MCULE-2998502701 [0,0,0,1,0,0|3,0,0]=4 392 B9R1.35 CC1=NSC(=C1)C(=O)O MCULE-7076994703 [0,0,0,1,0,0|3,0,0]=4 393 B9R1.35 NC(=O)C1=CC(=NO1)O MCULE-7072418191 [0,0,0,1,0,0|3,0,0]=4 394 B9R1.35 NC(=O)C1=COC(=C1)Br MCULE-5622241125 [0,0,0,1,0,0|2,0,1]=4 395 B9R1.35 NC1=CC(=CS1)C(=O)O MCULE-2963920308 [0,0,0,1,0,0|1,1,1]=4 396 B9R1.35 NC1=CC(=CS1)C(=O)O MCULE-5571428862 [0,0,0,1,0,0|1,1,1]=4 397 B9R1.35 NC1=CC(=NN1)C(=O)O MCULE-9614770025 [0,0,0,1,0,0|3,0,0]=4 398 B9R1.35 NC1=CNC(=C1)C(=O)O MCULE-5415250073 [0,0,0,1,0,0|3,0,0]=4 399 B9R1.35 NC1=CSC(=C1)C(=O)O MCULE-4848582549 [0,0,0,1,0,0|3,0,0]=4 400 B9R1.35 NC1=CSC(=C1)C(=O)O MCULE-7512029277 [0,0,0,1,0,0|3,0,0]=4 401 B9R1.35 NC1=NC(=CO1)C(=O)O MCULE-7591773620 [0,0,0,1,0,0|2,0,1]=4 402 B9R1.35 NC1=NNC(=C1)C(=O)O MCULE-3685279381 [0,0,0,1,0,0|3,0,0]=4 403 B9R1.35 NC1=NOC(=C1)C(=O)O MCULE-6813059933 [0,0,0,1,0,0|3,0,0]=4 404 B9R1.35 O=C(O)C1=CC(=CN1)Br MCULE-5413993794 [0,0,0,1,0,0|3,0,0]=4 405 B9R1.35 O=C(O)C1=CC(=CN1)Cl MCULE-3563331543 [0,0,0,1,0,0|3,0,0]=4 406 B9R1.35 O=C(O)C1=CC(=CN1)F MCULE-5396770825 [0,0,0,1,0,0|3,0,0]=4 407 B9R1.35 O=C(O)C1=CC(=CN1)I MCULE-6663353052 [0,0,0,1,0,0|3,0,0]=4 408 B9R1.35 O=C(O)C1=CC(=CO1)Br MCULE-8874165183 [0,0,0,1,0,0|3,0,0]=4 409 B9R1.35 O=C(O)C1=CC(=CO1)Cl MCULE-2755887010 [0,0,0,1,0,0|3,0,0]=4 410 B9R1.35 O=C(O)C1=CC(=CS1)Br MCULE-3215230238 [0,0,0,1,0,0|3,0,0]=4 411 B9R1.35 O=C(O)C1=CC(=CS1)Cl MCULE-5391563592 [0,0,0,1,0,0|3,0,0]=4 412 B9R1.35 O=C(O)C1=CC(=CS1)F MCULE-6565971084 [0,0,0,1,0,0|3,0,0]=4 413 B9R1.35 O=C(O)C1=CC(=CS1)O MCULE-4772728495 [0,0,0,1,0,0|2,0,0]=3 414 B9R1.35 O=C(O)C1=CC(=NN1)F MCULE-6990144057 [0,0,0,1,0,0|3,0,0]=4 415 B9R1.35 O=C(O)C1=CC(=NO1)Br MCULE-6001904598 [0,0,0,1,0,0|3,0,0]=4 416 B9R1.35 O=C(O)C1=CC(=NO1)Cl MCULE-3407836735 [0,0,0,1,0,0|3,0,0]=4 417 B9R1.35 O=C(O)C1=CC(=NO1)O MCULE-4091331329 [0,0,0,1,0,0|2,0,0]=3 418 B9R1.35 O=C(O)C1=CC(=NS1)Br MCULE-4532819327 [0,0,0,1,0,0|3,0,0]=4 419 B9R1.35 O=C(O)C1=CC(=NS1)Cl MCULE-1642084386 [0,0,0,1,0,0|3,0,0]=4 420 B9R1.35 O=C(O)C1=CC(CC1)O MCULE-6046983646 [0,0,0,1,0,0|1,0,1]=3 421 B9R1.35 O=C(O)C1=CNC(=C1)Br MCULE-7070022577 [0,0,0,1,0,0|2,0,1]=4 422 B9R1.35 O=C(O)C1=CNC(=C1)Cl MCULE-3108565697 [0,0,0,1,0,0|2,0,1]=4 423 B9R1.35 O=C(O)C1=COC(=C1)Br MCULE-1089920498 [0,0,0,1,0,0|1,0,1]=3 424 B9R1.35 O=C(O)C1=COC(=C1)Cl MCULE-2469235944 [0,0,0,1,0,0|1,0,1]=3 425 B9R1.35 O=C(O)C1=COC(=N1)Br MCULE-2675592853 [0,0,0,1,0,0|2,0,1]=4 426 B9R1.35 O=C(O)C1=COC(=N1)Cl MCULE-9123994881 [0,0,0,1,0,0|2,0,1]=4 427 B9R1.35 O=C(O)C1=COC(=N1)I MCULE-9039043557 [0,0,0,1,0,0|2,0,1]=4 428 B9R1.35 O=C(O)C1=CSC(=C1)Br MCULE-5219101423 [0,0,0,1,0,0|1,1,1]=4 429 B9R1.35 O=C(O)C1=CSC(=C1)Cl MCULE-4675960369 [0,0,0,1,0,0|1,1,1]=4 430 B9R1.35 O=C(O)C1=CSC(=C1)F MCULE-4657799890 [0,0,0,1,0,0|1,1,1]=4 431 B9R1.35 O=C(O)C1=CSC(=C1)I MCULE-1455425367 [0,0,0,1,0,0|1,1,1]=4 432 B9R1.35 O=C(O)C1=NNC(=C1)Br MCULE-7119502457 [0,0,0,1,0,0|3,0,0]=4 433 B9R1.35 O=C(O)C1=NNC(=C1)Cl MCULE-1848969347 [0,0,0,1,0,0|3,0,0]=4 434 B9R1.35 O=C(O)C1=NNC(=C1)I MCULE-2058971552 [0,0,0,1,0,0|3,0,0]=4 435 B9R1.35 O=C(O)C1=NNC(=N1)O MCULE-2701424429 [0,0,0,1,0,0|3,0,0]=4 436 B9R1.35 O=C(O)C1=NOC(=C1)Cl MCULE-3208024268 [0,0,0,1,0,0|2,0,0]=3 437 B9R1.35 O=C(O)C1=NOC(=C1)I MCULE-9975628012 [0,0,0,1,0,0|2,0,0]=3 438 B9R1.35 O=C(O)C1=NSC(=C1)Br MCULE-6900768660 [0,0,0,1,0,0|2,1,0]=4 439 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [0,0,0,1,0,0|1,0,0]=2 440 B9R1.35 O=C1C=C(NN1)C(=O)O MCULE-2820101826 [0,0,0,1,0,0|2,0,0]=3 441 B9R1.35 O=C1CC(=NN1)C(=O)O MCULE-2135539733 [0,0,0,1,0,0|2,0,1]=4 442 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [0,0,0,1,0,0|1,0,2]=4 443 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [0,0,0,1,0,0|0,0,2]=3 444 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [0,0,0,1,0,0|0,1,2]=4 445 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,0,0,1,0,0|1,0,2]=4 446 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,0,0,1,0,0|2,0,1]=4 447 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,0,0,1,0,0|2,0,1]=4 448 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,0,0,1,0,0|2,0,1]=4 449 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,0,0,1,0,0|2,0,1]=4 450 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,0,0,1,0,0|1,0,2]=4 451 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,0,0,1,0,0|1,0,2]=4 452 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,0,0,1,0,0|2,0,1]=4 453 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,0,0,1,0,0|2,0,1]=4 454 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,0,0,1,0,0|2,0,1]=4 455 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,0,0,1,0,0|2,0,1]=4 456 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,0,0,1,0,0|1,0,2]=4 457 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,0,0,1,0,0|1,0,2]=4 458 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,0,0,1,0,0|2,0,1]=4 459 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,0,0,1,0,0|2,0,1]=4 460 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,0,0,1,0,0|2,0,1]=4 461 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,0,0,1,0,0|2,0,1]=4 462 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,0,0,1,0,0|2,0,1]=4 463 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,0,0,1,0,0|2,0,1]=4 464 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [0,0,0,1,0,0|1,0,2]=4 465 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [0,0,0,1,0,0|1,0,2]=4 466 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [0,0,0,1,0,0|1,0,2]=4 467 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [0,0,0,1,0,0|1,0,2]=4 468 B9R1.35 O=C1N=C(NO1)C(=O)[O-] MCULE-2321750529 [0,0,0,1,0,0|2,0,1]=4 469 B9R1.35 O=C1NC(=CO1)C(=O)O MCULE-2610586771 [0,0,0,1,0,0|1,0,1]=3 470 B9R1.35 O=C1NC(=CS1)C(=O)O MCULE-6848220699 [0,0,0,1,0,0|1,1,1]=4 471 B9R1.35 O=C1NC(=NO1)C(=O)O MCULE-5897124585 [0,0,0,1,0,0|2,0,0]=3 472 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [0,0,0,1,0,0|1,0,1]=3 473 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [0,0,0,1,0,0|1,1,1]=4 474 B9R1.35 O=C1NC=C(N1)C(=O)O MCULE-2879870126 [0,0,0,1,0,0|2,0,1]=4 475 B9R1.35 O=C1NC=C(O1)C(=O)O MCULE-1855563319 [0,0,0,1,0,0|2,0,1]=4 476 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [0,0,0,1,0,0|2,0,1]=4 477 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [0,0,0,1,0,0|2,0,1]=4 478 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [0,0,0,1,0,0|2,0,1]=4 479 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [0,0,0,1,0,0|2,0,1]=4 480 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [0,0,0,1,0,0|2,0,1]=4 481 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [0,0,0,1,0,0|2,0,1]=4 482 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [0,0,0,1,0,0|2,0,1]=4 483 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [0,0,0,1,0,0|2,0,1]=4 484 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [0,0,0,1,0,0|1,0,1]=3 485 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [0,0,0,1,0,0|1,0,1]=3 486 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [0,0,0,1,0,0|1,1,1]=4 487 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [0,0,0,1,0,0|1,1,1]=4 488 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [0,0,0,1,0,0|1,0,1]=3 489 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [0,0,0,1,0,0|1,0,1]=3 490 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [0,0,0,1,0,0|1,1,1]=4 491 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [0,0,0,1,0,0|1,0,1]=3 492 B9R1.69 CC1=C(C=C(C=C1)O)C MCULE-1568356481 [0,0,0,1,0,0|3,0,0]=4 493 B9R1.69 CC1=C(C=CC(=C1)Br)O MCULE-6725792437 [0,0,0,1,0,0|3,0,0]=4 494 B9R1.69 CC1=C(C=CC(=C1)Cl)O MCULE-5116771906 [0,0,0,1,0,0|3,0,0]=4 495 B9R1.69 CC1=C(C=CC(=C1)F)O MCULE-9842882305 [0,0,0,1,0,0|3,0,0]=4 496 B9R1.69 CC1=C(C=CC(=C1)O)Cl MCULE-7719563630 [0,0,0,1,0,0|3,0,0]=4 497 B9R1.69 CC1=C(C=CC(=C1)O)N MCULE-5234030253 [0,0,0,1,0,0|3,0,0]=4 498 B9R1.69 CC1=C(C=CC(=C1)O)N MCULE-5448336083 [0,0,0,1,0,0|3,0,0]=4 499 B9R1.69 CC1=C(C=CC(=C1)O)O MCULE-7035325950 [0,0,0,1,0,0|2,0,0]=3 500 B9R1.69 CC1=C(C=NC(=C1)Br)O MCULE-2175886846 [0,0,0,1,0,0|3,0,0]=4 501 B9R1.69 CC1=C(C=NC(=C1)Cl)O MCULE-5318611016 [0,0,0,1,0,0|3,0,0]=4 502 B9R1.69 CC1=C(C=NC(=C1)F)O MCULE-6590357636 [0,0,0,1,0,0|3,0,0]=4 503 B9R1.69 CC1=C(C=NC(=C1)N)O MCULE-8232064259 [0,0,0,1,0,0|3,0,0]=4 504 B9R1.69 CC1=C(N=CC(=C1)Br)O MCULE-9790460337 [0,0,0,1,0,0|3,0,0]=4 505 B9R1.69 CC1=C(N=CC(=C1)O)Br MCULE-2888785984 [0,0,0,1,0,0|3,0,0]=4 506 B9R1.69 CC1=C(N=CC(=C1)O)C MCULE-3821619059 [0,0,0,1,0,0|3,0,0]=4 507 B9R1.69 CC1=C(N=CC(=C1)O)Cl MCULE-5477221303 [0,0,0,1,0,0|3,0,0]=4 508 B9R1.69 CC1=C(N=CC(=C1)O)N MCULE-7193188616 [0,0,0,1,0,0|3,0,0]=4 509 B9R1.69 CC1=C(N=NC(=C1)O)C MCULE-5958698617 [0,0,0,1,0,0|3,0,0]=4 510 B9R1.69 CC1=CC(=C(C=C1)O)C MCULE-2639440236 [0,0,0,1,0,0|3,0,0]=4 511 B9R1.69 CC1=CC(=C(C=N1)O)C MCULE-3927962852 [0,0,0,1,0,0|3,0,0]=4 512 B9R1.69 CC1=CC(=CC=C1Br)O MCULE-9991476294 [0,0,0,1,0,0|3,0,0]=4 513 B9R1.69 CC1=CC(=CC=C1F)O MCULE-4791995329 [0,0,0,1,0,0|3,0,0]=4 514 B9R1.69 CC1=CC(=CC=C1I)O MCULE-8054943379 [0,0,0,1,0,0|3,0,0]=4 515 B9R1.69 CC1=CC(=CC=C1O)I MCULE-7461663271 [0,0,0,1,0,0|3,0,0]=4 516 B9R1.69 CC1=CC(=CC=C1O)N MCULE-8949864692 [0,0,0,1,0,0|3,0,0]=4 517 B9R1.69 CC1=CC(=CC=C1O)N MCULE-9848828222 [0,0,0,1,0,0|3,0,0]=4 518 B9R1.69 CC1=CC(=CC=C1O)S MCULE-6500413930 [0,0,0,1,0,0|2,1,0]=4 519 B9R1.69 CC1=CC(=CN=C1F)O MCULE-4301986908 [0,0,0,1,0,0|3,0,0]=4 520 B9R1.69 CC1=CC(=CN=C1O)Cl MCULE-8438491888 [0,0,0,1,0,0|3,0,0]=4 521 B9R1.69 CC1=CC(=CNC1=O)I MCULE-1141486084 [0,0,0,1,0,0|3,0,0]=4 522 B9R1.69 CC1=CC(=CNC1=O)N MCULE-7719078796 [0,0,0,1,0,0|3,0,0]=4 523 B9R1.69 CC1=CC(=COC1=O)Br MCULE-6085127770 [0,0,0,1,0,0|2,0,0]=3 524 B9R1.69 CC1=CC(=NC=C1Cl)O MCULE-2628171161 [0,0,0,1,0,0|3,0,0]=4 525 B9R1.69 CC1=CC(=NC=C1F)O MCULE-8653225273 [0,0,0,1,0,0|3,0,0]=4 526 B9R1.69 CC1=CC(=NC=C1I)O MCULE-5349325446 [0,0,0,1,0,0|3,0,0]=4 527 B9R1.69 CC1=CC(=NC=C1N)O MCULE-4046293542 [0,0,0,1,0,0|3,0,0]=4 528 B9R1.69 CC1=CC(=NN=C1O)Cl MCULE-1917248421 [0,0,0,1,0,0|3,0,0]=4 529 B9R1.69 CC1=CC(=NNC1=O)C MCULE-2276135867 [0,0,0,1,0,0|3,0,0]=4 530 B9R1.69 CC1=CC(=O)C(=CO1)O MCULE-1008730092 [0,0,0,1,0,0|3,0,0]=4 531 B9R1.69 CC1=CC(=O)C=CC1=O MCULE-9650878933 [0,0,0,1,0,0|2,0,0]=3 532 B9R1.69 CC1=CC(=O)N=NC1=O MCULE-7254554797 [0,0,0,1,0,0|2,0,0]=3 533 B9R1.69 CC1=CC(=O)NC=C1Br MCULE-8891123753 [0,0,0,1,0,0|3,0,0]=4 534 B9R1.69 CC1=CC(=O)NN=C1Cl MCULE-5144372564 [0,0,0,1,0,0|3,0,0]=4 535 B9R1.69 CC1=CC(=O)NNC1=O MCULE-6634066970 [0,0,0,1,0,0|2,0,0]=3 536 B9R1.69 CC1=CNC(=O)C(=C1)C MCULE-6887477159 [0,0,0,1,0,0|3,0,0]=4 537 B9R1.69 CC1=CNC(=O)C=C1C MCULE-7565124087 [0,0,0,1,0,0|3,0,0]=4 538 B9R1.69 CC1OC(=O)COC1=O MCULE-8718960339 [0,0,0,1,0,0|2,0,1]=4 539 B9R1.69 CN1C=C(C=CC1=O)O MCULE-9715288226 [0,0,0,1,0,0|3,0,0]=4 540 B9R1.69 NC1=CC(=CC=C1O)O MCULE-1966420290 [0,0,0,1,0,0|3,0,0]=4 541 B9R1.69 NC1=CC(=CC=C1O)O MCULE-2745404604 [0,0,0,1,0,0|3,0,0]=4 542 B9R1.69 O=C1C=CC(=O)C(=C1)Br MCULE-5586115628 [0,0,0,1,0,0|3,0,0]=4 543 B9R1.69 O=C1C=CC(=O)C(=C1)Cl MCULE-1579895781 [0,0,0,1,0,0|3,0,0]=4 544 B9R1.69 O=C1C=CC(=O)C(=C1)I MCULE-1220508693 [0,0,0,1,0,0|3,0,0]=4 545 B9R1.69 O=C1OC=C(C=C1Br)Br MCULE-8458560788 [0,0,0,1,0,0|3,0,0]=4 546 B9R1.69 OC1=CC(=C(C=C1)O)Br MCULE-7894538628 [0,0,0,1,0,0|3,0,0]=4 547 B9R1.69 OC1=CC(=C(C=C1)O)Cl MCULE-1544406646 [0,0,0,1,0,0|3,0,0]=4 548 B9R1.69 OC1=CC(=C(C=C1)O)F MCULE-7342403868 [0,0,0,1,0,0|3,0,0]=4 549 B9R1.69 OC1=CC(=C(C=C1)O)O MCULE-7246728993 [0,0,0,1,0,0|3,0,0]=4 550 B9R1.69 OC1=CC(=C(N=N1)O)Br MCULE-1785056960 [0,0,0,1,0,0|3,0,0]=4 551 B9R1.69 OC1=CC=C(C(=C1)S)O MCULE-4223537116 [0,0,0,1,0,0|3,0,0]=4 552 B9R1.69 OC1=NN=C(C(=C1)Cl)O MCULE-2672137288 [0,0,0,1,0,0|3,0,0]=4 553 B9R1.112 C/C(=C\C1CC1)/C(=O)O MCULE-1913340747 [0,0,0,1,0,0|2,0,1]=4 554 B9R1.137 C/C(=C/C(=O)O)/C1CC1 MCULE-5654935007 [0,0,0,1,0,0|2,0,1]=4 555 B9R1.137 CC(=CC(=O)O)C1CC1 MCULE-7697317178 [0,0,0,1,0,0|2,0,1]=4 556 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [0,0,0,1,0,0|1,0,2]=4 557 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [0,0,0,1,0,0|1,0,2]=4 558 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [0,0,0,1,0,0|0,0,2]=3 559 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [0,0,0,1,0,0|1,0,2]=4 560 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [0,0,0,1,0,0|0,0,2]=3 561 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [0,0,0,1,0,0|0,0,2]=3 562 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [0,0,0,1,0,0|0,0,2]=3 563 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [0,0,0,1,0,0|1,0,2]=4 564 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [0,0,0,1,0,0|1,0,2]=4 565 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [0,0,0,1,0,0|0,0,2]=3 566 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [0,0,0,1,0,0|0,0,2]=3 567 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [0,0,0,1,0,0|0,0,2]=3 568 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [0,0,0,1,0,0|1,0,2]=4 569 B9R1.164 CC1(C=C(C1)C(=O)O)C MCULE-6051429831 [0,0,0,1,0,0|2,0,1]=4 570 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,0,0,0,1,0|0,0,1]=2 571 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [0,0,0,0,1,0|3,0,0]=4 572 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [0,0,0,0,1,0|2,0,0]=3 573 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,0,0,0,1,0|2,0,0]=3 574 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [0,0,0,0,1,0|3,0,0]=4 575 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [0,0,0,0,1,0|3,0,0]=4 576 B7R0.16 CC(=O)C(=C(C)[O-])C MCULE-1358390281 [0,0,0,0,1,0|2,0,1]=4 577 B7R0.16 CC(=O)C(=C(C)[O-])C MCULE-6098819264 [0,0,0,0,1,0|2,0,1]=4 578 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,0,0,0,1,0|2,0,1]=4 579 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [0,0,0,0,1,0|3,0,0]=4 580 B7R0.16 CC(C(=O)Cl)C(=O)Cl MCULE-5269923120 [0,0,0,0,1,0|2,0,1]=4 581 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,0,0,0,1,0|2,0,1]=4 582 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,0,0,0,1,0|0,0,1]=2 583 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-4632089491 [0,0,0,0,1,0|0,0,3]=4 584 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-8764180648 [0,0,0,0,1,0|0,0,3]=4 585 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,0,0,0,1,0|1,0,2]=4 586 B7R0.16 CN(C(=O)Cl)C(=O)Cl MCULE-8169088410 [0,0,0,0,1,0|3,0,0]=4 587 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,0,0,0,1,0|1,0,2]=4 588 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,0,0,0,1,0|1,0,1]=3 589 B7R0.16 O=C(O)C(=C(Cl)Cl)Cl MCULE-4004262160 [0,0,0,0,1,0|3,0,0]=4 590 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,0,0,0,1,0|1,0,0]=2 591 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,0,0,0,1,0|1,0,1]=3 592 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,0,0,0,1,0|1,0,1]=3 593 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,0,0,0,1,0|1,0,1]=3 594 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-3642448111 [0,0,0,0,1,0|1,0,2]=4 595 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-7835235837 [0,0,0,0,1,0|1,0,2]=4 596 B9R0.7 C/C(=N/NC(=O)N)/C(=O)O MCULE-9321060192 [0,0,0,0,0,1|2,0,0]=3 597 B9R0.7 C/C(=N\NC(=O)N)/C(=O)O MCULE-7459723879 [0,0,0,0,0,1|2,0,0]=3 598 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,0,0,0,0,1|0,0,2]=3 599 B9R0.7 CC(=NN=C(N)N)C(=O)O MCULE-8715560607 [0,0,0,0,0,1|3,0,0]=4 600 B9R0.7 CC(=NNC(=O)N)C(=O)O MCULE-9419629764 [0,0,0,0,0,1|2,0,0]=3 601 B9R0.7 CC(=NNC(=S)N)C(=O)O MCULE-9863705232 [0,0,0,0,0,1|2,1,0]=4 602 B9R0.7 CC(=O)C(=NNC(=O)N)C MCULE-7750017468 [0,0,0,0,0,1|3,0,0]=4 603 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,0,0,0,0,1|1,0,2]=4 604 B9R0.7 CC(=O)N(C)CCC(=O)O MCULE-3939402773 [0,0,0,0,0,1|2,0,1]=4 605 B9R0.7 CC(=O)NN=C(C)C(=O)O MCULE-4949211950 [0,0,0,0,0,1|2,0,0]=3 606 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,0,0,0,0,1|1,0,2]=4 607 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,0,0,0,0,1|1,0,2]=4 608 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,0,0,0,0,1|1,0,2]=4 609 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,0,0,0,0,1|0,0,2]=3 610 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,0,0,0,0,1|0,0,2]=3 611 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [0,0,0,0,0,1|1,0,2]=4 612 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,0,0,0,0,1|0,0,2]=3 613 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,0,0,0,0,1|0,0,2]=3 614 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,0,0,0,0,1|0,0,2]=3 615 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,0,0,0,0,1|0,0,2]=3 616 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,0,0,0,0,1|0,0,2]=3 617 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,0,0,0,0,1|0,0,2]=3 618 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,0,0,0,0,1|0,0,2]=3 619 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,0,0,0,0,1|0,0,2]=3 620 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,0,0,0,0,1|1,0,2]=4 621 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,0,0,0,0,1|1,0,2]=4 622 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,0,0,0,0,1|1,0,2]=4 623 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,0,0,0,0,1|1,0,2]=4 624 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,0,0,0,0,1|1,0,2]=4 625 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,0,0,0,0,1|1,0,2]=4 626 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,0,0,0,0,1|1,0,2]=4 627 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,0,0,0,0,1|1,0,2]=4 628 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,0,0,0,0,1|1,0,2]=4 629 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,0,0,0,0,1|1,0,2]=4 630 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,0,0,0,0,1|1,0,1]=3 631 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [0,0,0,0,0,1|1,0,2]=4 632 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,0,0,0,0,1|1,0,2]=4 633 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,0,0,0,0,1|1,0,2]=4 634 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,0,0,0,0,1|1,0,2]=4 635 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,0,0,0,0,1|1,0,2]=4 636 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,0,0,0,0,1|1,0,2]=4 637 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,0,0,0,0,1|1,0,2]=4 638 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,0,0,0,0,1|1,0,2]=4 639 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,0,0,0,0,1|1,0,2]=4 640 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [0,0,0,0,0,1|1,0,1]=3 641 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [0,0,0,0,0,1|1,0,2]=4 642 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,0,0,0,0,1|1,0,2]=4 643 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,0,0,0,0,1|1,0,2]=4 644 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [0,0,0,0,0,1|0,0,0]=1 645 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [0,0,0,0,0,1|0,0,0]=1 646 B9R0.53 CC(=CC(=O)[O-])NC(=O)N MCULE-1665858457 [0,0,0,0,0,1|1,0,1]=3 647 B9R0.53 CC(=CC(=O)[O-])NC(=O)N MCULE-9752039511 [0,0,0,0,0,1|1,0,1]=3 648 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [0,0,0,0,0,1|1,0,2]=4 649 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [0,0,0,0,0,1|0,0,2]=3 650 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [0,0,0,0,0,1|1,0,2]=4 651 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [0,0,0,0,0,1|1,0,1]=3 652 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [0,0,0,0,0,1|1,0,1]=3 653 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,0,0,0,0,1|1,0,2]=4 654 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,0,0,0,0,1|1,0,2]=4 655 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [0,0,0,0,0,1|2,0,1]=4 656 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [0,0,0,0,0,1|1,0,0]=2 657 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [0,0,0,0,0,1|1,0,1]=3 658 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [0,0,0,0,0,1|1,0,2]=4 659 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [0,0,0,0,0,1|2,0,1]=4 660 B6R0.1 C/C(=N\O)/C=N/O MCULE-3049929204 [2,0,0,0,0,0|2,0,0]=4 661 B6R0.1 CC(=CN=O)NO MCULE-1780424821 [2,0,0,0,0,0|2,0,0]=4 662 B6R0.1 CC(=NO)C=NO MCULE-9711224051 [2,0,0,0,0,0|2,0,0]=4 663 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [2,0,0,0,0,0|1,0,1]=4 664 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [2,0,0,0,0,0|1,0,1]=4 665 B6R0.2 C=C(C)C=C(C)C MCULE-1842732141 [2,0,0,0,0,0|2,0,0]=4 666 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [2,0,0,0,0,0|1,0,1]=4 667 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [2,0,0,0,0,0|0,0,1]=3 668 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [2,0,0,0,0,0|2,0,0]=4 669 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [2,0,0,0,0,0|1,0,1]=4 670 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [2,0,0,0,0,0|1,0,1]=4 671 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [2,0,0,0,0,0|1,0,1]=4 672 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [2,0,0,0,0,0|0,0,1]=3 673 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [2,0,0,0,0,0|1,0,0]=3 674 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [2,0,0,0,0,0|1,0,0]=3 675 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [2,0,0,0,0,0|1,0,0]=3 676 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [2,0,0,0,0,0|2,0,0]=4 677 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [2,0,0,0,0,0|1,0,1]=4 678 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [2,0,0,0,0,0|1,0,1]=4 679 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [2,0,0,0,0,0|2,0,0]=4 680 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [2,0,0,0,0,0|1,0,1]=4 681 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [2,0,0,0,0,0|2,0,0]=4 682 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [2,0,0,0,0,0|1,0,0]=3 683 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [2,0,0,0,0,0|1,0,1]=4 684 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [2,0,0,0,0,0|1,0,1]=4 685 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [2,0,0,0,0,0|1,0,1]=4 686 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [2,0,0,0,0,0|0,0,1]=3 687 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [2,0,0,0,0,0|0,0,2]=4 688 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [2,0,0,0,0,0|0,0,2]=4 689 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [2,0,0,0,0,0|2,0,0]=4 690 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [2,0,0,0,0,0|2,0,0]=4 691 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [2,0,0,0,0,0|2,0,0]=4 692 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [2,0,0,0,0,0|2,0,0]=4 693 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [2,0,0,0,0,0|1,0,1]=4 694 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [2,0,0,0,0,0|1,0,1]=4 695 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [2,0,0,0,0,0|0,0,2]=4 696 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [2,0,0,0,0,0|0,0,2]=4 697 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [2,0,0,0,0,0|0,0,2]=4 698 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [2,0,0,0,0,0|0,0,2]=4 699 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [2,0,0,0,0,0|0,0,2]=4 700 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [2,0,0,0,0,0|0,0,2]=4 701 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [2,0,0,0,0,0|1,0,1]=4 702 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [2,0,0,0,0,0|2,0,0]=4 703 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [2,0,0,0,0,0|2,0,0]=4 704 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [2,0,0,0,0,0|1,0,1]=4 705 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [2,0,0,0,0,0|1,0,1]=4 706 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [2,0,0,0,0,0|1,0,0]=3 707 B6R0.4 C=CC=CC(=O)Cl MCULE-6383997047 [2,0,0,0,0,0|2,0,0]=4 708 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [2,0,0,0,0,0|1,0,0]=3 709 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [2,0,0,0,0,0|1,0,1]=4 710 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [2,0,0,0,0,0|1,0,1]=4 711 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [2,0,0,0,0,0|1,0,1]=4 712 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [2,0,0,0,0,0|2,0,0]=4 713 B6R0.4 COC=CC(=O)O MCULE-4252899122 [2,0,0,0,0,0|2,0,0]=4 714 B6R0.4 N#CC=CC(=O)O MCULE-9790502930 [2,0,0,0,0,0|1,0,1]=4 715 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [2,0,0,0,0,0|1,0,1]=4 716 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [2,0,0,0,0,0|1,0,1]=4 717 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [2,0,0,0,0,0|1,0,1]=4 718 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [2,0,0,0,0,0|1,0,1]=4 719 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [2,0,0,0,0,0|1,0,1]=4 720 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [2,0,0,0,0,0|0,0,1]=3 721 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [2,0,0,0,0,0|1,0,1]=4 722 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [2,0,0,0,0,0|1,0,1]=4 723 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [2,0,0,0,0,0|0,0,1]=3 724 B6R0.4 O=CC=CB(O)O MCULE-4655446000 [2,0,0,0,0,0|1,0,1]=4 725 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [2,0,0,0,0,0|0,0,2]=4 726 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [2,0,0,0,0,0|1,0,1]=4 727 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [2,0,0,0,0,0|0,0,1]=3 728 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [2,0,0,0,0,0|1,0,1]=4 729 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [2,0,0,0,0,0|0,0,1]=3 730 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [2,0,0,0,0,0|1,0,1]=4 731 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [2,0,0,0,0,0|0,0,2]=4 732 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [2,0,0,0,0,0|1,0,0]=3 733 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [2,0,0,0,0,0|0,0,1]=3 734 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [2,0,0,0,0,0|1,0,1]=4 735 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [2,0,0,0,0,0|1,0,1]=4 736 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [2,0,0,0,0,0|1,0,1]=4 737 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [2,0,0,0,0,0|1,0,1]=4 738 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [2,0,0,0,0,0|1,0,1]=4 739 B6R0.3 C=CN(C)C(=O)C MCULE-2418332000 [2,0,0,0,0,0|2,0,0]=4 740 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [2,0,0,0,0,0|0,0,1]=3 741 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [2,0,0,0,0,0|1,0,1]=4 742 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [2,0,0,0,0,0|1,0,1]=4 743 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [2,0,0,0,0,0|1,0,1]=4 744 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [2,0,0,0,0,0|0,0,1]=3 745 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [2,0,0,0,0,0|0,0,1]=3 746 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [2,0,0,0,0,0|0,0,1]=3 747 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [2,0,0,0,0,0|1,0,1]=4 748 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [2,0,0,0,0,0|1,0,1]=4 749 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [2,0,0,0,0,0|1,0,1]=4 750 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [2,0,0,0,0,0|1,0,1]=4 751 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [2,0,0,0,0,0|1,0,0]=3 752 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [2,0,0,0,0,0|1,0,0]=3 753 B6R0.3 CC(=O)/C(=N/O)/C MCULE-2017881701 [2,0,0,0,0,0|2,0,0]=4 754 B6R0.3 CC(=O)/C(=N\O)/C MCULE-6814264333 [2,0,0,0,0,0|2,0,0]=4 755 B6R0.3 CC(=O)C(=NO)C MCULE-3626428375 [2,0,0,0,0,0|2,0,0]=4 756 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [2,0,0,0,0,0|1,0,1]=4 757 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [2,0,0,0,0,0|0,0,2]=4 758 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [2,0,0,0,0,0|1,0,1]=4 759 B6R0.3 CC=C(C)C(=O)C MCULE-8950290711 [2,0,0,0,0,0|1,0,1]=4 760 B6R0.3 CC=C(C)C(=O)Cl MCULE-2974704783 [2,0,0,0,0,0|1,0,1]=4 761 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [2,0,0,0,0,0|0,0,1]=3 762 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [2,0,0,0,0,0|1,0,1]=4 763 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [2,0,0,0,0,0|1,0,1]=4 764 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [2,0,0,0,0,0|1,0,1]=4 765 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [2,0,0,0,0,0|0,0,2]=4 766 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [2,0,0,0,0,0|0,0,2]=4 767 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [2,0,0,0,0,0|0,0,2]=4 768 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [2,0,0,0,0,0|0,0,2]=4 769 B6R0.3 O=C(O)/C(=C/Cl)/Cl MCULE-4317518344 [2,0,0,0,0,0|2,0,0]=4 770 B6R0.3 O=C(O)C(=CCl)Cl MCULE-2693859334 [2,0,0,0,0,0|2,0,0]=4 771 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [2,0,0,0,0,0|1,0,1]=4 772 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [2,0,0,0,0,0|1,0,1]=4 773 B8R0.2 O=C/C(=C(/Br)\C(=O)O)/Br MCULE-4235787323 [1,1,0,0,0,0|1,0,0]=3 774 B8R0.2 O=C/C(=C(/Cl)\C(=O)O)/Cl MCULE-5383258560 [1,1,0,0,0,0|1,0,0]=3 775 B8R0.2 O=C/C(=C(\Cl)/C(=O)O)/Cl MCULE-2800807401 [1,1,0,0,0,0|1,0,0]=3 776 B8R0.2 O=CC(=C(Br)C(=O)O)Br MCULE-6159934056 [1,1,0,0,0,0|1,0,0]=3 777 B8R0.2 O=CC(=C(Cl)C(=O)O)Cl MCULE-1478625845 [1,1,0,0,0,0|1,0,0]=3 778 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [1,1,0,0,0,0|1,0,1]=4 779 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [1,1,0,0,0,0|1,0,1]=4 780 B8R0.5 COCC(=CC(=O)O)C MCULE-7202220126 [1,1,0,0,0,0|0,0,1]=3 781 B8R0.16 CCC(=CC(=O)O)CC MCULE-1347248467 [1,1,0,0,0,0|1,0,1]=4 782 B8R0.19 CN/C(=C/C(=O)OC)/C MCULE-6748104823 [1,1,0,0,0,0|2,0,0]=4 783 B8R0.19 CN/C(=C\C(=O)OC)/C MCULE-6583518879 [1,1,0,0,0,0|2,0,0]=4 784 B8R0.19 CNC(=CC(=O)OC)C MCULE-1607524183 [1,1,0,0,0,0|2,0,0]=4 785 B8R0.19 COC(=O)/C=C(\C)/OC MCULE-8813923973 [1,1,0,0,0,0|2,0,0]=4 786 B8R0.19 COC(=O)C=C(C)C=O MCULE-8776671343 [1,1,0,0,0,0|0,0,0]=2 787 B8R0.19 COC(=O)C=C(C)OC MCULE-1610055087 [1,1,0,0,0,0|2,0,0]=4 788 B8R0.19 COC(=O)CC(C)C=O MCULE-1183479071 [1,1,0,0,0,0|0,0,2]=4 789 B8R0.19 COC(=O)CN(C)C=O MCULE-9266775990 [1,1,0,0,0,0|1,0,1]=4 790 B8R0.3 CCC=C(C)C(=O)OC MCULE-1695208139 [1,1,0,0,0,0|1,0,1]=4 791 B8R0.3 COC(=O)C(=CCCl)C MCULE-4648119495 [1,1,0,0,0,0|1,0,1]=4 792 B8R0.3 COC(=O)C(=CCO)C MCULE-7930614060 [1,1,0,0,0,0|0,0,1]=3 793 B8R0.3 COC(=O)C(C)NC=O MCULE-7583002028 [1,1,0,0,0,0|1,0,1]=4 794 B8R0.3 COC(=O)[C@H](C)NC=O MCULE-3891029916 [1,1,0,0,0,0|1,0,1]=4 795 B8R0.3 COC(=O)[C@H](C)NC=O MCULE-5938491065 [1,1,0,0,0,0|1,0,1]=4 796 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [1,1,0,0,0,0|1,0,1]=4 797 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [1,1,0,0,0,0|1,0,1]=4 798 B8R0.15 CCC(NC=O)C(=O)O MCULE-6163876154 [1,1,0,0,0,0|1,0,1]=4 799 B8R0.15 O=CN[C@@H](CS)C(=O)O MCULE-9815114026 [1,1,0,0,0,0|1,0,1]=4 800 B8R0.9 C(=CC(=O)NC)C(=O)O MCULE-6946307549 [1,1,0,0,0,0|1,0,0]=3 801 B8R0.9 CC=C(C)C=CC(=O)O MCULE-4818681786 [1,1,0,0,0,0|2,0,0]=4 802 B8R0.9 CCC(=O)C=CC(=O)O MCULE-2770953486 [1,1,0,0,0,0|1,0,0]=3 803 B8R0.9 CNC(=O)/C=C\C(=O)O MCULE-9272095560 [1,1,0,0,0,0|1,0,0]=3 804 B8R0.9 COC(=O)/C=C/B(O)O MCULE-6209327855 [1,1,0,0,0,0|1,0,1]=4 805 B8R0.9 COC(=O)/C=C/C(=O)C MCULE-7597345789 [1,1,0,0,0,0|1,0,0]=3 806 B8R0.9 COC(=O)/C=C/C(=O)N MCULE-9155646828 [1,1,0,0,0,0|1,0,0]=3 807 B8R0.9 COC(=O)/C=C/C(=O)O MCULE-6611318809 [1,1,0,0,0,0|0,0,0]=2 808 B8R0.9 COC(=O)/C=C\C(=O)O MCULE-6268249504 [1,1,0,0,0,0|0,0,0]=2 809 B8R0.9 COC(=O)C=CC(=O)C MCULE-5746687781 [1,1,0,0,0,0|1,0,0]=3 810 B8R0.9 COC(=O)C=CC(=O)Cl MCULE-8442342779 [1,1,0,0,0,0|1,0,0]=3 811 B8R0.9 COC(=O)C=CC(=O)O MCULE-3111892186 [1,1,0,0,0,0|0,0,0]=2 812 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [1,1,0,0,0,0|0,0,2]=4 813 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [1,1,0,0,0,0|1,0,1]=4 814 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [1,1,0,0,0,0|0,0,2]=4 815 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [1,1,0,0,0,0|1,0,1]=4 816 B8R0.29 CS(=O)(=O)C=CC(=O)O MCULE-9110705817 [1,1,0,0,0,0|1,0,1]=4 817 B8R0.18 CCC(C(=O)O)C(=O)O MCULE-3288957588 [0,1,0,0,1,0|0,0,1]=3 818 B8R0.18 O=C(O)C(=CBr)C(=O)O MCULE-6610352716 [0,1,0,0,1,0|0,0,1]=3 819 B8R0.27 CC(C(=O)O)P(=O)(O)O MCULE-8565461015 [0,1,0,0,1,0|1,0,1]=4 820 B8R0.37 CC(=O)C(C)(C)C(=O)O MCULE-5093326895 [0,1,0,0,1,0|1,0,1]=4 821 B8R0.37 CC(C)(C(=O)N)C(=O)O MCULE-2390691265 [0,1,0,0,1,0|1,0,1]=4 822 B8R0.37 CC(C)(C(=O)O)C(=O)O MCULE-7318511088 [0,1,0,0,1,0|0,0,1]=3 823 B8R0.37 O=C(O)C(F)(F)C(=O)O MCULE-4438516030 [0,1,0,0,1,0|1,0,1]=4 824 B8R0.37 O=C(O)C(O)(O)C(=O)O MCULE-1610310703 [0,1,0,0,1,0|1,0,1]=4 825 B10R0.13 CN(CC(=O)O)C(=O)C(=O)O MCULE-2539412176 [0,1,0,0,0,1|1,0,1]=4 826 B10R0.43 CC(C)(CCC(=O)O)C(=O)O MCULE-3722680536 [0,1,0,0,0,1|0,0,2]=4 827 B10R0.43 CC(C)(SCC(=O)O)C(=O)O MCULE-9761119610 [0,1,0,0,0,1|0,0,2]=4 828 B10R0.43 CC(N)(CCC(=O)O)C(=O)O MCULE-3734637690 [0,1,0,0,0,1|0,0,2]=4 829 B10R0.43 C[C@@](N)(CCC(=O)O)C(=O)O MCULE-5201150112 [0,1,0,0,0,1|0,0,2]=4 830 B10R0.57 COC(=O)C(=NNC(=O)N)C MCULE-7465883780 [0,1,0,0,0,1|2,0,0]=4 831 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-7159441787 [0,1,0,0,0,1|0,0,2]=4 832 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-9982940361 [0,1,0,0,0,1|0,0,2]=4 833 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-1322979818 [0,1,0,0,0,1|0,0,2]=4 834 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-9405643691 [0,1,0,0,0,1|0,0,2]=4 835 B10R0.84 CN[C@H](CCC(=O)O)C(=O)O MCULE-1735782000 [0,1,0,0,0,1|0,0,2]=4 836 B10R0.84 NN=C(CCC(=O)O)C(=O)O MCULE-4661582416 [0,1,0,0,0,1|1,0,1]=4 837 B10R0.93 CC(=CC(C)C(=O)O)C(=O)O MCULE-3307721023 [0,1,0,0,0,1|0,0,0]=2 838 B10R0.93 CC(CC(C)C(=O)O)C(=O)O MCULE-1153209267 [0,1,0,0,0,1|0,0,2]=4 839 B10R0.93 CC(CC(N)C(=O)O)C(=O)O MCULE-4117547649 [0,1,0,0,0,1|0,0,2]=4 840 B10R0.93 CC(N[C@@H](C)C(=O)O)C(=O)O MCULE-6318508526 [0,1,0,0,0,1|0,0,2]=4 841 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2754578678 [0,1,0,0,0,1|0,0,2]=4 842 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-7169309772 [0,1,0,0,0,1|0,0,2]=4 843 B10R0.31 NC(=CC(=O)O)CP(=O)(O)O MCULE-1305156195 [0,1,0,0,0,1|2,0,0]=4 844 B10R0.44 COC(=O)C=C(C)OC(=O)C MCULE-3027712346 [0,1,0,0,0,1|1,0,0]=3 845 B10R0.44 COC(=O)CC(C)CC(=O)O MCULE-2040975724 [0,1,0,0,0,1|0,0,2]=4 846 B10R0.44 COC(=O)CC(C)CC(=O)O MCULE-8664626816 [0,1,0,0,0,1|0,0,2]=4 847 B10R0.44 COC(=O)C[C@H](C)CC(=O)O MCULE-3674114279 [0,1,0,0,0,1|0,0,2]=4 848 B10R0.44 COC(=O)C[C@H](C)CC(=O)O MCULE-7834226828 [0,1,0,0,0,1|0,0,2]=4 849 B10R0.165 CC(C)(CC(=O)O)CC(=O)O MCULE-3688310273 [0,1,0,0,0,1|0,0,2]=4 850 B10R0.165 CC(O)(CC(=O)O)CC(=O)O MCULE-9846508304 [0,1,0,0,0,1|0,0,2]=4 851 B10R0.47 COC(=O)CC(C)(C)C(=O)O MCULE-4222068236 [0,2,0,0,0,0|0,0,2]=4 852 B10R0.47 COC(=O)NC(C)(C)C(=O)O MCULE-9719165017 [0,2,0,0,0,0|1,0,1]=4 853 B10R0.119 CC(CN)(CC(=O)O)C(=O)O MCULE-2103588985 [0,2,0,0,0,0|0,0,2]=4 854 B10R0.119 CC(CN)(CC(=O)O)C(=O)O MCULE-8467010129 [0,2,0,0,0,0|0,0,2]=4 855 B10R0.119 CCC(C)(CC(=O)O)C(=O)O MCULE-5857208842 [0,2,0,0,0,0|0,0,2]=4 856 B10R0.141 COC(=O)C(C)(C)CC(=O)O MCULE-6122847743 [0,2,0,0,0,0|0,0,2]=4 857 B10R0.32 CCOC(=O)/C(=C/N(=O)=O)/C MCULE-1538925974 [0,2,0,0,0,0|1,0,1]=4 858 B10R0.32 CCOC(=O)C(=C[N+](=O)[O-])C MCULE-4646122395 [0,2,0,0,0,0|1,0,1]=4 859 B10R0.32 CCOC(=O)N(C)CC(=O)O MCULE-9866294020 [0,2,0,0,0,0|1,0,1]=4 860 B10R0.32 COCC(=O)N(C)CC(=O)O MCULE-5380620856 [0,2,0,0,0,0|1,0,1]=4 861 B10R0.46 C=C(CC(=O)OC)C(=O)OC MCULE-1752583150 [0,2,0,0,0,0|0,0,2]=4 862 B10R0.46 COC(=O)/C=C(/C)\C(=O)OC MCULE-1591758127 [0,2,0,0,0,0|0,0,0]=2 863 B10R0.46 COC(=O)/C=C(\O)/C(=O)OC MCULE-1912208740 [0,2,0,0,0,0|1,0,0]=3 864 B10R0.46 COC(=O)C=C(C)C(=O)OC MCULE-4723888027 [0,2,0,0,0,0|0,0,0]=2 865 B10R0.46 COC(=O)C=C(Cl)C(=O)OC MCULE-8162900998 [0,2,0,0,0,0|1,0,0]=3 866 B10R0.46 COC(=O)C=C(I)C(=O)OC MCULE-3061787143 [0,2,0,0,0,0|1,0,0]=3 867 B10R0.46 COC(=O)C=C(N)C(=O)OC MCULE-2138750334 [0,2,0,0,0,0|1,0,0]=3 868 B10R0.46 COC(=O)C=C(O)C(=O)OC MCULE-1194583921 [0,2,0,0,0,0|1,0,0]=3 869 B10R0.46 COC(=O)CC(=O)C(=O)OC MCULE-3316439224 [0,2,0,0,0,0|1,0,1]=4 870 B10R0.46 COC(=O)CC(C)C(=O)OC MCULE-1613501642 [0,2,0,0,0,0|0,0,2]=4 871 B10R0.46 COC(=O)C[C@@H](C)C(=O)OC MCULE-3416186452 [0,2,0,0,0,0|0,0,2]=4 872 B10R0.46 COC(=O)C[C@@H](C)C(=O)OC MCULE-8307638859 [0,2,0,0,0,0|0,0,2]=4 873 B10R0.46 COC(=O)C[C@H](C)C(=O)OC MCULE-6913107439 [0,2,0,0,0,0|0,0,2]=4 874 B10R0.46 COC(=O)C[C@H](C)C(=O)OC MCULE-7249009101 [0,2,0,0,0,0|0,0,2]=4 875 B10R0.54 CN[C@@H](CC(=O)O)C(=O)OC MCULE-4180877161 [0,2,0,0,0,0|0,0,2]=4 876 B10R0.54 CN[C@@H](CC(=O)O)C(=O)OC MCULE-8047613409 [0,2,0,0,0,0|0,0,2]=4 877 B10R0.56 COC(=O)/C(=C(/Cl)\C(=O)N)/Cl MCULE-1914193539 [0,2,0,0,0,0|2,0,0]=4 878 B10R0.56 COC(=O)C(=C(Cl)C(=O)N)Cl MCULE-5942444870 [0,2,0,0,0,0|2,0,0]=4 879 B10R0.56 COC(=O)N(C)C(C)C(=O)O MCULE-4638063780 [0,2,0,0,0,0|1,0,1]=4 880 B10R0.56 COC(=O)N(C)[C@@H](C)C(=O)O MCULE-1516990203 [0,2,0,0,0,0|1,0,1]=4 881 B10R0.56 COC(=O)N(C)[C@@H](C)C(=O)O MCULE-7050195142 [0,2,0,0,0,0|1,0,1]=4 882 B10R0.56 COC(=O)N(C)[C@H](C)C(=O)O MCULE-3862916687 [0,2,0,0,0,0|1,0,1]=4 883 B10R0.23 CCC=C(CC(=O)O)C(=O)O MCULE-1387104032 [0,2,0,0,0,0|0,0,1]=3 884 B10R0.23 CCCC(CC(=O)O)C(=O)O MCULE-5222720019 [0,2,0,0,0,0|0,0,2]=4 885 B10R0.23 COCC(CC(=O)O)C(=O)O MCULE-7211279043 [0,2,0,0,0,0|0,0,2]=4 886 B10R0.162 CC(=C(CC(=O)O)C(=O)O)C MCULE-6667375823 [0,2,0,0,0,0|0,0,1]=3 887 B10R0.162 CC(=O)NC(=C(C)C)C(=O)O MCULE-8792339165 [0,2,0,0,0,0|2,0,0]=4 888 B10R0.162 CC(C)C(CC(=O)O)C(=O)O MCULE-8647740549 [0,2,0,0,0,0|0,0,2]=4 889 B10R0.162 CN(C)[C@@H](CC(=O)O)C(=O)O MCULE-5975487097 [0,2,0,0,0,0|0,0,2]=4 890 B10R0.162 CN(C)[C@H](CC(=O)O)C(=O)O MCULE-7438928757 [0,2,0,0,0,0|0,0,2]=4 891 B10R0.26 C=C(CC(=O)OCC)C(=O)O MCULE-4101935574 [0,2,0,0,0,0|0,0,2]=4 892 B10R0.26 CCOC(=O)NC(C)C(=O)O MCULE-2656045762 [0,2,0,0,0,0|1,0,1]=4 893 B10R0.26 CCOC(=O)N[C@@H](C)C(=O)O MCULE-7713689747 [0,2,0,0,0,0|1,0,1]=4 894 B10R0.26 COCC(=O)NC(C)C(=O)O MCULE-8358486718 [0,2,0,0,0,0|1,0,1]=4 895 B8R1.1 CC1=CC(=NO1)C=O MCULE-7191377585 [1,0,0,1,0,0|2,0,0]=4 896 B8R1.1 COC1=CC(=O)OC1 MCULE-9199919492 [1,0,0,1,0,0|2,0,0]=4 897 B8R1.1 O=C1C=C(CO1)CBr MCULE-1493137482 [1,0,0,1,0,0|1,0,1]=4 898 B8R1.1 O=C1C=C(CO1)CI MCULE-7834471824 [1,0,0,1,0,0|1,0,1]=4 899 B8R1.1 O=C1C=C(CO1)CO MCULE-9263407854 [1,0,0,1,0,0|0,0,1]=3 900 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [1,0,0,1,0,0|0,0,2]=4 901 B8R1.4 CC1=CC(=CC=C1)O MCULE-6836106503 [1,0,0,1,0,0|2,0,0]=4 902 B8R1.4 CC1=CC(=CN=C1)O MCULE-2235600900 [1,0,0,1,0,0|2,0,0]=4 903 B8R1.4 CC1=CC(=NC=C1)O MCULE-3234180258 [1,0,0,1,0,0|2,0,0]=4 904 B8R1.4 CC1=CC(=O)NN=C1 MCULE-4739919200 [1,0,0,1,0,0|2,0,0]=4 905 B8R1.4 CC1=CC(=O)NON1 MCULE-9289039883 [1,0,0,1,0,0|2,0,0]=4 906 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [1,0,0,1,0,0|1,0,1]=4 907 B8R1.4 CC1=CN=CC(=C1)O MCULE-2610585682 [1,0,0,1,0,0|2,0,0]=4 908 B8R1.4 O=C1C=C(C=CO1)Br MCULE-4630205017 [1,0,0,1,0,0|2,0,0]=4 909 B8R1.4 O=C1C=C(C=CO1)Cl MCULE-6319657516 [1,0,0,1,0,0|2,0,0]=4 910 B8R1.18 C=C1CC(=O)OC1=O MCULE-1819893564 [1,0,0,1,0,0|0,0,2]=4 911 B8R1.18 CC1=C(OC(=C1)Br)Br MCULE-8877945879 [1,0,0,1,0,0|2,0,0]=4 912 B8R1.18 CC1=C(OC(=O)N1)C MCULE-9563427028 [1,0,0,1,0,0|2,0,0]=4 913 B8R1.18 CC1=C(OC(=O)O1)C MCULE-2205012091 [1,0,0,1,0,0|2,0,0]=4 914 B8R1.18 CC1=CC(=C(O1)C)C MCULE-4079062433 [1,0,0,1,0,0|2,0,0]=4 915 B8R1.18 CC1=CC(=O)NC1=O MCULE-3109096484 [1,0,0,1,0,0|1,0,0]=3 916 B8R1.18 CC1=CC(=O)OC1=O MCULE-1735822163 [1,0,0,1,0,0|0,0,0]=2 917 B8R1.18 CC1=CC(=O)OC1O MCULE-2111708862 [1,0,0,1,0,0|0,0,1]=3 918 B8R1.18 CC1=CC(=O)O[C@@H]1O MCULE-3894053073 [1,0,0,1,0,0|0,0,1]=3 919 B8R1.18 CC1=CC(CC1=O)O MCULE-6348285774 [1,0,0,1,0,0|1,0,1]=4 920 B8R1.18 CC1=CC(OC1=O)Br MCULE-3845731354 [1,0,0,1,0,0|1,0,1]=4 921 B8R1.18 CC1=CC(OC1=O)Cl MCULE-5657964064 [1,0,0,1,0,0|1,0,1]=4 922 B8R1.18 CC1=CC(OC1=O)O MCULE-9085952542 [1,0,0,1,0,0|0,0,2]=4 923 B8R1.18 CC1=C[C@H](NC1=O)O MCULE-7726239614 [1,0,0,1,0,0|1,0,1]=4 924 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [1,0,0,1,0,0|0,0,2]=4 925 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [1,0,0,1,0,0|1,0,1]=4 926 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [1,0,0,1,0,0|1,0,1]=4 927 B8R1.18 CN1CC(=O)OC1=O MCULE-7537862268 [1,0,0,1,0,0|1,0,1]=4 928 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [1,0,0,1,0,0|1,0,1]=4 929 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [1,0,0,1,0,0|1,0,1]=4 930 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [1,0,0,1,0,0|0,0,2]=4 931 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [1,0,0,1,0,0|1,0,1]=4 932 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [1,0,0,1,0,0|1,0,1]=4 933 B8R1.18 O=C1C=C(C(=O)N1)Br MCULE-6173415556 [1,0,0,1,0,0|2,0,0]=4 934 B8R1.18 O=C1C=C(C(=O)O1)Br MCULE-2984870530 [1,0,0,1,0,0|1,0,0]=3 935 B8R1.18 O=C1C=C(C(O1)O)Cl MCULE-9764142144 [1,0,0,1,0,0|1,0,1]=4 936 B8R1.34 CC(=O)C=C1COC1 MCULE-2230856373 [1,0,0,1,0,0|1,0,1]=4 937 B8R1.34 O=C(O)C=C1CCC1 MCULE-7015909117 [1,0,0,1,0,0|1,0,1]=4 938 B8R1.5 CC1=C(C=CC=C1)O MCULE-4124485112 [1,0,0,1,0,0|2,0,0]=4 939 B8R1.5 CC1=C(C=NC=C1)O MCULE-4421180042 [1,0,0,1,0,0|2,0,0]=4 940 B8R1.5 CC1=CC=CNC1=O MCULE-8735614074 [1,0,0,1,0,0|2,0,0]=4 941 B8R1.5 CC1=CC=NNC1=O MCULE-4615705346 [1,0,0,1,0,0|2,0,0]=4 942 B8R1.5 O=C1C=COC=C1O MCULE-7801160559 [1,0,0,1,0,0|2,0,0]=4 943 B8R1.5 O=C1OC=CC=C1Br MCULE-5287176026 [1,0,0,1,0,0|2,0,0]=4 944 B8R1.5 O=C1OC=CC=C1O MCULE-9890470217 [1,0,0,1,0,0|2,0,0]=4 945 B8R1.7 CC(=O)C1=COC=C1 MCULE-5791648334 [1,0,0,1,0,0|1,0,1]=4 946 B8R1.7 CC(=O)C1=NOC=C1 MCULE-5515132953 [1,0,0,1,0,0|2,0,0]=4 947 B8R1.7 NC(=O)C1=COC=C1 MCULE-2350121576 [1,0,0,1,0,0|1,0,1]=4 948 B8R1.7 O=C(Cl)C1=COC=C1 MCULE-6792513805 [1,0,0,1,0,0|1,0,1]=4 949 B8R1.7 O=C(Cl)C1=NOC=C1 MCULE-4964682055 [1,0,0,1,0,0|2,0,0]=4 950 B8R1.7 O=C(O)C1=CC=CN1 MCULE-4915329170 [1,0,0,1,0,0|2,0,0]=4 951 B8R1.7 O=C(O)C1=CC=CO1 MCULE-5132845727 [1,0,0,1,0,0|2,0,0]=4 952 B8R1.7 O=C(O)C1=CC=CS1 MCULE-4461858345 [1,0,0,1,0,0|2,0,0]=4 953 B8R1.7 O=C(O)C1=CC=C[Se]1 MCULE-9543908979 [1,0,0,1,0,0|2,0,0]=4 954 B8R1.7 O=C(O)C1=CC=NO1 MCULE-4061809739 [1,0,0,1,0,0|2,0,0]=4 955 B8R1.7 O=C(O)C1=CC=NS1 MCULE-2138423832 [1,0,0,1,0,0|2,0,0]=4 956 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [1,0,0,1,0,0|1,0,1]=4 957 B8R1.7 O=C(O)C1=CCNC1 MCULE-2391284266 [1,0,0,1,0,0|1,0,1]=4 958 B8R1.7 O=C(O)C1=CCNC1 MCULE-5725335930 [1,0,0,1,0,0|1,0,1]=4 959 B8R1.7 O=C(O)C1=CCOC1 MCULE-3209603870 [1,0,0,1,0,0|0,0,1]=3 960 B8R1.7 O=C(O)C1=CCSC1 MCULE-3187835692 [1,0,0,1,0,0|0,1,1]=4 961 B8R1.7 O=C(O)C1=CNC=C1 MCULE-2877375791 [1,0,0,1,0,0|1,0,1]=4 962 B8R1.7 O=C(O)C1=COC=C1 MCULE-9346491380 [1,0,0,1,0,0|0,0,1]=3 963 B8R1.7 O=C(O)C1=COC=N1 MCULE-6388820863 [1,0,0,1,0,0|1,0,1]=4 964 B8R1.7 O=C(O)C1=COC=N1 MCULE-8404142877 [1,0,0,1,0,0|1,0,1]=4 965 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [1,0,0,1,0,0|2,0,0]=4 966 B8R1.7 O=C(O)C1=CON=C1 MCULE-7299487683 [1,0,0,1,0,0|1,0,1]=4 967 B8R1.7 O=C(O)C1=CSC=C1 MCULE-7934636767 [1,0,0,1,0,0|0,1,1]=4 968 B8R1.7 O=C(O)C1=NNC=C1 MCULE-5843831241 [1,0,0,1,0,0|2,0,0]=4 969 B8R1.7 O=C(O)C1=NOC=C1 MCULE-3455230166 [1,0,0,1,0,0|1,0,0]=3 970 B8R1.7 O=C(O)C1=NOC=N1 MCULE-6368000131 [1,0,0,1,0,0|2,0,0]=4 971 B8R1.7 O=C(O)C1=NON=C1 MCULE-3271564015 [1,0,0,1,0,0|2,0,0]=4 972 B8R1.7 O=C(O)C1=NSC=C1 MCULE-1466108511 [1,0,0,1,0,0|1,1,0]=4 973 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [1,0,0,1,0,0|1,0,1]=4 974 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [1,0,0,1,0,0|1,0,1]=4 975 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [1,0,0,1,0,0|0,0,2]=4 976 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [1,0,0,1,0,0|1,0,1]=4 977 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [1,0,0,1,0,0|1,0,1]=4 978 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [1,0,0,1,0,0|1,0,1]=4 979 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [1,0,0,1,0,0|1,0,1]=4 980 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [1,0,0,1,0,0|1,0,1]=4 981 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [1,0,0,1,0,0|1,0,1]=4 982 B8R1.54 CC(=C1CC1)C(=O)O MCULE-5864255450 [1,0,0,1,0,0|1,0,1]=4 983 B8R1.3 O=C1C=CC(=CO1)Br MCULE-6339514817 [1,0,0,1,0,0|2,0,0]=4 984 B8R1.3 O=C1C=CC(=O)C=C1 MCULE-2576853438 [1,0,0,1,0,0|2,0,0]=4 985 B8R1.3 O=C1C=CC(=O)N=N1 MCULE-5664955304 [1,0,0,1,0,0|2,0,0]=4 986 B8R1.3 O=C1C=CC(=O)NN1 MCULE-5100178532 [1,0,0,1,0,0|2,0,0]=4 987 B8R1.3 OC1=CC=C(C=C1)O MCULE-3953269041 [1,0,0,1,0,0|2,0,0]=4 988 B8R1.3 OC1=CC=C(N=C1)O MCULE-5547223106 [1,0,0,1,0,0|2,0,0]=4 989 B8R1.50 CC1=C(C(=NO1)O)C MCULE-4287762482 [0,0,0,1,1,0|2,0,0]=4 990 B8R1.50 CC1=C(CCC1=O)O MCULE-6367252690 [0,0,0,1,1,0|2,0,0]=4 991 B8R1.50 CC1=C(COC1=O)Br MCULE-6953448957 [0,0,0,1,1,0|2,0,0]=4 992 B8R1.50 CC1=C(COC1=O)O MCULE-4822806082 [0,0,0,1,1,0|1,0,0]=3 993 B8R1.50 CC1=C(OCC1=O)O MCULE-1835077768 [0,0,0,1,1,0|1,0,1]=4 994 B8R1.50 CC1=C(ON=C1O)N MCULE-1946893657 [0,0,0,1,1,0|2,0,0]=4 995 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [0,0,0,1,1,0|1,0,1]=4 996 B8R1.50 CN1C(=O)COC1=O MCULE-1190604947 [0,0,0,1,1,0|2,0,0]=4 997 B8R1.50 O=C1OCC(=C1Br)O MCULE-3463044896 [0,0,0,1,1,0|2,0,0]=4 998 B10R1.13 CC1=CCC(=CC1)C(=O)O MCULE-6201411165 [0,0,0,1,0,1|2,0,0]=4 999 B10R1.13 O=C(O)C1=CC=C(C=C1)O MCULE-1367764897 [0,0,0,1,0,1|1,0,1]=4 1000 B10R1.13 O=C(O)C1=CC=C(C=N1)O MCULE-4924797784 [0,0,0,1,0,1|1,0,1]=4 1001 B10R1.13 O=C(O)C1=CC=C(N=C1)O MCULE-8547168855 [0,0,0,1,0,1|1,0,1]=4 1002 B10R1.13 O=C(O)C1=CN=C(N=C1)O MCULE-1192882734 [0,0,0,1,0,1|1,0,1]=4 1003 B10R1.13 O=C(O)C1=NC=C(C=C1)O MCULE-4623282930 [0,0,0,1,0,1|1,0,1]=4 1004 B10R1.13 O=C(O)C1=NC=C(C=N1)O MCULE-3817942300 [0,0,0,1,0,1|2,0,0]=4 1005 B10R1.13 O=C(O)C1=NC=C(N=C1)O MCULE-1775479402 [0,0,0,1,0,1|1,0,1]=4 1006 B10R1.13 O=C(O)C1=NN=C(C=C1)O MCULE-1876021170 [0,0,0,1,0,1|2,0,0]=4 1007 B10R1.13 O=C1C=CC(=CO1)C(=O)Cl MCULE-7332573423 [0,0,0,1,0,1|1,0,1]=4 1008 B10R1.13 O=C1C=CC(=CO1)C(=O)O MCULE-9279858523 [0,0,0,1,0,1|0,0,1]=3 1009 B10R1.13 O=C1C=CC(=NN1)C(=O)O MCULE-4975386160 [0,0,0,1,0,1|2,0,0]=4 1010 B10R1.13 O=C1CC=C(N=N1)C(=O)O MCULE-8930674606 [0,0,0,1,0,1|2,0,0]=4 1011 B10R1.13 O=C1CCC(=NN1)C(=O)O MCULE-1818973372 [0,0,0,1,0,1|2,0,0]=4 1012 B10R1.58 CC(=O)C1=CC(=C(O1)C)C MCULE-9398749412 [0,0,0,1,0,1|2,0,0]=4 1013 B10R1.58 CC1=C(C=C(O1)C(=O)O)Br MCULE-8550498457 [0,0,0,1,0,1|2,0,0]=4 1014 B10R1.58 CC1=C(C=C(S1)C(=O)O)Br MCULE-7245688635 [0,0,0,1,0,1|2,0,0]=4 1015 B10R1.58 CC1=C(N=C(O1)C(=O)O)Br MCULE-1688005098 [0,0,0,1,0,1|2,0,0]=4 1016 B10R1.58 CC1=C(N=C(S1)C(=O)O)O MCULE-6548303130 [0,0,0,1,0,1|1,0,0]=3 1017 B10R1.58 CC1=C(NC(=C1)C(=O)O)C MCULE-6402473251 [0,0,0,1,0,1|2,0,0]=4 1018 B10R1.58 CC1=C(NC(=N1)C(=O)O)Br MCULE-5950087247 [0,0,0,1,0,1|2,0,0]=4 1019 B10R1.58 CC1=C(NC(=N1)C(=O)O)C MCULE-8200620877 [0,0,0,1,0,1|2,0,0]=4 1020 B10R1.58 CC1=C(OC(=C1)C(=O)O)Br MCULE-9822135066 [0,0,0,1,0,1|1,0,0]=3 1021 B10R1.58 CC1=C(OC(=C1)C(=O)O)C MCULE-8795474100 [0,0,0,1,0,1|1,0,0]=3 1022 B10R1.58 CC1=C(OC(=N1)C(=O)O)C MCULE-4014516445 [0,0,0,1,0,1|1,0,0]=3 1023 B10R1.58 CC1=C(SC(=C1)C(=O)O)Br MCULE-2869684384 [0,0,0,1,0,1|1,1,0]=4 1024 B10R1.58 CC1=C(SC(=C1)C(=O)O)C MCULE-4690373094 [0,0,0,1,0,1|1,1,0]=4 1025 B10R1.58 CC1=C(SC(=C1)C(=O)O)Cl MCULE-2702974307 [0,0,0,1,0,1|1,1,0]=4 1026 B10R1.58 CC1=C(SC(=N1)C(=O)O)Br MCULE-9522282497 [0,0,0,1,0,1|1,1,0]=4 1027 B10R1.58 CC1=C(SC(=N1)C(=O)O)C MCULE-7541880664 [0,0,0,1,0,1|1,1,0]=4 1028 B10R1.58 CN1C=C(NC1=O)C(=O)O MCULE-2401585728 [0,0,0,1,0,1|2,0,0]=4 1029 B10R1.58 CN1CC(OC1=O)C(=O)O MCULE-1158187923 [0,0,0,1,0,1|1,0,1]=4 1030 B10R1.58 CN1N=C(C=C1O)C(=O)O MCULE-7493978501 [0,0,0,1,0,1|2,0,0]=4 1031 B10R1.58 CN1N=C(CC1=O)C(=O)O MCULE-6407779407 [0,0,0,1,0,1|2,0,0]=4 1032 B10R1.58 CN1N=C(N=C1O)C(=O)O MCULE-5117908815 [0,0,0,1,0,1|2,0,0]=4 1033 B10R1.58 CN1OC(=CC1=O)C(=O)O MCULE-5351669299 [0,0,0,1,0,1|2,0,0]=4 1034 B10R1.58 O=C(O)C1=CC(=C(O1)Br)Br MCULE-1534979854 [0,0,0,1,0,1|2,0,0]=4 1035 B10R1.58 O=C(O)C1=CC(=C(O1)Cl)Br MCULE-3251378646 [0,0,0,1,0,1|2,0,0]=4 1036 B10R1.58 O=C(O)C1=CC(=C(O1)Cl)Cl MCULE-8551138910 [0,0,0,1,0,1|2,0,0]=4 1037 B10R1.58 O=C(O)C1=CC(=C(O1)I)Br MCULE-8437897767 [0,0,0,1,0,1|2,0,0]=4 1038 B10R1.58 O=C(O)C1=NC(=C(O1)Br)Br MCULE-2894729365 [0,0,0,1,0,1|2,0,0]=4 1039 B10R1.349 O=C(O)C1CC(C1)C(=O)O MCULE-7515334695 [0,0,0,1,0,1|0,0,2]=4 1040 B10R1.349 O=C(O)C1CC(N1)C(=O)O MCULE-2441047831 [0,0,0,1,0,1|0,0,2]=4 1041 B10R1.349 O=C(O)[C@H]1C[C@@H](C1)C(=O)O MCULE-7021077384 [0,0,0,1,0,1|0,0,2]=4 1042 B10R1.349 O=C(O)[C@H]1C[C@H](C1)C(=O)O MCULE-2423808428 [0,0,0,1,0,1|0,0,2]=4 1043 B10R1.359 O=C(O)C1=CCS(=O)(=O)C1 MCULE-9908630262 [0,0,0,1,0,1|1,0,1]=4 1044 B10R1.360 CC1(CC1C(=O)O)C(=O)O MCULE-1315514899 [0,0,0,1,0,1|0,0,2]=4 1045 B10R1.470 CC1(CCC(=O)O1)C(=O)O MCULE-2009596037 [0,0,0,1,0,1|0,0,2]=4 1046 B10R1.54 CC(=O)OC1=CC(=O)CC1 MCULE-2350469419 [0,0,0,1,0,1|2,0,0]=4 1047 B10R1.54 CC1=CC(=NO1)CC(=O)O MCULE-1349935417 [0,0,0,1,0,1|2,0,0]=4 1048 B10R1.54 NC(=O)NC1=CC(=O)OC1 MCULE-9915903766 [0,0,0,1,0,1|1,0,0]=3 1049 B10R1.54 O=C(O)C=C1NC(=O)CS1 MCULE-6076128846 [0,0,0,1,0,1|2,0,0]=4 1050 B10R1.54 O=C(O)CC1=CC(=O)NN1 MCULE-5112159197 [0,0,0,1,0,1|2,0,0]=4 1051 B10R1.54 O=C(O)CC1=NOC(=C1)O MCULE-4414347304 [0,0,0,1,0,1|1,0,1]=4 1052 B10R1.54 O=C(O)CC1COC(=O)C1 MCULE-9024324984 [0,0,0,1,0,1|0,0,2]=4 1053 B10R1.54 O=C(O)C[C@H]1COC(=O)N1 MCULE-1807368276 [0,0,0,1,0,1|0,0,2]=4 1054 B10R1.59 CC(=O)C1=C(C=C(O1)C)C MCULE-3602976725 [0,0,0,1,0,1|2,0,0]=4 1055 B10R1.59 CC(=O)C1=C(N=C(O1)C)C MCULE-8423415851 [0,0,0,1,0,1|2,0,0]=4 1056 B10R1.59 CC(=O)C1=C(NC(=O)N1)C MCULE-7841084710 [0,0,0,1,0,1|2,0,0]=4 1057 B10R1.59 CC(=O)C1=C(NC(=O)S1)C MCULE-7080210340 [0,0,0,1,0,1|1,1,0]=4 1058 B10R1.59 CC1=C(C=C(O1)Br)C(=O)O MCULE-9399804066 [0,0,0,1,0,1|2,0,0]=4 1059 B10R1.59 CC1=C(C=C(S1)Br)C(=O)O MCULE-3979333205 [0,0,0,1,0,1|2,0,0]=4 1060 B10R1.59 CC1=C(N=C(O1)Br)C(=O)O MCULE-5343700386 [0,0,0,1,0,1|2,0,0]=4 1061 B10R1.59 CC1=C(N=C(O1)Cl)C(=O)O MCULE-1030963174 [0,0,0,1,0,1|2,0,0]=4 1062 B10R1.59 CC1=C(N=C(S1)Br)C(=O)O MCULE-6327614452 [0,0,0,1,0,1|2,0,0]=4 1063 B10R1.59 CC1=C(N=C(S1)Cl)C(=O)O MCULE-6316524353 [0,0,0,1,0,1|2,0,0]=4 1064 B10R1.59 CC1=C(N=C(S1)N)C(=O)O MCULE-8595039377 [0,0,0,1,0,1|2,0,0]=4 1065 B10R1.59 CC1=C(N=C(S1)O)C(=O)O MCULE-2113483931 [0,0,0,1,0,1|1,0,0]=3 1066 B10R1.59 CC1=C(NC(=N1)Br)C(=O)O MCULE-3307589222 [0,0,0,1,0,1|2,0,0]=4 1067 B10R1.59 CC1=C(NC(=O)N1)C(=O)O MCULE-4489172846 [0,0,0,1,0,1|1,0,0]=3 1068 B10R1.59 CC1=C(NC(=O)O1)C(=O)O MCULE-3936623227 [0,0,0,1,0,1|1,0,0]=3 1069 B10R1.59 CC1=C(OC(=C1)Br)C(=O)O MCULE-4836489792 [0,0,0,1,0,1|1,0,0]=3 1070 B10R1.59 CC1=C(OC(=N1)Br)C(=O)O MCULE-6398954981 [0,0,0,1,0,1|1,0,0]=3 1071 B10R1.59 CC1=C(OC(=N1)I)C(=O)O MCULE-5497790148 [0,0,0,1,0,1|1,0,0]=3 1072 B10R1.59 CC1=C(SC(=C1)Br)C(=O)O MCULE-6348068777 [0,0,0,1,0,1|1,1,0]=4 1073 B10R1.59 CC1=C(SC(=N1)Br)C(=O)O MCULE-3932114661 [0,0,0,1,0,1|1,1,0]=4 1074 B10R1.59 CC1=C(SC(=N1)Cl)C(=O)O MCULE-4549195978 [0,0,0,1,0,1|1,1,0]=4 1075 B10R1.59 CC1=C(SC(=N1)I)C(=O)O MCULE-3820471269 [0,0,0,1,0,1|1,1,0]=4 1076 B10R1.59 CC1=C(SC(=N1)N)C(=O)O MCULE-3025372140 [0,0,0,1,0,1|1,1,0]=4 1077 B10R1.59 CC1=C(SC(=O)N1)C(=O)O MCULE-8001416115 [0,0,0,1,0,1|0,1,0]=3 1078 B10R1.59 CC1=C(SC(=S)N1)C(=O)O MCULE-6074061234 [0,0,0,1,0,1|0,2,0]=4 1079 B10R1.59 CC1=CC(=C(N1)C(=O)O)C MCULE-2081653650 [0,0,0,1,0,1|2,0,0]=4 1080 B10R1.59 CC1=CC(=C(N1)C)C(=O)O MCULE-8264342260 [0,0,0,1,0,1|2,0,0]=4 1081 B10R1.59 CC1=CC(=C(O1)C(=O)O)C MCULE-4457790424 [0,0,0,1,0,1|1,0,0]=3 1082 B10R1.59 CC1=CC(=C(O1)C)C(=O)O MCULE-6083512637 [0,0,0,1,0,1|2,0,0]=4 1083 B10R1.59 CC1=CC(=C(S1)C(=O)O)C MCULE-5372307729 [0,0,0,1,0,1|1,1,0]=4 1084 B10R1.59 CC1=CC(=C(S1)C)C(=O)O MCULE-1096301669 [0,0,0,1,0,1|2,0,0]=4 1085 B10R1.59 CC1=CC(=C([Se]1)C)C(=O)O MCULE-9043801301 [0,0,0,1,0,1|2,0,0]=4 1086 B10R1.59 CC1=NC(=C(N1)C)C(=O)O MCULE-2410908385 [0,0,0,1,0,1|2,0,0]=4 1087 B10R1.59 CC1=NC(=C(N1)C)C(=O)O MCULE-5000904113 [0,0,0,1,0,1|2,0,0]=4 1088 B10R1.59 CC1=NC(=C(O1)C(=O)O)C MCULE-6966085063 [0,0,0,1,0,1|1,0,0]=3 1089 B10R1.59 CC1=NC(=C(O1)C)C(=O)O MCULE-7765149248 [0,0,0,1,0,1|2,0,0]=4 1090 B10R1.59 CC1=NC(=C(S1)C(=O)O)C MCULE-6275034447 [0,0,0,1,0,1|1,1,0]=4 1091 B10R1.59 CC1=NC(=C(S1)C)C(=O)O MCULE-3752489731 [0,0,0,1,0,1|2,0,0]=4 1092 B10R1.59 CC1=NC(=C(S1)C)C(=O)O MCULE-8436904072 [0,0,0,1,0,1|2,0,0]=4 1093 B10R1.59 CN1N=C(C=C1C(=O)O)O MCULE-4041256083 [0,0,0,1,0,1|2,0,0]=4 1094 B10R1.59 CN1OC(=O)C=C1C(=O)O MCULE-7737825267 [0,0,0,1,0,1|2,0,0]=4 1095 B10R1.59 O=C(O)C1=C(C=C(O1)Br)Br MCULE-7676030653 [0,0,0,1,0,1|2,0,0]=4 1096 B10R1.282 C=C1C(C1C(=O)O)C(=O)O MCULE-8215023904 [0,0,0,1,0,1|0,0,2]=4 1097 B10R1.282 C=C1[C@@H]([C@H]1C(=O)O)C(=O)O MCULE-9621561536 [0,0,0,1,0,1|0,0,2]=4 1098 B10R1.282 C=C1[C@H]([C@@H]1C(=O)O)C(=O)O MCULE-3101001045 [0,0,0,1,0,1|0,0,2]=4 1099 B10R1.282 CC1C(C1C(=O)O)C(=O)O MCULE-6282240195 [0,0,0,1,0,1|0,0,2]=4 1100 B10R1.442 O=C(O)CC1(CC1)C(=O)O MCULE-5389842845 [0,1,0,1,0,0|0,0,2]=4 1101 B10R1.14 COC(=O)C1=CC(=CS1)O MCULE-9497229188 [0,1,0,1,0,0|2,0,0]=4 1102 B10R1.14 COC(=O)C1=CC(=NN1)O MCULE-2462260822 [0,1,0,1,0,0|2,0,0]=4 1103 B10R1.14 COC(=O)C1=CC(=NO1)O MCULE-3204071858 [0,1,0,1,0,0|2,0,0]=4 1104 B10R1.14 COC(=O)C1=CC(=O)CC1 MCULE-9756040651 [0,1,0,1,0,0|1,0,0]=3 1105 B10R1.14 COC(=O)C1=COC(=C1)Br MCULE-5431878034 [0,1,0,1,0,0|1,0,1]=4 1106 B10R1.14 COC(=O)C1=COC(=C1)C MCULE-1684701176 [0,1,0,1,0,0|1,0,1]=4 1107 B10R1.14 COC(=O)C1=NOC(=C1)C MCULE-2458311477 [0,1,0,1,0,0|2,0,0]=4 1108 B10R1.14 COC(=O)C1=NOC(=C1)I MCULE-5465587483 [0,1,0,1,0,0|2,0,0]=4 1109 B10R1.14 COC(=O)C1=NOC(=C1)N MCULE-8038316510 [0,1,0,1,0,0|2,0,0]=4 1110 B10R1.14 COC(=O)C1COC(=O)N1 MCULE-5827623021 [0,1,0,1,0,0|1,0,1]=4 1111 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 MCULE-6173112740 [0,1,0,1,0,0|1,0,1]=4 1112 B10R1.14 COC(=O)[C@H]1COC(=O)N1 MCULE-1359293106 [0,1,0,1,0,0|1,0,1]=4 1113 B10R1.14 COC(=O)[C@H]1COC(=O)N1 MCULE-8105273052 [0,1,0,1,0,0|1,0,1]=4 1114 B10R1.14 [C@H]1(COC(=O)N1)C(=O)OC MCULE-6209661780 [0,1,0,1,0,0|1,0,1]=4 1115 B10R1.22 CC1=C(C(=CC(=C1)O)Br)O MCULE-3176500689 [0,1,0,1,0,0|2,0,0]=4 1116 B10R1.22 CC1=C(C(=CC(=C1)O)O)C MCULE-9067040818 [0,1,0,1,0,0|2,0,0]=4 1117 B10R1.22 CC1=C(C(=CC(=C1)O)O)Cl MCULE-1596418454 [0,1,0,1,0,0|2,0,0]=4 1118 B10R1.22 CC1=C(C(=NC(=C1)O)O)C MCULE-9646306084 [0,1,0,1,0,0|2,0,0]=4 1119 B10R1.22 CC1=C(C(=O)NC(=O)N1)O MCULE-7766529114 [0,1,0,1,0,0|2,0,0]=4 1120 B10R1.22 CC1=CC(=CC(=C1Br)O)O MCULE-4087683428 [0,1,0,1,0,0|2,0,0]=4 1121 B10R1.22 CC1=CC(=CC(=C1O)C)O MCULE-9737295425 [0,1,0,1,0,0|2,0,0]=4 1122 B10R1.22 CC1=CC(=O)C=C(C1=O)C MCULE-4487129132 [0,1,0,1,0,0|2,0,0]=4 1123 B10R1.22 CC1=CC(=O)C=C(C1=O)Cl MCULE-6754827113 [0,1,0,1,0,0|2,0,0]=4 1124 B10R1.25 CC1=C(C=CC(=C1)O)C=O MCULE-4060559854 [0,1,0,1,0,0|2,0,0]=4 1125 B10R1.25 CC1=C(C=NC(=C1)O)C=O MCULE-7596515860 [0,1,0,1,0,0|2,0,0]=4 1126 B10R1.25 CC1=CC(=CC=C1CO)O MCULE-2886194385 [0,1,0,1,0,0|2,0,0]=4 1127 B10R1.25 CC1=CC(=CC=C1N=O)O MCULE-3218394942 [0,1,0,1,0,0|2,0,0]=4 1128 B10R1.25 CC1=CC(=O)C=CC1=NO MCULE-1412614892 [0,1,0,1,0,0|2,0,0]=4 1129 B10R1.25 COC1=C(C=C(C=C1)O)C MCULE-7939691963 [0,1,0,1,0,0|2,0,0]=4 1130 B10R1.25 COC1=NC=C(C=C1C)O MCULE-2169010986 [0,1,0,1,0,0|2,0,0]=4 1131 B10R1.64 O=C(O)C=C1CCCC1=O MCULE-4459153895 [0,1,0,1,0,0|1,0,0]=3 1132 B10R1.64 O=C(O)CN1CCOC1=O MCULE-4152481351 [0,1,0,1,0,0|1,0,1]=4 1133 B10R1.194 C=C1C(=O)OC=C1C(=O)O MCULE-2170452031 [0,1,0,1,0,0|0,0,1]=3 1134 B10R1.194 CC(=O)C1COC(=O)C1=O MCULE-4315376279 [0,1,0,1,0,0|1,0,1]=4 1135 B10R1.194 CC1=C(C(=CS1)C(=O)O)C MCULE-5616649297 [0,1,0,1,0,0|1,1,0]=4 1136 B10R1.194 CC1=C(C(=NN1)C(=O)O)C MCULE-3611962040 [0,1,0,1,0,0|2,0,0]=4 1137 B10R1.194 CC1=C(C(=NO1)C(=O)O)Br MCULE-9853670746 [0,1,0,1,0,0|2,0,0]=4 1138 B10R1.194 CC1=C(C(=NO1)C(=O)O)C MCULE-7172345245 [0,1,0,1,0,0|1,0,0]=3 1139 B10R1.194 CC1=C(C(=NO1)C(=O)O)I MCULE-7361070967 [0,1,0,1,0,0|2,0,0]=4 1140 B10R1.194 CC1=C(NC=C1Br)C(=O)O MCULE-3685616019 [0,1,0,1,0,0|2,0,0]=4 1141 B10R1.194 CC1=C(NN=C1C(=O)O)Br MCULE-4548617590 [0,1,0,1,0,0|2,0,0]=4 1142 B10R1.194 CC1=C(NNC1=O)C(=O)O MCULE-2982850514 [0,1,0,1,0,0|1,0,0]=3 1143 B10R1.194 CC1=C(ON=C1C(=O)O)Cl MCULE-4073029246 [0,1,0,1,0,0|1,0,0]=3 1144 B10R1.194 CC1=C(SC=C1Br)C(=O)O MCULE-7583304803 [0,1,0,1,0,0|1,1,0]=4 1145 B10R1.194 CC1=C(SC=C1C(=O)O)Br MCULE-1958566161 [0,1,0,1,0,0|1,1,0]=4 1146 B10R1.194 CC1=CNC(=C1C)C(=O)O MCULE-4236298164 [0,1,0,1,0,0|2,0,0]=4 1147 B10R1.194 CC1=COC(=C1C)C(=O)O MCULE-9582033421 [0,1,0,1,0,0|1,0,0]=3 1148 B10R1.194 CC1=CSC(=C1C)C(=O)O MCULE-8433022256 [0,1,0,1,0,0|1,1,0]=4 1149 B10R1.194 CC1=NOC(=C1Br)C(=O)O MCULE-8196267325 [0,1,0,1,0,0|2,0,0]=4 1150 B10R1.194 CC1=NOC(=C1C)C(=O)O MCULE-3262584949 [0,1,0,1,0,0|1,0,0]=3 1151 B10R1.194 CC1=NOC(=C1Cl)C(=O)O MCULE-6918971398 [0,1,0,1,0,0|2,0,0]=4 1152 B10R1.194 CC1=NOC(=C1N)C(=O)O MCULE-1575869220 [0,1,0,1,0,0|2,0,0]=4 1153 B10R1.194 CC1=[N+](ON=C1C(=O)O)[O-] MCULE-2847748527 [0,1,0,1,0,0|1,0,1]=4 1154 B10R1.194 CC1C(=O)OCC1C(=O)O MCULE-8491867617 [0,1,0,1,0,0|0,0,2]=4 1155 B10R1.194 CN1C(=O)NC=C1C(=O)O MCULE-5867936313 [0,1,0,1,0,0|2,0,0]=4 1156 B10R1.194 CN1C(=O)OCC1C(=O)O MCULE-8242069751 [0,1,0,1,0,0|1,0,1]=4 1157 B10R1.194 O=C(O)C1=C(C(=CO1)Br)Br MCULE-7179541820 [0,1,0,1,0,0|2,0,0]=4 1158 B10R1.194 O=C(O)C1=C(C(=NS1)O)Cl MCULE-1577231541 [0,1,0,1,0,0|1,1,0]=4 1159 B10R1.271 CC1=C(C(OC1=O)(C)O)C MCULE-1508842425 [0,1,0,1,0,0|1,0,1]=4 1160 B10R1.408 COC(=O)C1CC1C(=O)O MCULE-7866234212 [0,1,0,1,0,0|0,0,2]=4 1161 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O MCULE-3699835184 [0,1,0,1,0,0|0,0,2]=4 1162 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O MCULE-8154738068 [0,1,0,1,0,0|0,0,2]=4 1163 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O MCULE-5512209759 [0,1,0,1,0,0|0,0,2]=4 1164 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O MCULE-9728286418 [0,1,0,1,0,0|0,0,2]=4 1165 B10R1.408 COC(=O)[C@H]1C[C@@H]1C(=O)O MCULE-2394122729 [0,1,0,1,0,0|0,0,2]=4 1166 B10R1.408 COC(=O)[C@H]1C[C@H]1C(=O)O MCULE-9017164187 [0,1,0,1,0,0|0,0,2]=4 1167 B10R1.408 [C@H]1(C[C@H]1C(=O)OC)C(=O)O MCULE-5989838336 [0,1,0,1,0,0|0,0,2]=4 1168 B10R1.30 CCC1=C(C=CC(=C1)O)O MCULE-9925250916 [0,1,0,1,0,0|2,0,0]=4 1169 B10R1.30 CNC1=C(C=CC(=C1)O)O MCULE-1133824921 [0,1,0,1,0,0|2,0,0]=4 1170 B10R1.30 CNC1=C(C=CC(=C1)O)O MCULE-9303353811 [0,1,0,1,0,0|2,0,0]=4 1171 B10R1.30 COC1=C(C=CC(=C1)O)O MCULE-9446128946 [0,1,0,1,0,0|2,0,0]=4 1172 B10R1.30 COC1=CC(=O)C=CC1=O MCULE-3004482786 [0,1,0,1,0,0|2,0,0]=4 1173 B10R1.30 COC1=CC(=O)OCC1O MCULE-3942463781 [0,1,0,1,0,0|1,0,1]=4 1174 B10R1.30 NCC1=CC(=CC=C1O)O MCULE-1997151177 [0,1,0,1,0,0|2,0,0]=4 1175 B10R1.30 NCC1=CC(=CC=C1O)O MCULE-6123839541 [0,1,0,1,0,0|2,0,0]=4 1176 B10R1.30 NCC1=CC(=CC=C1O)O MCULE-6878472569 [0,1,0,1,0,0|2,0,0]=4 1177 B10R1.30 O=C1C=CC(=O)C(=C1)CO MCULE-6498515132 [0,1,0,1,0,0|2,0,0]=4 1178 B10R1.30 OC1=CC(=C(C=C1)O)CS MCULE-5678984103 [0,1,0,1,0,0|2,0,0]=4 1179 B10R1.30 OCC1=C(C=CC(=C1)O)O MCULE-7932990632 [0,1,0,1,0,0|2,0,0]=4 1180 B10R1.113 O=C(O)C1=CC(=CC=C1)O MCULE-3607182166 [0,1,0,1,0,0|1,0,1]=4 1181 B10R1.113 O=C(O)C1=CC(=NC=N1)O MCULE-6681794599 [0,1,0,1,0,0|1,0,1]=4 1182 B10R1.113 O=C(O)C1=CC(CCC1)O MCULE-3053514968 [0,1,0,1,0,0|1,0,1]=4 1183 B10R1.113 O=C(O)C1=CN=CC(=C1)O MCULE-4896018532 [0,1,0,1,0,0|1,0,1]=4 1184 B10R1.113 O=C(O)C1=CS(=O)CCC1 MCULE-4974730957 [0,1,0,1,0,0|2,0,0]=4 1185 B10R1.113 O=C(O)C1=NC=CC(=C1)O MCULE-2705303745 [0,1,0,1,0,0|1,0,1]=4 1186 B10R1.113 O=C(O)C1=NC=CC(=C1)O MCULE-7268708037 [0,1,0,1,0,0|1,0,1]=4 1187 B10R1.113 O=C1C=C(C=CN1)C(=O)O MCULE-8873155750 [0,1,0,1,0,0|1,0,1]=4 1188 B10R1.113 O=C1C=C(C=NN1)C(=O)O MCULE-3854450321 [0,1,0,1,0,0|1,0,1]=4 1189 B10R1.113 O=C1C=C(CCC1)C(=O)O MCULE-6477437107 [0,1,0,1,0,0|1,0,0]=3 1190 B10R1.113 O=C1C=COC(=C1)C(=O)O MCULE-3051094771 [0,1,0,1,0,0|1,0,1]=4 1191 B10R1.113 O=C1NC(CCO1)C(=O)O MCULE-4281750243 [0,1,0,1,0,0|1,0,1]=4 1192 B10R1.113 O=C1N[C@@H](CCO1)C(=O)O MCULE-7121690603 [0,1,0,1,0,0|1,0,1]=4 1193 B10R1.361 O=C(O)C1CCC1C(=O)O MCULE-6136792366 [0,1,0,1,0,0|0,0,2]=4 1194 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-2743190923 [0,1,0,1,0,0|0,0,2]=4 1195 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-6841335407 [0,1,0,1,0,0|0,0,2]=4 1196 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-3432000151 [0,1,0,1,0,0|0,0,2]=4 1197 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-6937334278 [0,1,0,1,0,0|0,0,2]=4 1198 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O MCULE-8609403409 [0,1,0,1,0,0|0,0,2]=4 1199 B10R1.361 [C@@H]1(CC[C@@H]1C(=O)O)C(=O)O MCULE-4637916300 [0,1,0,1,0,0|0,0,2]=4 1200 B10R1.31 CCC1=CC(=NO1)C(=O)O MCULE-8990783503 [0,1,0,1,0,0|2,0,0]=4 1201 B10R1.31 COC1=CC(=NN1)C(=O)O MCULE-3382908600 [0,1,0,1,0,0|2,0,0]=4 1202 B10R1.31 COC1=CC(=NO1)C(=O)O MCULE-4551012626 [0,1,0,1,0,0|1,0,1]=4 1203 B10R1.31 COC1=CNC(=C1)C(=O)O MCULE-9615794664 [0,1,0,1,0,0|2,0,0]=4 1204 B10R1.31 COC1=CSC(=C1)C(=O)O MCULE-5850302213 [0,1,0,1,0,0|2,0,0]=4 1205 B10R1.31 COC1=NOC(=C1)C(=O)O MCULE-1544396702 [0,1,0,1,0,0|2,0,0]=4 1206 B10R1.31 COC1=NSC(=C1)C(=O)O MCULE-8714020849 [0,1,0,1,0,0|2,0,0]=4 1207 B10R1.31 CSC1=CC(=CO1)C(=O)O MCULE-7287309057 [0,1,0,1,0,0|0,1,1]=4 1208 B10R1.31 N#CC1=CC(=CO1)C(=O)O MCULE-3951716463 [0,1,0,1,0,0|1,0,1]=4 1209 B10R1.31 N#CC1=CC(=NO1)C(=O)O MCULE-6177902042 [0,1,0,1,0,0|2,0,0]=4 1210 B10R1.31 NCC1=CC(=CO1)C(=O)O MCULE-8009916414 [0,1,0,1,0,0|1,0,1]=4 1211 B10R1.31 NCC1=CC(=CO1)C(=O)O MCULE-8081573675 [0,1,0,1,0,0|1,0,1]=4 1212 B10R1.31 O=C(O)C1=CC(=CO1)CO MCULE-5232087951 [0,1,0,1,0,0|2,0,0]=4 1213 B10R1.31 O=C(O)C1=CC(=CS1)CO MCULE-7875031055 [0,1,0,1,0,0|2,0,0]=4 1214 B10R1.31 O=C(O)C1=CC(=NN1)CO MCULE-3574728390 [0,1,0,1,0,0|2,0,0]=4 1215 B10R1.31 O=C(O)C1=COC(=C1)CO MCULE-1954413493 [0,1,0,1,0,0|0,0,2]=4 1216 B10R1.31 O=C(O)C1=NOC(=C1)CF MCULE-4318751220 [0,1,0,1,0,0|2,0,0]=4 1217 B10R1.31 O=C(O)C1=NOC(=C1)CO MCULE-9585590711 [0,1,0,1,0,0|1,0,1]=4 1218 B10R1.31 O=CC1=CC(=CO1)C(=O)O MCULE-6941989821 [0,1,0,1,0,0|0,0,1]=3 1219 B10R1.31 O=CC1=CC(=CS1)C(=O)O MCULE-9793010071 [0,1,0,1,0,0|0,1,1]=4 1220 B10R1.31 O=CC1=CNC(=C1)C(=O)O MCULE-5432793271 [0,1,0,1,0,0|2,0,0]=4 1221 B10R1.31 O=CC1=COC(=C1)C(=O)O MCULE-1237690666 [0,1,0,1,0,0|2,0,0]=4 1222 B10R1.31 O=CC1=CSC(=C1)C(=O)O MCULE-2054953003 [0,1,0,1,0,0|2,0,0]=4 1223 B10R1.118 CC1=C(C=C(C(=C1)O)Br)O MCULE-2201678007 [0,1,0,1,0,0|2,0,0]=4 1224 B10R1.118 CC1=C(C=C(C(=C1)O)Cl)O MCULE-8410890415 [0,1,0,1,0,0|2,0,0]=4 1225 B10R1.118 CC1=CC(=C(C=C1O)C)O MCULE-7933058051 [0,1,0,1,0,0|2,0,0]=4 1226 B10R1.118 CC1=CC(=O)C(=CC1=O)Br MCULE-1112024207 [0,1,0,1,0,0|2,0,0]=4 1227 B10R1.118 CC1=CC(=O)C(=CC1=O)C MCULE-3530749400 [0,1,0,1,0,0|2,0,0]=4 1228 B10R1.118 CC1=CC(=O)C(=CC1=O)Cl MCULE-8350183505 [0,1,0,1,0,0|2,0,0]=4 1229 B10R1.118 O=C1C=C(C(=O)C=C1O)O MCULE-5020153139 [0,1,0,1,0,0|2,0,0]=4 1230 B10R1.176 CC1=CC(=CC=C1O)C=O MCULE-6811938154 [0,1,0,1,0,0|2,0,0]=4 1231 B10R1.176 CC1=CC(=CC=C1O)CO MCULE-3684364516 [0,1,0,1,0,0|2,0,0]=4 1232 B10R1.176 CC1=CC(=CC=C1O)N=O MCULE-7730584725 [0,1,0,1,0,0|2,0,0]=4 1233 B10R1.176 CC1=CC(=CN=C1O)C=O MCULE-7168800316 [0,1,0,1,0,0|2,0,0]=4 1234 B10R1.176 COC1=CC(=C(C=C1)O)C MCULE-3838803871 [0,1,0,1,0,0|2,0,0]=4 1235 B10R1.176 COC1=CC(=C(C=N1)O)C MCULE-8104471467 [0,1,0,1,0,0|2,0,0]=4 1236 B10R1.176 O=CC1=CC(=O)C(=CO1)O MCULE-5802100251 [0,1,0,1,0,0|2,0,0]=4 1237 B10R1.244 CC1=CC(OC1=O)(O)CCl MCULE-9045748401 [0,1,0,1,0,0|1,0,1]=4 1238 B10R1.119 CC1=C(C(=CC=C1O)O)C MCULE-5279010237 [0,1,0,1,0,0|2,0,0]=4 1239 B10R1.119 CC1=C(C(=O)C=CC1=O)C MCULE-7669056375 [0,1,0,1,0,0|2,0,0]=4 1240 B10R1.119 CC1=C(C(=O)NNC1=O)C MCULE-5940652133 [0,1,0,1,0,0|2,0,0]=4 1241 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [1,0,0,0,0,1|1,0,0]=3 1242 B8R0.28 N=C(N)S/C=C\C(=O)O MCULE-1708035663 [1,0,0,0,0,1|2,0,0]=4 1243 B8R0.28 N=C(N)S/C=C\C(=O)O MCULE-2482978602 [1,0,0,0,0,1|2,0,0]=4 1244 B8R0.28 N=C(N)SC=CC(=O)O MCULE-5337300674 [1,0,0,0,0,1|2,0,0]=4 1245 B8R0.28 N=C(N)SC=CC(=O)O MCULE-6588794853 [1,0,0,0,0,1|2,0,0]=4 1246 B8R0.28 NC(=O)NC=CC(=O)O MCULE-5004188805 [1,0,0,0,0,1|1,0,0]=3 1247 B8R0.28 NC(=O)NN=CC(=O)O MCULE-1954165276 [1,0,0,0,0,1|2,0,0]=4 1248 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [1,0,0,0,0,1|0,0,0]=2 1249 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [1,0,0,0,0,1|0,0,0]=2 1250 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [1,0,0,0,0,1|0,0,2]=4 1251 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [1,0,0,0,0,1|0,0,2]=4 1252 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [1,0,0,0,0,1|0,0,2]=4 1253 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [1,0,0,0,0,1|0,0,2]=4 1254 B10R0.96 C(=CC(=O)NC(=O)N)C(=O)O MCULE-4345604400 [0,0,0,0,0,2|2,0,0]=4 1255 B10R0.96 C(=C\C(=O)NC(=O)N)\C(=O)O MCULE-8812884630 [0,0,0,0,0,2|2,0,0]=4 1256 B10R0.96 CC(CCC(=O)O)CC(=O)O MCULE-7386549049 [0,0,0,0,0,2|0,0,2]=4 1257 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-1721699813 [0,0,0,0,0,2|0,0,2]=4 1258 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-7525360323 [0,0,0,0,0,2|0,0,2]=4 1259 B10R0.98 O=C(O)CCCC(=O)C(=O)O MCULE-5978557881 [0,0,0,0,0,2|1,0,1]=4 1260 B10R0.98 O=C(O)CONC(=O)C(=O)O MCULE-7932028761 [0,0,0,0,0,2|1,0,1]=4