0 B9R0.58 C=C(C)CC(C)(C)CCC MCULE-6567193721 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.58 C=CCC(C)(C)CC(=O)O MCULE-3859494910 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.58 CC(C)(CC(=O)O)N=N#N MCULE-9681055092 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.58 CC(O)(CCO)CC(=O)O MCULE-1728546222 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.58 CC(O)(CCO)CC(=O)[O-] MCULE-2842724264 [0,0,0,0,0,0|0,0,1]=1 5 B9R0.58 CCCC(C)(C)CC(=O)O MCULE-3472003458 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.58 CCCC(C)(O)CC(=O)O MCULE-7082436494 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.58 CCCS(=O)(=O)CC(=O)O MCULE-2673302591 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.58 CNCC(C)(C)CC(=O)O MCULE-9673126610 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.58 COCC(C)(C)CC(=O)O MCULE-3020905492 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.58 C[C@](O)(CCO)CC(=O)O MCULE-1986337120 [0,0,0,0,0,0|0,0,0]=0 11 B9R0.58 C[C@](O)(CCO)CC(=O)O MCULE-8476600793 [0,0,0,0,0,0|0,0,0]=0 12 B9R0.58 O=C(O)CS(=O)(=O)CCO MCULE-3180738518 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [1,0,0,0,0,0|1,0,2]=4 24 B8R0.5 C=C(C)CC(C)CCC MCULE-7442491404 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [1,0,0,0,0,0|1,0,2]=4 26 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.5 CC(=O)CN(C)CCO MCULE-4972701308 [1,0,0,0,0,0|2,0,0]=3 39 B8R0.5 CC(C)CC(C)CCO MCULE-4252029005 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.5 CC(O)CC(O)CCO MCULE-4888514297 [1,0,0,0,0,0|1,0,1]=3 41 B8R0.5 CC(O)CN(C)CCO MCULE-4977568845 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [1,0,0,0,0,0|1,0,2]=4 43 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [1,0,0,0,0,0|1,0,2]=4 44 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [1,0,0,0,0,0|1,0,2]=4 45 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [1,0,0,0,0,0|1,0,2]=4 46 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [1,0,0,0,0,0|1,0,0]=2 48 B8R0.5 CCCC(C)CC(C)O MCULE-3968478752 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.5 CCCC(C)OC(=O)C MCULE-2841775696 [1,0,0,0,0,0|3,0,0]=4 50 B8R0.5 CCCC(C)OC(=O)Cl MCULE-8719460411 [1,0,0,0,0,0|3,0,0]=4 51 B8R0.5 CCCC(C)OC(=O)N MCULE-5471819133 [1,0,0,0,0,0|3,0,0]=4 52 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [1,0,0,0,0,0|2,0,0]=3 53 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [1,0,0,0,0,0|2,0,0]=3 54 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [1,0,0,0,0,0|2,0,0]=3 55 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [1,0,0,0,0,0|2,0,0]=3 56 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [1,0,0,0,0,0|1,0,0]=2 57 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [1,0,0,0,0,0|2,0,0]=3 58 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [1,0,0,0,0,0|2,0,0]=3 59 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [1,0,0,0,0,0|2,0,1]=4 60 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [1,0,0,0,0,0|2,0,0]=3 61 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [1,0,0,0,0,0|2,0,0]=3 62 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [1,0,0,0,0,0|2,0,0]=3 63 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [1,0,0,0,0,0|2,0,0]=3 64 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [1,0,0,0,0,0|2,0,0]=3 65 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [1,0,0,0,0,0|2,0,0]=3 66 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [1,0,0,0,0,0|2,0,0]=3 67 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [1,0,0,0,0,0|2,0,0]=3 68 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [1,0,0,0,0,0|1,0,0]=2 69 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [1,0,0,0,0,0|2,0,0]=3 70 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [1,0,0,0,0,0|2,0,0]=3 71 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [1,0,0,0,0,0|2,0,0]=3 72 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [1,0,0,0,0,0|1,0,0]=2 73 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [1,0,0,0,0,0|1,0,0]=2 74 B8R0.30 C=CCC(C)(C)CC=O MCULE-7716755680 [1,0,0,0,0,0|2,0,1]=4 75 B8R0.30 C=CCC(C)(C)CCC MCULE-8170673795 [1,0,0,0,0,0|3,0,0]=4 76 B8R0.30 C=CCC(C)(C)CCN MCULE-4913965805 [1,0,0,0,0,0|3,0,0]=4 77 B8R0.30 C=CCC(C)(O)CC=C MCULE-3347047294 [1,0,0,0,0,0|2,0,1]=4 78 B8R0.30 C=CCC(C)(O)CCC MCULE-8490850839 [1,0,0,0,0,0|2,0,0]=3 79 B8R0.30 CC(C)(CCO)CCO MCULE-7035754164 [1,0,0,0,0,0|1,0,1]=3 80 B8R0.30 CCCC(C)(O)CCC MCULE-9859031484 [1,0,0,0,0,0|2,0,1]=4 81 B8R0.30 CCCC(C)(S)CCO MCULE-6991730364 [1,0,0,0,0,0|1,1,1]=4 82 B8R0.30 COCC(C)(N)CCO MCULE-5008627623 [1,0,0,0,0,0|3,0,0]=4 83 B8R0.30 COCC(C)(O)CCN MCULE-5393581097 [1,0,0,0,0,0|3,0,0]=4 84 B8R0.30 C[N+](C)(CCO)CCO MCULE-2028013559 [1,0,0,0,0,0|2,0,1]=4 85 B8R0.30 C[N+](C)(CCO)CCO MCULE-7276455285 [1,0,0,0,0,0|2,0,1]=4 86 B8R0.30 OCCC(F)(F)CCO MCULE-1653923839 [1,0,0,0,0,0|2,0,1]=4 87 B8R0.34 C=C(C)CC(C)(C)CC MCULE-9469757352 [1,0,0,0,0,0|3,0,0]=4 88 B8R0.34 C=CC(C)(C)CC(=O)O MCULE-5164134544 [1,0,0,0,0,0|1,0,2]=4 89 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-6219975516 [1,0,0,0,0,0|1,0,2]=4 90 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-7181187393 [1,0,0,0,0,0|1,0,2]=4 91 B8R0.34 C=CC(C)(O)CC(=O)O MCULE-2178203310 [1,0,0,0,0,0|0,0,2]=3 92 B8R0.34 CC(=O)NC(C)(C)CO MCULE-7854801131 [1,0,0,0,0,0|3,0,0]=4 93 B8R0.34 CC(=O)OC(C)(C)CO MCULE-6739454773 [1,0,0,0,0,0|3,0,0]=4 94 B8R0.34 CC(C)(C#N)CC(=O)O MCULE-3389391069 [1,0,0,0,0,0|2,0,1]=4 95 B8R0.34 CC(C)(CBr)CC(=O)O MCULE-4311085343 [1,0,0,0,0,0|2,0,0]=3 96 B8R0.34 CC(C)(CN)CC(=O)O MCULE-6230830854 [1,0,0,0,0,0|2,0,0]=3 97 B8R0.34 CC(C)(CN)CC(=O)O MCULE-7518023349 [1,0,0,0,0,0|2,0,0]=3 98 B8R0.34 CC(C)(CO)CC(=O)O MCULE-8595593482 [1,0,0,0,0,0|1,0,0]=2 99 B8R0.34 CC(C)(CO)CC(=O)[O-] MCULE-9214676521 [1,0,0,0,0,0|1,0,1]=3 100 B8R0.34 CC(O)(CN)CC(=O)O MCULE-3304637192 [1,0,0,0,0,0|1,0,0]=2 101 B8R0.34 CC(O)(CN)CC(=O)O MCULE-4143526784 [1,0,0,0,0,0|1,0,0]=2 102 B8R0.34 CCC(C)(C)CC(=O)C MCULE-9050476347 [1,0,0,0,0,0|2,0,0]=3 103 B8R0.34 CCC(C)(C)CC(=O)O MCULE-7231252497 [1,0,0,0,0,0|1,0,0]=2 104 B8R0.34 CCC(C)(C)NC(=O)C MCULE-4494448055 [1,0,0,0,0,0|3,0,0]=4 105 B8R0.34 CCC(C)(C)OC(=O)C MCULE-9920396593 [1,0,0,0,0,0|3,0,0]=4 106 B8R0.34 CCC(C)(O)CC(=O)O MCULE-2487477968 [1,0,0,0,0,0|0,0,0]=1 107 B8R0.34 CCC(C)(O)CC(C)C MCULE-2017778784 [1,0,0,0,0,0|2,0,1]=4 108 B8R0.34 CCC(F)(F)CC(=O)O MCULE-6139996682 [1,0,0,0,0,0|2,0,0]=3 109 B8R0.34 CCS(=O)(=O)CC(=O)O MCULE-2833586083 [1,0,0,0,0,0|2,0,1]=4 110 B8R0.34 COC(C)(C)CC(=O)C MCULE-7283878436 [1,0,0,0,0,0|3,0,0]=4 111 B8R0.34 COC(C)(C)CC(=O)O MCULE-3953307849 [1,0,0,0,0,0|2,0,0]=3 112 B8R0.34 CSC(C)(C)CC(=O)C MCULE-8630996828 [1,0,0,0,0,0|3,0,0]=4 113 B8R0.34 NCC(F)(F)CC(=O)O MCULE-1672648881 [1,0,0,0,0,0|3,0,0]=4 114 B8R0.34 O=C(O)CP(=O)(O)OO MCULE-4846368706 [1,0,0,0,0,0|3,0,0]=4 115 B10R0.122 CC(=O)OC(C)(C)CCCO MCULE-6283157780 [0,1,0,0,0,0|3,0,0]=4 116 B10R0.122 COCCS(=O)(=O)CC(=O)O MCULE-2594167795 [0,1,0,0,0,0|2,0,1]=4 117 B10R0.148 CCCC(F)(F)CC(=O)OC MCULE-8819227396 [0,1,0,0,0,0|3,0,0]=4 118 B10R0.165 CC(=O)CC(C)(C)CC(=O)O MCULE-4874610800 [0,1,0,0,0,0|1,0,2]=4 119 B10R0.165 CC(C)(CC(=O)O)CC(=O)O MCULE-3688310273 [0,1,0,0,0,0|1,0,1]=3 120 B10R0.165 CC(C)(CC(=O)O)CC(F)F MCULE-2986569023 [0,1,0,0,0,0|2,0,0]=3 121 B10R0.165 CC(C)(CC(=O)O)CN(=O)=O MCULE-7824488926 [0,1,0,0,0,0|2,0,1]=4 122 B10R0.165 CC(O)(CC(=O)O)CC(=O)O MCULE-9846508304 [0,1,0,0,0,0|0,0,1]=2 123 B10R0.165 CN(C)CC(C)(C)CC(=O)O MCULE-6420686282 [0,1,0,0,0,0|3,0,0]=4 124 B10R0.165 O=C(O)CC(F)(F)CC(=O)O MCULE-1340481205 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.42 COC1C(C1(C)C)C(=O)O MCULE-4079852033 [0,0,0,1,0,0|3,0,0]=4 126 B10R1.128 CC1(CCC=C1C(=O)O)C MCULE-6540475820 [0,0,0,1,0,0|2,0,1]=4 127 B10R1.128 CC1(CCCC1C(=O)O)C MCULE-4580682391 [0,0,0,1,0,0|2,0,0]=3 128 B10R1.128 CC1(CCCC1C(=O)O)N MCULE-6959799055 [0,0,0,1,0,0|2,0,0]=3 129 B10R1.128 CC1(CCCC1C(=O)O)N MCULE-7529713765 [0,0,0,1,0,0|2,0,0]=3 130 B10R1.128 CC1(CCNC1C(=O)O)C MCULE-4368125699 [0,0,0,1,0,0|2,0,0]=3 131 B10R1.128 CC1(CCNC1C(=O)O)C MCULE-9548940162 [0,0,0,1,0,0|2,0,0]=3 132 B10R1.128 CC1(CCN[C@@H]1C(=O)O)C MCULE-9288829524 [0,0,0,1,0,0|2,0,0]=3 133 B10R1.128 CC1(CCN[C@@H]1C(=O)O)C MCULE-9565122593 [0,0,0,1,0,0|2,0,0]=3 134 B10R1.128 CC1(CNCC1C(=O)O)C MCULE-3386370307 [0,0,0,1,0,0|3,0,0]=4 135 B10R1.128 CC1(CNCC1C(=O)O)C MCULE-6121405177 [0,0,0,1,0,0|3,0,0]=4 136 B10R1.128 CC1(CNC[C@@H]1C(=O)O)C MCULE-2007377437 [0,0,0,1,0,0|3,0,0]=4 137 B10R1.128 CC1(CNC[C@@H]1C(=O)O)C MCULE-2184930829 [0,0,0,1,0,0|3,0,0]=4 138 B10R1.128 CC1(CNC[C@H]1C(=O)O)C MCULE-1263349937 [0,0,0,1,0,0|3,0,0]=4 139 B10R1.128 CC1(CNC[C@H]1C(=O)O)C MCULE-7547643584 [0,0,0,1,0,0|3,0,0]=4 140 B10R1.128 CC1(OCCC1C(=O)O)C MCULE-4433776174 [0,0,0,1,0,0|3,0,0]=4 141 B10R1.128 CC1(SCNC1C(=O)O)C MCULE-4649954723 [0,0,0,1,0,0|3,0,0]=4 142 B10R1.128 CC1(SCN[C@@H]1C(=O)O)C MCULE-3039934368 [0,0,0,1,0,0|3,0,0]=4 143 B10R1.128 CC1(SCN[C@@H]1C(=O)O)C MCULE-7607354946 [0,0,0,1,0,0|3,0,0]=4 144 B10R1.128 CC1(SCN[C@H]1C(=O)O)C MCULE-3400987510 [0,0,0,1,0,0|3,0,0]=4 145 B10R1.128 CC1(SCN[C@H]1C(=O)O)C MCULE-7230856340 [0,0,0,1,0,0|3,0,0]=4 146 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N MCULE-2638855066 [0,0,0,1,0,0|2,0,0]=3 147 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N MCULE-7472901526 [0,0,0,1,0,0|2,0,0]=3 148 B10R1.128 C[N+]1(CCCC1C(=O)O)C MCULE-4111590223 [0,0,0,1,0,0|3,0,0]=4 149 B10R1.128 C[N+]1(CCC[C@H]1C(=O)O)C MCULE-8126384491 [0,0,0,1,0,0|3,0,0]=4 150 B10R1.128 O=C(O)C1CCCC1(F)F MCULE-3687597013 [0,0,0,1,0,0|3,0,0]=4 151 B10R1.128 O=C(O)C1NCCC1(F)F MCULE-2455048138 [0,0,0,1,0,0|3,0,0]=4 152 B10R1.128 O=C(O)C1NCCC1(F)F MCULE-9521153177 [0,0,0,1,0,0|3,0,0]=4 153 B10R1.128 O=C(O)C1OCCC1(F)F MCULE-1033630667 [0,0,0,1,0,0|2,0,0]=3 154 B10R1.128 O=C(O)[C@@H]1OCCC1(F)F MCULE-3394730004 [0,0,0,1,0,0|2,0,0]=3 155 B10R1.128 O=C(O)[C@H]1OCCC1(F)F MCULE-2296740232 [0,0,0,1,0,0|2,0,0]=3 156 B10R1.310 CN1CC(C1C(=O)O)(C)C MCULE-7901480911 [0,0,0,1,0,0|3,0,0]=4 157 B10R1.310 CN1CC([C@H]1C(=O)O)(C)C MCULE-5335439230 [0,0,0,1,0,0|3,0,0]=4 158 B10R1.310 [C@@H]1(N(CC1(C)C)C)C(=O)O MCULE-8814211574 [0,0,0,1,0,0|3,0,0]=4 159 B10R1.329 CC1(CC(=O)OC(=O)C1)C MCULE-1747312582 [0,0,0,1,0,0|1,0,2]=4 160 B10R1.329 CC1(CC(=O)OC(=O)C1)O MCULE-5750197379 [0,0,0,1,0,0|0,0,2]=3 161 B10R1.329 CC1=CC(CC(C1)(C)C)O MCULE-2334510737 [0,0,0,1,0,0|3,0,0]=4 162 B10R1.329 CC1CC(=O)CC(C1)(C)C MCULE-9871375617 [0,0,0,1,0,0|3,0,0]=4 163 B10R1.329 CC1CC(NC(=O)O1)(C)C MCULE-9059038179 [0,0,0,1,0,0|3,0,0]=4 164 B10R1.329 C[C@H]1CC(=O)CC(C1)(C)C MCULE-8164278833 [0,0,0,1,0,0|3,0,0]=4 165 B10R1.358 CC(C)(CC(=O)O)C1CC1 MCULE-9099960685 [0,0,0,1,0,0|2,0,0]=3 166 B10R1.358 CC(O)(CC(=O)O)C1CC1 MCULE-1126799973 [0,0,0,1,0,0|1,0,0]=2 167 B10R1.370 CC(=O)CC1(OCCO1)C MCULE-7083031493 [0,0,0,1,0,0|3,0,0]=4 168 B10R1.370 CC1(CCCC1)CC(=O)O MCULE-4967984413 [0,0,0,1,0,0|2,0,0]=3 169 B10R1.370 CC1(OCCO1)CC(=O)N MCULE-9299031360 [0,0,0,1,0,0|3,0,0]=4 170 B10R1.370 CC1(OCCO1)CC(=O)O MCULE-8187059716 [0,0,0,1,0,0|2,0,0]=3 171 B10R1.370 CC1(OCCO1)CC(=O)[O-] MCULE-9902021150 [0,0,0,1,0,0|2,0,1]=4 172 B10R1.370 NC1(CCCC1)CC(=O)O MCULE-5280016961 [0,0,0,1,0,0|2,0,0]=3 173 B10R1.370 NC1(CCCC1)CC(=O)O MCULE-8706705761 [0,0,0,1,0,0|2,0,0]=3 174 B10R1.370 NC1(CCSC1)CC(=O)O MCULE-1913904908 [0,0,0,1,0,0|1,1,0]=3 175 B10R1.370 O=C(O)CC1(CCCC1)O MCULE-7504539994 [0,0,0,1,0,0|1,0,0]=2 176 B10R1.370 O=C(O)CC1(CCOC1)O MCULE-7553623965 [0,0,0,1,0,0|0,0,0]=1 177 B10R1.394 COCC1(CC1)CC(=O)O MCULE-4232699913 [0,0,0,1,0,0|3,0,0]=4 178 B10R1.394 CSCC1(CC1)CC(=O)O MCULE-2913159582 [0,0,0,1,0,0|3,0,0]=4 179 B10R1.444 CC1(CC(=O)OC1CO)C MCULE-7833884937 [0,0,0,1,0,0|1,0,0]=2 180 B10R1.444 CC1(NC(=O)CC1CO)C MCULE-4212657677 [0,0,0,1,0,0|3,0,0]=4 181 B10R1.444 CC1(NC(=O)OC1CO)C MCULE-6093268572 [0,0,0,1,0,0|2,0,0]=3 182 B10R1.525 NC1(CS(=O)(=O)C1)CCO MCULE-5885638985 [0,0,0,1,0,0|2,0,1]=4 183 B8R0.12 C#CCC(C)(C)C(=O)O MCULE-9823304703 [0,0,0,0,1,0|2,0,1]=4 184 B8R0.12 C#CCC(C)(N)C(=O)O MCULE-8114982544 [0,0,0,0,1,0|2,0,1]=4 185 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2326062849 [0,0,0,0,1,0|2,0,1]=4 186 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2897598223 [0,0,0,0,1,0|2,0,1]=4 187 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-6332359697 [0,0,0,0,1,0|2,0,1]=4 188 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-9265618717 [0,0,0,0,1,0|2,0,1]=4 189 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-2976528694 [0,0,0,0,1,0|2,0,1]=4 190 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-7418052843 [0,0,0,0,1,0|2,0,1]=4 191 B8R0.12 C=CCC(C)(C)C(=O)O MCULE-7428318853 [0,0,0,0,1,0|2,0,1]=4 192 B8R0.12 C=CCC(C)(N)C(=O)O MCULE-7144199889 [0,0,0,0,1,0|2,0,1]=4 193 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-4753726738 [0,0,0,0,1,0|2,0,1]=4 194 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-8270551752 [0,0,0,0,1,0|2,0,1]=4 195 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-2471413685 [0,0,0,0,1,0|2,0,1]=4 196 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-5595289174 [0,0,0,0,1,0|2,0,1]=4 197 B8R0.12 CC(C)(CC#N)C(=O)O MCULE-5490055179 [0,0,0,0,1,0|2,0,1]=4 198 B8R0.12 CC(C)(CCCl)C(=O)Cl MCULE-2654588224 [0,0,0,0,1,0|3,0,0]=4 199 B8R0.12 CC(C)(CCN)C(=O)O MCULE-2948071531 [0,0,0,0,1,0|2,0,0]=3 200 B8R0.12 CC(C)(CCN)C(=O)O MCULE-9113980340 [0,0,0,0,1,0|2,0,0]=3 201 B8R0.12 CC(C)(CCO)C(=O)O MCULE-1566648548 [0,0,0,0,1,0|1,0,0]=2 202 B8R0.12 CC(C)(CCO)C(=O)[O-] MCULE-5034791567 [0,0,0,0,1,0|1,0,1]=3 203 B8R0.12 CC(N)(CCF)C(=O)O MCULE-5797177130 [0,0,0,0,1,0|2,0,0]=3 204 B8R0.12 CC(N)(CCF)C(=O)O MCULE-9911119608 [0,0,0,0,1,0|2,0,0]=3 205 B8R0.12 CCCC(C)(C)C(=O)C MCULE-3472590451 [0,0,0,0,1,0|3,0,0]=4 206 B8R0.12 CCCC(C)(C)C(=O)Cl MCULE-1035499713 [0,0,0,0,1,0|3,0,0]=4 207 B8R0.12 CCCC(C)(C)C(=O)O MCULE-7950118630 [0,0,0,0,1,0|2,0,0]=3 208 B8R0.12 CCCC(C)(N)C(=O)O MCULE-3079931045 [0,0,0,0,1,0|2,0,0]=3 209 B8R0.12 CCCC(C)(O)C(=O)N MCULE-5398805490 [0,0,0,0,1,0|2,0,0]=3 210 B8R0.12 CCCC(C)(O)C(=O)O MCULE-5292180056 [0,0,0,0,1,0|1,0,0]=2 211 B8R0.12 CCCC(F)(F)C(=O)O MCULE-9926038462 [0,0,0,0,1,0|3,0,0]=4 212 B8R0.12 CCC[C@](C)(N)C(=O)O MCULE-8569302783 [0,0,0,0,1,0|2,0,0]=3 213 B8R0.12 CCNC(C)(C)C(=O)O MCULE-5196592202 [0,0,0,0,1,0|3,0,0]=4 214 B8R0.12 CCNC(C)(C)C(=O)O MCULE-7185239447 [0,0,0,0,1,0|3,0,0]=4 215 B8R0.12 CCOC(C)(C)C(=O)O MCULE-7344066576 [0,0,0,0,1,0|3,0,0]=4 216 B8R0.12 CNCC(C)(C)C(=O)O MCULE-1701621773 [0,0,0,0,1,0|3,0,0]=4 217 B8R0.12 CNCC(C)(C)C(=O)O MCULE-7669976515 [0,0,0,0,1,0|3,0,0]=4 218 B8R0.12 COCC(C)(C)C(=O)O MCULE-9074673500 [0,0,0,0,1,0|3,0,0]=4 219 B8R0.12 COCC(C)(O)C(=O)O MCULE-7674892239 [0,0,0,0,1,0|2,0,0]=3 220 B8R0.12 CSCC(C)(C)C(=O)O MCULE-8010872211 [0,0,0,0,1,0|3,0,0]=4 221 B8R0.12 NCCC(F)(F)C(=O)O MCULE-3814517866 [0,0,0,0,1,0|3,0,0]=4 222 B10R0.105 CC(C)(CCN)CCC(=O)O MCULE-6274447452 [0,0,0,0,0,1|2,0,0]=3 223 B10R0.105 CC(C)(CCN)CCC(=O)O MCULE-8872228372 [0,0,0,0,0,1|2,0,0]=3 224 B10R0.105 COCC(C)(O)CNC(=O)C MCULE-4974513190 [0,0,0,0,0,1|3,0,0]=4 225 B10R0.105 O=C(O)CCS(=O)(=O)CCO MCULE-1223279473 [0,0,0,0,0,1|2,0,1]=4 226 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [2,0,0,0,0,0|0,0,2]=4 227 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [2,0,0,0,0,0|1,0,0]=3 228 B7R0.2 C=C(C)CC(C)CC MCULE-1001667584 [2,0,0,0,0,0|2,0,0]=4 229 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [2,0,0,0,0,0|0,0,2]=4 230 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [2,0,0,0,0,0|0,0,2]=4 231 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [2,0,0,0,0,0|2,0,0]=4 232 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [2,0,0,0,0,0|2,0,0]=4 233 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [2,0,0,0,0,0|2,0,0]=4 234 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [2,0,0,0,0,0|2,0,0]=4 235 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [2,0,0,0,0,0|2,0,0]=4 236 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [2,0,0,0,0,0|2,0,0]=4 237 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [2,0,0,0,0,0|1,0,0]=3 238 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [2,0,0,0,0,0|1,0,0]=3 239 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [2,0,0,0,0,0|0,0,2]=4 240 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [2,0,0,0,0,0|0,0,2]=4 241 B7R0.2 CCC(C)CB(O)O MCULE-4978906892 [2,0,0,0,0,0|1,0,1]=4 242 B7R0.2 CCC(C)CC(=N)N MCULE-6434778899 [2,0,0,0,0,0|2,0,0]=4 243 B7R0.2 CCC(C)CC(=N)N MCULE-7964734356 [2,0,0,0,0,0|2,0,0]=4 244 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [2,0,0,0,0,0|1,0,0]=3 245 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [2,0,0,0,0,0|1,0,0]=3 246 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [2,0,0,0,0,0|0,0,0]=2 247 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [2,0,0,0,0,0|0,0,0]=2 248 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [2,0,0,0,0,0|2,0,0]=4 249 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [2,0,0,0,0,0|2,0,0]=4 250 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [2,0,0,0,0,0|2,0,0]=4 251 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [2,0,0,0,0,0|2,0,0]=4 252 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [2,0,0,0,0,0|1,0,0]=3 253 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [2,0,0,0,0,0|1,0,0]=3 254 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [2,0,0,0,0,0|1,0,0]=3 255 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [2,0,0,0,0,0|0,0,0]=2 256 B7R0.2 CCC(O)CC(C)O MCULE-3115543235 [2,0,0,0,0,0|1,0,1]=4 257 B7R0.2 CCC(O)CN(=O)=O MCULE-6965491054 [2,0,0,0,0,0|1,0,1]=4 258 B7R0.2 CCN(C)CC(=O)C MCULE-5302720081 [2,0,0,0,0,0|2,0,0]=4 259 B7R0.2 CCN(C)CC(=O)C MCULE-7283054437 [2,0,0,0,0,0|2,0,0]=4 260 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [2,0,0,0,0,0|1,0,0]=3 261 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [2,0,0,0,0,0|1,0,1]=4 262 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [2,0,0,0,0,0|0,0,0]=2 263 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [2,0,0,0,0,0|0,0,0]=2 264 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [2,0,0,0,0,0|1,0,0]=3 265 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [2,0,0,0,0,0|1,0,0]=3 266 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [2,0,0,0,0,0|1,0,0]=3 267 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [2,0,0,0,0,0|1,0,0]=3 268 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [2,0,0,0,0,0|0,0,0]=2 269 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [2,0,0,0,0,0|0,0,0]=2 270 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [2,0,0,0,0,0|1,0,0]=3 271 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [2,0,0,0,0,0|1,0,0]=3 272 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [2,0,0,0,0,0|1,0,0]=3 273 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [2,0,0,0,0,0|1,0,0]=3 274 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [2,0,0,0,0,0|2,0,0]=4 275 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [2,0,0,0,0,0|2,0,0]=4 276 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [2,0,0,0,0,0|1,0,0]=3 277 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [2,0,0,0,0,0|1,0,0]=3 278 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [2,0,0,0,0,0|1,0,0]=3 279 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [2,0,0,0,0,0|1,0,0]=3 280 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [2,0,0,0,0,0|1,0,0]=3 281 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [2,0,0,0,0,0|1,0,0]=3 282 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [2,0,0,0,0,0|1,0,0]=3 283 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [2,0,0,0,0,0|1,0,0]=3 284 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [2,0,0,0,0,0|1,0,0]=3 285 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [2,0,0,0,0,0|2,0,0]=4 286 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [2,0,0,0,0,0|2,0,0]=4 287 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [2,0,0,0,0,0|1,0,0]=3 288 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [2,0,0,0,0,0|2,0,0]=4 289 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [2,0,0,0,0,0|2,0,0]=4 290 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [2,0,0,0,0,0|1,0,0]=3 291 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [2,0,0,0,0,0|1,0,0]=3 292 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [2,0,0,0,0,0|2,0,0]=4 293 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [2,0,0,0,0,0|2,0,0]=4 294 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [2,0,0,0,0,0|1,0,0]=3 295 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [2,0,0,0,0,0|1,0,0]=3 296 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [2,0,0,0,0,0|1,0,0]=3 297 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [2,0,0,0,0,0|1,0,0]=3 298 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [2,0,0,0,0,0|1,0,0]=3 299 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [2,0,0,0,0,0|1,0,0]=3 300 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [2,0,0,0,0,0|0,0,2]=4 301 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [2,0,0,0,0,0|0,0,0]=2 302 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [2,0,0,0,0,0|0,0,0]=2 303 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [2,0,0,0,0,0|0,0,1]=3 304 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [2,0,0,0,0,0|0,0,1]=3 305 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [2,0,0,0,0,0|1,0,1]=4 306 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [2,0,0,0,0,0|1,0,1]=4 307 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [2,0,0,0,0,0|1,0,1]=4 308 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [2,0,0,0,0,0|2,0,0]=4 309 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [2,0,0,0,0,0|2,0,0]=4 310 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [2,0,0,0,0,0|1,0,0]=3 311 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [2,0,0,0,0,0|2,0,0]=4 312 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [2,0,0,0,0,0|2,0,0]=4 313 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [2,0,0,0,0,0|2,0,0]=4 314 B7R0.4 CC(O)CCCCO MCULE-3790969400 [2,0,0,0,0,0|1,0,1]=4 315 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [2,0,0,0,0,0|2,0,0]=4 316 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [2,0,0,0,0,0|2,0,0]=4 317 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [2,0,0,0,0,0|2,0,0]=4 318 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [2,0,0,0,0,0|1,0,0]=3 319 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [2,0,0,0,0,0|1,0,1]=4 320 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [2,0,0,0,0,0|1,0,1]=4 321 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [2,0,0,0,0,0|2,0,0]=4 322 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [2,0,0,0,0,0|2,0,0]=4 323 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [2,0,0,0,0,0|2,0,0]=4 324 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [2,0,0,0,0,0|2,0,0]=4 325 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [2,0,0,0,0,0|2,0,0]=4 326 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [2,0,0,0,0,0|2,0,0]=4 327 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [2,0,0,0,0,0|2,0,0]=4 328 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [2,0,0,0,0,0|2,0,0]=4 329 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [2,0,0,0,0,0|2,0,0]=4 330 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [2,0,0,0,0,0|2,0,0]=4 331 B7R0.4 COCCCC(=O)O MCULE-3165881573 [2,0,0,0,0,0|2,0,0]=4 332 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [2,0,0,0,0,0|2,0,0]=4 333 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [2,0,0,0,0,0|1,0,1]=4 334 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [2,0,0,0,0,0|2,0,0]=4 335 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [2,0,0,0,0,0|2,0,0]=4 336 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [2,0,0,0,0,0|1,0,0]=3 337 B7R0.4 NC(=O)COCCO MCULE-3158372920 [2,0,0,0,0,0|2,0,0]=4 338 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [2,0,0,0,0,0|2,0,0]=4 339 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [2,0,0,0,0,0|2,0,0]=4 340 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [2,0,0,0,0,0|2,0,0]=4 341 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [2,0,0,0,0,0|2,0,0]=4 342 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [2,0,0,0,0,0|1,0,0]=3 343 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [2,0,0,0,0,0|1,0,0]=3 344 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [2,0,0,0,0,0|1,0,0]=3 345 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [2,0,0,0,0,0|1,0,0]=3 346 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [2,0,0,0,0,0|2,0,0]=4 347 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [2,0,0,0,0,0|2,0,0]=4 348 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [2,0,0,0,0,0|2,0,0]=4 349 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [2,0,0,0,0,0|2,0,0]=4 350 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [2,0,0,0,0,0|2,0,0]=4 351 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [2,0,0,0,0,0|2,0,0]=4 352 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [2,0,0,0,0,0|2,0,0]=4 353 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [2,0,0,0,0,0|2,0,0]=4 354 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [2,0,0,0,0,0|2,0,0]=4 355 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [2,0,0,0,0,0|2,0,0]=4 356 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [2,0,0,0,0,0|2,0,0]=4 357 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [2,0,0,0,0,0|0,0,2]=4 358 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [2,0,0,0,0,0|1,0,0]=3 359 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [2,0,0,0,0,0|1,0,0]=3 360 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [2,0,0,0,0,0|0,0,0]=2 361 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [2,0,0,0,0,0|0,1,0]=3 362 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [2,0,0,0,0,0|1,0,0]=3 363 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [2,0,0,0,0,0|2,0,0]=4 364 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [2,0,0,0,0,0|2,0,0]=4 365 B7R0.4 O=C(O)COCCF MCULE-9820799514 [2,0,0,0,0,0|2,0,0]=4 366 B7R0.4 O=C(O)COCCO MCULE-8297137880 [2,0,0,0,0,0|1,0,0]=3 367 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [2,0,0,0,0,0|2,0,0]=4 368 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [2,0,0,0,0,0|1,0,0]=3 369 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [2,0,0,0,0,0|0,0,1]=3 370 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [2,0,0,0,0,0|1,0,1]=4 371 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [2,0,0,0,0,0|0,0,2]=4 372 B7R0.4 O=N(=O)CCCCO MCULE-4639070341 [2,0,0,0,0,0|1,0,1]=4 373 B7R0.7 C=CCC(O)CCC MCULE-4006607391 [2,0,0,0,0,0|2,0,0]=4 374 B7R0.7 C=CCN(C)CCO MCULE-5364416545 [2,0,0,0,0,0|2,0,0]=4 375 B7R0.7 CC(CCN)CCO MCULE-7864092529 [2,0,0,0,0,0|1,0,1]=4 376 B7R0.7 CC(CCO)CCO MCULE-5426211201 [2,0,0,0,0,0|0,0,1]=3 377 B7R0.7 CCCC(C)CCO MCULE-6887128167 [2,0,0,0,0,0|1,0,1]=4 378 B7R0.7 CCCC(O)CCO MCULE-6957178966 [2,0,0,0,0,0|1,0,1]=4 379 B7R0.7 CCSC(C)CC=O MCULE-8200772170 [2,0,0,0,0,0|2,0,0]=4 380 B7R0.7 CN(CCO)CCO MCULE-3967840948 [2,0,0,0,0,0|1,0,1]=4 381 B7R0.7 CN(CCO)CCO MCULE-6878116085 [2,0,0,0,0,0|1,0,1]=4 382 B7R0.7 COCC(C)CCO MCULE-6812981556 [2,0,0,0,0,0|2,0,0]=4 383 B7R0.7 OCCC(O)CCO MCULE-1162803524 [2,0,0,0,0,0|0,0,1]=3 384 B7R0.11 C#CCC(C)(O)CC MCULE-6426679594 [2,0,0,0,0,0|1,0,1]=4 385 B7R0.11 C=CC(C)(C)CCO MCULE-8304657692 [2,0,0,0,0,0|1,0,1]=4 386 B7R0.11 C=CCC(C)(C)CO MCULE-7471335170 [2,0,0,0,0,0|2,0,0]=4 387 B7R0.11 C=CCC(C)(O)CC MCULE-9630662931 [2,0,0,0,0,0|1,0,0]=3 388 B7R0.11 CC(C)(CN)CCO MCULE-8453542373 [2,0,0,0,0,0|2,0,0]=4 389 B7R0.11 CC(C)(CO)CCN MCULE-5221703852 [2,0,0,0,0,0|2,0,0]=4 390 B7R0.11 CC(C)(CO)CCN MCULE-7380535368 [2,0,0,0,0,0|2,0,0]=4 391 B7R0.11 CC(C)(CO)CCO MCULE-1756560398 [2,0,0,0,0,0|1,0,0]=3 392 B7R0.11 CC(C)(CO)NC=O MCULE-3904144073 [2,0,0,0,0,0|2,0,0]=4 393 B7R0.11 CC(N)(CO)CCF MCULE-5569472665 [2,0,0,0,0,0|2,0,0]=4 394 B7R0.11 CC(O)(CO)CCO MCULE-4148316300 [2,0,0,0,0,0|0,0,0]=2 395 B7R0.11 CCC(C)(C)CC=O MCULE-5511626130 [2,0,0,0,0,0|1,0,0]=3 396 B7R0.11 CCC(C)(C)CCO MCULE-5248034600 [2,0,0,0,0,0|1,0,1]=4 397 B7R0.11 CCC(C)(N)CCO MCULE-7673513204 [2,0,0,0,0,0|1,0,1]=4 398 B7R0.11 CCC(C)(O)CCO MCULE-6173398477 [2,0,0,0,0,0|0,0,1]=3 399 B7R0.11 CCCC(C)(C)C=O MCULE-1675435662 [2,0,0,0,0,0|2,0,0]=4 400 B7R0.11 CCCC(C)(N)CO MCULE-9180767555 [2,0,0,0,0,0|2,0,0]=4 401 B7R0.11 CCCC(C)(O)CC MCULE-9155096022 [2,0,0,0,0,0|1,0,1]=4 402 B7R0.11 CCCC(C)(O)CN MCULE-4716937953 [2,0,0,0,0,0|2,0,0]=4 403 B7R0.11 CCCC(C)(O)CO MCULE-3737630396 [2,0,0,0,0,0|1,0,0]=3 404 B7R0.11 CCO[C@](C)(O)CO MCULE-2547633573 [2,0,0,0,0,0|2,0,0]=4 405 B7R0.11 COC(C)(C)CC=O MCULE-7442199663 [2,0,0,0,0,0|2,0,0]=4 406 B7R0.11 CSC(C)(C)CC=O MCULE-1759296791 [2,0,0,0,0,0|2,0,0]=4 407 B7R0.11 OCCC(F)(F)CO MCULE-9524877710 [2,0,0,0,0,0|2,0,0]=4 408 B7R0.9 CC(=O)CC(C)(C)C MCULE-5477546626 [2,0,0,0,0,0|2,0,0]=4 409 B7R0.9 CC(=O)CC(C)(C)Cl MCULE-5981575591 [2,0,0,0,0,0|2,0,0]=4 410 B7R0.9 CC(=O)CC(C)(C)N MCULE-1511988439 [2,0,0,0,0,0|2,0,0]=4 411 B7R0.9 CC(=O)CC(C)(C)N MCULE-7807079460 [2,0,0,0,0,0|2,0,0]=4 412 B7R0.9 CC(=O)CC(C)(C)N MCULE-8677016157 [2,0,0,0,0,0|2,0,0]=4 413 B7R0.9 CC(=O)CC(C)(C)O MCULE-2623560163 [2,0,0,0,0,0|1,0,0]=3 414 B7R0.9 CC(=O)CC(C)(C)S MCULE-8901285593 [2,0,0,0,0,0|1,1,0]=4 415 B7R0.9 CC(C)(Br)CC(=O)O MCULE-2452885576 [2,0,0,0,0,0|1,0,0]=3 416 B7R0.9 CC(C)(C)CC(=O)Cl MCULE-6018997465 [2,0,0,0,0,0|2,0,0]=4 417 B7R0.9 CC(C)(C)CC(=O)N MCULE-5884141657 [2,0,0,0,0,0|2,0,0]=4 418 B7R0.9 CC(C)(C)CC(=O)O MCULE-8746589287 [2,0,0,0,0,0|1,0,0]=3 419 B7R0.9 CC(C)(N)CC(=O)N MCULE-8203649114 [2,0,0,0,0,0|2,0,0]=4 420 B7R0.9 CC(C)(N)CC(=O)N MCULE-9031143786 [2,0,0,0,0,0|2,0,0]=4 421 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [2,0,0,0,0,0|1,0,0]=3 422 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [2,0,0,0,0,0|1,0,0]=3 423 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [2,0,0,0,0,0|1,0,0]=3 424 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [2,0,0,0,0,0|0,0,0]=2 425 B7R0.9 CC(C)(O)CN(=O)=O MCULE-5099028458 [2,0,0,0,0,0|1,0,1]=4 426 B7R0.9 CC(C)(S)CC(=O)O MCULE-6501202267 [2,0,0,0,0,0|0,1,0]=3 427 B7R0.9 CC(F)(F)CC(=O)O MCULE-2075069695 [2,0,0,0,0,0|2,0,0]=4 428 B7R0.9 CC(O)CC(C)(C)O MCULE-5281049691 [2,0,0,0,0,0|1,0,1]=4 429 B7R0.9 CC(O)CC(C)(C)O MCULE-8163963858 [2,0,0,0,0,0|1,0,1]=4 430 B7R0.9 C[As+](C)(C)CC(=O)O MCULE-7167642312 [2,0,0,0,0,0|2,0,0]=4 431 B7R0.9 C[C@@H](O)CC(C)(C)O MCULE-5779966658 [2,0,0,0,0,0|1,0,1]=4 432 B7R0.9 C[C@H](O)CC(C)(C)O MCULE-6903579241 [2,0,0,0,0,0|1,0,1]=4 433 B7R0.9 C[N+](C)(C)CC(=O)O MCULE-5937838609 [2,0,0,0,0,0|2,0,0]=4 434 B7R0.9 C[Si](C)(C)CC(=O)O MCULE-3888042601 [2,0,0,0,0,0|1,1,0]=4 435 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [2,0,0,0,0,0|2,0,0]=4 436 B9R0.4 C#CCCN(C)CC(=O)O MCULE-2368300215 [1,1,0,0,0,0|2,0,0]=4 437 B9R0.4 C#CCCN(C)CC(=O)O MCULE-3491335280 [1,1,0,0,0,0|2,0,0]=4 438 B9R0.4 C=CCCC(N)CC(=O)O MCULE-1616151020 [1,1,0,0,0,0|2,0,0]=4 439 B9R0.4 C=CCCC(N)CC(=O)O MCULE-6121434138 [1,1,0,0,0,0|2,0,0]=4 440 B9R0.4 CC(CC(=O)O)NCCO MCULE-6990108869 [1,1,0,0,0,0|0,0,0]=2 441 B9R0.4 CCCCC(C)CC(=O)O MCULE-1674327007 [1,1,0,0,0,0|1,0,0]=3 442 B9R0.4 CCCCC(N)CC(=O)O MCULE-4002800812 [1,1,0,0,0,0|2,0,0]=4 443 B9R0.4 CCCCC(N)CC(=O)O MCULE-8705314129 [1,1,0,0,0,0|2,0,0]=4 444 B9R0.4 CCCCC(O)CC(=O)O MCULE-6348296633 [1,1,0,0,0,0|1,0,0]=3 445 B9R0.4 CCCC[C@@H](N)CC(=O)O MCULE-8271790861 [1,1,0,0,0,0|2,0,0]=4 446 B9R0.4 CCCC[C@H](C)CC(=O)O MCULE-2048808547 [1,1,0,0,0,0|1,0,0]=3 447 B9R0.4 CCCC[C@H](N)CC(=O)O MCULE-1387096023 [1,1,0,0,0,0|2,0,0]=4 448 B9R0.4 CN(CCC#N)CC(=O)O MCULE-1515172721 [1,1,0,0,0,0|2,0,0]=4 449 B9R0.4 COCCN(C)CC(=O)O MCULE-2440763888 [1,1,0,0,0,0|1,0,0]=3 450 B9R0.4 COCCN(C)CC(=O)O MCULE-6319676297 [1,1,0,0,0,0|1,0,0]=3 451 B9R0.4 CSCCC(N)CC(=O)O MCULE-1046928513 [1,1,0,0,0,0|1,1,0]=4 452 B9R0.4 CSCCC(N)CC(=O)O MCULE-8979030814 [1,1,0,0,0,0|1,1,0]=4 453 B9R0.4 CSCCC(O)CC(=O)O MCULE-8328222292 [1,1,0,0,0,0|0,1,0]=3 454 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-2765615228 [1,1,0,0,0,0|1,1,0]=4 455 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-5262188114 [1,1,0,0,0,0|1,1,0]=4 456 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-7951099593 [1,1,0,0,0,0|1,1,0]=4 457 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-9117868798 [1,1,0,0,0,0|1,1,0]=4 458 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-1875547228 [1,1,0,0,0,0|1,1,0]=4 459 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2149586027 [1,1,0,0,0,0|1,1,0]=4 460 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2492945888 [1,1,0,0,0,0|1,1,0]=4 461 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-3229832789 [1,1,0,0,0,0|1,1,0]=4 462 B9R0.4 NCCCC(N)CC(=O)O MCULE-3705980324 [1,1,0,0,0,0|2,0,0]=4 463 B9R0.4 NCCCC(N)CC(=O)O MCULE-5566899547 [1,1,0,0,0,0|2,0,0]=4 464 B9R0.4 NCCC[C@@H](N)CC(=O)O MCULE-3425525065 [1,1,0,0,0,0|2,0,0]=4 465 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-2321041121 [1,1,0,0,0,0|2,0,0]=4 466 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-6552199637 [1,1,0,0,0,0|2,0,0]=4 467 B9R0.6 CCCC(C)C(N)C(=O)O MCULE-3481285649 [1,1,0,0,0,0|1,0,0]=3 468 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [1,1,0,0,0,0|1,0,0]=3 469 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O MCULE-2918610954 [1,1,0,0,0,0|2,0,0]=4 470 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O MCULE-1958502407 [1,1,0,0,0,0|2,0,0]=4 471 B9R0.6 CCC[C@H](N)C(O)C(=O)O MCULE-8649182139 [1,1,0,0,0,0|2,0,0]=4 472 B9R0.6 COCC(C)C(C)C(=O)O MCULE-8168198082 [1,1,0,0,0,0|2,0,0]=4 473 B9R0.14 C=CC(CCC)CC(=O)O MCULE-7907267151 [1,1,0,0,0,0|1,0,1]=4 474 B9R0.14 CCCC(CC)CC(=O)O MCULE-7716353443 [1,1,0,0,0,0|1,0,0]=3 475 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-4327977098 [1,1,0,0,0,0|2,0,0]=4 476 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-9731178196 [1,1,0,0,0,0|2,0,0]=4 477 B9R0.23 CCN(C)C(C)CC(=O)O MCULE-8864839000 [1,1,0,0,0,0|2,0,0]=4 478 B9R0.23 CCN(C)C(C)CC(=O)O MCULE-9691138087 [1,1,0,0,0,0|2,0,0]=4 479 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-3497593262 [1,1,0,0,0,0|2,0,0]=4 480 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-4155901879 [1,1,0,0,0,0|2,0,0]=4 481 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-8221314475 [1,1,0,0,0,0|2,0,0]=4 482 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-9196761404 [1,1,0,0,0,0|2,0,0]=4 483 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-2430009158 [1,1,0,0,0,0|2,0,0]=4 484 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-9647386489 [1,1,0,0,0,0|2,0,0]=4 485 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-2618743733 [1,1,0,0,0,0|2,0,0]=4 486 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-5773439736 [1,1,0,0,0,0|2,0,0]=4 487 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-6590436922 [1,1,0,0,0,0|2,0,0]=4 488 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-9722049324 [1,1,0,0,0,0|2,0,0]=4 489 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [1,1,0,0,0,0|0,0,0]=2 490 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [1,1,0,0,0,0|0,0,0]=2 491 B9R0.34 CCCC(N)CC(=O)OC MCULE-5451525631 [1,1,0,0,0,0|2,0,0]=4 492 B9R0.34 CCCC(N)CC(=O)OC MCULE-7351529051 [1,1,0,0,0,0|2,0,0]=4 493 B9R0.34 CCCC(O)CC(=O)OC MCULE-5453080247 [1,1,0,0,0,0|1,0,0]=3 494 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-1916315590 [1,1,0,0,0,0|2,0,0]=4 495 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-6083487116 [1,1,0,0,0,0|2,0,0]=4 496 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-7324647206 [1,1,0,0,0,0|2,0,0]=4 497 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-8276275492 [1,1,0,0,0,0|2,0,0]=4 498 B9R0.34 CCC[C@H](O)CC(=O)OC MCULE-6660623319 [1,1,0,0,0,0|1,0,0]=3 499 B9R0.34 COC(=O)CC(=O)CCO MCULE-6784952769 [1,1,0,0,0,0|0,0,2]=4 500 B9R0.34 [C@@H](O)(CCC)CC(=O)OC MCULE-5886148746 [1,1,0,0,0,0|1,0,0]=3 501 B9R0.53 CC(=O)CC(C)CC(C)C MCULE-3290069482 [1,1,0,0,0,0|2,0,0]=4 502 B9R0.53 CC(C)CC(C)CC(=O)O MCULE-6189870651 [1,1,0,0,0,0|1,0,0]=3 503 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-3491123553 [1,1,0,0,0,0|2,0,0]=4 504 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-4917004131 [1,1,0,0,0,0|2,0,0]=4 505 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-9751191377 [1,1,0,0,0,0|2,0,0]=4 506 B9R0.53 CC(C)CC(O)CC(=O)O MCULE-2536433460 [1,1,0,0,0,0|1,0,0]=3 507 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-1906257031 [1,1,0,0,0,0|2,0,0]=4 508 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-5676550364 [1,1,0,0,0,0|2,0,0]=4 509 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-8752852377 [1,1,0,0,0,0|2,0,0]=4 510 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-9926372034 [1,1,0,0,0,0|2,0,0]=4 511 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5502640895 [1,1,0,0,0,0|2,0,0]=4 512 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5602246196 [1,1,0,0,0,0|2,0,0]=4 513 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-6522397846 [1,1,0,0,0,0|2,0,0]=4 514 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-8594791252 [1,1,0,0,0,0|2,0,0]=4 515 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [1,1,0,0,0,0|0,0,1]=3 516 B9R0.53 CN(C)CC(O)CC(=O)O MCULE-7052117725 [1,1,0,0,0,0|2,0,0]=4 517 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [1,1,0,0,0,0|1,0,1]=4 518 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [1,1,0,0,0,0|1,0,1]=4 519 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [1,1,0,0,0,0|1,0,1]=4 520 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [1,1,0,0,0,0|1,0,1]=4 521 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [1,1,0,0,0,0|0,0,1]=3 522 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-2432744381 [1,1,0,0,0,0|1,0,1]=4 523 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-7800105371 [1,1,0,0,0,0|1,0,1]=4 524 B9R0.11 CC(=O)C(C)(C)CC(=O)O MCULE-3797968347 [1,1,0,0,0,0|1,0,1]=4 525 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [1,1,0,0,0,0|1,0,1]=4 526 B9R0.11 CC(C)(CC(=O)O)C(F)F MCULE-3977275616 [1,1,0,0,0,0|2,0,0]=4 527 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [1,1,0,0,0,0|1,0,1]=4 528 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [1,1,0,0,0,0|1,0,1]=4 529 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [1,1,0,0,0,0|0,0,1]=3 530 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [1,1,0,0,0,0|1,0,1]=4 531 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [1,1,0,0,0,0|1,0,1]=4 532 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [1,1,0,0,0,0|1,0,1]=4 533 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [1,1,0,0,0,0|0,0,1]=3 534 B9R0.22 CCC(=O)CC(C)(O)CC MCULE-6647150636 [1,1,0,0,0,0|1,0,0]=3 535 B9R0.22 CCC(C)(C)CC(=O)OC MCULE-9086898294 [1,1,0,0,0,0|1,0,0]=3 536 B9R0.22 CCC(F)(F)CC(=O)OC MCULE-3813818214 [1,1,0,0,0,0|2,0,0]=4 537 B9R0.22 CNC(C)(C)CC(=O)OC MCULE-7640864823 [1,1,0,0,0,0|2,0,0]=4 538 B9R0.22 COC(=O)CC(C)(C)CN MCULE-1994410298 [1,1,0,0,0,0|2,0,0]=4 539 B9R0.22 COC(=O)CC(C)(C)CN MCULE-9711171520 [1,1,0,0,0,0|2,0,0]=4 540 B9R0.32 CC(C)(CN)C(O)C(=O)O MCULE-1251426662 [1,1,0,0,0,0|2,0,0]=4 541 B9R0.32 CC(C)(CO)C(=O)C(=O)O MCULE-6046561180 [1,1,0,0,0,0|1,0,1]=4 542 B9R0.32 CC(C)(CO)C(O)C(=O)N MCULE-2942836455 [1,1,0,0,0,0|2,0,0]=4 543 B9R0.32 CC(C)(CO)C(O)C(=O)O MCULE-3752332762 [1,1,0,0,0,0|1,0,0]=3 544 B9R0.32 CC(C)(CO)C(O)C(=O)[O-] MCULE-8284553290 [1,1,0,0,0,0|1,0,1]=4 545 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O MCULE-7418140514 [1,1,0,0,0,0|1,0,0]=3 546 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)[O-] MCULE-3131803550 [1,1,0,0,0,0|1,0,1]=4 547 B9R0.32 CCC(C)(C)C(=O)C(=O)O MCULE-2609139055 [1,1,0,0,0,0|1,0,1]=4 548 B9R0.32 CCC(C)(C)C(N)C(=O)O MCULE-2030759346 [1,1,0,0,0,0|1,0,0]=3 549 B9R0.32 CCC(C)(C)C(N)C(=O)O MCULE-8756866734 [1,1,0,0,0,0|1,0,0]=3 550 B9R0.32 CCC(C)(C)C(O)C(=O)O MCULE-6783140520 [1,1,0,0,0,0|1,0,0]=3 551 B9R0.32 CCC(C)(O)C(O)C(=O)O MCULE-6322081363 [1,1,0,0,0,0|0,0,0]=2 552 B9R0.32 COC(C)(C)C(Br)C(=O)O MCULE-4686359113 [1,1,0,0,0,0|2,0,0]=4 553 B9R0.32 COC(C)(C)C(N)C(=O)O MCULE-7291117506 [1,1,0,0,0,0|2,0,0]=4 554 B9R0.32 COC(C)(C)[C@H](N)C(=O)O MCULE-1351027484 [1,1,0,0,0,0|2,0,0]=4 555 B9R0.63 CC(C#N)(CO)CC(=O)O MCULE-7644811798 [1,1,0,0,0,0|1,0,0]=3 556 B9R0.63 CC(CN)(CO)CC(=O)O MCULE-3238773867 [1,1,0,0,0,0|1,0,0]=3 557 B9R0.63 CC(CN)(CO)CC(=O)O MCULE-9021134491 [1,1,0,0,0,0|1,0,0]=3 558 B9R0.51 C=CCCC(C)(C)C(=O)O MCULE-1492058519 [0,1,0,0,1,0|2,0,0]=4 559 B9R0.51 C=CCC[C@@](C)(N)C(=O)O MCULE-8852684173 [0,1,0,0,1,0|2,0,0]=4 560 B9R0.51 C=CCC[C@](C)(N)C(=O)O MCULE-1635647275 [0,1,0,0,1,0|2,0,0]=4 561 B9R0.51 CC(C)(CCC#N)C(=O)O MCULE-6179801954 [0,1,0,0,1,0|2,0,0]=4 562 B9R0.51 CC(C)(CCCO)C(=O)O MCULE-8432032551 [0,1,0,0,1,0|1,0,0]=3 563 B9R0.51 CC(C)(CCCO)C(=O)[O-] MCULE-7948640149 [0,1,0,0,1,0|1,0,1]=4 564 B9R0.51 CC(C)(OCCO)C(=O)O MCULE-7350629526 [0,1,0,0,1,0|1,0,0]=3 565 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-3848172930 [0,1,0,0,1,0|2,0,0]=4 566 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-8569683447 [0,1,0,0,1,0|2,0,0]=4 567 B9R0.51 CCCCC(C)(C)C(=O)O MCULE-6533628152 [0,1,0,0,1,0|2,0,0]=4 568 B9R0.51 CCCCC(C)(F)C(=O)O MCULE-3264455202 [0,1,0,0,1,0|2,0,0]=4 569 B9R0.51 CCCCC(C)(O)C(=O)O MCULE-4036610380 [0,1,0,0,1,0|1,0,0]=3 570 B9R0.51 CCOCC(C)(C)C(=O)O MCULE-3248915686 [0,1,0,0,1,0|2,0,0]=4 571 B9R0.51 COCCC(C)(C)C(=O)O MCULE-6792174270 [0,1,0,0,1,0|1,0,0]=3 572 B9R0.51 COCCC(C)(N)C(=O)O MCULE-5241047385 [0,1,0,0,1,0|1,0,0]=3 573 B9R0.74 CCCC(C)(CC)C(=O)O MCULE-2557760328 [0,1,0,0,1,0|2,0,0]=4 574 B9R0.74 CCCC(N)(CC)C(=O)O MCULE-2758260935 [0,1,0,0,1,0|2,0,0]=4 575 B9R0.74 CCCC(N)(CC)C(=O)O MCULE-6297600490 [0,1,0,0,1,0|2,0,0]=4 576 B9R0.74 COCC(C)(OC)C(=O)O MCULE-5307101549 [0,1,0,0,1,0|2,0,0]=4 577 B11R0.232 CC(C)(CCC(=O)O)CC(=O)O MCULE-6179333060 [0,1,0,0,0,1|1,0,1]=4 578 B11R0.208 CC(C)(CC(=O)O)CC(F)(F)F MCULE-5704360996 [0,2,0,0,0,0|2,0,0]=4 579 B11R0.210 CCC(C)(CC(=O)O)CC(=O)O MCULE-3159318035 [0,2,0,0,0,0|1,0,1]=4 580 B11R0.352 CCCC(O)(CCC)CC(=O)O MCULE-8726903905 [0,2,0,0,0,0|1,0,0]=3 581 B11R0.255 COC(=O)CC(C)(C)CC(=O)O MCULE-4831686132 [0,2,0,0,0,0|1,0,1]=4 582 B11R0.255 COC(=O)CC(C)(O)CC(=O)O MCULE-6123682531 [0,2,0,0,0,0|0,0,1]=3 583 B11R0.353 CCOC(=O)CC(C)(C)CCBr MCULE-7747682416 [0,2,0,0,0,0|2,0,0]=4 584 B11R0.353 CCOC(=O)CC(C)(C)CCCl MCULE-9290523222 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.7 CCCC1CCC(=O)C1 MCULE-9793680877 [1,0,0,1,0,0|2,0,0]=4 586 B9R1.7 CCCC1CNC(=O)C1 MCULE-4931707298 [1,0,0,1,0,0|2,0,0]=4 587 B9R1.7 CCCC1COC(=O)C1 MCULE-1327483782 [1,0,0,1,0,0|1,0,0]=3 588 B9R1.7 CCCC1COC(=O)C1 MCULE-2912518782 [1,0,0,1,0,0|1,0,0]=3 589 B9R1.7 CCCC1COC(=O)O1 MCULE-7663556618 [1,0,0,1,0,0|2,0,0]=4 590 B9R1.7 CCC[C@@H]1COC(=O)C1 MCULE-3295643630 [1,0,0,1,0,0|1,0,0]=3 591 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4217358413 [1,0,0,1,0,0|1,0,0]=3 592 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4815713221 [1,0,0,1,0,0|1,0,0]=3 593 B9R1.7 NCCC1CNC(=O)C1 MCULE-8054842830 [1,0,0,1,0,0|2,0,0]=4 594 B9R1.7 NCCC1CNC(=O)C1 MCULE-8879419553 [1,0,0,1,0,0|2,0,0]=4 595 B9R1.7 O=C1CC(CN1)CCO MCULE-6468116083 [1,0,0,1,0,0|1,0,0]=3 596 B9R1.7 O=C1CCC(N1)CCO MCULE-8691061986 [1,0,0,1,0,0|2,0,0]=4 597 B9R1.7 O=C1CC[C@H](N1)CCO MCULE-7396523836 [1,0,0,1,0,0|2,0,0]=4 598 B9R1.7 O=C1CC[C@H](N1)CCO MCULE-8307506069 [1,0,0,1,0,0|2,0,0]=4 599 B9R1.13 C1(CCCN1)CC(=O)O MCULE-3743402418 [1,0,0,1,0,0|2,0,0]=4 600 B9R1.13 C1(CCCN1)CC(=O)O MCULE-9966702869 [1,0,0,1,0,0|2,0,0]=4 601 B9R1.13 C1(CCNC1)CC(=O)O MCULE-7279534621 [1,0,0,1,0,0|1,0,0]=3 602 B9R1.13 CC(=O)CC1CCCC1 MCULE-5830536761 [1,0,0,1,0,0|2,0,0]=4 603 B9R1.13 CC(=O)CC1CCCO1 MCULE-7012539509 [1,0,0,1,0,0|2,0,0]=4 604 B9R1.13 CC(=O)CC1CCOC1 MCULE-2391008206 [1,0,0,1,0,0|1,0,0]=3 605 B9R1.13 CC(=O)SC1CCOC1 MCULE-8318391351 [1,0,0,1,0,0|2,0,0]=4 606 B9R1.13 CC(O)CC1CCOC1 MCULE-4873864951 [1,0,0,1,0,0|1,0,1]=4 607 B9R1.13 NC(=O)CC1CCCC1 MCULE-2082339108 [1,0,0,1,0,0|2,0,0]=4 608 B9R1.13 NC(=O)CC1CCNC1 MCULE-7856346382 [1,0,0,1,0,0|2,0,0]=4 609 B9R1.13 NC(=O)CC1CCNC1 MCULE-9708437402 [1,0,0,1,0,0|2,0,0]=4 610 B9R1.13 O=C(Cl)CC1CCCC1 MCULE-1532102571 [1,0,0,1,0,0|2,0,0]=4 611 B9R1.13 O=C(Cl)CC1CCCO1 MCULE-6649417514 [1,0,0,1,0,0|2,0,0]=4 612 B9R1.13 O=C(Cl)OC1CCOC1 MCULE-2201264760 [1,0,0,1,0,0|2,0,0]=4 613 B9R1.13 O=C(O)CC1C=CCC1 MCULE-6825390000 [1,0,0,1,0,0|1,0,1]=4 614 B9R1.13 O=C(O)CC1CC=CC1 MCULE-8417475923 [1,0,0,1,0,0|1,0,1]=4 615 B9R1.13 O=C(O)CC1CCCC1 MCULE-1115751804 [1,0,0,1,0,0|1,0,0]=3 616 B9R1.13 O=C(O)CC1CCCN1 MCULE-6784535537 [1,0,0,1,0,0|2,0,0]=4 617 B9R1.13 O=C(O)CC1CCCN1 MCULE-8302150253 [1,0,0,1,0,0|2,0,0]=4 618 B9R1.13 O=C(O)CC1CCCO1 MCULE-8027346350 [1,0,0,1,0,0|1,0,0]=3 619 B9R1.13 O=C(O)CC1CCNC1 MCULE-3199492917 [1,0,0,1,0,0|1,0,0]=3 620 B9R1.13 O=C(O)CC1CCNC1 MCULE-3887627276 [1,0,0,1,0,0|1,0,0]=3 621 B9R1.13 O=C(O)CC1CCOC1 MCULE-5167901709 [1,0,0,1,0,0|0,0,0]=2 622 B9R1.13 O=C(O)CC1CCOC1 MCULE-9171332464 [1,0,0,1,0,0|0,0,0]=2 623 B9R1.13 O=C(O)CC1CCSS1 MCULE-4893716992 [1,0,0,1,0,0|0,2,0]=4 624 B9R1.13 O=C(O)CC1OCCO1 MCULE-2253063465 [1,0,0,1,0,0|2,0,0]=4 625 B9R1.13 O=C(O)CN1CCCC1 MCULE-3979513963 [1,0,0,1,0,0|2,0,0]=4 626 B9R1.13 O=C(O)CN1CCCC1 MCULE-4046939568 [1,0,0,1,0,0|2,0,0]=4 627 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-3034711788 [1,0,0,1,0,0|2,0,0]=4 628 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-8632270998 [1,0,0,1,0,0|2,0,0]=4 629 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-9053746158 [1,0,0,1,0,0|2,0,0]=4 630 B9R1.13 O=C(O)C[C@@H]1CCCO1 MCULE-6652130024 [1,0,0,1,0,0|1,0,0]=3 631 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-1313399028 [1,0,0,1,0,0|1,0,0]=3 632 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-3013411353 [1,0,0,1,0,0|1,0,0]=3 633 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4082052328 [1,0,0,1,0,0|1,0,0]=3 634 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4709831049 [1,0,0,1,0,0|1,0,0]=3 635 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-2630690308 [1,0,0,1,0,0|0,0,0]=2 636 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-6148582776 [1,0,0,1,0,0|0,0,0]=2 637 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-1934097379 [1,0,0,1,0,0|2,0,0]=4 638 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-3129569449 [1,0,0,1,0,0|2,0,0]=4 639 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-8499782890 [1,0,0,1,0,0|2,0,0]=4 640 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-9712071738 [1,0,0,1,0,0|2,0,0]=4 641 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-3712345326 [1,0,0,1,0,0|1,0,0]=3 642 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-4882389427 [1,0,0,1,0,0|1,0,0]=3 643 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-5390328422 [1,0,0,1,0,0|1,0,0]=3 644 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-8402835022 [1,0,0,1,0,0|1,0,0]=3 645 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-3521696581 [1,0,0,1,0,0|0,0,0]=2 646 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-6096956796 [1,0,0,1,0,0|0,0,0]=2 647 B9R1.13 [C@H]1(CCCN1)CC(=O)O MCULE-6368276149 [1,0,0,1,0,0|2,0,0]=4 648 B9R1.22 CC1CC(=O)NC1CO MCULE-1890923185 [1,0,0,1,0,0|1,0,0]=3 649 B9R1.22 C[C@@H]1CC(=O)N[C@@H]1CO MCULE-7022189173 [1,0,0,1,0,0|1,0,0]=3 650 B9R1.22 C[C@@H]1CC(=O)N[C@H]1CO MCULE-2239273281 [1,0,0,1,0,0|1,0,0]=3 651 B9R1.22 C[C@H]1CC(=O)N[C@@H]1CO MCULE-6299915210 [1,0,0,1,0,0|1,0,0]=3 652 B9R1.22 C[C@H]1CC(=O)N[C@H]1CO MCULE-9870605893 [1,0,0,1,0,0|1,0,0]=3 653 B9R1.22 O=C1CC(C(O1)CO)O MCULE-1210550303 [1,0,0,1,0,0|0,0,0]=2 654 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-2550191764 [1,0,0,1,0,0|0,0,0]=2 655 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-3529189398 [1,0,0,1,0,0|0,0,0]=2 656 B9R1.22 OCC1OC(CC1O)O MCULE-1321369472 [1,0,0,1,0,0|0,0,2]=4 657 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-2396008864 [1,0,0,1,0,0|0,0,2]=4 658 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-3186725991 [1,0,0,1,0,0|0,0,2]=4 659 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-8127322430 [1,0,0,1,0,0|0,0,2]=4 660 B9R1.22 OC[C@H]1OC(C[C@@H]1O)O MCULE-5678157789 [1,0,0,1,0,0|0,0,2]=4 661 B9R1.22 [C@@H]1(CC(=O)O[C@@H]1CO)O MCULE-1905436889 [1,0,0,1,0,0|0,0,0]=2 662 B9R1.34 CC1CC(=O)CC(C1)C MCULE-7560602452 [1,0,0,1,0,0|2,0,0]=4 663 B9R1.34 CC1CC(=O)OC(=O)C1 MCULE-7493778576 [1,0,0,1,0,0|0,0,2]=4 664 B9R1.34 O[C@H]1C[C@H](C[C@H](C1)O)O MCULE-2452108451 [1,0,0,1,0,0|1,0,1]=4 665 B9R1.41 C1(CCCN1C)C(=O)O MCULE-7988130618 [1,0,0,1,0,0|2,0,0]=4 666 B9R1.41 CC1CCCC1C(=O)O MCULE-5150428001 [1,0,0,1,0,0|1,0,0]=3 667 B9R1.41 CC1CCNC1C(=O)O MCULE-3835684911 [1,0,0,1,0,0|1,0,0]=3 668 B9R1.41 CC1CCNC1C(=O)O MCULE-8361777649 [1,0,0,1,0,0|1,0,0]=3 669 B9R1.41 CC1CNCC1C(=O)O MCULE-1581522558 [1,0,0,1,0,0|2,0,0]=4 670 B9R1.41 CC1CNCC1C(=O)O MCULE-6848551085 [1,0,0,1,0,0|2,0,0]=4 671 B9R1.41 CC1NCCC1C(=O)O MCULE-5042669811 [1,0,0,1,0,0|2,0,0]=4 672 B9R1.41 CC1NCCC1C(=O)O MCULE-8546677468 [1,0,0,1,0,0|2,0,0]=4 673 B9R1.41 CC1OCCC1C(=O)O MCULE-4181521736 [1,0,0,1,0,0|2,0,0]=4 674 B9R1.41 CN1CCCC1C(=O)O MCULE-4884381644 [1,0,0,1,0,0|2,0,0]=4 675 B9R1.41 CN1CCCC1C(=O)O MCULE-6241162207 [1,0,0,1,0,0|2,0,0]=4 676 B9R1.41 CN1CCCC1C(=O)O MCULE-7232060205 [1,0,0,1,0,0|2,0,0]=4 677 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-3947573313 [1,0,0,1,0,0|2,0,0]=4 678 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-4168419254 [1,0,0,1,0,0|2,0,0]=4 679 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-6504349835 [1,0,0,1,0,0|2,0,0]=4 680 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-9943329201 [1,0,0,1,0,0|2,0,0]=4 681 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-1661156416 [1,0,0,1,0,0|2,0,0]=4 682 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-2535799805 [1,0,0,1,0,0|2,0,0]=4 683 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-3283459585 [1,0,0,1,0,0|2,0,0]=4 684 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-5506159927 [1,0,0,1,0,0|2,0,0]=4 685 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O MCULE-6239309390 [1,0,0,1,0,0|1,0,0]=3 686 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-1608471752 [1,0,0,1,0,0|1,0,0]=3 687 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-2896759092 [1,0,0,1,0,0|1,0,0]=3 688 B9R1.41 C[C@@H]1CCO[C@H]1C(=O)O MCULE-5338216485 [1,0,0,1,0,0|0,0,0]=2 689 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-3425733853 [1,0,0,1,0,0|2,0,0]=4 690 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-5424989009 [1,0,0,1,0,0|2,0,0]=4 691 B9R1.41 C[C@@H]1NCC[C@@H]1C(=O)O MCULE-1674735474 [1,0,0,1,0,0|2,0,0]=4 692 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-8959062032 [1,0,0,1,0,0|2,0,0]=4 693 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-9340754868 [1,0,0,1,0,0|2,0,0]=4 694 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4624227681 [1,0,0,1,0,0|2,0,0]=4 695 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4653588182 [1,0,0,1,0,0|2,0,0]=4 696 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-1694933393 [1,0,0,1,0,0|1,0,0]=3 697 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-9088637113 [1,0,0,1,0,0|1,0,0]=3 698 B9R1.41 C[C@H]1CCN[C@H]1C(=O)O MCULE-1449988566 [1,0,0,1,0,0|1,0,0]=3 699 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-3190006541 [1,0,0,1,0,0|2,0,0]=4 700 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-7835079063 [1,0,0,1,0,0|2,0,0]=4 701 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-1189864899 [1,0,0,1,0,0|2,0,0]=4 702 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-8012665255 [1,0,0,1,0,0|2,0,0]=4 703 B9R1.41 NC(=O)C1NCCC1O MCULE-1947851170 [1,0,0,1,0,0|2,0,0]=4 704 B9R1.41 NC(=O)C1NCCC1O MCULE-8983481897 [1,0,0,1,0,0|2,0,0]=4 705 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1O MCULE-7290076922 [1,0,0,1,0,0|2,0,0]=4 706 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-1119399523 [1,0,0,1,0,0|2,0,0]=4 707 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-4733398267 [1,0,0,1,0,0|2,0,0]=4 708 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8085547151 [1,0,0,1,0,0|2,0,0]=4 709 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8491779714 [1,0,0,1,0,0|2,0,0]=4 710 B9R1.41 NC1CCCC1C(=O)O MCULE-4916984038 [1,0,0,1,0,0|2,0,0]=4 711 B9R1.41 NC1CCCC1C(=O)O MCULE-7220342321 [1,0,0,1,0,0|2,0,0]=4 712 B9R1.41 NC1CCNC1C(=O)O MCULE-3789976956 [1,0,0,1,0,0|2,0,0]=4 713 B9R1.41 NC1CCNC1C(=O)O MCULE-5356536056 [1,0,0,1,0,0|2,0,0]=4 714 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-3446631182 [1,0,0,1,0,0|2,0,0]=4 715 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-4537266002 [1,0,0,1,0,0|2,0,0]=4 716 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9091292908 [1,0,0,1,0,0|2,0,0]=4 717 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9780104108 [1,0,0,1,0,0|2,0,0]=4 718 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-1397305924 [1,0,0,1,0,0|2,0,0]=4 719 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-5447983159 [1,0,0,1,0,0|2,0,0]=4 720 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-6345808896 [1,0,0,1,0,0|2,0,0]=4 721 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-7658809060 [1,0,0,1,0,0|2,0,0]=4 722 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-1080605796 [1,0,0,1,0,0|2,0,0]=4 723 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5666272526 [1,0,0,1,0,0|2,0,0]=4 724 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5723263979 [1,0,0,1,0,0|2,0,0]=4 725 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-6574312344 [1,0,0,1,0,0|2,0,0]=4 726 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-5128495564 [1,0,0,1,0,0|2,0,0]=4 727 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-7721875754 [1,0,0,1,0,0|2,0,0]=4 728 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-8287396944 [1,0,0,1,0,0|2,0,0]=4 729 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9470915806 [1,0,0,1,0,0|2,0,0]=4 730 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9776724097 [1,0,0,1,0,0|2,0,0]=4 731 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9997148303 [1,0,0,1,0,0|2,0,0]=4 732 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-1768949677 [1,0,0,1,0,0|2,0,0]=4 733 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-2999200875 [1,0,0,1,0,0|2,0,0]=4 734 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-4735278058 [1,0,0,1,0,0|2,0,0]=4 735 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-7501259126 [1,0,0,1,0,0|2,0,0]=4 736 B9R1.41 O=C(O)C1CCCC1O MCULE-5519958446 [1,0,0,1,0,0|1,0,0]=3 737 B9R1.41 O=C(O)C1CNCC1O MCULE-4948062518 [1,0,0,1,0,0|2,0,0]=4 738 B9R1.41 O=C(O)C1CNCC1O MCULE-8113161890 [1,0,0,1,0,0|2,0,0]=4 739 B9R1.41 O=C(O)C1NCCC1F MCULE-2108063646 [1,0,0,1,0,0|2,0,0]=4 740 B9R1.41 O=C(O)C1NCCC1F MCULE-6901343291 [1,0,0,1,0,0|2,0,0]=4 741 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [1,0,0,1,0,0|1,0,0]=3 742 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [1,0,0,1,0,0|1,0,0]=3 743 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [1,0,0,1,0,0|1,0,0]=3 744 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-3174474393 [1,0,0,1,0,0|2,0,0]=4 745 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-5151888407 [1,0,0,1,0,0|2,0,0]=4 746 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [1,0,0,1,0,0|1,0,0]=3 747 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [1,0,0,1,0,0|1,0,0]=3 748 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [1,0,0,1,0,0|1,0,0]=3 749 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [1,0,0,1,0,0|1,0,0]=3 750 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [1,0,0,1,0,0|1,0,0]=3 751 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7001095632 [1,0,0,1,0,0|2,0,0]=4 752 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7931619369 [1,0,0,1,0,0|2,0,0]=4 753 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [1,0,0,1,0,0|1,0,0]=3 754 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [1,0,0,1,0,0|1,0,0]=3 755 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [1,0,0,1,0,0|1,0,0]=3 756 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [1,0,0,1,0,0|1,0,0]=3 757 B9R1.41 O=C(O)[C@@H]1[NH2+]CC[C@@H]1O MCULE-4350473030 [1,0,0,1,0,0|1,0,0]=3 758 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O MCULE-7220456005 [1,0,0,1,0,0|1,0,0]=3 759 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-1175817797 [1,0,0,1,0,0|2,0,0]=4 760 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-5823079222 [1,0,0,1,0,0|2,0,0]=4 761 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-6437141041 [1,0,0,1,0,0|2,0,0]=4 762 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-8496599400 [1,0,0,1,0,0|2,0,0]=4 763 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [1,0,0,1,0,0|1,0,0]=3 764 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [1,0,0,1,0,0|1,0,0]=3 765 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [1,0,0,1,0,0|1,0,0]=3 766 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F MCULE-8117073613 [1,0,0,1,0,0|2,0,0]=4 767 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [1,0,0,1,0,0|1,0,0]=3 768 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [1,0,0,1,0,0|1,0,0]=3 769 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [1,0,0,1,0,0|1,0,0]=3 770 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [1,0,0,1,0,0|1,0,0]=3 771 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [1,0,0,1,0,0|1,0,0]=3 772 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [1,0,0,1,0,0|1,0,0]=3 773 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [1,0,0,1,0,0|1,0,0]=3 774 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [1,0,0,1,0,0|1,0,0]=3 775 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [1,0,0,1,0,0|1,0,0]=3 776 B9R1.44 CC1(CC1F)CC(=O)O MCULE-2399259815 [1,0,0,1,0,0|1,0,0]=3 777 B9R1.48 CC1CCCCC(=O)C1 MCULE-5791948972 [1,0,0,1,0,0|2,0,0]=4 778 B9R1.48 O=C1CC(CCCN1)O MCULE-6648954515 [1,0,0,1,0,0|2,0,0]=4 779 B9R1.52 CC1CN(C1C(=O)O)C MCULE-8572324743 [1,0,0,1,0,0|2,0,0]=4 780 B9R1.52 CC1CN([C@@H]1C(=O)O)C MCULE-1157987768 [1,0,0,1,0,0|2,0,0]=4 781 B9R1.52 CC1CN([C@@H]1C(=O)O)C MCULE-2203210701 [1,0,0,1,0,0|2,0,0]=4 782 B9R1.52 C[C@@H]1CN([C@@H]1C(=O)O)C MCULE-7173137112 [1,0,0,1,0,0|2,0,0]=4 783 B9R1.53 CC1CC(C1)CC(=O)O MCULE-1823232756 [1,0,0,1,0,0|1,0,0]=3 784 B9R1.53 CN1CC(C1)CC(=O)O MCULE-6114587935 [1,0,0,1,0,0|2,0,0]=4 785 B9R1.53 CN1CC(C1)CC(=O)O MCULE-6524445855 [1,0,0,1,0,0|2,0,0]=4 786 B9R1.53 NC(=O)CC1CC(C1)N MCULE-4414712655 [1,0,0,1,0,0|2,0,0]=4 787 B9R1.53 NC(=O)CC1CC(C1)N MCULE-6104457108 [1,0,0,1,0,0|2,0,0]=4 788 B9R1.53 NC1CC(C1)CC(=O)O MCULE-1535901081 [1,0,0,1,0,0|1,0,0]=3 789 B9R1.53 NC1CC(C1)CC(=O)O MCULE-4536482207 [1,0,0,1,0,0|1,0,0]=3 790 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-2333675175 [1,0,0,1,0,0|1,0,0]=3 791 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-3710409300 [1,0,0,1,0,0|1,0,0]=3 792 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-1039324799 [1,0,0,1,0,0|1,0,0]=3 793 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-3309485111 [1,0,0,1,0,0|1,0,0]=3 794 B9R1.53 O=C(O)CC1CC(=O)C1 MCULE-5236898540 [1,0,0,1,0,0|0,0,2]=4 795 B9R1.53 O=C(O)CC1CC(C1)F MCULE-2736771844 [1,0,0,1,0,0|1,0,0]=3 796 B9R1.59 CCCC1CC1C(=O)O MCULE-5011491615 [1,0,0,1,0,0|1,0,0]=3 797 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O MCULE-8208745989 [1,0,0,1,0,0|1,0,0]=3 798 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O MCULE-1448060038 [1,0,0,1,0,0|1,0,0]=3 799 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O MCULE-6634735984 [1,0,0,1,0,0|1,0,0]=3 800 B9R1.59 CCOC1CC1C(=O)O MCULE-2083001018 [1,0,0,1,0,0|2,0,0]=4 801 B9R1.59 CCO[C@@H]1C[C@H]1C(=O)O MCULE-4372225112 [1,0,0,1,0,0|2,0,0]=4 802 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O MCULE-5085446325 [1,0,0,1,0,0|2,0,0]=4 803 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O MCULE-9183962958 [1,0,0,1,0,0|2,0,0]=4 804 B9R1.86 CCC1CC1CC(=O)O MCULE-9659162510 [1,0,0,1,0,0|1,0,0]=3 805 B9R1.137 CC(CC(=O)O)C1CC1 MCULE-6791529668 [1,0,0,1,0,0|1,0,0]=3 806 B9R1.137 CN(CC(=O)O)C1CC1 MCULE-7502980024 [1,0,0,1,0,0|2,0,0]=4 807 B9R1.137 NC(CC(=O)O)C1CC1 MCULE-8804808816 [1,0,0,1,0,0|2,0,0]=4 808 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9237422000 [1,0,0,1,0,0|2,0,0]=4 809 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9835342571 [1,0,0,1,0,0|2,0,0]=4 810 B9R1.171 CC(=O)CC1(CCC1)O MCULE-9059999179 [1,0,0,1,0,0|2,0,0]=4 811 B9R1.171 CC1(CCC1)CC(=O)O MCULE-7933536922 [1,0,0,1,0,0|1,0,0]=3 812 B9R1.171 CC1(COC1)CC(=O)O MCULE-6717906096 [1,0,0,1,0,0|2,0,0]=4 813 B9R1.171 NC1(CCC1)CC(=O)O MCULE-2268387352 [1,0,0,1,0,0|2,0,0]=4 814 B9R1.171 NC1(CCC1)CC(=O)O MCULE-7887308813 [1,0,0,1,0,0|2,0,0]=4 815 B9R1.171 O=C(O)CC1(CCC1)O MCULE-4697861595 [1,0,0,1,0,0|1,0,0]=3 816 B9R1.24 CC1(CCOC1C=O)C MCULE-9559919142 [1,0,0,1,0,0|1,0,0]=3 817 B9R1.36 CC1(CC(C(=O)N1)O)C MCULE-6193972218 [1,0,0,1,0,0|2,0,0]=4 818 B9R1.36 CC1CC(CC1=O)(C)C MCULE-2251251242 [1,0,0,1,0,0|2,0,0]=4 819 B9R1.109 CC(C)(CC=O)C1CC1 MCULE-4987633259 [1,0,0,1,0,0|2,0,0]=4 820 B9R1.134 CC1(OCCO1)CC=O MCULE-4291048527 [1,0,0,1,0,0|2,0,0]=4 821 B9R1.134 NC1(CCOC1)CCO MCULE-4522691616 [1,0,0,1,0,0|1,0,1]=4 822 B9R1.134 NCCC1(CCOC1)O MCULE-8536689384 [1,0,0,1,0,0|1,0,1]=4 823 B9R1.134 OCCC1(CCCC1)O MCULE-4832877397 [1,0,0,1,0,0|1,0,1]=4 824 B9R1.182 OCCC1(CC1)CCO MCULE-6847192403 [1,0,0,1,0,0|1,0,1]=4 825 B9R1.125 CC1(CC(=NO1)Cl)CO MCULE-8557468581 [1,0,0,1,0,0|2,0,0]=4 826 B9R1.125 CC1(CNC(=O)C1)CO MCULE-1633429143 [1,0,0,1,0,0|2,0,0]=4 827 B9R1.125 CC1(COC(=O)C1)CO MCULE-2278000717 [1,0,0,1,0,0|1,0,0]=3 828 B9R1.125 CC1(COC(=O)N1)CO MCULE-7873521103 [1,0,0,1,0,0|2,0,0]=4 829 B9R1.125 CCC1(CNC(=O)C1)C MCULE-9614797023 [1,0,0,1,0,0|2,0,0]=4 830 B9R1.127 CCC1(CC1C(=O)O)C MCULE-5907126944 [1,0,0,1,0,0|1,0,0]=3 831 B9R1.128 COC1(CC1)CC(=O)O MCULE-1379689122 [1,0,0,1,0,0|2,0,0]=4 832 B9R1.128 NCC1(CC1)CC(=O)O MCULE-5672358915 [1,0,0,1,0,0|2,0,0]=4 833 B9R1.128 NCC1(CC1)CC(=O)O MCULE-9536586933 [1,0,0,1,0,0|2,0,0]=4 834 B9R1.128 O=C(O)CC1(CC1)CO MCULE-8706737331 [1,0,0,1,0,0|1,0,0]=3 835 B9R1.128 O=C(O)CC1(CC1)CS MCULE-2805511819 [1,0,0,1,0,0|1,1,0]=4 836 B9R1.146 CC1(CCS(=O)(=O)C1)O MCULE-8229668499 [1,0,0,1,0,0|1,0,1]=4 837 B9R1.166 C1(NCC1(C)C)C(=O)O MCULE-8091738282 [1,0,0,1,0,0|2,0,0]=4 838 B9R1.166 CC1(CCC1C(=O)O)C MCULE-4099946993 [1,0,0,1,0,0|1,0,0]=3 839 B9R1.166 CC1(CNC1C(=O)O)C MCULE-8386082188 [1,0,0,1,0,0|2,0,0]=4 840 B9R1.166 CC1(CNC1C(=O)O)C MCULE-9067770862 [1,0,0,1,0,0|2,0,0]=4 841 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-3707363843 [1,0,0,1,0,0|2,0,0]=4 842 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-5671349948 [1,0,0,1,0,0|2,0,0]=4 843 B9R1.166 CC1(CN[C@H]1C(=O)O)C MCULE-3480839319 [1,0,0,1,0,0|2,0,0]=4 844 B9R1.166 O=C(O)C1CCC1(F)F MCULE-5646109920 [1,0,0,1,0,0|2,0,0]=4 845 B9R1.166 O=C(O)[C@@H]1CCC1(F)F MCULE-1777760238 [1,0,0,1,0,0|2,0,0]=4 846 B9R1.166 O=C(O)[C@H]1CCC1(F)F MCULE-9140397233 [1,0,0,1,0,0|2,0,0]=4 847 B9R1.40 CC1(CCCOC1=O)C MCULE-9200729474 [0,0,0,1,1,0|2,0,0]=4 848 B9R1.40 CC1(CCOCC1O)O MCULE-9069325911 [0,0,0,1,1,0|1,0,1]=4 849 B9R1.40 C[C@@]1(CCOC[C@H]1O)O MCULE-3803598208 [0,0,0,1,1,0|1,0,1]=4 850 B9R1.93 CCC1CC1(N)C(=O)O MCULE-5139419329 [0,0,0,1,1,0|2,0,0]=4 851 B9R1.152 C=C1CC(C1)(O)C(=O)O MCULE-9531189314 [0,0,0,1,1,0|1,0,1]=4 852 B9R1.152 CC1(CC(C1)N)C(=O)O MCULE-2576475336 [0,0,0,1,1,0|2,0,0]=4 853 B9R1.152 CC1(CC(C1)N)C(=O)O MCULE-6535558159 [0,0,0,1,1,0|2,0,0]=4 854 B9R1.152 CC1CC(C1)(C)C(=O)O MCULE-6119301322 [0,0,0,1,1,0|2,0,0]=4 855 B9R1.152 C[C@@]1(C[C@@H](C1)N)C(=O)O MCULE-4599601598 [0,0,0,1,1,0|2,0,0]=4 856 B9R1.152 C[C@@]1(C[C@@H](C1)N)C(=O)O MCULE-4763611062 [0,0,0,1,1,0|2,0,0]=4 857 B9R1.152 C[C@@]1(C[C@H](C1)N)C(=O)O MCULE-2054460365 [0,0,0,1,1,0|2,0,0]=4 858 B9R1.152 C[C@@]1(C[C@H](C1)N)C(=O)O MCULE-8615255294 [0,0,0,1,1,0|2,0,0]=4 859 B9R1.152 C[C@H]1C[C@@](C1)(N)C(=O)O MCULE-7807418833 [0,0,0,1,1,0|2,0,0]=4 860 B9R1.152 C[C@H]1C[C@](C1)(N)C(=O)O MCULE-2634950955 [0,0,0,1,1,0|2,0,0]=4 861 B9R1.152 NC1(CC(C1)F)C(=O)O MCULE-5206815009 [0,0,0,1,1,0|2,0,0]=4 862 B9R1.152 NC1(CC(C1)F)C(=O)O MCULE-9944960595 [0,0,0,1,1,0|2,0,0]=4 863 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8304595021 [0,0,0,1,1,0|1,0,0]=3 864 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8353432396 [0,0,0,1,1,0|1,0,0]=3 865 B9R1.152 NC1CC(C1)(F)C(=O)O MCULE-8174066741 [0,0,0,1,1,0|2,0,0]=4 866 B9R1.152 N[C@@]1(C[C@@H](C1)F)C(=O)O MCULE-3535102578 [0,0,0,1,1,0|2,0,0]=4 867 B9R1.152 N[C@@]1(C[C@@H](C1)O)C(=O)O MCULE-3919423791 [0,0,0,1,1,0|1,0,0]=3 868 B9R1.152 N[C@@]1(C[C@H](C1)F)C(=O)O MCULE-4417403698 [0,0,0,1,1,0|2,0,0]=4 869 B9R1.152 O=C(O)C1(CC(C1)O)O MCULE-4321795643 [0,0,0,1,1,0|0,0,0]=2 870 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)F MCULE-1599041261 [0,0,0,1,1,0|1,0,0]=3 871 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)O MCULE-3005775021 [0,0,0,1,1,0|0,0,0]=2 872 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)F MCULE-8929901678 [0,0,0,1,1,0|1,0,0]=3 873 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)O MCULE-2152193030 [0,0,0,1,1,0|0,0,0]=2 874 B9R1.163 CC(=O)C1(CCCC1)O MCULE-4607553416 [0,0,0,1,1,0|2,0,0]=4 875 B9R1.163 CC(=O)C1(CCCO1)C MCULE-3832225855 [0,0,0,1,1,0|2,0,0]=4 876 B9R1.163 CC1(C=CCC1)C(=O)O MCULE-5900825388 [0,0,0,1,1,0|2,0,0]=4 877 B9R1.163 CC1(CCCC1)C(=O)O MCULE-8150530718 [0,0,0,1,1,0|2,0,0]=4 878 B9R1.163 CC1(CCCN1)C(=O)O MCULE-2669113714 [0,0,0,1,1,0|2,0,0]=4 879 B9R1.163 CC1(CCCN1)C(=O)O MCULE-3184723558 [0,0,0,1,1,0|2,0,0]=4 880 B9R1.163 CC1(CCCN1)C(=O)O MCULE-5494365974 [0,0,0,1,1,0|2,0,0]=4 881 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9532642299 [0,0,0,1,1,0|2,0,0]=4 882 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9805069526 [0,0,0,1,1,0|2,0,0]=4 883 B9R1.163 CC1(CCCO1)C(=O)O MCULE-9576233735 [0,0,0,1,1,0|1,0,0]=3 884 B9R1.163 CC1(CCCS1)C(=O)O MCULE-3409370715 [0,0,0,1,1,0|1,1,0]=4 885 B9R1.163 CC1(CCNC1)C(=O)O MCULE-2715430873 [0,0,0,1,1,0|2,0,0]=4 886 B9R1.163 CC1(CCNC1)C(=O)O MCULE-4084355022 [0,0,0,1,1,0|2,0,0]=4 887 B9R1.163 CC1(CCOC1)C(=O)O MCULE-6893882009 [0,0,0,1,1,0|1,0,0]=3 888 B9R1.163 CC1(OCCO1)C(=O)O MCULE-6576803543 [0,0,0,1,1,0|2,0,0]=4 889 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-2607591453 [0,0,0,1,1,0|2,0,0]=4 890 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-6141960789 [0,0,0,1,1,0|2,0,0]=4 891 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-7011144386 [0,0,0,1,1,0|2,0,0]=4 892 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-8922118927 [0,0,0,1,1,0|2,0,0]=4 893 B9R1.163 C[C@@]1(CCCO1)C(=O)O MCULE-5169117592 [0,0,0,1,1,0|1,0,0]=3 894 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3070355045 [0,0,0,1,1,0|2,0,0]=4 895 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3719506215 [0,0,0,1,1,0|2,0,0]=4 896 B9R1.163 C[C@@]1(CCOC1)C(=O)O MCULE-5585882923 [0,0,0,1,1,0|1,0,0]=3 897 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-6724020872 [0,0,0,1,1,0|2,0,0]=4 898 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-7675502884 [0,0,0,1,1,0|2,0,0]=4 899 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-8343149548 [0,0,0,1,1,0|2,0,0]=4 900 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-9260269719 [0,0,0,1,1,0|2,0,0]=4 901 B9R1.163 C[C@]1(CCCO1)C(=O)O MCULE-3910400790 [0,0,0,1,1,0|1,0,0]=3 902 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-1423230640 [0,0,0,1,1,0|2,0,0]=4 903 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-7327407576 [0,0,0,1,1,0|2,0,0]=4 904 B9R1.163 NC(=O)C1(CCCC1)O MCULE-7750018506 [0,0,0,1,1,0|2,0,0]=4 905 B9R1.163 NC(=O)C1(CCNC1)O MCULE-3402125568 [0,0,0,1,1,0|2,0,0]=4 906 B9R1.163 NC(=O)C1(CCNC1)O MCULE-4107989965 [0,0,0,1,1,0|2,0,0]=4 907 B9R1.163 NC(=O)C1(CCSC1)O MCULE-2351837625 [0,0,0,1,1,0|1,1,0]=4 908 B9R1.163 NC1(CCCC1)C(=O)O MCULE-6366286422 [0,0,0,1,1,0|2,0,0]=4 909 B9R1.163 NC1(CCNC1)C(=O)O MCULE-1061035749 [0,0,0,1,1,0|2,0,0]=4 910 B9R1.163 NC1(CCOC1)C(=O)O MCULE-1020331216 [0,0,0,1,1,0|1,0,0]=3 911 B9R1.163 NC1(CCOC1)C(=O)O MCULE-3239849151 [0,0,0,1,1,0|1,0,0]=3 912 B9R1.163 NC1(CCOC1)C(=O)O MCULE-7635316557 [0,0,0,1,1,0|1,0,0]=3 913 B9R1.163 NC1(CCSC1)C(=O)O MCULE-2866413498 [0,0,0,1,1,0|1,1,0]=4 914 B9R1.163 NC1(CCSC1)C(=O)O MCULE-3077570702 [0,0,0,1,1,0|1,1,0]=4 915 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-4940789798 [0,0,0,1,1,0|1,0,0]=3 916 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-9120207414 [0,0,0,1,1,0|1,0,0]=3 917 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-3449072625 [0,0,0,1,1,0|1,1,0]=4 918 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-6533506498 [0,0,0,1,1,0|1,1,0]=4 919 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-5112163951 [0,0,0,1,1,0|2,0,0]=4 920 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-7065442028 [0,0,0,1,1,0|2,0,0]=4 921 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-6757422211 [0,0,0,1,1,0|1,0,0]=3 922 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-8786481856 [0,0,0,1,1,0|1,0,0]=3 923 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1832449395 [0,0,0,1,1,0|1,1,0]=4 924 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1974139646 [0,0,0,1,1,0|1,1,0]=4 925 B9R1.163 O=C(O)C1(CCCC1)Br MCULE-3131005284 [0,0,0,1,1,0|2,0,0]=4 926 B9R1.163 O=C(O)C1(CCCC1)F MCULE-4282263280 [0,0,0,1,1,0|2,0,0]=4 927 B9R1.163 O=C(O)C1(CCCC1)O MCULE-2147028492 [0,0,0,1,1,0|1,0,0]=3 928 B9R1.163 O=C(O)C1(CCNC1)F MCULE-3943818123 [0,0,0,1,1,0|2,0,0]=4 929 B9R1.163 O=C(O)C1(CCNC1)F MCULE-9385624346 [0,0,0,1,1,0|2,0,0]=4 930 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5890399768 [0,0,0,1,1,0|1,0,0]=3 931 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5910869185 [0,0,0,1,1,0|1,0,0]=3 932 B9R1.163 O=C(O)C1(CCOC1)F MCULE-5718551369 [0,0,0,1,1,0|1,0,0]=3 933 B9R1.163 O=C(O)C1(CCOC1)O MCULE-8834969992 [0,0,0,1,1,0|0,0,0]=2 934 B9R1.163 O=C(O)C1(CCSC1)O MCULE-7477879136 [0,0,0,1,1,0|0,1,0]=3 935 B9R1.163 O=C(O)[C@@]1(CCNC1)F MCULE-8296048165 [0,0,0,1,1,0|2,0,0]=4 936 B9R1.165 CC(C)(C(=O)O)C1CC1 MCULE-6388172792 [0,0,0,1,1,0|2,0,0]=4 937 B9R1.165 CC(N)(C(=O)O)C1CC1 MCULE-5305811185 [0,0,0,1,1,0|2,0,0]=4 938 B9R1.165 CC(N)(C(=O)O)C1CC1 MCULE-5428190802 [0,0,0,1,1,0|2,0,0]=4 939 B9R1.165 CC(O)(C(=O)O)C1CC1 MCULE-4917199167 [0,0,0,1,1,0|1,0,0]=3 940 B9R1.179 CCCC1(CC1)C(=O)O MCULE-3737695448 [0,0,0,1,1,0|2,0,0]=4 941 B9R1.179 NCCC1(CC1)C(=O)O MCULE-1732909908 [0,0,0,1,1,0|2,0,0]=4 942 B9R1.179 NCCC1(CC1)C(=O)O MCULE-7079307522 [0,0,0,1,1,0|2,0,0]=4 943 B9R1.179 O=C(O)C1(CC1)CCCl MCULE-8895296339 [0,0,0,1,1,0|2,0,0]=4 944 B9R1.179 O=C(O)C1(CC1)CCF MCULE-7598361699 [0,0,0,1,1,0|2,0,0]=4 945 B9R1.179 O=C(O)C1(CC1)CCO MCULE-4706234979 [0,0,0,1,1,0|1,0,0]=3 946 B11R1.234 CC1(CCCC1CC(=O)O)C MCULE-1912808272 [0,0,0,1,0,1|2,0,0]=4 947 B11R1.234 CC1(CCCN1CC(=O)O)C MCULE-7697960791 [0,0,0,1,0,1|2,0,0]=4 948 B11R1.713 CC1(CCCC1)OCC(=O)O MCULE-7843154892 [0,0,0,1,0,1|2,0,0]=4 949 B11R1.713 CC1(CCCO1)C#CC(=O)O MCULE-6718298489 [0,0,0,1,0,1|1,0,1]=4 950 B11R1.713 CC1(OCCO1)CCC(=O)O MCULE-5002584754 [0,0,0,1,0,1|2,0,0]=4 951 B11R1.713 NC1(CCCC1)CCC(=O)O MCULE-4664971785 [0,0,0,1,0,1|2,0,0]=4 952 B11R1.730 CC1(CCC=C(C1)C(=O)O)C MCULE-7732020212 [0,0,0,1,0,1|2,0,0]=4 953 B11R1.730 CC1(CCCC(C1)C(=O)O)C MCULE-1597122526 [0,0,0,1,0,1|2,0,0]=4 954 B11R1.730 CC1(CCCC(O1)C(=O)O)C MCULE-6134883479 [0,0,0,1,0,1|2,0,0]=4 955 B11R1.730 CC1(CCNC(C1)C(=O)O)C MCULE-1186852121 [0,0,0,1,0,1|2,0,0]=4 956 B11R1.730 CC1(CCNC(C1)C(=O)O)C MCULE-5031883785 [0,0,0,1,0,1|2,0,0]=4 957 B11R1.1234 CCCC1(COC(=O)OC1)C MCULE-5479775760 [0,0,0,1,0,1|2,0,0]=4 958 B11R1.1234 O=C1CCC(CC1)(O)CCO MCULE-6845034407 [0,0,0,1,0,1|1,0,0]=3 959 B11R1.1234 OCC[C@@]1(CC[C@@H](CC1)O)O MCULE-8570362975 [0,0,0,1,0,1|1,0,1]=4 960 B11R1.1234 OCC[C@@]1(CC[C@H](CC1)O)O MCULE-2046557319 [0,0,0,1,0,1|1,0,1]=4 961 B11R1.928 CC1(CCCCC1)CC(=O)O MCULE-7882506747 [0,1,0,1,0,0|2,0,0]=4 962 B11R1.928 CC1(CCNCC1)CC(=O)O MCULE-5814680905 [0,1,0,1,0,0|2,0,0]=4 963 B11R1.928 CC1(CCNCC1)CC(=O)O MCULE-6867782906 [0,1,0,1,0,0|2,0,0]=4 964 B11R1.928 CC1(CCOCC1)CC(=O)O MCULE-4326857569 [0,1,0,1,0,0|1,0,0]=3 965 B11R1.928 NC(=O)CC1(CCOCC1)O MCULE-2274031774 [0,1,0,1,0,0|1,0,0]=3 966 B11R1.928 NC1(CCCCC1)CC(=O)O MCULE-1663310557 [0,1,0,1,0,0|2,0,0]=4 967 B11R1.928 NC1(CCCCC1)CC(=O)O MCULE-2879076377 [0,1,0,1,0,0|2,0,0]=4 968 B11R1.928 NC1(CCCOC1)CC(=O)O MCULE-5652559264 [0,1,0,1,0,0|1,0,0]=3 969 B11R1.928 NC1(CCCOC1)CC(=O)O MCULE-6139247914 [0,1,0,1,0,0|1,0,0]=3 970 B11R1.928 NC1(CCOCC1)CC(=O)O MCULE-1850281708 [0,1,0,1,0,0|1,0,0]=3 971 B11R1.928 NC1(CCOCC1)CC(=O)O MCULE-2706982629 [0,1,0,1,0,0|1,0,0]=3 972 B11R1.928 NC1(CCSCC1)CC(=O)O MCULE-9758860021 [0,1,0,1,0,0|1,1,0]=4 973 B11R1.928 O=C(O)CC1(CCCCC1)O MCULE-3422507323 [0,1,0,1,0,0|1,0,0]=3 974 B11R1.928 O=C(O)CC1(CCCOC1)O MCULE-4776333020 [0,1,0,1,0,0|0,0,0]=2 975 B11R1.928 O=C(O)CC1(CCNCC1)O MCULE-2683625220 [0,1,0,1,0,0|1,0,0]=3 976 B11R1.928 O=C(O)CC1(CCNCC1)O MCULE-8049713319 [0,1,0,1,0,0|1,0,0]=3 977 B11R1.928 O=C(O)CC1(CCOCC1)O MCULE-8349755612 [0,1,0,1,0,0|0,0,0]=2 978 B11R1.1062 NCC1(CCCC1)CC(=O)O MCULE-3599384170 [0,1,0,1,0,0|2,0,0]=4 979 B11R1.1062 NCC1(CCCC1)CC(=O)O MCULE-8108091315 [0,1,0,1,0,0|2,0,0]=4 980 B11R1.177 CC1(CCCCC1C(=O)O)C MCULE-4989852289 [0,1,0,1,0,0|2,0,0]=4 981 B11R1.177 CC1(CCCCC1C(=O)O)N MCULE-1044966713 [0,1,0,1,0,0|2,0,0]=4 982 B11R1.177 CC1(CCCCC1C(=O)O)N MCULE-6249137013 [0,1,0,1,0,0|2,0,0]=4 983 B11R1.177 CC1(CCCNC1C(=O)O)C MCULE-2919768330 [0,1,0,1,0,0|2,0,0]=4 984 B11R1.177 CC1(CCCNC1C(=O)O)C MCULE-3333782777 [0,1,0,1,0,0|2,0,0]=4 985 B11R1.177 CC1(CNCCC1C(=O)O)C MCULE-6439138928 [0,1,0,1,0,0|2,0,0]=4 986 B11R1.177 CC1(COCCC1C(=O)O)C MCULE-5824022501 [0,1,0,1,0,0|2,0,0]=4 987 B11R1.177 CC1(OCCOC1C(=O)O)C MCULE-8997848711 [0,1,0,1,0,0|1,0,0]=3 988 B11R1.177 CC1(OCCO[C@@H]1C(=O)O)C MCULE-6292978884 [0,1,0,1,0,0|1,0,0]=3 989 B11R1.177 CC1(SCCNC1C(=O)O)C MCULE-3784579016 [0,1,0,1,0,0|2,0,0]=4 990 B11R1.177 CC1(SCCN[C@@H]1C(=O)O)C MCULE-1576755405 [0,1,0,1,0,0|2,0,0]=4 991 B11R1.177 CC1(SCCN[C@@H]1C(=O)O)C MCULE-3460414431 [0,1,0,1,0,0|2,0,0]=4 992 B11R1.177 C[C@@]1(CCCC[C@H]1C(=O)O)N MCULE-6684164155 [0,1,0,1,0,0|2,0,0]=4 993 B11R1.177 C[C@]1(CCCC[C@@H]1C(=O)O)N MCULE-2495356747 [0,1,0,1,0,0|2,0,0]=4 994 B11R1.177 C[C@]1(CCCC[C@@H]1C(=O)O)N MCULE-4525597115 [0,1,0,1,0,0|2,0,0]=4 995 B11R1.177 O=C(O)C1COCCC1(F)F MCULE-7019190515 [0,1,0,1,0,0|2,0,0]=4 996 B11R1.1386 CC1(CCCC1(N)C(=O)O)C MCULE-4148753420 [0,1,0,1,0,0|2,0,0]=4 997 B11R1.38 CC1(NC(=O)COC1CO)C MCULE-3288390114 [0,1,0,1,0,0|2,0,0]=4 998 B11R1.227 COC(=O)C1NCCC1(C)C MCULE-5054412289 [0,1,0,1,0,0|2,0,0]=4 999 B11R1.227 COC(=O)C1NCCC1(C)C MCULE-9265026746 [0,1,0,1,0,0|2,0,0]=4 1000 B11R1.864 COC(=O)CC(C)(N)C1CC1 MCULE-6387865762 [0,1,0,1,0,0|2,0,0]=4 1001 B11R1.864 COC(=O)CC(C)(N)C1CC1 MCULE-8031866508 [0,1,0,1,0,0|2,0,0]=4 1002 B11R1.895 COC(=O)CC1(CCCC1)C MCULE-8574993078 [0,1,0,1,0,0|2,0,0]=4 1003 B11R1.895 COC(=O)CC1(CCCC1)N MCULE-7483456080 [0,1,0,1,0,0|2,0,0]=4 1004 B11R1.895 COC(=O)CC1(CCCC1)N MCULE-9875125262 [0,1,0,1,0,0|2,0,0]=4 1005 B11R1.895 COC(=O)CC1(CCCC1)O MCULE-5102238405 [0,1,0,1,0,0|1,0,0]=3 1006 B11R1.895 COC(=O)CC1(CCOC1)N MCULE-5625684436 [0,1,0,1,0,0|1,0,0]=3 1007 B11R1.732 CC1(C(C1C(=O)O)C(=O)O)C MCULE-7677624380 [0,1,0,1,0,0|1,0,1]=4 1008 B11R1.933 O=C(O)CC1(CC1)CC(=O)O MCULE-2240773943 [0,1,0,1,0,0|1,0,1]=4 1009 B11R2.142 O=C(O)C1CCCC12CC2 MCULE-6943092166 [0,0,0,2,0,0|2,0,0]=4 1010 B11R2.1632 CC1(CC(=O)C2OC2C1)C MCULE-7177289219 [0,0,0,2,0,0|2,0,0]=4 1011 B11R2.1671 OC1(CCOC1)CC2CO2 MCULE-9397172316 [0,0,0,2,0,0|1,0,1]=4 1012 B11R2.706 O=C(O)C1CC12CC(C2)O MCULE-2750457813 [0,0,0,2,0,0|1,0,0]=3 1013 B11R2.1884 CC12CC(C1)(C2)CC(=O)O MCULE-1257610917 [0,0,0,2,0,0|2,0,0]=4 1014 B11R2.1884 O=C(O)CC12CC(C1)(C2)F MCULE-9131099123 [0,0,0,2,0,0|2,0,0]=4 1015 B11R2.1834 CC1(CC1C(=O)O)C2CC2 MCULE-2836000514 [0,0,0,2,0,0|2,0,0]=4 1016 B11R2.141 O=C(O)C1CC12CCCC2 MCULE-6285352175 [0,0,0,2,0,0|2,0,0]=4 1017 B11R2.141 O=C(O)C1CC12CCNC2 MCULE-2677072658 [0,0,0,2,0,0|2,0,0]=4 1018 B11R2.141 O=C(O)C1CC12CCNC2 MCULE-5736595675 [0,0,0,2,0,0|2,0,0]=4 1019 B11R2.141 O=C(O)C1CC12CCOC2 MCULE-7542505431 [0,0,0,2,0,0|1,0,0]=3 1020 B11R2.141 O=C([O-])C1OC12CCCC2 MCULE-8368817721 [0,0,0,2,0,0|1,0,1]=4 1021 B11R2.141 O=C([O-])C1OC12CCCC2 MCULE-8669748315 [0,0,0,2,0,0|1,0,1]=4 1022 B11R2.748 O=C1CC2(CCOC2)CN1 MCULE-7822925803 [0,0,0,2,0,0|2,0,0]=4 1023 B11R2.748 O=C1COC2(C1)CCCC2 MCULE-7817661622 [0,0,0,2,0,0|2,0,0]=4 1024 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [1,0,0,0,1,0|1,0,1]=4 1025 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [1,0,0,0,1,0|1,0,1]=4 1026 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [1,0,0,0,1,0|0,0,2]=4 1027 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [1,0,0,0,1,0|1,0,1]=4 1028 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [1,0,0,0,1,0|1,0,1]=4 1029 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [1,0,0,0,1,0|1,0,1]=4 1030 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [1,0,0,0,1,0|1,0,1]=4 1031 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [1,0,0,0,1,0|2,0,0]=4 1032 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [1,0,0,0,1,0|2,0,0]=4 1033 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [1,0,0,0,1,0|1,0,0]=3 1034 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [1,0,0,0,1,0|2,0,0]=4 1035 B7R0.5 CC(=O)N(C)CCO MCULE-4135818139 [1,0,0,0,1,0|2,0,0]=4 1036 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [1,0,0,0,1,0|2,0,0]=4 1037 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [1,0,0,0,1,0|1,0,0]=3 1038 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [1,0,0,0,1,0|1,0,0]=3 1039 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [1,0,0,0,1,0|1,0,0]=3 1040 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,0,0,0,1,0|0,0,0]=2 1041 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [1,0,0,0,1,0|0,0,1]=3 1042 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [1,0,0,0,1,0|2,0,0]=4 1043 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [1,0,0,0,1,0|2,0,0]=4 1044 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [1,0,0,0,1,0|2,0,0]=4 1045 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [1,0,0,0,1,0|2,0,0]=4 1046 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [1,0,0,0,1,0|1,0,0]=3 1047 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [1,0,0,0,1,0|2,0,0]=4 1048 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [1,0,0,0,1,0|2,0,0]=4 1049 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [1,0,0,0,1,0|2,0,0]=4 1050 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [1,0,0,0,1,0|2,0,0]=4 1051 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [1,0,0,0,1,0|2,0,0]=4 1052 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [1,0,0,0,1,0|2,0,0]=4 1053 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,0,0,0,1,0|1,0,0]=3 1054 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,0,0,0,1,0|1,0,0]=3 1055 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [1,0,0,0,1,0|2,0,0]=4 1056 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [1,0,0,0,1,0|2,0,0]=4 1057 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,0,0,0,1,0|1,0,0]=3 1058 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [1,0,0,0,1,0|2,0,0]=4 1059 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [1,0,0,0,1,0|2,0,0]=4 1060 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [1,0,0,0,1,0|2,0,0]=4 1061 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [1,0,0,0,1,0|2,0,0]=4 1062 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,0,0,0,1,0|1,0,0]=3 1063 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,0,0,0,1,0|1,0,0]=3 1064 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [1,0,0,0,1,0|2,0,0]=4 1065 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [1,0,0,0,1,0|2,0,0]=4 1066 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [1,0,0,0,1,0|2,0,0]=4 1067 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [1,0,0,0,1,0|2,0,0]=4 1068 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [1,0,0,0,1,0|2,0,0]=4 1069 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [1,0,0,0,1,0|2,0,0]=4 1070 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [1,0,0,0,1,0|2,0,0]=4 1071 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [1,0,0,0,1,0|2,0,0]=4 1072 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [1,0,0,0,1,0|2,0,0]=4 1073 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [1,0,0,0,1,0|2,0,0]=4 1074 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [1,0,0,0,1,0|0,1,0]=3 1075 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [1,0,0,0,1,0|2,0,0]=4 1076 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [1,0,0,0,1,0|2,0,0]=4 1077 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [1,0,0,0,1,0|2,0,0]=4 1078 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [1,0,0,0,1,0|2,0,0]=4 1079 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [1,0,0,0,1,0|1,0,0]=3 1080 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [1,0,0,0,1,0|1,0,0]=3 1081 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [1,0,0,0,1,0|1,1,0]=4 1082 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [1,0,0,0,1,0|1,1,0]=4 1083 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [1,0,0,0,1,0|2,0,0]=4 1084 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [1,0,0,0,1,0|2,0,0]=4 1085 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [1,0,0,0,1,0|2,0,0]=4 1086 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [1,0,0,0,1,0|2,0,0]=4 1087 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [1,0,0,0,1,0|2,0,0]=4 1088 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [1,0,0,0,1,0|2,0,0]=4 1089 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [1,0,0,0,1,0|2,0,0]=4 1090 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [1,0,0,0,1,0|2,0,0]=4 1091 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [1,0,0,0,1,0|2,0,0]=4 1092 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [1,0,0,0,1,0|2,0,0]=4 1093 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,0,0,0,1,0|1,0,0]=3 1094 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,0,0,0,1,0|1,0,0]=3 1095 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [1,0,0,0,1,0|2,0,0]=4 1096 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [1,0,0,0,1,0|2,0,0]=4 1097 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [1,0,0,0,1,0|2,0,0]=4 1098 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [1,0,0,0,1,0|2,0,0]=4 1099 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,0,0,0,1,0|1,0,0]=3 1100 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [1,0,0,0,1,0|2,0,0]=4 1101 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [1,0,0,0,1,0|2,0,0]=4 1102 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [1,0,0,0,1,0|2,0,0]=4 1103 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [1,0,0,0,1,0|2,0,0]=4 1104 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [1,0,0,0,1,0|2,0,0]=4 1105 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [1,0,0,0,1,0|2,0,0]=4 1106 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [1,0,0,0,1,0|2,0,0]=4 1107 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [1,0,0,0,1,0|2,0,0]=4 1108 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [1,0,0,0,1,0|2,0,0]=4 1109 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,0,0,0,1,0|1,0,0]=3 1110 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,0,0,0,1,0|1,0,0]=3 1111 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [1,0,0,0,1,0|2,0,0]=4 1112 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [1,0,0,0,1,0|2,0,0]=4 1113 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [1,0,0,0,1,0|2,0,0]=4 1114 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [1,0,0,0,1,0|2,0,0]=4 1115 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [1,0,0,0,1,0|1,0,0]=3 1116 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [1,0,0,0,1,0|1,0,0]=3 1117 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [1,0,0,0,1,0|1,1,0]=4 1118 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [1,0,0,0,1,0|1,1,0]=4 1119 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [1,0,0,0,1,0|2,0,0]=4 1120 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [1,0,0,0,1,0|2,0,0]=4 1121 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [1,0,0,0,1,0|1,0,0]=3 1122 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [1,0,0,0,1,0|1,0,0]=3 1123 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [1,0,0,0,1,0|1,1,0]=4 1124 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [1,0,0,0,1,0|1,1,0]=4 1125 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [1,0,0,0,1,0|2,0,0]=4 1126 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,0,0,0,1,0|0,0,0]=2 1127 B7R0.13 C=CC(C)(O)C(=O)O MCULE-2362688567 [1,0,0,0,1,0|0,0,2]=4 1128 B7R0.13 CC(=O)C(C)(C)CO MCULE-7885820738 [1,0,0,0,1,0|2,0,0]=4 1129 B7R0.13 CC(Br)(CBr)C(=O)O MCULE-1859698457 [1,0,0,0,1,0|2,0,0]=4 1130 B7R0.13 CC(C)(CBr)C(=O)O MCULE-2715950010 [1,0,0,0,1,0|2,0,0]=4 1131 B7R0.13 CC(C)(CCl)C(=O)O MCULE-2346120215 [1,0,0,0,1,0|2,0,0]=4 1132 B7R0.13 CC(C)(CF)C(=O)O MCULE-5866229087 [1,0,0,0,1,0|2,0,0]=4 1133 B7R0.13 CC(C)(CN)C(=O)O MCULE-1750685187 [1,0,0,0,1,0|2,0,0]=4 1134 B7R0.13 CC(C)(CN)C(=O)O MCULE-7138204669 [1,0,0,0,1,0|2,0,0]=4 1135 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [1,0,0,0,1,0|1,0,0]=3 1136 B7R0.13 CC(Cl)(CCl)C(=O)O MCULE-9297172670 [1,0,0,0,1,0|2,0,0]=4 1137 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [1,0,0,0,1,0|1,0,0]=3 1138 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [1,0,0,0,1,0|1,0,0]=3 1139 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [1,0,0,0,1,0|1,1,0]=4 1140 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [1,0,0,0,1,0|1,1,0]=4 1141 B7R0.13 CC(O)(CBr)C(=O)O MCULE-4224343890 [1,0,0,0,1,0|1,0,0]=3 1142 B7R0.13 CC(O)(CBr)C(=O)O MCULE-5597565903 [1,0,0,0,1,0|1,0,0]=3 1143 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [1,0,0,0,1,0|0,0,0]=2 1144 B7R0.13 CCC(C)(Br)C(=O)Br MCULE-8711399189 [1,0,0,0,1,0|2,0,0]=4 1145 B7R0.13 CCC(C)(Br)C(=O)O MCULE-2564629085 [1,0,0,0,1,0|1,0,0]=3 1146 B7R0.13 CCC(C)(C)C(=O)C MCULE-3647111938 [1,0,0,0,1,0|2,0,0]=4 1147 B7R0.13 CCC(C)(C)C(=O)Cl MCULE-7950206740 [1,0,0,0,1,0|2,0,0]=4 1148 B7R0.13 CCC(C)(C)C(=O)O MCULE-2539552186 [1,0,0,0,1,0|1,0,0]=3 1149 B7R0.13 CCC(C)(N)C(=O)N MCULE-6399521661 [1,0,0,0,1,0|2,0,0]=4 1150 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [1,0,0,0,1,0|1,0,0]=3 1151 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [1,0,0,0,1,0|1,0,0]=3 1152 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [1,0,0,0,1,0|1,0,0]=3 1153 B7R0.13 CCC(C)(O)C(=O)C MCULE-5532598723 [1,0,0,0,1,0|1,0,0]=3 1154 B7R0.13 CCC(C)(O)C(=O)Cl MCULE-2893490565 [1,0,0,0,1,0|1,0,0]=3 1155 B7R0.13 CCC(C)(O)C(=O)N MCULE-7082405574 [1,0,0,0,1,0|1,0,0]=3 1156 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [1,0,0,0,1,0|0,0,0]=2 1157 B7R0.13 CCC(C)(O)C(C)O MCULE-5475978311 [1,0,0,0,1,0|1,0,1]=4 1158 B7R0.13 CCC(F)(Br)C(=O)O MCULE-8280947459 [1,0,0,0,1,0|2,0,0]=4 1159 B7R0.13 CCC(F)(F)C(=O)O MCULE-3712601150 [1,0,0,0,1,0|2,0,0]=4 1160 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [1,0,0,0,1,0|1,0,0]=3 1161 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [1,0,0,0,1,0|1,0,0]=3 1162 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [1,0,0,0,1,0|1,0,0]=3 1163 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [1,0,0,0,1,0|1,0,0]=3 1164 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [1,0,0,0,1,0|1,0,0]=3 1165 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [1,0,0,0,1,0|1,0,0]=3 1166 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [1,0,0,0,1,0|1,0,0]=3 1167 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [1,0,0,0,1,0|1,0,0]=3 1168 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [1,0,0,0,1,0|0,0,0]=2 1169 B7R0.13 CNC(C)(C)C(=O)O MCULE-7551663553 [1,0,0,0,1,0|2,0,0]=4 1170 B7R0.13 CNC(C)(C)C(=O)O MCULE-9856262226 [1,0,0,0,1,0|2,0,0]=4 1171 B7R0.13 COC(C)(C)C(=O)O MCULE-6977996423 [1,0,0,0,1,0|2,0,0]=4 1172 B7R0.13 CSC(C)(C)C(=O)O MCULE-1032417728 [1,0,0,0,1,0|2,0,0]=4 1173 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [1,0,0,0,1,0|1,0,0]=3 1174 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [1,0,0,0,1,0|1,0,0]=3 1175 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [1,0,0,0,1,0|1,1,0]=4 1176 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [1,0,0,0,1,0|1,1,0]=4 1177 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [1,0,0,0,1,0|1,1,0]=4 1178 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [1,0,0,0,1,0|1,1,0]=4 1179 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-2382162129 [1,0,0,0,1,0|1,0,0]=3 1180 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-7944927738 [1,0,0,0,1,0|1,0,0]=3 1181 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [1,0,0,0,1,0|1,0,0]=3 1182 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [1,0,0,0,1,0|1,0,0]=3 1183 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [1,0,0,0,1,0|1,1,0]=4 1184 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [1,0,0,0,1,0|1,1,0]=4 1185 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [1,0,0,0,1,0|1,1,0]=4 1186 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [1,0,0,0,1,0|1,1,0]=4 1187 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-1143505996 [1,0,0,0,1,0|1,0,0]=3 1188 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-7898456152 [1,0,0,0,1,0|1,0,0]=3 1189 B7R0.13 O=C(O)C(F)(F)CO MCULE-4913704401 [1,0,0,0,1,0|2,0,0]=4 1190 B9R0.48 CCCC(C)CCC(=O)C MCULE-1446034135 [1,0,0,0,0,1|2,0,0]=4 1191 B9R0.48 CCCC(C)CCC(=O)O MCULE-2307170636 [1,0,0,0,0,1|1,0,0]=3 1192 B9R0.48 CCCC(C)COC(=O)C MCULE-3322580373 [1,0,0,0,0,1|2,0,0]=4 1193 B9R0.48 CCCC(C)COC(=O)Cl MCULE-1504594923 [1,0,0,0,0,1|2,0,0]=4 1194 B9R0.48 CCCC(N)CCC(=O)O MCULE-2596842997 [1,0,0,0,0,1|2,0,0]=4 1195 B9R0.48 CCCC(N)CCC(=O)O MCULE-4723059719 [1,0,0,0,0,1|2,0,0]=4 1196 B9R0.48 CCCN(C)CCC(=O)O MCULE-4436694860 [1,0,0,0,0,1|2,0,0]=4 1197 B9R0.48 CCCN(C)CCC(=O)O MCULE-5636730093 [1,0,0,0,0,1|2,0,0]=4 1198 B9R0.48 CN(CCO)CCC(=O)O MCULE-1755715725 [1,0,0,0,0,1|1,0,0]=3 1199 B9R0.48 COCC(C)NCC(=O)O MCULE-1388451631 [1,0,0,0,0,1|2,0,0]=4 1200 B9R0.48 COCC(C)NCC(=O)O MCULE-8506123448 [1,0,0,0,0,1|2,0,0]=4 1201 B9R0.64 CC(C)(CO)COC(=O)N MCULE-1642548295 [1,0,0,0,0,1|2,0,0]=4 1202 B9R0.64 CCC(C)(C)OCC(=O)O MCULE-6870018986 [1,0,0,0,0,1|1,0,0]=3