0 B8R0.21 C=CCCCC(C)(C)C MCULE-8091417826 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.21 CC(C)(C)CCCCBr MCULE-3306918988 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.21 CC(C)(C)CCCCN MCULE-4696814283 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.21 CC(C)(C)CCCCO MCULE-6188842430 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.21 CC(C)(C)CCOCCl MCULE-4523307391 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.21 CC(C)(O)CCCCO MCULE-2749019232 [0,0,0,0,0,0|1,1,2]=4 6 B8R0.21 CC(C)(S)CCOC=O MCULE-5575032713 [0,0,0,0,0,0|0,0,0]=0 7 B8R0.21 CCCCCC(C)(C)C MCULE-4223197735 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.21 CCCCCC(C)(C)O MCULE-8173858480 [0,0,0,0,0,0|2,1,1]=4 9 B8R0.21 CNCCCC(C)(C)C MCULE-5292331415 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.21 CNCCCC(C)(C)C MCULE-7104440465 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.21 C[N+](C)(C)CCNC=O MCULE-2444996406 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.21 C[N+](C)(C)CCNC=O MCULE-5608803399 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.21 C[Si](C)(C)CCOCCl MCULE-7486539289 [0,0,0,0,0,0|2,1,1]=4 14 B8R0.21 O=CCCCC(F)(F)F MCULE-6514804172 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.4 C=CCCCC(C)C MCULE-7578384030 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.4 C=CCCCC(C)N MCULE-4101795283 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.4 C=CCCCC(C)O MCULE-6692920526 [1,0,0,0,0,0|2,1,0]=4 18 B7R0.4 C=CCCNC(C)C MCULE-4275849388 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.4 C=CCNCC(C)C MCULE-1424825920 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.4 C=CCNCC(C)C MCULE-4634875589 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.4 C=COCCN(C)C MCULE-5557000118 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.4 CC(=CCCC=O)C MCULE-3815388926 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.4 CC(=CCOC=O)C MCULE-1475053986 [1,0,0,0,0,0|0,0,2]=3 24 B7R0.4 CC(C)CCCC#N MCULE-8851952716 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.4 CC(C)CCCC=O MCULE-2846844109 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.4 CC(C)CCCCBr MCULE-9236389539 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.4 CC(C)CCCCCl MCULE-5223516486 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.4 CC(C)CCCCN MCULE-3591523204 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.4 CC(C)CCCCO MCULE-9053698607 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.4 CC(C)CCCON MCULE-5299845209 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.4 CC(C)CCCON MCULE-8643496539 [1,0,0,0,0,0|3,0,0]=4 32 B7R0.4 CC(C)CCN=C=O MCULE-2154901803 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.4 CC(C)CCN=C=S MCULE-4875828479 [1,0,0,0,0,0|1,1,1]=4 34 B7R0.4 CC(C)CCN=N#N MCULE-1481672811 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.4 CC(C)CCOC=O MCULE-3671444552 [1,0,0,0,0,0|0,0,0]=1 36 B7R0.4 CC(C)CCON=O MCULE-5177168468 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.4 CCCCCC(C)C MCULE-9815158757 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.4 CCCCCC(C)S MCULE-3173115736 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.4 CCONCC(C)C MCULE-3595879270 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.4 CCONCC(C)C MCULE-6329996438 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.4 CN(C)CCCC=O MCULE-1296611805 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.4 CN(C)CCN=C=O MCULE-3911246186 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.4 CN(C)CCNC=O MCULE-6221074161 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.4 CNCCCC(C)C MCULE-1784678333 [1,0,0,0,0,0|3,0,0]=4 45 B7R0.8 C#CCCC(C)(C)O MCULE-8518979057 [1,0,0,0,0,0|1,1,1]=4 46 B7R0.8 C=C=CCC(C)(C)O MCULE-4586517985 [1,0,0,0,0,0|1,1,1]=4 47 B7R0.8 C=CCCC(C)(C)C MCULE-8786196383 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.8 C=CCCC(C)(C)N MCULE-4917756483 [1,0,0,0,0,0|2,0,0]=3 49 B7R0.8 C=CCCC(C)(C)N MCULE-6232196724 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.8 C=CCCC(C)(C)O MCULE-6514590251 [1,0,0,0,0,0|1,1,0]=3 51 B7R0.8 C=CCC[Si](C)(C)C MCULE-9475403054 [1,0,0,0,0,0|2,1,0]=4 52 B7R0.8 C=CCNC(C)(C)C MCULE-6482977976 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.8 C=CCNC(C)(C)C MCULE-7967337441 [1,0,0,0,0,0|3,0,0]=4 54 B7R0.8 CC(C)(C)CCC#N MCULE-3859085521 [1,0,0,0,0,0|2,0,1]=4 55 B7R0.8 CC(C)(C)CCC=O MCULE-1451861515 [1,0,0,0,0,0|1,0,0]=2 56 B7R0.8 CC(C)(C)CCCBr MCULE-4957327319 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.8 CC(C)(C)CCCCl MCULE-2639997289 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.8 CC(C)(C)CCCN MCULE-4819398612 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.8 CC(C)(C)CCCN MCULE-8532835162 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.8 CC(C)(C)CCCO MCULE-6612017649 [1,0,0,0,0,0|1,0,2]=4 61 B7R0.8 CC(C)(C)CCNN MCULE-1135702388 [1,0,0,0,0,0|3,0,0]=4 62 B7R0.8 CC(C)(C)CCNN MCULE-9156763103 [1,0,0,0,0,0|3,0,0]=4 63 B7R0.8 CC(C)(C)CCON MCULE-2291447993 [1,0,0,0,0,0|2,0,0]=3 64 B7R0.8 CC(C)(C)CN=C=O MCULE-5314905295 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.8 CC(C)(Cl)CCC#N MCULE-2375664185 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.8 CC(C)(N)CCC#N MCULE-5759855320 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.8 CC(C)(N)CCCN MCULE-2030762085 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.8 CC(C)(N)CCCO MCULE-7933621714 [1,0,0,0,0,0|1,0,2]=4 69 B7R0.8 CC(C)(O)CCCBr MCULE-5479502475 [1,0,0,0,0,0|1,1,1]=4 70 B7R0.8 CC(C)(O)CCCN MCULE-1661840780 [1,0,0,0,0,0|1,1,1]=4 71 B7R0.8 CC(C)(O)CCCO MCULE-1879136086 [1,0,0,0,0,0|0,1,2]=4 72 B7R0.8 CC(C)(O)CCNN MCULE-1931103100 [1,0,0,0,0,0|2,1,0]=4 73 B7R0.8 CC(C)(O)CCNN MCULE-8954589001 [1,0,0,0,0,0|2,1,0]=4 74 B7R0.8 CC(F)(F)CCC=O MCULE-8198686125 [1,0,0,0,0,0|2,0,0]=3 75 B7R0.8 CCCCC(C)(C)C MCULE-4446772090 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.8 CCCCC(C)(C)O MCULE-6518378731 [1,0,0,0,0,0|1,1,1]=4 77 B7R0.8 CCOCC(C)(C)N MCULE-6273123648 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.8 CCOCC(C)(C)N MCULE-8688436281 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.8 CNCCC(C)(C)C MCULE-4129415722 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.8 CNCCC(C)(C)C MCULE-8255669777 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.8 CNCCC(C)(C)N MCULE-2728169604 [1,0,0,0,0,0|2,0,1]=4 82 B7R0.8 CNCCC(C)(C)N MCULE-3540926370 [1,0,0,0,0,0|2,0,1]=4 83 B7R0.8 CNCCC(C)(C)O MCULE-6866727490 [1,0,0,0,0,0|1,1,1]=4 84 B7R0.8 COCCC(C)(C)N MCULE-7159634596 [1,0,0,0,0,0|1,0,1]=3 85 B7R0.8 CONCC(C)(C)C MCULE-4738335162 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.8 CS(=O)(=O)CCC=O MCULE-1821843669 [1,0,0,0,0,0|2,1,0]=4 87 B7R0.8 CSCCC(C)(C)N MCULE-5957026834 [1,0,0,0,0,0|1,1,1]=4 88 B7R0.8 C[Si](C)(C)CCON MCULE-1449766833 [1,0,0,0,0,0|2,1,0]=4 89 B7R0.8 C[Si](C)(C)CCON MCULE-4125270419 [1,0,0,0,0,0|2,1,0]=4 90 B7R0.8 O=CCCC(F)(F)F MCULE-8231441138 [1,0,0,0,0,0|3,0,0]=4 91 B7R0.8 O=COCC(F)(F)F MCULE-8624760453 [1,0,0,0,0,0|3,0,0]=4 92 B9R0.20 CCOCCC(C)(C)C=O MCULE-2777298648 [0,1,0,0,0,0|1,1,1]=4 93 B9R0.38 C=CCOCC[N+](C)(C)C MCULE-7850465970 [0,1,0,0,0,0|3,0,0]=4 94 B9R0.38 C=CCOCC[N+](C)(C)C MCULE-9212664775 [0,1,0,0,0,0|3,0,0]=4 95 B9R0.38 CC(C)(C)CCCCC=O MCULE-8002631916 [0,1,0,0,0,0|2,0,0]=3 96 B9R0.38 CC(C)(C)CCOCCN MCULE-2145219590 [0,1,0,0,0,0|2,0,1]=4 97 B9R0.38 CCCCCCC(C)(C)S MCULE-9664015973 [0,1,0,0,0,0|2,0,1]=4 98 B9R0.44 CC(CC=O)CC(C)(C)C MCULE-6622339070 [0,1,0,0,0,0|2,0,0]=3 99 B9R0.56 C=C(Br)CCCC(C)(C)C MCULE-5139420207 [0,1,0,0,0,0|3,0,0]=4 100 B9R0.56 C=C(C)CCCC(C)(C)C MCULE-4242513604 [0,1,0,0,0,0|3,0,0]=4 101 B9R0.56 C=C(Cl)CCCC(C)(C)C MCULE-9600452003 [0,1,0,0,0,0|3,0,0]=4 102 B9R0.56 CC(=O)CCOC(C)(C)C MCULE-7564146395 [0,1,0,0,0,0|3,0,0]=4 103 B9R0.56 CC(=O)NCC[N+](C)(C)C MCULE-8496483723 [0,1,0,0,0,0|3,0,0]=4 104 B9R0.56 CC(=O)NCC[N+](C)(C)C MCULE-8521440659 [0,1,0,0,0,0|3,0,0]=4 105 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-4295517590 [0,1,0,0,0,0|2,0,0]=3 106 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-4407610890 [0,1,0,0,0,0|2,0,0]=3 107 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-6461445841 [0,1,0,0,0,0|2,0,0]=3 108 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-7765616505 [0,1,0,0,0,0|2,0,0]=3 109 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-9336983715 [0,1,0,0,0,0|2,0,0]=3 110 B9R0.56 CC(=O)OCC[Si](C)(C)Cl MCULE-8932068563 [0,1,0,0,0,0|1,1,0]=3 111 B9R0.56 CC(=O)OCC[Si](C)(Cl)Cl MCULE-7297171294 [0,1,0,0,0,0|2,1,0]=4 112 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-2411681405 [0,1,0,0,0,0|2,1,0]=4 113 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-4617747505 [0,1,0,0,0,0|2,1,0]=4 114 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-6838656617 [0,1,0,0,0,0|2,1,0]=4 115 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-7762832237 [0,1,0,0,0,0|2,1,0]=4 116 B9R0.56 CC(=O)SCC[Si](C)(C)C MCULE-5870722900 [0,1,0,0,0,0|1,2,0]=4 117 B9R0.56 CC(C)(C)CCCC(=O)O MCULE-2659832762 [0,1,0,0,0,0|2,0,0]=3 118 B9R0.56 CC(C)(C)CNCC(=O)O MCULE-1268208354 [0,1,0,0,0,0|3,0,0]=4 119 B9R0.56 CC(C)(C)CNCC(=O)O MCULE-5430860345 [0,1,0,0,0,0|3,0,0]=4 120 B9R0.56 CC(C)(C)COCC(=O)Cl MCULE-1692426636 [0,1,0,0,0,0|3,0,0]=4 121 B9R0.56 CC(C)(C)NCCC(=O)N MCULE-5827810099 [0,1,0,0,0,0|3,0,0]=4 122 B9R0.56 CC(C)(C)OCCC(=O)O MCULE-2627981612 [0,1,0,0,0,0|3,0,0]=4 123 B9R0.56 CC(C)(C)SCCC(=O)O MCULE-3380271202 [0,1,0,0,0,0|3,0,0]=4 124 B9R0.56 CC(C)(N)COCC(=O)O MCULE-6736911202 [0,1,0,0,0,0|3,0,0]=4 125 B9R0.56 CS(=O)(=O)CCOC(=O)Cl MCULE-7479796506 [0,1,0,0,0,0|2,1,0]=4 126 B9R0.56 C[N+](C)(C)CCCC(=O)O MCULE-2639547018 [0,1,0,0,0,0|3,0,0]=4 127 B9R0.56 C[N+](C)(C)CCCC(=O)[O-] MCULE-4081752151 [0,1,0,0,0,0|3,0,0]=4 128 B9R0.56 C[N+](C)(C)CCOC(=O)N MCULE-5642570831 [0,1,0,0,0,0|2,0,0]=3 129 B9R0.56 C[N+](C)(C)CCOC(=O)N MCULE-9644162883 [0,1,0,0,0,0|2,0,0]=3 130 B9R0.56 C[Si](C)(C)CCCC(=O)O MCULE-6750746548 [0,1,0,0,0,0|2,1,0]=4 131 B9R0.56 C[Si](C)(C)CCOC(=O)Cl MCULE-1008452969 [0,1,0,0,0,0|1,1,0]=3 132 B9R0.56 O=C(Cl)OCCC(F)(F)F MCULE-8949256620 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.66 CC1(C=COC(=O)C1)C MCULE-6876256388 [0,0,0,1,0,0|1,0,2]=4 134 B9R1.66 CC1(CC(=O)CCN1)C MCULE-7066435466 [0,0,0,1,0,0|3,0,0]=4 135 B9R1.66 CC1(CC(=O)CCN1)C MCULE-7610772996 [0,0,0,1,0,0|3,0,0]=4 136 B9R1.66 CC1(CC(=O)CCO1)C MCULE-8996731620 [0,0,0,1,0,0|3,0,0]=4 137 B9R1.66 CC1(CC=CC(=O)C1)C MCULE-3774162320 [0,0,0,1,0,0|2,0,1]=4 138 B9R1.66 CC1(CCCC(=O)C1)C MCULE-5947496314 [0,0,0,1,0,0|2,0,0]=3 139 B9R1.66 CC1(CCCC(=O)N1)C MCULE-9506005736 [0,0,0,1,0,0|2,0,0]=3 140 B9R1.66 CC1(CCNC(=O)C1)C MCULE-5703517542 [0,0,0,1,0,0|2,0,0]=3 141 B9R1.66 CC1(CCOC(=O)C1)C MCULE-4727187858 [0,0,0,1,0,0|1,0,0]=2 142 B9R1.66 CC1(CCOC(=O)C1)O MCULE-5265065779 [0,0,0,1,0,0|0,1,0]=2 143 B9R1.66 CC1(CCOS(=O)O1)C MCULE-7552644708 [0,0,0,1,0,0|1,1,0]=3 144 B9R1.66 CC1(CNCC(=O)N1)C MCULE-1640277430 [0,0,0,1,0,0|3,0,0]=4 145 B9R1.66 CC1(CNCC(=O)N1)C MCULE-6894196220 [0,0,0,1,0,0|3,0,0]=4 146 B9R1.66 CC1(COCC(=O)C1)C MCULE-9899246450 [0,0,0,1,0,0|3,0,0]=4 147 B9R1.66 CC1(COCC(=O)N1)C MCULE-4764218630 [0,0,0,1,0,0|3,0,0]=4 148 B9R1.66 CC1(CSCC(=O)C1)C MCULE-2479165636 [0,0,0,1,0,0|3,0,0]=4 149 B9R1.66 C[C@]1(CCOC(=O)C1)O MCULE-9416165586 [0,0,0,1,0,0|0,1,0]=2 150 B9R1.66 O=C1CC(CCN1)(F)F MCULE-3058421094 [0,0,0,1,0,0|3,0,0]=4 151 B9R1.66 O=C1CC(CCN1)(F)F MCULE-7491921693 [0,0,0,1,0,0|3,0,0]=4 152 B9R1.66 O=C1CCCC(C1)(F)F MCULE-2940546181 [0,0,0,1,0,0|3,0,0]=4 153 B9R1.68 CC(C)(C)C1CCC1=O MCULE-2561758479 [0,0,0,1,0,0|2,0,0]=3 154 B9R1.133 CC1(CC(CO1)C=O)C MCULE-5892294850 [0,0,0,1,0,0|3,0,0]=4 155 B9R1.133 CC1(OCC(O1)C=O)C MCULE-2415914691 [0,0,0,1,0,0|2,1,0]=4 156 B9R1.133 CC1(OC[C@@H](O1)C=O)C MCULE-1837843473 [0,0,0,1,0,0|2,1,0]=4 157 B9R1.133 CC1(OC[C@@H](O1)C=O)C MCULE-9001101986 [0,0,0,1,0,0|2,1,0]=4 158 B9R1.133 CC1(OC[C@H](O1)C=O)C MCULE-2355273726 [0,0,0,1,0,0|2,1,0]=4 159 B9R1.133 CC1(OC[C@H](O1)C=O)C MCULE-3931300162 [0,0,0,1,0,0|2,1,0]=4 160 B9R1.133 O=CC1CCC(C1)(F)F MCULE-5329563589 [0,0,0,1,0,0|3,0,0]=4 161 B9R1.136 CC1(CC(C1)N=C=O)C MCULE-9631491979 [0,0,0,1,0,0|2,0,1]=4 162 B9R1.136 O=CCC1CC(C1)(F)F MCULE-5006248684 [0,0,0,1,0,0|3,0,0]=4 163 B9R1.136 O=CNC1CC(C1)(F)F MCULE-2816399344 [0,0,0,1,0,0|3,0,0]=4 164 B9R1.148 CC1(CCNCCS1)C MCULE-2712017682 [0,0,0,1,0,0|2,0,1]=4 165 B6R0.4 C#CCCC(C)C MCULE-9613694830 [2,0,0,0,0,0|1,0,1]=4 166 B6R0.4 C=CCCC(C)Br MCULE-5841356762 [2,0,0,0,0,0|2,0,0]=4 167 B6R0.4 C=CCCC(C)C MCULE-7128249655 [2,0,0,0,0,0|1,0,0]=3 168 B6R0.4 C=CCCC(C)O MCULE-3388106789 [2,0,0,0,0,0|1,1,0]=4 169 B6R0.4 C=CCC[C@@H](C)O MCULE-1272820385 [2,0,0,0,0,0|1,1,0]=4 170 B6R0.4 C=CCC[C@@H](C)O MCULE-8509867177 [2,0,0,0,0,0|1,1,0]=4 171 B6R0.4 C=CCC[C@H](C)O MCULE-4371391667 [2,0,0,0,0,0|1,1,0]=4 172 B6R0.4 C=CCNC(C)C MCULE-1450045891 [2,0,0,0,0,0|2,0,0]=4 173 B6R0.4 C=CCNC(C)C MCULE-3261189096 [2,0,0,0,0,0|2,0,0]=4 174 B6R0.4 C=CCNC(C)C MCULE-4894255968 [2,0,0,0,0,0|2,0,0]=4 175 B6R0.4 C=COCC(C)C MCULE-7268141053 [2,0,0,0,0,0|1,0,0]=3 176 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [2,0,0,0,0,0|0,1,1]=4 177 B6R0.4 CC(C)C=CC=O MCULE-5034551905 [2,0,0,0,0,0|0,0,2]=4 178 B6R0.4 CC(C)CCC#N MCULE-5503038837 [2,0,0,0,0,0|1,0,1]=4 179 B6R0.4 CC(C)CCC=O MCULE-9664145623 [2,0,0,0,0,0|0,0,0]=2 180 B6R0.4 CC(C)CCCBr MCULE-2045625937 [2,0,0,0,0,0|1,0,1]=4 181 B6R0.4 CC(C)CCCCl MCULE-4841628592 [2,0,0,0,0,0|1,0,1]=4 182 B6R0.4 CC(C)CCCI MCULE-4035616717 [2,0,0,0,0,0|1,0,1]=4 183 B6R0.4 CC(C)CCCN MCULE-2232715676 [2,0,0,0,0,0|1,0,1]=4 184 B6R0.4 CC(C)CCCN MCULE-7121372197 [2,0,0,0,0,0|1,0,1]=4 185 B6R0.4 CC(C)CCCO MCULE-5797993948 [2,0,0,0,0,0|0,0,2]=4 186 B6R0.4 CC(C)CCCS MCULE-8417191578 [2,0,0,0,0,0|0,1,1]=4 187 B6R0.4 CC(C)CCNN MCULE-1163630283 [2,0,0,0,0,0|2,0,0]=4 188 B6R0.4 CC(C)CCNN MCULE-2023326468 [2,0,0,0,0,0|2,0,0]=4 189 B6R0.4 CC(C)CCNN MCULE-4572239737 [2,0,0,0,0,0|2,0,0]=4 190 B6R0.4 CC(C)CCON MCULE-2653553816 [2,0,0,0,0,0|1,0,0]=3 191 B6R0.4 CC(C)CCON MCULE-6468395078 [2,0,0,0,0,0|1,0,0]=3 192 B6R0.4 CC(C)CN=C=O MCULE-3174970377 [2,0,0,0,0,0|1,0,1]=4 193 B6R0.4 CC(C)CNC=O MCULE-2156996206 [2,0,0,0,0,0|1,0,0]=3 194 B6R0.4 CC(C)COC=O MCULE-8234906771 [2,0,0,0,0,0|0,0,0]=2 195 B6R0.4 CC(C)COCCl MCULE-2194640169 [2,0,0,0,0,0|1,0,1]=4 196 B6R0.4 CC(C)CON=O MCULE-8394966903 [2,0,0,0,0,0|1,0,0]=3 197 B6R0.4 CC(C)OCC=O MCULE-5974054323 [2,0,0,0,0,0|1,0,0]=3 198 B6R0.4 CC(C)SCC=O MCULE-3174965592 [2,0,0,0,0,0|1,0,0]=3 199 B6R0.4 CC=CCC(C)C MCULE-7145682250 [2,0,0,0,0,0|1,0,1]=4 200 B6R0.4 CCCCC(C)C MCULE-7568461039 [2,0,0,0,0,0|1,0,1]=4 201 B6R0.4 CCCCC(C)S MCULE-4791681848 [2,0,0,0,0,0|1,0,1]=4 202 B6R0.4 CCOCC(C)C MCULE-7986128672 [2,0,0,0,0,0|1,0,1]=4 203 B6R0.4 CN(C)CCC=O MCULE-6830649526 [2,0,0,0,0,0|1,0,0]=3 204 B6R0.4 CN(C)CCON MCULE-1981169712 [2,0,0,0,0,0|2,0,0]=4 205 B6R0.4 CN(C)CCON MCULE-6706970282 [2,0,0,0,0,0|2,0,0]=4 206 B6R0.4 CNCCC(C)C MCULE-3679914556 [2,0,0,0,0,0|1,0,1]=4 207 B6R0.4 CNCCC(C)C MCULE-9679972004 [2,0,0,0,0,0|1,0,1]=4 208 B6R0.4 CNOCC(C)C MCULE-4779196887 [2,0,0,0,0,0|2,0,0]=4 209 B6R0.4 CNOCC(C)C MCULE-7320343096 [2,0,0,0,0,0|2,0,0]=4 210 B6R0.4 COCCC(C)Br MCULE-6529807745 [2,0,0,0,0,0|1,0,1]=4 211 B6R0.4 COCCC(C)C MCULE-8727768886 [2,0,0,0,0,0|0,0,1]=3 212 B6R0.4 COCCC(C)N MCULE-6183216923 [2,0,0,0,0,0|1,0,1]=4 213 B6R0.4 COCCC(C)O MCULE-6536001437 [2,0,0,0,0,0|0,1,1]=4 214 B6R0.4 COCCN(C)C MCULE-5323166567 [2,0,0,0,0,0|1,0,1]=4 215 B6R0.4 COCC[C@H](C)N MCULE-6163336851 [2,0,0,0,0,0|1,0,1]=4 216 B6R0.4 COCC[C@H](C)N MCULE-6363449253 [2,0,0,0,0,0|1,0,1]=4 217 B6R0.4 O=CCCC(F)F MCULE-4743402824 [2,0,0,0,0,0|2,0,0]=4 218 B6R0.6 C/C=C/CCCC MCULE-6900331316 [2,0,0,0,0,0|2,0,0]=4 219 B6R0.6 C/C=C\CCCC MCULE-8426867799 [2,0,0,0,0,0|2,0,0]=4 220 B6R0.6 C=CCCCCC MCULE-5868303078 [2,0,0,0,0,0|2,0,0]=4 221 B6R0.6 C=COCCCC MCULE-2025922328 [2,0,0,0,0,0|1,0,0]=3 222 B6R0.6 C=COCCCN MCULE-1669664157 [2,0,0,0,0,0|2,0,0]=4 223 B6R0.6 C=COCCCO MCULE-8325617945 [2,0,0,0,0,0|1,1,0]=4 224 B6R0.6 C=COCCOC MCULE-6845218696 [2,0,0,0,0,0|2,0,0]=4 225 B6R0.6 CC=CCCCC MCULE-7277981733 [2,0,0,0,0,0|2,0,0]=4 226 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [2,0,0,0,0,0|1,0,1]=4 227 B6R0.6 CCCC=CC=O MCULE-5273169296 [2,0,0,0,0,0|1,0,1]=4 228 B6R0.6 CCCCCC=O MCULE-6770578514 [2,0,0,0,0,0|1,0,0]=3 229 B6R0.6 CCCCN=C=O MCULE-3381327717 [2,0,0,0,0,0|1,0,1]=4 230 B6R0.6 CCCCNC=O MCULE-8821792924 [2,0,0,0,0,0|1,0,0]=3 231 B6R0.6 CCCCOC=O MCULE-4633421026 [2,0,0,0,0,0|0,0,0]=2 232 B6R0.6 CCCCOCC MCULE-5662731951 [2,0,0,0,0,0|1,0,1]=4 233 B6R0.6 CCCCOCCl MCULE-5282964693 [2,0,0,0,0,0|1,0,1]=4 234 B6R0.6 CCCCON=O MCULE-9992790020 [2,0,0,0,0,0|1,0,0]=3 235 B6R0.6 CCOCCC=O MCULE-1664130148 [2,0,0,0,0,0|2,0,0]=4 236 B6R0.6 CCSCCC=O MCULE-2493452950 [2,0,0,0,0,0|2,0,0]=4 237 B6R0.6 COCCCC=O MCULE-2055914202 [2,0,0,0,0,0|2,0,0]=4 238 B6R0.6 COCCNC=O MCULE-9003279073 [2,0,0,0,0,0|2,0,0]=4 239 B6R0.6 CSCCCC=O MCULE-6353729217 [2,0,0,0,0,0|2,0,0]=4 240 B6R0.6 NCCCNC=O MCULE-9651299205 [2,0,0,0,0,0|2,0,0]=4 241 B6R0.6 O=CCCCCCl MCULE-1257670284 [2,0,0,0,0,0|2,0,0]=4 242 B6R0.6 O=CCCCCO MCULE-7959082228 [2,0,0,0,0,0|1,1,0]=4 243 B6R0.6 O=CNCCCO MCULE-7926485528 [2,0,0,0,0,0|1,1,0]=4 244 B6R0.5 C=CCC(C)(C)C MCULE-1992751113 [2,0,0,0,0,0|1,0,1]=4 245 B6R0.5 C=CCC(C)(C)N MCULE-5186161263 [2,0,0,0,0,0|1,0,1]=4 246 B6R0.5 C=CCC(C)(C)N MCULE-6288336754 [2,0,0,0,0,0|1,0,1]=4 247 B6R0.5 C=CCC(C)(C)O MCULE-3560651758 [2,0,0,0,0,0|0,1,1]=4 248 B6R0.5 C=COC(C)(C)C MCULE-5049432761 [2,0,0,0,0,0|2,0,0]=4 249 B6R0.5 CC(C)(Br)CCBr MCULE-9461856185 [2,0,0,0,0,0|2,0,0]=4 250 B6R0.5 CC(C)(C)CC=O MCULE-6726853595 [2,0,0,0,0,0|1,0,0]=3 251 B6R0.5 CC(C)(C)CCBr MCULE-6591692767 [2,0,0,0,0,0|2,0,0]=4 252 B6R0.5 CC(C)(C)CCCl MCULE-6806888253 [2,0,0,0,0,0|2,0,0]=4 253 B6R0.5 CC(C)(C)CCI MCULE-5455265220 [2,0,0,0,0,0|2,0,0]=4 254 B6R0.5 CC(C)(C)CCN MCULE-6905943138 [2,0,0,0,0,0|2,0,0]=4 255 B6R0.5 CC(C)(C)CCN MCULE-9954564734 [2,0,0,0,0,0|2,0,0]=4 256 B6R0.5 CC(C)(C)CCO MCULE-3121776589 [2,0,0,0,0,0|1,0,0]=3 257 B6R0.5 CC(C)(C)CON MCULE-2962518041 [2,0,0,0,0,0|2,0,0]=4 258 B6R0.5 CC(C)(C)CON MCULE-7840185186 [2,0,0,0,0,0|2,0,0]=4 259 B6R0.5 CC(C)(C)NC=O MCULE-4474324800 [2,0,0,0,0,0|2,0,0]=4 260 B6R0.5 CC(C)(C)OC=O MCULE-3317941666 [2,0,0,0,0,0|1,0,0]=3 261 B6R0.5 CC(C)(C)ON=O MCULE-6314034226 [2,0,0,0,0,0|2,0,0]=4 262 B6R0.5 CC(C)(Cl)CCCl MCULE-1702128758 [2,0,0,0,0,0|2,0,0]=4 263 B6R0.5 CC(C)(F)CCN MCULE-8439738647 [2,0,0,0,0,0|2,0,0]=4 264 B6R0.5 CC(C)(F)CCN MCULE-9182730805 [2,0,0,0,0,0|2,0,0]=4 265 B6R0.5 CC(C)(F)CCO MCULE-7157649991 [2,0,0,0,0,0|1,0,0]=3 266 B6R0.5 CC(C)(I)CCO MCULE-2114317591 [2,0,0,0,0,0|1,0,0]=3 267 B6R0.5 CC(C)(N)CCN MCULE-3524950958 [2,0,0,0,0,0|2,0,0]=4 268 B6R0.5 CC(C)(N)CCN MCULE-9689616736 [2,0,0,0,0,0|2,0,0]=4 269 B6R0.5 CC(C)(N)CCO MCULE-2300724181 [2,0,0,0,0,0|1,0,0]=3 270 B6R0.5 CC(C)(N)CCO MCULE-7470688556 [2,0,0,0,0,0|1,0,0]=3 271 B6R0.5 CC(C)(N)CON MCULE-2272035336 [2,0,0,0,0,0|2,0,0]=4 272 B6R0.5 CC(C)(O)CCBr MCULE-5311251278 [2,0,0,0,0,0|1,1,0]=4 273 B6R0.5 CC(C)(O)CCCl MCULE-2803507835 [2,0,0,0,0,0|1,1,0]=4 274 B6R0.5 CC(C)(O)CCI MCULE-1822716730 [2,0,0,0,0,0|1,1,0]=4 275 B6R0.5 CC(C)(O)CCN MCULE-1233177150 [2,0,0,0,0,0|1,1,0]=4 276 B6R0.5 CC(C)(O)CCO MCULE-4723950851 [2,0,0,0,0,0|0,1,0]=3 277 B6R0.5 CC(C)(O)CCS MCULE-5161173776 [2,0,0,0,0,0|0,2,0]=4 278 B6R0.5 CC(C)(O)CON MCULE-1954965804 [2,0,0,0,0,0|1,1,0]=4 279 B6R0.5 CC(C)(O)CON MCULE-9916686271 [2,0,0,0,0,0|1,1,0]=4 280 B6R0.5 CC(C)(S)CCO MCULE-6218278668 [2,0,0,0,0,0|0,0,0]=2 281 B6R0.5 CC(F)(F)CCO MCULE-6983720400 [2,0,0,0,0,0|2,0,0]=4 282 B6R0.5 CCCC(C)(C)C MCULE-2309229328 [2,0,0,0,0,0|1,0,1]=4 283 B6R0.5 CCCC(C)(C)Cl MCULE-1426018824 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.5 CCCC(C)(C)N MCULE-2670535144 [2,0,0,0,0,0|1,0,1]=4 285 B6R0.5 CCCC(C)(C)N MCULE-4533125677 [2,0,0,0,0,0|1,0,1]=4 286 B6R0.5 CCCC(C)(C)O MCULE-2647276101 [2,0,0,0,0,0|0,1,1]=4 287 B6R0.5 COCC(C)(C)N MCULE-1332913947 [2,0,0,0,0,0|1,0,1]=4 288 B6R0.5 COCC(C)(C)N MCULE-9588666609 [2,0,0,0,0,0|1,0,1]=4 289 B6R0.5 COCC(C)(C)O MCULE-2480013758 [2,0,0,0,0,0|0,1,1]=4 290 B6R0.5 C[N+](C)(C)CC=O MCULE-1973623516 [2,0,0,0,0,0|2,0,0]=4 291 B6R0.5 C[N+](C)(C)CC=O MCULE-6964542865 [2,0,0,0,0,0|2,0,0]=4 292 B6R0.5 C[N+](C)(C)CCO MCULE-3010919014 [2,0,0,0,0,0|2,0,0]=4 293 B6R0.5 C[N+](C)(C)CCO MCULE-3528185452 [2,0,0,0,0,0|2,0,0]=4 294 B6R0.5 C[N+](C)(C)CCO MCULE-4172409716 [2,0,0,0,0,0|2,0,0]=4 295 B6R0.5 C[N+](C)(C)CCO MCULE-7472714268 [2,0,0,0,0,0|2,0,0]=4 296 B6R0.5 C[N+](C)(C)CCO MCULE-7712564949 [2,0,0,0,0,0|2,0,0]=4 297 B6R0.5 C[N+](C)(C)CCO MCULE-7734259295 [2,0,0,0,0,0|2,0,0]=4 298 B6R0.5 C[N+](C)(C)CCO MCULE-8298385594 [2,0,0,0,0,0|2,0,0]=4 299 B6R0.5 C[Si](C)(C)CCO MCULE-3912098564 [2,0,0,0,0,0|1,1,0]=4 300 B8R0.5 C=CCC(C)CC(C)C MCULE-8816279401 [1,1,0,0,0,0|2,0,0]=4 301 B8R0.5 CC(=CC=O)CC(C)C MCULE-4061823977 [1,1,0,0,0,0|1,0,1]=4 302 B8R0.7 C=CCCNCC(C)C MCULE-5787359946 [1,1,0,0,0,0|2,0,0]=4 303 B8R0.7 CC(=O)CCCOC=O MCULE-7473574321 [1,1,0,0,0,0|0,1,1]=4 304 B8R0.7 CC(C)CCCCC=O MCULE-9268976664 [1,1,0,0,0,0|1,0,0]=3 305 B8R0.7 CC(C)CCOCCCl MCULE-6456640636 [1,1,0,0,0,0|1,0,1]=4 306 B8R0.7 CC(C)CCOCCN MCULE-2357363560 [1,1,0,0,0,0|1,0,1]=4 307 B8R0.7 CC(C)CCOCCO MCULE-2905905370 [1,1,0,0,0,0|0,0,2]=4 308 B8R0.8 C=CCCC(N)C(C)C MCULE-5950352597 [1,1,0,0,0,0|2,0,0]=4 309 B8R0.8 C=CCCC(N)C(C)C MCULE-6219678925 [1,1,0,0,0,0|2,0,0]=4 310 B8R0.8 CCOCC(N)C(C)C MCULE-6644223666 [1,1,0,0,0,0|1,0,1]=4 311 B8R0.8 CCOCC(N)C(C)C MCULE-7204690887 [1,1,0,0,0,0|1,0,1]=4 312 B8R0.9 CN(C)CCN(C)C=O MCULE-3548074867 [1,1,0,0,0,0|2,0,0]=4 313 B8R0.28 C=C(C)CCCC(C)C MCULE-5830488183 [1,1,0,0,0,0|2,0,0]=4 314 B8R0.28 CC(=CCCC(C)C)Br MCULE-8539278626 [1,1,0,0,0,0|2,0,0]=4 315 B8R0.28 CC(=O)/C=C/CC(C)C MCULE-3347834086 [1,1,0,0,0,0|1,0,1]=4 316 B8R0.28 CC(=O)C=CCC(C)C MCULE-7397904120 [1,1,0,0,0,0|1,0,1]=4 317 B8R0.28 CC(=O)CCCC(C)C MCULE-7256575819 [1,1,0,0,0,0|1,0,0]=3 318 B8R0.28 CC(=O)CCCN(C)C MCULE-8876627134 [1,1,0,0,0,0|2,0,0]=4 319 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [1,1,0,0,0,0|0,1,1]=4 320 B8R0.28 CC(=O)CCOC(C)C MCULE-5907441510 [1,1,0,0,0,0|2,0,0]=4 321 B8R0.28 CC(=O)CNCC(C)C MCULE-3943786157 [1,1,0,0,0,0|2,0,0]=4 322 B8R0.28 CC(=O)CNCC(C)C MCULE-9329085422 [1,1,0,0,0,0|2,0,0]=4 323 B8R0.28 CC(=O)CSCC(C)C MCULE-1710631404 [1,1,0,0,0,0|2,0,0]=4 324 B8R0.28 CC(=O)NCCC(C)C MCULE-7572826846 [1,1,0,0,0,0|1,0,0]=3 325 B8R0.28 CC(=O)OCC=C(C)C MCULE-1590395935 [1,1,0,0,0,0|0,0,2]=4 326 B8R0.28 CC(=O)OCCC(C)C MCULE-3274854886 [1,1,0,0,0,0|0,0,0]=2 327 B8R0.28 CC(=O)OCCN(C)C MCULE-2915953466 [1,1,0,0,0,0|1,0,0]=3 328 B8R0.28 CC(C)CC=CC(=O)O MCULE-4966710694 [1,1,0,0,0,0|1,0,1]=4 329 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [1,1,0,0,0,0|1,0,0]=3 330 B8R0.28 CC(C)CCCN(=O)=O MCULE-2817926193 [1,1,0,0,0,0|2,0,0]=4 331 B8R0.28 CC(C)CCNC(=O)N MCULE-7857218878 [1,1,0,0,0,0|1,0,0]=3 332 B8R0.28 CC(C)CCNC(=S)N MCULE-3531703173 [1,1,0,0,0,0|1,1,0]=4 333 B8R0.28 CC(C)CCOC(=O)Cl MCULE-1140125816 [1,1,0,0,0,0|0,0,0]=2 334 B8R0.28 CC(C)CCOC(=S)[S-] MCULE-5735238485 [1,1,0,0,0,0|0,1,0]=3 335 B8R0.28 CC(C)CCOC(=S)[S-] MCULE-6041602768 [1,1,0,0,0,0|0,1,0]=3 336 B8R0.28 CC(C)CCON(=O)=O MCULE-4421216319 [1,1,0,0,0,0|1,0,0]=3 337 B8R0.28 CC(C)CCSC(=N)N MCULE-2814891417 [1,1,0,0,0,0|1,1,0]=4 338 B8R0.28 CC(C)CCSC(=N)N MCULE-6341574593 [1,1,0,0,0,0|1,1,0]=4 339 B8R0.28 CC(C)CNCC(=O)N MCULE-6834225327 [1,1,0,0,0,0|2,0,0]=4 340 B8R0.28 CC(C)CNCC(=O)N MCULE-8464570977 [1,1,0,0,0,0|2,0,0]=4 341 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [1,1,0,0,0,0|2,0,0]=4 342 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [1,1,0,0,0,0|2,0,0]=4 343 B8R0.28 CC(C)COCC(=O)N MCULE-8148336060 [1,1,0,0,0,0|2,0,0]=4 344 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [1,1,0,0,0,0|2,0,0]=4 345 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [1,1,0,0,0,0|2,0,0]=4 346 B8R0.28 CC(C)NCCC(=O)N MCULE-4812986605 [1,1,0,0,0,0|2,0,0]=4 347 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [1,1,0,0,0,0|2,0,0]=4 348 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [1,1,0,0,0,0|2,0,0]=4 349 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [1,1,0,0,0,0|2,0,0]=4 350 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [1,1,0,0,0,0|2,0,0]=4 351 B8R0.28 CC(Cl)CCCC(=O)Cl MCULE-6993455396 [1,1,0,0,0,0|2,0,0]=4 352 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [1,1,0,0,0,0|1,1,0]=4 353 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [1,1,0,0,0,0|1,1,0]=4 354 B8R0.28 CN(C)CCCC(=O)Cl MCULE-4211417336 [1,1,0,0,0,0|2,0,0]=4 355 B8R0.28 CN(C)CCCC(=O)Cl MCULE-6854328742 [1,1,0,0,0,0|2,0,0]=4 356 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [1,1,0,0,0,0|2,0,0]=4 357 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [1,1,0,0,0,0|2,0,0]=4 358 B8R0.28 CN(C)CCNC(=O)N MCULE-5420989663 [1,1,0,0,0,0|2,0,0]=4 359 B8R0.28 CN(C)CCNC(=O)N MCULE-6784836791 [1,1,0,0,0,0|2,0,0]=4 360 B8R0.14 C=CCC(N)C(C)(C)C MCULE-3790250697 [1,1,0,0,0,0|2,0,0]=4 361 B8R0.14 C=CCC(N)C(C)(C)C MCULE-9971524352 [1,1,0,0,0,0|2,0,0]=4 362 B8R0.14 CC(C)(C)C(=O)CC=O MCULE-6190245383 [1,1,0,0,0,0|1,0,1]=4 363 B8R0.14 CC(C)(C)C(O)CON MCULE-4687686608 [1,1,0,0,0,0|2,0,0]=4 364 B8R0.14 COCC(O)C(C)(C)C MCULE-2227683316 [1,1,0,0,0,0|1,0,1]=4 365 B8R0.24 C=CC(C)CC(C)(C)C MCULE-7756364310 [1,1,0,0,0,0|2,0,0]=4 366 B8R0.24 CC(C=O)CC(C)(C)C MCULE-7924761915 [1,1,0,0,0,0|1,0,0]=3 367 B8R0.25 C=CCCC(C)(C)C=O MCULE-2867463302 [1,1,0,0,0,0|1,1,0]=4 368 B8R0.25 C=CCCC(C)(C)CN MCULE-2959857418 [1,1,0,0,0,0|2,0,0]=4 369 B8R0.25 C=CCCC(C)(C)CO MCULE-6808455232 [1,1,0,0,0,0|1,1,0]=4 370 B8R0.25 COC(C)(C)CNC=O MCULE-4502176949 [1,1,0,0,0,0|1,1,0]=4 371 B8R0.25 COCCC(C)(C)CBr MCULE-9289158517 [1,1,0,0,0,0|1,0,1]=4 372 B8R0.25 COCCC(C)(C)CN MCULE-9030041454 [1,1,0,0,0,0|1,0,1]=4 373 B8R0.25 COCCC(C)(C)CO MCULE-9804375786 [1,1,0,0,0,0|0,1,1]=4 374 B8R0.25 COCCC(C)(N)CO MCULE-9079600767 [1,1,0,0,0,0|1,0,1]=4 375 B8R0.25 COCCC(C)(O)CN MCULE-9408020201 [1,1,0,0,0,0|0,1,1]=4 376 B8R0.29 CC(=O)CCC(C)(C)C MCULE-2192082949 [1,1,0,0,0,0|1,0,0]=3 377 B8R0.29 CC(=O)CCC(C)(C)O MCULE-8412947781 [1,1,0,0,0,0|0,1,0]=3 378 B8R0.29 CC(=O)CNC(C)(C)C MCULE-4059953007 [1,1,0,0,0,0|2,0,0]=4 379 B8R0.29 CC(=O)CNC(C)(C)C MCULE-9982398249 [1,1,0,0,0,0|2,0,0]=4 380 B8R0.29 CC(=O)COC(C)(C)C MCULE-1842651618 [1,1,0,0,0,0|2,0,0]=4 381 B8R0.29 CC(=O)CSC(C)(C)C MCULE-8055514434 [1,1,0,0,0,0|2,0,0]=4 382 B8R0.29 CC(=O)OC[Si](C)(C)C MCULE-2980282217 [1,1,0,0,0,0|1,1,0]=4 383 B8R0.29 CC(=O)ONC(C)(C)C MCULE-1992189414 [1,1,0,0,0,0|2,0,0]=4 384 B8R0.29 CC(=O)ONC(C)(C)C MCULE-5238660928 [1,1,0,0,0,0|2,0,0]=4 385 B8R0.29 CC(C)(C)CCC(=O)O MCULE-8929874481 [1,1,0,0,0,0|1,0,0]=3 386 B8R0.29 CC(C)(C)CCN(=O)=O MCULE-3755410630 [1,1,0,0,0,0|2,0,0]=4 387 B8R0.29 CC(C)(C)CNC(=O)N MCULE-1062244536 [1,1,0,0,0,0|2,0,0]=4 388 B8R0.29 CC(C)(C)COC(=O)Cl MCULE-8215596189 [1,1,0,0,0,0|1,0,0]=3 389 B8R0.29 CC(C)(C)NCC(=O)Cl MCULE-4182814399 [1,1,0,0,0,0|2,0,0]=4 390 B8R0.29 CC(C)(C)NCC(=O)Cl MCULE-5526530619 [1,1,0,0,0,0|2,0,0]=4 391 B8R0.29 CC(C)(C)NCC(=O)N MCULE-8082980934 [1,1,0,0,0,0|2,0,0]=4 392 B8R0.29 CC(C)(C)NCC(=O)O MCULE-1149308055 [1,1,0,0,0,0|2,0,0]=4 393 B8R0.29 CC(C)(C)NCC(=O)O MCULE-9781967875 [1,1,0,0,0,0|2,0,0]=4 394 B8R0.29 CC(C)(C)NCC(=O)[O-] MCULE-2801469302 [1,1,0,0,0,0|2,0,0]=4 395 B8R0.29 CC(C)(C)OCC(=O)N MCULE-8627839273 [1,1,0,0,0,0|2,0,0]=4 396 B8R0.29 CC(C)(C)OCC(=O)O MCULE-9634856231 [1,1,0,0,0,0|2,0,0]=4 397 B8R0.29 CC(C)(C)SCC(=O)O MCULE-3761706328 [1,1,0,0,0,0|2,0,0]=4 398 B8R0.29 CC(C)(N)CCC(=O)O MCULE-1195501366 [1,1,0,0,0,0|1,0,0]=3 399 B8R0.29 CC(C)(N)CCC(=O)O MCULE-3901764815 [1,1,0,0,0,0|1,0,0]=3 400 B8R0.29 CC(C)(N)CNC(=O)N MCULE-6198119290 [1,1,0,0,0,0|2,0,0]=4 401 B8R0.29 CC(C)(N)CNC(=O)N MCULE-9211662894 [1,1,0,0,0,0|2,0,0]=4 402 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-1599861039 [1,1,0,0,0,0|0,1,0]=3 403 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-4576125997 [1,1,0,0,0,0|0,1,0]=3 404 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-9770985354 [1,1,0,0,0,0|0,1,0]=3 405 B8R0.29 CC(C)(O)CCN(=O)=O MCULE-3639598270 [1,1,0,0,0,0|1,1,0]=4 406 B8R0.29 CC(C)(S)CCC(=O)O MCULE-7771494478 [1,1,0,0,0,0|0,0,0]=2 407 B8R0.29 CC(F)(F)CCC(=O)O MCULE-6694097155 [1,1,0,0,0,0|2,0,0]=4 408 B8R0.29 CC(F)(F)COC(=O)Cl MCULE-7630962366 [1,1,0,0,0,0|2,0,0]=4 409 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [1,1,0,0,0,0|1,1,0]=4 410 B8R0.29 CP(=S)(C)CCC(=O)O MCULE-5422068119 [1,1,0,0,0,0|1,0,1]=4 411 B8R0.29 C[Si](C)(C)CCC(=O)O MCULE-7609579135 [1,1,0,0,0,0|1,1,0]=4 412 B8R0.29 C[Si](C)(C)CCC(=O)[O-] MCULE-2888786921 [1,1,0,0,0,0|1,1,0]=4 413 B10R0.12 CC(C)(C)C(Cl)CCC(=O)Cl MCULE-9820825868 [0,2,0,0,0,0|2,0,0]=4 414 B10R0.65 CCC(C)(C)CCCC(=O)O MCULE-9915000352 [0,2,0,0,0,0|2,0,0]=4 415 B10R0.65 COC(C)(C)CCOC(=O)C MCULE-7497422142 [0,2,0,0,0,0|0,1,0]=3 416 B10R0.92 CC(C)(C)CCC(=O)C(=O)O MCULE-9335475635 [0,2,0,0,0,0|2,0,0]=4 417 B10R0.92 CC(C)(C)CCC(N)C(=O)N MCULE-1396813261 [0,2,0,0,0,0|2,0,0]=4 418 B10R0.92 CC(C)(C)CCC(N)C(=O)N MCULE-2019136789 [0,2,0,0,0,0|2,0,0]=4 419 B10R0.92 CC(C)(C)CCC(N)C(=O)O MCULE-5001409958 [0,2,0,0,0,0|2,0,0]=4 420 B10R0.92 CC(C)(C)CCC(N)C(=O)O MCULE-7547332237 [0,2,0,0,0,0|2,0,0]=4 421 B10R0.92 CC(C)(C)CC[C@@H](N)C(=O)O MCULE-3569540908 [0,2,0,0,0,0|2,0,0]=4 422 B10R0.92 CC(C)(C)CC[C@@H](N)C(=O)O MCULE-9483102958 [0,2,0,0,0,0|2,0,0]=4 423 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O MCULE-5183011899 [0,2,0,0,0,0|2,0,0]=4 424 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O MCULE-8076963991 [0,2,0,0,0,0|2,0,0]=4 425 B10R0.92 CC(CCC(C)(C)C)C(=O)O MCULE-1597063738 [0,2,0,0,0,0|2,0,0]=4 426 B10R0.15 CC(C)(C)CCCCC(=O)O MCULE-8286567269 [0,2,0,0,0,0|2,0,0]=4 427 B10R0.15 CC(C)(C)OCCCC(=O)O MCULE-2716548684 [0,2,0,0,0,0|2,0,0]=4 428 B10R0.15 CC(C)(C)SCCCC(=O)O MCULE-5087513039 [0,2,0,0,0,0|2,0,0]=4 429 B10R0.28 C=CCOC(C)CC(C)(C)O MCULE-4473904873 [0,2,0,0,0,0|1,1,0]=4 430 B10R0.28 CC(CCC=O)CC(C)(C)C MCULE-3437563453 [0,2,0,0,0,0|2,0,0]=4 431 B10R0.60 C=CC(=O)OCC[N+](C)(C)C MCULE-6271573439 [0,2,0,0,0,0|2,0,0]=4 432 B10R0.60 C=CC(=O)OCC[N+](C)(C)C MCULE-9847015860 [0,2,0,0,0,0|2,0,0]=4 433 B10R0.60 CC(C)(C)CCNC(=O)CCl MCULE-7708571812 [0,2,0,0,0,0|2,0,0]=4 434 B10R0.60 CCC(=O)OCC[N+](C)(C)C MCULE-6521370136 [0,2,0,0,0,0|2,0,0]=4 435 B10R0.60 CCC(=O)OCC[N+](C)(C)C MCULE-7044709441 [0,2,0,0,0,0|2,0,0]=4 436 B10R0.60 C[N+](C)(C)CCOC(=O)CBr MCULE-5291465183 [0,2,0,0,0,0|2,0,0]=4 437 B10R0.60 C[N+](C)(C)CCOC(=O)CBr MCULE-6766438834 [0,2,0,0,0,0|2,0,0]=4 438 B10R0.60 C[Si](C)(C)CCOC(=O)NN MCULE-3361707261 [0,2,0,0,0,0|1,1,0]=4 439 B10R0.31 CC(=O)CC(C)CC(C)(C)C MCULE-9082084348 [0,2,0,0,0,0|2,0,0]=4 440 B10R0.31 CC(=O)OC(C)CC(C)(C)O MCULE-3366827005 [0,2,0,0,0,0|0,1,0]=3 441 B10R0.31 CC(=O)OC(C)C[N+](C)(C)C MCULE-3342474130 [0,2,0,0,0,0|2,0,0]=4 442 B10R0.31 CC(=O)OC(C)C[N+](C)(C)C MCULE-6246299571 [0,2,0,0,0,0|2,0,0]=4 443 B10R0.31 CC(=O)OC(C)C[N+](C)(C)C MCULE-8410768394 [0,2,0,0,0,0|2,0,0]=4 444 B10R0.31 CC(C)(C)CC(N)CC(=O)O MCULE-6200056500 [0,2,0,0,0,0|2,0,0]=4 445 B10R0.31 CC(C)(C)CC(N)CC(=O)O MCULE-8474644246 [0,2,0,0,0,0|2,0,0]=4 446 B10R0.31 CC(C)(C)CC(O)CC(=O)O MCULE-2681590744 [0,2,0,0,0,0|2,0,0]=4 447 B10R0.31 CC(C)(C)C[C@H](N)CC(=O)O MCULE-4145699901 [0,2,0,0,0,0|2,0,0]=4 448 B10R0.31 CC(CC(=O)Cl)CC(C)(C)C MCULE-1318704435 [0,2,0,0,0,0|2,0,0]=4 449 B10R0.31 CC(CC(=O)N)CC(C)(C)C MCULE-2949303662 [0,2,0,0,0,0|2,0,0]=4 450 B10R0.31 CC(CC(=O)O)CC(C)(C)C MCULE-6835808948 [0,2,0,0,0,0|2,0,0]=4 451 B10R0.31 CC(C[N+](C)(C)C)OC(=O)N MCULE-3425585639 [0,2,0,0,0,0|2,0,0]=4 452 B10R0.31 C[C@@H](C[N+](C)(C)C)OC(=O)N MCULE-1662441506 [0,2,0,0,0,0|2,0,0]=4 453 B10R0.31 C[C@@H](C[N+](C)(C)C)OC(=O)N MCULE-5191975275 [0,2,0,0,0,0|2,0,0]=4 454 B10R0.31 C[C@H](C[N+](C)(C)C)OC(=O)N MCULE-6417112913 [0,2,0,0,0,0|2,0,0]=4 455 B10R0.31 C[C@H](C[N+](C)(C)C)OC(=O)N MCULE-6597981085 [0,2,0,0,0,0|2,0,0]=4 456 B10R0.48 CC(C)(C)CC(C)(C)NC=O MCULE-1152516601 [0,2,0,0,0,0|2,0,0]=4 457 B10R0.113 CC(C)(C)CCOS(=O)(=O)C MCULE-9874340469 [0,2,0,0,0,0|2,0,0]=4 458 B10R0.113 CC(C)(C)CCOS(=O)(=S)C MCULE-3901324548 [0,2,0,0,0,0|2,0,0]=4 459 B10R0.113 CC(C)(O)CCOS(=O)(=O)C MCULE-6503065214 [0,2,0,0,0,0|1,1,0]=4 460 B8R1.1 CC1CCC(C1)C=O MCULE-9381232427 [1,0,0,1,0,0|1,0,0]=3 461 B8R1.4 C1(CC(=O)CCN1)C MCULE-1061296374 [1,0,0,1,0,0|2,0,0]=4 462 B8R1.4 C1(CC(=O)CCN1)C MCULE-4465075512 [1,0,0,1,0,0|2,0,0]=4 463 B8R1.4 C1(CC(=O)CCN1)C MCULE-9958407361 [1,0,0,1,0,0|2,0,0]=4 464 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [1,0,0,1,0,0|0,0,2]=4 465 B8R1.4 CC1CC(=O)CCN1 MCULE-3306158037 [1,0,0,1,0,0|2,0,0]=4 466 B8R1.4 CC1CC(=O)CCN1 MCULE-4556824309 [1,0,0,1,0,0|2,0,0]=4 467 B8R1.4 CC1CC(=O)CCN1 MCULE-6103506996 [1,0,0,1,0,0|2,0,0]=4 468 B8R1.4 CC1CC(=O)CCN1 MCULE-9670943852 [1,0,0,1,0,0|2,0,0]=4 469 B8R1.4 CC1CC(=O)CCO1 MCULE-3051168755 [1,0,0,1,0,0|2,0,0]=4 470 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [1,0,0,1,0,0|1,0,0]=3 471 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [1,0,0,1,0,0|1,0,0]=3 472 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [1,0,0,1,0,0|2,0,0]=4 473 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [1,0,0,1,0,0|1,1,0]=4 474 B8R1.4 CC1CCN=C(S1)N MCULE-2188659606 [1,0,0,1,0,0|2,0,0]=4 475 B8R1.4 CC1CCN=C(S1)N MCULE-8502352820 [1,0,0,1,0,0|2,0,0]=4 476 B8R1.4 CC1CCNC(=N)C1 MCULE-2615774284 [1,0,0,1,0,0|2,0,0]=4 477 B8R1.4 CC1CCNC(=N)C1 MCULE-9034088725 [1,0,0,1,0,0|2,0,0]=4 478 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [1,0,0,1,0,0|1,0,0]=3 479 B8R1.4 CC1CCNC(=O)N1 MCULE-6491047836 [1,0,0,1,0,0|2,0,0]=4 480 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [1,0,0,1,0,0|0,0,0]=2 481 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [1,0,0,1,0,0|0,1,0]=3 482 B8R1.4 CC1CCOS(=O)O1 MCULE-8688981983 [1,0,0,1,0,0|1,1,0]=4 483 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [1,0,0,1,0,0|2,0,0]=4 484 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [1,0,0,1,0,0|2,0,0]=4 485 B8R1.4 CN1CCNC(=O)C1 MCULE-5564854834 [1,0,0,1,0,0|2,0,0]=4 486 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [1,0,0,1,0,0|1,0,0]=3 487 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [1,0,0,1,0,0|1,0,0]=3 488 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7688577280 [1,0,0,1,0,0|2,0,0]=4 489 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7762440526 [1,0,0,1,0,0|2,0,0]=4 490 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-8158589956 [1,0,0,1,0,0|2,0,0]=4 491 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-9544551566 [1,0,0,1,0,0|2,0,0]=4 492 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-4878813100 [1,0,0,1,0,0|2,0,0]=4 493 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-7917159022 [1,0,0,1,0,0|2,0,0]=4 494 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [1,0,0,1,0,0|1,0,0]=3 495 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [1,0,0,1,0,0|1,0,0]=3 496 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [1,0,0,1,0,0|2,0,0]=4 497 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [1,0,0,1,0,0|2,0,0]=4 498 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [1,0,0,1,0,0|1,1,0]=4 499 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [1,0,0,1,0,0|1,1,0]=4 500 B8R1.4 C[C@@H]1CCN=C(S1)N MCULE-5066686774 [1,0,0,1,0,0|2,0,0]=4 501 B8R1.4 C[C@@H]1CCN=C(S1)N MCULE-6965708093 [1,0,0,1,0,0|2,0,0]=4 502 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-1599463757 [1,0,0,1,0,0|2,0,0]=4 503 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-4580048332 [1,0,0,1,0,0|2,0,0]=4 504 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5356496154 [1,0,0,1,0,0|2,0,0]=4 505 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5733481696 [1,0,0,1,0,0|2,0,0]=4 506 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-6641640616 [1,0,0,1,0,0|2,0,0]=4 507 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-8001129555 [1,0,0,1,0,0|2,0,0]=4 508 B8R1.4 C[C@H]1CC(=O)CCO1 MCULE-7799394182 [1,0,0,1,0,0|2,0,0]=4 509 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [1,0,0,1,0,0|1,0,0]=3 510 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [1,0,0,1,0,0|1,0,0]=3 511 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [1,0,0,1,0,0|1,0,0]=3 512 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [1,0,0,1,0,0|2,0,0]=4 513 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [1,0,0,1,0,0|2,0,0]=4 514 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [1,0,0,1,0,0|2,0,0]=4 515 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [1,0,0,1,0,0|2,0,0]=4 516 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [1,0,0,1,0,0|2,0,0]=4 517 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [1,0,0,1,0,0|2,0,0]=4 518 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [1,0,0,1,0,0|2,0,0]=4 519 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [1,0,0,1,0,0|2,0,0]=4 520 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [1,0,0,1,0,0|2,0,0]=4 521 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [1,0,0,1,0,0|2,0,0]=4 522 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [1,0,0,1,0,0|2,0,0]=4 523 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [1,0,0,1,0,0|2,0,0]=4 524 B8R1.4 O=C1CC(CCN1)F MCULE-3828280868 [1,0,0,1,0,0|2,0,0]=4 525 B8R1.4 O=C1CC(CCN1)F MCULE-8150833328 [1,0,0,1,0,0|2,0,0]=4 526 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [1,0,0,1,0,0|1,1,0]=4 527 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [1,0,0,1,0,0|1,1,0]=4 528 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [1,0,0,1,0,0|1,1,0]=4 529 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [1,0,0,1,0,0|1,1,0]=4 530 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [1,0,0,1,0,0|0,1,1]=4 531 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [1,0,0,1,0,0|1,1,0]=4 532 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [1,0,0,1,0,0|1,1,0]=4 533 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [1,0,0,1,0,0|1,1,0]=4 534 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [1,0,0,1,0,0|1,1,0]=4 535 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [1,0,0,1,0,0|2,0,0]=4 536 B8R1.19 CC1(CC=CC1=O)C MCULE-5478168383 [1,0,0,1,0,0|1,0,1]=4 537 B8R1.19 CC1(CCC=N1=O)C MCULE-3270262370 [1,0,0,1,0,0|2,0,0]=4 538 B8R1.19 CC1(CCCC1=O)C MCULE-2010694408 [1,0,0,1,0,0|1,0,0]=3 539 B8R1.19 CC1(CCCC1=O)F MCULE-5382994089 [1,0,0,1,0,0|2,0,0]=4 540 B8R1.19 CC1(CCN=C1S)C MCULE-9605141691 [1,0,0,1,0,0|1,1,0]=4 541 B8R1.19 CC1(CCNC1=O)C MCULE-6714447777 [1,0,0,1,0,0|1,0,0]=3 542 B8R1.19 CC1(CCNC1=O)C MCULE-7206545498 [1,0,0,1,0,0|1,0,0]=3 543 B8R1.19 CC1(CCNC1=O)N MCULE-2999548291 [1,0,0,1,0,0|2,0,0]=4 544 B8R1.19 CC1(CCNC1=O)O MCULE-2802989638 [1,0,0,1,0,0|1,1,0]=4 545 B8R1.19 CC1(CCOC1=O)Br MCULE-3061445898 [1,0,0,1,0,0|1,0,0]=3 546 B8R1.19 CC1(CCOC1=O)C MCULE-4294599964 [1,0,0,1,0,0|0,0,0]=2 547 B8R1.19 CC1(CCOC1=O)N MCULE-5332143573 [1,0,0,1,0,0|1,0,0]=3 548 B8R1.19 CC1(CCOC1=O)N MCULE-6557455932 [1,0,0,1,0,0|1,0,0]=3 549 B8R1.19 CC1(COCC1=O)C MCULE-8148059071 [1,0,0,1,0,0|2,0,0]=4 550 B8R1.19 CC1(CONC1=O)C MCULE-5889106208 [1,0,0,1,0,0|2,0,0]=4 551 B8R1.19 CC1(NCCC1=O)C MCULE-1973849102 [1,0,0,1,0,0|2,0,0]=4 552 B8R1.19 CC1(NCCC1=O)C MCULE-6763568764 [1,0,0,1,0,0|2,0,0]=4 553 B8R1.19 CC1(OCCC1=O)C MCULE-3204846453 [1,0,0,1,0,0|2,0,0]=4 554 B8R1.31 CC(C)C1CCC1=O MCULE-1869737626 [1,0,0,1,0,0|1,0,0]=3 555 B8R1.36 O=CCCCC1CC1 MCULE-4652283620 [1,0,0,1,0,0|1,0,0]=3 556 B8R1.48 CC1(CCC1C=O)C MCULE-7554232893 [1,0,0,1,0,0|1,0,0]=3 557 B8R1.72 CC1(CCOCO1)C MCULE-7025894167 [1,0,0,1,0,0|0,0,2]=4 558 B8R1.41 COCCC1(CC1)N MCULE-3979238152 [1,0,0,1,0,0|1,0,1]=4 559 B8R1.41 COCCC1(CC1)N MCULE-4345460554 [1,0,0,1,0,0|1,0,1]=4 560 B8R1.51 CC1(CC(=O)CN1)C MCULE-3002354818 [1,0,0,1,0,0|2,0,0]=4 561 B8R1.51 CC1(CC(=O)CO1)C MCULE-3813236339 [1,0,0,1,0,0|2,0,0]=4 562 B8R1.51 CC1(CC(=O)CS1)C MCULE-8119393989 [1,0,0,1,0,0|2,0,0]=4 563 B8R1.51 CC1(CCC(=O)C1)C MCULE-9814375082 [1,0,0,1,0,0|1,0,0]=3 564 B8R1.51 CC1(CCC(=O)N1)C MCULE-2538104334 [1,0,0,1,0,0|1,0,0]=3 565 B8R1.51 CC1(CCC(=O)O1)C MCULE-3069658569 [1,0,0,1,0,0|0,1,0]=3 566 B8R1.51 CC1(CNC(=O)C1)C MCULE-1184902754 [1,0,0,1,0,0|2,0,0]=4 567 B8R1.51 CC1(CNC(=O)C1)O MCULE-3317128471 [1,0,0,1,0,0|1,1,0]=4 568 B8R1.51 CC1(CNC(=O)N1)C MCULE-2885809296 [1,0,0,1,0,0|2,0,0]=4 569 B8R1.51 CC1(CNC(=O)O1)C MCULE-9188826896 [1,0,0,1,0,0|1,1,0]=4 570 B8R1.51 CC1(COC(=N1)N)C MCULE-6966870092 [1,0,0,1,0,0|2,0,0]=4 571 B8R1.51 CC1(COC(=O)C1)C MCULE-2810911497 [1,0,0,1,0,0|1,0,0]=3 572 B8R1.51 CC1(COC(=O)N1)C MCULE-9709457440 [1,0,0,1,0,0|1,0,0]=3 573 B8R1.51 CC1(COC(=S)N1)C MCULE-2461637364 [1,0,0,1,0,0|1,1,0]=4 574 B8R1.51 CC1(NCC(=O)N1)C MCULE-4375597060 [1,0,0,1,0,0|2,0,0]=4 575 B8R1.51 CC1(OCC(=O)O1)C MCULE-5121540413 [1,0,0,1,0,0|1,1,0]=4 576 B8R1.51 CC1=NC(CO1)(C)C MCULE-5229270650 [1,0,0,1,0,0|2,0,0]=4 577 B8R1.53 CC1(CC(C1)C=O)C MCULE-1414928919 [1,0,0,1,0,0|1,0,0]=3 578 B8R1.53 O=CC1CC(C1)(F)F MCULE-3061488074 [1,0,0,1,0,0|2,0,0]=4 579 B8R1.55 CC(C)(N)C1COC1 MCULE-6277200928 [1,0,0,1,0,0|1,0,1]=4 580 B8R1.56 CC(C)(O)CC1CO1 MCULE-5422627688 [1,0,0,1,0,0|0,1,1]=4 581 B10R1.55 CC(C)(C)C1CCC(=O)C1 MCULE-7501158360 [0,1,0,1,0,0|2,0,0]=4 582 B10R1.55 CC(C)(C)C1CNC(=O)C1 MCULE-7283554407 [0,1,0,1,0,0|2,0,0]=4 583 B10R1.55 CC(C)(C)C1COC(=O)N1 MCULE-3263168022 [0,1,0,1,0,0|1,0,0]=3 584 B10R1.55 CC(C)(C)[C@@H]1CCC(=O)C1 MCULE-1622093899 [0,1,0,1,0,0|2,0,0]=4 585 B10R1.55 CC(C)(C)[C@@H]1COC(=O)N1 MCULE-3280533205 [0,1,0,1,0,0|1,0,0]=3 586 B10R1.55 CC(C)(C)[C@@H]1COC(=O)N1 MCULE-7533322020 [0,1,0,1,0,0|1,0,0]=3 587 B10R1.55 CC(C)(C)[C@H]1CCC(=O)C1 MCULE-9469597762 [0,1,0,1,0,0|2,0,0]=4 588 B10R1.55 CC(C)(C)[C@H]1COC(=O)N1 MCULE-3742807975 [0,1,0,1,0,0|1,0,0]=3 589 B10R1.55 CC(C)(C)[C@H]1COC(=O)N1 MCULE-8124730338 [0,1,0,1,0,0|1,0,0]=3 590 B10R1.55 CC(C)(O)C1CNC(=O)C1 MCULE-7103671164 [0,1,0,1,0,0|1,1,0]=4 591 B10R1.120 CC1(CC(=O)CCC1O)C MCULE-3406731798 [0,1,0,1,0,0|2,0,0]=4 592 B10R1.120 CC1(NC(=O)CCC1O)C MCULE-2400139362 [0,1,0,1,0,0|2,0,0]=4 593 B10R1.170 CC(C)(C)C1CC(C1)C=O MCULE-2665298424 [0,1,0,1,0,0|2,0,0]=4 594 B10R1.26 CC1(CCC(CC1)C=O)C MCULE-2679088241 [0,1,0,1,0,0|2,0,0]=4 595 B10R1.26 CC1(CCC(CO1)C=O)C MCULE-6081039360 [0,1,0,1,0,0|1,1,0]=4 596 B10R1.95 CC1(OC[C@@H](O1)CC=O)C MCULE-2723065163 [0,1,0,1,0,0|1,1,0]=4 597 B10R1.95 CC1(OC[C@@H](O1)CC=O)C MCULE-7434678508 [0,1,0,1,0,0|1,1,0]=4 598 B10R1.302 CC1(CCCC(=O)CC1)C MCULE-5213760827 [0,1,0,1,0,0|2,0,0]=4 599 B10R1.302 CC1(CCNC(=O)CC1)C MCULE-9357411612 [0,1,0,1,0,0|2,0,0]=4 600 B10R1.302 CC1(CCOC(=O)CC1)C MCULE-9905478886 [0,1,0,1,0,0|1,0,0]=3 601 B10R1.485 CC1(CCCC(=O)C1)C#N MCULE-6987346099 [0,1,0,1,0,0|2,0,0]=4 602 B10R1.147 CC1CCC(CC1=O)(C)C MCULE-4890293189 [0,1,0,1,0,0|2,0,0]=4 603 B10R1.65 CC(C)(C)C1CCCC1=O MCULE-9201623369 [0,1,0,1,0,0|2,0,0]=4 604 B10R1.65 CC(C)(C)N1CCCC1=O MCULE-7611968227 [0,1,0,1,0,0|2,0,0]=4 605 B10R1.65 CC(C)(C)N1CCNC1=O MCULE-6624729151 [0,1,0,1,0,0|2,0,0]=4 606 B10R1.65 C[Si](C)(C)N1CCOC1=O MCULE-8055428291 [0,1,0,1,0,0|1,1,0]=4 607 B10R1.171 CC1(CC(CCO1)C=O)C MCULE-7681885506 [0,1,0,1,0,0|2,0,0]=4 608 B10R1.171 CC1(CCCC(C1)C=O)C MCULE-2204954553 [0,1,0,1,0,0|2,0,0]=4 609 B10R1.171 CC1(C[C@H](CCO1)C=O)C MCULE-3961352621 [0,1,0,1,0,0|2,0,0]=4 610 B10R1.276 CC1(CC(=O)NCCN1)C MCULE-9475132905 [0,1,0,1,0,0|2,0,0]=4 611 B10R1.276 CC1(CNCCC(=O)C1)C MCULE-8542263689 [0,1,0,1,0,0|2,0,0]=4 612 B10R1.276 CC1(CNCCC(=O)C1)C MCULE-8989035713 [0,1,0,1,0,0|2,0,0]=4 613 B10R1.329 CC1(CC(=O)CC(=O)S1)C MCULE-3161141847 [0,1,0,1,0,0|1,0,1]=4 614 B10R1.329 CC1(CC(=O)OC(=O)C1)C MCULE-1747312582 [0,1,0,1,0,0|1,0,1]=4 615 B10R1.329 CC1(CC(=O)OC(=O)C1)O MCULE-5750197379 [0,1,0,1,0,0|0,1,1]=4 616 B10R1.329 CC1(CC(CC(=O)N1)N)C MCULE-5922342661 [0,1,0,1,0,0|2,0,0]=4 617 B10R1.329 CC1(CC(CC(=O)N1)N)C MCULE-7808338375 [0,1,0,1,0,0|2,0,0]=4 618 B10R1.329 CC1=NC(CC(O1)C)(C)C MCULE-8795092704 [0,1,0,1,0,0|2,0,0]=4 619 B10R1.329 CC1CC(=O)CC(C1)(C)C MCULE-9871375617 [0,1,0,1,0,0|2,0,0]=4 620 B10R1.329 CC1CC(N=C(O1)S)(C)C MCULE-1636063872 [0,1,0,1,0,0|1,1,0]=4 621 B10R1.329 CC1CC(NC(=O)O1)(C)C MCULE-9059038179 [0,1,0,1,0,0|1,0,0]=3 622 B10R1.329 C[C@H]1CC(=O)CC(C1)(C)C MCULE-8164278833 [0,1,0,1,0,0|2,0,0]=4 623 B10R1.350 CC1(CC1)CCCC(=O)O MCULE-2954866291 [0,1,0,1,0,0|2,0,0]=4 624 B10R1.352 CC1(CC1CCC(=O)O)C MCULE-6164876776 [0,1,0,1,0,0|2,0,0]=4 625 B10R1.359 CC(=O)N1CCC(C1)(C)O MCULE-8587632489 [0,1,0,1,0,0|1,1,0]=4 626 B10R1.359 CC1(CCC(C1)C(=O)O)C MCULE-9978136872 [0,1,0,1,0,0|2,0,0]=4 627 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5310172848 [0,1,0,1,0,0|2,0,0]=4 628 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5921965282 [0,1,0,1,0,0|2,0,0]=4 629 B10R1.359 CC1(CCC(O1)C(=O)O)C MCULE-6347581531 [0,1,0,1,0,0|1,1,0]=4 630 B10R2.177 CC12CC(=O)CCC1C2 MCULE-5784409358 [0,0,0,2,0,0|2,0,0]=4 631 B10R2.179 CC12CCCC(=O)C1C2 MCULE-5216940743 [0,0,0,2,0,0|2,0,0]=4 632 B10R2.179 CC12CCCC(=O)C1O2 MCULE-5513375456 [0,0,0,2,0,0|1,1,0]=4 633 B10R2.534 O=C1CC2(CCN1)CC2 MCULE-7166283633 [0,0,0,2,0,0|2,0,0]=4 634 B10R2.534 O=C1CCCC2(C1)CC2 MCULE-4819962384 [0,0,0,2,0,0|2,0,0]=4 635 B10R2.534 O=C1CCCC2(N1)CC2 MCULE-3728161144 [0,0,0,2,0,0|2,0,0]=4