0 B9R0.1 C=C/C(=C/CC=C(C)C)/C MCULE-4471176275 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.1 C=CC(=C)CCC=C(C)C MCULE-2247928070 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.1 C=CC(=CCC=C(C)C)C MCULE-2222336240 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.1 C=CC(=O)NCCN(C)C MCULE-7028967910 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.1 C=CC(=O)OCCC(C)C MCULE-5192931697 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.1 C=CC(=O)OCCN(C)C MCULE-9056293498 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.1 CC(=CCCC(C)C=O)C MCULE-6765236802 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.1 CC=C(C)C=CC=C(C)C MCULE-6256131722 [0,0,0,0,0,0|0,0,4]=4 8 B9R0.1 CN[C@H](C)CCC=C(C)C MCULE-1274555304 [0,0,0,0,0,0|1,0,3]=4 9 B8R0.6 C=CC(=O)CCCCC MCULE-9094274880 [1,0,0,0,0,0|1,0,2]=4 10 B8R0.7 C=CCCCCC(=O)C MCULE-4268619428 [1,0,0,0,0,0|1,0,2]=4 11 B8R0.7 C=CCCCOC(=O)C MCULE-2972695808 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.7 C=CCNCC=C(C)Cl MCULE-2495016323 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.7 C=CCNCC=C(C)Cl MCULE-2773050930 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.7 CC=CCCCC(=O)C MCULE-7957571875 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.28 C=C(C)CCCC(C)C MCULE-5830488183 [1,0,0,0,0,0|0,0,3]=4 16 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.28 CC(=CCCC(C)N)C MCULE-4339510061 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.28 CC(=CCCC(C)O)C MCULE-6046871097 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.28 CC(=CCC[C@@H](C)O)C MCULE-5913564496 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.28 CC(=CCC[C@@H](C)O)C MCULE-8239445037 [1,0,0,0,0,0|1,0,2]=4 21 B8R0.28 CC(=CCC[C@H](C)O)C MCULE-3685132186 [1,0,0,0,0,0|1,0,2]=4 22 B8R0.28 CC(=CCC[C@H](C)O)C MCULE-7339160655 [1,0,0,0,0,0|1,0,2]=4 23 B8R0.28 CC(=CCNC(=N)N)C MCULE-7530787437 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.28 CC(=CCNC(=N)N)C MCULE-8656937078 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.28 CC(=CCNC(=N)N)C MCULE-9564729624 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.28 CC(=O)CCC=C(C)C MCULE-3832720881 [1,0,0,0,0,0|1,0,1]=3 27 B8R0.28 CC(=O)OCC=C(C)C MCULE-1590395935 [1,0,0,0,0,0|2,0,1]=4 28 B10R0.3 C=C(C)CCCC(=CC=O)C MCULE-3325268372 [0,1,0,0,0,0|0,0,3]=4 29 B10R0.3 C=CC=C(C)CCC=C(C)C MCULE-6184569010 [0,1,0,0,0,0|0,0,1]=2 30 B10R0.3 CC(=CCC/C(=C/C#N)/C)C MCULE-6692599891 [0,1,0,0,0,0|0,0,2]=3 31 B10R0.3 CC(=CCC/C(=C/C=O)/C)C MCULE-9879493059 [0,1,0,0,0,0|0,0,1]=2 32 B10R0.3 CC(=CCC/C(=C/CBr)/C)C MCULE-9024059261 [0,1,0,0,0,0|0,0,2]=3 33 B10R0.3 CC(=CCC/C(=C/CCl)/C)C MCULE-6843014043 [0,1,0,0,0,0|0,0,2]=3 34 B10R0.3 CC(=CCC/C(=C/CN)/C)C MCULE-7548252563 [0,1,0,0,0,0|0,0,2]=3 35 B10R0.3 CC(=CCC/C(=C/CN)/C)C MCULE-9951707217 [0,1,0,0,0,0|0,0,2]=3 36 B10R0.3 CC(=CCC/C(=C/CO)/C)C MCULE-9442424770 [0,1,0,0,0,0|0,0,2]=3 37 B10R0.3 CC(=CCC/C(=C\CO)/C)C MCULE-9192624300 [0,1,0,0,0,0|0,0,2]=3 38 B10R0.3 CC(=CCCC(=CC#N)C)C MCULE-7916897836 [0,1,0,0,0,0|0,0,2]=3 39 B10R0.3 CC(=CCCC(=CC=O)C)C MCULE-3630781826 [0,1,0,0,0,0|0,0,1]=2 40 B10R0.3 CC(=CCCC(=CCBr)C)C MCULE-5311545534 [0,1,0,0,0,0|0,0,2]=3 41 B10R0.3 CC(=CCCC(=CCCl)C)C MCULE-7655016155 [0,1,0,0,0,0|0,0,2]=3 42 B10R0.3 CC(=CCCC(=CCN)C)C MCULE-4232398028 [0,1,0,0,0,0|0,0,2]=3 43 B10R0.3 CC(=CCCC(=CCN)C)C MCULE-4493382694 [0,1,0,0,0,0|0,0,2]=3 44 B10R0.3 CC(=CCCC(=CCO)C)C MCULE-8438901369 [0,1,0,0,0,0|0,0,2]=3 45 B10R0.3 CC(=CCCC(C)CC=O)C MCULE-7345203515 [0,1,0,0,0,0|0,0,3]=4 46 B10R0.3 CC(=CCCC(C)NC=O)C MCULE-9904135046 [0,1,0,0,0,0|1,0,2]=4 47 B10R0.3 CC(=CCC[C@@H](C)CC=O)C MCULE-9069221095 [0,1,0,0,0,0|0,0,3]=4 48 B10R0.3 CC(=CCC[C@@H](C)CC=O)C MCULE-9469254915 [0,1,0,0,0,0|0,0,3]=4 49 B10R0.3 CC(=CCC[C@H](C)CC=O)C MCULE-8401226542 [0,1,0,0,0,0|0,0,3]=4 50 B10R0.3 CC(=CCC[C@H](C)CC=O)C MCULE-9019201073 [0,1,0,0,0,0|0,0,3]=4 51 B10R0.3 CCOC(=O)CCC=C(C)C MCULE-5818108388 [0,1,0,0,0,0|1,0,2]=4 52 B10R0.44 C=CC(=C)CC(O)C=C(C)C MCULE-5950278843 [0,1,0,0,0,0|0,0,0]=1 53 B10R0.44 C=CC(=C)CC(O)CC(C)C MCULE-9715710452 [0,1,0,0,0,0|0,0,2]=3 54 B10R0.57 CCC(=O)C(C)CC=C(C)C MCULE-1075610884 [0,1,0,0,0,0|1,0,2]=4 55 B10R0.65 C=CC(C)(O)CCC=C(C)C MCULE-2407576698 [0,1,0,0,0,0|0,0,2]=3 56 B10R0.65 C=C[C@@](C)(O)CCC=C(C)C MCULE-4104124685 [0,1,0,0,0,0|0,0,2]=3 57 B10R0.65 C=C[C@](C)(O)CCC=C(C)C MCULE-2892441793 [0,1,0,0,0,0|0,0,2]=3 58 B10R0.65 C=C[C@](C)(O)CCC=C(C)C MCULE-4783414409 [0,1,0,0,0,0|0,0,2]=3 59 B10R0.82 C=CC(=C)CCC(=O)C(=C)C MCULE-3473379337 [0,1,0,0,0,0|0,0,1]=2 60 B10R1.13 C=C(C)C1=CC=C(CC1)C MCULE-8568677604 [0,0,0,1,0,0|0,0,2]=3 61 B10R1.13 C=C1C=CC(CC1)C(C)C MCULE-3969034493 [0,0,0,1,0,0|0,0,2]=3 62 B10R1.13 CC(=C1CC=C(CC1)Br)C MCULE-8162525678 [0,0,0,1,0,0|1,0,1]=3 63 B10R1.13 CC(=C1CCC(=O)CC1)C MCULE-1974192999 [0,0,0,1,0,0|1,0,2]=4 64 B10R1.13 CC(=O)C1=CC=C(CC1)C MCULE-6088214601 [0,0,0,1,0,0|1,0,1]=3 65 B10R1.13 CC(C)C1C=CC(=O)CC1 MCULE-4237895406 [0,0,0,1,0,0|1,0,2]=4 66 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 MCULE-7627894901 [0,0,0,1,0,0|1,0,2]=4 67 B10R1.13 CC1=CC=C(CC1)C(C)C MCULE-4783923707 [0,0,0,1,0,0|0,0,2]=3 68 B10R1.13 CC1=CCC(=C(C)C)CC1 MCULE-7193214900 [0,0,0,1,0,0|0,0,2]=3 69 B10R1.54 CC(=O)OC1C=CC(=O)C1 MCULE-1995104822 [0,0,0,1,0,0|3,0,0]=4 70 B10R1.54 CC(=O)OC1C=CC(=O)C1 MCULE-6098214127 [0,0,0,1,0,0|3,0,0]=4 71 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 MCULE-8759163146 [0,0,0,1,0,0|3,0,0]=4 72 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 MCULE-9642043866 [0,0,0,1,0,0|3,0,0]=4 73 B8R0.9 C=CC(=O)COC(=O)C MCULE-1008872923 [0,0,0,0,1,0|3,0,0]=4 74 B8R0.9 C=CC(=O)OCC(C)C MCULE-9738172155 [0,0,0,0,1,0|2,0,1]=4 75 B10R0.55 C=CC(=O)NCCCN(C)C MCULE-4258386376 [0,0,0,0,0,1|2,0,1]=4 76 B10R0.55 C=CC(=O)OCCCN(C)C MCULE-3751308279 [0,0,0,0,0,1|2,0,1]=4 77 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [2,0,0,0,0,0|1,0,1]=4 78 B7R0.3 C=CC(=C)CCCO MCULE-3558306961 [2,0,0,0,0,0|1,0,1]=4 79 B7R0.3 C=CCOC(=O)C=C MCULE-8478082091 [2,0,0,0,0,0|2,0,0]=4 80 B7R0.4 C=C(C)CCC=CC MCULE-7970794651 [2,0,0,0,0,0|0,0,1]=3 81 B7R0.4 C=CCCCC(C)C MCULE-7578384030 [2,0,0,0,0,0|0,0,2]=4 82 B7R0.4 C=CCCNC(C)C MCULE-4275849388 [2,0,0,0,0,0|1,0,1]=4 83 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.4 C=COCCN(C)C MCULE-5557000118 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.4 CC(=CCCC=O)C MCULE-3815388926 [2,0,0,0,0,0|1,0,0]=3 86 B7R0.4 CC(=CCCCO)C MCULE-5263952692 [2,0,0,0,0,0|1,0,1]=4 87 B7R0.4 CC(=CCOC=O)C MCULE-1475053986 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [2,0,0,0,0,0|2,0,0]=4 89 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [1,1,0,0,0,0|1,0,1]=4 90 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [1,1,0,0,0,0|2,0,0]=4 91 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [1,1,0,0,0,0|2,0,0]=4 92 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [1,1,0,0,0,0|2,0,0]=4 93 B11R0.6 CC(=CCC/C(=C/C(=O)O)/C)C MCULE-1214369808 [0,2,0,0,0,0|0,0,1]=3 94 B11R0.6 CC(=CCC/C(=C\C(=O)O)/C)C MCULE-3232225553 [0,2,0,0,0,0|0,0,1]=3 95 B11R0.6 CC(=CCCC(=CC(=O)O)C)C MCULE-6185216642 [0,2,0,0,0,0|0,0,1]=3 96 B11R0.147 C(=N/O)\C=C(/C)\CCC=C(C)C MCULE-5600417698 [0,2,0,0,0,0|0,0,1]=3 97 B11R0.147 C(=NO)C=C(C)CCC=C(C)C MCULE-9674607930 [0,2,0,0,0,0|0,0,1]=3 98 B11R0.147 COCC=C(C)CCC=C(C)C MCULE-3963813373 [0,2,0,0,0,0|0,0,2]=4 99 B11R0.320 C=CC(C)(O)CCC=C(C)CC MCULE-3687105535 [0,2,0,0,0,0|0,0,2]=4 100 B11R0.320 C=CC(C)(O)CCC=C(C)CO MCULE-8394479796 [0,2,0,0,0,0|0,0,2]=4 101 B9R1.2 C=CC1=CC(=CC=C1)C MCULE-3928901922 [1,0,0,1,0,0|0,0,2]=4 102 B9R1.2 C=CC1=CN=CC(=C1)C MCULE-8244224262 [1,0,0,1,0,0|1,0,1]=4 103 B9R1.2 C=CC1=NC=CC(=C1)C MCULE-8226074579 [1,0,0,1,0,0|1,0,1]=4 104 B9R1.6 CC(C)C1=CC=CCC1 MCULE-7070052938 [1,0,0,1,0,0|0,0,1]=3 105 B9R1.10 CC1(C=CC(=O)CC1)C MCULE-5124770449 [0,0,0,1,1,0|1,0,1]=4 106 B11R1.157 CC(=CC1CC(=CCO1)C)C MCULE-8051805329 [0,1,0,1,0,0|0,0,2]=4 107 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 MCULE-2108234131 [0,1,0,1,0,0|0,0,1]=3 108 B11R1.172 CC(=CCCC1=COC=C1)C MCULE-1929621093 [0,1,0,1,0,0|0,0,0]=2 109 B11R1.172 CC(=O)NCCC1=COC=C1 MCULE-5271070237 [0,1,0,1,0,0|2,0,0]=4 110 B7R0.6 C=C(C)CCC(=C)C MCULE-6018302318 [1,0,0,0,1,0|0,0,2]=4 111 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [1,0,0,0,1,0|1,0,1]=4 112 B7R0.6 C=C(C)CCC(C)C MCULE-2459654294 [1,0,0,0,1,0|0,0,2]=4 113 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [1,0,0,0,1,0|2,0,0]=4 114 B7R0.6 CC(=CCC(=O)[O-])C MCULE-6283758684 [1,0,0,0,1,0|2,0,0]=4 115 B7R0.2 C=CC(=O)C=C(C)C MCULE-3761351531 [0,0,0,0,2,0|1,0,0]=3 116 B7R0.2 C=CC(=O)CC(C)C MCULE-2912404970 [0,0,0,0,2,0|1,0,1]=4