0 B13R0.280 CCCCCCCCCCP(=O)(C)C MCULE-7993897252 [0,0,0,0,0,0|4,0,0]=4 1 B13R0.280 CCCCCCCCCC[N+](C)(C)C MCULE-3384760582 [0,0,0,0,0,0|4,0,0]=4 2 B13R0.280 CCCCCCCCCC[N+](C)(C)C MCULE-7441976704 [0,0,0,0,0,0|4,0,0]=4 3 B13R0.280 CCCCCCCCCC[N+](C)(C)C MCULE-9457271107 [0,0,0,0,0,0|4,0,0]=4 4 B13R0.280 CCCCCCCCCC[N+](C)(C)[O-] MCULE-9878706939 [0,0,0,0,0,0|4,0,0]=4 5 B13R0.280 CCCCCCCCCC[Si](C)(C)Cl MCULE-6793568340 [0,0,0,0,0,0|3,1,0]=4 6 B13R0.280 CCCCCCCCCC[Si](C)(Cl)Cl MCULE-9569407905 [0,0,0,0,0,0|3,1,0]=4 7 B13R0.280 FC(F)(F)CCCCCCCCCBr MCULE-3837488406 [0,0,0,0,0,0|4,0,0]=4 8 B13R0.280 FC(F)(F)CCCCCCCCCI MCULE-8268666199 [0,0,0,0,0,0|4,0,0]=4 9 B12R0.119 CCCCCCCCCC(C)(C)S MCULE-3176642019 [1,0,0,0,0,0|2,0,0]=3 10 B12R0.119 CCCCCCCCCC(F)(F)F MCULE-3213902129 [1,0,0,0,0,0|3,0,0]=4 11 B12R0.119 CCCCCCCCC[N+](C)(C)C MCULE-4520557522 [1,0,0,0,0,0|3,0,0]=4 12 B12R0.119 CCCCCCCCC[N+](C)(C)C MCULE-7843133892 [1,0,0,0,0,0|3,0,0]=4 13 B12R0.119 CCCCCCCCOC(C)(C)C MCULE-3872927041 [1,0,0,0,0,0|3,0,0]=4 14 B12R0.234 C=C(C)CCCCCCCCCC MCULE-5430192671 [1,0,0,0,0,0|2,0,1]=4 15 B12R0.234 CCCCCCCCCCC(=O)C MCULE-3936750617 [1,0,0,0,0,0|2,0,1]=4 16 B12R0.234 CCCCCCCCCCC(C)N MCULE-6206499625 [1,0,0,0,0,0|2,0,0]=3 17 B12R0.234 CCCCCCCCCCC(C)O MCULE-9407036721 [1,0,0,0,0,0|2,0,0]=3 18 B12R0.234 CCCCCCCCCCN(C)C MCULE-5051937267 [1,0,0,0,0,0|3,0,0]=4 19 B12R0.234 CCCCCCCCCCS(=O)C MCULE-1607212944 [1,0,0,0,0,0|3,0,0]=4 20 B12R0.234 CCCCCCCCNCC(C)O MCULE-9293787711 [1,0,0,0,0,0|3,0,0]=4 21 B12R0.234 CCCCCCCCOCC(C)O MCULE-7262368590 [1,0,0,0,0,0|3,0,0]=4 22 B12R0.234 O=C(O)CCCCCCCCCO MCULE-3771681317 [1,0,0,0,0,0|2,0,1]=4 23 B12R0.234 O=N(=O)CCCCCCCCCO MCULE-4658294221 [1,0,0,0,0,0|3,0,0]=4 24 B14R0.88 CC(C)(C)CCCCCCCCCCS MCULE-7614280801 [0,1,0,0,0,0|2,1,0]=4 25 B14R0.88 CCCCCCCCCCCC(C)(C)S MCULE-9956928254 [0,1,0,0,0,0|3,0,0]=4 26 B14R0.88 CCCCCCCCCCNC(C)(C)C MCULE-3212441646 [0,1,0,0,0,0|3,0,0]=4 27 B14R0.88 CCCCCCCCCCNC(C)(C)C MCULE-7219499518 [0,1,0,0,0,0|3,0,0]=4 28 B14R1.4972 CC1(CCCCCCCCCCC1)O MCULE-6571841065 [0,0,0,1,0,0|3,0,0]=4 29 B11R0.148 C=C(C)CCCCCCCCC MCULE-1709497926 [2,0,0,0,0,0|1,0,1]=4 30 B11R0.148 CC(C)CCCCCCCCO MCULE-9926933955 [2,0,0,0,0,0|1,0,0]=3 31 B11R0.148 CC(O)CCCCCCCCO MCULE-6820244164 [2,0,0,0,0,0|1,0,0]=3 32 B11R0.148 CCCCCCCCCC(=O)C MCULE-6858373499 [2,0,0,0,0,0|1,0,1]=4 33 B11R0.148 CCCCCCCCCC(C)C MCULE-1079534714 [2,0,0,0,0,0|1,0,0]=3 34 B11R0.148 CCCCCCCCCC(C)N MCULE-8277808063 [2,0,0,0,0,0|1,0,0]=3 35 B11R0.148 CCCCCCCCCC(C)O MCULE-8628471202 [2,0,0,0,0,0|1,0,0]=3 36 B11R0.148 CCCCCCCCCC(S)S MCULE-7049062381 [2,0,0,0,0,0|2,0,0]=4 37 B11R0.148 CN(C)CCCCCCCCO MCULE-5273481320 [2,0,0,0,0,0|2,0,0]=4 38 B11R0.159 CCCCCCCCC(C)(C)C MCULE-9346167511 [2,0,0,0,0,0|2,0,0]=4 39 B11R0.3 BrCCCCCCCCCCBr MCULE-6596890795 [2,0,0,0,0,0|2,0,0]=4 40 B11R0.3 C#CCCCCCCCCCC MCULE-8413126831 [2,0,0,0,0,0|1,0,1]=4 41 B11R0.3 C#CCCCCCCCCCO MCULE-5387959646 [2,0,0,0,0,0|0,0,2]=4 42 B11R0.3 C=CCCCCCCCCCC MCULE-4843306057 [2,0,0,0,0,0|1,0,1]=4 43 B11R0.3 C=CCCCCCCCCCO MCULE-8086496729 [2,0,0,0,0,0|0,0,2]=4 44 B11R0.3 CC#CCCCCCCCCO MCULE-5846426924 [2,0,0,0,0,0|0,0,2]=4 45 B11R0.3 CCCCCCCCC=CCO MCULE-3768375215 [2,0,0,0,0,0|0,0,2]=4 46 B11R0.3 CCCCCCCCCCC#N MCULE-7957242645 [2,0,0,0,0,0|1,0,1]=4 47 B11R0.3 CCCCCCCCCCC=O MCULE-2842613213 [2,0,0,0,0,0|0,0,2]=4 48 B11R0.3 CCCCCCCCCCCBr MCULE-1007413186 [2,0,0,0,0,0|1,0,0]=3 49 B11R0.3 CCCCCCCCCCCC MCULE-3947157412 [2,0,0,0,0,0|1,0,0]=3 50 B11R0.3 CCCCCCCCCCCCl MCULE-9378407763 [2,0,0,0,0,0|1,0,0]=3 51 B11R0.3 CCCCCCCCCCCI MCULE-2947342202 [2,0,0,0,0,0|1,0,0]=3 52 B11R0.3 CCCCCCCCCCCN MCULE-7249870518 [2,0,0,0,0,0|1,0,0]=3 53 B11R0.3 CCCCCCCCCCCO MCULE-9897986150 [2,0,0,0,0,0|0,0,0]=2 54 B11R0.3 CCCCCCCCCCCS MCULE-6868324316 [2,0,0,0,0,0|0,1,0]=3 55 B11R0.3 CCCCCCCCCCNC MCULE-1416369118 [2,0,0,0,0,0|2,0,0]=4 56 B11R0.3 CCCCCCCCCCNC MCULE-6168905746 [2,0,0,0,0,0|2,0,0]=4 57 B11R0.3 CCCCCCCCCCOC MCULE-1264379510 [2,0,0,0,0,0|2,0,0]=4 58 B11R0.3 CCCCCCCCCCON MCULE-2069797576 [2,0,0,0,0,0|2,0,0]=4 59 B11R0.3 CCCCCCCCCCON MCULE-7830749583 [2,0,0,0,0,0|2,0,0]=4 60 B11R0.3 CCCCCCCCCCSC MCULE-7334657081 [2,0,0,0,0,0|2,0,0]=4 61 B11R0.3 CCCCCCCCCNCC MCULE-2932168769 [2,0,0,0,0,0|2,0,0]=4 62 B11R0.3 CCCCCCCCCSCC MCULE-6635551100 [2,0,0,0,0,0|2,0,0]=4 63 B11R0.3 CCCCCCCCNCCC MCULE-8531662839 [2,0,0,0,0,0|2,0,0]=4 64 B11R0.3 CCCCCCCCNCCN MCULE-7559905889 [2,0,0,0,0,0|2,0,0]=4 65 B11R0.3 CCCCCCCCNCCO MCULE-7874582103 [2,0,0,0,0,0|1,0,0]=3 66 B11R0.3 CCCCCCCCOCCCl MCULE-7562352297 [2,0,0,0,0,0|2,0,0]=4 67 B11R0.3 CCCCCCCCOCCN MCULE-8451506183 [2,0,0,0,0,0|2,0,0]=4 68 B11R0.3 CCCCCCCCOCCN MCULE-9814984146 [2,0,0,0,0,0|2,0,0]=4 69 B11R0.3 CCCCCCCCOCCO MCULE-9752110999 [2,0,0,0,0,0|1,0,0]=3 70 B11R0.3 CCCCCCCCSCCN MCULE-5010227243 [2,0,0,0,0,0|2,0,0]=4 71 B11R0.3 CCCCCCCCSCCO MCULE-6587527936 [2,0,0,0,0,0|1,0,0]=3 72 B11R0.3 CCCCCCCCSCCS MCULE-1947094413 [2,0,0,0,0,0|1,1,0]=4 73 B11R0.3 CCCCCCCNCCCC MCULE-4951242533 [2,0,0,0,0,0|2,0,0]=4 74 B11R0.3 CCCCCCCNCCCN MCULE-8536785750 [2,0,0,0,0,0|2,0,0]=4 75 B11R0.3 CCCCCCCNCCCO MCULE-1187615586 [2,0,0,0,0,0|1,0,0]=3 76 B11R0.3 CCCCCC[NH2+]CCCCCl MCULE-2636909425 [2,0,0,0,0,0|2,0,0]=4 77 B11R0.3 CCCCCC[NH2+]CCCCCl MCULE-7512641705 [2,0,0,0,0,0|2,0,0]=4 78 B11R0.3 CCCCCSCCOCCO MCULE-1471152415 [2,0,0,0,0,0|2,0,0]=4 79 B11R0.3 CCOCCCCCCCCO MCULE-8839640265 [2,0,0,0,0,0|1,0,0]=3 80 B11R0.3 COCCCCCCCCCBr MCULE-8740247574 [2,0,0,0,0,0|2,0,0]=4 81 B11R0.3 COCCCCCCCCCN MCULE-5428647902 [2,0,0,0,0,0|2,0,0]=4 82 B11R0.3 COCCCCCCCCCO MCULE-5483027656 [2,0,0,0,0,0|1,0,0]=3 83 B11R0.3 ClCCCCCCCCCCCl MCULE-1936281020 [2,0,0,0,0,0|2,0,0]=4 84 B11R0.3 FCCCCCCCCCCBr MCULE-2498226293 [2,0,0,0,0,0|2,0,0]=4 85 B11R0.3 FCCCCCCCCCCCl MCULE-6086093448 [2,0,0,0,0,0|2,0,0]=4 86 B11R0.3 FCCCCCCCCCCF MCULE-7992467849 [2,0,0,0,0,0|2,0,0]=4 87 B11R0.3 ICCCCCCCCCCI MCULE-9838407052 [2,0,0,0,0,0|2,0,0]=4 88 B11R0.3 NCCCCCCCCCCBr MCULE-2910198089 [2,0,0,0,0,0|2,0,0]=4 89 B11R0.3 NCCCCCCCCCCBr MCULE-9466370190 [2,0,0,0,0,0|2,0,0]=4 90 B11R0.3 NCCCCCCCCCCN MCULE-8635244158 [2,0,0,0,0,0|2,0,0]=4 91 B11R0.3 NCCCCCCCCCCO MCULE-6627355175 [2,0,0,0,0,0|1,0,0]=3 92 B11R0.3 NCCCCCCOCCCO MCULE-2806447363 [2,0,0,0,0,0|2,0,0]=4 93 B11R0.3 OCCCCCCCCCCBr MCULE-9238949531 [2,0,0,0,0,0|1,0,0]=3 94 B11R0.3 OCCCCCCCCCCCl MCULE-7857761317 [2,0,0,0,0,0|1,0,0]=3 95 B11R0.3 OCCCCCCCCCCF MCULE-6916719760 [2,0,0,0,0,0|1,0,0]=3 96 B11R0.3 OCCCCCCCCCCO MCULE-3187467810 [2,0,0,0,0,0|1,0,0]=3 97 B11R0.3 SCCCCCCCCCCS MCULE-7368208629 [2,0,0,0,0,0|1,1,0]=4 98 B11R0.3 [NH2+](CCCC)CCCCCCC MCULE-5696674484 [2,0,0,0,0,0|2,0,0]=4 99 B13R0.1215 C#CC(C)(O)CCCCCCCCC MCULE-6195266277 [1,1,0,0,0,0|2,0,0]=4 100 B13R0.54 CC(C)CCCCCCCCCCO MCULE-3770739954 [1,1,0,0,0,0|1,0,0]=3 101 B13R0.54 CCCCCCCCCCCC(C)N MCULE-3980418920 [1,1,0,0,0,0|2,0,0]=4 102 B13R0.54 CCCCCCCCCCCC(C)O MCULE-3181779723 [1,1,0,0,0,0|2,0,0]=4 103 B13R0.147 CCCCCCCCCCC(Br)CBr MCULE-9794028276 [1,1,0,0,0,0|2,0,0]=4 104 B13R0.147 CCCCCCCCCCC(C)C=O MCULE-1597303567 [1,1,0,0,0,0|2,0,0]=4 105 B13R0.147 CCCCCCCCCCC(C)CO MCULE-5502474074 [1,1,0,0,0,0|2,0,0]=4 106 B13R0.147 CCCCCCCCCCC(Cl)CCl MCULE-2606330649 [1,1,0,0,0,0|2,0,0]=4 107 B13R0.147 CCCCCCCCCCC(O)CN MCULE-5193471557 [1,1,0,0,0,0|2,0,0]=4 108 B13R0.147 CCCCCCCCCCC(O)CO MCULE-2615675340 [1,1,0,0,0,0|2,0,0]=4 109 B13R0.147 CCCCCCCCCCC([NH3+])CO MCULE-5249425084 [1,1,0,0,0,0|2,0,0]=4 110 B13R0.147 CCCCCCCCCCC([NH3+])CO MCULE-6389413958 [1,1,0,0,0,0|2,0,0]=4 111 B13R0.147 CCCCCCCCCC[C@@H](O)CO MCULE-6042369532 [1,1,0,0,0,0|2,0,0]=4 112 B13R0.147 CCCCCCCCCC[C@H](O)CO MCULE-1604714068 [1,1,0,0,0,0|2,0,0]=4 113 B13R0.147 COC(=O)CCCCCCCCCO MCULE-2254055588 [1,1,0,0,0,0|1,0,1]=4 114 B13R0.179 CC(C)CCCCCCCCC(=O)O MCULE-3966843726 [1,1,0,0,0,0|1,0,1]=4 115 B13R0.179 CC(N)CCCCCCCCC(=O)O MCULE-2236874517 [1,1,0,0,0,0|1,0,1]=4 116 B13R1.279 NC1CCCCCCCCCCC1 MCULE-2290888255 [1,0,0,1,0,0|2,0,0]=4 117 B13R1.279 NC1CCCCCCCCCCC1 MCULE-4286699290 [1,0,0,1,0,0|2,0,0]=4 118 B13R1.279 OC1CCCCCCCCCCC1 MCULE-4246723921 [1,0,0,1,0,0|2,0,0]=4 119 B13R1.279 SC1CCCCCCCCCCC1 MCULE-1071128546 [1,0,0,1,0,0|2,0,0]=4 120 B13R1.659 BrCCCCCCCCCC1CC1 MCULE-7543642317 [1,0,0,1,0,0|2,0,0]=4 121 B13R1.659 CCCCCCCCCCC1CO1 MCULE-4819613479 [1,0,0,1,0,0|2,0,0]=4 122 B13R1.659 CCCCCCCCCC[C@@H]1CO1 MCULE-4884564986 [1,0,0,1,0,0|2,0,0]=4 123 B10R0.4 CC(C)CCCCCCCO MCULE-6712139024 [3,0,0,0,0,0|1,0,0]=4 124 B10R0.4 CCCCCCCCC(C)C MCULE-3505579656 [3,0,0,0,0,0|1,0,0]=4 125 B10R0.4 CCCCCCCCC(C)O MCULE-3577613701 [3,0,0,0,0,0|1,0,0]=4 126 B10R0.4 CCCCCCCC[C@@H](C)Br MCULE-8624556030 [3,0,0,0,0,0|1,0,0]=4 127 B10R0.4 CCCCCCCC[C@@H](C)O MCULE-6511994487 [3,0,0,0,0,0|1,0,0]=4 128 B10R0.4 CCCCCCCC[C@H](C)O MCULE-7200709868 [3,0,0,0,0,0|1,0,0]=4 129 B10R0.4 [C@H](C)(O)CCCCCCCC MCULE-7849954701 [3,0,0,0,0,0|1,0,0]=4 130 B10R0.71 CCCCCCCCCCBr MCULE-1805531766 [3,0,0,0,0,0|1,0,0]=4 131 B10R0.71 CCCCCCCCCCC MCULE-7319807036 [3,0,0,0,0,0|0,0,0]=3 132 B10R0.71 CCCCCCCCCCCl MCULE-7602190189 [3,0,0,0,0,0|1,0,0]=4 133 B10R0.71 CCCCCCCCCCF MCULE-6490238051 [3,0,0,0,0,0|1,0,0]=4 134 B10R0.71 CCCCCCCCCCI MCULE-6718970716 [3,0,0,0,0,0|1,0,0]=4 135 B10R0.71 CCCCCCCCCCN MCULE-3389198970 [3,0,0,0,0,0|1,0,0]=4 136 B10R0.71 CCCCCCCCCCO MCULE-7579570663 [3,0,0,0,0,0|0,0,0]=3 137 B10R0.71 CCCCCCCCCCS MCULE-5945458624 [3,0,0,0,0,0|0,1,0]=4 138 B10R0.71 CCCCCCCCCNC MCULE-3969866054 [3,0,0,0,0,0|1,0,0]=4 139 B10R0.71 CCCCCCCCCNC MCULE-6631883657 [3,0,0,0,0,0|1,0,0]=4 140 B10R0.71 CCCCCCCCCOC MCULE-3906263885 [3,0,0,0,0,0|1,0,0]=4 141 B10R0.71 CCCCCCCCCSC MCULE-9001057781 [3,0,0,0,0,0|1,0,0]=4 142 B10R0.71 CCCCCCCCOCC MCULE-7803614357 [3,0,0,0,0,0|1,0,0]=4 143 B10R0.71 CCCCCCCOCCO MCULE-4391734532 [3,0,0,0,0,0|1,0,0]=4 144 B10R0.71 CCCCCCCSCCO MCULE-5713036847 [3,0,0,0,0,0|1,0,0]=4 145 B10R0.71 CCCCCCNCCCC MCULE-1698769182 [3,0,0,0,0,0|1,0,0]=4 146 B10R0.71 CCCCCNCCCCC MCULE-6460289904 [3,0,0,0,0,0|1,0,0]=4 147 B10R0.71 CCCCCNCCCCC MCULE-7466612345 [3,0,0,0,0,0|1,0,0]=4 148 B10R0.71 CCCCCOCCCCC MCULE-2510849143 [3,0,0,0,0,0|1,0,0]=4 149 B10R0.71 CCCCCSCCCCC MCULE-3839664161 [3,0,0,0,0,0|1,0,0]=4 150 B10R0.71 COCCCCCCCCO MCULE-1529283698 [3,0,0,0,0,0|1,0,0]=4 151 B10R0.71 NCCCCCCCCCO MCULE-2359018291 [3,0,0,0,0,0|1,0,0]=4 152 B10R0.71 OCCCCCCCCCBr MCULE-7708976482 [3,0,0,0,0,0|1,0,0]=4 153 B10R0.71 OCCCCCCCCCCl MCULE-4637398536 [3,0,0,0,0,0|1,0,0]=4 154 B10R0.71 OCCCCCCCCCI MCULE-6281256155 [3,0,0,0,0,0|1,0,0]=4 155 B10R0.71 OCCCCCCCCCO MCULE-3258442969 [3,0,0,0,0,0|1,0,0]=4 156 B10R0.71 OCCCCCCCCCS MCULE-3447886598 [3,0,0,0,0,0|1,0,0]=4 157 B10R0.71 [NH2+](CCCC)CCCCCC MCULE-8926764515 [3,0,0,0,0,0|1,0,0]=4 158 B12R0.4 CCCCCCCC(O)CC(C)C MCULE-5733681054 [2,1,0,0,0,0|1,0,0]=4 159 B12R0.233 CC(C)CCCC(C)CCCCO MCULE-2297914249 [2,1,0,0,0,0|1,0,0]=4 160 B12R0.248 CCCCCCCCCC(C)C=O MCULE-7485962352 [2,1,0,0,0,0|1,0,0]=4 161 B12R0.248 CCCCCCCCCC(O)CC MCULE-8088841540 [2,1,0,0,0,0|1,0,0]=4 162 B12R0.248 CCCCCCCCCC(O)CO MCULE-3958170897 [2,1,0,0,0,0|1,0,0]=4 163 B12R0.248 CCCCCCCCCC([NH3+])CO MCULE-4329139225 [2,1,0,0,0,0|1,0,0]=4 164 B12R0.248 CCCCCCCCCC([NH3+])CO MCULE-6424120612 [2,1,0,0,0,0|1,0,0]=4 165 B12R0.248 OCCCCCCCCC(O)CO MCULE-5399962147 [2,1,0,0,0,0|1,0,0]=4 166 B12R0.1 CCCCCCCCC(C)CCC MCULE-8337776414 [2,1,0,0,0,0|1,0,0]=4 167 B12R0.1 CCCCCCCCC(O)CCC MCULE-4193341089 [2,1,0,0,0,0|1,0,0]=4 168 B12R0.1 CCCCCCCCS(=O)CCO MCULE-7963242650 [2,1,0,0,0,0|1,0,0]=4 169 B12R0.5 BrCCCCCCCCCCCBr MCULE-7714737833 [2,1,0,0,0,0|1,0,0]=4 170 B12R0.5 C#CCCCCCCCCCCC MCULE-4966581415 [2,1,0,0,0,0|1,0,0]=4 171 B12R0.5 C#CCCCCCCCCCCO MCULE-3338769733 [2,1,0,0,0,0|0,0,1]=4 172 B12R0.5 C=CCCCCCCCCCCC MCULE-7790972998 [2,1,0,0,0,0|1,0,0]=4 173 B12R0.5 C=CCCCCCCCCCCO MCULE-9436785815 [2,1,0,0,0,0|0,0,1]=4 174 B12R0.5 CC/C=C\CCCCCCCCO MCULE-3025560116 [2,1,0,0,0,0|0,0,1]=4 175 B12R0.5 CCC#CCCCCCCCCO MCULE-9432389600 [2,1,0,0,0,0|0,0,1]=4 176 B12R0.5 CCC/C=C\CCCCCCCO MCULE-1596799446 [2,1,0,0,0,0|0,0,1]=4 177 B12R0.5 CCC=CCCCCCCCCO MCULE-1639369196 [2,1,0,0,0,0|0,0,1]=4 178 B12R0.5 CCCC/C=C/CCCCCCO MCULE-1140179766 [2,1,0,0,0,0|0,0,1]=4 179 B12R0.5 CCCC/C=C\CCCCCCO MCULE-5650770931 [2,1,0,0,0,0|0,0,1]=4 180 B12R0.5 CCCC=CCCCCCCCO MCULE-6437929263 [2,1,0,0,0,0|0,0,1]=4 181 B12R0.5 CCCCC#CCCCCCCO MCULE-8221472970 [2,1,0,0,0,0|0,0,1]=4 182 B12R0.5 CCCCC=CCCCCCCO MCULE-6634191602 [2,1,0,0,0,0|0,0,1]=4 183 B12R0.5 CCCCCCCCC/C=C/CO MCULE-8437286382 [2,1,0,0,0,0|0,0,1]=4 184 B12R0.5 CCCCCCCCC=CCCO MCULE-1965044026 [2,1,0,0,0,0|0,0,1]=4 185 B12R0.5 CCCCCCCCCC#CCO MCULE-3667812839 [2,1,0,0,0,0|0,0,1]=4 186 B12R0.5 CCCCCCCCCC=CCO MCULE-9263380318 [2,1,0,0,0,0|0,0,1]=4 187 B12R0.5 CCCCCCCCCCCC#N MCULE-4898299264 [2,1,0,0,0,0|1,0,0]=4 188 B12R0.5 CCCCCCCCCCCC=O MCULE-3814557174 [2,1,0,0,0,0|0,0,1]=4 189 B12R0.5 CCCCCCCCCCCCBr MCULE-2442495006 [2,1,0,0,0,0|1,0,0]=4 190 B12R0.5 CCCCCCCCCCCCC MCULE-7749861366 [2,1,0,0,0,0|1,0,0]=4 191 B12R0.5 CCCCCCCCCCCCCl MCULE-6025385532 [2,1,0,0,0,0|1,0,0]=4 192 B12R0.5 CCCCCCCCCCCCF MCULE-3563531940 [2,1,0,0,0,0|1,0,0]=4 193 B12R0.5 CCCCCCCCCCCCI MCULE-6449418786 [2,1,0,0,0,0|1,0,0]=4 194 B12R0.5 CCCCCCCCCCCCN MCULE-1282419209 [2,1,0,0,0,0|1,0,0]=4 195 B12R0.5 CCCCCCCCCCCCN MCULE-1312431857 [2,1,0,0,0,0|1,0,0]=4 196 B12R0.5 CCCCCCCCCCCCN MCULE-3936839656 [2,1,0,0,0,0|1,0,0]=4 197 B12R0.5 CCCCCCCCCCCCN MCULE-8497998841 [2,1,0,0,0,0|1,0,0]=4 198 B12R0.5 CCCCCCCCCCCCN MCULE-9101484482 [2,1,0,0,0,0|1,0,0]=4 199 B12R0.5 CCCCCCCCCCCCO MCULE-3423087499 [2,1,0,0,0,0|0,0,0]=3 200 B12R0.5 CCCCCCCCCCCCO MCULE-9381688904 [2,1,0,0,0,0|0,0,0]=3 201 B12R0.5 CCCCCCCCCCCCS MCULE-8388213802 [2,1,0,0,0,0|0,1,0]=4 202 B12R0.5 CCCCCCCCCCCNC MCULE-4232799137 [2,1,0,0,0,0|1,0,0]=4 203 B12R0.5 CCCCCCCCCCCNC MCULE-9324463288 [2,1,0,0,0,0|1,0,0]=4 204 B12R0.5 CCCCCCCCCCSCC MCULE-4046728399 [2,1,0,0,0,0|1,0,0]=4 205 B12R0.5 CCCCCCCCCSCCO MCULE-1890346670 [2,1,0,0,0,0|0,0,0]=3 206 B12R0.5 CCCCCCCCNCCCC MCULE-6370859761 [2,1,0,0,0,0|1,0,0]=4 207 B12R0.5 CCCCCCCCNCCCN MCULE-1576630780 [2,1,0,0,0,0|1,0,0]=4 208 B12R0.5 CCCCCCCCNCCOC MCULE-9794668613 [2,1,0,0,0,0|1,0,0]=4 209 B12R0.5 CCCCCCCCOCCCN MCULE-3428959730 [2,1,0,0,0,0|1,0,0]=4 210 B12R0.5 CCCCCCCOCCCCO MCULE-4232162406 [2,1,0,0,0,0|0,0,0]=3 211 B12R0.5 CCCCCCNCCCCCC MCULE-3670409724 [2,1,0,0,0,0|1,0,0]=4 212 B12R0.5 CCCCCCNCCCCCC MCULE-4867029659 [2,1,0,0,0,0|1,0,0]=4 213 B12R0.5 CCCCCCNCCCCCC MCULE-9932038203 [2,1,0,0,0,0|1,0,0]=4 214 B12R0.5 CCCCCCOCCCCCC MCULE-3976538682 [2,1,0,0,0,0|1,0,0]=4 215 B12R0.5 CCCCCCOCCOCCO MCULE-8195636539 [2,1,0,0,0,0|1,0,0]=4 216 B12R0.5 CCCCCCSCCCCCC MCULE-2928486782 [2,1,0,0,0,0|1,0,0]=4 217 B12R0.5 CCCCCCSCCOCCO MCULE-3415483366 [2,1,0,0,0,0|1,0,0]=4 218 B12R0.5 CCCOCCCCCCCCO MCULE-6159515912 [2,1,0,0,0,0|0,0,0]=3 219 B12R0.5 CCOCCCCCCCCCBr MCULE-4453801533 [2,1,0,0,0,0|1,0,0]=4 220 B12R0.5 CCOCCCCCCCCCO MCULE-6343777651 [2,1,0,0,0,0|0,0,0]=3 221 B12R0.5 ICCCCCCCCCCCI MCULE-1394798562 [2,1,0,0,0,0|1,0,0]=4 222 B12R0.5 NCCCCCCCCCCCN MCULE-2996124008 [2,1,0,0,0,0|1,0,0]=4 223 B12R0.5 NCCCCCCCCCCCO MCULE-5135515993 [2,1,0,0,0,0|0,0,0]=3 224 B12R0.5 NCCCCCCCCCCCS MCULE-2278372977 [2,1,0,0,0,0|0,1,0]=4 225 B12R0.5 NCCCCCCCCCCCS MCULE-7023358275 [2,1,0,0,0,0|0,1,0]=4 226 B12R0.5 OCCCCCCCCCCCBr MCULE-5881088914 [2,1,0,0,0,0|0,0,0]=3 227 B12R0.5 OCCCCCCCCCCCO MCULE-6987509130 [2,1,0,0,0,0|0,0,0]=3 228 B12R0.5 OCCCCCCCCCCCS MCULE-4791107478 [2,1,0,0,0,0|0,0,0]=3 229 B12R0.5 OCCCCCOCCCCCO MCULE-5243842214 [2,1,0,0,0,0|1,0,0]=4 230 B12R0.5 OCCCCCSCCCCCO MCULE-3316565485 [2,1,0,0,0,0|1,0,0]=4 231 B12R0.5 SCCCCCCCCCCCBr MCULE-7291453493 [2,1,0,0,0,0|0,1,0]=4 232 B12R0.5 [NH2+](CCCC)CCCCCCCC MCULE-9696707679 [2,1,0,0,0,0|1,0,0]=4 233 B12R0.47 CCCCCCC(O)CCCCC MCULE-9826172328 [2,1,0,0,0,0|1,0,0]=4 234 B12R0.206 CCCCCCCC(O)CCCC MCULE-7645297712 [2,1,0,0,0,0|1,0,0]=4 235 B14R0.68 CC(C)CCCCCCCCCC(=O)O MCULE-8259958688 [1,2,0,0,0,0|1,0,0]=4 236 B14R0.68 CC(O)CCCCCCCCCC(=O)O MCULE-5368688925 [1,2,0,0,0,0|1,0,0]=4 237 B12R1.125 CC(C)CCC1CCCCC1O MCULE-6442392278 [2,0,0,1,0,0|1,0,0]=4 238 B12R1.375 CCCCCCCCC[C@@H]1CO1 MCULE-1904651720 [2,0,0,1,0,0|1,0,0]=4 239 B12R1.8 CCCCCCC1CCCCC1 MCULE-5596413302 [2,0,0,1,0,0|1,0,0]=4 240 B12R1.8 CCCCCCC1CCCCN1 MCULE-4953489742 [2,0,0,1,0,0|1,0,0]=4 241 B12R1.8 CCCCCCC1CCCCN1 MCULE-7758843685 [2,0,0,1,0,0|1,0,0]=4 242 B12R1.8 OCCCCCN1CCCCC1 MCULE-3016698326 [2,0,0,1,0,0|1,0,0]=4 243 B12R1.8 OCCCCNC1CCCCC1 MCULE-2543962577 [2,0,0,1,0,0|1,0,0]=4 244 B12R1.8 OCCCNCC1CCCCC1 MCULE-2206880526 [2,0,0,1,0,0|1,0,0]=4 245 B12R1.8 OCCCOCC1CCCCC1 MCULE-5047368988 [2,0,0,1,0,0|1,0,0]=4 246 B12R1.37 CCCCCCCC1OCCO1 MCULE-9440265689 [2,0,0,1,0,0|1,0,0]=4 247 B12R1.121 CCC1CCCCC1OCCO MCULE-2333871269 [2,0,0,1,0,0|1,0,0]=4 248 B12R1.550 C1CCCCCCCCCCC1 MCULE-7420288531 [2,0,0,1,0,0|1,0,0]=4 249 B12R1.1414 OCCCCN1CCCCCC1 MCULE-6965728729 [2,0,0,1,0,0|1,0,0]=4 250 B12R1.1414 OCCCOC1CCCCCC1 MCULE-9402583694 [2,0,0,1,0,0|1,0,0]=4