0 B11R0.3 BrCCCCCCCCCCBr MCULE-6596890795 [0,0,0,0,0,0|2,0,1]=3 1 B11R0.3 C#CCCCCCCCCCBr MCULE-7590250790 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.3 C#CCCCCCCCCCC MCULE-8413126831 [0,0,0,0,0,0|1,0,2]=3 3 B11R0.3 C#CCCCCCCCCCO MCULE-5387959646 [0,0,0,0,0,0|0,0,2]=2 4 B11R0.3 C#CCOCCCCCCCBr MCULE-9946717443 [0,0,0,0,0,0|2,0,2]=4 5 B11R0.3 C=CCCCC=CCNCCC MCULE-7102803637 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.3 C=CCCCCCCCCC=C MCULE-6018522624 [0,0,0,0,0,0|1,0,1]=2 7 B11R0.3 C=CCCCCCCCCC=O MCULE-2748563286 [0,0,0,0,0,0|0,0,2]=2 8 B11R0.3 C=CCCCCCCCCCBr MCULE-3292244728 [0,0,0,0,0,0|1,0,0]=1 9 B11R0.3 C=CCCCCCCCCCC MCULE-4843306057 [0,0,0,0,0,0|1,0,0]=1 10 B11R0.3 C=CCCCCCCCCCCl MCULE-9014492464 [0,0,0,0,0,0|1,0,0]=1 11 B11R0.3 C=CCCCCCCCCCN MCULE-7839357621 [0,0,0,0,0,0|1,0,0]=1 12 B11R0.3 C=CCCCCCCCCCO MCULE-8086496729 [0,0,0,0,0,0|0,0,0]=0 13 B11R0.3 C=CCOCCCCCCCC MCULE-6446691340 [0,0,0,0,0,0|2,0,0]=2 14 B11R0.3 CC#CCCCCCCCCO MCULE-5846426924 [0,0,0,0,0,0|0,0,3]=3 15 B11R0.3 CCCCCCC=CCCC=O MCULE-4819548256 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.3 CCCCCCCCC=CC=O MCULE-3569381965 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.3 CCCCCCCCC=CCO MCULE-3768375215 [0,0,0,0,0,0|0,0,4]=4 18 B11R0.3 CCCCCCCCCCC#N MCULE-7957242645 [0,0,0,0,0,0|2,0,1]=3 19 B11R0.3 CCCCCCCCCCC=O MCULE-2842613213 [0,0,0,0,0,0|2,0,0]=2 20 B11R0.3 CCCCCCCCCCCBr MCULE-1007413186 [0,0,0,0,0,0|1,0,2]=3 21 B11R0.3 CCCCCCCCCCCC MCULE-3947157412 [0,0,0,0,0,0|1,0,2]=3 22 B11R0.3 CCCCCCCCCCCCl MCULE-9378407763 [0,0,0,0,0,0|1,0,2]=3 23 B11R0.3 CCCCCCCCCCCI MCULE-2947342202 [0,0,0,0,0,0|1,0,2]=3 24 B11R0.3 CCCCCCCCCCCN MCULE-7249870518 [0,0,0,0,0,0|1,0,2]=3 25 B11R0.3 CCCCCCCCCCCO MCULE-9897986150 [0,0,0,0,0,0|0,0,2]=2 26 B11R0.3 CCCCCCCCCCCS MCULE-6868324316 [0,0,0,0,0,0|0,1,2]=3 27 B11R0.3 CCCCCCCCCCNC MCULE-1416369118 [0,0,0,0,0,0|2,0,1]=3 28 B11R0.3 CCCCCCCCCCNC MCULE-6168905746 [0,0,0,0,0,0|2,0,1]=3 29 B11R0.3 CCCCCCCCCCOC MCULE-1264379510 [0,0,0,0,0,0|2,0,1]=3 30 B11R0.3 CCCCCCCCCCON MCULE-2069797576 [0,0,0,0,0,0|3,0,0]=3 31 B11R0.3 CCCCCCCCCCON MCULE-7830749583 [0,0,0,0,0,0|3,0,0]=3 32 B11R0.3 CCCCCCCCCCSC MCULE-7334657081 [0,0,0,0,0,0|2,0,1]=3 33 B11R0.3 CCCCCCCCCN=C=S MCULE-1076001046 [0,0,0,0,0,0|3,0,1]=4 34 B11R0.3 CCCCCCCCCN=N#N MCULE-3134047425 [0,0,0,0,0,0|4,0,0]=4 35 B11R0.3 CCCCCCCCCNCC MCULE-2932168769 [0,0,0,0,0,0|2,0,2]=4 36 B11R0.3 CCCCCCCCCOC=O MCULE-1616501735 [0,0,0,0,0,0|3,0,0]=3 37 B11R0.3 CCCCCCCCCSCC MCULE-6635551100 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.3 CCCCCCCCNCCC MCULE-8531662839 [0,0,0,0,0,0|2,0,2]=4 39 B11R0.3 CCCCCCCCNCCN MCULE-7559905889 [0,0,0,0,0,0|2,0,2]=4 40 B11R0.3 CCCCCCCCNCCO MCULE-7874582103 [0,0,0,0,0,0|1,0,2]=3 41 B11R0.3 CCCCCCCCOCCCl MCULE-7562352297 [0,0,0,0,0,0|2,0,2]=4 42 B11R0.3 CCCCCCCCOCCN MCULE-8451506183 [0,0,0,0,0,0|2,0,2]=4 43 B11R0.3 CCCCCCCCOCCN MCULE-9814984146 [0,0,0,0,0,0|2,0,2]=4 44 B11R0.3 CCCCCCCCOCCO MCULE-9752110999 [0,0,0,0,0,0|1,0,2]=3 45 B11R0.3 CCCCCCCCSCC#N MCULE-7369043498 [0,0,0,0,0,0|3,0,1]=4 46 B11R0.3 CCCCCCCCSCCN MCULE-5010227243 [0,0,0,0,0,0|2,0,2]=4 47 B11R0.3 CCCCCCCCSCCO MCULE-6587527936 [0,0,0,0,0,0|1,0,2]=3 48 B11R0.3 CCCCCCCCSCCS MCULE-1947094413 [0,0,0,0,0,0|1,1,2]=4 49 B11R0.3 CCCCCCCNCCC#N MCULE-6001009722 [0,0,0,0,0,0|3,0,1]=4 50 B11R0.3 CCCCCCCNCCCC MCULE-4951242533 [0,0,0,0,0,0|2,0,2]=4 51 B11R0.3 CCCCCCCNCCCN MCULE-8536785750 [0,0,0,0,0,0|2,0,2]=4 52 B11R0.3 CCCCCCCNCCCO MCULE-1187615586 [0,0,0,0,0,0|1,0,2]=3 53 B11R0.3 CCCCCCNCCCOC MCULE-6742672078 [0,0,0,0,0,0|3,0,1]=4 54 B11R0.3 CCCCCC[NH2+]CCCCCl MCULE-2636909425 [0,0,0,0,0,0|2,0,2]=4 55 B11R0.3 CCCCCC[NH2+]CCCCCl MCULE-7512641705 [0,0,0,0,0,0|2,0,2]=4 56 B11R0.3 CCCCCSCCOCCO MCULE-1471152415 [0,0,0,0,0,0|2,0,2]=4 57 B11R0.3 CCOCCCCCCCCO MCULE-8839640265 [0,0,0,0,0,0|1,0,2]=3 58 B11R0.3 CNCCCCCCCCNC MCULE-2607021323 [0,0,0,0,0,0|3,0,1]=4 59 B11R0.3 COCCCCCCCCC=O MCULE-4530790122 [0,0,0,0,0,0|3,0,0]=3 60 B11R0.3 COCCCCCCCCCBr MCULE-8740247574 [0,0,0,0,0,0|2,0,1]=3 61 B11R0.3 COCCCCCCCCCN MCULE-5428647902 [0,0,0,0,0,0|2,0,1]=3 62 B11R0.3 COCCCCCCCCCO MCULE-5483027656 [0,0,0,0,0,0|1,0,1]=2 63 B11R0.3 COCCCCCCCCOC MCULE-6292448161 [0,0,0,0,0,0|3,0,1]=4 64 B11R0.3 COCCOCCOCCCO MCULE-5937827839 [0,0,0,0,0,0|3,0,1]=4 65 B11R0.3 ClCCCCCCCCCCCl MCULE-1936281020 [0,0,0,0,0,0|2,0,1]=3 66 B11R0.3 FCCCCCCCCCCBr MCULE-2498226293 [0,0,0,0,0,0|2,0,1]=3 67 B11R0.3 FCCCCCCCCCCCl MCULE-6086093448 [0,0,0,0,0,0|2,0,1]=3 68 B11R0.3 FCCCCCCCCCCF MCULE-7992467849 [0,0,0,0,0,0|2,0,1]=3 69 B11R0.3 ICCCCCCCCCCI MCULE-9838407052 [0,0,0,0,0,0|2,0,1]=3 70 B11R0.3 N#CCCCCCCCCC#N MCULE-6480099494 [0,0,0,0,0,0|2,0,2]=4 71 B11R0.3 N#N=NCCCCCCCCN MCULE-8754033148 [0,0,0,0,0,0|4,0,0]=4 72 B11R0.3 N#N=NCCCCCCCCO MCULE-2910168198 [0,0,0,0,0,0|3,0,0]=3 73 B11R0.3 NCCCCCCCCCCBr MCULE-2910198089 [0,0,0,0,0,0|2,0,1]=3 74 B11R0.3 NCCCCCCCCCCBr MCULE-9466370190 [0,0,0,0,0,0|2,0,1]=3 75 B11R0.3 NCCCCCCCCCCN MCULE-8635244158 [0,0,0,0,0,0|2,0,1]=3 76 B11R0.3 NCCCCCCCCCCO MCULE-6627355175 [0,0,0,0,0,0|1,0,1]=2 77 B11R0.3 NCCCCCCOCCCO MCULE-2806447363 [0,0,0,0,0,0|2,0,1]=3 78 B11R0.3 O=CCCCCCCCCCBr MCULE-3317881097 [0,0,0,0,0,0|2,0,0]=2 79 B11R0.3 OCCCCCCCCCCBr MCULE-9238949531 [0,0,0,0,0,0|1,0,1]=2 80 B11R0.3 OCCCCCCCCCCCl MCULE-7857761317 [0,0,0,0,0,0|1,0,1]=2 81 B11R0.3 OCCCCCCCCCCF MCULE-6916719760 [0,0,0,0,0,0|1,0,1]=2 82 B11R0.3 OCCCCCCCCCCO MCULE-3187467810 [0,0,0,0,0,0|1,0,1]=2 83 B11R0.3 OCCCCSSCCCCO MCULE-4532927366 [0,0,0,0,0,0|3,0,1]=4 84 B11R0.3 OCCCOCCOCCCO MCULE-9295826990 [0,0,0,0,0,0|3,0,1]=4 85 B11R0.3 OCCOCCCCOCCO MCULE-5488868368 [0,0,0,0,0,0|3,0,1]=4 86 B11R0.3 OCCSCCCCSCCO MCULE-7103137846 [0,0,0,0,0,0|3,0,1]=4 87 B11R0.3 SCCCCCCCCCCS MCULE-7368208629 [0,0,0,0,0,0|1,1,1]=3 88 B11R0.3 [NH2+](CCCC)CCCCCCC MCULE-5696674484 [0,0,0,0,0,0|2,0,2]=4 89 B10R0.71 BrCCCCCCCCCBr MCULE-3406292941 [1,0,0,0,0,0|2,0,0]=3 90 B10R0.71 C#CCCCCCCCCC MCULE-3352869074 [1,0,0,0,0,0|0,0,2]=3 91 B10R0.71 C#CCCCCCCCCO MCULE-1465013673 [1,0,0,0,0,0|0,0,2]=3 92 B10R0.71 C#CCOCCCCCCO MCULE-6480387579 [1,0,0,0,0,0|1,0,2]=4 93 B10R0.71 C(=CCCCCO)CCCC MCULE-5192933185 [1,0,0,0,0,0|0,0,3]=4 94 B10R0.71 C=CCCCCCCCC#N MCULE-1262733029 [1,0,0,0,0,0|1,0,1]=3 95 B10R0.71 C=CCCCCCCCC=C MCULE-5336376495 [1,0,0,0,0,0|0,0,2]=3 96 B10R0.71 C=CCCCCCCCC=O MCULE-2236196328 [1,0,0,0,0,0|0,0,2]=3 97 B10R0.71 C=CCCCCCCCCBr MCULE-9645873151 [1,0,0,0,0,0|1,0,0]=2 98 B10R0.71 C=CCCCCCCCCC MCULE-8437878932 [1,0,0,0,0,0|0,0,0]=1 99 B10R0.71 C=CCCCCCCCCI MCULE-5534023915 [1,0,0,0,0,0|1,0,0]=2 100 B10R0.71 C=CCCCCCCCCN MCULE-2867070960 [1,0,0,0,0,0|1,0,0]=2 101 B10R0.71 C=CCCCCCCCCN MCULE-6734552056 [1,0,0,0,0,0|1,0,0]=2 102 B10R0.71 C=CCCCCCCCCO MCULE-1808688008 [1,0,0,0,0,0|0,0,0]=1 103 B10R0.71 C=CCCCCSCCCC MCULE-9557499584 [1,0,0,0,0,0|1,0,0]=2 104 B10R0.71 C=CCOCCOCCOC MCULE-4173919087 [1,0,0,0,0,0|3,0,0]=4 105 B10R0.71 C=CCOCCSCCCC MCULE-5814639814 [1,0,0,0,0,0|2,0,0]=3 106 B10R0.71 C=COCCCCCCCC MCULE-9207967577 [1,0,0,0,0,0|1,0,0]=2 107 B10R0.71 CCCC/C=C/CCCCO MCULE-8537897542 [1,0,0,0,0,0|0,0,3]=4 108 B10R0.71 CCCC/C=C\CCCCO MCULE-8382129018 [1,0,0,0,0,0|0,0,3]=4 109 B10R0.71 CCCCC#CCCCCO MCULE-2516123124 [1,0,0,0,0,0|0,0,3]=4 110 B10R0.71 CCCCC/C=C/CCC=O MCULE-6310350913 [1,0,0,0,0,0|1,0,2]=4 111 B10R0.71 CCCCC/C=C\CCC=O MCULE-2454675705 [1,0,0,0,0,0|1,0,2]=4 112 B10R0.71 CCCCC/C=C\CCCO MCULE-5673742797 [1,0,0,0,0,0|0,0,3]=4 113 B10R0.71 CCCCCC=CCCC=O MCULE-4591548304 [1,0,0,0,0,0|1,0,2]=4 114 B10R0.71 CCCCCC=CCCCO MCULE-4774794120 [1,0,0,0,0,0|0,0,3]=4 115 B10R0.71 CCCCCCC#CCCO MCULE-5377358049 [1,0,0,0,0,0|0,0,3]=4 116 B10R0.71 CCCCCCC=CCCO MCULE-7637000822 [1,0,0,0,0,0|0,0,3]=4 117 B10R0.71 CCCCCCCC#CCO MCULE-4211819006 [1,0,0,0,0,0|0,0,3]=4 118 B10R0.71 CCCCCCCC=CC=O MCULE-8898697953 [1,0,0,0,0,0|1,0,2]=4 119 B10R0.71 CCCCCCCC=CCO MCULE-3462895858 [1,0,0,0,0,0|0,0,3]=4 120 B10R0.71 CCCCCCCCC#CBr MCULE-1192896759 [1,0,0,0,0,0|1,0,2]=4 121 B10R0.71 CCCCCCCCC#CO MCULE-7543737628 [1,0,0,0,0,0|0,0,3]=4 122 B10R0.71 CCCCCCCCCC#N MCULE-1090480870 [1,0,0,0,0,0|1,0,1]=3 123 B10R0.71 CCCCCCCCCC=O MCULE-1782320282 [1,0,0,0,0,0|1,0,0]=2 124 B10R0.71 CCCCCCCCCCBr MCULE-1805531766 [1,0,0,0,0,0|1,0,1]=3 125 B10R0.71 CCCCCCCCCCC MCULE-7319807036 [1,0,0,0,0,0|0,0,2]=3 126 B10R0.71 CCCCCCCCCCCl MCULE-7602190189 [1,0,0,0,0,0|1,0,1]=3 127 B10R0.71 CCCCCCCCCCF MCULE-6490238051 [1,0,0,0,0,0|1,0,1]=3 128 B10R0.71 CCCCCCCCCCI MCULE-6718970716 [1,0,0,0,0,0|1,0,1]=3 129 B10R0.71 CCCCCCCCCCN MCULE-3389198970 [1,0,0,0,0,0|1,0,1]=3 130 B10R0.71 CCCCCCCCCCO MCULE-7579570663 [1,0,0,0,0,0|0,0,1]=2 131 B10R0.71 CCCCCCCCCCS MCULE-5945458624 [1,0,0,0,0,0|0,1,1]=3 132 B10R0.71 CCCCCCCCCNC MCULE-3969866054 [1,0,0,0,0,0|1,0,1]=3 133 B10R0.71 CCCCCCCCCNC MCULE-6631883657 [1,0,0,0,0,0|1,0,1]=3 134 B10R0.71 CCCCCCCCCOC MCULE-3906263885 [1,0,0,0,0,0|1,0,1]=3 135 B10R0.71 CCCCCCCCCON MCULE-2563186433 [1,0,0,0,0,0|2,0,0]=3 136 B10R0.71 CCCCCCCCCSC MCULE-9001057781 [1,0,0,0,0,0|1,0,1]=3 137 B10R0.71 CCCCCCCCN=C=O MCULE-8555471006 [1,0,0,0,0,0|2,0,1]=4 138 B10R0.71 CCCCCCCCN=C=S MCULE-4775323786 [1,0,0,0,0,0|2,0,1]=4 139 B10R0.71 CCCCCCCCN=N#N MCULE-4737472724 [1,0,0,0,0,0|3,0,0]=4 140 B10R0.71 CCCCCCCCNC=O MCULE-5327203150 [1,0,0,0,0,0|2,0,0]=3 141 B10R0.71 CCCCCCCCOC=O MCULE-6865253802 [1,0,0,0,0,0|2,0,0]=3 142 B10R0.71 CCCCCCCCOCC MCULE-7803614357 [1,0,0,0,0,0|1,0,2]=4 143 B10R0.71 CCCCCCCCOCCl MCULE-8103995676 [1,0,0,0,0,0|2,0,1]=4 144 B10R0.71 CCCCCCCOCCCl MCULE-9608529645 [1,0,0,0,0,0|2,0,1]=4 145 B10R0.71 CCCCCCCOCCO MCULE-4391734532 [1,0,0,0,0,0|1,0,1]=3 146 B10R0.71 CCCCCCCOCCS MCULE-8215096371 [1,0,0,0,0,0|1,1,1]=4 147 B10R0.71 CCCCCCCSCCO MCULE-5713036847 [1,0,0,0,0,0|1,0,1]=3 148 B10R0.71 CCCCCCNCCC#N MCULE-2150602581 [1,0,0,0,0,0|2,0,1]=4 149 B10R0.71 CCCCCCNCCCC MCULE-1698769182 [1,0,0,0,0,0|1,0,2]=4 150 B10R0.71 CCCCCCNCCCCl MCULE-2065775862 [1,0,0,0,0,0|2,0,1]=4 151 B10R0.71 CCCCCCNCCCN MCULE-7482733368 [1,0,0,0,0,0|2,0,1]=4 152 B10R0.71 CCCCCC[NH2+]CCCCl MCULE-1476963531 [1,0,0,0,0,0|2,0,1]=4 153 B10R0.71 CCCCCNCCCCC MCULE-6460289904 [1,0,0,0,0,0|1,0,2]=4 154 B10R0.71 CCCCCNCCCCC MCULE-7466612345 [1,0,0,0,0,0|1,0,2]=4 155 B10R0.71 CCCCCNCCCOC MCULE-8182280213 [1,0,0,0,0,0|2,0,1]=4 156 B10R0.71 CCCCCOCCCCC MCULE-2510849143 [1,0,0,0,0,0|1,0,2]=4 157 B10R0.71 CCCCCSCCCCC MCULE-3839664161 [1,0,0,0,0,0|1,0,2]=4 158 B10R0.71 CCCCNCCOCCO MCULE-6722908845 [1,0,0,0,0,0|2,0,1]=4 159 B10R0.71 CCCCOCCOCCO MCULE-9776383171 [1,0,0,0,0,0|2,0,1]=4 160 B10R0.71 CCCCOCCSCCO MCULE-1950831912 [1,0,0,0,0,0|2,0,1]=4 161 B10R0.71 CCCCSCCOCCO MCULE-8485842279 [1,0,0,0,0,0|2,0,1]=4 162 B10R0.71 CCNCCCNCCCO MCULE-4185964299 [1,0,0,0,0,0|2,0,1]=4 163 B10R0.71 COCCCCCCCCO MCULE-1529283698 [1,0,0,0,0,0|1,0,1]=3 164 B10R0.71 ClCCCCCCCCCCl MCULE-3488427873 [1,0,0,0,0,0|2,0,0]=3 165 B10R0.71 ClCCCCOCCCCCl MCULE-4604276964 [1,0,0,0,0,0|3,0,0]=4 166 B10R0.71 N#N=NCCCCCCCO MCULE-2020987060 [1,0,0,0,0,0|3,0,0]=4 167 B10R0.71 NCCCCCCCCCN MCULE-8114252394 [1,0,0,0,0,0|2,0,0]=3 168 B10R0.71 NCCCCCCCCCO MCULE-2359018291 [1,0,0,0,0,0|1,0,0]=2 169 B10R0.71 NCCCCCNCCCN MCULE-2406277230 [1,0,0,0,0,0|3,0,0]=4 170 B10R0.71 NCCCCCNCCCN MCULE-9885228454 [1,0,0,0,0,0|3,0,0]=4 171 B10R0.71 NCCCCNCCCCN MCULE-2945581667 [1,0,0,0,0,0|3,0,0]=4 172 B10R0.71 NCCCCNCCCCN MCULE-6342087459 [1,0,0,0,0,0|3,0,0]=4 173 B10R0.71 NCCCOCCOCCO MCULE-7907321960 [1,0,0,0,0,0|3,0,0]=4 174 B10R0.71 O=CCCCCCCCCBr MCULE-7863300341 [1,0,0,0,0,0|2,0,0]=3 175 B10R0.71 OCCCCCCCCCBr MCULE-7708976482 [1,0,0,0,0,0|1,0,0]=2 176 B10R0.71 OCCCCCCCCCCl MCULE-4637398536 [1,0,0,0,0,0|1,0,0]=2 177 B10R0.71 OCCCCCCCCCI MCULE-6281256155 [1,0,0,0,0,0|1,0,0]=2 178 B10R0.71 OCCCCCCCCCO MCULE-3258442969 [1,0,0,0,0,0|1,0,0]=2 179 B10R0.71 OCCCCCCCCCS MCULE-3447886598 [1,0,0,0,0,0|1,0,0]=2 180 B10R0.71 OCCCCCCOCCO MCULE-5642986797 [1,0,0,0,0,0|2,0,0]=3 181 B10R0.71 OCCCCNCCCCO MCULE-8546417896 [1,0,0,0,0,0|2,0,0]=3 182 B10R0.71 OCCCCOCCCCO MCULE-7966192236 [1,0,0,0,0,0|2,0,0]=3 183 B10R0.71 OCCNCCCNCCO MCULE-4947483385 [1,0,0,0,0,0|3,0,0]=4 184 B10R0.71 OCCOCCCCCCCl MCULE-3240737723 [1,0,0,0,0,0|2,0,0]=3 185 B10R0.71 OCCOCCCOCCO MCULE-2542284034 [1,0,0,0,0,0|3,0,0]=4 186 B10R0.71 OCCSCCCSCCO MCULE-8436430150 [1,0,0,0,0,0|3,0,0]=4 187 B10R0.71 SCCCCCCCCCS MCULE-1712418590 [1,0,0,0,0,0|1,1,0]=3 188 B10R0.71 [NH2+](CCCC)CCCCCC MCULE-8926764515 [1,0,0,0,0,0|1,0,2]=4 189 B12R0.1 C=CCC(C)CCCCCCCC MCULE-8322698729 [0,1,0,0,0,0|1,0,0]=2 190 B12R0.1 C=CCCCCCCC(=O)OCC MCULE-2529046007 [0,1,0,0,0,0|2,0,1]=4 191 B12R0.1 CCCCCCCCC(C)CCC MCULE-8337776414 [0,1,0,0,0,0|1,0,2]=4 192 B12R0.1 CCCCCCCCC(O)CCC MCULE-4193341089 [0,1,0,0,0,0|1,0,2]=4 193 B12R0.1 CCCCCCCCS(=O)CCO MCULE-7963242650 [0,1,0,0,0,0|1,0,2]=4 194 B12R0.5 BrCCCCCCCCCCCBr MCULE-7714737833 [0,1,0,0,0,0|1,0,2]=4 195 B12R0.5 C#CCCCCCCCCCCC MCULE-4966581415 [0,1,0,0,0,0|1,0,2]=4 196 B12R0.5 C#CCCCCCCCCCCO MCULE-3338769733 [0,1,0,0,0,0|0,0,2]=3 197 B12R0.5 C#CCOCCCCCCCCO MCULE-9833842442 [0,1,0,0,0,0|0,0,2]=3 198 B12R0.5 C/C=C/C=C/CCCCCCCO MCULE-8128170987 [0,1,0,0,0,0|0,0,2]=3 199 B12R0.5 C=CCCCC=CCNCCCC MCULE-3142484929 [0,1,0,0,0,0|1,0,2]=4 200 B12R0.5 C=CCCCCCCCCCC#N MCULE-4908683971 [0,1,0,0,0,0|1,0,0]=2 201 B12R0.5 C=CCCCCCCCCCC=C MCULE-6862008178 [0,1,0,0,0,0|1,0,0]=2 202 B12R0.5 C=CCCCCCCCCCC=O MCULE-4798960934 [0,1,0,0,0,0|0,0,1]=2 203 B12R0.5 C=CCCCCCCCCCCBr MCULE-1450832602 [0,1,0,0,0,0|1,0,0]=2 204 B12R0.5 C=CCCCCCCCCCCC MCULE-7790972998 [0,1,0,0,0,0|1,0,0]=2 205 B12R0.5 C=CCCCCCCCCCCO MCULE-9436785815 [0,1,0,0,0,0|0,0,0]=1 206 B12R0.5 C=CCOCCCCCCCCO MCULE-5655873802 [0,1,0,0,0,0|0,0,0]=1 207 B12R0.5 C=COCCCCCCCCCC MCULE-9853638067 [0,1,0,0,0,0|1,0,0]=2 208 B12R0.5 C=CSCCCCCCCCCC MCULE-4125685210 [0,1,0,0,0,0|1,0,0]=2 209 B12R0.5 CC/C=C\CCCCCCCCO MCULE-3025560116 [0,1,0,0,0,0|0,0,2]=3 210 B12R0.5 CC=CC=CCCCCCCCO MCULE-5968711412 [0,1,0,0,0,0|0,0,2]=3 211 B12R0.5 CCC#CCCCCCCCCO MCULE-9432389600 [0,1,0,0,0,0|0,0,3]=4 212 B12R0.5 CCC/C=C\CCCCCCCO MCULE-1596799446 [0,1,0,0,0,0|0,0,3]=4 213 B12R0.5 CCC=CCCCCCCCCO MCULE-1639369196 [0,1,0,0,0,0|0,0,2]=3 214 B12R0.5 CCCC/C=C/CCCCCCO MCULE-1140179766 [0,1,0,0,0,0|0,0,3]=4 215 B12R0.5 CCCC/C=C\CCCCCCO MCULE-5650770931 [0,1,0,0,0,0|0,0,3]=4 216 B12R0.5 CCCC=CCCCCCCCO MCULE-6437929263 [0,1,0,0,0,0|0,0,3]=4 217 B12R0.5 CCCCC#CCCCCCCO MCULE-8221472970 [0,1,0,0,0,0|0,0,3]=4 218 B12R0.5 CCCCC=CCCCCCCO MCULE-6634191602 [0,1,0,0,0,0|0,0,3]=4 219 B12R0.5 CCCCCCCCC/C=C/C=O MCULE-3924650225 [0,1,0,0,0,0|1,0,1]=3 220 B12R0.5 CCCCCCCCC/C=C/CO MCULE-8437286382 [0,1,0,0,0,0|0,0,3]=4 221 B12R0.5 CCCCCCCCC=CCCO MCULE-1965044026 [0,1,0,0,0,0|0,0,3]=4 222 B12R0.5 CCCCCCCCCC#CCO MCULE-3667812839 [0,1,0,0,0,0|0,0,3]=4 223 B12R0.5 CCCCCCCCCC/C=C/I MCULE-7924200766 [0,1,0,0,0,0|1,0,0]=2 224 B12R0.5 CCCCCCCCCC=CC=O MCULE-6984246846 [0,1,0,0,0,0|1,0,1]=3 225 B12R0.5 CCCCCCCCCC=CCO MCULE-9263380318 [0,1,0,0,0,0|0,0,3]=4 226 B12R0.5 CCCCCCCCCCCC#N MCULE-4898299264 [0,1,0,0,0,0|1,0,2]=4 227 B12R0.5 CCCCCCCCCCCC=O MCULE-3814557174 [0,1,0,0,0,0|1,0,1]=3 228 B12R0.5 CCCCCCCCCCCCBr MCULE-2442495006 [0,1,0,0,0,0|1,0,2]=4 229 B12R0.5 CCCCCCCCCCCCC MCULE-7749861366 [0,1,0,0,0,0|1,0,2]=4 230 B12R0.5 CCCCCCCCCCCCCl MCULE-6025385532 [0,1,0,0,0,0|1,0,2]=4 231 B12R0.5 CCCCCCCCCCCCF MCULE-3563531940 [0,1,0,0,0,0|1,0,2]=4 232 B12R0.5 CCCCCCCCCCCCI MCULE-6449418786 [0,1,0,0,0,0|1,0,2]=4 233 B12R0.5 CCCCCCCCCCCCN MCULE-1282419209 [0,1,0,0,0,0|1,0,2]=4 234 B12R0.5 CCCCCCCCCCCCN MCULE-1312431857 [0,1,0,0,0,0|1,0,2]=4 235 B12R0.5 CCCCCCCCCCCCN MCULE-3936839656 [0,1,0,0,0,0|1,0,2]=4 236 B12R0.5 CCCCCCCCCCCCN MCULE-8497998841 [0,1,0,0,0,0|1,0,2]=4 237 B12R0.5 CCCCCCCCCCCCN MCULE-9101484482 [0,1,0,0,0,0|1,0,2]=4 238 B12R0.5 CCCCCCCCCCCCO MCULE-3423087499 [0,1,0,0,0,0|0,0,2]=3 239 B12R0.5 CCCCCCCCCCCCO MCULE-9381688904 [0,1,0,0,0,0|0,0,2]=3 240 B12R0.5 CCCCCCCCCCCCS MCULE-8388213802 [0,1,0,0,0,0|0,1,2]=4 241 B12R0.5 CCCCCCCCCCCNC MCULE-4232799137 [0,1,0,0,0,0|1,0,2]=4 242 B12R0.5 CCCCCCCCCCCNC MCULE-9324463288 [0,1,0,0,0,0|1,0,2]=4 243 B12R0.5 CCCCCCCCCCN=C=S MCULE-4799395674 [0,1,0,0,0,0|2,0,1]=4 244 B12R0.5 CCCCCCCCCCN=N#N MCULE-3752897707 [0,1,0,0,0,0|3,0,0]=4 245 B12R0.5 CCCCCCCCCCNC=O MCULE-2199641461 [0,1,0,0,0,0|2,0,0]=3 246 B12R0.5 CCCCCCCCCCSC#N MCULE-1909270846 [0,1,0,0,0,0|2,0,1]=4 247 B12R0.5 CCCCCCCCCCSCC MCULE-4046728399 [0,1,0,0,0,0|1,0,2]=4 248 B12R0.5 CCCCCCCCCSCCO MCULE-1890346670 [0,1,0,0,0,0|0,0,2]=3 249 B12R0.5 CCCCCCCCNCCC#N MCULE-1909140913 [0,1,0,0,0,0|2,0,1]=4 250 B12R0.5 CCCCCCCCNCCCC MCULE-6370859761 [0,1,0,0,0,0|1,0,2]=4 251 B12R0.5 CCCCCCCCNCCCN MCULE-1576630780 [0,1,0,0,0,0|1,0,2]=4 252 B12R0.5 CCCCCCCCNCCOC MCULE-9794668613 [0,1,0,0,0,0|1,0,2]=4 253 B12R0.5 CCCCCCCCOCCCN MCULE-3428959730 [0,1,0,0,0,0|1,0,2]=4 254 B12R0.5 CCCCCCCCOCCNC MCULE-3720493532 [0,1,0,0,0,0|2,0,1]=4 255 B12R0.5 CCCCCCCCOCCNC MCULE-6027502699 [0,1,0,0,0,0|2,0,1]=4 256 B12R0.5 CCCCCCCCSCCNC MCULE-1591454214 [0,1,0,0,0,0|2,0,1]=4 257 B12R0.5 CCCCCCCCSCCNC MCULE-9041733565 [0,1,0,0,0,0|2,0,1]=4 258 B12R0.5 CCCCCCCNCCCNC MCULE-3143160534 [0,1,0,0,0,0|2,0,1]=4 259 B12R0.5 CCCCCCCOCCCC=O MCULE-7580382219 [0,1,0,0,0,0|2,0,0]=3 260 B12R0.5 CCCCCCCOCCCCO MCULE-4232162406 [0,1,0,0,0,0|0,0,2]=3 261 B12R0.5 CCCCCCNCCCCCC MCULE-3670409724 [0,1,0,0,0,0|1,0,2]=4 262 B12R0.5 CCCCCCNCCCCCC MCULE-4867029659 [0,1,0,0,0,0|1,0,2]=4 263 B12R0.5 CCCCCCNCCCCCC MCULE-9932038203 [0,1,0,0,0,0|1,0,2]=4 264 B12R0.5 CCCCCCOCCCCCC MCULE-3976538682 [0,1,0,0,0,0|1,0,2]=4 265 B12R0.5 CCCCCCOCCOCCO MCULE-8195636539 [0,1,0,0,0,0|1,0,2]=4 266 B12R0.5 CCCCCCSCCCCCC MCULE-2928486782 [0,1,0,0,0,0|1,0,2]=4 267 B12R0.5 CCCCCCSCCOCCO MCULE-3415483366 [0,1,0,0,0,0|1,0,2]=4 268 B12R0.5 CCCOCCCCCCCCO MCULE-6159515912 [0,1,0,0,0,0|0,0,2]=3 269 B12R0.5 CCOCCCCCCCCCBr MCULE-4453801533 [0,1,0,0,0,0|1,0,2]=4 270 B12R0.5 CCOCCCCCCCCCO MCULE-6343777651 [0,1,0,0,0,0|0,0,2]=3 271 B12R0.5 COCCOCCNCCCCO MCULE-5212473311 [0,1,0,0,0,0|2,0,1]=4 272 B12R0.5 ClCCCCCOCCCCCCl MCULE-6237389376 [0,1,0,0,0,0|2,0,1]=4 273 B12R0.5 ICCCCCCCCCCCI MCULE-1394798562 [0,1,0,0,0,0|1,0,2]=4 274 B12R0.5 N#CCCCCCCCCCC#N MCULE-3961185998 [0,1,0,0,0,0|2,0,1]=4 275 B12R0.5 N#N=NCCCCCCCCCN MCULE-3364636937 [0,1,0,0,0,0|3,0,0]=4 276 B12R0.5 N#N=NCCCCCCCCCO MCULE-6954750928 [0,1,0,0,0,0|2,0,0]=3 277 B12R0.5 NCCCCCCCCCCCN MCULE-2996124008 [0,1,0,0,0,0|1,0,2]=4 278 B12R0.5 NCCCCCCCCCCCO MCULE-5135515993 [0,1,0,0,0,0|0,0,2]=3 279 B12R0.5 NCCCCCCCCCCCS MCULE-2278372977 [0,1,0,0,0,0|0,1,2]=4 280 B12R0.5 NCCCCCCCCCCCS MCULE-7023358275 [0,1,0,0,0,0|0,1,2]=4 281 B12R0.5 O=CCCCCCCCCCCBr MCULE-8057974781 [0,1,0,0,0,0|1,0,1]=3 282 B12R0.5 OCCCCCCCCCCCBr MCULE-5881088914 [0,1,0,0,0,0|0,0,2]=3 283 B12R0.5 OCCCCCCCCCCCO MCULE-6987509130 [0,1,0,0,0,0|0,0,2]=3 284 B12R0.5 OCCCCCCCCCCCS MCULE-4791107478 [0,1,0,0,0,0|0,0,2]=3 285 B12R0.5 OCCCCCOCCCCCO MCULE-5243842214 [0,1,0,0,0,0|1,0,1]=3 286 B12R0.5 OCCCCCSCCCCCO MCULE-3316565485 [0,1,0,0,0,0|1,0,1]=3 287 B12R0.5 OCCCOCCCOCCCO MCULE-3111801430 [0,1,0,0,0,0|2,0,1]=4 288 B12R0.5 SCCCCCCCCCCCBr MCULE-7291453493 [0,1,0,0,0,0|0,1,2]=4 289 B12R0.5 [NH2+](CCCC)CCCCCCCC MCULE-9696707679 [0,1,0,0,0,0|1,0,2]=4 290 B12R0.47 C=CCOCC(O)CSCCCC MCULE-3081176081 [0,1,0,0,0,0|3,0,0]=4 291 B12R0.47 CCCCCCC(O)CCCCC MCULE-9826172328 [0,1,0,0,0,0|1,0,2]=4 292 B12R0.206 C=CCOC(=O)NCCCCCO MCULE-4464976861 [0,1,0,0,0,0|2,0,1]=4 293 B12R0.206 CCCCCCCC(O)CCCC MCULE-7645297712 [0,1,0,0,0,0|1,0,2]=4 294 B12R0.234 C#CCCCCCCCCC(=O)Cl MCULE-2889527190 [0,1,0,0,0,0|2,0,1]=4 295 B12R0.234 C#CCCCCCCCCC(=O)O MCULE-2483655428 [0,1,0,0,0,0|0,0,3]=4 296 B12R0.234 C=C(Br)CCCCCCCCCC MCULE-6429692740 [0,1,0,0,0,0|1,0,0]=2 297 B12R0.234 C=C(C)CCCCCCCCCC MCULE-5430192671 [0,1,0,0,0,0|1,0,0]=2 298 B12R0.234 C=C(Cl)CCCCCCCCCC MCULE-5277185113 [0,1,0,0,0,0|1,0,0]=2 299 B12R0.234 C=CCCCCCCCCC(=O)C MCULE-8465504630 [0,1,0,0,0,0|0,0,2]=3 300 B12R0.234 C=CCCCCCCCCC(=O)Cl MCULE-1643300518 [0,1,0,0,0,0|0,0,2]=3 301 B12R0.234 C=CCCCCCCCCC(=O)N MCULE-2069893872 [0,1,0,0,0,0|0,0,2]=3 302 B12R0.234 C=CCCCCCCCCC(=O)O MCULE-7928135942 [0,1,0,0,0,0|0,0,1]=2 303 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-4921741648 [0,1,0,0,0,0|0,0,2]=3 304 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-8671525222 [0,1,0,0,0,0|0,0,2]=3 305 B12R0.234 C=CCCCCCCCCN(=O)=O MCULE-9960791760 [0,1,0,0,0,0|1,0,1]=3 306 B12R0.234 C=CCCCCCCCOC(=O)C MCULE-7392620730 [0,1,0,0,0,0|1,0,2]=4 307 B12R0.234 CC(=O)OCCCCCCCCBr MCULE-4728650316 [0,1,0,0,0,0|2,0,1]=4 308 B12R0.234 CCCCCCCCCCB(O)O MCULE-6277841305 [0,1,0,0,0,0|1,0,2]=4 309 B12R0.234 CCCCCCCCCCC(=O)C MCULE-3936750617 [0,1,0,0,0,0|1,0,1]=3 310 B12R0.234 CCCCCCCCCCC(=O)Cl MCULE-1131766423 [0,1,0,0,0,0|2,0,0]=3 311 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [0,1,0,0,0,0|2,0,0]=3 312 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [0,1,0,0,0,0|2,0,0]=3 313 B12R0.234 CCCCCCCCCCC(C)N MCULE-6206499625 [0,1,0,0,0,0|1,0,2]=4 314 B12R0.234 CCCCCCCCCCC(C)O MCULE-9407036721 [0,1,0,0,0,0|0,0,2]=3 315 B12R0.234 CCCCCCCCCCN(=O)=O MCULE-9525688454 [0,1,0,0,0,0|3,0,0]=4 316 B12R0.234 CCCCCCCCCCN(C)C MCULE-5051937267 [0,1,0,0,0,0|2,0,1]=4 317 B12R0.234 CCCCCCCCCCS(=O)C MCULE-1607212944 [0,1,0,0,0,0|2,0,1]=4 318 B12R0.234 CCCCCCCCCOC(=O)C MCULE-7712513310 [0,1,0,0,0,0|2,0,1]=4 319 B12R0.234 CCCCCCCCCOC(=O)Cl MCULE-4937657236 [0,1,0,0,0,0|3,0,0]=4 320 B12R0.234 CCCCCCCCCOC(=S)[S-] MCULE-1048722427 [0,1,0,0,0,0|3,0,0]=4 321 B12R0.234 CCCCCCCCCOC(=S)[S-] MCULE-2082950273 [0,1,0,0,0,0|3,0,0]=4 322 B12R0.234 CCCCCCCCCSC(=N)N MCULE-2574065227 [0,1,0,0,0,0|3,0,0]=4 323 B12R0.234 CCCCCCCCCSC(=N)N MCULE-7175152082 [0,1,0,0,0,0|3,0,0]=4 324 B12R0.234 CCCCCCCCNCC(C)O MCULE-9293787711 [0,1,0,0,0,0|1,0,2]=4 325 B12R0.234 CCCCCCCCOCC(=O)O MCULE-8710960938 [0,1,0,0,0,0|3,0,0]=4 326 B12R0.234 CCCCCCCCOCC(C)O MCULE-7262368590 [0,1,0,0,0,0|1,0,2]=4 327 B12R0.234 CCCCCCCCSCC(=O)N MCULE-3095528852 [0,1,0,0,0,0|3,0,0]=4 328 B12R0.234 CCCCCCCCSCC(=O)O MCULE-8082253480 [0,1,0,0,0,0|3,0,0]=4 329 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-1736831432 [0,1,0,0,0,0|3,0,0]=4 330 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-8284012398 [0,1,0,0,0,0|3,0,0]=4 331 B12R0.234 CCCCCCCNCCC(=O)N MCULE-9973742738 [0,1,0,0,0,0|3,0,0]=4 332 B12R0.234 CCOCCCCCCCC(=O)O MCULE-4393917993 [0,1,0,0,0,0|3,0,0]=4 333 B12R0.234 N#CCCCCCCCCC(=O)O MCULE-1219422242 [0,1,0,0,0,0|1,0,2]=4 334 B12R0.234 NCCCCCCCCCC(=O)O MCULE-1324986945 [0,1,0,0,0,0|2,0,0]=3 335 B12R0.234 O=C(O)/C=C/CCCCCCCO MCULE-7936793574 [0,1,0,0,0,0|1,0,2]=4 336 B12R0.234 O=C(O)C=CCCCCCCCO MCULE-6067845776 [0,1,0,0,0,0|1,0,2]=4 337 B12R0.234 O=C(O)CCCCCCCCCBr MCULE-5728710095 [0,1,0,0,0,0|2,0,0]=3 338 B12R0.234 O=C(O)CCCCCCCCCF MCULE-1907577974 [0,1,0,0,0,0|2,0,0]=3 339 B12R0.234 O=C(O)CCCCCCCCCO MCULE-3771681317 [0,1,0,0,0,0|1,0,0]=2 340 B12R0.234 O=N(=O)CCCCCCCCCBr MCULE-3636866484 [0,1,0,0,0,0|3,0,0]=4 341 B12R0.234 O=N(=O)CCCCCCCCCO MCULE-4658294221 [0,1,0,0,0,0|2,0,0]=3 342 B12R0.248 C=CC(=O)NCCCCCCCC MCULE-9686941876 [0,1,0,0,0,0|2,0,1]=4 343 B12R0.248 C=CC(=O)OCCCCCCCC MCULE-8708207271 [0,1,0,0,0,0|2,0,1]=4 344 B12R0.248 C=CCCCCCCCC(=O)OC MCULE-1843303649 [0,1,0,0,0,0|2,0,1]=4 345 B12R0.248 CCCCCCCCCC(C)C=O MCULE-7485962352 [0,1,0,0,0,0|2,0,0]=3 346 B12R0.248 CCCCCCCCCC(O)CC MCULE-8088841540 [0,1,0,0,0,0|1,0,2]=4 347 B12R0.248 CCCCCCCCCC(O)CO MCULE-3958170897 [0,1,0,0,0,0|0,0,2]=3 348 B12R0.248 CCCCCCCCCC([NH3+])CO MCULE-4329139225 [0,1,0,0,0,0|0,0,2]=3 349 B12R0.248 CCCCCCCCCC([NH3+])CO MCULE-6424120612 [0,1,0,0,0,0|0,0,2]=3 350 B12R0.248 COC(=O)CCCCCCCCO MCULE-5867988584 [0,1,0,0,0,0|1,0,2]=4 351 B12R0.248 OCCCCCCCCC(O)CO MCULE-5399962147 [0,1,0,0,0,0|1,0,1]=3 352 B12R1.8 BrCCCCOC1CCCCO1 MCULE-1388551227 [0,0,0,1,0,0|2,0,1]=4 353 B12R1.8 BrCCCOCC1CCCCO1 MCULE-7293009580 [0,0,0,1,0,0|2,0,1]=4 354 B12R1.8 C#CCCCOC1CCCCO1 MCULE-6510708463 [0,0,0,1,0,0|1,0,2]=4 355 B12R1.8 C=CCCCCC1CCCCC1 MCULE-1420996147 [0,0,0,1,0,0|1,0,0]=2 356 B12R1.8 C=CCCCOC1CCCCO1 MCULE-4661795005 [0,0,0,1,0,0|1,0,0]=2 357 B12R1.8 C=CCCCOC1CCCNC1 MCULE-2546068759 [0,0,0,1,0,0|3,0,0]=4 358 B12R1.8 C=CCCCOC1CCCNC1 MCULE-7029929169 [0,0,0,1,0,0|3,0,0]=4 359 B12R1.8 C=CCCCOC1CCNCC1 MCULE-2388234125 [0,0,0,1,0,0|3,0,0]=4 360 B12R1.8 C=CCCCOC1CCNCC1 MCULE-6017547784 [0,0,0,1,0,0|3,0,0]=4 361 B12R1.8 C=CCOCCC1CCCCN1 MCULE-3208226255 [0,0,0,1,0,0|2,0,0]=3 362 B12R1.8 C=CCOCCC1CCCCN1 MCULE-5767070473 [0,0,0,1,0,0|2,0,0]=3 363 B12R1.8 C=CCOCCC1CCCNC1 MCULE-1147857217 [0,0,0,1,0,0|3,0,0]=4 364 B12R1.8 C=CCOCCC1CCCNC1 MCULE-7362595979 [0,0,0,1,0,0|3,0,0]=4 365 B12R1.8 C=CCOCCC1CCNCC1 MCULE-6001428759 [0,0,0,1,0,0|3,0,0]=4 366 B12R1.8 C=CCOCCC1CCNCC1 MCULE-9499636665 [0,0,0,1,0,0|3,0,0]=4 367 B12R1.8 CCCCCCC1CCCCC1 MCULE-5596413302 [0,0,0,1,0,0|1,0,2]=4 368 B12R1.8 CCCCCCC1CCCCN1 MCULE-4953489742 [0,0,0,1,0,0|1,0,2]=4 369 B12R1.8 CCCCCCC1CCCCN1 MCULE-7758843685 [0,0,0,1,0,0|1,0,2]=4 370 B12R1.8 CCCCCCC1CCCNC1 MCULE-3360628584 [0,0,0,1,0,0|2,0,1]=4 371 B12R1.8 CCCCCCC1CCCNC1 MCULE-4345567859 [0,0,0,1,0,0|2,0,1]=4 372 B12R1.8 CNCCOCC1CCCCO1 MCULE-1593067132 [0,0,0,1,0,0|2,0,1]=4 373 B12R1.8 ClCCCCOC1CCCCO1 MCULE-9541336447 [0,0,0,1,0,0|2,0,1]=4 374 B12R1.8 ICCCCOC1CCCCO1 MCULE-5687538603 [0,0,0,1,0,0|2,0,1]=4 375 B12R1.8 OCCCCCN1CCCCC1 MCULE-3016698326 [0,0,0,1,0,0|1,0,2]=4 376 B12R1.8 OCCCCNC1CCCCC1 MCULE-2543962577 [0,0,0,1,0,0|1,0,2]=4 377 B12R1.8 OCCCNCC1CCCCC1 MCULE-2206880526 [0,0,0,1,0,0|1,0,2]=4 378 B12R1.8 OCCCOCC1CCCCC1 MCULE-5047368988 [0,0,0,1,0,0|1,0,2]=4 379 B12R1.18 CCCCN1CCCCCC1=O MCULE-2860927768 [0,0,0,1,0,0|3,0,0]=4 380 B12R1.18 NCCCN1CCCCCC1=O MCULE-7534720301 [0,0,0,1,0,0|3,0,0]=4 381 B12R1.18 NCCCN1CCCCCC1=O MCULE-7641696435 [0,0,0,1,0,0|3,0,0]=4 382 B12R1.37 C=CCCCOCC1CCNC1 MCULE-1893572611 [0,0,0,1,0,0|3,0,0]=4 383 B12R1.37 C=CCCCOCC1CCNC1 MCULE-8568203390 [0,0,0,1,0,0|3,0,0]=4 384 B12R1.37 CCCCCCCC1OCCO1 MCULE-9440265689 [0,0,0,1,0,0|1,0,2]=4 385 B12R1.37 CNCCCNCC1CCCO1 MCULE-3787587012 [0,0,0,1,0,0|2,0,1]=4 386 B12R1.37 OCCCCCCN1C=CN=N1 MCULE-7158083416 [0,0,0,1,0,0|3,0,0]=4 387 B12R1.45 NCCCCN1CCCC1CO MCULE-5232755321 [0,0,0,1,0,0|2,0,1]=4 388 B12R1.121 CCC1CCCCC1OCCO MCULE-2333871269 [0,0,0,1,0,0|1,0,2]=4 389 B12R1.121 NCCCN1CCCCC1CO MCULE-7723722104 [0,0,0,1,0,0|2,0,1]=4 390 B12R1.169 COCC1CCCCN1CCO MCULE-7322905667 [0,0,0,1,0,0|2,0,1]=4 391 B12R1.215 O=C1CCNCCCCCCN1 MCULE-1263100451 [0,0,0,1,0,0|3,0,0]=4 392 B12R1.267 CCCCCC1CCCCC1=O MCULE-3162873716 [0,0,0,1,0,0|2,0,0]=3 393 B12R1.267 CN1CCCCC1CNCCO MCULE-6297074259 [0,0,0,1,0,0|2,0,1]=4 394 B12R1.267 CN1CCCCC1COCCO MCULE-8740030035 [0,0,0,1,0,0|2,0,1]=4 395 B12R1.267 NCCCCN1CCCCC1=O MCULE-5609841049 [0,0,0,1,0,0|3,0,0]=4 396 B12R1.267 O=C1CCCCC1CNCCBr MCULE-7462371251 [0,0,0,1,0,0|3,0,0]=4 397 B12R1.267 O=C1CCCCC1CNCCBr MCULE-8159055342 [0,0,0,1,0,0|3,0,0]=4 398 B12R1.329 C=CCNC1CCCCCCC1 MCULE-4436940732 [0,0,0,1,0,0|2,0,0]=3 399 B12R1.329 C=CCNC1CCCCCCC1 MCULE-7467999336 [0,0,0,1,0,0|2,0,0]=3 400 B12R1.372 CCCCCCC1CCCC1=O MCULE-9980064191 [0,0,0,1,0,0|2,0,0]=3 401 B12R1.372 CCCCCCC1CCOC1=O MCULE-7489729502 [0,0,0,1,0,0|3,0,0]=4 402 B12R1.372 CCCCCCN1CCCC1=O MCULE-1097521229 [0,0,0,1,0,0|3,0,0]=4 403 B12R1.375 CCCCCCCCC[C@@H]1CO1 MCULE-1904651720 [0,0,0,1,0,0|0,0,2]=3 404 B12R1.375 CCCCCCCOC[C@H]1CO1 MCULE-6928162982 [0,0,0,1,0,0|1,0,2]=4 405 B12R1.410 CNC1CCCCCCCCC1 MCULE-9906028937 [0,0,0,1,0,0|2,0,1]=4 406 B12R1.550 C1=CCCCCCCCCCC1 MCULE-7809911769 [0,0,0,1,0,0|1,0,0]=2 407 B12R1.550 C1=CCCCCCCCCCC1 MCULE-9211992042 [0,0,0,1,0,0|1,0,0]=2 408 B12R1.550 C1CCCCCCCCCCC1 MCULE-7420288531 [0,0,0,1,0,0|1,0,2]=4 409 B12R1.1414 C=CCCCC1CCCCCC1 MCULE-7969593113 [0,0,0,1,0,0|1,0,0]=2 410 B12R1.1414 C=CCNCC1OCCCCO1 MCULE-3596413680 [0,0,0,1,0,0|2,0,0]=3 411 B12R1.1414 OCCCCN1CCCCCC1 MCULE-6965728729 [0,0,0,1,0,0|1,0,2]=4 412 B12R1.1414 OCCCOC1CCCCCC1 MCULE-9402583694 [0,0,0,1,0,0|1,0,2]=4 413 B9R0.45 BrCCCCCCCCBr MCULE-7960475988 [2,0,0,0,0,0|2,0,0]=4 414 B9R0.45 C#CCCCCCCCC MCULE-3452683648 [2,0,0,0,0,0|0,0,2]=4 415 B9R0.45 C#CCCCCCCCO MCULE-8834112591 [2,0,0,0,0,0|0,0,2]=4 416 B9R0.45 C(=C\CCCCCO)\CC MCULE-7910166129 [2,0,0,0,0,0|0,0,2]=4 417 B9R0.45 C=CCCCCCCC#N MCULE-9683735042 [2,0,0,0,0,0|1,0,1]=4 418 B9R0.45 C=CCCCCCCC=C MCULE-5867550577 [2,0,0,0,0,0|0,0,2]=4 419 B9R0.45 C=CCCCCCCC=O MCULE-4979248929 [2,0,0,0,0,0|0,0,2]=4 420 B9R0.45 C=CCCCCCCCBr MCULE-6324921683 [2,0,0,0,0,0|1,0,0]=3 421 B9R0.45 C=CCCCCCCCC MCULE-1391753135 [2,0,0,0,0,0|0,0,0]=2 422 B9R0.45 C=CCCCCCCCCl MCULE-3438052360 [2,0,0,0,0,0|1,0,0]=3 423 B9R0.45 C=CCCCCCCCN MCULE-5068886534 [2,0,0,0,0,0|1,0,0]=3 424 B9R0.45 C=CCCCCCCCN MCULE-7639889154 [2,0,0,0,0,0|1,0,0]=3 425 B9R0.45 C=CCCCCCCCO MCULE-9611510472 [2,0,0,0,0,0|0,0,0]=2 426 B9R0.45 C=CCCNCCCCO MCULE-4909275740 [2,0,0,0,0,0|1,0,0]=3 427 B9R0.45 C=CCOCCOCCO MCULE-8770253790 [2,0,0,0,0,0|2,0,0]=4 428 B9R0.45 CC=CCCCCCCC MCULE-6461098537 [2,0,0,0,0,0|0,0,2]=4 429 B9R0.45 CCC=CCCCCCO MCULE-1504274864 [2,0,0,0,0,0|0,0,2]=4 430 B9R0.45 CCCCC#CCCCO MCULE-1298739911 [2,0,0,0,0,0|0,0,2]=4 431 B9R0.45 CCCCC/C=C\CCO MCULE-4434068395 [2,0,0,0,0,0|0,0,2]=4 432 B9R0.45 CCCCCC#CCCO MCULE-7189083538 [2,0,0,0,0,0|0,0,2]=4 433 B9R0.45 CCCCCC/C=C/CO MCULE-1969100525 [2,0,0,0,0,0|0,0,2]=4 434 B9R0.45 CCCCCC/C=C\CO MCULE-4688229291 [2,0,0,0,0,0|0,0,2]=4 435 B9R0.45 CCCCCC=CCCO MCULE-4969061256 [2,0,0,0,0,0|0,0,2]=4 436 B9R0.45 CCCCCCC#CCO MCULE-7144291083 [2,0,0,0,0,0|0,0,2]=4 437 B9R0.45 CCCCCCC=CCO MCULE-8666977236 [2,0,0,0,0,0|0,0,2]=4 438 B9R0.45 CCCCCCCCC#N MCULE-9980153452 [2,0,0,0,0,0|1,0,1]=4 439 B9R0.45 CCCCCCCCC=O MCULE-9888879952 [2,0,0,0,0,0|1,0,0]=3 440 B9R0.45 CCCCCCCCCBr MCULE-1405697483 [2,0,0,0,0,0|1,0,0]=3 441 B9R0.45 CCCCCCCCCC MCULE-6071426098 [2,0,0,0,0,0|0,0,1]=3 442 B9R0.45 CCCCCCCCCCl MCULE-6711902685 [2,0,0,0,0,0|1,0,0]=3 443 B9R0.45 CCCCCCCCCF MCULE-9584148452 [2,0,0,0,0,0|1,0,0]=3 444 B9R0.45 CCCCCCCCCI MCULE-8717337450 [2,0,0,0,0,0|1,0,0]=3 445 B9R0.45 CCCCCCCCCN MCULE-5395407299 [2,0,0,0,0,0|1,0,0]=3 446 B9R0.45 CCCCCCCCCO MCULE-4020281400 [2,0,0,0,0,0|0,0,0]=2 447 B9R0.45 CCCCCCCCCS MCULE-1070515106 [2,0,0,0,0,0|0,1,0]=3 448 B9R0.45 CCCCCCCCNC MCULE-6996288442 [2,0,0,0,0,0|1,0,1]=4 449 B9R0.45 CCCCCCCCOC MCULE-4646070035 [2,0,0,0,0,0|1,0,1]=4 450 B9R0.45 CCCCCCCCSC MCULE-5517176664 [2,0,0,0,0,0|1,0,1]=4 451 B9R0.45 CCCCCCCNC=O MCULE-7638122818 [2,0,0,0,0,0|2,0,0]=4 452 B9R0.45 CCCCCCCNCC MCULE-3055645322 [2,0,0,0,0,0|1,0,1]=4 453 B9R0.45 CCCCCCCOC=O MCULE-6396391540 [2,0,0,0,0,0|2,0,0]=4 454 B9R0.45 CCCCCCNCCN MCULE-2521807905 [2,0,0,0,0,0|2,0,0]=4 455 B9R0.45 CCCCCCNCCN MCULE-5886608711 [2,0,0,0,0,0|2,0,0]=4 456 B9R0.45 CCCCCCNCCO MCULE-6828996225 [2,0,0,0,0,0|1,0,0]=3 457 B9R0.45 CCCCCCOCCCl MCULE-5675234570 [2,0,0,0,0,0|2,0,0]=4 458 B9R0.45 CCCCCCOCCO MCULE-1339769602 [2,0,0,0,0,0|1,0,0]=3 459 B9R0.45 CCCCCCSCCO MCULE-3331753796 [2,0,0,0,0,0|1,0,0]=3 460 B9R0.45 CCCCCNCCCC MCULE-4324738465 [2,0,0,0,0,0|1,0,1]=4 461 B9R0.45 CCCCCOCCCO MCULE-3048029561 [2,0,0,0,0,0|1,0,0]=3 462 B9R0.45 CCCCNCCCCO MCULE-1748671401 [2,0,0,0,0,0|1,0,0]=3 463 B9R0.45 CCCCOCCCCO MCULE-1926189258 [2,0,0,0,0,0|1,0,0]=3 464 B9R0.45 CCCC[NH2+]CCCCCl MCULE-2045714641 [2,0,0,0,0,0|2,0,0]=4 465 B9R0.45 CCCC[NH2+]CCCCCl MCULE-2222567485 [2,0,0,0,0,0|2,0,0]=4 466 B9R0.45 CCCNCCOCCO MCULE-9598749389 [2,0,0,0,0,0|2,0,0]=4 467 B9R0.45 CCCOCCOCCO MCULE-8416880348 [2,0,0,0,0,0|2,0,0]=4 468 B9R0.45 CNCCCNCCCO MCULE-9778642064 [2,0,0,0,0,0|2,0,0]=4 469 B9R0.45 COCCCOCCCO MCULE-6516268580 [2,0,0,0,0,0|2,0,0]=4 470 B9R0.45 COCCNCCCCO MCULE-8413188192 [2,0,0,0,0,0|2,0,0]=4 471 B9R0.45 ClCCCCCCCCCl MCULE-7522868799 [2,0,0,0,0,0|2,0,0]=4 472 B9R0.45 ICCCCCCCCI MCULE-6544838106 [2,0,0,0,0,0|2,0,0]=4 473 B9R0.45 NCCCCCCCCBr MCULE-6623783968 [2,0,0,0,0,0|2,0,0]=4 474 B9R0.45 NCCCCCCCCBr MCULE-9911947498 [2,0,0,0,0,0|2,0,0]=4 475 B9R0.45 NCCCCCCCCN MCULE-1106731228 [2,0,0,0,0,0|2,0,0]=4 476 B9R0.45 NCCCCCCCCN MCULE-9889097856 [2,0,0,0,0,0|2,0,0]=4 477 B9R0.45 NCCCCCCCCO MCULE-1230018398 [2,0,0,0,0,0|1,0,0]=3 478 B9R0.45 NCCNCCCCCO MCULE-7178121419 [2,0,0,0,0,0|2,0,0]=4 479 B9R0.45 NCCNCCCCCO MCULE-8348628451 [2,0,0,0,0,0|2,0,0]=4 480 B9R0.45 OCCCCCCCCBr MCULE-2005797184 [2,0,0,0,0,0|1,0,0]=3 481 B9R0.45 OCCCCCCCCCl MCULE-8776830410 [2,0,0,0,0,0|1,0,0]=3 482 B9R0.45 OCCCCCCCCI MCULE-7793639517 [2,0,0,0,0,0|1,0,0]=3 483 B9R0.45 OCCCCCCCCO MCULE-7897417838 [2,0,0,0,0,0|1,0,0]=3 484 B9R0.45 OCCCCCCCCS MCULE-8372814979 [2,0,0,0,0,0|1,0,0]=3 485 B9R0.45 SCCCCCCCCS MCULE-5325130158 [2,0,0,0,0,0|1,1,0]=4 486 B9R0.45 [NH2+](CCCC)CCCCC MCULE-5314318531 [2,0,0,0,0,0|1,0,1]=4 487 B11R0.4 C=CCC(C)CCCCCCC MCULE-9517976108 [1,1,0,0,0,0|0,0,0]=2 488 B11R0.4 C=CCCCCCC(=O)OCC MCULE-7006723315 [1,1,0,0,0,0|1,0,1]=4 489 B11R0.4 C=COC(=O)CCCCCCC MCULE-8119830012 [1,1,0,0,0,0|1,0,1]=4 490 B11R0.4 CCCCCCCC(O)CCC MCULE-3007528112 [1,1,0,0,0,0|0,0,2]=4 491 B11R0.40 C=C(C=O)CCCCCCCC MCULE-1736101056 [1,1,0,0,0,0|1,0,1]=4 492 B11R0.40 C=CC(=O)OCCCCCCO MCULE-8684012773 [1,1,0,0,0,0|1,0,1]=4 493 B11R0.40 C=CCCCCCCC(O)CN MCULE-2780524307 [1,1,0,0,0,0|1,0,0]=3 494 B11R0.40 C=CS(=O)CCCCCCCC MCULE-1360438768 [1,1,0,0,0,0|1,0,0]=3 495 B11R0.40 CCCCCCCCC(=O)C=O MCULE-2896760493 [1,1,0,0,0,0|1,0,1]=4 496 B11R0.40 CCCCCCCCC(Br)CBr MCULE-7825522302 [1,1,0,0,0,0|1,0,1]=4 497 B11R0.40 CCCCCCCCC(C)C#N MCULE-1011753357 [1,1,0,0,0,0|1,0,1]=4 498 B11R0.40 CCCCCCCCC(C)C=O MCULE-9301043210 [1,1,0,0,0,0|1,0,0]=3 499 B11R0.40 CCCCCCCCC(C)CO MCULE-6530142953 [1,1,0,0,0,0|0,0,1]=3 500 B11R0.40 CCCCCCCCC(Cl)CCl MCULE-6741925726 [1,1,0,0,0,0|1,0,1]=4 501 B11R0.40 CCCCCCCCC(N)CO MCULE-3838512887 [1,1,0,0,0,0|0,0,1]=3 502 B11R0.40 CCCCCCCCC(O)CC MCULE-7447063642 [1,1,0,0,0,0|0,0,2]=4 503 B11R0.40 CCCCCCCCC(O)CN MCULE-1386452336 [1,1,0,0,0,0|1,0,1]=4 504 B11R0.40 CCCCCCCCC(O)CO MCULE-4401791520 [1,1,0,0,0,0|0,0,1]=3 505 B11R0.40 CCCCCCCCC([NH3+])CO MCULE-9745638839 [1,1,0,0,0,0|0,0,1]=3 506 B11R0.40 CCCCCCCC[C@@H](Br)C=O MCULE-3823724408 [1,1,0,0,0,0|1,0,0]=3 507 B11R0.40 CCCCCCCC[C@@H](O)CO MCULE-3097644735 [1,1,0,0,0,0|0,0,1]=3 508 B11R0.40 CCCCCCCC[C@@H](O)CO MCULE-9306542938 [1,1,0,0,0,0|0,0,1]=3 509 B11R0.40 CCCCCCCC[C@H](C)C=O MCULE-7337993182 [1,1,0,0,0,0|1,0,0]=3 510 B11R0.40 CCCCCCOCC(O)CO MCULE-6836288154 [1,1,0,0,0,0|1,0,1]=4 511 B11R0.40 OCCCCCCCC(O)CO MCULE-9195681013 [1,1,0,0,0,0|1,0,0]=3 512 B11R0.81 C=CCOC(=O)CCCCCC MCULE-3528769589 [1,1,0,0,0,0|1,0,1]=4 513 B11R0.81 CCCCCCC(C)OCCO MCULE-2974953071 [1,1,0,0,0,0|1,0,1]=4 514 B11R0.81 CCCCCCC(O)CCCC MCULE-1549907527 [1,1,0,0,0,0|0,0,2]=4 515 B11R0.81 CCCCS(=O)CCCCCO MCULE-1757503463 [1,1,0,0,0,0|1,0,1]=4 516 B11R0.140 C=CCCCC(O)CCCC=C MCULE-5222419035 [1,1,0,0,0,0|0,0,2]=4 517 B11R0.140 CCCCCC(N)CCCCC MCULE-7357551566 [1,1,0,0,0,0|0,0,2]=4 518 B11R0.140 CCCCCC(O)CCCCC MCULE-6556320478 [1,1,0,0,0,0|0,0,2]=4 519 B11R0.148 C=C(Br)CCCCCCCC#N MCULE-9330962697 [1,1,0,0,0,0|1,0,1]=4 520 B11R0.148 C=C(Br)CCCCCCCCC MCULE-3332268450 [1,1,0,0,0,0|0,0,0]=2 521 B11R0.148 C=C(C)CCCCCCCC#N MCULE-9047905081 [1,1,0,0,0,0|1,0,1]=4 522 B11R0.148 C=C(C)CCCCCCCCC MCULE-1709497926 [1,1,0,0,0,0|0,0,0]=2 523 B11R0.148 C=C(Cl)CCCCCCCC#N MCULE-1260885724 [1,1,0,0,0,0|1,0,1]=4 524 B11R0.148 C=C(Cl)CCCCCCCCC MCULE-9304719526 [1,1,0,0,0,0|0,0,0]=2 525 B11R0.148 C=CCCCCCCCC(=C)C MCULE-4065354989 [1,1,0,0,0,0|0,0,1]=3 526 B11R0.148 C=CCCCCCCCC(=O)O MCULE-3892173219 [1,1,0,0,0,0|0,0,1]=3 527 B11R0.148 C=CCCCCCCOC(=O)C MCULE-2561625191 [1,1,0,0,0,0|1,0,1]=4 528 B11R0.148 C=CCCOCCCCC(=O)O MCULE-6026091154 [1,1,0,0,0,0|1,0,1]=4 529 B11R0.148 C=CCOCCCCCC(=O)O MCULE-9227890338 [1,1,0,0,0,0|1,0,1]=4 530 B11R0.148 CC(=O)CCCCCCCCBr MCULE-8502798206 [1,1,0,0,0,0|1,0,1]=4 531 B11R0.148 CC(C)CCCCCCCCO MCULE-9926933955 [1,1,0,0,0,0|0,0,1]=3 532 B11R0.148 CC(O)CCCCCCCCO MCULE-6820244164 [1,1,0,0,0,0|0,0,1]=3 533 B11R0.148 CCCCCCCCCC(=N)N MCULE-6113298447 [1,1,0,0,0,0|1,0,0]=3 534 B11R0.148 CCCCCCCCCC(=N)N MCULE-7599360964 [1,1,0,0,0,0|1,0,0]=3 535 B11R0.148 CCCCCCCCCC(=O)C MCULE-6858373499 [1,1,0,0,0,0|0,0,1]=3 536 B11R0.148 CCCCCCCCCC(=O)Cl MCULE-4226412977 [1,1,0,0,0,0|1,0,0]=3 537 B11R0.148 CCCCCCCCCC(=O)F MCULE-1839398331 [1,1,0,0,0,0|1,0,0]=3 538 B11R0.148 CCCCCCCCCC(=O)N MCULE-1159230758 [1,1,0,0,0,0|1,0,0]=3 539 B11R0.148 CCCCCCCCCC(=O)O MCULE-3914949169 [1,1,0,0,0,0|1,0,0]=3 540 B11R0.148 CCCCCCCCCC(=O)O MCULE-7204730113 [1,1,0,0,0,0|1,0,0]=3 541 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-2720595773 [1,1,0,0,0,0|1,0,0]=3 542 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-7398604282 [1,1,0,0,0,0|1,0,0]=3 543 B11R0.148 CCCCCCCCCC(C)C MCULE-1079534714 [1,1,0,0,0,0|0,0,2]=4 544 B11R0.148 CCCCCCCCCC(C)N MCULE-8277808063 [1,1,0,0,0,0|0,0,2]=4 545 B11R0.148 CCCCCCCCCC(C)O MCULE-8628471202 [1,1,0,0,0,0|0,0,1]=3 546 B11R0.148 CCCCCCCCCC(S)S MCULE-7049062381 [1,1,0,0,0,0|0,1,1]=4 547 B11R0.148 CCCCCCCCCN(=O)=O MCULE-5909474153 [1,1,0,0,0,0|2,0,0]=4 548 B11R0.148 CCCCCCCCN=C(N)N MCULE-8281267777 [1,1,0,0,0,0|2,0,0]=4 549 B11R0.148 CCCCCCCCN=C(N)N MCULE-9658902055 [1,1,0,0,0,0|2,0,0]=4 550 B11R0.148 CCCCCCCCNC(=O)N MCULE-1005292011 [1,1,0,0,0,0|2,0,0]=4 551 B11R0.148 CCCCCCCCNC(=S)N MCULE-3981792857 [1,1,0,0,0,0|2,0,0]=4 552 B11R0.148 CCCCCCCCOC(=O)C MCULE-8590238161 [1,1,0,0,0,0|1,0,1]=4 553 B11R0.148 CCCCCCCCOC(=O)Cl MCULE-2623966790 [1,1,0,0,0,0|2,0,0]=4 554 B11R0.148 CCCCCCCCOC(=S)[S-] MCULE-4226166972 [1,1,0,0,0,0|2,0,0]=4 555 B11R0.148 CCCCCCCCOC(=S)[S-] MCULE-7459596444 [1,1,0,0,0,0|2,0,0]=4 556 B11R0.148 CCCCCCCNCC(=O)O MCULE-2155508761 [1,1,0,0,0,0|2,0,0]=4 557 B11R0.148 CCCCCCCNCC(=O)O MCULE-8805007132 [1,1,0,0,0,0|2,0,0]=4 558 B11R0.148 CCCCCCCSCC(=O)O MCULE-7218313490 [1,1,0,0,0,0|2,0,0]=4 559 B11R0.148 CCCCSCCCCC(=O)O MCULE-1665011362 [1,1,0,0,0,0|2,0,0]=4 560 B11R0.148 CN(C)CCCCCCCCO MCULE-5273481320 [1,1,0,0,0,0|1,0,1]=4 561 B11R0.148 NC(=O)CCCCCCCCCl MCULE-4533445908 [1,1,0,0,0,0|2,0,0]=4 562 B11R0.148 NCCCCCCCCC(=O)O MCULE-9064856591 [1,1,0,0,0,0|1,0,1]=4 563 B11R0.148 O=C(O)CCCCCCCCBr MCULE-2459167157 [1,1,0,0,0,0|1,0,1]=4 564 B11R0.148 O=C(O)CCCCCCCCCl MCULE-9010808862 [1,1,0,0,0,0|1,0,1]=4 565 B11R0.148 O=C(O)CCCCCCCCO MCULE-6121514710 [1,1,0,0,0,0|1,0,0]=3 566 B11R0.148 O=CCCCCCCCC(=O)O MCULE-8345312745 [1,1,0,0,0,0|1,0,1]=4 567 B11R0.148 O=N(=O)CCCCCCCCO MCULE-3641883800 [1,1,0,0,0,0|2,0,0]=4 568 B13R0.2 C=CCCCCCCCC(=O)OCC MCULE-7330309912 [0,2,0,0,0,0|1,0,1]=4 569 B13R0.2 C=COC(=O)CCCCCCCCC MCULE-6857715884 [0,2,0,0,0,0|1,0,1]=4 570 B13R0.2 CCCCCCCCCC(O)CCO MCULE-6275560025 [0,2,0,0,0,0|0,0,2]=4 571 B13R0.66 C=CCOC(=O)CCCCCCCC MCULE-4814095857 [0,2,0,0,0,0|1,0,1]=4 572 B13R0.66 C=CCOC(=O)NCCCCCCO MCULE-5619662729 [0,2,0,0,0,0|1,0,1]=4 573 B13R0.66 CCCCCCCCS(=O)CCCO MCULE-2280372695 [0,2,0,0,0,0|0,0,2]=4 574 B13R0.335 C=C(C)CC(C)CCCCCCCC MCULE-5619106321 [0,2,0,0,0,0|1,0,0]=3 575 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-2748735108 [0,2,0,0,0,0|2,0,0]=4 576 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-8926877324 [0,2,0,0,0,0|2,0,0]=4 577 B13R0.335 CCCCCCCCC(C)CC(=O)O MCULE-1071013190 [0,2,0,0,0,0|2,0,0]=4 578 B13R0.335 CCCCCCCCC(O)CC(=O)O MCULE-3464929288 [0,2,0,0,0,0|2,0,0]=4 579 B13R0.54 C#CCCCCCCCCCC(=O)O MCULE-3493346393 [0,2,0,0,0,0|0,0,2]=4 580 B13R0.54 C=C(C)CCCCCCCCCCC MCULE-6486590493 [0,2,0,0,0,0|1,0,0]=3 581 B13R0.54 C=CCCCCCCCCCC(=C)C MCULE-9813642699 [0,2,0,0,0,0|1,0,0]=3 582 B13R0.54 C=CCCCCCCCCCC(=O)C MCULE-5730123957 [0,2,0,0,0,0|0,0,1]=3 583 B13R0.54 C=CCCCCCCCCCC(=O)O MCULE-6330367894 [0,2,0,0,0,0|0,0,0]=2 584 B13R0.54 C=CCCCCCCCCCN(=O)=O MCULE-7314787792 [0,2,0,0,0,0|0,0,1]=3 585 B13R0.54 C=CCCCCCCCCOC(=O)C MCULE-3987813819 [0,2,0,0,0,0|0,0,2]=4 586 B13R0.54 CC(C)CCCCCCCCCCO MCULE-3770739954 [0,2,0,0,0,0|0,0,2]=4 587 B13R0.54 CCCCCCCCC/C=C/C(=O)O MCULE-8068052432 [0,2,0,0,0,0|1,0,1]=4 588 B13R0.54 CCCCCCCCCC=CC(=O)O MCULE-5397880976 [0,2,0,0,0,0|1,0,1]=4 589 B13R0.54 CCCCCCCCCCCC(=N)N MCULE-2355708247 [0,2,0,0,0,0|1,0,1]=4 590 B13R0.54 CCCCCCCCCCCC(=O)C MCULE-9311016763 [0,2,0,0,0,0|1,0,1]=4 591 B13R0.54 CCCCCCCCCCCC(=O)Cl MCULE-9866142193 [0,2,0,0,0,0|1,0,1]=4 592 B13R0.54 CCCCCCCCCCCC(=O)N MCULE-2324074583 [0,2,0,0,0,0|1,0,1]=4 593 B13R0.54 CCCCCCCCCCCC(=O)O MCULE-2795129925 [0,2,0,0,0,0|0,0,2]=4 594 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-4306276668 [0,2,0,0,0,0|1,0,1]=4 595 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-5989799433 [0,2,0,0,0,0|1,0,1]=4 596 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-7873290711 [0,2,0,0,0,0|1,0,1]=4 597 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-8752609733 [0,2,0,0,0,0|1,0,1]=4 598 B13R0.54 CCCCCCCCCCCC(C)O MCULE-3181779723 [0,2,0,0,0,0|0,0,2]=4 599 B13R0.54 CCCCCCCCCCNC(=O)N MCULE-8422314743 [0,2,0,0,0,0|2,0,0]=4 600 B13R0.54 CCCCCCCCCCNC(=S)N MCULE-1226316897 [0,2,0,0,0,0|2,0,0]=4 601 B13R0.54 CCCCCCCCCCOC(=O)C MCULE-7452399897 [0,2,0,0,0,0|1,0,1]=4 602 B13R0.54 CCCCCCCCCCOC(=O)Cl MCULE-8601514194 [0,2,0,0,0,0|2,0,0]=4 603 B13R0.54 CCCCCCCCCCOC(=S)[S-] MCULE-8121799109 [0,2,0,0,0,0|2,0,0]=4 604 B13R0.54 CCCCCCCCCCOC(=S)[S-] MCULE-8750716716 [0,2,0,0,0,0|2,0,0]=4 605 B13R0.54 CCCCCCCCOCCC(=O)O MCULE-1079344518 [0,2,0,0,0,0|2,0,0]=4 606 B13R0.54 CCCCCCCCSCCC(=O)N MCULE-3514095129 [0,2,0,0,0,0|2,0,0]=4 607 B13R0.54 CCCCCCCCSCCC(=O)O MCULE-4405987007 [0,2,0,0,0,0|2,0,0]=4 608 B13R0.54 CCCCCCCCSCCC(=O)[O-] MCULE-2242790491 [0,2,0,0,0,0|2,0,0]=4 609 B13R0.54 CCCCCNCCCCCC(=O)O MCULE-7344928222 [0,2,0,0,0,0|2,0,0]=4 610 B13R0.54 CCCCSCCCCCCC(=O)O MCULE-8131072528 [0,2,0,0,0,0|2,0,0]=4 611 B13R0.54 NC(=O)CCCCCCCCCCBr MCULE-6636357331 [0,2,0,0,0,0|1,0,1]=4 612 B13R0.54 NCCCCCCCCCCC(=O)O MCULE-1751028538 [0,2,0,0,0,0|1,0,1]=4 613 B13R0.54 NCCCCCCCCCCC(=O)[O-] MCULE-8171823933 [0,2,0,0,0,0|1,0,1]=4 614 B13R0.54 O=C(Cl)CCCCCCCCCCBr MCULE-9607447068 [0,2,0,0,0,0|1,0,1]=4 615 B13R0.54 O=C(O)CCCCCCC/C=C/CO MCULE-9542952039 [0,2,0,0,0,0|1,0,1]=4 616 B13R0.54 O=C(O)CCCCCCCCCCBr MCULE-9911407009 [0,2,0,0,0,0|1,0,1]=4 617 B13R0.54 O=C(O)CCCCCCCCCCCl MCULE-7412307649 [0,2,0,0,0,0|1,0,1]=4 618 B13R0.54 O=C(O)CCCCCCCCCCO MCULE-8232897652 [0,2,0,0,0,0|0,0,1]=3 619 B13R0.54 O=C(O)CCCCCCCCCCS MCULE-9528951895 [0,2,0,0,0,0|0,1,1]=4 620 B13R0.54 O=C(O)CCCCCCCCCOO MCULE-9572784167 [0,2,0,0,0,0|1,0,0]=3 621 B13R0.54 O=N(=O)CCCCCCCCCCO MCULE-1367838470 [0,2,0,0,0,0|1,0,1]=4 622 B13R0.147 C=CC(=O)OCCCCCCCCC MCULE-7661811427 [0,2,0,0,0,0|1,0,1]=4 623 B13R0.147 C=CCCCCCCCCC(=O)NN MCULE-1975489838 [0,2,0,0,0,0|0,0,2]=4 624 B13R0.147 C=CCCCCCCCCC(=O)NO MCULE-4384177401 [0,2,0,0,0,0|0,0,1]=3 625 B13R0.147 C=CCCCCCCCCC(=O)OC MCULE-5551120975 [0,2,0,0,0,0|0,0,1]=3 626 B13R0.147 CCCCCCCCCCC(=N)NO MCULE-8351830126 [0,2,0,0,0,0|2,0,0]=4 627 B13R0.147 CCCCCCCCCCC(=O)NN MCULE-5566881162 [0,2,0,0,0,0|2,0,0]=4 628 B13R0.147 CCCCCCCCCCC(=O)OC MCULE-4524637821 [0,2,0,0,0,0|1,0,1]=4 629 B13R0.147 CCCCCCCCCCC(C)C=O MCULE-1597303567 [0,2,0,0,0,0|1,0,1]=4 630 B13R0.147 CCCCCCCCCCC(C)CO MCULE-5502474074 [0,2,0,0,0,0|0,0,2]=4 631 B13R0.147 CCCCCCCCCCC(O)CN MCULE-5193471557 [0,2,0,0,0,0|0,0,2]=4 632 B13R0.147 CCCCCCCCCCC(O)CO MCULE-2615675340 [0,2,0,0,0,0|0,0,2]=4 633 B13R0.147 CCCCCCCCCCC([NH3+])CO MCULE-5249425084 [0,2,0,0,0,0|0,0,2]=4 634 B13R0.147 CCCCCCCCCCC([NH3+])CO MCULE-6389413958 [0,2,0,0,0,0|0,0,2]=4 635 B13R0.147 CCCCCCCCCC[C@@H](O)CO MCULE-6042369532 [0,2,0,0,0,0|0,0,2]=4 636 B13R0.147 CCCCCCCCCC[C@H](O)CO MCULE-1604714068 [0,2,0,0,0,0|0,0,2]=4 637 B13R0.147 CCCCCCCCOCC(O)CO MCULE-3516482068 [0,2,0,0,0,0|0,0,2]=4 638 B13R0.147 COC(=O)CCCCCCCCC=O MCULE-9755822433 [0,2,0,0,0,0|1,0,1]=4 639 B13R0.147 COC(=O)CCCCCCCCCBr MCULE-4125973468 [0,2,0,0,0,0|1,0,1]=4 640 B13R0.147 COC(=O)CCCCCCCCCN MCULE-2996113147 [0,2,0,0,0,0|1,0,1]=4 641 B13R0.147 COC(=O)CCCCCCCCCN MCULE-5692626711 [0,2,0,0,0,0|1,0,1]=4 642 B13R0.147 COC(=O)CCCCCCCCCO MCULE-2254055588 [0,2,0,0,0,0|0,0,1]=3 643 B13R0.336 C#CCCCCCCCCCCCO MCULE-9314358664 [0,2,0,0,0,0|0,0,2]=4 644 B13R0.336 C=CCCCC=CCNCCCCC MCULE-7084444487 [0,2,0,0,0,0|1,0,1]=4 645 B13R0.336 C=CCCCCCCCCCCC=C MCULE-5370372946 [0,2,0,0,0,0|1,0,0]=3 646 B13R0.336 C=CCCCCCCCCCCCBr MCULE-3110147791 [0,2,0,0,0,0|1,0,0]=3 647 B13R0.336 C=CCCCCCCCCCCCC MCULE-5148675782 [0,2,0,0,0,0|1,0,0]=3 648 B13R0.336 C=CCCCCCCCCCCCO MCULE-6006083957 [0,2,0,0,0,0|0,0,0]=2 649 B13R0.336 C=CCOCCOCCOCCOC MCULE-9864048714 [0,2,0,0,0,0|2,0,0]=4 650 B13R0.336 C=CCSCCCCCCCCCC MCULE-6078028682 [0,2,0,0,0,0|1,0,0]=3 651 B13R0.336 CCCCCCCCCCC=CC#N MCULE-5311798650 [0,2,0,0,0,0|1,0,0]=3 652 B13R0.336 CCCCCCCCCCC=CCO MCULE-7248316175 [0,2,0,0,0,0|1,0,0]=3 653 B13R0.336 CCCCCCCCCCCCC=O MCULE-6267230462 [0,2,0,0,0,0|1,0,1]=4 654 B13R0.336 CCCCCCCCCCCCCO MCULE-4385103550 [0,2,0,0,0,0|0,0,2]=4 655 B13R0.336 CCCCCCCCCCCCON MCULE-8050164267 [0,2,0,0,0,0|0,0,2]=4 656 B13R0.336 CCCCCCCCCCNCCO MCULE-6579629969 [0,2,0,0,0,0|0,0,2]=4 657 B13R0.336 CCCCCCCCCCOCCO MCULE-4975665756 [0,2,0,0,0,0|0,0,2]=4 658 B13R0.336 CCCCCCCCCCSCCO MCULE-4627647142 [0,2,0,0,0,0|0,0,2]=4 659 B13R0.336 CCCCCCCSCCOCCO MCULE-9037054254 [0,2,0,0,0,0|0,0,2]=4 660 B13R0.336 N#N=NCCCCCCCCCCO MCULE-1106977345 [0,2,0,0,0,0|1,0,1]=4 661 B13R0.336 NCCCCCCCCCCCCO MCULE-2914976551 [0,2,0,0,0,0|0,0,2]=4 662 B13R0.336 O=CCCCCCCCCCCC=O MCULE-9426216050 [0,2,0,0,0,0|0,0,2]=4 663 B13R0.336 O=CCCCCCCCCCCCBr MCULE-4256275371 [0,2,0,0,0,0|1,0,1]=4 664 B13R0.336 OCCCCCCCCCCCCBr MCULE-1748500310 [0,2,0,0,0,0|0,0,2]=4 665 B13R0.336 OCCCCCCCCCCCCO MCULE-7189041510 [0,2,0,0,0,0|0,0,2]=4 666 B13R0.336 OCCCCCOCCCCCCCl MCULE-1987336489 [0,2,0,0,0,0|0,0,2]=4 667 B13R0.336 OCCCOCCCCOCCCO MCULE-1805983983 [0,2,0,0,0,0|1,0,1]=4 668 B13R0.336 OCCOCCOCCCCCCCl MCULE-2876331315 [0,2,0,0,0,0|1,0,1]=4 669 B13R0.336 OCCSCCCCCCSCCO MCULE-6539293807 [0,2,0,0,0,0|1,0,1]=4 670 B13R0.1 CCCCCCC(O)CCCC(=O)O MCULE-1012275180 [0,2,0,0,0,0|2,0,0]=4 671 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] MCULE-5105119706 [0,2,0,0,0,0|2,0,0]=4 672 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] MCULE-6637797878 [0,2,0,0,0,0|2,0,0]=4 673 B13R0.150 CCCCCCCCCC(C)C(=O)O MCULE-6924124828 [0,2,0,0,0,0|2,0,0]=4 674 B13R0.150 CCCCCCCCCC(N)C(=O)O MCULE-2123708638 [0,2,0,0,0,0|2,0,0]=4 675 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O MCULE-7136532768 [0,2,0,0,0,0|2,0,0]=4 676 B13R0.150 N[C@@H](CCCCNCCCO)C(=O)O MCULE-1769705869 [0,2,0,0,0,0|2,0,0]=4 677 B13R0.150 [C@H](N)(CCCCCCCCC)C(=O)O MCULE-9801560462 [0,2,0,0,0,0|2,0,0]=4 678 B13R0.179 CC(=O)CCCCCCCCC(=O)O MCULE-3207729356 [0,2,0,0,0,0|0,0,2]=4 679 B13R0.179 CC(C)CCCCCCCCC(=O)O MCULE-3966843726 [0,2,0,0,0,0|2,0,0]=4 680 B13R0.179 CC(N)CCCCCCCCC(=O)O MCULE-2236874517 [0,2,0,0,0,0|2,0,0]=4 681 B13R0.179 NC(=O)CCCCCCCCC(=O)O MCULE-3812988206 [0,2,0,0,0,0|1,0,1]=4 682 B13R0.179 O=C(O)CCCCCCCCC(=O)O MCULE-3460494679 [0,2,0,0,0,0|1,0,1]=4 683 B13R0.202 CCC(C)CCCCCCCC(=O)O MCULE-1986520602 [0,2,0,0,0,0|2,0,0]=4 684 B13R0.201 OCC(O)CCCCCCC(O)CO MCULE-6862654960 [0,2,0,0,0,0|1,0,1]=4 685 B13R0.412 CCCCCCCCCC(C=O)CC MCULE-6879865212 [0,2,0,0,0,0|2,0,0]=4 686 B13R0.412 CCCCCCCCCC(CC)CO MCULE-4844751733 [0,2,0,0,0,0|0,0,2]=4 687 B13R0.412 CCCCCCCCCC(CO)CO MCULE-2139434580 [0,2,0,0,0,0|0,0,2]=4 688 B11R1.4 BrCCCCCC1OCCO1 MCULE-8481039787 [1,0,0,1,0,0|2,0,0]=4 689 B11R1.4 C=CCCCOC1CCNC1 MCULE-2687903970 [1,0,0,1,0,0|2,0,0]=4 690 B11R1.4 C=CCCCOC1CCNC1 MCULE-5714171659 [1,0,0,1,0,0|2,0,0]=4 691 B11R1.4 C=CCCNCC1CCCO1 MCULE-7403108950 [1,0,0,1,0,0|1,0,0]=3 692 B11R1.4 CCCCCCC1OCCO1 MCULE-4454812568 [1,0,0,1,0,0|1,0,1]=4 693 B11R1.4 NCCCNCC1CCCO1 MCULE-7637846270 [1,0,0,1,0,0|2,0,0]=4 694 B11R1.4 NCCCOCC1CCCO1 MCULE-5647840349 [1,0,0,1,0,0|2,0,0]=4 695 B11R1.4 OCCCCCN1CCCC1 MCULE-6150953693 [1,0,0,1,0,0|1,0,1]=4 696 B11R1.4 OCCCCOC1CCCO1 MCULE-9804845572 [1,0,0,1,0,0|2,0,0]=4 697 B11R1.4 OCCCNCC1CCCC1 MCULE-4801540502 [1,0,0,1,0,0|1,0,1]=4 698 B11R1.4 OCCCOCC1CCCC1 MCULE-4073733141 [1,0,0,1,0,0|1,0,1]=4 699 B11R1.5 CCCC1CCCCNC1=O MCULE-1989909498 [1,0,0,1,0,0|2,0,0]=4 700 B11R1.5 O=C1CCCCCN1CCO MCULE-2748237095 [1,0,0,1,0,0|2,0,0]=4 701 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1O MCULE-9735733156 [1,0,0,1,0,0|1,0,0]=3 702 B11R1.17 C=CCN[C@H]1CCCC[C@@H]1O MCULE-7288532879 [1,0,0,1,0,0|1,0,0]=3 703 B11R1.17 CCCCC1CCCCC1O MCULE-7002165342 [1,0,0,1,0,0|0,0,1]=3 704 B11R1.17 CCCNC1CCCCC1O MCULE-8368765892 [1,0,0,1,0,0|1,0,1]=4 705 B11R1.17 CCCN[C@@H]1CCCC[C@H]1O MCULE-3339453217 [1,0,0,1,0,0|1,0,1]=4 706 B11R1.17 CCCN[C@@H]1CCCC[C@H]1O MCULE-8427110995 [1,0,0,1,0,0|1,0,1]=4 707 B11R1.17 NCCCC1CCCCC1O MCULE-4985421129 [1,0,0,1,0,0|1,0,0]=3 708 B11R1.17 O=C1CCCCC1CCCO MCULE-6491492717 [1,0,0,1,0,0|1,0,0]=3 709 B11R1.17 O=C1CCCCN1CCCO MCULE-3358401474 [1,0,0,1,0,0|2,0,0]=4 710 B11R1.18 NCC1CCCN1CCCO MCULE-2056569561 [1,0,0,1,0,0|2,0,0]=4 711 B11R1.18 NCCCN1CCCC1CO MCULE-3712610306 [1,0,0,1,0,0|2,0,0]=4 712 B11R1.28 BrCCCCC1CCCCC1 MCULE-1688175311 [1,0,0,1,0,0|1,0,1]=4 713 B11R1.28 BrCCCOC1CCCCO1 MCULE-7678802743 [1,0,0,1,0,0|2,0,0]=4 714 B11R1.28 BrCCOCC1CCCCO1 MCULE-3841203039 [1,0,0,1,0,0|2,0,0]=4 715 B11R1.28 C=CCCCC1CCCCC1 MCULE-7312271164 [1,0,0,1,0,0|0,0,0]=2 716 B11R1.28 C=CCCCC1OCCCO1 MCULE-1837699899 [1,0,0,1,0,0|1,0,0]=3 717 B11R1.28 C=CCCOC1CCCCC1 MCULE-8490111049 [1,0,0,1,0,0|1,0,0]=3 718 B11R1.28 C=CCNCC1CCCCC1 MCULE-2828762425 [1,0,0,1,0,0|1,0,0]=3 719 B11R1.28 C=CCOCC1CCCNC1 MCULE-1368763746 [1,0,0,1,0,0|2,0,0]=4 720 B11R1.28 C=CCOCC1CCCNC1 MCULE-4346971641 [1,0,0,1,0,0|2,0,0]=4 721 B11R1.28 C=CCOCC1CCNCC1 MCULE-7608824055 [1,0,0,1,0,0|2,0,0]=4 722 B11R1.28 C=CCOCC1CCNCC1 MCULE-8864254888 [1,0,0,1,0,0|2,0,0]=4 723 B11R1.28 CCCCCC1CCCCC1 MCULE-8832032133 [1,0,0,1,0,0|0,0,2]=4 724 B11R1.28 CCCCCC1CCCCN1 MCULE-4218318893 [1,0,0,1,0,0|1,0,1]=4 725 B11R1.28 CCCCOC1CCCCO1 MCULE-5619472922 [1,0,0,1,0,0|1,0,1]=4 726 B11R1.28 CCCNCC1CCCCO1 MCULE-6602583901 [1,0,0,1,0,0|1,0,1]=4 727 B11R1.28 CNCCCC1CCCCC1 MCULE-9069202916 [1,0,0,1,0,0|1,0,1]=4 728 B11R1.28 ClCCCOC1CCCCO1 MCULE-7832638473 [1,0,0,1,0,0|2,0,0]=4 729 B11R1.28 ICCCCC1CCCCC1 MCULE-6154026120 [1,0,0,1,0,0|1,0,1]=4 730 B11R1.28 NCCCCC1CCCCC1 MCULE-2906458062 [1,0,0,1,0,0|1,0,1]=4 731 B11R1.28 NCCCOC1CCCCO1 MCULE-7642992158 [1,0,0,1,0,0|2,0,0]=4 732 B11R1.28 O=CCCCC1CCCCC1 MCULE-8571570461 [1,0,0,1,0,0|1,0,0]=3 733 B11R1.28 O=CCCOC1CCCCC1 MCULE-4673250182 [1,0,0,1,0,0|2,0,0]=4 734 B11R1.28 O=CCOCC1CCCCC1 MCULE-7612102606 [1,0,0,1,0,0|2,0,0]=4 735 B11R1.28 OCCCCC1=CCCCC1 MCULE-2186207882 [1,0,0,1,0,0|0,0,1]=3 736 B11R1.28 OCCCCC1CCCCC1 MCULE-3644108501 [1,0,0,1,0,0|0,0,1]=3 737 B11R1.28 OCCCCC1CCCCN1 MCULE-3714334346 [1,0,0,1,0,0|1,0,0]=3 738 B11R1.28 OCCCCC1CCCNC1 MCULE-7769059484 [1,0,0,1,0,0|1,0,1]=4 739 B11R1.28 OCCCCC1CCNCC1 MCULE-2492519799 [1,0,0,1,0,0|1,0,1]=4 740 B11R1.28 OCCCCC1CCNCC1 MCULE-9994111075 [1,0,0,1,0,0|1,0,1]=4 741 B11R1.28 OCCCCN1CCCCC1 MCULE-7640069933 [1,0,0,1,0,0|1,0,1]=4 742 B11R1.28 OCCCCN1CCCCC1 MCULE-9734250002 [1,0,0,1,0,0|1,0,1]=4 743 B11R1.28 OCCCNC1CCCCC1 MCULE-4167772942 [1,0,0,1,0,0|1,0,1]=4 744 B11R1.28 OCCCOC1CCCCC1 MCULE-3209317348 [1,0,0,1,0,0|1,0,1]=4 745 B11R1.28 OCCNCC1CCCCC1 MCULE-1393340274 [1,0,0,1,0,0|1,0,1]=4 746 B11R1.28 OCCNCC1CCCCC1 MCULE-7217857602 [1,0,0,1,0,0|1,0,1]=4 747 B11R1.41 CCC1CCCCN1CCO MCULE-3619810201 [1,0,0,1,0,0|1,0,1]=4 748 B11R1.41 CCCC1CCCCC1CN MCULE-8861688157 [1,0,0,1,0,0|1,0,1]=4 749 B11R1.41 CCN1CCCCC1CCO MCULE-6546654545 [1,0,0,1,0,0|1,0,1]=4 750 B11R1.41 NCC1CCCCN1CCO MCULE-6689295076 [1,0,0,1,0,0|2,0,0]=4 751 B11R1.41 NCCN1CCCCC1CO MCULE-6609378375 [1,0,0,1,0,0|2,0,0]=4 752 B11R1.51 CCN1CCCCCC1CO MCULE-9392450597 [1,0,0,1,0,0|1,0,1]=4 753 B11R1.92 C1CCCCCCCCCC1 MCULE-6783863454 [1,0,0,1,0,0|0,0,2]=4 754 B11R1.92 C1CCCCCNCCCC1 MCULE-1671621328 [1,0,0,1,0,0|1,0,1]=4 755 B11R1.99 C=CCCCCCCC1CO1 MCULE-7968068959 [1,0,0,1,0,0|0,0,0]=2 756 B11R1.99 CCCCCCCCC1CO1 MCULE-5254067206 [1,0,0,1,0,0|0,0,1]=3 757 B11R1.99 CCCCCCCC[C@@H]1CO1 MCULE-1956936475 [1,0,0,1,0,0|0,0,1]=3 758 B11R1.99 CCCCCCOCC1CO1 MCULE-4928959956 [1,0,0,1,0,0|1,0,1]=4 759 B11R1.99 CCCCCCOC[C@H]1CO1 MCULE-7895281836 [1,0,0,1,0,0|1,0,1]=4 760 B11R1.101 NC1CCCCCCCCC1 MCULE-7140828852 [1,0,0,1,0,0|1,0,1]=4 761 B11R1.101 NC1CCCCCCCCC1 MCULE-9762725860 [1,0,0,1,0,0|1,0,1]=4 762 B11R1.101 O=C1CCCCCCCCC1 MCULE-7431354983 [1,0,0,1,0,0|1,0,0]=3 763 B11R1.101 O=C1CCCCCCCCN1 MCULE-4805310836 [1,0,0,1,0,0|2,0,0]=4 764 B11R1.117 C=CCC1CCCCCCC1 MCULE-5863038923 [1,0,0,1,0,0|0,0,0]=2 765 B11R1.117 CNCC1CCCCCCC1 MCULE-3882363434 [1,0,0,1,0,0|1,0,1]=4 766 B11R1.117 NCCC1CCCCCCC1 MCULE-5038195827 [1,0,0,1,0,0|1,0,1]=4 767 B11R1.117 NCCC1CCCCCCC1 MCULE-9743664308 [1,0,0,1,0,0|1,0,1]=4 768 B11R1.180 CCCCCC1CCCC1=O MCULE-7048040111 [1,0,0,1,0,0|1,0,0]=3 769 B11R1.180 CCCCCC1CCCC1O MCULE-7690407093 [1,0,0,1,0,0|0,0,1]=3 770 B11R1.180 CCCCCN1CCCC1=O MCULE-7791437264 [1,0,0,1,0,0|2,0,0]=4 771 B11R1.203 O=CCCC1CCCCCC1 MCULE-5898493972 [1,0,0,1,0,0|1,0,0]=3 772 B11R1.203 OCCCN1CCCCCC1 MCULE-4520769761 [1,0,0,1,0,0|1,0,1]=4 773 B11R1.203 OCCCN1CCCCCC1 MCULE-4937889727 [1,0,0,1,0,0|1,0,1]=4 774 B11R1.203 OCCNC1CCCCCC1 MCULE-9807195475 [1,0,0,1,0,0|1,0,1]=4 775 B11R1.203 OCCOC1CCCCCC1 MCULE-7377327373 [1,0,0,1,0,0|1,0,1]=4 776 B13R1.6 CCCCCCC1CCCC(=O)O1 MCULE-7844383556 [0,1,0,1,0,0|2,0,0]=4 777 B13R1.279 C=C1CCCCCCCCCCC1 MCULE-1393925319 [0,1,0,1,0,0|1,0,0]=3 778 B13R1.279 O=C1CCCCCCCCCCC1 MCULE-8431279332 [0,1,0,1,0,0|1,0,1]=4 779 B13R1.279 O=C1CCCCCCCCCCN1 MCULE-7739147292 [0,1,0,1,0,0|1,0,1]=4 780 B13R1.279 O=C1CCCCCCCCCCO1 MCULE-5646678690 [0,1,0,1,0,0|0,0,1]=3 781 B13R1.279 OC1CCCCCCCCCCC1 MCULE-4246723921 [0,1,0,1,0,0|0,0,2]=4 782 B13R1.654 CCCCCCCC1CCCC1=O MCULE-6699941490 [0,1,0,1,0,0|1,0,1]=4 783 B13R1.654 NCCCCCCN1CCCC1=O MCULE-3326150174 [0,1,0,1,0,0|2,0,0]=4 784 B13R1.28 BrCCCCCOC1CCCCO1 MCULE-1216078911 [0,1,0,1,0,0|1,0,1]=4 785 B13R1.28 C=CCCCOCC1CCCNC1 MCULE-1388192137 [0,1,0,1,0,0|2,0,0]=4 786 B13R1.28 C=CCCCOCC1CCCNC1 MCULE-2475035835 [0,1,0,1,0,0|2,0,0]=4 787 B13R1.28 C=CCCCOCC1CCNCC1 MCULE-2419701468 [0,1,0,1,0,0|2,0,0]=4 788 B13R1.28 C=CCCCOCC1CCNCC1 MCULE-9126072209 [0,1,0,1,0,0|2,0,0]=4 789 B13R1.28 C=CCOCCOC1CCCCO1 MCULE-6194626759 [0,1,0,1,0,0|1,0,0]=3 790 B13R1.28 OCCCCCCN1CCCCC1 MCULE-2495960726 [0,1,0,1,0,0|0,0,2]=4 791 B13R1.28 OCCCOCCC1CCCCC1 MCULE-7506426792 [0,1,0,1,0,0|0,0,2]=4 792 B13R1.28 OCCNCCCC1CCCCC1 MCULE-8626697968 [0,1,0,1,0,0|0,0,2]=4 793 B13R1.137 CCCCCCC1CCCC1=NO MCULE-2071942896 [0,1,0,1,0,0|2,0,0]=4 794 B13R1.555 CCCCCCC1CCCCC1=O MCULE-7562924636 [0,1,0,1,0,0|1,0,1]=4 795 B13R1.623 COC1=NCCCCCCCCC1 MCULE-8082869157 [0,1,0,1,0,0|1,0,1]=4 796 B13R1.659 CCCCCCCCCCC1CO1 MCULE-4819613479 [0,1,0,1,0,0|0,0,2]=4 797 B13R1.659 CCCCCCCCCC[C@@H]1CO1 MCULE-4884564986 [0,1,0,1,0,0|0,0,2]=4 798 B13R1.659 CCCCCCCCOCC1CO1 MCULE-8564069898 [0,1,0,1,0,0|0,0,2]=4 799 B13R1.27 CCCCCCCC1CCC(=O)O1 MCULE-9018416843 [0,1,0,1,0,0|2,0,0]=4 800 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 MCULE-5815442718 [0,1,0,1,0,0|2,0,0]=4 801 B13R1.337 C=C(C)CCCCC1CCCCC1 MCULE-8165088148 [0,1,0,1,0,0|1,0,0]=3 802 B13R1.337 C=C(C)COCCC1CCCCN1 MCULE-2155064930 [0,1,0,1,0,0|2,0,0]=4 803 B13R1.337 C=C(C)COCCC1CCCCN1 MCULE-4676125528 [0,1,0,1,0,0|2,0,0]=4 804 B13R1.337 O=C(O)CCCCC1CCCCC1 MCULE-8624525968 [0,1,0,1,0,0|2,0,0]=4 805 B13R1.337 O=C(O)CCCOC1CCCCO1 MCULE-8336941826 [0,1,0,1,0,0|2,0,0]=4 806 B13R1.1988 C=C(C)CCCC1CCCCCC1 MCULE-6488235518 [0,1,0,1,0,0|1,0,0]=3 807 B13R2.3 C1CCC(OC1)C2CCCNC2 MCULE-2550903035 [0,0,0,2,0,0|1,0,1]=4 808 B13R2.3 C1CCC(OC1)C2CCCNC2 MCULE-6030551422 [0,0,0,2,0,0|1,0,1]=4 809 B13R2.14 O=C1CCCCC12CCCCC2 MCULE-9031710972 [0,0,0,2,0,0|2,0,0]=4 810 B13R2.15 OC1CCCC1C2CCCCN2 MCULE-4360153849 [0,0,0,2,0,0|1,0,1]=4 811 B13R2.64 C1CNCC(C1)CC2CCCO2 MCULE-4066101683 [0,0,0,2,0,0|1,0,1]=4 812 B13R2.208 O=C1CCCCCC12CCCC2 MCULE-8639165491 [0,0,0,2,0,0|2,0,0]=4 813 B13R2.18 O=C1CCCCC1C2CCCN2 MCULE-7054451001 [0,0,0,2,0,0|2,0,0]=4 814 B13R2.18 O=C1CCCCC1C2CCCO2 MCULE-8833551403 [0,0,0,2,0,0|1,0,0]=3 815 B13R2.2520 OCCNCC1CC2C=CC1C2 MCULE-6359735967 [0,0,0,2,0,0|1,0,0]=3 816 B13R2.2520 OCCNCC1CC2C=CC1C2 MCULE-8563109344 [0,0,0,2,0,0|1,0,0]=3 817 B13R2.571 C=CC1CN2CCC1CC2CO MCULE-8459525940 [0,0,0,2,0,0|1,0,0]=3 818 B13R2.571 C=C[C@@H]1CN2CCC1C[C@H]2CO MCULE-2865758188 [0,0,0,2,0,0|1,0,0]=3 819 B13R2.571 C=C[C@H]1CN2CCC1C[C@@H]2CO MCULE-4310121897 [0,0,0,2,0,0|1,0,0]=3 820 B13R2.571 [C@@H]12CCN(C[C@@H]1C=C)[C@H](C2)CO MCULE-6409116260 [0,0,0,2,0,0|1,0,0]=3 821 B13R2.571 [C@@H]12CCN(C[C@H]1C=C)[C@@H](C2)CO MCULE-7417571935 [0,0,0,2,0,0|1,0,0]=3 822 B13R2.369 O=C1CC2CCCCC2CC1Br MCULE-1955855679 [0,0,0,2,0,0|2,0,0]=4 823 B13R2.369 O[C@H]1CC2CCCCC2C[C@H]1Br MCULE-9894243413 [0,0,0,2,0,0|1,0,1]=4 824 B13R2.2290 C(CCC[C@@H]1CO1)CC[C@H]2CO2 MCULE-8850846348 [0,0,0,2,0,0|1,0,1]=4