0 B12R0.5 BrCCCCCCCCCCCBr MCULE-7714737833 [0,0,0,0,0,0|2,0,1]=3 1 B12R0.5 C#CCCCCCCCCCCC MCULE-4966581415 [0,0,0,0,0,0|1,0,1]=2 2 B12R0.5 C#CCCCCCCCCCCO MCULE-3338769733 [0,0,0,0,0,0|2,0,1]=3 3 B12R0.5 C#CCOCCCCCCCCO MCULE-9833842442 [0,0,0,0,0,0|3,0,1]=4 4 B12R0.5 C=CCCCC=CCNCCCC MCULE-3142484929 [0,0,0,0,0,0|2,0,2]=4 5 B12R0.5 C=CCCCCCCCCCC#N MCULE-4908683971 [0,0,0,0,0,0|2,0,1]=3 6 B12R0.5 C=CCCCCCCCCCC=C MCULE-6862008178 [0,0,0,0,0,0|1,0,2]=3 7 B12R0.5 C=CCCCCCCCCCC=O MCULE-4798960934 [0,0,0,0,0,0|0,0,2]=2 8 B12R0.5 C=CCCCCCCCCCCBr MCULE-1450832602 [0,0,0,0,0,0|2,0,0]=2 9 B12R0.5 C=CCCCCCCCCCCC MCULE-7790972998 [0,0,0,0,0,0|1,0,0]=1 10 B12R0.5 C=CCCCCCCCCCCO MCULE-9436785815 [0,0,0,0,0,0|2,0,0]=2 11 B12R0.5 C=CCOCCCCCCCCO MCULE-5655873802 [0,0,0,0,0,0|3,0,0]=3 12 B12R0.5 C=COCCCCCCCCCC MCULE-9853638067 [0,0,0,0,0,0|2,0,0]=2 13 B12R0.5 C=CSCCCCCCCCCC MCULE-4125685210 [0,0,0,0,0,0|2,0,0]=2 14 B12R0.5 CC/C=C\CCCCCCCCO MCULE-3025560116 [0,0,0,0,0,0|0,0,4]=4 15 B12R0.5 CCC#CCCCCCCCCO MCULE-9432389600 [0,0,0,0,0,0|0,0,4]=4 16 B12R0.5 CCC/C=C\CCCCCCCO MCULE-1596799446 [0,0,0,0,0,0|0,0,4]=4 17 B12R0.5 CCC=CCCCCCCCCO MCULE-1639369196 [0,0,0,0,0,0|0,0,4]=4 18 B12R0.5 CCCC/C=C/CCCCCCO MCULE-1140179766 [0,0,0,0,0,0|0,0,4]=4 19 B12R0.5 CCCC/C=C\CCCCCCO MCULE-5650770931 [0,0,0,0,0,0|0,0,4]=4 20 B12R0.5 CCCC=CCCCCCCCO MCULE-6437929263 [0,0,0,0,0,0|0,0,4]=4 21 B12R0.5 CCCCC#CCCCCCCO MCULE-8221472970 [0,0,0,0,0,0|0,0,4]=4 22 B12R0.5 CCCCC=CCCCCCCO MCULE-6634191602 [0,0,0,0,0,0|0,0,4]=4 23 B12R0.5 CCCCCCC/C=C/C=C/C=O MCULE-2842287177 [0,0,0,0,0,0|0,0,4]=4 24 B12R0.5 CCCCCCCC=CC=CC=O MCULE-2297529084 [0,0,0,0,0,0|0,0,4]=4 25 B12R0.5 CCCCCCCCC/C=C/C=O MCULE-3924650225 [0,0,0,0,0,0|0,0,2]=2 26 B12R0.5 CCCCCCCCC/C=C/CO MCULE-8437286382 [0,0,0,0,0,0|0,0,4]=4 27 B12R0.5 CCCCCCCCC=CCCO MCULE-1965044026 [0,0,0,0,0,0|0,0,4]=4 28 B12R0.5 CCCCCCCCCC#CCO MCULE-3667812839 [0,0,0,0,0,0|0,0,4]=4 29 B12R0.5 CCCCCCCCCC/C=C/I MCULE-7924200766 [0,0,0,0,0,0|1,0,1]=2 30 B12R0.5 CCCCCCCCCC=CC=O MCULE-6984246846 [0,0,0,0,0,0|0,0,2]=2 31 B12R0.5 CCCCCCCCCC=CCO MCULE-9263380318 [0,0,0,0,0,0|0,0,4]=4 32 B12R0.5 CCCCCCCCCCCC#N MCULE-4898299264 [0,0,0,0,0,0|1,0,1]=2 33 B12R0.5 CCCCCCCCCCCC=O MCULE-3814557174 [0,0,0,0,0,0|0,0,0]=0 34 B12R0.5 CCCCCCCCCCCCBr MCULE-2442495006 [0,0,0,0,0,0|1,0,1]=2 35 B12R0.5 CCCCCCCCCCCCC MCULE-7749861366 [0,0,0,0,0,0|1,0,1]=2 36 B12R0.5 CCCCCCCCCCCCCl MCULE-6025385532 [0,0,0,0,0,0|1,0,1]=2 37 B12R0.5 CCCCCCCCCCCCF MCULE-3563531940 [0,0,0,0,0,0|1,0,1]=2 38 B12R0.5 CCCCCCCCCCCCI MCULE-6449418786 [0,0,0,0,0,0|1,0,1]=2 39 B12R0.5 CCCCCCCCCCCCN MCULE-1282419209 [0,0,0,0,0,0|1,0,1]=2 40 B12R0.5 CCCCCCCCCCCCN MCULE-1312431857 [0,0,0,0,0,0|1,0,1]=2 41 B12R0.5 CCCCCCCCCCCCN MCULE-3936839656 [0,0,0,0,0,0|1,0,1]=2 42 B12R0.5 CCCCCCCCCCCCN MCULE-8497998841 [0,0,0,0,0,0|1,0,1]=2 43 B12R0.5 CCCCCCCCCCCCN MCULE-9101484482 [0,0,0,0,0,0|1,0,1]=2 44 B12R0.5 CCCCCCCCCCCCO MCULE-3423087499 [0,0,0,0,0,0|0,0,2]=2 45 B12R0.5 CCCCCCCCCCCCO MCULE-9381688904 [0,0,0,0,0,0|0,0,2]=2 46 B12R0.5 CCCCCCCCCCCCS MCULE-8388213802 [0,0,0,0,0,0|0,1,1]=2 47 B12R0.5 CCCCCCCCCCCNC MCULE-4232799137 [0,0,0,0,0,0|2,0,0]=2 48 B12R0.5 CCCCCCCCCCCNC MCULE-9324463288 [0,0,0,0,0,0|2,0,0]=2 49 B12R0.5 CCCCCCCCCCN=C=S MCULE-4799395674 [0,0,0,0,0,0|1,1,1]=3 50 B12R0.5 CCCCCCCCCCN=N#N MCULE-3752897707 [0,0,0,0,0,0|3,0,0]=3 51 B12R0.5 CCCCCCCCCCNC=O MCULE-2199641461 [0,0,0,0,0,0|1,0,0]=1 52 B12R0.5 CCCCCCCCCCSC#N MCULE-1909270846 [0,0,0,0,0,0|2,0,1]=3 53 B12R0.5 CCCCCCCCCCSCC MCULE-4046728399 [0,0,0,0,0,0|2,0,1]=3 54 B12R0.5 CCCCCCCCCSCCO MCULE-1890346670 [0,0,0,0,0,0|1,0,2]=3 55 B12R0.5 CCCCCCCCNCCC#N MCULE-1909140913 [0,0,0,0,0,0|2,0,1]=3 56 B12R0.5 CCCCCCCCNCCCC MCULE-6370859761 [0,0,0,0,0,0|2,0,1]=3 57 B12R0.5 CCCCCCCCNCCCN MCULE-1576630780 [0,0,0,0,0,0|2,0,1]=3 58 B12R0.5 CCCCCCCCNCCOC MCULE-9794668613 [0,0,0,0,0,0|3,0,0]=3 59 B12R0.5 CCCCCCCCOCCCN MCULE-3428959730 [0,0,0,0,0,0|2,0,1]=3 60 B12R0.5 CCCCCCCCOCCNC MCULE-3720493532 [0,0,0,0,0,0|3,0,0]=3 61 B12R0.5 CCCCCCCCOCCNC MCULE-6027502699 [0,0,0,0,0,0|3,0,0]=3 62 B12R0.5 CCCCCCCCSCCNC MCULE-1591454214 [0,0,0,0,0,0|3,0,0]=3 63 B12R0.5 CCCCCCCCSCCNC MCULE-9041733565 [0,0,0,0,0,0|3,0,0]=3 64 B12R0.5 CCCCCCCNCCCNC MCULE-3143160534 [0,0,0,0,0,0|3,0,0]=3 65 B12R0.5 CCCCCCCOCCCC=O MCULE-7580382219 [0,0,0,0,0,0|1,0,0]=1 66 B12R0.5 CCCCCCCOCCCCO MCULE-4232162406 [0,0,0,0,0,0|1,0,2]=3 67 B12R0.5 CCCCCCNCCCCCC MCULE-3670409724 [0,0,0,0,0,0|2,0,1]=3 68 B12R0.5 CCCCCCNCCCCCC MCULE-4867029659 [0,0,0,0,0,0|2,0,1]=3 69 B12R0.5 CCCCCCNCCCCCC MCULE-9932038203 [0,0,0,0,0,0|2,0,1]=3 70 B12R0.5 CCCCCCOCCCCCC MCULE-3976538682 [0,0,0,0,0,0|2,0,1]=3 71 B12R0.5 CCCCCCOCCOCCCl MCULE-9978237089 [0,0,0,0,0,0|3,0,1]=4 72 B12R0.5 CCCCCCOCCOCCO MCULE-8195636539 [0,0,0,0,0,0|2,0,2]=4 73 B12R0.5 CCCCCCSCCCCCC MCULE-2928486782 [0,0,0,0,0,0|2,0,1]=3 74 B12R0.5 CCCCCCSCCOCCO MCULE-3415483366 [0,0,0,0,0,0|2,0,2]=4 75 B12R0.5 CCCOCCCCCCCCO MCULE-6159515912 [0,0,0,0,0,0|1,0,2]=3 76 B12R0.5 CCOCCCCCCCCCBr MCULE-4453801533 [0,0,0,0,0,0|2,0,1]=3 77 B12R0.5 CCOCCCCCCCCCO MCULE-6343777651 [0,0,0,0,0,0|1,0,2]=3 78 B12R0.5 ClCCCCCOCCCCCCl MCULE-6237389376 [0,0,0,0,0,0|3,0,1]=4 79 B12R0.5 ICCCCCCCCCCCI MCULE-1394798562 [0,0,0,0,0,0|2,0,1]=3 80 B12R0.5 N#CCCCCCCCCCC#N MCULE-3961185998 [0,0,0,0,0,0|2,0,2]=4 81 B12R0.5 N#N=NCCCCCCCCCN MCULE-3364636937 [0,0,0,0,0,0|4,0,0]=4 82 B12R0.5 N#N=NCCCCCCCCCO MCULE-6954750928 [0,0,0,0,0,0|4,0,0]=4 83 B12R0.5 NCCCCCCCCCCCN MCULE-2996124008 [0,0,0,0,0,0|2,0,1]=3 84 B12R0.5 NCCCCCCCCCCCO MCULE-5135515993 [0,0,0,0,0,0|1,0,2]=3 85 B12R0.5 NCCCCCCCCCCCS MCULE-2278372977 [0,0,0,0,0,0|1,1,1]=3 86 B12R0.5 NCCCCCCCCCCCS MCULE-7023358275 [0,0,0,0,0,0|1,1,1]=3 87 B12R0.5 O=CCCCCCCCCCCBr MCULE-8057974781 [0,0,0,0,0,0|1,0,0]=1 88 B12R0.5 OCCCCCCCCCCCBr MCULE-5881088914 [0,0,0,0,0,0|1,0,2]=3 89 B12R0.5 OCCCCCCCCCCCO MCULE-6987509130 [0,0,0,0,0,0|1,0,2]=3 90 B12R0.5 OCCCCCCCCCCCS MCULE-4791107478 [0,0,0,0,0,0|1,0,2]=3 91 B12R0.5 OCCCCCOCCCCCO MCULE-5243842214 [0,0,0,0,0,0|2,0,2]=4 92 B12R0.5 OCCCCCSCCCCCO MCULE-3316565485 [0,0,0,0,0,0|2,0,2]=4 93 B12R0.5 SCCCCCCCCCCCBr MCULE-7291453493 [0,0,0,0,0,0|1,1,1]=3 94 B12R0.5 [NH2+](CCCC)CCCCCCCC MCULE-9696707679 [0,0,0,0,0,0|2,0,1]=3 95 B11R0.3 BrCCCCCCCCCCBr MCULE-6596890795 [1,0,0,0,0,0|2,0,0]=3 96 B11R0.3 C#CCCCCCCCCCBr MCULE-7590250790 [1,0,0,0,0,0|1,0,2]=4 97 B11R0.3 C#CCCCCCCCCCC MCULE-8413126831 [1,0,0,0,0,0|0,0,2]=3 98 B11R0.3 C#CCCCCCCCCCO MCULE-5387959646 [1,0,0,0,0,0|0,0,3]=4 99 B11R0.3 C=CCCCCCCCCC=C MCULE-6018522624 [1,0,0,0,0,0|0,0,3]=4 100 B11R0.3 C=CCCCCCCCCC=O MCULE-2748563286 [1,0,0,0,0,0|0,0,2]=3 101 B11R0.3 C=CCCCCCCCCCBr MCULE-3292244728 [1,0,0,0,0,0|1,0,1]=3 102 B11R0.3 C=CCCCCCCCCCC MCULE-4843306057 [1,0,0,0,0,0|0,0,1]=2 103 B11R0.3 C=CCCCCCCCCCCl MCULE-9014492464 [1,0,0,0,0,0|1,0,1]=3 104 B11R0.3 C=CCCCCCCCCCN MCULE-7839357621 [1,0,0,0,0,0|1,0,1]=3 105 B11R0.3 C=CCCCCCCCCCO MCULE-8086496729 [1,0,0,0,0,0|1,0,1]=3 106 B11R0.3 C=CCOCCCCCCCC MCULE-6446691340 [1,0,0,0,0,0|1,0,1]=3 107 B11R0.3 CC#CCCCCCCCCO MCULE-5846426924 [1,0,0,0,0,0|0,0,3]=4 108 B11R0.3 CCCC/C=C\CCCCCC MCULE-3573509087 [1,0,0,0,0,0|0,0,3]=4 109 B11R0.3 CCCCC#CCCCCCC MCULE-8000000275 [1,0,0,0,0,0|0,0,3]=4 110 B11R0.3 CCCCC=CCCCCCC MCULE-5218594928 [1,0,0,0,0,0|0,0,3]=4 111 B11R0.3 CCCCCC#CCCCCC MCULE-6744782610 [1,0,0,0,0,0|0,0,3]=4 112 B11R0.3 CCCCCCC=CCCC=O MCULE-4819548256 [1,0,0,0,0,0|0,0,2]=3 113 B11R0.3 CCCCCCCCC=CC=O MCULE-3569381965 [1,0,0,0,0,0|0,0,2]=3 114 B11R0.3 CCCCCCCCC=CCO MCULE-3768375215 [1,0,0,0,0,0|0,0,3]=4 115 B11R0.3 CCCCCCCCCCC#N MCULE-7957242645 [1,0,0,0,0,0|1,0,1]=3 116 B11R0.3 CCCCCCCCCCC=O MCULE-2842613213 [1,0,0,0,0,0|0,0,0]=1 117 B11R0.3 CCCCCCCCCCCBr MCULE-1007413186 [1,0,0,0,0,0|1,0,0]=2 118 B11R0.3 CCCCCCCCCCCC MCULE-3947157412 [1,0,0,0,0,0|0,0,1]=2 119 B11R0.3 CCCCCCCCCCCCl MCULE-9378407763 [1,0,0,0,0,0|1,0,0]=2 120 B11R0.3 CCCCCCCCCCCI MCULE-2947342202 [1,0,0,0,0,0|1,0,0]=2 121 B11R0.3 CCCCCCCCCCCN MCULE-7249870518 [1,0,0,0,0,0|1,0,0]=2 122 B11R0.3 CCCCCCCCCCCO MCULE-9897986150 [1,0,0,0,0,0|0,0,1]=2 123 B11R0.3 CCCCCCCCCCCS MCULE-6868324316 [1,0,0,0,0,0|0,1,0]=2 124 B11R0.3 CCCCCCCCCCNC MCULE-1416369118 [1,0,0,0,0,0|1,0,1]=3 125 B11R0.3 CCCCCCCCCCNC MCULE-6168905746 [1,0,0,0,0,0|1,0,1]=3 126 B11R0.3 CCCCCCCCCCOC MCULE-1264379510 [1,0,0,0,0,0|1,0,1]=3 127 B11R0.3 CCCCCCCCCCON MCULE-2069797576 [1,0,0,0,0,0|2,0,0]=3 128 B11R0.3 CCCCCCCCCCON MCULE-7830749583 [1,0,0,0,0,0|2,0,0]=3 129 B11R0.3 CCCCCCCCCCSC MCULE-7334657081 [1,0,0,0,0,0|1,0,1]=3 130 B11R0.3 CCCCCCCCCN=C=S MCULE-1076001046 [1,0,0,0,0,0|1,1,1]=4 131 B11R0.3 CCCCCCCCCN=N#N MCULE-3134047425 [1,0,0,0,0,0|3,0,0]=4 132 B11R0.3 CCCCCCCCCNCC MCULE-2932168769 [1,0,0,0,0,0|1,0,1]=3 133 B11R0.3 CCCCCCCCCOC=O MCULE-1616501735 [1,0,0,0,0,0|1,0,0]=2 134 B11R0.3 CCCCCCCCCSCC MCULE-6635551100 [1,0,0,0,0,0|1,0,1]=3 135 B11R0.3 CCCCCCCCNCCC MCULE-8531662839 [1,0,0,0,0,0|1,0,1]=3 136 B11R0.3 CCCCCCCCNCCN MCULE-7559905889 [1,0,0,0,0,0|2,0,0]=3 137 B11R0.3 CCCCCCCCNCCO MCULE-7874582103 [1,0,0,0,0,0|1,0,1]=3 138 B11R0.3 CCCCCCCCNOCC MCULE-3650695826 [1,0,0,0,0,0|2,0,1]=4 139 B11R0.3 CCCCCCCCNOCC MCULE-5548504565 [1,0,0,0,0,0|2,0,1]=4 140 B11R0.3 CCCCCCCCOCCCl MCULE-7562352297 [1,0,0,0,0,0|2,0,0]=3 141 B11R0.3 CCCCCCCCOCCN MCULE-8451506183 [1,0,0,0,0,0|2,0,0]=3 142 B11R0.3 CCCCCCCCOCCN MCULE-9814984146 [1,0,0,0,0,0|2,0,0]=3 143 B11R0.3 CCCCCCCCOCCO MCULE-9752110999 [1,0,0,0,0,0|1,0,1]=3 144 B11R0.3 CCCCCCCCSCC#N MCULE-7369043498 [1,0,0,0,0,0|2,0,1]=4 145 B11R0.3 CCCCCCCCSCCN MCULE-5010227243 [1,0,0,0,0,0|2,0,0]=3 146 B11R0.3 CCCCCCCCSCCO MCULE-6587527936 [1,0,0,0,0,0|1,0,1]=3 147 B11R0.3 CCCCCCCCSCCS MCULE-1947094413 [1,0,0,0,0,0|1,1,0]=3 148 B11R0.3 CCCCCCCNCCC#N MCULE-6001009722 [1,0,0,0,0,0|2,0,1]=4 149 B11R0.3 CCCCCCCNCCCC MCULE-4951242533 [1,0,0,0,0,0|1,0,1]=3 150 B11R0.3 CCCCCCCNCCCN MCULE-8536785750 [1,0,0,0,0,0|2,0,0]=3 151 B11R0.3 CCCCCCCNCCCO MCULE-1187615586 [1,0,0,0,0,0|1,0,1]=3 152 B11R0.3 CCCCCCNCCCOC MCULE-6742672078 [1,0,0,0,0,0|2,0,1]=4 153 B11R0.3 CCCCCC[NH2+]CCCCCl MCULE-2636909425 [1,0,0,0,0,0|2,0,0]=3 154 B11R0.3 CCCCCC[NH2+]CCCCCl MCULE-7512641705 [1,0,0,0,0,0|2,0,0]=3 155 B11R0.3 CCCCCSCCOCCO MCULE-1471152415 [1,0,0,0,0,0|2,0,1]=4 156 B11R0.3 CCCCCSSCCCCC MCULE-8624736602 [1,0,0,0,0,0|2,0,1]=4 157 B11R0.3 CCCCNCCNCCCC MCULE-3139037318 [1,0,0,0,0,0|2,0,1]=4 158 B11R0.3 CCCCNCCOCCCC MCULE-4594910638 [1,0,0,0,0,0|2,0,1]=4 159 B11R0.3 CCCCOCCOCCCC MCULE-5261480538 [1,0,0,0,0,0|2,0,1]=4 160 B11R0.3 CCCCSCCSCCCC MCULE-9975798821 [1,0,0,0,0,0|2,0,1]=4 161 B11R0.3 CCNCCCCCCNCC MCULE-1626825133 [1,0,0,0,0,0|2,0,1]=4 162 B11R0.3 CCOCCCCCCCCO MCULE-8839640265 [1,0,0,0,0,0|1,0,1]=3 163 B11R0.3 CCSCCCCCCSCC MCULE-1161288056 [1,0,0,0,0,0|2,0,1]=4 164 B11R0.3 CNCCCCCCCCNC MCULE-2607021323 [1,0,0,0,0,0|2,0,1]=4 165 B11R0.3 COCCCCCCCCC=O MCULE-4530790122 [1,0,0,0,0,0|1,0,0]=2 166 B11R0.3 COCCCCCCCCCBr MCULE-8740247574 [1,0,0,0,0,0|2,0,0]=3 167 B11R0.3 COCCCCCCCCCN MCULE-5428647902 [1,0,0,0,0,0|2,0,0]=3 168 B11R0.3 COCCCCCCCCCO MCULE-5483027656 [1,0,0,0,0,0|1,0,1]=3 169 B11R0.3 COCCCCCCCCOC MCULE-6292448161 [1,0,0,0,0,0|2,0,1]=4 170 B11R0.3 COCCOCCOCCC=O MCULE-7456622874 [1,0,0,0,0,0|3,0,0]=4 171 B11R0.3 ClCCCCCCCCCCCl MCULE-1936281020 [1,0,0,0,0,0|2,0,0]=3 172 B11R0.3 FCCCCCCCCCCBr MCULE-2498226293 [1,0,0,0,0,0|2,0,0]=3 173 B11R0.3 FCCCCCCCCCCCl MCULE-6086093448 [1,0,0,0,0,0|2,0,0]=3 174 B11R0.3 FCCCCCCCCCCF MCULE-7992467849 [1,0,0,0,0,0|2,0,0]=3 175 B11R0.3 ICCCCCCCCCCI MCULE-9838407052 [1,0,0,0,0,0|2,0,0]=3 176 B11R0.3 NCCCCCCCCCCBr MCULE-2910198089 [1,0,0,0,0,0|2,0,0]=3 177 B11R0.3 NCCCCCCCCCCBr MCULE-9466370190 [1,0,0,0,0,0|2,0,0]=3 178 B11R0.3 NCCCCCCCCCCN MCULE-8635244158 [1,0,0,0,0,0|2,0,0]=3 179 B11R0.3 NCCCCCCCCCCO MCULE-6627355175 [1,0,0,0,0,0|1,0,1]=3 180 B11R0.3 NCCCCCCOCCCO MCULE-2806447363 [1,0,0,0,0,0|2,0,1]=4 181 B11R0.3 O=CCCCCCCCCCBr MCULE-3317881097 [1,0,0,0,0,0|1,0,0]=2 182 B11R0.3 OCCCCCCCCCCBr MCULE-9238949531 [1,0,0,0,0,0|1,0,1]=3 183 B11R0.3 OCCCCCCCCCCCl MCULE-7857761317 [1,0,0,0,0,0|1,0,1]=3 184 B11R0.3 OCCCCCCCCCCF MCULE-6916719760 [1,0,0,0,0,0|1,0,1]=3 185 B11R0.3 OCCCCCCCCCCO MCULE-3187467810 [1,0,0,0,0,0|1,0,1]=3 186 B11R0.3 SCCCCCCCCCCS MCULE-7368208629 [1,0,0,0,0,0|1,1,0]=3 187 B11R0.3 [NH2+](CCCC)CCCCCCC MCULE-5696674484 [1,0,0,0,0,0|1,0,1]=3 188 B13R0.2 C=CCCCCCCCC(=O)OCC MCULE-7330309912 [0,1,0,0,0,0|2,0,1]=4 189 B13R0.2 C=COC(=O)CCCCCCCCC MCULE-6857715884 [0,1,0,0,0,0|2,0,1]=4 190 B13R0.2 CCCCCCCCCC(=O)CCC MCULE-7843912102 [0,1,0,0,0,0|1,0,2]=4 191 B13R0.2 CCCCCCCCCC(C)CCBr MCULE-9823733593 [0,1,0,0,0,0|1,0,1]=3 192 B13R0.2 CCCCCCCCCC(O)CCO MCULE-6275560025 [0,1,0,0,0,0|0,0,2]=3 193 B13R0.54 C#CCCCCCCCCCC(=O)O MCULE-3493346393 [0,1,0,0,0,0|0,0,2]=3 194 B13R0.54 C(=CCCCCOC(=O)C)CCCC MCULE-1642216097 [0,1,0,0,0,0|1,0,2]=4 195 B13R0.54 C=C(C)CCCCCCCCCCC MCULE-6486590493 [0,1,0,0,0,0|1,0,0]=2 196 B13R0.54 C=CCCCCCCCCCC(=C)C MCULE-9813642699 [0,1,0,0,0,0|1,0,1]=3 197 B13R0.54 C=CCCCCCCCCCC(=O)C MCULE-5730123957 [0,1,0,0,0,0|0,0,2]=3 198 B13R0.54 C=CCCCCCCCCCC(=O)O MCULE-6330367894 [0,1,0,0,0,0|0,0,2]=3 199 B13R0.54 C=CCCCCCCCCCN(=O)=O MCULE-7314787792 [0,1,0,0,0,0|1,0,2]=4 200 B13R0.54 C=CCCCCCCCCOC(=O)C MCULE-3987813819 [0,1,0,0,0,0|1,0,2]=4 201 B13R0.54 CC(C)CCCCCCCCCCO MCULE-3770739954 [0,1,0,0,0,0|0,0,2]=3 202 B13R0.54 CCCC/C=C\CCCCOC(=O)C MCULE-9938541488 [0,1,0,0,0,0|1,0,2]=4 203 B13R0.54 CCCCCC/C=C\CCCC(=O)O MCULE-9454929405 [0,1,0,0,0,0|0,0,2]=3 204 B13R0.54 CCCCCCC=CCCCC(=O)O MCULE-1299148519 [0,1,0,0,0,0|0,0,2]=3 205 B13R0.54 CCCCCCCC=CCOC(=O)C MCULE-7547263092 [0,1,0,0,0,0|1,0,2]=4 206 B13R0.54 CCCCCCCCC/C=C/C(=O)O MCULE-8068052432 [0,1,0,0,0,0|0,0,2]=3 207 B13R0.54 CCCCCCCCCC=CC(=O)O MCULE-5397880976 [0,1,0,0,0,0|0,0,2]=3 208 B13R0.54 CCCCCCCCCCCC(=N)N MCULE-2355708247 [0,1,0,0,0,0|1,0,0]=2 209 B13R0.54 CCCCCCCCCCCC(=O)C MCULE-9311016763 [0,1,0,0,0,0|0,0,0]=1 210 B13R0.54 CCCCCCCCCCCC(=O)Cl MCULE-9866142193 [0,1,0,0,0,0|0,0,0]=1 211 B13R0.54 CCCCCCCCCCCC(=O)N MCULE-2324074583 [0,1,0,0,0,0|0,0,0]=1 212 B13R0.54 CCCCCCCCCCCC(=O)O MCULE-2795129925 [0,1,0,0,0,0|0,0,0]=1 213 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-4306276668 [0,1,0,0,0,0|0,0,0]=1 214 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-5989799433 [0,1,0,0,0,0|0,0,0]=1 215 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-7873290711 [0,1,0,0,0,0|0,0,0]=1 216 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-8752609733 [0,1,0,0,0,0|0,0,0]=1 217 B13R0.54 CCCCCCCCCCCC(C)N MCULE-3980418920 [0,1,0,0,0,0|1,0,1]=3 218 B13R0.54 CCCCCCCCCCCC(C)O MCULE-3181779723 [0,1,0,0,0,0|0,0,2]=3 219 B13R0.54 CCCCCCCCCCCN(=O)=O MCULE-4760203332 [0,1,0,0,0,0|1,0,0]=2 220 B13R0.54 CCCCCCCCCCCN(C)C MCULE-5478138058 [0,1,0,0,0,0|2,0,0]=3 221 B13R0.54 CCCCCCCCCCNC(=O)N MCULE-8422314743 [0,1,0,0,0,0|1,0,0]=2 222 B13R0.54 CCCCCCCCCCNC(=S)N MCULE-1226316897 [0,1,0,0,0,0|1,1,0]=3 223 B13R0.54 CCCCCCCCCCOC(=O)C MCULE-7452399897 [0,1,0,0,0,0|1,0,0]=2 224 B13R0.54 CCCCCCCCCCOC(=O)Cl MCULE-8601514194 [0,1,0,0,0,0|1,0,0]=2 225 B13R0.54 CCCCCCCCCCOC(=S)[S-] MCULE-8121799109 [0,1,0,0,0,0|1,1,0]=3 226 B13R0.54 CCCCCCCCCCOC(=S)[S-] MCULE-8750716716 [0,1,0,0,0,0|1,1,0]=3 227 B13R0.54 CCCCCCCCOCCC(=O)O MCULE-1079344518 [0,1,0,0,0,0|1,0,0]=2 228 B13R0.54 CCCCCCCCSCCC(=O)N MCULE-3514095129 [0,1,0,0,0,0|1,0,0]=2 229 B13R0.54 CCCCCCCCSCCC(=O)O MCULE-4405987007 [0,1,0,0,0,0|1,0,0]=2 230 B13R0.54 CCCCCCCCSCCC(=O)[O-] MCULE-2242790491 [0,1,0,0,0,0|1,0,0]=2 231 B13R0.54 CCCCCNCCCCCC(=O)O MCULE-7344928222 [0,1,0,0,0,0|1,0,0]=2 232 B13R0.54 CCCCOCCOCCOC(=O)C MCULE-7207932009 [0,1,0,0,0,0|3,0,0]=4 233 B13R0.54 CCCCSCCCCCCC(=O)O MCULE-8131072528 [0,1,0,0,0,0|1,0,0]=2 234 B13R0.54 COCCOCCOCCCC(=O)O MCULE-5833620933 [0,1,0,0,0,0|3,0,0]=4 235 B13R0.54 N#N=NCCCCCCCCC(=O)O MCULE-9217828089 [0,1,0,0,0,0|3,0,0]=4 236 B13R0.54 NC(=O)CCCCCCCCCCBr MCULE-6636357331 [0,1,0,0,0,0|1,0,0]=2 237 B13R0.54 NCCCCCCCCCCC(=O)O MCULE-1751028538 [0,1,0,0,0,0|1,0,0]=2 238 B13R0.54 NCCCCCCCCCCC(=O)[O-] MCULE-8171823933 [0,1,0,0,0,0|1,0,0]=2 239 B13R0.54 O=C(Cl)CCCCCCCCCCBr MCULE-9607447068 [0,1,0,0,0,0|1,0,0]=2 240 B13R0.54 O=C(O)CCCCCCC/C=C/CO MCULE-9542952039 [0,1,0,0,0,0|1,0,2]=4 241 B13R0.54 O=C(O)CCCCCCCCC#CBr MCULE-4630465471 [0,1,0,0,0,0|1,0,2]=4 242 B13R0.54 O=C(O)CCCCCCCCCCBr MCULE-9911407009 [0,1,0,0,0,0|1,0,0]=2 243 B13R0.54 O=C(O)CCCCCCCCCCCl MCULE-7412307649 [0,1,0,0,0,0|1,0,0]=2 244 B13R0.54 O=C(O)CCCCCCCCCCO MCULE-8232897652 [0,1,0,0,0,0|1,0,0]=2 245 B13R0.54 O=C(O)CCCCCCCCCCS MCULE-9528951895 [0,1,0,0,0,0|1,0,0]=2 246 B13R0.54 O=C(O)CCCCCCCCCOO MCULE-9572784167 [0,1,0,0,0,0|2,0,0]=3 247 B13R0.54 O=N(=O)CCCCCCCCCCBr MCULE-8717758522 [0,1,0,0,0,0|2,0,0]=3 248 B13R0.54 O=N(=O)CCCCCCCCCCO MCULE-1367838470 [0,1,0,0,0,0|2,0,0]=3 249 B13R0.66 C=CCOC(=O)CCCCCCCC MCULE-4814095857 [0,1,0,0,0,0|2,0,1]=4 250 B13R0.66 CCCCCCCCC(=O)CCCC MCULE-3156876863 [0,1,0,0,0,0|1,0,2]=4 251 B13R0.66 CCCCCCCCC(O)CCCC MCULE-2796916892 [0,1,0,0,0,0|1,0,1]=3 252 B13R0.66 CCCCCCCCS(=O)CCCO MCULE-2280372695 [0,1,0,0,0,0|1,0,2]=4 253 B13R0.147 C=CC(=O)OCCCCCCCCC MCULE-7661811427 [0,1,0,0,0,0|2,0,1]=4 254 B13R0.147 C=CCCCCCCCCC(=O)OC MCULE-5551120975 [0,1,0,0,0,0|2,0,1]=4 255 B13R0.147 CCCCCCCCCCC(=N)NO MCULE-8351830126 [0,1,0,0,0,0|1,0,2]=4 256 B13R0.147 CCCCCCCCCCC(=O)NN MCULE-5566881162 [0,1,0,0,0,0|2,0,1]=4 257 B13R0.147 CCCCCCCCCCC(=O)OC MCULE-4524637821 [0,1,0,0,0,0|2,0,1]=4 258 B13R0.147 CCCCCCCCCCC(Br)CBr MCULE-9794028276 [0,1,0,0,0,0|1,0,1]=3 259 B13R0.147 CCCCCCCCCCC(C)C=O MCULE-1597303567 [0,1,0,0,0,0|0,0,0]=1 260 B13R0.147 CCCCCCCCCCC(C)CO MCULE-5502474074 [0,1,0,0,0,0|0,0,2]=3 261 B13R0.147 CCCCCCCCCCC(Cl)CCl MCULE-2606330649 [0,1,0,0,0,0|1,0,1]=3 262 B13R0.147 CCCCCCCCCCC(O)CN MCULE-5193471557 [0,1,0,0,0,0|1,0,1]=3 263 B13R0.147 CCCCCCCCCCC(O)CO MCULE-2615675340 [0,1,0,0,0,0|0,0,2]=3 264 B13R0.147 CCCCCCCCCCC([NH3+])CO MCULE-5249425084 [0,1,0,0,0,0|0,0,2]=3 265 B13R0.147 CCCCCCCCCCC([NH3+])CO MCULE-6389413958 [0,1,0,0,0,0|0,0,2]=3 266 B13R0.147 CCCCCCCCCC[C@@H](O)CO MCULE-6042369532 [0,1,0,0,0,0|0,0,2]=3 267 B13R0.147 CCCCCCCCCC[C@H](O)CO MCULE-1604714068 [0,1,0,0,0,0|0,0,2]=3 268 B13R0.147 CCCCCCCCOCC(O)CCl MCULE-3663457425 [0,1,0,0,0,0|2,0,1]=4 269 B13R0.147 CCCCCCCCOCC(O)CO MCULE-3516482068 [0,1,0,0,0,0|1,0,2]=4 270 B13R0.147 COC(=O)CCCCCCCCC=O MCULE-9755822433 [0,1,0,0,0,0|1,0,1]=3 271 B13R0.165 C=C(CCCCCC)CCCCCC MCULE-6268601942 [0,1,0,0,0,0|1,0,2]=4 272 B13R0.165 CCCCCCC(=O)CCCCCC MCULE-9473399411 [0,1,0,0,0,0|1,0,2]=4 273 B13R0.165 CCCCCCC(C)CCCCCC MCULE-2236189519 [0,1,0,0,0,0|1,0,1]=3 274 B13R0.165 CCCCCCC(N)CCCCCC MCULE-2802579601 [0,1,0,0,0,0|1,0,1]=3 275 B13R0.165 CCCCCCC(O)CCCCCC MCULE-2797114957 [0,1,0,0,0,0|1,0,1]=3 276 B13R0.336 BrCCCCCCCCCCCCBr MCULE-6672891675 [0,1,0,0,0,0|1,0,1]=3 277 B13R0.336 C#CCCCCCCCCCCCC MCULE-4146985591 [0,1,0,0,0,0|1,0,1]=3 278 B13R0.336 C#CCCCCCCCCCCCO MCULE-9314358664 [0,1,0,0,0,0|1,0,1]=3 279 B13R0.336 C=CCCCC=CCNCCCCC MCULE-7084444487 [0,1,0,0,0,0|1,0,2]=4 280 B13R0.336 C=CCCCCCCCCCCC=C MCULE-5370372946 [0,1,0,0,0,0|1,0,1]=3 281 B13R0.336 C=CCCCCCCCCCCCBr MCULE-3110147791 [0,1,0,0,0,0|1,0,0]=2 282 B13R0.336 C=CCCCCCCCCCCCC MCULE-5148675782 [0,1,0,0,0,0|1,0,0]=2 283 B13R0.336 C=CCCCCCCCCCCCO MCULE-6006083957 [0,1,0,0,0,0|1,0,0]=2 284 B13R0.336 C=CCSCCCCCCCCCC MCULE-6078028682 [0,1,0,0,0,0|1,0,0]=2 285 B13R0.336 CCCCCC/C=C/CCCCCC MCULE-8538281163 [0,1,0,0,0,0|1,0,2]=4 286 B13R0.336 CCCCCCC#CCCCCCC MCULE-9166604950 [0,1,0,0,0,0|1,0,2]=4 287 B13R0.336 CCCCCCC=CCCCCCC MCULE-7813511359 [0,1,0,0,0,0|1,0,2]=4 288 B13R0.336 CCCCCCCCCCC=CC#N MCULE-5311798650 [0,1,0,0,0,0|1,0,1]=3 289 B13R0.336 CCCCCCCCCCC=CCO MCULE-7248316175 [0,1,0,0,0,0|0,0,2]=3 290 B13R0.336 CCCCCCCCCCCCC#N MCULE-2240447839 [0,1,0,0,0,0|1,0,1]=3 291 B13R0.336 CCCCCCCCCCCCC=O MCULE-6267230462 [0,1,0,0,0,0|0,0,0]=1 292 B13R0.336 CCCCCCCCCCCCCBr MCULE-4920949706 [0,1,0,0,0,0|1,0,1]=3 293 B13R0.336 CCCCCCCCCCCCCC MCULE-7442374993 [0,1,0,0,0,0|1,0,1]=3 294 B13R0.336 CCCCCCCCCCCCCCl MCULE-5597677663 [0,1,0,0,0,0|1,0,1]=3 295 B13R0.336 CCCCCCCCCCCCCI MCULE-8848884635 [0,1,0,0,0,0|1,0,1]=3 296 B13R0.336 CCCCCCCCCCCCCN MCULE-1771591728 [0,1,0,0,0,0|1,0,1]=3 297 B13R0.336 CCCCCCCCCCCCCO MCULE-4385103550 [0,1,0,0,0,0|0,0,2]=3 298 B13R0.336 CCCCCCCCCCCCNC MCULE-6157278006 [0,1,0,0,0,0|1,0,1]=3 299 B13R0.336 CCCCCCCCCCCCON MCULE-8050164267 [0,1,0,0,0,0|0,0,2]=3 300 B13R0.336 CCCCCCCCCCCCSC MCULE-8837710331 [0,1,0,0,0,0|0,1,1]=3 301 B13R0.336 CCCCCCCCCCCSCC MCULE-7247079771 [0,1,0,0,0,0|1,0,1]=3 302 B13R0.336 CCCCCCCCCCNCCC MCULE-5779059384 [0,1,0,0,0,0|1,0,1]=3 303 B13R0.336 CCCCCCCCCCNCCO MCULE-6579629969 [0,1,0,0,0,0|0,0,2]=3 304 B13R0.336 CCCCCCCCCCOCCCl MCULE-1526089088 [0,1,0,0,0,0|1,0,1]=3 305 B13R0.336 CCCCCCCCCCOCCO MCULE-4975665756 [0,1,0,0,0,0|0,0,2]=3 306 B13R0.336 CCCCCCCCCCSCCO MCULE-4627647142 [0,1,0,0,0,0|0,0,2]=3 307 B13R0.336 CCCCCCCCCC[NH2+]CCCl MCULE-2529658193 [0,1,0,0,0,0|1,0,1]=3 308 B13R0.336 CCCCCCCCCC[NH2+]CCCl MCULE-5824513113 [0,1,0,0,0,0|1,0,1]=3 309 B13R0.336 CCCCCCCCCNCCC#N MCULE-7229403210 [0,1,0,0,0,0|1,0,1]=3 310 B13R0.336 CCCCCCCCC[NH2+]CCCC MCULE-3004462204 [0,1,0,0,0,0|1,0,1]=3 311 B13R0.336 CCCCCCCCC[NH2+]CCCC MCULE-3338948197 [0,1,0,0,0,0|1,0,1]=3 312 B13R0.336 CCCCCCCCNCCOCC MCULE-6476025295 [0,1,0,0,0,0|2,0,1]=4 313 B13R0.336 CCCCCCCC[NH2+]CCOCC MCULE-4163142812 [0,1,0,0,0,0|2,0,1]=4 314 B13R0.336 CCCCCCCNCCCNCC MCULE-4051699159 [0,1,0,0,0,0|2,0,1]=4 315 B13R0.336 CCCCCCCOCCOCCCl MCULE-7165053997 [0,1,0,0,0,0|2,0,1]=4 316 B13R0.336 CCCCCCCSCCOCCO MCULE-9037054254 [0,1,0,0,0,0|1,0,2]=4 317 B13R0.336 CCCCCCNCCCCCCN MCULE-6843159625 [0,1,0,0,0,0|1,0,1]=3 318 B13R0.336 CCCCCCSSCCCCCC MCULE-8877459781 [0,1,0,0,0,0|2,0,1]=4 319 B13R0.336 CCCNCCCCCCNCCC MCULE-3165058793 [0,1,0,0,0,0|2,0,1]=4 320 B13R0.336 CCCOCCOCCCCCCCl MCULE-3105139015 [0,1,0,0,0,0|2,0,1]=4 321 B13R0.336 ClCCCCCCCCCCCCCl MCULE-9606409213 [0,1,0,0,0,0|1,0,1]=3 322 B13R0.336 N#CCCCCCCCCCCC#N MCULE-2498633799 [0,1,0,0,0,0|1,0,2]=4 323 B13R0.336 N#N=NCCCCCCCCCCN MCULE-1994034050 [0,1,0,0,0,0|3,0,0]=4 324 B13R0.336 N#N=NCCCCCCCCCCO MCULE-1106977345 [0,1,0,0,0,0|3,0,0]=4 325 B13R0.336 NCCCCCCCCCCCCBr MCULE-3944006044 [0,1,0,0,0,0|1,0,1]=3 326 B13R0.336 NCCCCCCCCCCCCBr MCULE-9552866350 [0,1,0,0,0,0|1,0,1]=3 327 B13R0.336 NCCCCCCCCCCCCN MCULE-7545047614 [0,1,0,0,0,0|1,0,1]=3 328 B13R0.336 NCCCCCCCCCCCCO MCULE-2914976551 [0,1,0,0,0,0|0,0,2]=3 329 B13R0.336 O=CCCCCCCCCCCC=O MCULE-9426216050 [0,1,0,0,0,0|0,0,1]=2 330 B13R0.336 O=CCCCCCCCCCCCBr MCULE-4256275371 [0,1,0,0,0,0|0,0,0]=1 331 B13R0.336 OCCCCCCCCCCCCBr MCULE-1748500310 [0,1,0,0,0,0|0,0,2]=3 332 B13R0.336 OCCCCCCCCCCCCO MCULE-7189041510 [0,1,0,0,0,0|0,0,2]=3 333 B13R0.336 OCCCCCOCCCCCCCl MCULE-1987336489 [0,1,0,0,0,0|1,0,2]=4 334 B13R1.28 BrCCCCCCN1CCCCC1 MCULE-6011701351 [0,0,0,1,0,0|2,0,1]=4 335 B13R1.28 BrCCCCCCN1CCCCC1 MCULE-9810821767 [0,0,0,1,0,0|2,0,1]=4 336 B13R1.28 C=CCCCOCC1CCCNC1 MCULE-1388192137 [0,0,0,1,0,0|3,0,0]=4 337 B13R1.28 C=CCCCOCC1CCCNC1 MCULE-2475035835 [0,0,0,1,0,0|3,0,0]=4 338 B13R1.28 C=CCCCOCC1CCNCC1 MCULE-2419701468 [0,0,0,1,0,0|3,0,0]=4 339 B13R1.28 C=CCCCOCC1CCNCC1 MCULE-9126072209 [0,0,0,1,0,0|3,0,0]=4 340 B13R1.28 CCCCCCCC1CCCCC1 MCULE-5431487347 [0,0,0,1,0,0|1,0,1]=3 341 B13R1.28 CCCCCCNC1CCCCC1 MCULE-6789452864 [0,0,0,1,0,0|2,0,1]=4 342 B13R1.28 CCCCCOCC1CCCNC1 MCULE-3693003650 [0,0,0,1,0,0|3,0,0]=4 343 B13R1.28 CCCCCOCC1CCCNC1 MCULE-9088432986 [0,0,0,1,0,0|3,0,0]=4 344 B13R1.28 CCCCOCCC1CCCCN1 MCULE-1782187856 [0,0,0,1,0,0|2,0,1]=4 345 B13R1.28 CCCCOCCC1CCCCN1 MCULE-9531880120 [0,0,0,1,0,0|2,0,1]=4 346 B13R1.28 CCCCOCCC1CCCNC1 MCULE-1520952561 [0,0,0,1,0,0|3,0,0]=4 347 B13R1.28 CCCCOCCC1CCCNC1 MCULE-5024842978 [0,0,0,1,0,0|3,0,0]=4 348 B13R1.28 ClCCCCCCN1CCCCC1 MCULE-6200665496 [0,0,0,1,0,0|2,0,1]=4 349 B13R1.28 ClCCCCCCN1CCCCC1 MCULE-8895316075 [0,0,0,1,0,0|2,0,1]=4 350 B13R1.28 NCCCCCCN1CCCCC1 MCULE-9114143742 [0,0,0,1,0,0|2,0,1]=4 351 B13R1.28 NCCCCCOC1CCCCC1 MCULE-3129190368 [0,0,0,1,0,0|2,0,1]=4 352 B13R1.28 OCCCCCCN1CCCCC1 MCULE-2495960726 [0,0,0,1,0,0|1,0,2]=4 353 B13R1.28 OCCCOCCC1CCCCC1 MCULE-7506426792 [0,0,0,1,0,0|1,0,2]=4 354 B13R1.28 OCCNCCCC1CCCCC1 MCULE-8626697968 [0,0,0,1,0,0|1,0,2]=4 355 B13R1.34 CCOCCN1CCNCCC1=O MCULE-3608170032 [0,0,0,1,0,0|3,0,0]=4 356 B13R1.34 CCOCCN1CCNCCC1=O MCULE-6065051100 [0,0,0,1,0,0|3,0,0]=4 357 B13R1.84 CCC1CCCCN1CCCCN MCULE-5318305041 [0,0,0,1,0,0|2,0,1]=4 358 B13R1.119 CNCCCCCCN1CCCC1 MCULE-8799015618 [0,0,0,1,0,0|3,0,0]=4 359 B13R1.119 NCCCCCCCN1CCCC1 MCULE-9384996396 [0,0,0,1,0,0|2,0,1]=4 360 B13R1.137 CCCCCCC1CCCC1=NO MCULE-2071942896 [0,0,0,1,0,0|1,0,2]=4 361 B13R1.207 CCNC1CCCCCCC1OC MCULE-7916661103 [0,0,0,1,0,0|3,0,0]=4 362 B13R1.207 CCOC1CCCCCCC1NC MCULE-2927737246 [0,0,0,1,0,0|3,0,0]=4 363 B13R1.279 C=C1CCCCCCCCCCC1 MCULE-1393925319 [0,0,0,1,0,0|1,0,0]=2 364 B13R1.279 NC1CCCCCCCCCCC1 MCULE-2290888255 [0,0,0,1,0,0|1,0,1]=3 365 B13R1.279 NC1CCCCCCCCCCC1 MCULE-4286699290 [0,0,0,1,0,0|1,0,1]=3 366 B13R1.279 O=C1CCCCCCCCCCC1 MCULE-8431279332 [0,0,0,1,0,0|0,0,0]=1 367 B13R1.279 O=C1CCCCCCCCCCN1 MCULE-7739147292 [0,0,0,1,0,0|1,0,0]=2 368 B13R1.279 O=C1CCCCCCCCCCO1 MCULE-5646678690 [0,0,0,1,0,0|1,0,0]=2 369 B13R1.279 OC1CCCCCCCCCCC1 MCULE-4246723921 [0,0,0,1,0,0|0,0,2]=3 370 B13R1.279 SC1CCCCCCCCCCC1 MCULE-1071128546 [0,0,0,1,0,0|0,1,1]=3 371 B13R1.555 CCCCCCC1CCCCC1=O MCULE-7562924636 [0,0,0,1,0,0|0,0,0]=1 372 B13R1.560 CCCCCCCCOC1CNC1 MCULE-1753228172 [0,0,0,1,0,0|3,0,0]=4 373 B13R1.654 CCCCCCCC1CCCC1=O MCULE-6699941490 [0,0,0,1,0,0|0,0,0]=1 374 B13R1.654 NCCCCCCN1CCCC1=O MCULE-3326150174 [0,0,0,1,0,0|2,0,0]=3 375 B13R1.659 BrCCCCCCCCCC1CC1 MCULE-7543642317 [0,0,0,1,0,0|1,0,1]=3 376 B13R1.659 CCCCCCCCCCC1CO1 MCULE-4819613479 [0,0,0,1,0,0|0,0,2]=3 377 B13R1.659 CCCCCCCCCC[C@@H]1CO1 MCULE-4884564986 [0,0,0,1,0,0|0,0,2]=3 378 B13R1.659 CCCCCCCCOCC1CO1 MCULE-8564069898 [0,0,0,1,0,0|1,0,2]=4 379 B13R1.1150 COCCNC1CCCCCCC1 MCULE-1887963695 [0,0,0,1,0,0|3,0,0]=4 380 B13R1.1150 N#CCCNC1CCCCCCC1 MCULE-6159962391 [0,0,0,1,0,0|2,0,1]=4 381 B13R1.1887 CCCCCCC1CCCCCN1 MCULE-6689022953 [0,0,0,1,0,0|1,0,1]=3 382 B13R1.1887 NCCCCCN1CCCCCC1 MCULE-9706592733 [0,0,0,1,0,0|2,0,1]=4 383 B13R1.1887 NCCCCOC1CCCCCC1 MCULE-7191830940 [0,0,0,1,0,0|2,0,1]=4 384 B13R1.2883 C1CCCCCCNCCCCC1 MCULE-9792674396 [0,0,0,1,0,0|1,0,1]=3 385 B10R0.71 BrCCCCCCCCCBr MCULE-3406292941 [2,0,0,0,0,0|2,0,0]=4 386 B10R0.71 C#CCCCCCCCCC MCULE-3352869074 [2,0,0,0,0,0|0,0,2]=4 387 B10R0.71 C=CCCCCCCCC=O MCULE-2236196328 [2,0,0,0,0,0|0,0,2]=4 388 B10R0.71 C=CCCCCCCCCBr MCULE-9645873151 [2,0,0,0,0,0|1,0,1]=4 389 B10R0.71 C=CCCCCCCCCC MCULE-8437878932 [2,0,0,0,0,0|0,0,1]=3 390 B10R0.71 C=CCCCCCCCCI MCULE-5534023915 [2,0,0,0,0,0|1,0,1]=4 391 B10R0.71 C=CCCCCCCCCN MCULE-2867070960 [2,0,0,0,0,0|1,0,1]=4 392 B10R0.71 C=CCCCCCCCCN MCULE-6734552056 [2,0,0,0,0,0|1,0,1]=4 393 B10R0.71 C=CCCCCCCCCO MCULE-1808688008 [2,0,0,0,0,0|1,0,1]=4 394 B10R0.71 C=CCCCCSCCCC MCULE-9557499584 [2,0,0,0,0,0|1,0,1]=4 395 B10R0.71 C=COCCCCCCCC MCULE-9207967577 [2,0,0,0,0,0|1,0,1]=4 396 B10R0.71 CCC#CCCCCCCC MCULE-4172735383 [2,0,0,0,0,0|0,0,2]=4 397 B10R0.71 CCCCC#CCCCCC MCULE-9228856431 [2,0,0,0,0,0|0,0,2]=4 398 B10R0.71 CCCCC/C=C/CCC=O MCULE-6310350913 [2,0,0,0,0,0|0,0,2]=4 399 B10R0.71 CCCCC/C=C\CCC=O MCULE-2454675705 [2,0,0,0,0,0|0,0,2]=4 400 B10R0.71 CCCCCC=CCCC=O MCULE-4591548304 [2,0,0,0,0,0|0,0,2]=4 401 B10R0.71 CCCCCCCC=CC=O MCULE-8898697953 [2,0,0,0,0,0|0,0,2]=4 402 B10R0.71 CCCCCCCCCC#N MCULE-1090480870 [2,0,0,0,0,0|1,0,1]=4 403 B10R0.71 CCCCCCCCCC=O MCULE-1782320282 [2,0,0,0,0,0|0,0,0]=2 404 B10R0.71 CCCCCCCCCCBr MCULE-1805531766 [2,0,0,0,0,0|1,0,0]=3 405 B10R0.71 CCCCCCCCCCC MCULE-7319807036 [2,0,0,0,0,0|0,0,0]=2 406 B10R0.71 CCCCCCCCCCCl MCULE-7602190189 [2,0,0,0,0,0|1,0,0]=3 407 B10R0.71 CCCCCCCCCCF MCULE-6490238051 [2,0,0,0,0,0|1,0,0]=3 408 B10R0.71 CCCCCCCCCCI MCULE-6718970716 [2,0,0,0,0,0|1,0,0]=3 409 B10R0.71 CCCCCCCCCCN MCULE-3389198970 [2,0,0,0,0,0|1,0,0]=3 410 B10R0.71 CCCCCCCCCCO MCULE-7579570663 [2,0,0,0,0,0|0,0,1]=3 411 B10R0.71 CCCCCCCCCCS MCULE-5945458624 [2,0,0,0,0,0|0,1,0]=3 412 B10R0.71 CCCCCCCCCNC MCULE-3969866054 [2,0,0,0,0,0|1,0,0]=3 413 B10R0.71 CCCCCCCCCNC MCULE-6631883657 [2,0,0,0,0,0|1,0,0]=3 414 B10R0.71 CCCCCCCCCOC MCULE-3906263885 [2,0,0,0,0,0|1,0,0]=3 415 B10R0.71 CCCCCCCCCON MCULE-2563186433 [2,0,0,0,0,0|2,0,0]=4 416 B10R0.71 CCCCCCCCCSC MCULE-9001057781 [2,0,0,0,0,0|1,0,0]=3 417 B10R0.71 CCCCCCCCN=C=O MCULE-8555471006 [2,0,0,0,0,0|1,0,1]=4 418 B10R0.71 CCCCCCCCNC=O MCULE-5327203150 [2,0,0,0,0,0|1,0,0]=3 419 B10R0.71 CCCCCCCCOC=O MCULE-6865253802 [2,0,0,0,0,0|1,0,0]=3 420 B10R0.71 CCCCCCCCOCC MCULE-7803614357 [2,0,0,0,0,0|1,0,0]=3 421 B10R0.71 CCCCCCCCOCCl MCULE-8103995676 [2,0,0,0,0,0|2,0,0]=4 422 B10R0.71 CCCCCCCNOCC MCULE-6718978813 [2,0,0,0,0,0|2,0,0]=4 423 B10R0.71 CCCCCCCNOCC MCULE-7446092946 [2,0,0,0,0,0|2,0,0]=4 424 B10R0.71 CCCCCCCOCCCl MCULE-9608529645 [2,0,0,0,0,0|2,0,0]=4 425 B10R0.71 CCCCCCCOCCO MCULE-4391734532 [2,0,0,0,0,0|1,0,1]=4 426 B10R0.71 CCCCCCCOCCS MCULE-8215096371 [2,0,0,0,0,0|1,1,0]=4 427 B10R0.71 CCCCCCCSCCO MCULE-5713036847 [2,0,0,0,0,0|1,0,1]=4 428 B10R0.71 CCCCCCNCCCC MCULE-1698769182 [2,0,0,0,0,0|1,0,0]=3 429 B10R0.71 CCCCCCNCCCCl MCULE-2065775862 [2,0,0,0,0,0|2,0,0]=4 430 B10R0.71 CCCCCCNCCCN MCULE-7482733368 [2,0,0,0,0,0|2,0,0]=4 431 B10R0.71 CCCCCC[NH2+]CCCCl MCULE-1476963531 [2,0,0,0,0,0|2,0,0]=4 432 B10R0.71 CCCCCNCCCCC MCULE-6460289904 [2,0,0,0,0,0|1,0,0]=3 433 B10R0.71 CCCCCNCCCCC MCULE-7466612345 [2,0,0,0,0,0|1,0,0]=3 434 B10R0.71 CCCCCNCCCOC MCULE-8182280213 [2,0,0,0,0,0|2,0,0]=4 435 B10R0.71 CCCCCOCCCCC MCULE-2510849143 [2,0,0,0,0,0|1,0,0]=3 436 B10R0.71 CCCCCSCCCCC MCULE-3839664161 [2,0,0,0,0,0|1,0,0]=3 437 B10R0.71 CCCCOCOCCCC MCULE-5701893914 [2,0,0,0,0,0|2,0,0]=4 438 B10R0.71 COCCCCCCCCO MCULE-1529283698 [2,0,0,0,0,0|1,0,1]=4 439 B10R0.71 ClCCCCCCCCCCl MCULE-3488427873 [2,0,0,0,0,0|2,0,0]=4 440 B10R0.71 NCCCCCCCCCN MCULE-8114252394 [2,0,0,0,0,0|2,0,0]=4 441 B10R0.71 NCCCCCCCCCO MCULE-2359018291 [2,0,0,0,0,0|1,0,1]=4 442 B10R0.71 O=CCCCCCCCCBr MCULE-7863300341 [2,0,0,0,0,0|1,0,0]=3 443 B10R0.71 OCCCCCCCCCBr MCULE-7708976482 [2,0,0,0,0,0|1,0,1]=4 444 B10R0.71 OCCCCCCCCCCl MCULE-4637398536 [2,0,0,0,0,0|1,0,1]=4 445 B10R0.71 OCCCCCCCCCI MCULE-6281256155 [2,0,0,0,0,0|1,0,1]=4 446 B10R0.71 OCCCCCCCCCO MCULE-3258442969 [2,0,0,0,0,0|1,0,1]=4 447 B10R0.71 OCCCCCCCCCS MCULE-3447886598 [2,0,0,0,0,0|1,0,1]=4 448 B10R0.71 SCCCCCCCCCS MCULE-1712418590 [2,0,0,0,0,0|1,1,0]=4 449 B10R0.71 [NH2+](CCCC)CCCCCC MCULE-8926764515 [2,0,0,0,0,0|1,0,0]=3 450 B12R0.1 C=CCC(C)CCCCCCCC MCULE-8322698729 [1,1,0,0,0,0|0,0,1]=3 451 B12R0.1 CCCCCCCCC(C)CCC MCULE-8337776414 [1,1,0,0,0,0|0,0,1]=3 452 B12R0.1 CCCCCCCCC(O)CCC MCULE-4193341089 [1,1,0,0,0,0|0,0,1]=3 453 B12R0.1 CCCCCCCCS(=O)CCCl MCULE-5342861128 [1,1,0,0,0,0|2,0,0]=4 454 B12R0.1 CCCCCCCCS(=O)CCO MCULE-7963242650 [1,1,0,0,0,0|1,0,1]=4 455 B12R0.47 CCCCCCC(=O)CCCCC MCULE-2532885187 [1,1,0,0,0,0|0,0,2]=4 456 B12R0.47 CCCCCCC(O)CCCCC MCULE-9826172328 [1,1,0,0,0,0|0,0,1]=3 457 B12R0.206 CCCCCCCC(=O)CCCC MCULE-8871455068 [1,1,0,0,0,0|0,0,2]=4 458 B12R0.206 CCCCCCCC(O)CCCC MCULE-7645297712 [1,1,0,0,0,0|0,0,1]=3 459 B12R0.206 CCCCCCOC(C)CCCC MCULE-3599664509 [1,1,0,0,0,0|1,0,1]=4 460 B12R0.234 C#CCCCCCCCCC(=O)Cl MCULE-2889527190 [1,1,0,0,0,0|0,0,2]=4 461 B12R0.234 C#CCCCCCCCCC(=O)O MCULE-2483655428 [1,1,0,0,0,0|0,0,2]=4 462 B12R0.234 C=C(Br)CCCCCCCCCC MCULE-6429692740 [1,1,0,0,0,0|0,0,1]=3 463 B12R0.234 C=C(C)CCCCCCCCCC MCULE-5430192671 [1,1,0,0,0,0|0,0,1]=3 464 B12R0.234 C=C(Cl)CCCCCCCCCC MCULE-5277185113 [1,1,0,0,0,0|0,0,1]=3 465 B12R0.234 C=CCCCCCCCCC(=O)C MCULE-8465504630 [1,1,0,0,0,0|0,0,2]=4 466 B12R0.234 C=CCCCCCCCCC(=O)Cl MCULE-1643300518 [1,1,0,0,0,0|0,0,2]=4 467 B12R0.234 C=CCCCCCCCCC(=O)N MCULE-2069893872 [1,1,0,0,0,0|0,0,2]=4 468 B12R0.234 C=CCCCCCCCCC(=O)O MCULE-7928135942 [1,1,0,0,0,0|0,0,2]=4 469 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-4921741648 [1,1,0,0,0,0|0,0,2]=4 470 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-8671525222 [1,1,0,0,0,0|0,0,2]=4 471 B12R0.234 CC#CCCCCCCCC(=O)O MCULE-8975663292 [1,1,0,0,0,0|0,0,2]=4 472 B12R0.234 CC(=O)OCCCCCCCCBr MCULE-4728650316 [1,1,0,0,0,0|2,0,0]=4 473 B12R0.234 CCCCCCC/C=C/CC(=O)C MCULE-6992455059 [1,1,0,0,0,0|0,0,2]=4 474 B12R0.234 CCCCCCCC/C=C/C(=O)O MCULE-6786701242 [1,1,0,0,0,0|0,0,2]=4 475 B12R0.234 CCCCCCCCC=CC(=O)O MCULE-7750983255 [1,1,0,0,0,0|0,0,2]=4 476 B12R0.234 CCCCCCCCCCB(O)O MCULE-6277841305 [1,1,0,0,0,0|1,0,1]=4 477 B12R0.234 CCCCCCCCCCC(=O)C MCULE-3936750617 [1,1,0,0,0,0|0,0,0]=2 478 B12R0.234 CCCCCCCCCCC(=O)Cl MCULE-1131766423 [1,1,0,0,0,0|0,0,0]=2 479 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [1,1,0,0,0,0|0,0,0]=2 480 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [1,1,0,0,0,0|0,0,0]=2 481 B12R0.234 CCCCCCCCCCC(C)N MCULE-6206499625 [1,1,0,0,0,0|0,0,1]=3 482 B12R0.234 CCCCCCCCCCC(C)O MCULE-9407036721 [1,1,0,0,0,0|0,0,1]=3 483 B12R0.234 CCCCCCCCCCN(=O)=O MCULE-9525688454 [1,1,0,0,0,0|1,0,0]=3 484 B12R0.234 CCCCCCCCCCN(C)C MCULE-5051937267 [1,1,0,0,0,0|1,0,1]=4 485 B12R0.234 CCCCCCCCCCS(=O)C MCULE-1607212944 [1,1,0,0,0,0|1,0,0]=3 486 B12R0.234 CCCCCCCCCOC(=O)C MCULE-7712513310 [1,1,0,0,0,0|1,0,0]=3 487 B12R0.234 CCCCCCCCCOC(=O)Cl MCULE-4937657236 [1,1,0,0,0,0|1,0,0]=3 488 B12R0.234 CCCCCCCCCOC(=S)[S-] MCULE-1048722427 [1,1,0,0,0,0|1,1,0]=4 489 B12R0.234 CCCCCCCCCOC(=S)[S-] MCULE-2082950273 [1,1,0,0,0,0|1,1,0]=4 490 B12R0.234 CCCCCCCCCSC(=N)N MCULE-2574065227 [1,1,0,0,0,0|2,0,0]=4 491 B12R0.234 CCCCCCCCCSC(=N)N MCULE-7175152082 [1,1,0,0,0,0|2,0,0]=4 492 B12R0.234 CCCCCCCCNCC(C)O MCULE-9293787711 [1,1,0,0,0,0|1,0,1]=4 493 B12R0.234 CCCCCCCCOCC(=O)O MCULE-8710960938 [1,1,0,0,0,0|1,0,0]=3 494 B12R0.234 CCCCCCCCOCC(C)O MCULE-7262368590 [1,1,0,0,0,0|1,0,1]=4 495 B12R0.234 CCCCCCCCSCC(=O)N MCULE-3095528852 [1,1,0,0,0,0|1,0,0]=3 496 B12R0.234 CCCCCCCCSCC(=O)O MCULE-8082253480 [1,1,0,0,0,0|1,0,0]=3 497 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-1736831432 [1,1,0,0,0,0|1,0,0]=3 498 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-8284012398 [1,1,0,0,0,0|1,0,0]=3 499 B12R0.234 CCCCCCCNCCC(=O)N MCULE-9973742738 [1,1,0,0,0,0|1,0,0]=3 500 B12R0.234 CCOCCCCCCCC(=O)O MCULE-4393917993 [1,1,0,0,0,0|1,0,0]=3 501 B12R0.234 N#CCCCCCCCCC(=O)O MCULE-1219422242 [1,1,0,0,0,0|1,0,1]=4 502 B12R0.234 NCCCCCCCCCC(=O)O MCULE-1324986945 [1,1,0,0,0,0|1,0,0]=3 503 B12R0.234 O=C(O)CCCCCCCCCBr MCULE-5728710095 [1,1,0,0,0,0|1,0,0]=3 504 B12R0.234 O=C(O)CCCCCCCCCF MCULE-1907577974 [1,1,0,0,0,0|1,0,0]=3 505 B12R0.234 O=C(O)CCCCCCCCCO MCULE-3771681317 [1,1,0,0,0,0|1,0,0]=3 506 B12R0.234 O=N(=O)CCCCCCCCCBr MCULE-3636866484 [1,1,0,0,0,0|2,0,0]=4 507 B12R0.234 O=N(=O)CCCCCCCCCO MCULE-4658294221 [1,1,0,0,0,0|2,0,0]=4 508 B12R0.248 CCCCCCCCCC(=O)CC MCULE-8070056231 [1,1,0,0,0,0|0,0,2]=4 509 B12R0.248 CCCCCCCCCC(C)C=O MCULE-7485962352 [1,1,0,0,0,0|0,0,0]=2 510 B12R0.248 CCCCCCCCCC(O)CC MCULE-8088841540 [1,1,0,0,0,0|0,0,1]=3 511 B12R0.248 CCCCCCCCCC(O)CO MCULE-3958170897 [1,1,0,0,0,0|0,0,1]=3 512 B12R0.248 CCCCCCCCCC([NH3+])CO MCULE-4329139225 [1,1,0,0,0,0|0,0,1]=3 513 B12R0.248 CCCCCCCCCC([NH3+])CO MCULE-6424120612 [1,1,0,0,0,0|0,0,1]=3 514 B12R0.248 COC(=O)CCCCCCCC=O MCULE-8962678443 [1,1,0,0,0,0|1,0,1]=4 515 B12R0.248 OCCCCCCCCC(O)CO MCULE-5399962147 [1,1,0,0,0,0|1,0,1]=4 516 B14R0.391 CCCCCC/C=C\CC(O)CC(=O)O MCULE-2404322318 [0,2,0,0,0,0|0,0,2]=4 517 B14R0.391 CCCCCCCCCC(C)CC(=O)O MCULE-2198601753 [0,2,0,0,0,0|0,0,0]=2 518 B14R0.391 CCCCCCCCCC(O)CC(=O)O MCULE-8054557225 [0,2,0,0,0,0|0,0,0]=2 519 B14R0.391 CCCCCCCCC[C@@H](O)CC(=O)O MCULE-9862158900 [0,2,0,0,0,0|0,0,0]=2 520 B14R0.391 CCCCCCCCNC(=O)CC(=O)O MCULE-5427245082 [0,2,0,0,0,0|1,0,1]=4 521 B14R0.391 CCCCCCCCOC(=O)CC(=O)C MCULE-8441732366 [0,2,0,0,0,0|1,0,1]=4 522 B14R0.393 C=CCC(C)CCCCCCCCCC MCULE-2252205948 [0,2,0,0,0,0|1,0,0]=3 523 B14R0.393 C=CCCCCCCCCC(=O)OCC MCULE-8561484163 [0,2,0,0,0,0|1,0,1]=4 524 B14R0.393 CCCCCCCCCCN(C)CCO MCULE-3497889898 [0,2,0,0,0,0|0,0,2]=4 525 B14R0.393 CCCCCCCCCCS(=O)CCCl MCULE-1369991528 [0,2,0,0,0,0|1,0,1]=4 526 B14R0.393 CCCCCCCCCCS(=O)CCO MCULE-6360797475 [0,2,0,0,0,0|0,0,2]=4 527 B14R0.393 CCOC(=O)CCCCCCCCC=O MCULE-1701011376 [0,2,0,0,0,0|0,0,1]=3 528 B14R0.432 CCOC(=O)CCCCCCCC(=O)C MCULE-8382585898 [0,2,0,0,0,0|1,0,1]=4 529 B14R0.2 CCCCCCCC(=O)CCCC(=O)O MCULE-7869619246 [0,2,0,0,0,0|0,0,1]=3 530 B14R0.2 CCCCCCCC(=O)NCCC(=O)O MCULE-8282090533 [0,2,0,0,0,0|1,0,1]=4 531 B14R0.2 CCCCCCCC(=O)NCCC(=O)[O-] MCULE-3856683125 [0,2,0,0,0,0|1,0,1]=4 532 B14R0.2 CCCCCCCC(O)CCCC(=O)O MCULE-5858594058 [0,2,0,0,0,0|0,0,0]=2 533 B14R0.68 CC(=O)CCCCCCCCCC(=O)O MCULE-2777579719 [0,2,0,0,0,0|0,0,1]=3 534 B14R0.68 CC(=O)CCCCCCCCNC(=O)C MCULE-5569964910 [0,2,0,0,0,0|1,0,1]=4 535 B14R0.68 CC(=O)NCCCCCCCCC(=O)O MCULE-6693735666 [0,2,0,0,0,0|1,0,1]=4 536 B14R0.68 CC(C)CCCCCCC/C=C\C(=O)O MCULE-6085372462 [0,2,0,0,0,0|0,0,2]=4 537 B14R0.68 CC(C)CCCCCCCC=CC(=O)O MCULE-2095727186 [0,2,0,0,0,0|0,0,2]=4 538 B14R0.68 CC(C)CCCCCCCCCC(=O)O MCULE-8259958688 [0,2,0,0,0,0|0,0,0]=2 539 B14R0.68 CC(O)CCCCCCCCCC(=O)O MCULE-5368688925 [0,2,0,0,0,0|0,0,0]=2 540 B14R0.68 O=C(O)CCCCCCCCCC(=O)O MCULE-3587613382 [0,2,0,0,0,0|1,0,1]=4 541 B14R0.88 CC(C)(C)CCCCCCCCCCS MCULE-7614280801 [0,2,0,0,0,0|0,1,1]=4 542 B14R0.88 CCCCCCCCCCCC(C)(C)S MCULE-9956928254 [0,2,0,0,0,0|0,1,1]=4 543 B14R0.88 CCCCCCCCCCCP(=O)(O)O MCULE-1217279150 [0,2,0,0,0,0|1,0,0]=3 544 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-3066318526 [0,2,0,0,0,0|1,0,0]=3 545 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-7737058858 [0,2,0,0,0,0|1,0,0]=3 546 B14R0.88 CCCCCCCCCCC[N+](C)(C)[O-] MCULE-7281407013 [0,2,0,0,0,0|1,0,1]=4 547 B14R0.88 CCCCCCCCCCC[Si](Cl)(Cl)Cl MCULE-1348971560 [0,2,0,0,0,0|1,1,0]=4 548 B14R0.88 CCCCCCCCCCOP(=O)(O)O MCULE-6182561553 [0,2,0,0,0,0|2,0,0]=4 549 B14R0.88 CCCCCCCCCCOP(=O)([O-])O MCULE-7698287185 [0,2,0,0,0,0|2,0,0]=4 550 B14R0.88 CCCCCCCCCCOS(=O)(=O)O MCULE-5411467830 [0,2,0,0,0,0|2,0,0]=4 551 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] MCULE-7216166437 [0,2,0,0,0,0|2,0,0]=4 552 B14R0.88 NCCCCCCCCCCP(=O)(O)O MCULE-5353498495 [0,2,0,0,0,0|2,0,0]=4 553 B14R0.88 NCCCCCCCCCCP(=O)(O)O MCULE-8370982773 [0,2,0,0,0,0|2,0,0]=4 554 B14R0.88 O=P(O)(O)CCCCCCCCCCBr MCULE-8137402085 [0,2,0,0,0,0|2,0,0]=4 555 B14R0.153 CCCCC(=O)CCCCCCC(=O)O MCULE-9203558568 [0,2,0,0,0,0|0,0,1]=3 556 B14R0.153 CCCCC(O)CCCCCCC(=O)O MCULE-9749358521 [0,2,0,0,0,0|0,0,0]=2 557 B14R0.231 CCCCCC(=O)CCCCCC(=O)O MCULE-3463709825 [0,2,0,0,0,0|0,0,1]=3 558 B14R0.231 CCCCCC(=O)NCCCCC(=O)O MCULE-9650195842 [0,2,0,0,0,0|1,0,1]=4 559 B14R0.231 CCCCCC(O)CCCCCC(=O)O MCULE-1531878545 [0,2,0,0,0,0|0,0,0]=2 560 B14R0.305 CCC(=O)CCCCCCCCC(=O)O MCULE-6679639032 [0,2,0,0,0,0|0,0,1]=3 561 B14R0.305 CCC(C)CCCCCCCCC(=O)O MCULE-9730846585 [0,2,0,0,0,0|0,0,0]=2 562 B14R0.305 COC(=O)CCCCCCCCC(=O)Cl MCULE-2877186513 [0,2,0,0,0,0|1,0,1]=4 563 B14R0.305 COC(=O)CCCCCCCCC(=O)O MCULE-8938642997 [0,2,0,0,0,0|1,0,1]=4 564 B14R0.305 O=C(O)CCCCCCCCC(O)CO MCULE-9638168645 [0,2,0,0,0,0|1,0,0]=3 565 B14R0.337 C#CC(O)CCCCCCCCCCC MCULE-1894988558 [0,2,0,0,0,0|0,0,2]=4 566 B14R0.337 C#CCCCCCCCCCC(=O)OC MCULE-2600718880 [0,2,0,0,0,0|0,0,2]=4 567 B14R0.337 C=CC(=O)OCCCCCCCCCC MCULE-3709831969 [0,2,0,0,0,0|1,0,0]=3 568 B14R0.337 C=CCCCCCCCCCC(=O)OC MCULE-1906791288 [0,2,0,0,0,0|0,0,2]=4 569 B14R0.337 CCCCCCCCCCCC(=N)OC MCULE-5898572032 [0,2,0,0,0,0|0,0,1]=3 570 B14R0.337 CCCCCCCCCCCC(=N)OC MCULE-8778239925 [0,2,0,0,0,0|0,0,1]=3 571 B14R0.337 CCCCCCCCCCCC(=O)CC MCULE-2582968261 [0,2,0,0,0,0|0,0,0]=2 572 B14R0.337 CCCCCCCCCCCC(=O)NC MCULE-2342575514 [0,2,0,0,0,0|0,0,0]=2 573 B14R0.337 CCCCCCCCCCCC(=O)NN MCULE-7169996147 [0,2,0,0,0,0|0,0,0]=2 574 B14R0.337 CCCCCCCCCCCC(=O)OC MCULE-5588995078 [0,2,0,0,0,0|0,0,0]=2 575 B14R0.337 CCCCCCCCCCCC(Cl)CCl MCULE-9094665356 [0,2,0,0,0,0|1,0,1]=4 576 B14R0.337 CCCCCCCCCCCC([NH3+])CO MCULE-2365829470 [0,2,0,0,0,0|0,0,2]=4 577 B14R0.337 CCCCCCCCCCCC([NH3+])CO MCULE-3278971603 [0,2,0,0,0,0|0,0,2]=4 578 B14R0.337 CCCCCCCCCCCN(C)CC MCULE-3111741726 [0,2,0,0,0,0|1,0,1]=4 579 B14R0.337 CCCCCCCCCCNC(=O)CBr MCULE-9700566039 [0,2,0,0,0,0|1,0,0]=3 580 B14R0.337 CCCCCCCCCCNC(=O)CCl MCULE-9148882207 [0,2,0,0,0,0|1,0,0]=3 581 B14R0.337 CCCCCCCCCCNC(=S)NN MCULE-3954684394 [0,2,0,0,0,0|1,1,0]=4 582 B14R0.337 CCCCCCCCCCOC(=O)CC MCULE-5080633291 [0,2,0,0,0,0|1,0,0]=3 583 B14R0.337 CCCCCCCCCCOC(=O)CCl MCULE-7984482986 [0,2,0,0,0,0|1,0,0]=3 584 B14R0.337 CCCCCCCCCCOC(=O)CN MCULE-5542693903 [0,2,0,0,0,0|1,0,0]=3 585 B14R0.337 CCCCCCCCNCCC(=O)OC MCULE-3052571159 [0,2,0,0,0,0|1,0,0]=3 586 B14R0.337 COC(=O)CCCCCCCCCCBr MCULE-8632429257 [0,2,0,0,0,0|1,0,0]=3 587 B14R0.337 COC(=O)CCCCCCCCCCCl MCULE-4470603458 [0,2,0,0,0,0|1,0,0]=3 588 B14R0.337 COC(=O)CCCCCCCCCCI MCULE-2171087302 [0,2,0,0,0,0|1,0,0]=3 589 B14R0.337 COC(=O)CCCCCCCCCCN MCULE-5833366967 [0,2,0,0,0,0|1,0,0]=3 590 B14R0.337 COC(=O)CCCCCCCCCCN MCULE-9980770025 [0,2,0,0,0,0|1,0,0]=3 591 B14R0.340 CCCCCCCCCCC(Br)C(=O)O MCULE-8612961366 [0,2,0,0,0,0|0,0,0]=2 592 B14R0.340 CCCCCCCCCCC(C)C(=O)O MCULE-9255156956 [0,2,0,0,0,0|0,0,0]=2 593 B14R0.340 CCCCCCCCCCC(Cl)C(=O)O MCULE-6251475162 [0,2,0,0,0,0|0,0,0]=2 594 B14R0.340 CCCCCCCCCCC(N)C(=O)O MCULE-3310366500 [0,2,0,0,0,0|0,0,0]=2 595 B14R0.340 CCCCCCCCCCC(O)C(=O)O MCULE-5171743084 [0,2,0,0,0,0|0,0,0]=2 596 B14R0.340 CCCCCCCCCC[C@@H](N)C(=O)O MCULE-6652767353 [0,2,0,0,0,0|0,0,0]=2 597 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O MCULE-4936998730 [0,2,0,0,0,0|0,0,0]=2 598 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O MCULE-6114365319 [0,2,0,0,0,0|0,0,0]=2 599 B14R0.340 NCCCCNCCCC[C@H](N)C(=O)O MCULE-6406203156 [0,2,0,0,0,0|2,0,0]=4 600 B14R0.344 CCCCCCCCC(=O)CCC(=O)O MCULE-8037408561 [0,2,0,0,0,0|0,0,1]=3 601 B14R0.344 CCCCCCCCC(C)CCC(=O)O MCULE-9191627113 [0,2,0,0,0,0|0,0,0]=2 602 B14R0.344 CCCCCCCCC(O)CCC(=O)O MCULE-6470944503 [0,2,0,0,0,0|0,0,0]=2 603 B14R0.344 CCCCCCCCC(O)CCC(=O)[O-] MCULE-2857603909 [0,2,0,0,0,0|0,0,0]=2 604 B14R0.344 CCCCCCCCS(=O)CCC(=O)N MCULE-4064667650 [0,2,0,0,0,0|1,0,0]=3 605 B14R0.344 CCCCCCCCS(=O)CCC(=O)O MCULE-6503950443 [0,2,0,0,0,0|1,0,0]=3 606 B14R0.344 CCCCCCCNC(=O)CCC(=O)O MCULE-7895735111 [0,2,0,0,0,0|1,0,1]=4 607 B14R0.394 C#CCCCCCCCCCCC(=O)O MCULE-5450003719 [0,2,0,0,0,0|0,0,1]=3 608 B14R0.394 C=C(C)CCCCCCCCCCCC MCULE-1660064186 [0,2,0,0,0,0|1,0,0]=3 609 B14R0.394 C=CCCCCCCCCCCC(=C)C MCULE-2402891038 [0,2,0,0,0,0|1,0,0]=3 610 B14R0.394 C=CCCCCCCCCCCC(=O)O MCULE-9793800000 [0,2,0,0,0,0|0,0,1]=3 611 B14R0.394 C=CCCCCCCCCCSC(=O)C MCULE-4760117307 [0,2,0,0,0,0|0,0,2]=4 612 B14R0.394 CC(C)CCCCCCCCCCC=O MCULE-8754468744 [0,2,0,0,0,0|0,0,0]=2 613 B14R0.394 CCCCC#CCCCCCCC(=O)O MCULE-8024164485 [0,2,0,0,0,0|0,0,1]=3 614 B14R0.394 CCCCCCCCCCC=CC(=O)O MCULE-4178586146 [0,2,0,0,0,0|0,0,1]=3 615 B14R0.394 CCCCCCCCCCCCB(O)O MCULE-9093678828 [0,2,0,0,0,0|0,0,2]=4 616 B14R0.394 CCCCCCCCCCCCC(=O)C MCULE-2872423248 [0,2,0,0,0,0|0,0,0]=2 617 B14R0.394 CCCCCCCCCCCCC(=O)O MCULE-1430959106 [0,2,0,0,0,0|0,0,0]=2 618 B14R0.394 CCCCCCCCCCCCC(C)C MCULE-7317925183 [0,2,0,0,0,0|1,0,1]=4 619 B14R0.394 CCCCCCCCCCCCC(C)I MCULE-9658991496 [0,2,0,0,0,0|1,0,1]=4 620 B14R0.394 CCCCCCCCCCCCC(C)O MCULE-1888626759 [0,2,0,0,0,0|0,0,2]=4 621 B14R0.394 CCCCCCCCCCCCN(=O)=O MCULE-5400909349 [0,2,0,0,0,0|0,0,1]=3 622 B14R0.394 CCCCCCCCCCCCN(C)C MCULE-7234022591 [0,2,0,0,0,0|1,0,1]=4 623 B14R0.394 CCCCCCCCCCCCS(=O)C MCULE-1846061546 [0,2,0,0,0,0|0,0,1]=3 624 B14R0.394 CCCCCCCCCCCOC(=O)C MCULE-9960804873 [0,2,0,0,0,0|0,0,0]=2 625 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-1390429058 [0,2,0,0,0,0|0,0,0]=2 626 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-7569072874 [0,2,0,0,0,0|0,0,0]=2 627 B14R0.394 CCCCCCCCSCCOC(=O)C MCULE-3293546242 [0,2,0,0,0,0|1,0,0]=3 628 B14R0.394 CCCCCCCCSCCSC(=N)N MCULE-4393321218 [0,2,0,0,0,0|2,0,0]=4 629 B14R0.394 CCCCCCCCSCCSC(=N)N MCULE-8799034938 [0,2,0,0,0,0|2,0,0]=4 630 B14R0.394 N#CCCCCCCCCCCC(=O)O MCULE-7550910857 [0,2,0,0,0,0|0,0,1]=3 631 B14R0.394 N#N=NCCCCCCCCCC(=O)O MCULE-9886282931 [0,2,0,0,0,0|2,0,0]=4 632 B14R0.394 NCCCCCCCCCCCC(=O)O MCULE-4152674665 [0,2,0,0,0,0|0,0,0]=2 633 B14R0.394 O=C(O)CCCCCCCCCCCBr MCULE-7401124485 [0,2,0,0,0,0|0,0,0]=2 634 B14R0.394 O=C(O)CCCCCCCCCCCO MCULE-6776936355 [0,2,0,0,0,0|0,0,0]=2 635 B14R0.394 O=C(O)CCCCCCCCCCCS MCULE-7711860322 [0,2,0,0,0,0|0,0,0]=2 636 B14R0.394 O=C(O)COCCOCCCCCCCl MCULE-1118128476 [0,2,0,0,0,0|2,0,0]=4 637 B14R0.394 O=N(=O)CCCCCCCCCCCO MCULE-8940789390 [0,2,0,0,0,0|1,0,0]=3 638 B14R0.394 [NH+](C)(C)CCCCCCCCCCCC MCULE-8328860853 [0,2,0,0,0,0|1,0,1]=4 639 B14R0.2224 CCCCCCC(O)CCCCC(=O)O MCULE-1514435932 [0,2,0,0,0,0|0,0,0]=2 640 B14R0.80 CCCCCCCCC(CO)CCCC MCULE-6590076646 [0,2,0,0,0,0|1,0,1]=4 641 B14R0.179 CCCCCCCCS(=O)CCCCO MCULE-8423512440 [0,2,0,0,0,0|0,0,2]=4 642 B14R0.197 CCC(O)CCCCCCCC(O)CC MCULE-7817304037 [0,2,0,0,0,0|1,0,1]=4 643 B14R0.145 CCCCCCCC(O)CCCCCC MCULE-4019916999 [0,2,0,0,0,0|1,0,1]=4 644 B14R0.953 CCCCCCC(CO)CCCCCC MCULE-2769829277 [0,2,0,0,0,0|1,0,1]=4 645 B14R0.392 C#CCCCCCCCCCCCCC MCULE-5224279000 [0,2,0,0,0,0|1,0,1]=4 646 B14R0.392 C(=CCCCCCCCCO)CCCC MCULE-7344947468 [0,2,0,0,0,0|0,0,2]=4 647 B14R0.392 C=CCCCC=CCNCCCCCC MCULE-2183079124 [0,2,0,0,0,0|1,0,1]=4 648 B14R0.392 C=CCCCCCCCC#CCCCC MCULE-2827748131 [0,2,0,0,0,0|1,0,0]=3 649 B14R0.392 C=CCCCCCCCCCCCCBr MCULE-4861537594 [0,2,0,0,0,0|1,0,0]=3 650 B14R0.392 C=CCCCCCCCCCCCCC MCULE-8648825393 [0,2,0,0,0,0|1,0,0]=3 651 B14R0.392 C=CCCCCCCCCCCCCO MCULE-4486162306 [0,2,0,0,0,0|1,0,0]=3 652 B14R0.392 C=COCCCCCCCCCCCC MCULE-1459857080 [0,2,0,0,0,0|1,0,0]=3 653 B14R0.392 CC/C=C/CCCCCCCCCC=O MCULE-2385351310 [0,2,0,0,0,0|0,0,0]=2 654 B14R0.392 CC/C=C/CCCCCCCCCCO MCULE-6147260229 [0,2,0,0,0,0|0,0,2]=4 655 B14R0.392 CC/C=C\CCCCCCCCCCO MCULE-2734666708 [0,2,0,0,0,0|0,0,2]=4 656 B14R0.392 CCC#CCCCCCCCCCCO MCULE-8364905746 [0,2,0,0,0,0|0,0,2]=4 657 B14R0.392 CCC=CCCCCCCCCCC=O MCULE-2282950568 [0,2,0,0,0,0|0,0,0]=2 658 B14R0.392 CCC=CCCCCCCCCCCO MCULE-6860357182 [0,2,0,0,0,0|0,0,2]=4 659 B14R0.392 CCCC/C=C\CCCCCCCCO MCULE-2201463992 [0,2,0,0,0,0|0,0,2]=4 660 B14R0.392 CCCCCCC=CCCCCCC=O MCULE-7363296204 [0,2,0,0,0,0|0,0,0]=2 661 B14R0.392 CCCCCCCC/C=C/CCCCO MCULE-8626799878 [0,2,0,0,0,0|0,0,2]=4 662 B14R0.392 CCCCCCCC/C=C\CCCCO MCULE-7811688274 [0,2,0,0,0,0|0,0,2]=4 663 B14R0.392 CCCCCCCCC=CCCCCO MCULE-3595383050 [0,2,0,0,0,0|0,0,2]=4 664 B14R0.392 CCCCCCCCCCC#CCCO MCULE-7991598519 [0,2,0,0,0,0|0,0,2]=4 665 B14R0.392 CCCCCCCCCCCCCC#N MCULE-7152326235 [0,2,0,0,0,0|1,0,1]=4 666 B14R0.392 CCCCCCCCCCCCCC=O MCULE-7550121675 [0,2,0,0,0,0|0,0,0]=2 667 B14R0.392 CCCCCCCCCCCCCCBr MCULE-9737491714 [0,2,0,0,0,0|1,0,1]=4 668 B14R0.392 CCCCCCCCCCCCCCC MCULE-1292711626 [0,2,0,0,0,0|1,0,1]=4 669 B14R0.392 CCCCCCCCCCCCCCCl MCULE-4738230795 [0,2,0,0,0,0|1,0,1]=4 670 B14R0.392 CCCCCCCCCCCCCCF MCULE-9767518415 [0,2,0,0,0,0|1,0,1]=4 671 B14R0.392 CCCCCCCCCCCCCCN MCULE-8592595177 [0,2,0,0,0,0|1,0,1]=4 672 B14R0.392 CCCCCCCCCCCCCCO MCULE-8719320111 [0,2,0,0,0,0|0,0,2]=4 673 B14R0.392 CCCCCCCCCCCCCCS MCULE-5679876747 [0,2,0,0,0,0|0,1,1]=4 674 B14R0.392 CCCCCCCCCCCCC[NH2+]C MCULE-4777104073 [0,2,0,0,0,0|1,0,1]=4 675 B14R0.392 CCCCCCCCCCCCC[NH2+]C MCULE-6540647325 [0,2,0,0,0,0|1,0,1]=4 676 B14R0.392 CCCCCCCCCCCCN=C=O MCULE-6525738732 [0,2,0,0,0,0|0,0,1]=3 677 B14R0.392 CCCCCCCCCCCCN=C=S MCULE-5639549655 [0,2,0,0,0,0|0,1,1]=4 678 B14R0.392 CCCCCCCCCCCCN=N#N MCULE-4906434307 [0,2,0,0,0,0|1,0,1]=4 679 B14R0.392 CCCCCCCCCCCCNC=O MCULE-2685945212 [0,2,0,0,0,0|0,0,0]=2 680 B14R0.392 CCCCCCCCCCCCNCC MCULE-6669418249 [0,2,0,0,0,0|1,0,1]=4 681 B14R0.392 CCCCCCCCCCCCOC=O MCULE-6493174878 [0,2,0,0,0,0|0,0,0]=2 682 B14R0.392 CCCCCCCCCCCCSC#N MCULE-1758849726 [0,2,0,0,0,0|0,1,1]=4 683 B14R0.392 CCCCCCCCCCCCSCC MCULE-3847929623 [0,2,0,0,0,0|0,1,1]=4 684 B14R0.392 CCCCCCCCCCCNCCC MCULE-2740020624 [0,2,0,0,0,0|1,0,1]=4 685 B14R0.392 CCCCCCCCCCCOCCO MCULE-9070806750 [0,2,0,0,0,0|0,0,2]=4 686 B14R0.392 CCCCCCCCCCOCCC#N MCULE-1226038227 [0,2,0,0,0,0|1,0,1]=4 687 B14R0.392 CCCCCCCCCCOCCCN MCULE-5521116196 [0,2,0,0,0,0|1,0,1]=4 688 B14R0.392 CCCCCCCCCCOCCC[NH3+] MCULE-4032173132 [0,2,0,0,0,0|1,0,1]=4 689 B14R0.392 CCCCCCCCCCSCCCO MCULE-8768496784 [0,2,0,0,0,0|0,0,2]=4 690 B14R0.392 CCCCCCCCCNCCCCC MCULE-6073560034 [0,2,0,0,0,0|1,0,1]=4 691 B14R0.392 CCCCCCCCC[NH2+]CCCCC MCULE-8442579178 [0,2,0,0,0,0|1,0,1]=4 692 B14R0.392 CCCCCCCCNCCCCCC MCULE-1148069991 [0,2,0,0,0,0|1,0,1]=4 693 B14R0.392 CCCCCCCCOCCOCCO MCULE-1601729359 [0,2,0,0,0,0|0,0,2]=4 694 B14R0.392 CCCCCCCCOCCOCCS MCULE-5307480315 [0,2,0,0,0,0|0,1,1]=4 695 B14R0.392 CCCCCCCCSCCOCCO MCULE-7061985127 [0,2,0,0,0,0|0,0,2]=4 696 B14R0.392 CCCCCCCNCCCCCCC MCULE-8281252980 [0,2,0,0,0,0|1,0,1]=4 697 B14R0.392 CCCCCCCOCCCCCCC MCULE-7411737646 [0,2,0,0,0,0|1,0,1]=4 698 B14R0.392 CCCCCCCSCCCCCCC MCULE-8546717040 [0,2,0,0,0,0|1,0,1]=4 699 B14R0.392 COCCOCCOCCOCCC=O MCULE-7590590810 [0,2,0,0,0,0|2,0,0]=4 700 B14R0.392 N#N=NCCCCCCCCCCCN MCULE-4131004907 [0,2,0,0,0,0|2,0,0]=4 701 B14R0.392 N#N=NCCCCCCCCCCCN MCULE-9991900814 [0,2,0,0,0,0|2,0,0]=4 702 B14R0.392 N#N=NCCCCCCCCCCCO MCULE-8568799445 [0,2,0,0,0,0|2,0,0]=4 703 B14R0.392 NCCCCCCNCCCCCCN MCULE-5837499572 [0,2,0,0,0,0|1,0,1]=4 704 B14R0.392 OCCCCCCCCCCCCCBr MCULE-1397457487 [0,2,0,0,0,0|0,0,2]=4 705 B14R0.392 OCCCCCCCCCCCCCO MCULE-9763203178 [0,2,0,0,0,0|0,0,2]=4 706 B14R0.392 [NH2+](CC)CCCCCCCCCCCC MCULE-2677553062 [0,2,0,0,0,0|1,0,1]=4 707 B14R0.392 [NH2+](CCC)CCCCCCCCCCC MCULE-1566613456 [0,2,0,0,0,0|1,0,1]=4 708 B14R0.86 CCCCCCCC(CO)CCCCC MCULE-4872542418 [0,2,0,0,0,0|1,0,1]=4 709 B12R1.8 BrCCCCCN1CCCCC1 MCULE-3804322574 [1,0,0,1,0,0|2,0,0]=4 710 B12R1.8 BrCCCCCN1CCCCC1 MCULE-4019879158 [1,0,0,1,0,0|2,0,0]=4 711 B12R1.8 BrCCCCOC1CCCCC1 MCULE-5833376984 [1,0,0,1,0,0|2,0,0]=4 712 B12R1.8 C=CCCCCC1CCCCC1 MCULE-1420996147 [1,0,0,1,0,0|0,0,1]=3 713 B12R1.8 CCCCCCC1CCCCC1 MCULE-5596413302 [1,0,0,1,0,0|0,0,1]=3 714 B12R1.8 CCCCCCC1CCCCN1 MCULE-4953489742 [1,0,0,1,0,0|1,0,0]=3 715 B12R1.8 CCCCCCC1CCCCN1 MCULE-7758843685 [1,0,0,1,0,0|1,0,0]=3 716 B12R1.8 CCCCCCC1CCCNC1 MCULE-3360628584 [1,0,0,1,0,0|1,0,1]=4 717 B12R1.8 CCCCCCC1CCCNC1 MCULE-4345567859 [1,0,0,1,0,0|1,0,1]=4 718 B12R1.8 CCCCCCC1CCNCC1 MCULE-4909056113 [1,0,0,1,0,0|1,0,1]=4 719 B12R1.8 CCCCCCC1CCNCC1 MCULE-5114194414 [1,0,0,1,0,0|1,0,1]=4 720 B12R1.8 CCCNCCC1=CCCCC1 MCULE-5403673634 [1,0,0,1,0,0|1,0,1]=4 721 B12R1.8 CCCNCCC1=CCCCC1 MCULE-7022123980 [1,0,0,1,0,0|1,0,1]=4 722 B12R1.8 CCCOCCC1CCCCN1 MCULE-3027895137 [1,0,0,1,0,0|2,0,0]=4 723 B12R1.8 CCCOCCC1CCCCN1 MCULE-9164772502 [1,0,0,1,0,0|2,0,0]=4 724 B12R1.8 NCCCCCN1CCCCC1 MCULE-3062074306 [1,0,0,1,0,0|2,0,0]=4 725 B12R1.8 OCCCCCN1CCCCC1 MCULE-3016698326 [1,0,0,1,0,0|1,0,1]=4 726 B12R1.8 OCCCCNC1CCCCC1 MCULE-2543962577 [1,0,0,1,0,0|1,0,1]=4 727 B12R1.8 OCCCNCC1CCCCC1 MCULE-2206880526 [1,0,0,1,0,0|1,0,1]=4 728 B12R1.8 OCCCOCC1CCCCC1 MCULE-5047368988 [1,0,0,1,0,0|1,0,1]=4 729 B12R1.18 CCCCN1CCCCCC1=O MCULE-2860927768 [1,0,0,1,0,0|1,0,0]=3 730 B12R1.18 CCCCN1CCNCCC1=O MCULE-5173759883 [1,0,0,1,0,0|2,0,0]=4 731 B12R1.18 NCCCN1CCCCCC1=O MCULE-7534720301 [1,0,0,1,0,0|2,0,0]=4 732 B12R1.18 NCCCN1CCCCCC1=O MCULE-7641696435 [1,0,0,1,0,0|2,0,0]=4 733 B12R1.37 BrCCCCCCN1CCCC1 MCULE-4598709250 [1,0,0,1,0,0|2,0,0]=4 734 B12R1.37 BrCCCCCCN1CCCC1 MCULE-9859730923 [1,0,0,1,0,0|2,0,0]=4 735 B12R1.37 CCCCCCCC1OCCO1 MCULE-9440265689 [1,0,0,1,0,0|1,0,1]=4 736 B12R1.37 CCCCCCNC1CCCC1 MCULE-1957642519 [1,0,0,1,0,0|1,0,1]=4 737 B12R1.37 NCCCCCCN1CCCC1 MCULE-2542705076 [1,0,0,1,0,0|2,0,0]=4 738 B12R1.37 NCCCCCCN1CCCC1 MCULE-3377761564 [1,0,0,1,0,0|2,0,0]=4 739 B12R1.52 CCOC1CCCCCCC1N MCULE-9132533980 [1,0,0,1,0,0|2,0,0]=4 740 B12R1.121 CCC1CCCCC1OCCO MCULE-2333871269 [1,0,0,1,0,0|1,0,1]=4 741 B12R1.121 CCC1CCCCN1CCCN MCULE-4667666773 [1,0,0,1,0,0|2,0,0]=4 742 B12R1.121 CCCCN1CCCCC1CN MCULE-6345040942 [1,0,0,1,0,0|2,0,0]=4 743 B12R1.169 CCCN1CCCCC1CCCl MCULE-7356825162 [1,0,0,1,0,0|2,0,0]=4 744 B12R1.215 O=C1CCNCCCCCCN1 MCULE-1263100451 [1,0,0,1,0,0|2,0,0]=4 745 B12R1.267 CC1CCCCN1CCCCN MCULE-8278798662 [1,0,0,1,0,0|2,0,0]=4 746 B12R1.267 CCCCC=C1CCCCC1=O MCULE-6881426714 [1,0,0,1,0,0|0,0,2]=4 747 B12R1.267 CCCCCC1CCCCC1=O MCULE-3162873716 [1,0,0,1,0,0|0,0,0]=2 748 B12R1.267 NCCCCN1CCCCC1=O MCULE-5609841049 [1,0,0,1,0,0|2,0,0]=4 749 B12R1.267 O=C1CCCCC1CNCCBr MCULE-7462371251 [1,0,0,1,0,0|2,0,0]=4 750 B12R1.267 O=C1CCCCC1CNCCBr MCULE-8159055342 [1,0,0,1,0,0|2,0,0]=4 751 B12R1.329 C=CCNC1CCCCCCC1 MCULE-4436940732 [1,0,0,1,0,0|1,0,1]=4 752 B12R1.329 C=CCNC1CCCCCCC1 MCULE-7467999336 [1,0,0,1,0,0|1,0,1]=4 753 B12R1.372 CCCCCCC1=CCCC1=O MCULE-1287633510 [1,0,0,1,0,0|0,0,2]=4 754 B12R1.372 CCCCCCC1CCCC1=O MCULE-9980064191 [1,0,0,1,0,0|0,0,0]=2 755 B12R1.372 CCCCCCC1CCOC1=O MCULE-7489729502 [1,0,0,1,0,0|1,0,0]=3 756 B12R1.372 CCCCCCN1CCCC1=O MCULE-1097521229 [1,0,0,1,0,0|1,0,0]=3 757 B12R1.375 CCCCCCCCC[C@@H]1CO1 MCULE-1904651720 [1,0,0,1,0,0|0,0,1]=3 758 B12R1.375 CCCCCCCOC[C@H]1CO1 MCULE-6928162982 [1,0,0,1,0,0|1,0,1]=4 759 B12R1.410 CNC1CCCCCCCCC1 MCULE-9906028937 [1,0,0,1,0,0|1,0,1]=4 760 B12R1.550 C1=CCCCCCCCCCC1 MCULE-7809911769 [1,0,0,1,0,0|0,0,1]=3 761 B12R1.550 C1=CCCCCCCCCCC1 MCULE-9211992042 [1,0,0,1,0,0|0,0,1]=3 762 B12R1.550 C1CCCCCCCCCCC1 MCULE-7420288531 [1,0,0,1,0,0|0,0,1]=3 763 B12R1.1414 C=CCCCC1CCCCCC1 MCULE-7969593113 [1,0,0,1,0,0|0,0,1]=3 764 B12R1.1414 CCCCNC1CCCCCC1 MCULE-8285970772 [1,0,0,1,0,0|1,0,1]=4 765 B12R1.1414 CCCCNC1CCCCCC1 MCULE-8620106588 [1,0,0,1,0,0|1,0,1]=4 766 B12R1.1414 NCCCCN1CCCCCC1 MCULE-4655046662 [1,0,0,1,0,0|2,0,0]=4 767 B12R1.1414 NCCCCN1CCCCCC1 MCULE-8510990715 [1,0,0,1,0,0|2,0,0]=4 768 B12R1.1414 OCCCCN1CCCCCC1 MCULE-6965728729 [1,0,0,1,0,0|1,0,1]=4 769 B12R1.1414 OCCCOC1CCCCCC1 MCULE-9402583694 [1,0,0,1,0,0|1,0,1]=4 770 B14R1.26 CCCCCCCC1CCCC(=O)O1 MCULE-4837230476 [0,1,0,1,0,0|0,0,0]=2 771 B14R1.26 N#CCCCCCC1CCCC(=O)C1 MCULE-8205747806 [0,1,0,1,0,0|1,0,1]=4 772 B14R1.40 CCCCCCCCCC1OCCO1 MCULE-6985905845 [0,1,0,1,0,0|0,0,2]=4 773 B14R1.216 CCCCCCCCC1CCCC1=O MCULE-7970611652 [0,1,0,1,0,0|0,0,0]=2 774 B14R1.216 CCCCCCCCC1CCCC1N MCULE-3296053087 [0,1,0,1,0,0|1,0,1]=4 775 B14R1.216 CCCCCCCCC1CCCC1N MCULE-4887341639 [0,1,0,1,0,0|1,0,1]=4 776 B14R1.216 CCCCCCCCC1CCNC1=O MCULE-8169921256 [0,1,0,1,0,0|0,0,0]=2 777 B14R1.216 CCCCCCCCN1CCCC1=O MCULE-8809059739 [0,1,0,1,0,0|0,0,0]=2 778 B14R1.216 CCCCCCCCN1CCOC1=O MCULE-6991317211 [0,1,0,1,0,0|1,0,0]=3 779 B14R1.230 CCCCCCCCC[C@H]1O[C@@H]1CO MCULE-5540109111 [0,1,0,1,0,0|0,0,2]=4 780 B14R1.598 CCOC(=O)CCC1CCCCC1=O MCULE-9517495940 [0,1,0,1,0,0|1,0,1]=4 781 B14R1.622 CCOC(=O)C1CCCCCCC1=O MCULE-8587458168 [0,1,0,1,0,0|1,0,1]=4 782 B14R1.4408 O=C1CCCCCCCCCCCN1 MCULE-1851658645 [0,1,0,1,0,0|0,0,0]=2 783 B14R1.4408 O=C1CCCCCCCCCCCO1 MCULE-9380541113 [0,1,0,1,0,0|0,0,0]=2 784 B14R1.122 CCCCCCCCC1C=CC(=O)O1 MCULE-5943669264 [0,1,0,1,0,0|0,0,2]=4 785 B14R1.122 CCCCCCCCC1CCC(=O)O1 MCULE-7923543295 [0,1,0,1,0,0|0,0,0]=2 786 B14R1.122 CCCCCCCC[C@H]1CCC(=O)O1 MCULE-9283902739 [0,1,0,1,0,0|0,0,0]=2 787 B14R1.159 CC1CCCCN1CCCCC(=O)O MCULE-6634961753 [0,1,0,1,0,0|1,0,0]=3 788 B14R1.159 CC1CCCCN1CCCCC(=O)O MCULE-7902887603 [0,1,0,1,0,0|1,0,0]=3 789 B14R1.221 CCCCCCCCCCCC1CO1 MCULE-9201050634 [0,1,0,1,0,0|0,0,2]=4 790 B14R1.269 CCCC1CCCCCC1NC(=O)C MCULE-1926366330 [0,1,0,1,0,0|1,0,0]=3 791 B14R1.422 CC(=O)OCCCCC1CCCCN1 MCULE-5119546001 [0,1,0,1,0,0|2,0,0]=4 792 B14R1.422 O=C(O)CCCCCC1CCCCC1 MCULE-7467581189 [0,1,0,1,0,0|0,0,0]=2 793 B14R1.422 O=C(O)CCCCCN1CCCCC1 MCULE-8688134792 [0,1,0,1,0,0|1,0,0]=3 794 B14R1.422 O=C(O)CCCCCN1CCOCC1 MCULE-6803434014 [0,1,0,1,0,0|2,0,0]=4 795 B14R1.422 O=C(O)CCCCOC1CCCCO1 MCULE-9542624487 [0,1,0,1,0,0|2,0,0]=4 796 B14R1.1252 CCCCCCC1CCCCC(=O)N1 MCULE-8020444927 [0,1,0,1,0,0|0,0,0]=2 797 B14R1.4728 CCCCCCCCC1CC1C(=O)N MCULE-3980615271 [0,1,0,1,0,0|0,0,0]=2 798 B14R1.4728 CCCCCCCCC1CC1C(=O)O MCULE-6572964179 [0,1,0,1,0,0|0,0,0]=2 799 B14R1.4972 CC1(CCCCCCCCCCC1)O MCULE-6571841065 [0,1,0,1,0,0|0,0,2]=4 800 B14R1.6388 O=C(O)CCCCCCCCC1CC1 MCULE-4957612029 [0,1,0,1,0,0|0,0,0]=2 801 B14R1.123 C=CCCCOCCC1CCCCN1 MCULE-1429825542 [0,1,0,1,0,0|2,0,0]=4 802 B14R1.123 C=CCCCOCCC1CCCCN1 MCULE-6514191290 [0,1,0,1,0,0|2,0,0]=4 803 B14R1.123 C=CCCCOCCC1CCCNC1 MCULE-3412376716 [0,1,0,1,0,0|2,0,0]=4 804 B14R1.123 C=CCCCOCCC1CCCNC1 MCULE-5106152878 [0,1,0,1,0,0|2,0,0]=4 805 B14R1.123 C=CCCCOCCC1CCNCC1 MCULE-2026229189 [0,1,0,1,0,0|2,0,0]=4 806 B14R1.123 C=CCCCOCCC1CCNCC1 MCULE-4961961959 [0,1,0,1,0,0|2,0,0]=4 807 B14R1.123 CCCCCCCCC1CCCCC1 MCULE-9507507212 [0,1,0,1,0,0|1,0,1]=4 808 B14R1.123 CCCCCCCCN1CCCCC1 MCULE-3647720273 [0,1,0,1,0,0|1,0,1]=4 809 B14R1.123 CCCCCCCC[NH+]1CCCCC1 MCULE-7518244228 [0,1,0,1,0,0|1,0,1]=4 810 B14R1.123 CCCCCCCNC1CCCCC1 MCULE-2501584357 [0,1,0,1,0,0|1,0,1]=4 811 B14R1.123 CCCCCOCCC1CCCCN1 MCULE-6720313151 [0,1,0,1,0,0|1,0,1]=4 812 B14R1.123 CCCCCOCCC1CCCCN1 MCULE-9138242261 [0,1,0,1,0,0|1,0,1]=4 813 B14R1.123 CCCCCOCCC1CCCNC1 MCULE-3233101091 [0,1,0,1,0,0|2,0,0]=4 814 B14R1.123 CCCCCOCCC1CCCNC1 MCULE-5217465953 [0,1,0,1,0,0|2,0,0]=4 815 B14R1.123 CNCCCCCCN1CCCCC1 MCULE-7827868443 [0,1,0,1,0,0|2,0,0]=4 816 B14R1.123 NCCCCCCCN1CCCCC1 MCULE-6865280177 [0,1,0,1,0,0|1,0,1]=4 817 B14R1.123 O=CCCCCCOC1CCCCC1 MCULE-9855648849 [0,1,0,1,0,0|0,0,0]=2 818 B14R1.123 OCCCCNCCC1C=CCCC1 MCULE-9266328741 [0,1,0,1,0,0|2,0,0]=4 819 B14R1.882 CCCCCCC=C1CCCCC1=O MCULE-7594121913 [0,1,0,1,0,0|0,0,1]=3 820 B14R1.882 CCCCCCCC1CCCCC1O MCULE-6870509580 [0,1,0,1,0,0|0,0,2]=4 821 B14R1.247 CC1CCCCCCCCCCC1=O MCULE-3023877204 [0,1,0,1,0,0|0,0,0]=2 822 B14R1.247 O=C1CCCCCCCCCCC1Br MCULE-2954229808 [0,1,0,1,0,0|0,0,0]=2 823 B14R1.247 O=C1CCCCCCCCCCC1Cl MCULE-3762267711 [0,1,0,1,0,0|0,0,0]=2 824 B14R1.247 OC1CCCCCCCCCCC1O MCULE-2416774599 [0,1,0,1,0,0|0,0,2]=4 825 B14R1.247 O[C@@H]1CCCCCCCCCC[C@H]1O MCULE-5428629079 [0,1,0,1,0,0|0,0,2]=4 826 B14R1.247 O[C@H]1CCCCCCCCCC[C@@H]1O MCULE-4103242658 [0,1,0,1,0,0|0,0,2]=4 827 B14R1.845 CNC1CCCCCCCCCCC1 MCULE-1344782660 [0,1,0,1,0,0|1,0,1]=4 828 B14R1.845 OCC1CCCCCCCCCCC1 MCULE-2924050265 [0,1,0,1,0,0|0,0,2]=4 829 B14R1.845 ON=C1CCCCCCCCCCC1 MCULE-6777210096 [0,1,0,1,0,0|0,0,1]=3 830 B14R1.62 CCCCCCCC1CCCC1=NO MCULE-7524060431 [0,1,0,1,0,0|0,0,1]=3 831 B14R1.62 CCCCCCCC\1CCC/C1=N/O MCULE-9956165606 [0,1,0,1,0,0|0,0,1]=3 832 B14R1.62 CCCCCCCC\1CCC/C1=N\O MCULE-6607576593 [0,1,0,1,0,0|0,0,1]=3 833 B14R1.476 CCC1CCCCN1CCCCCN MCULE-4246279508 [0,1,0,1,0,0|1,0,1]=4 834 B14R1.476 CCCCCCC1CCCCC1=NO MCULE-6968797706 [0,1,0,1,0,0|0,0,1]=3 835 B14R1.476 CCCCCCC\1CCCC/C1=N/O MCULE-9076847941 [0,1,0,1,0,0|0,0,1]=3 836 B14R1.2352 NCCCCCCN1CCCCCC1 MCULE-2975533618 [0,1,0,1,0,0|1,0,1]=4 837 B14R1.169 CCCCCCCC(O)C1CCCC1 MCULE-7817074282 [0,1,0,1,0,0|1,0,1]=4 838 B14R2.6 C1CCC(CC1)CC2CCCCN2 MCULE-9786580149 [0,0,0,2,0,0|1,0,1]=4 839 B14R2.24 NC1CCCCC1C2CCCCC2 MCULE-4239727141 [0,0,0,2,0,0|1,0,1]=4 840 B14R2.24 O=C1CCCCC1=C2CCCCC2 MCULE-9185380602 [0,0,0,2,0,0|0,0,2]=4 841 B14R2.24 O=C1CCCCC1C2=CCCCC2 MCULE-5216294937 [0,0,0,2,0,0|0,0,2]=4 842 B14R2.24 O=C1CCCCC1C2CCCCC2 MCULE-2773584527 [0,0,0,2,0,0|0,0,0]=2 843 B14R2.24 O=C1CCCCC1C2COCCN2 MCULE-3906215708 [0,0,0,2,0,0|2,0,0]=4 844 B14R2.24 O=C1CCCCC1N2CCCCC2 MCULE-8024132141 [0,0,0,2,0,0|1,0,0]=3 845 B14R2.24 O=C1CCCCC1N2CCCCC2 MCULE-9286675226 [0,0,0,2,0,0|1,0,0]=3 846 B14R2.24 O=C1CCCCC1N2CCSCC2 MCULE-5562255191 [0,0,0,2,0,0|2,0,0]=4 847 B14R2.24 O=C1CCCCN1C2CCCCC2 MCULE-3516607342 [0,0,0,2,0,0|1,0,0]=3 848 B14R2.24 O=C1CCCCN1C2CCCNC2 MCULE-4793398982 [0,0,0,2,0,0|2,0,0]=4 849 B14R2.24 O=C1CCCCN1C2CCCNC2 MCULE-6538828459 [0,0,0,2,0,0|2,0,0]=4 850 B14R2.24 O=C1CCCCN1C2CCCNC2 MCULE-8894085473 [0,0,0,2,0,0|2,0,0]=4 851 B14R2.24 O=C1CCCCN1C2CCNCC2 MCULE-6290197755 [0,0,0,2,0,0|2,0,0]=4 852 B14R2.24 O=C1CCCCN1C2CCNCC2 MCULE-9765342023 [0,0,0,2,0,0|2,0,0]=4 853 B14R2.24 O=C1CCCCN1[C@@H]2CCCNC2 MCULE-3494195879 [0,0,0,2,0,0|2,0,0]=4 854 B14R2.24 O=C1CCCCN1[C@@H]2CCCNC2 MCULE-5883021680 [0,0,0,2,0,0|2,0,0]=4 855 B14R2.24 O=C1CCCCN1[C@H]2CCCNC2 MCULE-2350759765 [0,0,0,2,0,0|2,0,0]=4 856 B14R2.24 O=C1CCCCN1[C@H]2CCCNC2 MCULE-2982768317 [0,0,0,2,0,0|2,0,0]=4 857 B14R2.24 O=C1CNCCN1C2CCCCC2 MCULE-5087583932 [0,0,0,2,0,0|2,0,0]=4 858 B14R2.24 O=C1CNCCN1C2CCCCC2 MCULE-5990045004 [0,0,0,2,0,0|2,0,0]=4 859 B14R2.24 O=C1CNCCN1C2CCCCC2 MCULE-8167788020 [0,0,0,2,0,0|2,0,0]=4 860 B14R2.24 O=C1NCCCC1N2CCCCC2 MCULE-2691320919 [0,0,0,2,0,0|2,0,0]=4 861 B14R2.24 OC1CCCCC1C2CCCCC2 MCULE-1662173664 [0,0,0,2,0,0|0,0,2]=4 862 B14R2.30 O=C1CCCN1CC2CCCCN2 MCULE-1556833661 [0,0,0,2,0,0|2,0,0]=4 863 B14R2.30 O=C1CCCN1CC2CCCCN2 MCULE-2441001441 [0,0,0,2,0,0|2,0,0]=4 864 B14R2.30 O=C1CCCN1CC2CCCNC2 MCULE-8970175387 [0,0,0,2,0,0|2,0,0]=4 865 B14R2.30 O=C1CCCN1CC2CCNCC2 MCULE-4256973925 [0,0,0,2,0,0|2,0,0]=4 866 B14R2.30 O=C1CCCN1CC2CCNCC2 MCULE-8454577255 [0,0,0,2,0,0|2,0,0]=4 867 B14R2.101 C1CCC(CC1)CCC2CCCN2 MCULE-5656613053 [0,0,0,2,0,0|1,0,1]=4 868 B14R2.101 C1CCC(CC1)CCC2CCNC2 MCULE-6848219554 [0,0,0,2,0,0|2,0,0]=4 869 B14R2.381 O=C1NCCCNC12CCCCC2 MCULE-6457907172 [0,0,0,2,0,0|2,0,0]=4 870 B14R2.1253 C1CCC(CC1)C2CCCCCN2 MCULE-3494035527 [0,0,0,2,0,0|1,0,1]=4 871 B14R2.1253 C1CCC(CC1)C2CCCCCN2 MCULE-8155129150 [0,0,0,2,0,0|1,0,1]=4 872 B14R2.1253 C1CCCC(CC1)C2CCCNC2 MCULE-7855041231 [0,0,0,2,0,0|2,0,0]=4 873 B14R2.112 O=COC1CCC2CCCCC2C1 MCULE-6169817641 [0,0,0,2,0,0|1,0,0]=3 874 B14R2.279 [C@@H]12CCCC(=O)N([C@@H]1CCNC2)C MCULE-1320307787 [0,0,0,2,0,0|2,0,0]=4 875 B14R2.279 [C@H]12CCCC(=O)N([C@@H]1CCNC2)C MCULE-9826864252 [0,0,0,2,0,0|2,0,0]=4 876 B14R2.50 NC1CCCCC1CC2CCCC2 MCULE-4258139004 [0,0,0,2,0,0|1,0,1]=4 877 B14R2.50 O=C1CCCCC1CN2CCCC2 MCULE-3091610681 [0,0,0,2,0,0|1,0,0]=3 878 B14R2.50 O=C1CNCCN1CC2CCCC2 MCULE-7433558515 [0,0,0,2,0,0|2,0,0]=4 879 B14R2.57 O=CCC1CCCCC12OCCO2 MCULE-6000799032 [0,0,0,2,0,0|2,0,0]=4 880 B14R2.167 CCN1CCCC12CCCNC2=O MCULE-9133834850 [0,0,0,2,0,0|2,0,0]=4 881 B14R2.397 [C@H]12CCCCC(=O)N([C@@H]1CCN2)C MCULE-7506189168 [0,0,0,2,0,0|2,0,0]=4 882 B14R2.2841 C1CCCCCC2OC2CCCC1 MCULE-8681869919 [0,0,0,2,0,0|0,0,2]=4 883 B14R2.203 [C@H]12CCNC[C@H]1CCC(=O)N2CC MCULE-8910906322 [0,0,0,2,0,0|2,0,0]=4 884 B14R2.293 C[C@@H]1NCCC[C@]12CCCNC2=O MCULE-1770865070 [0,0,0,2,0,0|2,0,0]=4 885 B14R2.293 C[C@@H]1NCCC[C@]12CCCNC2=O MCULE-4178722284 [0,0,0,2,0,0|2,0,0]=4 886 B14R2.293 C[C@H]1NCCC[C@]12CCCNC2=O MCULE-3525042266 [0,0,0,2,0,0|2,0,0]=4 887 B14R2.293 C[C@H]1NCCC[C@]12CCCNC2=O MCULE-5764600274 [0,0,0,2,0,0|2,0,0]=4 888 B14R2.5202 O=C1CCCC1C2CCCCCN2 MCULE-5137638274 [0,0,0,2,0,0|1,0,0]=3 889 B14R2.5202 O=C1CCCN1C2CCCNCC2 MCULE-6102694249 [0,0,0,2,0,0|2,0,0]=4