0 B7R0.1 BrCCCCCCBr MCULE-5187406804 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.1 BrCCSSCCBr MCULE-6795645587 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.1 C#CCCCCCO MCULE-2909503471 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 C#CCOCCCO MCULE-2600818859 [0,0,0,0,0,0|2,1,1]=4 4 B7R0.1 C=CCC#CCCO MCULE-2960075392 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.1 C=CCCCCCO MCULE-1200112990 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 C=CCCNCCO MCULE-8357008337 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 C=CCCOCCO MCULE-5369849290 [0,0,0,0,0,0|2,1,1]=4 8 B7R0.1 C=CCCSCCN MCULE-5541844264 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 C=CCSCCCC MCULE-4868736488 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.1 C=CCSSCC=C MCULE-7486690483 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.1 C=CCSSCCC MCULE-1309818617 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.1 CC/C=C\CCCO MCULE-7890119012 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.1 CCC/C=C/CCC MCULE-4580411068 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.1 CCC/C=C\CCC MCULE-3832748741 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.1 CCC=CCCCO MCULE-9620732691 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.1 CCCC#CCCC MCULE-7777692011 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.1 CCCC#CCCO MCULE-7581204382 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.1 CCCC/C=C/CO MCULE-5404793542 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.1 CCCC=CCCC MCULE-6897310592 [0,0,0,0,0,0|4,0,0]=4 20 B7R0.1 CCCC=CCCCl MCULE-5580394901 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.1 CCCCC#CCO MCULE-9057096480 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.1 CCCCC=CCO MCULE-7891403223 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.1 CCCCCCCBr MCULE-8042829299 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.1 CCCCCCCC MCULE-3248084959 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.1 CCCCCCCCl MCULE-6286146566 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.1 CCCCCCCF MCULE-9794868174 [0,0,0,0,0,0|4,0,0]=4 27 B7R0.1 CCCCCCCI MCULE-2930393920 [0,0,0,0,0,0|4,0,0]=4 28 B7R0.1 CCCCCCCN MCULE-1126747714 [0,0,0,0,0,0|4,0,0]=4 29 B7R0.1 CCCCCCCO MCULE-5882959353 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.1 CCCCCCCS MCULE-3901364910 [0,0,0,0,0,0|3,1,0]=4 31 B7R0.1 CCCCCCNO MCULE-4175875706 [0,0,0,0,0,0|4,0,0]=4 32 B7R0.1 CCCCCCNO MCULE-8719557426 [0,0,0,0,0,0|4,0,0]=4 33 B7R0.1 CCCCNCCC MCULE-6342731867 [0,0,0,0,0,0|4,0,0]=4 34 B7R0.1 CCCCNCCN MCULE-3865190511 [0,0,0,0,0,0|4,0,0]=4 35 B7R0.1 CCCCNCCO MCULE-3582031814 [0,0,0,0,0,0|3,0,0]=3 36 B7R0.1 CCCCNCCS MCULE-6926403617 [0,0,0,0,0,0|3,1,0]=4 37 B7R0.1 CCCCOCCBr MCULE-5314812532 [0,0,0,0,0,0|3,1,0]=4 38 B7R0.1 CCCCOCCCl MCULE-9147804479 [0,0,0,0,0,0|3,1,0]=4 39 B7R0.1 CCCCOCCI MCULE-3571589392 [0,0,0,0,0,0|3,1,0]=4 40 B7R0.1 CCCCOCCN MCULE-1817743996 [0,0,0,0,0,0|3,1,0]=4 41 B7R0.1 CCCCOCCN MCULE-3658840205 [0,0,0,0,0,0|3,1,0]=4 42 B7R0.1 CCCCOCCO MCULE-1727546427 [0,0,0,0,0,0|2,1,0]=3 43 B7R0.1 CCCCOCCO MCULE-4417721312 [0,0,0,0,0,0|2,1,0]=3 44 B7R0.1 CCCCOCCS MCULE-7419398753 [0,0,0,0,0,0|2,2,0]=4 45 B7R0.1 CCCCSCC#N MCULE-9529960668 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.1 CCCCSCCC MCULE-3137952516 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.1 CCCCSCCN MCULE-3521818954 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.1 CCCCSCCN MCULE-5281011566 [0,0,0,0,0,0|3,0,0]=3 49 B7R0.1 CCCCSCCO MCULE-8791357083 [0,0,0,0,0,0|2,0,0]=2 50 B7R0.1 CCCCSCCS MCULE-4109311315 [0,0,0,0,0,0|2,1,0]=3 51 B7R0.1 CCCNCCCN MCULE-6668094176 [0,0,0,0,0,0|4,0,0]=4 52 B7R0.1 CCCNCCCO MCULE-4366982860 [0,0,0,0,0,0|3,0,0]=3 53 B7R0.1 CCCNNCCC MCULE-1099710970 [0,0,0,0,0,0|4,0,0]=4 54 B7R0.1 CCCNNCCC MCULE-3763521244 [0,0,0,0,0,0|4,0,0]=4 55 B7R0.1 CCCOCCCN MCULE-5875738973 [0,0,0,0,0,0|3,1,0]=4 56 B7R0.1 CCCSCCCN MCULE-2911445961 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.1 CCCSSCCC MCULE-2667977107 [0,0,0,0,0,0|2,0,0]=2 58 B7R0.1 CCNCCCCO MCULE-4851249509 [0,0,0,0,0,0|4,0,0]=4 59 B7R0.1 CCOCCCCO MCULE-9986213119 [0,0,0,0,0,0|4,0,0]=4 60 B7R0.1 CCSCCCCO MCULE-1712194349 [0,0,0,0,0,0|4,0,0]=4 61 B7R0.1 CNCCCCCO MCULE-2988249730 [0,0,0,0,0,0|4,0,0]=4 62 B7R0.1 CNCCCCCO MCULE-8033733525 [0,0,0,0,0,0|4,0,0]=4 63 B7R0.1 CNCCOCCO MCULE-7869540361 [0,0,0,0,0,0|3,1,0]=4 64 B7R0.1 COCCCCCO MCULE-6003118644 [0,0,0,0,0,0|4,0,0]=4 65 B7R0.1 COCCNCCO MCULE-3082225541 [0,0,0,0,0,0|4,0,0]=4 66 B7R0.1 COCCOCCO MCULE-4230242952 [0,0,0,0,0,0|3,1,0]=4 67 B7R0.1 COCCSCCO MCULE-5057235828 [0,0,0,0,0,0|3,0,0]=3 68 B7R0.1 CSCCCCCO MCULE-3422729293 [0,0,0,0,0,0|4,0,0]=4 69 B7R0.1 ClCCCCCCBr MCULE-7471712605 [0,0,0,0,0,0|4,0,0]=4 70 B7R0.1 ClCCCCCCCl MCULE-2423183693 [0,0,0,0,0,0|4,0,0]=4 71 B7R0.1 ClCCCCCCI MCULE-2662361744 [0,0,0,0,0,0|4,0,0]=4 72 B7R0.1 ClCCCNCCCl MCULE-1885721760 [0,0,0,0,0,0|4,0,0]=4 73 B7R0.1 ClCCCNCCCl MCULE-9511755738 [0,0,0,0,0,0|4,0,0]=4 74 B7R0.1 ClCCSSCCCl MCULE-5314855118 [0,0,0,0,0,0|2,0,0]=2 75 B7R0.1 FCCCCCCBr MCULE-9238324978 [0,0,0,0,0,0|4,0,0]=4 76 B7R0.1 ICCCCCCI MCULE-1005202656 [0,0,0,0,0,0|4,0,0]=4 77 B7R0.1 N#CCCNCCO MCULE-4867229301 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.1 N#CCCNCCO MCULE-9947925933 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.1 N#CCCOCCO MCULE-4006569384 [0,0,0,0,0,0|2,1,1]=4 80 B7R0.1 N#CCCSCCO MCULE-6168568089 [0,0,0,0,0,0|2,0,1]=3 81 B7R0.1 N#CCOCCCO MCULE-3858235861 [0,0,0,0,0,0|2,1,1]=4 82 B7R0.1 N#CCSCCCCl MCULE-8808144163 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.1 NCCCCCCBr MCULE-4017495581 [0,0,0,0,0,0|4,0,0]=4 84 B7R0.1 NCCCCCCBr MCULE-4048883510 [0,0,0,0,0,0|4,0,0]=4 85 B7R0.1 NCCCCCCN MCULE-1038764376 [0,0,0,0,0,0|4,0,0]=4 86 B7R0.1 NCCCCCCN MCULE-3766020930 [0,0,0,0,0,0|4,0,0]=4 87 B7R0.1 NCCCCCCN MCULE-9535729200 [0,0,0,0,0,0|4,0,0]=4 88 B7R0.1 NCCCCCCO MCULE-2264326846 [0,0,0,0,0,0|3,0,0]=3 89 B7R0.1 NCCCCCCS MCULE-3764839885 [0,0,0,0,0,0|3,1,0]=4 90 B7R0.1 NCCCCCCS MCULE-5822376723 [0,0,0,0,0,0|3,1,0]=4 91 B7R0.1 NCCCNCCBr MCULE-3804557930 [0,0,0,0,0,0|4,0,0]=4 92 B7R0.1 NCCCNCCBr MCULE-7533614613 [0,0,0,0,0,0|4,0,0]=4 93 B7R0.1 NCCCNCCBr MCULE-9607733996 [0,0,0,0,0,0|4,0,0]=4 94 B7R0.1 NCCCNCCN MCULE-4817006723 [0,0,0,0,0,0|4,0,0]=4 95 B7R0.1 NCCCNCCO MCULE-1084481336 [0,0,0,0,0,0|3,0,0]=3 96 B7R0.1 NCCCNCCS MCULE-2204209594 [0,0,0,0,0,0|3,1,0]=4 97 B7R0.1 NCCCNCCS MCULE-8506055366 [0,0,0,0,0,0|3,1,0]=4 98 B7R0.1 NCCCOCCO MCULE-7244821044 [0,0,0,0,0,0|2,1,0]=3 99 B7R0.1 NCCNCCCO MCULE-6476789217 [0,0,0,0,0,0|3,0,0]=3 100 B7R0.1 NCCOCCCO MCULE-2435588099 [0,0,0,0,0,0|2,1,0]=3 101 B7R0.1 NCCOCCCO MCULE-9188421727 [0,0,0,0,0,0|2,1,0]=3 102 B7R0.1 NCCSCCCO MCULE-1578023056 [0,0,0,0,0,0|2,0,0]=2 103 B7R0.1 NCCSSCCN MCULE-4713604405 [0,0,0,0,0,0|2,0,0]=2 104 B7R0.1 NCCSSCCN MCULE-4801024099 [0,0,0,0,0,0|2,0,0]=2 105 B7R0.1 NCCSSCCN MCULE-9351804410 [0,0,0,0,0,0|2,0,0]=2 106 B7R0.1 NCCSSCCO MCULE-1512873976 [0,0,0,0,0,0|1,0,0]=1 107 B7R0.1 NCC[Se][Se]CCN MCULE-3008791235 [0,0,0,0,0,0|2,2,0]=4 108 B7R0.1 NCC[Se][Se]CCN MCULE-9995399290 [0,0,0,0,0,0|2,2,0]=4 109 B7R0.1 NOCCOCCO MCULE-7815173940 [0,0,0,0,0,0|3,1,0]=4 110 B7R0.1 O=CCCCCCO MCULE-3978349845 [0,0,0,0,0,0|2,0,2]=4 111 B7R0.1 O=CCCCCCO MCULE-4997016680 [0,0,0,0,0,0|2,0,2]=4 112 B7R0.1 OCC#CC#CCO MCULE-1598784188 [0,0,0,0,0,0|2,0,2]=4 113 B7R0.1 OCCC=CCCO MCULE-7933051592 [0,0,0,0,0,0|2,0,0]=2 114 B7R0.1 OCCCCCCBr MCULE-3500356936 [0,0,0,0,0,0|3,0,0]=3 115 B7R0.1 OCCCCCCCl MCULE-4507452440 [0,0,0,0,0,0|3,0,0]=3 116 B7R0.1 OCCCCCCF MCULE-7082491218 [0,0,0,0,0,0|3,0,0]=3 117 B7R0.1 OCCCCCCI MCULE-3710706648 [0,0,0,0,0,0|3,0,0]=3 118 B7R0.1 OCCCCCCO MCULE-8817570517 [0,0,0,0,0,0|2,0,0]=2 119 B7R0.1 OCCCCCCS MCULE-9135853131 [0,0,0,0,0,0|2,1,0]=3 120 B7R0.1 OCCCNCCO MCULE-1959450493 [0,0,0,0,0,0|2,0,0]=2 121 B7R0.1 OCCCOCCCl MCULE-9172390990 [0,0,0,0,0,0|2,1,0]=3 122 B7R0.1 OCCNNCCO MCULE-5335815164 [0,0,0,0,0,0|2,0,0]=2 123 B7R0.1 OCCOCCCBr MCULE-3397483886 [0,0,0,0,0,0|2,1,0]=3 124 B7R0.1 OCCSSCCO MCULE-9443383082 [0,0,0,0,0,0|0,0,0]=0 125 B7R0.1 SCCCCCCS MCULE-2873828857 [0,0,0,0,0,0|2,2,0]=4 126 B7R0.1 [NH3+]CCCCCC[NH3+] MCULE-2211304471 [0,0,0,0,0,0|4,0,0]=4 127 B7R0.1 [NH3+]CCC[NH2+]CCS MCULE-5394269788 [0,0,0,0,0,0|3,1,0]=4 128 B7R0.1 [NH3+]CCSSCC[NH3+] MCULE-3814449504 [0,0,0,0,0,0|2,0,0]=2 129 B6R0.6 BrCCCCCBr MCULE-7929769310 [1,0,0,0,0,0|3,0,0]=4 130 B6R0.6 BrCCNCCBr MCULE-8656215402 [1,0,0,0,0,0|3,0,0]=4 131 B6R0.6 BrCCOCCBr MCULE-7971589019 [1,0,0,0,0,0|2,1,0]=4 132 B6R0.6 BrCCSCCBr MCULE-9680858393 [1,0,0,0,0,0|2,0,0]=3 133 B6R0.6 BrCC[NH2+]CCBr MCULE-8263104784 [1,0,0,0,0,0|3,0,0]=4 134 B6R0.6 C#CCCCCO MCULE-2977997146 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.6 C#CCCSCC MCULE-1094584940 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.6 C#CCNCCO MCULE-4984192820 [1,0,0,0,0,0|2,0,1]=4 137 B6R0.6 C#CCOCCO MCULE-4502913039 [1,0,0,0,0,0|1,1,1]=4 138 B6R0.6 C#CCSCCN MCULE-2934790818 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.6 C#CCSCCN MCULE-8370704639 [1,0,0,0,0,0|2,0,1]=4 140 B6R0.6 C#CCSCCO MCULE-6167723961 [1,0,0,0,0,0|1,0,1]=3 141 B6R0.6 C(=C/CCC)\CO MCULE-6491762150 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.6 C/C=C/CCCO MCULE-9865436125 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.6 C/C=C\CCCO MCULE-3169839661 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.6 C=CCCCCO MCULE-3631432277 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.6 C=CCNCCO MCULE-5860509324 [1,0,0,0,0,0|2,0,1]=4 146 B6R0.6 C=CCOCCO MCULE-5718868633 [1,0,0,0,0,0|1,1,1]=4 147 B6R0.6 C=CCSCCC MCULE-3855352363 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.6 C=CCSCCN MCULE-3972995930 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.6 C=CCSCCN MCULE-9922932955 [1,0,0,0,0,0|2,0,1]=4 150 B6R0.6 CC#CCCCO MCULE-6502564684 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.6 CC/C=C/CCC MCULE-5222700461 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.6 CC/C=C/CCO MCULE-9853729917 [1,0,0,0,0,0|2,0,0]=3 153 B6R0.6 CC/C=C\CCO MCULE-9206958060 [1,0,0,0,0,0|2,0,0]=3 154 B6R0.6 CC=CCCCO MCULE-1401303632 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.6 CC=CSCCC MCULE-3534082442 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.6 CCC#CCCBr MCULE-2188447221 [1,0,0,0,0,0|3,0,0]=4 157 B6R0.6 CCC#CCCC MCULE-9615607532 [1,0,0,0,0,0|3,0,0]=4 158 B6R0.6 CCC#CCCO MCULE-1699744538 [1,0,0,0,0,0|2,0,0]=3 159 B6R0.6 CCC=CCCBr MCULE-7873583643 [1,0,0,0,0,0|3,0,0]=4 160 B6R0.6 CCC=CCCC MCULE-3739501724 [1,0,0,0,0,0|3,0,0]=4 161 B6R0.6 CCC=CCCI MCULE-9416216252 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.6 CCC=CCCO MCULE-1781375433 [1,0,0,0,0,0|2,0,0]=3 163 B6R0.6 CCCC#CCO MCULE-8352024607 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.6 CCCC=CCO MCULE-3204738641 [1,0,0,0,0,0|2,0,1]=4 165 B6R0.6 CCCCCCBr MCULE-6022503394 [1,0,0,0,0,0|3,0,0]=4 166 B6R0.6 CCCCCCC MCULE-5817084747 [1,0,0,0,0,0|3,0,0]=4 167 B6R0.6 CCCCCCCl MCULE-3706149525 [1,0,0,0,0,0|3,0,0]=4 168 B6R0.6 CCCCCCF MCULE-4320903575 [1,0,0,0,0,0|3,0,0]=4 169 B6R0.6 CCCCCCI MCULE-1021236615 [1,0,0,0,0,0|3,0,0]=4 170 B6R0.6 CCCCCCN MCULE-2944455155 [1,0,0,0,0,0|3,0,0]=4 171 B6R0.6 CCCCCCN MCULE-6014217174 [1,0,0,0,0,0|3,0,0]=4 172 B6R0.6 CCCCCCN MCULE-6021451227 [1,0,0,0,0,0|3,0,0]=4 173 B6R0.6 CCCCCCO MCULE-4299150163 [1,0,0,0,0,0|2,0,0]=3 174 B6R0.6 CCCCCCS MCULE-5962964855 [1,0,0,0,0,0|2,1,0]=4 175 B6R0.6 CCCCNCC MCULE-8816750429 [1,0,0,0,0,0|3,0,0]=4 176 B6R0.6 CCCCOCC MCULE-5662731951 [1,0,0,0,0,0|2,1,0]=4 177 B6R0.6 CCCCSCC MCULE-4832924468 [1,0,0,0,0,0|2,0,0]=3 178 B6R0.6 CCCCSCCl MCULE-4907770015 [1,0,0,0,0,0|3,0,0]=4 179 B6R0.6 CCCNCCC MCULE-1452672638 [1,0,0,0,0,0|3,0,0]=4 180 B6R0.6 CCCNCCC MCULE-6223802621 [1,0,0,0,0,0|3,0,0]=4 181 B6R0.6 CCCNCCC MCULE-6789654118 [1,0,0,0,0,0|3,0,0]=4 182 B6R0.6 CCCNCCN MCULE-2288945868 [1,0,0,0,0,0|3,0,0]=4 183 B6R0.6 CCCNCCO MCULE-4813687741 [1,0,0,0,0,0|2,0,0]=3 184 B6R0.6 CCCNOCC MCULE-1349462426 [1,0,0,0,0,0|2,1,0]=4 185 B6R0.6 CCCNOCC MCULE-7159087335 [1,0,0,0,0,0|2,1,0]=4 186 B6R0.6 CCCOCCC MCULE-1390130917 [1,0,0,0,0,0|2,1,0]=4 187 B6R0.6 CCCOCCCl MCULE-6561613708 [1,0,0,0,0,0|2,1,0]=4 188 B6R0.6 CCCOCCI MCULE-5330098176 [1,0,0,0,0,0|2,1,0]=4 189 B6R0.6 CCCOCCN MCULE-1987261931 [1,0,0,0,0,0|2,1,0]=4 190 B6R0.6 CCCOCCN MCULE-9033871038 [1,0,0,0,0,0|2,1,0]=4 191 B6R0.6 CCCOCCO MCULE-3263526264 [1,0,0,0,0,0|1,1,0]=3 192 B6R0.6 CCCSCCC MCULE-5531652471 [1,0,0,0,0,0|2,0,0]=3 193 B6R0.6 CCCSCCN MCULE-3934428121 [1,0,0,0,0,0|2,0,0]=3 194 B6R0.6 CCCSCCN MCULE-5705755172 [1,0,0,0,0,0|2,0,0]=3 195 B6R0.6 CCCSCCO MCULE-8371796663 [1,0,0,0,0,0|1,0,0]=2 196 B6R0.6 CCCSSCC MCULE-7192921435 [1,0,0,0,0,0|1,0,0]=2 197 B6R0.6 CCNCCCN MCULE-5811169148 [1,0,0,0,0,0|3,0,0]=4 198 B6R0.6 CCNCCCO MCULE-3251610052 [1,0,0,0,0,0|2,0,0]=3 199 B6R0.6 CCOCCCBr MCULE-6544747281 [1,0,0,0,0,0|2,1,0]=4 200 B6R0.6 CCOCCCCl MCULE-8523618681 [1,0,0,0,0,0|2,1,0]=4 201 B6R0.6 CCOCCCI MCULE-6640732668 [1,0,0,0,0,0|2,1,0]=4 202 B6R0.6 CCOCCCN MCULE-3491529722 [1,0,0,0,0,0|2,1,0]=4 203 B6R0.6 CCOCCCO MCULE-3077567484 [1,0,0,0,0,0|1,1,0]=3 204 B6R0.6 CCSCCC=O MCULE-2493452950 [1,0,0,0,0,0|1,0,2]=4 205 B6R0.6 CCSCCCBr MCULE-5143634954 [1,0,0,0,0,0|2,0,0]=3 206 B6R0.6 CCSCCCN MCULE-4566450606 [1,0,0,0,0,0|2,0,0]=3 207 B6R0.6 CCSCCCO MCULE-6719011943 [1,0,0,0,0,0|1,0,0]=2 208 B6R0.6 CCSCCNC MCULE-6159594076 [1,0,0,0,0,0|3,0,0]=4 209 B6R0.6 CCSCCNC MCULE-6696154047 [1,0,0,0,0,0|3,0,0]=4 210 B6R0.6 CCSCSCC MCULE-6005869091 [1,0,0,0,0,0|3,0,0]=4 211 B6R0.6 CCSSSCC MCULE-7754450209 [1,0,0,0,0,0|2,0,0]=3 212 B6R0.6 CNCCCCO MCULE-9264393637 [1,0,0,0,0,0|3,0,0]=4 213 B6R0.6 COCCCCO MCULE-2543196930 [1,0,0,0,0,0|3,0,0]=4 214 B6R0.6 COCCCCO MCULE-8659106280 [1,0,0,0,0,0|3,0,0]=4 215 B6R0.6 COCOCCO MCULE-8093241209 [1,0,0,0,0,0|2,1,0]=4 216 B6R0.6 CSCCCCO MCULE-1045422424 [1,0,0,0,0,0|3,0,0]=4 217 B6R0.6 ClCCCCCBr MCULE-6767883252 [1,0,0,0,0,0|3,0,0]=4 218 B6R0.6 ClCCCCCCl MCULE-9302388009 [1,0,0,0,0,0|3,0,0]=4 219 B6R0.6 ClCCCCCI MCULE-2173931817 [1,0,0,0,0,0|3,0,0]=4 220 B6R0.6 ClCCNCCCl MCULE-2453447059 [1,0,0,0,0,0|3,0,0]=4 221 B6R0.6 ClCCOCCCl MCULE-2189904184 [1,0,0,0,0,0|2,1,0]=4 222 B6R0.6 ClCCOCCI MCULE-8666203040 [1,0,0,0,0,0|2,1,0]=4 223 B6R0.6 FCCCCCBr MCULE-1314383985 [1,0,0,0,0,0|3,0,0]=4 224 B6R0.6 ICCCCCI MCULE-2889089700 [1,0,0,0,0,0|3,0,0]=4 225 B6R0.6 ICCOCCI MCULE-8427607007 [1,0,0,0,0,0|2,1,0]=4 226 B6R0.6 N#CCCCCO MCULE-4289736283 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.6 NCCCCCBr MCULE-3577483607 [1,0,0,0,0,0|3,0,0]=4 228 B6R0.6 NCCCCCBr MCULE-7572691537 [1,0,0,0,0,0|3,0,0]=4 229 B6R0.6 NCCCCCF MCULE-1057270243 [1,0,0,0,0,0|3,0,0]=4 230 B6R0.6 NCCCCCN MCULE-3785554987 [1,0,0,0,0,0|3,0,0]=4 231 B6R0.6 NCCCCCN MCULE-5173983982 [1,0,0,0,0,0|3,0,0]=4 232 B6R0.6 NCCCCCO MCULE-8877250712 [1,0,0,0,0,0|2,0,0]=3 233 B6R0.6 NCCCCCS MCULE-1813104379 [1,0,0,0,0,0|2,1,0]=4 234 B6R0.6 NCCCCCS MCULE-6081835870 [1,0,0,0,0,0|2,1,0]=4 235 B6R0.6 NCCCCNO MCULE-6478748569 [1,0,0,0,0,0|3,0,0]=4 236 B6R0.6 NCCNCCCl MCULE-8909584172 [1,0,0,0,0,0|3,0,0]=4 237 B6R0.6 NCCNCCCl MCULE-9412103836 [1,0,0,0,0,0|3,0,0]=4 238 B6R0.6 NCCNCCN MCULE-4710767146 [1,0,0,0,0,0|3,0,0]=4 239 B6R0.6 NCCNCCN MCULE-4803305991 [1,0,0,0,0,0|3,0,0]=4 240 B6R0.6 NCCNCCO MCULE-2112359407 [1,0,0,0,0,0|2,0,0]=3 241 B6R0.6 NCCOCCBr MCULE-6520580224 [1,0,0,0,0,0|2,1,0]=4 242 B6R0.6 NCCOCCCl MCULE-1975521529 [1,0,0,0,0,0|2,1,0]=4 243 B6R0.6 NCCOCCCl MCULE-9715175348 [1,0,0,0,0,0|2,1,0]=4 244 B6R0.6 NCCOCCF MCULE-4126568309 [1,0,0,0,0,0|2,1,0]=4 245 B6R0.6 NCCOCCF MCULE-4641621710 [1,0,0,0,0,0|2,1,0]=4 246 B6R0.6 NCCOCCN MCULE-1630934305 [1,0,0,0,0,0|2,1,0]=4 247 B6R0.6 NCCOCCN MCULE-3282393357 [1,0,0,0,0,0|2,1,0]=4 248 B6R0.6 NCCOCCN MCULE-3788231540 [1,0,0,0,0,0|2,1,0]=4 249 B6R0.6 NCCOCCO MCULE-1073574088 [1,0,0,0,0,0|1,1,0]=3 250 B6R0.6 NCCSCCN MCULE-4317147284 [1,0,0,0,0,0|2,0,0]=3 251 B6R0.6 NCCSCCN MCULE-5449033874 [1,0,0,0,0,0|2,0,0]=3 252 B6R0.6 NCCSCCO MCULE-1475378446 [1,0,0,0,0,0|1,0,0]=2 253 B6R0.6 NNCCCCO MCULE-3928748589 [1,0,0,0,0,0|3,0,0]=4 254 B6R0.6 O=CCCCCO MCULE-7959082228 [1,0,0,0,0,0|1,0,2]=4 255 B6R0.6 O=NCNCCO MCULE-4478167391 [1,0,0,0,0,0|2,0,1]=4 256 B6R0.6 OCCCCCBr MCULE-1444733196 [1,0,0,0,0,0|2,0,0]=3 257 B6R0.6 OCCCCCCl MCULE-5666058059 [1,0,0,0,0,0|2,0,0]=3 258 B6R0.6 OCCCCCF MCULE-9253204275 [1,0,0,0,0,0|2,0,0]=3 259 B6R0.6 OCCCCCI MCULE-8707758496 [1,0,0,0,0,0|2,0,0]=3 260 B6R0.6 OCCCCCO MCULE-1044076048 [1,0,0,0,0,0|1,0,0]=2 261 B6R0.6 OCCNCCCl MCULE-7809492267 [1,0,0,0,0,0|2,0,0]=3 262 B6R0.6 OCCNCCCl MCULE-9007709158 [1,0,0,0,0,0|2,0,0]=3 263 B6R0.6 OCCNCCO MCULE-9183096746 [1,0,0,0,0,0|1,0,0]=2 264 B6R0.6 OCCNCCO MCULE-9803420258 [1,0,0,0,0,0|1,0,0]=2 265 B6R0.6 OCCOCCBr MCULE-2641000270 [1,0,0,0,0,0|1,1,0]=3 266 B6R0.6 OCCOCCCl MCULE-7320539957 [1,0,0,0,0,0|1,1,0]=3 267 B6R0.6 OCCOCCF MCULE-1780385479 [1,0,0,0,0,0|1,1,0]=3 268 B6R0.6 OCCOCCI MCULE-1083607130 [1,0,0,0,0,0|1,1,0]=3 269 B6R0.6 OCCOCCO MCULE-1531783732 [1,0,0,0,0,0|0,1,0]=2 270 B6R0.6 OCCSCCO MCULE-5502656030 [1,0,0,0,0,0|0,0,0]=1 271 B6R0.6 OCCSCCS MCULE-4418561990 [1,0,0,0,0,0|0,1,0]=2 272 B6R0.6 SCCCCCS MCULE-4899719552 [1,0,0,0,0,0|1,2,0]=4 273 B6R0.6 SCCOCCS MCULE-6659110232 [1,0,0,0,0,0|0,3,0]=4 274 B6R0.6 SCCSCCS MCULE-1219600644 [1,0,0,0,0,0|0,2,0]=3 275 B6R0.6 [NH2+](CCCl)CCCl MCULE-9020671822 [1,0,0,0,0,0|3,0,0]=4 276 B8R0.1 CCCC(=O)OCCO MCULE-5942976945 [0,1,0,0,0,0|2,1,0]=4 277 B8R0.1 CCCC(C)CCCO MCULE-9229761768 [0,1,0,0,0,0|3,0,0]=4 278 B8R0.1 CCCC(O)CCCO MCULE-4169738114 [0,1,0,0,0,0|3,0,0]=4 279 B8R0.1 CCCCC(C)CCO MCULE-7796394440 [0,1,0,0,0,0|3,0,0]=4 280 B8R0.1 CCCCC(N)CCO MCULE-1718868981 [0,1,0,0,0,0|3,0,0]=4 281 B8R0.1 CCCCC(N)CCO MCULE-6967408250 [0,1,0,0,0,0|3,0,0]=4 282 B8R0.1 CCCCC(N)CCO MCULE-7169926590 [0,1,0,0,0,0|3,0,0]=4 283 B8R0.1 CCCCC(N)CCO MCULE-7195068070 [0,1,0,0,0,0|3,0,0]=4 284 B8R0.1 CCCCC(O)CCO MCULE-1527111701 [0,1,0,0,0,0|3,0,0]=4 285 B8R0.1 CCCCN(C)CCO MCULE-9224761648 [0,1,0,0,0,0|3,0,0]=4 286 B8R0.1 CCCCS(=O)CCO MCULE-9422446521 [0,1,0,0,0,0|2,0,1]=4 287 B8R0.1 CCCC[C@H](N)CCO MCULE-1556286414 [0,1,0,0,0,0|3,0,0]=4 288 B8R0.1 CCCC[C@H](N)CCO MCULE-5421326968 [0,1,0,0,0,0|3,0,0]=4 289 B8R0.1 CCCC[C@H](N)CCO MCULE-8706513986 [0,1,0,0,0,0|3,0,0]=4 290 B8R0.1 CCCOC(=O)CCO MCULE-7390309329 [0,1,0,0,0,0|2,1,0]=4 291 B8R0.1 CN(CCO)CCCN MCULE-8815292888 [0,1,0,0,0,0|3,0,0]=4 292 B8R0.1 NCCC(=O)NCCO MCULE-6631262210 [0,1,0,0,0,0|3,0,0]=4 293 B8R0.1 NCCC(=O)NCCO MCULE-7004874938 [0,1,0,0,0,0|3,0,0]=4 294 B8R0.1 O=C(CCS)OCCO MCULE-8554625892 [0,1,0,0,0,0|1,2,0]=4 295 B8R0.1 O=C(NCO)NCCO MCULE-2347245416 [0,1,0,0,0,0|3,0,0]=4 296 B8R0.4 C#CCCCCCCO MCULE-9399870702 [0,1,0,0,0,0|3,0,0]=4 297 B8R0.4 C=CCCCCCCO MCULE-8561904793 [0,1,0,0,0,0|3,0,0]=4 298 B8R0.4 C=CCCNCCCO MCULE-1492709649 [0,1,0,0,0,0|3,0,0]=4 299 B8R0.4 C=CCSSSCCC MCULE-9939190592 [0,1,0,0,0,0|2,0,1]=4 300 B8R0.4 CCCC/C=C\CCO MCULE-5021089657 [0,1,0,0,0,0|3,0,0]=4 301 B8R0.4 CCCCC#CCCO MCULE-6156677538 [0,1,0,0,0,0|3,0,0]=4 302 B8R0.4 CCCCC=CCCO MCULE-5187523035 [0,1,0,0,0,0|3,0,0]=4 303 B8R0.4 CCCCCCCCO MCULE-2656577895 [0,1,0,0,0,0|3,0,0]=4 304 B8R0.4 CCCCCCCON MCULE-6380236924 [0,1,0,0,0,0|3,0,0]=4 305 B8R0.4 CCCCCCCON MCULE-6581043184 [0,1,0,0,0,0|3,0,0]=4 306 B8R0.4 CCCCCNCCO MCULE-7662965930 [0,1,0,0,0,0|3,0,0]=4 307 B8R0.4 CCCCCOCCO MCULE-3393695257 [0,1,0,0,0,0|2,1,0]=4 308 B8R0.4 CCCCCSCCCl MCULE-7680431310 [0,1,0,0,0,0|3,0,0]=4 309 B8R0.4 CCCCCSCCO MCULE-1239137782 [0,1,0,0,0,0|2,0,0]=3 310 B8R0.4 CCCCNCCCO MCULE-7171357018 [0,1,0,0,0,0|3,0,0]=4 311 B8R0.4 CCCCNCCOC MCULE-5142206385 [0,1,0,0,0,0|3,0,0]=4 312 B8R0.4 CCCCOCCCO MCULE-2797403638 [0,1,0,0,0,0|2,1,0]=4 313 B8R0.4 CCCCOCCOC MCULE-4497601798 [0,1,0,0,0,0|2,1,0]=4 314 B8R0.4 CCCCSCCCC MCULE-3121918458 [0,1,0,0,0,0|3,0,0]=4 315 B8R0.4 CCCCSCCCN MCULE-6519812920 [0,1,0,0,0,0|3,0,0]=4 316 B8R0.4 CCCSCCCCN MCULE-7923615539 [0,1,0,0,0,0|3,0,0]=4 317 B8R0.4 CCCSSSCCC MCULE-8234539570 [0,1,0,0,0,0|2,0,0]=3 318 B8R0.4 CCNCCOCCO MCULE-3581305931 [0,1,0,0,0,0|2,1,0]=4 319 B8R0.4 CCOCCOCCO MCULE-8940886567 [0,1,0,0,0,0|2,1,0]=4 320 B8R0.4 CCSCCOCCO MCULE-6785870605 [0,1,0,0,0,0|2,1,0]=4 321 B8R0.4 CNCCCCCCO MCULE-2582847385 [0,1,0,0,0,0|3,0,0]=4 322 B8R0.4 COCCCCCCBr MCULE-8590853100 [0,1,0,0,0,0|3,0,0]=4 323 B8R0.4 COCCCCCCO MCULE-5454628686 [0,1,0,0,0,0|2,0,0]=3 324 B8R0.4 COCCCNCCN MCULE-6697775895 [0,1,0,0,0,0|3,0,0]=4 325 B8R0.4 COCCCNCCO MCULE-3069731145 [0,1,0,0,0,0|2,0,0]=3 326 B8R0.4 COCCCOCCO MCULE-7280677606 [0,1,0,0,0,0|1,1,0]=3 327 B8R0.4 COCCNCCCN MCULE-7319591268 [0,1,0,0,0,0|3,0,0]=4 328 B8R0.4 COCCNCCCO MCULE-9359795449 [0,1,0,0,0,0|2,0,0]=3 329 B8R0.4 COCCOCCCBr MCULE-1854114779 [0,1,0,0,0,0|2,1,0]=4 330 B8R0.4 COCCOCCCN MCULE-8835423066 [0,1,0,0,0,0|2,1,0]=4 331 B8R0.4 COCCOCCCO MCULE-7732325457 [0,1,0,0,0,0|1,1,0]=3 332 B8R0.4 COCCSCCCBr MCULE-9034574998 [0,1,0,0,0,0|2,0,0]=3 333 B8R0.4 CSCCCCCCO MCULE-1590282643 [0,1,0,0,0,0|2,1,0]=4 334 B8R0.4 N#CCCNCCCO MCULE-8185548226 [0,1,0,0,0,0|3,0,0]=4 335 B8R0.4 N#CCCOCCCO MCULE-5612403579 [0,1,0,0,0,0|2,1,0]=4 336 B8R0.4 NCCCCCCCO MCULE-6098435698 [0,1,0,0,0,0|3,0,0]=4 337 B8R0.4 NCCCCCCCO MCULE-8352830275 [0,1,0,0,0,0|3,0,0]=4 338 B8R0.4 NCCCCNCCO MCULE-5679490980 [0,1,0,0,0,0|3,0,0]=4 339 B8R0.4 NCCCNCCCO MCULE-1085206494 [0,1,0,0,0,0|3,0,0]=4 340 B8R0.4 NCCCOCCCO MCULE-9489688996 [0,1,0,0,0,0|2,1,0]=4 341 B8R0.4 NCCNCCCCO MCULE-1668134399 [0,1,0,0,0,0|3,0,0]=4 342 B8R0.4 NCCNCCCCO MCULE-8060063829 [0,1,0,0,0,0|3,0,0]=4 343 B8R0.4 OCCCCCCCBr MCULE-2559114853 [0,1,0,0,0,0|3,0,0]=4 344 B8R0.4 OCCCCCCCCl MCULE-4143586059 [0,1,0,0,0,0|3,0,0]=4 345 B8R0.4 OCCCCCCCI MCULE-3420024644 [0,1,0,0,0,0|3,0,0]=4 346 B8R0.4 OCCCCCCCO MCULE-1201837142 [0,1,0,0,0,0|2,0,0]=3 347 B8R0.4 OCCCNCCCO MCULE-1813882908 [0,1,0,0,0,0|2,0,0]=3 348 B8R0.4 OCCCNCCCO MCULE-4567401301 [0,1,0,0,0,0|2,0,0]=3 349 B8R0.4 OCCCOCCCCl MCULE-9999003892 [0,1,0,0,0,0|2,1,0]=4 350 B8R0.4 OCCCOCCCO MCULE-2894245516 [0,1,0,0,0,0|1,1,0]=3 351 B8R0.4 OCCCSCCCO MCULE-2025331376 [0,1,0,0,0,0|1,0,0]=2 352 B8R0.4 OCCSCSCCO MCULE-5909808862 [0,1,0,0,0,0|0,0,0]=1 353 B8R0.6 CCC(C)CCCCO MCULE-9107164434 [0,1,0,0,0,0|3,0,0]=4 354 B8R0.6 CCCCCC(C)CO MCULE-4884757032 [0,1,0,0,0,0|3,0,0]=4 355 B8R0.6 CCCCCC(O)CO MCULE-4124719814 [0,1,0,0,0,0|3,0,0]=4 356 B8R0.6 CCCNCC(O)CO MCULE-1611893086 [0,1,0,0,0,0|3,0,0]=4 357 B8R0.6 CCCOCC(C)CO MCULE-8326797774 [0,1,0,0,0,0|2,1,0]=4 358 B8R0.6 CCCOCC(O)CO MCULE-8815613620 [0,1,0,0,0,0|2,1,0]=4 359 B8R0.6 CCCOC[C@H](O)CO MCULE-7750792134 [0,1,0,0,0,0|2,1,0]=4 360 B8R0.6 CC[C@H](C)CCCCO MCULE-2674922341 [0,1,0,0,0,0|3,0,0]=4 361 B8R0.6 CC[C@H](C)CCCCO MCULE-7482991055 [0,1,0,0,0,0|3,0,0]=4 362 B8R0.6 NCCCCC(N)CO MCULE-5938273372 [0,1,0,0,0,0|3,0,0]=4 363 B8R0.6 NCCCCC(N)CO MCULE-9464237285 [0,1,0,0,0,0|3,0,0]=4 364 B8R0.6 NCCCC[C@H](N)CO MCULE-4735749396 [0,1,0,0,0,0|3,0,0]=4 365 B8R0.6 NCCCC[C@H](N)CO MCULE-6997150748 [0,1,0,0,0,0|3,0,0]=4 366 B8R0.6 NCCCC[C@H](N)CO MCULE-7936699760 [0,1,0,0,0,0|3,0,0]=4 367 B8R0.6 NCCCC[C@H](N)CO MCULE-9135547877 [0,1,0,0,0,0|3,0,0]=4 368 B8R0.6 NCCNCC(O)CO MCULE-4818647623 [0,1,0,0,0,0|3,0,0]=4 369 B8R0.6 OCCCCC(O)CO MCULE-5891501842 [0,1,0,0,0,0|2,0,0]=3 370 B8R0.6 OCCNCC(O)CO MCULE-1632492020 [0,1,0,0,0,0|2,0,0]=3 371 B8R0.6 OCCOCC(O)CCl MCULE-1530998868 [0,1,0,0,0,0|2,1,0]=4 372 B8R0.6 OCCOCC(O)CO MCULE-4768071463 [0,1,0,0,0,0|1,1,0]=3 373 B8R0.7 CC(C)CCCCCO MCULE-2133434329 [0,1,0,0,0,0|3,0,0]=4 374 B8R0.7 CC(C)CCNCCO MCULE-7584613000 [0,1,0,0,0,0|3,0,0]=4 375 B8R0.7 CC(C)CCOCCO MCULE-2905905370 [0,1,0,0,0,0|2,1,0]=4 376 B8R0.7 CC(C)CNCCCO MCULE-2271519808 [0,1,0,0,0,0|3,0,0]=4 377 B8R0.7 CC(C)COCCCO MCULE-8827861403 [0,1,0,0,0,0|2,1,0]=4 378 B8R0.7 CC(C)CSCCCCl MCULE-4611281209 [0,1,0,0,0,0|3,0,0]=4 379 B8R0.7 CC(C)CSCCCN MCULE-7842745549 [0,1,0,0,0,0|3,0,0]=4 380 B8R0.7 CC(C)CSCCCO MCULE-8186559992 [0,1,0,0,0,0|2,0,0]=3 381 B8R0.7 CCCCCCC(C)O MCULE-4635370769 [0,1,0,0,0,0|3,0,0]=4 382 B8R0.7 CCCCCCC(C)O MCULE-5095200181 [0,1,0,0,0,0|3,0,0]=4 383 B8R0.7 CCCCCC[C@@H](C)O MCULE-5245235461 [0,1,0,0,0,0|3,0,0]=4 384 B8R0.7 CCCCCC[C@@H](C)O MCULE-8537503782 [0,1,0,0,0,0|3,0,0]=4 385 B8R0.7 CCCCCC[C@H](C)O MCULE-2655815413 [0,1,0,0,0,0|3,0,0]=4 386 B8R0.7 CCCCCC[C@H](C)O MCULE-7784149103 [0,1,0,0,0,0|3,0,0]=4 387 B8R0.7 CCCCNCC(C)O MCULE-3151408580 [0,1,0,0,0,0|3,0,0]=4 388 B8R0.7 CCCCOCC(C)O MCULE-6350800869 [0,1,0,0,0,0|2,1,0]=4 389 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [0,1,0,0,0,0|2,0,1]=4 390 B8R0.7 CCCCSCC(C)C MCULE-3062170002 [0,1,0,0,0,0|3,0,0]=4 391 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [0,1,0,0,0,0|2,0,1]=4 393 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [0,1,0,0,0,0|2,0,1]=4 394 B8R0.7 O=C(O)CCNCCO MCULE-6594831168 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [0,1,0,0,0,0|1,1,1]=4 396 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [0,1,0,0,0,0|1,0,1]=3 397 B8R0.7 OCCCOCC(F)F MCULE-9624085410 [0,1,0,0,0,0|2,1,0]=4 398 B8R1.2 BrCC1CCCCO1 MCULE-7555024882 [0,0,0,1,0,0|3,0,0]=4 399 B8R1.2 BrCC1CNCCO1 MCULE-4182788522 [0,0,0,1,0,0|3,0,0]=4 400 B8R1.2 BrCC1CNCCO1 MCULE-4827459875 [0,0,0,1,0,0|3,0,0]=4 401 B8R1.2 BrCC1COCCO1 MCULE-5294427682 [0,0,0,1,0,0|2,1,0]=4 402 B8R1.2 BrC[C@@H]1COCCO1 MCULE-4849633409 [0,0,0,1,0,0|2,1,0]=4 403 B8R1.2 C1(CCCCN1)CO MCULE-7414417382 [0,0,0,1,0,0|3,0,0]=4 404 B8R1.2 C1(CCCCO1)CC MCULE-5189391029 [0,0,0,1,0,0|3,0,0]=4 405 B8R1.2 C1(COCCO1)CN MCULE-3098204775 [0,0,0,1,0,0|2,1,0]=4 406 B8R1.2 C1(COCCO1)CN MCULE-7024108523 [0,0,0,1,0,0|2,1,0]=4 407 B8R1.2 CCC1CNCCO1 MCULE-1491754999 [0,0,0,1,0,0|3,0,0]=4 408 B8R1.2 CCC1CNCCO1 MCULE-2804411387 [0,0,0,1,0,0|3,0,0]=4 409 B8R1.2 CC[C@@H]1CNCCO1 MCULE-5576287129 [0,0,0,1,0,0|3,0,0]=4 410 B8R1.2 CC[C@@H]1CNCCO1 MCULE-7329824991 [0,0,0,1,0,0|3,0,0]=4 411 B8R1.2 CC[C@H]1CNCCO1 MCULE-1213088635 [0,0,0,1,0,0|3,0,0]=4 412 B8R1.2 CC[C@H]1CNCCO1 MCULE-1732774154 [0,0,0,1,0,0|3,0,0]=4 413 B8R1.2 CC[C@H]1CNCCO1 MCULE-2604595853 [0,0,0,1,0,0|3,0,0]=4 414 B8R1.2 CC[C@H]1CNCCO1 MCULE-6508226283 [0,0,0,1,0,0|3,0,0]=4 415 B8R1.2 ClCC1CCCCO1 MCULE-7493119643 [0,0,0,1,0,0|3,0,0]=4 416 B8R1.2 ClCC1CNCCO1 MCULE-6977459966 [0,0,0,1,0,0|3,0,0]=4 417 B8R1.2 ClCC1CNCCO1 MCULE-7633503523 [0,0,0,1,0,0|3,0,0]=4 418 B8R1.2 ClCC1COCCO1 MCULE-5491048081 [0,0,0,1,0,0|2,1,0]=4 419 B8R1.2 ClCC1OCCCO1 MCULE-7396357867 [0,0,0,1,0,0|2,1,0]=4 420 B8R1.2 ClC[C@@H]1CNCCO1 MCULE-8134652552 [0,0,0,1,0,0|3,0,0]=4 421 B8R1.2 ClC[C@H]1CNCCO1 MCULE-4491372571 [0,0,0,1,0,0|3,0,0]=4 422 B8R1.2 FCC1CNCCO1 MCULE-1442465580 [0,0,0,1,0,0|3,0,0]=4 423 B8R1.2 FCC1CNCCO1 MCULE-9755393279 [0,0,0,1,0,0|3,0,0]=4 424 B8R1.2 ICC1CCCCO1 MCULE-4630701067 [0,0,0,1,0,0|3,0,0]=4 425 B8R1.2 ICC1COCCO1 MCULE-1992463610 [0,0,0,1,0,0|2,1,0]=4 426 B8R1.2 NCC1CCCCO1 MCULE-2644735894 [0,0,0,1,0,0|3,0,0]=4 427 B8R1.2 NCC1CCCCO1 MCULE-5042678896 [0,0,0,1,0,0|3,0,0]=4 428 B8R1.2 NCC1CCCCS1 MCULE-1705875111 [0,0,0,1,0,0|3,0,0]=4 429 B8R1.2 NCC1CCCSC1 MCULE-1894328803 [0,0,0,1,0,0|3,0,0]=4 430 B8R1.2 NCC1CNCCO1 MCULE-4362254656 [0,0,0,1,0,0|3,0,0]=4 431 B8R1.2 NCC1CNCCO1 MCULE-9062864656 [0,0,0,1,0,0|3,0,0]=4 432 B8R1.2 NCC1COCCO1 MCULE-1612004893 [0,0,0,1,0,0|2,1,0]=4 433 B8R1.2 NCC1COCCO1 MCULE-9278150730 [0,0,0,1,0,0|2,1,0]=4 434 B8R1.2 NCC1CSCCN1 MCULE-2206802895 [0,0,0,1,0,0|3,0,0]=4 435 B8R1.2 NCC1CSCCS1 MCULE-8020891732 [0,0,0,1,0,0|2,1,0]=4 436 B8R1.2 NCC1OCCCO1 MCULE-8138335107 [0,0,0,1,0,0|2,1,0]=4 437 B8R1.2 NC[C@@H]1CCCCO1 MCULE-1435985280 [0,0,0,1,0,0|3,0,0]=4 438 B8R1.2 NC[C@@H]1CCCCO1 MCULE-4778440271 [0,0,0,1,0,0|3,0,0]=4 439 B8R1.2 NC[C@@H]1CCCCO1 MCULE-6014338525 [0,0,0,1,0,0|3,0,0]=4 440 B8R1.2 NC[C@@H]1CCCCO1 MCULE-9488694680 [0,0,0,1,0,0|3,0,0]=4 441 B8R1.2 NC[C@@H]1COCCO1 MCULE-2337005422 [0,0,0,1,0,0|2,1,0]=4 442 B8R1.2 NC[C@@H]1COCCO1 MCULE-5052227155 [0,0,0,1,0,0|2,1,0]=4 443 B8R1.2 NC[C@@H]1COCCO1 MCULE-5182478394 [0,0,0,1,0,0|2,1,0]=4 444 B8R1.2 NC[C@@H]1COCCO1 MCULE-9731790782 [0,0,0,1,0,0|2,1,0]=4 445 B8R1.2 NC[C@H]1CCCCO1 MCULE-2835389541 [0,0,0,1,0,0|3,0,0]=4 446 B8R1.2 NC[C@H]1CCCCO1 MCULE-4500797236 [0,0,0,1,0,0|3,0,0]=4 447 B8R1.2 NC[C@H]1CCCCO1 MCULE-5990717573 [0,0,0,1,0,0|3,0,0]=4 448 B8R1.2 NC[C@H]1CCCCO1 MCULE-7362278601 [0,0,0,1,0,0|3,0,0]=4 449 B8R1.2 NC[C@H]1COCCO1 MCULE-1148680339 [0,0,0,1,0,0|2,1,0]=4 450 B8R1.2 NC[C@H]1COCCO1 MCULE-6244775356 [0,0,0,1,0,0|2,1,0]=4 451 B8R1.2 NC[C@H]1COCCO1 MCULE-6383517047 [0,0,0,1,0,0|2,1,0]=4 452 B8R1.2 NC[C@H]1COCCO1 MCULE-9768281737 [0,0,0,1,0,0|2,1,0]=4 453 B8R1.2 OCC1=CCCCO1 MCULE-1995059172 [0,0,0,1,0,0|2,0,1]=4 454 B8R1.2 OCC1C=CCCC1 MCULE-3264381346 [0,0,0,1,0,0|3,0,0]=4 455 B8R1.2 OCC1C=CCCN1 MCULE-1476642397 [0,0,0,1,0,0|3,0,0]=4 456 B8R1.2 OCC1CC=CCO1 MCULE-1009946564 [0,0,0,1,0,0|2,0,1]=4 457 B8R1.2 OCC1CCCCC1 MCULE-6571547092 [0,0,0,1,0,0|3,0,0]=4 458 B8R1.2 OCC1CCCCN1 MCULE-1839660028 [0,0,0,1,0,0|3,0,0]=4 459 B8R1.2 OCC1CCCCN1 MCULE-5190999833 [0,0,0,1,0,0|3,0,0]=4 460 B8R1.2 OCC1CCCCO1 MCULE-2390789074 [0,0,0,1,0,0|2,0,0]=3 461 B8R1.2 OCC1CCCCO1 MCULE-7483291767 [0,0,0,1,0,0|2,0,0]=3 462 B8R1.2 OCC1CCCCS1 MCULE-8533707311 [0,0,0,1,0,0|2,0,0]=3 463 B8R1.2 OCC1CCCNC1 MCULE-1126180349 [0,0,0,1,0,0|3,0,0]=4 464 B8R1.2 OCC1CCCNC1 MCULE-1796388857 [0,0,0,1,0,0|3,0,0]=4 465 B8R1.2 OCC1CCCNC1 MCULE-3885962581 [0,0,0,1,0,0|3,0,0]=4 466 B8R1.2 OCC1CCCNC1 MCULE-9246039906 [0,0,0,1,0,0|3,0,0]=4 467 B8R1.2 OCC1CCCOC1 MCULE-6464024960 [0,0,0,1,0,0|2,1,0]=4 468 B8R1.2 OCC1CCCOC1 MCULE-9624599290 [0,0,0,1,0,0|2,1,0]=4 469 B8R1.2 OCC1CCCSC1 MCULE-1730158244 [0,0,0,1,0,0|2,0,0]=3 470 B8R1.2 OCC1CCNCO1 MCULE-2495139428 [0,0,0,1,0,0|3,0,0]=4 471 B8R1.2 OCC1CCNCO1 MCULE-8567556837 [0,0,0,1,0,0|3,0,0]=4 472 B8R1.2 OCC1CCOCO1 MCULE-2733488185 [0,0,0,1,0,0|3,0,0]=4 473 B8R1.2 OCC1CNCCN1 MCULE-1401587868 [0,0,0,1,0,0|3,0,0]=4 474 B8R1.2 OCC1CNCCN1 MCULE-7423856879 [0,0,0,1,0,0|3,0,0]=4 475 B8R1.2 OCC1CNCCN1 MCULE-8309538868 [0,0,0,1,0,0|3,0,0]=4 476 B8R1.2 OCC1CNCCN1 MCULE-9359285661 [0,0,0,1,0,0|3,0,0]=4 477 B8R1.2 OCC1CNCCO1 MCULE-1938288280 [0,0,0,1,0,0|2,0,0]=3 478 B8R1.2 OCC1CNCCO1 MCULE-7041892647 [0,0,0,1,0,0|2,0,0]=3 479 B8R1.2 OCC1CNCCO1 MCULE-8873542150 [0,0,0,1,0,0|2,0,0]=3 480 B8R1.2 OCC1CNCCO1 MCULE-9279337391 [0,0,0,1,0,0|2,0,0]=3 481 B8R1.2 OCC1COCCN1 MCULE-1141875416 [0,0,0,1,0,0|2,1,0]=4 482 B8R1.2 OCC1COCCN1 MCULE-2383049328 [0,0,0,1,0,0|2,1,0]=4 483 B8R1.2 OCC1COCCN1 MCULE-3747324792 [0,0,0,1,0,0|2,1,0]=4 484 B8R1.2 OCC1COCCN1 MCULE-8656197859 [0,0,0,1,0,0|2,1,0]=4 485 B8R1.2 OCC1COCCO1 MCULE-3788845525 [0,0,0,1,0,0|1,1,0]=3 486 B8R1.2 OCC1COCCO1 MCULE-5558091087 [0,0,0,1,0,0|1,1,0]=3 487 B8R1.2 OCC1CSCCN1 MCULE-9615907863 [0,0,0,1,0,0|2,0,0]=3 488 B8R1.2 OCC1OCCCO1 MCULE-6150110813 [0,0,0,1,0,0|1,1,0]=3 489 B8R1.2 OC[C@@H]1CCCCN1 MCULE-6170192975 [0,0,0,1,0,0|3,0,0]=4 490 B8R1.2 OC[C@@H]1CCCCN1 MCULE-7805438267 [0,0,0,1,0,0|3,0,0]=4 491 B8R1.2 OC[C@@H]1CCCCN1 MCULE-8160671578 [0,0,0,1,0,0|3,0,0]=4 492 B8R1.2 OC[C@@H]1CCCCO1 MCULE-5978396739 [0,0,0,1,0,0|2,0,0]=3 493 B8R1.2 OC[C@@H]1CCCCO1 MCULE-8715909099 [0,0,0,1,0,0|2,0,0]=3 494 B8R1.2 OC[C@@H]1CCCNC1 MCULE-1362591489 [0,0,0,1,0,0|3,0,0]=4 495 B8R1.2 OC[C@@H]1CCCNC1 MCULE-2943211570 [0,0,0,1,0,0|3,0,0]=4 496 B8R1.2 OC[C@@H]1CCCNC1 MCULE-8452110091 [0,0,0,1,0,0|3,0,0]=4 497 B8R1.2 OC[C@@H]1CCCNC1 MCULE-9511978382 [0,0,0,1,0,0|3,0,0]=4 498 B8R1.2 OC[C@@H]1CCCOC1 MCULE-5580637299 [0,0,0,1,0,0|2,1,0]=4 499 B8R1.2 OC[C@@H]1CCCOC1 MCULE-9673827278 [0,0,0,1,0,0|2,1,0]=4 500 B8R1.2 OC[C@@H]1CNCCN1 MCULE-3656110325 [0,0,0,1,0,0|3,0,0]=4 501 B8R1.2 OC[C@@H]1CNCCN1 MCULE-7030471384 [0,0,0,1,0,0|3,0,0]=4 502 B8R1.2 OC[C@@H]1CNCCN1 MCULE-7465480170 [0,0,0,1,0,0|3,0,0]=4 503 B8R1.2 OC[C@@H]1CNCCN1 MCULE-9542102138 [0,0,0,1,0,0|3,0,0]=4 504 B8R1.2 OC[C@@H]1CNCCO1 MCULE-5428209505 [0,0,0,1,0,0|2,0,0]=3 505 B8R1.2 OC[C@@H]1CNCCO1 MCULE-6006812099 [0,0,0,1,0,0|2,0,0]=3 506 B8R1.2 OC[C@@H]1CNCCO1 MCULE-6118730357 [0,0,0,1,0,0|2,0,0]=3 507 B8R1.2 OC[C@@H]1CNCCO1 MCULE-9753568594 [0,0,0,1,0,0|2,0,0]=3 508 B8R1.2 OC[C@@H]1COCCN1 MCULE-2260461335 [0,0,0,1,0,0|2,1,0]=4 509 B8R1.2 OC[C@@H]1COCCN1 MCULE-7365178843 [0,0,0,1,0,0|2,1,0]=4 510 B8R1.2 OC[C@@H]1COCCN1 MCULE-8155625467 [0,0,0,1,0,0|2,1,0]=4 511 B8R1.2 OC[C@@H]1COCCN1 MCULE-9822056975 [0,0,0,1,0,0|2,1,0]=4 512 B8R1.2 OC[C@@H]1COCCO1 MCULE-5847134890 [0,0,0,1,0,0|1,1,0]=3 513 B8R1.2 OC[C@@H]1COCCO1 MCULE-6096501847 [0,0,0,1,0,0|1,1,0]=3 514 B8R1.2 OC[C@H]1CCCCN1 MCULE-1585224164 [0,0,0,1,0,0|3,0,0]=4 515 B8R1.2 OC[C@H]1CCCCN1 MCULE-2860177964 [0,0,0,1,0,0|3,0,0]=4 516 B8R1.2 OC[C@H]1CCCCO1 MCULE-4700719427 [0,0,0,1,0,0|2,0,0]=3 517 B8R1.2 OC[C@H]1CCCCO1 MCULE-7990169259 [0,0,0,1,0,0|2,0,0]=3 518 B8R1.2 OC[C@H]1CCCNC1 MCULE-3504380705 [0,0,0,1,0,0|3,0,0]=4 519 B8R1.2 OC[C@H]1CCCNC1 MCULE-6518143765 [0,0,0,1,0,0|3,0,0]=4 520 B8R1.2 OC[C@H]1CCCNC1 MCULE-6752674060 [0,0,0,1,0,0|3,0,0]=4 521 B8R1.2 OC[C@H]1CCCNC1 MCULE-9392193352 [0,0,0,1,0,0|3,0,0]=4 522 B8R1.2 OC[C@H]1CCCOC1 MCULE-8066618329 [0,0,0,1,0,0|2,1,0]=4 523 B8R1.2 OC[C@H]1CCCOC1 MCULE-8831105119 [0,0,0,1,0,0|2,1,0]=4 524 B8R1.2 OC[C@H]1CNCCN1 MCULE-2062612556 [0,0,0,1,0,0|3,0,0]=4 525 B8R1.2 OC[C@H]1CNCCN1 MCULE-3003505442 [0,0,0,1,0,0|3,0,0]=4 526 B8R1.2 OC[C@H]1CNCCN1 MCULE-3400481255 [0,0,0,1,0,0|3,0,0]=4 527 B8R1.2 OC[C@H]1CNCCN1 MCULE-5683382374 [0,0,0,1,0,0|3,0,0]=4 528 B8R1.2 OC[C@H]1CNCCN1 MCULE-8795905011 [0,0,0,1,0,0|3,0,0]=4 529 B8R1.2 OC[C@H]1CNCCO1 MCULE-2083087681 [0,0,0,1,0,0|2,0,0]=3 530 B8R1.2 OC[C@H]1CNCCO1 MCULE-2399844881 [0,0,0,1,0,0|2,0,0]=3 531 B8R1.2 OC[C@H]1CNCCO1 MCULE-5372536833 [0,0,0,1,0,0|2,0,0]=3 532 B8R1.2 OC[C@H]1CNCCO1 MCULE-9994722027 [0,0,0,1,0,0|2,0,0]=3 533 B8R1.2 OC[C@H]1COCCN1 MCULE-2570187475 [0,0,0,1,0,0|2,1,0]=4 534 B8R1.2 OC[C@H]1COCCN1 MCULE-5479794518 [0,0,0,1,0,0|2,1,0]=4 535 B8R1.2 OC[C@H]1COCCN1 MCULE-5550353523 [0,0,0,1,0,0|2,1,0]=4 536 B8R1.2 OC[C@H]1COCCN1 MCULE-6091772249 [0,0,0,1,0,0|2,1,0]=4 537 B8R1.2 OC[C@H]1COCCO1 MCULE-1373070349 [0,0,0,1,0,0|1,1,0]=3 538 B8R1.2 OC[C@H]1COCCO1 MCULE-9271539014 [0,0,0,1,0,0|1,1,0]=3 539 B8R1.5 CC1CCCCC1O MCULE-2704647488 [0,0,0,1,0,0|3,0,0]=4 540 B8R1.5 CC1CCNCC1O MCULE-5450375148 [0,0,0,1,0,0|3,0,0]=4 541 B8R1.5 CC1CCNCC1O MCULE-5649027214 [0,0,0,1,0,0|3,0,0]=4 542 B8R1.5 CC1CNCCC1O MCULE-1960718296 [0,0,0,1,0,0|3,0,0]=4 543 B8R1.5 CC1CNCCC1O MCULE-8434519185 [0,0,0,1,0,0|3,0,0]=4 544 B8R1.5 CC1COCCC1O MCULE-9430778912 [0,0,0,1,0,0|2,1,0]=4 545 B8R1.5 C[C@@H]1CCCC[C@@H]1O MCULE-3547716632 [0,0,0,1,0,0|3,0,0]=4 546 B8R1.5 C[C@@H]1CCCC[C@@H]1O MCULE-9259793572 [0,0,0,1,0,0|3,0,0]=4 547 B8R1.5 C[C@@H]1CCNC[C@@H]1O MCULE-6946702609 [0,0,0,1,0,0|3,0,0]=4 548 B8R1.5 C[C@@H]1CCNC[C@@H]1O MCULE-7899767253 [0,0,0,1,0,0|3,0,0]=4 549 B8R1.5 C[C@@H]1CCNC[C@@H]1O MCULE-9159305922 [0,0,0,1,0,0|3,0,0]=4 550 B8R1.5 C[C@@H]1CCNC[C@@H]1O MCULE-9391376462 [0,0,0,1,0,0|3,0,0]=4 551 B8R1.5 C[C@@H]1CCNC[C@H]1O MCULE-4706073937 [0,0,0,1,0,0|3,0,0]=4 552 B8R1.5 C[C@@H]1CCNC[C@H]1O MCULE-5188621987 [0,0,0,1,0,0|3,0,0]=4 553 B8R1.5 C[C@@H]1CCNC[C@H]1O MCULE-6031430878 [0,0,0,1,0,0|3,0,0]=4 554 B8R1.5 C[C@@H]1CCNC[C@H]1O MCULE-8311134495 [0,0,0,1,0,0|3,0,0]=4 555 B8R1.5 C[C@@H]1CNCC[C@H]1O MCULE-1211656855 [0,0,0,1,0,0|3,0,0]=4 556 B8R1.5 C[C@@H]1CNCC[C@H]1O MCULE-8887033073 [0,0,0,1,0,0|3,0,0]=4 557 B8R1.5 C[C@H]1CCCC[C@@H]1O MCULE-4879328575 [0,0,0,1,0,0|3,0,0]=4 558 B8R1.5 C[C@H]1CCCC[C@@H]1O MCULE-7331434797 [0,0,0,1,0,0|3,0,0]=4 559 B8R1.5 C[C@H]1CCNC[C@@H]1O MCULE-2413866964 [0,0,0,1,0,0|3,0,0]=4 560 B8R1.5 C[C@H]1CCNC[C@@H]1O MCULE-3541397142 [0,0,0,1,0,0|3,0,0]=4 561 B8R1.5 C[C@H]1CCNC[C@@H]1O MCULE-4524645861 [0,0,0,1,0,0|3,0,0]=4 562 B8R1.5 C[C@H]1CCNC[C@@H]1O MCULE-4989324272 [0,0,0,1,0,0|3,0,0]=4 563 B8R1.5 C[C@H]1CCNC[C@H]1O MCULE-6149485279 [0,0,0,1,0,0|3,0,0]=4 564 B8R1.5 C[C@H]1CCNC[C@H]1O MCULE-9609136161 [0,0,0,1,0,0|3,0,0]=4 565 B8R1.5 C[C@H]1CNCC[C@@H]1O MCULE-1418189839 [0,0,0,1,0,0|3,0,0]=4 566 B8R1.5 C[C@H]1CNCC[C@@H]1O MCULE-2162007646 [0,0,0,1,0,0|3,0,0]=4 567 B8R1.5 C[C@H]1CNCC[C@@H]1O MCULE-4884869364 [0,0,0,1,0,0|3,0,0]=4 568 B8R1.5 C[C@H]1CNCC[C@@H]1O MCULE-9707177849 [0,0,0,1,0,0|3,0,0]=4 569 B8R1.5 C[C@H]1CNCC[C@H]1O MCULE-1909814972 [0,0,0,1,0,0|3,0,0]=4 570 B8R1.5 C[C@H]1CNCC[C@H]1O MCULE-8202226496 [0,0,0,1,0,0|3,0,0]=4 571 B8R1.5 C[C@H]1CNCC[C@H]1O MCULE-9674887824 [0,0,0,1,0,0|3,0,0]=4 572 B8R1.5 C[C@H]1CNCC[C@H]1O MCULE-9888495251 [0,0,0,1,0,0|3,0,0]=4 573 B8R1.5 NC1CCCCC1O MCULE-1427424523 [0,0,0,1,0,0|3,0,0]=4 574 B8R1.5 NC1CCCCC1O MCULE-2793336591 [0,0,0,1,0,0|3,0,0]=4 575 B8R1.5 NC1CCNCC1O MCULE-2705091841 [0,0,0,1,0,0|3,0,0]=4 576 B8R1.5 NC1CCOCC1O MCULE-2815184899 [0,0,0,1,0,0|2,1,0]=4 577 B8R1.5 NC1CCOCC1O MCULE-4548392204 [0,0,0,1,0,0|2,1,0]=4 578 B8R1.5 NC1COCCC1O MCULE-6374385354 [0,0,0,1,0,0|2,1,0]=4 579 B8R1.5 NC1COCCC1O MCULE-7944406292 [0,0,0,1,0,0|2,1,0]=4 580 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-2753918610 [0,0,0,1,0,0|3,0,0]=4 581 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-2761271370 [0,0,0,1,0,0|3,0,0]=4 582 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-4978213189 [0,0,0,1,0,0|3,0,0]=4 583 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-9182719952 [0,0,0,1,0,0|3,0,0]=4 584 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-1509174959 [0,0,0,1,0,0|3,0,0]=4 585 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-2336529349 [0,0,0,1,0,0|3,0,0]=4 586 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-4732604931 [0,0,0,1,0,0|3,0,0]=4 587 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-6124510830 [0,0,0,1,0,0|3,0,0]=4 588 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-7301593250 [0,0,0,1,0,0|3,0,0]=4 589 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-8501577810 [0,0,0,1,0,0|3,0,0]=4 590 B8R1.5 N[C@@H]1CCNC[C@H]1O MCULE-1435526553 [0,0,0,1,0,0|3,0,0]=4 591 B8R1.5 N[C@@H]1CCNC[C@H]1O MCULE-8731873892 [0,0,0,1,0,0|3,0,0]=4 592 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-1888816293 [0,0,0,1,0,0|2,1,0]=4 593 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3667258867 [0,0,0,1,0,0|2,1,0]=4 594 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3915823883 [0,0,0,1,0,0|2,1,0]=4 595 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-9959521476 [0,0,0,1,0,0|2,1,0]=4 596 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-1071839837 [0,0,0,1,0,0|2,1,0]=4 597 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-6051401821 [0,0,0,1,0,0|2,1,0]=4 598 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-7013720281 [0,0,0,1,0,0|2,1,0]=4 599 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-8477518337 [0,0,0,1,0,0|2,1,0]=4 600 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-1031623201 [0,0,0,1,0,0|2,1,0]=4 601 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-2846030882 [0,0,0,1,0,0|2,1,0]=4 602 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-8863364874 [0,0,0,1,0,0|2,1,0]=4 603 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-9836639365 [0,0,0,1,0,0|2,1,0]=4 604 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-4436769496 [0,0,0,1,0,0|2,1,0]=4 605 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-6163244980 [0,0,0,1,0,0|2,1,0]=4 606 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-8697534407 [0,0,0,1,0,0|2,1,0]=4 607 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-9625047427 [0,0,0,1,0,0|2,1,0]=4 608 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-1277967673 [0,0,0,1,0,0|3,0,0]=4 609 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-1301750612 [0,0,0,1,0,0|3,0,0]=4 610 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-3861922722 [0,0,0,1,0,0|3,0,0]=4 611 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-8489439004 [0,0,0,1,0,0|3,0,0]=4 612 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-1599409645 [0,0,0,1,0,0|3,0,0]=4 613 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-3318800690 [0,0,0,1,0,0|3,0,0]=4 614 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-4235445104 [0,0,0,1,0,0|3,0,0]=4 615 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-6518289705 [0,0,0,1,0,0|3,0,0]=4 616 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-6606691116 [0,0,0,1,0,0|3,0,0]=4 617 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-9979333085 [0,0,0,1,0,0|3,0,0]=4 618 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-1217623714 [0,0,0,1,0,0|2,1,0]=4 619 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4607259008 [0,0,0,1,0,0|2,1,0]=4 620 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4749541215 [0,0,0,1,0,0|2,1,0]=4 621 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-9683658087 [0,0,0,1,0,0|2,1,0]=4 622 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1807586879 [0,0,0,1,0,0|2,1,0]=4 623 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1937023434 [0,0,0,1,0,0|2,1,0]=4 624 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4374635229 [0,0,0,1,0,0|2,1,0]=4 625 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4873019238 [0,0,0,1,0,0|2,1,0]=4 626 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-1937054893 [0,0,0,1,0,0|2,1,0]=4 627 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-4877924283 [0,0,0,1,0,0|2,1,0]=4 628 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-6674323819 [0,0,0,1,0,0|2,1,0]=4 629 B8R1.5 N[C@H]1COCC[C@H]1O MCULE-7305089306 [0,0,0,1,0,0|2,1,0]=4 630 B8R1.5 N[C@H]1COCC[C@H]1O MCULE-8372108333 [0,0,0,1,0,0|2,1,0]=4 631 B8R1.5 OC1CCCCC1Cl MCULE-8650942069 [0,0,0,1,0,0|3,0,0]=4 632 B8R1.5 OC1CCCCC1F MCULE-7634543650 [0,0,0,1,0,0|3,0,0]=4 633 B8R1.5 OC1CCCCC1O MCULE-2967360901 [0,0,0,1,0,0|2,0,0]=3 634 B8R1.5 OC1CCNCC1F MCULE-3466397366 [0,0,0,1,0,0|3,0,0]=4 635 B8R1.5 OC1CCNCC1F MCULE-8065194779 [0,0,0,1,0,0|3,0,0]=4 636 B8R1.5 OC1CCNCC1O MCULE-3039573850 [0,0,0,1,0,0|2,0,0]=3 637 B8R1.5 OC1CCNCC1O MCULE-8828122539 [0,0,0,1,0,0|2,0,0]=3 638 B8R1.5 OC1CCOCC1F MCULE-6531880501 [0,0,0,1,0,0|2,1,0]=4 639 B8R1.5 OC1CNCCC1F MCULE-2946280821 [0,0,0,1,0,0|3,0,0]=4 640 B8R1.5 OC1CNCCC1F MCULE-3493148821 [0,0,0,1,0,0|3,0,0]=4 641 B8R1.5 OC1CSSCC1O MCULE-3716589710 [0,0,0,1,0,0|0,0,0]=1 642 B8R1.5 O[C@@H]1CCCC[C@H]1F MCULE-2305949625 [0,0,0,1,0,0|3,0,0]=4 643 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-3067807104 [0,0,0,1,0,0|2,0,0]=3 644 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-3429096841 [0,0,0,1,0,0|2,0,0]=3 645 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-9892753066 [0,0,0,1,0,0|2,0,0]=3 646 B8R1.5 O[C@@H]1CCCC[C@H]1S MCULE-6222162383 [0,0,0,1,0,0|2,1,0]=4 647 B8R1.5 O[C@@H]1CCNC[C@@H]1F MCULE-3951980250 [0,0,0,1,0,0|3,0,0]=4 648 B8R1.5 O[C@@H]1CCNC[C@@H]1F MCULE-4022160407 [0,0,0,1,0,0|3,0,0]=4 649 B8R1.5 O[C@@H]1CCNC[C@@H]1F MCULE-7163743424 [0,0,0,1,0,0|3,0,0]=4 650 B8R1.5 O[C@@H]1CCNC[C@@H]1F MCULE-9380154478 [0,0,0,1,0,0|3,0,0]=4 651 B8R1.5 O[C@@H]1CCNC[C@H]1F MCULE-2399390264 [0,0,0,1,0,0|3,0,0]=4 652 B8R1.5 O[C@@H]1CCNC[C@H]1F MCULE-6405573375 [0,0,0,1,0,0|3,0,0]=4 653 B8R1.5 O[C@@H]1CCNC[C@H]1F MCULE-7590255724 [0,0,0,1,0,0|3,0,0]=4 654 B8R1.5 O[C@@H]1CCNC[C@H]1F MCULE-8845231230 [0,0,0,1,0,0|3,0,0]=4 655 B8R1.5 O[C@@H]1CCNC[C@H]1O MCULE-3688872623 [0,0,0,1,0,0|2,0,0]=3 656 B8R1.5 O[C@@H]1CCNC[C@H]1O MCULE-5098984807 [0,0,0,1,0,0|2,0,0]=3 657 B8R1.5 O[C@@H]1CCOC[C@@H]1F MCULE-1035298575 [0,0,0,1,0,0|2,1,0]=4 658 B8R1.5 O[C@@H]1CCOC[C@@H]1F MCULE-7549327189 [0,0,0,1,0,0|2,1,0]=4 659 B8R1.5 O[C@@H]1CCOC[C@H]1F MCULE-5919881662 [0,0,0,1,0,0|2,1,0]=4 660 B8R1.5 O[C@@H]1CNCC[C@@H]1F MCULE-1622561753 [0,0,0,1,0,0|3,0,0]=4 661 B8R1.5 O[C@@H]1CNCC[C@@H]1F MCULE-6945313787 [0,0,0,1,0,0|3,0,0]=4 662 B8R1.5 O[C@@H]1CNCC[C@H]1F MCULE-3612777118 [0,0,0,1,0,0|3,0,0]=4 663 B8R1.5 O[C@@H]1CNCC[C@H]1F MCULE-5621905223 [0,0,0,1,0,0|3,0,0]=4 664 B8R1.5 O[C@@H]1CNCC[C@H]1F MCULE-6188298332 [0,0,0,1,0,0|3,0,0]=4 665 B8R1.5 O[C@@H]1CNCC[C@H]1F MCULE-7586426338 [0,0,0,1,0,0|3,0,0]=4 666 B8R1.5 O[C@@H]1CSSC[C@H]1O MCULE-2981026113 [0,0,0,1,0,0|0,0,0]=1 667 B8R1.5 O[C@H]1CCCC[C@@H]1F MCULE-7833708338 [0,0,0,1,0,0|3,0,0]=4 668 B8R1.5 O[C@H]1CCCC[C@@H]1O MCULE-7078207162 [0,0,0,1,0,0|2,0,0]=3 669 B8R1.5 O[C@H]1CCCC[C@@H]1O MCULE-9836847707 [0,0,0,1,0,0|2,0,0]=3 670 B8R1.5 O[C@H]1CCCC[C@H]1Br MCULE-8133807743 [0,0,0,1,0,0|3,0,0]=4 671 B8R1.5 O[C@H]1CCCC[C@H]1O MCULE-3539097516 [0,0,0,1,0,0|2,0,0]=3 672 B8R1.5 O[C@H]1CCNC[C@@H]1F MCULE-1808200479 [0,0,0,1,0,0|3,0,0]=4 673 B8R1.5 O[C@H]1CCNC[C@@H]1F MCULE-5879546904 [0,0,0,1,0,0|3,0,0]=4 674 B8R1.5 O[C@H]1CCNC[C@@H]1F MCULE-7720582046 [0,0,0,1,0,0|3,0,0]=4 675 B8R1.5 O[C@H]1CCNC[C@@H]1F MCULE-9733376385 [0,0,0,1,0,0|3,0,0]=4 676 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-1740802653 [0,0,0,1,0,0|2,0,0]=3 677 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-5396588753 [0,0,0,1,0,0|2,0,0]=3 678 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-6762598540 [0,0,0,1,0,0|2,0,0]=3 679 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-9747818285 [0,0,0,1,0,0|2,0,0]=3 680 B8R1.5 O[C@H]1CCNC[C@H]1F MCULE-2742864171 [0,0,0,1,0,0|3,0,0]=4 681 B8R1.5 O[C@H]1CCNC[C@H]1F MCULE-4720397627 [0,0,0,1,0,0|3,0,0]=4 682 B8R1.5 O[C@H]1CCNC[C@H]1F MCULE-7747536704 [0,0,0,1,0,0|3,0,0]=4 683 B8R1.5 O[C@H]1CCNC[C@H]1F MCULE-9341492038 [0,0,0,1,0,0|3,0,0]=4 684 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-2865586489 [0,0,0,1,0,0|2,0,0]=3 685 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-6097537639 [0,0,0,1,0,0|2,0,0]=3 686 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-8152004203 [0,0,0,1,0,0|2,0,0]=3 687 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-8500578666 [0,0,0,1,0,0|2,0,0]=3 688 B8R1.5 O[C@H]1CCOC[C@@H]1F MCULE-6227313100 [0,0,0,1,0,0|2,1,0]=4 689 B8R1.5 O[C@H]1CCOC[C@@H]1F MCULE-8454301102 [0,0,0,1,0,0|2,1,0]=4 690 B8R1.5 O[C@H]1CCOC[C@H]1F MCULE-6598998730 [0,0,0,1,0,0|2,1,0]=4 691 B8R1.5 O[C@H]1CCOC[C@H]1F MCULE-7224746770 [0,0,0,1,0,0|2,1,0]=4 692 B8R1.5 O[C@H]1CCOC[C@H]1F MCULE-7648243504 [0,0,0,1,0,0|2,1,0]=4 693 B8R1.5 O[C@H]1CNCC[C@@H]1F MCULE-1003695930 [0,0,0,1,0,0|3,0,0]=4 694 B8R1.5 O[C@H]1CNCC[C@@H]1F MCULE-2595427193 [0,0,0,1,0,0|3,0,0]=4 695 B8R1.5 O[C@H]1CNCC[C@@H]1F MCULE-4420509139 [0,0,0,1,0,0|3,0,0]=4 696 B8R1.5 O[C@H]1CNCC[C@H]1F MCULE-1178411420 [0,0,0,1,0,0|3,0,0]=4 697 B8R1.5 O[C@H]1CNCC[C@H]1F MCULE-1550810398 [0,0,0,1,0,0|3,0,0]=4 698 B8R1.5 O[C@H]1CNCC[C@H]1F MCULE-9461941348 [0,0,0,1,0,0|3,0,0]=4 699 B8R1.5 O[C@H]1CNCC[C@H]1F MCULE-9787124381 [0,0,0,1,0,0|3,0,0]=4 700 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-2884977174 [0,0,0,1,0,0|2,0,0]=3 701 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-4059971580 [0,0,0,1,0,0|2,0,0]=3 702 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-4860264041 [0,0,0,1,0,0|2,0,0]=3 703 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-5794552949 [0,0,0,1,0,0|2,0,0]=3 704 B8R1.5 O[C@H]1CNNC[C@@H]1O MCULE-7867785160 [0,0,0,1,0,0|2,0,0]=3 705 B8R1.5 O[C@H]1CSSC[C@@H]1O MCULE-2785197932 [0,0,0,1,0,0|0,0,0]=1 706 B8R1.5 O[C@H]1CSSC[C@@H]1O MCULE-5975753187 [0,0,0,1,0,0|0,0,0]=1 707 B8R1.5 [C@@H]1(CCNC[C@@H]1F)O MCULE-4552431818 [0,0,0,1,0,0|3,0,0]=4 708 B8R1.5 [C@@H]1(CCNC[C@@H]1F)O MCULE-6293331305 [0,0,0,1,0,0|3,0,0]=4 709 B8R1.5 [C@@H]1(CCNC[C@H]1F)O MCULE-2598494094 [0,0,0,1,0,0|3,0,0]=4 710 B8R1.5 [C@@H]1(CCNC[C@H]1F)O MCULE-9897987946 [0,0,0,1,0,0|3,0,0]=4 711 B8R1.5 [C@@H]1(CCNC[C@H]1O)C MCULE-2307148539 [0,0,0,1,0,0|3,0,0]=4 712 B8R1.5 [C@@H]1(CCNC[C@H]1O)C MCULE-7550947729 [0,0,0,1,0,0|3,0,0]=4 713 B8R1.5 [C@@H]1(CCOC[C@@H]1O)N MCULE-2201413833 [0,0,0,1,0,0|2,1,0]=4 714 B8R1.5 [C@@H]1(CCOC[C@H]1N)O MCULE-7745052941 [0,0,0,1,0,0|2,1,0]=4 715 B8R1.5 [C@@H]1(CNCC[C@@H]1F)O MCULE-6806325155 [0,0,0,1,0,0|3,0,0]=4 716 B8R1.5 [C@@H]1(CNCC[C@@H]1F)O MCULE-8351727587 [0,0,0,1,0,0|3,0,0]=4 717 B8R1.5 [C@@H]1(CNCC[C@@H]1F)O MCULE-9141886243 [0,0,0,1,0,0|3,0,0]=4 718 B8R1.5 [C@@H]1(CNCC[C@H]1O)O MCULE-7522153539 [0,0,0,1,0,0|2,0,0]=3 719 B8R1.5 [C@@H]1(CNCC[C@H]1O)O MCULE-8922491067 [0,0,0,1,0,0|2,0,0]=3 720 B8R1.5 [C@@H]1(COCC[C@@H]1O)N MCULE-2864950342 [0,0,0,1,0,0|2,1,0]=4 721 B8R1.5 [C@H]1(CCCC[C@H]1F)O MCULE-7751753244 [0,0,0,1,0,0|3,0,0]=4 722 B8R1.5 [C@H]1(CCNC[C@H]1O)O MCULE-2825513554 [0,0,0,1,0,0|2,0,0]=3 723 B8R1.5 [C@H]1(CCNC[C@H]1O)O MCULE-3902017522 [0,0,0,1,0,0|2,0,0]=3 724 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-3291339796 [0,0,0,1,0,0|2,1,0]=4 725 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-5641035715 [0,0,0,1,0,0|2,1,0]=4 726 B8R1.5 [C@H]1(CNCC[C@H]1C)O MCULE-8053222550 [0,0,0,1,0,0|3,0,0]=4 727 B8R1.5 [C@H]1(CNCC[C@H]1C)O MCULE-9640568177 [0,0,0,1,0,0|3,0,0]=4 728 B8R1.5 [C@H]1(CNCC[C@H]1O)C MCULE-1419969909 [0,0,0,1,0,0|3,0,0]=4 729 B8R1.5 [C@H]1(CNCC[C@H]1O)C MCULE-1584116117 [0,0,0,1,0,0|3,0,0]=4 730 B8R1.5 [C@H]1(CNCC[C@H]1O)C MCULE-2275992252 [0,0,0,1,0,0|3,0,0]=4 731 B8R1.5 [C@H]1(CNCC[C@H]1O)C MCULE-4151833845 [0,0,0,1,0,0|3,0,0]=4 732 B8R1.5 [C@H]1(COCC[C@H]1N)O MCULE-2088495989 [0,0,0,1,0,0|2,1,0]=4 733 B8R1.5 [C@H]1(COCC[C@H]1O)N MCULE-5409068801 [0,0,0,1,0,0|2,1,0]=4 734 B8R1.8 BrCCC1CCCO1 MCULE-6674503285 [0,0,0,1,0,0|3,0,0]=4 735 B8R1.8 BrCCC1OCCO1 MCULE-1320358835 [0,0,0,1,0,0|2,1,0]=4 736 B8R1.8 BrCCC1SCCS1 MCULE-4354448086 [0,0,0,1,0,0|2,1,0]=4 737 B8R1.8 CCCC1=NCCO1 MCULE-4941877816 [0,0,0,1,0,0|3,0,0]=4 738 B8R1.8 CCCC1=NCCS1 MCULE-8191971237 [0,0,0,1,0,0|3,0,0]=4 739 B8R1.8 CCCC1NCCS1 MCULE-7735624510 [0,0,0,1,0,0|3,0,0]=4 740 B8R1.8 CCCC1NCCS1 MCULE-9746675529 [0,0,0,1,0,0|3,0,0]=4 741 B8R1.8 CCCC1OCCO1 MCULE-1064235053 [0,0,0,1,0,0|2,1,0]=4 742 B8R1.8 CCCC1OCCS1 MCULE-4434497484 [0,0,0,1,0,0|2,0,0]=3 743 B8R1.8 ClCCC1CCCO1 MCULE-5564811515 [0,0,0,1,0,0|3,0,0]=4 744 B8R1.8 ClCCC1OCCO1 MCULE-2924209989 [0,0,0,1,0,0|2,1,0]=4 745 B8R1.8 ICCC1OCCO1 MCULE-9808523579 [0,0,0,1,0,0|2,1,0]=4 746 B8R1.8 NCCC1CCCO1 MCULE-3914619069 [0,0,0,1,0,0|3,0,0]=4 747 B8R1.8 NCCC1CCCS1 MCULE-7458730281 [0,0,0,1,0,0|3,0,0]=4 748 B8R1.8 NCCC1CCCS1 MCULE-8525017759 [0,0,0,1,0,0|3,0,0]=4 749 B8R1.8 NCCC1OCCO1 MCULE-1472103372 [0,0,0,1,0,0|2,1,0]=4 750 B8R1.8 NCCC1SCCS1 MCULE-3353609705 [0,0,0,1,0,0|2,1,0]=4 751 B8R1.8 NCC[C@H]1CCCO1 MCULE-2485674670 [0,0,0,1,0,0|3,0,0]=4 752 B8R1.8 NCC[C@H]1CCCO1 MCULE-3778854223 [0,0,0,1,0,0|3,0,0]=4 753 B8R1.8 OCCC1CCCC1 MCULE-3680571056 [0,0,0,1,0,0|3,0,0]=4 754 B8R1.8 OCCC1CCCN1 MCULE-3516684599 [0,0,0,1,0,0|3,0,0]=4 755 B8R1.8 OCCC1CCCN1 MCULE-7335032539 [0,0,0,1,0,0|3,0,0]=4 756 B8R1.8 OCCC1CCCO1 MCULE-4437776676 [0,0,0,1,0,0|2,0,0]=3 757 B8R1.8 OCCC1OCCO1 MCULE-8684226648 [0,0,0,1,0,0|1,1,0]=3 758 B8R1.8 OCCN1CCCC1 MCULE-5922471274 [0,0,0,1,0,0|3,0,0]=4 759 B8R1.8 OCCN1CCCC1 MCULE-7598437595 [0,0,0,1,0,0|3,0,0]=4 760 B8R1.8 OCC[C@@H]1CCCN1 MCULE-5399846336 [0,0,0,1,0,0|3,0,0]=4 761 B8R1.8 OCC[C@H]1CCCN1 MCULE-9442938016 [0,0,0,1,0,0|3,0,0]=4 762 B8R1.10 OCCCC1CCC1 MCULE-1577610703 [0,0,0,1,0,0|3,0,0]=4 763 B8R1.10 OCCCN1CCC1 MCULE-3262554415 [0,0,0,1,0,0|3,0,0]=4 764 B8R1.10 OCCNC1CCC1 MCULE-1766558913 [0,0,0,1,0,0|3,0,0]=4 765 B8R1.10 OCCOC1CCC1 MCULE-9865514831 [0,0,0,1,0,0|2,1,0]=4 766 B8R1.11 CC1CCCC1CO MCULE-9356546543 [0,0,0,1,0,0|3,0,0]=4 767 B8R1.11 CC1CCNC1CO MCULE-3727613396 [0,0,0,1,0,0|3,0,0]=4 768 B8R1.11 CC1CNCC1CO MCULE-2423357421 [0,0,0,1,0,0|3,0,0]=4 769 B8R1.11 CC1CNCC1CO MCULE-9628020162 [0,0,0,1,0,0|3,0,0]=4 770 B8R1.11 CC1COCC1CO MCULE-7218606126 [0,0,0,1,0,0|2,1,0]=4 771 B8R1.11 CCC1CNCC1O MCULE-2095082658 [0,0,0,1,0,0|3,0,0]=4 772 B8R1.11 CCC1NCCC1O MCULE-6141963287 [0,0,0,1,0,0|3,0,0]=4 773 B8R1.11 CCC1NCCC1O MCULE-9283391049 [0,0,0,1,0,0|3,0,0]=4 774 B8R1.11 C[C@@H]1CCN[C@@H]1CO MCULE-7458696223 [0,0,0,1,0,0|3,0,0]=4 775 B8R1.11 C[C@@H]1CCN[C@H]1CO MCULE-7407237429 [0,0,0,1,0,0|3,0,0]=4 776 B8R1.11 C[C@@H]1CNC[C@H]1CO MCULE-9810701855 [0,0,0,1,0,0|3,0,0]=4 777 B8R1.11 C[C@H]1CCN[C@@H]1CO MCULE-9913318158 [0,0,0,1,0,0|3,0,0]=4 778 B8R1.11 C[C@H]1CCN[C@H]1CO MCULE-4322110368 [0,0,0,1,0,0|3,0,0]=4 779 B8R1.11 C[C@H]1CNC[C@@H]1CO MCULE-2024872524 [0,0,0,1,0,0|3,0,0]=4 780 B8R1.11 C[C@H]1CNC[C@@H]1CO MCULE-3327012262 [0,0,0,1,0,0|3,0,0]=4 781 B8R1.11 C[C@H]1CNC[C@@H]1CO MCULE-4174376777 [0,0,0,1,0,0|3,0,0]=4 782 B8R1.11 C[C@H]1CNC[C@@H]1CO MCULE-4680966874 [0,0,0,1,0,0|3,0,0]=4 783 B8R1.11 C[C@H]1CNC[C@@H]1CO MCULE-8985861060 [0,0,0,1,0,0|3,0,0]=4 784 B8R1.11 NC1CCCC1CO MCULE-9652022908 [0,0,0,1,0,0|3,0,0]=4 785 B8R1.11 NC1COCC1CO MCULE-6651647999 [0,0,0,1,0,0|2,1,0]=4 786 B8R1.11 NCC1CCCC1O MCULE-6648305550 [0,0,0,1,0,0|3,0,0]=4 787 B8R1.11 NCC1COCC1O MCULE-7629136815 [0,0,0,1,0,0|2,1,0]=4 788 B8R1.11 NCC1COCC1O MCULE-9331285001 [0,0,0,1,0,0|2,1,0]=4 789 B8R1.11 NC[C@@H]1COC[C@@H]1O MCULE-1244186811 [0,0,0,1,0,0|2,1,0]=4 790 B8R1.11 NC[C@@H]1COC[C@@H]1O MCULE-6610306543 [0,0,0,1,0,0|2,1,0]=4 791 B8R1.11 NC[C@@H]1COC[C@H]1O MCULE-3050365915 [0,0,0,1,0,0|2,1,0]=4 792 B8R1.11 NC[C@@H]1COC[C@H]1O MCULE-7562651947 [0,0,0,1,0,0|2,1,0]=4 793 B8R1.11 NC[C@H]1COC[C@@H]1O MCULE-3389541880 [0,0,0,1,0,0|2,1,0]=4 794 B8R1.11 NC[C@H]1COC[C@@H]1O MCULE-4457950567 [0,0,0,1,0,0|2,1,0]=4 795 B8R1.11 NC[C@H]1COC[C@@H]1O MCULE-8588609893 [0,0,0,1,0,0|2,1,0]=4 796 B8R1.11 NC[C@H]1COC[C@@H]1O MCULE-9441669251 [0,0,0,1,0,0|2,1,0]=4 797 B8R1.11 NC[C@H]1COC[C@H]1O MCULE-8711391145 [0,0,0,1,0,0|2,1,0]=4 798 B8R1.11 NC[C@H]1COC[C@H]1O MCULE-9812036421 [0,0,0,1,0,0|2,1,0]=4 799 B8R1.11 N[C@@H]1CCC[C@H]1CO MCULE-7218353328 [0,0,0,1,0,0|3,0,0]=4 800 B8R1.11 N[C@@H]1COC[C@@H]1CO MCULE-8267820303 [0,0,0,1,0,0|2,1,0]=4 801 B8R1.11 N[C@@H]1COC[C@H]1CO MCULE-3070797384 [0,0,0,1,0,0|2,1,0]=4 802 B8R1.11 N[C@@H]1COC[C@H]1CO MCULE-4572096805 [0,0,0,1,0,0|2,1,0]=4 803 B8R1.11 N[C@H]1CCC[C@H]1CO MCULE-3793323277 [0,0,0,1,0,0|3,0,0]=4 804 B8R1.11 N[C@H]1CCC[C@H]1CO MCULE-5297422093 [0,0,0,1,0,0|3,0,0]=4 805 B8R1.11 N[C@H]1COC[C@@H]1CO MCULE-2948740480 [0,0,0,1,0,0|2,1,0]=4 806 B8R1.11 N[C@H]1COC[C@H]1CO MCULE-3409455124 [0,0,0,1,0,0|2,1,0]=4 807 B8R1.11 N[C@H]1COC[C@H]1CO MCULE-6058647833 [0,0,0,1,0,0|2,1,0]=4 808 B8R1.11 N[C@H]1COC[C@H]1CO MCULE-6847790594 [0,0,0,1,0,0|2,1,0]=4 809 B8R1.11 N[C@H]1COC[C@H]1CO MCULE-8456266436 [0,0,0,1,0,0|2,1,0]=4 810 B8R1.11 OCC1CCCC1O MCULE-7244611817 [0,0,0,1,0,0|2,0,0]=3 811 B8R1.11 OCC1CNCC1O MCULE-6800319532 [0,0,0,1,0,0|2,0,0]=3 812 B8R1.11 OCC1CNCC1O MCULE-8508401397 [0,0,0,1,0,0|2,0,0]=3 813 B8R1.11 OCC1NCCC1O MCULE-6288507636 [0,0,0,1,0,0|2,0,0]=3 814 B8R1.11 OCC1NCCC1O MCULE-6806405470 [0,0,0,1,0,0|2,0,0]=3 815 B8R1.11 OCC1OCCC1O MCULE-2601628372 [0,0,0,1,0,0|1,1,0]=3 816 B8R1.11 OC[C@@H]1CNC[C@@H]1O MCULE-4006152813 [0,0,0,1,0,0|2,0,0]=3 817 B8R1.11 OC[C@@H]1CNC[C@@H]1O MCULE-5884019743 [0,0,0,1,0,0|2,0,0]=3 818 B8R1.11 OC[C@@H]1CNC[C@H]1O MCULE-4276332736 [0,0,0,1,0,0|2,0,0]=3 819 B8R1.11 OC[C@@H]1CNC[C@H]1O MCULE-5570487527 [0,0,0,1,0,0|2,0,0]=3 820 B8R1.11 OC[C@@H]1NCC[C@@H]1O MCULE-8384230507 [0,0,0,1,0,0|2,0,0]=3 821 B8R1.11 OC[C@@H]1NCC[C@H]1O MCULE-3549294738 [0,0,0,1,0,0|2,0,0]=3 822 B8R1.11 OC[C@H]1CNC[C@@H]1O MCULE-4150422763 [0,0,0,1,0,0|2,0,0]=3 823 B8R1.11 OC[C@H]1CNC[C@@H]1O MCULE-4399626759 [0,0,0,1,0,0|2,0,0]=3 824 B8R1.11 OC[C@H]1CNC[C@H]1O MCULE-1964844966 [0,0,0,1,0,0|2,0,0]=3 825 B8R1.11 OC[C@H]1CNC[C@H]1O MCULE-2031563638 [0,0,0,1,0,0|2,0,0]=3 826 B8R1.11 OC[C@H]1CNC[C@H]1O MCULE-5072230521 [0,0,0,1,0,0|2,0,0]=3 827 B8R1.11 OC[C@H]1CNC[C@H]1O MCULE-6483520020 [0,0,0,1,0,0|2,0,0]=3 828 B8R1.11 OC[C@H]1NCC[C@@H]1O MCULE-3020492285 [0,0,0,1,0,0|2,0,0]=3 829 B8R1.11 OC[C@H]1NCC[C@@H]1O MCULE-4180813715 [0,0,0,1,0,0|2,0,0]=3 830 B8R1.11 OC[C@H]1NCC[C@@H]1O MCULE-8831128340 [0,0,0,1,0,0|2,0,0]=3 831 B8R1.11 OC[C@H]1NCC[C@@H]1O MCULE-9415023769 [0,0,0,1,0,0|2,0,0]=3 832 B8R1.11 OC[C@H]1NCC[C@H]1O MCULE-9396804561 [0,0,0,1,0,0|2,0,0]=3 833 B8R1.11 OC[C@H]1OC=C[C@@H]1O MCULE-7880756266 [0,0,0,1,0,0|1,1,1]=4 834 B8R1.11 OC[C@H]1OCC[C@@H]1O MCULE-4089527318 [0,0,0,1,0,0|1,1,0]=3 835 B8R1.11 OC[C@H]1OCC[C@@H]1O MCULE-9198335558 [0,0,0,1,0,0|1,1,0]=3 836 B8R1.11 [C@H]1(CCC[C@H]1CO)N MCULE-8523302139 [0,0,0,1,0,0|3,0,0]=4 837 B8R1.11 [C@H]1(COC[C@@H]1CN)O MCULE-1038770438 [0,0,0,1,0,0|2,1,0]=4 838 B8R1.11 [C@H]1(COC[C@H]1CN)O MCULE-3362382906 [0,0,0,1,0,0|2,1,0]=4 839 B8R1.11 [C@H]1(COC[C@H]1CN)O MCULE-8153203630 [0,0,0,1,0,0|2,1,0]=4 840 B8R1.12 C1(CCC1CO)CO MCULE-2925182914 [0,0,0,1,0,0|2,0,0]=3 841 B8R1.12 OC[C@@H]1CC[C@H]1CO MCULE-9248215797 [0,0,0,1,0,0|2,0,0]=3 842 B8R1.12 [C@@H]1(CC[C@H]1CO)CO MCULE-3818148307 [0,0,0,1,0,0|2,0,0]=3 843 B8R1.22 CC1CCSCCN1 MCULE-1424931121 [0,0,0,1,0,0|3,0,0]=4 844 B8R1.22 CC1CCSCCN1 MCULE-7513516501 [0,0,0,1,0,0|3,0,0]=4 845 B8R1.22 CC1CNCCCO1 MCULE-6836650488 [0,0,0,1,0,0|3,0,0]=4 846 B8R1.22 CC1CNCCCO1 MCULE-8246520743 [0,0,0,1,0,0|3,0,0]=4 847 B8R1.22 CC1CSCCCN1 MCULE-1217955281 [0,0,0,1,0,0|3,0,0]=4 848 B8R1.22 CC1CSCCCN1 MCULE-1651941633 [0,0,0,1,0,0|3,0,0]=4 849 B8R1.22 C[C@@H]1CCNCCO1 MCULE-4706490422 [0,0,0,1,0,0|3,0,0]=4 850 B8R1.22 C[C@@H]1CCNCCO1 MCULE-7769149413 [0,0,0,1,0,0|3,0,0]=4 851 B8R1.22 NC1CCCSCC1 MCULE-1327827987 [0,0,0,1,0,0|3,0,0]=4 852 B8R1.22 OC1CCCCCC1 MCULE-2514105258 [0,0,0,1,0,0|3,0,0]=4 853 B8R1.22 OC1CCCCNC1 MCULE-1190427956 [0,0,0,1,0,0|3,0,0]=4 854 B8R1.22 OC1CCCCNC1 MCULE-1421732173 [0,0,0,1,0,0|3,0,0]=4 855 B8R1.22 OC1CCCNCC1 MCULE-1004110838 [0,0,0,1,0,0|3,0,0]=4 856 B8R1.22 OC1CCCNCC1 MCULE-3791515829 [0,0,0,1,0,0|3,0,0]=4 857 B8R1.22 OC1CCCOCC1 MCULE-6712544119 [0,0,0,1,0,0|2,1,0]=4 858 B8R1.22 O[C@@H]1CCCCNC1 MCULE-1012232836 [0,0,0,1,0,0|3,0,0]=4 859 B8R1.22 O[C@@H]1CCCCNC1 MCULE-8021135676 [0,0,0,1,0,0|3,0,0]=4 860 B8R1.22 O[C@@H]1CCCNCC1 MCULE-4750880036 [0,0,0,1,0,0|3,0,0]=4 861 B8R1.22 O[C@@H]1CCCNCC1 MCULE-7818554188 [0,0,0,1,0,0|3,0,0]=4 862 B8R1.22 O[C@H]1CCCCNC1 MCULE-3979929214 [0,0,0,1,0,0|3,0,0]=4 863 B8R1.22 O[C@H]1CCCCNC1 MCULE-8051415954 [0,0,0,1,0,0|3,0,0]=4 864 B8R1.22 O[C@H]1CCCNCC1 MCULE-3288930041 [0,0,0,1,0,0|3,0,0]=4 865 B8R1.22 O[C@H]1CCCNCC1 MCULE-4775727156 [0,0,0,1,0,0|3,0,0]=4 866 B8R1.22 O[C@H]1CCCNCC1 MCULE-9319578978 [0,0,0,1,0,0|3,0,0]=4 867 B8R1.22 O[C@H]1CCCNCC1 MCULE-9853151234 [0,0,0,1,0,0|3,0,0]=4 868 B8R1.36 CCCCCC1CO1 MCULE-2249864409 [0,0,0,1,0,0|3,0,0]=4 869 B8R1.36 CCCOCC1CO1 MCULE-2437381651 [0,0,0,1,0,0|2,1,0]=4 870 B8R1.36 ClCCOCC1CO1 MCULE-1693262105 [0,0,0,1,0,0|2,1,0]=4 871 B8R1.36 NCCSCC1CC1 MCULE-5143437882 [0,0,0,1,0,0|3,0,0]=4 872 B8R1.36 OCCCCC1CC1 MCULE-6334640431 [0,0,0,1,0,0|3,0,0]=4 873 B8R1.36 OCCCCC1CO1 MCULE-4018278864 [0,0,0,1,0,0|2,0,0]=3 874 B8R1.36 OCCCNC1CC1 MCULE-6018017423 [0,0,0,1,0,0|3,0,0]=4 875 B8R1.36 OCCCSC1CC1 MCULE-6589388271 [0,0,0,1,0,0|2,0,0]=3 876 B8R1.36 OCCNCC1CC1 MCULE-8212551918 [0,0,0,1,0,0|3,0,0]=4 877 B8R1.36 OCCNCC1CC1 MCULE-9676786904 [0,0,0,1,0,0|3,0,0]=4 878 B8R1.36 OCCOCC1CC1 MCULE-5378966893 [0,0,0,1,0,0|2,1,0]=4 879 B8R1.36 OCCOCC1CO1 MCULE-2516554733 [0,0,0,1,0,0|1,1,0]=3 880 B8R1.49 C1CCOCCNC1 MCULE-9906602095 [0,0,0,1,0,0|3,0,0]=4 881 B8R1.49 C1CNCCCOC1 MCULE-8227528433 [0,0,0,1,0,0|3,0,0]=4 882 B5R0.2 BrCCCCBr MCULE-5088378536 [2,0,0,0,0,0|2,0,0]=4 883 B5R0.2 C#CCCCO MCULE-6360852809 [2,0,0,0,0,0|1,0,1]=4 884 B5R0.2 C#CCSCC MCULE-5718021970 [2,0,0,0,0,0|1,0,1]=4 885 B5R0.2 C/C=C/CCO MCULE-3952855392 [2,0,0,0,0,0|1,0,1]=4 886 B5R0.2 C=CCCCO MCULE-5946342321 [2,0,0,0,0,0|1,0,1]=4 887 B5R0.2 C=CCSCC MCULE-3816911529 [2,0,0,0,0,0|1,0,1]=4 888 B5R0.2 C=CCSSC MCULE-8417830164 [2,0,0,0,0,0|1,0,1]=4 889 B5R0.2 CC#CCCO MCULE-9400138491 [2,0,0,0,0,0|1,0,1]=4 890 B5R0.2 CC/C=C/CC MCULE-6762040186 [2,0,0,0,0,0|2,0,0]=4 891 B5R0.2 CC/C=C\CC MCULE-9418110460 [2,0,0,0,0,0|2,0,0]=4 892 B5R0.2 CC/C=C\CO MCULE-5480473249 [2,0,0,0,0,0|1,0,1]=4 893 B5R0.2 CC=CCCO MCULE-4302367089 [2,0,0,0,0,0|1,0,1]=4 894 B5R0.2 CCC#CCC MCULE-2027962178 [2,0,0,0,0,0|2,0,0]=4 895 B5R0.2 CCC#CCO MCULE-8633965917 [2,0,0,0,0,0|1,0,1]=4 896 B5R0.2 CCC=CCC MCULE-5435957422 [2,0,0,0,0,0|2,0,0]=4 897 B5R0.2 CCC=CCO MCULE-5633399984 [2,0,0,0,0,0|1,0,1]=4 898 B5R0.2 CCCCCBr MCULE-8513521912 [2,0,0,0,0,0|2,0,0]=4 899 B5R0.2 CCCCCC MCULE-3465692202 [2,0,0,0,0,0|2,0,0]=4 900 B5R0.2 CCCCCCl MCULE-4412759460 [2,0,0,0,0,0|2,0,0]=4 901 B5R0.2 CCCCCF MCULE-6399883281 [2,0,0,0,0,0|2,0,0]=4 902 B5R0.2 CCCCCI MCULE-4590300793 [2,0,0,0,0,0|2,0,0]=4 903 B5R0.2 CCCCCN MCULE-3371742982 [2,0,0,0,0,0|2,0,0]=4 904 B5R0.2 CCCCCN MCULE-4371067300 [2,0,0,0,0,0|2,0,0]=4 905 B5R0.2 CCCCCN MCULE-6547961798 [2,0,0,0,0,0|2,0,0]=4 906 B5R0.2 CCCCCN MCULE-7483248760 [2,0,0,0,0,0|2,0,0]=4 907 B5R0.2 CCCCCO MCULE-8714292632 [2,0,0,0,0,0|1,0,0]=3 908 B5R0.2 CCCCCS MCULE-5476379340 [2,0,0,0,0,0|1,1,0]=4 909 B5R0.2 CCCCNO MCULE-1911206569 [2,0,0,0,0,0|2,0,0]=4 910 B5R0.2 CCCCNO MCULE-3820646216 [2,0,0,0,0,0|2,0,0]=4 911 B5R0.2 CCCCSC MCULE-2799775567 [2,0,0,0,0,0|2,0,0]=4 912 B5R0.2 CCCNCC MCULE-7948828264 [2,0,0,0,0,0|2,0,0]=4 913 B5R0.2 CCCNCC MCULE-9107549207 [2,0,0,0,0,0|2,0,0]=4 914 B5R0.2 CCCOCC MCULE-9971916790 [2,0,0,0,0,0|1,1,0]=4 915 B5R0.2 CCCSCC MCULE-4547385568 [2,0,0,0,0,0|1,0,0]=3 916 B5R0.2 CCCSSC MCULE-3127072032 [2,0,0,0,0,0|1,0,0]=3 917 B5R0.2 CCNCCCl MCULE-2589770119 [2,0,0,0,0,0|2,0,0]=4 918 B5R0.2 CCNCCCl MCULE-3098032672 [2,0,0,0,0,0|2,0,0]=4 919 B5R0.2 CCNCCN MCULE-7854769899 [2,0,0,0,0,0|2,0,0]=4 920 B5R0.2 CCNCCO MCULE-2537734730 [2,0,0,0,0,0|1,0,0]=3 921 B5R0.2 CCNCCO MCULE-3738714907 [2,0,0,0,0,0|1,0,0]=3 922 B5R0.2 CCNNCC MCULE-4789314801 [2,0,0,0,0,0|2,0,0]=4 923 B5R0.2 CCNNCC MCULE-9060220585 [2,0,0,0,0,0|2,0,0]=4 924 B5R0.2 CCOCCBr MCULE-4818900555 [2,0,0,0,0,0|1,1,0]=4 925 B5R0.2 CCOCCCl MCULE-1290576729 [2,0,0,0,0,0|1,1,0]=4 926 B5R0.2 CCOCCI MCULE-1833092968 [2,0,0,0,0,0|1,1,0]=4 927 B5R0.2 CCOCCN MCULE-1254431240 [2,0,0,0,0,0|1,1,0]=4 928 B5R0.2 CCOCCN MCULE-4039110889 [2,0,0,0,0,0|1,1,0]=4 929 B5R0.2 CCOCCN MCULE-4400456933 [2,0,0,0,0,0|1,1,0]=4 930 B5R0.2 CCOCCO MCULE-4311513289 [2,0,0,0,0,0|0,1,0]=3 931 B5R0.2 CCOCCS MCULE-3968740645 [2,0,0,0,0,0|0,2,0]=4 932 B5R0.2 CCSCC#N MCULE-4093791055 [2,0,0,0,0,0|1,0,1]=4 933 B5R0.2 CCSCC=O MCULE-8069035019 [2,0,0,0,0,0|0,0,2]=4 934 B5R0.2 CCSCCBr MCULE-9449933342 [2,0,0,0,0,0|1,0,0]=3 935 B5R0.2 CCSCCCl MCULE-4057847237 [2,0,0,0,0,0|1,0,0]=3 936 B5R0.2 CCSCCN MCULE-3375644872 [2,0,0,0,0,0|1,0,0]=3 937 B5R0.2 CCSCCN MCULE-4466279976 [2,0,0,0,0,0|1,0,0]=3 938 B5R0.2 CCSCCO MCULE-3557086162 [2,0,0,0,0,0|0,0,0]=2 939 B5R0.2 CCSCCS MCULE-4583054157 [2,0,0,0,0,0|0,1,0]=3 940 B5R0.2 CCSSCC MCULE-7989926475 [2,0,0,0,0,0|0,0,0]=2 941 B5R0.2 CC[Se][Se]CC MCULE-2725282576 [2,0,0,0,0,0|0,2,0]=4 942 B5R0.2 CNCCCO MCULE-9530478547 [2,0,0,0,0,0|2,0,0]=4 943 B5R0.2 COCCCO MCULE-4041418048 [2,0,0,0,0,0|1,1,0]=4 944 B5R0.2 CONCCO MCULE-9787830121 [2,0,0,0,0,0|1,1,0]=4 945 B5R0.2 CSCCCBr MCULE-8399851816 [2,0,0,0,0,0|2,0,0]=4 946 B5R0.2 CSCCCCl MCULE-1829120476 [2,0,0,0,0,0|2,0,0]=4 947 B5R0.2 CSCCCN MCULE-1030938424 [2,0,0,0,0,0|2,0,0]=4 948 B5R0.2 CSCCCN MCULE-4664984921 [2,0,0,0,0,0|2,0,0]=4 949 B5R0.2 CSCCCO MCULE-9232413185 [2,0,0,0,0,0|1,0,0]=3 950 B5R0.2 CSCCCS MCULE-8405766359 [2,0,0,0,0,0|1,1,0]=4 951 B5R0.2 CSSCCN MCULE-7065189564 [2,0,0,0,0,0|1,0,0]=3 952 B5R0.2 CSSCCN MCULE-8654200268 [2,0,0,0,0,0|1,0,0]=3 953 B5R0.2 ClCCCCBr MCULE-7973194927 [2,0,0,0,0,0|2,0,0]=4 954 B5R0.2 ClCCCCCl MCULE-4863501782 [2,0,0,0,0,0|2,0,0]=4 955 B5R0.2 ClCCCCI MCULE-4303507089 [2,0,0,0,0,0|2,0,0]=4 956 B5R0.2 FCCCCBr MCULE-8408956872 [2,0,0,0,0,0|2,0,0]=4 957 B5R0.2 FCCCCF MCULE-1347438150 [2,0,0,0,0,0|2,0,0]=4 958 B5R0.2 ICCCCI MCULE-1390457250 [2,0,0,0,0,0|2,0,0]=4 959 B5R0.2 N#CCCCO MCULE-2108386837 [2,0,0,0,0,0|1,0,1]=4 960 B5R0.2 NCCCCBr MCULE-7095299053 [2,0,0,0,0,0|2,0,0]=4 961 B5R0.2 NCCCCBr MCULE-7716027825 [2,0,0,0,0,0|2,0,0]=4 962 B5R0.2 NCCCCCl MCULE-8484381726 [2,0,0,0,0,0|2,0,0]=4 963 B5R0.2 NCCCCCl MCULE-9917306082 [2,0,0,0,0,0|2,0,0]=4 964 B5R0.2 NCCCCF MCULE-4260727945 [2,0,0,0,0,0|2,0,0]=4 965 B5R0.2 NCCCCF MCULE-7716720921 [2,0,0,0,0,0|2,0,0]=4 966 B5R0.2 NCCCCN MCULE-3098044935 [2,0,0,0,0,0|2,0,0]=4 967 B5R0.2 NCCCCN MCULE-7898833229 [2,0,0,0,0,0|2,0,0]=4 968 B5R0.2 NCCCCN MCULE-8029479697 [2,0,0,0,0,0|2,0,0]=4 969 B5R0.2 NCCCCN MCULE-8509656776 [2,0,0,0,0,0|2,0,0]=4 970 B5R0.2 NCCCCO MCULE-7395674091 [2,0,0,0,0,0|1,0,0]=3 971 B5R0.2 NCCCCS MCULE-4353910418 [2,0,0,0,0,0|1,1,0]=4 972 B5R0.2 NCCCCS MCULE-9812416858 [2,0,0,0,0,0|1,1,0]=4 973 B5R0.2 NNCCCO MCULE-5557482626 [2,0,0,0,0,0|2,0,0]=4 974 B5R0.2 NNCCCO MCULE-7351853032 [2,0,0,0,0,0|2,0,0]=4 975 B5R0.2 NNCCCO MCULE-7919314403 [2,0,0,0,0,0|2,0,0]=4 976 B5R0.2 NOCCCO MCULE-1072312935 [2,0,0,0,0,0|2,0,0]=4 977 B5R0.2 NOCCCO MCULE-3715520109 [2,0,0,0,0,0|2,0,0]=4 978 B5R0.2 O=CCCCO MCULE-8728420992 [2,0,0,0,0,0|0,0,2]=4 979 B5R0.2 OC/C=C/CO MCULE-4752272005 [2,0,0,0,0,0|0,0,2]=4 980 B5R0.2 OC/C=C\CO MCULE-2695577582 [2,0,0,0,0,0|0,0,2]=4 981 B5R0.2 OCC#CCO MCULE-2650636766 [2,0,0,0,0,0|0,0,2]=4 982 B5R0.2 OCC=CCO MCULE-9559211408 [2,0,0,0,0,0|0,0,2]=4 983 B5R0.2 OCCCCBr MCULE-9231591925 [2,0,0,0,0,0|1,0,0]=3 984 B5R0.2 OCCCCCl MCULE-3507644812 [2,0,0,0,0,0|1,0,0]=3 985 B5R0.2 OCCCCF MCULE-9242285588 [2,0,0,0,0,0|1,0,0]=3 986 B5R0.2 OCCCCI MCULE-8723720522 [2,0,0,0,0,0|1,0,0]=3 987 B5R0.2 OCCCCO MCULE-2010022287 [2,0,0,0,0,0|0,0,0]=2 988 B5R0.2 OCCCCO MCULE-6551106098 [2,0,0,0,0,0|0,0,0]=2 989 B5R0.2 OCCCCS MCULE-8169490949 [2,0,0,0,0,0|0,1,0]=3 990 B5R0.2 OCCNCO MCULE-2141033453 [2,0,0,0,0,0|1,0,0]=3 991 B5R0.2 SCCCCS MCULE-6695609899 [2,0,0,0,0,0|0,2,0]=4 992 B7R0.3 CC(CN)CCCO MCULE-2908684674 [1,1,0,0,0,0|2,0,0]=4 993 B7R0.3 CC(CN)CCCO MCULE-5608783947 [1,1,0,0,0,0|2,0,0]=4 994 B7R0.3 CC(CN)CCCO MCULE-9269954426 [1,1,0,0,0,0|2,0,0]=4 995 B7R0.3 CC(CO)CCCO MCULE-8589885622 [1,1,0,0,0,0|1,0,0]=3 996 B7R0.3 CC(CO)NCCO MCULE-5180763491 [1,1,0,0,0,0|1,0,0]=3 997 B7R0.3 CCC(=O)NCCO MCULE-7351790148 [1,1,0,0,0,0|2,0,0]=4 998 B7R0.3 CCC(=O)OCCO MCULE-6019276519 [1,1,0,0,0,0|1,1,0]=4 999 B7R0.3 CCC(C)CCCO MCULE-2323419626 [1,1,0,0,0,0|2,0,0]=4 1000 B7R0.3 CCC(C)NCCO MCULE-1340916666 [1,1,0,0,0,0|2,0,0]=4 1001 B7R0.3 CCC(N)CCCO MCULE-3868205501 [1,1,0,0,0,0|2,0,0]=4 1002 B7R0.3 CCC(O)CCCO MCULE-1099760826 [1,1,0,0,0,0|2,0,0]=4 1003 B7R0.3 CCCCC(N)CO MCULE-1874423109 [1,1,0,0,0,0|2,0,0]=4 1004 B7R0.3 CCCCC(N)CO MCULE-2041767659 [1,1,0,0,0,0|2,0,0]=4 1005 B7R0.3 CCCCC(N)CO MCULE-4533575851 [1,1,0,0,0,0|2,0,0]=4 1006 B7R0.3 CCCCC(N)CO MCULE-7141990411 [1,1,0,0,0,0|2,0,0]=4 1007 B7R0.3 CCCCC(O)CO MCULE-6903923961 [1,1,0,0,0,0|2,0,0]=4 1008 B7R0.3 CCCC[C@@H](N)CO MCULE-1379297850 [1,1,0,0,0,0|2,0,0]=4 1009 B7R0.3 CCCC[C@@H](N)CO MCULE-5016786633 [1,1,0,0,0,0|2,0,0]=4 1010 B7R0.3 CCCC[C@@H](N)CO MCULE-6669873658 [1,1,0,0,0,0|2,0,0]=4 1011 B7R0.3 CCCC[C@@H](N)CO MCULE-6809294141 [1,1,0,0,0,0|2,0,0]=4 1012 B7R0.3 CCCC[C@H](N)CO MCULE-3277509271 [1,1,0,0,0,0|2,0,0]=4 1013 B7R0.3 CCCC[C@H](N)CO MCULE-5867397890 [1,1,0,0,0,0|2,0,0]=4 1014 B7R0.3 CCCNC(C)CO MCULE-6575712324 [1,1,0,0,0,0|2,0,0]=4 1015 B7R0.3 CCN(C)CCCO MCULE-9090885474 [1,1,0,0,0,0|2,0,0]=4 1016 B7R0.3 CCOCC(C)CO MCULE-6831759423 [1,1,0,0,0,0|1,1,0]=4 1017 B7R0.3 CCOCC(N)CO MCULE-8546500751 [1,1,0,0,0,0|1,1,0]=4 1018 B7R0.3 CCOCC(O)CO MCULE-2728952355 [1,1,0,0,0,0|1,1,0]=4 1019 B7R0.3 CC[C@H](C)CCCO MCULE-1760153718 [1,1,0,0,0,0|2,0,0]=4 1020 B7R0.3 CC[C@H](C)CCCO MCULE-3488695651 [1,1,0,0,0,0|2,0,0]=4 1021 B7R0.3 C[C@@H](CN)CCCO MCULE-2859776250 [1,1,0,0,0,0|2,0,0]=4 1022 B7R0.3 C[C@@H](CN)CCCO MCULE-3245433953 [1,1,0,0,0,0|2,0,0]=4 1023 B7R0.3 C[C@@H](CN)CCCO MCULE-7698870351 [1,1,0,0,0,0|2,0,0]=4 1024 B7R0.3 C[C@@H](CN)CCCO MCULE-9900676606 [1,1,0,0,0,0|2,0,0]=4 1025 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [1,1,0,0,0,0|1,0,1]=4 1026 B7R0.3 OCCCC(O)CO MCULE-3529953491 [1,1,0,0,0,0|1,0,0]=3 1027 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [1,1,0,0,0,0|1,0,1]=4 1028 B7R0.4 CC(Br)CCCCO MCULE-2106751856 [1,1,0,0,0,0|2,0,0]=4 1029 B7R0.4 CC(C)CCCCO MCULE-9053698607 [1,1,0,0,0,0|2,0,0]=4 1030 B7R0.4 CC(C)CNCCO MCULE-3948234461 [1,1,0,0,0,0|2,0,0]=4 1031 B7R0.4 CC(C)CNCCO MCULE-6673201049 [1,1,0,0,0,0|2,0,0]=4 1032 B7R0.4 CC(C)COCCO MCULE-2997702641 [1,1,0,0,0,0|1,1,0]=4 1033 B7R0.4 CC(C)CSCCCl MCULE-1798266957 [1,1,0,0,0,0|2,0,0]=4 1034 B7R0.4 CC(C)CSCCN MCULE-6100886830 [1,1,0,0,0,0|2,0,0]=4 1035 B7R0.4 CC(C)CSCCN MCULE-8368453687 [1,1,0,0,0,0|2,0,0]=4 1036 B7R0.4 CC(C)CSCCO MCULE-5481216581 [1,1,0,0,0,0|1,0,0]=3 1037 B7R0.4 CC(C)NCCCO MCULE-4556994899 [1,1,0,0,0,0|2,0,0]=4 1038 B7R0.4 CC(C)NCCCO MCULE-9550690390 [1,1,0,0,0,0|2,0,0]=4 1039 B7R0.4 CC(C)OCCCO MCULE-9280654202 [1,1,0,0,0,0|1,1,0]=4 1040 B7R0.4 CC(C)SCCCN MCULE-6322440113 [1,1,0,0,0,0|2,0,0]=4 1041 B7R0.4 CC(C)SCCCO MCULE-4296249117 [1,1,0,0,0,0|1,0,0]=3 1042 B7R0.4 CC(N)CCCCO MCULE-7039935081 [1,1,0,0,0,0|2,0,0]=4 1043 B7R0.4 CC(N)CCCCO MCULE-8167834378 [1,1,0,0,0,0|2,0,0]=4 1044 B7R0.4 CC(O)CCCCO MCULE-3790969400 [1,1,0,0,0,0|1,0,0]=3 1045 B7R0.4 CC(O)CNCCN MCULE-3904214677 [1,1,0,0,0,0|2,0,0]=4 1046 B7R0.4 CC(O)CNCCO MCULE-4873845500 [1,1,0,0,0,0|1,0,0]=3 1047 B7R0.4 CC(O)CSCCO MCULE-8885458360 [1,1,0,0,0,0|0,0,0]=2 1048 B7R0.4 CCC#CCC(C)O MCULE-4633396611 [1,1,0,0,0,0|2,0,0]=4 1049 B7R0.4 CCCCCC(C)O MCULE-2463855771 [1,1,0,0,0,0|2,0,0]=4 1050 B7R0.4 CCCCC[C@@H](C)O MCULE-1984852239 [1,1,0,0,0,0|2,0,0]=4 1051 B7R0.4 CCCCC[C@@H](C)O MCULE-2769933740 [1,1,0,0,0,0|2,0,0]=4 1052 B7R0.4 CCCCC[C@H](C)O MCULE-2305379902 [1,1,0,0,0,0|2,0,0]=4 1053 B7R0.4 CCCCC[C@H](C)O MCULE-5898721044 [1,1,0,0,0,0|2,0,0]=4 1054 B7R0.4 CCCNCC(C)O MCULE-8110237473 [1,1,0,0,0,0|2,0,0]=4 1055 B7R0.4 CCCOCC(C)O MCULE-9214840563 [1,1,0,0,0,0|1,1,0]=4 1056 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,1,0,0,0,0|1,0,1]=4 1057 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,1,0,0,0,0|1,0,1]=4 1058 B7R0.4 CCSCCC(C)N MCULE-6854502332 [1,1,0,0,0,0|2,0,0]=4 1059 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [1,1,0,0,0,0|0,0,2]=4 1060 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,1,0,0,0,0|1,0,1]=4 1061 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,1,0,0,0,0|1,0,1]=4 1062 B7R0.4 NCCSCC(F)F MCULE-2643130155 [1,1,0,0,0,0|2,0,0]=4 1063 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,1,0,0,0,0|1,0,1]=4 1064 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,1,0,0,0,0|1,0,1]=4 1065 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,1,0,0,0,0|0,1,1]=4 1066 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [1,1,0,0,0,0|1,0,1]=4 1067 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,1,0,0,0,0|0,0,1]=3 1068 B7R0.4 OCCNCC(F)F MCULE-3691382123 [1,1,0,0,0,0|2,0,0]=4 1069 B7R0.4 OCCOCC(F)F MCULE-3170201998 [1,1,0,0,0,0|1,1,0]=4 1070 B7R0.7 C=C(CCC)CCO MCULE-1774943854 [1,1,0,0,0,0|2,0,0]=4 1071 B7R0.7 CC(CCN)CCO MCULE-7864092529 [1,1,0,0,0,0|2,0,0]=4 1072 B7R0.7 CC(CCO)CCO MCULE-5426211201 [1,1,0,0,0,0|1,0,0]=3 1073 B7R0.7 CCCC(C)CCO MCULE-6887128167 [1,1,0,0,0,0|2,0,0]=4 1074 B7R0.7 CCCC(N)CCO MCULE-3641094890 [1,1,0,0,0,0|2,0,0]=4 1075 B7R0.7 CCCC(N)CCO MCULE-5323991138 [1,1,0,0,0,0|2,0,0]=4 1076 B7R0.7 CCCC(N)CCO MCULE-6597027417 [1,1,0,0,0,0|2,0,0]=4 1077 B7R0.7 CCCC(N)CCO MCULE-8093709628 [1,1,0,0,0,0|2,0,0]=4 1078 B7R0.7 CCCC(O)CCO MCULE-6957178966 [1,1,0,0,0,0|2,0,0]=4 1079 B7R0.7 CCCC(S)CCO MCULE-7972451905 [1,1,0,0,0,0|2,0,0]=4 1080 B7R0.7 CCC[C@@H](N)CCO MCULE-1862127512 [1,1,0,0,0,0|2,0,0]=4 1081 B7R0.7 CCC[C@@H](N)CCO MCULE-3031366486 [1,1,0,0,0,0|2,0,0]=4 1082 B7R0.7 CCC[C@@H](N)CCO MCULE-4433535200 [1,1,0,0,0,0|2,0,0]=4 1083 B7R0.7 CCC[C@@H](N)CCO MCULE-8325506694 [1,1,0,0,0,0|2,0,0]=4 1084 B7R0.7 CCC[C@H](N)CCO MCULE-3164100995 [1,1,0,0,0,0|2,0,0]=4 1085 B7R0.7 CCC[C@H](N)CCO MCULE-3262978007 [1,1,0,0,0,0|2,0,0]=4 1086 B7R0.7 CCC[C@H](N)CCO MCULE-3382311889 [1,1,0,0,0,0|2,0,0]=4 1087 B7R0.7 CCC[C@H](N)CCO MCULE-4865013919 [1,1,0,0,0,0|2,0,0]=4 1088 B7R0.7 CCNC(=O)CCO MCULE-3624072697 [1,1,0,0,0,0|2,0,0]=4 1089 B7R0.7 CCNC(C)CCO MCULE-5904294074 [1,1,0,0,0,0|2,0,0]=4 1090 B7R0.7 CCOC(=N)CCO MCULE-8135932013 [1,1,0,0,0,0|1,1,0]=4 1091 B7R0.7 CCOC(=N)CCO MCULE-9125708150 [1,1,0,0,0,0|1,1,0]=4 1092 B7R0.7 CCOC(=O)CCO MCULE-3972081033 [1,1,0,0,0,0|1,1,0]=4 1093 B7R0.7 CN(CCN)CCO MCULE-2960427748 [1,1,0,0,0,0|2,0,0]=4 1094 B7R0.7 CN(CCO)CCO MCULE-3967840948 [1,1,0,0,0,0|1,0,0]=3 1095 B7R0.7 CN(CCO)CCO MCULE-6878116085 [1,1,0,0,0,0|1,0,0]=3 1096 B7R0.7 O=C(CCO)CCO MCULE-8765223516 [1,1,0,0,0,0|1,0,0]=3 1097 B7R0.7 O=S(CCO)CCO MCULE-3068452870 [1,1,0,0,0,0|0,0,1]=3 1098 B7R0.7 OCCC(O)CCO MCULE-1162803524 [1,1,0,0,0,0|1,0,0]=3 1099 B9R0.18 CN(CCCO)CCCO MCULE-7584673151 [0,2,0,0,0,0|2,0,0]=4 1100 B9R0.18 O=C(CCCO)NCCO MCULE-3037964082 [0,2,0,0,0,0|2,0,0]=4 1101 B9R0.18 O=C(NCCO)NCCO MCULE-5800820607 [0,2,0,0,0,0|2,0,0]=4 1102 B9R0.2 CCCCSCCC(=O)O MCULE-7414288717 [0,2,0,0,0,0|2,0,0]=4 1103 B9R0.2 CCCSCCCC(=O)O MCULE-9850452520 [0,2,0,0,0,0|2,0,0]=4 1104 B9R0.2 NCCSSCCC(=O)O MCULE-2378332819 [0,2,0,0,0,0|1,0,0]=3 1105 B9R0.2 NCCSSCCC(=O)O MCULE-4249865017 [0,2,0,0,0,0|1,0,0]=3 1106 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [0,2,0,0,0,0|2,0,0]=4 1107 B9R0.2 O=C(O)CCCNCCO MCULE-8202070706 [0,2,0,0,0,0|2,0,0]=4 1108 B9R0.45 CCCCCCSCCO MCULE-3331753796 [0,2,0,0,0,0|2,0,0]=4 1109 B9R0.45 CCCCSCCOCC MCULE-4700764338 [0,2,0,0,0,0|2,0,0]=4 1110 B9R0.45 CCCCSSCCCC MCULE-5887157893 [0,2,0,0,0,0|2,0,0]=4 1111 B9R0.45 CNCCSSCCNC MCULE-2429624269 [0,2,0,0,0,0|2,0,0]=4 1112 B9R0.45 CNCCSSCCNC MCULE-5017829129 [0,2,0,0,0,0|2,0,0]=4 1113 B9R0.45 CNCCSSCCNC MCULE-6816320273 [0,2,0,0,0,0|2,0,0]=4 1114 B9R0.45 COCCCCCCOC MCULE-8796987038 [0,2,0,0,0,0|2,0,0]=4 1115 B9R0.45 COCCCNCCOC MCULE-6284699375 [0,2,0,0,0,0|2,0,0]=4 1116 B9R0.45 COCCCOCCCO MCULE-6516268580 [0,2,0,0,0,0|1,1,0]=4 1117 B9R0.45 COCCNCCCCO MCULE-8413188192 [0,2,0,0,0,0|2,0,0]=4 1118 B9R0.45 N#CCCSSCCC#N MCULE-7136632942 [0,2,0,0,0,0|2,0,0]=4 1119 B9R0.45 N#N=NCCSSCCN MCULE-3347434775 [0,2,0,0,0,0|2,0,0]=4 1120 B9R0.45 N#N=NCCSSCCO MCULE-6409044088 [0,2,0,0,0,0|1,0,0]=3 1121 B9R0.45 NCCCSSCCCN MCULE-8001928940 [0,2,0,0,0,0|2,0,0]=4 1122 B9R0.45 NCCCSSCCCN MCULE-8970942490 [0,2,0,0,0,0|2,0,0]=4 1123 B9R0.45 OCCC#CC#CCCO MCULE-7998918045 [0,2,0,0,0,0|2,0,0]=4 1124 B9R0.45 OCCCCCCCCO MCULE-7897417838 [0,2,0,0,0,0|2,0,0]=4 1125 B9R0.45 OCCCSSCCCO MCULE-9381854953 [0,2,0,0,0,0|0,0,0]=2 1126 B9R0.45 OCCNCCNCCO MCULE-1416647308 [0,2,0,0,0,0|2,0,0]=4 1127 B9R0.45 OCCNCCOCCO MCULE-6121228725 [0,2,0,0,0,0|1,1,0]=4 1128 B9R0.45 OCCOCCOCCO MCULE-2608815184 [0,2,0,0,0,0|0,2,0]=4 1129 B9R0.45 OCCOCCOCCO MCULE-7605038595 [0,2,0,0,0,0|0,2,0]=4 1130 B9R0.45 OCCSCCSCCO MCULE-4836365698 [0,2,0,0,0,0|0,0,0]=2 1131 B9R0.45 SCCSCCSCCS MCULE-3731117649 [0,2,0,0,0,0|0,2,0]=4 1132 B9R0.46 CCCCSCC(O)CO MCULE-8665487683 [0,2,0,0,0,0|2,0,0]=4 1133 B9R0.46 COC(=O)CSSCCO MCULE-3590920745 [0,2,0,0,0,0|0,0,1]=3 1134 B9R0.46 OCCCCCC(O)CO MCULE-1241763539 [0,2,0,0,0,0|2,0,0]=4 1135 B9R0.24 CC(CN)SSC(C)CN MCULE-8738567618 [0,2,0,0,0,0|2,0,0]=4 1136 B9R0.24 CC(C[NH3+])SSC(C)C[NH3+] MCULE-9106167822 [0,2,0,0,0,0|2,0,0]=4 1137 B9R0.24 CCC(C)SSC(C)CC MCULE-6317169760 [0,2,0,0,0,0|2,0,0]=4 1138 B9R0.47 NC(CSCCO)C(=O)O MCULE-9765321939 [0,2,0,0,0,0|1,0,1]=4 1139 B9R0.47 N[C@@H](CSCCO)C(=O)O MCULE-4219102659 [0,2,0,0,0,0|1,0,1]=4 1140 B9R0.47 N[C@H](CSCCO)C(=O)O MCULE-6379323435 [0,2,0,0,0,0|1,0,1]=4 1141 B9R0.55 CC(C)CSSCC(C)C MCULE-4516632846 [0,2,0,0,0,0|2,0,0]=4 1142 B9R0.55 O=C(O)CSSCC(=O)O MCULE-1938189832 [0,2,0,0,0,0|0,0,2]=4 1143 B9R0.55 O=C(O)CSSCC(=O)O MCULE-2878758153 [0,2,0,0,0,0|0,0,2]=4 1144 B7R1.1 BrCC1CCCO1 MCULE-6801721633 [1,0,0,1,0,0|2,0,0]=4 1145 B7R1.1 BrCC1OCCO1 MCULE-4843503125 [1,0,0,1,0,0|1,1,0]=4 1146 B7R1.1 BrC[C@H]1CCCO1 MCULE-3468061610 [1,0,0,1,0,0|2,0,0]=4 1147 B7R1.1 BrC[C@H]1CCCO1 MCULE-9305844681 [1,0,0,1,0,0|2,0,0]=4 1148 B7R1.1 C1(CCCN1)CO MCULE-7277085817 [1,0,0,1,0,0|2,0,0]=4 1149 B7R1.1 C1(CCNC1)CO MCULE-7897000858 [1,0,0,1,0,0|2,0,0]=4 1150 B7R1.1 C1(CCNC1)CO MCULE-9939548436 [1,0,0,1,0,0|2,0,0]=4 1151 B7R1.1 C1(CCOC1)CO MCULE-2350780678 [1,0,0,1,0,0|1,1,0]=4 1152 B7R1.1 CCC1=NCCO1 MCULE-3838550511 [1,0,0,1,0,0|2,0,0]=4 1153 B7R1.1 CCC1OCCO1 MCULE-3434568584 [1,0,0,1,0,0|1,1,0]=4 1154 B7R1.1 ClCC1CCCO1 MCULE-9816764842 [1,0,0,1,0,0|2,0,0]=4 1155 B7R1.1 ClCC1OCCO1 MCULE-2722734837 [1,0,0,1,0,0|1,1,0]=4 1156 B7R1.1 ICC1CCCO1 MCULE-3981288245 [1,0,0,1,0,0|2,0,0]=4 1157 B7R1.1 NCC1CCCO1 MCULE-2797516262 [1,0,0,1,0,0|2,0,0]=4 1158 B7R1.1 NCC1CCCO1 MCULE-5970677903 [1,0,0,1,0,0|2,0,0]=4 1159 B7R1.1 NCC1CCCO1 MCULE-6166235034 [1,0,0,1,0,0|2,0,0]=4 1160 B7R1.1 NCC1CCCS1 MCULE-5278325816 [1,0,0,1,0,0|2,0,0]=4 1161 B7R1.1 NCC1CCSC1 MCULE-6868901477 [1,0,0,1,0,0|2,0,0]=4 1162 B7R1.1 NCC1OCCO1 MCULE-4813269641 [1,0,0,1,0,0|1,1,0]=4 1163 B7R1.1 NCC1SCCS1 MCULE-1964630168 [1,0,0,1,0,0|1,1,0]=4 1164 B7R1.1 NCC1SCCS1 MCULE-6937478627 [1,0,0,1,0,0|1,1,0]=4 1165 B7R1.1 NC[C@@H]1CCCO1 MCULE-1103643839 [1,0,0,1,0,0|2,0,0]=4 1166 B7R1.1 NC[C@@H]1CCCO1 MCULE-1402571993 [1,0,0,1,0,0|2,0,0]=4 1167 B7R1.1 NC[C@@H]1CCCO1 MCULE-1448381041 [1,0,0,1,0,0|2,0,0]=4 1168 B7R1.1 NC[C@@H]1CCCO1 MCULE-6664501749 [1,0,0,1,0,0|2,0,0]=4 1169 B7R1.1 NC[C@H]1CCCO1 MCULE-1196018690 [1,0,0,1,0,0|2,0,0]=4 1170 B7R1.1 NC[C@H]1CCCO1 MCULE-2037746017 [1,0,0,1,0,0|2,0,0]=4 1171 B7R1.1 NC[C@H]1CCCO1 MCULE-3470426685 [1,0,0,1,0,0|2,0,0]=4 1172 B7R1.1 NC[C@H]1CCCO1 MCULE-9918683284 [1,0,0,1,0,0|2,0,0]=4 1173 B7R1.1 OCC1=NCCO1 MCULE-9432593363 [1,0,0,1,0,0|1,0,1]=4 1174 B7R1.1 OCC1C=CCC1 MCULE-1237002603 [1,0,0,1,0,0|2,0,0]=4 1175 B7R1.1 OCC1CCCC1 MCULE-2985338933 [1,0,0,1,0,0|2,0,0]=4 1176 B7R1.1 OCC1CCCN1 MCULE-1016922679 [1,0,0,1,0,0|2,0,0]=4 1177 B7R1.1 OCC1CCCN1 MCULE-8224535891 [1,0,0,1,0,0|2,0,0]=4 1178 B7R1.1 OCC1CCCO1 MCULE-5877114547 [1,0,0,1,0,0|1,0,0]=3 1179 B7R1.1 OCC1CCCO1 MCULE-5884880244 [1,0,0,1,0,0|1,0,0]=3 1180 B7R1.1 OCC1CCCS1 MCULE-6106081414 [1,0,0,1,0,0|1,0,0]=3 1181 B7R1.1 OCC1CCNC1 MCULE-7883947611 [1,0,0,1,0,0|2,0,0]=4 1182 B7R1.1 OCC1CCNC1 MCULE-9689521155 [1,0,0,1,0,0|2,0,0]=4 1183 B7R1.1 OCC1CCOC1 MCULE-8926405046 [1,0,0,1,0,0|1,1,0]=4 1184 B7R1.1 OCC1CCON1 MCULE-1199975481 [1,0,0,1,0,0|1,1,0]=4 1185 B7R1.1 OCC1CCON1 MCULE-4772487016 [1,0,0,1,0,0|1,1,0]=4 1186 B7R1.1 OCC1CCSC1 MCULE-2226132734 [1,0,0,1,0,0|1,0,0]=3 1187 B7R1.1 OCC1COCO1 MCULE-3470022742 [1,0,0,1,0,0|1,1,0]=4 1188 B7R1.1 OCC1OCCO1 MCULE-8334027179 [1,0,0,1,0,0|0,1,0]=3 1189 B7R1.1 OC[C@@H]1CCCN1 MCULE-1791547752 [1,0,0,1,0,0|2,0,0]=4 1190 B7R1.1 OC[C@@H]1CCCN1 MCULE-6448856585 [1,0,0,1,0,0|2,0,0]=4 1191 B7R1.1 OC[C@@H]1CCCN1 MCULE-7214801659 [1,0,0,1,0,0|2,0,0]=4 1192 B7R1.1 OC[C@@H]1CCCN1 MCULE-7248451975 [1,0,0,1,0,0|2,0,0]=4 1193 B7R1.1 OC[C@@H]1CCCO1 MCULE-1788377708 [1,0,0,1,0,0|1,0,0]=3 1194 B7R1.1 OC[C@@H]1CCCO1 MCULE-3533553137 [1,0,0,1,0,0|1,0,0]=3 1195 B7R1.1 OC[C@@H]1CCNC1 MCULE-3126404140 [1,0,0,1,0,0|2,0,0]=4 1196 B7R1.1 OC[C@@H]1CCNC1 MCULE-4876549629 [1,0,0,1,0,0|2,0,0]=4 1197 B7R1.1 OC[C@@H]1CCNC1 MCULE-7050415145 [1,0,0,1,0,0|2,0,0]=4 1198 B7R1.1 OC[C@@H]1CCNC1 MCULE-8785146407 [1,0,0,1,0,0|2,0,0]=4 1199 B7R1.1 OC[C@@H]1CCOC1 MCULE-2004616524 [1,0,0,1,0,0|1,1,0]=4 1200 B7R1.1 OC[C@@H]1CCOC1 MCULE-3801423698 [1,0,0,1,0,0|1,1,0]=4 1201 B7R1.1 OC[C@H]1CCCN1 MCULE-1266532697 [1,0,0,1,0,0|2,0,0]=4 1202 B7R1.1 OC[C@H]1CCCN1 MCULE-1724166794 [1,0,0,1,0,0|2,0,0]=4 1203 B7R1.1 OC[C@H]1CCCN1 MCULE-7513431964 [1,0,0,1,0,0|2,0,0]=4 1204 B7R1.1 OC[C@H]1CCCN1 MCULE-8398083695 [1,0,0,1,0,0|2,0,0]=4 1205 B7R1.1 OC[C@H]1CCCO1 MCULE-3501680239 [1,0,0,1,0,0|1,0,0]=3 1206 B7R1.1 OC[C@H]1CCCO1 MCULE-4925106568 [1,0,0,1,0,0|1,0,0]=3 1207 B7R1.1 OC[C@H]1CCNC1 MCULE-3909770597 [1,0,0,1,0,0|2,0,0]=4 1208 B7R1.1 OC[C@H]1CCNC1 MCULE-5006682123 [1,0,0,1,0,0|2,0,0]=4 1209 B7R1.1 OC[C@H]1CCNC1 MCULE-8265382423 [1,0,0,1,0,0|2,0,0]=4 1210 B7R1.1 OC[C@H]1CCNC1 MCULE-8371969680 [1,0,0,1,0,0|2,0,0]=4 1211 B7R1.1 OC[C@H]1CCOC1 MCULE-4226412289 [1,0,0,1,0,0|1,1,0]=4 1212 B7R1.1 OC[C@H]1CCOC1 MCULE-9076004118 [1,0,0,1,0,0|1,1,0]=4 1213 B7R1.1 SCC1CCCO1 MCULE-5962232488 [1,0,0,1,0,0|1,1,0]=4 1214 B7R1.3 BrC1CCCCO1 MCULE-3659439382 [1,0,0,1,0,0|2,0,0]=4 1215 B7R1.3 BrC1CCSCC1 MCULE-1239956252 [1,0,0,1,0,0|2,0,0]=4 1216 B7R1.3 C1(CCCNC1)O MCULE-5944071030 [1,0,0,1,0,0|2,0,0]=4 1217 B7R1.3 C1(CCCNC1)O MCULE-9769032939 [1,0,0,1,0,0|2,0,0]=4 1218 B7R1.3 C1(CNCCO1)C MCULE-2805380245 [1,0,0,1,0,0|2,0,0]=4 1219 B7R1.3 C1(CNCCO1)C MCULE-3532041523 [1,0,0,1,0,0|2,0,0]=4 1220 B7R1.3 CC1CCCCO1 MCULE-4439683294 [1,0,0,1,0,0|2,0,0]=4 1221 B7R1.3 CC1CNCCO1 MCULE-3071497485 [1,0,0,1,0,0|2,0,0]=4 1222 B7R1.3 CC1CNCCO1 MCULE-7956728736 [1,0,0,1,0,0|2,0,0]=4 1223 B7R1.3 CC1CSCCN1 MCULE-2923436126 [1,0,0,1,0,0|2,0,0]=4 1224 B7R1.3 CC1NCCCO1 MCULE-2236660860 [1,0,0,1,0,0|2,0,0]=4 1225 B7R1.3 CC1SCCCS1 MCULE-8431698431 [1,0,0,1,0,0|1,1,0]=4 1226 B7R1.3 C[C@@H]1CNCCO1 MCULE-1787977539 [1,0,0,1,0,0|2,0,0]=4 1227 B7R1.3 C[C@@H]1CNCCO1 MCULE-2608004746 [1,0,0,1,0,0|2,0,0]=4 1228 B7R1.3 C[C@@H]1CNCCO1 MCULE-5447097956 [1,0,0,1,0,0|2,0,0]=4 1229 B7R1.3 C[C@@H]1CNCCO1 MCULE-9396954187 [1,0,0,1,0,0|2,0,0]=4 1230 B7R1.3 C[C@@H]1CSCCN1 MCULE-2613889704 [1,0,0,1,0,0|2,0,0]=4 1231 B7R1.3 C[C@H]1CNCCO1 MCULE-3158147539 [1,0,0,1,0,0|2,0,0]=4 1232 B7R1.3 C[C@H]1CNCCO1 MCULE-5193705878 [1,0,0,1,0,0|2,0,0]=4 1233 B7R1.3 C[C@H]1CNCCO1 MCULE-8337677707 [1,0,0,1,0,0|2,0,0]=4 1234 B7R1.3 C[C@H]1CNCCO1 MCULE-9425432414 [1,0,0,1,0,0|2,0,0]=4 1235 B7R1.3 C[C@H]1CSCCN1 MCULE-4076273874 [1,0,0,1,0,0|2,0,0]=4 1236 B7R1.3 ClC1CCCCO1 MCULE-3251653488 [1,0,0,1,0,0|2,0,0]=4 1237 B7R1.3 FC1CCCCO1 MCULE-8724227177 [1,0,0,1,0,0|2,0,0]=4 1238 B7R1.3 IC1CCSCC1 MCULE-6684613275 [1,0,0,1,0,0|2,0,0]=4 1239 B7R1.3 NC1CCCSC1 MCULE-5361360271 [1,0,0,1,0,0|2,0,0]=4 1240 B7R1.3 NC1CCCSC1 MCULE-5652416535 [1,0,0,1,0,0|2,0,0]=4 1241 B7R1.3 NC1CCSCC1 MCULE-1077822824 [1,0,0,1,0,0|2,0,0]=4 1242 B7R1.3 NC1CCSCC1 MCULE-7148332202 [1,0,0,1,0,0|2,0,0]=4 1243 B7R1.3 OC1CC=CCC1 MCULE-9472259407 [1,0,0,1,0,0|2,0,0]=4 1244 B7R1.3 OC1CCCCC1 MCULE-8217921343 [1,0,0,1,0,0|2,0,0]=4 1245 B7R1.3 OC1CCCCN1 MCULE-7168605870 [1,0,0,1,0,0|2,0,0]=4 1246 B7R1.3 OC1CCCCN1 MCULE-9833825308 [1,0,0,1,0,0|2,0,0]=4 1247 B7R1.3 OC1CCCCO1 MCULE-1415784498 [1,0,0,1,0,0|1,0,0]=3 1248 B7R1.3 OC1CCCNC1 MCULE-4557845355 [1,0,0,1,0,0|2,0,0]=4 1249 B7R1.3 OC1CCCNC1 MCULE-6040312691 [1,0,0,1,0,0|2,0,0]=4 1250 B7R1.3 OC1CCCOC1 MCULE-3820663957 [1,0,0,1,0,0|1,1,0]=4 1251 B7R1.3 OC1CCCOC1 MCULE-4349250540 [1,0,0,1,0,0|1,1,0]=4 1252 B7R1.3 OC1CCCSC1 MCULE-1448781710 [1,0,0,1,0,0|1,0,0]=3 1253 B7R1.3 OC1CCNCC1 MCULE-3572807775 [1,0,0,1,0,0|2,0,0]=4 1254 B7R1.3 OC1CCNCC1 MCULE-4216905638 [1,0,0,1,0,0|2,0,0]=4 1255 B7R1.3 OC1CCNCC1 MCULE-8298401309 [1,0,0,1,0,0|2,0,0]=4 1256 B7R1.3 OC1CCOCC1 MCULE-3789534226 [1,0,0,1,0,0|1,1,0]=4 1257 B7R1.3 OC1CCSCC1 MCULE-6056663037 [1,0,0,1,0,0|1,0,0]=3 1258 B7R1.3 OC1CNCCO1 MCULE-7048275202 [1,0,0,1,0,0|1,0,0]=3 1259 B7R1.3 OC1CNCCO1 MCULE-9716087824 [1,0,0,1,0,0|1,0,0]=3 1260 B7R1.3 O[C@@H]1CCCNC1 MCULE-3395625072 [1,0,0,1,0,0|2,0,0]=4 1261 B7R1.3 O[C@@H]1CCCNC1 MCULE-5041834047 [1,0,0,1,0,0|2,0,0]=4 1262 B7R1.3 O[C@@H]1CCCNC1 MCULE-5939951996 [1,0,0,1,0,0|2,0,0]=4 1263 B7R1.3 O[C@@H]1CCCNC1 MCULE-8822637089 [1,0,0,1,0,0|2,0,0]=4 1264 B7R1.3 O[C@@H]1CCCOC1 MCULE-1439860824 [1,0,0,1,0,0|1,1,0]=4 1265 B7R1.3 O[C@@H]1CCCOC1 MCULE-5515107963 [1,0,0,1,0,0|1,1,0]=4 1266 B7R1.3 O[C@H]1CCCNC1 MCULE-3813591488 [1,0,0,1,0,0|2,0,0]=4 1267 B7R1.3 O[C@H]1CCCNC1 MCULE-5223055424 [1,0,0,1,0,0|2,0,0]=4 1268 B7R1.3 O[C@H]1CCCNC1 MCULE-7646198322 [1,0,0,1,0,0|2,0,0]=4 1269 B7R1.3 O[C@H]1CCCNC1 MCULE-7875547684 [1,0,0,1,0,0|2,0,0]=4 1270 B7R1.3 O[C@H]1CCCOC1 MCULE-2228949296 [1,0,0,1,0,0|1,1,0]=4 1271 B7R1.3 O[C@H]1CCCOC1 MCULE-6500179909 [1,0,0,1,0,0|1,1,0]=4 1272 B7R1.3 SC1CCSCC1 MCULE-8741596394 [1,0,0,1,0,0|1,1,0]=4 1273 B7R1.4 CC1CCCC1O MCULE-1288711765 [1,0,0,1,0,0|2,0,0]=4 1274 B7R1.4 CC1CNCC1O MCULE-3308447861 [1,0,0,1,0,0|2,0,0]=4 1275 B7R1.4 CC1CNCC1O MCULE-8526879323 [1,0,0,1,0,0|2,0,0]=4 1276 B7R1.4 CC1COCC1O MCULE-5925280081 [1,0,0,1,0,0|1,1,0]=4 1277 B7R1.4 CC1CSCC1N MCULE-5628200403 [1,0,0,1,0,0|2,0,0]=4 1278 B7R1.4 CC1NCCC1O MCULE-7936666458 [1,0,0,1,0,0|2,0,0]=4 1279 B7R1.4 CC1NCCC1O MCULE-8369948926 [1,0,0,1,0,0|2,0,0]=4 1280 B7R1.4 CC1OCCC1O MCULE-6904695721 [1,0,0,1,0,0|1,1,0]=4 1281 B7R1.4 CC1SCCC1N MCULE-5160182865 [1,0,0,1,0,0|2,0,0]=4 1282 B7R1.4 CC1SCCC1N MCULE-8827106279 [1,0,0,1,0,0|2,0,0]=4 1283 B7R1.4 CC1SCCC1O MCULE-4342593310 [1,0,0,1,0,0|1,0,0]=3 1284 B7R1.4 C[C@@H]1CCC[C@@H]1O MCULE-2617120620 [1,0,0,1,0,0|2,0,0]=4 1285 B7R1.4 C[C@@H]1CCC[C@H]1O MCULE-3398682980 [1,0,0,1,0,0|2,0,0]=4 1286 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-2015388080 [1,0,0,1,0,0|2,0,0]=4 1287 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-3625149028 [1,0,0,1,0,0|2,0,0]=4 1288 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-5773404554 [1,0,0,1,0,0|2,0,0]=4 1289 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-6014391902 [1,0,0,1,0,0|2,0,0]=4 1290 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-6476104556 [1,0,0,1,0,0|2,0,0]=4 1291 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-6537028059 [1,0,0,1,0,0|2,0,0]=4 1292 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-4207581523 [1,0,0,1,0,0|2,0,0]=4 1293 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-6158474994 [1,0,0,1,0,0|2,0,0]=4 1294 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-7380960276 [1,0,0,1,0,0|2,0,0]=4 1295 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-7589629864 [1,0,0,1,0,0|2,0,0]=4 1296 B7R1.4 C[C@@H]1COC[C@@H]1O MCULE-3198029643 [1,0,0,1,0,0|1,1,0]=4 1297 B7R1.4 C[C@@H]1COC[C@H]1O MCULE-1967963278 [1,0,0,1,0,0|1,1,0]=4 1298 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-1705265213 [1,0,0,1,0,0|2,0,0]=4 1299 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-3395898129 [1,0,0,1,0,0|2,0,0]=4 1300 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-5909894286 [1,0,0,1,0,0|2,0,0]=4 1301 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-9998480727 [1,0,0,1,0,0|2,0,0]=4 1302 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-1101330824 [1,0,0,1,0,0|2,0,0]=4 1303 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-3326131093 [1,0,0,1,0,0|2,0,0]=4 1304 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-3941456644 [1,0,0,1,0,0|2,0,0]=4 1305 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-8944150043 [1,0,0,1,0,0|2,0,0]=4 1306 B7R1.4 C[C@H]1CCC[C@@H]1O MCULE-5212653059 [1,0,0,1,0,0|2,0,0]=4 1307 B7R1.4 C[C@H]1CCC[C@@H]1O MCULE-7997646273 [1,0,0,1,0,0|2,0,0]=4 1308 B7R1.4 C[C@H]1CCC[C@H]1O MCULE-3291842365 [1,0,0,1,0,0|2,0,0]=4 1309 B7R1.4 C[C@H]1CCC[C@H]1O MCULE-7570125274 [1,0,0,1,0,0|2,0,0]=4 1310 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-2282810666 [1,0,0,1,0,0|2,0,0]=4 1311 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-2772361871 [1,0,0,1,0,0|2,0,0]=4 1312 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-3274154422 [1,0,0,1,0,0|2,0,0]=4 1313 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-3608199633 [1,0,0,1,0,0|2,0,0]=4 1314 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-1988679936 [1,0,0,1,0,0|2,0,0]=4 1315 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-3451477960 [1,0,0,1,0,0|2,0,0]=4 1316 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-4396463600 [1,0,0,1,0,0|2,0,0]=4 1317 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-7975653844 [1,0,0,1,0,0|2,0,0]=4 1318 B7R1.4 C[C@H]1COC[C@@H]1O MCULE-3765921602 [1,0,0,1,0,0|1,1,0]=4 1319 B7R1.4 C[C@H]1COC[C@@H]1O MCULE-5201903195 [1,0,0,1,0,0|1,1,0]=4 1320 B7R1.4 C[C@H]1COC[C@H]1O MCULE-2974083166 [1,0,0,1,0,0|1,1,0]=4 1321 B7R1.4 C[C@H]1COC[C@H]1O MCULE-6725207001 [1,0,0,1,0,0|1,1,0]=4 1322 B7R1.4 C[C@H]1NCC[C@@H]1O MCULE-5499798144 [1,0,0,1,0,0|2,0,0]=4 1323 B7R1.4 C[C@H]1NCC[C@@H]1O MCULE-7401004387 [1,0,0,1,0,0|2,0,0]=4 1324 B7R1.4 C[C@H]1NCC[C@H]1O MCULE-7469942077 [1,0,0,1,0,0|2,0,0]=4 1325 B7R1.4 C[C@H]1NCC[C@H]1O MCULE-9976903585 [1,0,0,1,0,0|2,0,0]=4 1326 B7R1.4 NC1CCCC1O MCULE-1657591641 [1,0,0,1,0,0|2,0,0]=4 1327 B7R1.4 NC1CCCC1O MCULE-6248992494 [1,0,0,1,0,0|2,0,0]=4 1328 B7R1.4 NC1COCC1O MCULE-3115911209 [1,0,0,1,0,0|1,1,0]=4 1329 B7R1.4 NC1COCC1O MCULE-9837103399 [1,0,0,1,0,0|1,1,0]=4 1330 B7R1.4 NC1CSCC1O MCULE-4474934833 [1,0,0,1,0,0|1,0,0]=3 1331 B7R1.4 NC1CSCC1O MCULE-5059305463 [1,0,0,1,0,0|1,0,0]=3 1332 B7R1.4 NC1CSCC1O MCULE-8633680588 [1,0,0,1,0,0|1,0,0]=3 1333 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-3619202671 [1,0,0,1,0,0|2,0,0]=4 1334 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-5588562063 [1,0,0,1,0,0|2,0,0]=4 1335 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-8937650915 [1,0,0,1,0,0|2,0,0]=4 1336 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9550479411 [1,0,0,1,0,0|2,0,0]=4 1337 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9908988904 [1,0,0,1,0,0|2,0,0]=4 1338 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-2283352070 [1,0,0,1,0,0|2,0,0]=4 1339 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-3279782742 [1,0,0,1,0,0|2,0,0]=4 1340 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-6823698796 [1,0,0,1,0,0|2,0,0]=4 1341 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-7752087047 [1,0,0,1,0,0|2,0,0]=4 1342 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-8823714511 [1,0,0,1,0,0|2,0,0]=4 1343 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-9789739251 [1,0,0,1,0,0|2,0,0]=4 1344 B7R1.4 N[C@@H]1COC[C@@H]1O MCULE-2891920420 [1,0,0,1,0,0|1,1,0]=4 1345 B7R1.4 N[C@@H]1COC[C@@H]1O MCULE-5764643856 [1,0,0,1,0,0|1,1,0]=4 1346 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-1399984261 [1,0,0,1,0,0|1,1,0]=4 1347 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-2321912677 [1,0,0,1,0,0|1,1,0]=4 1348 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-4422404071 [1,0,0,1,0,0|1,1,0]=4 1349 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-7801515292 [1,0,0,1,0,0|1,1,0]=4 1350 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-9112718041 [1,0,0,1,0,0|1,1,0]=4 1351 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-9447703783 [1,0,0,1,0,0|1,1,0]=4 1352 B7R1.4 N[C@@H]1CSC[C@@H]1O MCULE-4507133192 [1,0,0,1,0,0|1,0,0]=3 1353 B7R1.4 N[C@@H]1CSC[C@@H]1O MCULE-9327920188 [1,0,0,1,0,0|1,0,0]=3 1354 B7R1.4 N[C@@H]1CSC[C@H]1O MCULE-5323319055 [1,0,0,1,0,0|1,0,0]=3 1355 B7R1.4 N[C@@H]1CSC[C@H]1O MCULE-8008053411 [1,0,0,1,0,0|1,0,0]=3 1356 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-6629056296 [1,0,0,1,0,0|2,0,0]=4 1357 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-7682114350 [1,0,0,1,0,0|2,0,0]=4 1358 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-8554796061 [1,0,0,1,0,0|2,0,0]=4 1359 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-9329258920 [1,0,0,1,0,0|2,0,0]=4 1360 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-1156997833 [1,0,0,1,0,0|2,0,0]=4 1361 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-2524879699 [1,0,0,1,0,0|2,0,0]=4 1362 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-7034968971 [1,0,0,1,0,0|2,0,0]=4 1363 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9262461574 [1,0,0,1,0,0|2,0,0]=4 1364 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9904485750 [1,0,0,1,0,0|2,0,0]=4 1365 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-1604156911 [1,0,0,1,0,0|1,1,0]=4 1366 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-3157811195 [1,0,0,1,0,0|1,1,0]=4 1367 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-4377495223 [1,0,0,1,0,0|1,1,0]=4 1368 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-8412403655 [1,0,0,1,0,0|1,1,0]=4 1369 B7R1.4 N[C@H]1COC[C@H]1O MCULE-5907972681 [1,0,0,1,0,0|1,1,0]=4 1370 B7R1.4 N[C@H]1COC[C@H]1O MCULE-7502895716 [1,0,0,1,0,0|1,1,0]=4 1371 B7R1.4 N[C@H]1COC[C@H]1O MCULE-8985833831 [1,0,0,1,0,0|1,1,0]=4 1372 B7R1.4 N[C@H]1COC[C@H]1O MCULE-9971794275 [1,0,0,1,0,0|1,1,0]=4 1373 B7R1.4 OC1CCCC1Br MCULE-9027030471 [1,0,0,1,0,0|2,0,0]=4 1374 B7R1.4 OC1CCCC1Cl MCULE-5561130140 [1,0,0,1,0,0|2,0,0]=4 1375 B7R1.4 OC1CCCC1F MCULE-9111039481 [1,0,0,1,0,0|2,0,0]=4 1376 B7R1.4 OC1CCCC1O MCULE-2003945768 [1,0,0,1,0,0|1,0,0]=3 1377 B7R1.4 OC1CNCC1Br MCULE-1241091506 [1,0,0,1,0,0|2,0,0]=4 1378 B7R1.4 OC1CNCC1Br MCULE-4889737174 [1,0,0,1,0,0|2,0,0]=4 1379 B7R1.4 OC1CNCC1F MCULE-3412240528 [1,0,0,1,0,0|2,0,0]=4 1380 B7R1.4 OC1CNCC1F MCULE-7214807363 [1,0,0,1,0,0|2,0,0]=4 1381 B7R1.4 OC1CNCC1O MCULE-4416566731 [1,0,0,1,0,0|1,0,0]=3 1382 B7R1.4 OC1CNCC1O MCULE-7287658845 [1,0,0,1,0,0|1,0,0]=3 1383 B7R1.4 OC1COCC1Br MCULE-8642236751 [1,0,0,1,0,0|1,1,0]=4 1384 B7R1.4 OC1COCC1F MCULE-3255803142 [1,0,0,1,0,0|1,1,0]=4 1385 B7R1.4 OC1COCC1O MCULE-2982401803 [1,0,0,1,0,0|0,1,0]=3 1386 B7R1.4 O[C@@H]1CCC[C@H]1Cl MCULE-5851051143 [1,0,0,1,0,0|2,0,0]=4 1387 B7R1.4 O[C@@H]1CCC[C@H]1Cl MCULE-6816188915 [1,0,0,1,0,0|2,0,0]=4 1388 B7R1.4 O[C@@H]1CCC[C@H]1F MCULE-6825738824 [1,0,0,1,0,0|2,0,0]=4 1389 B7R1.4 O[C@@H]1CCC[C@H]1O MCULE-3171045763 [1,0,0,1,0,0|1,0,0]=3 1390 B7R1.4 O[C@@H]1CCC[C@H]1O MCULE-4369287998 [1,0,0,1,0,0|1,0,0]=3 1391 B7R1.4 O[C@@H]1CNC[C@@H]1F MCULE-4544085940 [1,0,0,1,0,0|2,0,0]=4 1392 B7R1.4 O[C@@H]1CNC[C@@H]1F MCULE-6356393045 [1,0,0,1,0,0|2,0,0]=4 1393 B7R1.4 O[C@@H]1CNC[C@@H]1F MCULE-7332143154 [1,0,0,1,0,0|2,0,0]=4 1394 B7R1.4 O[C@@H]1CNC[C@@H]1F MCULE-8032995983 [1,0,0,1,0,0|2,0,0]=4 1395 B7R1.4 O[C@@H]1CNC[C@@H]1F MCULE-8052505932 [1,0,0,1,0,0|2,0,0]=4 1396 B7R1.4 O[C@@H]1CNC[C@@H]1F MCULE-8564653401 [1,0,0,1,0,0|2,0,0]=4 1397 B7R1.4 O[C@@H]1CNC[C@H]1F MCULE-2691246784 [1,0,0,1,0,0|2,0,0]=4 1398 B7R1.4 O[C@@H]1CNC[C@H]1F MCULE-7250968554 [1,0,0,1,0,0|2,0,0]=4 1399 B7R1.4 O[C@@H]1CNC[C@H]1F MCULE-8439784112 [1,0,0,1,0,0|2,0,0]=4 1400 B7R1.4 O[C@@H]1CNC[C@H]1F MCULE-8682802807 [1,0,0,1,0,0|2,0,0]=4 1401 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-2199886254 [1,0,0,1,0,0|1,0,0]=3 1402 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-3341203076 [1,0,0,1,0,0|1,0,0]=3 1403 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-5521619072 [1,0,0,1,0,0|1,0,0]=3 1404 B7R1.4 O[C@@H]1COC[C@H]1F MCULE-2460253154 [1,0,0,1,0,0|1,1,0]=4 1405 B7R1.4 O[C@@H]1COC[C@H]1F MCULE-3624406213 [1,0,0,1,0,0|1,1,0]=4 1406 B7R1.4 O[C@@H]1COC[C@H]1O MCULE-5846282762 [1,0,0,1,0,0|0,1,0]=3 1407 B7R1.4 O[C@H]1CCC[C@@H]1F MCULE-5487297072 [1,0,0,1,0,0|2,0,0]=4 1408 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-4051443060 [1,0,0,1,0,0|1,0,0]=3 1409 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-4644231649 [1,0,0,1,0,0|1,0,0]=3 1410 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-6847877597 [1,0,0,1,0,0|1,0,0]=3 1411 B7R1.4 O[C@H]1CCC[C@H]1Br MCULE-2758354858 [1,0,0,1,0,0|2,0,0]=4 1412 B7R1.4 O[C@H]1CCC[C@H]1Cl MCULE-6157730443 [1,0,0,1,0,0|2,0,0]=4 1413 B7R1.4 O[C@H]1CCC[C@H]1Cl MCULE-8785327416 [1,0,0,1,0,0|2,0,0]=4 1414 B7R1.4 O[C@H]1CCC[C@H]1O MCULE-7305350842 [1,0,0,1,0,0|1,0,0]=3 1415 B7R1.4 O[C@H]1CNC[C@@H]1F MCULE-3839318633 [1,0,0,1,0,0|2,0,0]=4 1416 B7R1.4 O[C@H]1CNC[C@@H]1F MCULE-4218821429 [1,0,0,1,0,0|2,0,0]=4 1417 B7R1.4 O[C@H]1CNC[C@@H]1F MCULE-7845583982 [1,0,0,1,0,0|2,0,0]=4 1418 B7R1.4 O[C@H]1CNC[C@@H]1F MCULE-9325791348 [1,0,0,1,0,0|2,0,0]=4 1419 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-5585016580 [1,0,0,1,0,0|1,0,0]=3 1420 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-6252837981 [1,0,0,1,0,0|1,0,0]=3 1421 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-7474807017 [1,0,0,1,0,0|1,0,0]=3 1422 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-8814174366 [1,0,0,1,0,0|1,0,0]=3 1423 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-9936814184 [1,0,0,1,0,0|1,0,0]=3 1424 B7R1.4 O[C@H]1CNC[C@H]1F MCULE-2104048645 [1,0,0,1,0,0|2,0,0]=4 1425 B7R1.4 O[C@H]1CNC[C@H]1F MCULE-5086480017 [1,0,0,1,0,0|2,0,0]=4 1426 B7R1.4 O[C@H]1CNC[C@H]1F MCULE-5328004683 [1,0,0,1,0,0|2,0,0]=4 1427 B7R1.4 O[C@H]1CNC[C@H]1F MCULE-5990996560 [1,0,0,1,0,0|2,0,0]=4 1428 B7R1.4 O[C@H]1CNC[C@H]1O MCULE-8087937166 [1,0,0,1,0,0|1,0,0]=3 1429 B7R1.4 O[C@H]1CNC[C@H]1O MCULE-9522092804 [1,0,0,1,0,0|1,0,0]=3 1430 B7R1.4 O[C@H]1COC[C@@H]1F MCULE-7724910066 [1,0,0,1,0,0|1,1,0]=4 1431 B7R1.4 O[C@H]1COC[C@@H]1O MCULE-2140544466 [1,0,0,1,0,0|0,1,0]=3 1432 B7R1.4 O[C@H]1COC[C@@H]1O MCULE-9526811966 [1,0,0,1,0,0|0,1,0]=3 1433 B7R1.4 O[C@H]1COC[C@H]1O MCULE-2862505352 [1,0,0,1,0,0|0,1,0]=3 1434 B7R1.4 [C@@H]1(CNC[C@@H]1O)O MCULE-2661544949 [1,0,0,1,0,0|1,0,0]=3 1435 B7R1.4 [C@H]1(CNC[C@H]1F)O MCULE-1484680203 [1,0,0,1,0,0|2,0,0]=4 1436 B7R1.4 [C@H]1(CNC[C@H]1F)O MCULE-7754900549 [1,0,0,1,0,0|2,0,0]=4 1437 B7R1.4 [NH3+][C@@H]1CSC[C@@H]1O MCULE-5747970201 [1,0,0,1,0,0|1,0,0]=3 1438 B7R1.4 [NH3+][C@@H]1CSC[C@H]1O MCULE-4897701746 [1,0,0,1,0,0|1,0,0]=3 1439 B7R1.6 BrCCC1CCO1 MCULE-2777479085 [1,0,0,1,0,0|2,0,0]=4 1440 B7R1.6 ICCC1CCO1 MCULE-3778448773 [1,0,0,1,0,0|2,0,0]=4 1441 B7R1.6 NCCC1CCO1 MCULE-3619983020 [1,0,0,1,0,0|2,0,0]=4 1442 B7R1.6 NCC[C@@H]1CCO1 MCULE-5442768835 [1,0,0,1,0,0|2,0,0]=4 1443 B7R1.6 OCCC1CCC1 MCULE-1014969390 [1,0,0,1,0,0|2,0,0]=4 1444 B7R1.6 OCCC1CCN1 MCULE-4368379502 [1,0,0,1,0,0|2,0,0]=4 1445 B7R1.6 OCCC1CCO1 MCULE-3323265996 [1,0,0,1,0,0|1,0,0]=3 1446 B7R1.6 OCCN1CCC1 MCULE-5517552533 [1,0,0,1,0,0|2,0,0]=4 1447 B7R1.6 OCC[C@@H]1CCN1 MCULE-9567198532 [1,0,0,1,0,0|2,0,0]=4 1448 B7R1.6 OCC[C@@H]1CCO1 MCULE-6606073727 [1,0,0,1,0,0|1,0,0]=3 1449 B7R1.6 OCC[C@H]1CCN1 MCULE-7385668340 [1,0,0,1,0,0|2,0,0]=4 1450 B7R1.6 OCC[C@H]1CCO1 MCULE-4848994972 [1,0,0,1,0,0|1,0,0]=3 1451 B7R1.6 OCC[C@H]1CCO1 MCULE-9787306242 [1,0,0,1,0,0|1,0,0]=3 1452 B7R1.7 CC/C=C/[C@H]1CO1 MCULE-2083815927 [1,0,0,1,0,0|2,0,0]=4 1453 B7R1.7 CCCCC1CO1 MCULE-8403189539 [1,0,0,1,0,0|2,0,0]=4 1454 B7R1.7 CCOCC1CO1 MCULE-2647353662 [1,0,0,1,0,0|1,1,0]=4 1455 B7R1.7 OCCCC1CC1 MCULE-5336501479 [1,0,0,1,0,0|2,0,0]=4 1456 B7R1.7 OCCNC1CC1 MCULE-2068668434 [1,0,0,1,0,0|2,0,0]=4 1457 B7R1.7 OCCOC1CC1 MCULE-8583841482 [1,0,0,1,0,0|1,1,0]=4 1458 B7R1.8 CC1CCC1CO MCULE-4677269341 [1,0,0,1,0,0|2,0,0]=4 1459 B7R1.8 OCC1CCC1F MCULE-2481035584 [1,0,0,1,0,0|2,0,0]=4 1460 B7R1.8 OCC1CCC1O MCULE-9764745395 [1,0,0,1,0,0|1,0,0]=3 1461 B7R1.8 OC[C@@H]1CC[C@H]1O MCULE-5043281368 [1,0,0,1,0,0|1,0,0]=3 1462 B7R1.8 OC[C@H]1CC[C@H]1O MCULE-1536326248 [1,0,0,1,0,0|1,0,0]=3 1463 B7R1.9 CCC1CC1CO MCULE-3342087238 [1,0,0,1,0,0|2,0,0]=4 1464 B7R1.9 NCC1CC1CO MCULE-2679526126 [1,0,0,1,0,0|2,0,0]=4 1465 B7R1.9 NC[C@H]1C[C@@H]1CO MCULE-4100547975 [1,0,0,1,0,0|2,0,0]=4 1466 B7R1.9 NC[C@H]1C[C@H]1CO MCULE-4756509186 [1,0,0,1,0,0|2,0,0]=4 1467 B7R1.9 OCC1CC1CO MCULE-5153064657 [1,0,0,1,0,0|1,0,0]=3 1468 B7R1.9 OC[C@H]1C[C@H]1CO MCULE-9036138013 [1,0,0,1,0,0|1,0,0]=3 1469 B7R1.24 C1CCCOCC1 MCULE-9994899395 [1,0,0,1,0,0|2,0,0]=4 1470 B7R1.24 C1CCNOCC1 MCULE-7242354366 [1,0,0,1,0,0|2,0,0]=4 1471 B7R1.24 C1CCNOCC1 MCULE-7451936178 [1,0,0,1,0,0|2,0,0]=4 1472 B7R1.24 C1CNCCOC1 MCULE-9147617519 [1,0,0,1,0,0|2,0,0]=4 1473 B7R1.24 C1CNCCOC1 MCULE-9722986943 [1,0,0,1,0,0|2,0,0]=4 1474 B7R1.24 C1CNCCSC1 MCULE-3091366568 [1,0,0,1,0,0|2,0,0]=4 1475 B7R1.24 C1CNCCSC1 MCULE-7881506212 [1,0,0,1,0,0|2,0,0]=4 1476 B7R1.24 C1CNOCCN1 MCULE-3548078740 [1,0,0,1,0,0|2,0,0]=4 1477 B7R1.24 C1CNOCCN1 MCULE-4676245477 [1,0,0,1,0,0|2,0,0]=4 1478 B7R1.24 C1COCCNN1 MCULE-5237837037 [1,0,0,1,0,0|2,0,0]=4 1479 B7R1.24 C1COCCNN1 MCULE-6195400312 [1,0,0,1,0,0|2,0,0]=4 1480 B7R1.24 C1COCCNN1 MCULE-8018224954 [1,0,0,1,0,0|2,0,0]=4 1481 B7R1.24 C1COCCON1 MCULE-1064422282 [1,0,0,1,0,0|1,1,0]=4 1482 B7R1.24 C1COCCON1 MCULE-2039128953 [1,0,0,1,0,0|1,1,0]=4 1483 B7R1.24 C1CSSCCN1 MCULE-1533838386 [1,0,0,1,0,0|1,0,0]=3 1484 B9R1.2 CC1CNCC(O1)CO MCULE-6915504187 [0,1,0,1,0,0|2,0,0]=4 1485 B9R1.2 CN1CCOC(C1)CO MCULE-2306737561 [0,1,0,1,0,0|2,0,0]=4 1486 B9R1.2 CN1CCOC(C1)CO MCULE-7568948293 [0,1,0,1,0,0|2,0,0]=4 1487 B9R1.2 CN1CCO[C@@H](C1)CO MCULE-1798451024 [0,1,0,1,0,0|2,0,0]=4 1488 B9R1.2 CN1CCO[C@@H](C1)CO MCULE-3962856755 [0,1,0,1,0,0|2,0,0]=4 1489 B9R1.2 CN1CCO[C@H](C1)CO MCULE-1402976006 [0,1,0,1,0,0|2,0,0]=4 1490 B9R1.2 CN1CCO[C@H](C1)CO MCULE-5169286559 [0,1,0,1,0,0|2,0,0]=4 1491 B9R1.2 C[C@@H]1CNC[C@H](O1)CO MCULE-4030187082 [0,1,0,1,0,0|2,0,0]=4 1492 B9R1.2 C[C@@H]1CNC[C@H](O1)CO MCULE-8521542499 [0,1,0,1,0,0|2,0,0]=4 1493 B9R1.2 C[C@H]1CNC[C@H](O1)CO MCULE-6331587635 [0,1,0,1,0,0|2,0,0]=4 1494 B9R1.2 C[C@H]1CNC[C@H](O1)CO MCULE-6791243811 [0,1,0,1,0,0|2,0,0]=4 1495 B9R1.2 NC1CCOC(C1)CO MCULE-2895862257 [0,1,0,1,0,0|2,0,0]=4 1496 B9R1.2 NC1CCOC(C1)CO MCULE-9883092947 [0,1,0,1,0,0|2,0,0]=4 1497 B9R1.2 OC[C@@H]1C[C@@H](CCN1)O MCULE-6189374946 [0,1,0,1,0,0|2,0,0]=4 1498 B9R1.2 OC[C@@H]1C[C@@H](CCN1)O MCULE-7813341428 [0,1,0,1,0,0|2,0,0]=4 1499 B9R1.2 OC[C@H]1C[C@H](CCN1)O MCULE-6277104745 [0,1,0,1,0,0|2,0,0]=4 1500 B9R1.2 OC[C@H]1C[C@H](CCN1)O MCULE-9933354273 [0,1,0,1,0,0|2,0,0]=4 1501 B9R1.2 [C@H]1(CNC[C@@H](O1)CO)C MCULE-4259776230 [0,1,0,1,0,0|2,0,0]=4 1502 B9R1.7 CC1CCC(O1)CCO MCULE-3947673644 [0,1,0,1,0,0|2,0,0]=4 1503 B9R1.8 COCC1CNCCO1 MCULE-4284650075 [0,1,0,1,0,0|2,0,0]=4 1504 B9R1.8 COCC1CNCCO1 MCULE-4306480276 [0,1,0,1,0,0|2,0,0]=4 1505 B9R1.8 COCC1CNCCO1 MCULE-9238704936 [0,1,0,1,0,0|2,0,0]=4 1506 B9R1.8 COCC1CNCCO1 MCULE-9910887537 [0,1,0,1,0,0|2,0,0]=4 1507 B9R1.8 COC[C@@H]1CNCCO1 MCULE-1759320762 [0,1,0,1,0,0|2,0,0]=4 1508 B9R1.8 COC[C@@H]1CNCCO1 MCULE-3365011086 [0,1,0,1,0,0|2,0,0]=4 1509 B9R1.8 COC[C@@H]1CNCCO1 MCULE-6900505382 [0,1,0,1,0,0|2,0,0]=4 1510 B9R1.8 COC[C@@H]1CNCCO1 MCULE-8734322374 [0,1,0,1,0,0|2,0,0]=4 1511 B9R1.8 COC[C@H]1CNCCO1 MCULE-1644022700 [0,1,0,1,0,0|2,0,0]=4 1512 B9R1.8 COC[C@H]1CNCCO1 MCULE-4433196291 [0,1,0,1,0,0|2,0,0]=4 1513 B9R1.8 COC[C@H]1CNCCO1 MCULE-5949615002 [0,1,0,1,0,0|2,0,0]=4 1514 B9R1.8 COC[C@H]1CNCCO1 MCULE-6997620929 [0,1,0,1,0,0|2,0,0]=4 1515 B9R1.8 OCCC1CCCCO1 MCULE-8834615080 [0,1,0,1,0,0|2,0,0]=4 1516 B9R1.8 OCCC1CCCOC1 MCULE-3721207963 [0,1,0,1,0,0|2,0,0]=4 1517 B9R1.8 OCCC1CNCCO1 MCULE-5426840446 [0,1,0,1,0,0|2,0,0]=4 1518 B9R1.8 OCCC1CNCCO1 MCULE-7364226481 [0,1,0,1,0,0|2,0,0]=4 1519 B9R1.8 OCCC1COCCN1 MCULE-7671693934 [0,1,0,1,0,0|2,0,0]=4 1520 B9R1.8 OCCC1COCCN1 MCULE-7975926802 [0,1,0,1,0,0|2,0,0]=4 1521 B9R1.8 OCCC1COCCO1 MCULE-8026004111 [0,1,0,1,0,0|1,1,0]=4 1522 B9R1.8 OCCC1CSCCN1 MCULE-2529715107 [0,1,0,1,0,0|2,0,0]=4 1523 B9R1.8 OCCC1SCCCS1 MCULE-5450372948 [0,1,0,1,0,0|1,1,0]=4 1524 B9R1.8 OCCN1CCCCO1 MCULE-3704734263 [0,1,0,1,0,0|2,0,0]=4 1525 B9R1.8 OCC[C@@H]1COCCN1 MCULE-2492409848 [0,1,0,1,0,0|2,0,0]=4 1526 B9R1.8 OCC[C@@H]1COCCN1 MCULE-7538532704 [0,1,0,1,0,0|2,0,0]=4 1527 B9R1.8 OCC[C@@H]1COCCN1 MCULE-8411336469 [0,1,0,1,0,0|2,0,0]=4 1528 B9R1.8 OCC[C@H]1COCCN1 MCULE-4269275620 [0,1,0,1,0,0|2,0,0]=4 1529 B9R1.12 ClCCSC1CCOC1 MCULE-2811911460 [0,1,0,1,0,0|2,0,0]=4 1530 B9R1.12 NCCSC1=NCCS1 MCULE-2775312318 [0,1,0,1,0,0|2,0,0]=4 1531 B9R1.12 OCCCC1CCCO1 MCULE-9721808816 [0,1,0,1,0,0|2,0,0]=4 1532 B9R1.12 OCCCC1OCCO1 MCULE-3402600084 [0,1,0,1,0,0|1,1,0]=4 1533 B9R1.12 OCCOC1CCOC1 MCULE-6665065123 [0,1,0,1,0,0|1,1,0]=4 1534 B9R1.12 [NH3+]CCSC1=[NH+]CCS1 MCULE-3933111091 [0,1,0,1,0,0|2,0,0]=4 1535 B9R1.15 COC1CCCCC1O MCULE-9502513295 [0,1,0,1,0,0|2,0,0]=4 1536 B9R1.15 COC1CCNCC1O MCULE-4844568872 [0,1,0,1,0,0|2,0,0]=4 1537 B9R1.15 COC1CCNCC1O MCULE-5658669344 [0,1,0,1,0,0|2,0,0]=4 1538 B9R1.15 COC1COCCC1O MCULE-4002896267 [0,1,0,1,0,0|1,1,0]=4 1539 B9R1.15 CO[C@@H]1CCNC[C@@H]1O MCULE-1786216428 [0,1,0,1,0,0|2,0,0]=4 1540 B9R1.15 CO[C@@H]1CCNC[C@@H]1O MCULE-5747785572 [0,1,0,1,0,0|2,0,0]=4 1541 B9R1.15 CO[C@@H]1CCNC[C@@H]1O MCULE-8933003557 [0,1,0,1,0,0|2,0,0]=4 1542 B9R1.15 CO[C@@H]1CCNC[C@@H]1O MCULE-9963782997 [0,1,0,1,0,0|2,0,0]=4 1543 B9R1.15 CO[C@H]1CCCC[C@@H]1O MCULE-5178021878 [0,1,0,1,0,0|2,0,0]=4 1544 B9R1.15 CO[C@H]1CCNC[C@@H]1O MCULE-6153348705 [0,1,0,1,0,0|2,0,0]=4 1545 B9R1.15 CO[C@H]1CCNC[C@@H]1O MCULE-8285848321 [0,1,0,1,0,0|2,0,0]=4 1546 B9R1.15 CO[C@H]1CCNC[C@@H]1O MCULE-8316883665 [0,1,0,1,0,0|2,0,0]=4 1547 B9R1.15 CO[C@H]1CCNC[C@@H]1O MCULE-8980786259 [0,1,0,1,0,0|2,0,0]=4 1548 B9R1.15 O=C1NCCOC1CO MCULE-4336719695 [0,1,0,1,0,0|2,0,0]=4 1549 B9R1.15 OCC1CCCCC1O MCULE-1945714569 [0,1,0,1,0,0|2,0,0]=4 1550 B9R1.15 OCC1CCNCC1O MCULE-7571515188 [0,1,0,1,0,0|2,0,0]=4 1551 B9R1.15 OCC1CCNCC1O MCULE-8029631005 [0,1,0,1,0,0|2,0,0]=4 1552 B9R1.15 OCC1CNCCC1O MCULE-1394638729 [0,1,0,1,0,0|2,0,0]=4 1553 B9R1.15 OCC1CNCCC1O MCULE-3316949664 [0,1,0,1,0,0|2,0,0]=4 1554 B9R1.15 OCC1NCCCC1O MCULE-4567185313 [0,1,0,1,0,0|2,0,0]=4 1555 B9R1.15 OCC1NCCCC1O MCULE-6603271501 [0,1,0,1,0,0|2,0,0]=4 1556 B9R1.15 OC[C@@H]1CCNC[C@@H]1O MCULE-3094062800 [0,1,0,1,0,0|2,0,0]=4 1557 B9R1.15 OC[C@@H]1CCNC[C@@H]1O MCULE-6303448234 [0,1,0,1,0,0|2,0,0]=4 1558 B9R1.15 OC[C@@H]1CCNC[C@@H]1O MCULE-6793824447 [0,1,0,1,0,0|2,0,0]=4 1559 B9R1.15 OC[C@@H]1CCNC[C@@H]1O MCULE-9672123449 [0,1,0,1,0,0|2,0,0]=4 1560 B9R1.15 OC[C@@H]1CCNC[C@H]1O MCULE-2277053036 [0,1,0,1,0,0|2,0,0]=4 1561 B9R1.15 OC[C@@H]1CCNC[C@H]1O MCULE-4840185571 [0,1,0,1,0,0|2,0,0]=4 1562 B9R1.15 OC[C@H]1CCNC[C@@H]1O MCULE-1589442124 [0,1,0,1,0,0|2,0,0]=4 1563 B9R1.15 OC[C@H]1CCNC[C@@H]1O MCULE-5378098662 [0,1,0,1,0,0|2,0,0]=4 1564 B9R1.15 OC[C@H]1CCNC[C@@H]1O MCULE-5907126780 [0,1,0,1,0,0|2,0,0]=4 1565 B9R1.15 OC[C@H]1CCNC[C@@H]1O MCULE-6675818472 [0,1,0,1,0,0|2,0,0]=4 1566 B9R1.15 OC[C@H]1CCNC[C@H]1O MCULE-1138683406 [0,1,0,1,0,0|2,0,0]=4 1567 B9R1.15 OC[C@H]1CCNC[C@H]1O MCULE-2009456098 [0,1,0,1,0,0|2,0,0]=4 1568 B9R1.15 OC[C@H]1CCNC[C@H]1O MCULE-6847756490 [0,1,0,1,0,0|2,0,0]=4 1569 B9R1.15 OC[C@H]1CCNC[C@H]1O MCULE-8689272206 [0,1,0,1,0,0|2,0,0]=4 1570 B9R1.15 OC[C@H]1CNCC[C@H]1O MCULE-1702794715 [0,1,0,1,0,0|2,0,0]=4 1571 B9R1.15 OC[C@H]1CNCC[C@H]1O MCULE-9636833446 [0,1,0,1,0,0|2,0,0]=4 1572 B9R1.15 [C@H]1(CNCC[C@H]1CO)O MCULE-6865852051 [0,1,0,1,0,0|2,0,0]=4 1573 B9R1.22 NC1CC(C(C1)CO)O MCULE-6483016480 [0,1,0,1,0,0|2,0,0]=4 1574 B9R1.22 NC1CC(C(C1)CO)O MCULE-7351789396 [0,1,0,1,0,0|2,0,0]=4 1575 B9R1.22 N[C@H]1C[C@@H]([C@@H](C1)CO)O MCULE-1625502283 [0,1,0,1,0,0|2,0,0]=4 1576 B9R1.22 N[C@H]1C[C@@H]([C@@H](C1)CO)O MCULE-2916623249 [0,1,0,1,0,0|2,0,0]=4 1577 B9R1.22 N[C@H]1C[C@@H]([C@@H](C1)CO)O MCULE-3265275024 [0,1,0,1,0,0|2,0,0]=4 1578 B9R1.22 N[C@H]1C[C@@H]([C@@H](C1)CO)O MCULE-5953198671 [0,1,0,1,0,0|2,0,0]=4 1579 B9R1.22 N[C@H]1C[C@@H]([C@@H](C1)CO)O MCULE-6935436356 [0,1,0,1,0,0|2,0,0]=4 1580 B9R1.22 N[C@H]1C[C@@H]([C@@H](C1)CO)O MCULE-8122722811 [0,1,0,1,0,0|2,0,0]=4 1581 B9R1.22 O=C1CC(C(O1)CO)O MCULE-1210550303 [0,1,0,1,0,0|1,1,0]=4 1582 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-2550191764 [0,1,0,1,0,0|1,1,0]=4 1583 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-3529189398 [0,1,0,1,0,0|1,1,0]=4 1584 B9R1.22 OCC1OC(CC1O)O MCULE-1321369472 [0,1,0,1,0,0|1,1,0]=4 1585 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-2396008864 [0,1,0,1,0,0|1,1,0]=4 1586 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-3186725991 [0,1,0,1,0,0|1,1,0]=4 1587 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-8127322430 [0,1,0,1,0,0|1,1,0]=4 1588 B9R1.22 OC[C@H]1OC(C[C@@H]1O)O MCULE-5678157789 [0,1,0,1,0,0|1,1,0]=4 1589 B9R1.22 [C@@H]1(CC(=O)O[C@@H]1CO)O MCULE-1905436889 [0,1,0,1,0,0|1,1,0]=4 1590 B9R1.33 OCCC1CCCC1O MCULE-2038693822 [0,1,0,1,0,0|2,0,0]=4 1591 B9R1.50 OC1CSCCCSC1 MCULE-8296129342 [0,1,0,1,0,0|1,1,0]=4 1592 B9R1.69 OC1CC(C(CO1)O)O MCULE-3654762746 [0,1,0,1,0,0|1,1,0]=4 1593 B9R1.69 OC1C[C@@H]([C@@H](CO1)O)O MCULE-2084054051 [0,1,0,1,0,0|1,1,0]=4 1594 B9R1.69 OC1C[C@@H]([C@@H](CO1)O)O MCULE-9105480679 [0,1,0,1,0,0|1,1,0]=4 1595 B9R1.69 OC1C[C@H]([C@H](CO1)O)O MCULE-7375065985 [0,1,0,1,0,0|1,1,0]=4 1596 B9R1.134 CC1(OCCO1)CCO MCULE-3568444922 [0,1,0,1,0,0|1,1,0]=4 1597 B9R1.5 OC1CCCCCC1O MCULE-7682077273 [0,1,0,1,0,0|2,0,0]=4 1598 B9R1.5 O[C@H]1CCCCC[C@@H]1O MCULE-9651607332 [0,1,0,1,0,0|2,0,0]=4 1599 B9R1.14 OCC1CNCC1CO MCULE-3216303466 [0,1,0,1,0,0|2,0,0]=4 1600 B9R1.14 OCC1CNCC1CO MCULE-8556792970 [0,1,0,1,0,0|2,0,0]=4 1601 B9R1.14 OC[C@@H]1CNC[C@@H]1CO MCULE-5441133280 [0,1,0,1,0,0|2,0,0]=4 1602 B9R1.14 OC[C@@H]1CNC[C@@H]1CO MCULE-8785740812 [0,1,0,1,0,0|2,0,0]=4 1603 B9R1.14 OC[C@@H]1CNC[C@H]1CO MCULE-1923940000 [0,1,0,1,0,0|2,0,0]=4 1604 B9R1.14 OC[C@@H]1CNC[C@H]1CO MCULE-8086146822 [0,1,0,1,0,0|2,0,0]=4 1605 B9R1.14 OC[C@H]1CNC[C@@H]1CO MCULE-3807624796 [0,1,0,1,0,0|2,0,0]=4 1606 B9R1.14 OC[C@H]1CNC[C@@H]1CO MCULE-7784303809 [0,1,0,1,0,0|2,0,0]=4 1607 B9R1.17 OCCCNC1COC1 MCULE-5500778025 [0,1,0,1,0,0|2,0,0]=4 1608 B9R1.17 OCCCOC1COC1 MCULE-4049269381 [0,1,0,1,0,0|1,1,0]=4 1609 B9R1.83 COCCOCC1CO1 MCULE-3263450391 [0,1,0,1,0,0|1,1,0]=4 1610 B9R1.83 OCCCOCC1CO1 MCULE-9629508633 [0,1,0,1,0,0|1,1,0]=4 1611 B9R1.83 OCCCSCC1CC1 MCULE-6467928586 [0,1,0,1,0,0|2,0,0]=4 1612 B9R1.89 OCC1CCNCCO1 MCULE-9176508562 [0,1,0,1,0,0|2,0,0]=4 1613 B9R1.89 OCC1CNCCCO1 MCULE-7903525804 [0,1,0,1,0,0|2,0,0]=4 1614 B9R1.89 OCC1CNCCCO1 MCULE-9908272497 [0,1,0,1,0,0|2,0,0]=4 1615 B9R1.89 OCC1CNCCOC1 MCULE-9049672869 [0,1,0,1,0,0|2,0,0]=4 1616 B9R1.89 OCC1COCCOC1 MCULE-3330785002 [0,1,0,1,0,0|1,1,0]=4 1617 B9R1.89 OC[C@@H]1CNCCCO1 MCULE-3544932007 [0,1,0,1,0,0|2,0,0]=4 1618 B9R1.89 OC[C@@H]1CNCCCO1 MCULE-4726628241 [0,1,0,1,0,0|2,0,0]=4 1619 B9R1.89 OC[C@@H]1CNCCCO1 MCULE-5225680882 [0,1,0,1,0,0|2,0,0]=4 1620 B9R1.89 OC[C@@H]1CNCCCO1 MCULE-5475510815 [0,1,0,1,0,0|2,0,0]=4 1621 B9R1.89 OC[C@H]1CNCCCO1 MCULE-2922219127 [0,1,0,1,0,0|2,0,0]=4 1622 B9R1.89 OC[C@H]1CNCCCO1 MCULE-3177968218 [0,1,0,1,0,0|2,0,0]=4 1623 B9R1.89 OC[C@H]1CNCCCO1 MCULE-3793527665 [0,1,0,1,0,0|2,0,0]=4 1624 B9R1.89 OC[C@H]1CNCCCO1 MCULE-7260252629 [0,1,0,1,0,0|2,0,0]=4 1625 B9R1.1 CC1COC(CN1)CO MCULE-1554968868 [0,1,0,1,0,0|2,0,0]=4 1626 B9R1.1 NC1CCC(OC1)CO MCULE-4245301257 [0,1,0,1,0,0|2,0,0]=4 1627 B9R1.1 NC1CCC(OC1)CO MCULE-4483575448 [0,1,0,1,0,0|2,0,0]=4 1628 B9R1.1 N[C@@H]1CC[C@H](OC1)CO MCULE-5075594203 [0,1,0,1,0,0|2,0,0]=4 1629 B9R1.1 N[C@@H]1CC[C@H](OC1)CO MCULE-6987959950 [0,1,0,1,0,0|2,0,0]=4 1630 B9R1.1 N[C@H]1CC[C@H](OC1)CO MCULE-2411909324 [0,1,0,1,0,0|2,0,0]=4 1631 B9R1.1 OCC1CCC(CO1)O MCULE-4333559257 [0,1,0,1,0,0|2,0,0]=4 1632 B9R1.3 CC1OCCC(C1O)O MCULE-6494583965 [0,1,0,1,0,0|1,1,0]=4 1633 B9R1.3 C[C@@H]1CNC[C@@H]([C@@H]1O)O MCULE-4065345114 [0,1,0,1,0,0|2,0,0]=4 1634 B9R1.3 C[C@@H]1CNC[C@@H]([C@@H]1O)O MCULE-5732596905 [0,1,0,1,0,0|2,0,0]=4 1635 B9R1.3 C[C@H]1CNC[C@@H]([C@@H]1O)O MCULE-3640440568 [0,1,0,1,0,0|2,0,0]=4 1636 B9R1.3 C[C@H]1CNC[C@@H]([C@@H]1O)O MCULE-9501528896 [0,1,0,1,0,0|2,0,0]=4 1637 B9R1.3 N[C@@H]1CCC[C@H]([C@@H]1O)O MCULE-7294484287 [0,1,0,1,0,0|2,0,0]=4 1638 B9R1.3 N[C@H]1CCC[C@@H]([C@@H]1O)O MCULE-4901407173 [0,1,0,1,0,0|2,0,0]=4 1639 B9R1.3 N[C@H]1CCC[C@H]([C@@H]1O)O MCULE-2706489441 [0,1,0,1,0,0|2,0,0]=4 1640 B9R1.3 OC1CCCC(C1O)O MCULE-2835511427 [0,1,0,1,0,0|2,0,0]=4 1641 B9R1.11 NC(CO)C1CCCO1 MCULE-1115414738 [0,1,0,1,0,0|2,0,0]=4 1642 B9R1.21 OCC1CCC(N1)CO MCULE-1103775354 [0,1,0,1,0,0|2,0,0]=4 1643 B9R1.21 OCC1CCC(O1)CO MCULE-3334782559 [0,1,0,1,0,0|2,0,0]=4 1644 B9R1.21 OCC1CNC(C1)CO MCULE-7672485489 [0,1,0,1,0,0|2,0,0]=4 1645 B9R1.21 OCC1CNC(C1)CO MCULE-7965706550 [0,1,0,1,0,0|2,0,0]=4 1646 B9R1.21 OC[C@@H]1CC[C@@H](O1)CO MCULE-5217154467 [0,1,0,1,0,0|2,0,0]=4 1647 B9R1.118 CC1(CCCCO1)CO MCULE-1474953219 [0,1,0,1,0,0|2,0,0]=4 1648 B9R1.118 CC1(COCCO1)CO MCULE-2402682578 [0,1,0,1,0,0|1,1,0]=4 1649 B9R1.132 OCC1NCC(C1O)O MCULE-7093172739 [0,1,0,1,0,0|2,0,0]=4 1650 B9R1.132 OCC1NCC(C1O)O MCULE-9377849443 [0,1,0,1,0,0|2,0,0]=4 1651 B9R1.132 OCC1OCC(C1O)O MCULE-6035918255 [0,1,0,1,0,0|1,1,0]=4 1652 B9R1.132 OC[C@@H]1OC[C@H]([C@H]1O)O MCULE-5977248366 [0,1,0,1,0,0|1,1,0]=4 1653 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O MCULE-1707860323 [0,1,0,1,0,0|2,0,0]=4 1654 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O MCULE-3279393618 [0,1,0,1,0,0|2,0,0]=4 1655 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O MCULE-8001939489 [0,1,0,1,0,0|2,0,0]=4 1656 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O MCULE-9735967120 [0,1,0,1,0,0|2,0,0]=4 1657 B9R1.132 OC[C@H]1NC[C@H]([C@@H]1O)O MCULE-2264267716 [0,1,0,1,0,0|2,0,0]=4 1658 B9R1.132 OC[C@H]1NC[C@H]([C@@H]1O)O MCULE-3690741497 [0,1,0,1,0,0|2,0,0]=4 1659 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O MCULE-1695946114 [0,1,0,1,0,0|2,0,0]=4 1660 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O MCULE-4767198765 [0,1,0,1,0,0|2,0,0]=4 1661 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O MCULE-7740799111 [0,1,0,1,0,0|2,0,0]=4 1662 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O MCULE-9816210484 [0,1,0,1,0,0|2,0,0]=4 1663 B9R1.132 OC[C@H]1OC[C@@H]([C@@H]1O)O MCULE-2426542638 [0,1,0,1,0,0|1,1,0]=4 1664 B9R1.132 OC[C@H]1OC[C@@H]([C@H]1O)O MCULE-2697830391 [0,1,0,1,0,0|1,1,0]=4 1665 B9R1.132 OC[C@H]1OC[C@@H]([C@H]1O)O MCULE-3664631398 [0,1,0,1,0,0|1,1,0]=4 1666 B9R1.132 OC[C@H]1SC[C@@H]([C@@H]1O)O MCULE-5460809648 [0,1,0,1,0,0|1,0,0]=3 1667 B9R1.6 CC(O)C1CNCCO1 MCULE-5611108274 [0,1,0,1,0,0|2,0,0]=4 1668 B9R1.40 CC1(CCOCC1O)O MCULE-9069325911 [0,1,0,1,0,0|1,1,0]=4 1669 B9R1.40 C[C@@]1(CCOC[C@H]1O)O MCULE-3803598208 [0,1,0,1,0,0|1,1,0]=4 1670 B9R2.65 OCC1C2C1OCC2 MCULE-4265471603 [0,0,0,2,0,0|2,0,0]=4 1671 B9R2.39 OC1CC2CCC1O2 MCULE-3124193235 [0,0,0,2,0,0|2,0,0]=4 1672 B9R2.39 [C@@H]12CC[C@@H](O1)[C@H](C2)O MCULE-2630669259 [0,0,0,2,0,0|2,0,0]=4 1673 B9R2.69 C(CC1CO1)C2CO2 MCULE-6280715792 [0,0,0,2,0,0|2,0,0]=4