0 B4R0.2 BrC#CCBr MCULE-2798351684 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 BrC=CCBr MCULE-1480697982 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.2 BrCCCBr MCULE-6500110480 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.2 BrCCCI MCULE-6470610840 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.2 BrCOCBr MCULE-2371209322 [0,0,0,0,0,0|4,0,0]=4 5 B4R0.2 C#CC=CC MCULE-9741359131 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.2 C#CCCBr MCULE-1495603480 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.2 C#CCCC MCULE-1233806896 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.2 C#CCCCl MCULE-5602517887 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.2 C#CCCI MCULE-2832310719 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.2 C#CCCN MCULE-1223656854 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.2 C#CCCN MCULE-6408469965 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.2 C#CCCO MCULE-1797559276 [0,0,0,0,0,0|1,0,1]=2 13 B4R0.2 C#CCCO MCULE-8743964065 [0,0,0,0,0,0|1,0,1]=2 14 B4R0.2 C#CCNC MCULE-9758975590 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.2 C#CCNN MCULE-4982688533 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.2 C#CCNN MCULE-9271344952 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.2 C#CCNO MCULE-7210831528 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.2 C#CCNO MCULE-8082854360 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.2 C#CCOC MCULE-9172422462 [0,0,0,0,0,0|1,0,1]=2 20 B4R0.2 C#CCON MCULE-1220634713 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.2 C#CCON MCULE-5781631200 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.2 C#CCSC MCULE-6808040899 [0,0,0,0,0,0|1,1,1]=3 23 B4R0.2 C#COCC MCULE-1522528824 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.2 C/C=C/C#N MCULE-2754343103 [0,0,0,0,0,0|2,0,2]=4 25 B4R0.2 C/C=C/C=O MCULE-9924705308 [0,0,0,0,0,0|1,0,3]=4 26 B4R0.2 C/C=C/CCl MCULE-9977493525 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.2 C/C=C/CO MCULE-2383161163 [0,0,0,0,0,0|1,0,1]=2 28 B4R0.2 C/C=C/OC MCULE-3906920304 [0,0,0,0,0,0|1,0,2]=3 29 B4R0.2 C/C=C\CO MCULE-5924662327 [0,0,0,0,0,0|1,0,1]=2 30 B4R0.2 C=C=CCC MCULE-6123315571 [0,0,0,0,0,0|2,0,2]=4 31 B4R0.2 C=C=CCN MCULE-5700871644 [0,0,0,0,0,0|2,0,2]=4 32 B4R0.2 C=C=CCN MCULE-9120483529 [0,0,0,0,0,0|2,0,2]=4 33 B4R0.2 C=C=CCO MCULE-5424851896 [0,0,0,0,0,0|1,0,2]=3 34 B4R0.2 C=CC=CC MCULE-4452516287 [0,0,0,0,0,0|2,0,2]=4 35 B4R0.2 C=CCC#N MCULE-2566589348 [0,0,0,0,0,0|2,0,2]=4 36 B4R0.2 C=CCCBr MCULE-2890129103 [0,0,0,0,0,0|2,0,1]=3 37 B4R0.2 C=CCCC MCULE-8386546337 [0,0,0,0,0,0|2,0,1]=3 38 B4R0.2 C=CCCCl MCULE-5903789900 [0,0,0,0,0,0|2,0,1]=3 39 B4R0.2 C=CCCI MCULE-1055671394 [0,0,0,0,0,0|2,0,1]=3 40 B4R0.2 C=CCCN MCULE-2471716627 [0,0,0,0,0,0|2,0,1]=3 41 B4R0.2 C=CCCN MCULE-2881108697 [0,0,0,0,0,0|2,0,1]=3 42 B4R0.2 C=CCCO MCULE-4582400839 [0,0,0,0,0,0|1,0,1]=2 43 B4R0.2 C=CCNC MCULE-3335720336 [0,0,0,0,0,0|2,0,1]=3 44 B4R0.2 C=CCNN MCULE-2550690274 [0,0,0,0,0,0|3,0,1]=4 45 B4R0.2 C=CCNN MCULE-3554567414 [0,0,0,0,0,0|3,0,1]=4 46 B4R0.2 C=CCNN MCULE-8741523989 [0,0,0,0,0,0|3,0,1]=4 47 B4R0.2 C=CCOC MCULE-3321225771 [0,0,0,0,0,0|1,0,1]=2 48 B4R0.2 C=CCON MCULE-2094787759 [0,0,0,0,0,0|2,0,1]=3 49 B4R0.2 C=CCON MCULE-6222602533 [0,0,0,0,0,0|2,0,1]=3 50 B4R0.2 C=CCSC MCULE-4452023915 [0,0,0,0,0,0|1,1,1]=3 51 B4R0.2 C=COCC MCULE-2569047033 [0,0,0,0,0,0|3,0,1]=4 52 B4R0.2 C=CSCC MCULE-8927374165 [0,0,0,0,0,0|3,0,1]=4 53 B4R0.2 C=NCC#N MCULE-3686954074 [0,0,0,0,0,0|2,0,2]=4 54 B4R0.2 CC#CC=O MCULE-9270622693 [0,0,0,0,0,0|1,0,3]=4 55 B4R0.2 CC#CCBr MCULE-3596191560 [0,0,0,0,0,0|2,0,1]=3 56 B4R0.2 CC#CCC MCULE-8848779220 [0,0,0,0,0,0|2,0,1]=3 57 B4R0.2 CC#CCI MCULE-3596701582 [0,0,0,0,0,0|2,0,1]=3 58 B4R0.2 CC#CCN MCULE-7027146471 [0,0,0,0,0,0|2,0,1]=3 59 B4R0.2 CC#CCN MCULE-9570644542 [0,0,0,0,0,0|2,0,1]=3 60 B4R0.2 CC#CCO MCULE-5096552076 [0,0,0,0,0,0|1,0,1]=2 61 B4R0.2 CC=CC#N MCULE-5062019142 [0,0,0,0,0,0|2,0,2]=4 62 B4R0.2 CC=CC=O MCULE-2497362981 [0,0,0,0,0,0|1,0,3]=4 63 B4R0.2 CC=CCBr MCULE-7855581866 [0,0,0,0,0,0|2,0,1]=3 64 B4R0.2 CC=CCC MCULE-5931905453 [0,0,0,0,0,0|2,0,1]=3 65 B4R0.2 CC=CCCl MCULE-3941962217 [0,0,0,0,0,0|2,0,1]=3 66 B4R0.2 CC=CCO MCULE-7490725844 [0,0,0,0,0,0|1,0,1]=2 67 B4R0.2 CC=COC MCULE-6712403535 [0,0,0,0,0,0|1,0,2]=3 68 B4R0.2 CC=CSC MCULE-5921906156 [0,0,0,0,0,0|1,1,2]=4 69 B4R0.2 CCC#CI MCULE-6466997582 [0,0,0,0,0,0|2,0,2]=4 70 B4R0.2 CCC=CBr MCULE-4471551501 [0,0,0,0,0,0|2,0,2]=4 71 B4R0.2 CCC=NO MCULE-9457280654 [0,0,0,0,0,0|2,0,1]=3 72 B4R0.2 CCCC#N MCULE-8571076087 [0,0,0,0,0,0|2,0,1]=3 73 B4R0.2 CCCC=O MCULE-8530391347 [0,0,0,0,0,0|1,0,2]=3 74 B4R0.2 CCCCBr MCULE-3390217131 [0,0,0,0,0,0|2,0,0]=2 75 B4R0.2 CCCCC MCULE-4643148765 [0,0,0,0,0,0|2,0,0]=2 76 B4R0.2 CCCCCl MCULE-5329900290 [0,0,0,0,0,0|2,0,0]=2 77 B4R0.2 CCCCF MCULE-7225760858 [0,0,0,0,0,0|2,0,0]=2 78 B4R0.2 CCCCI MCULE-1160974720 [0,0,0,0,0,0|2,0,0]=2 79 B4R0.2 CCCCN MCULE-1731874934 [0,0,0,0,0,0|2,0,0]=2 80 B4R0.2 CCCCN MCULE-4233278050 [0,0,0,0,0,0|2,0,0]=2 81 B4R0.2 CCCCN MCULE-5242069370 [0,0,0,0,0,0|2,0,0]=2 82 B4R0.2 CCCCN MCULE-7343835253 [0,0,0,0,0,0|2,0,0]=2 83 B4R0.2 CCCCO MCULE-1571156443 [0,0,0,0,0,0|1,0,0]=1 84 B4R0.2 CCCCS MCULE-9441213933 [0,0,0,0,0,0|1,1,0]=2 85 B4R0.2 CCCNC MCULE-2266616259 [0,0,0,0,0,0|2,0,0]=2 86 B4R0.2 CCCNC MCULE-7722796872 [0,0,0,0,0,0|2,0,0]=2 87 B4R0.2 CCCNN MCULE-4121438775 [0,0,0,0,0,0|3,0,0]=3 88 B4R0.2 CCCNN MCULE-5875592228 [0,0,0,0,0,0|3,0,0]=3 89 B4R0.2 CCCNN MCULE-9585694661 [0,0,0,0,0,0|3,0,0]=3 90 B4R0.2 CCCOC MCULE-5854067718 [0,0,0,0,0,0|1,0,0]=1 91 B4R0.2 CCCON MCULE-4800172637 [0,0,0,0,0,0|2,0,0]=2 92 B4R0.2 CCCON MCULE-7988781002 [0,0,0,0,0,0|2,0,0]=2 93 B4R0.2 CCCSC MCULE-8387041737 [0,0,0,0,0,0|1,1,0]=2 94 B4R0.2 CCN=C=O MCULE-6522145601 [0,0,0,0,0,0|2,0,2]=4 95 B4R0.2 CCN=C=S MCULE-9838756606 [0,0,0,0,0,0|2,1,1]=4 96 B4R0.2 CCNC=O MCULE-9309926274 [0,0,0,0,0,0|2,0,2]=4 97 B4R0.2 CCNCC MCULE-3395060353 [0,0,0,0,0,0|3,0,0]=3 98 B4R0.2 CCNCC MCULE-4374609736 [0,0,0,0,0,0|3,0,0]=3 99 B4R0.2 CCNCC MCULE-4555901025 [0,0,0,0,0,0|3,0,0]=3 100 B4R0.2 CCNCC MCULE-6895602113 [0,0,0,0,0,0|3,0,0]=3 101 B4R0.2 CCNOC MCULE-4797714235 [0,0,0,0,0,0|2,0,0]=2 102 B4R0.2 CCNOC MCULE-6486167423 [0,0,0,0,0,0|2,0,0]=2 103 B4R0.2 CCOC=N MCULE-5321655909 [0,0,0,0,0,0|3,0,1]=4 104 B4R0.2 CCOC=N MCULE-8158357614 [0,0,0,0,0,0|3,0,1]=4 105 B4R0.2 CCOC=O MCULE-6245072161 [0,0,0,0,0,0|2,0,2]=4 106 B4R0.2 CCOCBr MCULE-6644755987 [0,0,0,0,0,0|3,0,0]=3 107 B4R0.2 CCOCC MCULE-5665709021 [0,0,0,0,0,0|3,0,0]=3 108 B4R0.2 CCOCCl MCULE-5087992840 [0,0,0,0,0,0|3,0,0]=3 109 B4R0.2 CCONC MCULE-5446312516 [0,0,0,0,0,0|3,0,0]=3 110 B4R0.2 CCONC MCULE-7976027802 [0,0,0,0,0,0|3,0,0]=3 111 B4R0.2 CCSC#N MCULE-1270730084 [0,0,0,0,0,0|3,0,1]=4 112 B4R0.2 CCSCC MCULE-6480710239 [0,0,0,0,0,0|3,0,0]=3 113 B4R0.2 CCSCCl MCULE-3890542152 [0,0,0,0,0,0|3,0,0]=3 114 B4R0.2 CCSSC MCULE-9430585714 [0,0,0,0,0,0|2,1,0]=3 115 B4R0.2 CC[NH2+]CC MCULE-9899430356 [0,0,0,0,0,0|3,0,0]=3 116 B4R0.2 CNCC#N MCULE-1233170363 [0,0,0,0,0,0|2,0,1]=3 117 B4R0.2 CNCC#N MCULE-4334159739 [0,0,0,0,0,0|2,0,1]=3 118 B4R0.2 CNCC#N MCULE-8267124503 [0,0,0,0,0,0|2,0,1]=3 119 B4R0.2 CNCCBr MCULE-3708780806 [0,0,0,0,0,0|2,0,0]=2 120 B4R0.2 CNCCBr MCULE-6840755559 [0,0,0,0,0,0|2,0,0]=2 121 B4R0.2 CNCCCl MCULE-1666345560 [0,0,0,0,0,0|2,0,0]=2 122 B4R0.2 CNCCCl MCULE-8215813413 [0,0,0,0,0,0|2,0,0]=2 123 B4R0.2 CNCCF MCULE-3719880423 [0,0,0,0,0,0|2,0,0]=2 124 B4R0.2 CNCCF MCULE-3751701745 [0,0,0,0,0,0|2,0,0]=2 125 B4R0.2 CNCCI MCULE-7026781832 [0,0,0,0,0,0|2,0,0]=2 126 B4R0.2 CNCCI MCULE-8892686580 [0,0,0,0,0,0|2,0,0]=2 127 B4R0.2 CNCCN MCULE-2881688448 [0,0,0,0,0,0|2,0,0]=2 128 B4R0.2 CNCCN MCULE-7199403269 [0,0,0,0,0,0|2,0,0]=2 129 B4R0.2 CNCCO MCULE-7051900771 [0,0,0,0,0,0|1,0,0]=1 130 B4R0.2 CNCCO MCULE-7934732981 [0,0,0,0,0,0|1,0,0]=1 131 B4R0.2 CNCCS MCULE-6430516369 [0,0,0,0,0,0|1,1,0]=2 132 B4R0.2 COCC#N MCULE-9178522865 [0,0,0,0,0,0|1,0,1]=2 133 B4R0.2 COCC=O MCULE-9427361019 [0,0,0,0,0,0|0,0,2]=2 134 B4R0.2 COCCBr MCULE-8316331262 [0,0,0,0,0,0|1,0,0]=1 135 B4R0.2 COCCCl MCULE-8886627413 [0,0,0,0,0,0|1,0,0]=1 136 B4R0.2 COCCI MCULE-9391124374 [0,0,0,0,0,0|1,0,0]=1 137 B4R0.2 COCCN MCULE-5051556646 [0,0,0,0,0,0|1,0,0]=1 138 B4R0.2 COCCN MCULE-7519068386 [0,0,0,0,0,0|1,0,0]=1 139 B4R0.2 COCCO MCULE-4751927883 [0,0,0,0,0,0|0,0,0]=0 140 B4R0.2 COCCS MCULE-7803276094 [0,0,0,0,0,0|0,1,0]=1 141 B4R0.2 COCOC MCULE-8559076702 [0,0,0,0,0,0|2,0,0]=2 142 B4R0.2 COCON MCULE-6032854331 [0,0,0,0,0,0|2,0,0]=2 143 B4R0.2 CSCC#N MCULE-3607261611 [0,0,0,0,0,0|1,1,1]=3 144 B4R0.2 CSCCBr MCULE-1684461541 [0,0,0,0,0,0|1,1,0]=2 145 B4R0.2 CSCCCl MCULE-8593103756 [0,0,0,0,0,0|1,1,0]=2 146 B4R0.2 CSCCN MCULE-5168245255 [0,0,0,0,0,0|1,1,0]=2 147 B4R0.2 CSCCN MCULE-6275285732 [0,0,0,0,0,0|1,1,0]=2 148 B4R0.2 CSCCO MCULE-9706874325 [0,0,0,0,0,0|0,1,0]=1 149 B4R0.2 CSCSC MCULE-5603964020 [0,0,0,0,0,0|2,1,0]=3 150 B4R0.2 CSSSC MCULE-4175573612 [0,0,0,0,0,0|3,1,0]=4 151 B4R0.2 Cl/C=C/CCl MCULE-4516188972 [0,0,0,0,0,0|3,0,1]=4 152 B4R0.2 ClC/C=C/Br MCULE-1061414929 [0,0,0,0,0,0|3,0,1]=4 153 B4R0.2 ClC=CCCl MCULE-4655672652 [0,0,0,0,0,0|3,0,1]=4 154 B4R0.2 ClCCCBr MCULE-7937580875 [0,0,0,0,0,0|3,0,0]=3 155 B4R0.2 ClCCCCl MCULE-6693270397 [0,0,0,0,0,0|3,0,0]=3 156 B4R0.2 ClCCCI MCULE-1521526833 [0,0,0,0,0,0|3,0,0]=3 157 B4R0.2 ClCSCCl MCULE-5228778525 [0,0,0,0,0,0|4,0,0]=4 158 B4R0.2 FCCCBr MCULE-5674735753 [0,0,0,0,0,0|3,0,0]=3 159 B4R0.2 FCCCF MCULE-1803511350 [0,0,0,0,0,0|3,0,0]=3 160 B4R0.2 FCCCI MCULE-9287814857 [0,0,0,0,0,0|3,0,0]=3 161 B4R0.2 ICCCI MCULE-9849754168 [0,0,0,0,0,0|3,0,0]=3 162 B4R0.2 ICOCI MCULE-4901830231 [0,0,0,0,0,0|4,0,0]=4 163 B4R0.2 N#CCC#N MCULE-6287283578 [0,0,0,0,0,0|3,0,1]=4 164 B4R0.2 N#CCCBr MCULE-1744180602 [0,0,0,0,0,0|3,0,0]=3 165 B4R0.2 N#CCCCl MCULE-3511379481 [0,0,0,0,0,0|3,0,0]=3 166 B4R0.2 N#CCCI MCULE-1591942951 [0,0,0,0,0,0|3,0,0]=3 167 B4R0.2 N#CCCN MCULE-8482296338 [0,0,0,0,0,0|3,0,0]=3 168 B4R0.2 N#CCCN MCULE-9518086954 [0,0,0,0,0,0|3,0,0]=3 169 B4R0.2 N#CCCO MCULE-5098987368 [0,0,0,0,0,0|2,0,0]=2 170 B4R0.2 N#CCCS MCULE-7199964466 [0,0,0,0,0,0|2,1,0]=3 171 B4R0.2 N#CCNO MCULE-6808474875 [0,0,0,0,0,0|3,0,0]=3 172 B4R0.2 N#CCON MCULE-1849571406 [0,0,0,0,0,0|2,0,1]=3 173 B4R0.2 N#CCON MCULE-2156159928 [0,0,0,0,0,0|2,0,1]=3 174 B4R0.2 N#CSCBr MCULE-8731078262 [0,0,0,0,0,0|4,0,0]=4 175 B4R0.2 N#CSCCl MCULE-2916227294 [0,0,0,0,0,0|4,0,0]=4 176 B4R0.2 NCCCBr MCULE-5485748003 [0,0,0,0,0,0|3,0,0]=3 177 B4R0.2 NCCCBr MCULE-7072709972 [0,0,0,0,0,0|3,0,0]=3 178 B4R0.2 NCCCCl MCULE-1324157004 [0,0,0,0,0,0|3,0,0]=3 179 B4R0.2 NCCCCl MCULE-3667248190 [0,0,0,0,0,0|3,0,0]=3 180 B4R0.2 NCCCF MCULE-5215746973 [0,0,0,0,0,0|3,0,0]=3 181 B4R0.2 NCCCF MCULE-8077133369 [0,0,0,0,0,0|3,0,0]=3 182 B4R0.2 NCCCI MCULE-3534892097 [0,0,0,0,0,0|3,0,0]=3 183 B4R0.2 NCCCI MCULE-8010453546 [0,0,0,0,0,0|3,0,0]=3 184 B4R0.2 NCCCN MCULE-4293255820 [0,0,0,0,0,0|3,0,0]=3 185 B4R0.2 NCCCN MCULE-5041378433 [0,0,0,0,0,0|3,0,0]=3 186 B4R0.2 NCCCN MCULE-6944452060 [0,0,0,0,0,0|3,0,0]=3 187 B4R0.2 NCCCN MCULE-7375662153 [0,0,0,0,0,0|3,0,0]=3 188 B4R0.2 NCCCN MCULE-8277465929 [0,0,0,0,0,0|3,0,0]=3 189 B4R0.2 NCCCN MCULE-9929373126 [0,0,0,0,0,0|3,0,0]=3 190 B4R0.2 NCCCO MCULE-2851278356 [0,0,0,0,0,0|2,0,0]=2 191 B4R0.2 NCCCO MCULE-9698089092 [0,0,0,0,0,0|2,0,0]=2 192 B4R0.2 NCCCS MCULE-3994478020 [0,0,0,0,0,0|2,1,0]=3 193 B4R0.2 NCCCS MCULE-7730973866 [0,0,0,0,0,0|2,1,0]=3 194 B4R0.2 NCCON MCULE-3613980902 [0,0,0,0,0,0|2,0,0]=2 195 B4R0.2 NCCON MCULE-7030217952 [0,0,0,0,0,0|2,0,0]=2 196 B4R0.2 NCCON MCULE-8959912781 [0,0,0,0,0,0|2,0,0]=2 197 B4R0.2 NNCCF MCULE-2712460031 [0,0,0,0,0,0|3,0,0]=3 198 B4R0.2 NNCCF MCULE-8505927457 [0,0,0,0,0,0|3,0,0]=3 199 B4R0.2 NNCCO MCULE-1290652744 [0,0,0,0,0,0|2,0,0]=2 200 B4R0.2 NOCCBr MCULE-2796346082 [0,0,0,0,0,0|2,0,0]=2 201 B4R0.2 NOCCBr MCULE-5636354898 [0,0,0,0,0,0|2,0,0]=2 202 B4R0.2 NOCCCl MCULE-5981688956 [0,0,0,0,0,0|2,0,0]=2 203 B4R0.2 NOCCF MCULE-1813481600 [0,0,0,0,0,0|2,0,0]=2 204 B4R0.2 NOCCF MCULE-2993254805 [0,0,0,0,0,0|2,0,0]=2 205 B4R0.2 NOCCO MCULE-2545004367 [0,0,0,0,0,0|1,0,0]=1 206 B4R0.2 O=C=NCCl MCULE-7751104052 [0,0,0,0,0,0|4,0,0]=4 207 B4R0.2 O=CCCBr MCULE-4107157458 [0,0,0,0,0,0|3,0,0]=3 208 B4R0.2 O=CCCCl MCULE-5863929313 [0,0,0,0,0,0|3,0,0]=3 209 B4R0.2 O=CCCI MCULE-9771140462 [0,0,0,0,0,0|3,0,0]=3 210 B4R0.2 O=CCCO MCULE-1685289763 [0,0,0,0,0,0|2,0,0]=2 211 B4R0.2 OC=CCCl MCULE-4750991393 [0,0,0,0,0,0|2,0,2]=4 212 B4R0.2 OCC#CBr MCULE-2495653455 [0,0,0,0,0,0|2,0,1]=3 213 B4R0.2 OCC#CI MCULE-1101149708 [0,0,0,0,0,0|2,0,1]=3 214 B4R0.2 OCC=CBr MCULE-4636104289 [0,0,0,0,0,0|2,0,1]=3 215 B4R0.2 OCC=CCl MCULE-2110127594 [0,0,0,0,0,0|2,0,1]=3 216 B4R0.2 OCCCBr MCULE-3450011527 [0,0,0,0,0,0|2,0,0]=2 217 B4R0.2 OCCCCl MCULE-2319230957 [0,0,0,0,0,0|2,0,0]=2 218 B4R0.2 OCCCF MCULE-2347934403 [0,0,0,0,0,0|2,0,0]=2 219 B4R0.2 OCCCI MCULE-5200713967 [0,0,0,0,0,0|2,0,0]=2 220 B4R0.2 OCCCO MCULE-5166824786 [0,0,0,0,0,0|2,0,0]=2 221 B4R0.2 OCCCS MCULE-7930164048 [0,0,0,0,0,0|2,0,0]=2 222 B4R0.2 ON=CCCl MCULE-5736695742 [0,0,0,0,0,0|3,0,1]=4 223 B4R0.2 PCCCP MCULE-6048146071 [0,0,0,0,0,0|3,0,0]=3 224 B4R0.2 SCCCBr MCULE-4627341228 [0,0,0,0,0,0|2,1,0]=3 225 B4R0.2 SCCCCl MCULE-6410389127 [0,0,0,0,0,0|2,1,0]=3 226 B4R0.2 SCCCS MCULE-8220630729 [0,0,0,0,0,0|2,1,0]=3 227 B4R0.2 [NH2+](CC)CC MCULE-1192179232 [0,0,0,0,0,0|3,0,0]=3 228 B4R0.2 [NH3+]OCO[NH3+] MCULE-1014646507 [0,0,0,0,0,0|3,0,0]=3 229 B4R0.2 [NH3+]OCO[NH3+] MCULE-2130820760 [0,0,0,0,0,0|3,0,0]=3 230 B3R0.1 BrCCBr MCULE-7586462642 [1,0,0,0,0,0|2,0,0]=3 231 B3R0.1 BrCCI MCULE-8691237057 [1,0,0,0,0,0|2,0,0]=3 232 B3R0.1 C#CCBr MCULE-7634822695 [1,0,0,0,0,0|1,0,2]=4 233 B3R0.1 C#CCC MCULE-8090253856 [1,0,0,0,0,0|1,0,1]=3 234 B3R0.1 C#CCCl MCULE-8379017189 [1,0,0,0,0,0|1,0,2]=4 235 B3R0.1 C#CCN MCULE-3201948975 [1,0,0,0,0,0|1,0,2]=4 236 B3R0.1 C#CCN MCULE-6286515491 [1,0,0,0,0,0|1,0,2]=4 237 B3R0.1 C#CCO MCULE-3909200923 [1,0,0,0,0,0|0,0,2]=3 238 B3R0.1 C/B=N/O MCULE-5227399299 [1,0,0,0,0,0|2,0,0]=3 239 B3R0.1 C/C=C/Br MCULE-4076369660 [1,0,0,0,0,0|1,0,2]=4 240 B3R0.1 C/C=N/O MCULE-2376410404 [1,0,0,0,0,0|1,0,1]=3 241 B3R0.1 C=CCBr MCULE-9486454833 [1,0,0,0,0,0|1,0,2]=4 242 B3R0.1 C=CCC MCULE-8167907130 [1,0,0,0,0,0|1,0,1]=3 243 B3R0.1 C=CCCl MCULE-4067772785 [1,0,0,0,0,0|1,0,2]=4 244 B3R0.1 C=CCF MCULE-7783191980 [1,0,0,0,0,0|1,0,2]=4 245 B3R0.1 C=CCI MCULE-5037698873 [1,0,0,0,0,0|1,0,2]=4 246 B3R0.1 C=CCN MCULE-2424616806 [1,0,0,0,0,0|1,0,2]=4 247 B3R0.1 C=CCN MCULE-2473480946 [1,0,0,0,0,0|1,0,2]=4 248 B3R0.1 C=CCO MCULE-2145308838 [1,0,0,0,0,0|0,0,2]=3 249 B3R0.1 C=CCS MCULE-7270484838 [1,0,0,0,0,0|0,1,2]=4 250 B3R0.1 C=COC MCULE-4880746684 [1,0,0,0,0,0|0,0,2]=3 251 B3R0.1 CC#CC MCULE-3721942346 [1,0,0,0,0,0|1,0,1]=3 252 B3R0.1 CC#CI MCULE-4817406645 [1,0,0,0,0,0|1,0,2]=4 253 B3R0.1 CC=CBr MCULE-2098755460 [1,0,0,0,0,0|1,0,2]=4 254 B3R0.1 CC=CCl MCULE-9225887510 [1,0,0,0,0,0|1,0,2]=4 255 B3R0.1 CC=NO MCULE-9761317381 [1,0,0,0,0,0|1,0,1]=3 256 B3R0.1 CCC#N MCULE-9484970536 [1,0,0,0,0,0|1,0,1]=3 257 B3R0.1 CCC=O MCULE-4079744837 [1,0,0,0,0,0|0,0,2]=3 258 B3R0.1 CCCBr MCULE-2393970713 [1,0,0,0,0,0|1,0,0]=2 259 B3R0.1 CCCC MCULE-9760497805 [1,0,0,0,0,0|1,0,0]=2 260 B3R0.1 CCCCl MCULE-3496412829 [1,0,0,0,0,0|1,0,0]=2 261 B3R0.1 CCCF MCULE-8540338768 [1,0,0,0,0,0|1,0,0]=2 262 B3R0.1 CCCI MCULE-1721488805 [1,0,0,0,0,0|1,0,0]=2 263 B3R0.1 CCCN MCULE-2885523792 [1,0,0,0,0,0|1,0,0]=2 264 B3R0.1 CCCN MCULE-4318907091 [1,0,0,0,0,0|1,0,0]=2 265 B3R0.1 CCCN MCULE-6330457870 [1,0,0,0,0,0|1,0,0]=2 266 B3R0.1 CCCN MCULE-7146820007 [1,0,0,0,0,0|1,0,0]=2 267 B3R0.1 CCCO MCULE-6252105126 [1,0,0,0,0,0|0,0,0]=1 268 B3R0.1 CCCS MCULE-8267649092 [1,0,0,0,0,0|0,1,0]=2 269 B3R0.1 CCNC MCULE-7215376398 [1,0,0,0,0,0|1,0,0]=2 270 B3R0.1 CCNC MCULE-9811899205 [1,0,0,0,0,0|1,0,0]=2 271 B3R0.1 CCNN MCULE-4753127904 [1,0,0,0,0,0|2,0,0]=3 272 B3R0.1 CCNN MCULE-7630363192 [1,0,0,0,0,0|2,0,0]=3 273 B3R0.1 CCNN MCULE-8402230944 [1,0,0,0,0,0|2,0,0]=3 274 B3R0.1 CCNO MCULE-1215586669 [1,0,0,0,0,0|1,0,0]=2 275 B3R0.1 CCNO MCULE-7075818857 [1,0,0,0,0,0|1,0,0]=2 276 B3R0.1 CCON MCULE-5316082054 [1,0,0,0,0,0|1,0,0]=2 277 B3R0.1 CCON MCULE-6621418839 [1,0,0,0,0,0|1,0,0]=2 278 B3R0.1 CCO[NH3+] MCULE-7670481464 [1,0,0,0,0,0|1,0,0]=2 279 B3R0.1 CCO[NH3+] MCULE-7871083232 [1,0,0,0,0,0|1,0,0]=2 280 B3R0.1 CCSC MCULE-6944750263 [1,0,0,0,0,0|0,1,0]=2 281 B3R0.1 CN=C=O MCULE-7764606582 [1,0,0,0,0,0|1,0,2]=4 282 B3R0.1 CN=C=S MCULE-6174235995 [1,0,0,0,0,0|1,1,1]=4 283 B3R0.1 CNC#N MCULE-9135475289 [1,0,0,0,0,0|2,0,1]=4 284 B3R0.1 CNC=O MCULE-4739122677 [1,0,0,0,0,0|1,0,2]=4 285 B3R0.1 CNC=S MCULE-1018523469 [1,0,0,0,0,0|1,1,1]=4 286 B3R0.1 CNNC MCULE-5932476941 [1,0,0,0,0,0|2,0,0]=3 287 B3R0.1 CNNC MCULE-6419598860 [1,0,0,0,0,0|2,0,0]=3 288 B3R0.1 CNOC MCULE-1706082503 [1,0,0,0,0,0|1,0,0]=2 289 B3R0.1 CNOC MCULE-6224540090 [1,0,0,0,0,0|1,0,0]=2 290 B3R0.1 COC=O MCULE-9122749354 [1,0,0,0,0,0|0,0,2]=3 291 B3R0.1 COCBr MCULE-2566721472 [1,0,0,0,0,0|1,0,0]=2 292 B3R0.1 COCCl MCULE-5928768006 [1,0,0,0,0,0|1,0,0]=2 293 B3R0.1 COCI MCULE-5215132549 [1,0,0,0,0,0|1,0,0]=2 294 B3R0.1 CSC#N MCULE-3677411130 [1,0,0,0,0,0|1,1,1]=4 295 B3R0.1 CSCCl MCULE-1281800596 [1,0,0,0,0,0|1,1,0]=3 296 B3R0.1 CSSC MCULE-7451882535 [1,0,0,0,0,0|1,1,0]=3 297 B3R0.1 C[Se][Se]C MCULE-1189700302 [1,0,0,0,0,0|1,1,0]=3 298 B3R0.1 ClCCBr MCULE-3933774075 [1,0,0,0,0,0|2,0,0]=3 299 B3R0.1 ClCCCl MCULE-3493741440 [1,0,0,0,0,0|2,0,0]=3 300 B3R0.1 ClCCI MCULE-7847880962 [1,0,0,0,0,0|2,0,0]=3 301 B3R0.1 FCCBr MCULE-3117974140 [1,0,0,0,0,0|2,0,0]=3 302 B3R0.1 FCCCl MCULE-1862981403 [1,0,0,0,0,0|2,0,0]=3 303 B3R0.1 FCCF MCULE-1975194621 [1,0,0,0,0,0|2,0,0]=3 304 B3R0.1 FCCI MCULE-3689313503 [1,0,0,0,0,0|2,0,0]=3 305 B3R0.1 ICCI MCULE-8025471988 [1,0,0,0,0,0|2,0,0]=3 306 B3R0.1 N#CCBr MCULE-3684255203 [1,0,0,0,0,0|2,0,1]=4 307 B3R0.1 N#CCCl MCULE-5316147295 [1,0,0,0,0,0|2,0,1]=4 308 B3R0.1 N#CCF MCULE-7784616816 [1,0,0,0,0,0|2,0,1]=4 309 B3R0.1 N#CCI MCULE-4005602243 [1,0,0,0,0,0|2,0,1]=4 310 B3R0.1 N#CCN MCULE-6677928349 [1,0,0,0,0,0|2,0,1]=4 311 B3R0.1 N#CCN MCULE-6699419972 [1,0,0,0,0,0|2,0,1]=4 312 B3R0.1 N/C=N/O MCULE-9567664507 [1,0,0,0,0,0|2,0,1]=4 313 B3R0.1 NCCBr MCULE-3401124597 [1,0,0,0,0,0|2,0,0]=3 314 B3R0.1 NCCBr MCULE-6215378497 [1,0,0,0,0,0|2,0,0]=3 315 B3R0.1 NCCCl MCULE-1458699843 [1,0,0,0,0,0|2,0,0]=3 316 B3R0.1 NCCCl MCULE-6944306112 [1,0,0,0,0,0|2,0,0]=3 317 B3R0.1 NCCF MCULE-1670520169 [1,0,0,0,0,0|2,0,0]=3 318 B3R0.1 NCCF MCULE-4963351029 [1,0,0,0,0,0|2,0,0]=3 319 B3R0.1 NCCI MCULE-6905308399 [1,0,0,0,0,0|2,0,0]=3 320 B3R0.1 NCCI MCULE-7487764362 [1,0,0,0,0,0|2,0,0]=3 321 B3R0.1 NCCN MCULE-4740333723 [1,0,0,0,0,0|2,0,0]=3 322 B3R0.1 NCCN MCULE-6795272853 [1,0,0,0,0,0|2,0,0]=3 323 B3R0.1 NCCN MCULE-8304126024 [1,0,0,0,0,0|2,0,0]=3 324 B3R0.1 NCCN MCULE-8325612144 [1,0,0,0,0,0|2,0,0]=3 325 B3R0.1 NCCO MCULE-5175116598 [1,0,0,0,0,0|1,0,0]=2 326 B3R0.1 NCCO MCULE-8624730373 [1,0,0,0,0,0|1,0,0]=2 327 B3R0.1 NCCS MCULE-1838427828 [1,0,0,0,0,0|1,1,0]=3 328 B3R0.1 NCCS MCULE-2418938683 [1,0,0,0,0,0|1,1,0]=3 329 B3R0.1 NOC=O MCULE-4489199776 [1,0,0,0,0,0|1,0,2]=4 330 B3R0.1 O=CCBr MCULE-9076011270 [1,0,0,0,0,0|1,0,2]=4 331 B3R0.1 O=CCCl MCULE-7307216184 [1,0,0,0,0,0|1,0,2]=4 332 B3R0.1 O=CCI MCULE-1146810366 [1,0,0,0,0,0|1,0,2]=4 333 B3R0.1 OCCBr MCULE-5097256006 [1,0,0,0,0,0|1,0,0]=2 334 B3R0.1 OCCCl MCULE-5139580173 [1,0,0,0,0,0|1,0,0]=2 335 B3R0.1 OCCF MCULE-7590677201 [1,0,0,0,0,0|1,0,0]=2 336 B3R0.1 OCCI MCULE-8359750387 [1,0,0,0,0,0|1,0,0]=2 337 B3R0.1 OCCO MCULE-6366313128 [1,0,0,0,0,0|0,0,0]=1 338 B3R0.1 OCCS MCULE-2252943288 [1,0,0,0,0,0|0,1,0]=2 339 B3R0.1 PCCP MCULE-2159678577 [1,0,0,0,0,0|2,0,0]=3 340 B3R0.1 SCCBr MCULE-5899941299 [1,0,0,0,0,0|1,1,0]=3 341 B3R0.1 SCCS MCULE-8277435664 [1,0,0,0,0,0|0,2,0]=3 342 B3R0.1 [NH3+]CCS MCULE-6407472407 [1,0,0,0,0,0|1,1,0]=3 343 B3R0.1 [NH3+]CC[NH3+] MCULE-5313549416 [1,0,0,0,0,0|2,0,0]=3 344 B5R0.1 C#CCC(=O)O MCULE-4680699666 [0,1,0,0,0,0|1,0,2]=4 345 B5R0.1 C#CCC(C)C MCULE-2506063278 [0,1,0,0,0,0|2,0,1]=4 346 B5R0.1 C#CCC(C)N MCULE-1523044787 [0,1,0,0,0,0|2,0,1]=4 347 B5R0.1 C#CCC(C)N MCULE-3399522488 [0,1,0,0,0,0|2,0,1]=4 348 B5R0.1 C#CCC(C)O MCULE-2487589857 [0,1,0,0,0,0|1,0,1]=3 349 B5R0.1 C#CCN(C)C MCULE-1589925874 [0,1,0,0,0,0|2,0,1]=4 350 B5R0.1 C(C)(N)CCC MCULE-4800297905 [0,1,0,0,0,0|2,0,0]=3 351 B5R0.1 C(C)(N)CCC MCULE-7674864567 [0,1,0,0,0,0|2,0,0]=3 352 B5R0.1 C(C)(N)CCO MCULE-5545469271 [0,1,0,0,0,0|1,0,0]=2 353 B5R0.1 C/C(=C/CI)/I MCULE-4907089043 [0,1,0,0,0,0|2,0,1]=4 354 B5R0.1 C/C(=C/CN)/Cl MCULE-1091573118 [0,1,0,0,0,0|2,0,1]=4 355 B5R0.1 C/C(=C/CN)/Cl MCULE-8112023611 [0,1,0,0,0,0|2,0,1]=4 356 B5R0.1 C/C(=C\CCl)/Cl MCULE-6679259233 [0,1,0,0,0,0|2,0,1]=4 357 B5R0.1 C/C=C/B(O)O MCULE-6649221952 [0,1,0,0,0,0|2,0,1]=4 358 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [0,1,0,0,0,0|1,0,2]=4 359 B5R0.1 C/C=C/C(C)C MCULE-8705863155 [0,1,0,0,0,0|2,0,1]=4 360 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [0,1,0,0,0,0|1,0,1]=3 361 B5R0.1 C/C=C\B(O)O MCULE-3000711987 [0,1,0,0,0,0|2,0,1]=4 362 B5R0.1 C=C(Br)CCBr MCULE-7638627279 [0,1,0,0,0,0|2,0,1]=4 363 B5R0.1 C=C(Br)CCO MCULE-3743908958 [0,1,0,0,0,0|1,0,1]=3 364 B5R0.1 C=C(Br)COC MCULE-5349428431 [0,1,0,0,0,0|1,0,1]=3 365 B5R0.1 C=C(C)CCBr MCULE-3439794005 [0,1,0,0,0,0|2,0,0]=3 366 B5R0.1 C=C(C)CCC MCULE-8225129744 [0,1,0,0,0,0|2,0,0]=3 367 B5R0.1 C=C(C)CCCl MCULE-2816016781 [0,1,0,0,0,0|2,0,0]=3 368 B5R0.1 C=C(C)CCI MCULE-6317205481 [0,1,0,0,0,0|2,0,0]=3 369 B5R0.1 C=C(C)CCN MCULE-4037025602 [0,1,0,0,0,0|2,0,0]=3 370 B5R0.1 C=C(C)CCN MCULE-5001503744 [0,1,0,0,0,0|2,0,0]=3 371 B5R0.1 C=C(C)CCO MCULE-2689800711 [0,1,0,0,0,0|1,0,0]=2 372 B5R0.1 C=C(C)CNC MCULE-6783886553 [0,1,0,0,0,0|2,0,1]=4 373 B5R0.1 C=C(C)CNC MCULE-8292313282 [0,1,0,0,0,0|2,0,1]=4 374 B5R0.1 C=C(C)CNN MCULE-1117931770 [0,1,0,0,0,0|3,0,0]=4 375 B5R0.1 C=C(C)CON MCULE-2773974323 [0,1,0,0,0,0|2,0,1]=4 376 B5R0.1 C=C(C)CON MCULE-5978680243 [0,1,0,0,0,0|2,0,1]=4 377 B5R0.1 C=C(C)OCC MCULE-5303468686 [0,1,0,0,0,0|3,0,0]=4 378 B5R0.1 C=CCB(O)O MCULE-2306600658 [0,1,0,0,0,0|2,0,1]=4 379 B5R0.1 C=CCC(=C)C MCULE-6294070836 [0,1,0,0,0,0|2,0,1]=4 380 B5R0.1 C=CCC(=O)O MCULE-6288979337 [0,1,0,0,0,0|1,0,2]=4 381 B5R0.1 C=CCC(C)Br MCULE-5638987302 [0,1,0,0,0,0|2,0,1]=4 382 B5R0.1 C=CCC(C)C MCULE-4586731422 [0,1,0,0,0,0|2,0,1]=4 383 B5R0.1 C=CCC(C)N MCULE-5354228552 [0,1,0,0,0,0|2,0,1]=4 384 B5R0.1 C=CCC(C)N MCULE-9454660067 [0,1,0,0,0,0|2,0,1]=4 385 B5R0.1 C=CCC(C)O MCULE-7724200334 [0,1,0,0,0,0|1,0,1]=3 386 B5R0.1 C=CCC(C)O MCULE-9910771503 [0,1,0,0,0,0|1,0,1]=3 387 B5R0.1 C=CCN(C)C MCULE-6958853335 [0,1,0,0,0,0|2,0,1]=4 388 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [0,1,0,0,0,0|1,0,1]=3 389 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [0,1,0,0,0,0|1,0,1]=3 390 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [0,1,0,0,0,0|2,0,1]=4 391 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [0,1,0,0,0,0|2,0,1]=4 392 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [0,1,0,0,0,0|1,0,1]=3 393 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [0,1,0,0,0,0|1,0,1]=3 394 B5R0.1 CC#CC(=O)O MCULE-9994142213 [0,1,0,0,0,0|1,0,2]=4 395 B5R0.1 CC#CC(C)C MCULE-9841369985 [0,1,0,0,0,0|2,0,1]=4 396 B5R0.1 CC#CC(C)O MCULE-5523814936 [0,1,0,0,0,0|1,0,1]=3 397 B5R0.1 CC(=CCBr)C MCULE-7961276795 [0,1,0,0,0,0|2,0,1]=4 398 B5R0.1 CC(=CCCl)C MCULE-1110417103 [0,1,0,0,0,0|2,0,1]=4 399 B5R0.1 CC(=CCCl)Cl MCULE-9735045489 [0,1,0,0,0,0|2,0,1]=4 400 B5R0.1 CC(=CCI)I MCULE-4204968539 [0,1,0,0,0,0|2,0,1]=4 401 B5R0.1 CC(=CCN)C MCULE-7220252581 [0,1,0,0,0,0|2,0,1]=4 402 B5R0.1 CC(=CCN)C MCULE-8394581250 [0,1,0,0,0,0|2,0,1]=4 403 B5R0.1 CC(=CCN)Cl MCULE-1749173363 [0,1,0,0,0,0|2,0,1]=4 404 B5R0.1 CC(=CCN)Cl MCULE-5722512850 [0,1,0,0,0,0|2,0,1]=4 405 B5R0.1 CC(=CCO)C MCULE-3984123588 [0,1,0,0,0,0|1,0,1]=3 406 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [0,1,0,0,0,0|1,0,1]=3 407 B5R0.1 CC(=CCO)I MCULE-4600854759 [0,1,0,0,0,0|1,0,1]=3 408 B5R0.1 CC(=CCS)C MCULE-4180446913 [0,1,0,0,0,0|1,1,1]=4 409 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [0,1,0,0,0,0|2,0,1]=4 410 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [0,1,0,0,0,0|2,0,1]=4 411 B5R0.1 CC(=O)C=NO MCULE-5513006918 [0,1,0,0,0,0|2,0,1]=4 412 B5R0.1 CC(=O)CC#N MCULE-7203242552 [0,1,0,0,0,0|2,0,1]=4 413 B5R0.1 CC(=O)CCBr MCULE-2615300206 [0,1,0,0,0,0|2,0,0]=3 414 B5R0.1 CC(=O)CCCl MCULE-8019748964 [0,1,0,0,0,0|2,0,0]=3 415 B5R0.1 CC(=O)CCN MCULE-7550348751 [0,1,0,0,0,0|2,0,0]=3 416 B5R0.1 CC(=O)CCN MCULE-9519063810 [0,1,0,0,0,0|2,0,0]=3 417 B5R0.1 CC(=O)CCO MCULE-6328537335 [0,1,0,0,0,0|1,0,0]=2 418 B5R0.1 CC(=O)NCO MCULE-4563335540 [0,1,0,0,0,0|2,0,0]=3 419 B5R0.1 CC(=O)OCBr MCULE-9842804945 [0,1,0,0,0,0|3,0,0]=4 420 B5R0.1 CC(=O)OCCl MCULE-6822222026 [0,1,0,0,0,0|3,0,0]=4 421 B5R0.1 CC(=O)SCBr MCULE-9794607323 [0,1,0,0,0,0|3,0,0]=4 422 B5R0.1 CC(Br)CC#N MCULE-6321379216 [0,1,0,0,0,0|2,0,1]=4 423 B5R0.1 CC(Br)CCBr MCULE-1045475402 [0,1,0,0,0,0|2,0,0]=3 424 B5R0.1 CC(C)/C=N/O MCULE-3201457095 [0,1,0,0,0,0|2,0,1]=4 425 B5R0.1 CC(C)C=NO MCULE-9842574696 [0,1,0,0,0,0|2,0,1]=4 426 B5R0.1 CC(C)CC#N MCULE-4346986727 [0,1,0,0,0,0|2,0,1]=4 427 B5R0.1 CC(C)CC=O MCULE-2939497534 [0,1,0,0,0,0|1,0,2]=4 428 B5R0.1 CC(C)CCBr MCULE-7163010428 [0,1,0,0,0,0|2,0,0]=3 429 B5R0.1 CC(C)CCCl MCULE-8360122696 [0,1,0,0,0,0|2,0,0]=3 430 B5R0.1 CC(C)CCCl MCULE-9017922949 [0,1,0,0,0,0|2,0,0]=3 431 B5R0.1 CC(C)CCI MCULE-4934529500 [0,1,0,0,0,0|2,0,0]=3 432 B5R0.1 CC(C)CCN MCULE-3081003576 [0,1,0,0,0,0|2,0,0]=3 433 B5R0.1 CC(C)CCN MCULE-5118782389 [0,1,0,0,0,0|2,0,0]=3 434 B5R0.1 CC(C)CCN MCULE-5217981670 [0,1,0,0,0,0|2,0,0]=3 435 B5R0.1 CC(C)CCN MCULE-6280940933 [0,1,0,0,0,0|2,0,0]=3 436 B5R0.1 CC(C)CCO MCULE-7411270401 [0,1,0,0,0,0|1,0,0]=2 437 B5R0.1 CC(C)CCS MCULE-7115473363 [0,1,0,0,0,0|1,1,0]=3 438 B5R0.1 CC(C)CNN MCULE-6797887001 [0,1,0,0,0,0|3,0,0]=4 439 B5R0.1 CC(C)CNN MCULE-9592971233 [0,1,0,0,0,0|3,0,0]=4 440 B5R0.1 CC(C)CNN MCULE-9725792452 [0,1,0,0,0,0|3,0,0]=4 441 B5R0.1 CC(C)CON MCULE-3476786246 [0,1,0,0,0,0|2,0,0]=3 442 B5R0.1 CC(C)CON MCULE-4450654727 [0,1,0,0,0,0|2,0,0]=3 443 B5R0.1 CC(C)OCCl MCULE-3680602217 [0,1,0,0,0,0|3,0,0]=4 444 B5R0.1 CC(C)SCCl MCULE-3836735379 [0,1,0,0,0,0|3,0,0]=4 445 B5R0.1 CC(Cl)CCCl MCULE-3656498608 [0,1,0,0,0,0|2,0,0]=3 446 B5R0.1 CC(Cl)CCO MCULE-1955496242 [0,1,0,0,0,0|1,0,0]=2 447 B5R0.1 CC(F)CCBr MCULE-3035340901 [0,1,0,0,0,0|2,0,0]=3 448 B5R0.1 CC(F)CCI MCULE-6469250150 [0,1,0,0,0,0|2,0,0]=3 449 B5R0.1 CC(F)CCN MCULE-2805813131 [0,1,0,0,0,0|2,0,0]=3 450 B5R0.1 CC(F)CCN MCULE-5849913362 [0,1,0,0,0,0|2,0,0]=3 451 B5R0.1 CC(N)CC#N MCULE-2350352782 [0,1,0,0,0,0|2,0,1]=4 452 B5R0.1 CC(N)CC#N MCULE-7269201059 [0,1,0,0,0,0|2,0,1]=4 453 B5R0.1 CC(N)CCN MCULE-5308134596 [0,1,0,0,0,0|2,0,0]=3 454 B5R0.1 CC(N)CCN MCULE-5880045507 [0,1,0,0,0,0|2,0,0]=3 455 B5R0.1 CC(N)CCN MCULE-7827515430 [0,1,0,0,0,0|2,0,0]=3 456 B5R0.1 CC(N)CCO MCULE-1771399942 [0,1,0,0,0,0|1,0,0]=2 457 B5R0.1 CC(N)CCO MCULE-7239872808 [0,1,0,0,0,0|1,0,0]=2 458 B5R0.1 CC(O)CC#N MCULE-7172428142 [0,1,0,0,0,0|2,0,0]=3 459 B5R0.1 CC(O)CCBr MCULE-7983169885 [0,1,0,0,0,0|2,0,0]=3 460 B5R0.1 CC(O)CCCl MCULE-2952545606 [0,1,0,0,0,0|2,0,0]=3 461 B5R0.1 CC(O)CCN MCULE-6836791276 [0,1,0,0,0,0|2,0,0]=3 462 B5R0.1 CC(O)CCN MCULE-7186260925 [0,1,0,0,0,0|2,0,0]=3 463 B5R0.1 CC(O)CCO MCULE-1694239851 [0,1,0,0,0,0|1,0,0]=2 464 B5R0.1 CC(O)CCO MCULE-7784884948 [0,1,0,0,0,0|1,0,0]=2 465 B5R0.1 CC(O)CNN MCULE-4956670781 [0,1,0,0,0,0|2,0,0]=3 466 B5R0.1 CC(O)CNN MCULE-7917439573 [0,1,0,0,0,0|2,0,0]=3 467 B5R0.1 CC(O)CON MCULE-1051091134 [0,1,0,0,0,0|1,0,0]=2 468 B5R0.1 CC(O)CON MCULE-6722092589 [0,1,0,0,0,0|1,0,0]=2 469 B5R0.1 CC(S)CCO MCULE-5702212503 [0,1,0,0,0,0|1,0,0]=2 470 B5R0.1 CC=CB(O)O MCULE-7417903348 [0,1,0,0,0,0|2,0,1]=4 471 B5R0.1 CC=CC(=O)O MCULE-7970410217 [0,1,0,0,0,0|1,0,2]=4 472 B5R0.1 CC=CC(C)C MCULE-9898453837 [0,1,0,0,0,0|2,0,1]=4 473 B5R0.1 CC=CC(C)O MCULE-4806592836 [0,1,0,0,0,0|1,0,1]=3 474 B5R0.1 CCC=C(C)C MCULE-2405063894 [0,1,0,0,0,0|2,0,1]=4 475 B5R0.1 CCCB(O)O MCULE-4994980798 [0,1,0,0,0,0|2,0,0]=3 476 B5R0.1 CCCC(=N)N MCULE-5974105638 [0,1,0,0,0,0|2,0,1]=4 477 B5R0.1 CCCC(=N)N MCULE-9230704591 [0,1,0,0,0,0|2,0,1]=4 478 B5R0.1 CCCC(=O)C MCULE-7174095676 [0,1,0,0,0,0|2,0,0]=3 479 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [0,1,0,0,0,0|1,0,2]=4 480 B5R0.1 CCCC(=O)N MCULE-2712067671 [0,1,0,0,0,0|1,0,2]=4 481 B5R0.1 CCCC(=O)O MCULE-4116382006 [0,1,0,0,0,0|1,0,1]=3 482 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [0,1,0,0,0,0|1,0,2]=4 483 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [0,1,0,0,0,0|1,0,2]=4 484 B5R0.1 CCCC(=S)N MCULE-3529335988 [0,1,0,0,0,0|1,1,1]=4 485 B5R0.1 CCCC(=S)O MCULE-3382199964 [0,1,0,0,0,0|1,0,1]=3 486 B5R0.1 CCCC(C)Br MCULE-3178073667 [0,1,0,0,0,0|2,0,0]=3 487 B5R0.1 CCCC(C)C MCULE-9604552974 [0,1,0,0,0,0|2,0,0]=3 488 B5R0.1 CCCC(C)N MCULE-2640298430 [0,1,0,0,0,0|2,0,0]=3 489 B5R0.1 CCCC(C)N MCULE-7225905167 [0,1,0,0,0,0|2,0,0]=3 490 B5R0.1 CCCC(C)O MCULE-8205906299 [0,1,0,0,0,0|1,0,0]=2 491 B5R0.1 CCCC(C)S MCULE-1649095713 [0,1,0,0,0,0|1,1,0]=3 492 B5R0.1 CCCC(O)Cl MCULE-3188577082 [0,1,0,0,0,0|1,0,0]=2 493 B5R0.1 CCCN(=O)=O MCULE-5615753372 [0,1,0,0,0,0|2,0,1]=4 494 B5R0.1 CCCN(C)C MCULE-8702643596 [0,1,0,0,0,0|2,0,0]=3 495 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [0,1,0,0,0,0|2,0,1]=4 496 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [0,1,0,0,0,0|2,0,1]=4 497 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [0,1,0,0,0,0|2,0,0]=3 498 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [0,1,0,0,0,0|2,0,0]=3 499 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [0,1,0,0,0,0|2,0,0]=3 500 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [0,1,0,0,0,0|2,0,0]=3 501 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [0,1,0,0,0,0|1,0,0]=2 502 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [0,1,0,0,0,0|2,0,0]=3 503 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [0,1,0,0,0,0|2,0,0]=3 504 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [0,1,0,0,0,0|2,0,0]=3 505 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [0,1,0,0,0,0|2,0,0]=3 506 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [0,1,0,0,0,0|1,0,0]=2 507 B5R0.1 CCNC(=O)C MCULE-7543656350 [0,1,0,0,0,0|3,0,0]=4 508 B5R0.1 CCNC(C)C MCULE-8064118469 [0,1,0,0,0,0|3,0,0]=4 509 B5R0.1 CCOC(=N)C MCULE-3060267072 [0,1,0,0,0,0|3,0,0]=4 510 B5R0.1 CCOC(=N)C MCULE-3943786182 [0,1,0,0,0,0|3,0,0]=4 511 B5R0.1 CCOC(=O)C MCULE-6628539781 [0,1,0,0,0,0|3,0,0]=4 512 B5R0.1 CCOC(=S)C MCULE-3358897597 [0,1,0,0,0,0|3,0,0]=4 513 B5R0.1 CCOC(C)C MCULE-1934548340 [0,1,0,0,0,0|3,0,0]=4 514 B5R0.1 CCOC(C)Cl MCULE-8486994638 [0,1,0,0,0,0|3,0,0]=4 515 B5R0.1 CCSC(=O)C MCULE-8015440229 [0,1,0,0,0,0|3,0,0]=4 516 B5R0.1 CCSC(=S)C MCULE-1502137460 [0,1,0,0,0,0|3,0,0]=4 517 B5R0.1 CCSC(C)C MCULE-3738251898 [0,1,0,0,0,0|3,0,0]=4 518 B5R0.1 CN(C)CC#N MCULE-7617361185 [0,1,0,0,0,0|2,0,1]=4 519 B5R0.1 CN(C)CC=O MCULE-1229218563 [0,1,0,0,0,0|1,0,2]=4 520 B5R0.1 CN(C)CC=O MCULE-3577561950 [0,1,0,0,0,0|1,0,2]=4 521 B5R0.1 CN(C)CC=O MCULE-4493766862 [0,1,0,0,0,0|1,0,2]=4 522 B5R0.1 CN(C)CC=O MCULE-8123455398 [0,1,0,0,0,0|1,0,2]=4 523 B5R0.1 CN(C)CCBr MCULE-4844398053 [0,1,0,0,0,0|2,0,0]=3 524 B5R0.1 CN(C)CCCl MCULE-4297554717 [0,1,0,0,0,0|2,0,0]=3 525 B5R0.1 CN(C)CCCl MCULE-4465544992 [0,1,0,0,0,0|2,0,0]=3 526 B5R0.1 CN(C)CCI MCULE-4687894526 [0,1,0,0,0,0|2,0,0]=3 527 B5R0.1 CN(C)CCI MCULE-7464680246 [0,1,0,0,0,0|2,0,0]=3 528 B5R0.1 CN(C)CCI MCULE-9051868668 [0,1,0,0,0,0|2,0,0]=3 529 B5R0.1 CN(C)CCN MCULE-6693759372 [0,1,0,0,0,0|2,0,0]=3 530 B5R0.1 CN(C)CCN MCULE-6929925748 [0,1,0,0,0,0|2,0,0]=3 531 B5R0.1 CN(C)CCN MCULE-7881547574 [0,1,0,0,0,0|2,0,0]=3 532 B5R0.1 CN(C)CCO MCULE-5715813465 [0,1,0,0,0,0|1,0,0]=2 533 B5R0.1 CN(C)CCO MCULE-7567469160 [0,1,0,0,0,0|1,0,0]=2 534 B5R0.1 CN(C)CCO MCULE-9024108074 [0,1,0,0,0,0|1,0,0]=2 535 B5R0.1 CN(C)CCS MCULE-4356815596 [0,1,0,0,0,0|1,1,0]=3 536 B5R0.1 CN(C)CCS MCULE-4611688723 [0,1,0,0,0,0|1,1,0]=3 537 B5R0.1 CN(C)CCS MCULE-6259585517 [0,1,0,0,0,0|1,1,0]=3 538 B5R0.1 CN(N)CCN MCULE-2782966878 [0,1,0,0,0,0|2,0,0]=3 539 B5R0.1 CNCC(=O)C MCULE-3695443024 [0,1,0,0,0,0|1,0,2]=4 540 B5R0.1 CNCC(=O)C MCULE-7402723072 [0,1,0,0,0,0|1,0,2]=4 541 B5R0.1 CNCC(=O)N MCULE-2328887394 [0,1,0,0,0,0|1,0,2]=4 542 B5R0.1 CNCC(=O)N MCULE-3031605853 [0,1,0,0,0,0|1,0,2]=4 543 B5R0.1 CNCC(=O)N MCULE-7300977677 [0,1,0,0,0,0|1,0,2]=4 544 B5R0.1 CNCC(=O)O MCULE-3448356048 [0,1,0,0,0,0|1,0,1]=3 545 B5R0.1 CNCC(=O)O MCULE-4484444573 [0,1,0,0,0,0|1,0,1]=3 546 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [0,1,0,0,0,0|1,0,2]=4 547 B5R0.1 CNCC(C)C MCULE-6582386339 [0,1,0,0,0,0|2,0,0]=3 548 B5R0.1 CNCC(C)C MCULE-6856717783 [0,1,0,0,0,0|2,0,0]=3 549 B5R0.1 CNCC(C)F MCULE-4381138647 [0,1,0,0,0,0|2,0,0]=3 550 B5R0.1 CNCC(C)F MCULE-9018181183 [0,1,0,0,0,0|2,0,0]=3 551 B5R0.1 CNCC(C)O MCULE-3671071529 [0,1,0,0,0,0|1,0,0]=2 552 B5R0.1 CNCC(C)O MCULE-4171705304 [0,1,0,0,0,0|1,0,0]=2 553 B5R0.1 CNCC(Cl)Cl MCULE-1176483469 [0,1,0,0,0,0|2,0,0]=3 554 B5R0.1 CNCC(Cl)Cl MCULE-8474434261 [0,1,0,0,0,0|2,0,0]=3 555 B5R0.1 CNCC(F)F MCULE-3004221847 [0,1,0,0,0,0|2,0,0]=3 556 B5R0.1 CNCC(F)F MCULE-5997956111 [0,1,0,0,0,0|2,0,0]=3 557 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [0,1,0,0,0,0|1,0,0]=2 558 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [0,1,0,0,0,0|1,0,0]=2 559 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [0,1,0,0,0,0|1,0,0]=2 560 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [0,1,0,0,0,0|1,0,0]=2 561 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [0,1,0,0,0,0|1,0,0]=2 562 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [0,1,0,0,0,0|1,0,0]=2 563 B5R0.1 COC=C(C)C MCULE-6348538911 [0,1,0,0,0,0|1,0,2]=4 564 B5R0.1 COCC(=N)N MCULE-4711728356 [0,1,0,0,0,0|1,0,1]=3 565 B5R0.1 COCC(=N)N MCULE-7163250467 [0,1,0,0,0,0|1,0,1]=3 566 B5R0.1 COCC(=O)C MCULE-7262197587 [0,1,0,0,0,0|0,0,2]=3 567 B5R0.1 COCC(=O)Cl MCULE-5449267495 [0,1,0,0,0,0|0,0,2]=3 568 B5R0.1 COCC(=O)N MCULE-6674958132 [0,1,0,0,0,0|0,0,2]=3 569 B5R0.1 COCC(=O)O MCULE-3945589151 [0,1,0,0,0,0|0,0,1]=2 570 B5R0.1 COCC(=S)N MCULE-2046809269 [0,1,0,0,0,0|0,1,1]=3 571 B5R0.1 COCC(C)Br MCULE-6850689931 [0,1,0,0,0,0|1,0,0]=2 572 B5R0.1 COCC(C)I MCULE-8608265714 [0,1,0,0,0,0|1,0,0]=2 573 B5R0.1 COCC(C)N MCULE-1896873634 [0,1,0,0,0,0|1,0,0]=2 574 B5R0.1 COCC(C)N MCULE-2549420211 [0,1,0,0,0,0|1,0,0]=2 575 B5R0.1 COCC(C)N MCULE-3490410444 [0,1,0,0,0,0|1,0,0]=2 576 B5R0.1 COCC(C)N MCULE-7089888882 [0,1,0,0,0,0|1,0,0]=2 577 B5R0.1 COCC(C)O MCULE-4022733014 [0,1,0,0,0,0|0,0,0]=1 578 B5R0.1 COCC(C)O MCULE-7513310960 [0,1,0,0,0,0|0,0,0]=1 579 B5R0.1 COCN(C)C MCULE-1963225930 [0,1,0,0,0,0|2,0,0]=3 580 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [0,1,0,0,0,0|1,0,0]=2 581 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [0,1,0,0,0,0|1,0,0]=2 582 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [0,1,0,0,0,0|1,0,0]=2 583 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [0,1,0,0,0,0|1,0,0]=2 584 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [0,1,0,0,0,0|0,0,0]=1 585 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [0,1,0,0,0,0|0,0,0]=1 586 B5R0.1 COC[C@H](C)N MCULE-2465679418 [0,1,0,0,0,0|1,0,0]=2 587 B5R0.1 COC[C@H](C)N MCULE-2998593539 [0,1,0,0,0,0|1,0,0]=2 588 B5R0.1 COC[C@H](C)N MCULE-3161045661 [0,1,0,0,0,0|1,0,0]=2 589 B5R0.1 COC[C@H](C)N MCULE-9550165578 [0,1,0,0,0,0|1,0,0]=2 590 B5R0.1 COC[C@H](C)O MCULE-5908531683 [0,1,0,0,0,0|0,0,0]=1 591 B5R0.1 COC[C@H](C)O MCULE-8619138238 [0,1,0,0,0,0|0,0,0]=1 592 B5R0.1 CONC(=O)C MCULE-6601866630 [0,1,0,0,0,0|1,0,2]=4 593 B5R0.1 CONC(=O)N MCULE-3063713861 [0,1,0,0,0,0|1,0,2]=4 594 B5R0.1 CONC(=S)C MCULE-1876042939 [0,1,0,0,0,0|1,1,1]=4 595 B5R0.1 CS(=O)CC#N MCULE-1246621507 [0,1,0,0,0,0|1,1,1]=4 596 B5R0.1 CS(=O)CCBr MCULE-7846126230 [0,1,0,0,0,0|1,1,0]=3 597 B5R0.1 CS(=O)CCCl MCULE-7012781505 [0,1,0,0,0,0|1,1,0]=3 598 B5R0.1 CS(=O)CCN MCULE-6497874560 [0,1,0,0,0,0|1,1,0]=3 599 B5R0.1 CS(=O)CCN MCULE-8275663766 [0,1,0,0,0,0|1,1,0]=3 600 B5R0.1 CS(=O)CCN MCULE-8330490290 [0,1,0,0,0,0|1,1,0]=3 601 B5R0.1 CS(=O)CCO MCULE-8331553582 [0,1,0,0,0,0|0,1,0]=2 602 B5R0.1 CSCC(=N)N MCULE-7800929509 [0,1,0,0,0,0|1,1,1]=4 603 B5R0.1 CSCC(=N)N MCULE-8499985777 [0,1,0,0,0,0|1,1,1]=4 604 B5R0.1 CSCC(=O)C MCULE-4131794172 [0,1,0,0,0,0|0,1,2]=4 605 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [0,1,0,0,0,0|0,1,2]=4 606 B5R0.1 CSCC(=O)N MCULE-4865579476 [0,1,0,0,0,0|0,1,2]=4 607 B5R0.1 CSCC(=O)O MCULE-7003418159 [0,1,0,0,0,0|0,1,1]=3 608 B5R0.1 CSCC(=S)N MCULE-5029100305 [0,1,0,0,0,0|0,2,1]=4 609 B5R0.1 CSCC(C)N MCULE-7985946030 [0,1,0,0,0,0|1,1,0]=3 610 B5R0.1 CSCC(C)O MCULE-2227652351 [0,1,0,0,0,0|0,1,0]=2 611 B5R0.1 CSCN(C)C MCULE-2931143051 [0,1,0,0,0,0|2,1,0]=4 612 B5R0.1 CSCS(=O)C MCULE-3167702486 [0,1,0,0,0,0|1,1,1]=4 613 B5R0.1 C[C@@H](N)CC#N MCULE-1923686728 [0,1,0,0,0,0|2,0,1]=4 614 B5R0.1 C[C@@H](N)CC#N MCULE-5694530830 [0,1,0,0,0,0|2,0,1]=4 615 B5R0.1 C[C@@H](N)CC#N MCULE-8880445785 [0,1,0,0,0,0|2,0,1]=4 616 B5R0.1 C[C@@H](N)CC#N MCULE-9410509782 [0,1,0,0,0,0|2,0,1]=4 617 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [0,1,0,0,0,0|1,0,0]=2 618 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [0,1,0,0,0,0|1,0,0]=2 619 B5R0.1 C[C@@H](O)CC#N MCULE-2879004464 [0,1,0,0,0,0|2,0,0]=3 620 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [0,1,0,0,0,0|2,0,0]=3 621 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [0,1,0,0,0,0|2,0,0]=3 622 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [0,1,0,0,0,0|2,0,0]=3 623 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [0,1,0,0,0,0|2,0,0]=3 624 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [0,1,0,0,0,0|1,0,0]=2 625 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [0,1,0,0,0,0|1,0,0]=2 626 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [0,1,0,0,0,0|1,0,0]=2 627 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [0,1,0,0,0,0|1,0,0]=2 628 B5R0.1 C[C@H](N)CC#N MCULE-1876010727 [0,1,0,0,0,0|2,0,1]=4 629 B5R0.1 C[C@H](N)CC#N MCULE-6927344020 [0,1,0,0,0,0|2,0,1]=4 630 B5R0.1 C[C@H](N)CC#N MCULE-9082410813 [0,1,0,0,0,0|2,0,1]=4 631 B5R0.1 C[C@H](N)CC#N MCULE-9498047771 [0,1,0,0,0,0|2,0,1]=4 632 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [0,1,0,0,0,0|1,0,0]=2 633 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [0,1,0,0,0,0|1,0,0]=2 634 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [0,1,0,0,0,0|1,0,0]=2 635 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [0,1,0,0,0,0|1,0,0]=2 636 B5R0.1 C[C@H](O)CC#N MCULE-1968982761 [0,1,0,0,0,0|2,0,0]=3 637 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [0,1,0,0,0,0|2,0,0]=3 638 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [0,1,0,0,0,0|2,0,0]=3 639 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [0,1,0,0,0,0|1,0,0]=2 640 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [0,1,0,0,0,0|1,0,0]=2 641 B5R0.1 C[C@H](O)CON MCULE-4216605221 [0,1,0,0,0,0|1,0,0]=2 642 B5R0.1 C[C@H](O)CON MCULE-9863094719 [0,1,0,0,0,0|1,0,0]=2 643 B5R0.1 C[NH+](C)CCBr MCULE-4990293495 [0,1,0,0,0,0|2,0,0]=3 644 B5R0.1 C[S+](C)CCCl MCULE-1305595131 [0,1,0,0,0,0|1,1,0]=3 645 B5R0.1 C[S+](C)CCCl MCULE-9761617787 [0,1,0,0,0,0|1,1,0]=3 646 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [0,1,0,0,0,0|0,1,0]=2 647 B5R0.1 N#CCC(=O)O MCULE-3440765061 [0,1,0,0,0,0|2,0,1]=4 648 B5R0.1 N=C(N)CCCl MCULE-2314996365 [0,1,0,0,0,0|3,0,0]=4 649 B5R0.1 N=C(N)CCCl MCULE-3129838313 [0,1,0,0,0,0|3,0,0]=4 650 B5R0.1 N=C(N)CCO MCULE-4567824707 [0,1,0,0,0,0|2,0,0]=3 651 B5R0.1 N=C(N)CCO MCULE-7139693715 [0,1,0,0,0,0|2,0,0]=3 652 B5R0.1 NC(=O)CCBr MCULE-3930714776 [0,1,0,0,0,0|3,0,0]=4 653 B5R0.1 NC(=O)CCCl MCULE-8300320959 [0,1,0,0,0,0|3,0,0]=4 654 B5R0.1 NC(=O)CCO MCULE-4026170350 [0,1,0,0,0,0|2,0,0]=3 655 B5R0.1 NC(=O)CCS MCULE-7451827717 [0,1,0,0,0,0|2,1,0]=4 656 B5R0.1 NC(=O)NCO MCULE-7403641101 [0,1,0,0,0,0|3,0,0]=4 657 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [0,1,0,0,0,0|3,0,0]=4 658 B5R0.1 NCCC(=O)N MCULE-2899414135 [0,1,0,0,0,0|3,0,0]=4 659 B5R0.1 NCCC(=O)N MCULE-6993286668 [0,1,0,0,0,0|3,0,0]=4 660 B5R0.1 NCCC(=O)O MCULE-1344289084 [0,1,0,0,0,0|2,0,1]=4 661 B5R0.1 NCCC(=O)O MCULE-2298605337 [0,1,0,0,0,0|2,0,1]=4 662 B5R0.1 NCCC(=O)O MCULE-9375577631 [0,1,0,0,0,0|2,0,1]=4 663 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [0,1,0,0,0,0|3,0,0]=4 664 B5R0.1 NCCC(F)F MCULE-3610134573 [0,1,0,0,0,0|3,0,0]=4 665 B5R0.1 NCCC(F)F MCULE-5561095460 [0,1,0,0,0,0|3,0,0]=4 666 B5R0.1 NCCN(=O)=O MCULE-8137427440 [0,1,0,0,0,0|3,0,0]=4 667 B5R0.1 NCCP(=O)O MCULE-7093964616 [0,1,0,0,0,0|3,0,0]=4 668 B5R0.1 NCCS(=O)O MCULE-4372248641 [0,1,0,0,0,0|2,1,0]=4 669 B5R0.1 NNCC(=O)O MCULE-4908184724 [0,1,0,0,0,0|2,0,1]=4 670 B5R0.1 NNCC(=O)O MCULE-6315598774 [0,1,0,0,0,0|2,0,1]=4 671 B5R0.1 NNCC(F)F MCULE-4290590143 [0,1,0,0,0,0|3,0,0]=4 672 B5R0.1 NNCC(F)F MCULE-8397473173 [0,1,0,0,0,0|3,0,0]=4 673 B5R0.1 NOCC(=O)O MCULE-4566186819 [0,1,0,0,0,0|1,0,1]=3 674 B5R0.1 NOCC(=O)O MCULE-4824237418 [0,1,0,0,0,0|1,0,1]=3 675 B5R0.1 NOCC(=O)O MCULE-8132180423 [0,1,0,0,0,0|1,0,1]=3 676 B5R0.1 NOCC(F)F MCULE-1860693804 [0,1,0,0,0,0|2,0,0]=3 677 B5R0.1 NOCC(F)F MCULE-2698080780 [0,1,0,0,0,0|2,0,0]=3 678 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [0,1,0,0,0,0|3,0,0]=4 679 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [0,1,0,0,0,0|3,0,0]=4 680 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [0,1,0,0,0,0|3,0,0]=4 681 B5R0.1 O=C(O)CCBr MCULE-2816055853 [0,1,0,0,0,0|2,0,1]=4 682 B5R0.1 O=C(O)CCCl MCULE-8511144183 [0,1,0,0,0,0|2,0,1]=4 683 B5R0.1 O=C(O)CCF MCULE-4382025684 [0,1,0,0,0,0|2,0,1]=4 684 B5R0.1 O=C(O)CCI MCULE-3371354708 [0,1,0,0,0,0|2,0,1]=4 685 B5R0.1 O=C(O)CCO MCULE-3428604829 [0,1,0,0,0,0|2,0,0]=3 686 B5R0.1 O=C(O)CCS MCULE-3211932163 [0,1,0,0,0,0|2,0,1]=4 687 B5R0.1 O=C(O)CNO MCULE-4437067339 [0,1,0,0,0,0|2,0,1]=4 688 B5R0.1 O=C([O-])CCO MCULE-4429611588 [0,1,0,0,0,0|2,0,0]=3 689 B5R0.1 O=N(=O)CCO MCULE-2060841405 [0,1,0,0,0,0|2,0,0]=3 690 B5R0.1 O=N(=O)CCS MCULE-4845430658 [0,1,0,0,0,0|2,1,0]=4 691 B5R0.1 OCC=C(Cl)Cl MCULE-6473037027 [0,1,0,0,0,0|2,0,1]=4 692 B5R0.1 OCCC(F)F MCULE-9207688926 [0,1,0,0,0,0|2,0,0]=3 693 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [0,1,0,0,0,0|1,0,0]=2 694 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [0,1,0,0,0,0|1,0,0]=2 695 B5R0.1 [C@H](C)(O)CC#N MCULE-6894178072 [0,1,0,0,0,0|2,0,0]=3 696 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [0,1,0,0,0,0|1,0,0]=2 697 B5R0.2 BrC/C=C/CBr MCULE-9004545331 [0,1,0,0,0,0|2,0,1]=4 698 B5R0.2 BrCC#CCBr MCULE-3414204664 [0,1,0,0,0,0|2,0,1]=4 699 B5R0.2 BrCC=CCBr MCULE-4240565660 [0,1,0,0,0,0|2,0,1]=4 700 B5R0.2 BrCCCCBr MCULE-5088378536 [0,1,0,0,0,0|2,0,0]=3 701 B5R0.2 C#CCC#CC MCULE-1607912981 [0,1,0,0,0,0|2,0,1]=4 702 B5R0.2 C#CCCC#C MCULE-9901719987 [0,1,0,0,0,0|2,0,1]=4 703 B5R0.2 C#CCCC#N MCULE-9172928565 [0,1,0,0,0,0|2,0,1]=4 704 B5R0.2 C#CCCC=C MCULE-4858099861 [0,1,0,0,0,0|2,0,1]=4 705 B5R0.2 C#CCCC=O MCULE-9994552907 [0,1,0,0,0,0|1,0,2]=4 706 B5R0.2 C#CCCCBr MCULE-3834416844 [0,1,0,0,0,0|2,0,1]=4 707 B5R0.2 C#CCCCC MCULE-5706969297 [0,1,0,0,0,0|2,0,0]=3 708 B5R0.2 C#CCCCCl MCULE-3879115419 [0,1,0,0,0,0|2,0,1]=4 709 B5R0.2 C#CCCCI MCULE-4063232871 [0,1,0,0,0,0|2,0,1]=4 710 B5R0.2 C#CCCCN MCULE-3191305523 [0,1,0,0,0,0|2,0,1]=4 711 B5R0.2 C#CCCCN MCULE-3259677872 [0,1,0,0,0,0|2,0,1]=4 712 B5R0.2 C#CCCCO MCULE-6360852809 [0,1,0,0,0,0|1,0,1]=3 713 B5R0.2 C#CCCNC MCULE-1590490287 [0,1,0,0,0,0|2,0,0]=3 714 B5R0.2 C#CCCNC MCULE-4004733974 [0,1,0,0,0,0|2,0,0]=3 715 B5R0.2 C#CCCNC MCULE-7566671614 [0,1,0,0,0,0|2,0,0]=3 716 B5R0.2 C#CCCOC MCULE-7152168835 [0,1,0,0,0,0|1,0,0]=2 717 B5R0.2 C#CCNCC MCULE-1258696824 [0,1,0,0,0,0|2,0,1]=4 718 B5R0.2 C#CCNCC MCULE-3363103527 [0,1,0,0,0,0|2,0,1]=4 719 B5R0.2 C#CCNOC MCULE-3336529831 [0,1,0,0,0,0|1,0,1]=3 720 B5R0.2 C#CCNOC MCULE-7807129420 [0,1,0,0,0,0|1,0,1]=3 721 B5R0.2 C#CCOCC MCULE-1055202735 [0,1,0,0,0,0|1,0,1]=3 722 B5R0.2 C#CCOCCl MCULE-6198656758 [0,1,0,0,0,0|1,0,1]=3 723 B5R0.2 C#CCSCC MCULE-5718021970 [0,1,0,0,0,0|1,1,1]=4 724 B5R0.2 C(=CCCl)CN MCULE-8092426171 [0,1,0,0,0,0|2,0,1]=4 725 B5R0.2 C(=CCCl)CN MCULE-9706120646 [0,1,0,0,0,0|2,0,1]=4 726 B5R0.2 C(=C\CCl)\CN MCULE-3474871402 [0,1,0,0,0,0|2,0,1]=4 727 B5R0.2 C/C=C/CC#N MCULE-3707973146 [0,1,0,0,0,0|2,0,1]=4 728 B5R0.2 C/C=C/CCC MCULE-9851656818 [0,1,0,0,0,0|2,0,0]=3 729 B5R0.2 C/C=C/CCO MCULE-3952855392 [0,1,0,0,0,0|1,0,0]=2 730 B5R0.2 C/C=C/OCC MCULE-2891896400 [0,1,0,0,0,0|1,0,2]=4 731 B5R0.2 C/C=C\CCC MCULE-1013657748 [0,1,0,0,0,0|2,0,0]=3 732 B5R0.2 C=C=CCCBr MCULE-5561919067 [0,1,0,0,0,0|2,0,1]=4 733 B5R0.2 C=C=CCCI MCULE-7583015374 [0,1,0,0,0,0|2,0,1]=4 734 B5R0.2 C=C=CCCN MCULE-5814175873 [0,1,0,0,0,0|2,0,1]=4 735 B5R0.2 C=C=CCCN MCULE-8177198091 [0,1,0,0,0,0|2,0,1]=4 736 B5R0.2 C=C=CCCO MCULE-1054355649 [0,1,0,0,0,0|1,0,1]=3 737 B5R0.2 C=CC#CCO MCULE-5199716906 [0,1,0,0,0,0|1,0,2]=4 738 B5R0.2 C=CC/C=C/C MCULE-8732875285 [0,1,0,0,0,0|2,0,1]=4 739 B5R0.2 C=CCC=CC MCULE-8643449832 [0,1,0,0,0,0|2,0,1]=4 740 B5R0.2 C=CCCC#N MCULE-8967750268 [0,1,0,0,0,0|2,0,1]=4 741 B5R0.2 C=CCCC=C MCULE-2599309974 [0,1,0,0,0,0|2,0,1]=4 742 B5R0.2 C=CCCC=O MCULE-7850336174 [0,1,0,0,0,0|1,0,2]=4 743 B5R0.2 C=CCCCBr MCULE-5027518679 [0,1,0,0,0,0|2,0,1]=4 744 B5R0.2 C=CCCCC MCULE-4750698031 [0,1,0,0,0,0|2,0,0]=3 745 B5R0.2 C=CCCCCl MCULE-3877430809 [0,1,0,0,0,0|2,0,1]=4 746 B5R0.2 C=CCCCI MCULE-8692831514 [0,1,0,0,0,0|2,0,1]=4 747 B5R0.2 C=CCCCN MCULE-5787926547 [0,1,0,0,0,0|2,0,1]=4 748 B5R0.2 C=CCCCN MCULE-7346989227 [0,1,0,0,0,0|2,0,1]=4 749 B5R0.2 C=CCCCO MCULE-5946342321 [0,1,0,0,0,0|1,0,1]=3 750 B5R0.2 C=CCCNC MCULE-2124263362 [0,1,0,0,0,0|2,0,0]=3 751 B5R0.2 C=CCCNC MCULE-5024925990 [0,1,0,0,0,0|2,0,0]=3 752 B5R0.2 C=CCCOC MCULE-4681354270 [0,1,0,0,0,0|1,0,0]=2 753 B5R0.2 C=CCCON MCULE-3476228435 [0,1,0,0,0,0|1,0,1]=3 754 B5R0.2 C=CCCON MCULE-9206052895 [0,1,0,0,0,0|1,0,1]=3 755 B5R0.2 C=CCNCC MCULE-6987567673 [0,1,0,0,0,0|2,0,1]=4 756 B5R0.2 C=CCNCC MCULE-8318544337 [0,1,0,0,0,0|2,0,1]=4 757 B5R0.2 C=CCOC=C MCULE-7085070702 [0,1,0,0,0,0|1,0,2]=4 758 B5R0.2 C=CCOC=O MCULE-4161785970 [0,1,0,0,0,0|1,0,2]=4 759 B5R0.2 C=CCOCC MCULE-4363356618 [0,1,0,0,0,0|1,0,1]=3 760 B5R0.2 C=CCOCCl MCULE-6656252526 [0,1,0,0,0,0|1,0,1]=3 761 B5R0.2 C=CCONC MCULE-4537899476 [0,1,0,0,0,0|1,0,1]=3 762 B5R0.2 C=CCONC MCULE-9645204142 [0,1,0,0,0,0|1,0,1]=3 763 B5R0.2 C=CCSCC MCULE-3816911529 [0,1,0,0,0,0|1,1,1]=4 764 B5R0.2 C=CCSSC MCULE-8417830164 [0,1,0,0,0,0|1,1,1]=4 765 B5R0.2 C=COCCC MCULE-4423853666 [0,1,0,0,0,0|1,0,1]=3 766 B5R0.2 C=COCCCl MCULE-7782311030 [0,1,0,0,0,0|1,0,1]=3 767 B5R0.2 C=COCCN MCULE-8052872924 [0,1,0,0,0,0|1,0,1]=3 768 B5R0.2 C=COCCN MCULE-8496820259 [0,1,0,0,0,0|1,0,1]=3 769 B5R0.2 C=COCCO MCULE-9383372818 [0,1,0,0,0,0|0,0,1]=2 770 B5R0.2 CC#CCC=O MCULE-6071390808 [0,1,0,0,0,0|1,0,2]=4 771 B5R0.2 CC#CCCBr MCULE-5650557113 [0,1,0,0,0,0|2,0,0]=3 772 B5R0.2 CC#CCCC MCULE-8179328151 [0,1,0,0,0,0|2,0,0]=3 773 B5R0.2 CC#CCCN MCULE-2130545109 [0,1,0,0,0,0|2,0,0]=3 774 B5R0.2 CC#CCCN MCULE-7156357315 [0,1,0,0,0,0|2,0,0]=3 775 B5R0.2 CC#CCCO MCULE-9400138491 [0,1,0,0,0,0|1,0,0]=2 776 B5R0.2 CC#CCNC MCULE-3549759323 [0,1,0,0,0,0|2,0,1]=4 777 B5R0.2 CC#CCNC MCULE-7250319597 [0,1,0,0,0,0|2,0,1]=4 778 B5R0.2 CC#CCON MCULE-6251915377 [0,1,0,0,0,0|1,0,1]=3 779 B5R0.2 CC#CCON MCULE-7089104173 [0,1,0,0,0,0|1,0,1]=3 780 B5R0.2 CC/C=C/CC MCULE-6762040186 [0,1,0,0,0,0|2,0,1]=4 781 B5R0.2 CC/C=C\CC MCULE-9418110460 [0,1,0,0,0,0|2,0,1]=4 782 B5R0.2 CC/C=C\CO MCULE-5480473249 [0,1,0,0,0,0|1,0,1]=3 783 B5R0.2 CC=CCC#N MCULE-6960681395 [0,1,0,0,0,0|2,0,1]=4 784 B5R0.2 CC=CCCBr MCULE-7329159278 [0,1,0,0,0,0|2,0,0]=3 785 B5R0.2 CC=CCCC MCULE-8736231124 [0,1,0,0,0,0|2,0,0]=3 786 B5R0.2 CC=CCCN MCULE-5129102475 [0,1,0,0,0,0|2,0,0]=3 787 B5R0.2 CC=CCCN MCULE-8500001929 [0,1,0,0,0,0|2,0,0]=3 788 B5R0.2 CC=CCCO MCULE-4302367089 [0,1,0,0,0,0|1,0,0]=2 789 B5R0.2 CC=COCC MCULE-1473170404 [0,1,0,0,0,0|1,0,2]=4 790 B5R0.2 CCC#CCBr MCULE-4725992084 [0,1,0,0,0,0|2,0,1]=4 791 B5R0.2 CCC#CCC MCULE-2027962178 [0,1,0,0,0,0|2,0,1]=4 792 B5R0.2 CCC#CCCl MCULE-7122423261 [0,1,0,0,0,0|2,0,1]=4 793 B5R0.2 CCC#CCN MCULE-8712641266 [0,1,0,0,0,0|2,0,1]=4 794 B5R0.2 CCC#CCO MCULE-8633965917 [0,1,0,0,0,0|1,0,1]=3 795 B5R0.2 CCC=CCBr MCULE-5326763881 [0,1,0,0,0,0|2,0,1]=4 796 B5R0.2 CCC=CCC MCULE-5435957422 [0,1,0,0,0,0|2,0,1]=4 797 B5R0.2 CCC=CCO MCULE-5633399984 [0,1,0,0,0,0|1,0,1]=3 798 B5R0.2 CCCC#CI MCULE-5016901652 [0,1,0,0,0,0|2,0,1]=4 799 B5R0.2 CCCC=NO MCULE-7364375780 [0,1,0,0,0,0|1,0,1]=3 800 B5R0.2 CCCCC#N MCULE-4015236167 [0,1,0,0,0,0|2,0,0]=3 801 B5R0.2 CCCCC=O MCULE-4736782822 [0,1,0,0,0,0|1,0,1]=3 802 B5R0.2 CCCCCBr MCULE-8513521912 [0,1,0,0,0,0|2,0,0]=3 803 B5R0.2 CCCCCC MCULE-3465692202 [0,1,0,0,0,0|2,0,0]=3 804 B5R0.2 CCCCCCl MCULE-4412759460 [0,1,0,0,0,0|2,0,0]=3 805 B5R0.2 CCCCCF MCULE-6399883281 [0,1,0,0,0,0|2,0,0]=3 806 B5R0.2 CCCCCI MCULE-4590300793 [0,1,0,0,0,0|2,0,0]=3 807 B5R0.2 CCCCCN MCULE-3371742982 [0,1,0,0,0,0|2,0,0]=3 808 B5R0.2 CCCCCN MCULE-4371067300 [0,1,0,0,0,0|2,0,0]=3 809 B5R0.2 CCCCCN MCULE-6547961798 [0,1,0,0,0,0|2,0,0]=3 810 B5R0.2 CCCCCN MCULE-7483248760 [0,1,0,0,0,0|2,0,0]=3 811 B5R0.2 CCCCCO MCULE-8714292632 [0,1,0,0,0,0|1,0,0]=2 812 B5R0.2 CCCCCS MCULE-5476379340 [0,1,0,0,0,0|1,1,0]=3 813 B5R0.2 CCCCNC MCULE-9321610906 [0,1,0,0,0,0|2,0,0]=3 814 B5R0.2 CCCCNN MCULE-6681305566 [0,1,0,0,0,0|2,0,0]=3 815 B5R0.2 CCCCNN MCULE-6890760890 [0,1,0,0,0,0|2,0,0]=3 816 B5R0.2 CCCCNN MCULE-7362497327 [0,1,0,0,0,0|2,0,0]=3 817 B5R0.2 CCCCNN MCULE-8463623644 [0,1,0,0,0,0|2,0,0]=3 818 B5R0.2 CCCCNO MCULE-1911206569 [0,1,0,0,0,0|1,0,0]=2 819 B5R0.2 CCCCNO MCULE-3820646216 [0,1,0,0,0,0|1,0,0]=2 820 B5R0.2 CCCCOC MCULE-9814272675 [0,1,0,0,0,0|1,0,0]=2 821 B5R0.2 CCCCON MCULE-7582349983 [0,1,0,0,0,0|1,0,0]=2 822 B5R0.2 CCCCON MCULE-8175627798 [0,1,0,0,0,0|1,0,0]=2 823 B5R0.2 CCCCSC MCULE-2799775567 [0,1,0,0,0,0|1,1,0]=3 824 B5R0.2 CCCN=C=O MCULE-9014468293 [0,1,0,0,0,0|1,0,2]=4 825 B5R0.2 CCCN=C=S MCULE-7947940355 [0,1,0,0,0,0|1,1,1]=4 826 B5R0.2 CCCNC=O MCULE-6344556391 [0,1,0,0,0,0|1,0,2]=4 827 B5R0.2 CCCNCC MCULE-7948828264 [0,1,0,0,0,0|2,0,0]=3 828 B5R0.2 CCCNCC MCULE-9107549207 [0,1,0,0,0,0|2,0,0]=3 829 B5R0.2 CCCOC=O MCULE-3133604529 [0,1,0,0,0,0|1,0,1]=3 830 B5R0.2 CCCOCBr MCULE-3585683043 [0,1,0,0,0,0|1,0,0]=2 831 B5R0.2 CCCOCC MCULE-9971916790 [0,1,0,0,0,0|1,0,0]=2 832 B5R0.2 CCCOCCl MCULE-1932627202 [0,1,0,0,0,0|1,0,0]=2 833 B5R0.2 CCCSC#N MCULE-9018157774 [0,1,0,0,0,0|1,1,1]=4 834 B5R0.2 CCCSCC MCULE-4547385568 [0,1,0,0,0,0|1,1,0]=3 835 B5R0.2 CCCSSC MCULE-3127072032 [0,1,0,0,0,0|1,1,0]=3 836 B5R0.2 CCNCC#N MCULE-8279629720 [0,1,0,0,0,0|2,0,1]=4 837 B5R0.2 CCNCCCl MCULE-2589770119 [0,1,0,0,0,0|2,0,0]=3 838 B5R0.2 CCNCCCl MCULE-3098032672 [0,1,0,0,0,0|2,0,0]=3 839 B5R0.2 CCNCCN MCULE-7854769899 [0,1,0,0,0,0|2,0,0]=3 840 B5R0.2 CCNCCO MCULE-2537734730 [0,1,0,0,0,0|1,0,0]=2 841 B5R0.2 CCNCCO MCULE-3738714907 [0,1,0,0,0,0|1,0,0]=2 842 B5R0.2 CCNNCC MCULE-4789314801 [0,1,0,0,0,0|3,0,0]=4 843 B5R0.2 CCNNCC MCULE-9060220585 [0,1,0,0,0,0|3,0,0]=4 844 B5R0.2 CCO/C=C\Br MCULE-7396084973 [0,1,0,0,0,0|1,0,2]=4 845 B5R0.2 CCOC=CBr MCULE-5241125671 [0,1,0,0,0,0|1,0,2]=4 846 B5R0.2 CCOCC#N MCULE-6709940440 [0,1,0,0,0,0|1,0,1]=3 847 B5R0.2 CCOCCBr MCULE-4818900555 [0,1,0,0,0,0|1,0,0]=2 848 B5R0.2 CCOCCCl MCULE-1290576729 [0,1,0,0,0,0|1,0,0]=2 849 B5R0.2 CCOCCI MCULE-1833092968 [0,1,0,0,0,0|1,0,0]=2 850 B5R0.2 CCOCCN MCULE-1254431240 [0,1,0,0,0,0|1,0,0]=2 851 B5R0.2 CCOCCN MCULE-4039110889 [0,1,0,0,0,0|1,0,0]=2 852 B5R0.2 CCOCCN MCULE-4400456933 [0,1,0,0,0,0|1,0,0]=2 853 B5R0.2 CCOCCO MCULE-4311513289 [0,1,0,0,0,0|0,0,0]=1 854 B5R0.2 CCOCCS MCULE-3968740645 [0,1,0,0,0,0|0,1,0]=2 855 B5R0.2 CCSCC#N MCULE-4093791055 [0,1,0,0,0,0|1,1,1]=4 856 B5R0.2 CCSCC=O MCULE-8069035019 [0,1,0,0,0,0|0,1,2]=4 857 B5R0.2 CCSCCBr MCULE-9449933342 [0,1,0,0,0,0|1,1,0]=3 858 B5R0.2 CCSCCCl MCULE-4057847237 [0,1,0,0,0,0|1,1,0]=3 859 B5R0.2 CCSCCN MCULE-3375644872 [0,1,0,0,0,0|1,1,0]=3 860 B5R0.2 CCSCCN MCULE-4466279976 [0,1,0,0,0,0|1,1,0]=3 861 B5R0.2 CCSCCO MCULE-3557086162 [0,1,0,0,0,0|0,1,0]=2 862 B5R0.2 CCSCCS MCULE-4583054157 [0,1,0,0,0,0|0,2,0]=3 863 B5R0.2 CCSSCC MCULE-7989926475 [0,1,0,0,0,0|2,1,0]=4 864 B5R0.2 CC[Se][Se]CC MCULE-2725282576 [0,1,0,0,0,0|2,1,0]=4 865 B5R0.2 CNCCC#N MCULE-6686234290 [0,1,0,0,0,0|2,0,0]=3 866 B5R0.2 CNCCCBr MCULE-3376600253 [0,1,0,0,0,0|2,0,0]=3 867 B5R0.2 CNCCCBr MCULE-6212326106 [0,1,0,0,0,0|2,0,0]=3 868 B5R0.2 CNCCCCl MCULE-1007719210 [0,1,0,0,0,0|2,0,0]=3 869 B5R0.2 CNCCCCl MCULE-6146901643 [0,1,0,0,0,0|2,0,0]=3 870 B5R0.2 CNCCCF MCULE-7647417887 [0,1,0,0,0,0|2,0,0]=3 871 B5R0.2 CNCCCN MCULE-1736081896 [0,1,0,0,0,0|2,0,0]=3 872 B5R0.2 CNCCCO MCULE-9530478547 [0,1,0,0,0,0|1,0,0]=2 873 B5R0.2 CNCCNC MCULE-1378979868 [0,1,0,0,0,0|2,0,0]=3 874 B5R0.2 CNCCNC MCULE-3281508478 [0,1,0,0,0,0|2,0,0]=3 875 B5R0.2 CNCCOC MCULE-2857904484 [0,1,0,0,0,0|1,0,0]=2 876 B5R0.2 CNCCOC MCULE-5342712496 [0,1,0,0,0,0|1,0,0]=2 877 B5R0.2 CNCCSC MCULE-2812984399 [0,1,0,0,0,0|1,1,0]=3 878 B5R0.2 CNCCSC MCULE-2942435951 [0,1,0,0,0,0|1,1,0]=3 879 B5R0.2 CNOCCN MCULE-3163962093 [0,1,0,0,0,0|1,0,0]=2 880 B5R0.2 CNOCCN MCULE-7379538500 [0,1,0,0,0,0|1,0,0]=2 881 B5R0.2 COC=CC#N MCULE-4212629233 [0,1,0,0,0,0|1,0,2]=4 882 B5R0.2 COCCC#N MCULE-3009737584 [0,1,0,0,0,0|1,0,0]=2 883 B5R0.2 COCCC=O MCULE-2812117208 [0,1,0,0,0,0|0,0,1]=2 884 B5R0.2 COCCCBr MCULE-6489536401 [0,1,0,0,0,0|1,0,0]=2 885 B5R0.2 COCCCCl MCULE-9192274624 [0,1,0,0,0,0|1,0,0]=2 886 B5R0.2 COCCCF MCULE-5055725246 [0,1,0,0,0,0|1,0,0]=2 887 B5R0.2 COCCCI MCULE-9111605439 [0,1,0,0,0,0|1,0,0]=2 888 B5R0.2 COCCCN MCULE-1421362990 [0,1,0,0,0,0|1,0,0]=2 889 B5R0.2 COCCCN MCULE-4783132205 [0,1,0,0,0,0|1,0,0]=2 890 B5R0.2 COCCCO MCULE-4041418048 [0,1,0,0,0,0|0,0,0]=1 891 B5R0.2 COCCCS MCULE-2371333731 [0,1,0,0,0,0|0,1,0]=2 892 B5R0.2 COCCNN MCULE-2086510453 [0,1,0,0,0,0|1,0,0]=2 893 B5R0.2 COCCNN MCULE-4830987822 [0,1,0,0,0,0|1,0,0]=2 894 B5R0.2 COCCNN MCULE-8361975855 [0,1,0,0,0,0|1,0,0]=2 895 B5R0.2 COCCOC MCULE-7572196731 [0,1,0,0,0,0|0,0,0]=1 896 B5R0.2 COCCON MCULE-3507489398 [0,1,0,0,0,0|0,0,0]=1 897 B5R0.2 COCCON MCULE-8506879697 [0,1,0,0,0,0|0,0,0]=1 898 B5R0.2 COCCSC MCULE-5362054021 [0,1,0,0,0,0|0,1,0]=2 899 B5R0.2 COCN=C=O MCULE-6951734265 [0,1,0,0,0,0|0,0,2]=3 900 B5R0.2 COCN=C=S MCULE-8646619442 [0,1,0,0,0,0|0,1,1]=3 901 B5R0.2 CONCCN MCULE-3332727097 [0,1,0,0,0,0|1,0,0]=2 902 B5R0.2 CONCCN MCULE-5066538639 [0,1,0,0,0,0|1,0,0]=2 903 B5R0.2 CONCCO MCULE-9787830121 [0,1,0,0,0,0|0,0,0]=1 904 B5R0.2 CSCCC#N MCULE-5755086116 [0,1,0,0,0,0|1,1,0]=3 905 B5R0.2 CSCCC=O MCULE-6273241704 [0,1,0,0,0,0|0,1,1]=3 906 B5R0.2 CSCCCBr MCULE-8399851816 [0,1,0,0,0,0|1,1,0]=3 907 B5R0.2 CSCCCCl MCULE-1829120476 [0,1,0,0,0,0|1,1,0]=3 908 B5R0.2 CSCCCN MCULE-1030938424 [0,1,0,0,0,0|1,1,0]=3 909 B5R0.2 CSCCCN MCULE-4664984921 [0,1,0,0,0,0|1,1,0]=3 910 B5R0.2 CSCCCO MCULE-9232413185 [0,1,0,0,0,0|0,1,0]=2 911 B5R0.2 CSCCCS MCULE-8405766359 [0,1,0,0,0,0|0,2,0]=3 912 B5R0.2 CSCCON MCULE-9125601960 [0,1,0,0,0,0|0,1,0]=2 913 B5R0.2 CSSCCN MCULE-7065189564 [0,1,0,0,0,0|1,1,0]=3 914 B5R0.2 CSSCCN MCULE-8654200268 [0,1,0,0,0,0|1,1,0]=3 915 B5R0.2 ClC/C=C/CCl MCULE-3586653669 [0,1,0,0,0,0|2,0,1]=4 916 B5R0.2 ClC/C=C\CCl MCULE-9193094097 [0,1,0,0,0,0|2,0,1]=4 917 B5R0.2 ClCC#CCCl MCULE-6432554678 [0,1,0,0,0,0|2,0,1]=4 918 B5R0.2 ClCC=CCCl MCULE-9190878082 [0,1,0,0,0,0|2,0,1]=4 919 B5R0.2 ClCCCCBr MCULE-7973194927 [0,1,0,0,0,0|2,0,0]=3 920 B5R0.2 ClCCCCCl MCULE-4863501782 [0,1,0,0,0,0|2,0,0]=3 921 B5R0.2 ClCCCCI MCULE-4303507089 [0,1,0,0,0,0|2,0,0]=3 922 B5R0.2 ClCCOCCl MCULE-7585684590 [0,1,0,0,0,0|1,0,0]=2 923 B5R0.2 ClCOCCBr MCULE-6843473950 [0,1,0,0,0,0|1,0,0]=2 924 B5R0.2 FCCCCBr MCULE-8408956872 [0,1,0,0,0,0|2,0,0]=3 925 B5R0.2 FCCCCF MCULE-1347438150 [0,1,0,0,0,0|2,0,0]=3 926 B5R0.2 FCCN=C=S MCULE-4106769677 [0,1,0,0,0,0|2,0,1]=4 927 B5R0.2 ICCCCI MCULE-1390457250 [0,1,0,0,0,0|2,0,0]=3 928 B5R0.2 N#CCCC#N MCULE-5570794181 [0,1,0,0,0,0|3,0,0]=4 929 B5R0.2 N#CCCC=O MCULE-9521735106 [0,1,0,0,0,0|2,0,1]=4 930 B5R0.2 N#CCCCBr MCULE-2664469446 [0,1,0,0,0,0|2,0,1]=4 931 B5R0.2 N#CCCCCl MCULE-3310172135 [0,1,0,0,0,0|2,0,1]=4 932 B5R0.2 N#CCCCF MCULE-3514322336 [0,1,0,0,0,0|2,0,1]=4 933 B5R0.2 N#CCCCI MCULE-7661529037 [0,1,0,0,0,0|2,0,1]=4 934 B5R0.2 N#CCCCN MCULE-7159177087 [0,1,0,0,0,0|2,0,1]=4 935 B5R0.2 N#CCCCN MCULE-8406710235 [0,1,0,0,0,0|2,0,1]=4 936 B5R0.2 N#CCCCO MCULE-2108386837 [0,1,0,0,0,0|1,0,1]=3 937 B5R0.2 N#CCCNN MCULE-2873114425 [0,1,0,0,0,0|3,0,0]=4 938 B5R0.2 N#CCCON MCULE-4242787851 [0,1,0,0,0,0|2,0,0]=3 939 B5R0.2 N#CCCON MCULE-9943219810 [0,1,0,0,0,0|2,0,0]=3 940 B5R0.2 N#CCOC=O MCULE-4453241991 [0,1,0,0,0,0|1,0,2]=4 941 B5R0.2 N#CSCCCl MCULE-1181766006 [0,1,0,0,0,0|1,1,1]=4 942 B5R0.2 N#N=NCCBr MCULE-5285576727 [0,1,0,0,0,0|3,0,0]=4 943 B5R0.2 N#N=NCCCl MCULE-2902338750 [0,1,0,0,0,0|3,0,0]=4 944 B5R0.2 N#N=NCCF MCULE-8153375666 [0,1,0,0,0,0|3,0,0]=4 945 B5R0.2 N#N=NCCI MCULE-6126000950 [0,1,0,0,0,0|3,0,0]=4 946 B5R0.2 N#N=NCCN MCULE-2129393630 [0,1,0,0,0,0|3,0,0]=4 947 B5R0.2 N#N=NCCN MCULE-2260153271 [0,1,0,0,0,0|3,0,0]=4 948 B5R0.2 N#N=NCCO MCULE-6147827656 [0,1,0,0,0,0|2,0,0]=3 949 B5R0.2 NC/C=C/CN MCULE-3194321905 [0,1,0,0,0,0|2,0,1]=4 950 B5R0.2 NC/C=C/CN MCULE-8357316852 [0,1,0,0,0,0|2,0,1]=4 951 B5R0.2 NC/C=C\CCl MCULE-7895966955 [0,1,0,0,0,0|2,0,1]=4 952 B5R0.2 NC/C=C\CN MCULE-6310541400 [0,1,0,0,0,0|2,0,1]=4 953 B5R0.2 NC/C=C\CN MCULE-8765736519 [0,1,0,0,0,0|2,0,1]=4 954 B5R0.2 NCC#CCCl MCULE-3774554520 [0,1,0,0,0,0|2,0,1]=4 955 B5R0.2 NCC#CCCl MCULE-3851000158 [0,1,0,0,0,0|2,0,1]=4 956 B5R0.2 NCC#CCN MCULE-2193445650 [0,1,0,0,0,0|2,0,1]=4 957 B5R0.2 NCC#CCN MCULE-6401411060 [0,1,0,0,0,0|2,0,1]=4 958 B5R0.2 NCC#CCO MCULE-4844677613 [0,1,0,0,0,0|1,0,1]=3 959 B5R0.2 NCC#CCO MCULE-9095239812 [0,1,0,0,0,0|1,0,1]=3 960 B5R0.2 NCC=CCN MCULE-3768809289 [0,1,0,0,0,0|2,0,1]=4 961 B5R0.2 NCC=CCN MCULE-4004493343 [0,1,0,0,0,0|2,0,1]=4 962 B5R0.2 NCC=CCN MCULE-6780035248 [0,1,0,0,0,0|2,0,1]=4 963 B5R0.2 NCC=CCO MCULE-4993379992 [0,1,0,0,0,0|1,0,1]=3 964 B5R0.2 NCCCCBr MCULE-7095299053 [0,1,0,0,0,0|2,0,0]=3 965 B5R0.2 NCCCCBr MCULE-7716027825 [0,1,0,0,0,0|2,0,0]=3 966 B5R0.2 NCCCCCl MCULE-8484381726 [0,1,0,0,0,0|2,0,0]=3 967 B5R0.2 NCCCCCl MCULE-9917306082 [0,1,0,0,0,0|2,0,0]=3 968 B5R0.2 NCCCCF MCULE-4260727945 [0,1,0,0,0,0|2,0,0]=3 969 B5R0.2 NCCCCF MCULE-7716720921 [0,1,0,0,0,0|2,0,0]=3 970 B5R0.2 NCCCCN MCULE-3098044935 [0,1,0,0,0,0|2,0,0]=3 971 B5R0.2 NCCCCN MCULE-7898833229 [0,1,0,0,0,0|2,0,0]=3 972 B5R0.2 NCCCCN MCULE-8029479697 [0,1,0,0,0,0|2,0,0]=3 973 B5R0.2 NCCCCN MCULE-8509656776 [0,1,0,0,0,0|2,0,0]=3 974 B5R0.2 NCCCCO MCULE-7395674091 [0,1,0,0,0,0|1,0,0]=2 975 B5R0.2 NCCCCS MCULE-4353910418 [0,1,0,0,0,0|1,1,0]=3 976 B5R0.2 NCCCCS MCULE-9812416858 [0,1,0,0,0,0|1,1,0]=3 977 B5R0.2 NCCCNN MCULE-7657257572 [0,1,0,0,0,0|3,0,0]=4 978 B5R0.2 NCCCON MCULE-1071170242 [0,1,0,0,0,0|2,0,0]=3 979 B5R0.2 NCCCON MCULE-7767315563 [0,1,0,0,0,0|2,0,0]=3 980 B5R0.2 NNCCCO MCULE-5557482626 [0,1,0,0,0,0|2,0,0]=3 981 B5R0.2 NNCCCO MCULE-7351853032 [0,1,0,0,0,0|2,0,0]=3 982 B5R0.2 NNCCCO MCULE-7919314403 [0,1,0,0,0,0|2,0,0]=3 983 B5R0.2 NOC/C=C/Cl MCULE-3781481075 [0,1,0,0,0,0|2,0,1]=4 984 B5R0.2 NOC/C=C/Cl MCULE-8874475488 [0,1,0,0,0,0|2,0,1]=4 985 B5R0.2 NOCC=CCl MCULE-5233830243 [0,1,0,0,0,0|2,0,1]=4 986 B5R0.2 NOCC=CCl MCULE-7677577759 [0,1,0,0,0,0|2,0,1]=4 987 B5R0.2 NOCCCO MCULE-1072312935 [0,1,0,0,0,0|1,0,0]=2 988 B5R0.2 NOCCCO MCULE-3715520109 [0,1,0,0,0,0|1,0,0]=2 989 B5R0.2 NOCCCS MCULE-2063976508 [0,1,0,0,0,0|1,1,0]=3 990 B5R0.2 NOCCCS MCULE-3464018652 [0,1,0,0,0,0|1,1,0]=3 991 B5R0.2 NOCCON MCULE-2027662613 [0,1,0,0,0,0|1,0,0]=2 992 B5R0.2 NOCCON MCULE-3458073239 [0,1,0,0,0,0|1,0,0]=2 993 B5R0.2 O=C=NCCBr MCULE-9707894644 [0,1,0,0,0,0|2,0,1]=4 994 B5R0.2 O=C=NCCCl MCULE-8919918461 [0,1,0,0,0,0|2,0,1]=4 995 B5R0.2 O=CCCC=O MCULE-3362810468 [0,1,0,0,0,0|2,0,1]=4 996 B5R0.2 O=CCCC=O MCULE-3813951568 [0,1,0,0,0,0|2,0,1]=4 997 B5R0.2 O=CCCCBr MCULE-7239613396 [0,1,0,0,0,0|1,0,2]=4 998 B5R0.2 O=CCCCCl MCULE-3011225716 [0,1,0,0,0,0|1,0,2]=4 999 B5R0.2 O=CCCCI MCULE-3153720790 [0,1,0,0,0,0|1,0,2]=4 1000 B5R0.2 O=CCCCO MCULE-8728420992 [0,1,0,0,0,0|1,0,1]=3 1001 B5R0.2 O=CNCCO MCULE-3688614090 [0,1,0,0,0,0|1,0,1]=3 1002 B5R0.2 O=COCCO MCULE-1922672843 [0,1,0,0,0,0|0,0,1]=2 1003 B5R0.2 OC/C=C/CCl MCULE-4378785113 [0,1,0,0,0,0|1,0,1]=3 1004 B5R0.2 OC/C=C/CO MCULE-4752272005 [0,1,0,0,0,0|1,0,1]=3 1005 B5R0.2 OC/C=C\CO MCULE-2695577582 [0,1,0,0,0,0|1,0,1]=3 1006 B5R0.2 OC=CCCBr MCULE-3964604828 [0,1,0,0,0,0|1,0,2]=4 1007 B5R0.2 OC=CCCBr MCULE-5728835735 [0,1,0,0,0,0|1,0,2]=4 1008 B5R0.2 OCC#CCBr MCULE-1662147427 [0,1,0,0,0,0|1,0,1]=3 1009 B5R0.2 OCC#CCCl MCULE-9445494949 [0,1,0,0,0,0|1,0,1]=3 1010 B5R0.2 OCC#CCO MCULE-2650636766 [0,1,0,0,0,0|1,0,1]=3 1011 B5R0.2 OCC=CCCl MCULE-7597942117 [0,1,0,0,0,0|1,0,1]=3 1012 B5R0.2 OCC=CCO MCULE-9559211408 [0,1,0,0,0,0|1,0,1]=3 1013 B5R0.2 OCCCCBr MCULE-9231591925 [0,1,0,0,0,0|1,0,0]=2 1014 B5R0.2 OCCCCCl MCULE-3507644812 [0,1,0,0,0,0|1,0,0]=2 1015 B5R0.2 OCCCCF MCULE-9242285588 [0,1,0,0,0,0|1,0,0]=2 1016 B5R0.2 OCCCCI MCULE-8723720522 [0,1,0,0,0,0|1,0,0]=2 1017 B5R0.2 OCCCCO MCULE-2010022287 [0,1,0,0,0,0|1,0,0]=2 1018 B5R0.2 OCCCCO MCULE-6551106098 [0,1,0,0,0,0|1,0,0]=2 1019 B5R0.2 OCCCCS MCULE-8169490949 [0,1,0,0,0,0|1,0,0]=2 1020 B5R0.2 OCCNCO MCULE-2141033453 [0,1,0,0,0,0|1,0,0]=2 1021 B5R0.2 S=C=NCCBr MCULE-9583896675 [0,1,0,0,0,0|2,0,1]=4 1022 B5R0.2 S=C=NCCCl MCULE-3919932972 [0,1,0,0,0,0|2,0,1]=4 1023 B5R0.2 SCCCCS MCULE-6695609899 [0,1,0,0,0,0|1,1,0]=3 1024 B5R0.3 BrCC(Br)CBr MCULE-7323713039 [0,1,0,0,0,0|3,0,0]=4 1025 B5R0.3 C#CC(=O)OC MCULE-5108326717 [0,1,0,0,0,0|1,0,2]=4 1026 B5R0.3 C#CC(C)NC MCULE-6738130869 [0,1,0,0,0,0|2,0,1]=4 1027 B5R0.3 C#CC(C)OC MCULE-3702592933 [0,1,0,0,0,0|1,0,1]=3 1028 B5R0.3 C#CC(C)OC MCULE-3806443816 [0,1,0,0,0,0|1,0,1]=3 1029 B5R0.3 C#CC(N)CC MCULE-2327605941 [0,1,0,0,0,0|2,0,1]=4 1030 B5R0.3 C#CC(N)CC MCULE-3572771620 [0,1,0,0,0,0|2,0,1]=4 1031 B5R0.3 C#CC(N)CO MCULE-2442851523 [0,1,0,0,0,0|1,0,1]=3 1032 B5R0.3 C#CC(N)CO MCULE-3866086926 [0,1,0,0,0,0|1,0,1]=3 1033 B5R0.3 C#CC(O)CC MCULE-9890863731 [0,1,0,0,0,0|2,0,1]=4 1034 B5R0.3 C#C[C@H](C)OC MCULE-9002531152 [0,1,0,0,0,0|1,0,1]=3 1035 B5R0.3 C#C[C@H](N)CO MCULE-2312982984 [0,1,0,0,0,0|1,0,1]=3 1036 B5R0.3 C#C[C@H](N)CO MCULE-8124038281 [0,1,0,0,0,0|1,0,1]=3 1037 B5R0.3 C#C[C@H](N)CO MCULE-8753140181 [0,1,0,0,0,0|1,0,1]=3 1038 B5R0.3 C#C[C@H](N)CO MCULE-9874393436 [0,1,0,0,0,0|1,0,1]=3 1039 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [0,1,0,0,0,0|2,0,1]=4 1040 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [0,1,0,0,0,0|2,0,1]=4 1041 B5R0.3 C=C(C#N)CO MCULE-4330549804 [0,1,0,0,0,0|2,0,1]=4 1042 B5R0.3 C=C(CC)CBr MCULE-1652422688 [0,1,0,0,0,0|2,0,1]=4 1043 B5R0.3 C=C(CC)CC MCULE-9174509622 [0,1,0,0,0,0|2,0,1]=4 1044 B5R0.3 C=C(CC)CN MCULE-2269385026 [0,1,0,0,0,0|2,0,1]=4 1045 B5R0.3 C=C(CC)CN MCULE-3033447984 [0,1,0,0,0,0|2,0,1]=4 1046 B5R0.3 C=C(CC)CO MCULE-8127766352 [0,1,0,0,0,0|1,0,1]=3 1047 B5R0.3 C=C(CO)CBr MCULE-9563589949 [0,1,0,0,0,0|2,0,1]=4 1048 B5R0.3 C=C(CO)CO MCULE-2682601949 [0,1,0,0,0,0|2,0,1]=4 1049 B5R0.3 C=CC(=O)OC MCULE-6010665978 [0,1,0,0,0,0|1,0,2]=4 1050 B5R0.3 C=CC(C)CC MCULE-8112547661 [0,1,0,0,0,0|2,0,1]=4 1051 B5R0.3 C=CC(C)NC MCULE-1929679074 [0,1,0,0,0,0|2,0,1]=4 1052 B5R0.3 C=CC(C)NC MCULE-6382339452 [0,1,0,0,0,0|2,0,1]=4 1053 B5R0.3 C=CC(C)ON MCULE-2385478473 [0,1,0,0,0,0|2,0,1]=4 1054 B5R0.3 C=CC(C)ON MCULE-3428023923 [0,1,0,0,0,0|2,0,1]=4 1055 B5R0.3 C=CC(Cl)CCl MCULE-8000466907 [0,1,0,0,0,0|2,0,1]=4 1056 B5R0.3 C=CC(N)CC MCULE-6270835453 [0,1,0,0,0,0|2,0,1]=4 1057 B5R0.3 C=CC(N)CC MCULE-7920121163 [0,1,0,0,0,0|2,0,1]=4 1058 B5R0.3 C=CC(N)CO MCULE-2457433196 [0,1,0,0,0,0|1,0,1]=3 1059 B5R0.3 C=CC(N)CO MCULE-6697949182 [0,1,0,0,0,0|1,0,1]=3 1060 B5R0.3 C=CC(N)CO MCULE-7137123222 [0,1,0,0,0,0|1,0,1]=3 1061 B5R0.3 C=CC(N)CO MCULE-8388687355 [0,1,0,0,0,0|1,0,1]=3 1062 B5R0.3 C=CC(O)CBr MCULE-3538023814 [0,1,0,0,0,0|2,0,1]=4 1063 B5R0.3 C=CC(O)CC MCULE-2794806228 [0,1,0,0,0,0|2,0,1]=4 1064 B5R0.3 C=CC(O)CN MCULE-3472823475 [0,1,0,0,0,0|2,0,1]=4 1065 B5R0.3 C=CC(O)CO MCULE-6172654550 [0,1,0,0,0,0|1,0,1]=3 1066 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [0,1,0,0,0,0|1,0,1]=3 1067 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [0,1,0,0,0,0|1,0,1]=3 1068 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [0,1,0,0,0,0|1,0,1]=3 1069 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [0,1,0,0,0,0|1,0,1]=3 1070 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [0,1,0,0,0,0|1,0,1]=3 1071 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [0,1,0,0,0,0|1,0,1]=3 1072 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [0,1,0,0,0,0|1,0,1]=3 1073 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [0,1,0,0,0,0|1,0,1]=3 1074 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [0,1,0,0,0,0|1,0,1]=3 1075 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [0,1,0,0,0,0|1,0,1]=3 1076 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [0,1,0,0,0,0|1,0,1]=3 1077 B5R0.3 CC(=CI)CO MCULE-8491569199 [0,1,0,0,0,0|2,0,1]=4 1078 B5R0.3 CC(C#N)CCl MCULE-9290621020 [0,1,0,0,0,0|3,0,0]=4 1079 B5R0.3 CC(C#N)CN MCULE-8151367276 [0,1,0,0,0,0|3,0,0]=4 1080 B5R0.3 CC(C#N)CO MCULE-1644391554 [0,1,0,0,0,0|2,0,0]=3 1081 B5R0.3 CC(CBr)CBr MCULE-7586113999 [0,1,0,0,0,0|3,0,0]=4 1082 B5R0.3 CC(CCl)CBr MCULE-5101754687 [0,1,0,0,0,0|3,0,0]=4 1083 B5R0.3 CC(CCl)CCl MCULE-1169456620 [0,1,0,0,0,0|3,0,0]=4 1084 B5R0.3 CC(CI)CI MCULE-4568725580 [0,1,0,0,0,0|3,0,0]=4 1085 B5R0.3 CC(CN)CCl MCULE-2423692318 [0,1,0,0,0,0|3,0,0]=4 1086 B5R0.3 CC(CN)CCl MCULE-8419541212 [0,1,0,0,0,0|3,0,0]=4 1087 B5R0.3 CC(CN)CN MCULE-1464804013 [0,1,0,0,0,0|3,0,0]=4 1088 B5R0.3 CC(CN)CN MCULE-3273307813 [0,1,0,0,0,0|3,0,0]=4 1089 B5R0.3 CC(CN)CO MCULE-5880795484 [0,1,0,0,0,0|2,0,0]=3 1090 B5R0.3 CC(CN)CO MCULE-8083007887 [0,1,0,0,0,0|2,0,0]=3 1091 B5R0.3 CC(CO)CBr MCULE-3815333295 [0,1,0,0,0,0|2,0,0]=3 1092 B5R0.3 CC(CO)CBr MCULE-5695891877 [0,1,0,0,0,0|2,0,0]=3 1093 B5R0.3 CC(CO)CO MCULE-2340730326 [0,1,0,0,0,0|2,0,0]=3 1094 B5R0.3 CC(CO)CS MCULE-1990992504 [0,1,0,0,0,0|2,0,0]=3 1095 B5R0.3 CC(CO)NN MCULE-3362748538 [0,1,0,0,0,0|2,0,0]=3 1096 B5R0.3 CC(CO)NN MCULE-4440318216 [0,1,0,0,0,0|2,0,0]=3 1097 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [0,1,0,0,0,0|2,0,1]=4 1098 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [0,1,0,0,0,0|2,0,1]=4 1099 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [0,1,0,0,0,0|2,0,1]=4 1100 B5R0.3 CC=C(C)CC MCULE-5790494157 [0,1,0,0,0,0|2,0,1]=4 1101 B5R0.3 CC=C(C)CCl MCULE-2444762050 [0,1,0,0,0,0|2,0,1]=4 1102 B5R0.3 CCC(=N)OC MCULE-4123543795 [0,1,0,0,0,0|1,0,1]=3 1103 B5R0.3 CCC(=N)OC MCULE-5346320805 [0,1,0,0,0,0|1,0,1]=3 1104 B5R0.3 CCC(=NO)C MCULE-1859652505 [0,1,0,0,0,0|2,0,1]=4 1105 B5R0.3 CCC(=O)CBr MCULE-7825573294 [0,1,0,0,0,0|2,0,1]=4 1106 B5R0.3 CCC(=O)CC MCULE-8236549739 [0,1,0,0,0,0|2,0,1]=4 1107 B5R0.3 CCC(=O)CCl MCULE-9019890380 [0,1,0,0,0,0|2,0,1]=4 1108 B5R0.3 CCC(=O)CN MCULE-1863418812 [0,1,0,0,0,0|2,0,1]=4 1109 B5R0.3 CCC(=O)CN MCULE-5831164340 [0,1,0,0,0,0|2,0,1]=4 1110 B5R0.3 CCC(=O)CO MCULE-8674894820 [0,1,0,0,0,0|1,0,1]=3 1111 B5R0.3 CCC(=O)NC MCULE-5612060170 [0,1,0,0,0,0|2,0,1]=4 1112 B5R0.3 CCC(=O)NO MCULE-1033164448 [0,1,0,0,0,0|2,0,1]=4 1113 B5R0.3 CCC(=O)OC MCULE-7384824725 [0,1,0,0,0,0|1,0,1]=3 1114 B5R0.3 CCC(=O)SC MCULE-9712192191 [0,1,0,0,0,0|1,1,1]=4 1115 B5R0.3 CCC(Br)C#N MCULE-4015907163 [0,1,0,0,0,0|2,0,1]=4 1116 B5R0.3 CCC(Br)C=O MCULE-3064952987 [0,1,0,0,0,0|1,0,2]=4 1117 B5R0.3 CCC(Br)CBr MCULE-5254958560 [0,1,0,0,0,0|2,0,0]=3 1118 B5R0.3 CCC(Br)CC MCULE-7435628721 [0,1,0,0,0,0|2,0,0]=3 1119 B5R0.3 CCC(Br)CO MCULE-7211805716 [0,1,0,0,0,0|1,0,0]=2 1120 B5R0.3 CCC(C)C#N MCULE-6204122967 [0,1,0,0,0,0|2,0,1]=4 1121 B5R0.3 CCC(C)C=O MCULE-2523669899 [0,1,0,0,0,0|1,0,2]=4 1122 B5R0.3 CCC(C)CBr MCULE-5451416952 [0,1,0,0,0,0|2,0,0]=3 1123 B5R0.3 CCC(C)CC MCULE-2542807917 [0,1,0,0,0,0|2,0,0]=3 1124 B5R0.3 CCC(C)CCl MCULE-7450386476 [0,1,0,0,0,0|2,0,0]=3 1125 B5R0.3 CCC(C)CI MCULE-5444509280 [0,1,0,0,0,0|2,0,0]=3 1126 B5R0.3 CCC(C)CN MCULE-2777327284 [0,1,0,0,0,0|2,0,0]=3 1127 B5R0.3 CCC(C)CN MCULE-7014901600 [0,1,0,0,0,0|2,0,0]=3 1128 B5R0.3 CCC(C)CO MCULE-6521026296 [0,1,0,0,0,0|1,0,0]=2 1129 B5R0.3 CCC(C)CS MCULE-7795095685 [0,1,0,0,0,0|1,1,0]=3 1130 B5R0.3 CCC(C)NC MCULE-2676584804 [0,1,0,0,0,0|2,0,0]=3 1131 B5R0.3 CCC(C)NC MCULE-6158046887 [0,1,0,0,0,0|2,0,0]=3 1132 B5R0.3 CCC(C)NN MCULE-6074476998 [0,1,0,0,0,0|3,0,0]=4 1133 B5R0.3 CCC(C)NN MCULE-8130021960 [0,1,0,0,0,0|3,0,0]=4 1134 B5R0.3 CCC(C)NN MCULE-8519369369 [0,1,0,0,0,0|3,0,0]=4 1135 B5R0.3 CCC(C)NO MCULE-1247092627 [0,1,0,0,0,0|2,0,0]=3 1136 B5R0.3 CCC(C)NO MCULE-6169819668 [0,1,0,0,0,0|2,0,0]=3 1137 B5R0.3 CCC(C)OC MCULE-7354431606 [0,1,0,0,0,0|1,0,0]=2 1138 B5R0.3 CCC(C)ON MCULE-2907890438 [0,1,0,0,0,0|2,0,0]=3 1139 B5R0.3 CCC(C)ON MCULE-4364205813 [0,1,0,0,0,0|2,0,0]=3 1140 B5R0.3 CCC(Cl)C#N MCULE-7185233128 [0,1,0,0,0,0|2,0,1]=4 1141 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [0,1,0,0,0,0|1,0,2]=4 1142 B5R0.3 CCC(Cl)CCl MCULE-5122022797 [0,1,0,0,0,0|2,0,0]=3 1143 B5R0.3 CCC(Cl)CO MCULE-1756262629 [0,1,0,0,0,0|1,0,0]=2 1144 B5R0.3 CCC(F)CBr MCULE-3226052264 [0,1,0,0,0,0|2,0,0]=3 1145 B5R0.3 CCC(F)CN MCULE-1291385596 [0,1,0,0,0,0|2,0,0]=3 1146 B5R0.3 CCC(F)CN MCULE-7421331323 [0,1,0,0,0,0|2,0,0]=3 1147 B5R0.3 CCC(I)CC MCULE-1119844552 [0,1,0,0,0,0|2,0,0]=3 1148 B5R0.3 CCC(N)C#N MCULE-1350483203 [0,1,0,0,0,0|2,0,1]=4 1149 B5R0.3 CCC(N)C#N MCULE-3867024162 [0,1,0,0,0,0|2,0,1]=4 1150 B5R0.3 CCC(N)CBr MCULE-3567691924 [0,1,0,0,0,0|2,0,0]=3 1151 B5R0.3 CCC(N)CC MCULE-4261937519 [0,1,0,0,0,0|2,0,0]=3 1152 B5R0.3 CCC(N)CC MCULE-5899128891 [0,1,0,0,0,0|2,0,0]=3 1153 B5R0.3 CCC(N)CN MCULE-6911484065 [0,1,0,0,0,0|2,0,0]=3 1154 B5R0.3 CCC(N)CN MCULE-8376506697 [0,1,0,0,0,0|2,0,0]=3 1155 B5R0.3 CCC(N)CO MCULE-1135809021 [0,1,0,0,0,0|1,0,0]=2 1156 B5R0.3 CCC(N)CO MCULE-7588854111 [0,1,0,0,0,0|1,0,0]=2 1157 B5R0.3 CCC(O)C#N MCULE-5389816542 [0,1,0,0,0,0|2,0,1]=4 1158 B5R0.3 CCC(O)CBr MCULE-4205031860 [0,1,0,0,0,0|2,0,0]=3 1159 B5R0.3 CCC(O)CC MCULE-5553645045 [0,1,0,0,0,0|2,0,0]=3 1160 B5R0.3 CCC(O)CCl MCULE-8359810208 [0,1,0,0,0,0|2,0,0]=3 1161 B5R0.3 CCC(O)CN MCULE-5197026448 [0,1,0,0,0,0|2,0,0]=3 1162 B5R0.3 CCC(O)CO MCULE-2488753438 [0,1,0,0,0,0|1,0,0]=2 1163 B5R0.3 CCC(O)CO MCULE-7297282094 [0,1,0,0,0,0|1,0,0]=2 1164 B5R0.3 CCC(S)CC MCULE-2556259434 [0,1,0,0,0,0|2,0,0]=3 1165 B5R0.3 CCC(S)CS MCULE-9332449950 [0,1,0,0,0,0|1,1,0]=3 1166 B5R0.3 CCC([NH3+])CBr MCULE-6971158198 [0,1,0,0,0,0|2,0,0]=3 1167 B5R0.3 CCN(C)CC MCULE-7207964917 [0,1,0,0,0,0|3,0,0]=4 1168 B5R0.3 CCN(N)CC MCULE-9853386945 [0,1,0,0,0,0|3,0,0]=4 1169 B5R0.3 CCN(N)CC MCULE-9962617398 [0,1,0,0,0,0|3,0,0]=4 1170 B5R0.3 CCN(O)CC MCULE-6022935768 [0,1,0,0,0,0|3,0,0]=4 1171 B5R0.3 CCP(=O)CC MCULE-2216184595 [0,1,0,0,0,0|3,0,0]=4 1172 B5R0.3 CCP(Cl)CC MCULE-4484529264 [0,1,0,0,0,0|3,0,0]=4 1173 B5R0.3 CCS(=O)CC MCULE-5102735179 [0,1,0,0,0,0|3,0,0]=4 1174 B5R0.3 CC[C@@H](C)CBr MCULE-5675886072 [0,1,0,0,0,0|2,0,0]=3 1175 B5R0.3 CC[C@@H](C)CN MCULE-7612408107 [0,1,0,0,0,0|2,0,0]=3 1176 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [0,1,0,0,0,0|1,0,0]=2 1177 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [0,1,0,0,0,0|1,0,0]=2 1178 B5R0.3 CC[C@@H](N)C#N MCULE-3696119254 [0,1,0,0,0,0|2,0,1]=4 1179 B5R0.3 CC[C@@H](N)C#N MCULE-5586041766 [0,1,0,0,0,0|2,0,1]=4 1180 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [0,1,0,0,0,0|1,0,0]=2 1181 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [0,1,0,0,0,0|1,0,0]=2 1182 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [0,1,0,0,0,0|2,0,0]=3 1183 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [0,1,0,0,0,0|2,0,0]=3 1184 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [0,1,0,0,0,0|1,0,0]=2 1185 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [0,1,0,0,0,0|1,0,0]=2 1186 B5R0.3 CC[C@H](C)C#N MCULE-9118306872 [0,1,0,0,0,0|2,0,1]=4 1187 B5R0.3 CC[C@H](C)CBr MCULE-3263714447 [0,1,0,0,0,0|2,0,0]=3 1188 B5R0.3 CC[C@H](C)CBr MCULE-3384648570 [0,1,0,0,0,0|2,0,0]=3 1189 B5R0.3 CC[C@H](C)CCl MCULE-6795758745 [0,1,0,0,0,0|2,0,0]=3 1190 B5R0.3 CC[C@H](C)CCl MCULE-8147276830 [0,1,0,0,0,0|2,0,0]=3 1191 B5R0.3 CC[C@H](C)CI MCULE-9690776923 [0,1,0,0,0,0|2,0,0]=3 1192 B5R0.3 CC[C@H](C)CN MCULE-1380819951 [0,1,0,0,0,0|2,0,0]=3 1193 B5R0.3 CC[C@H](C)CN MCULE-1396096112 [0,1,0,0,0,0|2,0,0]=3 1194 B5R0.3 CC[C@H](C)CN MCULE-2971933862 [0,1,0,0,0,0|2,0,0]=3 1195 B5R0.3 CC[C@H](C)CN MCULE-3698084674 [0,1,0,0,0,0|2,0,0]=3 1196 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [0,1,0,0,0,0|1,0,0]=2 1197 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [0,1,0,0,0,0|1,0,0]=2 1198 B5R0.3 CC[C@H](N)C#N MCULE-4431283179 [0,1,0,0,0,0|2,0,1]=4 1199 B5R0.3 CC[C@H](N)C#N MCULE-8842235277 [0,1,0,0,0,0|2,0,1]=4 1200 B5R0.3 CC[C@H](N)CF MCULE-3646304583 [0,1,0,0,0,0|2,0,0]=3 1201 B5R0.3 CC[C@H](N)CF MCULE-4493834638 [0,1,0,0,0,0|2,0,0]=3 1202 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [0,1,0,0,0,0|1,0,0]=2 1203 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [0,1,0,0,0,0|1,0,0]=2 1204 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [0,1,0,0,0,0|2,0,0]=3 1205 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [0,1,0,0,0,0|1,0,0]=2 1206 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [0,1,0,0,0,0|1,0,0]=2 1207 B5R0.3 CNC(=N)CO MCULE-3239749882 [0,1,0,0,0,0|1,0,1]=3 1208 B5R0.3 CNC(=O)CBr MCULE-1439209307 [0,1,0,0,0,0|2,0,1]=4 1209 B5R0.3 CNC(=O)CCl MCULE-1437904095 [0,1,0,0,0,0|2,0,1]=4 1210 B5R0.3 CNC(=O)CI MCULE-1687694185 [0,1,0,0,0,0|2,0,1]=4 1211 B5R0.3 CNC(=O)CN MCULE-1901033297 [0,1,0,0,0,0|2,0,1]=4 1212 B5R0.3 CNC(=O)CN MCULE-8532774234 [0,1,0,0,0,0|2,0,1]=4 1213 B5R0.3 CNC(=O)CO MCULE-5899226107 [0,1,0,0,0,0|1,0,1]=3 1214 B5R0.3 CNC(=O)CS MCULE-7032391129 [0,1,0,0,0,0|1,1,1]=4 1215 B5R0.3 CNC(=O)OC MCULE-1162861376 [0,1,0,0,0,0|2,0,1]=4 1216 B5R0.3 CNC(C)C#N MCULE-6126262950 [0,1,0,0,0,0|2,0,1]=4 1217 B5R0.3 CNC(C)C#N MCULE-8508083404 [0,1,0,0,0,0|2,0,1]=4 1218 B5R0.3 CNC(C)CN MCULE-1599162912 [0,1,0,0,0,0|2,0,0]=3 1219 B5R0.3 CNC(C)CN MCULE-1637391260 [0,1,0,0,0,0|2,0,0]=3 1220 B5R0.3 CNC(C)CO MCULE-3841057780 [0,1,0,0,0,0|1,0,0]=2 1221 B5R0.3 CNC(C)CO MCULE-6474892275 [0,1,0,0,0,0|1,0,0]=2 1222 B5R0.3 CN[C@@H](C)CO MCULE-1633741835 [0,1,0,0,0,0|1,0,0]=2 1223 B5R0.3 CN[C@@H](C)CO MCULE-6736108875 [0,1,0,0,0,0|1,0,0]=2 1224 B5R0.3 CN[C@@H](C)CO MCULE-7554801630 [0,1,0,0,0,0|1,0,0]=2 1225 B5R0.3 CN[C@@H](C)CO MCULE-9312521497 [0,1,0,0,0,0|1,0,0]=2 1226 B5R0.3 CN[C@H](C)CO MCULE-2402322400 [0,1,0,0,0,0|1,0,0]=2 1227 B5R0.3 CN[C@H](C)CO MCULE-4362091386 [0,1,0,0,0,0|1,0,0]=2 1228 B5R0.3 CN[C@H](C)CO MCULE-5426855707 [0,1,0,0,0,0|1,0,0]=2 1229 B5R0.3 CN[C@H](C)CO MCULE-9777995604 [0,1,0,0,0,0|1,0,0]=2 1230 B5R0.3 COC(=N)CCl MCULE-2713131753 [0,1,0,0,0,0|1,0,1]=3 1231 B5R0.3 COC(=N)CCl MCULE-6471252676 [0,1,0,0,0,0|1,0,1]=3 1232 B5R0.3 COC(=O)C#N MCULE-8762838190 [0,1,0,0,0,0|1,0,2]=4 1233 B5R0.3 COC(=O)C=O MCULE-2685327079 [0,1,0,0,0,0|0,0,3]=4 1234 B5R0.3 COC(=O)CBr MCULE-2684954408 [0,1,0,0,0,0|1,0,1]=3 1235 B5R0.3 COC(=O)CCl MCULE-5886832940 [0,1,0,0,0,0|1,0,1]=3 1236 B5R0.3 COC(=O)CF MCULE-4367430175 [0,1,0,0,0,0|1,0,1]=3 1237 B5R0.3 COC(=O)CI MCULE-9545584156 [0,1,0,0,0,0|1,0,1]=3 1238 B5R0.3 COC(=O)CN MCULE-7462799100 [0,1,0,0,0,0|1,0,1]=3 1239 B5R0.3 COC(=O)CN MCULE-8887061469 [0,1,0,0,0,0|1,0,1]=3 1240 B5R0.3 COC(=O)CO MCULE-8734582763 [0,1,0,0,0,0|0,0,1]=2 1241 B5R0.3 COC(=O)CS MCULE-3020830180 [0,1,0,0,0,0|0,1,1]=3 1242 B5R0.3 COC(=O)NN MCULE-2637794839 [0,1,0,0,0,0|2,0,1]=4 1243 B5R0.3 COC(=O)OC MCULE-7488725621 [0,1,0,0,0,0|2,0,1]=4 1244 B5R0.3 COC(=O)SCl MCULE-1018411491 [0,1,0,0,0,0|2,0,1]=4 1245 B5R0.3 COC(=S)NN MCULE-8717505617 [0,1,0,0,0,0|2,0,1]=4 1246 B5R0.3 COC(=S)SC MCULE-7665194168 [0,1,0,0,0,0|2,0,1]=4 1247 B5R0.3 COC(C)C#N MCULE-7716445717 [0,1,0,0,0,0|1,0,1]=3 1248 B5R0.3 COC(C)CBr MCULE-6831960550 [0,1,0,0,0,0|1,0,0]=2 1249 B5R0.3 COC(C)CCl MCULE-6614968111 [0,1,0,0,0,0|1,0,0]=2 1250 B5R0.3 COC(C)CI MCULE-9561627722 [0,1,0,0,0,0|1,0,0]=2 1251 B5R0.3 COC(C)CN MCULE-1378513525 [0,1,0,0,0,0|1,0,0]=2 1252 B5R0.3 COC(C)CN MCULE-6114730248 [0,1,0,0,0,0|1,0,0]=2 1253 B5R0.3 COC(C)CN MCULE-7516064224 [0,1,0,0,0,0|1,0,0]=2 1254 B5R0.3 COC(C)CN MCULE-8277408054 [0,1,0,0,0,0|1,0,0]=2 1255 B5R0.3 COC(C)CO MCULE-5269990702 [0,1,0,0,0,0|0,0,0]=1 1256 B5R0.3 COC(C)CO MCULE-7173093332 [0,1,0,0,0,0|0,0,0]=1 1257 B5R0.3 COC(C)OC MCULE-8241616143 [0,1,0,0,0,0|2,0,0]=3 1258 B5R0.3 CON(C)C=O MCULE-6743121315 [0,1,0,0,0,0|1,0,2]=4 1259 B5R0.3 COS(=O)OC MCULE-9352053920 [0,1,0,0,0,0|3,0,0]=4 1260 B5R0.3 CO[C@@H](C)C#N MCULE-1453263443 [0,1,0,0,0,0|1,0,1]=3 1261 B5R0.3 CO[C@@H](C)CN MCULE-1448950160 [0,1,0,0,0,0|1,0,0]=2 1262 B5R0.3 CO[C@@H](C)CN MCULE-3784073249 [0,1,0,0,0,0|1,0,0]=2 1263 B5R0.3 CO[C@@H](C)CN MCULE-6073633931 [0,1,0,0,0,0|1,0,0]=2 1264 B5R0.3 CO[C@@H](C)CN MCULE-9516756218 [0,1,0,0,0,0|1,0,0]=2 1265 B5R0.3 CO[C@@H](C)CO MCULE-5600457791 [0,1,0,0,0,0|0,0,0]=1 1266 B5R0.3 CO[C@@H](C)CO MCULE-7981152382 [0,1,0,0,0,0|0,0,0]=1 1267 B5R0.3 CO[C@H](C)CN MCULE-4143562009 [0,1,0,0,0,0|1,0,0]=2 1268 B5R0.3 CO[C@H](C)CN MCULE-4184510827 [0,1,0,0,0,0|1,0,0]=2 1269 B5R0.3 CO[C@H](C)CN MCULE-9625722424 [0,1,0,0,0,0|1,0,0]=2 1270 B5R0.3 CO[C@H](C)CN MCULE-9882567615 [0,1,0,0,0,0|1,0,0]=2 1271 B5R0.3 CO[C@H](C)CO MCULE-4211976708 [0,1,0,0,0,0|0,0,0]=1 1272 B5R0.3 CO[C@H](C)CO MCULE-7592020348 [0,1,0,0,0,0|0,0,0]=1 1273 B5R0.3 CS/C(=N/O)/C MCULE-8496912522 [0,1,0,0,0,0|1,1,1]=4 1274 B5R0.3 CSC(=NO)C MCULE-1500524467 [0,1,0,0,0,0|1,1,1]=4 1275 B5R0.3 CSC(C)CN MCULE-8841622109 [0,1,0,0,0,0|1,1,0]=3 1276 B5R0.3 CSC(C)CO MCULE-4646435737 [0,1,0,0,0,0|0,1,0]=2 1277 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [0,1,0,0,0,0|2,0,0]=3 1278 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [0,1,0,0,0,0|2,0,0]=3 1279 B5R0.3 C[C@@H](CO)CBr MCULE-3691541800 [0,1,0,0,0,0|2,0,0]=3 1280 B5R0.3 C[C@@H](CO)CBr MCULE-4447849056 [0,1,0,0,0,0|2,0,0]=3 1281 B5R0.3 C[C@H](CO)CBr MCULE-4031825779 [0,1,0,0,0,0|2,0,0]=3 1282 B5R0.3 C[C@H](CO)CBr MCULE-6846167456 [0,1,0,0,0,0|2,0,0]=3 1283 B5R0.3 ClCC(Br)CBr MCULE-2454576835 [0,1,0,0,0,0|3,0,0]=4 1284 B5R0.3 ClCC(Cl)CCl MCULE-3839333809 [0,1,0,0,0,0|3,0,0]=4 1285 B5R0.3 FCC(Br)CBr MCULE-3296621964 [0,1,0,0,0,0|3,0,0]=4 1286 B5R0.3 FCC(Cl)CF MCULE-6083002482 [0,1,0,0,0,0|3,0,0]=4 1287 B5R0.3 FCC(I)CF MCULE-1837926612 [0,1,0,0,0,0|3,0,0]=4 1288 B5R0.3 N#CC(Br)CBr MCULE-2310311576 [0,1,0,0,0,0|3,0,0]=4 1289 B5R0.3 N#CC(Cl)CCl MCULE-2637194973 [0,1,0,0,0,0|3,0,0]=4 1290 B5R0.3 N#CC(N)CO MCULE-5918855868 [0,1,0,0,0,0|2,0,0]=3 1291 B5R0.3 N#CC(N)CO MCULE-8439000158 [0,1,0,0,0,0|2,0,0]=3 1292 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [0,1,0,0,0,0|2,0,1]=4 1293 B5R0.3 NC(CF)CF MCULE-4671221738 [0,1,0,0,0,0|3,0,0]=4 1294 B5R0.3 NC(CF)CF MCULE-8916274721 [0,1,0,0,0,0|3,0,0]=4 1295 B5R0.3 NC(CO)CF MCULE-3756808200 [0,1,0,0,0,0|2,0,0]=3 1296 B5R0.3 NC(CO)CF MCULE-9468719402 [0,1,0,0,0,0|2,0,0]=3 1297 B5R0.3 NC(CO)CO MCULE-1559988016 [0,1,0,0,0,0|2,0,0]=3 1298 B5R0.3 NC(CO)CO MCULE-4954119952 [0,1,0,0,0,0|2,0,0]=3 1299 B5R0.3 NCC(Br)CBr MCULE-4507622045 [0,1,0,0,0,0|3,0,0]=4 1300 B5R0.3 NCC(Br)CBr MCULE-9707598399 [0,1,0,0,0,0|3,0,0]=4 1301 B5R0.3 NCC(F)CN MCULE-8855486562 [0,1,0,0,0,0|3,0,0]=4 1302 B5R0.3 NCC(F)CO MCULE-6156319956 [0,1,0,0,0,0|2,0,0]=3 1303 B5R0.3 NCC(F)CO MCULE-7472307328 [0,1,0,0,0,0|2,0,0]=3 1304 B5R0.3 NCC(O)CCl MCULE-1566349721 [0,1,0,0,0,0|3,0,0]=4 1305 B5R0.3 NCC(O)CCl MCULE-3532626994 [0,1,0,0,0,0|3,0,0]=4 1306 B5R0.3 NCC(O)CCl MCULE-5045913208 [0,1,0,0,0,0|3,0,0]=4 1307 B5R0.3 NCC(O)CCl MCULE-7168455596 [0,1,0,0,0,0|3,0,0]=4 1308 B5R0.3 NCC(O)CF MCULE-7529777116 [0,1,0,0,0,0|3,0,0]=4 1309 B5R0.3 NCC(O)CF MCULE-8092861019 [0,1,0,0,0,0|3,0,0]=4 1310 B5R0.3 NCC(O)CN MCULE-4689186078 [0,1,0,0,0,0|3,0,0]=4 1311 B5R0.3 NCC(O)CO MCULE-2689763818 [0,1,0,0,0,0|2,0,0]=3 1312 B5R0.3 NCC(O)CO MCULE-6096620010 [0,1,0,0,0,0|2,0,0]=3 1313 B5R0.3 NCC(O)CO MCULE-7307777212 [0,1,0,0,0,0|2,0,0]=3 1314 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [0,1,0,0,0,0|2,0,0]=3 1315 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [0,1,0,0,0,0|2,0,0]=3 1316 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [0,1,0,0,0,0|2,0,0]=3 1317 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [0,1,0,0,0,0|2,0,0]=3 1318 B5R0.3 NC[C@@H](O)CCl MCULE-1905964392 [0,1,0,0,0,0|3,0,0]=4 1319 B5R0.3 NC[C@@H](O)CCl MCULE-5592096864 [0,1,0,0,0,0|3,0,0]=4 1320 B5R0.3 NC[C@@H](O)CCl MCULE-5723497450 [0,1,0,0,0,0|3,0,0]=4 1321 B5R0.3 NC[C@@H](O)CCl MCULE-7112738263 [0,1,0,0,0,0|3,0,0]=4 1322 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [0,1,0,0,0,0|2,0,0]=3 1323 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [0,1,0,0,0,0|2,0,0]=3 1324 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [0,1,0,0,0,0|2,0,0]=3 1325 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [0,1,0,0,0,0|2,0,0]=3 1326 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [0,1,0,0,0,0|2,0,0]=3 1327 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [0,1,0,0,0,0|2,0,0]=3 1328 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [0,1,0,0,0,0|2,0,0]=3 1329 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [0,1,0,0,0,0|2,0,0]=3 1330 B5R0.3 NC[C@H](O)CBr MCULE-4679771824 [0,1,0,0,0,0|3,0,0]=4 1331 B5R0.3 NC[C@H](O)CBr MCULE-4785059460 [0,1,0,0,0,0|3,0,0]=4 1332 B5R0.3 NC[C@H](O)CCl MCULE-3625478007 [0,1,0,0,0,0|3,0,0]=4 1333 B5R0.3 NC[C@H](O)CCl MCULE-6692503791 [0,1,0,0,0,0|3,0,0]=4 1334 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [0,1,0,0,0,0|2,0,0]=3 1335 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [0,1,0,0,0,0|2,0,0]=3 1336 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [0,1,0,0,0,0|2,0,0]=3 1337 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [0,1,0,0,0,0|2,0,0]=3 1338 B5R0.3 NNC(=O)CO MCULE-8443636349 [0,1,0,0,0,0|2,0,1]=4 1339 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [0,1,0,0,0,0|2,0,0]=3 1340 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [0,1,0,0,0,0|2,0,0]=3 1341 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [0,1,0,0,0,0|2,0,0]=3 1342 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [0,1,0,0,0,0|2,0,0]=3 1343 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [0,1,0,0,0,0|2,0,0]=3 1344 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [0,1,0,0,0,0|2,0,0]=3 1345 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [0,1,0,0,0,0|2,0,0]=3 1346 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [0,1,0,0,0,0|2,0,0]=3 1347 B5R0.3 O=C(CO)CO MCULE-7188810449 [0,1,0,0,0,0|2,0,1]=4 1348 B5R0.3 O=CC(=O)CO MCULE-7273475675 [0,1,0,0,0,0|2,0,1]=4 1349 B5R0.3 O=CC(O)CO MCULE-9581740191 [0,1,0,0,0,0|2,0,0]=3 1350 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [0,1,0,0,0,0|2,0,0]=3 1351 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [0,1,0,0,0,0|2,0,0]=3 1352 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [0,1,0,0,0,0|2,0,0]=3 1353 B5R0.3 OC(CBr)CBr MCULE-9071238259 [0,1,0,0,0,0|3,0,0]=4 1354 B5R0.3 OC(CCl)CBr MCULE-3844020597 [0,1,0,0,0,0|3,0,0]=4 1355 B5R0.3 OC(CCl)CCl MCULE-7873018520 [0,1,0,0,0,0|3,0,0]=4 1356 B5R0.3 OC(CCl)CI MCULE-3276637880 [0,1,0,0,0,0|3,0,0]=4 1357 B5R0.3 OC(CF)CBr MCULE-3915880352 [0,1,0,0,0,0|3,0,0]=4 1358 B5R0.3 OC(CF)CCl MCULE-6441743377 [0,1,0,0,0,0|3,0,0]=4 1359 B5R0.3 OC(CF)CF MCULE-3360341794 [0,1,0,0,0,0|3,0,0]=4 1360 B5R0.3 OC(CI)CI MCULE-6842895270 [0,1,0,0,0,0|3,0,0]=4 1361 B5R0.3 OCC(Br)CBr MCULE-9616107956 [0,1,0,0,0,0|2,0,0]=3 1362 B5R0.3 OCC(Br)CO MCULE-9272628834 [0,1,0,0,0,0|2,0,0]=3 1363 B5R0.3 OCC(Cl)CCl MCULE-2120585852 [0,1,0,0,0,0|2,0,0]=3 1364 B5R0.3 OCC(Cl)CO MCULE-7487945326 [0,1,0,0,0,0|2,0,0]=3 1365 B5R0.3 OCC(F)CBr MCULE-2889937576 [0,1,0,0,0,0|2,0,0]=3 1366 B5R0.3 OCC(F)CO MCULE-2970537690 [0,1,0,0,0,0|2,0,0]=3 1367 B5R0.3 OCC(O)CBr MCULE-9116190245 [0,1,0,0,0,0|2,0,0]=3 1368 B5R0.3 OCC(O)CCl MCULE-7895191088 [0,1,0,0,0,0|2,0,0]=3 1369 B5R0.3 OCC(O)CCl MCULE-8992242488 [0,1,0,0,0,0|2,0,0]=3 1370 B5R0.3 OCC(O)CF MCULE-3575952891 [0,1,0,0,0,0|2,0,0]=3 1371 B5R0.3 OCC(O)CF MCULE-8981430411 [0,1,0,0,0,0|2,0,0]=3 1372 B5R0.3 OCC(O)CI MCULE-6705992930 [0,1,0,0,0,0|2,0,0]=3 1373 B5R0.3 OCC(O)CO MCULE-6349111826 [0,1,0,0,0,0|2,0,0]=3 1374 B5R0.3 OCC(O)CS MCULE-6300188207 [0,1,0,0,0,0|2,0,0]=3 1375 B5R0.3 OCC(S)CS MCULE-9735516119 [0,1,0,0,0,0|2,0,0]=3 1376 B5R0.3 OC[C@@H](O)CCl MCULE-1311776512 [0,1,0,0,0,0|2,0,0]=3 1377 B5R0.3 OC[C@@H](O)CCl MCULE-2685107404 [0,1,0,0,0,0|2,0,0]=3 1378 B5R0.3 OC[C@@H](O)CF MCULE-3274443966 [0,1,0,0,0,0|2,0,0]=3 1379 B5R0.3 OC[C@@H](O)CF MCULE-5908395855 [0,1,0,0,0,0|2,0,0]=3 1380 B5R0.3 OC[C@H](O)CBr MCULE-5035020863 [0,1,0,0,0,0|2,0,0]=3 1381 B5R0.3 OC[C@H](O)CCl MCULE-2098232262 [0,1,0,0,0,0|2,0,0]=3 1382 B5R0.3 OC[C@H](O)CCl MCULE-5801605349 [0,1,0,0,0,0|2,0,0]=3 1383 B5R0.3 OC[C@H](O)CF MCULE-3309672397 [0,1,0,0,0,0|2,0,0]=3 1384 B5R0.3 OC[C@H](O)CF MCULE-7695783253 [0,1,0,0,0,0|2,0,0]=3 1385 B5R0.3 O[C@@H](CCl)CI MCULE-5324720097 [0,1,0,0,0,0|3,0,0]=4 1386 B5R0.3 O[C@H](CCl)CI MCULE-2790157830 [0,1,0,0,0,0|3,0,0]=4 1387 B5R0.3 P(=O)(OC)OC MCULE-7918891029 [0,1,0,0,0,0|3,0,0]=4 1388 B5R0.3 [C@H](O)(CN)CCl MCULE-1220791610 [0,1,0,0,0,0|3,0,0]=4 1389 B5R0.3 [C@H](O)(CN)CCl MCULE-4106901858 [0,1,0,0,0,0|3,0,0]=4 1390 B5R1.1 B1CCOO1 MCULE-4859234466 [0,0,0,1,0,0|2,0,0]=3 1391 B5R1.1 C1=CCCC1 MCULE-8785635218 [0,0,0,1,0,0|2,0,1]=4 1392 B5R1.1 C1=CCNC1 MCULE-4645888757 [0,0,0,1,0,0|2,0,1]=4 1393 B5R1.1 C1=CCNC1 MCULE-7386427096 [0,0,0,1,0,0|2,0,1]=4 1394 B5R1.1 C1=CCOC1 MCULE-1252378718 [0,0,0,1,0,0|1,0,1]=3 1395 B5R1.1 C1=CCSC1 MCULE-7848219599 [0,0,0,1,0,0|1,1,1]=4 1396 B5R1.1 C1=COCC1 MCULE-7714726225 [0,0,0,1,0,0|1,0,1]=3 1397 B5R1.1 C1=NCCN1 MCULE-6281004177 [0,0,0,1,0,0|2,0,1]=4 1398 B5R1.1 C1=NNCC1 MCULE-2270087414 [0,0,0,1,0,0|3,0,0]=4 1399 B5R1.1 C1CCNC1 MCULE-2816679267 [0,0,0,1,0,0|2,0,0]=3 1400 B5R1.1 C1CCNC1 MCULE-8439725600 [0,0,0,1,0,0|2,0,0]=3 1401 B5R1.1 C1CCNC1 MCULE-8653165010 [0,0,0,1,0,0|2,0,0]=3 1402 B5R1.1 C1CCNC1 MCULE-9053007443 [0,0,0,1,0,0|2,0,0]=3 1403 B5R1.1 C1CCOC1 MCULE-3873245085 [0,0,0,1,0,0|1,0,0]=2 1404 B5R1.1 C1CCSC1 MCULE-4519380555 [0,0,0,1,0,0|1,1,0]=3 1405 B5R1.1 C1CNCN1 MCULE-6666768806 [0,0,0,1,0,0|2,0,0]=3 1406 B5R1.1 C1CNNC1 MCULE-9192384720 [0,0,0,1,0,0|3,0,0]=4 1407 B5R1.1 C1CNNC1 MCULE-9418244562 [0,0,0,1,0,0|3,0,0]=4 1408 B5R1.1 C1CNOC1 MCULE-3922840312 [0,0,0,1,0,0|2,0,0]=3 1409 B5R1.1 C1CNOC1 MCULE-6084499894 [0,0,0,1,0,0|2,0,0]=3 1410 B5R1.1 C1COCN1 MCULE-4693733872 [0,0,0,1,0,0|1,0,0]=2 1411 B5R1.1 C1COCO1 MCULE-3967810235 [0,0,0,1,0,0|0,0,0]=1 1412 B5R1.1 C1CSCN1 MCULE-1445529876 [0,0,0,1,0,0|1,1,0]=3 1413 B5R1.1 C1CSCN1 MCULE-8646299838 [0,0,0,1,0,0|1,1,0]=3 1414 B5R1.1 C1CSCS1 MCULE-2954642463 [0,0,0,1,0,0|0,2,0]=3 1415 B5R1.2 BrC1=CCC1 MCULE-7839710306 [0,0,0,1,0,0|3,0,0]=4 1416 B5R1.2 BrC1CCC1 MCULE-3713567804 [0,0,0,1,0,0|2,0,0]=3 1417 B5R1.2 BrC1CNC1 MCULE-4959282437 [0,0,0,1,0,0|2,0,0]=3 1418 B5R1.2 BrC1CNC1 MCULE-5635086924 [0,0,0,1,0,0|2,0,0]=3 1419 B5R1.2 BrC1CNC1 MCULE-7561312043 [0,0,0,1,0,0|2,0,0]=3 1420 B5R1.2 BrC1COC1 MCULE-7527620035 [0,0,0,1,0,0|1,0,0]=2 1421 B5R1.2 C=C1CCC1 MCULE-8318650413 [0,0,0,1,0,0|2,0,1]=4 1422 B5R1.2 C=C1CNC1 MCULE-1391021267 [0,0,0,1,0,0|2,0,1]=4 1423 B5R1.2 C=C1CNC1 MCULE-7957953185 [0,0,0,1,0,0|2,0,1]=4 1424 B5R1.2 C=C1COC1 MCULE-1822645869 [0,0,0,1,0,0|1,0,1]=3 1425 B5R1.2 CC1CCN1 MCULE-7952714343 [0,0,0,1,0,0|2,0,0]=3 1426 B5R1.2 CC1CCN1 MCULE-9084374728 [0,0,0,1,0,0|2,0,0]=3 1427 B5R1.2 CC1CNC1 MCULE-3977066574 [0,0,0,1,0,0|2,0,0]=3 1428 B5R1.2 CC1CNC1 MCULE-7868611457 [0,0,0,1,0,0|2,0,0]=3 1429 B5R1.2 C[C@@H]1CCN1 MCULE-1326888606 [0,0,0,1,0,0|2,0,0]=3 1430 B5R1.2 C[C@@H]1CCN1 MCULE-4242598105 [0,0,0,1,0,0|2,0,0]=3 1431 B5R1.2 C[C@@H]1CCN1 MCULE-7982357684 [0,0,0,1,0,0|2,0,0]=3 1432 B5R1.2 C[C@@H]1CCN1 MCULE-9443505478 [0,0,0,1,0,0|2,0,0]=3 1433 B5R1.2 C[C@H]1CCN1 MCULE-3178162849 [0,0,0,1,0,0|2,0,0]=3 1434 B5R1.2 C[C@H]1CCN1 MCULE-4001397038 [0,0,0,1,0,0|2,0,0]=3 1435 B5R1.2 C[C@H]1CCN1 MCULE-4361200248 [0,0,0,1,0,0|2,0,0]=3 1436 B5R1.2 C[C@H]1CCN1 MCULE-6534579029 [0,0,0,1,0,0|2,0,0]=3 1437 B5R1.2 ClC1CCC1 MCULE-2602937313 [0,0,0,1,0,0|2,0,0]=3 1438 B5R1.2 ClC1CNC1 MCULE-2051705029 [0,0,0,1,0,0|2,0,0]=3 1439 B5R1.2 ClC1CNC1 MCULE-6678325694 [0,0,0,1,0,0|2,0,0]=3 1440 B5R1.2 ClC1COC1 MCULE-7266812470 [0,0,0,1,0,0|1,0,0]=2 1441 B5R1.2 FC1CNC1 MCULE-5746598794 [0,0,0,1,0,0|2,0,0]=3 1442 B5R1.2 FC1CNC1 MCULE-9427948721 [0,0,0,1,0,0|2,0,0]=3 1443 B5R1.2 FC1COC1 MCULE-7899811313 [0,0,0,1,0,0|1,0,0]=2 1444 B5R1.2 IC1CCC1 MCULE-3890796264 [0,0,0,1,0,0|2,0,0]=3 1445 B5R1.2 IC1CNC1 MCULE-5957681014 [0,0,0,1,0,0|2,0,0]=3 1446 B5R1.2 IC1CNC1 MCULE-7396587981 [0,0,0,1,0,0|2,0,0]=3 1447 B5R1.2 IC1COC1 MCULE-6736781201 [0,0,0,1,0,0|1,0,0]=2 1448 B5R1.2 NC1CCC1 MCULE-7511834789 [0,0,0,1,0,0|2,0,0]=3 1449 B5R1.2 NC1CCC1 MCULE-9118406840 [0,0,0,1,0,0|2,0,0]=3 1450 B5R1.2 NC1CNC1 MCULE-3069271350 [0,0,0,1,0,0|2,0,0]=3 1451 B5R1.2 NC1CNC1 MCULE-4785323807 [0,0,0,1,0,0|2,0,0]=3 1452 B5R1.2 NC1COC1 MCULE-3457998413 [0,0,0,1,0,0|1,0,0]=2 1453 B5R1.2 NC1COC1 MCULE-8439862131 [0,0,0,1,0,0|1,0,0]=2 1454 B5R1.2 NC1CSC1 MCULE-8155396913 [0,0,0,1,0,0|1,1,0]=3 1455 B5R1.2 NC1CSC1 MCULE-8463545676 [0,0,0,1,0,0|1,1,0]=3 1456 B5R1.2 NC1CSC1 MCULE-8920812656 [0,0,0,1,0,0|1,1,0]=3 1457 B5R1.2 NN1CCC1 MCULE-8176731673 [0,0,0,1,0,0|3,0,0]=4 1458 B5R1.2 NN1CCC1 MCULE-8382619719 [0,0,0,1,0,0|3,0,0]=4 1459 B5R1.2 O=C1CCC1 MCULE-4870967355 [0,0,0,1,0,0|1,0,2]=4 1460 B5R1.2 O=C1CCN1 MCULE-9053067221 [0,0,0,1,0,0|3,0,0]=4 1461 B5R1.2 O=C1CCO1 MCULE-1277069147 [0,0,0,1,0,0|2,0,0]=3 1462 B5R1.2 O=C1CNC1 MCULE-5171659870 [0,0,0,1,0,0|1,0,2]=4 1463 B5R1.2 O=C1CNC1 MCULE-8293494956 [0,0,0,1,0,0|1,0,2]=4 1464 B5R1.2 O=C1COC1 MCULE-6847248632 [0,0,0,1,0,0|0,0,2]=3 1465 B5R1.2 O=C1CSC1 MCULE-4436071261 [0,0,0,1,0,0|0,1,2]=4 1466 B5R1.2 OC1CCC1 MCULE-2856311430 [0,0,0,1,0,0|1,0,0]=2 1467 B5R1.2 OC1CNC1 MCULE-3596383447 [0,0,0,1,0,0|1,0,0]=2 1468 B5R1.2 OC1CNC1 MCULE-7913518128 [0,0,0,1,0,0|1,0,0]=2 1469 B5R1.2 OC1COC1 MCULE-2630355859 [0,0,0,1,0,0|0,0,0]=1 1470 B5R1.2 OC1CSC1 MCULE-6759275460 [0,0,0,1,0,0|0,1,0]=2 1471 B5R1.2 SC1CCC1 MCULE-1779239394 [0,0,0,1,0,0|1,1,0]=3 1472 B5R1.2 SC1CNC1 MCULE-5823473779 [0,0,0,1,0,0|1,1,0]=3 1473 B5R1.2 SC1CNC1 MCULE-9002536698 [0,0,0,1,0,0|1,1,0]=3 1474 B5R1.2 SC1COC1 MCULE-2175099379 [0,0,0,1,0,0|0,1,0]=2 1475 B5R1.3 BrCC1CC1 MCULE-6057571576 [0,0,0,1,0,0|2,0,0]=3 1476 B5R1.3 BrCC1CO1 MCULE-1054784183 [0,0,0,1,0,0|1,0,0]=2 1477 B5R1.3 C#CC1CC1 MCULE-8413731516 [0,0,0,1,0,0|2,0,1]=4 1478 B5R1.3 C1(CO1)CCl MCULE-2239256431 [0,0,0,1,0,0|1,0,0]=2 1479 B5R1.3 C=CC1CC1 MCULE-4323158851 [0,0,0,1,0,0|2,0,1]=4 1480 B5R1.3 C=CC1CO1 MCULE-1428696186 [0,0,0,1,0,0|1,0,1]=3 1481 B5R1.3 CCC1CO1 MCULE-4316722229 [0,0,0,1,0,0|1,0,0]=2 1482 B5R1.3 CCC1CO1 MCULE-8341828978 [0,0,0,1,0,0|1,0,0]=2 1483 B5R1.3 CC[C@@H]1CO1 MCULE-4349820919 [0,0,0,1,0,0|1,0,0]=2 1484 B5R1.3 CC[C@@H]1CO1 MCULE-5929218989 [0,0,0,1,0,0|1,0,0]=2 1485 B5R1.3 CC[C@H]1CO1 MCULE-3647278168 [0,0,0,1,0,0|1,0,0]=2 1486 B5R1.3 CC[C@H]1CO1 MCULE-4369524443 [0,0,0,1,0,0|1,0,0]=2 1487 B5R1.3 CNC1CC1 MCULE-4055097650 [0,0,0,1,0,0|2,0,0]=3 1488 B5R1.3 CNC1CC1 MCULE-8040280524 [0,0,0,1,0,0|2,0,0]=3 1489 B5R1.3 ClCC1CC1 MCULE-3906493674 [0,0,0,1,0,0|2,0,0]=3 1490 B5R1.3 ClCC1CO1 MCULE-9759519789 [0,0,0,1,0,0|1,0,0]=2 1491 B5R1.3 ClCC1CS1 MCULE-7368175691 [0,0,0,1,0,0|1,1,0]=3 1492 B5R1.3 ClC[C@@H]1CO1 MCULE-8144448889 [0,0,0,1,0,0|1,0,0]=2 1493 B5R1.3 ClC[C@@H]1CO1 MCULE-8710235870 [0,0,0,1,0,0|1,0,0]=2 1494 B5R1.3 ClC[C@H]1CO1 MCULE-2316124162 [0,0,0,1,0,0|1,0,0]=2 1495 B5R1.3 ClC[C@H]1CO1 MCULE-6957304600 [0,0,0,1,0,0|1,0,0]=2 1496 B5R1.3 FCC1CO1 MCULE-6156138745 [0,0,0,1,0,0|1,0,0]=2 1497 B5R1.3 FC[C@@H]1CO1 MCULE-7477932707 [0,0,0,1,0,0|1,0,0]=2 1498 B5R1.3 FNC1CC1 MCULE-4155496114 [0,0,0,1,0,0|3,0,0]=4 1499 B5R1.3 ICC1CC1 MCULE-2390979991 [0,0,0,1,0,0|2,0,0]=3 1500 B5R1.3 ICC1CO1 MCULE-6993621560 [0,0,0,1,0,0|1,0,0]=2 1501 B5R1.3 N#CC1CC1 MCULE-1838359731 [0,0,0,1,0,0|2,0,1]=4 1502 B5R1.3 NCC1CC1 MCULE-5832294538 [0,0,0,1,0,0|2,0,0]=3 1503 B5R1.3 NCC1CC1 MCULE-9914994928 [0,0,0,1,0,0|2,0,0]=3 1504 B5R1.3 NNC1CC1 MCULE-3522729516 [0,0,0,1,0,0|3,0,0]=4 1505 B5R1.3 NNC1CC1 MCULE-7121199703 [0,0,0,1,0,0|3,0,0]=4 1506 B5R1.3 NNC1CC1 MCULE-8598538666 [0,0,0,1,0,0|3,0,0]=4 1507 B5R1.3 NOC1CC1 MCULE-5379816123 [0,0,0,1,0,0|2,0,0]=3 1508 B5R1.3 O=CC1CC1 MCULE-9773190262 [0,0,0,1,0,0|1,0,2]=4 1509 B5R1.3 OCC1CC1 MCULE-4492474357 [0,0,0,1,0,0|1,0,0]=2 1510 B5R1.3 OCC1CO1 MCULE-2158628585 [0,0,0,1,0,0|0,0,0]=1 1511 B5R1.3 OCC1CO1 MCULE-4063620133 [0,0,0,1,0,0|0,0,0]=1 1512 B5R1.3 OC[C@@H]1CO1 MCULE-4213198809 [0,0,0,1,0,0|0,0,0]=1 1513 B5R1.3 OC[C@@H]1CO1 MCULE-6922911793 [0,0,0,1,0,0|0,0,0]=1 1514 B5R1.3 OC[C@H]1CO1 MCULE-2018407404 [0,0,0,1,0,0|0,0,0]=1 1515 B5R1.3 OC[C@H]1CO1 MCULE-9773081927 [0,0,0,1,0,0|0,0,0]=1 1516 B5R1.3 SCC1CC1 MCULE-9557919804 [0,0,0,1,0,0|1,1,0]=3 1517 B5R1.3 [C@@H]1(CO1)C=C MCULE-9776744095 [0,0,0,1,0,0|1,0,1]=3 1518 B5R1.3 [C@H]1(CO1)C=C MCULE-7934901088 [0,0,0,1,0,0|1,0,1]=3 1519 B5R1.4 CC1CC1N MCULE-4472318973 [0,0,0,1,0,0|2,0,0]=3 1520 B5R1.4 CC1CC1N MCULE-8037315228 [0,0,0,1,0,0|2,0,0]=3 1521 B5R1.4 CC1CC1O MCULE-2006758475 [0,0,0,1,0,0|1,0,0]=2 1522 B5R1.4 CC1OC1C MCULE-9780363671 [0,0,0,1,0,0|3,0,0]=4 1523 B5R1.4 C[C@@H]1C[C@@H]1N MCULE-6282896395 [0,0,0,1,0,0|2,0,0]=3 1524 B5R1.4 C[C@@H]1C[C@H]1N MCULE-1526017761 [0,0,0,1,0,0|2,0,0]=3 1525 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7111745511 [0,0,0,1,0,0|2,0,0]=3 1526 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7879046644 [0,0,0,1,0,0|2,0,0]=3 1527 B5R1.4 C[C@@H]1C[C@H]1N MCULE-9805986423 [0,0,0,1,0,0|2,0,0]=3 1528 B5R1.4 C[C@@H]1O[C@@H]1C MCULE-4355544092 [0,0,0,1,0,0|3,0,0]=4 1529 B5R1.4 C[C@@H]1O[C@H]1C MCULE-1930253682 [0,0,0,1,0,0|3,0,0]=4 1530 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9525222696 [0,0,0,1,0,0|2,0,0]=3 1531 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9658987958 [0,0,0,1,0,0|2,0,0]=3 1532 B5R1.4 C[C@H]1C[C@H]1N MCULE-4953477750 [0,0,0,1,0,0|2,0,0]=3 1533 B5R1.4 C[C@H]1C[C@H]1N MCULE-6429810931 [0,0,0,1,0,0|2,0,0]=3 1534 B5R1.4 C[C@H]1O[C@@H]1C MCULE-4354089942 [0,0,0,1,0,0|3,0,0]=4 1535 B5R1.4 C[C@H]1O[C@@H]1C MCULE-7982793342 [0,0,0,1,0,0|3,0,0]=4 1536 B5R1.4 FC1CC1Br MCULE-9881614971 [0,0,0,1,0,0|3,0,0]=4 1537 B5R1.4 NC1CC1F MCULE-8246845073 [0,0,0,1,0,0|3,0,0]=4 1538 B5R1.4 NC1CC1F MCULE-9705431616 [0,0,0,1,0,0|3,0,0]=4 1539 B5R1.4 NC1CC1N MCULE-2596247889 [0,0,0,1,0,0|3,0,0]=4 1540 B5R1.4 NC1CC1N MCULE-7859500244 [0,0,0,1,0,0|3,0,0]=4 1541 B5R1.4 NC1CC1O MCULE-2677451452 [0,0,0,1,0,0|2,0,0]=3 1542 B5R1.4 NC1CC1O MCULE-2909581707 [0,0,0,1,0,0|2,0,0]=3 1543 B5R1.4 NC1C[C@@H]1F MCULE-6104198419 [0,0,0,1,0,0|3,0,0]=4 1544 B5R1.4 NC1C[C@@H]1F MCULE-8327037761 [0,0,0,1,0,0|3,0,0]=4 1545 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1523759808 [0,0,0,1,0,0|3,0,0]=4 1546 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1966857090 [0,0,0,1,0,0|3,0,0]=4 1547 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-3541599795 [0,0,0,1,0,0|3,0,0]=4 1548 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-8279324103 [0,0,0,1,0,0|3,0,0]=4 1549 B5R1.4 N[C@@H]1C[C@@H]1O MCULE-1950197706 [0,0,0,1,0,0|2,0,0]=3 1550 B5R1.4 N[C@@H]1C[C@H]1F MCULE-1379839035 [0,0,0,1,0,0|3,0,0]=4 1551 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7084330140 [0,0,0,1,0,0|3,0,0]=4 1552 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7552076798 [0,0,0,1,0,0|3,0,0]=4 1553 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7897288338 [0,0,0,1,0,0|3,0,0]=4 1554 B5R1.4 N[C@@H]1C[C@H]1N MCULE-3447984641 [0,0,0,1,0,0|3,0,0]=4 1555 B5R1.4 N[C@@H]1C[C@H]1N MCULE-6823903337 [0,0,0,1,0,0|3,0,0]=4 1556 B5R1.4 N[C@@H]1C[C@H]1N MCULE-7464483331 [0,0,0,1,0,0|3,0,0]=4 1557 B5R1.4 N[C@@H]1C[C@H]1N MCULE-8962336863 [0,0,0,1,0,0|3,0,0]=4 1558 B5R1.4 N[C@@H]1C[C@H]1O MCULE-5188790849 [0,0,0,1,0,0|2,0,0]=3 1559 B5R1.4 N[C@@H]1C[C@H]1O MCULE-8531829585 [0,0,0,1,0,0|2,0,0]=3 1560 B5R1.4 N[C@H]1C[C@@H]1F MCULE-2098980306 [0,0,0,1,0,0|3,0,0]=4 1561 B5R1.4 N[C@H]1C[C@@H]1F MCULE-4142129455 [0,0,0,1,0,0|3,0,0]=4 1562 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8616633135 [0,0,0,1,0,0|3,0,0]=4 1563 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8788279695 [0,0,0,1,0,0|3,0,0]=4 1564 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3374448650 [0,0,0,1,0,0|3,0,0]=4 1565 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3782038729 [0,0,0,1,0,0|3,0,0]=4 1566 B5R1.4 N[C@H]1C[C@@H]1N MCULE-7583094160 [0,0,0,1,0,0|3,0,0]=4 1567 B5R1.4 N[C@H]1C[C@@H]1O MCULE-4699241997 [0,0,0,1,0,0|2,0,0]=3 1568 B5R1.4 N[C@H]1C[C@H]1F MCULE-1665232627 [0,0,0,1,0,0|3,0,0]=4 1569 B5R1.4 N[C@H]1C[C@H]1F MCULE-1941678287 [0,0,0,1,0,0|3,0,0]=4 1570 B5R1.4 N[C@H]1C[C@H]1F MCULE-3275343851 [0,0,0,1,0,0|3,0,0]=4 1571 B5R1.4 N[C@H]1C[C@H]1F MCULE-5308534229 [0,0,0,1,0,0|3,0,0]=4 1572 B5R1.4 N[C@H]1C[C@H]1N MCULE-1426528738 [0,0,0,1,0,0|3,0,0]=4 1573 B5R1.4 N[C@H]1C[C@H]1N MCULE-6003446819 [0,0,0,1,0,0|3,0,0]=4 1574 B5R1.4 N[C@H]1C[C@H]1O MCULE-3609246488 [0,0,0,1,0,0|2,0,0]=3 1575 B5R1.4 N[C@H]1C[C@H]1O MCULE-3860963329 [0,0,0,1,0,0|2,0,0]=3 1576 B5R1.4 [C@@H]1(C[C@H]1N)F MCULE-5118118569 [0,0,0,1,0,0|3,0,0]=4 1577 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-1071128348 [0,0,0,1,0,0|3,0,0]=4 1578 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-8956631145 [0,0,0,1,0,0|3,0,0]=4 1579 B2R0.1 BrCBr MCULE-5148445055 [2,0,0,0,0,0|2,0,0]=4 1580 B2R0.1 BrCI MCULE-5427209261 [2,0,0,0,0,0|2,0,0]=4 1581 B2R0.1 C#CC MCULE-8346460782 [2,0,0,0,0,0|0,0,2]=4 1582 B2R0.1 C=CC MCULE-5223715076 [2,0,0,0,0,0|0,0,2]=4 1583 B2R0.1 C=CO MCULE-8167566239 [2,0,0,0,0,0|0,0,2]=4 1584 B2R0.1 C=NO MCULE-1312312591 [2,0,0,0,0,0|1,0,1]=4 1585 B2R0.1 C=NO MCULE-7599902650 [2,0,0,0,0,0|1,0,1]=4 1586 B2R0.1 CC#N MCULE-8803543318 [2,0,0,0,0,0|1,0,1]=4 1587 B2R0.1 CC=O MCULE-6002254510 [2,0,0,0,0,0|0,0,2]=4 1588 B2R0.1 CC=O MCULE-6800925955 [2,0,0,0,0,0|0,0,2]=4 1589 B2R0.1 CCBr MCULE-9840669634 [2,0,0,0,0,0|1,0,0]=3 1590 B2R0.1 CCC MCULE-7179517367 [2,0,0,0,0,0|0,0,0]=2 1591 B2R0.1 CCCl MCULE-8087909182 [2,0,0,0,0,0|1,0,0]=3 1592 B2R0.1 CCI MCULE-9405436513 [2,0,0,0,0,0|1,0,0]=3 1593 B2R0.1 CCN MCULE-1774065508 [2,0,0,0,0,0|1,0,0]=3 1594 B2R0.1 CCN MCULE-5999638632 [2,0,0,0,0,0|1,0,0]=3 1595 B2R0.1 CCN MCULE-6233823811 [2,0,0,0,0,0|1,0,0]=3 1596 B2R0.1 CCN MCULE-6444557204 [2,0,0,0,0,0|1,0,0]=3 1597 B2R0.1 CCO MCULE-8818474596 [2,0,0,0,0,0|0,0,0]=2 1598 B2R0.1 CCS MCULE-5717309901 [2,0,0,0,0,0|0,1,0]=3 1599 B2R0.1 CNC MCULE-2809467532 [2,0,0,0,0,0|1,0,0]=3 1600 B2R0.1 CNN MCULE-6163742401 [2,0,0,0,0,0|2,0,0]=4 1601 B2R0.1 CNN MCULE-7217348217 [2,0,0,0,0,0|2,0,0]=4 1602 B2R0.1 CNN MCULE-9086529736 [2,0,0,0,0,0|2,0,0]=4 1603 B2R0.1 CNO MCULE-5310203084 [2,0,0,0,0,0|1,0,0]=3 1604 B2R0.1 CNO MCULE-7072005453 [2,0,0,0,0,0|1,0,0]=3 1605 B2R0.1 COC MCULE-4385003255 [2,0,0,0,0,0|0,0,0]=2 1606 B2R0.1 CON MCULE-1068458971 [2,0,0,0,0,0|1,0,0]=3 1607 B2R0.1 CON MCULE-8687558307 [2,0,0,0,0,0|1,0,0]=3 1608 B2R0.1 CO[NH3+] MCULE-6631452734 [2,0,0,0,0,0|1,0,0]=3 1609 B2R0.1 CO[NH3+] MCULE-9975010969 [2,0,0,0,0,0|1,0,0]=3 1610 B2R0.1 CSC MCULE-4525381422 [2,0,0,0,0,0|0,1,0]=3 1611 B2R0.1 C[Se]C MCULE-5369504805 [2,0,0,0,0,0|0,1,0]=3 1612 B2R0.1 ClCBr MCULE-5030719866 [2,0,0,0,0,0|2,0,0]=4 1613 B2R0.1 ClCCl MCULE-1114735075 [2,0,0,0,0,0|2,0,0]=4 1614 B2R0.1 ClCI MCULE-1762372626 [2,0,0,0,0,0|2,0,0]=4 1615 B2R0.1 FCF MCULE-9775386185 [2,0,0,0,0,0|2,0,0]=4 1616 B2R0.1 FCI MCULE-4283244074 [2,0,0,0,0,0|2,0,0]=4 1617 B2R0.1 ICI MCULE-8023612181 [2,0,0,0,0,0|2,0,0]=4 1618 B2R0.1 N#CO MCULE-7459250889 [2,0,0,0,0,0|1,0,1]=4 1619 B2R0.1 NCN MCULE-1911584441 [2,0,0,0,0,0|2,0,0]=4 1620 B2R0.1 NCN MCULE-5032116024 [2,0,0,0,0,0|2,0,0]=4 1621 B2R0.1 O=BO MCULE-1752281859 [2,0,0,0,0,0|1,0,1]=4 1622 B2R0.1 O=CO MCULE-7175589186 [2,0,0,0,0,0|0,0,2]=4 1623 B2R0.1 O=NO MCULE-6927518919 [2,0,0,0,0,0|1,0,1]=4 1624 B2R0.1 O=PO MCULE-5287418544 [2,0,0,0,0,0|1,0,1]=4 1625 B2R0.1 OBO MCULE-8455181481 [2,0,0,0,0,0|1,0,0]=3 1626 B2R0.1 OPO MCULE-1346196691 [2,0,0,0,0,0|1,0,0]=3 1627 B2R0.1 OPO MCULE-5673098193 [2,0,0,0,0,0|1,0,0]=3 1628 B2R0.1 [O-]PO MCULE-2811495269 [2,0,0,0,0,0|1,0,1]=4 1629 B2R0.1 [O-]PO MCULE-6918966731 [2,0,0,0,0,0|1,0,1]=4 1630 B4R0.1 BrCC(Br)Br MCULE-1904439252 [1,1,0,0,0,0|2,0,0]=4 1631 B4R0.1 C#CC(C)Br MCULE-6701225038 [1,1,0,0,0,0|1,0,1]=4 1632 B4R0.1 C#CC(C)C MCULE-4600802925 [1,1,0,0,0,0|1,0,1]=4 1633 B4R0.1 C#CC(C)Cl MCULE-2069451312 [1,1,0,0,0,0|1,0,1]=4 1634 B4R0.1 C#CC(C)N MCULE-5174459541 [1,1,0,0,0,0|1,0,1]=4 1635 B4R0.1 C#CC(C)N MCULE-7552261137 [1,1,0,0,0,0|1,0,1]=4 1636 B4R0.1 C#CC(C)N MCULE-8458008104 [1,1,0,0,0,0|1,0,1]=4 1637 B4R0.1 C#CC(C)N MCULE-8872781976 [1,1,0,0,0,0|1,0,1]=4 1638 B4R0.1 C#CC(C)O MCULE-6692690957 [1,1,0,0,0,0|0,0,2]=4 1639 B4R0.1 C#CC(C)O MCULE-8115962170 [1,1,0,0,0,0|0,0,2]=4 1640 B4R0.1 C#C[C@@H](C)N MCULE-1688945745 [1,1,0,0,0,0|1,0,1]=4 1641 B4R0.1 C#C[C@@H](C)N MCULE-2648127023 [1,1,0,0,0,0|1,0,1]=4 1642 B4R0.1 C#C[C@@H](C)N MCULE-4450167680 [1,1,0,0,0,0|1,0,1]=4 1643 B4R0.1 C#C[C@@H](C)N MCULE-5940189329 [1,1,0,0,0,0|1,0,1]=4 1644 B4R0.1 C#C[C@@H](C)O MCULE-3014030718 [1,1,0,0,0,0|0,0,2]=4 1645 B4R0.1 C#C[C@@H](C)O MCULE-5925379513 [1,1,0,0,0,0|0,0,2]=4 1646 B4R0.1 C#C[C@H](C)N MCULE-1256303297 [1,1,0,0,0,0|1,0,1]=4 1647 B4R0.1 C#C[C@H](C)N MCULE-4223264163 [1,1,0,0,0,0|1,0,1]=4 1648 B4R0.1 C#C[C@H](C)N MCULE-9450573338 [1,1,0,0,0,0|1,0,1]=4 1649 B4R0.1 C#C[C@H](C)N MCULE-9795039145 [1,1,0,0,0,0|1,0,1]=4 1650 B4R0.1 C#C[C@H](C)O MCULE-3264536845 [1,1,0,0,0,0|0,0,2]=4 1651 B4R0.1 C(C)(N)CN MCULE-5877041140 [1,1,0,0,0,0|1,0,0]=3 1652 B4R0.1 C(C)(N)CO MCULE-5844242932 [1,1,0,0,0,0|0,0,0]=2 1653 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [1,1,0,0,0,0|1,0,1]=4 1654 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [1,1,0,0,0,0|1,0,1]=4 1655 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [1,1,0,0,0,0|1,0,1]=4 1656 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [1,1,0,0,0,0|1,0,1]=4 1657 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [1,1,0,0,0,0|1,0,1]=4 1658 B4R0.1 C=C(Br)CC MCULE-6271946451 [1,1,0,0,0,0|1,0,1]=4 1659 B4R0.1 C=C(Br)CO MCULE-7763893047 [1,1,0,0,0,0|0,0,2]=4 1660 B4R0.1 C=C(C)CBr MCULE-1361893863 [1,1,0,0,0,0|1,0,1]=4 1661 B4R0.1 C=C(C)CCl MCULE-5586406339 [1,1,0,0,0,0|1,0,1]=4 1662 B4R0.1 C=C(C)CI MCULE-3678124406 [1,1,0,0,0,0|1,0,1]=4 1663 B4R0.1 C=C(C)CN MCULE-1033495975 [1,1,0,0,0,0|1,0,1]=4 1664 B4R0.1 C=C(C)CN MCULE-8730181300 [1,1,0,0,0,0|1,0,1]=4 1665 B4R0.1 C=C(C)CO MCULE-8641288398 [1,1,0,0,0,0|0,0,1]=3 1666 B4R0.1 C=C(C)CS MCULE-5174170431 [1,1,0,0,0,0|0,1,1]=4 1667 B4R0.1 C=C(C)OC MCULE-7344104255 [1,1,0,0,0,0|0,0,1]=3 1668 B4R0.1 C=C(Cl)CO MCULE-8813337564 [1,1,0,0,0,0|0,0,2]=4 1669 B4R0.1 C=C(F)CO MCULE-2779963696 [1,1,0,0,0,0|0,0,2]=4 1670 B4R0.1 C=C(I)CO MCULE-2533897125 [1,1,0,0,0,0|0,0,2]=4 1671 B4R0.1 C=CC(C)Cl MCULE-1756172983 [1,1,0,0,0,0|1,0,1]=4 1672 B4R0.1 C=CC(C)N MCULE-5748048106 [1,1,0,0,0,0|1,0,1]=4 1673 B4R0.1 C=CC(C)N MCULE-6786590923 [1,1,0,0,0,0|1,0,1]=4 1674 B4R0.1 C=CC(C)O MCULE-4525368256 [1,1,0,0,0,0|0,0,2]=4 1675 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [1,1,0,0,0,0|1,0,1]=4 1676 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [1,1,0,0,0,0|1,0,1]=4 1677 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [1,1,0,0,0,0|1,0,1]=4 1678 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [1,1,0,0,0,0|1,0,1]=4 1679 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [1,1,0,0,0,0|1,0,1]=4 1680 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [1,1,0,0,0,0|1,0,1]=4 1681 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [1,1,0,0,0,0|1,0,1]=4 1682 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [1,1,0,0,0,0|1,0,1]=4 1683 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [1,1,0,0,0,0|0,0,2]=4 1684 B4R0.1 CC(=NO)C MCULE-3243100216 [1,1,0,0,0,0|1,0,1]=4 1685 B4R0.1 CC(=O)CBr MCULE-7812920675 [1,1,0,0,0,0|1,0,1]=4 1686 B4R0.1 CC(=O)CCl MCULE-2501365933 [1,1,0,0,0,0|1,0,1]=4 1687 B4R0.1 CC(=O)CF MCULE-7417279999 [1,1,0,0,0,0|1,0,1]=4 1688 B4R0.1 CC(=O)CN MCULE-2715277783 [1,1,0,0,0,0|1,0,1]=4 1689 B4R0.1 CC(=O)CN MCULE-6004541862 [1,1,0,0,0,0|1,0,1]=4 1690 B4R0.1 CC(=O)CO MCULE-2989526028 [1,1,0,0,0,0|0,0,1]=3 1691 B4R0.1 CC(=O)CS MCULE-9736174016 [1,1,0,0,0,0|0,1,1]=4 1692 B4R0.1 CC(=O)NO MCULE-2682231025 [1,1,0,0,0,0|1,0,1]=4 1693 B4R0.1 CC(=O)OO MCULE-6028338742 [1,1,0,0,0,0|1,0,1]=4 1694 B4R0.1 CC(Br)C#N MCULE-2994851090 [1,1,0,0,0,0|1,0,1]=4 1695 B4R0.1 CC(Br)C=O MCULE-6060704330 [1,1,0,0,0,0|0,0,2]=4 1696 B4R0.1 CC(Br)CBr MCULE-6304574748 [1,1,0,0,0,0|1,0,0]=3 1697 B4R0.1 CC(Br)CCl MCULE-8021380791 [1,1,0,0,0,0|1,0,0]=3 1698 B4R0.1 CC(Br)CN MCULE-5214613046 [1,1,0,0,0,0|1,0,0]=3 1699 B4R0.1 CC(Br)CN MCULE-6326218362 [1,1,0,0,0,0|1,0,0]=3 1700 B4R0.1 CC(Br)CO MCULE-8344365003 [1,1,0,0,0,0|0,0,0]=2 1701 B4R0.1 CC(C)C#N MCULE-8390118776 [1,1,0,0,0,0|1,0,1]=4 1702 B4R0.1 CC(C)C=O MCULE-3575731904 [1,1,0,0,0,0|0,0,2]=4 1703 B4R0.1 CC(C)CBr MCULE-6039420480 [1,1,0,0,0,0|1,0,0]=3 1704 B4R0.1 CC(C)CCl MCULE-6524976746 [1,1,0,0,0,0|1,0,0]=3 1705 B4R0.1 CC(C)CI MCULE-5280589461 [1,1,0,0,0,0|1,0,0]=3 1706 B4R0.1 CC(C)CN MCULE-2158650588 [1,1,0,0,0,0|1,0,0]=3 1707 B4R0.1 CC(C)CN MCULE-6751437658 [1,1,0,0,0,0|1,0,0]=3 1708 B4R0.1 CC(C)CN MCULE-8319193456 [1,1,0,0,0,0|1,0,0]=3 1709 B4R0.1 CC(C)CN MCULE-8705657065 [1,1,0,0,0,0|1,0,0]=3 1710 B4R0.1 CC(C)CO MCULE-6294327194 [1,1,0,0,0,0|0,0,0]=2 1711 B4R0.1 CC(C)CP MCULE-3724358658 [1,1,0,0,0,0|1,0,0]=3 1712 B4R0.1 CC(C)CS MCULE-7978911055 [1,1,0,0,0,0|0,1,0]=3 1713 B4R0.1 CC(C)NN MCULE-4673953224 [1,1,0,0,0,0|2,0,0]=4 1714 B4R0.1 CC(C)NN MCULE-7901160798 [1,1,0,0,0,0|2,0,0]=4 1715 B4R0.1 CC(C)NN MCULE-9473118288 [1,1,0,0,0,0|2,0,0]=4 1716 B4R0.1 CC(C)NO MCULE-6516566403 [1,1,0,0,0,0|1,0,0]=3 1717 B4R0.1 CC(C)NO MCULE-8545146035 [1,1,0,0,0,0|1,0,0]=3 1718 B4R0.1 CC(C)ON MCULE-4063407094 [1,1,0,0,0,0|1,0,0]=3 1719 B4R0.1 CC(C)ON MCULE-9108231771 [1,1,0,0,0,0|1,0,0]=3 1720 B4R0.1 CC(C)O[NH3+] MCULE-7527132972 [1,1,0,0,0,0|1,0,0]=3 1721 B4R0.1 CC(C)O[NH3+] MCULE-8847326857 [1,1,0,0,0,0|1,0,0]=3 1722 B4R0.1 CC(Cl)C#N MCULE-9841634909 [1,1,0,0,0,0|1,0,1]=4 1723 B4R0.1 CC(Cl)CBr MCULE-8474943880 [1,1,0,0,0,0|1,0,0]=3 1724 B4R0.1 CC(Cl)CCl MCULE-1548912109 [1,1,0,0,0,0|1,0,0]=3 1725 B4R0.1 CC(Cl)CN MCULE-2637316379 [1,1,0,0,0,0|1,0,0]=3 1726 B4R0.1 CC(Cl)CN MCULE-5591419030 [1,1,0,0,0,0|1,0,0]=3 1727 B4R0.1 CC(Cl)CO MCULE-3857255988 [1,1,0,0,0,0|0,0,0]=2 1728 B4R0.1 CC(Cl)CO MCULE-7538548427 [1,1,0,0,0,0|0,0,0]=2 1729 B4R0.1 CC(F)CN MCULE-6584490651 [1,1,0,0,0,0|1,0,0]=3 1730 B4R0.1 CC(F)CN MCULE-9499916116 [1,1,0,0,0,0|1,0,0]=3 1731 B4R0.1 CC(F)CO MCULE-6006763378 [1,1,0,0,0,0|0,0,0]=2 1732 B4R0.1 CC(N)C#N MCULE-4008524363 [1,1,0,0,0,0|1,0,1]=4 1733 B4R0.1 CC(N)C#N MCULE-8654767875 [1,1,0,0,0,0|1,0,1]=4 1734 B4R0.1 CC(N)C=O MCULE-3421118418 [1,1,0,0,0,0|0,0,2]=4 1735 B4R0.1 CC(N)CBr MCULE-1783493149 [1,1,0,0,0,0|1,0,0]=3 1736 B4R0.1 CC(N)CBr MCULE-2775398297 [1,1,0,0,0,0|1,0,0]=3 1737 B4R0.1 CC(N)CCl MCULE-8652434595 [1,1,0,0,0,0|1,0,0]=3 1738 B4R0.1 CC(N)CCl MCULE-9580466630 [1,1,0,0,0,0|1,0,0]=3 1739 B4R0.1 CC(N)CF MCULE-1603143200 [1,1,0,0,0,0|1,0,0]=3 1740 B4R0.1 CC(N)CF MCULE-3787216870 [1,1,0,0,0,0|1,0,0]=3 1741 B4R0.1 CC(N)CF MCULE-4138869746 [1,1,0,0,0,0|1,0,0]=3 1742 B4R0.1 CC(N)CF MCULE-8611760275 [1,1,0,0,0,0|1,0,0]=3 1743 B4R0.1 CC(N)CN MCULE-2119036110 [1,1,0,0,0,0|1,0,0]=3 1744 B4R0.1 CC(N)CN MCULE-6286216576 [1,1,0,0,0,0|1,0,0]=3 1745 B4R0.1 CC(N)CN MCULE-9919433465 [1,1,0,0,0,0|1,0,0]=3 1746 B4R0.1 CC(N)CO MCULE-1361379423 [1,1,0,0,0,0|0,0,0]=2 1747 B4R0.1 CC(N)CO MCULE-2098440985 [1,1,0,0,0,0|0,0,0]=2 1748 B4R0.1 CC(N)CS MCULE-1396853557 [1,1,0,0,0,0|0,1,0]=3 1749 B4R0.1 CC(N)CS MCULE-4094732666 [1,1,0,0,0,0|0,1,0]=3 1750 B4R0.1 CC(O)C#N MCULE-3166802314 [1,1,0,0,0,0|1,0,1]=4 1751 B4R0.1 CC(O)CBr MCULE-7835094737 [1,1,0,0,0,0|1,0,0]=3 1752 B4R0.1 CC(O)CCl MCULE-9140807958 [1,1,0,0,0,0|1,0,0]=3 1753 B4R0.1 CC(O)CF MCULE-1023052065 [1,1,0,0,0,0|1,0,0]=3 1754 B4R0.1 CC(O)CN MCULE-4370440652 [1,1,0,0,0,0|1,0,0]=3 1755 B4R0.1 CC(O)CN MCULE-5694317743 [1,1,0,0,0,0|1,0,0]=3 1756 B4R0.1 CC(O)CN MCULE-6406041538 [1,1,0,0,0,0|1,0,0]=3 1757 B4R0.1 CC(O)CN MCULE-6636652305 [1,1,0,0,0,0|1,0,0]=3 1758 B4R0.1 CC(O)CO MCULE-5574440784 [1,1,0,0,0,0|0,0,0]=2 1759 B4R0.1 CC(O)CO MCULE-8743139013 [1,1,0,0,0,0|0,0,0]=2 1760 B4R0.1 CC(O)CS MCULE-7881083356 [1,1,0,0,0,0|0,1,0]=3 1761 B4R0.1 CC(O)C[NH3+] MCULE-6871369474 [1,1,0,0,0,0|1,0,0]=3 1762 B4R0.1 CC(S)CN MCULE-1957568322 [1,1,0,0,0,0|1,0,0]=3 1763 B4R0.1 CC(S)CN MCULE-7469442412 [1,1,0,0,0,0|1,0,0]=3 1764 B4R0.1 CC(S)CO MCULE-5090908062 [1,1,0,0,0,0|0,0,0]=2 1765 B4R0.1 CC(S)CS MCULE-9264694858 [1,1,0,0,0,0|0,1,0]=3 1766 B4R0.1 CC=C(C)Br MCULE-1371905211 [1,1,0,0,0,0|1,0,1]=4 1767 B4R0.1 CC=C(C)C MCULE-4230157245 [1,1,0,0,0,0|1,0,1]=4 1768 B4R0.1 CC=C(C)Cl MCULE-3844314543 [1,1,0,0,0,0|1,0,1]=4 1769 B4R0.1 CCB(O)O MCULE-1650960999 [1,1,0,0,0,0|1,0,0]=3 1770 B4R0.1 CCC(=N)N MCULE-1856575742 [1,1,0,0,0,0|1,0,1]=4 1771 B4R0.1 CCC(=N)N MCULE-2534386807 [1,1,0,0,0,0|1,0,1]=4 1772 B4R0.1 CCC(=O)Br MCULE-7870678619 [1,1,0,0,0,0|0,0,2]=4 1773 B4R0.1 CCC(=O)C MCULE-8276670748 [1,1,0,0,0,0|1,0,0]=3 1774 B4R0.1 CCC(=O)Cl MCULE-3081874391 [1,1,0,0,0,0|0,0,2]=4 1775 B4R0.1 CCC(=O)F MCULE-8783887670 [1,1,0,0,0,0|0,0,2]=4 1776 B4R0.1 CCC(=O)N MCULE-3730796130 [1,1,0,0,0,0|0,0,2]=4 1777 B4R0.1 CCC(=O)O MCULE-2199051150 [1,1,0,0,0,0|0,0,1]=3 1778 B4R0.1 CCC(=O)O MCULE-9800054040 [1,1,0,0,0,0|0,0,1]=3 1779 B4R0.1 CCC(=O)S MCULE-3392119766 [1,1,0,0,0,0|0,0,2]=4 1780 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [1,1,0,0,0,0|0,0,2]=4 1781 B4R0.1 CCC(=S)N MCULE-3921479699 [1,1,0,0,0,0|0,1,1]=4 1782 B4R0.1 CCC(C)Br MCULE-9661620259 [1,1,0,0,0,0|1,0,0]=3 1783 B4R0.1 CCC(C)C MCULE-5376105936 [1,1,0,0,0,0|1,0,0]=3 1784 B4R0.1 CCC(C)Cl MCULE-2954418486 [1,1,0,0,0,0|1,0,0]=3 1785 B4R0.1 CCC(C)I MCULE-5239699587 [1,1,0,0,0,0|1,0,0]=3 1786 B4R0.1 CCC(C)N MCULE-5041676035 [1,1,0,0,0,0|1,0,0]=3 1787 B4R0.1 CCC(C)N MCULE-5835091553 [1,1,0,0,0,0|1,0,0]=3 1788 B4R0.1 CCC(C)N MCULE-6631606230 [1,1,0,0,0,0|1,0,0]=3 1789 B4R0.1 CCC(C)N MCULE-8165681721 [1,1,0,0,0,0|1,0,0]=3 1790 B4R0.1 CCC(C)O MCULE-4099350806 [1,1,0,0,0,0|0,0,0]=2 1791 B4R0.1 CCC(C)O MCULE-5005120003 [1,1,0,0,0,0|0,0,0]=2 1792 B4R0.1 CCC(C)S MCULE-4988033753 [1,1,0,0,0,0|0,1,0]=3 1793 B4R0.1 CCN(=O)=O MCULE-6603591614 [1,1,0,0,0,0|1,0,1]=4 1794 B4R0.1 CCN(C)C MCULE-5825033552 [1,1,0,0,0,0|1,0,0]=3 1795 B4R0.1 CCN(C)N MCULE-2279492356 [1,1,0,0,0,0|1,0,0]=3 1796 B4R0.1 CCN(C)N MCULE-5660338703 [1,1,0,0,0,0|1,0,0]=3 1797 B4R0.1 CCN(C)N MCULE-9839987578 [1,1,0,0,0,0|1,0,0]=3 1798 B4R0.1 CCS(=O)C MCULE-4400935745 [1,1,0,0,0,0|0,1,0]=3 1799 B4R0.1 CCS(=O)O MCULE-9872932319 [1,1,0,0,0,0|1,0,0]=3 1800 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [1,1,0,0,0,0|1,0,1]=4 1801 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [1,1,0,0,0,0|1,0,0]=3 1802 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [1,1,0,0,0,0|1,0,0]=3 1803 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [1,1,0,0,0,0|1,0,0]=3 1804 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [1,1,0,0,0,0|1,0,0]=3 1805 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [1,1,0,0,0,0|0,0,0]=2 1806 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [1,1,0,0,0,0|0,0,0]=2 1807 B4R0.1 CC[C@H](C)N MCULE-2450201533 [1,1,0,0,0,0|1,0,0]=3 1808 B4R0.1 CC[C@H](C)N MCULE-2998961427 [1,1,0,0,0,0|1,0,0]=3 1809 B4R0.1 CC[C@H](C)N MCULE-6692190471 [1,1,0,0,0,0|1,0,0]=3 1810 B4R0.1 CC[C@H](C)N MCULE-6904795465 [1,1,0,0,0,0|1,0,0]=3 1811 B4R0.1 CC[C@H](C)O MCULE-3700911573 [1,1,0,0,0,0|0,0,0]=2 1812 B4R0.1 CC[C@H](C)O MCULE-6063716138 [1,1,0,0,0,0|0,0,0]=2 1813 B4R0.1 CN(C)CCl MCULE-4906480184 [1,1,0,0,0,0|2,0,0]=4 1814 B4R0.1 CN(C)CCl MCULE-5465672480 [1,1,0,0,0,0|2,0,0]=4 1815 B4R0.1 CNC(=O)C MCULE-2612997941 [1,1,0,0,0,0|1,0,1]=4 1816 B4R0.1 CNC(=S)C MCULE-8699171591 [1,1,0,0,0,0|1,0,1]=4 1817 B4R0.1 CNC(C)C MCULE-3849513543 [1,1,0,0,0,0|1,0,0]=3 1818 B4R0.1 CNN(C)C MCULE-7120869955 [1,1,0,0,0,0|2,0,0]=4 1819 B4R0.1 CNN(C)C MCULE-8318926099 [1,1,0,0,0,0|2,0,0]=4 1820 B4R0.1 COC(=N)C MCULE-2752794913 [1,1,0,0,0,0|0,0,1]=3 1821 B4R0.1 COC(=N)C MCULE-2904991083 [1,1,0,0,0,0|0,0,1]=3 1822 B4R0.1 COC(=N)N MCULE-1611076737 [1,1,0,0,0,0|1,0,1]=4 1823 B4R0.1 COC(=N)N MCULE-4923904579 [1,1,0,0,0,0|1,0,1]=4 1824 B4R0.1 COC(=N)N MCULE-6696789855 [1,1,0,0,0,0|1,0,1]=4 1825 B4R0.1 COC(=N)N MCULE-9171600210 [1,1,0,0,0,0|1,0,1]=4 1826 B4R0.1 COC(=O)C MCULE-7368066093 [1,1,0,0,0,0|0,0,1]=3 1827 B4R0.1 COC(=O)Cl MCULE-8022274771 [1,1,0,0,0,0|0,0,2]=4 1828 B4R0.1 COC(=O)N MCULE-4070607369 [1,1,0,0,0,0|0,0,2]=4 1829 B4R0.1 COC(=S)N MCULE-9414558443 [1,1,0,0,0,0|0,1,1]=4 1830 B4R0.1 COC(=S)[S-] MCULE-4829872223 [1,1,0,0,0,0|0,1,1]=4 1831 B4R0.1 COC(=S)[S-] MCULE-6509496630 [1,1,0,0,0,0|0,1,1]=4 1832 B4R0.1 COC(C)Cl MCULE-9043930044 [1,1,0,0,0,0|0,0,0]=2 1833 B4R0.1 COC(Cl)Cl MCULE-7296291650 [1,1,0,0,0,0|1,0,0]=3 1834 B4R0.1 COP(Cl)Cl MCULE-5269746171 [1,1,0,0,0,0|2,0,0]=4 1835 B4R0.1 CSC(=O)C MCULE-7061634598 [1,1,0,0,0,0|0,1,1]=4 1836 B4R0.1 CSC(=S)C MCULE-4836153374 [1,1,0,0,0,0|0,1,1]=4 1837 B4R0.1 CSC(C)C MCULE-5932565699 [1,1,0,0,0,0|0,1,0]=3 1838 B4R0.1 CSS(=O)C MCULE-6515592458 [1,1,0,0,0,0|1,1,0]=4 1839 B4R0.1 CS[S+](C)C MCULE-1869043585 [1,1,0,0,0,0|1,1,0]=4 1840 B4R0.1 CS[S+](C)C MCULE-4164877790 [1,1,0,0,0,0|1,1,0]=4 1841 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [1,1,0,0,0,0|0,0,0]=2 1842 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [1,1,0,0,0,0|0,0,0]=2 1843 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [1,1,0,0,0,0|0,0,0]=2 1844 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [1,1,0,0,0,0|0,0,0]=2 1845 B4R0.1 C[C@@H](N)C#N MCULE-4366493733 [1,1,0,0,0,0|1,0,1]=4 1846 B4R0.1 C[C@@H](N)C#N MCULE-4475438132 [1,1,0,0,0,0|1,0,1]=4 1847 B4R0.1 C[C@@H](N)C#N MCULE-8152568021 [1,1,0,0,0,0|1,0,1]=4 1848 B4R0.1 C[C@@H](N)C#N MCULE-9327848803 [1,1,0,0,0,0|1,0,1]=4 1849 B4R0.1 C[C@@H](N)CF MCULE-2227343602 [1,1,0,0,0,0|1,0,0]=3 1850 B4R0.1 C[C@@H](N)CF MCULE-2283243747 [1,1,0,0,0,0|1,0,0]=3 1851 B4R0.1 C[C@@H](N)CF MCULE-6326763354 [1,1,0,0,0,0|1,0,0]=3 1852 B4R0.1 C[C@@H](N)CF MCULE-6630824972 [1,1,0,0,0,0|1,0,0]=3 1853 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [1,1,0,0,0,0|1,0,0]=3 1854 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [1,1,0,0,0,0|1,0,0]=3 1855 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [1,1,0,0,0,0|1,0,0]=3 1856 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [1,1,0,0,0,0|1,0,0]=3 1857 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [1,1,0,0,0,0|0,0,0]=2 1858 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [1,1,0,0,0,0|0,0,0]=2 1859 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [1,1,0,0,0,0|0,0,2]=4 1860 B4R0.1 C[C@@H](O)CCl MCULE-4669677883 [1,1,0,0,0,0|1,0,0]=3 1861 B4R0.1 C[C@@H](O)CCl MCULE-7670590902 [1,1,0,0,0,0|1,0,0]=3 1862 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [1,1,0,0,0,0|1,0,0]=3 1863 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [1,1,0,0,0,0|0,0,0]=2 1864 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [1,1,0,0,0,0|0,0,0]=2 1865 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [1,1,0,0,0,0|0,1,0]=3 1866 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [1,1,0,0,0,0|0,0,0]=2 1867 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [1,1,0,0,0,0|0,0,0]=2 1868 B4R0.1 C[C@H](F)CO MCULE-1024261541 [1,1,0,0,0,0|0,0,0]=2 1869 B4R0.1 C[C@H](F)CO MCULE-7028098137 [1,1,0,0,0,0|0,0,0]=2 1870 B4R0.1 C[C@H](N)C#N MCULE-2449963253 [1,1,0,0,0,0|1,0,1]=4 1871 B4R0.1 C[C@H](N)C#N MCULE-3624286995 [1,1,0,0,0,0|1,0,1]=4 1872 B4R0.1 C[C@H](N)CF MCULE-1053227516 [1,1,0,0,0,0|1,0,0]=3 1873 B4R0.1 C[C@H](N)CF MCULE-4024916343 [1,1,0,0,0,0|1,0,0]=3 1874 B4R0.1 C[C@H](N)CF MCULE-6312285034 [1,1,0,0,0,0|1,0,0]=3 1875 B4R0.1 C[C@H](N)CF MCULE-7630744199 [1,1,0,0,0,0|1,0,0]=3 1876 B4R0.1 C[C@H](N)CN MCULE-2048837128 [1,1,0,0,0,0|1,0,0]=3 1877 B4R0.1 C[C@H](N)CN MCULE-4105152552 [1,1,0,0,0,0|1,0,0]=3 1878 B4R0.1 C[C@H](N)CN MCULE-7106390536 [1,1,0,0,0,0|1,0,0]=3 1879 B4R0.1 C[C@H](N)CN MCULE-9863306005 [1,1,0,0,0,0|1,0,0]=3 1880 B4R0.1 C[C@H](N)CO MCULE-2471107013 [1,1,0,0,0,0|0,0,0]=2 1881 B4R0.1 C[C@H](N)CO MCULE-5424195678 [1,1,0,0,0,0|0,0,0]=2 1882 B4R0.1 C[C@H](O)CCl MCULE-3018109825 [1,1,0,0,0,0|1,0,0]=3 1883 B4R0.1 C[C@H](O)CCl MCULE-5836677540 [1,1,0,0,0,0|1,0,0]=3 1884 B4R0.1 C[C@H](O)CN MCULE-3227371869 [1,1,0,0,0,0|1,0,0]=3 1885 B4R0.1 C[C@H](O)CN MCULE-5480489257 [1,1,0,0,0,0|1,0,0]=3 1886 B4R0.1 C[C@H](O)CO MCULE-6582852191 [1,1,0,0,0,0|0,0,0]=2 1887 B4R0.1 C[C@H](O)CO MCULE-8074793296 [1,1,0,0,0,0|0,0,0]=2 1888 B4R0.1 C[C@H](O)CS MCULE-9061842733 [1,1,0,0,0,0|0,1,0]=3 1889 B4R0.1 ClC(Br)CBr MCULE-4330156086 [1,1,0,0,0,0|2,0,0]=4 1890 B4R0.1 ClC(Cl)CBr MCULE-8368261609 [1,1,0,0,0,0|2,0,0]=4 1891 B4R0.1 ClCC(Cl)Cl MCULE-9302905435 [1,1,0,0,0,0|2,0,0]=4 1892 B4R0.1 FC(Br)CBr MCULE-2977436061 [1,1,0,0,0,0|2,0,0]=4 1893 B4R0.1 FC(Cl)CCl MCULE-6531960916 [1,1,0,0,0,0|2,0,0]=4 1894 B4R0.1 FC(F)CBr MCULE-5166579689 [1,1,0,0,0,0|2,0,0]=4 1895 B4R0.1 FC(F)CI MCULE-4051435294 [1,1,0,0,0,0|2,0,0]=4 1896 B4R0.1 FCC(F)Cl MCULE-7439685421 [1,1,0,0,0,0|2,0,0]=4 1897 B4R0.1 N=C(N)CO MCULE-5146395919 [1,1,0,0,0,0|1,0,1]=4 1898 B4R0.1 N=C(N)CO MCULE-8814507460 [1,1,0,0,0,0|1,0,1]=4 1899 B4R0.1 NC(=O)CO MCULE-2739878376 [1,1,0,0,0,0|0,0,2]=4 1900 B4R0.1 NC(=S)CO MCULE-9301705313 [1,1,0,0,0,0|0,1,1]=4 1901 B4R0.1 NCC(=O)O MCULE-2415764032 [1,1,0,0,0,0|1,0,1]=4 1902 B4R0.1 NCC(=O)O MCULE-3643110755 [1,1,0,0,0,0|1,0,1]=4 1903 B4R0.1 NCC(=O)O MCULE-4349255299 [1,1,0,0,0,0|1,0,1]=4 1904 B4R0.1 NCC(=O)O MCULE-9146223615 [1,1,0,0,0,0|1,0,1]=4 1905 B4R0.1 NCC(=O)O MCULE-9701991737 [1,1,0,0,0,0|1,0,1]=4 1906 B4R0.1 NCC(Cl)Cl MCULE-6022785182 [1,1,0,0,0,0|2,0,0]=4 1907 B4R0.1 NCC(Cl)Cl MCULE-8181626787 [1,1,0,0,0,0|2,0,0]=4 1908 B4R0.1 NCC(F)F MCULE-5562582586 [1,1,0,0,0,0|2,0,0]=4 1909 B4R0.1 NCC(F)F MCULE-9437628707 [1,1,0,0,0,0|2,0,0]=4 1910 B4R0.1 O=C(O)CBr MCULE-1503716137 [1,1,0,0,0,0|1,0,1]=4 1911 B4R0.1 O=C(O)CCl MCULE-9228754880 [1,1,0,0,0,0|1,0,1]=4 1912 B4R0.1 O=C(O)CF MCULE-6584094437 [1,1,0,0,0,0|1,0,1]=4 1913 B4R0.1 O=C(O)CI MCULE-3146792857 [1,1,0,0,0,0|1,0,1]=4 1914 B4R0.1 O=C(O)CO MCULE-9792551388 [1,1,0,0,0,0|0,0,1]=3 1915 B4R0.1 O=C(O)CS MCULE-8097997001 [1,1,0,0,0,0|0,1,1]=4 1916 B4R0.1 O=C([O-])CO MCULE-2780567509 [1,1,0,0,0,0|0,0,2]=4 1917 B4R0.1 O=S(O)CO MCULE-4195832185 [1,1,0,0,0,0|1,0,0]=3 1918 B4R0.1 O=S([O-])CO MCULE-5211722344 [1,1,0,0,0,0|1,0,1]=4 1919 B4R0.1 OB(O)CCl MCULE-1740750359 [1,1,0,0,0,0|2,0,0]=4 1920 B4R0.1 OCC(Cl)Cl MCULE-3279441180 [1,1,0,0,0,0|1,0,0]=3 1921 B4R0.1 OCC(F)Br MCULE-5466660542 [1,1,0,0,0,0|1,0,0]=3 1922 B4R0.1 OCC(F)F MCULE-3252378943 [1,1,0,0,0,0|1,0,0]=3 1923 B4R0.1 P(=O)(O)CN MCULE-5441171864 [1,1,0,0,0,0|2,0,0]=4 1924 B4R0.1 [C@@H](C)(O)C#C MCULE-8971134855 [1,1,0,0,0,0|0,0,2]=4 1925 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [1,1,0,0,0,0|1,0,0]=3 1926 B4R0.1 [NH3+]C(C)CC MCULE-3066898055 [1,1,0,0,0,0|1,0,0]=3 1927 B6R0.1 C#C/C(=C\CO)/C MCULE-5643545939 [0,2,0,0,0,0|1,0,1]=4 1928 B6R0.1 C#CC(=CCO)C MCULE-7063837718 [0,2,0,0,0,0|1,0,1]=4 1929 B6R0.1 C#CC(N)CCC MCULE-1649795667 [0,2,0,0,0,0|2,0,0]=4 1930 B6R0.1 C#CC(N)CCC MCULE-4074347601 [0,2,0,0,0,0|2,0,0]=4 1931 B6R0.1 C#CC(N)COC MCULE-7083913188 [0,2,0,0,0,0|1,0,0]=3 1932 B6R0.1 C#CC(O)CCC MCULE-6152066005 [0,2,0,0,0,0|1,0,0]=3 1933 B6R0.1 C#CCC(=O)OC MCULE-8097491486 [0,2,0,0,0,0|1,0,1]=4 1934 B6R0.1 C#CCC(C)CO MCULE-6139260605 [0,2,0,0,0,0|1,0,1]=4 1935 B6R0.1 C#CCC(C)NC MCULE-1501548827 [0,2,0,0,0,0|2,0,0]=4 1936 B6R0.1 C#CCC(C)NC MCULE-4715321546 [0,2,0,0,0,0|2,0,0]=4 1937 B6R0.1 C#CCC(N)CC MCULE-4259544439 [0,2,0,0,0,0|2,0,0]=4 1938 B6R0.1 C#CCC(N)CO MCULE-5669035635 [0,2,0,0,0,0|1,0,1]=4 1939 B6R0.1 C#CCC(O)CC MCULE-8783941008 [0,2,0,0,0,0|1,0,1]=4 1940 B6R0.1 C#CC[C@@H](N)CO MCULE-2638776426 [0,2,0,0,0,0|1,0,1]=4 1941 B6R0.1 C#CC[C@@H](N)CO MCULE-7710952185 [0,2,0,0,0,0|1,0,1]=4 1942 B6R0.1 C#CC[C@H](N)CO MCULE-8069295628 [0,2,0,0,0,0|1,0,1]=4 1943 B6R0.1 C#CC[C@H](N)CO MCULE-9440234580 [0,2,0,0,0,0|1,0,1]=4 1944 B6R0.1 C=C(CC)CCO MCULE-5317656776 [0,2,0,0,0,0|1,0,0]=3 1945 B6R0.1 C=C=CC(C)CO MCULE-4111632331 [0,2,0,0,0,0|1,0,1]=4 1946 B6R0.1 C=CC(=O)COC MCULE-1933195578 [0,2,0,0,0,0|0,0,2]=4 1947 B6R0.1 C=CC(C)CCC MCULE-2692803387 [0,2,0,0,0,0|2,0,0]=4 1948 B6R0.1 C=CC(C)CCO MCULE-2890369298 [0,2,0,0,0,0|1,0,0]=3 1949 B6R0.1 C=CC(N)CCO MCULE-7781906138 [0,2,0,0,0,0|1,0,1]=4 1950 B6R0.1 C=CC(N)COC MCULE-3217346081 [0,2,0,0,0,0|1,0,0]=3 1951 B6R0.1 C=CC(O)CC#N MCULE-2128554895 [0,2,0,0,0,0|2,0,0]=4 1952 B6R0.1 C=CC(O)CCC MCULE-3664453040 [0,2,0,0,0,0|1,0,0]=3 1953 B6R0.1 C=CC(O)CCN MCULE-9346205308 [0,2,0,0,0,0|2,0,0]=4 1954 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [0,2,0,0,0,0|1,0,1]=4 1955 B6R0.1 C=CCC(C)CC MCULE-8680856865 [0,2,0,0,0,0|2,0,0]=4 1956 B6R0.1 C=CCC(C)CO MCULE-9174943108 [0,2,0,0,0,0|1,0,1]=4 1957 B6R0.1 C=CCC(N)CC MCULE-2309097248 [0,2,0,0,0,0|2,0,0]=4 1958 B6R0.1 C=CCC(N)CC MCULE-8356954197 [0,2,0,0,0,0|2,0,0]=4 1959 B6R0.1 C=CCC(N)CO MCULE-3854217705 [0,2,0,0,0,0|1,0,1]=4 1960 B6R0.1 C=CCC(N)CO MCULE-6104194102 [0,2,0,0,0,0|1,0,1]=4 1961 B6R0.1 C=CCC(N)CO MCULE-6473126335 [0,2,0,0,0,0|1,0,1]=4 1962 B6R0.1 C=CCC(N)CO MCULE-8430673873 [0,2,0,0,0,0|1,0,1]=4 1963 B6R0.1 C=CCC(O)C=C MCULE-3803883413 [0,2,0,0,0,0|1,0,1]=4 1964 B6R0.1 C=CCC(O)CC MCULE-1497539816 [0,2,0,0,0,0|1,0,1]=4 1965 B6R0.1 C=CCC(O)CN MCULE-8237489732 [0,2,0,0,0,0|1,0,1]=4 1966 B6R0.1 C=CC[C@@H](N)CO MCULE-1869015815 [0,2,0,0,0,0|1,0,1]=4 1967 B6R0.1 C=CC[C@@H](N)CO MCULE-2792980070 [0,2,0,0,0,0|1,0,1]=4 1968 B6R0.1 C=CC[C@@H](N)CO MCULE-3168704187 [0,2,0,0,0,0|1,0,1]=4 1969 B6R0.1 C=CC[C@@H](N)CO MCULE-4796522209 [0,2,0,0,0,0|1,0,1]=4 1970 B6R0.1 C=CC[C@@H](O)CC MCULE-3259102701 [0,2,0,0,0,0|1,0,1]=4 1971 B6R0.1 C=CC[C@H](N)CO MCULE-2427943513 [0,2,0,0,0,0|1,0,1]=4 1972 B6R0.1 C=CC[C@H](N)CO MCULE-4244461120 [0,2,0,0,0,0|1,0,1]=4 1973 B6R0.1 C=CC[C@H](N)CO MCULE-6760610212 [0,2,0,0,0,0|1,0,1]=4 1974 B6R0.1 C=CC[C@H](N)CO MCULE-7914934929 [0,2,0,0,0,0|1,0,1]=4 1975 B6R0.1 C=CC[C@H](O)CC MCULE-6527977219 [0,2,0,0,0,0|1,0,1]=4 1976 B6R0.1 C=C[C@@H](O)CC#N MCULE-7370913372 [0,2,0,0,0,0|2,0,0]=4 1977 B6R0.1 CC#CC(O)CC MCULE-9870271888 [0,2,0,0,0,0|1,0,1]=4 1978 B6R0.1 CC(CN)CCN MCULE-2719332037 [0,2,0,0,0,0|2,0,0]=4 1979 B6R0.1 CC(CN)CCN MCULE-4200375624 [0,2,0,0,0,0|2,0,0]=4 1980 B6R0.1 CC(CN)CCO MCULE-5515163518 [0,2,0,0,0,0|1,0,0]=3 1981 B6R0.1 CC(CO)CCN MCULE-9900244005 [0,2,0,0,0,0|1,0,0]=3 1982 B6R0.1 CC(CO)CCO MCULE-5240961149 [0,2,0,0,0,0|1,0,0]=3 1983 B6R0.1 CC(CO)CCO MCULE-8678967805 [0,2,0,0,0,0|1,0,0]=3 1984 B6R0.1 CC=C[C@@H](N)CO MCULE-4690559736 [0,2,0,0,0,0|1,0,0]=3 1985 B6R0.1 CC=C[C@@H](N)CO MCULE-5852475953 [0,2,0,0,0,0|1,0,0]=3 1986 B6R0.1 CC=C[C@H](N)CO MCULE-6168992245 [0,2,0,0,0,0|1,0,0]=3 1987 B6R0.1 CC=C[C@H](N)CO MCULE-6971252398 [0,2,0,0,0,0|1,0,0]=3 1988 B6R0.1 CCC(=CCO)C MCULE-5264054153 [0,2,0,0,0,0|1,0,1]=4 1989 B6R0.1 CCC(=O)CNC MCULE-3030105640 [0,2,0,0,0,0|2,0,0]=4 1990 B6R0.1 CCC(=O)CNC MCULE-6945295017 [0,2,0,0,0,0|2,0,0]=4 1991 B6R0.1 CCC(=O)COC MCULE-1087802011 [0,2,0,0,0,0|1,0,0]=3 1992 B6R0.1 CCC(=O)CSC MCULE-3230433182 [0,2,0,0,0,0|1,1,0]=4 1993 B6R0.1 CCC(=O)NOC MCULE-4440074406 [0,2,0,0,0,0|1,0,1]=4 1994 B6R0.1 CCC(=O)OCCl MCULE-6975707373 [0,2,0,0,0,0|1,0,1]=4 1995 B6R0.1 CCC(Br)COC MCULE-7942540965 [0,2,0,0,0,0|1,0,0]=3 1996 B6R0.1 CCC(C)C=NO MCULE-2829500970 [0,2,0,0,0,0|1,0,1]=4 1997 B6R0.1 CCC(C)CC#N MCULE-8784266918 [0,2,0,0,0,0|2,0,0]=4 1998 B6R0.1 CCC(C)CC=O MCULE-9143756592 [0,2,0,0,0,0|1,0,1]=4 1999 B6R0.1 CCC(C)CCBr MCULE-6033010731 [0,2,0,0,0,0|2,0,0]=4 2000 B6R0.1 CCC(C)CCCl MCULE-2069721626 [0,2,0,0,0,0|2,0,0]=4 2001 B6R0.1 CCC(C)CCN MCULE-4140800594 [0,2,0,0,0,0|2,0,0]=4 2002 B6R0.1 CCC(C)CCN MCULE-5509248218 [0,2,0,0,0,0|2,0,0]=4 2003 B6R0.1 CCC(C)CCO MCULE-6482427735 [0,2,0,0,0,0|1,0,0]=3 2004 B6R0.1 CCC(C)CNC MCULE-1998406301 [0,2,0,0,0,0|2,0,0]=4 2005 B6R0.1 CCC(C)CNC MCULE-5957910094 [0,2,0,0,0,0|2,0,0]=4 2006 B6R0.1 CCC(C)CON MCULE-7033012303 [0,2,0,0,0,0|1,0,0]=3 2007 B6R0.1 CCC(C)OC=O MCULE-9361787208 [0,2,0,0,0,0|1,0,1]=4 2008 B6R0.1 CCC(N)CC#N MCULE-9550652690 [0,2,0,0,0,0|2,0,0]=4 2009 B6R0.1 CCC(N)CCN MCULE-8956610037 [0,2,0,0,0,0|2,0,0]=4 2010 B6R0.1 CCC(N)CCO MCULE-1511155206 [0,2,0,0,0,0|1,0,0]=3 2011 B6R0.1 CCC(N)CCO MCULE-5525302643 [0,2,0,0,0,0|1,0,0]=3 2012 B6R0.1 CCC(N)COC MCULE-2103613859 [0,2,0,0,0,0|1,0,0]=3 2013 B6R0.1 CCC(N)COC MCULE-5835446359 [0,2,0,0,0,0|1,0,0]=3 2014 B6R0.1 CCC(N)CSC MCULE-9145513729 [0,2,0,0,0,0|1,1,0]=4 2015 B6R0.1 CCC(O)CC#N MCULE-2542710031 [0,2,0,0,0,0|2,0,0]=4 2016 B6R0.1 CCC(O)CCN MCULE-5387303971 [0,2,0,0,0,0|2,0,0]=4 2017 B6R0.1 CCC(O)CCO MCULE-5156075792 [0,2,0,0,0,0|1,0,0]=3 2018 B6R0.1 CCC(O)CNC MCULE-2490431367 [0,2,0,0,0,0|1,0,0]=3 2019 B6R0.1 CCC(O)CNN MCULE-1038166714 [0,2,0,0,0,0|2,0,0]=4 2020 B6R0.1 CCC(O)CNN MCULE-6391104058 [0,2,0,0,0,0|2,0,0]=4 2021 B6R0.1 CCC(O)COC MCULE-6751000060 [0,2,0,0,0,0|0,0,0]=2 2022 B6R0.1 CCC(O)CSC MCULE-3582683720 [0,2,0,0,0,0|0,1,0]=3 2023 B6R0.1 CCC(S)CCO MCULE-4193788852 [0,2,0,0,0,0|1,0,0]=3 2024 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [0,2,0,0,0,0|1,0,1]=4 2025 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [0,2,0,0,0,0|1,0,1]=4 2026 B6R0.1 CCCC(=NO)C MCULE-6437787263 [0,2,0,0,0,0|1,0,1]=4 2027 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [0,2,0,0,0,0|2,0,0]=4 2028 B6R0.1 CCCC(=O)CC MCULE-7121523805 [0,2,0,0,0,0|2,0,0]=4 2029 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [0,2,0,0,0,0|2,0,0]=4 2030 B6R0.1 CCCC(=O)CN MCULE-4663263123 [0,2,0,0,0,0|2,0,0]=4 2031 B6R0.1 CCCC(=O)CN MCULE-6326368932 [0,2,0,0,0,0|2,0,0]=4 2032 B6R0.1 CCCC(=O)CO MCULE-6518249412 [0,2,0,0,0,0|1,0,0]=3 2033 B6R0.1 CCCC(=O)NC MCULE-5770149071 [0,2,0,0,0,0|2,0,0]=4 2034 B6R0.1 CCCC(=O)NO MCULE-8710375368 [0,2,0,0,0,0|1,0,1]=4 2035 B6R0.1 CCCC(=O)OC MCULE-1092030267 [0,2,0,0,0,0|1,0,0]=3 2036 B6R0.1 CCCC(=O)SC MCULE-1490654381 [0,2,0,0,0,0|1,1,0]=4 2037 B6R0.1 CCCC(=S)OC MCULE-8125476093 [0,2,0,0,0,0|1,0,0]=3 2038 B6R0.1 CCCC(Br)CC MCULE-9116433502 [0,2,0,0,0,0|2,0,0]=4 2039 B6R0.1 CCCC(C)C#N MCULE-2492294131 [0,2,0,0,0,0|2,0,0]=4 2040 B6R0.1 CCCC(C)C=O MCULE-9756444218 [0,2,0,0,0,0|1,0,1]=4 2041 B6R0.1 CCCC(C)CBr MCULE-3437352091 [0,2,0,0,0,0|2,0,0]=4 2042 B6R0.1 CCCC(C)CC MCULE-7082933967 [0,2,0,0,0,0|2,0,0]=4 2043 B6R0.1 CCCC(C)CCl MCULE-2381010454 [0,2,0,0,0,0|2,0,0]=4 2044 B6R0.1 CCCC(C)CN MCULE-9552289739 [0,2,0,0,0,0|2,0,0]=4 2045 B6R0.1 CCCC(C)CO MCULE-9777250826 [0,2,0,0,0,0|1,0,0]=3 2046 B6R0.1 CCCC(C)NC MCULE-1560121168 [0,2,0,0,0,0|2,0,0]=4 2047 B6R0.1 CCCC(C)NC MCULE-2169396338 [0,2,0,0,0,0|2,0,0]=4 2048 B6R0.1 CCCC(Cl)CC MCULE-1581617529 [0,2,0,0,0,0|2,0,0]=4 2049 B6R0.1 CCCC(Cl)CCl MCULE-9464139069 [0,2,0,0,0,0|2,0,0]=4 2050 B6R0.1 CCCC(N)C#N MCULE-6830545935 [0,2,0,0,0,0|2,0,0]=4 2051 B6R0.1 CCCC(N)C#N MCULE-9818121096 [0,2,0,0,0,0|2,0,0]=4 2052 B6R0.1 CCCC(N)CC MCULE-5349906741 [0,2,0,0,0,0|2,0,0]=4 2053 B6R0.1 CCCC(N)CC MCULE-7172418373 [0,2,0,0,0,0|2,0,0]=4 2054 B6R0.1 CCCC(N)CN MCULE-8606218569 [0,2,0,0,0,0|2,0,0]=4 2055 B6R0.1 CCCC(N)CO MCULE-3404967504 [0,2,0,0,0,0|1,0,0]=3 2056 B6R0.1 CCCC(N)CO MCULE-3802448518 [0,2,0,0,0,0|1,0,0]=3 2057 B6R0.1 CCCC(N)CO MCULE-4259078445 [0,2,0,0,0,0|1,0,0]=3 2058 B6R0.1 CCCC(N)CO MCULE-6425025734 [0,2,0,0,0,0|1,0,0]=3 2059 B6R0.1 CCCC(O)C#N MCULE-7017059503 [0,2,0,0,0,0|1,0,0]=3 2060 B6R0.1 CCCC(O)CBr MCULE-5186252424 [0,2,0,0,0,0|1,0,0]=3 2061 B6R0.1 CCCC(O)CC MCULE-9504041935 [0,2,0,0,0,0|1,0,0]=3 2062 B6R0.1 CCCC(O)CCl MCULE-4737360217 [0,2,0,0,0,0|1,0,0]=3 2063 B6R0.1 CCCC(O)CN MCULE-9402934997 [0,2,0,0,0,0|1,0,0]=3 2064 B6R0.1 CCCC(O)CO MCULE-5124107719 [0,2,0,0,0,0|1,0,0]=3 2065 B6R0.1 CCCC(S)CC MCULE-1322481338 [0,2,0,0,0,0|1,1,0]=4 2066 B6R0.1 CCC[C@@H](N)CF MCULE-4702552251 [0,2,0,0,0,0|2,0,0]=4 2067 B6R0.1 CCC[C@@H](N)CF MCULE-8118043624 [0,2,0,0,0,0|2,0,0]=4 2068 B6R0.1 CCC[C@@H](N)CO MCULE-3684308356 [0,2,0,0,0,0|1,0,0]=3 2069 B6R0.1 CCC[C@@H](N)CO MCULE-4573401915 [0,2,0,0,0,0|1,0,0]=3 2070 B6R0.1 CCC[C@@H](N)CO MCULE-5502830670 [0,2,0,0,0,0|1,0,0]=3 2071 B6R0.1 CCC[C@@H](O)CC MCULE-7377135785 [0,2,0,0,0,0|1,0,0]=3 2072 B6R0.1 CCC[C@H](N)CF MCULE-7192744944 [0,2,0,0,0,0|2,0,0]=4 2073 B6R0.1 CCC[C@H](N)CF MCULE-7441387613 [0,2,0,0,0,0|2,0,0]=4 2074 B6R0.1 CCC[C@H](N)CO MCULE-4293730307 [0,2,0,0,0,0|1,0,0]=3 2075 B6R0.1 CCC[C@H](N)CO MCULE-5185063577 [0,2,0,0,0,0|1,0,0]=3 2076 B6R0.1 CCC[C@H](N)CO MCULE-5836622975 [0,2,0,0,0,0|1,0,0]=3 2077 B6R0.1 CCC[C@H](N)CO MCULE-7340014196 [0,2,0,0,0,0|1,0,0]=3 2078 B6R0.1 CCC[C@H](O)CC MCULE-2229025348 [0,2,0,0,0,0|1,0,0]=3 2079 B6R0.1 CCN(C)CCCl MCULE-4264927085 [0,2,0,0,0,0|2,0,0]=4 2080 B6R0.1 CCN(C)CCCl MCULE-8125659652 [0,2,0,0,0,0|2,0,0]=4 2081 B6R0.1 CCN(C)CCN MCULE-9503910262 [0,2,0,0,0,0|2,0,0]=4 2082 B6R0.1 CCN(C)CCO MCULE-5519271145 [0,2,0,0,0,0|1,0,0]=3 2083 B6R0.1 CCN(C)CCS MCULE-9974758531 [0,2,0,0,0,0|1,1,0]=4 2084 B6R0.1 CCN(N)CCO MCULE-7988723724 [0,2,0,0,0,0|1,0,0]=3 2085 B6R0.1 CCNC(=O)CO MCULE-1386307800 [0,2,0,0,0,0|1,0,1]=4 2086 B6R0.1 CCNC(=O)OC MCULE-7110705188 [0,2,0,0,0,0|1,0,1]=4 2087 B6R0.1 CCNC(C)CC MCULE-1017617081 [0,2,0,0,0,0|2,0,0]=4 2088 B6R0.1 CCNC(C)CC MCULE-2691229640 [0,2,0,0,0,0|2,0,0]=4 2089 B6R0.1 CCNC(C)CO MCULE-4344397973 [0,2,0,0,0,0|1,0,0]=3 2090 B6R0.1 CCN[C@@H](C)CO MCULE-5648721449 [0,2,0,0,0,0|1,0,0]=3 2091 B6R0.1 CCN[C@H](C)CO MCULE-8047465405 [0,2,0,0,0,0|1,0,0]=3 2092 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [0,2,0,0,0,0|1,0,1]=4 2093 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [0,2,0,0,0,0|1,0,1]=4 2094 B6R0.1 CCOC(=N)CC MCULE-4645506860 [0,2,0,0,0,0|1,0,1]=4 2095 B6R0.1 CCOC(=N)CC MCULE-9526837631 [0,2,0,0,0,0|1,0,1]=4 2096 B6R0.1 CCOC(=N)CCl MCULE-6291047852 [0,2,0,0,0,0|1,0,1]=4 2097 B6R0.1 CCOC(=N)CCl MCULE-9207251975 [0,2,0,0,0,0|1,0,1]=4 2098 B6R0.1 CCOC(=NO)C MCULE-6964305821 [0,2,0,0,0,0|1,0,1]=4 2099 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [0,2,0,0,0,0|1,0,1]=4 2100 B6R0.1 CCOC(=O)CC MCULE-1639864693 [0,2,0,0,0,0|1,0,1]=4 2101 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [0,2,0,0,0,0|1,0,1]=4 2102 B6R0.1 CCOC(=O)CF MCULE-1926097423 [0,2,0,0,0,0|1,0,1]=4 2103 B6R0.1 CCOC(=O)CI MCULE-9898762324 [0,2,0,0,0,0|1,0,1]=4 2104 B6R0.1 CCOC(=O)CN MCULE-2185173056 [0,2,0,0,0,0|1,0,1]=4 2105 B6R0.1 CCOC(=O)CN MCULE-2628607025 [0,2,0,0,0,0|1,0,1]=4 2106 B6R0.1 CCOC(=O)CO MCULE-8121340151 [0,2,0,0,0,0|0,0,1]=3 2107 B6R0.1 CCOC(=O)CS MCULE-3354026239 [0,2,0,0,0,0|0,1,1]=4 2108 B6R0.1 CCOC(=O)NO MCULE-4701193610 [0,2,0,0,0,0|1,0,1]=4 2109 B6R0.1 CCOC(=O)OC MCULE-1185162684 [0,2,0,0,0,0|1,0,1]=4 2110 B6R0.1 CCOC(C)CC MCULE-5049998907 [0,2,0,0,0,0|1,0,0]=3 2111 B6R0.1 CCOC(C)CN MCULE-2322112215 [0,2,0,0,0,0|1,0,0]=3 2112 B6R0.1 CCOC(C)CN MCULE-7307949125 [0,2,0,0,0,0|1,0,0]=3 2113 B6R0.1 CCOC(C)CO MCULE-1592146913 [0,2,0,0,0,0|0,0,0]=2 2114 B6R0.1 CCOC(Cl)CCl MCULE-2309448343 [0,2,0,0,0,0|1,0,0]=3 2115 B6R0.1 CCOS(=O)CC MCULE-4858180441 [0,2,0,0,0,0|2,0,0]=4 2116 B6R0.1 CCS(=O)CCCl MCULE-1910591721 [0,2,0,0,0,0|1,1,0]=4 2117 B6R0.1 CCS(=O)CCN MCULE-7201812983 [0,2,0,0,0,0|1,1,0]=4 2118 B6R0.1 CCS(=O)CCN MCULE-7831905163 [0,2,0,0,0,0|1,1,0]=4 2119 B6R0.1 CCS(=O)CCO MCULE-8290368918 [0,2,0,0,0,0|0,1,0]=3 2120 B6R0.1 CC[C@@H](N)CC#N MCULE-3694594576 [0,2,0,0,0,0|2,0,0]=4 2121 B6R0.1 CC[C@@H](N)CC#N MCULE-9083117229 [0,2,0,0,0,0|2,0,0]=4 2122 B6R0.1 CC[C@@H](N)COC MCULE-2231338404 [0,2,0,0,0,0|1,0,0]=3 2123 B6R0.1 CC[C@@H](N)COC MCULE-2931188781 [0,2,0,0,0,0|1,0,0]=3 2124 B6R0.1 CC[C@@H](N)COC MCULE-5773677141 [0,2,0,0,0,0|1,0,0]=3 2125 B6R0.1 CC[C@@H](N)COC MCULE-5939905142 [0,2,0,0,0,0|1,0,0]=3 2126 B6R0.1 CC[C@@H](O)CC#N MCULE-5921416613 [0,2,0,0,0,0|2,0,0]=4 2127 B6R0.1 CC[C@@H](O)CC#N MCULE-8527710778 [0,2,0,0,0,0|2,0,0]=4 2128 B6R0.1 CC[C@H](C)CCO MCULE-1190203828 [0,2,0,0,0,0|1,0,0]=3 2129 B6R0.1 CC[C@H](C)CCO MCULE-8460710173 [0,2,0,0,0,0|1,0,0]=3 2130 B6R0.1 CC[C@H](N)CC#N MCULE-9692545503 [0,2,0,0,0,0|2,0,0]=4 2131 B6R0.1 CC[C@H](N)COC MCULE-1115072226 [0,2,0,0,0,0|1,0,0]=3 2132 B6R0.1 CC[C@H](N)COC MCULE-3917835289 [0,2,0,0,0,0|1,0,0]=3 2133 B6R0.1 CC[C@H](N)COC MCULE-8706423122 [0,2,0,0,0,0|1,0,0]=3 2134 B6R0.1 CC[C@H](N)COC MCULE-9406311547 [0,2,0,0,0,0|1,0,0]=3 2135 B6R0.1 CN(C=O)CCO MCULE-3588371476 [0,2,0,0,0,0|1,0,0]=3 2136 B6R0.1 CN(CCO)N=O MCULE-3975606321 [0,2,0,0,0,0|1,0,0]=3 2137 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [0,2,0,0,0,0|2,0,0]=4 2138 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [0,2,0,0,0,0|2,0,0]=4 2139 B6R0.1 CNC(=O)CCN MCULE-1374127264 [0,2,0,0,0,0|2,0,0]=4 2140 B6R0.1 CNC(=O)CCN MCULE-3948893656 [0,2,0,0,0,0|2,0,0]=4 2141 B6R0.1 CNC(=O)CCO MCULE-3222339741 [0,2,0,0,0,0|1,0,0]=3 2142 B6R0.1 CNC(=O)CCS MCULE-2385806944 [0,2,0,0,0,0|1,1,0]=4 2143 B6R0.1 CNC(=O)CON MCULE-6451598359 [0,2,0,0,0,0|1,0,1]=4 2144 B6R0.1 CNC(=O)CON MCULE-8743298594 [0,2,0,0,0,0|1,0,1]=4 2145 B6R0.1 CNC(=S)NCO MCULE-2829573844 [0,2,0,0,0,0|1,0,1]=4 2146 B6R0.1 CNC(C)CC#N MCULE-3748387165 [0,2,0,0,0,0|2,0,0]=4 2147 B6R0.1 CNC(C)CCO MCULE-4722422254 [0,2,0,0,0,0|1,0,0]=3 2148 B6R0.1 CNC(C)COC MCULE-6864731576 [0,2,0,0,0,0|1,0,0]=3 2149 B6R0.1 CNC(C)COC MCULE-9135013355 [0,2,0,0,0,0|1,0,0]=3 2150 B6R0.1 CNC(C)CSC MCULE-8293407208 [0,2,0,0,0,0|1,1,0]=4 2151 B6R0.1 CNCC(=O)OC MCULE-1667683926 [0,2,0,0,0,0|1,0,1]=4 2152 B6R0.1 CNCC(=O)OC MCULE-5530863658 [0,2,0,0,0,0|1,0,1]=4 2153 B6R0.1 CNCC(C)C#N MCULE-1673067512 [0,2,0,0,0,0|2,0,0]=4 2154 B6R0.1 CNCC(C)CN MCULE-1889673811 [0,2,0,0,0,0|2,0,0]=4 2155 B6R0.1 CNCC(C)CO MCULE-6329429747 [0,2,0,0,0,0|1,0,0]=3 2156 B6R0.1 CNCC(C)OC MCULE-6977139114 [0,2,0,0,0,0|1,0,0]=3 2157 B6R0.1 CNCC(C)OC MCULE-8216810034 [0,2,0,0,0,0|1,0,0]=3 2158 B6R0.1 CNCC(O)CF MCULE-3368370486 [0,2,0,0,0,0|1,0,0]=3 2159 B6R0.1 CNCC(O)CN MCULE-1077260629 [0,2,0,0,0,0|1,0,0]=3 2160 B6R0.1 CNCC(O)CO MCULE-4566952448 [0,2,0,0,0,0|1,0,0]=3 2161 B6R0.1 CNC[C@H](O)CO MCULE-3410453252 [0,2,0,0,0,0|1,0,0]=3 2162 B6R0.1 CNN(C)CCN MCULE-3863653213 [0,2,0,0,0,0|2,0,0]=4 2163 B6R0.1 COC(=N)CC#N MCULE-1828487034 [0,2,0,0,0,0|1,0,1]=4 2164 B6R0.1 COC(=N)CC#N MCULE-5000327296 [0,2,0,0,0,0|1,0,1]=4 2165 B6R0.1 COC(=N)CCCl MCULE-1997539408 [0,2,0,0,0,0|1,0,0]=3 2166 B6R0.1 COC(=N)CCCl MCULE-2235564076 [0,2,0,0,0,0|1,0,0]=3 2167 B6R0.1 COC(=N)CCO MCULE-1904978557 [0,2,0,0,0,0|0,0,0]=2 2168 B6R0.1 COC(=N)CCO MCULE-8146089973 [0,2,0,0,0,0|0,0,0]=2 2169 B6R0.1 COC(=O)CC#N MCULE-2699345092 [0,2,0,0,0,0|1,0,1]=4 2170 B6R0.1 COC(=O)CC=O MCULE-6624474559 [0,2,0,0,0,0|0,0,2]=4 2171 B6R0.1 COC(=O)CCBr MCULE-3565567444 [0,2,0,0,0,0|1,0,0]=3 2172 B6R0.1 COC(=O)CCCl MCULE-5034007224 [0,2,0,0,0,0|1,0,0]=3 2173 B6R0.1 COC(=O)CCI MCULE-5984806612 [0,2,0,0,0,0|1,0,0]=3 2174 B6R0.1 COC(=O)CCN MCULE-2306060188 [0,2,0,0,0,0|1,0,0]=3 2175 B6R0.1 COC(=O)CCN MCULE-8245275833 [0,2,0,0,0,0|1,0,0]=3 2176 B6R0.1 COC(=O)CCO MCULE-8538834260 [0,2,0,0,0,0|0,0,0]=2 2177 B6R0.1 COC(=O)CCS MCULE-1695345183 [0,2,0,0,0,0|0,1,0]=3 2178 B6R0.1 COC(=O)CNN MCULE-3287579794 [0,2,0,0,0,0|1,0,1]=4 2179 B6R0.1 COC(=O)CNN MCULE-3838874166 [0,2,0,0,0,0|1,0,1]=4 2180 B6R0.1 COC(=O)CON MCULE-4799038238 [0,2,0,0,0,0|0,0,1]=3 2181 B6R0.1 COC(=O)CSC MCULE-6735536033 [0,2,0,0,0,0|0,1,1]=4 2182 B6R0.1 COC(=O)OCCl MCULE-7856529986 [0,2,0,0,0,0|1,0,1]=4 2183 B6R0.1 COC(=O)OCF MCULE-4705008675 [0,2,0,0,0,0|1,0,1]=4 2184 B6R0.1 COC(=O)OCI MCULE-8692720175 [0,2,0,0,0,0|1,0,1]=4 2185 B6R0.1 COC(C)CC=O MCULE-7243333697 [0,2,0,0,0,0|0,0,1]=3 2186 B6R0.1 COC(C)CCN MCULE-8081876282 [0,2,0,0,0,0|1,0,0]=3 2187 B6R0.1 COC(C)CCN MCULE-8892057529 [0,2,0,0,0,0|1,0,0]=3 2188 B6R0.1 COC(C)CCO MCULE-7396381165 [0,2,0,0,0,0|0,0,0]=2 2189 B6R0.1 COC/C(=N/O)/N MCULE-8214035702 [0,2,0,0,0,0|0,0,1]=3 2190 B6R0.1 COCC(=N)OC MCULE-2350779439 [0,2,0,0,0,0|0,0,1]=3 2191 B6R0.1 COCC(=N)OC MCULE-7810421458 [0,2,0,0,0,0|0,0,1]=3 2192 B6R0.1 COCC(=O)CCl MCULE-7542636020 [0,2,0,0,0,0|1,0,0]=3 2193 B6R0.1 COCC(=O)NN MCULE-4127487886 [0,2,0,0,0,0|0,0,2]=4 2194 B6R0.1 COCC(=O)OC MCULE-8337685268 [0,2,0,0,0,0|0,0,1]=3 2195 B6R0.1 COCC(C)C#N MCULE-2978497753 [0,2,0,0,0,0|1,0,0]=3 2196 B6R0.1 COCC(C)C=O MCULE-7679332713 [0,2,0,0,0,0|0,0,1]=3 2197 B6R0.1 COCC(C)CN MCULE-3223901774 [0,2,0,0,0,0|1,0,0]=3 2198 B6R0.1 COCC(C)CO MCULE-7663064542 [0,2,0,0,0,0|0,0,0]=2 2199 B6R0.1 COCC(C)OC MCULE-1583498700 [0,2,0,0,0,0|0,0,0]=2 2200 B6R0.1 COCC(Cl)C#N MCULE-3128136686 [0,2,0,0,0,0|1,0,0]=3 2201 B6R0.1 COCC(F)CN MCULE-2821685967 [0,2,0,0,0,0|1,0,0]=3 2202 B6R0.1 COCC(F)CN MCULE-9691951401 [0,2,0,0,0,0|1,0,0]=3 2203 B6R0.1 COCC(N)C#N MCULE-4816557518 [0,2,0,0,0,0|1,0,0]=3 2204 B6R0.1 COCC(N)CN MCULE-1244199319 [0,2,0,0,0,0|1,0,0]=3 2205 B6R0.1 COCC(N)CO MCULE-2141613120 [0,2,0,0,0,0|0,0,0]=2 2206 B6R0.1 COCC(N)CO MCULE-3194232042 [0,2,0,0,0,0|0,0,0]=2 2207 B6R0.1 COCC(N)CO MCULE-6545937769 [0,2,0,0,0,0|0,0,0]=2 2208 B6R0.1 COCC(N)CO MCULE-7989665777 [0,2,0,0,0,0|0,0,0]=2 2209 B6R0.1 COCC(O)C#N MCULE-2148015888 [0,2,0,0,0,0|0,0,0]=2 2210 B6R0.1 COCC(O)CBr MCULE-6900294714 [0,2,0,0,0,0|0,0,0]=2 2211 B6R0.1 COCC(O)CCl MCULE-9314630227 [0,2,0,0,0,0|0,0,0]=2 2212 B6R0.1 COCC(O)CF MCULE-1938415887 [0,2,0,0,0,0|0,0,0]=2 2213 B6R0.1 COCC(O)CN MCULE-2044547388 [0,2,0,0,0,0|0,0,0]=2 2214 B6R0.1 COCC(O)CN MCULE-2145726384 [0,2,0,0,0,0|0,0,0]=2 2215 B6R0.1 COCC(O)CN MCULE-3637597204 [0,2,0,0,0,0|0,0,0]=2 2216 B6R0.1 COCC(O)CO MCULE-1154104224 [0,2,0,0,0,0|0,0,0]=2 2217 B6R0.1 COC[C@@H](N)CO MCULE-2792470078 [0,2,0,0,0,0|0,0,0]=2 2218 B6R0.1 COC[C@@H](N)CO MCULE-3805343572 [0,2,0,0,0,0|0,0,0]=2 2219 B6R0.1 COC[C@@H](N)CO MCULE-7953239910 [0,2,0,0,0,0|0,0,0]=2 2220 B6R0.1 COC[C@@H](N)CO MCULE-9178553914 [0,2,0,0,0,0|0,0,0]=2 2221 B6R0.1 COC[C@@H](O)CN MCULE-2116679841 [0,2,0,0,0,0|0,0,0]=2 2222 B6R0.1 COC[C@@H](O)CN MCULE-4198842123 [0,2,0,0,0,0|0,0,0]=2 2223 B6R0.1 COC[C@@H](O)CN MCULE-6330998296 [0,2,0,0,0,0|0,0,0]=2 2224 B6R0.1 COC[C@H](C)CO MCULE-3120475252 [0,2,0,0,0,0|0,0,0]=2 2225 B6R0.1 COC[C@H](F)CN MCULE-2663238018 [0,2,0,0,0,0|1,0,0]=3 2226 B6R0.1 COC[C@H](N)CO MCULE-1678153673 [0,2,0,0,0,0|0,0,0]=2 2227 B6R0.1 COC[C@H](N)CO MCULE-2304967280 [0,2,0,0,0,0|0,0,0]=2 2228 B6R0.1 COC[C@H](N)CO MCULE-6509090198 [0,2,0,0,0,0|0,0,0]=2 2229 B6R0.1 COC[C@H](N)CO MCULE-9806530206 [0,2,0,0,0,0|0,0,0]=2 2230 B6R0.1 COC[C@H](O)CN MCULE-1962346446 [0,2,0,0,0,0|0,0,0]=2 2231 B6R0.1 COC[C@H](O)CN MCULE-6290984425 [0,2,0,0,0,0|0,0,0]=2 2232 B6R0.1 CON(C)CCN MCULE-9318319159 [0,2,0,0,0,0|1,0,0]=3 2233 B6R0.1 CONC(=O)OC MCULE-9304532248 [0,2,0,0,0,0|1,0,1]=4 2234 B6R0.1 CSC(C)CC=O MCULE-9433914892 [0,2,0,0,0,0|0,1,1]=4 2235 B6R0.1 CSC(C)CCN MCULE-5474458753 [0,2,0,0,0,0|1,1,0]=4 2236 B6R0.1 CSC(C)CCO MCULE-4317600086 [0,2,0,0,0,0|0,1,0]=3 2237 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [0,2,0,0,0,0|0,1,1]=4 2238 B6R0.1 CSCC(C)CN MCULE-4493405290 [0,2,0,0,0,0|1,1,0]=4 2239 B6R0.1 CSCC(C)CO MCULE-3842820579 [0,2,0,0,0,0|0,1,0]=3 2240 B6R0.1 CSCC(O)CO MCULE-6573013078 [0,2,0,0,0,0|0,1,0]=3 2241 B6R0.1 C[C@@H](CO)CCN MCULE-4422620011 [0,2,0,0,0,0|1,0,0]=3 2242 B6R0.1 C[C@@H](CO)CCN MCULE-7560169391 [0,2,0,0,0,0|1,0,0]=3 2243 B6R0.1 C[C@@H](CO)CCO MCULE-6545491289 [0,2,0,0,0,0|1,0,0]=3 2244 B6R0.1 C[C@H](CO)CCO MCULE-2543010074 [0,2,0,0,0,0|1,0,0]=3 2245 B6R0.1 C[C@H](CO)CCO MCULE-6036462418 [0,2,0,0,0,0|1,0,0]=3 2246 B6R0.1 ClCC(Cl)CCBr MCULE-2469656567 [0,2,0,0,0,0|2,0,0]=4 2247 B6R0.1 FC(CBr)CCBr MCULE-2311323533 [0,2,0,0,0,0|2,0,0]=4 2248 B6R0.1 N#CCC(O)CCl MCULE-8450875181 [0,2,0,0,0,0|2,0,0]=4 2249 B6R0.1 N#CCC(O)CCl MCULE-8948452380 [0,2,0,0,0,0|2,0,0]=4 2250 B6R0.1 N#CC[C@@H](O)CCl MCULE-6554781206 [0,2,0,0,0,0|2,0,0]=4 2251 B6R0.1 N#CC[C@@H](O)CCl MCULE-7510135915 [0,2,0,0,0,0|2,0,0]=4 2252 B6R0.1 N#CC[C@H](O)CCl MCULE-4155359829 [0,2,0,0,0,0|2,0,0]=4 2253 B6R0.1 N#CC[C@H](O)CCl MCULE-9172368545 [0,2,0,0,0,0|2,0,0]=4 2254 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [0,2,0,0,0,0|2,0,0]=4 2255 B6R0.1 NC(CO)CCF MCULE-3691993352 [0,2,0,0,0,0|1,0,0]=3 2256 B6R0.1 NC(CO)CCO MCULE-3703088648 [0,2,0,0,0,0|1,0,0]=3 2257 B6R0.1 NC(CO)CCO MCULE-7609576462 [0,2,0,0,0,0|1,0,0]=3 2258 B6R0.1 NCC(N)CCO MCULE-2965554481 [0,2,0,0,0,0|1,0,0]=3 2259 B6R0.1 NCCC(=O)CN MCULE-3906468943 [0,2,0,0,0,0|2,0,0]=4 2260 B6R0.1 NCCC(=O)CN MCULE-9593243702 [0,2,0,0,0,0|2,0,0]=4 2261 B6R0.1 NCCC(F)CN MCULE-9478589176 [0,2,0,0,0,0|2,0,0]=4 2262 B6R0.1 NCCC(O)CN MCULE-9177974477 [0,2,0,0,0,0|2,0,0]=4 2263 B6R0.1 NCCC(O)CO MCULE-2556586168 [0,2,0,0,0,0|1,0,0]=3 2264 B6R0.1 NNC(=O)CCO MCULE-6184351353 [0,2,0,0,0,0|2,0,0]=4 2265 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [0,2,0,0,0,0|1,0,0]=3 2266 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [0,2,0,0,0,0|1,0,0]=3 2267 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [0,2,0,0,0,0|1,0,0]=3 2268 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [0,2,0,0,0,0|1,0,0]=3 2269 B6R0.1 N[C@H](CS)CCS MCULE-5846021725 [0,2,0,0,0,0|1,1,0]=4 2270 B6R0.1 N[C@H](CS)CCS MCULE-6871313350 [0,2,0,0,0,0|1,1,0]=4 2271 B6R0.1 N[C@H](CS)CCS MCULE-8095554848 [0,2,0,0,0,0|1,1,0]=4 2272 B6R0.1 N[C@H](CS)CCS MCULE-8177349504 [0,2,0,0,0,0|1,1,0]=4 2273 B6R0.1 O=C(CCl)CCCl MCULE-6460902474 [0,2,0,0,0,0|2,0,0]=4 2274 B6R0.1 O=C(CCl)NCO MCULE-9960585064 [0,2,0,0,0,0|2,0,0]=4 2275 B6R0.1 O=CC[C@H](O)CCl MCULE-6385696769 [0,2,0,0,0,0|2,0,0]=4 2276 B6R0.1 OC(CBr)CCBr MCULE-5156583342 [0,2,0,0,0,0|2,0,0]=4 2277 B6R0.1 OC(CCl)CCCl MCULE-5495327725 [0,2,0,0,0,0|2,0,0]=4 2278 B6R0.1 OCCC(O)CCl MCULE-4752952606 [0,2,0,0,0,0|1,0,0]=3 2279 B6R0.1 OCCC(O)CO MCULE-6470178852 [0,2,0,0,0,0|1,0,0]=3 2280 B6R0.1 OCC[C@@H](Br)CO MCULE-4859199629 [0,2,0,0,0,0|1,0,0]=3 2281 B6R0.1 OCC[C@@H](O)CO MCULE-2312093276 [0,2,0,0,0,0|1,0,0]=3 2282 B6R0.1 OCC[C@@H](O)CO MCULE-4636748782 [0,2,0,0,0,0|1,0,0]=3 2283 B6R0.1 OCC[C@H](O)CBr MCULE-1990035925 [0,2,0,0,0,0|1,0,0]=3 2284 B6R0.1 OCC[C@H](O)CCl MCULE-4561806159 [0,2,0,0,0,0|1,0,0]=3 2285 B6R0.1 OCC[C@H](O)CCl MCULE-8582759529 [0,2,0,0,0,0|1,0,0]=3 2286 B6R0.1 OCC[C@H](O)CO MCULE-2265914374 [0,2,0,0,0,0|1,0,0]=3 2287 B6R0.1 OCC[C@H](O)CO MCULE-5459838421 [0,2,0,0,0,0|1,0,0]=3 2288 B6R0.1 O[C@@H](CBr)CCBr MCULE-2137750043 [0,2,0,0,0,0|2,0,0]=4 2289 B6R0.1 O[C@H](CBr)CCBr MCULE-2647046297 [0,2,0,0,0,0|2,0,0]=4 2290 B6R0.1 O[C@H](CBr)CCBr MCULE-5662911918 [0,2,0,0,0,0|2,0,0]=4 2291 B6R0.1 [C@@H](N)(CC)CC#N MCULE-3832898190 [0,2,0,0,0,0|2,0,0]=4 2292 B6R0.1 [C@H](N)(CC)CC#N MCULE-3962570164 [0,2,0,0,0,0|2,0,0]=4 2293 B6R0.1 [NH3+]CCC(F)C[NH3+] MCULE-8320233584 [0,2,0,0,0,0|2,0,0]=4 2294 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,2,0,0,0,0|1,0,1]=4 2295 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [0,2,0,0,0,0|2,0,0]=4 2296 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,2,0,0,0,0|1,0,0]=3 2297 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,2,0,0,0,0|1,0,0]=3 2298 B6R0.2 CC(=CC(C)O)C MCULE-5270694894 [0,2,0,0,0,0|1,0,1]=4 2299 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,2,0,0,0,0|1,0,1]=4 2300 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,2,0,0,0,0|2,0,0]=4 2301 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,2,0,0,0,0|2,0,0]=4 2302 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,2,0,0,0,0|2,0,0]=4 2303 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,2,0,0,0,0|1,0,0]=3 2304 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,2,0,0,0,0|2,0,0]=4 2305 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,2,0,0,0,0|2,0,0]=4 2306 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,2,0,0,0,0|1,0,1]=4 2307 B6R0.2 CC(Br)CC(C)Br MCULE-1139583334 [0,2,0,0,0,0|2,0,0]=4 2308 B6R0.2 CC(C)CB(O)O MCULE-9748327681 [0,2,0,0,0,0|2,0,0]=4 2309 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,2,0,0,0,0|1,0,1]=4 2310 B6R0.2 CC(C)CC(C)Br MCULE-1549882864 [0,2,0,0,0,0|2,0,0]=4 2311 B6R0.2 CC(C)CC(C)C MCULE-1646863110 [0,2,0,0,0,0|2,0,0]=4 2312 B6R0.2 CC(C)CC(C)I MCULE-6965017338 [0,2,0,0,0,0|2,0,0]=4 2313 B6R0.2 CC(C)CC(C)N MCULE-1144229692 [0,2,0,0,0,0|2,0,0]=4 2314 B6R0.2 CC(C)CC(C)N MCULE-5992377656 [0,2,0,0,0,0|2,0,0]=4 2315 B6R0.2 CC(C)CC(C)O MCULE-9223768698 [0,2,0,0,0,0|1,0,0]=3 2316 B6R0.2 CC(C)C[C@@H](C)N MCULE-5902933285 [0,2,0,0,0,0|2,0,0]=4 2317 B6R0.2 CC(C)C[C@@H](C)N MCULE-7208228535 [0,2,0,0,0,0|2,0,0]=4 2318 B6R0.2 CC(C)C[C@@H](C)O MCULE-3150675602 [0,2,0,0,0,0|1,0,0]=3 2319 B6R0.2 CC(C)C[C@@H](C)O MCULE-4011042896 [0,2,0,0,0,0|1,0,0]=3 2320 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,2,0,0,0,0|1,0,1]=4 2321 B6R0.2 CC(Cl)CN(C)C MCULE-6738916847 [0,2,0,0,0,0|2,0,0]=4 2322 B6R0.2 CC(Cl)CN(C)C MCULE-7074789151 [0,2,0,0,0,0|2,0,0]=4 2323 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,2,0,0,0,0|1,0,1]=4 2324 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,2,0,0,0,0|1,0,1]=4 2325 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,2,0,0,0,0|1,0,1]=4 2326 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,2,0,0,0,0|1,0,1]=4 2327 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,2,0,0,0,0|1,0,1]=4 2328 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [0,2,0,0,0,0|1,0,0]=3 2329 B6R0.2 CC(N)CC(F)F MCULE-9211292557 [0,2,0,0,0,0|2,0,0]=4 2330 B6R0.2 CC(N)CC(F)F MCULE-9693935594 [0,2,0,0,0,0|2,0,0]=4 2331 B6R0.2 CC(N)CN(C)C MCULE-4834268309 [0,2,0,0,0,0|2,0,0]=4 2332 B6R0.2 CC(N)CN(C)C MCULE-9601630435 [0,2,0,0,0,0|2,0,0]=4 2333 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [0,2,0,0,0,0|1,1,0]=4 2334 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,2,0,0,0,0|2,0,0]=4 2335 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,2,0,0,0,0|1,0,1]=4 2336 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,2,0,0,0,0|1,0,1]=4 2337 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,2,0,0,0,0|2,0,0]=4 2338 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,2,0,0,0,0|2,0,0]=4 2339 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [0,2,0,0,0,0|1,0,0]=3 2340 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [0,2,0,0,0,0|2,0,0]=4 2341 B6R0.2 CC(O)CN(C)C MCULE-6531222530 [0,2,0,0,0,0|1,0,0]=3 2342 B6R0.2 CC(O)CN(C)C MCULE-7127620454 [0,2,0,0,0,0|1,0,0]=3 2343 B6R0.2 CC(O)CN(C)N MCULE-6197492770 [0,2,0,0,0,0|1,0,0]=3 2344 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [0,2,0,0,0,0|0,1,0]=3 2345 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,2,0,0,0,0|1,0,1]=4 2346 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,2,0,0,0,0|1,0,1]=4 2347 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,2,0,0,0,0|1,0,1]=4 2348 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,2,0,0,0,0|1,0,1]=4 2349 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,2,0,0,0,0|1,0,1]=4 2350 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,2,0,0,0,0|1,0,1]=4 2351 B6R0.2 C[C@@H](N)CN(C)C MCULE-2034828409 [0,2,0,0,0,0|2,0,0]=4 2352 B6R0.2 C[C@@H](N)CN(C)C MCULE-2147556460 [0,2,0,0,0,0|2,0,0]=4 2353 B6R0.2 C[C@@H](N)CN(C)C MCULE-6097836560 [0,2,0,0,0,0|2,0,0]=4 2354 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,2,0,0,0,0|1,0,1]=4 2355 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,2,0,0,0,0|1,0,1]=4 2356 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,2,0,0,0,0|2,0,0]=4 2357 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,2,0,0,0,0|2,0,0]=4 2358 B6R0.2 C[C@@H](O)CN(C)C MCULE-3114172439 [0,2,0,0,0,0|1,0,0]=3 2359 B6R0.2 C[C@@H](O)CN(C)C MCULE-9927679143 [0,2,0,0,0,0|1,0,0]=3 2360 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [0,2,0,0,0,0|1,0,0]=3 2361 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [0,2,0,0,0,0|1,0,0]=3 2362 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [0,2,0,0,0,0|1,0,0]=3 2363 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,2,0,0,0,0|1,0,1]=4 2364 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,2,0,0,0,0|1,0,1]=4 2365 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,2,0,0,0,0|1,0,1]=4 2366 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,2,0,0,0,0|1,0,1]=4 2367 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,2,0,0,0,0|1,0,1]=4 2368 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,2,0,0,0,0|1,0,1]=4 2369 B6R0.2 C[C@H](N)CN(C)C MCULE-2526118342 [0,2,0,0,0,0|2,0,0]=4 2370 B6R0.2 C[C@H](N)CN(C)C MCULE-3902055308 [0,2,0,0,0,0|2,0,0]=4 2371 B6R0.2 C[C@H](N)CN(C)C MCULE-4292583182 [0,2,0,0,0,0|2,0,0]=4 2372 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,2,0,0,0,0|1,0,1]=4 2373 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,2,0,0,0,0|1,0,1]=4 2374 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,2,0,0,0,0|2,0,0]=4 2375 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,2,0,0,0,0|2,0,0]=4 2376 B6R0.2 C[C@H](O)CN(C)C MCULE-4542650002 [0,2,0,0,0,0|1,0,0]=3 2377 B6R0.2 C[C@H](O)CN(C)C MCULE-4717676519 [0,2,0,0,0,0|1,0,0]=3 2378 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [0,2,0,0,0,0|1,0,0]=3 2379 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [0,2,0,0,0,0|1,0,0]=3 2380 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,2,0,0,0,0|0,0,1]=3 2381 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,2,0,0,0,0|2,0,0]=4 2382 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,2,0,0,0,0|2,0,0]=4 2383 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [0,2,0,0,0,0|2,0,0]=4 2384 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [0,2,0,0,0,0|0,0,2]=4 2385 B6R0.3 C=CC(C)C(C)O MCULE-5639096655 [0,2,0,0,0,0|1,0,1]=4 2386 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-1946110265 [0,2,0,0,0,0|1,0,1]=4 2387 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-2042493608 [0,2,0,0,0,0|1,0,1]=4 2388 B6R0.3 C=C[C@@H](C)[C@H](C)O MCULE-1482556738 [0,2,0,0,0,0|1,0,1]=4 2389 B6R0.3 C=C[C@H](C)[C@@H](C)O MCULE-4591189626 [0,2,0,0,0,0|1,0,1]=4 2390 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2180884086 [0,2,0,0,0,0|1,0,1]=4 2391 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2347920403 [0,2,0,0,0,0|1,0,1]=4 2392 B6R0.3 CC(=C(C)CO)C MCULE-2852322197 [0,2,0,0,0,0|1,0,1]=4 2393 B6R0.3 CC(=C(F)CO)C MCULE-3552996593 [0,2,0,0,0,0|1,0,1]=4 2394 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,2,0,0,0,0|1,0,0]=3 2395 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,2,0,0,0,0|1,0,0]=3 2396 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,2,0,0,0,0|1,0,0]=3 2397 B6R0.3 CC(C)C(=O)CO MCULE-8746789873 [0,2,0,0,0,0|1,0,1]=4 2398 B6R0.3 CC(C)C(C)CBr MCULE-4323135623 [0,2,0,0,0,0|2,0,0]=4 2399 B6R0.3 CC(C)C(C)CN MCULE-1011041652 [0,2,0,0,0,0|2,0,0]=4 2400 B6R0.3 CC(C)C(C)CN MCULE-5682817467 [0,2,0,0,0,0|2,0,0]=4 2401 B6R0.3 CC(C)C(C)CO MCULE-7008552664 [0,2,0,0,0,0|1,0,0]=3 2402 B6R0.3 CC(C)C(N)CF MCULE-4101575579 [0,2,0,0,0,0|2,0,0]=4 2403 B6R0.3 CC(C)C(N)CF MCULE-4888178244 [0,2,0,0,0,0|2,0,0]=4 2404 B6R0.3 CC(C)C(N)CN MCULE-3414430422 [0,2,0,0,0,0|2,0,0]=4 2405 B6R0.3 CC(C)C(N)CN MCULE-5279153780 [0,2,0,0,0,0|2,0,0]=4 2406 B6R0.3 CC(C)C(N)CO MCULE-2361921763 [0,2,0,0,0,0|1,0,0]=3 2407 B6R0.3 CC(C)C(N)CO MCULE-2989454077 [0,2,0,0,0,0|1,0,0]=3 2408 B6R0.3 CC(C)C(N)CO MCULE-9793548365 [0,2,0,0,0,0|1,0,0]=3 2409 B6R0.3 CC(C)C(O)CBr MCULE-1921145212 [0,2,0,0,0,0|2,0,0]=4 2410 B6R0.3 CC(C)C(O)CCl MCULE-7270676495 [0,2,0,0,0,0|2,0,0]=4 2411 B6R0.3 CC(C)C(O)CN MCULE-3560246402 [0,2,0,0,0,0|2,0,0]=4 2412 B6R0.3 CC(C)C(O)CN MCULE-9420842607 [0,2,0,0,0,0|2,0,0]=4 2413 B6R0.3 CC(C)C(O)CO MCULE-6069815474 [0,2,0,0,0,0|1,0,0]=3 2414 B6R0.3 CC(C)C(S)CO MCULE-1903780493 [0,2,0,0,0,0|1,0,0]=3 2415 B6R0.3 CC(C)[C@@H](C)CO MCULE-4943691177 [0,2,0,0,0,0|1,0,0]=3 2416 B6R0.3 CC(C)[C@@H](C)CO MCULE-6583781047 [0,2,0,0,0,0|1,0,0]=3 2417 B6R0.3 CC(C)[C@@H](N)CF MCULE-7429178470 [0,2,0,0,0,0|2,0,0]=4 2418 B6R0.3 CC(C)[C@@H](N)CF MCULE-7951488806 [0,2,0,0,0,0|2,0,0]=4 2419 B6R0.3 CC(C)[C@@H](N)CO MCULE-1135743088 [0,2,0,0,0,0|1,0,0]=3 2420 B6R0.3 CC(C)[C@@H](N)CO MCULE-3994511291 [0,2,0,0,0,0|1,0,0]=3 2421 B6R0.3 CC(C)[C@H](C)CO MCULE-9527582465 [0,2,0,0,0,0|1,0,0]=3 2422 B6R0.3 CC(C)[C@H](N)CF MCULE-2978082368 [0,2,0,0,0,0|2,0,0]=4 2423 B6R0.3 CC(C)[C@H](N)CF MCULE-4609473233 [0,2,0,0,0,0|2,0,0]=4 2424 B6R0.3 CC(C)[C@H](N)CN MCULE-2884084983 [0,2,0,0,0,0|2,0,0]=4 2425 B6R0.3 CC(C)[C@H](N)CO MCULE-2625936994 [0,2,0,0,0,0|1,0,0]=3 2426 B6R0.3 CC(C)[C@H](N)CO MCULE-3229973889 [0,2,0,0,0,0|1,0,0]=3 2427 B6R0.3 CC(C)[C@H](N)CO MCULE-6090001117 [0,2,0,0,0,0|1,0,0]=3 2428 B6R0.3 CC(C)[C@H](N)CO MCULE-8284816696 [0,2,0,0,0,0|1,0,0]=3 2429 B6R0.3 CC(CCl)N(C)C MCULE-1058476958 [0,2,0,0,0,0|2,0,0]=4 2430 B6R0.3 CC(CCl)N(C)C MCULE-3515287037 [0,2,0,0,0,0|2,0,0]=4 2431 B6R0.3 CC(CN)N(C)C MCULE-1383449400 [0,2,0,0,0,0|2,0,0]=4 2432 B6R0.3 CC(CN)N(C)C MCULE-9891789912 [0,2,0,0,0,0|2,0,0]=4 2433 B6R0.3 CC(CN)S(=O)C MCULE-9048112625 [0,2,0,0,0,0|1,1,0]=4 2434 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,2,0,0,0,0|2,0,0]=4 2435 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,2,0,0,0,0|2,0,0]=4 2436 B6R0.3 CC(CO)N(=O)=O MCULE-5856696728 [0,2,0,0,0,0|2,0,0]=4 2437 B6R0.3 CC(CO)N(C)C MCULE-7300076854 [0,2,0,0,0,0|1,0,0]=3 2438 B6R0.3 CC(CO)N(C)N MCULE-8306784573 [0,2,0,0,0,0|1,0,0]=3 2439 B6R0.3 CC(Cl)C(O)CCl MCULE-5399761987 [0,2,0,0,0,0|2,0,0]=4 2440 B6R0.3 CC(N)C(C)CO MCULE-8179225289 [0,2,0,0,0,0|1,0,0]=3 2441 B6R0.3 CC(N)C(O)CO MCULE-8191126136 [0,2,0,0,0,0|1,0,0]=3 2442 B6R0.3 CC(O)C(C)C#N MCULE-2580244921 [0,2,0,0,0,0|2,0,0]=4 2443 B6R0.3 CC(O)C(C)CN MCULE-5251700993 [0,2,0,0,0,0|2,0,0]=4 2444 B6R0.3 CC(O)C(C)CO MCULE-4061946423 [0,2,0,0,0,0|1,0,0]=3 2445 B6R0.3 CC(O)C(N)CN MCULE-2787573482 [0,2,0,0,0,0|2,0,0]=4 2446 B6R0.3 CC(O)C(N)CN MCULE-5330950433 [0,2,0,0,0,0|2,0,0]=4 2447 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [0,2,0,0,0,0|1,0,0]=3 2448 B6R0.3 CC(O)C(O)CN MCULE-6591390331 [0,2,0,0,0,0|2,0,0]=4 2449 B6R0.3 CC(O)C(O)CO MCULE-1795053551 [0,2,0,0,0,0|1,0,0]=3 2450 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,2,0,0,0,0|1,0,1]=4 2451 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,2,0,0,0,0|1,0,1]=4 2452 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,2,0,0,0,0|1,0,1]=4 2453 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,2,0,0,0,0|1,0,1]=4 2454 B6R0.3 CC(S)C(C)CO MCULE-5435813701 [0,2,0,0,0,0|1,0,0]=3 2455 B6R0.3 CCC(=O)C(C)O MCULE-4144791660 [0,2,0,0,0,0|1,0,1]=4 2456 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,2,0,0,0,0|2,0,0]=4 2457 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,2,0,0,0,0|1,0,1]=4 2458 B6R0.3 CCC(C)B(O)O MCULE-7544159454 [0,2,0,0,0,0|2,0,0]=4 2459 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,2,0,0,0,0|2,0,0]=4 2460 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,2,0,0,0,0|1,0,1]=4 2461 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,2,0,0,0,0|1,0,1]=4 2462 B6R0.3 CCC(C)C(C)Br MCULE-5368409335 [0,2,0,0,0,0|2,0,0]=4 2463 B6R0.3 CCC(C)C(C)C MCULE-9189749509 [0,2,0,0,0,0|2,0,0]=4 2464 B6R0.3 CCC(C)C(C)Cl MCULE-2663176330 [0,2,0,0,0,0|2,0,0]=4 2465 B6R0.3 CCC(C)C(C)N MCULE-1056466337 [0,2,0,0,0,0|2,0,0]=4 2466 B6R0.3 CCC(C)C(C)N MCULE-1503543126 [0,2,0,0,0,0|2,0,0]=4 2467 B6R0.3 CCC(C)C(C)O MCULE-8290655999 [0,2,0,0,0,0|1,0,0]=3 2468 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,2,0,0,0,0|1,0,1]=4 2469 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,2,0,0,0,0|1,0,1]=4 2470 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,2,0,0,0,0|1,0,1]=4 2471 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,2,0,0,0,0|1,0,1]=4 2472 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,2,0,0,0,0|1,0,1]=4 2473 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,2,0,0,0,0|1,0,1]=4 2474 B6R0.3 CCC(N)C(C)C MCULE-3624338196 [0,2,0,0,0,0|2,0,0]=4 2475 B6R0.3 CCC(N)C(C)C MCULE-4491326477 [0,2,0,0,0,0|2,0,0]=4 2476 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [0,2,0,0,0,0|1,0,0]=3 2477 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [0,2,0,0,0,0|1,0,0]=3 2478 B6R0.3 CCC(N)C(F)F MCULE-3079670807 [0,2,0,0,0,0|2,0,0]=4 2479 B6R0.3 CCC(N)C(F)F MCULE-4157824434 [0,2,0,0,0,0|2,0,0]=4 2480 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,2,0,0,0,0|1,0,1]=4 2481 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,2,0,0,0,0|1,0,1]=4 2482 B6R0.3 CCC(O)C(C)C MCULE-1130775455 [0,2,0,0,0,0|2,0,0]=4 2483 B6R0.3 CCC(O)C(C)N MCULE-4027170059 [0,2,0,0,0,0|2,0,0]=4 2484 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [0,2,0,0,0,0|1,0,0]=3 2485 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,2,0,0,0,0|2,0,0]=4 2486 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,2,0,0,0,0|1,0,1]=4 2487 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,2,0,0,0,0|1,0,1]=4 2488 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,2,0,0,0,0|1,0,1]=4 2489 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,2,0,0,0,0|1,0,1]=4 2490 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,2,0,0,0,0|1,0,1]=4 2491 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,2,0,0,0,0|1,0,1]=4 2492 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,2,0,0,0,0|1,0,1]=4 2493 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,2,0,0,0,0|1,0,1]=4 2494 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,2,0,0,0,0|1,0,1]=4 2495 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,2,0,0,0,0|1,0,1]=4 2496 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,2,0,0,0,0|1,0,1]=4 2497 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [0,2,0,0,0,0|1,0,0]=3 2498 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [0,2,0,0,0,0|1,0,0]=3 2499 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,2,0,0,0,0|1,0,1]=4 2500 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,2,0,0,0,0|1,0,1]=4 2501 B6R0.3 CC[C@@H](O)C(C)C MCULE-3684327261 [0,2,0,0,0,0|2,0,0]=4 2502 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,2,0,0,0,0|1,0,1]=4 2503 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,2,0,0,0,0|1,0,1]=4 2504 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,2,0,0,0,0|1,0,1]=4 2505 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,2,0,0,0,0|1,0,1]=4 2506 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,2,0,0,0,0|1,0,1]=4 2507 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,2,0,0,0,0|1,0,1]=4 2508 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,2,0,0,0,0|1,0,1]=4 2509 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,2,0,0,0,0|1,0,1]=4 2510 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,2,0,0,0,0|1,0,1]=4 2511 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,2,0,0,0,0|1,0,1]=4 2512 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,2,0,0,0,0|1,0,1]=4 2513 B6R0.3 CC[C@H](N)C(C)C MCULE-3200638239 [0,2,0,0,0,0|2,0,0]=4 2514 B6R0.3 CC[C@H](N)C(C)C MCULE-4973720203 [0,2,0,0,0,0|2,0,0]=4 2515 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [0,2,0,0,0,0|1,0,0]=3 2516 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [0,2,0,0,0,0|1,0,0]=3 2517 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [0,2,0,0,0,0|1,0,0]=3 2518 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [0,2,0,0,0,0|1,0,0]=3 2519 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [0,2,0,0,0,0|1,0,0]=3 2520 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [0,2,0,0,0,0|1,0,0]=3 2521 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,2,0,0,0,0|1,0,1]=4 2522 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,2,0,0,0,0|1,0,1]=4 2523 B6R0.3 CC[C@H](O)C(C)C MCULE-9659963395 [0,2,0,0,0,0|2,0,0]=4 2524 B6R0.3 CN(C)C(=O)CO MCULE-8470749078 [0,2,0,0,0,0|1,0,1]=4 2525 B6R0.3 CNC(=O)C(C)O MCULE-4714977257 [0,2,0,0,0,0|1,0,1]=4 2526 B6R0.3 CNC(=O)[C@@H](C)O MCULE-8955033466 [0,2,0,0,0,0|1,0,1]=4 2527 B6R0.3 CNC(=O)[C@H](C)O MCULE-8015727044 [0,2,0,0,0,0|1,0,1]=4 2528 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,2,0,0,0,0|1,0,1]=4 2529 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,2,0,0,0,0|1,0,1]=4 2530 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,2,0,0,0,0|1,0,1]=4 2531 B6R0.3 CNC(C)C(C)C MCULE-3041212030 [0,2,0,0,0,0|2,0,0]=4 2532 B6R0.3 CNC(C)C(C)C MCULE-7052543779 [0,2,0,0,0,0|2,0,0]=4 2533 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,2,0,0,0,0|1,0,1]=4 2534 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,2,0,0,0,0|1,0,1]=4 2535 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,2,0,0,0,0|1,0,1]=4 2536 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,2,0,0,0,0|1,0,1]=4 2537 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,2,0,0,0,0|1,0,1]=4 2538 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,2,0,0,0,0|1,0,1]=4 2539 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,2,0,0,0,0|1,0,1]=4 2540 B6R0.3 COC(=N)C(C)C MCULE-2061399513 [0,2,0,0,0,0|1,0,1]=4 2541 B6R0.3 COC(=N)C(C)C MCULE-9270611186 [0,2,0,0,0,0|1,0,1]=4 2542 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,2,0,0,0,0|0,0,2]=4 2543 B6R0.3 COC(=O)C(Br)Br MCULE-7917032365 [0,2,0,0,0,0|1,0,1]=4 2544 B6R0.3 COC(=O)C(C)Br MCULE-8218697195 [0,2,0,0,0,0|1,0,1]=4 2545 B6R0.3 COC(=O)C(C)C MCULE-8740211817 [0,2,0,0,0,0|1,0,1]=4 2546 B6R0.3 COC(=O)C(C)Cl MCULE-5874523100 [0,2,0,0,0,0|1,0,1]=4 2547 B6R0.3 COC(=O)C(C)Cl MCULE-7725109837 [0,2,0,0,0,0|1,0,1]=4 2548 B6R0.3 COC(=O)C(C)F MCULE-2381396302 [0,2,0,0,0,0|1,0,1]=4 2549 B6R0.3 COC(=O)C(C)N MCULE-6823731158 [0,2,0,0,0,0|1,0,1]=4 2550 B6R0.3 COC(=O)C(C)N MCULE-7003387212 [0,2,0,0,0,0|1,0,1]=4 2551 B6R0.3 COC(=O)C(C)N MCULE-8331503444 [0,2,0,0,0,0|1,0,1]=4 2552 B6R0.3 COC(=O)C(C)N MCULE-8860467123 [0,2,0,0,0,0|1,0,1]=4 2553 B6R0.3 COC(=O)C(C)O MCULE-7040827393 [0,2,0,0,0,0|0,0,1]=3 2554 B6R0.3 COC(=O)C(C)O MCULE-7872489483 [0,2,0,0,0,0|0,0,1]=3 2555 B6R0.3 COC(=O)C(C)S MCULE-8499044680 [0,2,0,0,0,0|0,1,1]=4 2556 B6R0.3 COC(=O)C(Cl)Cl MCULE-4062853805 [0,2,0,0,0,0|1,0,1]=4 2557 B6R0.3 COC(=O)C(F)F MCULE-9701476276 [0,2,0,0,0,0|1,0,1]=4 2558 B6R0.3 COC(=O)[C@@H](C)Br MCULE-8118895575 [0,2,0,0,0,0|1,0,1]=4 2559 B6R0.3 COC(=O)[C@@H](C)Cl MCULE-1037727130 [0,2,0,0,0,0|1,0,1]=4 2560 B6R0.3 COC(=O)[C@@H](C)F MCULE-4776326501 [0,2,0,0,0,0|1,0,1]=4 2561 B6R0.3 COC(=O)[C@@H](C)F MCULE-8049982812 [0,2,0,0,0,0|1,0,1]=4 2562 B6R0.3 COC(=O)[C@@H](C)N MCULE-6142127864 [0,2,0,0,0,0|1,0,1]=4 2563 B6R0.3 COC(=O)[C@@H](C)N MCULE-6606835410 [0,2,0,0,0,0|1,0,1]=4 2564 B6R0.3 COC(=O)[C@@H](C)N MCULE-7979979694 [0,2,0,0,0,0|1,0,1]=4 2565 B6R0.3 COC(=O)[C@@H](C)N MCULE-9290287586 [0,2,0,0,0,0|1,0,1]=4 2566 B6R0.3 COC(=O)[C@@H](C)O MCULE-5441095431 [0,2,0,0,0,0|0,0,1]=3 2567 B6R0.3 COC(=O)[C@@H](C)O MCULE-6924152779 [0,2,0,0,0,0|0,0,1]=3 2568 B6R0.3 COC(=O)[C@H](C)Cl MCULE-1009662992 [0,2,0,0,0,0|1,0,1]=4 2569 B6R0.3 COC(=O)[C@H](C)Cl MCULE-7624485295 [0,2,0,0,0,0|1,0,1]=4 2570 B6R0.3 COC(=O)[C@H](C)N MCULE-1665306037 [0,2,0,0,0,0|1,0,1]=4 2571 B6R0.3 COC(=O)[C@H](C)N MCULE-2941352505 [0,2,0,0,0,0|1,0,1]=4 2572 B6R0.3 COC(=O)[C@H](C)N MCULE-5314047552 [0,2,0,0,0,0|1,0,1]=4 2573 B6R0.3 COC(=O)[C@H](C)N MCULE-7930428859 [0,2,0,0,0,0|1,0,1]=4 2574 B6R0.3 COC(=O)[C@H](C)O MCULE-2590929895 [0,2,0,0,0,0|0,0,1]=3 2575 B6R0.3 COC(=O)[C@H](C)O MCULE-3292709954 [0,2,0,0,0,0|0,0,1]=3 2576 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [0,2,0,0,0,0|0,0,2]=4 2577 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,2,0,0,0,0|0,0,1]=3 2578 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [0,2,0,0,0,0|0,0,2]=4 2579 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,2,0,0,0,0|0,0,2]=4 2580 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,2,0,0,0,0|0,0,1]=3 2581 B6R0.3 COC(C)C(=S)N MCULE-6827196665 [0,2,0,0,0,0|0,1,1]=4 2582 B6R0.3 COC(C)C(C)O MCULE-9844405908 [0,2,0,0,0,0|0,0,0]=2 2583 B6R0.3 COC(C)[C@@H](C)N MCULE-2029978265 [0,2,0,0,0,0|1,0,0]=3 2584 B6R0.3 COC(C)[C@@H](C)N MCULE-4755003017 [0,2,0,0,0,0|1,0,0]=3 2585 B6R0.3 COC(C)[C@@H](C)N MCULE-9820337483 [0,2,0,0,0,0|1,0,0]=3 2586 B6R0.3 COC(C)[C@@H](C)N MCULE-9820818995 [0,2,0,0,0,0|1,0,0]=3 2587 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [0,2,0,0,0,0|0,0,2]=4 2588 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,2,0,0,0,0|0,0,1]=3 2589 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,2,0,0,0,0|0,0,1]=3 2590 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,2,0,0,0,0|0,0,1]=3 2591 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,2,0,0,0,0|0,0,1]=3 2592 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,2,0,0,0,0|0,1,1]=4 2593 B6R0.3 CSC(C)C(C)O MCULE-9554880840 [0,2,0,0,0,0|0,1,0]=3 2594 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,2,0,0,0,0|2,0,0]=4 2595 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,2,0,0,0,0|2,0,0]=4 2596 B6R0.3 C[C@@H](CO)N(C)C MCULE-4388248602 [0,2,0,0,0,0|1,0,0]=3 2597 B6R0.3 C[C@@H](CS)N(C)C MCULE-7111398165 [0,2,0,0,0,0|1,1,0]=4 2598 B6R0.3 C[C@@H](F)[C@@H](F)CN MCULE-9285557840 [0,2,0,0,0,0|2,0,0]=4 2599 B6R0.3 C[C@@H](F)[C@H](F)CN MCULE-9353092073 [0,2,0,0,0,0|2,0,0]=4 2600 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [0,2,0,0,0,0|1,0,0]=3 2601 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [0,2,0,0,0,0|1,0,0]=3 2602 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [0,2,0,0,0,0|1,0,0]=3 2603 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [0,2,0,0,0,0|1,0,0]=3 2604 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [0,2,0,0,0,0|1,0,0]=3 2605 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [0,2,0,0,0,0|1,0,0]=3 2606 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,2,0,0,0,0|1,0,1]=4 2607 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,2,0,0,0,0|1,0,1]=4 2608 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,2,0,0,0,0|2,0,0]=4 2609 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,2,0,0,0,0|2,0,0]=4 2610 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,2,0,0,0,0|2,0,0]=4 2611 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [0,2,0,0,0,0|1,0,0]=3 2612 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [0,2,0,0,0,0|1,0,0]=3 2613 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [0,2,0,0,0,0|1,0,0]=3 2614 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [0,2,0,0,0,0|1,0,0]=3 2615 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [0,2,0,0,0,0|1,0,0]=3 2616 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,2,0,0,0,0|1,0,1]=4 2617 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,2,0,0,0,0|1,0,1]=4 2618 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,2,0,0,0,0|2,0,0]=4 2619 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,2,0,0,0,0|2,0,0]=4 2620 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,2,0,0,0,0|2,0,0]=4 2621 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,2,0,0,0,0|2,0,0]=4 2622 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,2,0,0,0,0|2,0,0]=4 2623 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,2,0,0,0,0|2,0,0]=4 2624 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,2,0,0,0,0|2,0,0]=4 2625 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,2,0,0,0,0|2,0,0]=4 2626 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,2,0,0,0,0|2,0,0]=4 2627 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,2,0,0,0,0|2,0,0]=4 2628 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,2,0,0,0,0|2,0,0]=4 2629 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,2,0,0,0,0|2,0,0]=4 2630 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,2,0,0,0,0|2,0,0]=4 2631 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,2,0,0,0,0|2,0,0]=4 2632 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,2,0,0,0,0|2,0,0]=4 2633 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,2,0,0,0,0|2,0,0]=4 2634 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,2,0,0,0,0|2,0,0]=4 2635 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,2,0,0,0,0|2,0,0]=4 2636 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,2,0,0,0,0|2,0,0]=4 2637 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,2,0,0,0,0|2,0,0]=4 2638 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,2,0,0,0,0|2,0,0]=4 2639 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,2,0,0,0,0|2,0,0]=4 2640 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,2,0,0,0,0|2,0,0]=4 2641 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,2,0,0,0,0|2,0,0]=4 2642 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,2,0,0,0,0|2,0,0]=4 2643 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,2,0,0,0,0|2,0,0]=4 2644 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,2,0,0,0,0|2,0,0]=4 2645 B6R0.3 O=N(=O)C(Br)CO MCULE-2147001744 [0,2,0,0,0,0|2,0,0]=4 2646 B6R0.3 OC[C@@H](O)C(F)F MCULE-5042610356 [0,2,0,0,0,0|2,0,0]=4 2647 B6R0.3 OC[C@@H](O)C(F)F MCULE-8643910063 [0,2,0,0,0,0|2,0,0]=4 2648 B6R0.3 [C@H](C)(Cl)C(=O)OC MCULE-7212330759 [0,2,0,0,0,0|1,0,1]=4 2649 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,2,0,0,0,0|1,0,1]=4 2650 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,2,0,0,0,0|2,0,0]=4 2651 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,2,0,0,0,0|1,0,1]=4 2652 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [0,2,0,0,0,0|2,0,0]=4 2653 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [0,2,0,0,0,0|1,0,1]=4 2654 B6R0.4 C#CCCC(C)C MCULE-9613694830 [0,2,0,0,0,0|2,0,0]=4 2655 B6R0.4 C#CCCC(C)O MCULE-1476308263 [0,2,0,0,0,0|1,0,1]=4 2656 B6R0.4 C#CCCN(C)C MCULE-9558095172 [0,2,0,0,0,0|2,0,0]=4 2657 B6R0.4 C#CCOC(=O)C MCULE-5002994323 [0,2,0,0,0,0|1,0,1]=4 2658 B6R0.4 C#CCOC(C)C MCULE-3111253071 [0,2,0,0,0,0|1,0,1]=4 2659 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [0,2,0,0,0,0|1,0,1]=4 2660 B6R0.4 C=C(C)CCC#N MCULE-9953519474 [0,2,0,0,0,0|2,0,0]=4 2661 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [0,2,0,0,0,0|2,0,0]=4 2662 B6R0.4 C=C(C)CCCC MCULE-1010177756 [0,2,0,0,0,0|2,0,0]=4 2663 B6R0.4 C=C(C)CCCO MCULE-4629274490 [0,2,0,0,0,0|1,0,0]=3 2664 B6R0.4 C=C(C)CNCC MCULE-2237759977 [0,2,0,0,0,0|2,0,0]=4 2665 B6R0.4 C=C(F)CCCO MCULE-1688645687 [0,2,0,0,0,0|1,0,1]=4 2666 B6R0.4 C=CCCB(O)O MCULE-9431650735 [0,2,0,0,0,0|1,0,1]=4 2667 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [0,2,0,0,0,0|2,0,0]=4 2668 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [0,2,0,0,0,0|2,0,0]=4 2669 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [0,2,0,0,0,0|1,0,1]=4 2670 B6R0.4 C=CCCC(C)Br MCULE-5841356762 [0,2,0,0,0,0|2,0,0]=4 2671 B6R0.4 C=CCCC(C)C MCULE-7128249655 [0,2,0,0,0,0|2,0,0]=4 2672 B6R0.4 C=CCCC(C)O MCULE-3388106789 [0,2,0,0,0,0|1,0,1]=4 2673 B6R0.4 C=CCC[C@@H](C)O MCULE-1272820385 [0,2,0,0,0,0|1,0,1]=4 2674 B6R0.4 C=CCC[C@@H](C)O MCULE-8509867177 [0,2,0,0,0,0|1,0,1]=4 2675 B6R0.4 C=CCC[C@H](C)O MCULE-4371391667 [0,2,0,0,0,0|1,0,1]=4 2676 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [0,2,0,0,0,0|1,0,1]=4 2677 B6R0.4 C=COCC(C)C MCULE-7268141053 [0,2,0,0,0,0|1,0,1]=4 2678 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [0,2,0,0,0,0|1,0,1]=4 2679 B6R0.4 CC(=CCCBr)C MCULE-9403575147 [0,2,0,0,0,0|2,0,0]=4 2680 B6R0.4 CC(=CCCN)C MCULE-9185531904 [0,2,0,0,0,0|2,0,0]=4 2681 B6R0.4 CC(=CCCO)C MCULE-2493404466 [0,2,0,0,0,0|1,0,0]=3 2682 B6R0.4 CC(=CCCO)C MCULE-8497528596 [0,2,0,0,0,0|1,0,0]=3 2683 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [0,2,0,0,0,0|2,0,0]=4 2684 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [0,2,0,0,0,0|1,0,1]=4 2685 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [0,2,0,0,0,0|2,0,0]=4 2686 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [0,2,0,0,0,0|2,0,0]=4 2687 B6R0.4 CC(=O)CCCO MCULE-1335342150 [0,2,0,0,0,0|1,0,0]=3 2688 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [0,2,0,0,0,0|2,0,0]=4 2689 B6R0.4 CC(=O)NCCN MCULE-2230084818 [0,2,0,0,0,0|2,0,0]=4 2690 B6R0.4 CC(=O)NCCO MCULE-5968518415 [0,2,0,0,0,0|1,0,0]=3 2691 B6R0.4 CC(=O)NCCS MCULE-3345813615 [0,2,0,0,0,0|1,1,0]=4 2692 B6R0.4 CC(=O)OCC#N MCULE-4866082576 [0,2,0,0,0,0|1,0,1]=4 2693 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [0,2,0,0,0,0|1,0,0]=3 2694 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [0,2,0,0,0,0|1,0,0]=3 2695 B6R0.4 CC(=O)OCCN MCULE-4530529900 [0,2,0,0,0,0|1,0,0]=3 2696 B6R0.4 CC(=O)OCCN MCULE-6854340494 [0,2,0,0,0,0|1,0,0]=3 2697 B6R0.4 CC(=O)OCCO MCULE-1251660436 [0,2,0,0,0,0|0,0,0]=2 2698 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [0,2,0,0,0,0|1,1,0]=4 2699 B6R0.4 CC(=O)SCCN MCULE-3819903256 [0,2,0,0,0,0|1,1,0]=4 2700 B6R0.4 CC(=O)SCCN MCULE-4872130470 [0,2,0,0,0,0|1,1,0]=4 2701 B6R0.4 CC(=O)SCCN MCULE-7084821345 [0,2,0,0,0,0|1,1,0]=4 2702 B6R0.4 CC(Br)CCC#N MCULE-7424967519 [0,2,0,0,0,0|2,0,0]=4 2703 B6R0.4 CC(Br)CCCBr MCULE-8808667049 [0,2,0,0,0,0|2,0,0]=4 2704 B6R0.4 CC(C)CCC#N MCULE-5503038837 [0,2,0,0,0,0|2,0,0]=4 2705 B6R0.4 CC(C)CCC=O MCULE-9664145623 [0,2,0,0,0,0|1,0,1]=4 2706 B6R0.4 CC(C)CCCBr MCULE-2045625937 [0,2,0,0,0,0|2,0,0]=4 2707 B6R0.4 CC(C)CCCCl MCULE-4841628592 [0,2,0,0,0,0|2,0,0]=4 2708 B6R0.4 CC(C)CCCI MCULE-4035616717 [0,2,0,0,0,0|2,0,0]=4 2709 B6R0.4 CC(C)CCCN MCULE-2232715676 [0,2,0,0,0,0|2,0,0]=4 2710 B6R0.4 CC(C)CCCN MCULE-7121372197 [0,2,0,0,0,0|2,0,0]=4 2711 B6R0.4 CC(C)CCCO MCULE-5797993948 [0,2,0,0,0,0|1,0,0]=3 2712 B6R0.4 CC(C)CCCS MCULE-8417191578 [0,2,0,0,0,0|1,1,0]=4 2713 B6R0.4 CC(C)CCNN MCULE-1163630283 [0,2,0,0,0,0|2,0,0]=4 2714 B6R0.4 CC(C)CCNN MCULE-2023326468 [0,2,0,0,0,0|2,0,0]=4 2715 B6R0.4 CC(C)CCNN MCULE-4572239737 [0,2,0,0,0,0|2,0,0]=4 2716 B6R0.4 CC(C)CCON MCULE-2653553816 [0,2,0,0,0,0|1,0,0]=3 2717 B6R0.4 CC(C)CCON MCULE-6468395078 [0,2,0,0,0,0|1,0,0]=3 2718 B6R0.4 CC(C)COC=O MCULE-8234906771 [0,2,0,0,0,0|1,0,1]=4 2719 B6R0.4 CC(C)COCCl MCULE-2194640169 [0,2,0,0,0,0|1,0,0]=3 2720 B6R0.4 CC(C)CON=O MCULE-8394966903 [0,2,0,0,0,0|2,0,0]=4 2721 B6R0.4 CC(C)CSCCl MCULE-5218455619 [0,2,0,0,0,0|1,1,0]=4 2722 B6R0.4 CC(C)NCCCl MCULE-1521398137 [0,2,0,0,0,0|2,0,0]=4 2723 B6R0.4 CC(C)NCCCl MCULE-2586914937 [0,2,0,0,0,0|2,0,0]=4 2724 B6R0.4 CC(C)NCCN MCULE-1003086359 [0,2,0,0,0,0|2,0,0]=4 2725 B6R0.4 CC(C)NCCN MCULE-5066931507 [0,2,0,0,0,0|2,0,0]=4 2726 B6R0.4 CC(C)NCCO MCULE-1749029105 [0,2,0,0,0,0|1,0,0]=3 2727 B6R0.4 CC(C)OCC#N MCULE-4594795380 [0,2,0,0,0,0|1,0,1]=4 2728 B6R0.4 CC(C)OCC=O MCULE-5974054323 [0,2,0,0,0,0|0,0,2]=4 2729 B6R0.4 CC(C)OCCBr MCULE-8869065375 [0,2,0,0,0,0|1,0,0]=3 2730 B6R0.4 CC(C)OCCCl MCULE-3848763715 [0,2,0,0,0,0|1,0,0]=3 2731 B6R0.4 CC(C)OCCI MCULE-8259612531 [0,2,0,0,0,0|1,0,0]=3 2732 B6R0.4 CC(C)OCCN MCULE-6140628944 [0,2,0,0,0,0|1,0,0]=3 2733 B6R0.4 CC(C)OCCN MCULE-7438591135 [0,2,0,0,0,0|1,0,0]=3 2734 B6R0.4 CC(C)OCCN MCULE-7614115649 [0,2,0,0,0,0|1,0,0]=3 2735 B6R0.4 CC(C)OCCO MCULE-8766149613 [0,2,0,0,0,0|0,0,0]=2 2736 B6R0.4 CC(C)SCCCl MCULE-4991548042 [0,2,0,0,0,0|1,1,0]=4 2737 B6R0.4 CC(C)SCCN MCULE-2838203545 [0,2,0,0,0,0|1,1,0]=4 2738 B6R0.4 CC(C)SCCN MCULE-6551225219 [0,2,0,0,0,0|1,1,0]=4 2739 B6R0.4 CC(C)SCCO MCULE-1467015400 [0,2,0,0,0,0|0,1,0]=3 2740 B6R0.4 CC(Cl)CCC#N MCULE-2064174419 [0,2,0,0,0,0|2,0,0]=4 2741 B6R0.4 CC(Cl)CCCCl MCULE-9382073752 [0,2,0,0,0,0|2,0,0]=4 2742 B6R0.4 CC(Cl)CCCO MCULE-2554250532 [0,2,0,0,0,0|1,0,0]=3 2743 B6R0.4 CC(N)CCCN MCULE-4857113826 [0,2,0,0,0,0|2,0,0]=4 2744 B6R0.4 CC(N)CCCN MCULE-4899798325 [0,2,0,0,0,0|2,0,0]=4 2745 B6R0.4 CC(N)CCCO MCULE-6629535696 [0,2,0,0,0,0|1,0,0]=3 2746 B6R0.4 CC(O)CCC#N MCULE-6350143710 [0,2,0,0,0,0|1,0,1]=4 2747 B6R0.4 CC(O)CCCBr MCULE-5477662754 [0,2,0,0,0,0|1,0,0]=3 2748 B6R0.4 CC(O)CCCCl MCULE-6993728810 [0,2,0,0,0,0|1,0,0]=3 2749 B6R0.4 CC(O)CCCN MCULE-3754805134 [0,2,0,0,0,0|1,0,0]=3 2750 B6R0.4 CC(O)CCCO MCULE-6580326052 [0,2,0,0,0,0|1,0,0]=3 2751 B6R0.4 CC(O)CN=N#N MCULE-3020215858 [0,2,0,0,0,0|2,0,0]=4 2752 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [0,2,0,0,0,0|1,0,1]=4 2753 B6R0.4 CC=CCC(C)C MCULE-7145682250 [0,2,0,0,0,0|2,0,0]=4 2754 B6R0.4 CCC#CC(C)O MCULE-6395334377 [0,2,0,0,0,0|1,0,1]=4 2755 B6R0.4 CCCC=C(C)C MCULE-2110588796 [0,2,0,0,0,0|2,0,0]=4 2756 B6R0.4 CCCCB(O)O MCULE-9002672645 [0,2,0,0,0,0|1,0,0]=3 2757 B6R0.4 CCCCC(=N)N MCULE-3271993509 [0,2,0,0,0,0|2,0,0]=4 2758 B6R0.4 CCCCC(=N)N MCULE-3935017760 [0,2,0,0,0,0|2,0,0]=4 2759 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [0,2,0,0,0,0|1,0,1]=4 2760 B6R0.4 CCCCC(=O)C MCULE-3554390184 [0,2,0,0,0,0|1,0,1]=4 2761 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [0,2,0,0,0,0|1,0,1]=4 2762 B6R0.4 CCCCC(=O)N MCULE-6419483436 [0,2,0,0,0,0|1,0,1]=4 2763 B6R0.4 CCCCC(=O)O MCULE-2333640078 [0,2,0,0,0,0|1,0,0]=3 2764 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [0,2,0,0,0,0|1,0,1]=4 2765 B6R0.4 CCCCC(=S)N MCULE-8236760762 [0,2,0,0,0,0|1,1,0]=4 2766 B6R0.4 CCCCC(C)Br MCULE-3252474574 [0,2,0,0,0,0|2,0,0]=4 2767 B6R0.4 CCCCC(C)C MCULE-7568461039 [0,2,0,0,0,0|2,0,0]=4 2768 B6R0.4 CCCCC(C)Cl MCULE-4825682003 [0,2,0,0,0,0|2,0,0]=4 2769 B6R0.4 CCCCC(C)N MCULE-5349371506 [0,2,0,0,0,0|2,0,0]=4 2770 B6R0.4 CCCCC(C)N MCULE-6696490028 [0,2,0,0,0,0|2,0,0]=4 2771 B6R0.4 CCCCC(C)O MCULE-6558228722 [0,2,0,0,0,0|1,0,0]=3 2772 B6R0.4 CCCCC(C)S MCULE-4791681848 [0,2,0,0,0,0|1,1,0]=4 2773 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [0,2,0,0,0,0|1,0,1]=4 2774 B6R0.4 CCCCN(C)C MCULE-7202077639 [0,2,0,0,0,0|2,0,0]=4 2775 B6R0.4 CCCCN(C)N MCULE-7927159797 [0,2,0,0,0,0|2,0,0]=4 2776 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [0,2,0,0,0,0|1,0,1]=4 2777 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [0,2,0,0,0,0|1,0,1]=4 2778 B6R0.4 CCCC[C@@H](C)N MCULE-2673058676 [0,2,0,0,0,0|2,0,0]=4 2779 B6R0.4 CCCC[C@@H](C)N MCULE-7666196055 [0,2,0,0,0,0|2,0,0]=4 2780 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [0,2,0,0,0,0|1,0,0]=3 2781 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [0,2,0,0,0,0|1,0,0]=3 2782 B6R0.4 CCCC[C@H](C)N MCULE-6212068145 [0,2,0,0,0,0|2,0,0]=4 2783 B6R0.4 CCCC[C@H](C)N MCULE-7818513999 [0,2,0,0,0,0|2,0,0]=4 2784 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [0,2,0,0,0,0|1,0,0]=3 2785 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [0,2,0,0,0,0|1,0,0]=3 2786 B6R0.4 CCCNC(=O)C MCULE-5899703886 [0,2,0,0,0,0|2,0,0]=4 2787 B6R0.4 CCCNC(C)C MCULE-7475023734 [0,2,0,0,0,0|2,0,0]=4 2788 B6R0.4 CCCOC(=O)C MCULE-7327042566 [0,2,0,0,0,0|1,0,0]=3 2789 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [0,2,0,0,0,0|1,0,1]=4 2790 B6R0.4 CCCOC(=O)N MCULE-2760622567 [0,2,0,0,0,0|1,0,1]=4 2791 B6R0.4 CCCOC(=S)[S-] MCULE-9126934993 [0,2,0,0,0,0|1,0,1]=4 2792 B6R0.4 CCCOC(=S)[S-] MCULE-9566804941 [0,2,0,0,0,0|1,0,1]=4 2793 B6R0.4 CCCON(=O)=O MCULE-3372904250 [0,2,0,0,0,0|2,0,0]=4 2794 B6R0.4 CCCSC(=O)C MCULE-4329646671 [0,2,0,0,0,0|1,1,0]=4 2795 B6R0.4 CCCSC(C)C MCULE-2233656285 [0,2,0,0,0,0|1,1,0]=4 2796 B6R0.4 CCNCC(=O)C MCULE-5799315547 [0,2,0,0,0,0|2,0,0]=4 2797 B6R0.4 CCNCC(=O)C MCULE-9258294157 [0,2,0,0,0,0|2,0,0]=4 2798 B6R0.4 CCNCC(=O)O MCULE-5989480216 [0,2,0,0,0,0|1,0,1]=4 2799 B6R0.4 CCNCC(=O)O MCULE-8087863397 [0,2,0,0,0,0|1,0,1]=4 2800 B6R0.4 CCNCC(C)C MCULE-1625905125 [0,2,0,0,0,0|2,0,0]=4 2801 B6R0.4 CCNCC(C)C MCULE-3527739859 [0,2,0,0,0,0|2,0,0]=4 2802 B6R0.4 CCNCC(C)O MCULE-5078068369 [0,2,0,0,0,0|1,0,0]=3 2803 B6R0.4 CCNCC(F)F MCULE-3324117157 [0,2,0,0,0,0|2,0,0]=4 2804 B6R0.4 CCNCC(F)F MCULE-7919972639 [0,2,0,0,0,0|2,0,0]=4 2805 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [0,2,0,0,0,0|1,0,0]=3 2806 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [0,2,0,0,0,0|1,0,0]=3 2807 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [0,2,0,0,0,0|1,0,0]=3 2808 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [0,2,0,0,0,0|1,0,0]=3 2809 B6R0.4 CCOCC(=N)N MCULE-3232806707 [0,2,0,0,0,0|1,0,1]=4 2810 B6R0.4 CCOCC(=N)N MCULE-4996987536 [0,2,0,0,0,0|1,0,1]=4 2811 B6R0.4 CCOCC(=O)C MCULE-2825677443 [0,2,0,0,0,0|0,0,2]=4 2812 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [0,2,0,0,0,0|0,0,2]=4 2813 B6R0.4 CCOCC(=O)O MCULE-1726530898 [0,2,0,0,0,0|0,0,1]=3 2814 B6R0.4 CCOCC(=S)N MCULE-7064672670 [0,2,0,0,0,0|0,1,1]=4 2815 B6R0.4 CCOCC(C)C MCULE-7986128672 [0,2,0,0,0,0|1,0,0]=3 2816 B6R0.4 CCOCC(C)N MCULE-8540668261 [0,2,0,0,0,0|1,0,0]=3 2817 B6R0.4 CCOCC(C)N MCULE-8720228996 [0,2,0,0,0,0|1,0,0]=3 2818 B6R0.4 CCOCC(C)O MCULE-6224339526 [0,2,0,0,0,0|0,0,0]=2 2819 B6R0.4 CCOC[C@@H](C)N MCULE-7053460047 [0,2,0,0,0,0|1,0,0]=3 2820 B6R0.4 CCOC[C@@H](C)N MCULE-9865800502 [0,2,0,0,0,0|1,0,0]=3 2821 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [0,2,0,0,0,0|0,0,0]=2 2822 B6R0.4 CCOC[C@H](C)N MCULE-2897416804 [0,2,0,0,0,0|1,0,0]=3 2823 B6R0.4 CCOC[C@H](C)N MCULE-6799267946 [0,2,0,0,0,0|1,0,0]=3 2824 B6R0.4 CCONC(C)C MCULE-2412572743 [0,2,0,0,0,0|2,0,0]=4 2825 B6R0.4 CCONC(C)C MCULE-9246196365 [0,2,0,0,0,0|2,0,0]=4 2826 B6R0.4 CCSCC(=O)C MCULE-9872082780 [0,2,0,0,0,0|2,0,0]=4 2827 B6R0.4 CCSCC(=O)O MCULE-7471335718 [0,2,0,0,0,0|0,1,1]=4 2828 B6R0.4 CCSCC(C)N MCULE-3399255190 [0,2,0,0,0,0|1,1,0]=4 2829 B6R0.4 CN(C)CCC#N MCULE-8979604677 [0,2,0,0,0,0|2,0,0]=4 2830 B6R0.4 CN(C)CCC=O MCULE-6830649526 [0,2,0,0,0,0|1,0,1]=4 2831 B6R0.4 CN(C)CCCBr MCULE-2862944726 [0,2,0,0,0,0|2,0,0]=4 2832 B6R0.4 CN(C)CCCBr MCULE-4596026048 [0,2,0,0,0,0|2,0,0]=4 2833 B6R0.4 CN(C)CCCBr MCULE-7515880350 [0,2,0,0,0,0|2,0,0]=4 2834 B6R0.4 CN(C)CCCCl MCULE-1347366200 [0,2,0,0,0,0|2,0,0]=4 2835 B6R0.4 CN(C)CCCCl MCULE-3767329555 [0,2,0,0,0,0|2,0,0]=4 2836 B6R0.4 CN(C)CCCI MCULE-2134226049 [0,2,0,0,0,0|2,0,0]=4 2837 B6R0.4 CN(C)CCCI MCULE-2999516061 [0,2,0,0,0,0|2,0,0]=4 2838 B6R0.4 CN(C)CCCN MCULE-3882436382 [0,2,0,0,0,0|2,0,0]=4 2839 B6R0.4 CN(C)CCCN MCULE-4415270662 [0,2,0,0,0,0|2,0,0]=4 2840 B6R0.4 CN(C)CCCN MCULE-4624916051 [0,2,0,0,0,0|2,0,0]=4 2841 B6R0.4 CN(C)CCCN MCULE-4749435878 [0,2,0,0,0,0|2,0,0]=4 2842 B6R0.4 CN(C)CCCN MCULE-9301668058 [0,2,0,0,0,0|2,0,0]=4 2843 B6R0.4 CN(C)CCCO MCULE-7408728427 [0,2,0,0,0,0|1,0,0]=3 2844 B6R0.4 CN(C)CCCS MCULE-7945161812 [0,2,0,0,0,0|1,1,0]=4 2845 B6R0.4 CN(C)CCNN MCULE-5321668174 [0,2,0,0,0,0|2,0,0]=4 2846 B6R0.4 CN(C)CCNN MCULE-6578987911 [0,2,0,0,0,0|2,0,0]=4 2847 B6R0.4 CN(C)CCON MCULE-1981169712 [0,2,0,0,0,0|1,0,0]=3 2848 B6R0.4 CN(C)CCON MCULE-6706970282 [0,2,0,0,0,0|1,0,0]=3 2849 B6R0.4 CN(C)NCCCl MCULE-2462354397 [0,2,0,0,0,0|2,0,0]=4 2850 B6R0.4 CN(C)NCCCl MCULE-7933853049 [0,2,0,0,0,0|2,0,0]=4 2851 B6R0.4 CNCCC(=O)N MCULE-1118876220 [0,2,0,0,0,0|1,0,1]=4 2852 B6R0.4 CNCCC(=O)N MCULE-6679713144 [0,2,0,0,0,0|1,0,1]=4 2853 B6R0.4 CNCCC(=O)O MCULE-3627988097 [0,2,0,0,0,0|1,0,0]=3 2854 B6R0.4 CNCCC(=O)O MCULE-9858204248 [0,2,0,0,0,0|1,0,0]=3 2855 B6R0.4 CNCCC(C)C MCULE-3679914556 [0,2,0,0,0,0|2,0,0]=4 2856 B6R0.4 CNCCC(C)C MCULE-9679972004 [0,2,0,0,0,0|2,0,0]=4 2857 B6R0.4 CNCCC(C)N MCULE-5955505029 [0,2,0,0,0,0|2,0,0]=4 2858 B6R0.4 CNCCC(C)N MCULE-8933967952 [0,2,0,0,0,0|2,0,0]=4 2859 B6R0.4 CNCCC(C)O MCULE-1615526002 [0,2,0,0,0,0|1,0,0]=3 2860 B6R0.4 CNCCN(C)C MCULE-3324857553 [0,2,0,0,0,0|2,0,0]=4 2861 B6R0.4 CNCCN(C)C MCULE-8014008412 [0,2,0,0,0,0|2,0,0]=4 2862 B6R0.4 CNCCN(C)C MCULE-9954339750 [0,2,0,0,0,0|2,0,0]=4 2863 B6R0.4 CNCC[C@@H](C)N MCULE-6024494304 [0,2,0,0,0,0|2,0,0]=4 2864 B6R0.4 CNCC[C@H](C)N MCULE-5449372796 [0,2,0,0,0,0|2,0,0]=4 2865 B6R0.4 CNCC[C@H](C)N MCULE-8157402351 [0,2,0,0,0,0|2,0,0]=4 2866 B6R0.4 CNOCC(C)C MCULE-4779196887 [0,2,0,0,0,0|1,0,0]=3 2867 B6R0.4 CNOCC(C)C MCULE-7320343096 [0,2,0,0,0,0|1,0,0]=3 2868 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [0,2,0,0,0,0|0,0,2]=4 2869 B6R0.4 COC=CC(=O)O MCULE-4252899122 [0,2,0,0,0,0|0,0,2]=4 2870 B6R0.4 COCCC(=N)N MCULE-8118559492 [0,2,0,0,0,0|1,0,0]=3 2871 B6R0.4 COCCC(=N)N MCULE-9000138086 [0,2,0,0,0,0|1,0,0]=3 2872 B6R0.4 COCCC(=O)C MCULE-5939812376 [0,2,0,0,0,0|0,0,1]=3 2873 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [0,2,0,0,0,0|0,0,1]=3 2874 B6R0.4 COCCC(=O)N MCULE-7556483675 [0,2,0,0,0,0|0,0,1]=3 2875 B6R0.4 COCCC(=O)O MCULE-3436347115 [0,2,0,0,0,0|0,0,0]=2 2876 B6R0.4 COCCC(C)Br MCULE-6529807745 [0,2,0,0,0,0|1,0,0]=3 2877 B6R0.4 COCCC(C)C MCULE-8727768886 [0,2,0,0,0,0|1,0,0]=3 2878 B6R0.4 COCCC(C)N MCULE-6183216923 [0,2,0,0,0,0|1,0,0]=3 2879 B6R0.4 COCCC(C)O MCULE-6536001437 [0,2,0,0,0,0|0,0,0]=2 2880 B6R0.4 COCCN(C)C MCULE-5323166567 [0,2,0,0,0,0|1,0,0]=3 2881 B6R0.4 COCCN(C)N MCULE-9480733049 [0,2,0,0,0,0|1,0,0]=3 2882 B6R0.4 COCC[C@H](C)N MCULE-6163336851 [0,2,0,0,0,0|1,0,0]=3 2883 B6R0.4 COCC[C@H](C)N MCULE-6363449253 [0,2,0,0,0,0|1,0,0]=3 2884 B6R0.4 COCNC(=O)N MCULE-8367032240 [0,2,0,0,0,0|0,0,2]=4 2885 B6R0.4 COCOC(=O)C MCULE-8876091916 [0,2,0,0,0,0|0,0,2]=4 2886 B6R0.4 CON=CC(=O)O MCULE-6800819509 [0,2,0,0,0,0|0,0,2]=4 2887 B6R0.4 CON=CC(C)C MCULE-1606683545 [0,2,0,0,0,0|1,0,1]=4 2888 B6R0.4 CS(=O)CCCN MCULE-1124989526 [0,2,0,0,0,0|1,1,0]=4 2889 B6R0.4 CS(=O)CCCN MCULE-8758903495 [0,2,0,0,0,0|1,1,0]=4 2890 B6R0.4 CSCCC(=N)N MCULE-3926353306 [0,2,0,0,0,0|1,1,0]=4 2891 B6R0.4 CSCCC(=N)N MCULE-4451485733 [0,2,0,0,0,0|1,1,0]=4 2892 B6R0.4 CSCCC(=O)C MCULE-6178663156 [0,2,0,0,0,0|0,1,1]=4 2893 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [0,2,0,0,0,0|0,1,1]=4 2894 B6R0.4 CSCCC(=O)N MCULE-7105035733 [0,2,0,0,0,0|0,1,1]=4 2895 B6R0.4 CSCCC(=O)O MCULE-9550032941 [0,2,0,0,0,0|0,1,0]=3 2896 B6R0.4 CSCCC(C)N MCULE-3925048385 [0,2,0,0,0,0|1,1,0]=4 2897 B6R0.4 CSCCC(C)O MCULE-5934844952 [0,2,0,0,0,0|0,1,0]=3 2898 B6R0.4 CSCCN(C)C MCULE-2148124964 [0,2,0,0,0,0|1,1,0]=4 2899 B6R0.4 CSCCN(C)C MCULE-5176242697 [0,2,0,0,0,0|1,1,0]=4 2900 B6R0.4 CSCOC(=O)C MCULE-1498769347 [0,2,0,0,0,0|2,0,0]=4 2901 B6R0.4 CSSCC(=O)O MCULE-5829510166 [0,2,0,0,0,0|0,1,1]=4 2902 B6R0.4 C[C@@H](N)CCCO MCULE-8313291415 [0,2,0,0,0,0|1,0,0]=3 2903 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [0,2,0,0,0,0|1,0,0]=3 2904 B6R0.4 FC(F)CCCBr MCULE-1364730558 [0,2,0,0,0,0|2,0,0]=4 2905 B6R0.4 FC(F)COCCl MCULE-4986204241 [0,2,0,0,0,0|1,0,0]=3 2906 B6R0.4 FC(F)OCCBr MCULE-8028905013 [0,2,0,0,0,0|1,0,0]=3 2907 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [0,2,0,0,0,0|2,0,0]=4 2908 B6R0.4 N=C(N)NCCO MCULE-5114367892 [0,2,0,0,0,0|1,0,1]=4 2909 B6R0.4 N=C(N)NCCO MCULE-6389092248 [0,2,0,0,0,0|1,0,1]=4 2910 B6R0.4 N=C(N)SCCO MCULE-5563309692 [0,2,0,0,0,0|0,1,1]=4 2911 B6R0.4 N=C(N)SCCO MCULE-5671847690 [0,2,0,0,0,0|0,1,1]=4 2912 B6R0.4 NC(=NCCO)N MCULE-5043697998 [0,2,0,0,0,0|1,0,1]=4 2913 B6R0.4 NC(=O)CCCO MCULE-3779341561 [0,2,0,0,0,0|1,0,1]=4 2914 B6R0.4 NC(=O)NCCO MCULE-2353513655 [0,2,0,0,0,0|1,0,1]=4 2915 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [0,2,0,0,0,0|1,0,1]=4 2916 B6R0.4 NC(=O)OCCO MCULE-7565460845 [0,2,0,0,0,0|0,0,1]=3 2917 B6R0.4 NC(=S)CCCO MCULE-8951145487 [0,2,0,0,0,0|1,0,1]=4 2918 B6R0.4 NC(=S)NCCO MCULE-9343742573 [0,2,0,0,0,0|1,0,1]=4 2919 B6R0.4 NCCCC(=O)O MCULE-3615304273 [0,2,0,0,0,0|1,0,1]=4 2920 B6R0.4 NCCCC(=O)O MCULE-7613134021 [0,2,0,0,0,0|1,0,1]=4 2921 B6R0.4 NCCCC(F)F MCULE-3173114913 [0,2,0,0,0,0|2,0,0]=4 2922 B6R0.4 NCCCC(F)F MCULE-8441119601 [0,2,0,0,0,0|2,0,0]=4 2923 B6R0.4 NCCOC(=O)N MCULE-4144808257 [0,2,0,0,0,0|1,0,1]=4 2924 B6R0.4 NCCOC(=O)N MCULE-5815053840 [0,2,0,0,0,0|1,0,1]=4 2925 B6R0.4 NCCOC(F)F MCULE-4294860342 [0,2,0,0,0,0|1,0,0]=3 2926 B6R0.4 NCCOC(F)F MCULE-4957283927 [0,2,0,0,0,0|1,0,0]=3 2927 B6R0.4 NCCON(=O)=O MCULE-1660868950 [0,2,0,0,0,0|2,0,0]=4 2928 B6R0.4 NCCON(=O)=O MCULE-5781896981 [0,2,0,0,0,0|2,0,0]=4 2929 B6R0.4 NOCCC(=O)O MCULE-1529492904 [0,2,0,0,0,0|1,0,0]=3 2930 B6R0.4 NOCCC(=O)O MCULE-6297331357 [0,2,0,0,0,0|1,0,0]=3 2931 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [0,2,0,0,0,0|1,0,1]=4 2932 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [0,2,0,0,0,0|1,0,1]=4 2933 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [0,2,0,0,0,0|1,0,1]=4 2934 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [0,2,0,0,0,0|1,0,1]=4 2935 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [0,2,0,0,0,0|1,0,1]=4 2936 B6R0.4 O=C(O)CCCF MCULE-2415675768 [0,2,0,0,0,0|1,0,1]=4 2937 B6R0.4 O=C(O)CCCI MCULE-7794841553 [0,2,0,0,0,0|1,0,1]=4 2938 B6R0.4 O=C(O)CCCS MCULE-3352840152 [0,2,0,0,0,0|1,0,1]=4 2939 B6R0.4 O=C(O)CNCO MCULE-4092998319 [0,2,0,0,0,0|1,0,1]=4 2940 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [0,2,0,0,0,0|2,0,0]=4 2941 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [0,2,0,0,0,0|2,0,0]=4 2942 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [0,2,0,0,0,0|2,0,0]=4 2943 B6R0.4 OCCCC(F)F MCULE-2972867290 [0,2,0,0,0,0|1,0,0]=3 2944 B6R0.4 OCCOC(F)F MCULE-6004830165 [0,2,0,0,0,0|0,0,0]=2 2945 B6R0.4 P(=O)([O-])OCCC MCULE-3877591764 [0,2,0,0,0,0|2,0,0]=4 2946 B6R0.5 C#CCC(C)(C)O MCULE-6680730908 [0,2,0,0,0,0|1,0,1]=4 2947 B6R0.5 C=CCC(C)(C)O MCULE-3560651758 [0,2,0,0,0,0|1,0,1]=4 2948 B6R0.5 CC#CC(C)(C)O MCULE-8572511684 [0,2,0,0,0,0|1,0,1]=4 2949 B6R0.5 CC(C)(Br)CCBr MCULE-9461856185 [0,2,0,0,0,0|2,0,0]=4 2950 B6R0.5 CC(C)(C)CCBr MCULE-6591692767 [0,2,0,0,0,0|2,0,0]=4 2951 B6R0.5 CC(C)(C)CCCl MCULE-6806888253 [0,2,0,0,0,0|2,0,0]=4 2952 B6R0.5 CC(C)(C)CCI MCULE-5455265220 [0,2,0,0,0,0|2,0,0]=4 2953 B6R0.5 CC(C)(C)CCN MCULE-6905943138 [0,2,0,0,0,0|2,0,0]=4 2954 B6R0.5 CC(C)(C)CCN MCULE-9954564734 [0,2,0,0,0,0|2,0,0]=4 2955 B6R0.5 CC(C)(C)CCO MCULE-3121776589 [0,2,0,0,0,0|1,0,0]=3 2956 B6R0.5 CC(C)(C)CON MCULE-2962518041 [0,2,0,0,0,0|2,0,0]=4 2957 B6R0.5 CC(C)(C)CON MCULE-7840185186 [0,2,0,0,0,0|2,0,0]=4 2958 B6R0.5 CC(C)(Cl)CCCl MCULE-1702128758 [0,2,0,0,0,0|2,0,0]=4 2959 B6R0.5 CC(C)(F)CCN MCULE-8439738647 [0,2,0,0,0,0|2,0,0]=4 2960 B6R0.5 CC(C)(F)CCN MCULE-9182730805 [0,2,0,0,0,0|2,0,0]=4 2961 B6R0.5 CC(C)(F)CCO MCULE-7157649991 [0,2,0,0,0,0|1,0,0]=3 2962 B6R0.5 CC(C)(I)CCO MCULE-2114317591 [0,2,0,0,0,0|1,0,0]=3 2963 B6R0.5 CC(C)(N)CCN MCULE-3524950958 [0,2,0,0,0,0|2,0,0]=4 2964 B6R0.5 CC(C)(N)CCN MCULE-9689616736 [0,2,0,0,0,0|2,0,0]=4 2965 B6R0.5 CC(C)(N)CCO MCULE-2300724181 [0,2,0,0,0,0|1,0,0]=3 2966 B6R0.5 CC(C)(N)CCO MCULE-7470688556 [0,2,0,0,0,0|1,0,0]=3 2967 B6R0.5 CC(C)(N)CON MCULE-2272035336 [0,2,0,0,0,0|2,0,0]=4 2968 B6R0.5 CC(C)(O)CC#N MCULE-9592545749 [0,2,0,0,0,0|2,0,0]=4 2969 B6R0.5 CC(C)(O)CCBr MCULE-5311251278 [0,2,0,0,0,0|2,0,0]=4 2970 B6R0.5 CC(C)(O)CCCl MCULE-2803507835 [0,2,0,0,0,0|2,0,0]=4 2971 B6R0.5 CC(C)(O)CCI MCULE-1822716730 [0,2,0,0,0,0|2,0,0]=4 2972 B6R0.5 CC(C)(O)CCN MCULE-1233177150 [0,2,0,0,0,0|2,0,0]=4 2973 B6R0.5 CC(C)(O)CCO MCULE-4723950851 [0,2,0,0,0,0|1,0,0]=3 2974 B6R0.5 CC(C)(O)CCS MCULE-5161173776 [0,2,0,0,0,0|1,1,0]=4 2975 B6R0.5 CC(C)(O)CNN MCULE-7127432403 [0,2,0,0,0,0|2,0,0]=4 2976 B6R0.5 CC(C)(O)CNN MCULE-8281516711 [0,2,0,0,0,0|2,0,0]=4 2977 B6R0.5 CC(C)(O)CON MCULE-1954965804 [0,2,0,0,0,0|1,0,0]=3 2978 B6R0.5 CC(C)(O)CON MCULE-9916686271 [0,2,0,0,0,0|1,0,0]=3 2979 B6R0.5 CC(C)(S)CCO MCULE-6218278668 [0,2,0,0,0,0|1,0,0]=3 2980 B6R0.5 CC(F)(F)CCBr MCULE-1559219051 [0,2,0,0,0,0|2,0,0]=4 2981 B6R0.5 CC(F)(F)CCN MCULE-2380721562 [0,2,0,0,0,0|2,0,0]=4 2982 B6R0.5 CC(F)(F)CCN MCULE-9299707465 [0,2,0,0,0,0|2,0,0]=4 2983 B6R0.5 CC(F)(F)CCO MCULE-6983720400 [0,2,0,0,0,0|1,0,0]=3 2984 B6R0.5 CC(F)(F)CON MCULE-6276721857 [0,2,0,0,0,0|2,0,0]=4 2985 B6R0.5 CC(F)(F)CON MCULE-9505701731 [0,2,0,0,0,0|2,0,0]=4 2986 B6R0.5 CCCC(C)(C)C MCULE-2309229328 [0,2,0,0,0,0|2,0,0]=4 2987 B6R0.5 CCCC(C)(C)Cl MCULE-1426018824 [0,2,0,0,0,0|2,0,0]=4 2988 B6R0.5 CCCC(C)(C)N MCULE-2670535144 [0,2,0,0,0,0|2,0,0]=4 2989 B6R0.5 CCCC(C)(C)N MCULE-4533125677 [0,2,0,0,0,0|2,0,0]=4 2990 B6R0.5 CCCC(C)(C)O MCULE-2647276101 [0,2,0,0,0,0|1,0,0]=3 2991 B6R0.5 CCCC(F)(F)F MCULE-2794391253 [0,2,0,0,0,0|2,0,0]=4 2992 B6R0.5 CCCP(=O)(O)O MCULE-3928382731 [0,2,0,0,0,0|2,0,0]=4 2993 B6R0.5 CCCS(=O)(=O)O MCULE-5213264344 [0,2,0,0,0,0|2,0,0]=4 2994 B6R0.5 CCC[N+](C)(C)C MCULE-4840113179 [0,2,0,0,0,0|2,0,0]=4 2995 B6R0.5 CCC[N+](C)(C)C MCULE-6374165176 [0,2,0,0,0,0|2,0,0]=4 2996 B6R0.5 CCC[N+](C)(C)C MCULE-6861938722 [0,2,0,0,0,0|2,0,0]=4 2997 B6R0.5 CCC[Si](C)(C)Cl MCULE-2174562638 [0,2,0,0,0,0|2,0,0]=4 2998 B6R0.5 CCC[Si](C)(Cl)Cl MCULE-9758606777 [0,2,0,0,0,0|2,0,0]=4 2999 B6R0.5 CNCC(C)(C)C MCULE-5731586976 [0,2,0,0,0,0|2,0,0]=4 3000 B6R0.5 CNCC(C)(C)C MCULE-8355958420 [0,2,0,0,0,0|2,0,0]=4 3001 B6R0.5 CNCC(C)(C)F MCULE-3351208185 [0,2,0,0,0,0|2,0,0]=4 3002 B6R0.5 CNCC(C)(C)F MCULE-9594646068 [0,2,0,0,0,0|2,0,0]=4 3003 B6R0.5 CNCC(C)(C)O MCULE-8014545354 [0,2,0,0,0,0|1,0,0]=3 3004 B6R0.5 CNCC(C)(C)O MCULE-8693265107 [0,2,0,0,0,0|1,0,0]=3 3005 B6R0.5 CNCC(F)(F)Br MCULE-3875907022 [0,2,0,0,0,0|2,0,0]=4 3006 B6R0.5 CNCC(F)(F)Br MCULE-9144529312 [0,2,0,0,0,0|2,0,0]=4 3007 B6R0.5 CNCC(F)(F)F MCULE-2786112035 [0,2,0,0,0,0|2,0,0]=4 3008 B6R0.5 CNCC(F)(F)F MCULE-7570450942 [0,2,0,0,0,0|2,0,0]=4 3009 B6R0.5 CNCP(=O)(O)O MCULE-6684762988 [0,2,0,0,0,0|2,0,0]=4 3010 B6R0.5 COCC(C)(C)N MCULE-1332913947 [0,2,0,0,0,0|1,0,0]=3 3011 B6R0.5 COCC(C)(C)N MCULE-9588666609 [0,2,0,0,0,0|1,0,0]=3 3012 B6R0.5 COCC(C)(C)O MCULE-2480013758 [0,2,0,0,0,0|0,0,0]=2 3013 B6R0.5 COCC(F)(F)F MCULE-6477665741 [0,2,0,0,0,0|1,0,0]=3 3014 B6R0.5 COC[B-](F)(F)F MCULE-1029915442 [0,2,0,0,0,0|2,0,0]=4 3015 B6R0.5 COC[B-](F)(F)F MCULE-4485528497 [0,2,0,0,0,0|2,0,0]=4 3016 B6R0.5 COC[Si](C)(C)C MCULE-5584229579 [0,2,0,0,0,0|1,1,0]=4 3017 B6R0.5 COC[Si](Cl)(Cl)Cl MCULE-1673455584 [0,2,0,0,0,0|1,1,0]=4 3018 B6R0.5 CS(=N)(=O)CCO MCULE-8018746796 [0,2,0,0,0,0|0,1,0]=3 3019 B6R0.5 CS(=O)(=O)CCBr MCULE-8646670232 [0,2,0,0,0,0|1,1,0]=4 3020 B6R0.5 CS(=O)(=O)CCCl MCULE-2793702743 [0,2,0,0,0,0|1,1,0]=4 3021 B6R0.5 CS(=O)(=O)CCN MCULE-1321841891 [0,2,0,0,0,0|1,1,0]=4 3022 B6R0.5 CS(=O)(=O)CCN MCULE-2288346161 [0,2,0,0,0,0|1,1,0]=4 3023 B6R0.5 CS(=O)(=O)CCN MCULE-7691141389 [0,2,0,0,0,0|1,1,0]=4 3024 B6R0.5 CS(=O)(=O)CCO MCULE-1589351176 [0,2,0,0,0,0|0,1,0]=3 3025 B6R0.5 CS(=O)(=O)CCS MCULE-9115674422 [0,2,0,0,0,0|0,2,0]=4 3026 B6R0.5 CSCC(C)(C)N MCULE-9697189381 [0,2,0,0,0,0|1,1,0]=4 3027 B6R0.5 C[N+](C)(C)CCBr MCULE-2368072196 [0,2,0,0,0,0|2,0,0]=4 3028 B6R0.5 C[N+](C)(C)CCBr MCULE-5324488073 [0,2,0,0,0,0|2,0,0]=4 3029 B6R0.5 C[N+](C)(C)CCCl MCULE-4654671217 [0,2,0,0,0,0|2,0,0]=4 3030 B6R0.5 C[N+](C)(C)CCCl MCULE-5943183618 [0,2,0,0,0,0|2,0,0]=4 3031 B6R0.5 C[N+](C)(C)CCF MCULE-6144278057 [0,2,0,0,0,0|2,0,0]=4 3032 B6R0.5 C[N+](C)(C)CCF MCULE-8462212061 [0,2,0,0,0,0|2,0,0]=4 3033 B6R0.5 C[N+](C)(C)CCI MCULE-4250272474 [0,2,0,0,0,0|2,0,0]=4 3034 B6R0.5 C[N+](C)(C)CCI MCULE-6980062227 [0,2,0,0,0,0|2,0,0]=4 3035 B6R0.5 C[N+](C)(C)CCN MCULE-3293219115 [0,2,0,0,0,0|2,0,0]=4 3036 B6R0.5 C[N+](C)(C)CCN MCULE-8852245898 [0,2,0,0,0,0|2,0,0]=4 3037 B6R0.5 C[N+](C)(C)CCN MCULE-9184903626 [0,2,0,0,0,0|2,0,0]=4 3038 B6R0.5 C[N+](C)(C)CCO MCULE-3010919014 [0,2,0,0,0,0|1,0,0]=3 3039 B6R0.5 C[N+](C)(C)CCO MCULE-3528185452 [0,2,0,0,0,0|1,0,0]=3 3040 B6R0.5 C[N+](C)(C)CCO MCULE-4172409716 [0,2,0,0,0,0|1,0,0]=3 3041 B6R0.5 C[N+](C)(C)CCO MCULE-7472714268 [0,2,0,0,0,0|1,0,0]=3 3042 B6R0.5 C[N+](C)(C)CCO MCULE-7712564949 [0,2,0,0,0,0|1,0,0]=3 3043 B6R0.5 C[N+](C)(C)CCO MCULE-7734259295 [0,2,0,0,0,0|1,0,0]=3 3044 B6R0.5 C[N+](C)(C)CCO MCULE-8298385594 [0,2,0,0,0,0|1,0,0]=3 3045 B6R0.5 C[N+](C)(C)CCS MCULE-9130259009 [0,2,0,0,0,0|1,1,0]=4 3046 B6R0.5 C[N+](C)(C)CCS MCULE-9495273519 [0,2,0,0,0,0|1,1,0]=4 3047 B6R0.5 C[N+](C)(N)CCCl MCULE-8152821505 [0,2,0,0,0,0|2,0,0]=4 3048 B6R0.5 C[N+](C)(N)CCCl MCULE-9237621518 [0,2,0,0,0,0|2,0,0]=4 3049 B6R0.5 C[Si](C)(C)CCBr MCULE-6991513303 [0,2,0,0,0,0|2,0,0]=4 3050 B6R0.5 C[Si](C)(C)CCCl MCULE-6700650458 [0,2,0,0,0,0|2,0,0]=4 3051 B6R0.5 C[Si](C)(C)CCN MCULE-2403043655 [0,2,0,0,0,0|2,0,0]=4 3052 B6R0.5 C[Si](C)(C)CCN MCULE-8743826240 [0,2,0,0,0,0|2,0,0]=4 3053 B6R0.5 C[Si](C)(C)CCO MCULE-3912098564 [0,2,0,0,0,0|1,0,0]=3 3054 B6R0.5 C[Si](C)(C)CCS MCULE-5201039482 [0,2,0,0,0,0|1,1,0]=4 3055 B6R0.5 C[Si](Cl)(Cl)CCCl MCULE-2114111230 [0,2,0,0,0,0|2,0,0]=4 3056 B6R0.5 NOCC(F)(F)F MCULE-2794278304 [0,2,0,0,0,0|2,0,0]=4 3057 B6R0.5 NOCC(F)(F)F MCULE-3280554232 [0,2,0,0,0,0|2,0,0]=4 3058 B6R0.5 NS(=O)(=O)CCO MCULE-2612328809 [0,2,0,0,0,0|1,1,0]=4 3059 B6R0.5 O=P(O)(O)CCO MCULE-9752100956 [0,2,0,0,0,0|2,0,0]=4 3060 B6R0.5 O=S(=O)(Cl)CCO MCULE-8335645741 [0,2,0,0,0,0|1,1,0]=4 3061 B6R0.5 O=S(=O)(F)CCO MCULE-5940944774 [0,2,0,0,0,0|1,1,0]=4 3062 B6R0.5 O=S(=O)(O)CCO MCULE-8075949368 [0,2,0,0,0,0|1,1,0]=4 3063 B6R0.5 O=S(=O)([O-])CCO MCULE-2371191982 [0,2,0,0,0,0|1,1,0]=4 3064 B6R0.5 O=S(=O)([O-])CCO MCULE-5592842641 [0,2,0,0,0,0|1,1,0]=4 3065 B6R0.5 O=S(=O)([O-])CCO MCULE-7262663037 [0,2,0,0,0,0|1,1,0]=4 3066 B6R0.5 OCCC(F)(F)F MCULE-1784497575 [0,2,0,0,0,0|2,0,0]=4 3067 B6R0.6 BrCCCCCBr MCULE-7929769310 [0,2,0,0,0,0|2,0,0]=4 3068 B6R0.6 BrCCNCCBr MCULE-8656215402 [0,2,0,0,0,0|2,0,0]=4 3069 B6R0.6 BrCCOCCBr MCULE-7971589019 [0,2,0,0,0,0|1,0,0]=3 3070 B6R0.6 BrCCSCCBr MCULE-9680858393 [0,2,0,0,0,0|1,1,0]=4 3071 B6R0.6 BrCC[NH2+]CCBr MCULE-8263104784 [0,2,0,0,0,0|2,0,0]=4 3072 B6R0.6 C#CCCCCBr MCULE-9086746106 [0,2,0,0,0,0|2,0,0]=4 3073 B6R0.6 C#CCCCCC MCULE-7776756434 [0,2,0,0,0,0|2,0,0]=4 3074 B6R0.6 C#CCCCCCl MCULE-3718113550 [0,2,0,0,0,0|2,0,0]=4 3075 B6R0.6 C#CCCCCI MCULE-6799128140 [0,2,0,0,0,0|2,0,0]=4 3076 B6R0.6 C#CCCCCN MCULE-1313888655 [0,2,0,0,0,0|2,0,0]=4 3077 B6R0.6 C#CCCCCN MCULE-5521830994 [0,2,0,0,0,0|2,0,0]=4 3078 B6R0.6 C#CCCCCO MCULE-2977997146 [0,2,0,0,0,0|1,0,0]=3 3079 B6R0.6 C#CCCCNC MCULE-4472877921 [0,2,0,0,0,0|2,0,0]=4 3080 B6R0.6 C#CCCCNC MCULE-9185657315 [0,2,0,0,0,0|2,0,0]=4 3081 B6R0.6 C#CCCCOC MCULE-3174650949 [0,2,0,0,0,0|1,0,0]=3 3082 B6R0.6 C#CCCCON MCULE-5269610423 [0,2,0,0,0,0|1,0,1]=4 3083 B6R0.6 C#CCCSCC MCULE-1094584940 [0,2,0,0,0,0|1,1,0]=4 3084 B6R0.6 C#CCNCCC MCULE-7880884278 [0,2,0,0,0,0|2,0,0]=4 3085 B6R0.6 C#CCNCCC MCULE-8975069665 [0,2,0,0,0,0|2,0,0]=4 3086 B6R0.6 C#CCNCCF MCULE-4170618564 [0,2,0,0,0,0|2,0,0]=4 3087 B6R0.6 C#CCNCCF MCULE-9423438350 [0,2,0,0,0,0|2,0,0]=4 3088 B6R0.6 C#CCNCCO MCULE-4984192820 [0,2,0,0,0,0|1,0,0]=3 3089 B6R0.6 C#CCOCC#C MCULE-8251512824 [0,2,0,0,0,0|1,0,1]=4 3090 B6R0.6 C#CCOCCBr MCULE-5950372691 [0,2,0,0,0,0|1,0,0]=3 3091 B6R0.6 C#CCOCCI MCULE-1768726531 [0,2,0,0,0,0|1,0,0]=3 3092 B6R0.6 C#CCOCCN MCULE-3709649461 [0,2,0,0,0,0|1,0,0]=3 3093 B6R0.6 C#CCOCCN MCULE-5750437888 [0,2,0,0,0,0|1,0,0]=3 3094 B6R0.6 C#CCOCCO MCULE-4502913039 [0,2,0,0,0,0|0,0,0]=2 3095 B6R0.6 C#CCSCCN MCULE-2934790818 [0,2,0,0,0,0|1,1,0]=4 3096 B6R0.6 C#CCSCCN MCULE-8370704639 [0,2,0,0,0,0|1,1,0]=4 3097 B6R0.6 C#CCSCCO MCULE-6167723961 [0,2,0,0,0,0|0,1,0]=3 3098 B6R0.6 C(=C/CCC)\CO MCULE-6491762150 [0,2,0,0,0,0|1,0,0]=3 3099 B6R0.6 C/C=C/C=C/CO MCULE-3717958585 [0,2,0,0,0,0|1,0,1]=4 3100 B6R0.6 C/C=C/CCCC MCULE-6900331316 [0,2,0,0,0,0|2,0,0]=4 3101 B6R0.6 C/C=C/CCCO MCULE-9865436125 [0,2,0,0,0,0|1,0,0]=3 3102 B6R0.6 C/C=C\CCCC MCULE-8426867799 [0,2,0,0,0,0|2,0,0]=4 3103 B6R0.6 C/C=C\CCCO MCULE-3169839661 [0,2,0,0,0,0|1,0,0]=3 3104 B6R0.6 C=CC=CCCO MCULE-5956097722 [0,2,0,0,0,0|1,0,1]=4 3105 B6R0.6 C=CCC#CCO MCULE-2958886356 [0,2,0,0,0,0|1,0,1]=4 3106 B6R0.6 C=CCC/C=C/C MCULE-3936427871 [0,2,0,0,0,0|2,0,0]=4 3107 B6R0.6 C=CCCC=CC MCULE-6481809840 [0,2,0,0,0,0|2,0,0]=4 3108 B6R0.6 C=CCCCCBr MCULE-4313298656 [0,2,0,0,0,0|2,0,0]=4 3109 B6R0.6 C=CCCCCC MCULE-5868303078 [0,2,0,0,0,0|2,0,0]=4 3110 B6R0.6 C=CCCCCCl MCULE-7600727876 [0,2,0,0,0,0|2,0,0]=4 3111 B6R0.6 C=CCCCCI MCULE-5694143061 [0,2,0,0,0,0|2,0,0]=4 3112 B6R0.6 C=CCCCCN MCULE-1489231988 [0,2,0,0,0,0|2,0,0]=4 3113 B6R0.6 C=CCCCCN MCULE-4288584778 [0,2,0,0,0,0|2,0,0]=4 3114 B6R0.6 C=CCCCCO MCULE-3631432277 [0,2,0,0,0,0|1,0,0]=3 3115 B6R0.6 C=CCCCNC MCULE-6696525157 [0,2,0,0,0,0|2,0,0]=4 3116 B6R0.6 C=CCCCNC MCULE-7417274044 [0,2,0,0,0,0|2,0,0]=4 3117 B6R0.6 C=CCCCON MCULE-6496647420 [0,2,0,0,0,0|1,0,1]=4 3118 B6R0.6 C=CCCCON MCULE-7055713530 [0,2,0,0,0,0|1,0,1]=4 3119 B6R0.6 C=CCNCCC MCULE-4239068147 [0,2,0,0,0,0|2,0,0]=4 3120 B6R0.6 C=CCNCCC MCULE-9778489216 [0,2,0,0,0,0|2,0,0]=4 3121 B6R0.6 C=CCNCCO MCULE-5860509324 [0,2,0,0,0,0|1,0,0]=3 3122 B6R0.6 C=CCOCC=C MCULE-1121686176 [0,2,0,0,0,0|1,0,1]=4 3123 B6R0.6 C=CCOCC=O MCULE-8507800253 [0,2,0,0,0,0|0,0,2]=4 3124 B6R0.6 C=CCOCCBr MCULE-7565992230 [0,2,0,0,0,0|1,0,0]=3 3125 B6R0.6 C=CCOCCCl MCULE-1353236332 [0,2,0,0,0,0|1,0,0]=3 3126 B6R0.6 C=CCOCCI MCULE-8468439129 [0,2,0,0,0,0|1,0,0]=3 3127 B6R0.6 C=CCOCCN MCULE-5411259412 [0,2,0,0,0,0|1,0,0]=3 3128 B6R0.6 C=CCOCCN MCULE-9798285838 [0,2,0,0,0,0|1,0,0]=3 3129 B6R0.6 C=CCOCCO MCULE-5718868633 [0,2,0,0,0,0|0,0,0]=2 3130 B6R0.6 C=CCOCOC MCULE-6553342654 [0,2,0,0,0,0|1,0,0]=3 3131 B6R0.6 C=CCSCCC MCULE-3855352363 [0,2,0,0,0,0|1,1,0]=4 3132 B6R0.6 C=CCSCCN MCULE-3972995930 [0,2,0,0,0,0|1,1,0]=4 3133 B6R0.6 C=CCSCCN MCULE-9922932955 [0,2,0,0,0,0|1,1,0]=4 3134 B6R0.6 C=COCCCC MCULE-2025922328 [0,2,0,0,0,0|1,0,0]=3 3135 B6R0.6 C=COCCCN MCULE-1669664157 [0,2,0,0,0,0|1,0,1]=4 3136 B6R0.6 C=COCCCO MCULE-8325617945 [0,2,0,0,0,0|0,0,1]=3 3137 B6R0.6 C=COCCOC MCULE-6845218696 [0,2,0,0,0,0|0,0,0]=2 3138 B6R0.6 C=COCCON MCULE-8247202981 [0,2,0,0,0,0|0,0,1]=3 3139 B6R0.6 CC#CCCCBr MCULE-8545908172 [0,2,0,0,0,0|2,0,0]=4 3140 B6R0.6 CC#CCCCC MCULE-1899332515 [0,2,0,0,0,0|2,0,0]=4 3141 B6R0.6 CC#CCCCO MCULE-6502564684 [0,2,0,0,0,0|1,0,0]=3 3142 B6R0.6 CC/C=C/CCC MCULE-5222700461 [0,2,0,0,0,0|2,0,0]=4 3143 B6R0.6 CC/C=C/CCO MCULE-9853729917 [0,2,0,0,0,0|1,0,0]=3 3144 B6R0.6 CC/C=C\CCO MCULE-9206958060 [0,2,0,0,0,0|1,0,0]=3 3145 B6R0.6 CC=CC=CCO MCULE-1802738822 [0,2,0,0,0,0|1,0,1]=4 3146 B6R0.6 CC=CCCCBr MCULE-1109208969 [0,2,0,0,0,0|2,0,0]=4 3147 B6R0.6 CC=CCCCC MCULE-7277981733 [0,2,0,0,0,0|2,0,0]=4 3148 B6R0.6 CC=CCCCCl MCULE-7487798637 [0,2,0,0,0,0|2,0,0]=4 3149 B6R0.6 CC=CCCCO MCULE-1401303632 [0,2,0,0,0,0|1,0,0]=3 3150 B6R0.6 CC=CSCCC MCULE-3534082442 [0,2,0,0,0,0|1,1,0]=4 3151 B6R0.6 CCC#CCCBr MCULE-2188447221 [0,2,0,0,0,0|2,0,0]=4 3152 B6R0.6 CCC#CCCC MCULE-9615607532 [0,2,0,0,0,0|2,0,0]=4 3153 B6R0.6 CCC#CCCO MCULE-1699744538 [0,2,0,0,0,0|1,0,0]=3 3154 B6R0.6 CCC=CCCBr MCULE-7873583643 [0,2,0,0,0,0|2,0,0]=4 3155 B6R0.6 CCC=CCCC MCULE-3739501724 [0,2,0,0,0,0|2,0,0]=4 3156 B6R0.6 CCC=CCCI MCULE-9416216252 [0,2,0,0,0,0|2,0,0]=4 3157 B6R0.6 CCC=CCCO MCULE-1781375433 [0,2,0,0,0,0|1,0,0]=3 3158 B6R0.6 CCC=COCC MCULE-1991976030 [0,2,0,0,0,0|1,0,1]=4 3159 B6R0.6 CCCC#CCO MCULE-8352024607 [0,2,0,0,0,0|1,0,0]=3 3160 B6R0.6 CCCC=CCBr MCULE-2474104566 [0,2,0,0,0,0|2,0,0]=4 3161 B6R0.6 CCCC=CCO MCULE-3204738641 [0,2,0,0,0,0|1,0,0]=3 3162 B6R0.6 CCCCCC#N MCULE-7596791521 [0,2,0,0,0,0|2,0,0]=4 3163 B6R0.6 CCCCCC=O MCULE-6770578514 [0,2,0,0,0,0|1,0,1]=4 3164 B6R0.6 CCCCCCBr MCULE-6022503394 [0,2,0,0,0,0|2,0,0]=4 3165 B6R0.6 CCCCCCC MCULE-5817084747 [0,2,0,0,0,0|2,0,0]=4 3166 B6R0.6 CCCCCCCl MCULE-3706149525 [0,2,0,0,0,0|2,0,0]=4 3167 B6R0.6 CCCCCCF MCULE-4320903575 [0,2,0,0,0,0|2,0,0]=4 3168 B6R0.6 CCCCCCI MCULE-1021236615 [0,2,0,0,0,0|2,0,0]=4 3169 B6R0.6 CCCCCCN MCULE-2944455155 [0,2,0,0,0,0|2,0,0]=4 3170 B6R0.6 CCCCCCN MCULE-6014217174 [0,2,0,0,0,0|2,0,0]=4 3171 B6R0.6 CCCCCCN MCULE-6021451227 [0,2,0,0,0,0|2,0,0]=4 3172 B6R0.6 CCCCCCO MCULE-4299150163 [0,2,0,0,0,0|1,0,0]=3 3173 B6R0.6 CCCCCCS MCULE-5962964855 [0,2,0,0,0,0|1,1,0]=4 3174 B6R0.6 CCCCCNC MCULE-8082703734 [0,2,0,0,0,0|2,0,0]=4 3175 B6R0.6 CCCCCNN MCULE-5089668540 [0,2,0,0,0,0|2,0,0]=4 3176 B6R0.6 CCCCCNN MCULE-7265120524 [0,2,0,0,0,0|2,0,0]=4 3177 B6R0.6 CCCCCOC MCULE-3370181741 [0,2,0,0,0,0|1,0,0]=3 3178 B6R0.6 CCCCCON MCULE-5372426564 [0,2,0,0,0,0|1,0,0]=3 3179 B6R0.6 CCCCCON MCULE-8557641459 [0,2,0,0,0,0|1,0,0]=3 3180 B6R0.6 CCCCCSC MCULE-6566108868 [0,2,0,0,0,0|1,1,0]=4 3181 B6R0.6 CCCCN=C=O MCULE-3381327717 [0,2,0,0,0,0|1,0,1]=4 3182 B6R0.6 CCCCN=C=S MCULE-3952129182 [0,2,0,0,0,0|1,1,0]=4 3183 B6R0.6 CCCCN=N#N MCULE-4207638779 [0,2,0,0,0,0|2,0,0]=4 3184 B6R0.6 CCCCNC=O MCULE-8821792924 [0,2,0,0,0,0|1,0,1]=4 3185 B6R0.6 CCCCNCC MCULE-8816750429 [0,2,0,0,0,0|2,0,0]=4 3186 B6R0.6 CCCCNOC MCULE-4265481432 [0,2,0,0,0,0|1,0,0]=3 3187 B6R0.6 CCCCOC=O MCULE-4633421026 [0,2,0,0,0,0|1,0,0]=3 3188 B6R0.6 CCCCOCC MCULE-5662731951 [0,2,0,0,0,0|1,0,0]=3 3189 B6R0.6 CCCCOCCl MCULE-5282964693 [0,2,0,0,0,0|1,0,0]=3 3190 B6R0.6 CCCCON=O MCULE-9992790020 [0,2,0,0,0,0|1,0,0]=3 3191 B6R0.6 CCCCSC#N MCULE-4585387956 [0,2,0,0,0,0|1,1,0]=4 3192 B6R0.6 CCCCSCC MCULE-4832924468 [0,2,0,0,0,0|1,1,0]=4 3193 B6R0.6 CCCCSCCl MCULE-4907770015 [0,2,0,0,0,0|1,1,0]=4 3194 B6R0.6 CCCNCC#N MCULE-3452380054 [0,2,0,0,0,0|2,0,0]=4 3195 B6R0.6 CCCNCCC MCULE-1452672638 [0,2,0,0,0,0|2,0,0]=4 3196 B6R0.6 CCCNCCC MCULE-6223802621 [0,2,0,0,0,0|2,0,0]=4 3197 B6R0.6 CCCNCCC MCULE-6789654118 [0,2,0,0,0,0|2,0,0]=4 3198 B6R0.6 CCCNCCN MCULE-2288945868 [0,2,0,0,0,0|2,0,0]=4 3199 B6R0.6 CCCNCCO MCULE-4813687741 [0,2,0,0,0,0|1,0,0]=3 3200 B6R0.6 CCCNOCC MCULE-1349462426 [0,2,0,0,0,0|1,0,0]=3 3201 B6R0.6 CCCNOCC MCULE-7159087335 [0,2,0,0,0,0|1,0,0]=3 3202 B6R0.6 CCCOCC#N MCULE-7011471802 [0,2,0,0,0,0|1,0,0]=3 3203 B6R0.6 CCCOCCC MCULE-1390130917 [0,2,0,0,0,0|1,0,0]=3 3204 B6R0.6 CCCOCCCl MCULE-6561613708 [0,2,0,0,0,0|1,0,0]=3 3205 B6R0.6 CCCOCCI MCULE-5330098176 [0,2,0,0,0,0|1,0,0]=3 3206 B6R0.6 CCCOCCN MCULE-1987261931 [0,2,0,0,0,0|1,0,0]=3 3207 B6R0.6 CCCOCCN MCULE-9033871038 [0,2,0,0,0,0|1,0,0]=3 3208 B6R0.6 CCCOCCO MCULE-3263526264 [0,2,0,0,0,0|0,0,0]=2 3209 B6R0.6 CCCSCCC MCULE-5531652471 [0,2,0,0,0,0|1,1,0]=4 3210 B6R0.6 CCCSCCN MCULE-3934428121 [0,2,0,0,0,0|1,1,0]=4 3211 B6R0.6 CCCSCCN MCULE-5705755172 [0,2,0,0,0,0|1,1,0]=4 3212 B6R0.6 CCCSCCO MCULE-8371796663 [0,2,0,0,0,0|0,1,0]=3 3213 B6R0.6 CCCSSCC MCULE-7192921435 [0,2,0,0,0,0|1,1,0]=4 3214 B6R0.6 CCNCCC#N MCULE-8589229962 [0,2,0,0,0,0|2,0,0]=4 3215 B6R0.6 CCNCCCN MCULE-5811169148 [0,2,0,0,0,0|2,0,0]=4 3216 B6R0.6 CCNCCCO MCULE-3251610052 [0,2,0,0,0,0|1,0,0]=3 3217 B6R0.6 CCNCCNC MCULE-9372339393 [0,2,0,0,0,0|2,0,0]=4 3218 B6R0.6 CCNCCOC MCULE-1476772953 [0,2,0,0,0,0|1,0,0]=3 3219 B6R0.6 CCNCCOC MCULE-6652489795 [0,2,0,0,0,0|1,0,0]=3 3220 B6R0.6 CCNCCSC MCULE-1736157320 [0,2,0,0,0,0|1,1,0]=4 3221 B6R0.6 CCNCCSC MCULE-9369049891 [0,2,0,0,0,0|1,1,0]=4 3222 B6R0.6 CCOCCC#N MCULE-4907543374 [0,2,0,0,0,0|1,0,0]=3 3223 B6R0.6 CCOCCC=O MCULE-1664130148 [0,2,0,0,0,0|0,0,1]=3 3224 B6R0.6 CCOCCCBr MCULE-6544747281 [0,2,0,0,0,0|1,0,0]=3 3225 B6R0.6 CCOCCCCl MCULE-8523618681 [0,2,0,0,0,0|1,0,0]=3 3226 B6R0.6 CCOCCCI MCULE-6640732668 [0,2,0,0,0,0|1,0,0]=3 3227 B6R0.6 CCOCCCN MCULE-3491529722 [0,2,0,0,0,0|1,0,0]=3 3228 B6R0.6 CCOCCCO MCULE-3077567484 [0,2,0,0,0,0|0,0,0]=2 3229 B6R0.6 CCOCCNC MCULE-5244682559 [0,2,0,0,0,0|1,0,0]=3 3230 B6R0.6 CCOCCNC MCULE-9344296133 [0,2,0,0,0,0|1,0,0]=3 3231 B6R0.6 CCOCCNN MCULE-2995792378 [0,2,0,0,0,0|1,0,0]=3 3232 B6R0.6 CCOCCNN MCULE-7756116612 [0,2,0,0,0,0|1,0,0]=3 3233 B6R0.6 CCOCCOC MCULE-2753000412 [0,2,0,0,0,0|0,0,0]=2 3234 B6R0.6 CCOCCON MCULE-6072859154 [0,2,0,0,0,0|0,0,0]=2 3235 B6R0.6 CCOCCON MCULE-7716477934 [0,2,0,0,0,0|0,0,0]=2 3236 B6R0.6 CCOCOCC MCULE-3885854108 [0,2,0,0,0,0|1,0,0]=3 3237 B6R0.6 CCSCCC=O MCULE-2493452950 [0,2,0,0,0,0|0,1,1]=4 3238 B6R0.6 CCSCCCBr MCULE-5143634954 [0,2,0,0,0,0|1,1,0]=4 3239 B6R0.6 CCSCCCN MCULE-4566450606 [0,2,0,0,0,0|1,1,0]=4 3240 B6R0.6 CCSCCCO MCULE-6719011943 [0,2,0,0,0,0|0,1,0]=3 3241 B6R0.6 CCSCCNC MCULE-6159594076 [0,2,0,0,0,0|1,1,0]=4 3242 B6R0.6 CCSCCNC MCULE-6696154047 [0,2,0,0,0,0|1,1,0]=4 3243 B6R0.6 CCSCSCC MCULE-6005869091 [0,2,0,0,0,0|1,1,0]=4 3244 B6R0.6 CNCC#CCO MCULE-4900527922 [0,2,0,0,0,0|1,0,0]=3 3245 B6R0.6 CNCCCC#N MCULE-2995077554 [0,2,0,0,0,0|2,0,0]=4 3246 B6R0.6 CNCCCC#N MCULE-4831210709 [0,2,0,0,0,0|2,0,0]=4 3247 B6R0.6 CNCCCCBr MCULE-4148452640 [0,2,0,0,0,0|2,0,0]=4 3248 B6R0.6 CNCCCCBr MCULE-8686440557 [0,2,0,0,0,0|2,0,0]=4 3249 B6R0.6 CNCCCCCl MCULE-1170786568 [0,2,0,0,0,0|2,0,0]=4 3250 B6R0.6 CNCCCCCl MCULE-1726466829 [0,2,0,0,0,0|2,0,0]=4 3251 B6R0.6 CNCCCCN MCULE-2542685963 [0,2,0,0,0,0|2,0,0]=4 3252 B6R0.6 CNCCCCN MCULE-7925344560 [0,2,0,0,0,0|2,0,0]=4 3253 B6R0.6 CNCCCCO MCULE-9264393637 [0,2,0,0,0,0|1,0,0]=3 3254 B6R0.6 CNCCCNC MCULE-3840224541 [0,2,0,0,0,0|2,0,0]=4 3255 B6R0.6 CNCCCOC MCULE-4057126907 [0,2,0,0,0,0|1,0,0]=3 3256 B6R0.6 CNCCCOC MCULE-8552551858 [0,2,0,0,0,0|1,0,0]=3 3257 B6R0.6 CNCCCSC MCULE-6553998750 [0,2,0,0,0,0|1,1,0]=4 3258 B6R0.6 CNOCCOC MCULE-2652662364 [0,2,0,0,0,0|0,0,0]=2 3259 B6R0.6 CNOCCOC MCULE-3394597000 [0,2,0,0,0,0|0,0,0]=2 3260 B6R0.6 CO/N=C/NOC MCULE-8041255040 [0,2,0,0,0,0|1,0,1]=4 3261 B6R0.6 COC=CCC#N MCULE-8939260341 [0,2,0,0,0,0|1,0,1]=4 3262 B6R0.6 COCC#CCCl MCULE-2143739767 [0,2,0,0,0,0|1,0,0]=3 3263 B6R0.6 COCCCC#N MCULE-8739581354 [0,2,0,0,0,0|1,0,0]=3 3264 B6R0.6 COCCCC=O MCULE-2055914202 [0,2,0,0,0,0|0,0,1]=3 3265 B6R0.6 COCCCCBr MCULE-7500019583 [0,2,0,0,0,0|1,0,0]=3 3266 B6R0.6 COCCCCCl MCULE-3863170338 [0,2,0,0,0,0|1,0,0]=3 3267 B6R0.6 COCCCCN MCULE-9584631056 [0,2,0,0,0,0|1,0,0]=3 3268 B6R0.6 COCCCCO MCULE-2543196930 [0,2,0,0,0,0|0,0,0]=2 3269 B6R0.6 COCCCCO MCULE-8659106280 [0,2,0,0,0,0|0,0,0]=2 3270 B6R0.6 COCCCNN MCULE-5097653856 [0,2,0,0,0,0|1,0,0]=3 3271 B6R0.6 COCCCNN MCULE-7758841774 [0,2,0,0,0,0|1,0,0]=3 3272 B6R0.6 COCCCOC MCULE-5003816236 [0,2,0,0,0,0|0,0,0]=2 3273 B6R0.6 COCCCON MCULE-3859091617 [0,2,0,0,0,0|0,0,0]=2 3274 B6R0.6 COCCCON MCULE-4419390097 [0,2,0,0,0,0|0,0,0]=2 3275 B6R0.6 COCCN=C=O MCULE-7139432642 [0,2,0,0,0,0|0,0,1]=3 3276 B6R0.6 COCCN=C=S MCULE-4661994491 [0,2,0,0,0,0|0,1,0]=3 3277 B6R0.6 COCCN=N#N MCULE-2613703286 [0,2,0,0,0,0|1,0,0]=3 3278 B6R0.6 COCCNC=O MCULE-9003279073 [0,2,0,0,0,0|0,0,1]=3 3279 B6R0.6 COCCOCCl MCULE-6701095927 [0,2,0,0,0,0|0,0,0]=2 3280 B6R0.6 COCOCCBr MCULE-8856323357 [0,2,0,0,0,0|1,0,0]=3 3281 B6R0.6 COCOCCI MCULE-4444019738 [0,2,0,0,0,0|1,0,0]=3 3282 B6R0.6 COCOCCN MCULE-7974740048 [0,2,0,0,0,0|1,0,0]=3 3283 B6R0.6 COCOCCO MCULE-8093241209 [0,2,0,0,0,0|0,0,0]=2 3284 B6R0.6 COCOCOC MCULE-9183615159 [0,2,0,0,0,0|0,0,0]=2 3285 B6R0.6 CONCCCN MCULE-4780444103 [0,2,0,0,0,0|1,0,0]=3 3286 B6R0.6 CONCCCN MCULE-6095720673 [0,2,0,0,0,0|1,0,0]=3 3287 B6R0.6 CONCCCN MCULE-9121351484 [0,2,0,0,0,0|1,0,0]=3 3288 B6R0.6 CSCCCC=O MCULE-6353729217 [0,2,0,0,0,0|0,1,1]=4 3289 B6R0.6 CSCCCCN MCULE-2391033479 [0,2,0,0,0,0|1,1,0]=4 3290 B6R0.6 CSCCCCO MCULE-1045422424 [0,2,0,0,0,0|0,1,0]=3 3291 B6R0.6 CSCCCON MCULE-2543326517 [0,2,0,0,0,0|0,1,0]=3 3292 B6R0.6 CSCCCSC MCULE-6993538101 [0,2,0,0,0,0|0,2,0]=4 3293 B6R0.6 CSCCN=C=O MCULE-4217751051 [0,2,0,0,0,0|0,1,1]=4 3294 B6R0.6 CSCCN=C=S MCULE-4977130724 [0,2,0,0,0,0|0,2,0]=4 3295 B6R0.6 CSCCN=N#N MCULE-6952720817 [0,2,0,0,0,0|1,1,0]=4 3296 B6R0.6 ClCCCCCBr MCULE-6767883252 [0,2,0,0,0,0|2,0,0]=4 3297 B6R0.6 ClCCCCCCl MCULE-9302388009 [0,2,0,0,0,0|2,0,0]=4 3298 B6R0.6 ClCCCCCI MCULE-2173931817 [0,2,0,0,0,0|2,0,0]=4 3299 B6R0.6 ClCCNCCCl MCULE-2453447059 [0,2,0,0,0,0|2,0,0]=4 3300 B6R0.6 ClCCOCCCl MCULE-2189904184 [0,2,0,0,0,0|1,0,0]=3 3301 B6R0.6 ClCCOCCI MCULE-8666203040 [0,2,0,0,0,0|1,0,0]=3 3302 B6R0.6 FCCCCCBr MCULE-1314383985 [0,2,0,0,0,0|2,0,0]=4 3303 B6R0.6 ICCCCCI MCULE-2889089700 [0,2,0,0,0,0|2,0,0]=4 3304 B6R0.6 ICCOCCI MCULE-8427607007 [0,2,0,0,0,0|1,0,0]=3 3305 B6R0.6 N#CCC=CCO MCULE-6995751332 [0,2,0,0,0,0|1,0,1]=4 3306 B6R0.6 N#CCCCCBr MCULE-7152608116 [0,2,0,0,0,0|2,0,0]=4 3307 B6R0.6 N#CCCCCCl MCULE-9317036806 [0,2,0,0,0,0|2,0,0]=4 3308 B6R0.6 N#CCCCCF MCULE-1200512715 [0,2,0,0,0,0|2,0,0]=4 3309 B6R0.6 N#CCCCCI MCULE-8000340428 [0,2,0,0,0,0|2,0,0]=4 3310 B6R0.6 N#CCCCCN MCULE-4183048720 [0,2,0,0,0,0|2,0,0]=4 3311 B6R0.6 N#CCCCCN MCULE-4775375165 [0,2,0,0,0,0|2,0,0]=4 3312 B6R0.6 N#CCCCCO MCULE-4289736283 [0,2,0,0,0,0|1,0,0]=3 3313 B6R0.6 N#CCCCCS MCULE-6284171080 [0,2,0,0,0,0|1,1,0]=4 3314 B6R0.6 N#CCOCCCl MCULE-7348074062 [0,2,0,0,0,0|1,0,0]=3 3315 B6R0.6 N#N=NCCCO MCULE-3148876760 [0,2,0,0,0,0|2,0,0]=4 3316 B6R0.6 NCC=CCCN MCULE-5058870063 [0,2,0,0,0,0|2,0,0]=4 3317 B6R0.6 NCC=CCCN MCULE-6332692206 [0,2,0,0,0,0|2,0,0]=4 3318 B6R0.6 NCCCCCBr MCULE-3577483607 [0,2,0,0,0,0|2,0,0]=4 3319 B6R0.6 NCCCCCBr MCULE-7572691537 [0,2,0,0,0,0|2,0,0]=4 3320 B6R0.6 NCCCCCF MCULE-1057270243 [0,2,0,0,0,0|2,0,0]=4 3321 B6R0.6 NCCCCCN MCULE-3785554987 [0,2,0,0,0,0|2,0,0]=4 3322 B6R0.6 NCCCCCN MCULE-5173983982 [0,2,0,0,0,0|2,0,0]=4 3323 B6R0.6 NCCCCCO MCULE-8877250712 [0,2,0,0,0,0|1,0,0]=3 3324 B6R0.6 NCCCCCS MCULE-1813104379 [0,2,0,0,0,0|1,1,0]=4 3325 B6R0.6 NCCCCCS MCULE-6081835870 [0,2,0,0,0,0|1,1,0]=4 3326 B6R0.6 NCCCCNO MCULE-6478748569 [0,2,0,0,0,0|1,0,0]=3 3327 B6R0.6 NCCNCCCl MCULE-8909584172 [0,2,0,0,0,0|2,0,0]=4 3328 B6R0.6 NCCNCCCl MCULE-9412103836 [0,2,0,0,0,0|2,0,0]=4 3329 B6R0.6 NCCNCCN MCULE-4710767146 [0,2,0,0,0,0|2,0,0]=4 3330 B6R0.6 NCCNCCN MCULE-4803305991 [0,2,0,0,0,0|2,0,0]=4 3331 B6R0.6 NCCNCCO MCULE-2112359407 [0,2,0,0,0,0|1,0,0]=3 3332 B6R0.6 NCCOCCBr MCULE-6520580224 [0,2,0,0,0,0|1,0,0]=3 3333 B6R0.6 NCCOCCCl MCULE-1975521529 [0,2,0,0,0,0|1,0,0]=3 3334 B6R0.6 NCCOCCCl MCULE-9715175348 [0,2,0,0,0,0|1,0,0]=3 3335 B6R0.6 NCCOCCF MCULE-4126568309 [0,2,0,0,0,0|1,0,0]=3 3336 B6R0.6 NCCOCCF MCULE-4641621710 [0,2,0,0,0,0|1,0,0]=3 3337 B6R0.6 NCCOCCN MCULE-1630934305 [0,2,0,0,0,0|1,0,0]=3 3338 B6R0.6 NCCOCCN MCULE-3282393357 [0,2,0,0,0,0|1,0,0]=3 3339 B6R0.6 NCCOCCN MCULE-3788231540 [0,2,0,0,0,0|1,0,0]=3 3340 B6R0.6 NCCOCCO MCULE-1073574088 [0,2,0,0,0,0|0,0,0]=2 3341 B6R0.6 NCCSCCN MCULE-4317147284 [0,2,0,0,0,0|1,1,0]=4 3342 B6R0.6 NCCSCCN MCULE-5449033874 [0,2,0,0,0,0|1,1,0]=4 3343 B6R0.6 NCCSCCO MCULE-1475378446 [0,2,0,0,0,0|0,1,0]=3 3344 B6R0.6 NNCCCCO MCULE-3928748589 [0,2,0,0,0,0|1,0,0]=3 3345 B6R0.6 NOCCCON MCULE-1133530094 [0,2,0,0,0,0|1,0,0]=3 3346 B6R0.6 NOCCCON MCULE-5394799847 [0,2,0,0,0,0|1,0,0]=3 3347 B6R0.6 O=CCCCCCl MCULE-1257670284 [0,2,0,0,0,0|1,0,1]=4 3348 B6R0.6 O=CCCCCO MCULE-7959082228 [0,2,0,0,0,0|1,0,0]=3 3349 B6R0.6 O=CNCCCO MCULE-7926485528 [0,2,0,0,0,0|1,0,1]=4 3350 B6R0.6 O=NCNCCO MCULE-4478167391 [0,2,0,0,0,0|1,0,0]=3 3351 B6R0.6 OCCCCCBr MCULE-1444733196 [0,2,0,0,0,0|1,0,0]=3 3352 B6R0.6 OCCCCCCl MCULE-5666058059 [0,2,0,0,0,0|1,0,0]=3 3353 B6R0.6 OCCCCCF MCULE-9253204275 [0,2,0,0,0,0|1,0,0]=3 3354 B6R0.6 OCCCCCI MCULE-8707758496 [0,2,0,0,0,0|1,0,0]=3 3355 B6R0.6 OCCCCCO MCULE-1044076048 [0,2,0,0,0,0|1,0,0]=3 3356 B6R0.6 OCCNCCCl MCULE-7809492267 [0,2,0,0,0,0|1,0,0]=3 3357 B6R0.6 OCCNCCCl MCULE-9007709158 [0,2,0,0,0,0|1,0,0]=3 3358 B6R0.6 OCCNCCO MCULE-9183096746 [0,2,0,0,0,0|1,0,0]=3 3359 B6R0.6 OCCNCCO MCULE-9803420258 [0,2,0,0,0,0|1,0,0]=3 3360 B6R0.6 OCCOCCBr MCULE-2641000270 [0,2,0,0,0,0|0,0,0]=2 3361 B6R0.6 OCCOCCCl MCULE-7320539957 [0,2,0,0,0,0|0,0,0]=2 3362 B6R0.6 OCCOCCF MCULE-1780385479 [0,2,0,0,0,0|0,0,0]=2 3363 B6R0.6 OCCOCCI MCULE-1083607130 [0,2,0,0,0,0|0,0,0]=2 3364 B6R0.6 OCCOCCO MCULE-1531783732 [0,2,0,0,0,0|0,0,0]=2 3365 B6R0.6 OCCSCCO MCULE-5502656030 [0,2,0,0,0,0|0,1,0]=3 3366 B6R0.6 OCCSCCS MCULE-4418561990 [0,2,0,0,0,0|0,1,0]=3 3367 B6R0.6 SCCCCCS MCULE-4899719552 [0,2,0,0,0,0|1,1,0]=4 3368 B6R0.6 SCCOCCS MCULE-6659110232 [0,2,0,0,0,0|0,1,0]=3 3369 B6R0.6 SCCSCCS MCULE-1219600644 [0,2,0,0,0,0|0,2,0]=4 3370 B6R0.6 [NH2+](CCCl)CCCl MCULE-9020671822 [0,2,0,0,0,0|2,0,0]=4 3371 B6R0.8 C#CC(C)(C)CO MCULE-2912434983 [0,2,0,0,0,0|1,0,1]=4 3372 B6R0.8 C#CC(C)(C)OC MCULE-7238312592 [0,2,0,0,0,0|1,0,1]=4 3373 B6R0.8 C=CC(C)(C)CO MCULE-8447675743 [0,2,0,0,0,0|1,0,1]=4 3374 B6R0.8 C=CC(F)(F)CO MCULE-9070059513 [0,2,0,0,0,0|1,0,1]=4 3375 B6R0.8 CC(C)(C#N)CO MCULE-3713618417 [0,2,0,0,0,0|2,0,0]=4 3376 B6R0.8 CC(C)(C=O)CO MCULE-9744921245 [0,2,0,0,0,0|2,0,0]=4 3377 B6R0.8 CC(C)(CN)CO MCULE-5342400231 [0,2,0,0,0,0|2,0,0]=4 3378 B6R0.8 CC(C)(CO)CBr MCULE-5392401561 [0,2,0,0,0,0|2,0,0]=4 3379 B6R0.8 CC(C)(CO)CCl MCULE-4674403441 [0,2,0,0,0,0|2,0,0]=4 3380 B6R0.8 CC(C)(CO)CF MCULE-4462488929 [0,2,0,0,0,0|2,0,0]=4 3381 B6R0.8 CC(C)(CO)CO MCULE-3663555151 [0,2,0,0,0,0|2,0,0]=4 3382 B6R0.8 CC(C)(CO)CS MCULE-2478254611 [0,2,0,0,0,0|2,0,0]=4 3383 B6R0.8 CC(C)(CO)ON MCULE-7229580612 [0,2,0,0,0,0|1,0,0]=3 3384 B6R0.8 CC(C)(CO)ON MCULE-9993526575 [0,2,0,0,0,0|1,0,0]=3 3385 B6R0.8 CC(F)(CO)CO MCULE-6086305692 [0,2,0,0,0,0|2,0,0]=4 3386 B6R0.8 CC(N)(C#N)CO MCULE-2492555292 [0,2,0,0,0,0|2,0,0]=4 3387 B6R0.8 CC(N)(CO)CO MCULE-6546409175 [0,2,0,0,0,0|2,0,0]=4 3388 B6R0.8 CC(O)(CN)CO MCULE-2184919268 [0,2,0,0,0,0|2,0,0]=4 3389 B6R0.8 CC(O)(CO)CO MCULE-5281000424 [0,2,0,0,0,0|2,0,0]=4 3390 B6R0.8 CCC(C)(Br)CC MCULE-6306783726 [0,2,0,0,0,0|2,0,0]=4 3391 B6R0.8 CCC(C)(C)CC MCULE-7259470376 [0,2,0,0,0,0|2,0,0]=4 3392 B6R0.8 CCC(C)(C)CN MCULE-2321746087 [0,2,0,0,0,0|2,0,0]=4 3393 B6R0.8 CCC(C)(C)CN MCULE-9058132626 [0,2,0,0,0,0|2,0,0]=4 3394 B6R0.8 CCC(C)(C)CO MCULE-9731698451 [0,2,0,0,0,0|1,0,0]=3 3395 B6R0.8 CCC(C)(C)NC MCULE-2427210996 [0,2,0,0,0,0|2,0,0]=4 3396 B6R0.8 CCC(C)(C)NC MCULE-6316686584 [0,2,0,0,0,0|2,0,0]=4 3397 B6R0.8 CCC(C)(C)OC MCULE-3328037871 [0,2,0,0,0,0|1,0,0]=3 3398 B6R0.8 CCC(C)(Cl)CC MCULE-2958469449 [0,2,0,0,0,0|2,0,0]=4 3399 B6R0.8 CCC(C)(N)CC MCULE-6775882748 [0,2,0,0,0,0|2,0,0]=4 3400 B6R0.8 CCC(C)(N)CC MCULE-8120212652 [0,2,0,0,0,0|2,0,0]=4 3401 B6R0.8 CCC(C)(N)CN MCULE-3477587448 [0,2,0,0,0,0|2,0,0]=4 3402 B6R0.8 CCC(C)(N)CO MCULE-3364837123 [0,2,0,0,0,0|1,0,0]=3 3403 B6R0.8 CCC(C)(N)CO MCULE-6671299764 [0,2,0,0,0,0|1,0,0]=3 3404 B6R0.8 CCC(C)(O)CC MCULE-2300322554 [0,2,0,0,0,0|2,0,0]=4 3405 B6R0.8 CCC(C)(O)CN MCULE-2912898926 [0,2,0,0,0,0|2,0,0]=4 3406 B6R0.8 CCC(C)(O)CO MCULE-7272709587 [0,2,0,0,0,0|1,0,0]=3 3407 B6R0.8 CCC(F)(F)CN MCULE-5083755501 [0,2,0,0,0,0|2,0,0]=4 3408 B6R0.8 CCC(F)(F)CO MCULE-9442155245 [0,2,0,0,0,0|1,0,0]=3 3409 B6R0.8 CCS(=O)(=O)OC MCULE-7196280359 [0,2,0,0,0,0|2,0,0]=4 3410 B6R0.8 CNC(C)(C)CBr MCULE-6159004014 [0,2,0,0,0,0|2,0,0]=4 3411 B6R0.8 CNC(C)(C)CBr MCULE-8678001868 [0,2,0,0,0,0|2,0,0]=4 3412 B6R0.8 CNC(C)(C)CN MCULE-8166828160 [0,2,0,0,0,0|2,0,0]=4 3413 B6R0.8 CNC(C)(C)CO MCULE-6733742999 [0,2,0,0,0,0|1,0,0]=3 3414 B6R0.8 CNC(C)(C)CO MCULE-8497514322 [0,2,0,0,0,0|1,0,0]=3 3415 B6R0.8 COC(C)(C)C#N MCULE-8347600095 [0,2,0,0,0,0|1,0,1]=4 3416 B6R0.8 COC(C)(C)CBr MCULE-2140114530 [0,2,0,0,0,0|1,0,0]=3 3417 B6R0.8 COC(C)(C)CN MCULE-3456895046 [0,2,0,0,0,0|1,0,0]=3 3418 B6R0.8 COC(C)(C)CN MCULE-4113959368 [0,2,0,0,0,0|1,0,0]=3 3419 B6R0.8 COC(C)(C)CN MCULE-7074369009 [0,2,0,0,0,0|1,0,0]=3 3420 B6R0.8 COC(C)(C)CO MCULE-2208581417 [0,2,0,0,0,0|0,0,0]=2 3421 B6R0.8 COC(C)(C)OC MCULE-2997403120 [0,2,0,0,0,0|2,0,0]=4 3422 B6R0.8 COC(C)(C)ON MCULE-9489606516 [0,2,0,0,0,0|2,0,0]=4 3423 B6R0.8 CO[Si](C)(C)CCl MCULE-8537087752 [0,2,0,0,0,0|1,1,0]=4 3424 B6R0.8 CSC(C)(C)CN MCULE-2872927545 [0,2,0,0,0,0|1,1,0]=4 3425 B6R0.8 CSC(C)(C)CO MCULE-7955741611 [0,2,0,0,0,0|0,1,0]=3 3426 B6R0.8 C[C@](O)(CO)CBr MCULE-3211170790 [0,2,0,0,0,0|2,0,0]=4 3427 B6R0.8 NCC(F)(F)CO MCULE-1734067533 [0,2,0,0,0,0|2,0,0]=4 3428 B6R0.8 NCC(F)(F)CO MCULE-6456961834 [0,2,0,0,0,0|2,0,0]=4 3429 B6R0.8 OCC(F)(F)CO MCULE-8504062479 [0,2,0,0,0,0|2,0,0]=4 3430 B6R0.9 C#CC(C#N)OC MCULE-6559427884 [0,2,0,0,0,0|1,0,1]=4 3431 B6R0.9 C#CC(CC)CC MCULE-6184220024 [0,2,0,0,0,0|2,0,0]=4 3432 B6R0.9 C/N=C(/CO)\NC MCULE-6025664069 [0,2,0,0,0,0|1,0,1]=4 3433 B6R0.9 C=CC(CCl)OC MCULE-7435605398 [0,2,0,0,0,0|1,0,0]=3 3434 B6R0.9 C=CC(OC)OC MCULE-7212819947 [0,2,0,0,0,0|1,0,1]=4 3435 B6R0.9 CCB(CC)OC MCULE-5839415433 [0,2,0,0,0,0|2,0,0]=4 3436 B6R0.9 CCC(C#N)CC MCULE-1817171032 [0,2,0,0,0,0|2,0,0]=4 3437 B6R0.9 CCC(C#N)NC MCULE-2518843235 [0,2,0,0,0,0|2,0,0]=4 3438 B6R0.9 CCC(C#N)NC MCULE-9562458353 [0,2,0,0,0,0|2,0,0]=4 3439 B6R0.9 CCC(C=O)CC MCULE-3529464122 [0,2,0,0,0,0|2,0,0]=4 3440 B6R0.9 CCC(CBr)CBr MCULE-6164388407 [0,2,0,0,0,0|2,0,0]=4 3441 B6R0.9 CCC(CBr)OC MCULE-1656817461 [0,2,0,0,0,0|1,0,0]=3 3442 B6R0.9 CCC(CC)CBr MCULE-7035205946 [0,2,0,0,0,0|2,0,0]=4 3443 B6R0.9 CCC(CC)CC MCULE-4259310191 [0,2,0,0,0,0|2,0,0]=4 3444 B6R0.9 CCC(CC)CI MCULE-7444274747 [0,2,0,0,0,0|2,0,0]=4 3445 B6R0.9 CCC(CC)CN MCULE-2344837203 [0,2,0,0,0,0|2,0,0]=4 3446 B6R0.9 CCC(CC)CN MCULE-5753995416 [0,2,0,0,0,0|2,0,0]=4 3447 B6R0.9 CCC(CC)CO MCULE-8799293985 [0,2,0,0,0,0|1,0,0]=3 3448 B6R0.9 CCC(CC)NC MCULE-5581389070 [0,2,0,0,0,0|2,0,0]=4 3449 B6R0.9 CCC(CC)NC MCULE-9713693117 [0,2,0,0,0,0|2,0,0]=4 3450 B6R0.9 CCC(CC)NN MCULE-2238567966 [0,2,0,0,0,0|2,0,0]=4 3451 B6R0.9 CCC(CC)NN MCULE-6799511276 [0,2,0,0,0,0|2,0,0]=4 3452 B6R0.9 CCC(CC)NN MCULE-7243313185 [0,2,0,0,0,0|2,0,0]=4 3453 B6R0.9 CCC(CN)CN MCULE-8523664234 [0,2,0,0,0,0|2,0,0]=4 3454 B6R0.9 CCC(CN)CO MCULE-5933181303 [0,2,0,0,0,0|1,0,0]=3 3455 B6R0.9 CCC(CN)OC MCULE-2981477258 [0,2,0,0,0,0|1,0,0]=3 3456 B6R0.9 CCC(CN)OC MCULE-5102774189 [0,2,0,0,0,0|1,0,0]=3 3457 B6R0.9 CCC(CO)CO MCULE-5204077076 [0,2,0,0,0,0|1,0,0]=3 3458 B6R0.9 CCC(CO)NC MCULE-4151180539 [0,2,0,0,0,0|1,0,0]=3 3459 B6R0.9 CCC(CO)OC MCULE-3822452142 [0,2,0,0,0,0|0,0,0]=2 3460 B6R0.9 CCC(OC)OC MCULE-8987892974 [0,2,0,0,0,0|1,0,0]=3 3461 B6R0.9 CCN(CC)CO MCULE-9782453115 [0,2,0,0,0,0|2,0,0]=4 3462 B6R0.9 CC[C@@H](CO)NC MCULE-6281808613 [0,2,0,0,0,0|1,0,0]=3 3463 B6R0.9 CNC(CN)CO MCULE-7006149115 [0,2,0,0,0,0|1,0,0]=3 3464 B6R0.9 CNC(CO)CO MCULE-9323859576 [0,2,0,0,0,0|1,0,0]=3 3465 B6R0.9 COC(C#N)CBr MCULE-7382241537 [0,2,0,0,0,0|1,0,0]=3 3466 B6R0.9 COC(C=O)OC MCULE-7354932286 [0,2,0,0,0,0|0,0,2]=4 3467 B6R0.9 COC(CBr)OC MCULE-2277122528 [0,2,0,0,0,0|1,0,0]=3 3468 B6R0.9 COC(CCl)OC MCULE-2320305704 [0,2,0,0,0,0|1,0,0]=3 3469 B6R0.9 COC(CN)CN MCULE-3870266689 [0,2,0,0,0,0|1,0,0]=3 3470 B6R0.9 COC(CN)CO MCULE-2486586573 [0,2,0,0,0,0|0,0,0]=2 3471 B6R0.9 COC(CN)CO MCULE-3908535917 [0,2,0,0,0,0|0,0,0]=2 3472 B6R0.9 COC(CN)OC MCULE-1003844122 [0,2,0,0,0,0|1,0,0]=3 3473 B6R0.9 COC(CO)CBr MCULE-4957036064 [0,2,0,0,0,0|0,0,0]=2 3474 B6R0.9 COC(CO)CO MCULE-4778743592 [0,2,0,0,0,0|0,0,0]=2 3475 B6R0.9 COC(CO)OC MCULE-1980066235 [0,2,0,0,0,0|0,0,0]=2 3476 B6R0.9 COC(CS)OC MCULE-2408457054 [0,2,0,0,0,0|0,1,0]=3 3477 B6R0.9 COC(OC)OC MCULE-3414819011 [0,2,0,0,0,0|2,0,0]=4 3478 B6R0.9 CO[C@H](CN)CO MCULE-6065862053 [0,2,0,0,0,0|0,0,0]=2 3479 B6R0.9 OCC(CBr)CBr MCULE-4153091765 [0,2,0,0,0,0|2,0,0]=4 3480 B6R0.9 OCC(CO)CO MCULE-7640074192 [0,2,0,0,0,0|2,0,0]=4 3481 B4R1.1 C1CNC1 MCULE-2817120281 [1,0,0,1,0,0|1,0,0]=3 3482 B4R1.1 C1CNC1 MCULE-5348168818 [1,0,0,1,0,0|1,0,0]=3 3483 B4R1.1 C1COC1 MCULE-4105779148 [1,0,0,1,0,0|0,0,0]=2 3484 B4R1.1 C1CSC1 MCULE-2361125802 [1,0,0,1,0,0|0,1,0]=3 3485 B4R1.2 BrC1CC1 MCULE-3656295609 [1,0,0,1,0,0|1,0,0]=3 3486 B4R1.2 CC1CC1 MCULE-5909419916 [1,0,0,1,0,0|1,0,0]=3 3487 B4R1.2 CC1CN1 MCULE-2953452695 [1,0,0,1,0,0|1,0,0]=3 3488 B4R1.2 CC1CO1 MCULE-4799904973 [1,0,0,1,0,0|0,0,0]=2 3489 B4R1.2 CC1CO1 MCULE-9508255430 [1,0,0,1,0,0|0,0,0]=2 3490 B4R1.2 CC1CS1 MCULE-2534699321 [1,0,0,1,0,0|0,1,0]=3 3491 B4R1.2 C[C@@H]1CO1 MCULE-5437340901 [1,0,0,1,0,0|0,0,0]=2 3492 B4R1.2 C[C@@H]1CO1 MCULE-6874302400 [1,0,0,1,0,0|0,0,0]=2 3493 B4R1.2 C[C@H]1CO1 MCULE-4667457959 [1,0,0,1,0,0|0,0,0]=2 3494 B4R1.2 IC1CC1 MCULE-6043109265 [1,0,0,1,0,0|1,0,0]=3 3495 B4R1.2 NC1CC1 MCULE-1933360330 [1,0,0,1,0,0|1,0,0]=3 3496 B4R1.2 NC1CC1 MCULE-6187070220 [1,0,0,1,0,0|1,0,0]=3 3497 B4R1.2 OC1CC1 MCULE-8237846154 [1,0,0,1,0,0|0,0,0]=2 3498 B4R1.2 SC1CC1 MCULE-1371610395 [1,0,0,1,0,0|0,1,0]=3 3499 B4R1.2 [C@@H]1(CN1)C MCULE-4079798985 [1,0,0,1,0,0|1,0,0]=3 3500 B6R1.2 BrC1=COCC1 MCULE-8057569313 [0,1,0,1,0,0|1,0,1]=4 3501 B6R1.2 BrC1CC=CC1 MCULE-8834603275 [0,1,0,1,0,0|2,0,0]=4 3502 B6R1.2 BrC1CCCC1 MCULE-9383923023 [0,1,0,1,0,0|2,0,0]=4 3503 B6R1.2 BrC1CCNC1 MCULE-4841543716 [0,1,0,1,0,0|2,0,0]=4 3504 B6R1.2 BrC1CCNC1 MCULE-4954951045 [0,1,0,1,0,0|2,0,0]=4 3505 B6R1.2 BrC1CCNC1 MCULE-7176123276 [0,1,0,1,0,0|2,0,0]=4 3506 B6R1.2 BrC1CCOC1 MCULE-7037144528 [0,1,0,1,0,0|1,0,0]=3 3507 B6R1.2 BrC1CCSC1 MCULE-6663716947 [0,1,0,1,0,0|1,1,0]=4 3508 B6R1.2 Br[C@@H]1CCNC1 MCULE-1681494552 [0,1,0,1,0,0|2,0,0]=4 3509 B6R1.2 Br[C@@H]1CCNC1 MCULE-1764777534 [0,1,0,1,0,0|2,0,0]=4 3510 B6R1.2 Br[C@@H]1CCNC1 MCULE-2455801012 [0,1,0,1,0,0|2,0,0]=4 3511 B6R1.2 Br[C@@H]1CCNC1 MCULE-8945784733 [0,1,0,1,0,0|2,0,0]=4 3512 B6R1.2 Br[C@H]1CCNC1 MCULE-5014033994 [0,1,0,1,0,0|2,0,0]=4 3513 B6R1.2 Br[C@H]1CCNC1 MCULE-5217617272 [0,1,0,1,0,0|2,0,0]=4 3514 B6R1.2 Br[C@H]1CCNC1 MCULE-8899453530 [0,1,0,1,0,0|2,0,0]=4 3515 B6R1.2 Br[C@H]1CCNC1 MCULE-9461718131 [0,1,0,1,0,0|2,0,0]=4 3516 B6R1.2 Br[C@H]1CCOC1 MCULE-7554969036 [0,1,0,1,0,0|1,0,0]=3 3517 B6R1.2 C1(CCNC1)C MCULE-2542646403 [0,1,0,1,0,0|2,0,0]=4 3518 B6R1.2 C1(CCNC1)C MCULE-4538835016 [0,1,0,1,0,0|2,0,0]=4 3519 B6R1.2 C1(CCNC1)F MCULE-2259566125 [0,1,0,1,0,0|2,0,0]=4 3520 B6R1.2 C1(CCNC1)F MCULE-3325393466 [0,1,0,1,0,0|2,0,0]=4 3521 B6R1.2 C1(CCNC1)O MCULE-2676539647 [0,1,0,1,0,0|1,0,0]=3 3522 B6R1.2 C1(CCNC1)O MCULE-4228466615 [0,1,0,1,0,0|1,0,0]=3 3523 B6R1.2 C1(CCOC1)I MCULE-4877322062 [0,1,0,1,0,0|1,0,0]=3 3524 B6R1.2 C1(CCOC1)N MCULE-2221007915 [0,1,0,1,0,0|1,0,0]=3 3525 B6R1.2 C1(CCOC1)N MCULE-3972931474 [0,1,0,1,0,0|1,0,0]=3 3526 B6R1.2 C1(CCOC1)O MCULE-3631749536 [0,1,0,1,0,0|0,0,0]=2 3527 B6R1.2 C=C1CCCC1 MCULE-4115373196 [0,1,0,1,0,0|2,0,0]=4 3528 B6R1.2 C=C1CCNC1 MCULE-7982953073 [0,1,0,1,0,0|2,0,0]=4 3529 B6R1.2 C=C1CCNC1 MCULE-8428731599 [0,1,0,1,0,0|2,0,0]=4 3530 B6R1.2 C=C1CCSC1 MCULE-7042571473 [0,1,0,1,0,0|1,1,0]=4 3531 B6R1.2 CC1=CCCC1 MCULE-8508688474 [0,1,0,1,0,0|2,0,0]=4 3532 B6R1.2 CC1=CCCO1 MCULE-7276659214 [0,1,0,1,0,0|1,0,0]=3 3533 B6R1.2 CC1=CCNC1 MCULE-5892113847 [0,1,0,1,0,0|2,0,0]=4 3534 B6R1.2 CC1=CCNC1 MCULE-9225220351 [0,1,0,1,0,0|2,0,0]=4 3535 B6R1.2 CC1=NCCC1 MCULE-5009170423 [0,1,0,1,0,0|2,0,0]=4 3536 B6R1.2 CC1=NCCN1 MCULE-4787238872 [0,1,0,1,0,0|2,0,0]=4 3537 B6R1.2 CC1=NCCO1 MCULE-8564633040 [0,1,0,1,0,0|1,0,0]=3 3538 B6R1.2 CC1=NCCS1 MCULE-1701303405 [0,1,0,1,0,0|1,1,0]=4 3539 B6R1.2 CC1=NNCC1 MCULE-1758510182 [0,1,0,1,0,0|2,0,0]=4 3540 B6R1.2 CC1C=CCC1 MCULE-1638534048 [0,1,0,1,0,0|2,0,0]=4 3541 B6R1.2 CC1CCCC1 MCULE-4702116068 [0,1,0,1,0,0|2,0,0]=4 3542 B6R1.2 CC1CCCN1 MCULE-4853624560 [0,1,0,1,0,0|2,0,0]=4 3543 B6R1.2 CC1CCCN1 MCULE-5939948024 [0,1,0,1,0,0|2,0,0]=4 3544 B6R1.2 CC1CCCN1 MCULE-6020011445 [0,1,0,1,0,0|2,0,0]=4 3545 B6R1.2 CC1CCCN1 MCULE-7855346849 [0,1,0,1,0,0|2,0,0]=4 3546 B6R1.2 CC1CCCO1 MCULE-2526138687 [0,1,0,1,0,0|1,0,0]=3 3547 B6R1.2 CC1CCCS1 MCULE-8372499972 [0,1,0,1,0,0|1,1,0]=4 3548 B6R1.2 CC1CCNC1 MCULE-6494098173 [0,1,0,1,0,0|2,0,0]=4 3549 B6R1.2 CC1CCNC1 MCULE-8260364514 [0,1,0,1,0,0|2,0,0]=4 3550 B6R1.2 CC1CCOC1 MCULE-6424683416 [0,1,0,1,0,0|1,0,0]=3 3551 B6R1.2 CC1CCSC1 MCULE-7445511318 [0,1,0,1,0,0|1,1,0]=4 3552 B6R1.2 CC1CNOC1 MCULE-1071803164 [0,1,0,1,0,0|1,0,0]=3 3553 B6R1.2 CC1CNOC1 MCULE-9455391174 [0,1,0,1,0,0|1,0,0]=3 3554 B6R1.2 CC1COCO1 MCULE-9332316279 [0,1,0,1,0,0|0,0,0]=2 3555 B6R1.2 CC1NCCS1 MCULE-8457840375 [0,1,0,1,0,0|1,1,0]=4 3556 B6R1.2 CC1OCCO1 MCULE-2943809591 [0,1,0,1,0,0|0,0,0]=2 3557 B6R1.2 CC1SCCS1 MCULE-5011453273 [0,1,0,1,0,0|0,2,0]=4 3558 B6R1.2 CN1CCCC1 MCULE-5387702231 [0,1,0,1,0,0|2,0,0]=4 3559 B6R1.2 CN1CCNC1 MCULE-8059197564 [0,1,0,1,0,0|2,0,0]=4 3560 B6R1.2 CN1CCNC1 MCULE-9818601515 [0,1,0,1,0,0|2,0,0]=4 3561 B6R1.2 CN1CCOC1 MCULE-5504672404 [0,1,0,1,0,0|1,0,0]=3 3562 B6R1.2 C[C@@H]1CCCN1 MCULE-1038329474 [0,1,0,1,0,0|2,0,0]=4 3563 B6R1.2 C[C@@H]1CCCN1 MCULE-1829999308 [0,1,0,1,0,0|2,0,0]=4 3564 B6R1.2 C[C@@H]1CCCN1 MCULE-8644278041 [0,1,0,1,0,0|2,0,0]=4 3565 B6R1.2 C[C@@H]1CCCN1 MCULE-9243990647 [0,1,0,1,0,0|2,0,0]=4 3566 B6R1.2 C[C@@H]1CCNC1 MCULE-5345577321 [0,1,0,1,0,0|2,0,0]=4 3567 B6R1.2 C[C@@H]1CCNC1 MCULE-5749945455 [0,1,0,1,0,0|2,0,0]=4 3568 B6R1.2 C[C@@H]1CCNC1 MCULE-8967606188 [0,1,0,1,0,0|2,0,0]=4 3569 B6R1.2 C[C@@H]1CCNC1 MCULE-8996756392 [0,1,0,1,0,0|2,0,0]=4 3570 B6R1.2 C[C@H]1CCCN1 MCULE-2078024663 [0,1,0,1,0,0|2,0,0]=4 3571 B6R1.2 C[C@H]1CCCN1 MCULE-3113877345 [0,1,0,1,0,0|2,0,0]=4 3572 B6R1.2 C[C@H]1CCCN1 MCULE-3426869473 [0,1,0,1,0,0|2,0,0]=4 3573 B6R1.2 C[C@H]1CCCN1 MCULE-5093266679 [0,1,0,1,0,0|2,0,0]=4 3574 B6R1.2 C[C@H]1CCNC1 MCULE-1866792897 [0,1,0,1,0,0|2,0,0]=4 3575 B6R1.2 C[C@H]1CCNC1 MCULE-3817248567 [0,1,0,1,0,0|2,0,0]=4 3576 B6R1.2 C[C@H]1CCNC1 MCULE-7938243226 [0,1,0,1,0,0|2,0,0]=4 3577 B6R1.2 C[C@H]1CCNC1 MCULE-8895875203 [0,1,0,1,0,0|2,0,0]=4 3578 B6R1.2 C[S+]1CCCC1 MCULE-6294888335 [0,1,0,1,0,0|1,1,0]=4 3579 B6R1.2 C[S+]1CCCC1 MCULE-8432227262 [0,1,0,1,0,0|1,1,0]=4 3580 B6R1.2 ClC1CCCC1 MCULE-3285928655 [0,1,0,1,0,0|2,0,0]=4 3581 B6R1.2 ClC1CCNC1 MCULE-5659561118 [0,1,0,1,0,0|2,0,0]=4 3582 B6R1.2 ClC1CCNC1 MCULE-6180477494 [0,1,0,1,0,0|2,0,0]=4 3583 B6R1.2 ClC1CCNC1 MCULE-6964859207 [0,1,0,1,0,0|2,0,0]=4 3584 B6R1.2 ClC1CCNC1 MCULE-8389509440 [0,1,0,1,0,0|2,0,0]=4 3585 B6R1.2 ClC1CCOC1 MCULE-6903762147 [0,1,0,1,0,0|1,0,0]=3 3586 B6R1.2 ClP1OCCO1 MCULE-2550894251 [0,1,0,1,0,0|1,0,0]=3 3587 B6R1.2 Cl[C@@H]1CCNC1 MCULE-3218152098 [0,1,0,1,0,0|2,0,0]=4 3588 B6R1.2 Cl[C@@H]1CCNC1 MCULE-6728755007 [0,1,0,1,0,0|2,0,0]=4 3589 B6R1.2 Cl[C@@H]1CCNC1 MCULE-7223308304 [0,1,0,1,0,0|2,0,0]=4 3590 B6R1.2 Cl[C@@H]1CCNC1 MCULE-9699335522 [0,1,0,1,0,0|2,0,0]=4 3591 B6R1.2 Cl[C@H]1CCNC1 MCULE-1696981588 [0,1,0,1,0,0|2,0,0]=4 3592 B6R1.2 Cl[C@H]1CCNC1 MCULE-4535592624 [0,1,0,1,0,0|2,0,0]=4 3593 B6R1.2 Cl[C@H]1CCNC1 MCULE-4850151938 [0,1,0,1,0,0|2,0,0]=4 3594 B6R1.2 Cl[C@H]1CCNC1 MCULE-8947782807 [0,1,0,1,0,0|2,0,0]=4 3595 B6R1.2 FC1CCCC1 MCULE-1416016970 [0,1,0,1,0,0|2,0,0]=4 3596 B6R1.2 FC1CCNC1 MCULE-3601135445 [0,1,0,1,0,0|2,0,0]=4 3597 B6R1.2 FC1CCNC1 MCULE-8578750940 [0,1,0,1,0,0|2,0,0]=4 3598 B6R1.2 FC1CNOC1 MCULE-4837734523 [0,1,0,1,0,0|1,0,0]=3 3599 B6R1.2 FC1CNOC1 MCULE-6176254900 [0,1,0,1,0,0|1,0,0]=3 3600 B6R1.2 F[C@@H]1CCNC1 MCULE-4408739710 [0,1,0,1,0,0|2,0,0]=4 3601 B6R1.2 F[C@@H]1CCNC1 MCULE-5678498844 [0,1,0,1,0,0|2,0,0]=4 3602 B6R1.2 F[C@@H]1CCNC1 MCULE-5679054116 [0,1,0,1,0,0|2,0,0]=4 3603 B6R1.2 F[C@@H]1CCNC1 MCULE-7029204180 [0,1,0,1,0,0|2,0,0]=4 3604 B6R1.2 F[C@H]1CCCN1 MCULE-8612757365 [0,1,0,1,0,0|2,0,0]=4 3605 B6R1.2 F[C@H]1CCNC1 MCULE-2854402872 [0,1,0,1,0,0|2,0,0]=4 3606 B6R1.2 F[C@H]1CCNC1 MCULE-4493640982 [0,1,0,1,0,0|2,0,0]=4 3607 B6R1.2 F[C@H]1CCNC1 MCULE-7441383471 [0,1,0,1,0,0|2,0,0]=4 3608 B6R1.2 F[C@H]1CCNC1 MCULE-7946601643 [0,1,0,1,0,0|2,0,0]=4 3609 B6R1.2 IC1=COCC1 MCULE-3076361502 [0,1,0,1,0,0|1,0,1]=4 3610 B6R1.2 IC1CCCC1 MCULE-2705379744 [0,1,0,1,0,0|2,0,0]=4 3611 B6R1.2 IC1CCNC1 MCULE-3058541551 [0,1,0,1,0,0|2,0,0]=4 3612 B6R1.2 IC1CCNC1 MCULE-5326267139 [0,1,0,1,0,0|2,0,0]=4 3613 B6R1.2 IC1CCOC1 MCULE-1379775972 [0,1,0,1,0,0|1,0,0]=3 3614 B6R1.2 I[C@@H]1CCNC1 MCULE-3800433724 [0,1,0,1,0,0|2,0,0]=4 3615 B6R1.2 I[C@@H]1CCNC1 MCULE-3857825133 [0,1,0,1,0,0|2,0,0]=4 3616 B6R1.2 I[C@@H]1CCNC1 MCULE-7781267462 [0,1,0,1,0,0|2,0,0]=4 3617 B6R1.2 I[C@@H]1CCNC1 MCULE-7979843810 [0,1,0,1,0,0|2,0,0]=4 3618 B6R1.2 I[C@@H]1CCOC1 MCULE-2036157502 [0,1,0,1,0,0|1,0,0]=3 3619 B6R1.2 I[C@@H]1CCOC1 MCULE-4800752659 [0,1,0,1,0,0|1,0,0]=3 3620 B6R1.2 I[C@H]1CCNC1 MCULE-1218289403 [0,1,0,1,0,0|2,0,0]=4 3621 B6R1.2 I[C@H]1CCNC1 MCULE-7469922084 [0,1,0,1,0,0|2,0,0]=4 3622 B6R1.2 I[C@H]1CCOC1 MCULE-4242860607 [0,1,0,1,0,0|1,0,0]=3 3623 B6R1.2 I[C@H]1CCOC1 MCULE-7095404975 [0,1,0,1,0,0|1,0,0]=3 3624 B6R1.2 NC1=NCCO1 MCULE-1257431295 [0,1,0,1,0,0|1,0,1]=4 3625 B6R1.2 NC1=NCCO1 MCULE-9912511107 [0,1,0,1,0,0|1,0,1]=4 3626 B6R1.2 NC1=NOCC1 MCULE-4971355735 [0,1,0,1,0,0|2,0,0]=4 3627 B6R1.2 NC1CC=CC1 MCULE-3815719332 [0,1,0,1,0,0|2,0,0]=4 3628 B6R1.2 NC1CC=CC1 MCULE-9984030144 [0,1,0,1,0,0|2,0,0]=4 3629 B6R1.2 NC1CCCC1 MCULE-2292038009 [0,1,0,1,0,0|2,0,0]=4 3630 B6R1.2 NC1CCNC1 MCULE-2237528072 [0,1,0,1,0,0|2,0,0]=4 3631 B6R1.2 NC1CCNC1 MCULE-5167920547 [0,1,0,1,0,0|2,0,0]=4 3632 B6R1.2 NC1CCNC1 MCULE-5837785719 [0,1,0,1,0,0|2,0,0]=4 3633 B6R1.2 NC1CCOC1 MCULE-1276945018 [0,1,0,1,0,0|1,0,0]=3 3634 B6R1.2 NC1CCOC1 MCULE-8146259495 [0,1,0,1,0,0|1,0,0]=3 3635 B6R1.2 NC1CCSC1 MCULE-8972229387 [0,1,0,1,0,0|1,1,0]=4 3636 B6R1.2 NC1CCSC1 MCULE-9186640582 [0,1,0,1,0,0|1,1,0]=4 3637 B6R1.2 NC1CSSC1 MCULE-4887591316 [0,1,0,1,0,0|1,1,0]=4 3638 B6R1.2 NC1CSSC1 MCULE-5524609325 [0,1,0,1,0,0|1,1,0]=4 3639 B6R1.2 NC1CSSC1 MCULE-9014844047 [0,1,0,1,0,0|1,1,0]=4 3640 B6R1.2 NN1CCCC1 MCULE-1562593919 [0,1,0,1,0,0|2,0,0]=4 3641 B6R1.2 NN1CCCC1 MCULE-2311855036 [0,1,0,1,0,0|2,0,0]=4 3642 B6R1.2 NN1CCCC1 MCULE-5484008222 [0,1,0,1,0,0|2,0,0]=4 3643 B6R1.2 N[C@@H]1CCNC1 MCULE-6043697974 [0,1,0,1,0,0|2,0,0]=4 3644 B6R1.2 N[C@@H]1CCNC1 MCULE-8912264932 [0,1,0,1,0,0|2,0,0]=4 3645 B6R1.2 N[C@@H]1CCNC1 MCULE-9183647019 [0,1,0,1,0,0|2,0,0]=4 3646 B6R1.2 N[C@@H]1CCNC1 MCULE-9608760183 [0,1,0,1,0,0|2,0,0]=4 3647 B6R1.2 N[C@@H]1CCOC1 MCULE-1100136080 [0,1,0,1,0,0|1,0,0]=3 3648 B6R1.2 N[C@@H]1CCOC1 MCULE-4493278911 [0,1,0,1,0,0|1,0,0]=3 3649 B6R1.2 N[C@@H]1CCOC1 MCULE-5574536510 [0,1,0,1,0,0|1,0,0]=3 3650 B6R1.2 N[C@@H]1CCOC1 MCULE-7204677203 [0,1,0,1,0,0|1,0,0]=3 3651 B6R1.2 N[C@H]1CCNC1 MCULE-3573455998 [0,1,0,1,0,0|2,0,0]=4 3652 B6R1.2 N[C@H]1CCNC1 MCULE-3988158945 [0,1,0,1,0,0|2,0,0]=4 3653 B6R1.2 N[C@H]1CCNC1 MCULE-4526890579 [0,1,0,1,0,0|2,0,0]=4 3654 B6R1.2 N[C@H]1CCNC1 MCULE-8548728927 [0,1,0,1,0,0|2,0,0]=4 3655 B6R1.2 N[C@H]1CCOC1 MCULE-2273771439 [0,1,0,1,0,0|1,0,0]=3 3656 B6R1.2 N[C@H]1CCOC1 MCULE-3567904137 [0,1,0,1,0,0|1,0,0]=3 3657 B6R1.2 N[C@H]1CCOC1 MCULE-5268616156 [0,1,0,1,0,0|1,0,0]=3 3658 B6R1.2 N[C@H]1CCOC1 MCULE-7351975857 [0,1,0,1,0,0|1,0,0]=3 3659 B6R1.2 O=C1CCCC1 MCULE-9455227735 [0,1,0,1,0,0|1,0,1]=4 3660 B6R1.2 O=C1CCCO1 MCULE-6795890265 [0,1,0,1,0,0|1,0,1]=4 3661 B6R1.2 O=C1CCNC1 MCULE-2947789259 [0,1,0,1,0,0|1,0,1]=4 3662 B6R1.2 O=C1CCNC1 MCULE-7192595052 [0,1,0,1,0,0|1,0,1]=4 3663 B6R1.2 O=C1CCOC1 MCULE-2031733910 [0,1,0,1,0,0|0,0,1]=3 3664 B6R1.2 O=C1CCON1 MCULE-6799359324 [0,1,0,1,0,0|1,0,1]=4 3665 B6R1.2 O=C1CCSC1 MCULE-2059655624 [0,1,0,1,0,0|0,1,1]=4 3666 B6R1.2 O=C1NCCO1 MCULE-3934923008 [0,1,0,1,0,0|1,0,1]=4 3667 B6R1.2 O=C1OCCO1 MCULE-9493253045 [0,1,0,1,0,0|0,0,1]=3 3668 B6R1.2 O=S1CCCC1 MCULE-2442126780 [0,1,0,1,0,0|1,0,1]=4 3669 B6R1.2 O=S1OCCO1 MCULE-5773173321 [0,1,0,1,0,0|1,0,0]=3 3670 B6R1.2 OC1C=CCC1 MCULE-3857764876 [0,1,0,1,0,0|1,0,1]=4 3671 B6R1.2 OC1C=CCO1 MCULE-4636930669 [0,1,0,1,0,0|1,0,1]=4 3672 B6R1.2 OC1CC=CC1 MCULE-6176562196 [0,1,0,1,0,0|1,0,0]=3 3673 B6R1.2 OC1CCCC1 MCULE-1758440264 [0,1,0,1,0,0|1,0,0]=3 3674 B6R1.2 OC1CCCN1 MCULE-4787168972 [0,1,0,1,0,0|1,0,0]=3 3675 B6R1.2 OC1CCCO1 MCULE-9632627344 [0,1,0,1,0,0|1,0,0]=3 3676 B6R1.2 OC1CCNC1 MCULE-4307402606 [0,1,0,1,0,0|1,0,0]=3 3677 B6R1.2 OC1CCNC1 MCULE-6745480350 [0,1,0,1,0,0|1,0,0]=3 3678 B6R1.2 OC1CCOC1 MCULE-4469581028 [0,1,0,1,0,0|0,0,0]=2 3679 B6R1.2 OC1CCSC1 MCULE-9796808599 [0,1,0,1,0,0|0,1,0]=3 3680 B6R1.2 OC1CNOC1 MCULE-3414700581 [0,1,0,1,0,0|0,0,0]=2 3681 B6R1.2 OC1CNOC1 MCULE-8163403090 [0,1,0,1,0,0|0,0,0]=2 3682 B6R1.2 OC1CNOC1 MCULE-8644852072 [0,1,0,1,0,0|0,0,0]=2 3683 B6R1.2 OC1C[NH2+]OC1 MCULE-7865131527 [0,1,0,1,0,0|0,0,0]=2 3684 B6R1.2 O[C@@H]1CCNC1 MCULE-8116497337 [0,1,0,1,0,0|1,0,0]=3 3685 B6R1.2 O[C@@H]1CCNC1 MCULE-8578068948 [0,1,0,1,0,0|1,0,0]=3 3686 B6R1.2 O[C@@H]1CCNC1 MCULE-9094582248 [0,1,0,1,0,0|1,0,0]=3 3687 B6R1.2 O[C@@H]1CCNC1 MCULE-9933593352 [0,1,0,1,0,0|1,0,0]=3 3688 B6R1.2 O[C@@H]1CCOC1 MCULE-7739141732 [0,1,0,1,0,0|0,0,0]=2 3689 B6R1.2 O[C@@H]1CCOC1 MCULE-8344812226 [0,1,0,1,0,0|0,0,0]=2 3690 B6R1.2 O[C@@H]1CCOC1 MCULE-9098074990 [0,1,0,1,0,0|0,0,0]=2 3691 B6R1.2 O[C@@H]1CCSC1 MCULE-3532754705 [0,1,0,1,0,0|0,1,0]=3 3692 B6R1.2 O[C@@H]1CCSC1 MCULE-5800407146 [0,1,0,1,0,0|0,1,0]=3 3693 B6R1.2 O[C@@H]1CNOC1 MCULE-1481945185 [0,1,0,1,0,0|0,0,0]=2 3694 B6R1.2 O[C@@H]1CNOC1 MCULE-4156521353 [0,1,0,1,0,0|0,0,0]=2 3695 B6R1.2 O[C@@H]1CNOC1 MCULE-5692816168 [0,1,0,1,0,0|0,0,0]=2 3696 B6R1.2 O[C@@H]1CNOC1 MCULE-6838604903 [0,1,0,1,0,0|0,0,0]=2 3697 B6R1.2 O[C@H]1CCNC1 MCULE-1100098088 [0,1,0,1,0,0|1,0,0]=3 3698 B6R1.2 O[C@H]1CCNC1 MCULE-3493644065 [0,1,0,1,0,0|1,0,0]=3 3699 B6R1.2 O[C@H]1CCNC1 MCULE-3778918259 [0,1,0,1,0,0|1,0,0]=3 3700 B6R1.2 O[C@H]1CCNC1 MCULE-4680162054 [0,1,0,1,0,0|1,0,0]=3 3701 B6R1.2 O[C@H]1CCOC1 MCULE-8518846297 [0,1,0,1,0,0|0,0,0]=2 3702 B6R1.2 O[C@H]1CCOC1 MCULE-9544747995 [0,1,0,1,0,0|0,0,0]=2 3703 B6R1.2 O[C@H]1CNOC1 MCULE-1746817114 [0,1,0,1,0,0|0,0,0]=2 3704 B6R1.2 O[C@H]1CNOC1 MCULE-4469396812 [0,1,0,1,0,0|0,0,0]=2 3705 B6R1.2 O[C@H]1CNOC1 MCULE-7167785164 [0,1,0,1,0,0|0,0,0]=2 3706 B6R1.2 O[C@H]1CNOC1 MCULE-8409877332 [0,1,0,1,0,0|0,0,0]=2 3707 B6R1.2 P1(=O)OCCO1 MCULE-3753821837 [0,1,0,1,0,0|1,0,0]=3 3708 B6R1.2 SC1=NCCO1 MCULE-6684545723 [0,1,0,1,0,0|1,0,1]=4 3709 B6R1.2 SC1CCCC1 MCULE-5932400506 [0,1,0,1,0,0|1,1,0]=4 3710 B6R1.2 SC1CCOC1 MCULE-9247906418 [0,1,0,1,0,0|0,1,0]=3 3711 B6R1.2 SC1CCSC1 MCULE-5955380477 [0,1,0,1,0,0|0,2,0]=4 3712 B6R1.2 [NH3+]C1CC[NH2+]C1 MCULE-3374468196 [0,1,0,1,0,0|2,0,0]=4 3713 B6R1.3 BrCCC1CC1 MCULE-3454213225 [0,1,0,1,0,0|2,0,0]=4 3714 B6R1.3 BrCCC1CO1 MCULE-9889314000 [0,1,0,1,0,0|1,0,0]=3 3715 B6R1.3 BrCC[C@@H]1CO1 MCULE-7015242723 [0,1,0,1,0,0|1,0,0]=3 3716 B6R1.3 BrCC[C@H]1CO1 MCULE-3286755305 [0,1,0,1,0,0|1,0,0]=3 3717 B6R1.3 BrCC[C@H]1CO1 MCULE-3512143037 [0,1,0,1,0,0|1,0,0]=3 3718 B6R1.3 C#CCC1CC1 MCULE-4980990503 [0,1,0,1,0,0|2,0,0]=4 3719 B6R1.3 CC#CC1CC1 MCULE-8441018700 [0,1,0,1,0,0|2,0,0]=4 3720 B6R1.3 CCCC1CO1 MCULE-5080039224 [0,1,0,1,0,0|1,0,0]=3 3721 B6R1.3 CCC[C@@H]1CO1 MCULE-1815222100 [0,1,0,1,0,0|1,0,0]=3 3722 B6R1.3 CCC[C@H]1CO1 MCULE-9952368131 [0,1,0,1,0,0|1,0,0]=3 3723 B6R1.3 CCNC1CC1 MCULE-6542327880 [0,1,0,1,0,0|2,0,0]=4 3724 B6R1.3 CCNC1CC1 MCULE-6804557809 [0,1,0,1,0,0|2,0,0]=4 3725 B6R1.3 CCNC1CC1 MCULE-7846800898 [0,1,0,1,0,0|2,0,0]=4 3726 B6R1.3 CNCC1CC1 MCULE-4410938050 [0,1,0,1,0,0|2,0,0]=4 3727 B6R1.3 CNCC1CC1 MCULE-6365201280 [0,1,0,1,0,0|2,0,0]=4 3728 B6R1.3 COCC1CO1 MCULE-3193889854 [0,1,0,1,0,0|0,0,0]=2 3729 B6R1.3 COC[C@@H]1CO1 MCULE-8086795507 [0,1,0,1,0,0|0,0,0]=2 3730 B6R1.3 COC[C@@H]1CO1 MCULE-8921875584 [0,1,0,1,0,0|0,0,0]=2 3731 B6R1.3 COC[C@H]1CO1 MCULE-7210190703 [0,1,0,1,0,0|0,0,0]=2 3732 B6R1.3 COC[C@H]1CO1 MCULE-8979404390 [0,1,0,1,0,0|0,0,0]=2 3733 B6R1.3 CONC1CC1 MCULE-3903074552 [0,1,0,1,0,0|1,0,0]=3 3734 B6R1.3 CONC1CC1 MCULE-6248549552 [0,1,0,1,0,0|1,0,0]=3 3735 B6R1.3 CSCC1CO1 MCULE-9014850650 [0,1,0,1,0,0|0,1,0]=3 3736 B6R1.3 ClCCC1CC1 MCULE-5665496795 [0,1,0,1,0,0|2,0,0]=4 3737 B6R1.3 ClCCC1CO1 MCULE-2772510260 [0,1,0,1,0,0|1,0,0]=3 3738 B6R1.3 ICCC1CC1 MCULE-5518738700 [0,1,0,1,0,0|2,0,0]=4 3739 B6R1.3 N#CCC1CC1 MCULE-4951047709 [0,1,0,1,0,0|2,0,0]=4 3740 B6R1.3 NCCC1CC1 MCULE-8459735325 [0,1,0,1,0,0|2,0,0]=4 3741 B6R1.3 NCCC1CC1 MCULE-9646218986 [0,1,0,1,0,0|2,0,0]=4 3742 B6R1.3 NCCN1CC1 MCULE-3554584147 [0,1,0,1,0,0|2,0,0]=4 3743 B6R1.3 NNCC1CC1 MCULE-4020404918 [0,1,0,1,0,0|2,0,0]=4 3744 B6R1.3 NNCC1CC1 MCULE-7742306770 [0,1,0,1,0,0|2,0,0]=4 3745 B6R1.3 NNCC1CC1 MCULE-8978618772 [0,1,0,1,0,0|2,0,0]=4 3746 B6R1.3 NOCC1CC1 MCULE-3594146552 [0,1,0,1,0,0|1,0,0]=3 3747 B6R1.3 NOCC1CC1 MCULE-7376211865 [0,1,0,1,0,0|1,0,0]=3 3748 B6R1.3 O=CCC1CC1 MCULE-3319649937 [0,1,0,1,0,0|1,0,1]=4 3749 B6R1.3 OCCC1CC1 MCULE-1360348684 [0,1,0,1,0,0|1,0,0]=3 3750 B6R1.3 OCCC1CO1 MCULE-6523000607 [0,1,0,1,0,0|0,0,0]=2 3751 B6R1.3 OCCN1CC1 MCULE-3845187783 [0,1,0,1,0,0|1,0,0]=3 3752 B6R1.3 OCC[C@@H]1CO1 MCULE-4797533590 [0,1,0,1,0,0|0,0,0]=2 3753 B6R1.3 OCC[C@@H]1CO1 MCULE-6833850805 [0,1,0,1,0,0|0,0,0]=2 3754 B6R1.3 OCC[C@H]1CO1 MCULE-3560802495 [0,1,0,1,0,0|0,0,0]=2 3755 B6R1.3 OCC[C@H]1CO1 MCULE-8738926598 [0,1,0,1,0,0|0,0,0]=2 3756 B6R1.5 C=C1CC(C1)N MCULE-4635717695 [0,1,0,1,0,0|2,0,0]=4 3757 B6R1.5 C=C1CC(C1)N MCULE-6992894696 [0,1,0,1,0,0|2,0,0]=4 3758 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [0,1,0,1,0,0|2,0,0]=4 3759 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [0,1,0,1,0,0|1,0,1]=4 3760 B6R1.5 CC1CC(C1)N MCULE-5323299846 [0,1,0,1,0,0|2,0,0]=4 3761 B6R1.5 CC1CC(C1)N MCULE-9940885824 [0,1,0,1,0,0|2,0,0]=4 3762 B6R1.5 CC1CC(C1)O MCULE-8612661286 [0,1,0,1,0,0|1,0,0]=3 3763 B6R1.5 CC1CC(N1)C MCULE-2112479012 [0,1,0,1,0,0|2,0,0]=4 3764 B6R1.5 CC1CC(N1)C MCULE-4224653730 [0,1,0,1,0,0|2,0,0]=4 3765 B6R1.5 CN1CC(C1)Cl MCULE-8475620447 [0,1,0,1,0,0|2,0,0]=4 3766 B6R1.5 CN1CC(C1)Cl MCULE-8543507391 [0,1,0,1,0,0|2,0,0]=4 3767 B6R1.5 CN1CC(C1)N MCULE-2180239206 [0,1,0,1,0,0|2,0,0]=4 3768 B6R1.5 CN1CC(C1)N MCULE-4181047352 [0,1,0,1,0,0|2,0,0]=4 3769 B6R1.5 CN1CC(C1)O MCULE-2897194266 [0,1,0,1,0,0|1,0,0]=3 3770 B6R1.5 CN1CC(C1)O MCULE-3717153558 [0,1,0,1,0,0|1,0,0]=3 3771 B6R1.5 CN1CC(C1)O MCULE-7229396078 [0,1,0,1,0,0|1,0,0]=3 3772 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [0,1,0,1,0,0|1,0,1]=4 3773 B6R1.5 C[C@@H]1C[C@H](N1)C MCULE-1994890312 [0,1,0,1,0,0|2,0,0]=4 3774 B6R1.5 C[C@@H]1C[C@H](N1)C MCULE-7235151096 [0,1,0,1,0,0|2,0,0]=4 3775 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-1535311916 [0,1,0,1,0,0|2,0,0]=4 3776 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-2831484375 [0,1,0,1,0,0|2,0,0]=4 3777 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-4062075526 [0,1,0,1,0,0|2,0,0]=4 3778 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-8779826872 [0,1,0,1,0,0|2,0,0]=4 3779 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-9842353775 [0,1,0,1,0,0|2,0,0]=4 3780 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-9945333960 [0,1,0,1,0,0|2,0,0]=4 3781 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-7323273959 [0,1,0,1,0,0|2,0,0]=4 3782 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-9517005721 [0,1,0,1,0,0|2,0,0]=4 3783 B6R1.5 C[C@H]1C[C@H](C1)O MCULE-9757332081 [0,1,0,1,0,0|1,0,0]=3 3784 B6R1.5 C[C@H]1C[C@H](N1)C MCULE-1014047015 [0,1,0,1,0,0|2,0,0]=4 3785 B6R1.5 C[C@H]1C[C@H](N1)C MCULE-9280852387 [0,1,0,1,0,0|2,0,0]=4 3786 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [0,1,0,1,0,0|2,0,0]=4 3787 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [0,1,0,1,0,0|2,0,0]=4 3788 B6R1.5 NC1CC(C1)Br MCULE-1024702653 [0,1,0,1,0,0|2,0,0]=4 3789 B6R1.5 NC1CC(C1)Br MCULE-6956910745 [0,1,0,1,0,0|2,0,0]=4 3790 B6R1.5 NC1CC(C1)Cl MCULE-2079032271 [0,1,0,1,0,0|2,0,0]=4 3791 B6R1.5 NC1CC(C1)Cl MCULE-9907911910 [0,1,0,1,0,0|2,0,0]=4 3792 B6R1.5 NC1CC(C1)F MCULE-8668562856 [0,1,0,1,0,0|2,0,0]=4 3793 B6R1.5 NC1CC(C1)F MCULE-9413732351 [0,1,0,1,0,0|2,0,0]=4 3794 B6R1.5 NC1CC(C1)N MCULE-2499828215 [0,1,0,1,0,0|2,0,0]=4 3795 B6R1.5 NC1CC(C1)N MCULE-9585725038 [0,1,0,1,0,0|2,0,0]=4 3796 B6R1.5 NC1CC(C1)O MCULE-3800806511 [0,1,0,1,0,0|1,0,0]=3 3797 B6R1.5 NC1CC(C1)O MCULE-4101412744 [0,1,0,1,0,0|1,0,0]=3 3798 B6R1.5 NN1CC(C1)O MCULE-1883589988 [0,1,0,1,0,0|1,0,0]=3 3799 B6R1.5 NN1CC(C1)O MCULE-4736517920 [0,1,0,1,0,0|1,0,0]=3 3800 B6R1.5 N[C@H]1C[C@@H](C1)Br MCULE-2563959776 [0,1,0,1,0,0|2,0,0]=4 3801 B6R1.5 N[C@H]1C[C@@H](C1)Br MCULE-4159438704 [0,1,0,1,0,0|2,0,0]=4 3802 B6R1.5 N[C@H]1C[C@@H](C1)F MCULE-1693657713 [0,1,0,1,0,0|2,0,0]=4 3803 B6R1.5 N[C@H]1C[C@@H](C1)F MCULE-2842964955 [0,1,0,1,0,0|2,0,0]=4 3804 B6R1.5 N[C@H]1C[C@@H](C1)N MCULE-7371432215 [0,1,0,1,0,0|2,0,0]=4 3805 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-3690359453 [0,1,0,1,0,0|1,0,0]=3 3806 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-6031478808 [0,1,0,1,0,0|1,0,0]=3 3807 B6R1.5 N[C@H]1C[C@H](C1)F MCULE-7248556800 [0,1,0,1,0,0|2,0,0]=4 3808 B6R1.5 N[C@H]1C[C@H](C1)F MCULE-8169894230 [0,1,0,1,0,0|2,0,0]=4 3809 B6R1.5 N[C@H]1C[C@H](C1)N MCULE-2358029728 [0,1,0,1,0,0|2,0,0]=4 3810 B6R1.5 N[C@H]1C[C@H](C1)N MCULE-8703864989 [0,1,0,1,0,0|2,0,0]=4 3811 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2367486822 [0,1,0,1,0,0|1,0,0]=3 3812 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2477923057 [0,1,0,1,0,0|1,0,0]=3 3813 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [0,1,0,1,0,0|2,0,0]=4 3814 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [0,1,0,1,0,0|2,0,0]=4 3815 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [0,1,0,1,0,0|1,0,0]=3 3816 B6R1.5 OC1CC(C1)Br MCULE-8550195809 [0,1,0,1,0,0|1,0,0]=3 3817 B6R1.5 OC1CC(C1)F MCULE-7130501241 [0,1,0,1,0,0|1,0,0]=3 3818 B6R1.5 OC1CC(C1)O MCULE-4391504671 [0,1,0,1,0,0|1,0,0]=3 3819 B6R1.5 O[C@H]1C[C@@H](C1)F MCULE-8960643165 [0,1,0,1,0,0|1,0,0]=3 3820 B6R1.5 O[C@H]1C[C@@H](C1)O MCULE-5524471729 [0,1,0,1,0,0|1,0,0]=3 3821 B6R1.5 O[C@H]1C[C@H](C1)O MCULE-7725166436 [0,1,0,1,0,0|1,0,0]=3 3822 B6R1.5 [C@@H]1(C[C@@H](C1)N)N MCULE-6268630823 [0,1,0,1,0,0|2,0,0]=4 3823 B6R1.5 [C@@H]1(C[C@H](C1)F)O MCULE-5214761916 [0,1,0,1,0,0|1,0,0]=3 3824 B6R1.8 C=C1CC1CO MCULE-4338601055 [0,1,0,1,0,0|1,0,0]=3 3825 B6R1.8 CC1CC1C#N MCULE-4373618430 [0,1,0,1,0,0|2,0,0]=4 3826 B6R1.8 CC1CC1C=O MCULE-2600627355 [0,1,0,1,0,0|1,0,1]=4 3827 B6R1.8 CC1CC1CN MCULE-2810102174 [0,1,0,1,0,0|2,0,0]=4 3828 B6R1.8 CC1CC1CN MCULE-7518062300 [0,1,0,1,0,0|2,0,0]=4 3829 B6R1.8 CC1CC1CO MCULE-5196594569 [0,1,0,1,0,0|1,0,0]=3 3830 B6R1.8 CC1OC1CBr MCULE-3133107383 [0,1,0,1,0,0|1,0,0]=3 3831 B6R1.8 CC1OC1CO MCULE-1680425960 [0,1,0,1,0,0|0,0,0]=2 3832 B6R1.8 CCC1CC1N MCULE-6304873051 [0,1,0,1,0,0|2,0,0]=4 3833 B6R1.8 CC[C@@H]1C[C@@H]1N MCULE-9218626187 [0,1,0,1,0,0|2,0,0]=4 3834 B6R1.8 CC[C@@H]1C[C@H]1N MCULE-5365117215 [0,1,0,1,0,0|2,0,0]=4 3835 B6R1.8 CC[C@@H]1C[C@H]1N MCULE-9993971387 [0,1,0,1,0,0|2,0,0]=4 3836 B6R1.8 CC[C@H]1C[C@@H]1N MCULE-5971477946 [0,1,0,1,0,0|2,0,0]=4 3837 B6R1.8 CC[C@H]1C[C@H]1N MCULE-4387456908 [0,1,0,1,0,0|2,0,0]=4 3838 B6R1.8 COC1CC1N MCULE-6836691149 [0,1,0,1,0,0|1,0,0]=3 3839 B6R1.8 COC1CC1N MCULE-9062056960 [0,1,0,1,0,0|1,0,0]=3 3840 B6R1.8 CO[C@@H]1C[C@@H]1N MCULE-6456572695 [0,1,0,1,0,0|1,0,0]=3 3841 B6R1.8 CO[C@@H]1C[C@@H]1N MCULE-9755300484 [0,1,0,1,0,0|1,0,0]=3 3842 B6R1.8 CO[C@@H]1C[C@H]1N MCULE-3862342520 [0,1,0,1,0,0|1,0,0]=3 3843 B6R1.8 CO[C@@H]1C[C@H]1N MCULE-4120361377 [0,1,0,1,0,0|1,0,0]=3 3844 B6R1.8 CO[C@H]1C[C@@H]1N MCULE-6295001950 [0,1,0,1,0,0|1,0,0]=3 3845 B6R1.8 CO[C@H]1C[C@@H]1N MCULE-7524472312 [0,1,0,1,0,0|1,0,0]=3 3846 B6R1.8 CO[C@H]1C[C@H]1N MCULE-3000810470 [0,1,0,1,0,0|1,0,0]=3 3847 B6R1.8 CO[C@H]1C[C@H]1N MCULE-6255571706 [0,1,0,1,0,0|1,0,0]=3 3848 B6R1.8 C[C@@H]1C[C@@H]1CN MCULE-5971817939 [0,1,0,1,0,0|2,0,0]=4 3849 B6R1.8 C[C@@H]1C[C@@H]1CO MCULE-7143685612 [0,1,0,1,0,0|1,0,0]=3 3850 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3418148363 [0,1,0,1,0,0|2,0,0]=4 3851 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3519756910 [0,1,0,1,0,0|2,0,0]=4 3852 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3649923384 [0,1,0,1,0,0|2,0,0]=4 3853 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-8330237030 [0,1,0,1,0,0|2,0,0]=4 3854 B6R1.8 C[C@@H]1C[C@H]1CO MCULE-3741611930 [0,1,0,1,0,0|1,0,0]=3 3855 B6R1.8 C[C@H]1C[C@@H]1CN MCULE-9856477951 [0,1,0,1,0,0|2,0,0]=4 3856 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-2846304871 [0,1,0,1,0,0|1,0,0]=3 3857 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-9275931471 [0,1,0,1,0,0|1,0,0]=3 3858 B6R1.8 C[C@H]1C[C@H]1CN MCULE-4949172422 [0,1,0,1,0,0|2,0,0]=4 3859 B6R1.8 C[C@H]1C[C@H]1CO MCULE-3828120088 [0,1,0,1,0,0|1,0,0]=3 3860 B6R1.8 C[C@H]1C[C@H]1CO MCULE-8442952820 [0,1,0,1,0,0|1,0,0]=3 3861 B6R1.8 NC1CC1CO MCULE-7666097515 [0,1,0,1,0,0|1,0,0]=3 3862 B6R1.8 NCC1CC1N MCULE-4864283129 [0,1,0,1,0,0|2,0,0]=4 3863 B6R1.8 NCC1CC1N MCULE-7029010792 [0,1,0,1,0,0|2,0,0]=4 3864 B6R1.8 OCC1CC1Cl MCULE-1321755136 [0,1,0,1,0,0|1,0,0]=3 3865 B6R1.8 OCC1C[C@@H]1F MCULE-2637570432 [0,1,0,1,0,0|1,0,0]=3 3866 B6R1.8 OC[C@@H]1C[C@@H]1F MCULE-9090620006 [0,1,0,1,0,0|1,0,0]=3 3867 B6R1.8 OC[C@@H]1C[C@H]1Br MCULE-8344332753 [0,1,0,1,0,0|1,0,0]=3 3868 B6R1.8 OC[C@@H]1C[C@H]1F MCULE-6282037947 [0,1,0,1,0,0|1,0,0]=3 3869 B6R1.8 OC[C@@H]1C[C@H]1F MCULE-8944803823 [0,1,0,1,0,0|1,0,0]=3 3870 B6R1.8 OC[C@H]1C[C@@H]1F MCULE-3157094299 [0,1,0,1,0,0|1,0,0]=3 3871 B6R1.9 CC1(CC1Br)C MCULE-4060390279 [0,1,0,1,0,0|2,0,0]=4 3872 B6R1.9 CC1(CC1Br)N MCULE-2545863228 [0,1,0,1,0,0|2,0,0]=4 3873 B6R1.9 CC1(CC1Br)N MCULE-6976008667 [0,1,0,1,0,0|2,0,0]=4 3874 B6R1.9 CC1(CC1N)C MCULE-3767513819 [0,1,0,1,0,0|2,0,0]=4 3875 B6R1.9 CC1(CC1N)C MCULE-9259559793 [0,1,0,1,0,0|2,0,0]=4 3876 B6R1.9 CC1(CC1O)C MCULE-2207251369 [0,1,0,1,0,0|1,0,0]=3 3877 B6R1.9 CC1(C[C@@H]1N)C MCULE-8232974349 [0,1,0,1,0,0|2,0,0]=4 3878 B6R1.9 CC1(C[C@@H]1N)C MCULE-9299327749 [0,1,0,1,0,0|2,0,0]=4 3879 B6R1.9 CC1(C[C@H]1N)C MCULE-2015844172 [0,1,0,1,0,0|2,0,0]=4 3880 B6R1.9 CC1(C[C@H]1N)C MCULE-8301129744 [0,1,0,1,0,0|2,0,0]=4 3881 B6R1.9 CC1CC1(C)N MCULE-2748884505 [0,1,0,1,0,0|2,0,0]=4 3882 B6R1.9 CC1CC1(C)N MCULE-6309103404 [0,1,0,1,0,0|2,0,0]=4 3883 B6R1.9 OC1CC1(F)F MCULE-7582982777 [0,1,0,1,0,0|2,0,0]=4 3884 B6R1.10 CC1(CCC1)N MCULE-1932351179 [0,1,0,1,0,0|2,0,0]=4 3885 B6R1.10 CC1(CCC1)N MCULE-9177696302 [0,1,0,1,0,0|2,0,0]=4 3886 B6R1.10 CC1(CCC1)O MCULE-4021675717 [0,1,0,1,0,0|1,0,0]=3 3887 B6R1.10 CC1(CCN1)C MCULE-2285435720 [0,1,0,1,0,0|2,0,0]=4 3888 B6R1.10 CC1(CCN1)C MCULE-3069932253 [0,1,0,1,0,0|2,0,0]=4 3889 B6R1.10 CC1(CNC1)C MCULE-3517219548 [0,1,0,1,0,0|2,0,0]=4 3890 B6R1.10 CC1(CNC1)C MCULE-5061041754 [0,1,0,1,0,0|2,0,0]=4 3891 B6R1.10 CC1(CNC1)C MCULE-5492476724 [0,1,0,1,0,0|2,0,0]=4 3892 B6R1.10 CC1(CNC1)Cl MCULE-3595140428 [0,1,0,1,0,0|2,0,0]=4 3893 B6R1.10 CC1(CNC1)Cl MCULE-8438469477 [0,1,0,1,0,0|2,0,0]=4 3894 B6R1.10 CC1(CNC1)F MCULE-7000543505 [0,1,0,1,0,0|2,0,0]=4 3895 B6R1.10 CC1(CNC1)F MCULE-7759338569 [0,1,0,1,0,0|2,0,0]=4 3896 B6R1.10 CC1(CNC1)F MCULE-9304965411 [0,1,0,1,0,0|2,0,0]=4 3897 B6R1.10 CC1(CNC1)N MCULE-1173151740 [0,1,0,1,0,0|2,0,0]=4 3898 B6R1.10 CC1(CNC1)N MCULE-6392665768 [0,1,0,1,0,0|2,0,0]=4 3899 B6R1.10 CC1(CNC1)O MCULE-3071077269 [0,1,0,1,0,0|1,0,0]=3 3900 B6R1.10 CC1(CNC1)O MCULE-9470244891 [0,1,0,1,0,0|1,0,0]=3 3901 B6R1.10 CC1(COC1)C MCULE-9708520911 [0,1,0,1,0,0|1,0,0]=3 3902 B6R1.10 CC1(COC1)N MCULE-4010481806 [0,1,0,1,0,0|1,0,0]=3 3903 B6R1.10 CC1(COC1)N MCULE-5777029344 [0,1,0,1,0,0|1,0,0]=3 3904 B6R1.10 CC1(COC1)N MCULE-6613141585 [0,1,0,1,0,0|1,0,0]=3 3905 B6R1.10 CC1(COC1)O MCULE-9813168910 [0,1,0,1,0,0|0,0,0]=2 3906 B6R1.10 CC1(CSC1)N MCULE-7421240458 [0,1,0,1,0,0|1,1,0]=4 3907 B6R1.10 CC1(CSC1)N MCULE-9910201476 [0,1,0,1,0,0|1,1,0]=4 3908 B6R1.10 CC1(CSC1)O MCULE-9703448589 [0,1,0,1,0,0|0,1,0]=3 3909 B6R1.10 C[Si]1(CCC1)C MCULE-9944003023 [0,1,0,1,0,0|2,0,0]=4 3910 B6R1.10 C[Si]1(CCC1)Cl MCULE-2261277636 [0,1,0,1,0,0|2,0,0]=4 3911 B6R1.10 FC1(CNC1)F MCULE-2222992288 [0,1,0,1,0,0|2,0,0]=4 3912 B6R1.10 FC1(CNC1)F MCULE-3193422535 [0,1,0,1,0,0|2,0,0]=4 3913 B6R1.10 FC1(COC1)F MCULE-3409014198 [0,1,0,1,0,0|1,0,0]=3 3914 B6R1.11 C=C(C)C1CO1 MCULE-3656533343 [0,1,0,1,0,0|1,0,0]=3 3915 B6R1.11 C=C(Cl)C1CO1 MCULE-5190310903 [0,1,0,1,0,0|1,0,1]=4 3916 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [0,1,0,1,0,0|2,0,0]=4 3917 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [0,1,0,1,0,0|1,0,0]=3 3918 B6R1.11 CC(C)C1CO1 MCULE-6294069717 [0,1,0,1,0,0|1,0,0]=3 3919 B6R1.11 CC(C)[C@@H]1CO1 MCULE-9181831987 [0,1,0,1,0,0|1,0,0]=3 3920 B6R1.11 CC(C)[C@H]1CO1 MCULE-1978831452 [0,1,0,1,0,0|1,0,0]=3 3921 B6R1.11 CC(Cl)C1CC1 MCULE-7361335709 [0,1,0,1,0,0|2,0,0]=4 3922 B6R1.11 CC(N)C1CC1 MCULE-2052303800 [0,1,0,1,0,0|2,0,0]=4 3923 B6R1.11 CC(N)C1CC1 MCULE-3007763115 [0,1,0,1,0,0|2,0,0]=4 3924 B6R1.11 CC(N)C1CC1 MCULE-3459276996 [0,1,0,1,0,0|2,0,0]=4 3925 B6R1.11 CC(N)C1CC1 MCULE-6761961556 [0,1,0,1,0,0|2,0,0]=4 3926 B6R1.11 CC(O)C1CC1 MCULE-8628810684 [0,1,0,1,0,0|1,0,0]=3 3927 B6R1.11 CC(O)C1CO1 MCULE-2044990126 [0,1,0,1,0,0|0,0,0]=2 3928 B6R1.11 CN(C)C1CC1 MCULE-5891640069 [0,1,0,1,0,0|2,0,0]=4 3929 B6R1.11 CN(C)C1CC1 MCULE-6751529979 [0,1,0,1,0,0|2,0,0]=4 3930 B6R1.11 CN(N)C1CC1 MCULE-4590166937 [0,1,0,1,0,0|2,0,0]=4 3931 B6R1.11 CN(N)C1CC1 MCULE-7317282450 [0,1,0,1,0,0|2,0,0]=4 3932 B6R1.11 C[C@@H](N)C1CC1 MCULE-2097889079 [0,1,0,1,0,0|2,0,0]=4 3933 B6R1.11 C[C@@H](N)C1CC1 MCULE-3667125695 [0,1,0,1,0,0|2,0,0]=4 3934 B6R1.11 C[C@@H](N)C1CC1 MCULE-4529741221 [0,1,0,1,0,0|2,0,0]=4 3935 B6R1.11 C[C@@H](N)C1CC1 MCULE-4996656085 [0,1,0,1,0,0|2,0,0]=4 3936 B6R1.11 C[C@@H](O)C1CC1 MCULE-8359847821 [0,1,0,1,0,0|1,0,0]=3 3937 B6R1.11 C[C@H](N)C1CC1 MCULE-5080052640 [0,1,0,1,0,0|2,0,0]=4 3938 B6R1.11 C[C@H](N)C1CC1 MCULE-8331040870 [0,1,0,1,0,0|2,0,0]=4 3939 B6R1.11 C[C@H](N)C1CC1 MCULE-8367240790 [0,1,0,1,0,0|2,0,0]=4 3940 B6R1.11 C[C@H](N)C1CC1 MCULE-8726268701 [0,1,0,1,0,0|2,0,0]=4 3941 B6R1.11 C[C@H](O)C1CC1 MCULE-2458075152 [0,1,0,1,0,0|1,0,0]=3 3942 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [0,1,0,1,0,0|0,0,2]=4 3943 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [0,1,0,1,0,0|1,0,1]=4 3944 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [0,1,0,1,0,0|1,0,1]=4 3945 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [0,1,0,1,0,0|0,0,1]=3 3946 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [0,1,0,1,0,0|1,0,1]=4 3947 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [0,1,0,1,0,0|1,0,1]=4 3948 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [0,1,0,1,0,0|0,0,1]=3 3949 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [0,1,0,1,0,0|0,0,1]=3 3950 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [0,1,0,1,0,0|0,0,2]=4 3951 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [0,1,0,1,0,0|0,0,2]=4 3952 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [0,1,0,1,0,0|0,0,2]=4 3953 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [0,1,0,1,0,0|0,0,2]=4 3954 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [0,1,0,1,0,0|0,0,2]=4 3955 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [0,1,0,1,0,0|0,0,2]=4 3956 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [0,1,0,1,0,0|0,0,2]=4 3957 B6R1.11 O=S(O)C1CC1 MCULE-1616243918 [0,1,0,1,0,0|2,0,0]=4 3958 B6R1.11 OB(O)C1CC1 MCULE-5364427631 [0,1,0,1,0,0|2,0,0]=4 3959 B6R1.1 C1=CCCCC1 MCULE-3564016252 [0,1,0,1,0,0|2,0,0]=4 3960 B6R1.1 C1=CCNCC1 MCULE-4850984502 [0,1,0,1,0,0|2,0,0]=4 3961 B6R1.1 C1=CCNCC1 MCULE-9744767398 [0,1,0,1,0,0|2,0,0]=4 3962 B6R1.1 C1=CCOCC1 MCULE-7723901693 [0,1,0,1,0,0|1,0,0]=3 3963 B6R1.1 C1=CCONC1 MCULE-7264346127 [0,1,0,1,0,0|1,0,1]=4 3964 B6R1.1 C1=CCONC1 MCULE-7621269131 [0,1,0,1,0,0|1,0,1]=4 3965 B6R1.1 C1=COCCC1 MCULE-1260841717 [0,1,0,1,0,0|1,0,1]=4 3966 B6R1.1 C1=COCCO1 MCULE-2562788031 [0,1,0,1,0,0|0,0,1]=3 3967 B6R1.1 C1=COCOC1 MCULE-9916358884 [0,1,0,1,0,0|0,0,1]=3 3968 B6R1.1 C1=NCCCC1 MCULE-7101012273 [0,1,0,1,0,0|2,0,0]=4 3969 B6R1.1 C1CCCCC1 MCULE-3136361765 [0,1,0,1,0,0|2,0,0]=4 3970 B6R1.1 C1CCNCC1 MCULE-4094049864 [0,1,0,1,0,0|2,0,0]=4 3971 B6R1.1 C1CCNNC1 MCULE-6440414301 [0,1,0,1,0,0|2,0,0]=4 3972 B6R1.1 C1CCNNC1 MCULE-6764314654 [0,1,0,1,0,0|2,0,0]=4 3973 B6R1.1 C1CCOCC1 MCULE-6904583049 [0,1,0,1,0,0|1,0,0]=3 3974 B6R1.1 C1CCONC1 MCULE-4106728300 [0,1,0,1,0,0|1,0,0]=3 3975 B6R1.1 C1CCONC1 MCULE-7653057344 [0,1,0,1,0,0|1,0,0]=3 3976 B6R1.1 C1CCSCC1 MCULE-5775966946 [0,1,0,1,0,0|1,1,0]=4 3977 B6R1.1 C1CNCCN1 MCULE-1581360805 [0,1,0,1,0,0|2,0,0]=4 3978 B6R1.1 C1CNCCN1 MCULE-3262369531 [0,1,0,1,0,0|2,0,0]=4 3979 B6R1.1 C1CNCCN1 MCULE-4322783360 [0,1,0,1,0,0|2,0,0]=4 3980 B6R1.1 C1CNCCN1 MCULE-5522245554 [0,1,0,1,0,0|2,0,0]=4 3981 B6R1.1 C1CNCCN1 MCULE-6779430492 [0,1,0,1,0,0|2,0,0]=4 3982 B6R1.1 C1CNCCN1 MCULE-9358926351 [0,1,0,1,0,0|2,0,0]=4 3983 B6R1.1 C1CNCCN1 MCULE-9768146432 [0,1,0,1,0,0|2,0,0]=4 3984 B6R1.1 C1CNCOC1 MCULE-7862832103 [0,1,0,1,0,0|1,0,0]=3 3985 B6R1.1 C1CNCSC1 MCULE-2728084068 [0,1,0,1,0,0|1,1,0]=4 3986 B6R1.1 C1CNCSC1 MCULE-3301332730 [0,1,0,1,0,0|1,1,0]=4 3987 B6R1.1 C1COCCN1 MCULE-2533030492 [0,1,0,1,0,0|1,0,0]=3 3988 B6R1.1 C1COCCN1 MCULE-4684386765 [0,1,0,1,0,0|1,0,0]=3 3989 B6R1.1 C1COCCN1 MCULE-8040983584 [0,1,0,1,0,0|1,0,0]=3 3990 B6R1.1 C1COCCO1 MCULE-5088019198 [0,1,0,1,0,0|0,0,0]=2 3991 B6R1.1 C1COCC[NH2+]1 MCULE-5238323153 [0,1,0,1,0,0|1,0,0]=3 3992 B6R1.1 C1COCOC1 MCULE-3698539550 [0,1,0,1,0,0|0,0,0]=2 3993 B6R1.1 C1CSCCN1 MCULE-6420970424 [0,1,0,1,0,0|1,1,0]=4 3994 B6R1.1 C1CSCCN1 MCULE-8670233998 [0,1,0,1,0,0|1,1,0]=4 3995 B6R1.1 C1CSCCO1 MCULE-5803800470 [0,1,0,1,0,0|0,1,0]=3 3996 B6R1.1 C1CSCCS1 MCULE-6198913745 [0,1,0,1,0,0|0,2,0]=4 3997 B6R1.1 C1CSCSC1 MCULE-5626011651 [0,1,0,1,0,0|0,2,0]=4 3998 B6R1.1 C1C[Se]CCN1 MCULE-6480197745 [0,1,0,1,0,0|1,1,0]=4 3999 B6R1.1 C1OCOCO1 MCULE-9548551067 [0,1,0,1,0,0|0,0,0]=2 4000 B6R1.1 C1SCSCS1 MCULE-3647940045 [0,1,0,1,0,0|0,2,0]=4 4001 B6R1.4 CC1CCC1=O MCULE-4548181715 [0,1,0,1,0,0|1,0,1]=4 4002 B6R1.4 CC1CCC1N MCULE-9634057678 [0,1,0,1,0,0|2,0,0]=4 4003 B6R1.4 CC1CCC1N MCULE-9849489304 [0,1,0,1,0,0|2,0,0]=4 4004 B6R1.4 CC1CCC1O MCULE-3852133104 [0,1,0,1,0,0|1,0,0]=3 4005 B6R1.4 CC1CNC1C MCULE-6217110869 [0,1,0,1,0,0|2,0,0]=4 4006 B6R1.4 CC1CNC1C MCULE-8966220604 [0,1,0,1,0,0|2,0,0]=4 4007 B6R1.4 CC1COC1=O MCULE-9711165188 [0,1,0,1,0,0|1,0,1]=4 4008 B6R1.4 CC1NCC1F MCULE-2205876595 [0,1,0,1,0,0|2,0,0]=4 4009 B6R1.4 CC1NCC1F MCULE-3575637458 [0,1,0,1,0,0|2,0,0]=4 4010 B6R1.4 CC1NCC1O MCULE-6512695808 [0,1,0,1,0,0|1,0,0]=3 4011 B6R1.4 CC1NCC1O MCULE-8357296054 [0,1,0,1,0,0|1,0,0]=3 4012 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,1,0,1,0,0|0,0,2]=4 4013 B6R1.4 CC1OCC1O MCULE-1893283492 [0,1,0,1,0,0|0,0,0]=2 4014 B6R1.4 C[C@@H]1CC[C@@H]1N MCULE-9803413081 [0,1,0,1,0,0|2,0,0]=4 4015 B6R1.4 C[C@@H]1CC[C@H]1N MCULE-3888655890 [0,1,0,1,0,0|2,0,0]=4 4016 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-5099590573 [0,1,0,1,0,0|2,0,0]=4 4017 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-6754257002 [0,1,0,1,0,0|2,0,0]=4 4018 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-7084262632 [0,1,0,1,0,0|2,0,0]=4 4019 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-9147724667 [0,1,0,1,0,0|2,0,0]=4 4020 B6R1.4 C[C@@H]1NC[C@@H]1F MCULE-2104999017 [0,1,0,1,0,0|2,0,0]=4 4021 B6R1.4 C[C@@H]1NC[C@@H]1F MCULE-9859591204 [0,1,0,1,0,0|2,0,0]=4 4022 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-1528414534 [0,1,0,1,0,0|1,0,0]=3 4023 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-2910306067 [0,1,0,1,0,0|1,0,0]=3 4024 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3197698089 [0,1,0,1,0,0|1,0,0]=3 4025 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3295326997 [0,1,0,1,0,0|1,0,0]=3 4026 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-5640695802 [0,1,0,1,0,0|1,0,0]=3 4027 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-7598216076 [0,1,0,1,0,0|1,0,0]=3 4028 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-2384338566 [0,1,0,1,0,0|2,0,0]=4 4029 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-3761027062 [0,1,0,1,0,0|2,0,0]=4 4030 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-7625337051 [0,1,0,1,0,0|2,0,0]=4 4031 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-8482078532 [0,1,0,1,0,0|2,0,0]=4 4032 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3152396704 [0,1,0,1,0,0|1,0,0]=3 4033 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3248209918 [0,1,0,1,0,0|1,0,0]=3 4034 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3575939824 [0,1,0,1,0,0|1,0,0]=3 4035 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-4120662394 [0,1,0,1,0,0|1,0,0]=3 4036 B6R1.4 C[C@H]1CC[C@@H]1N MCULE-1445146965 [0,1,0,1,0,0|2,0,0]=4 4037 B6R1.4 C[C@H]1CC[C@H]1N MCULE-3329522369 [0,1,0,1,0,0|2,0,0]=4 4038 B6R1.4 C[C@H]1NC[C@@H]1F MCULE-6266484815 [0,1,0,1,0,0|2,0,0]=4 4039 B6R1.4 C[C@H]1NC[C@@H]1F MCULE-9525975864 [0,1,0,1,0,0|2,0,0]=4 4040 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-3510002118 [0,1,0,1,0,0|1,0,0]=3 4041 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-6901722671 [0,1,0,1,0,0|1,0,0]=3 4042 B6R1.4 C[C@H]1NC[C@H]1F MCULE-6303998999 [0,1,0,1,0,0|2,0,0]=4 4043 B6R1.4 C[C@H]1NC[C@H]1F MCULE-8897044344 [0,1,0,1,0,0|2,0,0]=4 4044 B6R1.4 C[C@H]1NC[C@H]1O MCULE-1733557375 [0,1,0,1,0,0|1,0,0]=3 4045 B6R1.4 C[C@H]1NC[C@H]1O MCULE-3026150373 [0,1,0,1,0,0|1,0,0]=3 4046 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7386387747 [0,1,0,1,0,0|1,0,0]=3 4047 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7405032693 [0,1,0,1,0,0|1,0,0]=3 4048 B6R1.4 NC1CCC1F MCULE-1403984623 [0,1,0,1,0,0|2,0,0]=4 4049 B6R1.4 NC1CCC1F MCULE-8216841286 [0,1,0,1,0,0|2,0,0]=4 4050 B6R1.4 NC1CCC1N MCULE-6052332328 [0,1,0,1,0,0|2,0,0]=4 4051 B6R1.4 NC1CCC1O MCULE-4636397534 [0,1,0,1,0,0|1,0,0]=3 4052 B6R1.4 NC1CCC1O MCULE-7148132261 [0,1,0,1,0,0|1,0,0]=3 4053 B6R1.4 NC1COC1=O MCULE-6998565452 [0,1,0,1,0,0|1,0,1]=4 4054 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-1054283097 [0,1,0,1,0,0|1,0,0]=3 4055 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-3905992171 [0,1,0,1,0,0|1,0,0]=3 4056 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-6111990015 [0,1,0,1,0,0|1,0,0]=3 4057 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-9101755956 [0,1,0,1,0,0|1,0,0]=3 4058 B6R1.4 N[C@@H]1CC[C@H]1N MCULE-6204977772 [0,1,0,1,0,0|2,0,0]=4 4059 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-1883601377 [0,1,0,1,0,0|1,0,0]=3 4060 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-6045787726 [0,1,0,1,0,0|1,0,0]=3 4061 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-7120290402 [0,1,0,1,0,0|1,0,0]=3 4062 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-8603369729 [0,1,0,1,0,0|1,0,0]=3 4063 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,1,0,1,0,0|1,0,1]=4 4064 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,1,0,1,0,0|1,0,1]=4 4065 B6R1.4 N[C@H]1CC[C@@H]1N MCULE-3551063683 [0,1,0,1,0,0|2,0,0]=4 4066 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-1761694918 [0,1,0,1,0,0|1,0,0]=3 4067 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-2828590958 [0,1,0,1,0,0|1,0,0]=3 4068 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-3261752057 [0,1,0,1,0,0|1,0,0]=3 4069 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-7711512049 [0,1,0,1,0,0|1,0,0]=3 4070 B6R1.4 N[C@H]1CC[C@H]1N MCULE-2823061893 [0,1,0,1,0,0|2,0,0]=4 4071 B6R1.4 N[C@H]1CC[C@H]1N MCULE-6752412872 [0,1,0,1,0,0|2,0,0]=4 4072 B6R1.4 N[C@H]1CC[C@H]1O MCULE-3204268809 [0,1,0,1,0,0|1,0,0]=3 4073 B6R1.4 N[C@H]1CC[C@H]1O MCULE-4184135738 [0,1,0,1,0,0|1,0,0]=3 4074 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,1,0,1,0,0|1,0,1]=4 4075 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,1,0,1,0,0|1,0,1]=4 4076 B6R1.4 OC1CCC1O MCULE-3286787157 [0,1,0,1,0,0|1,0,0]=3 4077 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-5060593050 [0,1,0,1,0,0|1,0,0]=3 4078 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-6357622033 [0,1,0,1,0,0|1,0,0]=3 4079 B6R1.4 O[C@H]1CC[C@H]1O MCULE-7964152901 [0,1,0,1,0,0|1,0,0]=3 4080 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,1,0,1,0,0|1,0,1]=4 4081 B6R1.6 BrCC1CCC1 MCULE-6307620219 [0,1,0,1,0,0|2,0,0]=4 4082 B6R1.6 BrCC1CCO1 MCULE-8997197221 [0,1,0,1,0,0|1,0,0]=3 4083 B6R1.6 BrCC1CNC1 MCULE-5889797727 [0,1,0,1,0,0|2,0,0]=4 4084 B6R1.6 BrCC1CNC1 MCULE-7668948015 [0,1,0,1,0,0|2,0,0]=4 4085 B6R1.6 BrCC1COC1 MCULE-3267235863 [0,1,0,1,0,0|1,0,0]=3 4086 B6R1.6 BrC[C@@H]1CCO1 MCULE-5332541596 [0,1,0,1,0,0|1,0,0]=3 4087 B6R1.6 BrC[C@H]1CCO1 MCULE-4327725094 [0,1,0,1,0,0|1,0,0]=3 4088 B6R1.6 BrC[C@H]1CCO1 MCULE-5319595119 [0,1,0,1,0,0|1,0,0]=3 4089 B6R1.6 C#CC1CCC1 MCULE-3076610847 [0,1,0,1,0,0|2,0,0]=4 4090 B6R1.6 C#CC1CCO1 MCULE-6571223458 [0,1,0,1,0,0|1,0,1]=4 4091 B6R1.6 C#CC1CNC1 MCULE-4651971465 [0,1,0,1,0,0|2,0,0]=4 4092 B6R1.6 C#CC1CNC1 MCULE-9377887865 [0,1,0,1,0,0|2,0,0]=4 4093 B6R1.6 C#CC1COC1 MCULE-8724712442 [0,1,0,1,0,0|1,0,0]=3 4094 B6R1.6 C1(CCN1)CO MCULE-6309114010 [0,1,0,1,0,0|1,0,0]=3 4095 B6R1.6 C=CC1CNC1 MCULE-9929515921 [0,1,0,1,0,0|2,0,0]=4 4096 B6R1.6 CCC1CCN1 MCULE-2791335818 [0,1,0,1,0,0|2,0,0]=4 4097 B6R1.6 CCC1CCN1 MCULE-3929810240 [0,1,0,1,0,0|2,0,0]=4 4098 B6R1.6 CCC1CNC1 MCULE-5314495230 [0,1,0,1,0,0|2,0,0]=4 4099 B6R1.6 CCC1CNC1 MCULE-6675770601 [0,1,0,1,0,0|2,0,0]=4 4100 B6R1.6 CNC1CCC1 MCULE-1364608179 [0,1,0,1,0,0|2,0,0]=4 4101 B6R1.6 CNC1CCC1 MCULE-2951993315 [0,1,0,1,0,0|2,0,0]=4 4102 B6R1.6 CNC1CCN1 MCULE-7769870554 [0,1,0,1,0,0|2,0,0]=4 4103 B6R1.6 CNC1CCN1 MCULE-9764026934 [0,1,0,1,0,0|2,0,0]=4 4104 B6R1.6 CNC1CNC1 MCULE-1099597328 [0,1,0,1,0,0|2,0,0]=4 4105 B6R1.6 CNC1CNC1 MCULE-1308867000 [0,1,0,1,0,0|2,0,0]=4 4106 B6R1.6 CNC1COC1 MCULE-2040978636 [0,1,0,1,0,0|1,0,0]=3 4107 B6R1.6 CNC1COC1 MCULE-3130259264 [0,1,0,1,0,0|1,0,0]=3 4108 B6R1.6 CNC1COC1 MCULE-4618612030 [0,1,0,1,0,0|1,0,0]=3 4109 B6R1.6 CNC1CSC1 MCULE-6729829548 [0,1,0,1,0,0|1,1,0]=4 4110 B6R1.6 CNC1CSC1 MCULE-7173779891 [0,1,0,1,0,0|1,1,0]=4 4111 B6R1.6 COC1CNC1 MCULE-1522685592 [0,1,0,1,0,0|1,0,0]=3 4112 B6R1.6 COC1CNC1 MCULE-4835486151 [0,1,0,1,0,0|1,0,0]=3 4113 B6R1.6 CSC1CNC1 MCULE-2006549414 [0,1,0,1,0,0|1,1,0]=4 4114 B6R1.6 CSC1CNC1 MCULE-6024405532 [0,1,0,1,0,0|1,1,0]=4 4115 B6R1.6 ClCC1CCC1 MCULE-2464596839 [0,1,0,1,0,0|2,0,0]=4 4116 B6R1.6 ClCC1CCO1 MCULE-3809712491 [0,1,0,1,0,0|1,0,0]=3 4117 B6R1.6 ClCC1CNC1 MCULE-2451543932 [0,1,0,1,0,0|2,0,0]=4 4118 B6R1.6 ClCC1CNC1 MCULE-9626195989 [0,1,0,1,0,0|2,0,0]=4 4119 B6R1.6 ClCC1COC1 MCULE-1144637548 [0,1,0,1,0,0|1,0,0]=3 4120 B6R1.6 FCC1CCN1 MCULE-1368993155 [0,1,0,1,0,0|2,0,0]=4 4121 B6R1.6 FCC1CCN1 MCULE-8515014805 [0,1,0,1,0,0|2,0,0]=4 4122 B6R1.6 FCC1CCN1 MCULE-9723993015 [0,1,0,1,0,0|2,0,0]=4 4123 B6R1.6 FCC1CNC1 MCULE-4813599184 [0,1,0,1,0,0|2,0,0]=4 4124 B6R1.6 FCC1CNC1 MCULE-5694626686 [0,1,0,1,0,0|2,0,0]=4 4125 B6R1.6 FC[C@@H]1CCN1 MCULE-3863169127 [0,1,0,1,0,0|2,0,0]=4 4126 B6R1.6 FC[C@@H]1CCN1 MCULE-6069828502 [0,1,0,1,0,0|2,0,0]=4 4127 B6R1.6 FC[C@@H]1CCN1 MCULE-7267455157 [0,1,0,1,0,0|2,0,0]=4 4128 B6R1.6 FC[C@@H]1CCN1 MCULE-8157561423 [0,1,0,1,0,0|2,0,0]=4 4129 B6R1.6 FC[C@H]1CCN1 MCULE-3092369600 [0,1,0,1,0,0|2,0,0]=4 4130 B6R1.6 FC[C@H]1CCN1 MCULE-6708783004 [0,1,0,1,0,0|2,0,0]=4 4131 B6R1.6 ICC1CCC1 MCULE-7767711699 [0,1,0,1,0,0|2,0,0]=4 4132 B6R1.6 ICC1CCO1 MCULE-4132798336 [0,1,0,1,0,0|1,0,0]=3 4133 B6R1.6 ICC1COC1 MCULE-6325029437 [0,1,0,1,0,0|1,0,0]=3 4134 B6R1.6 N#CC1CCC1 MCULE-3335810526 [0,1,0,1,0,0|2,0,0]=4 4135 B6R1.6 N#CC1CNC1 MCULE-2385981463 [0,1,0,1,0,0|2,0,0]=4 4136 B6R1.6 N#CC1CNC1 MCULE-6516721657 [0,1,0,1,0,0|2,0,0]=4 4137 B6R1.6 N#CC1COC1 MCULE-8173442458 [0,1,0,1,0,0|1,0,0]=3 4138 B6R1.6 N#CC1CSC1 MCULE-8903032109 [0,1,0,1,0,0|1,1,0]=4 4139 B6R1.6 NCC1CCC1 MCULE-4977602211 [0,1,0,1,0,0|2,0,0]=4 4140 B6R1.6 NCC1CCC1 MCULE-8434128112 [0,1,0,1,0,0|2,0,0]=4 4141 B6R1.6 NCC1CCN1 MCULE-4988917629 [0,1,0,1,0,0|2,0,0]=4 4142 B6R1.6 NCC1CCN1 MCULE-5495577627 [0,1,0,1,0,0|2,0,0]=4 4143 B6R1.6 NCC1CCN1 MCULE-7749596260 [0,1,0,1,0,0|2,0,0]=4 4144 B6R1.6 NCC1CCO1 MCULE-4478591600 [0,1,0,1,0,0|1,0,0]=3 4145 B6R1.6 NCC1CCS1 MCULE-4026106833 [0,1,0,1,0,0|1,1,0]=4 4146 B6R1.6 NCC1CCS1 MCULE-5342015412 [0,1,0,1,0,0|1,1,0]=4 4147 B6R1.6 NCC1CNC1 MCULE-7601725567 [0,1,0,1,0,0|2,0,0]=4 4148 B6R1.6 NCC1CNC1 MCULE-7948891652 [0,1,0,1,0,0|2,0,0]=4 4149 B6R1.6 NCC1COC1 MCULE-4685637013 [0,1,0,1,0,0|1,0,0]=3 4150 B6R1.6 NCC1COC1 MCULE-6896653344 [0,1,0,1,0,0|1,0,0]=3 4151 B6R1.6 NCC1CSC1 MCULE-2317140221 [0,1,0,1,0,0|1,1,0]=4 4152 B6R1.6 NCC1CSC1 MCULE-2885312159 [0,1,0,1,0,0|1,1,0]=4 4153 B6R1.6 NC[C@@H]1CCO1 MCULE-2375359339 [0,1,0,1,0,0|1,0,0]=3 4154 B6R1.6 NC[C@@H]1CCO1 MCULE-4004256578 [0,1,0,1,0,0|1,0,0]=3 4155 B6R1.6 NC[C@H]1CCN1 MCULE-2270552795 [0,1,0,1,0,0|2,0,0]=4 4156 B6R1.6 NC[C@H]1CCN1 MCULE-2882990554 [0,1,0,1,0,0|2,0,0]=4 4157 B6R1.6 NC[C@H]1CCO1 MCULE-2811111103 [0,1,0,1,0,0|1,0,0]=3 4158 B6R1.6 NC[C@H]1CCO1 MCULE-4329808216 [0,1,0,1,0,0|1,0,0]=3 4159 B6R1.6 NC[C@H]1CCO1 MCULE-9974781002 [0,1,0,1,0,0|1,0,0]=3 4160 B6R1.6 NNC1CCC1 MCULE-2058855063 [0,1,0,1,0,0|2,0,0]=4 4161 B6R1.6 NNC1CCC1 MCULE-2355527907 [0,1,0,1,0,0|2,0,0]=4 4162 B6R1.6 NNC1CCC1 MCULE-7674249555 [0,1,0,1,0,0|2,0,0]=4 4163 B6R1.6 NNC1CNC1 MCULE-1383746939 [0,1,0,1,0,0|2,0,0]=4 4164 B6R1.6 NNC1CNC1 MCULE-8167393861 [0,1,0,1,0,0|2,0,0]=4 4165 B6R1.6 NNC1COC1 MCULE-2986078946 [0,1,0,1,0,0|1,0,0]=3 4166 B6R1.6 NNC1COC1 MCULE-4662390820 [0,1,0,1,0,0|1,0,0]=3 4167 B6R1.6 NNC1COC1 MCULE-7804737341 [0,1,0,1,0,0|1,0,0]=3 4168 B6R1.6 NNC1CSC1 MCULE-2341298971 [0,1,0,1,0,0|1,1,0]=4 4169 B6R1.6 NNC1CSC1 MCULE-6513117263 [0,1,0,1,0,0|1,1,0]=4 4170 B6R1.6 NNC1CSC1 MCULE-9957779440 [0,1,0,1,0,0|1,1,0]=4 4171 B6R1.6 NOC1CCC1 MCULE-2140396646 [0,1,0,1,0,0|1,0,0]=3 4172 B6R1.6 NOC1CCC1 MCULE-9347173321 [0,1,0,1,0,0|1,0,0]=3 4173 B6R1.6 NOC1COC1 MCULE-1949996102 [0,1,0,1,0,0|0,0,0]=2 4174 B6R1.6 O=CC1CCC1 MCULE-8678026416 [0,1,0,1,0,0|1,0,1]=4 4175 B6R1.6 O=CC1COC1 MCULE-3773699476 [0,1,0,1,0,0|0,0,1]=3 4176 B6R1.6 O=CC1CSC1 MCULE-2648443908 [0,1,0,1,0,0|0,1,1]=4 4177 B6R1.6 OCC1CCC1 MCULE-3046613150 [0,1,0,1,0,0|1,0,0]=3 4178 B6R1.6 OCC1CCN1 MCULE-1812443062 [0,1,0,1,0,0|1,0,0]=3 4179 B6R1.6 OCC1CCN1 MCULE-8390631765 [0,1,0,1,0,0|1,0,0]=3 4180 B6R1.6 OCC1CCO1 MCULE-7120761203 [0,1,0,1,0,0|0,0,0]=2 4181 B6R1.6 OCC1CCO1 MCULE-7517577386 [0,1,0,1,0,0|0,0,0]=2 4182 B6R1.6 OCC1CNC1 MCULE-1537874886 [0,1,0,1,0,0|1,0,0]=3 4183 B6R1.6 OCC1CNC1 MCULE-8316085177 [0,1,0,1,0,0|1,0,0]=3 4184 B6R1.6 OCC1COC1 MCULE-5031415478 [0,1,0,1,0,0|0,0,0]=2 4185 B6R1.6 OCC1CSC1 MCULE-9388221183 [0,1,0,1,0,0|0,1,0]=3 4186 B6R1.6 OC[C@@H]1CCN1 MCULE-5565957906 [0,1,0,1,0,0|1,0,0]=3 4187 B6R1.6 OC[C@@H]1CCN1 MCULE-7064010066 [0,1,0,1,0,0|1,0,0]=3 4188 B6R1.6 OC[C@@H]1CCN1 MCULE-7539121327 [0,1,0,1,0,0|1,0,0]=3 4189 B6R1.6 OC[C@@H]1CCN1 MCULE-9740096939 [0,1,0,1,0,0|1,0,0]=3 4190 B6R1.6 OC[C@@H]1CCO1 MCULE-7613449097 [0,1,0,1,0,0|0,0,0]=2 4191 B6R1.6 OC[C@@H]1CCO1 MCULE-9444003682 [0,1,0,1,0,0|0,0,0]=2 4192 B6R1.6 OC[C@H]1CCN1 MCULE-5733363493 [0,1,0,1,0,0|1,0,0]=3 4193 B6R1.6 OC[C@H]1CCN1 MCULE-8466413816 [0,1,0,1,0,0|1,0,0]=3 4194 B6R1.6 OC[C@H]1CCO1 MCULE-1446169257 [0,1,0,1,0,0|0,0,0]=2 4195 B6R1.6 OC[C@H]1CCO1 MCULE-2929052431 [0,1,0,1,0,0|0,0,0]=2 4196 B6R1.6 ON=C1CCC1 MCULE-4777625640 [0,1,0,1,0,0|1,0,1]=4 4197 B6R1.6 SCC1CCC1 MCULE-4083757063 [0,1,0,1,0,0|1,1,0]=4 4198 B6R1.6 SCC1COC1 MCULE-7193197469 [0,1,0,1,0,0|0,1,0]=3 4199 B6R1.7 BrCC1(CC1)Br MCULE-3664717874 [0,1,0,1,0,0|2,0,0]=4 4200 B6R1.7 C=CC1(CO1)C MCULE-2507036726 [0,1,0,1,0,0|1,0,1]=4 4201 B6R1.7 CC1(CC1)CBr MCULE-7638105894 [0,1,0,1,0,0|2,0,0]=4 4202 B6R1.7 CC1(CC1)CCl MCULE-5653369516 [0,1,0,1,0,0|2,0,0]=4 4203 B6R1.7 CC1(CC1)CN MCULE-2933267296 [0,1,0,1,0,0|2,0,0]=4 4204 B6R1.7 CC1(CC1)CN MCULE-6561269012 [0,1,0,1,0,0|2,0,0]=4 4205 B6R1.7 CC1(CC1)CO MCULE-9292264802 [0,1,0,1,0,0|1,0,0]=3 4206 B6R1.7 CC1(CO1)CBr MCULE-5372688659 [0,1,0,1,0,0|1,0,0]=3 4207 B6R1.7 CC1(CO1)CCl MCULE-8847094307 [0,1,0,1,0,0|1,0,0]=3 4208 B6R1.7 CC1(CO1)CO MCULE-1000912721 [0,1,0,1,0,0|0,0,0]=2 4209 B6R1.7 CC1(N=N1)CO MCULE-3111044066 [0,1,0,1,0,0|2,0,0]=4 4210 B6R1.7 CCC1(CC1)N MCULE-3440893089 [0,1,0,1,0,0|2,0,0]=4 4211 B6R1.7 CCC1(CC1)N MCULE-8936334501 [0,1,0,1,0,0|2,0,0]=4 4212 B6R1.7 CCC1(CC1)O MCULE-7491011687 [0,1,0,1,0,0|2,0,0]=4 4213 B6R1.7 CCC1(CO1)C MCULE-5308881519 [0,1,0,1,0,0|1,0,0]=3 4214 B6R1.7 CNC1(CC1)C MCULE-5271625822 [0,1,0,1,0,0|2,0,0]=4 4215 B6R1.7 CNC1(CC1)C MCULE-9473196269 [0,1,0,1,0,0|2,0,0]=4 4216 B6R1.7 C[C@@]1(CO1)CO MCULE-2087028484 [0,1,0,1,0,0|0,0,0]=2 4217 B6R1.7 C[C@@]1(CO1)CO MCULE-6244999634 [0,1,0,1,0,0|0,0,0]=2 4218 B6R1.7 C[C@]1(CO1)CO MCULE-1098652766 [0,1,0,1,0,0|0,0,0]=2 4219 B6R1.7 C[C@]1(CO1)CO MCULE-9811443530 [0,1,0,1,0,0|0,0,0]=2 4220 B6R1.7 ClC1(CC1)CBr MCULE-5738182750 [0,1,0,1,0,0|2,0,0]=4 4221 B6R1.7 ClCC1(CC1)Br MCULE-5375999277 [0,1,0,1,0,0|2,0,0]=4 4222 B6R1.7 FC1(CC1)CBr MCULE-9308548759 [0,1,0,1,0,0|2,0,0]=4 4223 B6R1.7 NC1(CC1)CF MCULE-3560419554 [0,1,0,1,0,0|2,0,0]=4 4224 B6R1.7 NC1(CC1)CF MCULE-5037711402 [0,1,0,1,0,0|2,0,0]=4 4225 B6R1.7 NC1(CC1)CO MCULE-5890036745 [0,1,0,1,0,0|1,0,0]=3 4226 B6R1.7 NC1(CC1)CO MCULE-6476116416 [0,1,0,1,0,0|1,0,0]=3 4227 B6R1.7 NCC1(CC1)Br MCULE-7318489845 [0,1,0,1,0,0|2,0,0]=4 4228 B6R1.7 NCC1(CC1)F MCULE-6736176817 [0,1,0,1,0,0|2,0,0]=4 4229 B6R1.7 NCC1(CC1)F MCULE-7735967320 [0,1,0,1,0,0|2,0,0]=4 4230 B6R1.7 NCC1(CC1)N MCULE-4980820376 [0,1,0,1,0,0|2,0,0]=4 4231 B6R1.7 NCC1(CC1)N MCULE-7033999881 [0,1,0,1,0,0|2,0,0]=4 4232 B6R1.7 NCC1(CC1)O MCULE-7633241990 [0,1,0,1,0,0|2,0,0]=4 4233 B6R1.7 NCC1(CC1)O MCULE-8264909288 [0,1,0,1,0,0|2,0,0]=4 4234 B6R1.7 OCC1(CC1)Br MCULE-2797548638 [0,1,0,1,0,0|1,0,0]=3 4235 B6R1.7 OCC1(CC1)Cl MCULE-4350532922 [0,1,0,1,0,0|1,0,0]=3 4236 B6R1.7 OCC1(CC1)F MCULE-9539268105 [0,1,0,1,0,0|1,0,0]=3 4237 B6R1.7 OCC1(CC1)O MCULE-7768871656 [0,1,0,1,0,0|1,0,0]=3 4238 B6R2.4 C1CC2C1O2 MCULE-9211083149 [0,0,0,2,0,0|1,0,0]=3 4239 B6R2.1 C1CC12CC2 MCULE-7180602672 [0,0,0,2,0,0|2,0,0]=4