0 B4R0.2 BrC#CCBr MCULE-2798351684 [0,0,0,0,0,0|4,0,0]=4 1 B4R0.2 BrC=CCBr MCULE-1480697982 [0,0,0,0,0,0|4,0,0]=4 2 B4R0.2 BrCCCBr MCULE-6500110480 [0,0,0,0,0,0|4,0,0]=4 3 B4R0.2 BrCCCI MCULE-6470610840 [0,0,0,0,0,0|4,0,0]=4 4 B4R0.2 BrCOCBr MCULE-2371209322 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.2 C#CC=CC MCULE-9741359131 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.2 C#CCCBr MCULE-1495603480 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.2 C#CCCC MCULE-1233806896 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.2 C#CCCCl MCULE-5602517887 [0,0,0,0,0,0|4,0,0]=4 9 B4R0.2 C#CCCI MCULE-2832310719 [0,0,0,0,0,0|4,0,0]=4 10 B4R0.2 C#CCCN MCULE-1223656854 [0,0,0,0,0,0|4,0,0]=4 11 B4R0.2 C#CCCN MCULE-6408469965 [0,0,0,0,0,0|4,0,0]=4 12 B4R0.2 C#CCCO MCULE-1797559276 [0,0,0,0,0,0|4,0,0]=4 13 B4R0.2 C#CCCO MCULE-8743964065 [0,0,0,0,0,0|4,0,0]=4 14 B4R0.2 C#CCNC MCULE-9758975590 [0,0,0,0,0,0|4,0,0]=4 15 B4R0.2 C#CCOC MCULE-9172422462 [0,0,0,0,0,0|4,0,0]=4 16 B4R0.2 C#CCSC MCULE-6808040899 [0,0,0,0,0,0|4,0,0]=4 17 B4R0.2 C#COCC MCULE-1522528824 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.2 C/C=C/C#N MCULE-2754343103 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.2 C/C=C/C=O MCULE-9924705308 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.2 C/C=C/CCl MCULE-9977493525 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.2 C/C=C/CO MCULE-2383161163 [0,0,0,0,0,0|2,0,2]=4 22 B4R0.2 C/C=C/OC MCULE-3906920304 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.2 C/C=C\CO MCULE-5924662327 [0,0,0,0,0,0|2,0,2]=4 24 B4R0.2 C=C=CCC MCULE-6123315571 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.2 C=C=CCN MCULE-5700871644 [0,0,0,0,0,0|4,0,0]=4 26 B4R0.2 C=C=CCN MCULE-9120483529 [0,0,0,0,0,0|4,0,0]=4 27 B4R0.2 C=C=CCO MCULE-5424851896 [0,0,0,0,0,0|4,0,0]=4 28 B4R0.2 C=CC=CC MCULE-4452516287 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.2 C=CCCBr MCULE-2890129103 [0,0,0,0,0,0|4,0,0]=4 30 B4R0.2 C=CCCC MCULE-8386546337 [0,0,0,0,0,0|3,0,0]=3 31 B4R0.2 C=CCCCl MCULE-5903789900 [0,0,0,0,0,0|4,0,0]=4 32 B4R0.2 C=CCCI MCULE-1055671394 [0,0,0,0,0,0|4,0,0]=4 33 B4R0.2 C=CCCN MCULE-2471716627 [0,0,0,0,0,0|4,0,0]=4 34 B4R0.2 C=CCCN MCULE-2881108697 [0,0,0,0,0,0|4,0,0]=4 35 B4R0.2 C=CCCO MCULE-4582400839 [0,0,0,0,0,0|4,0,0]=4 36 B4R0.2 C=CCNC MCULE-3335720336 [0,0,0,0,0,0|4,0,0]=4 37 B4R0.2 C=CCOC MCULE-3321225771 [0,0,0,0,0,0|4,0,0]=4 38 B4R0.2 C=CCSC MCULE-4452023915 [0,0,0,0,0,0|4,0,0]=4 39 B4R0.2 C=CNC=O MCULE-8403928899 [0,0,0,0,0,0|2,0,2]=4 40 B4R0.2 C=COCC MCULE-2569047033 [0,0,0,0,0,0|2,0,0]=2 41 B4R0.2 C=CSCC MCULE-8927374165 [0,0,0,0,0,0|2,1,0]=3 42 B4R0.2 C=NCC#N MCULE-3686954074 [0,0,0,0,0,0|3,0,1]=4 43 B4R0.2 CC#CC=O MCULE-9270622693 [0,0,0,0,0,0|2,0,1]=3 44 B4R0.2 CC#CCBr MCULE-3596191560 [0,0,0,0,0,0|3,0,1]=4 45 B4R0.2 CC#CCC MCULE-8848779220 [0,0,0,0,0,0|3,0,0]=3 46 B4R0.2 CC#CCI MCULE-3596701582 [0,0,0,0,0,0|3,0,1]=4 47 B4R0.2 CC#CCN MCULE-7027146471 [0,0,0,0,0,0|3,0,1]=4 48 B4R0.2 CC#CCN MCULE-9570644542 [0,0,0,0,0,0|3,0,1]=4 49 B4R0.2 CC#CCO MCULE-5096552076 [0,0,0,0,0,0|2,0,2]=4 50 B4R0.2 CC=CC#N MCULE-5062019142 [0,0,0,0,0,0|3,0,1]=4 51 B4R0.2 CC=CC=O MCULE-2497362981 [0,0,0,0,0,0|2,0,1]=3 52 B4R0.2 CC=CCBr MCULE-7855581866 [0,0,0,0,0,0|3,0,1]=4 53 B4R0.2 CC=CCC MCULE-5931905453 [0,0,0,0,0,0|3,0,0]=3 54 B4R0.2 CC=CCCl MCULE-3941962217 [0,0,0,0,0,0|3,0,1]=4 55 B4R0.2 CC=CCO MCULE-7490725844 [0,0,0,0,0,0|2,0,2]=4 56 B4R0.2 CC=COC MCULE-6712403535 [0,0,0,0,0,0|3,0,1]=4 57 B4R0.2 CC=CSC MCULE-5921906156 [0,0,0,0,0,0|3,0,1]=4 58 B4R0.2 CCC#CI MCULE-6466997582 [0,0,0,0,0,0|3,0,0]=3 59 B4R0.2 CCC=CBr MCULE-4471551501 [0,0,0,0,0,0|3,0,0]=3 60 B4R0.2 CCC=NO MCULE-9457280654 [0,0,0,0,0,0|1,0,1]=2 61 B4R0.2 CCCC#N MCULE-8571076087 [0,0,0,0,0,0|3,0,0]=3 62 B4R0.2 CCCC=O MCULE-8530391347 [0,0,0,0,0,0|2,0,0]=2 63 B4R0.2 CCCCBr MCULE-3390217131 [0,0,0,0,0,0|3,0,0]=3 64 B4R0.2 CCCCC MCULE-4643148765 [0,0,0,0,0,0|3,0,0]=3 65 B4R0.2 CCCCCl MCULE-5329900290 [0,0,0,0,0,0|3,0,0]=3 66 B4R0.2 CCCCF MCULE-7225760858 [0,0,0,0,0,0|3,0,0]=3 67 B4R0.2 CCCCI MCULE-1160974720 [0,0,0,0,0,0|3,0,0]=3 68 B4R0.2 CCCCN MCULE-1731874934 [0,0,0,0,0,0|3,0,0]=3 69 B4R0.2 CCCCN MCULE-4233278050 [0,0,0,0,0,0|3,0,0]=3 70 B4R0.2 CCCCN MCULE-5242069370 [0,0,0,0,0,0|3,0,0]=3 71 B4R0.2 CCCCN MCULE-7343835253 [0,0,0,0,0,0|3,0,0]=3 72 B4R0.2 CCCCO MCULE-1571156443 [0,0,0,0,0,0|2,0,1]=3 73 B4R0.2 CCCCS MCULE-9441213933 [0,0,0,0,0,0|2,1,0]=3 74 B4R0.2 CCCNC MCULE-2266616259 [0,0,0,0,0,0|2,0,1]=3 75 B4R0.2 CCCNC MCULE-7722796872 [0,0,0,0,0,0|2,0,1]=3 76 B4R0.2 CCCNN MCULE-4121438775 [0,0,0,0,0,0|2,0,1]=3 77 B4R0.2 CCCNN MCULE-5875592228 [0,0,0,0,0,0|2,0,1]=3 78 B4R0.2 CCCNN MCULE-9585694661 [0,0,0,0,0,0|2,0,1]=3 79 B4R0.2 CCCOC MCULE-5854067718 [0,0,0,0,0,0|3,0,0]=3 80 B4R0.2 CCCON MCULE-4800172637 [0,0,0,0,0,0|3,0,0]=3 81 B4R0.2 CCCON MCULE-7988781002 [0,0,0,0,0,0|3,0,0]=3 82 B4R0.2 CCCSC MCULE-8387041737 [0,0,0,0,0,0|3,0,0]=3 83 B4R0.2 CCN=C=O MCULE-6522145601 [0,0,0,0,0,0|2,0,0]=2 84 B4R0.2 CCN=C=S MCULE-9838756606 [0,0,0,0,0,0|2,1,0]=3 85 B4R0.2 CCNC=O MCULE-9309926274 [0,0,0,0,0,0|2,0,0]=2 86 B4R0.2 CCNCC MCULE-3395060353 [0,0,0,0,0,0|3,0,0]=3 87 B4R0.2 CCNCC MCULE-4374609736 [0,0,0,0,0,0|3,0,0]=3 88 B4R0.2 CCNCC MCULE-4555901025 [0,0,0,0,0,0|3,0,0]=3 89 B4R0.2 CCNCC MCULE-6895602113 [0,0,0,0,0,0|3,0,0]=3 90 B4R0.2 CCNOC MCULE-4797714235 [0,0,0,0,0,0|3,0,0]=3 91 B4R0.2 CCNOC MCULE-6486167423 [0,0,0,0,0,0|3,0,0]=3 92 B4R0.2 CCOC=N MCULE-5321655909 [0,0,0,0,0,0|2,0,0]=2 93 B4R0.2 CCOC=N MCULE-8158357614 [0,0,0,0,0,0|2,0,0]=2 94 B4R0.2 CCOC=O MCULE-6245072161 [0,0,0,0,0,0|1,0,0]=1 95 B4R0.2 CCOCBr MCULE-6644755987 [0,0,0,0,0,0|2,0,0]=2 96 B4R0.2 CCOCC MCULE-5665709021 [0,0,0,0,0,0|2,0,0]=2 97 B4R0.2 CCOCCl MCULE-5087992840 [0,0,0,0,0,0|2,0,0]=2 98 B4R0.2 CCONC MCULE-5446312516 [0,0,0,0,0,0|1,0,1]=2 99 B4R0.2 CCONC MCULE-7976027802 [0,0,0,0,0,0|1,0,1]=2 100 B4R0.2 CCSC#N MCULE-1270730084 [0,0,0,0,0,0|2,1,0]=3 101 B4R0.2 CCSCC MCULE-6480710239 [0,0,0,0,0,0|2,1,0]=3 102 B4R0.2 CCSCCl MCULE-3890542152 [0,0,0,0,0,0|2,1,0]=3 103 B4R0.2 CCSSC MCULE-9430585714 [0,0,0,0,0,0|2,1,0]=3 104 B4R0.2 CC[NH2+]CC MCULE-9899430356 [0,0,0,0,0,0|3,0,0]=3 105 B4R0.2 CNCC#N MCULE-1233170363 [0,0,0,0,0,0|4,0,0]=4 106 B4R0.2 CNCC#N MCULE-4334159739 [0,0,0,0,0,0|4,0,0]=4 107 B4R0.2 CNCC#N MCULE-8267124503 [0,0,0,0,0,0|4,0,0]=4 108 B4R0.2 CNCCBr MCULE-3708780806 [0,0,0,0,0,0|3,0,1]=4 109 B4R0.2 CNCCBr MCULE-6840755559 [0,0,0,0,0,0|3,0,1]=4 110 B4R0.2 CNCCCl MCULE-1666345560 [0,0,0,0,0,0|3,0,1]=4 111 B4R0.2 CNCCCl MCULE-8215813413 [0,0,0,0,0,0|3,0,1]=4 112 B4R0.2 CNCCF MCULE-3719880423 [0,0,0,0,0,0|3,0,1]=4 113 B4R0.2 CNCCF MCULE-3751701745 [0,0,0,0,0,0|3,0,1]=4 114 B4R0.2 CNCCI MCULE-7026781832 [0,0,0,0,0,0|3,0,1]=4 115 B4R0.2 CNCCI MCULE-8892686580 [0,0,0,0,0,0|3,0,1]=4 116 B4R0.2 CNCCN MCULE-2881688448 [0,0,0,0,0,0|3,0,1]=4 117 B4R0.2 CNCCN MCULE-7199403269 [0,0,0,0,0,0|3,0,1]=4 118 B4R0.2 CNCCO MCULE-7051900771 [0,0,0,0,0,0|3,0,1]=4 119 B4R0.2 CNCCO MCULE-7934732981 [0,0,0,0,0,0|3,0,1]=4 120 B4R0.2 CNCCS MCULE-6430516369 [0,0,0,0,0,0|3,0,1]=4 121 B4R0.2 COCC#N MCULE-9178522865 [0,0,0,0,0,0|4,0,0]=4 122 B4R0.2 COCC=O MCULE-9427361019 [0,0,0,0,0,0|3,0,0]=3 123 B4R0.2 COCCBr MCULE-8316331262 [0,0,0,0,0,0|4,0,0]=4 124 B4R0.2 COCCCl MCULE-8886627413 [0,0,0,0,0,0|4,0,0]=4 125 B4R0.2 COCCI MCULE-9391124374 [0,0,0,0,0,0|4,0,0]=4 126 B4R0.2 COCCN MCULE-5051556646 [0,0,0,0,0,0|4,0,0]=4 127 B4R0.2 COCCN MCULE-7519068386 [0,0,0,0,0,0|4,0,0]=4 128 B4R0.2 COCCO MCULE-4751927883 [0,0,0,0,0,0|3,0,1]=4 129 B4R0.2 COCCS MCULE-7803276094 [0,0,0,0,0,0|3,1,0]=4 130 B4R0.2 COCOC MCULE-8559076702 [0,0,0,0,0,0|4,0,0]=4 131 B4R0.2 COCON MCULE-6032854331 [0,0,0,0,0,0|4,0,0]=4 132 B4R0.2 CSCC#N MCULE-3607261611 [0,0,0,0,0,0|4,0,0]=4 133 B4R0.2 CSCCBr MCULE-1684461541 [0,0,0,0,0,0|4,0,0]=4 134 B4R0.2 CSCCCl MCULE-8593103756 [0,0,0,0,0,0|4,0,0]=4 135 B4R0.2 CSCCN MCULE-5168245255 [0,0,0,0,0,0|4,0,0]=4 136 B4R0.2 CSCCN MCULE-6275285732 [0,0,0,0,0,0|4,0,0]=4 137 B4R0.2 CSCCO MCULE-9706874325 [0,0,0,0,0,0|3,0,1]=4 138 B4R0.2 CSCSC MCULE-5603964020 [0,0,0,0,0,0|4,0,0]=4 139 B4R0.2 CSSSC MCULE-4175573612 [0,0,0,0,0,0|3,1,0]=4 140 B4R0.2 Cl/C=C/CCl MCULE-4516188972 [0,0,0,0,0,0|4,0,0]=4 141 B4R0.2 ClC/C=C/Br MCULE-1061414929 [0,0,0,0,0,0|4,0,0]=4 142 B4R0.2 ClC=CCCl MCULE-4655672652 [0,0,0,0,0,0|4,0,0]=4 143 B4R0.2 ClCCCBr MCULE-7937580875 [0,0,0,0,0,0|4,0,0]=4 144 B4R0.2 ClCCCCl MCULE-6693270397 [0,0,0,0,0,0|4,0,0]=4 145 B4R0.2 ClCCCI MCULE-1521526833 [0,0,0,0,0,0|4,0,0]=4 146 B4R0.2 ClCSCCl MCULE-5228778525 [0,0,0,0,0,0|3,1,0]=4 147 B4R0.2 FCCCBr MCULE-5674735753 [0,0,0,0,0,0|4,0,0]=4 148 B4R0.2 FCCCF MCULE-1803511350 [0,0,0,0,0,0|4,0,0]=4 149 B4R0.2 FCCCI MCULE-9287814857 [0,0,0,0,0,0|4,0,0]=4 150 B4R0.2 ICCCI MCULE-9849754168 [0,0,0,0,0,0|4,0,0]=4 151 B4R0.2 ICOCI MCULE-4901830231 [0,0,0,0,0,0|3,0,0]=3 152 B4R0.2 N#CCCBr MCULE-1744180602 [0,0,0,0,0,0|4,0,0]=4 153 B4R0.2 N#CCCCl MCULE-3511379481 [0,0,0,0,0,0|4,0,0]=4 154 B4R0.2 N#CCCI MCULE-1591942951 [0,0,0,0,0,0|4,0,0]=4 155 B4R0.2 N#CCCN MCULE-8482296338 [0,0,0,0,0,0|4,0,0]=4 156 B4R0.2 N#CCCN MCULE-9518086954 [0,0,0,0,0,0|4,0,0]=4 157 B4R0.2 N#CCCO MCULE-5098987368 [0,0,0,0,0,0|4,0,0]=4 158 B4R0.2 N#CCCS MCULE-7199964466 [0,0,0,0,0,0|4,0,0]=4 159 B4R0.2 N#CSCBr MCULE-8731078262 [0,0,0,0,0,0|3,1,0]=4 160 B4R0.2 N#CSCCl MCULE-2916227294 [0,0,0,0,0,0|3,1,0]=4 161 B4R0.2 N/C=C/C=O MCULE-2444951625 [0,0,0,0,0,0|3,0,1]=4 162 B4R0.2 NC=CC=O MCULE-4070918342 [0,0,0,0,0,0|3,0,1]=4 163 B4R0.2 NCCCBr MCULE-5485748003 [0,0,0,0,0,0|4,0,0]=4 164 B4R0.2 NCCCBr MCULE-7072709972 [0,0,0,0,0,0|4,0,0]=4 165 B4R0.2 NCCCCl MCULE-1324157004 [0,0,0,0,0,0|4,0,0]=4 166 B4R0.2 NCCCCl MCULE-3667248190 [0,0,0,0,0,0|4,0,0]=4 167 B4R0.2 NCCCF MCULE-5215746973 [0,0,0,0,0,0|4,0,0]=4 168 B4R0.2 NCCCF MCULE-8077133369 [0,0,0,0,0,0|4,0,0]=4 169 B4R0.2 NCCCI MCULE-3534892097 [0,0,0,0,0,0|4,0,0]=4 170 B4R0.2 NCCCI MCULE-8010453546 [0,0,0,0,0,0|4,0,0]=4 171 B4R0.2 NCCCN MCULE-4293255820 [0,0,0,0,0,0|4,0,0]=4 172 B4R0.2 NCCCN MCULE-5041378433 [0,0,0,0,0,0|4,0,0]=4 173 B4R0.2 NCCCN MCULE-6944452060 [0,0,0,0,0,0|4,0,0]=4 174 B4R0.2 NCCCN MCULE-7375662153 [0,0,0,0,0,0|4,0,0]=4 175 B4R0.2 NCCCN MCULE-8277465929 [0,0,0,0,0,0|4,0,0]=4 176 B4R0.2 NCCCN MCULE-9929373126 [0,0,0,0,0,0|4,0,0]=4 177 B4R0.2 NCCCO MCULE-2851278356 [0,0,0,0,0,0|3,0,1]=4 178 B4R0.2 NCCCO MCULE-9698089092 [0,0,0,0,0,0|3,0,1]=4 179 B4R0.2 NCCCS MCULE-3994478020 [0,0,0,0,0,0|3,1,0]=4 180 B4R0.2 NCCCS MCULE-7730973866 [0,0,0,0,0,0|3,1,0]=4 181 B4R0.2 NCCON MCULE-3613980902 [0,0,0,0,0,0|4,0,0]=4 182 B4R0.2 NCCON MCULE-7030217952 [0,0,0,0,0,0|4,0,0]=4 183 B4R0.2 NCCON MCULE-8959912781 [0,0,0,0,0,0|4,0,0]=4 184 B4R0.2 NNCCF MCULE-2712460031 [0,0,0,0,0,0|3,0,1]=4 185 B4R0.2 NNCCF MCULE-8505927457 [0,0,0,0,0,0|3,0,1]=4 186 B4R0.2 NNCCO MCULE-1290652744 [0,0,0,0,0,0|3,0,1]=4 187 B4R0.2 NOCCBr MCULE-2796346082 [0,0,0,0,0,0|4,0,0]=4 188 B4R0.2 NOCCBr MCULE-5636354898 [0,0,0,0,0,0|4,0,0]=4 189 B4R0.2 NOCCCl MCULE-5981688956 [0,0,0,0,0,0|4,0,0]=4 190 B4R0.2 NOCCF MCULE-1813481600 [0,0,0,0,0,0|4,0,0]=4 191 B4R0.2 NOCCF MCULE-2993254805 [0,0,0,0,0,0|4,0,0]=4 192 B4R0.2 NOCCO MCULE-2545004367 [0,0,0,0,0,0|4,0,0]=4 193 B4R0.2 O=BOB=O MCULE-4560541361 [0,0,0,0,0,0|3,0,0]=3 194 B4R0.2 O=C=NCCl MCULE-7751104052 [0,0,0,0,0,0|3,0,0]=3 195 B4R0.2 O=CCCBr MCULE-4107157458 [0,0,0,0,0,0|3,0,0]=3 196 B4R0.2 O=CCCCl MCULE-5863929313 [0,0,0,0,0,0|3,0,0]=3 197 B4R0.2 O=CCCI MCULE-9771140462 [0,0,0,0,0,0|3,0,0]=3 198 B4R0.2 O=CCCO MCULE-1685289763 [0,0,0,0,0,0|3,0,0]=3 199 B4R0.2 O=CNC=O MCULE-3098379420 [0,0,0,0,0,0|3,0,1]=4 200 B4R0.2 O=COC=O MCULE-6311384332 [0,0,0,0,0,0|2,0,1]=3 201 B4R0.2 O=C[N-]C=O MCULE-4923470284 [0,0,0,0,0,0|3,0,1]=4 202 B4R0.2 O=[As]O[As]=O MCULE-6104708983 [0,0,0,0,0,0|2,1,0]=3 203 B4R0.2 OC=CCCl MCULE-4750991393 [0,0,0,0,0,0|3,0,1]=4 204 B4R0.2 OCC#CBr MCULE-2495653455 [0,0,0,0,0,0|4,0,0]=4 205 B4R0.2 OCC#CI MCULE-1101149708 [0,0,0,0,0,0|4,0,0]=4 206 B4R0.2 OCC=CBr MCULE-4636104289 [0,0,0,0,0,0|4,0,0]=4 207 B4R0.2 OCC=CCl MCULE-2110127594 [0,0,0,0,0,0|4,0,0]=4 208 B4R0.2 OCCCBr MCULE-3450011527 [0,0,0,0,0,0|3,0,1]=4 209 B4R0.2 OCCCCl MCULE-2319230957 [0,0,0,0,0,0|3,0,1]=4 210 B4R0.2 OCCCF MCULE-2347934403 [0,0,0,0,0,0|3,0,1]=4 211 B4R0.2 OCCCI MCULE-5200713967 [0,0,0,0,0,0|3,0,1]=4 212 B4R0.2 OCCCO MCULE-5166824786 [0,0,0,0,0,0|3,0,1]=4 213 B4R0.2 OCCCS MCULE-7930164048 [0,0,0,0,0,0|3,0,1]=4 214 B4R0.2 ON=CCCl MCULE-5736695742 [0,0,0,0,0,0|2,0,1]=3 215 B4R0.2 PCCCP MCULE-6048146071 [0,0,0,0,0,0|4,0,0]=4 216 B4R0.2 SCCCBr MCULE-4627341228 [0,0,0,0,0,0|3,1,0]=4 217 B4R0.2 SCCCCl MCULE-6410389127 [0,0,0,0,0,0|3,1,0]=4 218 B4R0.2 SCCCS MCULE-8220630729 [0,0,0,0,0,0|3,1,0]=4 219 B4R0.2 [NH2+](CC)CC MCULE-1192179232 [0,0,0,0,0,0|3,0,0]=3 220 B3R0.1 BrCCBr MCULE-7586462642 [1,0,0,0,0,0|3,0,0]=4 221 B3R0.1 BrCCI MCULE-8691237057 [1,0,0,0,0,0|3,0,0]=4 222 B3R0.1 C#CC=O MCULE-4187736819 [1,0,0,0,0,0|1,0,2]=4 223 B3R0.1 C#CCBr MCULE-7634822695 [1,0,0,0,0,0|3,0,0]=4 224 B3R0.1 C#CCC MCULE-8090253856 [1,0,0,0,0,0|2,0,0]=3 225 B3R0.1 C#CCCl MCULE-8379017189 [1,0,0,0,0,0|3,0,0]=4 226 B3R0.1 C#CCN MCULE-3201948975 [1,0,0,0,0,0|3,0,0]=4 227 B3R0.1 C#CCN MCULE-6286515491 [1,0,0,0,0,0|3,0,0]=4 228 B3R0.1 C#CCO MCULE-3909200923 [1,0,0,0,0,0|3,0,0]=4 229 B3R0.1 C/B=N/O MCULE-5227399299 [1,0,0,0,0,0|1,0,1]=3 230 B3R0.1 C/C=C/Br MCULE-4076369660 [1,0,0,0,0,0|2,0,1]=4 231 B3R0.1 C/C=N/O MCULE-2376410404 [1,0,0,0,0,0|0,0,2]=3 232 B3R0.1 C=CC=O MCULE-2104890669 [1,0,0,0,0,0|1,0,2]=4 233 B3R0.1 C=CCBr MCULE-9486454833 [1,0,0,0,0,0|3,0,0]=4 234 B3R0.1 C=CCC MCULE-8167907130 [1,0,0,0,0,0|2,0,0]=3 235 B3R0.1 C=CCCl MCULE-4067772785 [1,0,0,0,0,0|3,0,0]=4 236 B3R0.1 C=CCF MCULE-7783191980 [1,0,0,0,0,0|3,0,0]=4 237 B3R0.1 C=CCI MCULE-5037698873 [1,0,0,0,0,0|3,0,0]=4 238 B3R0.1 C=CCN MCULE-2424616806 [1,0,0,0,0,0|3,0,0]=4 239 B3R0.1 C=CCN MCULE-2473480946 [1,0,0,0,0,0|3,0,0]=4 240 B3R0.1 C=CCO MCULE-2145308838 [1,0,0,0,0,0|3,0,0]=4 241 B3R0.1 C=CCS MCULE-7270484838 [1,0,0,0,0,0|3,0,0]=4 242 B3R0.1 C=COC MCULE-4880746684 [1,0,0,0,0,0|2,0,0]=3 243 B3R0.1 CC#CC MCULE-3721942346 [1,0,0,0,0,0|2,0,1]=4 244 B3R0.1 CC#CI MCULE-4817406645 [1,0,0,0,0,0|2,0,1]=4 245 B3R0.1 CC=CBr MCULE-2098755460 [1,0,0,0,0,0|2,0,1]=4 246 B3R0.1 CC=CCl MCULE-9225887510 [1,0,0,0,0,0|2,0,1]=4 247 B3R0.1 CC=NO MCULE-9761317381 [1,0,0,0,0,0|0,0,2]=3 248 B3R0.1 CCC#N MCULE-9484970536 [1,0,0,0,0,0|1,0,1]=3 249 B3R0.1 CCC=O MCULE-4079744837 [1,0,0,0,0,0|1,0,0]=2 250 B3R0.1 CCCBr MCULE-2393970713 [1,0,0,0,0,0|2,0,0]=3 251 B3R0.1 CCCC MCULE-9760497805 [1,0,0,0,0,0|2,0,0]=3 252 B3R0.1 CCCCl MCULE-3496412829 [1,0,0,0,0,0|2,0,0]=3 253 B3R0.1 CCCF MCULE-8540338768 [1,0,0,0,0,0|2,0,0]=3 254 B3R0.1 CCCI MCULE-1721488805 [1,0,0,0,0,0|2,0,0]=3 255 B3R0.1 CCCN MCULE-2885523792 [1,0,0,0,0,0|1,0,1]=3 256 B3R0.1 CCCN MCULE-4318907091 [1,0,0,0,0,0|1,0,1]=3 257 B3R0.1 CCCN MCULE-6330457870 [1,0,0,0,0,0|1,0,1]=3 258 B3R0.1 CCCN MCULE-7146820007 [1,0,0,0,0,0|1,0,1]=3 259 B3R0.1 CCCO MCULE-6252105126 [1,0,0,0,0,0|1,0,1]=3 260 B3R0.1 CCCS MCULE-8267649092 [1,0,0,0,0,0|1,1,0]=3 261 B3R0.1 CCNC MCULE-7215376398 [1,0,0,0,0,0|1,0,1]=3 262 B3R0.1 CCNC MCULE-9811899205 [1,0,0,0,0,0|1,0,1]=3 263 B3R0.1 CCNN MCULE-4753127904 [1,0,0,0,0,0|1,0,1]=3 264 B3R0.1 CCNN MCULE-7630363192 [1,0,0,0,0,0|1,0,1]=3 265 B3R0.1 CCNN MCULE-8402230944 [1,0,0,0,0,0|1,0,1]=3 266 B3R0.1 CCNO MCULE-1215586669 [1,0,0,0,0,0|0,0,2]=3 267 B3R0.1 CCNO MCULE-7075818857 [1,0,0,0,0,0|0,0,2]=3 268 B3R0.1 CCON MCULE-5316082054 [1,0,0,0,0,0|0,0,1]=2 269 B3R0.1 CCON MCULE-6621418839 [1,0,0,0,0,0|0,0,1]=2 270 B3R0.1 CCO[NH3+] MCULE-7670481464 [1,0,0,0,0,0|0,0,1]=2 271 B3R0.1 CCO[NH3+] MCULE-7871083232 [1,0,0,0,0,0|0,0,1]=2 272 B3R0.1 CCSC MCULE-6944750263 [1,0,0,0,0,0|1,1,0]=3 273 B3R0.1 CN=C=O MCULE-7764606582 [1,0,0,0,0,0|2,0,0]=3 274 B3R0.1 CN=C=S MCULE-6174235995 [1,0,0,0,0,0|2,0,1]=4 275 B3R0.1 CNC#N MCULE-9135475289 [1,0,0,0,0,0|2,0,1]=4 276 B3R0.1 CNC=O MCULE-4739122677 [1,0,0,0,0,0|2,0,0]=3 277 B3R0.1 CNC=S MCULE-1018523469 [1,0,0,0,0,0|2,1,0]=4 278 B3R0.1 CNNC MCULE-5932476941 [1,0,0,0,0,0|2,0,1]=4 279 B3R0.1 CNNC MCULE-6419598860 [1,0,0,0,0,0|2,0,1]=4 280 B3R0.1 CNOC MCULE-1706082503 [1,0,0,0,0,0|1,0,1]=3 281 B3R0.1 CNOC MCULE-6224540090 [1,0,0,0,0,0|1,0,1]=3 282 B3R0.1 COC=O MCULE-9122749354 [1,0,0,0,0,0|1,0,0]=2 283 B3R0.1 COCBr MCULE-2566721472 [1,0,0,0,0,0|2,0,0]=3 284 B3R0.1 COCCl MCULE-5928768006 [1,0,0,0,0,0|2,0,0]=3 285 B3R0.1 COCI MCULE-5215132549 [1,0,0,0,0,0|2,0,0]=3 286 B3R0.1 CSC#N MCULE-3677411130 [1,0,0,0,0,0|2,0,1]=4 287 B3R0.1 CSCCl MCULE-1281800596 [1,0,0,0,0,0|2,1,0]=4 288 B3R0.1 CSSC MCULE-7451882535 [1,0,0,0,0,0|2,1,0]=4 289 B3R0.1 C[Se][Se]C MCULE-1189700302 [1,0,0,0,0,0|2,1,0]=4 290 B3R0.1 ClCCBr MCULE-3933774075 [1,0,0,0,0,0|3,0,0]=4 291 B3R0.1 ClCCCl MCULE-3493741440 [1,0,0,0,0,0|3,0,0]=4 292 B3R0.1 ClCCI MCULE-7847880962 [1,0,0,0,0,0|3,0,0]=4 293 B3R0.1 FCCBr MCULE-3117974140 [1,0,0,0,0,0|3,0,0]=4 294 B3R0.1 FCCCl MCULE-1862981403 [1,0,0,0,0,0|3,0,0]=4 295 B3R0.1 FCCF MCULE-1975194621 [1,0,0,0,0,0|3,0,0]=4 296 B3R0.1 FCCI MCULE-3689313503 [1,0,0,0,0,0|3,0,0]=4 297 B3R0.1 ICCI MCULE-8025471988 [1,0,0,0,0,0|3,0,0]=4 298 B3R0.1 N#CCBr MCULE-3684255203 [1,0,0,0,0,0|2,0,1]=4 299 B3R0.1 N#CCCl MCULE-5316147295 [1,0,0,0,0,0|2,0,1]=4 300 B3R0.1 N#CCF MCULE-7784616816 [1,0,0,0,0,0|2,0,1]=4 301 B3R0.1 N#CCI MCULE-4005602243 [1,0,0,0,0,0|2,0,1]=4 302 B3R0.1 N#CCN MCULE-6677928349 [1,0,0,0,0,0|2,0,1]=4 303 B3R0.1 N#CCN MCULE-6699419972 [1,0,0,0,0,0|2,0,1]=4 304 B3R0.1 N/C=N/O MCULE-9567664507 [1,0,0,0,0,0|1,0,2]=4 305 B3R0.1 NCCBr MCULE-3401124597 [1,0,0,0,0,0|2,0,1]=4 306 B3R0.1 NCCBr MCULE-6215378497 [1,0,0,0,0,0|2,0,1]=4 307 B3R0.1 NCCCl MCULE-1458699843 [1,0,0,0,0,0|2,0,1]=4 308 B3R0.1 NCCCl MCULE-6944306112 [1,0,0,0,0,0|2,0,1]=4 309 B3R0.1 NCCF MCULE-1670520169 [1,0,0,0,0,0|2,0,1]=4 310 B3R0.1 NCCF MCULE-4963351029 [1,0,0,0,0,0|2,0,1]=4 311 B3R0.1 NCCI MCULE-6905308399 [1,0,0,0,0,0|2,0,1]=4 312 B3R0.1 NCCI MCULE-7487764362 [1,0,0,0,0,0|2,0,1]=4 313 B3R0.1 NCCN MCULE-4740333723 [1,0,0,0,0,0|2,0,1]=4 314 B3R0.1 NCCN MCULE-6795272853 [1,0,0,0,0,0|2,0,1]=4 315 B3R0.1 NCCN MCULE-8304126024 [1,0,0,0,0,0|2,0,1]=4 316 B3R0.1 NCCN MCULE-8325612144 [1,0,0,0,0,0|2,0,1]=4 317 B3R0.1 NCCO MCULE-5175116598 [1,0,0,0,0,0|2,0,1]=4 318 B3R0.1 NCCO MCULE-8624730373 [1,0,0,0,0,0|2,0,1]=4 319 B3R0.1 NCCS MCULE-1838427828 [1,0,0,0,0,0|2,0,1]=4 320 B3R0.1 NCCS MCULE-2418938683 [1,0,0,0,0,0|2,0,1]=4 321 B3R0.1 NNC=O MCULE-6986968107 [1,0,0,0,0,0|3,0,0]=4 322 B3R0.1 NOC=O MCULE-4489199776 [1,0,0,0,0,0|2,0,0]=3 323 B3R0.1 O=CC=O MCULE-3212938778 [1,0,0,0,0,0|2,0,1]=4 324 B3R0.1 O=CCBr MCULE-9076011270 [1,0,0,0,0,0|2,0,0]=3 325 B3R0.1 O=CCCl MCULE-7307216184 [1,0,0,0,0,0|2,0,0]=3 326 B3R0.1 O=CCI MCULE-1146810366 [1,0,0,0,0,0|2,0,0]=3 327 B3R0.1 OCCBr MCULE-5097256006 [1,0,0,0,0,0|2,0,1]=4 328 B3R0.1 OCCCl MCULE-5139580173 [1,0,0,0,0,0|2,0,1]=4 329 B3R0.1 OCCF MCULE-7590677201 [1,0,0,0,0,0|2,0,1]=4 330 B3R0.1 OCCI MCULE-8359750387 [1,0,0,0,0,0|2,0,1]=4 331 B3R0.1 OCCO MCULE-6366313128 [1,0,0,0,0,0|2,0,1]=4 332 B3R0.1 OCCS MCULE-2252943288 [1,0,0,0,0,0|2,0,1]=4 333 B3R0.1 PCCP MCULE-2159678577 [1,0,0,0,0,0|2,1,0]=4 334 B3R0.1 SCCBr MCULE-5899941299 [1,0,0,0,0,0|2,1,0]=4 335 B3R0.1 SCCS MCULE-8277435664 [1,0,0,0,0,0|2,1,0]=4 336 B3R0.1 [NH3+]CCS MCULE-6407472407 [1,0,0,0,0,0|2,0,1]=4 337 B3R0.1 [NH3+]CC[NH3+] MCULE-5313549416 [1,0,0,0,0,0|2,0,1]=4 338 B5R0.1 C#CCC(C)C MCULE-2506063278 [0,1,0,0,0,0|3,0,0]=4 339 B5R0.1 C#CCC(C)N MCULE-1523044787 [0,1,0,0,0,0|3,0,0]=4 340 B5R0.1 C#CCC(C)N MCULE-3399522488 [0,1,0,0,0,0|3,0,0]=4 341 B5R0.1 C#CCC(C)O MCULE-2487589857 [0,1,0,0,0,0|3,0,0]=4 342 B5R0.1 C(C)(N)CCC MCULE-4800297905 [0,1,0,0,0,0|3,0,0]=4 343 B5R0.1 C(C)(N)CCC MCULE-7674864567 [0,1,0,0,0,0|3,0,0]=4 344 B5R0.1 C(C)(N)CCO MCULE-5545469271 [0,1,0,0,0,0|2,0,1]=4 345 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [0,1,0,0,0,0|2,0,1]=4 346 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [0,1,0,0,0,0|2,0,1]=4 347 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [0,1,0,0,0,0|2,0,1]=4 348 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [0,1,0,0,0,0|2,0,1]=4 349 B5R0.1 C/C=C/C(C)C MCULE-8705863155 [0,1,0,0,0,0|3,0,0]=4 350 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [0,1,0,0,0,0|3,0,0]=4 351 B5R0.1 C=C(C)CCC MCULE-8225129744 [0,1,0,0,0,0|3,0,0]=4 352 B5R0.1 C=C(C)OCC MCULE-5303468686 [0,1,0,0,0,0|2,0,0]=3 353 B5R0.1 C=CCC(C)Br MCULE-5638987302 [0,1,0,0,0,0|3,0,0]=4 354 B5R0.1 C=CCC(C)C MCULE-4586731422 [0,1,0,0,0,0|3,0,0]=4 355 B5R0.1 C=CCC(C)N MCULE-5354228552 [0,1,0,0,0,0|3,0,0]=4 356 B5R0.1 C=CCC(C)N MCULE-9454660067 [0,1,0,0,0,0|3,0,0]=4 357 B5R0.1 C=CCC(C)O MCULE-7724200334 [0,1,0,0,0,0|3,0,0]=4 358 B5R0.1 C=CCC(C)O MCULE-9910771503 [0,1,0,0,0,0|3,0,0]=4 359 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [0,1,0,0,0,0|3,0,0]=4 360 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [0,1,0,0,0,0|3,0,0]=4 361 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [0,1,0,0,0,0|3,0,0]=4 362 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [0,1,0,0,0,0|3,0,0]=4 363 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [0,1,0,0,0,0|3,0,0]=4 364 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [0,1,0,0,0,0|3,0,0]=4 365 B5R0.1 C=COC(=O)C MCULE-7626795765 [0,1,0,0,0,0|1,0,2]=4 366 B5R0.1 C=COC(=O)Cl MCULE-9915729615 [0,1,0,0,0,0|1,0,2]=4 367 B5R0.1 C=COC(C)C MCULE-6339383821 [0,1,0,0,0,0|2,0,0]=3 368 B5R0.1 CC#CC(=O)C MCULE-4083248904 [0,1,0,0,0,0|2,0,1]=4 369 B5R0.1 CC#CC(=O)Cl MCULE-6807810093 [0,1,0,0,0,0|2,0,1]=4 370 B5R0.1 CC#CC(=O)O MCULE-9994142213 [0,1,0,0,0,0|2,0,1]=4 371 B5R0.1 CC#CC(C)C MCULE-9841369985 [0,1,0,0,0,0|3,0,0]=4 372 B5R0.1 CC#CC(C)O MCULE-5523814936 [0,1,0,0,0,0|3,0,0]=4 373 B5R0.1 CC(=CC=O)C MCULE-7002222435 [0,1,0,0,0,0|2,0,1]=4 374 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [0,1,0,0,0,0|2,0,1]=4 375 B5R0.1 CC(=CC=O)N MCULE-2659507627 [0,1,0,0,0,0|2,0,1]=4 376 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [0,1,0,0,0,0|1,0,2]=4 377 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [0,1,0,0,0,0|1,0,2]=4 378 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [0,1,0,0,0,0|2,0,1]=4 379 B5R0.1 CC(=O)C=NO MCULE-5513006918 [0,1,0,0,0,0|1,0,2]=4 380 B5R0.1 CC(=O)CCBr MCULE-2615300206 [0,1,0,0,0,0|3,0,0]=4 381 B5R0.1 CC(=O)CCCl MCULE-8019748964 [0,1,0,0,0,0|3,0,0]=4 382 B5R0.1 CC(=O)CCN MCULE-7550348751 [0,1,0,0,0,0|3,0,0]=4 383 B5R0.1 CC(=O)CCN MCULE-9519063810 [0,1,0,0,0,0|3,0,0]=4 384 B5R0.1 CC(=O)CCO MCULE-6328537335 [0,1,0,0,0,0|3,0,0]=4 385 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [0,1,0,0,0,0|2,0,1]=4 386 B5R0.1 CC(=O)NCO MCULE-4563335540 [0,1,0,0,0,0|3,0,0]=4 387 B5R0.1 CC(=O)OCBr MCULE-9842804945 [0,1,0,0,0,0|2,0,0]=3 388 B5R0.1 CC(=O)OCCl MCULE-6822222026 [0,1,0,0,0,0|2,0,0]=3 389 B5R0.1 CC(=O)SCBr MCULE-9794607323 [0,1,0,0,0,0|2,1,0]=4 390 B5R0.1 CC(Br)CC#N MCULE-6321379216 [0,1,0,0,0,0|3,0,0]=4 391 B5R0.1 CC(Br)CCBr MCULE-1045475402 [0,1,0,0,0,0|3,0,0]=4 392 B5R0.1 CC(C)/C=N/O MCULE-3201457095 [0,1,0,0,0,0|1,0,1]=3 393 B5R0.1 CC(C)C=NO MCULE-9842574696 [0,1,0,0,0,0|1,0,1]=3 394 B5R0.1 CC(C)CC#N MCULE-4346986727 [0,1,0,0,0,0|3,0,0]=4 395 B5R0.1 CC(C)CC=O MCULE-2939497534 [0,1,0,0,0,0|2,0,0]=3 396 B5R0.1 CC(C)CCBr MCULE-7163010428 [0,1,0,0,0,0|3,0,0]=4 397 B5R0.1 CC(C)CCCl MCULE-8360122696 [0,1,0,0,0,0|3,0,0]=4 398 B5R0.1 CC(C)CCCl MCULE-9017922949 [0,1,0,0,0,0|3,0,0]=4 399 B5R0.1 CC(C)CCI MCULE-4934529500 [0,1,0,0,0,0|3,0,0]=4 400 B5R0.1 CC(C)CCN MCULE-3081003576 [0,1,0,0,0,0|3,0,0]=4 401 B5R0.1 CC(C)CCN MCULE-5118782389 [0,1,0,0,0,0|3,0,0]=4 402 B5R0.1 CC(C)CCN MCULE-5217981670 [0,1,0,0,0,0|3,0,0]=4 403 B5R0.1 CC(C)CCN MCULE-6280940933 [0,1,0,0,0,0|3,0,0]=4 404 B5R0.1 CC(C)CCO MCULE-7411270401 [0,1,0,0,0,0|2,0,1]=4 405 B5R0.1 CC(C)CCS MCULE-7115473363 [0,1,0,0,0,0|2,1,0]=4 406 B5R0.1 CC(C)CNN MCULE-6797887001 [0,1,0,0,0,0|2,0,1]=4 407 B5R0.1 CC(C)CNN MCULE-9592971233 [0,1,0,0,0,0|2,0,1]=4 408 B5R0.1 CC(C)CNN MCULE-9725792452 [0,1,0,0,0,0|2,0,1]=4 409 B5R0.1 CC(C)CON MCULE-3476786246 [0,1,0,0,0,0|3,0,0]=4 410 B5R0.1 CC(C)CON MCULE-4450654727 [0,1,0,0,0,0|3,0,0]=4 411 B5R0.1 CC(C)N=C=O MCULE-8392299675 [0,1,0,0,0,0|2,0,0]=3 412 B5R0.1 CC(C)N=C=S MCULE-7689456429 [0,1,0,0,0,0|2,1,0]=4 413 B5R0.1 CC(C)N=N#N MCULE-4920057169 [0,1,0,0,0,0|2,0,1]=4 414 B5R0.1 CC(C)NC=O MCULE-1764010394 [0,1,0,0,0,0|2,0,0]=3 415 B5R0.1 CC(C)OC=O MCULE-8263698122 [0,1,0,0,0,0|1,0,0]=2 416 B5R0.1 CC(C)OCCl MCULE-3680602217 [0,1,0,0,0,0|2,0,0]=3 417 B5R0.1 CC(C)SC#N MCULE-2480992384 [0,1,0,0,0,0|2,1,0]=4 418 B5R0.1 CC(C)SCCl MCULE-3836735379 [0,1,0,0,0,0|2,1,0]=4 419 B5R0.1 CC(Cl)CCCl MCULE-3656498608 [0,1,0,0,0,0|3,0,0]=4 420 B5R0.1 CC(Cl)CCO MCULE-1955496242 [0,1,0,0,0,0|2,0,1]=4 421 B5R0.1 CC(F)CCBr MCULE-3035340901 [0,1,0,0,0,0|3,0,0]=4 422 B5R0.1 CC(F)CCI MCULE-6469250150 [0,1,0,0,0,0|3,0,0]=4 423 B5R0.1 CC(F)CCN MCULE-2805813131 [0,1,0,0,0,0|3,0,0]=4 424 B5R0.1 CC(F)CCN MCULE-5849913362 [0,1,0,0,0,0|3,0,0]=4 425 B5R0.1 CC(N)CC#N MCULE-2350352782 [0,1,0,0,0,0|3,0,0]=4 426 B5R0.1 CC(N)CC#N MCULE-7269201059 [0,1,0,0,0,0|3,0,0]=4 427 B5R0.1 CC(N)CCN MCULE-5308134596 [0,1,0,0,0,0|3,0,0]=4 428 B5R0.1 CC(N)CCN MCULE-5880045507 [0,1,0,0,0,0|3,0,0]=4 429 B5R0.1 CC(N)CCN MCULE-7827515430 [0,1,0,0,0,0|3,0,0]=4 430 B5R0.1 CC(N)CCO MCULE-1771399942 [0,1,0,0,0,0|2,0,1]=4 431 B5R0.1 CC(N)CCO MCULE-7239872808 [0,1,0,0,0,0|2,0,1]=4 432 B5R0.1 CC(O)CC#N MCULE-7172428142 [0,1,0,0,0,0|3,0,0]=4 433 B5R0.1 CC(O)CCBr MCULE-7983169885 [0,1,0,0,0,0|3,0,0]=4 434 B5R0.1 CC(O)CCCl MCULE-2952545606 [0,1,0,0,0,0|3,0,0]=4 435 B5R0.1 CC(O)CCN MCULE-6836791276 [0,1,0,0,0,0|3,0,0]=4 436 B5R0.1 CC(O)CCN MCULE-7186260925 [0,1,0,0,0,0|3,0,0]=4 437 B5R0.1 CC(O)CCO MCULE-1694239851 [0,1,0,0,0,0|2,0,1]=4 438 B5R0.1 CC(O)CCO MCULE-7784884948 [0,1,0,0,0,0|2,0,1]=4 439 B5R0.1 CC(O)CNN MCULE-4956670781 [0,1,0,0,0,0|2,0,1]=4 440 B5R0.1 CC(O)CNN MCULE-7917439573 [0,1,0,0,0,0|2,0,1]=4 441 B5R0.1 CC(O)CON MCULE-1051091134 [0,1,0,0,0,0|3,0,0]=4 442 B5R0.1 CC(O)CON MCULE-6722092589 [0,1,0,0,0,0|3,0,0]=4 443 B5R0.1 CC(S)CCO MCULE-5702212503 [0,1,0,0,0,0|2,0,1]=4 444 B5R0.1 CC=CC(=O)C MCULE-4826977340 [0,1,0,0,0,0|2,0,1]=4 445 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [0,1,0,0,0,0|2,0,1]=4 446 B5R0.1 CC=CC(=O)N MCULE-9693879476 [0,1,0,0,0,0|2,0,1]=4 447 B5R0.1 CC=CC(=O)O MCULE-7970410217 [0,1,0,0,0,0|2,0,1]=4 448 B5R0.1 CC=CC(C)C MCULE-9898453837 [0,1,0,0,0,0|3,0,0]=4 449 B5R0.1 CC=CC(C)O MCULE-4806592836 [0,1,0,0,0,0|3,0,0]=4 450 B5R0.1 CC=C[N+](=O)[O-] MCULE-2987135481 [0,1,0,0,0,0|1,0,2]=4 451 B5R0.1 CCC=C(C)C MCULE-2405063894 [0,1,0,0,0,0|3,0,0]=4 452 B5R0.1 CCC=C(F)F MCULE-5180612061 [0,1,0,0,0,0|3,0,0]=4 453 B5R0.1 CCCB(O)O MCULE-4994980798 [0,1,0,0,0,0|2,0,1]=4 454 B5R0.1 CCCC(=N)N MCULE-5974105638 [0,1,0,0,0,0|3,0,0]=4 455 B5R0.1 CCCC(=N)N MCULE-9230704591 [0,1,0,0,0,0|3,0,0]=4 456 B5R0.1 CCCC(=O)C MCULE-7174095676 [0,1,0,0,0,0|2,0,0]=3 457 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [0,1,0,0,0,0|2,0,0]=3 458 B5R0.1 CCCC(=O)N MCULE-2712067671 [0,1,0,0,0,0|2,0,0]=3 459 B5R0.1 CCCC(=O)O MCULE-4116382006 [0,1,0,0,0,0|2,0,0]=3 460 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [0,1,0,0,0,0|2,0,0]=3 461 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [0,1,0,0,0,0|2,0,0]=3 462 B5R0.1 CCCC(=S)N MCULE-3529335988 [0,1,0,0,0,0|2,1,0]=4 463 B5R0.1 CCCC(=S)O MCULE-3382199964 [0,1,0,0,0,0|2,0,1]=4 464 B5R0.1 CCCC(C)Br MCULE-3178073667 [0,1,0,0,0,0|3,0,0]=4 465 B5R0.1 CCCC(C)C MCULE-9604552974 [0,1,0,0,0,0|3,0,0]=4 466 B5R0.1 CCCC(C)N MCULE-2640298430 [0,1,0,0,0,0|3,0,0]=4 467 B5R0.1 CCCC(C)N MCULE-7225905167 [0,1,0,0,0,0|3,0,0]=4 468 B5R0.1 CCCC(C)O MCULE-8205906299 [0,1,0,0,0,0|2,0,1]=4 469 B5R0.1 CCCC(C)S MCULE-1649095713 [0,1,0,0,0,0|2,1,0]=4 470 B5R0.1 CCCC(O)Cl MCULE-3188577082 [0,1,0,0,0,0|2,0,1]=4 471 B5R0.1 CCCN(=O)=O MCULE-5615753372 [0,1,0,0,0,0|1,0,1]=3 472 B5R0.1 CCCN(C)C MCULE-8702643596 [0,1,0,0,0,0|2,0,1]=4 473 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [0,1,0,0,0,0|2,0,0]=3 474 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [0,1,0,0,0,0|2,0,0]=3 475 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [0,1,0,0,0,0|3,0,0]=4 476 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [0,1,0,0,0,0|3,0,0]=4 477 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [0,1,0,0,0,0|3,0,0]=4 478 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [0,1,0,0,0,0|3,0,0]=4 479 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [0,1,0,0,0,0|2,0,1]=4 480 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [0,1,0,0,0,0|3,0,0]=4 481 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [0,1,0,0,0,0|3,0,0]=4 482 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [0,1,0,0,0,0|3,0,0]=4 483 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [0,1,0,0,0,0|3,0,0]=4 484 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [0,1,0,0,0,0|2,0,1]=4 485 B5R0.1 CCNC(=N)N MCULE-4729418155 [0,1,0,0,0,0|3,0,0]=4 486 B5R0.1 CCNC(=N)N MCULE-5123343071 [0,1,0,0,0,0|3,0,0]=4 487 B5R0.1 CCNC(=O)C MCULE-7543656350 [0,1,0,0,0,0|2,0,0]=3 488 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [0,1,0,0,0,0|2,0,0]=3 489 B5R0.1 CCNC(=O)N MCULE-1913599861 [0,1,0,0,0,0|2,0,0]=3 490 B5R0.1 CCNC(=S)N MCULE-3849517146 [0,1,0,0,0,0|2,1,0]=4 491 B5R0.1 CCNC(C)C MCULE-8064118469 [0,1,0,0,0,0|3,0,0]=4 492 B5R0.1 CCOC(=N)C MCULE-3060267072 [0,1,0,0,0,0|2,0,0]=3 493 B5R0.1 CCOC(=N)C MCULE-3943786182 [0,1,0,0,0,0|2,0,0]=3 494 B5R0.1 CCOC(=N)N MCULE-3570858508 [0,1,0,0,0,0|2,0,0]=3 495 B5R0.1 CCOC(=N)N MCULE-6061063856 [0,1,0,0,0,0|2,0,0]=3 496 B5R0.1 CCOC(=O)C MCULE-6628539781 [0,1,0,0,0,0|1,0,0]=2 497 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [0,1,0,0,0,0|1,0,0]=2 498 B5R0.1 CCOC(=O)N MCULE-1776877276 [0,1,0,0,0,0|1,0,0]=2 499 B5R0.1 CCOC(=S)C MCULE-3358897597 [0,1,0,0,0,0|1,1,0]=3 500 B5R0.1 CCOC(=S)N MCULE-4649285010 [0,1,0,0,0,0|1,1,0]=3 501 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [0,1,0,0,0,0|1,1,0]=3 502 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [0,1,0,0,0,0|1,1,0]=3 503 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [0,1,0,0,0,0|1,1,0]=3 504 B5R0.1 CCOC(C)C MCULE-1934548340 [0,1,0,0,0,0|2,0,0]=3 505 B5R0.1 CCOC(C)Cl MCULE-8486994638 [0,1,0,0,0,0|2,0,0]=3 506 B5R0.1 CCOP(Cl)Cl MCULE-1218379857 [0,1,0,0,0,0|1,1,0]=3 507 B5R0.1 CCSC(=N)N MCULE-2161729152 [0,1,0,0,0,0|2,1,0]=4 508 B5R0.1 CCSC(=N)N MCULE-2547252984 [0,1,0,0,0,0|2,1,0]=4 509 B5R0.1 CCSC(=O)C MCULE-8015440229 [0,1,0,0,0,0|1,1,0]=3 510 B5R0.1 CCSC(=S)C MCULE-1502137460 [0,1,0,0,0,0|1,2,0]=4 511 B5R0.1 CCSC(=S)[S-] MCULE-2573650807 [0,1,0,0,0,0|1,2,0]=4 512 B5R0.1 CCSC(=S)[S-] MCULE-6172057982 [0,1,0,0,0,0|1,2,0]=4 513 B5R0.1 CCSC(C)C MCULE-3738251898 [0,1,0,0,0,0|2,1,0]=4 514 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [0,1,0,0,0,0|3,0,0]=4 515 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [0,1,0,0,0,0|2,0,1]=4 516 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [0,1,0,0,0,0|2,0,1]=4 517 B5R0.1 CN(C)CC=O MCULE-1229218563 [0,1,0,0,0,0|3,0,0]=4 518 B5R0.1 CN(C)CC=O MCULE-3577561950 [0,1,0,0,0,0|3,0,0]=4 519 B5R0.1 CN(C)CC=O MCULE-4493766862 [0,1,0,0,0,0|3,0,0]=4 520 B5R0.1 CN(C)CC=O MCULE-8123455398 [0,1,0,0,0,0|3,0,0]=4 521 B5R0.1 CN(C)NC=O MCULE-1557896286 [0,1,0,0,0,0|3,0,0]=4 522 B5R0.1 CN=CN(C)C MCULE-2522407175 [0,1,0,0,0,0|3,0,0]=4 523 B5R0.1 CNCC(=O)C MCULE-3695443024 [0,1,0,0,0,0|3,0,0]=4 524 B5R0.1 CNCC(=O)C MCULE-7402723072 [0,1,0,0,0,0|3,0,0]=4 525 B5R0.1 CNCC(=O)N MCULE-2328887394 [0,1,0,0,0,0|3,0,0]=4 526 B5R0.1 CNCC(=O)N MCULE-3031605853 [0,1,0,0,0,0|3,0,0]=4 527 B5R0.1 CNCC(=O)N MCULE-7300977677 [0,1,0,0,0,0|3,0,0]=4 528 B5R0.1 CNCC(=O)O MCULE-3448356048 [0,1,0,0,0,0|3,0,0]=4 529 B5R0.1 CNCC(=O)O MCULE-4484444573 [0,1,0,0,0,0|3,0,0]=4 530 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [0,1,0,0,0,0|3,0,0]=4 531 B5R0.1 CNCC(C)C MCULE-6582386339 [0,1,0,0,0,0|2,0,1]=4 532 B5R0.1 CNCC(C)C MCULE-6856717783 [0,1,0,0,0,0|2,0,1]=4 533 B5R0.1 CNCC(C)F MCULE-4381138647 [0,1,0,0,0,0|2,0,1]=4 534 B5R0.1 CNCC(C)F MCULE-9018181183 [0,1,0,0,0,0|2,0,1]=4 535 B5R0.1 CNCC(C)O MCULE-3671071529 [0,1,0,0,0,0|2,0,1]=4 536 B5R0.1 CNCC(C)O MCULE-4171705304 [0,1,0,0,0,0|2,0,1]=4 537 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [0,1,0,0,0,0|2,0,1]=4 538 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [0,1,0,0,0,0|2,0,1]=4 539 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [0,1,0,0,0,0|2,0,1]=4 540 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [0,1,0,0,0,0|2,0,1]=4 541 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [0,1,0,0,0,0|2,0,1]=4 542 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [0,1,0,0,0,0|2,0,1]=4 543 B5R0.1 CNOC(=O)C MCULE-1464426541 [0,1,0,0,0,0|2,0,0]=3 544 B5R0.1 CNOC(=O)C MCULE-2976282666 [0,1,0,0,0,0|2,0,0]=3 545 B5R0.1 COCC(=O)C MCULE-7262197587 [0,1,0,0,0,0|3,0,0]=4 546 B5R0.1 COCC(=O)Cl MCULE-5449267495 [0,1,0,0,0,0|3,0,0]=4 547 B5R0.1 COCC(=O)N MCULE-6674958132 [0,1,0,0,0,0|3,0,0]=4 548 B5R0.1 COCC(=O)O MCULE-3945589151 [0,1,0,0,0,0|3,0,0]=4 549 B5R0.1 COCC(C)Br MCULE-6850689931 [0,1,0,0,0,0|3,0,0]=4 550 B5R0.1 COCC(C)I MCULE-8608265714 [0,1,0,0,0,0|3,0,0]=4 551 B5R0.1 COCC(C)N MCULE-1896873634 [0,1,0,0,0,0|3,0,0]=4 552 B5R0.1 COCC(C)N MCULE-2549420211 [0,1,0,0,0,0|3,0,0]=4 553 B5R0.1 COCC(C)N MCULE-3490410444 [0,1,0,0,0,0|3,0,0]=4 554 B5R0.1 COCC(C)N MCULE-7089888882 [0,1,0,0,0,0|3,0,0]=4 555 B5R0.1 COCC(C)O MCULE-4022733014 [0,1,0,0,0,0|3,0,0]=4 556 B5R0.1 COCC(C)O MCULE-7513310960 [0,1,0,0,0,0|3,0,0]=4 557 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [0,1,0,0,0,0|3,0,0]=4 558 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [0,1,0,0,0,0|3,0,0]=4 559 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [0,1,0,0,0,0|3,0,0]=4 560 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [0,1,0,0,0,0|3,0,0]=4 561 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [0,1,0,0,0,0|3,0,0]=4 562 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [0,1,0,0,0,0|3,0,0]=4 563 B5R0.1 COC[C@H](C)N MCULE-2465679418 [0,1,0,0,0,0|3,0,0]=4 564 B5R0.1 COC[C@H](C)N MCULE-2998593539 [0,1,0,0,0,0|3,0,0]=4 565 B5R0.1 COC[C@H](C)N MCULE-3161045661 [0,1,0,0,0,0|3,0,0]=4 566 B5R0.1 COC[C@H](C)N MCULE-9550165578 [0,1,0,0,0,0|3,0,0]=4 567 B5R0.1 COC[C@H](C)O MCULE-5908531683 [0,1,0,0,0,0|3,0,0]=4 568 B5R0.1 COC[C@H](C)O MCULE-8619138238 [0,1,0,0,0,0|3,0,0]=4 569 B5R0.1 CONC(=O)C MCULE-6601866630 [0,1,0,0,0,0|3,0,0]=4 570 B5R0.1 CONC(=O)N MCULE-3063713861 [0,1,0,0,0,0|3,0,0]=4 571 B5R0.1 CS(=O)CCBr MCULE-7846126230 [0,1,0,0,0,0|3,0,0]=4 572 B5R0.1 CS(=O)CCCl MCULE-7012781505 [0,1,0,0,0,0|3,0,0]=4 573 B5R0.1 CS(=O)CCN MCULE-6497874560 [0,1,0,0,0,0|3,0,0]=4 574 B5R0.1 CS(=O)CCN MCULE-8275663766 [0,1,0,0,0,0|3,0,0]=4 575 B5R0.1 CS(=O)CCN MCULE-8330490290 [0,1,0,0,0,0|3,0,0]=4 576 B5R0.1 CS(=O)CCO MCULE-8331553582 [0,1,0,0,0,0|3,0,0]=4 577 B5R0.1 CSCC(=O)C MCULE-4131794172 [0,1,0,0,0,0|3,0,0]=4 578 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [0,1,0,0,0,0|3,0,0]=4 579 B5R0.1 CSCC(=O)N MCULE-4865579476 [0,1,0,0,0,0|3,0,0]=4 580 B5R0.1 CSCC(=O)O MCULE-7003418159 [0,1,0,0,0,0|3,0,0]=4 581 B5R0.1 CSCC(C)N MCULE-7985946030 [0,1,0,0,0,0|3,0,0]=4 582 B5R0.1 CSCC(C)O MCULE-2227652351 [0,1,0,0,0,0|3,0,0]=4 583 B5R0.1 CSCS(=O)C MCULE-3167702486 [0,1,0,0,0,0|3,0,0]=4 584 B5R0.1 CSNC(=O)C MCULE-7350061514 [0,1,0,0,0,0|3,0,0]=4 585 B5R0.1 C[C@@H](N)CC#N MCULE-1923686728 [0,1,0,0,0,0|3,0,0]=4 586 B5R0.1 C[C@@H](N)CC#N MCULE-5694530830 [0,1,0,0,0,0|3,0,0]=4 587 B5R0.1 C[C@@H](N)CC#N MCULE-8880445785 [0,1,0,0,0,0|3,0,0]=4 588 B5R0.1 C[C@@H](N)CC#N MCULE-9410509782 [0,1,0,0,0,0|3,0,0]=4 589 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [0,1,0,0,0,0|2,0,1]=4 590 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [0,1,0,0,0,0|2,0,1]=4 591 B5R0.1 C[C@@H](O)CC#N MCULE-2879004464 [0,1,0,0,0,0|3,0,0]=4 592 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [0,1,0,0,0,0|3,0,0]=4 593 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [0,1,0,0,0,0|3,0,0]=4 594 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [0,1,0,0,0,0|3,0,0]=4 595 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [0,1,0,0,0,0|3,0,0]=4 596 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [0,1,0,0,0,0|2,0,1]=4 597 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [0,1,0,0,0,0|2,0,1]=4 598 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [0,1,0,0,0,0|3,0,0]=4 599 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [0,1,0,0,0,0|3,0,0]=4 600 B5R0.1 C[C@H](N)CC#N MCULE-1876010727 [0,1,0,0,0,0|3,0,0]=4 601 B5R0.1 C[C@H](N)CC#N MCULE-6927344020 [0,1,0,0,0,0|3,0,0]=4 602 B5R0.1 C[C@H](N)CC#N MCULE-9082410813 [0,1,0,0,0,0|3,0,0]=4 603 B5R0.1 C[C@H](N)CC#N MCULE-9498047771 [0,1,0,0,0,0|3,0,0]=4 604 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [0,1,0,0,0,0|2,0,1]=4 605 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [0,1,0,0,0,0|2,0,1]=4 606 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [0,1,0,0,0,0|2,0,1]=4 607 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [0,1,0,0,0,0|2,0,1]=4 608 B5R0.1 C[C@H](O)CC#N MCULE-1968982761 [0,1,0,0,0,0|3,0,0]=4 609 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [0,1,0,0,0,0|3,0,0]=4 610 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [0,1,0,0,0,0|3,0,0]=4 611 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [0,1,0,0,0,0|2,0,1]=4 612 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [0,1,0,0,0,0|2,0,1]=4 613 B5R0.1 C[C@H](O)CON MCULE-4216605221 [0,1,0,0,0,0|3,0,0]=4 614 B5R0.1 C[C@H](O)CON MCULE-9863094719 [0,1,0,0,0,0|3,0,0]=4 615 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [0,1,0,0,0,0|3,0,0]=4 616 B5R0.1 NC(=O)CCBr MCULE-3930714776 [0,1,0,0,0,0|3,0,0]=4 617 B5R0.1 NC(=O)CCCl MCULE-8300320959 [0,1,0,0,0,0|3,0,0]=4 618 B5R0.1 NC(=O)CCO MCULE-4026170350 [0,1,0,0,0,0|3,0,0]=4 619 B5R0.1 NC(=O)CCS MCULE-7451827717 [0,1,0,0,0,0|3,0,0]=4 620 B5R0.1 NC(=O)NCO MCULE-7403641101 [0,1,0,0,0,0|3,0,0]=4 621 B5R0.1 NC(=O)NN=O MCULE-2820469915 [0,1,0,0,0,0|2,0,1]=4 622 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [0,1,0,0,0,0|3,0,0]=4 623 B5R0.1 NCCC(=O)N MCULE-2899414135 [0,1,0,0,0,0|3,0,0]=4 624 B5R0.1 NCCC(=O)N MCULE-6993286668 [0,1,0,0,0,0|3,0,0]=4 625 B5R0.1 NCCC(=O)O MCULE-1344289084 [0,1,0,0,0,0|3,0,0]=4 626 B5R0.1 NCCC(=O)O MCULE-2298605337 [0,1,0,0,0,0|3,0,0]=4 627 B5R0.1 NCCC(=O)O MCULE-9375577631 [0,1,0,0,0,0|3,0,0]=4 628 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [0,1,0,0,0,0|3,0,0]=4 629 B5R0.1 NCCN(=O)=O MCULE-8137427440 [0,1,0,0,0,0|2,0,1]=4 630 B5R0.1 NCCP(=O)O MCULE-7093964616 [0,1,0,0,0,0|2,1,0]=4 631 B5R0.1 NCCS(=O)O MCULE-4372248641 [0,1,0,0,0,0|3,0,0]=4 632 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [0,1,0,0,0,0|3,0,0]=4 633 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [0,1,0,0,0,0|3,0,0]=4 634 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [0,1,0,0,0,0|3,0,0]=4 635 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [0,1,0,0,0,0|2,0,0]=3 636 B5R0.1 O=C(O)CCBr MCULE-2816055853 [0,1,0,0,0,0|3,0,0]=4 637 B5R0.1 O=C(O)CCCl MCULE-8511144183 [0,1,0,0,0,0|3,0,0]=4 638 B5R0.1 O=C(O)CCF MCULE-4382025684 [0,1,0,0,0,0|3,0,0]=4 639 B5R0.1 O=C(O)CCI MCULE-3371354708 [0,1,0,0,0,0|3,0,0]=4 640 B5R0.1 O=C(O)CCO MCULE-3428604829 [0,1,0,0,0,0|3,0,0]=4 641 B5R0.1 O=C(O)CCS MCULE-3211932163 [0,1,0,0,0,0|3,0,0]=4 642 B5R0.1 O=C([O-])CCO MCULE-4429611588 [0,1,0,0,0,0|3,0,0]=4 643 B5R0.1 O=N(=O)CCO MCULE-2060841405 [0,1,0,0,0,0|2,0,1]=4 644 B5R0.1 O=N(=O)CCS MCULE-4845430658 [0,1,0,0,0,0|2,0,1]=4 645 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [0,1,0,0,0,0|2,0,1]=4 646 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [0,1,0,0,0,0|2,0,1]=4 647 B5R0.1 [C@H](C)(O)CC#N MCULE-6894178072 [0,1,0,0,0,0|3,0,0]=4 648 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [0,1,0,0,0,0|2,0,1]=4 649 B5R0.2 BrCCCCBr MCULE-5088378536 [0,1,0,0,0,0|3,0,0]=4 650 B5R0.2 C#CCCC=O MCULE-9994552907 [0,1,0,0,0,0|2,0,1]=4 651 B5R0.2 C#CCCCBr MCULE-3834416844 [0,1,0,0,0,0|3,0,0]=4 652 B5R0.2 C#CCCCC MCULE-5706969297 [0,1,0,0,0,0|3,0,0]=4 653 B5R0.2 C#CCCCCl MCULE-3879115419 [0,1,0,0,0,0|3,0,0]=4 654 B5R0.2 C#CCCCI MCULE-4063232871 [0,1,0,0,0,0|3,0,0]=4 655 B5R0.2 C#CCCCN MCULE-3191305523 [0,1,0,0,0,0|3,0,0]=4 656 B5R0.2 C#CCCCN MCULE-3259677872 [0,1,0,0,0,0|3,0,0]=4 657 B5R0.2 C#CCCCO MCULE-6360852809 [0,1,0,0,0,0|3,0,0]=4 658 B5R0.2 C#CCCNC MCULE-1590490287 [0,1,0,0,0,0|3,0,0]=4 659 B5R0.2 C#CCCNC MCULE-4004733974 [0,1,0,0,0,0|3,0,0]=4 660 B5R0.2 C#CCCNC MCULE-7566671614 [0,1,0,0,0,0|3,0,0]=4 661 B5R0.2 C#CCCOC MCULE-7152168835 [0,1,0,0,0,0|3,0,0]=4 662 B5R0.2 C#CCN=C=O MCULE-4596537785 [0,1,0,0,0,0|1,0,2]=4 663 B5R0.2 C#CCNCC MCULE-1258696824 [0,1,0,0,0,0|3,0,0]=4 664 B5R0.2 C#CCNCC MCULE-3363103527 [0,1,0,0,0,0|3,0,0]=4 665 B5R0.2 C#CCOCC MCULE-1055202735 [0,1,0,0,0,0|2,0,0]=3 666 B5R0.2 C#CCOCCl MCULE-6198656758 [0,1,0,0,0,0|2,0,1]=4 667 B5R0.2 C#CCSCC MCULE-5718021970 [0,1,0,0,0,0|2,1,0]=4 668 B5R0.2 C/C=C/CCC MCULE-9851656818 [0,1,0,0,0,0|3,0,0]=4 669 B5R0.2 C/C=C/CCO MCULE-3952855392 [0,1,0,0,0,0|3,0,0]=4 670 B5R0.2 C/C=C/OCC MCULE-2891896400 [0,1,0,0,0,0|2,0,0]=3 671 B5R0.2 C/C=C\CCC MCULE-1013657748 [0,1,0,0,0,0|3,0,0]=4 672 B5R0.2 C=C/C=C/CC MCULE-5996202716 [0,1,0,0,0,0|3,0,0]=4 673 B5R0.2 C=C=CCCBr MCULE-5561919067 [0,1,0,0,0,0|3,0,0]=4 674 B5R0.2 C=C=CCCI MCULE-7583015374 [0,1,0,0,0,0|3,0,0]=4 675 B5R0.2 C=C=CCCN MCULE-5814175873 [0,1,0,0,0,0|3,0,0]=4 676 B5R0.2 C=C=CCCN MCULE-8177198091 [0,1,0,0,0,0|3,0,0]=4 677 B5R0.2 C=C=CCCO MCULE-1054355649 [0,1,0,0,0,0|3,0,0]=4 678 B5R0.2 C=CCCC=O MCULE-7850336174 [0,1,0,0,0,0|2,0,1]=4 679 B5R0.2 C=CCCCBr MCULE-5027518679 [0,1,0,0,0,0|3,0,0]=4 680 B5R0.2 C=CCCCC MCULE-4750698031 [0,1,0,0,0,0|3,0,0]=4 681 B5R0.2 C=CCCCCl MCULE-3877430809 [0,1,0,0,0,0|3,0,0]=4 682 B5R0.2 C=CCCCI MCULE-8692831514 [0,1,0,0,0,0|3,0,0]=4 683 B5R0.2 C=CCCCN MCULE-5787926547 [0,1,0,0,0,0|3,0,0]=4 684 B5R0.2 C=CCCCN MCULE-7346989227 [0,1,0,0,0,0|3,0,0]=4 685 B5R0.2 C=CCCCO MCULE-5946342321 [0,1,0,0,0,0|3,0,0]=4 686 B5R0.2 C=CCCNC MCULE-2124263362 [0,1,0,0,0,0|3,0,0]=4 687 B5R0.2 C=CCCNC MCULE-5024925990 [0,1,0,0,0,0|3,0,0]=4 688 B5R0.2 C=CCCOC MCULE-4681354270 [0,1,0,0,0,0|3,0,0]=4 689 B5R0.2 C=CCN=C=O MCULE-3142552406 [0,1,0,0,0,0|1,0,2]=4 690 B5R0.2 C=CCNC=O MCULE-1911798514 [0,1,0,0,0,0|2,0,1]=4 691 B5R0.2 C=CCNCC MCULE-6987567673 [0,1,0,0,0,0|3,0,0]=4 692 B5R0.2 C=CCNCC MCULE-8318544337 [0,1,0,0,0,0|3,0,0]=4 693 B5R0.2 C=CCOC=C MCULE-7085070702 [0,1,0,0,0,0|2,0,1]=4 694 B5R0.2 C=CCOC=O MCULE-4161785970 [0,1,0,0,0,0|1,0,1]=3 695 B5R0.2 C=CCOCC MCULE-4363356618 [0,1,0,0,0,0|2,0,0]=3 696 B5R0.2 C=CCOCCl MCULE-6656252526 [0,1,0,0,0,0|2,0,1]=4 697 B5R0.2 C=CCONC MCULE-4537899476 [0,1,0,0,0,0|1,0,2]=4 698 B5R0.2 C=CCONC MCULE-9645204142 [0,1,0,0,0,0|1,0,2]=4 699 B5R0.2 C=CCSCC MCULE-3816911529 [0,1,0,0,0,0|2,1,0]=4 700 B5R0.2 C=COCCC MCULE-4423853666 [0,1,0,0,0,0|2,0,0]=3 701 B5R0.2 C=COCCCl MCULE-7782311030 [0,1,0,0,0,0|2,0,0]=3 702 B5R0.2 C=COCCN MCULE-8052872924 [0,1,0,0,0,0|2,0,0]=3 703 B5R0.2 C=COCCN MCULE-8496820259 [0,1,0,0,0,0|2,0,0]=3 704 B5R0.2 C=COCCO MCULE-9383372818 [0,1,0,0,0,0|2,0,0]=3 705 B5R0.2 CC#CCC=O MCULE-6071390808 [0,1,0,0,0,0|2,0,1]=4 706 B5R0.2 CC#CCCBr MCULE-5650557113 [0,1,0,0,0,0|3,0,0]=4 707 B5R0.2 CC#CCCC MCULE-8179328151 [0,1,0,0,0,0|3,0,0]=4 708 B5R0.2 CC#CCCN MCULE-2130545109 [0,1,0,0,0,0|3,0,0]=4 709 B5R0.2 CC#CCCN MCULE-7156357315 [0,1,0,0,0,0|3,0,0]=4 710 B5R0.2 CC#CCCO MCULE-9400138491 [0,1,0,0,0,0|3,0,0]=4 711 B5R0.2 CC#CCNC MCULE-3549759323 [0,1,0,0,0,0|3,0,0]=4 712 B5R0.2 CC#CCNC MCULE-7250319597 [0,1,0,0,0,0|3,0,0]=4 713 B5R0.2 CC/C=C/C=O MCULE-5102906061 [0,1,0,0,0,0|2,0,0]=3 714 B5R0.2 CC/C=C/CC MCULE-6762040186 [0,1,0,0,0,0|3,0,0]=4 715 B5R0.2 CC/C=C\C#N MCULE-2648641382 [0,1,0,0,0,0|3,0,0]=4 716 B5R0.2 CC/C=C\CC MCULE-9418110460 [0,1,0,0,0,0|3,0,0]=4 717 B5R0.2 CC/C=C\CO MCULE-5480473249 [0,1,0,0,0,0|2,0,1]=4 718 B5R0.2 CC=CCCBr MCULE-7329159278 [0,1,0,0,0,0|3,0,0]=4 719 B5R0.2 CC=CCCC MCULE-8736231124 [0,1,0,0,0,0|3,0,0]=4 720 B5R0.2 CC=CCCN MCULE-5129102475 [0,1,0,0,0,0|3,0,0]=4 721 B5R0.2 CC=CCCN MCULE-8500001929 [0,1,0,0,0,0|3,0,0]=4 722 B5R0.2 CC=CCCO MCULE-4302367089 [0,1,0,0,0,0|3,0,0]=4 723 B5R0.2 CC=COCC MCULE-1473170404 [0,1,0,0,0,0|2,0,0]=3 724 B5R0.2 CCC#CC=O MCULE-3889262436 [0,1,0,0,0,0|2,0,0]=3 725 B5R0.2 CCC#CCBr MCULE-4725992084 [0,1,0,0,0,0|3,0,0]=4 726 B5R0.2 CCC#CCC MCULE-2027962178 [0,1,0,0,0,0|3,0,0]=4 727 B5R0.2 CCC#CCCl MCULE-7122423261 [0,1,0,0,0,0|3,0,0]=4 728 B5R0.2 CCC#CCN MCULE-8712641266 [0,1,0,0,0,0|3,0,0]=4 729 B5R0.2 CCC#CCO MCULE-8633965917 [0,1,0,0,0,0|2,0,1]=4 730 B5R0.2 CCC=CC#N MCULE-1091834842 [0,1,0,0,0,0|3,0,0]=4 731 B5R0.2 CCC=CC=O MCULE-1318250395 [0,1,0,0,0,0|2,0,0]=3 732 B5R0.2 CCC=CCBr MCULE-5326763881 [0,1,0,0,0,0|3,0,0]=4 733 B5R0.2 CCC=CCC MCULE-5435957422 [0,1,0,0,0,0|3,0,0]=4 734 B5R0.2 CCC=CCO MCULE-5633399984 [0,1,0,0,0,0|2,0,1]=4 735 B5R0.2 CCCC#CI MCULE-5016901652 [0,1,0,0,0,0|3,0,0]=4 736 B5R0.2 CCCC=NO MCULE-7364375780 [0,1,0,0,0,0|1,0,1]=3 737 B5R0.2 CCCCC#N MCULE-4015236167 [0,1,0,0,0,0|3,0,0]=4 738 B5R0.2 CCCCC=O MCULE-4736782822 [0,1,0,0,0,0|2,0,0]=3 739 B5R0.2 CCCCCBr MCULE-8513521912 [0,1,0,0,0,0|3,0,0]=4 740 B5R0.2 CCCCCC MCULE-3465692202 [0,1,0,0,0,0|3,0,0]=4 741 B5R0.2 CCCCCCl MCULE-4412759460 [0,1,0,0,0,0|3,0,0]=4 742 B5R0.2 CCCCCF MCULE-6399883281 [0,1,0,0,0,0|3,0,0]=4 743 B5R0.2 CCCCCI MCULE-4590300793 [0,1,0,0,0,0|3,0,0]=4 744 B5R0.2 CCCCCN MCULE-3371742982 [0,1,0,0,0,0|3,0,0]=4 745 B5R0.2 CCCCCN MCULE-4371067300 [0,1,0,0,0,0|3,0,0]=4 746 B5R0.2 CCCCCN MCULE-6547961798 [0,1,0,0,0,0|3,0,0]=4 747 B5R0.2 CCCCCN MCULE-7483248760 [0,1,0,0,0,0|3,0,0]=4 748 B5R0.2 CCCCCO MCULE-8714292632 [0,1,0,0,0,0|2,0,1]=4 749 B5R0.2 CCCCCS MCULE-5476379340 [0,1,0,0,0,0|2,1,0]=4 750 B5R0.2 CCCCNC MCULE-9321610906 [0,1,0,0,0,0|2,0,1]=4 751 B5R0.2 CCCCNN MCULE-6681305566 [0,1,0,0,0,0|2,0,1]=4 752 B5R0.2 CCCCNN MCULE-6890760890 [0,1,0,0,0,0|2,0,1]=4 753 B5R0.2 CCCCNN MCULE-7362497327 [0,1,0,0,0,0|2,0,1]=4 754 B5R0.2 CCCCNN MCULE-8463623644 [0,1,0,0,0,0|2,0,1]=4 755 B5R0.2 CCCCNO MCULE-1911206569 [0,1,0,0,0,0|1,0,2]=4 756 B5R0.2 CCCCNO MCULE-3820646216 [0,1,0,0,0,0|1,0,2]=4 757 B5R0.2 CCCCOC MCULE-9814272675 [0,1,0,0,0,0|2,0,1]=4 758 B5R0.2 CCCCON MCULE-7582349983 [0,1,0,0,0,0|2,0,1]=4 759 B5R0.2 CCCCON MCULE-8175627798 [0,1,0,0,0,0|2,0,1]=4 760 B5R0.2 CCCCSC MCULE-2799775567 [0,1,0,0,0,0|2,1,0]=4 761 B5R0.2 CCCN=C=O MCULE-9014468293 [0,1,0,0,0,0|1,0,0]=2 762 B5R0.2 CCCN=C=S MCULE-7947940355 [0,1,0,0,0,0|1,1,0]=3 763 B5R0.2 CCCNC=O MCULE-6344556391 [0,1,0,0,0,0|1,0,1]=3 764 B5R0.2 CCCNCC MCULE-7948828264 [0,1,0,0,0,0|2,0,1]=4 765 B5R0.2 CCCNCC MCULE-9107549207 [0,1,0,0,0,0|2,0,1]=4 766 B5R0.2 CCCOC=O MCULE-3133604529 [0,1,0,0,0,0|1,0,0]=2 767 B5R0.2 CCCOCBr MCULE-3585683043 [0,1,0,0,0,0|2,0,0]=3 768 B5R0.2 CCCOCC MCULE-9971916790 [0,1,0,0,0,0|2,0,0]=3 769 B5R0.2 CCCOCCl MCULE-1932627202 [0,1,0,0,0,0|2,0,0]=3 770 B5R0.2 CCCSC#N MCULE-9018157774 [0,1,0,0,0,0|2,1,0]=4 771 B5R0.2 CCCSCC MCULE-4547385568 [0,1,0,0,0,0|2,1,0]=4 772 B5R0.2 CCCSSC MCULE-3127072032 [0,1,0,0,0,0|2,1,0]=4 773 B5R0.2 CCNCC#N MCULE-8279629720 [0,1,0,0,0,0|3,0,0]=4 774 B5R0.2 CCNCCCl MCULE-2589770119 [0,1,0,0,0,0|3,0,0]=4 775 B5R0.2 CCNCCCl MCULE-3098032672 [0,1,0,0,0,0|3,0,0]=4 776 B5R0.2 CCNCCN MCULE-7854769899 [0,1,0,0,0,0|3,0,0]=4 777 B5R0.2 CCNCCO MCULE-2537734730 [0,1,0,0,0,0|2,0,1]=4 778 B5R0.2 CCNCCO MCULE-3738714907 [0,1,0,0,0,0|2,0,1]=4 779 B5R0.2 CCNNCC MCULE-4789314801 [0,1,0,0,0,0|2,0,1]=4 780 B5R0.2 CCNNCC MCULE-9060220585 [0,1,0,0,0,0|2,0,1]=4 781 B5R0.2 CCO/C=C\Br MCULE-7396084973 [0,1,0,0,0,0|2,0,0]=3 782 B5R0.2 CCOC=CBr MCULE-5241125671 [0,1,0,0,0,0|2,0,0]=3 783 B5R0.2 CCOCC#N MCULE-6709940440 [0,1,0,0,0,0|2,0,0]=3 784 B5R0.2 CCOCCBr MCULE-4818900555 [0,1,0,0,0,0|2,0,0]=3 785 B5R0.2 CCOCCCl MCULE-1290576729 [0,1,0,0,0,0|2,0,0]=3 786 B5R0.2 CCOCCI MCULE-1833092968 [0,1,0,0,0,0|2,0,0]=3 787 B5R0.2 CCOCCN MCULE-1254431240 [0,1,0,0,0,0|2,0,0]=3 788 B5R0.2 CCOCCN MCULE-4039110889 [0,1,0,0,0,0|2,0,0]=3 789 B5R0.2 CCOCCN MCULE-4400456933 [0,1,0,0,0,0|2,0,0]=3 790 B5R0.2 CCOCCO MCULE-4311513289 [0,1,0,0,0,0|1,0,1]=3 791 B5R0.2 CCOCCS MCULE-3968740645 [0,1,0,0,0,0|1,1,0]=3 792 B5R0.2 CCSCC#N MCULE-4093791055 [0,1,0,0,0,0|2,1,0]=4 793 B5R0.2 CCSCC=O MCULE-8069035019 [0,1,0,0,0,0|1,1,0]=3 794 B5R0.2 CCSCCBr MCULE-9449933342 [0,1,0,0,0,0|2,1,0]=4 795 B5R0.2 CCSCCCl MCULE-4057847237 [0,1,0,0,0,0|2,1,0]=4 796 B5R0.2 CCSCCN MCULE-3375644872 [0,1,0,0,0,0|2,1,0]=4 797 B5R0.2 CCSCCN MCULE-4466279976 [0,1,0,0,0,0|2,1,0]=4 798 B5R0.2 CCSCCO MCULE-3557086162 [0,1,0,0,0,0|1,1,1]=4 799 B5R0.2 CCSCCS MCULE-4583054157 [0,1,0,0,0,0|1,2,0]=4 800 B5R0.2 CCSSCC MCULE-7989926475 [0,1,0,0,0,0|2,1,0]=4 801 B5R0.2 CC[Se][Se]CC MCULE-2725282576 [0,1,0,0,0,0|2,1,0]=4 802 B5R0.2 CNCCC#N MCULE-6686234290 [0,1,0,0,0,0|3,0,0]=4 803 B5R0.2 CNCCCBr MCULE-3376600253 [0,1,0,0,0,0|2,0,1]=4 804 B5R0.2 CNCCCBr MCULE-6212326106 [0,1,0,0,0,0|2,0,1]=4 805 B5R0.2 CNCCCCl MCULE-1007719210 [0,1,0,0,0,0|2,0,1]=4 806 B5R0.2 CNCCCCl MCULE-6146901643 [0,1,0,0,0,0|2,0,1]=4 807 B5R0.2 CNCCCF MCULE-7647417887 [0,1,0,0,0,0|2,0,1]=4 808 B5R0.2 CNCCCN MCULE-1736081896 [0,1,0,0,0,0|2,0,1]=4 809 B5R0.2 CNCCCO MCULE-9530478547 [0,1,0,0,0,0|2,0,1]=4 810 B5R0.2 CNCCNC MCULE-1378979868 [0,1,0,0,0,0|2,0,1]=4 811 B5R0.2 CNCCNC MCULE-3281508478 [0,1,0,0,0,0|2,0,1]=4 812 B5R0.2 CNCCOC MCULE-2857904484 [0,1,0,0,0,0|2,0,1]=4 813 B5R0.2 CNCCOC MCULE-5342712496 [0,1,0,0,0,0|2,0,1]=4 814 B5R0.2 CNCCSC MCULE-2812984399 [0,1,0,0,0,0|2,0,1]=4 815 B5R0.2 CNCCSC MCULE-2942435951 [0,1,0,0,0,0|2,0,1]=4 816 B5R0.2 CNOCCN MCULE-3163962093 [0,1,0,0,0,0|1,0,1]=3 817 B5R0.2 CNOCCN MCULE-7379538500 [0,1,0,0,0,0|1,0,1]=3 818 B5R0.2 COCCC#N MCULE-3009737584 [0,1,0,0,0,0|3,0,0]=4 819 B5R0.2 COCCC=O MCULE-2812117208 [0,1,0,0,0,0|2,0,0]=3 820 B5R0.2 COCCCBr MCULE-6489536401 [0,1,0,0,0,0|3,0,0]=4 821 B5R0.2 COCCCCl MCULE-9192274624 [0,1,0,0,0,0|3,0,0]=4 822 B5R0.2 COCCCF MCULE-5055725246 [0,1,0,0,0,0|3,0,0]=4 823 B5R0.2 COCCCI MCULE-9111605439 [0,1,0,0,0,0|3,0,0]=4 824 B5R0.2 COCCCN MCULE-1421362990 [0,1,0,0,0,0|3,0,0]=4 825 B5R0.2 COCCCN MCULE-4783132205 [0,1,0,0,0,0|3,0,0]=4 826 B5R0.2 COCCCO MCULE-4041418048 [0,1,0,0,0,0|2,0,1]=4 827 B5R0.2 COCCCS MCULE-2371333731 [0,1,0,0,0,0|2,1,0]=4 828 B5R0.2 COCCNN MCULE-2086510453 [0,1,0,0,0,0|2,0,1]=4 829 B5R0.2 COCCNN MCULE-4830987822 [0,1,0,0,0,0|2,0,1]=4 830 B5R0.2 COCCNN MCULE-8361975855 [0,1,0,0,0,0|2,0,1]=4 831 B5R0.2 COCCOC MCULE-7572196731 [0,1,0,0,0,0|3,0,0]=4 832 B5R0.2 COCCON MCULE-3507489398 [0,1,0,0,0,0|3,0,0]=4 833 B5R0.2 COCCON MCULE-8506879697 [0,1,0,0,0,0|3,0,0]=4 834 B5R0.2 COCCSC MCULE-5362054021 [0,1,0,0,0,0|3,0,0]=4 835 B5R0.2 COCN=C=O MCULE-6951734265 [0,1,0,0,0,0|2,0,0]=3 836 B5R0.2 COCN=C=S MCULE-8646619442 [0,1,0,0,0,0|2,1,0]=4 837 B5R0.2 CONCCN MCULE-3332727097 [0,1,0,0,0,0|3,0,0]=4 838 B5R0.2 CONCCN MCULE-5066538639 [0,1,0,0,0,0|3,0,0]=4 839 B5R0.2 CONCCO MCULE-9787830121 [0,1,0,0,0,0|3,0,0]=4 840 B5R0.2 CSCCC#N MCULE-5755086116 [0,1,0,0,0,0|3,0,0]=4 841 B5R0.2 CSCCC=O MCULE-6273241704 [0,1,0,0,0,0|2,0,0]=3 842 B5R0.2 CSCCCBr MCULE-8399851816 [0,1,0,0,0,0|3,0,0]=4 843 B5R0.2 CSCCCCl MCULE-1829120476 [0,1,0,0,0,0|3,0,0]=4 844 B5R0.2 CSCCCN MCULE-1030938424 [0,1,0,0,0,0|3,0,0]=4 845 B5R0.2 CSCCCN MCULE-4664984921 [0,1,0,0,0,0|3,0,0]=4 846 B5R0.2 CSCCCO MCULE-9232413185 [0,1,0,0,0,0|2,0,1]=4 847 B5R0.2 CSCCCS MCULE-8405766359 [0,1,0,0,0,0|2,1,0]=4 848 B5R0.2 CSCCON MCULE-9125601960 [0,1,0,0,0,0|3,0,0]=4 849 B5R0.2 CSSCCN MCULE-7065189564 [0,1,0,0,0,0|2,1,0]=4 850 B5R0.2 CSSCCN MCULE-8654200268 [0,1,0,0,0,0|2,1,0]=4 851 B5R0.2 ClCCCCBr MCULE-7973194927 [0,1,0,0,0,0|3,0,0]=4 852 B5R0.2 ClCCCCCl MCULE-4863501782 [0,1,0,0,0,0|3,0,0]=4 853 B5R0.2 ClCCCCI MCULE-4303507089 [0,1,0,0,0,0|3,0,0]=4 854 B5R0.2 ClCCOCCl MCULE-7585684590 [0,1,0,0,0,0|2,0,0]=3 855 B5R0.2 ClCOCCBr MCULE-6843473950 [0,1,0,0,0,0|2,0,0]=3 856 B5R0.2 FCCCCBr MCULE-8408956872 [0,1,0,0,0,0|3,0,0]=4 857 B5R0.2 FCCCCF MCULE-1347438150 [0,1,0,0,0,0|3,0,0]=4 858 B5R0.2 FCCN=C=S MCULE-4106769677 [0,1,0,0,0,0|2,1,0]=4 859 B5R0.2 ICCCCI MCULE-1390457250 [0,1,0,0,0,0|3,0,0]=4 860 B5R0.2 N#CCCC=O MCULE-9521735106 [0,1,0,0,0,0|2,0,1]=4 861 B5R0.2 N#CCCCBr MCULE-2664469446 [0,1,0,0,0,0|3,0,0]=4 862 B5R0.2 N#CCCCCl MCULE-3310172135 [0,1,0,0,0,0|3,0,0]=4 863 B5R0.2 N#CCCCF MCULE-3514322336 [0,1,0,0,0,0|3,0,0]=4 864 B5R0.2 N#CCCCI MCULE-7661529037 [0,1,0,0,0,0|3,0,0]=4 865 B5R0.2 N#CCCCN MCULE-7159177087 [0,1,0,0,0,0|3,0,0]=4 866 B5R0.2 N#CCCCN MCULE-8406710235 [0,1,0,0,0,0|3,0,0]=4 867 B5R0.2 N#CCCCO MCULE-2108386837 [0,1,0,0,0,0|3,0,0]=4 868 B5R0.2 N#CCN=C=O MCULE-2627108668 [0,1,0,0,0,0|2,0,1]=4 869 B5R0.2 N#CCOC=O MCULE-4453241991 [0,1,0,0,0,0|1,0,1]=3 870 B5R0.2 N#CSCCCl MCULE-1181766006 [0,1,0,0,0,0|2,1,0]=4 871 B5R0.2 N#N=NCCBr MCULE-5285576727 [0,1,0,0,0,0|2,0,1]=4 872 B5R0.2 N#N=NCCCl MCULE-2902338750 [0,1,0,0,0,0|2,0,1]=4 873 B5R0.2 N#N=NCCF MCULE-8153375666 [0,1,0,0,0,0|2,0,1]=4 874 B5R0.2 N#N=NCCI MCULE-6126000950 [0,1,0,0,0,0|2,0,1]=4 875 B5R0.2 N#N=NCCN MCULE-2129393630 [0,1,0,0,0,0|2,0,1]=4 876 B5R0.2 N#N=NCCN MCULE-2260153271 [0,1,0,0,0,0|2,0,1]=4 877 B5R0.2 N#N=NCCO MCULE-6147827656 [0,1,0,0,0,0|2,0,1]=4 878 B5R0.2 NCCCCBr MCULE-7095299053 [0,1,0,0,0,0|3,0,0]=4 879 B5R0.2 NCCCCBr MCULE-7716027825 [0,1,0,0,0,0|3,0,0]=4 880 B5R0.2 NCCCCCl MCULE-8484381726 [0,1,0,0,0,0|3,0,0]=4 881 B5R0.2 NCCCCCl MCULE-9917306082 [0,1,0,0,0,0|3,0,0]=4 882 B5R0.2 NCCCCF MCULE-4260727945 [0,1,0,0,0,0|3,0,0]=4 883 B5R0.2 NCCCCF MCULE-7716720921 [0,1,0,0,0,0|3,0,0]=4 884 B5R0.2 NCCCCN MCULE-3098044935 [0,1,0,0,0,0|3,0,0]=4 885 B5R0.2 NCCCCN MCULE-7898833229 [0,1,0,0,0,0|3,0,0]=4 886 B5R0.2 NCCCCN MCULE-8029479697 [0,1,0,0,0,0|3,0,0]=4 887 B5R0.2 NCCCCN MCULE-8509656776 [0,1,0,0,0,0|3,0,0]=4 888 B5R0.2 NCCCCO MCULE-7395674091 [0,1,0,0,0,0|2,0,1]=4 889 B5R0.2 NCCCCS MCULE-4353910418 [0,1,0,0,0,0|2,1,0]=4 890 B5R0.2 NCCCCS MCULE-9812416858 [0,1,0,0,0,0|2,1,0]=4 891 B5R0.2 NCCCNN MCULE-7657257572 [0,1,0,0,0,0|2,0,1]=4 892 B5R0.2 NCCCON MCULE-1071170242 [0,1,0,0,0,0|3,0,0]=4 893 B5R0.2 NCCCON MCULE-7767315563 [0,1,0,0,0,0|3,0,0]=4 894 B5R0.2 NNCCCO MCULE-5557482626 [0,1,0,0,0,0|2,0,1]=4 895 B5R0.2 NNCCCO MCULE-7351853032 [0,1,0,0,0,0|2,0,1]=4 896 B5R0.2 NNCCCO MCULE-7919314403 [0,1,0,0,0,0|2,0,1]=4 897 B5R0.2 NOCCCO MCULE-1072312935 [0,1,0,0,0,0|3,0,0]=4 898 B5R0.2 NOCCCO MCULE-3715520109 [0,1,0,0,0,0|3,0,0]=4 899 B5R0.2 NOCCCS MCULE-2063976508 [0,1,0,0,0,0|3,0,0]=4 900 B5R0.2 NOCCCS MCULE-3464018652 [0,1,0,0,0,0|3,0,0]=4 901 B5R0.2 O=C=NCCBr MCULE-9707894644 [0,1,0,0,0,0|2,0,0]=3 902 B5R0.2 O=C=NCCCl MCULE-8919918461 [0,1,0,0,0,0|2,0,0]=3 903 B5R0.2 O=CCCC=O MCULE-3362810468 [0,1,0,0,0,0|2,0,1]=4 904 B5R0.2 O=CCCC=O MCULE-3813951568 [0,1,0,0,0,0|2,0,1]=4 905 B5R0.2 O=CCCCBr MCULE-7239613396 [0,1,0,0,0,0|2,0,0]=3 906 B5R0.2 O=CCCCCl MCULE-3011225716 [0,1,0,0,0,0|2,0,0]=3 907 B5R0.2 O=CCCCI MCULE-3153720790 [0,1,0,0,0,0|2,0,0]=3 908 B5R0.2 O=CCCCO MCULE-8728420992 [0,1,0,0,0,0|2,0,0]=3 909 B5R0.2 O=CNCCO MCULE-3688614090 [0,1,0,0,0,0|2,0,0]=3 910 B5R0.2 O=COCCO MCULE-1922672843 [0,1,0,0,0,0|1,0,0]=2 911 B5R0.2 OC=CCCBr MCULE-3964604828 [0,1,0,0,0,0|2,0,1]=4 912 B5R0.2 OC=CCCBr MCULE-5728835735 [0,1,0,0,0,0|2,0,1]=4 913 B5R0.2 OCCCCBr MCULE-9231591925 [0,1,0,0,0,0|2,0,1]=4 914 B5R0.2 OCCCCCl MCULE-3507644812 [0,1,0,0,0,0|2,0,1]=4 915 B5R0.2 OCCCCF MCULE-9242285588 [0,1,0,0,0,0|2,0,1]=4 916 B5R0.2 OCCCCI MCULE-8723720522 [0,1,0,0,0,0|2,0,1]=4 917 B5R0.2 OCCCCO MCULE-2010022287 [0,1,0,0,0,0|2,0,1]=4 918 B5R0.2 OCCCCO MCULE-6551106098 [0,1,0,0,0,0|2,0,1]=4 919 B5R0.2 OCCCCS MCULE-8169490949 [0,1,0,0,0,0|2,0,1]=4 920 B5R0.2 OCCNCO MCULE-2141033453 [0,1,0,0,0,0|2,0,1]=4 921 B5R0.2 S=C=NCCBr MCULE-9583896675 [0,1,0,0,0,0|2,1,0]=4 922 B5R0.2 S=C=NCCCl MCULE-3919932972 [0,1,0,0,0,0|2,1,0]=4 923 B5R0.2 SCCCCS MCULE-6695609899 [0,1,0,0,0,0|2,1,0]=4 924 B5R0.3 C#CC(=O)CC MCULE-1563732373 [0,1,0,0,0,0|3,0,0]=4 925 B5R0.3 C#CC(N)CC MCULE-2327605941 [0,1,0,0,0,0|3,0,0]=4 926 B5R0.3 C#CC(N)CC MCULE-3572771620 [0,1,0,0,0,0|3,0,0]=4 927 B5R0.3 C#CC(O)CC MCULE-9890863731 [0,1,0,0,0,0|3,0,0]=4 928 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [0,1,0,0,0,0|3,0,0]=4 929 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [0,1,0,0,0,0|2,0,1]=4 930 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [0,1,0,0,0,0|3,0,0]=4 931 B5R0.3 C/N=C(\N)/SC MCULE-1114021101 [0,1,0,0,0,0|3,0,0]=4 932 B5R0.3 C/N=C(\N)/SC MCULE-4249574209 [0,1,0,0,0,0|3,0,0]=4 933 B5R0.3 C=C(C=O)CC MCULE-2875154067 [0,1,0,0,0,0|2,0,0]=3 934 B5R0.3 C=C(CC)CBr MCULE-1652422688 [0,1,0,0,0,0|3,0,0]=4 935 B5R0.3 C=C(CC)CC MCULE-9174509622 [0,1,0,0,0,0|3,0,0]=4 936 B5R0.3 C=C(CC)CN MCULE-2269385026 [0,1,0,0,0,0|3,0,0]=4 937 B5R0.3 C=C(CC)CN MCULE-3033447984 [0,1,0,0,0,0|3,0,0]=4 938 B5R0.3 C=C(CC)CO MCULE-8127766352 [0,1,0,0,0,0|2,0,1]=4 939 B5R0.3 C=CC(=O)CC MCULE-7277696617 [0,1,0,0,0,0|3,0,0]=4 940 B5R0.3 C=CC(C)CC MCULE-8112547661 [0,1,0,0,0,0|3,0,0]=4 941 B5R0.3 C=CC(N)CC MCULE-6270835453 [0,1,0,0,0,0|3,0,0]=4 942 B5R0.3 C=CC(N)CC MCULE-7920121163 [0,1,0,0,0,0|3,0,0]=4 943 B5R0.3 C=CC(O)CC MCULE-2794806228 [0,1,0,0,0,0|3,0,0]=4 944 B5R0.3 CC(=NO)CS MCULE-9694340512 [0,1,0,0,0,0|2,0,1]=4 945 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [0,1,0,0,0,0|1,0,1]=3 946 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [0,1,0,0,0,0|1,0,1]=3 947 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [0,1,0,0,0,0|1,0,1]=3 948 B5R0.3 CC=C(Br)C=O MCULE-4703333701 [0,1,0,0,0,0|2,0,1]=4 949 B5R0.3 CC=C(C)C=O MCULE-9453566957 [0,1,0,0,0,0|2,0,1]=4 950 B5R0.3 CC=C(C)CC MCULE-5790494157 [0,1,0,0,0,0|3,0,0]=4 951 B5R0.3 CCC(=N)OC MCULE-4123543795 [0,1,0,0,0,0|3,0,0]=4 952 B5R0.3 CCC(=N)OC MCULE-5346320805 [0,1,0,0,0,0|3,0,0]=4 953 B5R0.3 CCC(=NO)C MCULE-1859652505 [0,1,0,0,0,0|1,0,1]=3 954 B5R0.3 CCC(=O)CBr MCULE-7825573294 [0,1,0,0,0,0|3,0,0]=4 955 B5R0.3 CCC(=O)CC MCULE-8236549739 [0,1,0,0,0,0|3,0,0]=4 956 B5R0.3 CCC(=O)CCl MCULE-9019890380 [0,1,0,0,0,0|3,0,0]=4 957 B5R0.3 CCC(=O)CN MCULE-1863418812 [0,1,0,0,0,0|3,0,0]=4 958 B5R0.3 CCC(=O)CN MCULE-5831164340 [0,1,0,0,0,0|3,0,0]=4 959 B5R0.3 CCC(=O)CO MCULE-8674894820 [0,1,0,0,0,0|2,0,1]=4 960 B5R0.3 CCC(=O)NC MCULE-5612060170 [0,1,0,0,0,0|2,0,1]=4 961 B5R0.3 CCC(=O)NN MCULE-1803705917 [0,1,0,0,0,0|2,0,1]=4 962 B5R0.3 CCC(=O)NO MCULE-1033164448 [0,1,0,0,0,0|1,0,2]=4 963 B5R0.3 CCC(=O)OC MCULE-7384824725 [0,1,0,0,0,0|3,0,0]=4 964 B5R0.3 CCC(=O)SC MCULE-9712192191 [0,1,0,0,0,0|3,0,0]=4 965 B5R0.3 CCC(Br)C#N MCULE-4015907163 [0,1,0,0,0,0|3,0,0]=4 966 B5R0.3 CCC(Br)C=O MCULE-3064952987 [0,1,0,0,0,0|2,0,0]=3 967 B5R0.3 CCC(Br)CBr MCULE-5254958560 [0,1,0,0,0,0|3,0,0]=4 968 B5R0.3 CCC(Br)CC MCULE-7435628721 [0,1,0,0,0,0|3,0,0]=4 969 B5R0.3 CCC(Br)CO MCULE-7211805716 [0,1,0,0,0,0|2,0,1]=4 970 B5R0.3 CCC(C)C#N MCULE-6204122967 [0,1,0,0,0,0|3,0,0]=4 971 B5R0.3 CCC(C)C=O MCULE-2523669899 [0,1,0,0,0,0|2,0,0]=3 972 B5R0.3 CCC(C)CBr MCULE-5451416952 [0,1,0,0,0,0|3,0,0]=4 973 B5R0.3 CCC(C)CC MCULE-2542807917 [0,1,0,0,0,0|3,0,0]=4 974 B5R0.3 CCC(C)CCl MCULE-7450386476 [0,1,0,0,0,0|3,0,0]=4 975 B5R0.3 CCC(C)CI MCULE-5444509280 [0,1,0,0,0,0|3,0,0]=4 976 B5R0.3 CCC(C)CN MCULE-2777327284 [0,1,0,0,0,0|3,0,0]=4 977 B5R0.3 CCC(C)CN MCULE-7014901600 [0,1,0,0,0,0|3,0,0]=4 978 B5R0.3 CCC(C)CO MCULE-6521026296 [0,1,0,0,0,0|2,0,1]=4 979 B5R0.3 CCC(C)CS MCULE-7795095685 [0,1,0,0,0,0|2,1,0]=4 980 B5R0.3 CCC(C)NC MCULE-2676584804 [0,1,0,0,0,0|2,0,1]=4 981 B5R0.3 CCC(C)NC MCULE-6158046887 [0,1,0,0,0,0|2,0,1]=4 982 B5R0.3 CCC(C)NN MCULE-6074476998 [0,1,0,0,0,0|2,0,1]=4 983 B5R0.3 CCC(C)NN MCULE-8130021960 [0,1,0,0,0,0|2,0,1]=4 984 B5R0.3 CCC(C)NN MCULE-8519369369 [0,1,0,0,0,0|2,0,1]=4 985 B5R0.3 CCC(C)NO MCULE-1247092627 [0,1,0,0,0,0|1,0,2]=4 986 B5R0.3 CCC(C)NO MCULE-6169819668 [0,1,0,0,0,0|1,0,2]=4 987 B5R0.3 CCC(C)OC MCULE-7354431606 [0,1,0,0,0,0|3,0,0]=4 988 B5R0.3 CCC(C)ON MCULE-2907890438 [0,1,0,0,0,0|3,0,0]=4 989 B5R0.3 CCC(C)ON MCULE-4364205813 [0,1,0,0,0,0|3,0,0]=4 990 B5R0.3 CCC(Cl)C#N MCULE-7185233128 [0,1,0,0,0,0|3,0,0]=4 991 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [0,1,0,0,0,0|2,0,0]=3 992 B5R0.3 CCC(Cl)CCl MCULE-5122022797 [0,1,0,0,0,0|3,0,0]=4 993 B5R0.3 CCC(Cl)CO MCULE-1756262629 [0,1,0,0,0,0|2,0,1]=4 994 B5R0.3 CCC(F)CBr MCULE-3226052264 [0,1,0,0,0,0|3,0,0]=4 995 B5R0.3 CCC(F)CN MCULE-1291385596 [0,1,0,0,0,0|3,0,0]=4 996 B5R0.3 CCC(F)CN MCULE-7421331323 [0,1,0,0,0,0|3,0,0]=4 997 B5R0.3 CCC(I)CC MCULE-1119844552 [0,1,0,0,0,0|3,0,0]=4 998 B5R0.3 CCC(N)C#N MCULE-1350483203 [0,1,0,0,0,0|3,0,0]=4 999 B5R0.3 CCC(N)C#N MCULE-3867024162 [0,1,0,0,0,0|3,0,0]=4 1000 B5R0.3 CCC(N)CBr MCULE-3567691924 [0,1,0,0,0,0|3,0,0]=4 1001 B5R0.3 CCC(N)CC MCULE-4261937519 [0,1,0,0,0,0|3,0,0]=4 1002 B5R0.3 CCC(N)CC MCULE-5899128891 [0,1,0,0,0,0|3,0,0]=4 1003 B5R0.3 CCC(N)CN MCULE-6911484065 [0,1,0,0,0,0|3,0,0]=4 1004 B5R0.3 CCC(N)CN MCULE-8376506697 [0,1,0,0,0,0|3,0,0]=4 1005 B5R0.3 CCC(N)CO MCULE-1135809021 [0,1,0,0,0,0|2,0,1]=4 1006 B5R0.3 CCC(N)CO MCULE-7588854111 [0,1,0,0,0,0|2,0,1]=4 1007 B5R0.3 CCC(O)C#N MCULE-5389816542 [0,1,0,0,0,0|3,0,0]=4 1008 B5R0.3 CCC(O)CBr MCULE-4205031860 [0,1,0,0,0,0|3,0,0]=4 1009 B5R0.3 CCC(O)CC MCULE-5553645045 [0,1,0,0,0,0|3,0,0]=4 1010 B5R0.3 CCC(O)CCl MCULE-8359810208 [0,1,0,0,0,0|3,0,0]=4 1011 B5R0.3 CCC(O)CN MCULE-5197026448 [0,1,0,0,0,0|3,0,0]=4 1012 B5R0.3 CCC(O)CO MCULE-2488753438 [0,1,0,0,0,0|2,0,1]=4 1013 B5R0.3 CCC(O)CO MCULE-7297282094 [0,1,0,0,0,0|2,0,1]=4 1014 B5R0.3 CCC(S)CC MCULE-2556259434 [0,1,0,0,0,0|3,0,0]=4 1015 B5R0.3 CCC(S)CS MCULE-9332449950 [0,1,0,0,0,0|2,1,0]=4 1016 B5R0.3 CCC([NH3+])CBr MCULE-6971158198 [0,1,0,0,0,0|3,0,0]=4 1017 B5R0.3 CCN(C)C#N MCULE-1247613129 [0,1,0,0,0,0|3,0,0]=4 1018 B5R0.3 CCN(C)C=O MCULE-2308681384 [0,1,0,0,0,0|2,0,0]=3 1019 B5R0.3 CCN(C)CC MCULE-7207964917 [0,1,0,0,0,0|3,0,0]=4 1020 B5R0.3 CCN(N)CC MCULE-9853386945 [0,1,0,0,0,0|3,0,0]=4 1021 B5R0.3 CCN(N)CC MCULE-9962617398 [0,1,0,0,0,0|3,0,0]=4 1022 B5R0.3 CCN(O)CC MCULE-6022935768 [0,1,0,0,0,0|3,0,0]=4 1023 B5R0.3 CCP(=O)CC MCULE-2216184595 [0,1,0,0,0,0|3,0,0]=4 1024 B5R0.3 CCP(Cl)CC MCULE-4484529264 [0,1,0,0,0,0|3,0,0]=4 1025 B5R0.3 CCS(=O)CC MCULE-5102735179 [0,1,0,0,0,0|2,1,0]=4 1026 B5R0.3 CC[C@@H](C)CBr MCULE-5675886072 [0,1,0,0,0,0|3,0,0]=4 1027 B5R0.3 CC[C@@H](C)CN MCULE-7612408107 [0,1,0,0,0,0|3,0,0]=4 1028 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [0,1,0,0,0,0|2,0,1]=4 1029 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [0,1,0,0,0,0|2,0,1]=4 1030 B5R0.3 CC[C@@H](N)C#N MCULE-3696119254 [0,1,0,0,0,0|3,0,0]=4 1031 B5R0.3 CC[C@@H](N)C#N MCULE-5586041766 [0,1,0,0,0,0|3,0,0]=4 1032 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [0,1,0,0,0,0|2,0,1]=4 1033 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [0,1,0,0,0,0|2,0,1]=4 1034 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [0,1,0,0,0,0|3,0,0]=4 1035 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [0,1,0,0,0,0|3,0,0]=4 1036 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [0,1,0,0,0,0|2,0,1]=4 1037 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [0,1,0,0,0,0|2,0,1]=4 1038 B5R0.3 CC[C@H](C)C#N MCULE-9118306872 [0,1,0,0,0,0|3,0,0]=4 1039 B5R0.3 CC[C@H](C)CBr MCULE-3263714447 [0,1,0,0,0,0|3,0,0]=4 1040 B5R0.3 CC[C@H](C)CBr MCULE-3384648570 [0,1,0,0,0,0|3,0,0]=4 1041 B5R0.3 CC[C@H](C)CCl MCULE-6795758745 [0,1,0,0,0,0|3,0,0]=4 1042 B5R0.3 CC[C@H](C)CCl MCULE-8147276830 [0,1,0,0,0,0|3,0,0]=4 1043 B5R0.3 CC[C@H](C)CI MCULE-9690776923 [0,1,0,0,0,0|3,0,0]=4 1044 B5R0.3 CC[C@H](C)CN MCULE-1380819951 [0,1,0,0,0,0|3,0,0]=4 1045 B5R0.3 CC[C@H](C)CN MCULE-1396096112 [0,1,0,0,0,0|3,0,0]=4 1046 B5R0.3 CC[C@H](C)CN MCULE-2971933862 [0,1,0,0,0,0|3,0,0]=4 1047 B5R0.3 CC[C@H](C)CN MCULE-3698084674 [0,1,0,0,0,0|3,0,0]=4 1048 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [0,1,0,0,0,0|2,0,1]=4 1049 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [0,1,0,0,0,0|2,0,1]=4 1050 B5R0.3 CC[C@H](N)C#N MCULE-4431283179 [0,1,0,0,0,0|3,0,0]=4 1051 B5R0.3 CC[C@H](N)C#N MCULE-8842235277 [0,1,0,0,0,0|3,0,0]=4 1052 B5R0.3 CC[C@H](N)CF MCULE-3646304583 [0,1,0,0,0,0|3,0,0]=4 1053 B5R0.3 CC[C@H](N)CF MCULE-4493834638 [0,1,0,0,0,0|3,0,0]=4 1054 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [0,1,0,0,0,0|2,0,1]=4 1055 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [0,1,0,0,0,0|2,0,1]=4 1056 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [0,1,0,0,0,0|3,0,0]=4 1057 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [0,1,0,0,0,0|2,0,1]=4 1058 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [0,1,0,0,0,0|2,0,1]=4 1059 B5R0.3 COC(=O)C=O MCULE-2685327079 [0,1,0,0,0,0|3,0,0]=4 1060 B5R0.3 CON(C)C=O MCULE-6743121315 [0,1,0,0,0,0|3,0,0]=4 1061 B5R0.3 CS/C(=N/O)/C MCULE-8496912522 [0,1,0,0,0,0|2,0,1]=4 1062 B5R0.3 CS/C(=N\N)/N MCULE-2245524081 [0,1,0,0,0,0|3,0,0]=4 1063 B5R0.3 CS/C(=N\N)/N MCULE-6241847719 [0,1,0,0,0,0|3,0,0]=4 1064 B5R0.3 CSC(=NO)C MCULE-1500524467 [0,1,0,0,0,0|2,0,1]=4 1065 B5R0.3 N/C(=N/O)/CF MCULE-8149459701 [0,1,0,0,0,0|2,0,1]=4 1066 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [0,1,0,0,0,0|2,0,1]=4 1067 B5R0.3 N/C(=N\O)/CCl MCULE-4486676288 [0,1,0,0,0,0|2,0,1]=4 1068 B5R0.3 O=CC(=O)CO MCULE-7273475675 [0,1,0,0,0,0|3,0,0]=4 1069 B5R0.3 O=CC(O)CO MCULE-9581740191 [0,1,0,0,0,0|3,0,0]=4 1070 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [0,1,0,0,0,0|3,0,0]=4 1071 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [0,1,0,0,0,0|3,0,0]=4 1072 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [0,1,0,0,0,0|3,0,0]=4 1073 B5R1.1 B1CCOO1 MCULE-4859234466 [0,0,0,1,0,0|2,0,0]=3 1074 B5R1.1 C1=CCCC1 MCULE-8785635218 [0,0,0,1,0,0|3,0,0]=4 1075 B5R1.1 C1=CCOC1 MCULE-1252378718 [0,0,0,1,0,0|2,0,1]=4 1076 B5R1.1 C1=COCC1 MCULE-7714726225 [0,0,0,1,0,0|2,0,0]=3 1077 B5R1.1 C1=CON=C1 MCULE-4177650025 [0,0,0,1,0,0|1,0,2]=4 1078 B5R1.1 C1=NCCN1 MCULE-6281004177 [0,0,0,1,0,0|3,0,0]=4 1079 B5R1.1 C1=NNCC1 MCULE-2270087414 [0,0,0,1,0,0|2,0,0]=3 1080 B5R1.1 C1CCNC1 MCULE-2816679267 [0,0,0,1,0,0|2,0,1]=4 1081 B5R1.1 C1CCNC1 MCULE-8439725600 [0,0,0,1,0,0|2,0,1]=4 1082 B5R1.1 C1CCNC1 MCULE-8653165010 [0,0,0,1,0,0|2,0,1]=4 1083 B5R1.1 C1CCNC1 MCULE-9053007443 [0,0,0,1,0,0|2,0,1]=4 1084 B5R1.1 C1CCOC1 MCULE-3873245085 [0,0,0,1,0,0|2,0,0]=3 1085 B5R1.1 C1CCSC1 MCULE-4519380555 [0,0,0,1,0,0|2,1,0]=4 1086 B5R1.1 C1CNCN1 MCULE-6666768806 [0,0,0,1,0,0|3,0,0]=4 1087 B5R1.1 C1CNNC1 MCULE-9192384720 [0,0,0,1,0,0|2,0,1]=4 1088 B5R1.1 C1CNNC1 MCULE-9418244562 [0,0,0,1,0,0|2,0,1]=4 1089 B5R1.1 C1CNOC1 MCULE-3922840312 [0,0,0,1,0,0|1,0,1]=3 1090 B5R1.1 C1CNOC1 MCULE-6084499894 [0,0,0,1,0,0|1,0,1]=3 1091 B5R1.1 C1COCN1 MCULE-4693733872 [0,0,0,1,0,0|2,0,0]=3 1092 B5R1.1 C1COCO1 MCULE-3967810235 [0,0,0,1,0,0|1,0,1]=3 1093 B5R1.1 C1CSCN1 MCULE-1445529876 [0,0,0,1,0,0|2,1,0]=4 1094 B5R1.1 C1CSCN1 MCULE-8646299838 [0,0,0,1,0,0|2,1,0]=4 1095 B5R1.1 C1CSCS1 MCULE-2954642463 [0,0,0,1,0,0|1,2,0]=4 1096 B5R1.1 C1N=NNN1 MCULE-3350294262 [0,0,0,1,0,0|3,0,0]=4 1097 B5R1.2 BrC1=CCC1 MCULE-7839710306 [0,0,0,1,0,0|3,0,0]=4 1098 B5R1.2 BrC1CCC1 MCULE-3713567804 [0,0,0,1,0,0|3,0,0]=4 1099 B5R1.2 C=C1CCC1 MCULE-8318650413 [0,0,0,1,0,0|3,0,0]=4 1100 B5R1.2 CC1CCN1 MCULE-7952714343 [0,0,0,1,0,0|3,0,0]=4 1101 B5R1.2 CC1CCN1 MCULE-9084374728 [0,0,0,1,0,0|3,0,0]=4 1102 B5R1.2 CC1CNC1 MCULE-3977066574 [0,0,0,1,0,0|2,0,1]=4 1103 B5R1.2 CC1CNC1 MCULE-7868611457 [0,0,0,1,0,0|2,0,1]=4 1104 B5R1.2 C[C@@H]1CCN1 MCULE-1326888606 [0,0,0,1,0,0|3,0,0]=4 1105 B5R1.2 C[C@@H]1CCN1 MCULE-4242598105 [0,0,0,1,0,0|3,0,0]=4 1106 B5R1.2 C[C@@H]1CCN1 MCULE-7982357684 [0,0,0,1,0,0|3,0,0]=4 1107 B5R1.2 C[C@@H]1CCN1 MCULE-9443505478 [0,0,0,1,0,0|3,0,0]=4 1108 B5R1.2 C[C@H]1CCN1 MCULE-3178162849 [0,0,0,1,0,0|3,0,0]=4 1109 B5R1.2 C[C@H]1CCN1 MCULE-4001397038 [0,0,0,1,0,0|3,0,0]=4 1110 B5R1.2 C[C@H]1CCN1 MCULE-4361200248 [0,0,0,1,0,0|3,0,0]=4 1111 B5R1.2 C[C@H]1CCN1 MCULE-6534579029 [0,0,0,1,0,0|3,0,0]=4 1112 B5R1.2 ClC1CCC1 MCULE-2602937313 [0,0,0,1,0,0|3,0,0]=4 1113 B5R1.2 IC1CCC1 MCULE-3890796264 [0,0,0,1,0,0|3,0,0]=4 1114 B5R1.2 NC1CCC1 MCULE-7511834789 [0,0,0,1,0,0|3,0,0]=4 1115 B5R1.2 NC1CCC1 MCULE-9118406840 [0,0,0,1,0,0|3,0,0]=4 1116 B5R1.2 NN1CCC1 MCULE-8176731673 [0,0,0,1,0,0|2,0,1]=4 1117 B5R1.2 NN1CCC1 MCULE-8382619719 [0,0,0,1,0,0|2,0,1]=4 1118 B5R1.2 O=C1CCC1 MCULE-4870967355 [0,0,0,1,0,0|2,0,0]=3 1119 B5R1.2 O=C1CCN1 MCULE-9053067221 [0,0,0,1,0,0|2,0,0]=3 1120 B5R1.2 O=C1CCO1 MCULE-1277069147 [0,0,0,1,0,0|1,0,0]=2 1121 B5R1.2 O=C1CNC1 MCULE-5171659870 [0,0,0,1,0,0|3,0,0]=4 1122 B5R1.2 O=C1CNC1 MCULE-8293494956 [0,0,0,1,0,0|3,0,0]=4 1123 B5R1.2 O=C1COC1 MCULE-6847248632 [0,0,0,1,0,0|3,0,0]=4 1124 B5R1.2 O=C1CSC1 MCULE-4436071261 [0,0,0,1,0,0|3,0,0]=4 1125 B5R1.2 OC1CCC1 MCULE-2856311430 [0,0,0,1,0,0|2,0,1]=4 1126 B5R1.2 SC1CCC1 MCULE-1779239394 [0,0,0,1,0,0|2,1,0]=4 1127 B5R1.3 BrCC1CC1 MCULE-6057571576 [0,0,0,1,0,0|3,0,0]=4 1128 B5R1.3 C#CC1CC1 MCULE-8413731516 [0,0,0,1,0,0|3,0,0]=4 1129 B5R1.3 C=CC1CC1 MCULE-4323158851 [0,0,0,1,0,0|3,0,0]=4 1130 B5R1.3 CCC1CO1 MCULE-4316722229 [0,0,0,1,0,0|2,0,1]=4 1131 B5R1.3 CCC1CO1 MCULE-8341828978 [0,0,0,1,0,0|2,0,1]=4 1132 B5R1.3 CC[C@@H]1CO1 MCULE-4349820919 [0,0,0,1,0,0|2,0,1]=4 1133 B5R1.3 CC[C@@H]1CO1 MCULE-5929218989 [0,0,0,1,0,0|2,0,1]=4 1134 B5R1.3 CC[C@H]1CO1 MCULE-3647278168 [0,0,0,1,0,0|2,0,1]=4 1135 B5R1.3 CC[C@H]1CO1 MCULE-4369524443 [0,0,0,1,0,0|2,0,1]=4 1136 B5R1.3 CNC1CC1 MCULE-4055097650 [0,0,0,1,0,0|2,0,1]=4 1137 B5R1.3 CNC1CC1 MCULE-8040280524 [0,0,0,1,0,0|2,0,1]=4 1138 B5R1.3 ClCC1CC1 MCULE-3906493674 [0,0,0,1,0,0|3,0,0]=4 1139 B5R1.3 FNC1CC1 MCULE-4155496114 [0,0,0,1,0,0|2,0,1]=4 1140 B5R1.3 ICC1CC1 MCULE-2390979991 [0,0,0,1,0,0|3,0,0]=4 1141 B5R1.3 N#CC1CC1 MCULE-1838359731 [0,0,0,1,0,0|3,0,0]=4 1142 B5R1.3 NCC1CC1 MCULE-5832294538 [0,0,0,1,0,0|3,0,0]=4 1143 B5R1.3 NCC1CC1 MCULE-9914994928 [0,0,0,1,0,0|3,0,0]=4 1144 B5R1.3 NNC1CC1 MCULE-3522729516 [0,0,0,1,0,0|2,0,1]=4 1145 B5R1.3 NNC1CC1 MCULE-7121199703 [0,0,0,1,0,0|2,0,1]=4 1146 B5R1.3 NNC1CC1 MCULE-8598538666 [0,0,0,1,0,0|2,0,1]=4 1147 B5R1.3 NOC1CC1 MCULE-5379816123 [0,0,0,1,0,0|3,0,0]=4 1148 B5R1.3 O=CC1CC1 MCULE-9773190262 [0,0,0,1,0,0|2,0,0]=3 1149 B5R1.3 OCC1CC1 MCULE-4492474357 [0,0,0,1,0,0|2,0,1]=4 1150 B5R1.3 SCC1CC1 MCULE-9557919804 [0,0,0,1,0,0|2,1,0]=4 1151 B5R1.4 CC1CC1N MCULE-4472318973 [0,0,0,1,0,0|3,0,0]=4 1152 B5R1.4 CC1CC1N MCULE-8037315228 [0,0,0,1,0,0|3,0,0]=4 1153 B5R1.4 CC1CC1O MCULE-2006758475 [0,0,0,1,0,0|2,0,1]=4 1154 B5R1.4 CC1OC1C MCULE-9780363671 [0,0,0,1,0,0|2,0,0]=3 1155 B5R1.4 C[C@@H]1C[C@@H]1N MCULE-6282896395 [0,0,0,1,0,0|3,0,0]=4 1156 B5R1.4 C[C@@H]1C[C@H]1N MCULE-1526017761 [0,0,0,1,0,0|3,0,0]=4 1157 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7111745511 [0,0,0,1,0,0|3,0,0]=4 1158 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7879046644 [0,0,0,1,0,0|3,0,0]=4 1159 B5R1.4 C[C@@H]1C[C@H]1N MCULE-9805986423 [0,0,0,1,0,0|3,0,0]=4 1160 B5R1.4 C[C@@H]1O[C@@H]1C MCULE-4355544092 [0,0,0,1,0,0|2,0,0]=3 1161 B5R1.4 C[C@@H]1O[C@H]1C MCULE-1930253682 [0,0,0,1,0,0|2,0,0]=3 1162 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9525222696 [0,0,0,1,0,0|3,0,0]=4 1163 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9658987958 [0,0,0,1,0,0|3,0,0]=4 1164 B5R1.4 C[C@H]1C[C@H]1N MCULE-4953477750 [0,0,0,1,0,0|3,0,0]=4 1165 B5R1.4 C[C@H]1C[C@H]1N MCULE-6429810931 [0,0,0,1,0,0|3,0,0]=4 1166 B5R1.4 C[C@H]1O[C@@H]1C MCULE-4354089942 [0,0,0,1,0,0|2,0,0]=3 1167 B5R1.4 C[C@H]1O[C@@H]1C MCULE-7982793342 [0,0,0,1,0,0|2,0,0]=3 1168 B2R0.1 BrCBr MCULE-5148445055 [2,0,0,0,0,0|2,0,0]=4 1169 B2R0.1 BrCI MCULE-5427209261 [2,0,0,0,0,0|2,0,0]=4 1170 B2R0.1 C#CC MCULE-8346460782 [2,0,0,0,0,0|1,0,1]=4 1171 B2R0.1 C=CC MCULE-5223715076 [2,0,0,0,0,0|1,0,1]=4 1172 B2R0.1 C=CO MCULE-8167566239 [2,0,0,0,0,0|0,0,2]=4 1173 B2R0.1 C=NN MCULE-4427606079 [2,0,0,0,0,0|1,0,1]=4 1174 B2R0.1 C=NO MCULE-1312312591 [2,0,0,0,0,0|1,0,0]=3 1175 B2R0.1 C=NO MCULE-7599902650 [2,0,0,0,0,0|1,0,0]=3 1176 B2R0.1 CC#N MCULE-8803543318 [2,0,0,0,0,0|0,0,2]=4 1177 B2R0.1 CC=O MCULE-6002254510 [2,0,0,0,0,0|0,0,1]=3 1178 B2R0.1 CC=O MCULE-6800925955 [2,0,0,0,0,0|0,0,1]=3 1179 B2R0.1 CCBr MCULE-9840669634 [2,0,0,0,0,0|1,0,0]=3 1180 B2R0.1 CCC MCULE-7179517367 [2,0,0,0,0,0|1,0,0]=3 1181 B2R0.1 CCCl MCULE-8087909182 [2,0,0,0,0,0|1,0,0]=3 1182 B2R0.1 CCI MCULE-9405436513 [2,0,0,0,0,0|1,0,0]=3 1183 B2R0.1 CCN MCULE-1774065508 [2,0,0,0,0,0|0,0,1]=3 1184 B2R0.1 CCN MCULE-5999638632 [2,0,0,0,0,0|0,0,1]=3 1185 B2R0.1 CCN MCULE-6233823811 [2,0,0,0,0,0|0,0,1]=3 1186 B2R0.1 CCN MCULE-6444557204 [2,0,0,0,0,0|0,0,1]=3 1187 B2R0.1 CCO MCULE-8818474596 [2,0,0,0,0,0|0,0,0]=2 1188 B2R0.1 CCS MCULE-5717309901 [2,0,0,0,0,0|0,1,0]=3 1189 B2R0.1 CNC MCULE-2809467532 [2,0,0,0,0,0|1,0,1]=4 1190 B2R0.1 CNN MCULE-6163742401 [2,0,0,0,0,0|1,0,1]=4 1191 B2R0.1 CNN MCULE-7217348217 [2,0,0,0,0,0|1,0,1]=4 1192 B2R0.1 CNN MCULE-9086529736 [2,0,0,0,0,0|1,0,1]=4 1193 B2R0.1 CNO MCULE-5310203084 [2,0,0,0,0,0|1,0,0]=3 1194 B2R0.1 CNO MCULE-7072005453 [2,0,0,0,0,0|1,0,0]=3 1195 B2R0.1 COC MCULE-4385003255 [2,0,0,0,0,0|1,0,0]=3 1196 B2R0.1 CON MCULE-1068458971 [2,0,0,0,0,0|0,0,1]=3 1197 B2R0.1 CON MCULE-8687558307 [2,0,0,0,0,0|0,0,1]=3 1198 B2R0.1 CO[NH3+] MCULE-6631452734 [2,0,0,0,0,0|0,0,1]=3 1199 B2R0.1 CO[NH3+] MCULE-9975010969 [2,0,0,0,0,0|0,0,1]=3 1200 B2R0.1 CSC MCULE-4525381422 [2,0,0,0,0,0|1,1,0]=4 1201 B2R0.1 C[Se]C MCULE-5369504805 [2,0,0,0,0,0|1,1,0]=4 1202 B2R0.1 ClCBr MCULE-5030719866 [2,0,0,0,0,0|2,0,0]=4 1203 B2R0.1 ClCCl MCULE-1114735075 [2,0,0,0,0,0|2,0,0]=4 1204 B2R0.1 ClCI MCULE-1762372626 [2,0,0,0,0,0|2,0,0]=4 1205 B2R0.1 FCF MCULE-9775386185 [2,0,0,0,0,0|2,0,0]=4 1206 B2R0.1 FCI MCULE-4283244074 [2,0,0,0,0,0|2,0,0]=4 1207 B2R0.1 ICI MCULE-8023612181 [2,0,0,0,0,0|2,0,0]=4 1208 B2R0.1 N#CO MCULE-7459250889 [2,0,0,0,0,0|1,0,1]=4 1209 B2R0.1 N=C=O MCULE-6805056266 [2,0,0,0,0,0|1,0,1]=4 1210 B2R0.1 N=CN MCULE-3312866825 [2,0,0,0,0,0|1,0,1]=4 1211 B2R0.1 N=CN MCULE-4184922761 [2,0,0,0,0,0|1,0,1]=4 1212 B2R0.1 N=CN MCULE-8637660949 [2,0,0,0,0,0|1,0,1]=4 1213 B2R0.1 NC=O MCULE-1633954643 [2,0,0,0,0,0|1,0,1]=4 1214 B2R0.1 NC=O MCULE-4202420620 [2,0,0,0,0,0|1,0,1]=4 1215 B2R0.1 NCN MCULE-1911584441 [2,0,0,0,0,0|1,0,1]=4 1216 B2R0.1 NCN MCULE-5032116024 [2,0,0,0,0,0|1,0,1]=4 1217 B2R0.1 O=BO MCULE-1752281859 [2,0,0,0,0,0|1,0,0]=3 1218 B2R0.1 O=CO MCULE-7175589186 [2,0,0,0,0,0|1,0,0]=3 1219 B2R0.1 O=C[O-] MCULE-2970986504 [2,0,0,0,0,0|1,0,1]=4 1220 B2R0.1 O=C[O-] MCULE-3867870864 [2,0,0,0,0,0|1,0,1]=4 1221 B2R0.1 O=C[O-] MCULE-4029930501 [2,0,0,0,0,0|1,0,1]=4 1222 B2R0.1 O=NO MCULE-6927518919 [2,0,0,0,0,0|0,0,0]=2 1223 B2R0.1 O=N[O-] MCULE-3257981536 [2,0,0,0,0,0|0,0,1]=3 1224 B2R0.1 O=N[O-] MCULE-7337131268 [2,0,0,0,0,0|0,0,1]=3 1225 B2R0.1 O=PO MCULE-5287418544 [2,0,0,0,0,0|0,1,0]=3 1226 B2R0.1 O=P[O-] MCULE-3840413517 [2,0,0,0,0,0|0,1,1]=4 1227 B2R0.1 O=P[O-] MCULE-8243944513 [2,0,0,0,0,0|0,1,1]=4 1228 B2R0.1 O=S=O MCULE-5418662043 [2,0,0,0,0,0|1,0,1]=4 1229 B2R0.1 O=[Ge]=O MCULE-2024233522 [2,0,0,0,0,0|1,0,1]=4 1230 B2R0.1 O=[N+]=O MCULE-8164521024 [2,0,0,0,0,0|0,0,2]=4 1231 B2R0.1 O=[Se]=O MCULE-7119785212 [2,0,0,0,0,0|1,0,1]=4 1232 B2R0.1 O=[Si]=O MCULE-2341844083 [2,0,0,0,0,0|1,0,1]=4 1233 B2R0.1 O=[Te]=O MCULE-4837785402 [2,0,0,0,0,0|1,0,1]=4 1234 B2R0.1 OBO MCULE-8455181481 [2,0,0,0,0,0|1,0,1]=4 1235 B2R0.1 OPO MCULE-1346196691 [2,0,0,0,0,0|0,1,1]=4 1236 B2R0.1 OPO MCULE-5673098193 [2,0,0,0,0,0|0,1,1]=4 1237 B2R0.1 [O-]PO MCULE-2811495269 [2,0,0,0,0,0|0,1,1]=4 1238 B2R0.1 [O-]PO MCULE-6918966731 [2,0,0,0,0,0|0,1,1]=4 1239 B4R0.1 C#CC(C)Br MCULE-6701225038 [1,1,0,0,0,0|2,0,0]=4 1240 B4R0.1 C#CC(C)C MCULE-4600802925 [1,1,0,0,0,0|2,0,0]=4 1241 B4R0.1 C#CC(C)Cl MCULE-2069451312 [1,1,0,0,0,0|2,0,0]=4 1242 B4R0.1 C#CC(C)N MCULE-5174459541 [1,1,0,0,0,0|2,0,0]=4 1243 B4R0.1 C#CC(C)N MCULE-7552261137 [1,1,0,0,0,0|2,0,0]=4 1244 B4R0.1 C#CC(C)N MCULE-8458008104 [1,1,0,0,0,0|2,0,0]=4 1245 B4R0.1 C#CC(C)N MCULE-8872781976 [1,1,0,0,0,0|2,0,0]=4 1246 B4R0.1 C#CC(C)O MCULE-6692690957 [1,1,0,0,0,0|2,0,0]=4 1247 B4R0.1 C#CC(C)O MCULE-8115962170 [1,1,0,0,0,0|2,0,0]=4 1248 B4R0.1 C#C[C@@H](C)N MCULE-1688945745 [1,1,0,0,0,0|2,0,0]=4 1249 B4R0.1 C#C[C@@H](C)N MCULE-2648127023 [1,1,0,0,0,0|2,0,0]=4 1250 B4R0.1 C#C[C@@H](C)N MCULE-4450167680 [1,1,0,0,0,0|2,0,0]=4 1251 B4R0.1 C#C[C@@H](C)N MCULE-5940189329 [1,1,0,0,0,0|2,0,0]=4 1252 B4R0.1 C#C[C@@H](C)O MCULE-3014030718 [1,1,0,0,0,0|2,0,0]=4 1253 B4R0.1 C#C[C@@H](C)O MCULE-5925379513 [1,1,0,0,0,0|2,0,0]=4 1254 B4R0.1 C#C[C@H](C)N MCULE-1256303297 [1,1,0,0,0,0|2,0,0]=4 1255 B4R0.1 C#C[C@H](C)N MCULE-4223264163 [1,1,0,0,0,0|2,0,0]=4 1256 B4R0.1 C#C[C@H](C)N MCULE-9450573338 [1,1,0,0,0,0|2,0,0]=4 1257 B4R0.1 C#C[C@H](C)N MCULE-9795039145 [1,1,0,0,0,0|2,0,0]=4 1258 B4R0.1 C#C[C@H](C)O MCULE-3264536845 [1,1,0,0,0,0|2,0,0]=4 1259 B4R0.1 C(C)(N)CN MCULE-5877041140 [1,1,0,0,0,0|1,0,1]=4 1260 B4R0.1 C(C)(N)CO MCULE-5844242932 [1,1,0,0,0,0|1,0,1]=4 1261 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [1,1,0,0,0,0|0,0,2]=4 1262 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [1,1,0,0,0,0|0,0,2]=4 1263 B4R0.1 C=C(Br)CC MCULE-6271946451 [1,1,0,0,0,0|2,0,0]=4 1264 B4R0.1 C=C(C)C=O MCULE-3758355501 [1,1,0,0,0,0|1,0,1]=4 1265 B4R0.1 C=C(C)OC MCULE-7344104255 [1,1,0,0,0,0|1,0,1]=4 1266 B4R0.1 C=CC(C)Cl MCULE-1756172983 [1,1,0,0,0,0|2,0,0]=4 1267 B4R0.1 C=CC(C)N MCULE-5748048106 [1,1,0,0,0,0|2,0,0]=4 1268 B4R0.1 C=CC(C)N MCULE-6786590923 [1,1,0,0,0,0|2,0,0]=4 1269 B4R0.1 C=CC(C)O MCULE-4525368256 [1,1,0,0,0,0|2,0,0]=4 1270 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [1,1,0,0,0,0|2,0,0]=4 1271 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [1,1,0,0,0,0|2,0,0]=4 1272 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [1,1,0,0,0,0|2,0,0]=4 1273 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [1,1,0,0,0,0|2,0,0]=4 1274 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [1,1,0,0,0,0|2,0,0]=4 1275 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [1,1,0,0,0,0|2,0,0]=4 1276 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [1,1,0,0,0,0|2,0,0]=4 1277 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [1,1,0,0,0,0|2,0,0]=4 1278 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [1,1,0,0,0,0|2,0,0]=4 1279 B4R0.1 C=NN(C)C MCULE-4915917395 [1,1,0,0,0,0|2,0,0]=4 1280 B4R0.1 CC(=NN)C MCULE-8828852790 [1,1,0,0,0,0|1,0,1]=4 1281 B4R0.1 CC(=NO)C MCULE-3243100216 [1,1,0,0,0,0|0,0,2]=4 1282 B4R0.1 CC(=O)C=O MCULE-2718961814 [1,1,0,0,0,0|1,0,1]=4 1283 B4R0.1 CC(=O)CBr MCULE-7812920675 [1,1,0,0,0,0|2,0,0]=4 1284 B4R0.1 CC(=O)CCl MCULE-2501365933 [1,1,0,0,0,0|2,0,0]=4 1285 B4R0.1 CC(=O)CF MCULE-7417279999 [1,1,0,0,0,0|2,0,0]=4 1286 B4R0.1 CC(=O)CN MCULE-2715277783 [1,1,0,0,0,0|2,0,0]=4 1287 B4R0.1 CC(=O)CN MCULE-6004541862 [1,1,0,0,0,0|2,0,0]=4 1288 B4R0.1 CC(=O)CO MCULE-2989526028 [1,1,0,0,0,0|2,0,0]=4 1289 B4R0.1 CC(=O)CS MCULE-9736174016 [1,1,0,0,0,0|2,0,0]=4 1290 B4R0.1 CC(=O)OO MCULE-6028338742 [1,1,0,0,0,0|0,0,2]=4 1291 B4R0.1 CC(Br)C#N MCULE-2994851090 [1,1,0,0,0,0|1,0,1]=4 1292 B4R0.1 CC(Br)C=O MCULE-6060704330 [1,1,0,0,0,0|1,0,0]=3 1293 B4R0.1 CC(Br)CBr MCULE-6304574748 [1,1,0,0,0,0|2,0,0]=4 1294 B4R0.1 CC(Br)CCl MCULE-8021380791 [1,1,0,0,0,0|2,0,0]=4 1295 B4R0.1 CC(Br)CN MCULE-5214613046 [1,1,0,0,0,0|1,0,1]=4 1296 B4R0.1 CC(Br)CN MCULE-6326218362 [1,1,0,0,0,0|1,0,1]=4 1297 B4R0.1 CC(Br)CO MCULE-8344365003 [1,1,0,0,0,0|1,0,1]=4 1298 B4R0.1 CC(C)C#N MCULE-8390118776 [1,1,0,0,0,0|1,0,1]=4 1299 B4R0.1 CC(C)C=O MCULE-3575731904 [1,1,0,0,0,0|1,0,0]=3 1300 B4R0.1 CC(C)CBr MCULE-6039420480 [1,1,0,0,0,0|2,0,0]=4 1301 B4R0.1 CC(C)CCl MCULE-6524976746 [1,1,0,0,0,0|2,0,0]=4 1302 B4R0.1 CC(C)CI MCULE-5280589461 [1,1,0,0,0,0|2,0,0]=4 1303 B4R0.1 CC(C)CN MCULE-2158650588 [1,1,0,0,0,0|1,0,1]=4 1304 B4R0.1 CC(C)CN MCULE-6751437658 [1,1,0,0,0,0|1,0,1]=4 1305 B4R0.1 CC(C)CN MCULE-8319193456 [1,1,0,0,0,0|1,0,1]=4 1306 B4R0.1 CC(C)CN MCULE-8705657065 [1,1,0,0,0,0|1,0,1]=4 1307 B4R0.1 CC(C)CO MCULE-6294327194 [1,1,0,0,0,0|1,0,1]=4 1308 B4R0.1 CC(C)CP MCULE-3724358658 [1,1,0,0,0,0|1,1,0]=4 1309 B4R0.1 CC(C)CS MCULE-7978911055 [1,1,0,0,0,0|1,1,0]=4 1310 B4R0.1 CC(C)NN MCULE-4673953224 [1,1,0,0,0,0|1,0,1]=4 1311 B4R0.1 CC(C)NN MCULE-7901160798 [1,1,0,0,0,0|1,0,1]=4 1312 B4R0.1 CC(C)NN MCULE-9473118288 [1,1,0,0,0,0|1,0,1]=4 1313 B4R0.1 CC(C)NO MCULE-6516566403 [1,1,0,0,0,0|0,0,2]=4 1314 B4R0.1 CC(C)NO MCULE-8545146035 [1,1,0,0,0,0|0,0,2]=4 1315 B4R0.1 CC(C)ON MCULE-4063407094 [1,1,0,0,0,0|0,0,1]=3 1316 B4R0.1 CC(C)ON MCULE-9108231771 [1,1,0,0,0,0|0,0,1]=3 1317 B4R0.1 CC(C)O[NH3+] MCULE-7527132972 [1,1,0,0,0,0|0,0,1]=3 1318 B4R0.1 CC(C)O[NH3+] MCULE-8847326857 [1,1,0,0,0,0|0,0,1]=3 1319 B4R0.1 CC(Cl)C#N MCULE-9841634909 [1,1,0,0,0,0|1,0,1]=4 1320 B4R0.1 CC(Cl)CBr MCULE-8474943880 [1,1,0,0,0,0|2,0,0]=4 1321 B4R0.1 CC(Cl)CCl MCULE-1548912109 [1,1,0,0,0,0|2,0,0]=4 1322 B4R0.1 CC(Cl)CN MCULE-2637316379 [1,1,0,0,0,0|1,0,1]=4 1323 B4R0.1 CC(Cl)CN MCULE-5591419030 [1,1,0,0,0,0|1,0,1]=4 1324 B4R0.1 CC(Cl)CO MCULE-3857255988 [1,1,0,0,0,0|1,0,1]=4 1325 B4R0.1 CC(Cl)CO MCULE-7538548427 [1,1,0,0,0,0|1,0,1]=4 1326 B4R0.1 CC(F)CN MCULE-6584490651 [1,1,0,0,0,0|1,0,1]=4 1327 B4R0.1 CC(F)CN MCULE-9499916116 [1,1,0,0,0,0|1,0,1]=4 1328 B4R0.1 CC(F)CO MCULE-6006763378 [1,1,0,0,0,0|1,0,1]=4 1329 B4R0.1 CC(N)C#N MCULE-4008524363 [1,1,0,0,0,0|1,0,1]=4 1330 B4R0.1 CC(N)C#N MCULE-8654767875 [1,1,0,0,0,0|1,0,1]=4 1331 B4R0.1 CC(N)C=O MCULE-3421118418 [1,1,0,0,0,0|1,0,0]=3 1332 B4R0.1 CC(N)CBr MCULE-1783493149 [1,1,0,0,0,0|2,0,0]=4 1333 B4R0.1 CC(N)CBr MCULE-2775398297 [1,1,0,0,0,0|2,0,0]=4 1334 B4R0.1 CC(N)CCl MCULE-8652434595 [1,1,0,0,0,0|2,0,0]=4 1335 B4R0.1 CC(N)CCl MCULE-9580466630 [1,1,0,0,0,0|2,0,0]=4 1336 B4R0.1 CC(N)CF MCULE-1603143200 [1,1,0,0,0,0|2,0,0]=4 1337 B4R0.1 CC(N)CF MCULE-3787216870 [1,1,0,0,0,0|2,0,0]=4 1338 B4R0.1 CC(N)CF MCULE-4138869746 [1,1,0,0,0,0|2,0,0]=4 1339 B4R0.1 CC(N)CF MCULE-8611760275 [1,1,0,0,0,0|2,0,0]=4 1340 B4R0.1 CC(N)CN MCULE-2119036110 [1,1,0,0,0,0|1,0,1]=4 1341 B4R0.1 CC(N)CN MCULE-6286216576 [1,1,0,0,0,0|1,0,1]=4 1342 B4R0.1 CC(N)CN MCULE-9919433465 [1,1,0,0,0,0|1,0,1]=4 1343 B4R0.1 CC(N)CO MCULE-1361379423 [1,1,0,0,0,0|1,0,1]=4 1344 B4R0.1 CC(N)CO MCULE-2098440985 [1,1,0,0,0,0|1,0,1]=4 1345 B4R0.1 CC(N)CS MCULE-1396853557 [1,1,0,0,0,0|1,1,0]=4 1346 B4R0.1 CC(N)CS MCULE-4094732666 [1,1,0,0,0,0|1,1,0]=4 1347 B4R0.1 CC(O)C#N MCULE-3166802314 [1,1,0,0,0,0|1,0,1]=4 1348 B4R0.1 CC(O)CBr MCULE-7835094737 [1,1,0,0,0,0|2,0,0]=4 1349 B4R0.1 CC(O)CCl MCULE-9140807958 [1,1,0,0,0,0|2,0,0]=4 1350 B4R0.1 CC(O)CF MCULE-1023052065 [1,1,0,0,0,0|2,0,0]=4 1351 B4R0.1 CC(O)CN MCULE-4370440652 [1,1,0,0,0,0|1,0,1]=4 1352 B4R0.1 CC(O)CN MCULE-5694317743 [1,1,0,0,0,0|1,0,1]=4 1353 B4R0.1 CC(O)CN MCULE-6406041538 [1,1,0,0,0,0|1,0,1]=4 1354 B4R0.1 CC(O)CN MCULE-6636652305 [1,1,0,0,0,0|1,0,1]=4 1355 B4R0.1 CC(O)CO MCULE-5574440784 [1,1,0,0,0,0|1,0,1]=4 1356 B4R0.1 CC(O)CO MCULE-8743139013 [1,1,0,0,0,0|1,0,1]=4 1357 B4R0.1 CC(O)CS MCULE-7881083356 [1,1,0,0,0,0|1,1,0]=4 1358 B4R0.1 CC(O)C[NH3+] MCULE-6871369474 [1,1,0,0,0,0|1,0,1]=4 1359 B4R0.1 CC(S)CN MCULE-1957568322 [1,1,0,0,0,0|1,0,1]=4 1360 B4R0.1 CC(S)CN MCULE-7469442412 [1,1,0,0,0,0|1,0,1]=4 1361 B4R0.1 CC(S)CO MCULE-5090908062 [1,1,0,0,0,0|1,0,1]=4 1362 B4R0.1 CC(S)CS MCULE-9264694858 [1,1,0,0,0,0|1,1,0]=4 1363 B4R0.1 CCB(O)O MCULE-1650960999 [1,1,0,0,0,0|1,0,1]=4 1364 B4R0.1 CCC(=N)N MCULE-1856575742 [1,1,0,0,0,0|1,0,0]=3 1365 B4R0.1 CCC(=N)N MCULE-2534386807 [1,1,0,0,0,0|1,0,0]=3 1366 B4R0.1 CCC(=O)Br MCULE-7870678619 [1,1,0,0,0,0|1,0,0]=3 1367 B4R0.1 CCC(=O)C MCULE-8276670748 [1,1,0,0,0,0|1,0,0]=3 1368 B4R0.1 CCC(=O)Cl MCULE-3081874391 [1,1,0,0,0,0|1,0,0]=3 1369 B4R0.1 CCC(=O)F MCULE-8783887670 [1,1,0,0,0,0|1,0,0]=3 1370 B4R0.1 CCC(=O)N MCULE-3730796130 [1,1,0,0,0,0|1,0,0]=3 1371 B4R0.1 CCC(=O)O MCULE-2199051150 [1,1,0,0,0,0|1,0,0]=3 1372 B4R0.1 CCC(=O)O MCULE-9800054040 [1,1,0,0,0,0|1,0,0]=3 1373 B4R0.1 CCC(=O)S MCULE-3392119766 [1,1,0,0,0,0|1,0,0]=3 1374 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [1,1,0,0,0,0|1,0,0]=3 1375 B4R0.1 CCC(=S)N MCULE-3921479699 [1,1,0,0,0,0|1,0,1]=4 1376 B4R0.1 CCC(C)Br MCULE-9661620259 [1,1,0,0,0,0|2,0,0]=4 1377 B4R0.1 CCC(C)C MCULE-5376105936 [1,1,0,0,0,0|2,0,0]=4 1378 B4R0.1 CCC(C)Cl MCULE-2954418486 [1,1,0,0,0,0|2,0,0]=4 1379 B4R0.1 CCC(C)I MCULE-5239699587 [1,1,0,0,0,0|2,0,0]=4 1380 B4R0.1 CCC(C)N MCULE-5041676035 [1,1,0,0,0,0|1,0,1]=4 1381 B4R0.1 CCC(C)N MCULE-5835091553 [1,1,0,0,0,0|1,0,1]=4 1382 B4R0.1 CCC(C)N MCULE-6631606230 [1,1,0,0,0,0|1,0,1]=4 1383 B4R0.1 CCC(C)N MCULE-8165681721 [1,1,0,0,0,0|1,0,1]=4 1384 B4R0.1 CCC(C)O MCULE-4099350806 [1,1,0,0,0,0|1,0,1]=4 1385 B4R0.1 CCC(C)O MCULE-5005120003 [1,1,0,0,0,0|1,0,1]=4 1386 B4R0.1 CCC(C)S MCULE-4988033753 [1,1,0,0,0,0|1,1,0]=4 1387 B4R0.1 CCN(=O)=O MCULE-6603591614 [1,1,0,0,0,0|0,0,1]=3 1388 B4R0.1 CCN(C)C MCULE-5825033552 [1,1,0,0,0,0|1,0,1]=4 1389 B4R0.1 CCN(C)N MCULE-2279492356 [1,1,0,0,0,0|1,0,1]=4 1390 B4R0.1 CCN(C)N MCULE-5660338703 [1,1,0,0,0,0|1,0,1]=4 1391 B4R0.1 CCN(C)N MCULE-9839987578 [1,1,0,0,0,0|1,0,1]=4 1392 B4R0.1 CCS(=O)C MCULE-4400935745 [1,1,0,0,0,0|0,1,0]=3 1393 B4R0.1 CCS(=O)O MCULE-9872932319 [1,1,0,0,0,0|0,1,0]=3 1394 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [1,1,0,0,0,0|0,1,0]=3 1395 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [1,1,0,0,0,0|1,0,1]=4 1396 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [1,1,0,0,0,0|1,0,1]=4 1397 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [1,1,0,0,0,0|1,0,1]=4 1398 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [1,1,0,0,0,0|1,0,1]=4 1399 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [1,1,0,0,0,0|1,0,1]=4 1400 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [1,1,0,0,0,0|1,0,1]=4 1401 B4R0.1 CC[C@H](C)N MCULE-2450201533 [1,1,0,0,0,0|1,0,1]=4 1402 B4R0.1 CC[C@H](C)N MCULE-2998961427 [1,1,0,0,0,0|1,0,1]=4 1403 B4R0.1 CC[C@H](C)N MCULE-6692190471 [1,1,0,0,0,0|1,0,1]=4 1404 B4R0.1 CC[C@H](C)N MCULE-6904795465 [1,1,0,0,0,0|1,0,1]=4 1405 B4R0.1 CC[C@H](C)O MCULE-3700911573 [1,1,0,0,0,0|1,0,1]=4 1406 B4R0.1 CC[C@H](C)O MCULE-6063716138 [1,1,0,0,0,0|1,0,1]=4 1407 B4R0.1 CN(C)C=O MCULE-6290117712 [1,1,0,0,0,0|2,0,0]=4 1408 B4R0.1 CN(C)N=O MCULE-1157726226 [1,1,0,0,0,0|1,0,0]=3 1409 B4R0.1 CN(N)C=O MCULE-6353057165 [1,1,0,0,0,0|2,0,0]=4 1410 B4R0.1 CNC(=N)N MCULE-1074994749 [1,1,0,0,0,0|2,0,0]=4 1411 B4R0.1 CNC(=N)N MCULE-6149731862 [1,1,0,0,0,0|2,0,0]=4 1412 B4R0.1 CNC(=N)N MCULE-7667364021 [1,1,0,0,0,0|2,0,0]=4 1413 B4R0.1 CNC(=N)N MCULE-7854448694 [1,1,0,0,0,0|2,0,0]=4 1414 B4R0.1 CNC(=O)C MCULE-2612997941 [1,1,0,0,0,0|2,0,0]=4 1415 B4R0.1 CNC(=O)Cl MCULE-7743744606 [1,1,0,0,0,0|2,0,0]=4 1416 B4R0.1 CNC(=O)N MCULE-6422331704 [1,1,0,0,0,0|2,0,0]=4 1417 B4R0.1 CNC(C)C MCULE-3849513543 [1,1,0,0,0,0|1,0,1]=4 1418 B4R0.1 COC(=N)C MCULE-2752794913 [1,1,0,0,0,0|1,0,1]=4 1419 B4R0.1 COC(=N)C MCULE-2904991083 [1,1,0,0,0,0|1,0,1]=4 1420 B4R0.1 COC(=N)N MCULE-1611076737 [1,1,0,0,0,0|2,0,0]=4 1421 B4R0.1 COC(=N)N MCULE-4923904579 [1,1,0,0,0,0|2,0,0]=4 1422 B4R0.1 COC(=N)N MCULE-6696789855 [1,1,0,0,0,0|2,0,0]=4 1423 B4R0.1 COC(=N)N MCULE-9171600210 [1,1,0,0,0,0|2,0,0]=4 1424 B4R0.1 COC(=O)C MCULE-7368066093 [1,1,0,0,0,0|1,0,0]=3 1425 B4R0.1 COC(=O)Cl MCULE-8022274771 [1,1,0,0,0,0|1,0,0]=3 1426 B4R0.1 COC(=O)N MCULE-4070607369 [1,1,0,0,0,0|1,0,0]=3 1427 B4R0.1 COC(=S)N MCULE-9414558443 [1,1,0,0,0,0|1,1,0]=4 1428 B4R0.1 COC(=S)[S-] MCULE-4829872223 [1,1,0,0,0,0|1,1,0]=4 1429 B4R0.1 COC(=S)[S-] MCULE-6509496630 [1,1,0,0,0,0|1,1,0]=4 1430 B4R0.1 COC(C)Cl MCULE-9043930044 [1,1,0,0,0,0|1,0,0]=3 1431 B4R0.1 COC(Cl)Cl MCULE-7296291650 [1,1,0,0,0,0|2,0,0]=4 1432 B4R0.1 COP(Cl)Cl MCULE-5269746171 [1,1,0,0,0,0|1,1,0]=4 1433 B4R0.1 CSC(=N)N MCULE-1471368384 [1,1,0,0,0,0|2,0,0]=4 1434 B4R0.1 CSC(=N)N MCULE-3394284504 [1,1,0,0,0,0|2,0,0]=4 1435 B4R0.1 CSC(=N)N MCULE-3752198299 [1,1,0,0,0,0|2,0,0]=4 1436 B4R0.1 CSC(=N)N MCULE-5672446896 [1,1,0,0,0,0|2,0,0]=4 1437 B4R0.1 CSC(=N)N MCULE-8409992127 [1,1,0,0,0,0|2,0,0]=4 1438 B4R0.1 CSC(=O)C MCULE-7061634598 [1,1,0,0,0,0|1,1,0]=4 1439 B4R0.1 CSC(C)C MCULE-5932565699 [1,1,0,0,0,0|1,1,0]=4 1440 B4R0.1 CSS(=O)C MCULE-6515592458 [1,1,0,0,0,0|1,1,0]=4 1441 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [1,1,0,0,0,0|1,0,1]=4 1442 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [1,1,0,0,0,0|1,0,1]=4 1443 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [1,1,0,0,0,0|1,0,1]=4 1444 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [1,1,0,0,0,0|1,0,1]=4 1445 B4R0.1 C[C@@H](N)C#N MCULE-4366493733 [1,1,0,0,0,0|1,0,1]=4 1446 B4R0.1 C[C@@H](N)C#N MCULE-4475438132 [1,1,0,0,0,0|1,0,1]=4 1447 B4R0.1 C[C@@H](N)C#N MCULE-8152568021 [1,1,0,0,0,0|1,0,1]=4 1448 B4R0.1 C[C@@H](N)C#N MCULE-9327848803 [1,1,0,0,0,0|1,0,1]=4 1449 B4R0.1 C[C@@H](N)CF MCULE-2227343602 [1,1,0,0,0,0|2,0,0]=4 1450 B4R0.1 C[C@@H](N)CF MCULE-2283243747 [1,1,0,0,0,0|2,0,0]=4 1451 B4R0.1 C[C@@H](N)CF MCULE-6326763354 [1,1,0,0,0,0|2,0,0]=4 1452 B4R0.1 C[C@@H](N)CF MCULE-6630824972 [1,1,0,0,0,0|2,0,0]=4 1453 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [1,1,0,0,0,0|1,0,1]=4 1454 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [1,1,0,0,0,0|1,0,1]=4 1455 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [1,1,0,0,0,0|1,0,1]=4 1456 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [1,1,0,0,0,0|1,0,1]=4 1457 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [1,1,0,0,0,0|1,0,1]=4 1458 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [1,1,0,0,0,0|1,0,1]=4 1459 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [1,1,0,0,0,0|1,0,0]=3 1460 B4R0.1 C[C@@H](O)CCl MCULE-4669677883 [1,1,0,0,0,0|2,0,0]=4 1461 B4R0.1 C[C@@H](O)CCl MCULE-7670590902 [1,1,0,0,0,0|2,0,0]=4 1462 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [1,1,0,0,0,0|1,0,1]=4 1463 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [1,1,0,0,0,0|1,0,1]=4 1464 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [1,1,0,0,0,0|1,0,1]=4 1465 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [1,1,0,0,0,0|1,1,0]=4 1466 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [1,1,0,0,0,0|1,0,1]=4 1467 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [1,1,0,0,0,0|1,0,1]=4 1468 B4R0.1 C[C@H](F)CO MCULE-1024261541 [1,1,0,0,0,0|1,0,1]=4 1469 B4R0.1 C[C@H](F)CO MCULE-7028098137 [1,1,0,0,0,0|1,0,1]=4 1470 B4R0.1 C[C@H](N)C#N MCULE-2449963253 [1,1,0,0,0,0|1,0,1]=4 1471 B4R0.1 C[C@H](N)C#N MCULE-3624286995 [1,1,0,0,0,0|1,0,1]=4 1472 B4R0.1 C[C@H](N)CF MCULE-1053227516 [1,1,0,0,0,0|2,0,0]=4 1473 B4R0.1 C[C@H](N)CF MCULE-4024916343 [1,1,0,0,0,0|2,0,0]=4 1474 B4R0.1 C[C@H](N)CF MCULE-6312285034 [1,1,0,0,0,0|2,0,0]=4 1475 B4R0.1 C[C@H](N)CF MCULE-7630744199 [1,1,0,0,0,0|2,0,0]=4 1476 B4R0.1 C[C@H](N)CN MCULE-2048837128 [1,1,0,0,0,0|1,0,1]=4 1477 B4R0.1 C[C@H](N)CN MCULE-4105152552 [1,1,0,0,0,0|1,0,1]=4 1478 B4R0.1 C[C@H](N)CN MCULE-7106390536 [1,1,0,0,0,0|1,0,1]=4 1479 B4R0.1 C[C@H](N)CN MCULE-9863306005 [1,1,0,0,0,0|1,0,1]=4 1480 B4R0.1 C[C@H](N)CO MCULE-2471107013 [1,1,0,0,0,0|1,0,1]=4 1481 B4R0.1 C[C@H](N)CO MCULE-5424195678 [1,1,0,0,0,0|1,0,1]=4 1482 B4R0.1 C[C@H](O)CCl MCULE-3018109825 [1,1,0,0,0,0|2,0,0]=4 1483 B4R0.1 C[C@H](O)CCl MCULE-5836677540 [1,1,0,0,0,0|2,0,0]=4 1484 B4R0.1 C[C@H](O)CN MCULE-3227371869 [1,1,0,0,0,0|1,0,1]=4 1485 B4R0.1 C[C@H](O)CN MCULE-5480489257 [1,1,0,0,0,0|1,0,1]=4 1486 B4R0.1 C[C@H](O)CO MCULE-6582852191 [1,1,0,0,0,0|1,0,1]=4 1487 B4R0.1 C[C@H](O)CO MCULE-8074793296 [1,1,0,0,0,0|1,0,1]=4 1488 B4R0.1 C[C@H](O)CS MCULE-9061842733 [1,1,0,0,0,0|1,1,0]=4 1489 B4R0.1 N=C(N)CCl MCULE-1495198330 [1,1,0,0,0,0|2,0,0]=4 1490 B4R0.1 N=C(N)CCl MCULE-2087468158 [1,1,0,0,0,0|2,0,0]=4 1491 B4R0.1 N=C(N)CF MCULE-4489534021 [1,1,0,0,0,0|2,0,0]=4 1492 B4R0.1 N=C(N)CF MCULE-8858704396 [1,1,0,0,0,0|2,0,0]=4 1493 B4R0.1 N=C(N)CN MCULE-2761790792 [1,1,0,0,0,0|2,0,0]=4 1494 B4R0.1 N=C(N)CN MCULE-5131841850 [1,1,0,0,0,0|2,0,0]=4 1495 B4R0.1 N=C(N)CN MCULE-6618111844 [1,1,0,0,0,0|2,0,0]=4 1496 B4R0.1 N=C(N)CO MCULE-5146395919 [1,1,0,0,0,0|2,0,0]=4 1497 B4R0.1 N=C(N)CO MCULE-8814507460 [1,1,0,0,0,0|2,0,0]=4 1498 B4R0.1 NC(=O)CBr MCULE-9306090536 [1,1,0,0,0,0|2,0,0]=4 1499 B4R0.1 NC(=O)CCl MCULE-3241549842 [1,1,0,0,0,0|2,0,0]=4 1500 B4R0.1 NC(=O)CF MCULE-3344212657 [1,1,0,0,0,0|2,0,0]=4 1501 B4R0.1 NC(=O)CI MCULE-4217973413 [1,1,0,0,0,0|2,0,0]=4 1502 B4R0.1 NC(=O)CO MCULE-2739878376 [1,1,0,0,0,0|2,0,0]=4 1503 B4R0.1 NC(=O)CS MCULE-2639305532 [1,1,0,0,0,0|2,0,0]=4 1504 B4R0.1 NCC(=O)N MCULE-1048848056 [1,1,0,0,0,0|2,0,0]=4 1505 B4R0.1 NCC(=O)N MCULE-2174395809 [1,1,0,0,0,0|2,0,0]=4 1506 B4R0.1 NCC(=O)N MCULE-6113166250 [1,1,0,0,0,0|2,0,0]=4 1507 B4R0.1 NCC(=O)O MCULE-2415764032 [1,1,0,0,0,0|2,0,0]=4 1508 B4R0.1 NCC(=O)O MCULE-3643110755 [1,1,0,0,0,0|2,0,0]=4 1509 B4R0.1 NCC(=O)O MCULE-4349255299 [1,1,0,0,0,0|2,0,0]=4 1510 B4R0.1 NCC(=O)O MCULE-9146223615 [1,1,0,0,0,0|2,0,0]=4 1511 B4R0.1 NCC(=O)O MCULE-9701991737 [1,1,0,0,0,0|2,0,0]=4 1512 B4R0.1 NCC(=O)S MCULE-9837799864 [1,1,0,0,0,0|2,0,0]=4 1513 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [1,1,0,0,0,0|2,0,0]=4 1514 B4R0.1 NCS(=O)[O-] MCULE-6627922989 [1,1,0,0,0,0|1,1,0]=4 1515 B4R0.1 NCS(=O)[O-] MCULE-9434739250 [1,1,0,0,0,0|1,1,0]=4 1516 B4R0.1 O=C(Br)CBr MCULE-6031858200 [1,1,0,0,0,0|2,0,0]=4 1517 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [1,1,0,0,0,0|2,0,0]=4 1518 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [1,1,0,0,0,0|2,0,0]=4 1519 B4R0.1 O=C(Cl)CF MCULE-7182087882 [1,1,0,0,0,0|2,0,0]=4 1520 B4R0.1 O=C(Cl)CI MCULE-5719121455 [1,1,0,0,0,0|2,0,0]=4 1521 B4R0.1 O=C(O)CBr MCULE-1503716137 [1,1,0,0,0,0|2,0,0]=4 1522 B4R0.1 O=C(O)CCl MCULE-9228754880 [1,1,0,0,0,0|2,0,0]=4 1523 B4R0.1 O=C(O)CF MCULE-6584094437 [1,1,0,0,0,0|2,0,0]=4 1524 B4R0.1 O=C(O)CI MCULE-3146792857 [1,1,0,0,0,0|2,0,0]=4 1525 B4R0.1 O=C(O)CO MCULE-9792551388 [1,1,0,0,0,0|2,0,0]=4 1526 B4R0.1 O=C(O)CS MCULE-8097997001 [1,1,0,0,0,0|2,0,0]=4 1527 B4R0.1 O=C([O-])CF MCULE-8428965857 [1,1,0,0,0,0|2,0,0]=4 1528 B4R0.1 O=C([O-])CO MCULE-2780567509 [1,1,0,0,0,0|2,0,0]=4 1529 B4R0.1 O=C([O-])CS MCULE-3314809220 [1,1,0,0,0,0|2,0,0]=4 1530 B4R0.1 O=C([O-])CS MCULE-5989133747 [1,1,0,0,0,0|2,0,0]=4 1531 B4R0.1 O=CC(Cl)Cl MCULE-7925858204 [1,1,0,0,0,0|2,0,0]=4 1532 B4R0.1 O=N(=O)CBr MCULE-5030744397 [1,1,0,0,0,0|1,0,1]=4 1533 B4R0.1 O=N(=O)CF MCULE-9920695539 [1,1,0,0,0,0|1,0,1]=4 1534 B4R0.1 O=S(O)CO MCULE-4195832185 [1,1,0,0,0,0|1,1,0]=4 1535 B4R0.1 O=S([O-])CF MCULE-5711587598 [1,1,0,0,0,0|1,1,0]=4 1536 B4R0.1 O=S([O-])CF MCULE-9276464291 [1,1,0,0,0,0|1,1,0]=4 1537 B4R0.1 O=S([O-])CO MCULE-5211722344 [1,1,0,0,0,0|1,1,0]=4 1538 B4R0.1 P(=O)(O)CN MCULE-5441171864 [1,1,0,0,0,0|1,1,0]=4 1539 B4R0.1 [C@@H](C)(O)C#C MCULE-8971134855 [1,1,0,0,0,0|2,0,0]=4 1540 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [1,1,0,0,0,0|1,0,1]=4 1541 B4R0.1 [NH3+]C(C)CC MCULE-3066898055 [1,1,0,0,0,0|1,0,1]=4 1542 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [0,2,0,0,0,0|2,0,0]=4 1543 B6R0.1 C#CC(=O)NCC MCULE-3703208943 [0,2,0,0,0,0|2,0,0]=4 1544 B6R0.1 C#CC(=O)OCC MCULE-3783424133 [0,2,0,0,0,0|1,0,0]=3 1545 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [0,2,0,0,0,0|2,0,0]=4 1546 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [0,2,0,0,0,0|2,0,0]=4 1547 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [0,2,0,0,0,0|1,0,0]=3 1548 B6R0.1 C=COC(=O)CC MCULE-7662621547 [0,2,0,0,0,0|2,0,0]=4 1549 B6R0.1 CC(=CN=O)NO MCULE-1780424821 [0,2,0,0,0,0|1,0,1]=4 1550 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [0,2,0,0,0,0|2,0,0]=4 1551 B6R0.1 CCC(=O)OCCl MCULE-6975707373 [0,2,0,0,0,0|2,0,0]=4 1552 B6R0.1 CCC(C)C=NO MCULE-2829500970 [0,2,0,0,0,0|1,0,1]=4 1553 B6R0.1 CCC(C)CC=O MCULE-9143756592 [0,2,0,0,0,0|2,0,0]=4 1554 B6R0.1 CCC(C)N=C=O MCULE-4771945289 [0,2,0,0,0,0|1,0,0]=3 1555 B6R0.1 CCC(C)N=C=S MCULE-7411656228 [0,2,0,0,0,0|1,1,0]=4 1556 B6R0.1 CCC(C)NC=O MCULE-2197007756 [0,2,0,0,0,0|1,0,1]=4 1557 B6R0.1 CCC(C)OC=O MCULE-9361787208 [0,2,0,0,0,0|1,0,0]=3 1558 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [0,2,0,0,0,0|1,0,1]=4 1559 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [0,2,0,0,0,0|1,0,1]=4 1560 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [0,2,0,0,0,0|2,0,0]=4 1561 B6R0.1 CCCC(=NO)C MCULE-6437787263 [0,2,0,0,0,0|1,0,1]=4 1562 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [0,2,0,0,0,0|2,0,0]=4 1563 B6R0.1 CCCC(=O)CC MCULE-7121523805 [0,2,0,0,0,0|2,0,0]=4 1564 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [0,2,0,0,0,0|2,0,0]=4 1565 B6R0.1 CCCC(=O)CN MCULE-4663263123 [0,2,0,0,0,0|2,0,0]=4 1566 B6R0.1 CCCC(=O)CN MCULE-6326368932 [0,2,0,0,0,0|2,0,0]=4 1567 B6R0.1 CCCC(=O)CO MCULE-6518249412 [0,2,0,0,0,0|2,0,0]=4 1568 B6R0.1 CCCC(=O)NC MCULE-5770149071 [0,2,0,0,0,0|2,0,0]=4 1569 B6R0.1 CCCC(=O)NN MCULE-3660167295 [0,2,0,0,0,0|2,0,0]=4 1570 B6R0.1 CCCC(=O)NO MCULE-8710375368 [0,2,0,0,0,0|2,0,0]=4 1571 B6R0.1 CCCC(=O)OC MCULE-1092030267 [0,2,0,0,0,0|2,0,0]=4 1572 B6R0.1 CCCC(=O)SC MCULE-1490654381 [0,2,0,0,0,0|2,0,0]=4 1573 B6R0.1 CCCC(C)C=O MCULE-9756444218 [0,2,0,0,0,0|2,0,0]=4 1574 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [0,2,0,0,0,0|2,0,0]=4 1575 B6R0.1 CCNC(=O)CC MCULE-8820594723 [0,2,0,0,0,0|2,0,0]=4 1576 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [0,2,0,0,0,0|2,0,0]=4 1577 B6R0.1 CCNC(=O)CN MCULE-1913543460 [0,2,0,0,0,0|2,0,0]=4 1578 B6R0.1 CCNC(=O)CN MCULE-5473845751 [0,2,0,0,0,0|2,0,0]=4 1579 B6R0.1 CCNC(=O)CO MCULE-1386307800 [0,2,0,0,0,0|2,0,0]=4 1580 B6R0.1 CCNC(=O)NC MCULE-7197803115 [0,2,0,0,0,0|2,0,0]=4 1581 B6R0.1 CCNC(=O)NN MCULE-9055200574 [0,2,0,0,0,0|2,0,0]=4 1582 B6R0.1 CCNC(=O)NO MCULE-3264850022 [0,2,0,0,0,0|2,0,0]=4 1583 B6R0.1 CCNC(=O)OC MCULE-7110705188 [0,2,0,0,0,0|2,0,0]=4 1584 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [0,2,0,0,0,0|0,0,1]=3 1585 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [0,2,0,0,0,0|0,0,1]=3 1586 B6R0.1 CCOC(=N)CC MCULE-4645506860 [0,2,0,0,0,0|2,0,0]=4 1587 B6R0.1 CCOC(=N)CC MCULE-9526837631 [0,2,0,0,0,0|2,0,0]=4 1588 B6R0.1 CCOC(=N)CCl MCULE-6291047852 [0,2,0,0,0,0|2,0,0]=4 1589 B6R0.1 CCOC(=N)CCl MCULE-9207251975 [0,2,0,0,0,0|2,0,0]=4 1590 B6R0.1 CCOC(=NO)C MCULE-6964305821 [0,2,0,0,0,0|0,0,1]=3 1591 B6R0.1 CCOC(=O)C#N MCULE-4506452376 [0,2,0,0,0,0|1,0,0]=3 1592 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [0,2,0,0,0,0|1,0,0]=3 1593 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [0,2,0,0,0,0|1,0,0]=3 1594 B6R0.1 CCOC(=O)CC MCULE-1639864693 [0,2,0,0,0,0|1,0,0]=3 1595 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [0,2,0,0,0,0|1,0,0]=3 1596 B6R0.1 CCOC(=O)CF MCULE-1926097423 [0,2,0,0,0,0|1,0,0]=3 1597 B6R0.1 CCOC(=O)CI MCULE-9898762324 [0,2,0,0,0,0|1,0,0]=3 1598 B6R0.1 CCOC(=O)CN MCULE-2185173056 [0,2,0,0,0,0|1,0,0]=3 1599 B6R0.1 CCOC(=O)CN MCULE-2628607025 [0,2,0,0,0,0|1,0,0]=3 1600 B6R0.1 CCOC(=O)CO MCULE-8121340151 [0,2,0,0,0,0|1,0,0]=3 1601 B6R0.1 CCOC(=O)CS MCULE-3354026239 [0,2,0,0,0,0|1,0,0]=3 1602 B6R0.1 CCOC(=O)NC MCULE-5506841198 [0,2,0,0,0,0|1,0,0]=3 1603 B6R0.1 CCOC(=O)NN MCULE-9872948119 [0,2,0,0,0,0|1,0,0]=3 1604 B6R0.1 CCOC(=O)NO MCULE-4701193610 [0,2,0,0,0,0|1,0,0]=3 1605 B6R0.1 CCOC(=O)OC MCULE-1185162684 [0,2,0,0,0,0|1,0,0]=3 1606 B6R0.1 CCOC(=S)SC MCULE-6959447720 [0,2,0,0,0,0|1,1,0]=4 1607 B6R0.1 CCOC(C)CC MCULE-5049998907 [0,2,0,0,0,0|2,0,0]=4 1608 B6R0.1 CCOC(C)CN MCULE-2322112215 [0,2,0,0,0,0|2,0,0]=4 1609 B6R0.1 CCOC(C)CN MCULE-7307949125 [0,2,0,0,0,0|2,0,0]=4 1610 B6R0.1 CCOC(C)CO MCULE-1592146913 [0,2,0,0,0,0|1,0,1]=4 1611 B6R0.1 CCOC(Cl)CCl MCULE-2309448343 [0,2,0,0,0,0|2,0,0]=4 1612 B6R0.1 CCOS(=O)CC MCULE-4858180441 [0,2,0,0,0,0|1,0,0]=3 1613 B6R0.1 CCSC(=O)CC MCULE-6361738004 [0,2,0,0,0,0|1,1,0]=4 1614 B6R0.1 CN(C=O)CCO MCULE-3588371476 [0,2,0,0,0,0|2,0,0]=4 1615 B6R0.1 CN(CCO)N=O MCULE-3975606321 [0,2,0,0,0,0|1,0,0]=3 1616 B6R0.1 COC(=O)OCCl MCULE-7856529986 [0,2,0,0,0,0|2,0,0]=4 1617 B6R0.1 COC(=O)OCF MCULE-4705008675 [0,2,0,0,0,0|2,0,0]=4 1618 B6R0.1 COC(=O)OCI MCULE-8692720175 [0,2,0,0,0,0|2,0,0]=4 1619 B6R0.1 COC(C)CC=O MCULE-7243333697 [0,2,0,0,0,0|2,0,0]=4 1620 B6R0.1 COC/C(=N/O)/N MCULE-8214035702 [0,2,0,0,0,0|1,0,1]=4 1621 B6R0.1 COCC(C)C=O MCULE-7679332713 [0,2,0,0,0,0|2,0,0]=4 1622 B6R0.1 CSC(C)CC=O MCULE-9433914892 [0,2,0,0,0,0|2,0,0]=4 1623 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [0,2,0,0,0,0|1,0,1]=4 1624 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [0,2,0,0,0,0|1,0,1]=4 1625 B6R0.1 NCC/C(=N/O)/N MCULE-6349866821 [0,2,0,0,0,0|1,0,1]=4 1626 B6R0.1 O=C=NC(=O)CCl MCULE-8927897165 [0,2,0,0,0,0|2,0,0]=4 1627 B6R0.1 O=CC[C@H](O)CCl MCULE-6385696769 [0,2,0,0,0,0|2,0,0]=4 1628 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,2,0,0,0,0|1,0,1]=4 1629 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,2,0,0,0,0|2,0,0]=4 1630 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,2,0,0,0,0|2,0,0]=4 1631 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,2,0,0,0,0|2,0,0]=4 1632 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,2,0,0,0,0|2,0,0]=4 1633 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,2,0,0,0,0|2,0,0]=4 1634 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,2,0,0,0,0|2,0,0]=4 1635 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [0,2,0,0,0,0|2,0,0]=4 1636 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,2,0,0,0,0|1,0,1]=4 1637 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [0,2,0,0,0,0|1,0,0]=3 1638 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [0,2,0,0,0,0|1,0,0]=3 1639 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [0,2,0,0,0,0|1,0,0]=3 1640 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,2,0,0,0,0|2,0,0]=4 1641 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [0,2,0,0,0,0|2,0,0]=4 1642 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,2,0,0,0,0|2,0,0]=4 1643 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,2,0,0,0,0|2,0,0]=4 1644 B6R0.2 CC(C)CN(=O)=O MCULE-1357840093 [0,2,0,0,0,0|1,0,1]=4 1645 B6R0.2 CC(C)CS(=O)[O-] MCULE-3716652382 [0,2,0,0,0,0|2,0,0]=4 1646 B6R0.2 CC(C)CS(=O)[O-] MCULE-7111094918 [0,2,0,0,0,0|2,0,0]=4 1647 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [0,2,0,0,0,0|2,0,0]=4 1648 B6R0.2 CC(C)OC(=N)N MCULE-3607061697 [0,2,0,0,0,0|2,0,0]=4 1649 B6R0.2 CC(C)OC(=N)N MCULE-6662387960 [0,2,0,0,0,0|2,0,0]=4 1650 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [0,2,0,0,0,0|1,0,0]=3 1651 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [0,2,0,0,0,0|1,0,0]=3 1652 B6R0.2 CC(C)OC(=S)[S-] MCULE-2902588510 [0,2,0,0,0,0|1,1,0]=4 1653 B6R0.2 CC(C)OC(=S)[S-] MCULE-9078070002 [0,2,0,0,0,0|1,1,0]=4 1654 B6R0.2 CC(C)OC(=S)[S-] MCULE-9949285618 [0,2,0,0,0,0|1,1,0]=4 1655 B6R0.2 CC(C)OC(C)C MCULE-2250230766 [0,2,0,0,0,0|2,0,0]=4 1656 B6R0.2 CC(C)ON(=O)=O MCULE-8820340461 [0,2,0,0,0,0|0,0,1]=3 1657 B6R0.2 CC(C)SC(=O)Cl MCULE-9803882280 [0,2,0,0,0,0|1,1,0]=4 1658 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [0,2,0,0,0,0|2,0,0]=4 1659 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,2,0,0,0,0|2,0,0]=4 1660 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [0,2,0,0,0,0|1,0,0]=3 1661 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,2,0,0,0,0|2,0,0]=4 1662 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,2,0,0,0,0|2,0,0]=4 1663 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,2,0,0,0,0|2,0,0]=4 1664 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,2,0,0,0,0|2,0,0]=4 1665 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,2,0,0,0,0|2,0,0]=4 1666 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,2,0,0,0,0|2,0,0]=4 1667 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,2,0,0,0,0|2,0,0]=4 1668 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [0,2,0,0,0,0|2,0,0]=4 1669 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,2,0,0,0,0|2,0,0]=4 1670 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,2,0,0,0,0|2,0,0]=4 1671 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,2,0,0,0,0|2,0,0]=4 1672 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,2,0,0,0,0|2,0,0]=4 1673 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,2,0,0,0,0|2,0,0]=4 1674 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [0,2,0,0,0,0|1,0,1]=4 1675 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [0,2,0,0,0,0|2,0,0]=4 1676 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,2,0,0,0,0|2,0,0]=4 1677 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,2,0,0,0,0|2,0,0]=4 1678 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,2,0,0,0,0|2,0,0]=4 1679 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,2,0,0,0,0|2,0,0]=4 1680 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,2,0,0,0,0|2,0,0]=4 1681 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,2,0,0,0,0|2,0,0]=4 1682 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,2,0,0,0,0|2,0,0]=4 1683 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,2,0,0,0,0|2,0,0]=4 1684 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,2,0,0,0,0|2,0,0]=4 1685 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,2,0,0,0,0|2,0,0]=4 1686 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,2,0,0,0,0|2,0,0]=4 1687 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,2,0,0,0,0|2,0,0]=4 1688 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,2,0,0,0,0|2,0,0]=4 1689 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,2,0,0,0,0|2,0,0]=4 1690 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,2,0,0,0,0|2,0,0]=4 1691 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,2,0,0,0,0|2,0,0]=4 1692 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,2,0,0,0,0|2,0,0]=4 1693 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,2,0,0,0,0|2,0,0]=4 1694 B6R0.2 P(=O)([O-])OC(C)C MCULE-5865480150 [0,2,0,0,0,0|0,1,0]=3 1695 B6R0.2 P(=O)([O-])OC(C)C MCULE-7393903455 [0,2,0,0,0,0|0,1,0]=3 1696 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,2,0,0,0,0|2,0,0]=4 1697 B6R0.3 CC(C)/C(=N/O)/Cl MCULE-8655360746 [0,2,0,0,0,0|1,0,1]=4 1698 B6R0.3 CC(C)/C(=N/O)/N MCULE-4474697690 [0,2,0,0,0,0|1,0,1]=4 1699 B6R0.3 CC(C)C(Br)C=O MCULE-2054791376 [0,2,0,0,0,0|2,0,0]=4 1700 B6R0.3 CC(C)N(C)N=O MCULE-3797884338 [0,2,0,0,0,0|1,0,0]=3 1701 B6R0.3 CC(C)[C@H](N)C=O MCULE-6686967175 [0,2,0,0,0,0|2,0,0]=4 1702 B6R0.3 CC(O)/C(=N/O)/N MCULE-6135321689 [0,2,0,0,0,0|1,0,1]=4 1703 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,2,0,0,0,0|2,0,0]=4 1704 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,2,0,0,0,0|2,0,0]=4 1705 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,2,0,0,0,0|2,0,0]=4 1706 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,2,0,0,0,0|2,0,0]=4 1707 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,2,0,0,0,0|2,0,0]=4 1708 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [0,2,0,0,0,0|2,0,0]=4 1709 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,2,0,0,0,0|2,0,0]=4 1710 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,2,0,0,0,0|2,0,0]=4 1711 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,2,0,0,0,0|2,0,0]=4 1712 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,2,0,0,0,0|2,0,0]=4 1713 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,2,0,0,0,0|2,0,0]=4 1714 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,2,0,0,0,0|2,0,0]=4 1715 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,2,0,0,0,0|2,0,0]=4 1716 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [0,2,0,0,0,0|2,0,0]=4 1717 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,2,0,0,0,0|2,0,0]=4 1718 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,2,0,0,0,0|2,0,0]=4 1719 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,2,0,0,0,0|2,0,0]=4 1720 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,2,0,0,0,0|2,0,0]=4 1721 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,2,0,0,0,0|2,0,0]=4 1722 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,2,0,0,0,0|2,0,0]=4 1723 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,2,0,0,0,0|2,0,0]=4 1724 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,2,0,0,0,0|2,0,0]=4 1725 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,2,0,0,0,0|2,0,0]=4 1726 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,2,0,0,0,0|2,0,0]=4 1727 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,2,0,0,0,0|2,0,0]=4 1728 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,2,0,0,0,0|2,0,0]=4 1729 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,2,0,0,0,0|2,0,0]=4 1730 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,2,0,0,0,0|2,0,0]=4 1731 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,2,0,0,0,0|2,0,0]=4 1732 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,2,0,0,0,0|2,0,0]=4 1733 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,2,0,0,0,0|2,0,0]=4 1734 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,2,0,0,0,0|2,0,0]=4 1735 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [0,2,0,0,0,0|2,0,0]=4 1736 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [0,2,0,0,0,0|2,0,0]=4 1737 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,2,0,0,0,0|2,0,0]=4 1738 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,2,0,0,0,0|2,0,0]=4 1739 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,2,0,0,0,0|2,0,0]=4 1740 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,2,0,0,0,0|2,0,0]=4 1741 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,2,0,0,0,0|2,0,0]=4 1742 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,2,0,0,0,0|2,0,0]=4 1743 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,2,0,0,0,0|2,0,0]=4 1744 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,2,0,0,0,0|2,0,0]=4 1745 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,2,0,0,0,0|2,0,0]=4 1746 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,2,0,0,0,0|2,0,0]=4 1747 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,2,0,0,0,0|2,0,0]=4 1748 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,2,0,0,0,0|2,0,0]=4 1749 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,2,0,0,0,0|2,0,0]=4 1750 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,2,0,0,0,0|2,0,0]=4 1751 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,2,0,0,0,0|2,0,0]=4 1752 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,2,0,0,0,0|2,0,0]=4 1753 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,2,0,0,0,0|2,0,0]=4 1754 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,2,0,0,0,0|2,0,0]=4 1755 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,2,0,0,0,0|2,0,0]=4 1756 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,2,0,0,0,0|2,0,0]=4 1757 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,2,0,0,0,0|2,0,0]=4 1758 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,2,0,0,0,0|2,0,0]=4 1759 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,2,0,0,0,0|2,0,0]=4 1760 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,2,0,0,0,0|2,0,0]=4 1761 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,2,0,0,0,0|2,0,0]=4 1762 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,2,0,0,0,0|2,0,0]=4 1763 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,2,0,0,0,0|2,0,0]=4 1764 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,2,0,0,0,0|2,0,0]=4 1765 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,2,0,0,0,0|2,0,0]=4 1766 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,2,0,0,0,0|2,0,0]=4 1767 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,2,0,0,0,0|2,0,0]=4 1768 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,2,0,0,0,0|2,0,0]=4 1769 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,2,0,0,0,0|2,0,0]=4 1770 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,2,0,0,0,0|2,0,0]=4 1771 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,2,0,0,0,0|2,0,0]=4 1772 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,2,0,0,0,0|2,0,0]=4 1773 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,2,0,0,0,0|2,0,0]=4 1774 B6R0.4 C#CCOC(=O)C MCULE-5002994323 [0,2,0,0,0,0|1,0,1]=4 1775 B6R0.4 C#CCOC(=O)Cl MCULE-5453166266 [0,2,0,0,0,0|1,0,1]=4 1776 B6R0.4 C#CCOC(=O)N MCULE-9698208346 [0,2,0,0,0,0|1,0,1]=4 1777 B6R0.4 C#CCOC(C)C MCULE-3111253071 [0,2,0,0,0,0|2,0,0]=4 1778 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [0,2,0,0,0,0|1,0,1]=4 1779 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [0,2,0,0,0,0|1,0,1]=4 1780 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [0,2,0,0,0,0|1,0,1]=4 1781 B6R0.4 C=COCC(C)C MCULE-7268141053 [0,2,0,0,0,0|2,0,0]=4 1782 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [0,2,0,0,0,0|2,0,0]=4 1783 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [0,2,0,0,0,0|2,0,0]=4 1784 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [0,2,0,0,0,0|2,0,0]=4 1785 B6R0.4 CC(=O)CCCO MCULE-1335342150 [0,2,0,0,0,0|2,0,0]=4 1786 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [0,2,0,0,0,0|2,0,0]=4 1787 B6R0.4 CC(=O)NCCN MCULE-2230084818 [0,2,0,0,0,0|2,0,0]=4 1788 B6R0.4 CC(=O)NCCO MCULE-5968518415 [0,2,0,0,0,0|2,0,0]=4 1789 B6R0.4 CC(=O)NCCS MCULE-3345813615 [0,2,0,0,0,0|2,0,0]=4 1790 B6R0.4 CC(=O)OCC#N MCULE-4866082576 [0,2,0,0,0,0|1,0,1]=4 1791 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [0,2,0,0,0,0|1,0,0]=3 1792 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [0,2,0,0,0,0|1,0,0]=3 1793 B6R0.4 CC(=O)OCCN MCULE-4530529900 [0,2,0,0,0,0|1,0,0]=3 1794 B6R0.4 CC(=O)OCCN MCULE-6854340494 [0,2,0,0,0,0|1,0,0]=3 1795 B6R0.4 CC(=O)OCCO MCULE-1251660436 [0,2,0,0,0,0|1,0,0]=3 1796 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [0,2,0,0,0,0|1,1,0]=4 1797 B6R0.4 CC(=O)SCCN MCULE-3819903256 [0,2,0,0,0,0|1,1,0]=4 1798 B6R0.4 CC(=O)SCCN MCULE-4872130470 [0,2,0,0,0,0|1,1,0]=4 1799 B6R0.4 CC(=O)SCCN MCULE-7084821345 [0,2,0,0,0,0|1,1,0]=4 1800 B6R0.4 CC(C)C=CC=O MCULE-5034551905 [0,2,0,0,0,0|2,0,0]=4 1801 B6R0.4 CC(C)CCC=O MCULE-9664145623 [0,2,0,0,0,0|2,0,0]=4 1802 B6R0.4 CC(C)CN=C=O MCULE-3174970377 [0,2,0,0,0,0|1,0,0]=3 1803 B6R0.4 CC(C)CN=C=S MCULE-8043723276 [0,2,0,0,0,0|1,1,0]=4 1804 B6R0.4 CC(C)CN=N#N MCULE-3597135332 [0,2,0,0,0,0|2,0,0]=4 1805 B6R0.4 CC(C)CNC=O MCULE-2156996206 [0,2,0,0,0,0|1,0,1]=4 1806 B6R0.4 CC(C)COC=O MCULE-8234906771 [0,2,0,0,0,0|1,0,0]=3 1807 B6R0.4 CC(C)COCCl MCULE-2194640169 [0,2,0,0,0,0|2,0,0]=4 1808 B6R0.4 CC(C)CON=O MCULE-8394966903 [0,2,0,0,0,0|0,0,0]=2 1809 B6R0.4 CC(C)OCC#N MCULE-4594795380 [0,2,0,0,0,0|2,0,0]=4 1810 B6R0.4 CC(C)OCC=O MCULE-5974054323 [0,2,0,0,0,0|1,0,0]=3 1811 B6R0.4 CC(C)OCCBr MCULE-8869065375 [0,2,0,0,0,0|2,0,0]=4 1812 B6R0.4 CC(C)OCCCl MCULE-3848763715 [0,2,0,0,0,0|2,0,0]=4 1813 B6R0.4 CC(C)OCCI MCULE-8259612531 [0,2,0,0,0,0|2,0,0]=4 1814 B6R0.4 CC(C)OCCN MCULE-6140628944 [0,2,0,0,0,0|2,0,0]=4 1815 B6R0.4 CC(C)OCCN MCULE-7438591135 [0,2,0,0,0,0|2,0,0]=4 1816 B6R0.4 CC(C)OCCN MCULE-7614115649 [0,2,0,0,0,0|2,0,0]=4 1817 B6R0.4 CC(C)OCCO MCULE-8766149613 [0,2,0,0,0,0|1,0,1]=4 1818 B6R0.4 CC(C)SCC=O MCULE-3174965592 [0,2,0,0,0,0|1,1,0]=4 1819 B6R0.4 CC(O)CN=N#N MCULE-3020215858 [0,2,0,0,0,0|2,0,0]=4 1820 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [0,2,0,0,0,0|2,0,0]=4 1821 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [0,2,0,0,0,0|2,0,0]=4 1822 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [0,2,0,0,0,0|2,0,0]=4 1823 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [0,2,0,0,0,0|2,0,0]=4 1824 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [0,2,0,0,0,0|2,0,0]=4 1825 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [0,2,0,0,0,0|2,0,0]=4 1826 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [0,2,0,0,0,0|2,0,0]=4 1827 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [0,2,0,0,0,0|2,0,0]=4 1828 B6R0.4 CCCCC(=O)C MCULE-3554390184 [0,2,0,0,0,0|2,0,0]=4 1829 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [0,2,0,0,0,0|2,0,0]=4 1830 B6R0.4 CCCCC(=O)N MCULE-6419483436 [0,2,0,0,0,0|2,0,0]=4 1831 B6R0.4 CCCCC(=O)O MCULE-2333640078 [0,2,0,0,0,0|2,0,0]=4 1832 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [0,2,0,0,0,0|2,0,0]=4 1833 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [0,2,0,0,0,0|1,0,1]=4 1834 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [0,2,0,0,0,0|2,0,0]=4 1835 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [0,2,0,0,0,0|2,0,0]=4 1836 B6R0.4 CCCNC(=O)C MCULE-5899703886 [0,2,0,0,0,0|1,0,1]=4 1837 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [0,2,0,0,0,0|1,0,1]=4 1838 B6R0.4 CCCNC(=O)N MCULE-8528844765 [0,2,0,0,0,0|1,0,1]=4 1839 B6R0.4 CCCOC(=O)C MCULE-7327042566 [0,2,0,0,0,0|1,0,0]=3 1840 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [0,2,0,0,0,0|1,0,0]=3 1841 B6R0.4 CCCOC(=O)N MCULE-2760622567 [0,2,0,0,0,0|1,0,0]=3 1842 B6R0.4 CCCOC(=S)[S-] MCULE-9126934993 [0,2,0,0,0,0|1,1,0]=4 1843 B6R0.4 CCCOC(=S)[S-] MCULE-9566804941 [0,2,0,0,0,0|1,1,0]=4 1844 B6R0.4 CCCON(=O)=O MCULE-3372904250 [0,2,0,0,0,0|0,0,1]=3 1845 B6R0.4 CCCSC(=O)C MCULE-4329646671 [0,2,0,0,0,0|1,1,0]=4 1846 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [0,2,0,0,0,0|1,1,0]=4 1847 B6R0.4 CCN=CC(C)C MCULE-7306741362 [0,2,0,0,0,0|2,0,0]=4 1848 B6R0.4 CCNCC(=O)C MCULE-5799315547 [0,2,0,0,0,0|2,0,0]=4 1849 B6R0.4 CCNCC(=O)C MCULE-9258294157 [0,2,0,0,0,0|2,0,0]=4 1850 B6R0.4 CCNCC(=O)N MCULE-1787248899 [0,2,0,0,0,0|2,0,0]=4 1851 B6R0.4 CCNCC(=O)N MCULE-3821700273 [0,2,0,0,0,0|2,0,0]=4 1852 B6R0.4 CCNCC(=O)O MCULE-5989480216 [0,2,0,0,0,0|2,0,0]=4 1853 B6R0.4 CCNCC(=O)O MCULE-8087863397 [0,2,0,0,0,0|2,0,0]=4 1854 B6R0.4 CCOCC(=N)N MCULE-3232806707 [0,2,0,0,0,0|2,0,0]=4 1855 B6R0.4 CCOCC(=N)N MCULE-4996987536 [0,2,0,0,0,0|2,0,0]=4 1856 B6R0.4 CCOCC(=O)C MCULE-2825677443 [0,2,0,0,0,0|1,0,0]=3 1857 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [0,2,0,0,0,0|1,0,0]=3 1858 B6R0.4 CCOCC(=O)O MCULE-1726530898 [0,2,0,0,0,0|1,0,0]=3 1859 B6R0.4 CCOCC(=S)N MCULE-7064672670 [0,2,0,0,0,0|1,1,0]=4 1860 B6R0.4 CCOCC(C)C MCULE-7986128672 [0,2,0,0,0,0|2,0,0]=4 1861 B6R0.4 CCOCC(C)N MCULE-8540668261 [0,2,0,0,0,0|2,0,0]=4 1862 B6R0.4 CCOCC(C)N MCULE-8720228996 [0,2,0,0,0,0|2,0,0]=4 1863 B6R0.4 CCOCC(C)O MCULE-6224339526 [0,2,0,0,0,0|1,0,1]=4 1864 B6R0.4 CCOC[C@@H](C)N MCULE-7053460047 [0,2,0,0,0,0|2,0,0]=4 1865 B6R0.4 CCOC[C@@H](C)N MCULE-9865800502 [0,2,0,0,0,0|2,0,0]=4 1866 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [0,2,0,0,0,0|1,0,1]=4 1867 B6R0.4 CCOC[C@H](C)N MCULE-2897416804 [0,2,0,0,0,0|2,0,0]=4 1868 B6R0.4 CCOC[C@H](C)N MCULE-6799267946 [0,2,0,0,0,0|2,0,0]=4 1869 B6R0.4 CCONC(C)C MCULE-2412572743 [0,2,0,0,0,0|1,0,1]=4 1870 B6R0.4 CCONC(C)C MCULE-9246196365 [0,2,0,0,0,0|1,0,1]=4 1871 B6R0.4 CCSCC(=O)C MCULE-9872082780 [0,2,0,0,0,0|1,1,0]=4 1872 B6R0.4 CCSCC(=O)O MCULE-7471335718 [0,2,0,0,0,0|1,1,0]=4 1873 B6R0.4 CN(C)CCC=O MCULE-6830649526 [0,2,0,0,0,0|2,0,0]=4 1874 B6R0.4 CNCCC(=O)N MCULE-1118876220 [0,2,0,0,0,0|2,0,0]=4 1875 B6R0.4 CNCCC(=O)N MCULE-6679713144 [0,2,0,0,0,0|2,0,0]=4 1876 B6R0.4 CNCCC(=O)O MCULE-3627988097 [0,2,0,0,0,0|2,0,0]=4 1877 B6R0.4 CNCCC(=O)O MCULE-9858204248 [0,2,0,0,0,0|2,0,0]=4 1878 B6R0.4 CNOCC(C)C MCULE-4779196887 [0,2,0,0,0,0|1,0,1]=4 1879 B6R0.4 CNOCC(C)C MCULE-7320343096 [0,2,0,0,0,0|1,0,1]=4 1880 B6R0.4 COCCC(=O)C MCULE-5939812376 [0,2,0,0,0,0|2,0,0]=4 1881 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [0,2,0,0,0,0|2,0,0]=4 1882 B6R0.4 COCCC(=O)N MCULE-7556483675 [0,2,0,0,0,0|2,0,0]=4 1883 B6R0.4 COCCC(=O)O MCULE-3436347115 [0,2,0,0,0,0|2,0,0]=4 1884 B6R0.4 COCNC(=O)N MCULE-8367032240 [0,2,0,0,0,0|2,0,0]=4 1885 B6R0.4 COCOC(=O)C MCULE-8876091916 [0,2,0,0,0,0|1,0,0]=3 1886 B6R0.4 CON=CC(C)C MCULE-1606683545 [0,2,0,0,0,0|1,0,1]=4 1887 B6R0.4 CS(=O)CCCN MCULE-1124989526 [0,2,0,0,0,0|2,0,0]=4 1888 B6R0.4 CS(=O)CCCN MCULE-8758903495 [0,2,0,0,0,0|2,0,0]=4 1889 B6R0.4 CSCCC(=O)C MCULE-6178663156 [0,2,0,0,0,0|2,0,0]=4 1890 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [0,2,0,0,0,0|2,0,0]=4 1891 B6R0.4 CSCCC(=O)N MCULE-7105035733 [0,2,0,0,0,0|2,0,0]=4 1892 B6R0.4 CSCCC(=O)O MCULE-9550032941 [0,2,0,0,0,0|2,0,0]=4 1893 B6R0.4 CSCOC(=O)C MCULE-1498769347 [0,2,0,0,0,0|1,0,0]=3 1894 B6R0.4 C[C@@H](N)CN=[N+]=[N-] MCULE-5271102998 [0,2,0,0,0,0|2,0,0]=4 1895 B6R0.4 C[C@@H](N)CN=[N+]=[N-] MCULE-8032411746 [0,2,0,0,0,0|2,0,0]=4 1896 B6R0.4 C[C@H](N)CN=[N+]=[N-] MCULE-1080559666 [0,2,0,0,0,0|2,0,0]=4 1897 B6R0.4 C[C@H](N)CN=[N+]=[N-] MCULE-7386732924 [0,2,0,0,0,0|2,0,0]=4 1898 B6R0.4 FC(F)COCCl MCULE-4986204241 [0,2,0,0,0,0|2,0,0]=4 1899 B6R0.4 FC(F)OCCBr MCULE-8028905013 [0,2,0,0,0,0|2,0,0]=4 1900 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [0,2,0,0,0,0|2,0,0]=4 1901 B6R0.4 NC(=O)CCCO MCULE-3779341561 [0,2,0,0,0,0|2,0,0]=4 1902 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [0,2,0,0,0,0|2,0,0]=4 1903 B6R0.4 NC(=O)NCCF MCULE-9526714989 [0,2,0,0,0,0|2,0,0]=4 1904 B6R0.4 NC(=O)NCCO MCULE-2353513655 [0,2,0,0,0,0|2,0,0]=4 1905 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [0,2,0,0,0,0|1,0,0]=3 1906 B6R0.4 NC(=O)OCCO MCULE-7565460845 [0,2,0,0,0,0|1,0,0]=3 1907 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [0,2,0,0,0,0|2,0,0]=4 1908 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [0,2,0,0,0,0|2,0,0]=4 1909 B6R0.4 NCCCC(=O)N MCULE-8039142092 [0,2,0,0,0,0|2,0,0]=4 1910 B6R0.4 NCCCC(=O)N MCULE-8262250872 [0,2,0,0,0,0|2,0,0]=4 1911 B6R0.4 NCCCC(=O)O MCULE-3615304273 [0,2,0,0,0,0|2,0,0]=4 1912 B6R0.4 NCCCC(=O)O MCULE-7613134021 [0,2,0,0,0,0|2,0,0]=4 1913 B6R0.4 NCCNC(=O)N MCULE-1197396950 [0,2,0,0,0,0|2,0,0]=4 1914 B6R0.4 NCCNC(=O)N MCULE-2171700183 [0,2,0,0,0,0|2,0,0]=4 1915 B6R0.4 NCCNC(=O)N MCULE-3799764813 [0,2,0,0,0,0|2,0,0]=4 1916 B6R0.4 NCCOC(=O)N MCULE-4144808257 [0,2,0,0,0,0|1,0,0]=3 1917 B6R0.4 NCCOC(=O)N MCULE-5815053840 [0,2,0,0,0,0|1,0,0]=3 1918 B6R0.4 NCCOC(F)F MCULE-4294860342 [0,2,0,0,0,0|2,0,0]=4 1919 B6R0.4 NCCOC(F)F MCULE-4957283927 [0,2,0,0,0,0|2,0,0]=4 1920 B6R0.4 NCCON(=O)=O MCULE-1660868950 [0,2,0,0,0,0|0,0,1]=3 1921 B6R0.4 NCCON(=O)=O MCULE-5781896981 [0,2,0,0,0,0|0,0,1]=3 1922 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [0,2,0,0,0,0|2,0,0]=4 1923 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [0,2,0,0,0,0|2,0,0]=4 1924 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [0,2,0,0,0,0|1,0,0]=3 1925 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [0,2,0,0,0,0|1,0,0]=3 1926 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [0,2,0,0,0,0|1,0,0]=3 1927 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [0,2,0,0,0,0|2,0,0]=4 1928 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [0,2,0,0,0,0|2,0,0]=4 1929 B6R0.4 O=C(O)CCCF MCULE-2415675768 [0,2,0,0,0,0|2,0,0]=4 1930 B6R0.4 O=C(O)CCCI MCULE-7794841553 [0,2,0,0,0,0|2,0,0]=4 1931 B6R0.4 O=C(O)CCCS MCULE-3352840152 [0,2,0,0,0,0|2,0,0]=4 1932 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [0,2,0,0,0,0|2,0,0]=4 1933 B6R0.4 O=C=NCC(F)F MCULE-3621674714 [0,2,0,0,0,0|2,0,0]=4 1934 B6R0.4 O=CCCC(F)F MCULE-4743402824 [0,2,0,0,0,0|2,0,0]=4 1935 B6R0.4 O=N(=O)CCCBr MCULE-7541604704 [0,2,0,0,0,0|1,0,1]=4 1936 B6R0.4 O=N(=O)CCCCl MCULE-3635255631 [0,2,0,0,0,0|1,0,1]=4 1937 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [0,2,0,0,0,0|1,0,1]=4 1938 B6R0.4 OCCOC(F)F MCULE-6004830165 [0,2,0,0,0,0|2,0,0]=4 1939 B6R0.4 P(=O)([O-])OCCC MCULE-3877591764 [0,2,0,0,0,0|0,1,0]=3 1940 B6R0.5 C=COC(C)(C)C MCULE-5049432761 [0,2,0,0,0,0|2,0,0]=4 1941 B6R0.5 CC(C)(C)/C=N/O MCULE-3498128731 [0,2,0,0,0,0|1,0,1]=4 1942 B6R0.5 CC(C)(C)C=NO MCULE-5715890481 [0,2,0,0,0,0|1,0,1]=4 1943 B6R0.5 CC(C)(C)CC=O MCULE-6726853595 [0,2,0,0,0,0|2,0,0]=4 1944 B6R0.5 CC(C)(C)N=C=O MCULE-5607363135 [0,2,0,0,0,0|2,0,0]=4 1945 B6R0.5 CC(C)(C)NC=O MCULE-4474324800 [0,2,0,0,0,0|2,0,0]=4 1946 B6R0.5 CC(C)(C)OC=O MCULE-3317941666 [0,2,0,0,0,0|1,0,0]=3 1947 B6R0.5 CC(C)(C)ON=O MCULE-6314034226 [0,2,0,0,0,0|0,0,0]=2 1948 B6R0.5 CCCP(=O)(O)O MCULE-3928382731 [0,2,0,0,0,0|1,1,0]=4 1949 B6R0.5 CCCS(=O)(=O)Cl MCULE-4980552385 [0,2,0,0,0,0|2,0,0]=4 1950 B6R0.5 CCCS(=O)(=O)F MCULE-7811564151 [0,2,0,0,0,0|2,0,0]=4 1951 B6R0.5 CCCS(=O)(=O)N MCULE-1554874611 [0,2,0,0,0,0|2,0,0]=4 1952 B6R0.5 CCCS(=O)(=O)O MCULE-5213264344 [0,2,0,0,0,0|2,0,0]=4 1953 B6R0.5 CCCS(=O)(=O)[O-] MCULE-5970988364 [0,2,0,0,0,0|2,0,0]=4 1954 B6R0.5 CCNS(=O)(=O)C MCULE-7880259383 [0,2,0,0,0,0|2,0,0]=4 1955 B6R0.5 CCNS(=O)(=O)Cl MCULE-5092101256 [0,2,0,0,0,0|2,0,0]=4 1956 B6R0.5 CCNS(=O)(=O)N MCULE-5535895823 [0,2,0,0,0,0|2,0,0]=4 1957 B6R0.5 CCNS(=O)(=O)O MCULE-8674266317 [0,2,0,0,0,0|2,0,0]=4 1958 B6R0.5 CCOC(C)(C)C MCULE-7572618089 [0,2,0,0,0,0|2,0,0]=4 1959 B6R0.5 CCOC(F)(F)F MCULE-2354370468 [0,2,0,0,0,0|2,0,0]=4 1960 B6R0.5 CCOP(=O)(C)S MCULE-4864782374 [0,2,0,0,0,0|0,1,0]=3 1961 B6R0.5 CCOP(=O)(Cl)Cl MCULE-7927319323 [0,2,0,0,0,0|0,1,0]=3 1962 B6R0.5 CCOP(=S)(C)[O-] MCULE-9404531218 [0,2,0,0,0,0|0,1,1]=4 1963 B6R0.5 CCOS(=O)(=O)C MCULE-7269389229 [0,2,0,0,0,0|1,0,0]=3 1964 B6R0.5 CCOS(=O)(=O)Cl MCULE-5545793001 [0,2,0,0,0,0|1,0,0]=3 1965 B6R0.5 CCOS(=O)(=O)N MCULE-5392957728 [0,2,0,0,0,0|1,0,0]=3 1966 B6R0.5 CCO[Si](C)(C)C MCULE-5246306540 [0,2,0,0,0,0|2,0,0]=4 1967 B6R0.5 CCO[Si](Cl)(Cl)Cl MCULE-2872564841 [0,2,0,0,0,0|2,0,0]=4 1968 B6R0.5 CS(=O)(=S)OCBr MCULE-7749578002 [0,2,0,0,0,0|2,0,0]=4 1969 B6R0.5 O=NOS(=O)(=O)O MCULE-1867727702 [0,2,0,0,0,0|2,0,0]=4 1970 B6R0.5 O=S(=O)(Cl)OCCl MCULE-6523050199 [0,2,0,0,0,0|2,0,0]=4 1971 B6R0.6 BrCCOCCBr MCULE-7971589019 [0,2,0,0,0,0|2,0,0]=4 1972 B6R0.6 C#CCCCC=O MCULE-4075029417 [0,2,0,0,0,0|2,0,0]=4 1973 B6R0.6 C#CCOCCBr MCULE-5950372691 [0,2,0,0,0,0|2,0,0]=4 1974 B6R0.6 C#CCOCCI MCULE-1768726531 [0,2,0,0,0,0|2,0,0]=4 1975 B6R0.6 C#CCOCCN MCULE-3709649461 [0,2,0,0,0,0|2,0,0]=4 1976 B6R0.6 C#CCOCCN MCULE-5750437888 [0,2,0,0,0,0|2,0,0]=4 1977 B6R0.6 C#CCOCCO MCULE-4502913039 [0,2,0,0,0,0|2,0,0]=4 1978 B6R0.6 C=CCCCC=O MCULE-8676840281 [0,2,0,0,0,0|2,0,0]=4 1979 B6R0.6 C=CCOCC=O MCULE-8507800253 [0,2,0,0,0,0|1,0,1]=4 1980 B6R0.6 C=CCOCCBr MCULE-7565992230 [0,2,0,0,0,0|2,0,0]=4 1981 B6R0.6 C=CCOCCCl MCULE-1353236332 [0,2,0,0,0,0|2,0,0]=4 1982 B6R0.6 C=CCOCCI MCULE-8468439129 [0,2,0,0,0,0|2,0,0]=4 1983 B6R0.6 C=CCOCCN MCULE-5411259412 [0,2,0,0,0,0|2,0,0]=4 1984 B6R0.6 C=CCOCCN MCULE-9798285838 [0,2,0,0,0,0|2,0,0]=4 1985 B6R0.6 C=CCOCCO MCULE-5718868633 [0,2,0,0,0,0|2,0,0]=4 1986 B6R0.6 C=CCOCOC MCULE-6553342654 [0,2,0,0,0,0|2,0,0]=4 1987 B6R0.6 C=COCCCC MCULE-2025922328 [0,2,0,0,0,0|2,0,0]=4 1988 B6R0.6 C=COCCCN MCULE-1669664157 [0,2,0,0,0,0|2,0,0]=4 1989 B6R0.6 C=COCCCO MCULE-8325617945 [0,2,0,0,0,0|2,0,0]=4 1990 B6R0.6 C=COCCOC MCULE-6845218696 [0,2,0,0,0,0|2,0,0]=4 1991 B6R0.6 C=COCCON MCULE-8247202981 [0,2,0,0,0,0|2,0,0]=4 1992 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [0,2,0,0,0,0|2,0,0]=4 1993 B6R0.6 CCC#CCC=O MCULE-4049790039 [0,2,0,0,0,0|2,0,0]=4 1994 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [0,2,0,0,0,0|2,0,0]=4 1995 B6R0.6 CCC=CCC=O MCULE-5764198290 [0,2,0,0,0,0|2,0,0]=4 1996 B6R0.6 CCC=COCC MCULE-1991976030 [0,2,0,0,0,0|2,0,0]=4 1997 B6R0.6 CCCC=CC=O MCULE-5273169296 [0,2,0,0,0,0|2,0,0]=4 1998 B6R0.6 CCCCCC=O MCULE-6770578514 [0,2,0,0,0,0|2,0,0]=4 1999 B6R0.6 CCCCN=C=O MCULE-3381327717 [0,2,0,0,0,0|1,0,0]=3 2000 B6R0.6 CCCCN=C=S MCULE-3952129182 [0,2,0,0,0,0|1,1,0]=4 2001 B6R0.6 CCCCN=N#N MCULE-4207638779 [0,2,0,0,0,0|2,0,0]=4 2002 B6R0.6 CCCCNC=O MCULE-8821792924 [0,2,0,0,0,0|1,0,1]=4 2003 B6R0.6 CCCCOC=O MCULE-4633421026 [0,2,0,0,0,0|1,0,0]=3 2004 B6R0.6 CCCCOCC MCULE-5662731951 [0,2,0,0,0,0|2,0,0]=4 2005 B6R0.6 CCCCOCCl MCULE-5282964693 [0,2,0,0,0,0|2,0,0]=4 2006 B6R0.6 CCCCON=O MCULE-9992790020 [0,2,0,0,0,0|0,0,0]=2 2007 B6R0.6 CCCNOCC MCULE-1349462426 [0,2,0,0,0,0|1,0,1]=4 2008 B6R0.6 CCCNOCC MCULE-7159087335 [0,2,0,0,0,0|1,0,1]=4 2009 B6R0.6 CCCOCC#N MCULE-7011471802 [0,2,0,0,0,0|2,0,0]=4 2010 B6R0.6 CCCOCCC MCULE-1390130917 [0,2,0,0,0,0|2,0,0]=4 2011 B6R0.6 CCCOCCCl MCULE-6561613708 [0,2,0,0,0,0|2,0,0]=4 2012 B6R0.6 CCCOCCI MCULE-5330098176 [0,2,0,0,0,0|2,0,0]=4 2013 B6R0.6 CCCOCCN MCULE-1987261931 [0,2,0,0,0,0|2,0,0]=4 2014 B6R0.6 CCCOCCN MCULE-9033871038 [0,2,0,0,0,0|2,0,0]=4 2015 B6R0.6 CCCOCCO MCULE-3263526264 [0,2,0,0,0,0|1,0,1]=4 2016 B6R0.6 CCO/C=C/C#N MCULE-4278586794 [0,2,0,0,0,0|2,0,0]=4 2017 B6R0.6 CCO/C=N\C#N MCULE-1650776311 [0,2,0,0,0,0|1,0,0]=3 2018 B6R0.6 CCOC=CC#N MCULE-5002780993 [0,2,0,0,0,0|2,0,0]=4 2019 B6R0.6 CCOC=NC#N MCULE-9724347917 [0,2,0,0,0,0|1,0,0]=3 2020 B6R0.6 CCOCCC#N MCULE-4907543374 [0,2,0,0,0,0|2,0,0]=4 2021 B6R0.6 CCOCCC=O MCULE-1664130148 [0,2,0,0,0,0|1,0,0]=3 2022 B6R0.6 CCOCCCBr MCULE-6544747281 [0,2,0,0,0,0|2,0,0]=4 2023 B6R0.6 CCOCCCCl MCULE-8523618681 [0,2,0,0,0,0|2,0,0]=4 2024 B6R0.6 CCOCCCI MCULE-6640732668 [0,2,0,0,0,0|2,0,0]=4 2025 B6R0.6 CCOCCCN MCULE-3491529722 [0,2,0,0,0,0|2,0,0]=4 2026 B6R0.6 CCOCCCO MCULE-3077567484 [0,2,0,0,0,0|1,0,1]=4 2027 B6R0.6 CCOCCNC MCULE-5244682559 [0,2,0,0,0,0|1,0,1]=4 2028 B6R0.6 CCOCCNC MCULE-9344296133 [0,2,0,0,0,0|1,0,1]=4 2029 B6R0.6 CCOCCNN MCULE-2995792378 [0,2,0,0,0,0|1,0,1]=4 2030 B6R0.6 CCOCCNN MCULE-7756116612 [0,2,0,0,0,0|1,0,1]=4 2031 B6R0.6 CCOCCOC MCULE-2753000412 [0,2,0,0,0,0|1,0,1]=4 2032 B6R0.6 CCOCCON MCULE-6072859154 [0,2,0,0,0,0|1,0,1]=4 2033 B6R0.6 CCOCCON MCULE-7716477934 [0,2,0,0,0,0|1,0,1]=4 2034 B6R0.6 CCOCOCC MCULE-3885854108 [0,2,0,0,0,0|1,0,1]=4 2035 B6R0.6 CCSCCC=O MCULE-2493452950 [0,2,0,0,0,0|1,1,0]=4 2036 B6R0.6 CNOCCOC MCULE-2652662364 [0,2,0,0,0,0|1,0,1]=4 2037 B6R0.6 CNOCCOC MCULE-3394597000 [0,2,0,0,0,0|1,0,1]=4 2038 B6R0.6 COCCCC=O MCULE-2055914202 [0,2,0,0,0,0|2,0,0]=4 2039 B6R0.6 COCCN=C=O MCULE-7139432642 [0,2,0,0,0,0|1,0,0]=3 2040 B6R0.6 COCCN=C=S MCULE-4661994491 [0,2,0,0,0,0|1,1,0]=4 2041 B6R0.6 COCCN=N#N MCULE-2613703286 [0,2,0,0,0,0|2,0,0]=4 2042 B6R0.6 COCCNC=O MCULE-9003279073 [0,2,0,0,0,0|1,0,1]=4 2043 B6R0.6 COCCOCCl MCULE-6701095927 [0,2,0,0,0,0|2,0,0]=4 2044 B6R0.6 COCOCCBr MCULE-8856323357 [0,2,0,0,0,0|1,0,1]=4 2045 B6R0.6 COCOCCI MCULE-4444019738 [0,2,0,0,0,0|1,0,1]=4 2046 B6R0.6 COCOCCN MCULE-7974740048 [0,2,0,0,0,0|1,0,1]=4 2047 B6R0.6 COCOCCO MCULE-8093241209 [0,2,0,0,0,0|1,0,1]=4 2048 B6R0.6 COCOCOC MCULE-9183615159 [0,2,0,0,0,0|1,0,1]=4 2049 B6R0.6 CSCCCC=O MCULE-6353729217 [0,2,0,0,0,0|2,0,0]=4 2050 B6R0.6 CSCCN=C=O MCULE-4217751051 [0,2,0,0,0,0|1,0,0]=3 2051 B6R0.6 CSCCN=C=S MCULE-4977130724 [0,2,0,0,0,0|1,1,0]=4 2052 B6R0.6 CSCCN=N#N MCULE-6952720817 [0,2,0,0,0,0|2,0,0]=4 2053 B6R0.6 ClCCOCCCl MCULE-2189904184 [0,2,0,0,0,0|2,0,0]=4 2054 B6R0.6 ClCCOCCI MCULE-8666203040 [0,2,0,0,0,0|2,0,0]=4 2055 B6R0.6 ICCOCCI MCULE-8427607007 [0,2,0,0,0,0|2,0,0]=4 2056 B6R0.6 N#CCOCCCl MCULE-7348074062 [0,2,0,0,0,0|2,0,0]=4 2057 B6R0.6 N#N=NCCCBr MCULE-8162964491 [0,2,0,0,0,0|2,0,0]=4 2058 B6R0.6 N#N=NCCCN MCULE-2473989674 [0,2,0,0,0,0|2,0,0]=4 2059 B6R0.6 N#N=NCCCN MCULE-4660070204 [0,2,0,0,0,0|2,0,0]=4 2060 B6R0.6 N#N=NCCCO MCULE-3148876760 [0,2,0,0,0,0|2,0,0]=4 2061 B6R0.6 NCCCNC=O MCULE-9651299205 [0,2,0,0,0,0|1,0,1]=4 2062 B6R0.6 NCCOCCBr MCULE-6520580224 [0,2,0,0,0,0|2,0,0]=4 2063 B6R0.6 NCCOCCCl MCULE-1975521529 [0,2,0,0,0,0|2,0,0]=4 2064 B6R0.6 NCCOCCCl MCULE-9715175348 [0,2,0,0,0,0|2,0,0]=4 2065 B6R0.6 NCCOCCF MCULE-4126568309 [0,2,0,0,0,0|2,0,0]=4 2066 B6R0.6 NCCOCCF MCULE-4641621710 [0,2,0,0,0,0|2,0,0]=4 2067 B6R0.6 NCCOCCN MCULE-1630934305 [0,2,0,0,0,0|2,0,0]=4 2068 B6R0.6 NCCOCCN MCULE-3282393357 [0,2,0,0,0,0|2,0,0]=4 2069 B6R0.6 NCCOCCN MCULE-3788231540 [0,2,0,0,0,0|2,0,0]=4 2070 B6R0.6 NCCOCCO MCULE-1073574088 [0,2,0,0,0,0|1,0,1]=4 2071 B6R0.6 O=C=NCCCCl MCULE-4158367269 [0,2,0,0,0,0|1,0,0]=3 2072 B6R0.6 O=CCCCC=O MCULE-6802048757 [0,2,0,0,0,0|2,0,0]=4 2073 B6R0.6 O=CCCCCCl MCULE-1257670284 [0,2,0,0,0,0|2,0,0]=4 2074 B6R0.6 O=CCCCCO MCULE-7959082228 [0,2,0,0,0,0|2,0,0]=4 2075 B6R0.6 O=CNCCCO MCULE-7926485528 [0,2,0,0,0,0|1,0,1]=4 2076 B6R0.6 O=NCNCCO MCULE-4478167391 [0,2,0,0,0,0|1,0,0]=3 2077 B6R0.6 OCCOCCBr MCULE-2641000270 [0,2,0,0,0,0|1,0,1]=4 2078 B6R0.6 OCCOCCCl MCULE-7320539957 [0,2,0,0,0,0|1,0,1]=4 2079 B6R0.6 OCCOCCF MCULE-1780385479 [0,2,0,0,0,0|1,0,1]=4 2080 B6R0.6 OCCOCCI MCULE-1083607130 [0,2,0,0,0,0|1,0,1]=4 2081 B6R0.6 OCCOCCO MCULE-1531783732 [0,2,0,0,0,0|1,0,1]=4 2082 B6R0.6 S=C=NCCCBr MCULE-7952245386 [0,2,0,0,0,0|1,1,0]=4 2083 B6R0.6 S=C=NCCCCl MCULE-9060296575 [0,2,0,0,0,0|1,1,0]=4 2084 B6R0.6 SCCOCCS MCULE-6659110232 [0,2,0,0,0,0|1,1,0]=4 2085 B6R0.8 CCC(Br)(Br)C=O MCULE-5893364801 [0,2,0,0,0,0|2,0,0]=4 2086 B6R0.8 CCC(C)(C)C=O MCULE-4902007320 [0,2,0,0,0,0|2,0,0]=4 2087 B6R0.9 C/C=C(/C=O)\CC MCULE-4811305564 [0,2,0,0,0,0|2,0,0]=4 2088 B6R0.9 CC=C(C=O)CC MCULE-3354209980 [0,2,0,0,0,0|2,0,0]=4 2089 B6R0.9 CCC(C=O)CC MCULE-3529464122 [0,2,0,0,0,0|2,0,0]=4 2090 B6R0.9 CCN(C=O)CC MCULE-9053231156 [0,2,0,0,0,0|2,0,0]=4 2091 B6R0.9 CCN(CC)N=O MCULE-8931177297 [0,2,0,0,0,0|1,0,0]=3 2092 B4R1.1 C1CNC1 MCULE-2817120281 [1,0,0,1,0,0|1,0,1]=4 2093 B4R1.1 C1CNC1 MCULE-5348168818 [1,0,0,1,0,0|1,0,1]=4 2094 B4R1.1 C1COC1 MCULE-4105779148 [1,0,0,1,0,0|1,0,0]=3 2095 B4R1.1 C1CSC1 MCULE-2361125802 [1,0,0,1,0,0|1,1,0]=4 2096 B4R1.2 BrC1CC1 MCULE-3656295609 [1,0,0,1,0,0|2,0,0]=4 2097 B4R1.2 CC1CC1 MCULE-5909419916 [1,0,0,1,0,0|2,0,0]=4 2098 B4R1.2 CC1CN1 MCULE-2953452695 [1,0,0,1,0,0|1,0,1]=4 2099 B4R1.2 CC1CO1 MCULE-4799904973 [1,0,0,1,0,0|1,0,0]=3 2100 B4R1.2 CC1CO1 MCULE-9508255430 [1,0,0,1,0,0|1,0,0]=3 2101 B4R1.2 CC1CS1 MCULE-2534699321 [1,0,0,1,0,0|1,1,0]=4 2102 B4R1.2 C[C@@H]1CO1 MCULE-5437340901 [1,0,0,1,0,0|1,0,0]=3 2103 B4R1.2 C[C@@H]1CO1 MCULE-6874302400 [1,0,0,1,0,0|1,0,0]=3 2104 B4R1.2 C[C@H]1CO1 MCULE-4667457959 [1,0,0,1,0,0|1,0,0]=3 2105 B4R1.2 IC1CC1 MCULE-6043109265 [1,0,0,1,0,0|2,0,0]=4 2106 B4R1.2 NC1CC1 MCULE-1933360330 [1,0,0,1,0,0|1,0,1]=4 2107 B4R1.2 NC1CC1 MCULE-6187070220 [1,0,0,1,0,0|1,0,1]=4 2108 B4R1.2 OC1CC1 MCULE-8237846154 [1,0,0,1,0,0|1,0,1]=4 2109 B4R1.2 SC1CC1 MCULE-1371610395 [1,0,0,1,0,0|1,1,0]=4 2110 B4R1.2 [C@@H]1(CN1)C MCULE-4079798985 [1,0,0,1,0,0|1,0,1]=4 2111 B6R1.2 BrC1=COCC1 MCULE-8057569313 [0,1,0,1,0,0|2,0,0]=4 2112 B6R1.2 BrC1CCOC1 MCULE-7037144528 [0,1,0,1,0,0|2,0,0]=4 2113 B6R1.2 Br[C@H]1CCOC1 MCULE-7554969036 [0,1,0,1,0,0|2,0,0]=4 2114 B6R1.2 C1(CCOC1)I MCULE-4877322062 [0,1,0,1,0,0|2,0,0]=4 2115 B6R1.2 C1(CCOC1)N MCULE-2221007915 [0,1,0,1,0,0|2,0,0]=4 2116 B6R1.2 C1(CCOC1)N MCULE-3972931474 [0,1,0,1,0,0|2,0,0]=4 2117 B6R1.2 C1(CCOC1)O MCULE-3631749536 [0,1,0,1,0,0|1,0,1]=4 2118 B6R1.2 CC1=CC=NO1 MCULE-3188314923 [0,1,0,1,0,0|1,0,1]=4 2119 B6R1.2 CC1=CCCO1 MCULE-7276659214 [0,1,0,1,0,0|2,0,0]=4 2120 B6R1.2 CC1=CN=CO1 MCULE-4609626879 [0,1,0,1,0,0|1,0,1]=4 2121 B6R1.2 CC1=CON=C1 MCULE-4312100714 [0,1,0,1,0,0|1,0,1]=4 2122 B6R1.2 CC1=NCCC1 MCULE-5009170423 [0,1,0,1,0,0|2,0,0]=4 2123 B6R1.2 CC1=NCCO1 MCULE-8564633040 [0,1,0,1,0,0|2,0,0]=4 2124 B6R1.2 CC1=NN=CO1 MCULE-5138394000 [0,1,0,1,0,0|1,0,1]=4 2125 B6R1.2 CC1=NNCC1 MCULE-1758510182 [0,1,0,1,0,0|2,0,0]=4 2126 B6R1.2 CC1=NON=C1 MCULE-7563934145 [0,1,0,1,0,0|1,0,1]=4 2127 B6R1.2 CC1CCCO1 MCULE-2526138687 [0,1,0,1,0,0|2,0,0]=4 2128 B6R1.2 CC1CCOC1 MCULE-6424683416 [0,1,0,1,0,0|2,0,0]=4 2129 B6R1.2 CC1CNOC1 MCULE-1071803164 [0,1,0,1,0,0|1,0,1]=4 2130 B6R1.2 CC1CNOC1 MCULE-9455391174 [0,1,0,1,0,0|1,0,1]=4 2131 B6R1.2 CC1COCO1 MCULE-9332316279 [0,1,0,1,0,0|1,0,1]=4 2132 B6R1.2 CC1OCCO1 MCULE-2943809591 [0,1,0,1,0,0|1,0,1]=4 2133 B6R1.2 CN1CCOC1 MCULE-5504672404 [0,1,0,1,0,0|1,0,1]=4 2134 B6R1.2 ClC1CCOC1 MCULE-6903762147 [0,1,0,1,0,0|2,0,0]=4 2135 B6R1.2 ClP1OCCO1 MCULE-2550894251 [0,1,0,1,0,0|0,1,1]=4 2136 B6R1.2 FC1CNOC1 MCULE-4837734523 [0,1,0,1,0,0|1,0,1]=4 2137 B6R1.2 FC1CNOC1 MCULE-6176254900 [0,1,0,1,0,0|1,0,1]=4 2138 B6R1.2 IC1=COCC1 MCULE-3076361502 [0,1,0,1,0,0|2,0,0]=4 2139 B6R1.2 IC1CCOC1 MCULE-1379775972 [0,1,0,1,0,0|2,0,0]=4 2140 B6R1.2 I[C@@H]1CCOC1 MCULE-2036157502 [0,1,0,1,0,0|2,0,0]=4 2141 B6R1.2 I[C@@H]1CCOC1 MCULE-4800752659 [0,1,0,1,0,0|2,0,0]=4 2142 B6R1.2 I[C@H]1CCOC1 MCULE-4242860607 [0,1,0,1,0,0|2,0,0]=4 2143 B6R1.2 I[C@H]1CCOC1 MCULE-7095404975 [0,1,0,1,0,0|2,0,0]=4 2144 B6R1.2 NC1=NCCC1 MCULE-6089369366 [0,1,0,1,0,0|2,0,0]=4 2145 B6R1.2 NC1=NCCC1 MCULE-8979618464 [0,1,0,1,0,0|2,0,0]=4 2146 B6R1.2 NC1=NCCO1 MCULE-1257431295 [0,1,0,1,0,0|2,0,0]=4 2147 B6R1.2 NC1=NCCO1 MCULE-9912511107 [0,1,0,1,0,0|2,0,0]=4 2148 B6R1.2 NC1=NNCC1 MCULE-4665265929 [0,1,0,1,0,0|2,0,0]=4 2149 B6R1.2 NC1=NOCC1 MCULE-4971355735 [0,1,0,1,0,0|1,0,0]=3 2150 B6R1.2 NC1CCOC1 MCULE-1276945018 [0,1,0,1,0,0|2,0,0]=4 2151 B6R1.2 NC1CCOC1 MCULE-8146259495 [0,1,0,1,0,0|2,0,0]=4 2152 B6R1.2 N[C@@H]1CCOC1 MCULE-1100136080 [0,1,0,1,0,0|2,0,0]=4 2153 B6R1.2 N[C@@H]1CCOC1 MCULE-4493278911 [0,1,0,1,0,0|2,0,0]=4 2154 B6R1.2 N[C@@H]1CCOC1 MCULE-5574536510 [0,1,0,1,0,0|2,0,0]=4 2155 B6R1.2 N[C@@H]1CCOC1 MCULE-7204677203 [0,1,0,1,0,0|2,0,0]=4 2156 B6R1.2 N[C@H]1CCOC1 MCULE-2273771439 [0,1,0,1,0,0|2,0,0]=4 2157 B6R1.2 N[C@H]1CCOC1 MCULE-3567904137 [0,1,0,1,0,0|2,0,0]=4 2158 B6R1.2 N[C@H]1CCOC1 MCULE-5268616156 [0,1,0,1,0,0|2,0,0]=4 2159 B6R1.2 N[C@H]1CCOC1 MCULE-7351975857 [0,1,0,1,0,0|2,0,0]=4 2160 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [0,1,0,1,0,0|2,0,0]=4 2161 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [0,1,0,1,0,0|1,0,1]=4 2162 B6R1.2 O=C1CCCC1 MCULE-9455227735 [0,1,0,1,0,0|2,0,0]=4 2163 B6R1.2 O=C1CCCN1 MCULE-3061780794 [0,1,0,1,0,0|1,0,1]=4 2164 B6R1.2 O=C1CCCO1 MCULE-6795890265 [0,1,0,1,0,0|1,0,0]=3 2165 B6R1.2 O=C1CCCS1 MCULE-5361654550 [0,1,0,1,0,0|1,1,0]=4 2166 B6R1.2 O=C1CCNC1 MCULE-2947789259 [0,1,0,1,0,0|2,0,0]=4 2167 B6R1.2 O=C1CCNC1 MCULE-7192595052 [0,1,0,1,0,0|2,0,0]=4 2168 B6R1.2 O=C1CCNN1 MCULE-7030953666 [0,1,0,1,0,0|1,0,1]=4 2169 B6R1.2 O=C1CCOC1 MCULE-2031733910 [0,1,0,1,0,0|1,0,0]=3 2170 B6R1.2 O=C1CCON1 MCULE-6799359324 [0,1,0,1,0,0|0,0,1]=3 2171 B6R1.2 O=C1CCSC1 MCULE-2059655624 [0,1,0,1,0,0|1,1,0]=4 2172 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [0,1,0,1,0,0|1,0,1]=4 2173 B6R1.2 O=C1CNCN1 MCULE-2645891847 [0,1,0,1,0,0|2,0,0]=4 2174 B6R1.2 O=C1CNCN1 MCULE-9269137129 [0,1,0,1,0,0|2,0,0]=4 2175 B6R1.2 O=C1CSCN1 MCULE-3946660854 [0,1,0,1,0,0|2,0,0]=4 2176 B6R1.2 O=C1NCCN1 MCULE-9806791551 [0,1,0,1,0,0|2,0,0]=4 2177 B6R1.2 O=C1NCCO1 MCULE-3934923008 [0,1,0,1,0,0|1,0,0]=3 2178 B6R1.2 O=C1NCCS1 MCULE-6732478086 [0,1,0,1,0,0|1,1,0]=4 2179 B6R1.2 O=C1OCCO1 MCULE-9493253045 [0,1,0,1,0,0|1,0,0]=3 2180 B6R1.2 O=S1CCCC1 MCULE-2442126780 [0,1,0,1,0,0|2,0,0]=4 2181 B6R1.2 O=S1OCCO1 MCULE-5773173321 [0,1,0,1,0,0|1,0,0]=3 2182 B6R1.2 OC1CCCO1 MCULE-9632627344 [0,1,0,1,0,0|1,0,1]=4 2183 B6R1.2 OC1CCOC1 MCULE-4469581028 [0,1,0,1,0,0|1,0,1]=4 2184 B6R1.2 OC1CNOC1 MCULE-3414700581 [0,1,0,1,0,0|1,0,1]=4 2185 B6R1.2 OC1CNOC1 MCULE-8163403090 [0,1,0,1,0,0|1,0,1]=4 2186 B6R1.2 OC1CNOC1 MCULE-8644852072 [0,1,0,1,0,0|1,0,1]=4 2187 B6R1.2 OC1C[NH2+]OC1 MCULE-7865131527 [0,1,0,1,0,0|1,0,1]=4 2188 B6R1.2 O[C@@H]1CCOC1 MCULE-7739141732 [0,1,0,1,0,0|1,0,1]=4 2189 B6R1.2 O[C@@H]1CCOC1 MCULE-8344812226 [0,1,0,1,0,0|1,0,1]=4 2190 B6R1.2 O[C@@H]1CCOC1 MCULE-9098074990 [0,1,0,1,0,0|1,0,1]=4 2191 B6R1.2 O[C@@H]1CNOC1 MCULE-1481945185 [0,1,0,1,0,0|1,0,1]=4 2192 B6R1.2 O[C@@H]1CNOC1 MCULE-4156521353 [0,1,0,1,0,0|1,0,1]=4 2193 B6R1.2 O[C@@H]1CNOC1 MCULE-5692816168 [0,1,0,1,0,0|1,0,1]=4 2194 B6R1.2 O[C@@H]1CNOC1 MCULE-6838604903 [0,1,0,1,0,0|1,0,1]=4 2195 B6R1.2 O[C@H]1CCOC1 MCULE-8518846297 [0,1,0,1,0,0|1,0,1]=4 2196 B6R1.2 O[C@H]1CCOC1 MCULE-9544747995 [0,1,0,1,0,0|1,0,1]=4 2197 B6R1.2 O[C@H]1CNOC1 MCULE-1746817114 [0,1,0,1,0,0|1,0,1]=4 2198 B6R1.2 O[C@H]1CNOC1 MCULE-4469396812 [0,1,0,1,0,0|1,0,1]=4 2199 B6R1.2 O[C@H]1CNOC1 MCULE-7167785164 [0,1,0,1,0,0|1,0,1]=4 2200 B6R1.2 O[C@H]1CNOC1 MCULE-8409877332 [0,1,0,1,0,0|1,0,1]=4 2201 B6R1.2 P1(=O)OCCO1 MCULE-3753821837 [0,1,0,1,0,0|0,1,0]=3 2202 B6R1.2 SC1=NCCO1 MCULE-6684545723 [0,1,0,1,0,0|1,1,0]=4 2203 B6R1.2 SC1CCOC1 MCULE-9247906418 [0,1,0,1,0,0|1,1,0]=4 2204 B6R1.3 N#N=NC1CC1 MCULE-9431259556 [0,1,0,1,0,0|2,0,0]=4 2205 B6R1.3 O=C=NC1CC1 MCULE-8769435962 [0,1,0,1,0,0|1,0,0]=3 2206 B6R1.3 O=CCC1CC1 MCULE-3319649937 [0,1,0,1,0,0|2,0,0]=4 2207 B6R1.3 O=CNC1CC1 MCULE-6602451187 [0,1,0,1,0,0|1,0,1]=4 2208 B6R1.3 S=C=NC1CC1 MCULE-5041896509 [0,1,0,1,0,0|1,1,0]=4 2209 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [0,1,0,1,0,0|1,0,1]=4 2210 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [0,1,0,1,0,0|2,0,0]=4 2211 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [0,1,0,1,0,0|2,0,0]=4 2212 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [0,1,0,1,0,0|1,0,0]=3 2213 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [0,1,0,1,0,0|1,0,0]=3 2214 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [0,1,0,1,0,0|2,0,0]=4 2215 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [0,1,0,1,0,0|2,0,0]=4 2216 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [0,1,0,1,0,0|2,0,0]=4 2217 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [0,1,0,1,0,0|2,0,0]=4 2218 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [0,1,0,1,0,0|2,0,0]=4 2219 B6R1.8 CC1CC1C=O MCULE-2600627355 [0,1,0,1,0,0|2,0,0]=4 2220 B6R1.8 CC1OC1CBr MCULE-3133107383 [0,1,0,1,0,0|2,0,0]=4 2221 B6R1.8 CC1OC1CO MCULE-1680425960 [0,1,0,1,0,0|1,0,1]=4 2222 B6R1.8 O=CC1CC1Cl MCULE-5539872961 [0,1,0,1,0,0|2,0,0]=4 2223 B6R1.9 CC1OC1(C)C MCULE-6556425885 [0,1,0,1,0,0|2,0,0]=4 2224 B6R1.10 N=S1(=O)CCC1 MCULE-7690864417 [0,1,0,1,0,0|2,0,0]=4 2225 B6R1.10 O=S1(=O)CCC1 MCULE-7796411172 [0,1,0,1,0,0|2,0,0]=4 2226 B6R1.10 O=S1(=O)CCN1 MCULE-8786764000 [0,1,0,1,0,0|2,0,0]=4 2227 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [0,1,0,1,0,0|2,0,0]=4 2228 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [0,1,0,1,0,0|2,0,0]=4 2229 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [0,1,0,1,0,0|2,0,0]=4 2230 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [0,1,0,1,0,0|2,0,0]=4 2231 B6R1.11 O=S(O)C1CC1 MCULE-1616243918 [0,1,0,1,0,0|2,0,0]=4 2232 B6R1.11 O=S([O-])C1CC1 MCULE-9446364072 [0,1,0,1,0,0|2,0,0]=4 2233 B6R1.1 C1=CCOCC1 MCULE-7723901693 [0,1,0,1,0,0|2,0,0]=4 2234 B6R1.1 C1=COCCC1 MCULE-1260841717 [0,1,0,1,0,0|2,0,0]=4 2235 B6R1.1 C1=COCCO1 MCULE-2562788031 [0,1,0,1,0,0|1,0,1]=4 2236 B6R1.1 C1=COCOC1 MCULE-9916358884 [0,1,0,1,0,0|2,0,0]=4 2237 B6R1.1 C1=NCCCC1 MCULE-7101012273 [0,1,0,1,0,0|2,0,0]=4 2238 B6R1.1 C1=NCCCN1 MCULE-8199642953 [0,1,0,1,0,0|2,0,0]=4 2239 B6R1.1 C1CCOCC1 MCULE-6904583049 [0,1,0,1,0,0|2,0,0]=4 2240 B6R1.1 C1CCONC1 MCULE-4106728300 [0,1,0,1,0,0|1,0,1]=4 2241 B6R1.1 C1CCONC1 MCULE-7653057344 [0,1,0,1,0,0|1,0,1]=4 2242 B6R1.1 C1CNCOC1 MCULE-7862832103 [0,1,0,1,0,0|1,0,1]=4 2243 B6R1.1 C1COCCN1 MCULE-2533030492 [0,1,0,1,0,0|2,0,0]=4 2244 B6R1.1 C1COCCN1 MCULE-4684386765 [0,1,0,1,0,0|2,0,0]=4 2245 B6R1.1 C1COCCN1 MCULE-8040983584 [0,1,0,1,0,0|2,0,0]=4 2246 B6R1.1 C1COCCO1 MCULE-5088019198 [0,1,0,1,0,0|1,0,1]=4 2247 B6R1.1 C1COCC[NH2+]1 MCULE-5238323153 [0,1,0,1,0,0|2,0,0]=4 2248 B6R1.1 C1COCOC1 MCULE-3698539550 [0,1,0,1,0,0|1,0,1]=4 2249 B6R1.1 C1CSCCO1 MCULE-5803800470 [0,1,0,1,0,0|1,1,0]=4 2250 B6R1.1 C1OCOCO1 MCULE-9548551067 [0,1,0,1,0,0|1,0,1]=4 2251 B6R1.4 CC1CCC1=O MCULE-4548181715 [0,1,0,1,0,0|2,0,0]=4 2252 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,1,0,1,0,0|1,0,1]=4 2253 B6R1.4 CC1COC1=O MCULE-9711165188 [0,1,0,1,0,0|1,0,0]=3 2254 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,1,0,1,0,0|1,0,0]=3 2255 B6R1.4 CC1OCC1O MCULE-1893283492 [0,1,0,1,0,0|1,0,1]=4 2256 B6R1.4 NC1CCC1=O MCULE-3868209809 [0,1,0,1,0,0|2,0,0]=4 2257 B6R1.4 NC1CCC1=O MCULE-9741389143 [0,1,0,1,0,0|2,0,0]=4 2258 B6R1.4 NC1CNC1=O MCULE-2761616663 [0,1,0,1,0,0|2,0,0]=4 2259 B6R1.4 NC1CNC1=O MCULE-3021306383 [0,1,0,1,0,0|2,0,0]=4 2260 B6R1.4 NC1CNC1=O MCULE-3943057121 [0,1,0,1,0,0|2,0,0]=4 2261 B6R1.4 NC1COC1=O MCULE-6998565452 [0,1,0,1,0,0|1,0,0]=3 2262 B6R1.4 NN1CCC1=O MCULE-6200802911 [0,1,0,1,0,0|2,0,0]=4 2263 B6R1.4 NN1CCC1=O MCULE-8249778821 [0,1,0,1,0,0|2,0,0]=4 2264 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [0,1,0,1,0,0|2,0,0]=4 2265 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [0,1,0,1,0,0|2,0,0]=4 2266 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [0,1,0,1,0,0|2,0,0]=4 2267 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [0,1,0,1,0,0|2,0,0]=4 2268 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,1,0,1,0,0|1,0,0]=3 2269 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,1,0,1,0,0|1,0,0]=3 2270 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [0,1,0,1,0,0|2,0,0]=4 2271 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [0,1,0,1,0,0|2,0,0]=4 2272 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [0,1,0,1,0,0|2,0,0]=4 2273 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [0,1,0,1,0,0|2,0,0]=4 2274 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,1,0,1,0,0|1,0,0]=3 2275 B6R1.4 O=C1CCC1Br MCULE-1088592133 [0,1,0,1,0,0|2,0,0]=4 2276 B6R1.4 O=C1CCC1F MCULE-6197375881 [0,1,0,1,0,0|2,0,0]=4 2277 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,1,0,1,0,0|2,0,0]=4 2278 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [0,1,0,1,0,0|2,0,0]=4 2279 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,1,0,1,0,0|1,0,0]=3 2280 B6R1.6 BrCC1CCO1 MCULE-8997197221 [0,1,0,1,0,0|2,0,0]=4 2281 B6R1.6 BrC[C@@H]1CCO1 MCULE-5332541596 [0,1,0,1,0,0|2,0,0]=4 2282 B6R1.6 BrC[C@H]1CCO1 MCULE-4327725094 [0,1,0,1,0,0|2,0,0]=4 2283 B6R1.6 BrC[C@H]1CCO1 MCULE-5319595119 [0,1,0,1,0,0|2,0,0]=4 2284 B6R1.6 C#CC1CCO1 MCULE-6571223458 [0,1,0,1,0,0|2,0,0]=4 2285 B6R1.6 ClCC1CCO1 MCULE-3809712491 [0,1,0,1,0,0|2,0,0]=4 2286 B6R1.6 ICC1CCO1 MCULE-4132798336 [0,1,0,1,0,0|2,0,0]=4 2287 B6R1.6 NCC1CCO1 MCULE-4478591600 [0,1,0,1,0,0|2,0,0]=4 2288 B6R1.6 NC[C@@H]1CCO1 MCULE-2375359339 [0,1,0,1,0,0|2,0,0]=4 2289 B6R1.6 NC[C@@H]1CCO1 MCULE-4004256578 [0,1,0,1,0,0|2,0,0]=4 2290 B6R1.6 NC[C@H]1CCO1 MCULE-2811111103 [0,1,0,1,0,0|2,0,0]=4 2291 B6R1.6 NC[C@H]1CCO1 MCULE-4329808216 [0,1,0,1,0,0|2,0,0]=4 2292 B6R1.6 NC[C@H]1CCO1 MCULE-9974781002 [0,1,0,1,0,0|2,0,0]=4 2293 B6R1.6 O=CC1CCC1 MCULE-8678026416 [0,1,0,1,0,0|2,0,0]=4 2294 B6R1.6 O=CC1COC1 MCULE-3773699476 [0,1,0,1,0,0|2,0,0]=4 2295 B6R1.6 O=CC1CSC1 MCULE-2648443908 [0,1,0,1,0,0|2,0,0]=4 2296 B6R1.6 OCC1CCO1 MCULE-7120761203 [0,1,0,1,0,0|1,0,1]=4 2297 B6R1.6 OCC1CCO1 MCULE-7517577386 [0,1,0,1,0,0|1,0,1]=4 2298 B6R1.6 OC[C@@H]1CCO1 MCULE-7613449097 [0,1,0,1,0,0|1,0,1]=4 2299 B6R1.6 OC[C@@H]1CCO1 MCULE-9444003682 [0,1,0,1,0,0|1,0,1]=4 2300 B6R1.6 OC[C@H]1CCO1 MCULE-1446169257 [0,1,0,1,0,0|1,0,1]=4 2301 B6R1.6 OC[C@H]1CCO1 MCULE-2929052431 [0,1,0,1,0,0|1,0,1]=4 2302 B6R1.6 ON=C1CCC1 MCULE-4777625640 [0,1,0,1,0,0|1,0,1]=4 2303 B6R1.7 CC1(CC1)C=O MCULE-3651219428 [0,1,0,1,0,0|2,0,0]=4 2304 B6R1.7 O=CC1(CC1)F MCULE-5455667660 [0,1,0,1,0,0|2,0,0]=4 2305 B6R2.4 C1CC2C1O2 MCULE-9211083149 [0,0,0,2,0,0|2,0,0]=4