0 B9R0.45 C#CCCCCCCCO TS06488 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.45 C(CCCCBr)CCCBr TS74186 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.45 C(CCCCBr)CCCO TS59627 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.45 C(CCCCCl)CCCCl TS48395 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.45 C(CCCCCl)CCCO TS55696 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.45 C(CCCCN)CCCN TS07039 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.45 C(CCCCN)CCCN TS49233 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.45 C(CCCCO)CCCN TS40336 [0,0,0,0,0,0|1,0,2]=3 8 B9R0.45 C(CCCCO)CCCO TS34596 [0,0,0,0,0,0|1,0,2]=3 9 B9R0.45 C(CCCCS)CCCS TS14294 [0,0,0,0,0,0|1,1,2]=4 10 B9R0.45 C(CCNCCCN)CN TS28701 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.45 C(CCNCCCN)CN TS40345 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.45 C(CCNCCCN)CN TS83990 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.45 C(CNCCO)NCCO TS07481 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.45 C(CO)CSSCCCO TS48335 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.45 C(COCCOCCCl)O TS44946 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.45 C(COCCOCCO)N TS40739 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.45 C(COCCOCCO)O TS09857 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.45 C(COCCOCCS)O TS12275 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.45 C(CSCCSCCO)O TS48337 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.45 C=CCCCCCCCO TS37642 [0,0,0,0,0,0|0,0,4]=4 21 B9R0.45 CC=CC=CCCCCO TS06516 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.45 CCC=CCC=CCCO TS06496 [0,0,0,0,0,0|0,0,2]=2 23 B9R0.45 CCC=CCC=CCCO TS06509 [0,0,0,0,0,0|0,0,2]=2 24 B9R0.45 CCC=CCCC=CCO TS06504 [0,0,0,0,0,0|0,0,4]=4 25 B9R0.45 CCC=CCCCCCO TS06747 [0,0,0,0,0,0|0,0,4]=4 26 B9R0.45 CCCCC#CCCCC TS06315 [0,0,0,0,0,0|1,0,3]=4 27 B9R0.45 CCCCC#CCCCCl TS42006 [0,0,0,0,0,0|1,0,3]=4 28 B9R0.45 CCCCC=CC=CC=O TS37223 [0,0,0,0,0,0|0,0,4]=4 29 B9R0.45 CCCCC=CC=CCO TS06495 [0,0,0,0,0,0|0,0,2]=2 30 B9R0.45 CCCCC=CCCCC TS06526 [0,0,0,0,0,0|1,0,2]=3 31 B9R0.45 CCCCC=CCCCC TS06534 [0,0,0,0,0,0|1,0,2]=3 32 B9R0.45 CCCCCC#CCC#C TS36859 [0,0,0,0,0,0|1,0,3]=4 33 B9R0.45 CCCCCC#CCCC TS06313 [0,0,0,0,0,0|1,0,2]=3 34 B9R0.45 CCCCCC#CCCO TS06497 [0,0,0,0,0,0|0,0,2]=2 35 B9R0.45 CCCCCC=CCCC TS06525 [0,0,0,0,0,0|1,0,0]=1 36 B9R0.45 CCCCCC=CCCC TS06539 [0,0,0,0,0,0|1,0,0]=1 37 B9R0.45 CCCCCC=CCCO TS06745 [0,0,0,0,0,0|0,0,0]=0 38 B9R0.45 CCCCCC=COCC TS06766 [0,0,0,0,0,0|2,0,0]=2 39 B9R0.45 CCCCCCC#CCC TS06319 [0,0,0,0,0,0|1,0,3]=4 40 B9R0.45 CCCCCCC#CCO TS06501 [0,0,0,0,0,0|0,0,3]=3 41 B9R0.45 CCCCCCC=CC=O TS37409 [0,0,0,0,0,0|0,0,4]=4 42 B9R0.45 CCCCCCC=CCC TS06528 [0,0,0,0,0,0|1,0,2]=3 43 B9R0.45 CCCCCCC=CCC TS06538 [0,0,0,0,0,0|1,0,2]=3 44 B9R0.45 CCCCCCC=CCO TS37637 [0,0,0,0,0,0|0,0,2]=2 45 B9R0.45 CCCCCCCCC#C TS06311 [0,0,0,0,0,0|1,0,3]=4 46 B9R0.45 CCCCCCCCC=C TS06521 [0,0,0,0,0,0|1,0,3]=4 47 B9R0.45 CCCCCCCCC=O TS06760 [0,0,0,0,0,0|0,0,4]=4 48 B9R0.45 CCCCCCCCCBr TS00421 [0,0,0,0,0,0|1,0,2]=3 49 B9R0.45 CCCCCCCCCC TS37669 [0,0,0,0,0,0|1,0,2]=3 50 B9R0.45 CCCCCCCCCF TS40465 [0,0,0,0,0,0|1,0,2]=3 51 B9R0.45 CCCCCCCCCN TS06895 [0,0,0,0,0,0|1,0,2]=3 52 B9R0.45 CCCCCCCCCO TS07020 [0,0,0,0,0,0|0,0,2]=2 53 B9R0.45 CCCCCCCCCS TS11320 [0,0,0,0,0,0|0,1,2]=3 54 B9R0.45 CCCCCCCCNC TS06887 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.45 CCCCCCCCSC TS11321 [0,0,0,0,0,0|2,0,2]=4 56 B9R0.45 CCCCCCCC[Mg]Br TS22286 [0,0,0,0,0,0|2,0,2]=4 57 B9R0.45 CCCCCCCNCC TS06892 [0,0,0,0,0,0|2,0,2]=4 58 B9R0.45 CCCCCCNCCN TS07030 [0,0,0,0,0,0|2,0,1]=3 59 B9R0.45 CCCCCCNCCO TS40337 [0,0,0,0,0,0|1,0,1]=2 60 B9R0.45 CCCCCCOCC=C TS06762 [0,0,0,0,0,0|2,0,2]=4 61 B9R0.45 CCCCCCOCCO TS07250 [0,0,0,0,0,0|1,0,1]=2 62 B9R0.45 CCCCCCSCCCl TS14704 [0,0,0,0,0,0|2,0,1]=3 63 B9R0.45 CCCCCCSCCO TS42515 [0,0,0,0,0,0|1,0,1]=2 64 B9R0.45 CCCCCNCCC#N TS37425 [0,0,0,0,0,0|2,0,2]=4 65 B9R0.45 CCCCCNCCCC TS06893 [0,0,0,0,0,0|2,0,1]=3 66 B9R0.45 CCCCNCCCCO TS40341 [0,0,0,0,0,0|1,0,2]=3 67 B9R0.45 CCCCSSCCCC TS14290 [0,0,0,0,0,0|3,0,1]=4 68 B9R0.45 CCOCCOCCCN TS07368 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.4 C#CCCCCCCO TS05177 [1,0,0,0,0,0|0,0,3]=4 70 B8R0.4 C(CCCBr)CCCBr TS68070 [1,0,0,0,0,0|2,0,1]=4 71 B8R0.4 C(CCCCl)CCCCl TS44969 [1,0,0,0,0,0|2,0,1]=4 72 B8R0.4 C(CCCN)CCCN TS05605 [1,0,0,0,0,0|2,0,1]=4 73 B8R0.4 C(CCCN)CCCO TS36619 [1,0,0,0,0,0|1,0,1]=3 74 B8R0.4 C(CCCO)CCCBr TS55654 [1,0,0,0,0,0|1,0,1]=3 75 B8R0.4 C(CCCO)CCCO TS36690 [1,0,0,0,0,0|1,0,1]=3 76 B8R0.4 C(CCNCCO)CN TS36704 [1,0,0,0,0,0|2,0,0]=3 77 B8R0.4 C(CNCCCO)CO TS02184 [1,0,0,0,0,0|2,0,1]=4 78 B8R0.4 C(CO)CSCCCO TS09957 [1,0,0,0,0,0|2,0,1]=4 79 B8R0.4 C(CSCSCCO)O TS44931 [1,0,0,0,0,0|3,0,0]=4 80 B8R0.4 C=CCCCC=CCO TS05204 [1,0,0,0,0,0|0,0,2]=3 81 B8R0.4 C=CCCCCCCO TS05382 [1,0,0,0,0,0|0,0,3]=4 82 B8R0.4 CCC=CCCCCO TS36323 [1,0,0,0,0,0|1,0,0]=2 83 B8R0.4 CCC=CCCOC=O TS05352 [1,0,0,0,0,0|2,0,1]=4 84 B8R0.4 CCCC=CC=CCO TS36154 [1,0,0,0,0,0|0,0,2]=3 85 B8R0.4 CCCCC#CCCC TS05048 [1,0,0,0,0,0|0,0,3]=4 86 B8R0.4 CCCCC#CCCO TS36147 [1,0,0,0,0,0|0,0,2]=3 87 B8R0.4 CCCCC=CC=CC TS05047 [1,0,0,0,0,0|0,0,2]=3 88 B8R0.4 CCCCC=CCCC TS05206 [1,0,0,0,0,0|1,0,0]=2 89 B8R0.4 CCCCC=CCCO TS36327 [1,0,0,0,0,0|0,0,0]=1 90 B8R0.4 CCCCC=COCC TS05398 [1,0,0,0,0,0|1,0,1]=3 91 B8R0.4 CCCCCC#CCBr TS50858 [1,0,0,0,0,0|1,0,2]=4 92 B8R0.4 CCCCCC#CCC TS05059 [1,0,0,0,0,0|0,0,2]=3 93 B8R0.4 CCCCCC#CCCl TS07054 [1,0,0,0,0,0|1,0,2]=4 94 B8R0.4 CCCCCC#CCO TS05190 [1,0,0,0,0,0|0,0,2]=3 95 B8R0.4 CCCCCC=CC=O TS36157 [1,0,0,0,0,0|0,0,2]=3 96 B8R0.4 CCCCCC=CCC TS36181 [1,0,0,0,0,0|0,0,0]=1 97 B8R0.4 CCCCCC=CCO TS05393 [1,0,0,0,0,0|0,0,0]=1 98 B8R0.4 CCCCCCC#CC TS05062 [1,0,0,0,0,0|0,0,3]=4 99 B8R0.4 CCCCCCC=CC TS05227 [1,0,0,0,0,0|0,0,2]=3 100 B8R0.4 CCCCCCC=NO TS36429 [1,0,0,0,0,0|1,0,1]=3 101 B8R0.4 CCCCCCCC#C TS05045 [1,0,0,0,0,0|1,0,2]=4 102 B8R0.4 CCCCCCCC#N TS05112 [1,0,0,0,0,0|1,0,2]=4 103 B8R0.4 CCCCCCCC=C TS05208 [1,0,0,0,0,0|1,0,2]=4 104 B8R0.4 CCCCCCCC=O TS05399 [1,0,0,0,0,0|0,0,3]=4 105 B8R0.4 CCCCCCCCBr TS00038 [1,0,0,0,0,0|1,0,1]=3 106 B8R0.4 CCCCCCCCC TS05427 [1,0,0,0,0,0|0,0,2]=3 107 B8R0.4 CCCCCCCCCl TS07517 [1,0,0,0,0,0|1,0,1]=3 108 B8R0.4 CCCCCCCCF TS05771 [1,0,0,0,0,0|1,0,1]=3 109 B8R0.4 CCCCCCCCN TS05489 [1,0,0,0,0,0|1,0,1]=3 110 B8R0.4 CCCCCCCCN TS12120 [1,0,0,0,0,0|1,0,1]=3 111 B8R0.4 CCCCCCCCN TS20855 [1,0,0,0,0,0|1,0,1]=3 112 B8R0.4 CCCCCCCCO TS36550 [1,0,0,0,0,0|0,0,1]=2 113 B8R0.4 CCCCCCCCS TS40481 [1,0,0,0,0,0|0,1,1]=3 114 B8R0.4 CCCCCCCC[Si] TS07042 [1,0,0,0,0,0|1,0,1]=3 115 B8R0.4 CCCCCCCNC TS05499 [1,0,0,0,0,0|1,0,2]=4 116 B8R0.4 CCCCCCNCC TS05500 [1,0,0,0,0,0|1,0,1]=3 117 B8R0.4 CCCCCCSCC TS40479 [1,0,0,0,0,0|1,0,1]=3 118 B8R0.4 CCCCCNCCO TS36622 [1,0,0,0,0,0|1,0,0]=2 119 B8R0.4 CCCCCOCC=C TS05379 [1,0,0,0,0,0|2,0,1]=4 120 B8R0.4 CCCCCOCCO TS36691 [1,0,0,0,0,0|1,0,0]=2 121 B8R0.4 CCCCNCCCC TS55846 [1,0,0,0,0,0|1,0,2]=4 122 B8R0.4 CCCCOCCCC TS05599 [1,0,0,0,0,0|1,0,2]=4 123 B8R0.4 CCCCOCCCN TS36614 [1,0,0,0,0,0|2,0,1]=4 124 B8R0.4 CCCCPCCCC TS40455 [1,0,0,0,0,0|1,0,2]=4 125 B8R0.4 CCCCSCCCC TS40480 [1,0,0,0,0,0|1,0,2]=4 126 B8R0.4 CCCC[GeH2]CCCC TS16104 [1,0,0,0,0,0|0,1,2]=4 127 B8R0.4 CCCC[Hg]CCCC TS76737 [1,0,0,0,0,0|1,0,2]=4 128 B8R0.4 CCCC[NH2+]CCCC TS49201 [1,0,0,0,0,0|1,0,2]=4 129 B8R0.4 CCCC[Sn+2]CCCC TS64754 [1,0,0,0,0,0|1,0,2]=4 130 B8R0.4 CCCC[Sn+2]CCCC TS78833 [1,0,0,0,0,0|1,0,2]=4 131 B8R0.4 CCCC[Sn+2]CCCC TS79757 [1,0,0,0,0,0|1,0,2]=4 132 B8R0.4 CCCC[Te]CCCC TS57621 [1,0,0,0,0,0|1,0,2]=4 133 B8R0.4 CCCC[Zn]CCCC TS14479 [1,0,0,0,0,0|1,0,2]=4 134 B8R0.4 CCCOCOCCC TS05761 [1,0,0,0,0,0|2,0,1]=4 135 B8R0.4 CCNCCCNCC TS05606 [1,0,0,0,0,0|2,0,1]=4 136 B8R0.4 CCOCCOCCO TS05898 [1,0,0,0,0,0|2,0,0]=3 137 B8R0.4 CNCCCCCCO TS36615 [1,0,0,0,0,0|1,0,1]=3 138 B8R0.4 [B+](CCCC)CCCC TS33566 [1,0,0,0,0,0|1,0,2]=4 139 B10R0.1 CCCC(=O)OCCCCO TS11279 [0,1,0,0,0,0|3,0,0]=4 140 B10R0.1 CCCCCCC(=O)CCC TS10748 [0,1,0,0,0,0|1,0,1]=3 141 B10R0.1 CCCCCCC(=O)OCC TS11034 [0,1,0,0,0,0|2,0,1]=4 142 B10R0.1 CCCCCCC(CCC)O TS11068 [0,1,0,0,0,0|1,0,2]=4 143 B10R0.1 CCCCCCC(CCO)O TS19444 [0,1,0,0,0,0|0,0,2]=3 144 B10R0.1 CCCCCCC(CCO)O TS42204 [0,1,0,0,0,0|0,0,2]=3 145 B10R0.1 CCCCCOC(=O)CCC TS41940 [0,1,0,0,0,0|2,0,0]=3 146 B10R0.4 B(C=CCCCCCC)(O)O TS41569 [0,1,0,0,0,0|1,0,2]=4 147 B10R0.4 B(CCCCCCCC)(O)O TS41838 [0,1,0,0,0,0|1,0,2]=4 148 B10R0.4 CC(C)CCCCCCCO TS41982 [0,1,0,0,0,0|0,0,2]=3 149 B10R0.4 CC(C)COCCOCCO TS11579 [0,1,0,0,0,0|2,0,1]=4 150 B10R0.4 CCCC=CCCOC(=O)C TS10718 [0,1,0,0,0,0|2,0,1]=4 151 B10R0.4 CCCCCC=CCC(=O)O TS41642 [0,1,0,0,0,0|0,0,1]=2 152 B10R0.4 CCCCCCC=CC(=O)O TS41637 [0,1,0,0,0,0|0,0,3]=4 153 B10R0.4 CCCCCCCCC(=O)O TS11031 [0,1,0,0,0,0|0,0,3]=4 154 B10R0.4 CCCCCCCCC(C)Br TS49920 [0,1,0,0,0,0|1,0,2]=4 155 B10R0.4 CCCCCCCCC(C)C TS10780 [0,1,0,0,0,0|1,0,2]=4 156 B10R0.4 CCCCCCCCC(C)O TS41974 [0,1,0,0,0,0|0,0,2]=3 157 B10R0.4 CCCCCCCC[C@H](C)O TS41983 [0,1,0,0,0,0|0,0,2]=3 158 B10R0.71 C#CCCCCCCCCO TS10479 [0,1,0,0,0,0|0,0,3]=4 159 B10R0.71 C(CCCCI)CCCCI TS67166 [0,1,0,0,0,0|1,0,2]=4 160 B10R0.71 C(CCCCN)CCCCN TS41990 [0,1,0,0,0,0|1,0,2]=4 161 B10R0.71 C(CCCCO)CCCCBr TS50279 [0,1,0,0,0,0|0,0,2]=3 162 B10R0.71 C(CCCCO)CCCCCl TS14310 [0,1,0,0,0,0|0,0,2]=3 163 B10R0.71 C(CCCCO)CCCCO TS42203 [0,1,0,0,0,0|0,0,2]=3 164 B10R0.71 C(CCCCS)CCCCS TS17566 [0,1,0,0,0,0|0,1,2]=4 165 B10R0.71 C(CNCCO)CNCCO TS11587 [0,1,0,0,0,0|2,0,1]=4 166 B10R0.71 C(CSCCO)CSCCO TS53738 [0,1,0,0,0,0|2,0,1]=4 167 B10R0.71 C=CCCCCCCCCO TS41685 [0,1,0,0,0,0|0,0,3]=4 168 B10R0.71 CCC=CCCCCCCO TS10743 [0,1,0,0,0,0|0,0,3]=4 169 B10R0.71 CCCCC=CCCCCO TS10746 [0,1,0,0,0,0|0,0,2]=3 170 B10R0.71 CCCCC=CCCCCO TS10765 [0,1,0,0,0,0|0,0,2]=3 171 B10R0.71 CCCCCC#CCCCC TS10232 [0,1,0,0,0,0|1,0,2]=4 172 B10R0.71 CCCCCC#CCCCCl TS13283 [0,1,0,0,0,0|1,0,2]=4 173 B10R0.71 CCCCCC=CC=CC=C TS40931 [0,1,0,0,0,0|1,0,2]=4 174 B10R0.71 CCCCCC=CC=CC=O TS41184 [0,1,0,0,0,0|0,0,3]=4 175 B10R0.71 CCCCCC=CC=CCO TS41441 [0,1,0,0,0,0|0,0,1]=2 176 B10R0.71 CCCCCC=CCCC=O TS10501 [0,1,0,0,0,0|0,0,1]=2 177 B10R0.71 CCCCCC=CCCC=O TS41430 [0,1,0,0,0,0|0,0,1]=2 178 B10R0.71 CCCCCC=CCCCO TS10760 [0,1,0,0,0,0|0,0,0]=1 179 B10R0.71 CCCCCCC#CCCC TS10234 [0,1,0,0,0,0|1,0,2]=4 180 B10R0.71 CCCCCCC#CCCO TS41425 [0,1,0,0,0,0|0,0,2]=3 181 B10R0.71 CCCCCCCC#CCO TS10482 [0,1,0,0,0,0|0,0,3]=4 182 B10R0.71 CCCCCCCC=CCO TS41687 [0,1,0,0,0,0|0,0,2]=3 183 B10R0.71 CCCCCCCCCC#C TS41204 [0,1,0,0,0,0|1,0,2]=4 184 B10R0.71 CCCCCCCCCC#N TS10352 [0,1,0,0,0,0|1,0,2]=4 185 B10R0.71 CCCCCCCCCC=C TS10512 [0,1,0,0,0,0|1,0,2]=4 186 B10R0.71 CCCCCCCCCC=O TS09040 [0,1,0,0,0,0|0,0,3]=4 187 B10R0.71 CCCCCCCCCCBr TS00033 [0,1,0,0,0,0|1,0,2]=4 188 B10R0.71 CCCCCCCCCCC TS10779 [0,1,0,0,0,0|1,0,2]=4 189 B10R0.71 CCCCCCCCCCCl TS92952 [0,1,0,0,0,0|1,0,2]=4 190 B10R0.71 CCCCCCCCCCF TS42224 [0,1,0,0,0,0|1,0,2]=4 191 B10R0.71 CCCCCCCCCCI TS93518 [0,1,0,0,0,0|1,0,2]=4 192 B10R0.71 CCCCCCCCCCN TS41819 [0,1,0,0,0,0|1,0,2]=4 193 B10R0.71 CCCCCCCCCCO TS41975 [0,1,0,0,0,0|0,0,2]=3 194 B10R0.71 CCCCCCCCCCS TS13579 [0,1,0,0,0,0|0,1,2]=4 195 B10R0.71 CCCCCCCCCOC TS11057 [0,1,0,0,0,0|0,0,2]=3 196 B10R0.71 CCCCCCCCCSC TS13577 [0,1,0,0,0,0|0,1,2]=4 197 B10R0.71 CCCCCCCCNCC TS41820 [0,1,0,0,0,0|1,0,2]=4 198 B10R0.71 CCCCCCCCOCCl TS14311 [0,1,0,0,0,0|1,0,2]=4 199 B10R0.71 CCCCCCCCSCC TS13580 [0,1,0,0,0,0|1,0,2]=4 200 B10R0.71 CCCCCCCOCCO TS11305 [0,1,0,0,0,0|0,0,2]=3 201 B10R0.71 CCCCCCNCCC#N TS41450 [0,1,0,0,0,0|2,0,1]=4 202 B10R0.71 CCCCCNCCCCC TS41815 [0,1,0,0,0,0|1,0,2]=4 203 B10R0.71 CCCCCSCCCCC TS13578 [0,1,0,0,0,0|1,0,2]=4 204 B10R0.71 CCCCOCCOCCO TS11577 [0,1,0,0,0,0|1,0,1]=3 205 B10R0.71 CCCCOCOCCCC TS11308 [0,1,0,0,0,0|2,0,1]=4 206 B10R0.71 COCCOCCOCCO TS01743 [0,1,0,0,0,0|2,0,1]=4 207 B10R0.74 CCC(C)CCCCCCBr TS49921 [0,1,0,0,0,0|1,0,2]=4 208 B10R0.74 CCCC=CCOC(=O)CC TS10723 [0,1,0,0,0,0|2,0,1]=4 209 B10R0.74 CCCCCC=CC(=O)OC TS10720 [0,1,0,0,0,0|2,0,1]=4 210 B10R0.74 CCCCCCCC(CC)O TS11069 [0,1,0,0,0,0|1,0,2]=4 211 B10R0.74 CCCCCCCC(CCl)Cl TS18419 [0,1,0,0,0,0|1,0,2]=4 212 B10R0.74 CCCCCCCC(CO)O TS11306 [0,1,0,0,0,0|0,0,2]=3 213 B10R0.91 CCCCC(=O)OCCCC TS11023 [0,1,0,0,0,0|2,0,1]=4 214 B10R0.91 CCCCCC(=O)OCC=C TS41655 [0,1,0,0,0,0|2,0,1]=4 215 B10R0.91 CCCCCC(CCCC)O TS11059 [0,1,0,0,0,0|1,0,2]=4 216 B10R1.4 CCCC1CCCCC1C TS06518 [0,0,0,1,0,0|1,0,2]=4 217 B10R1.4 CCCC1CCCCC1O TS06765 [0,0,0,1,0,0|0,0,2]=3 218 B10R1.4 CCC[C@@H]1CCCC[C@H]1C TS06535 [0,0,0,1,0,0|1,0,2]=4 219 B10R1.4 CCC[C@H]1CCCC[C@H]1C TS06531 [0,0,0,1,0,0|1,0,2]=4 220 B10R1.7 C1CCC[C@@H]([C@@H](CC1)O)O TS06988 [0,0,0,1,0,0|1,0,2]=4 221 B10R1.7 C1CCC[C@@H]([C@H](CC1)O)O TS40198 [0,0,0,1,0,0|1,0,2]=4 222 B10R1.7 C1CCC[C@H]([C@@H](CC1)O)O TS40209 [0,0,0,1,0,0|1,0,2]=4 223 B10R1.17 C1CCC(CC1)CCCN TS37521 [0,0,0,1,0,0|1,0,2]=4 224 B10R1.17 C1CCC(CC1)NCCO TS40111 [0,0,0,1,0,0|1,0,1]=3 225 B10R1.17 C1CCC(CC1)SCCCl TS14314 [0,0,0,1,0,0|2,0,1]=4 226 B10R1.17 C1CCN(CC1)CCCCl TS18562 [0,0,0,1,0,0|2,0,1]=4 227 B10R1.17 C1CCN(CC1)CCCN TS37649 [0,0,0,1,0,0|2,0,1]=4 228 B10R1.17 C1CCN(CC1)CCCO TS40100 [0,0,0,1,0,0|1,0,1]=3 229 B10R1.17 C1CN(CCN1)CCCO TS07014 [0,0,0,1,0,0|2,0,1]=4 230 B10R1.17 C1CNCCC1CCCO TS39294 [0,0,0,1,0,0|1,0,2]=4 231 B10R1.17 C1COCCN1CCCO TS07101 [0,0,0,1,0,0|2,0,1]=4 232 B10R1.17 CCCCN1CCCCC1 TS37523 [0,0,0,1,0,0|2,0,1]=4 233 B10R1.17 CCNCC1CNCCO1 TS06997 [0,0,0,1,0,0|2,0,1]=4 234 B10R1.20 C1CC[C@@H]([C@H](C1)CO)CO TS93683 [0,0,0,1,0,0|1,0,2]=4 235 B10R1.20 C1CC[C@H]([C@@H](C1)CO)CO TS93987 [0,0,0,1,0,0|1,0,2]=4 236 B10R1.20 C1CC[C@H]([C@H](C1)CO)CO TS06980 [0,0,0,1,0,0|1,0,2]=4 237 B10R1.21 C1COC(O1)CCCCCl TS11960 [0,0,0,1,0,0|2,0,1]=4 238 B10R1.21 CCCCCC1CCCC1 TS37439 [0,0,0,1,0,0|1,0,2]=4 239 B10R1.21 CCCCCC1CCCC1 TS82003 [0,0,0,1,0,0|1,0,2]=4 240 B10R1.21 CCCCCc1cccs1 TS10504 [0,0,0,1,0,0|0,1,2]=4 241 B10R1.21 CCCCCc1ccsc1 TS41456 [0,0,0,1,0,0|2,0,1]=4 242 B10R1.21 CCCCOC1CCCO1 TS06978 [0,0,0,1,0,0|1,0,2]=4 243 B10R1.85 C1CCCC(CC1)CCN TS06625 [0,0,0,1,0,0|1,0,2]=4 244 B10R1.85 C1CCCN(CC1)CCCl TS42366 [0,0,0,1,0,0|2,0,1]=4 245 B10R1.85 C1CCCN(CC1)CCN TS37666 [0,0,0,1,0,0|2,0,1]=4 246 B10R1.85 C1CCCN(CC1)CCO TS40104 [0,0,0,1,0,0|1,0,1]=3 247 B10R1.85 C1CNCCN(C1)CCO TS39233 [0,0,0,1,0,0|2,0,1]=4 248 B10R1.161 C1CCCC(CCC1)CI TS63089 [0,0,0,1,0,0|1,0,2]=4 249 B10R1.161 C1CCCC(CCC1)CN TS37522 [0,0,0,1,0,0|1,0,2]=4 250 B10R1.177 CCCCCOC[C@H]1CO1 TS06975 [0,0,0,1,0,0|1,0,1]=3 251 B10R1.185 C1CCCCC=CCCC1 TS06318 [0,0,0,1,0,0|1,0,0]=2 252 B10R1.185 C1CCCCCCCCC1 TS06536 [0,0,0,1,0,0|1,0,2]=4 253 B7R0.1 C#CCCCCCO TS01237 [2,0,0,0,0,0|0,0,2]=4 254 B7R0.1 C(CCCBr)CCBr TS07890 [2,0,0,0,0,0|2,0,0]=4 255 B7R0.1 C(CCCBr)CCCl TS00416 [2,0,0,0,0,0|2,0,0]=4 256 B7R0.1 C(CCCBr)CCO TS59727 [2,0,0,0,0,0|1,0,0]=3 257 B7R0.1 C(CCCCl)CCCl TS10546 [2,0,0,0,0,0|2,0,0]=4 258 B7R0.1 C(CCCCl)CCO TS06143 [2,0,0,0,0,0|1,0,0]=3 259 B7R0.1 C(CCCI)CCCl TS27509 [2,0,0,0,0,0|2,0,0]=4 260 B7R0.1 C(CCCN)CCN TS04632 [2,0,0,0,0,0|2,0,0]=4 261 B7R0.1 C(CCCN)CCN TS41228 [2,0,0,0,0,0|2,0,0]=4 262 B7R0.1 C(CCCN)CCN TS41960 [2,0,0,0,0,0|2,0,0]=4 263 B7R0.1 C(CCCN)CCN TS42181 [2,0,0,0,0,0|2,0,0]=4 264 B7R0.1 C(CCCO)CCN TS39356 [2,0,0,0,0,0|1,0,0]=3 265 B7R0.1 C(CCCO)CCO TS46825 [2,0,0,0,0,0|1,0,0]=3 266 B7R0.1 C(CCCS)CCO TS36872 [2,0,0,0,0,0|1,0,0]=3 267 B7R0.1 C(CCCS)CCS TS40940 [2,0,0,0,0,0|1,1,0]=4 268 B7R0.1 C(CCC[Zn+])CCCl TS68903 [2,0,0,0,0,0|2,0,0]=4 269 B7R0.1 C(CCO)CC=NO TS04658 [2,0,0,0,0,0|2,0,0]=4 270 B7R0.1 C(CN)CNCCO TS56334 [2,0,0,0,0,0|2,0,0]=4 271 B7R0.1 C(CNCCN)CO TS32350 [2,0,0,0,0,0|2,0,0]=4 272 B7R0.1 C(CNCCO)CO TS04790 [2,0,0,0,0,0|2,0,0]=4 273 B7R0.1 C=CCCCCCO TS04461 [2,0,0,0,0,0|0,0,2]=4 274 B7R0.1 CC=CCCC=CC TS31853 [2,0,0,0,0,0|0,0,2]=4 275 B7R0.1 CCC=CC=CCO TS31934 [2,0,0,0,0,0|0,0,2]=4 276 B7R0.1 CCC=CCCC=O TS04313 [2,0,0,0,0,0|1,0,1]=4 277 B7R0.1 CCC=CCCCO TS04463 [2,0,0,0,0,0|1,0,0]=3 278 B7R0.1 CCCC#CCCO TS31945 [2,0,0,0,0,0|0,0,2]=4 279 B7R0.1 CCCC=CC=CC TS31845 [2,0,0,0,0,0|0,0,2]=4 280 B7R0.1 CCCC=CCC=C TS31855 [2,0,0,0,0,0|1,0,1]=4 281 B7R0.1 CCCC=CCCC TS31958 [2,0,0,0,0,0|1,0,0]=3 282 B7R0.1 CCCC=CCCO TS04459 [2,0,0,0,0,0|0,0,0]=2 283 B7R0.1 CCCC=COCC TS04469 [2,0,0,0,0,0|1,0,1]=4 284 B7R0.1 CCCCC#CCC TS31859 [2,0,0,0,0,0|0,0,2]=4 285 B7R0.1 CCCCC#CCO TS31930 [2,0,0,0,0,0|0,0,2]=4 286 B7R0.1 CCCCC=CC=C TS31850 [2,0,0,0,0,0|0,0,2]=4 287 B7R0.1 CCCCC=CC=O TS04311 [2,0,0,0,0,0|0,0,2]=4 288 B7R0.1 CCCCC=CCC TS04348 [2,0,0,0,0,0|0,0,0]=2 289 B7R0.1 CCCCC=CCC TS31974 [2,0,0,0,0,0|0,0,0]=2 290 B7R0.1 CCCCC=CCO TS32112 [2,0,0,0,0,0|0,0,0]=2 291 B7R0.1 CCCCCC#CC TS31856 [2,0,0,0,0,0|0,0,2]=4 292 B7R0.1 CCCCCC=CC TS31964 [2,0,0,0,0,0|0,0,0]=2 293 B7R0.1 CCCCCCC#C TS31852 [2,0,0,0,0,0|1,0,1]=4 294 B7R0.1 CCCCCCC#N TS31893 [2,0,0,0,0,0|1,0,1]=4 295 B7R0.1 CCCCCCC=O TS32096 [2,0,0,0,0,0|0,0,2]=4 296 B7R0.1 CCCCCCCBr TS00035 [2,0,0,0,0,0|1,0,0]=3 297 B7R0.1 CCCCCCCCl TS36887 [2,0,0,0,0,0|1,0,0]=3 298 B7R0.1 CCCCCCCF TS32353 [2,0,0,0,0,0|1,0,0]=3 299 B7R0.1 CCCCCCCI TS52275 [2,0,0,0,0,0|1,0,0]=3 300 B7R0.1 CCCCCCCN TS04552 [2,0,0,0,0,0|1,0,0]=3 301 B7R0.1 CCCCCCCO TS32232 [2,0,0,0,0,0|0,0,0]=2 302 B7R0.1 CCCCCCCS TS05788 [2,0,0,0,0,0|0,1,0]=3 303 B7R0.1 CCCCCCNC TS04559 [2,0,0,0,0,0|1,0,1]=4 304 B7R0.1 CCCCCCOC TS32254 [2,0,0,0,0,0|1,0,1]=4 305 B7R0.1 CCCCCCSC TS05792 [2,0,0,0,0,0|1,0,1]=4 306 B7R0.1 CCCCCNCC TS04550 [2,0,0,0,0,0|1,0,0]=3 307 B7R0.1 CCCCCOCC TS32236 [2,0,0,0,0,0|1,0,0]=3 308 B7R0.1 CCCCCSCC TS36717 [2,0,0,0,0,0|1,0,0]=3 309 B7R0.1 CCCCNCCC TS04557 [2,0,0,0,0,0|1,0,1]=4 310 B7R0.1 CCCCNCCN TS04633 [2,0,0,0,0,0|2,0,0]=4 311 B7R0.1 CCCCNCCO TS32289 [2,0,0,0,0,0|1,0,0]=3 312 B7R0.1 CCCCNCCS TS36787 [2,0,0,0,0,0|1,1,0]=4 313 B7R0.1 CCCCOCCBr TS48031 [2,0,0,0,0,0|2,0,0]=4 314 B7R0.1 CCCCOCCCl TS06142 [2,0,0,0,0,0|2,0,0]=4 315 B7R0.1 CCCCOCCO TS04738 [2,0,0,0,0,0|1,0,0]=3 316 B7R0.1 CCCCSCCC TS05790 [2,0,0,0,0,0|1,0,1]=4 317 B7R0.1 CCCCSCCO TS36874 [2,0,0,0,0,0|1,0,0]=3 318 B7R0.1 CCCCSSCC TS40937 [2,0,0,0,0,0|2,0,0]=4 319 B7R0.1 CCCNCCCN TS32259 [2,0,0,0,0,0|2,0,0]=4 320 B7R0.1 CCCOCCCN TS32295 [2,0,0,0,0,0|2,0,0]=4 321 B7R0.1 CCNCCCCN TS36623 [2,0,0,0,0,0|2,0,0]=4 322 B7R0.1 CCNCCCCO TS32294 [2,0,0,0,0,0|1,0,0]=3 323 B7R0.1 CCNCCNCC TS32258 [2,0,0,0,0,0|2,0,0]=4 324 B7R0.1 CCOCCCCCl TS06141 [2,0,0,0,0,0|2,0,0]=4 325 B7R0.1 CCOCCOCC TS32341 [2,0,0,0,0,0|2,0,0]=4 326 B9R0.2 B(C=CCCCCC)(O)O TS06634 [1,1,0,0,0,0|1,0,0]=3 327 B9R0.2 CC(C)CCCCCCBr TS39155 [1,1,0,0,0,0|1,0,1]=4 328 B9R0.2 CC(C)CCCCCCN TS06894 [1,1,0,0,0,0|1,0,1]=4 329 B9R0.2 CCC=CCCOC(=O)C TS37598 [1,1,0,0,0,0|1,0,1]=4 330 B9R0.2 CCCCC=CCC(=O)O TS37609 [1,1,0,0,0,0|0,0,1]=3 331 B9R0.2 CCCCCC=CC(=O)O TS06694 [1,1,0,0,0,0|0,0,1]=3 332 B9R0.2 CCCCCCCC(=O)O TS40219 [1,1,0,0,0,0|0,0,2]=4 333 B9R0.2 CCCCCCCC(C)Br TS39158 [1,1,0,0,0,0|0,0,2]=4 334 B9R0.2 CCCCCCCC(C)C TS37672 [1,1,0,0,0,0|0,0,2]=4 335 B9R0.2 CCCCCCC[C@@H](C)N TS06891 [1,1,0,0,0,0|0,0,2]=4 336 B9R0.2 CCCCCCC[C@H](C)N TS06890 [1,1,0,0,0,0|0,0,2]=4 337 B9R0.2 CN(C)CCCCCCO TS40334 [1,1,0,0,0,0|1,0,1]=4 338 B9R0.5 CCC=CCC(=O)OCC TS06708 [1,1,0,0,0,0|1,0,1]=4 339 B9R0.5 CCCCCC(=O)CCC TS06764 [1,1,0,0,0,0|0,0,1]=3 340 B9R0.5 CCCCCC(=O)OCC TS06974 [1,1,0,0,0,0|1,0,0]=3 341 B9R0.5 CCCCCC(C)CCC TS37671 [1,1,0,0,0,0|0,0,2]=4 342 B9R0.5 CCCCCC(CCC)O TS40239 [1,1,0,0,0,0|0,0,2]=4 343 B9R0.5 CCCCOC(=O)CCC TS40200 [1,1,0,0,0,0|1,0,1]=4 344 B9R0.5 CCCCOC(=O)CCCl TS11957 [1,1,0,0,0,0|2,0,0]=4 345 B9R0.5 CCCCOC(=O)CCS TS11614 [1,1,0,0,0,0|1,1,0]=4 346 B9R0.5 CCOC(=O)CCCCBr TS20688 [1,1,0,0,0,0|2,0,0]=4 347 B9R0.5 CCOC(=O)CCCC[Zn+] TS33641 [1,1,0,0,0,0|2,0,0]=4 348 B9R0.5 CCOCCC(=O)OCC TS00147 [1,1,0,0,0,0|2,0,0]=4 349 B9R0.18 CCCCC(=O)CCCC TS39918 [1,1,0,0,0,0|1,0,1]=4 350 B9R0.18 CCCCC(=O)OCCC TS06971 [1,1,0,0,0,0|2,0,0]=4 351 B9R0.18 CCCCC(C)CCCC TS06794 [1,1,0,0,0,0|0,0,2]=4 352 B9R0.18 CCCCC(CCCC)N TS06896 [1,1,0,0,0,0|0,0,2]=4 353 B9R0.18 CCCCC(CCCC)O TS40240 [1,1,0,0,0,0|0,0,2]=4 354 B9R0.46 C(CCC(CO)O)CCO TS40640 [1,1,0,0,0,0|1,0,1]=4 355 B9R0.46 CCCCCCC(=O)CC TS06757 [1,1,0,0,0,0|0,0,1]=3 356 B9R0.46 CCCCCCC(=O)OC TS06976 [1,1,0,0,0,0|1,0,1]=4 357 B9R0.46 CCCCCCC(C)CBr TS39157 [1,1,0,0,0,0|1,0,1]=4 358 B9R0.46 CCCCCCC(C)CC TS37670 [1,1,0,0,0,0|0,0,2]=4 359 B9R0.46 CCCCCCC(CC)O TS40234 [1,1,0,0,0,0|0,0,2]=4 360 B9R0.46 CCCCCCC(CCl)Cl TS48396 [1,1,0,0,0,0|1,0,1]=4 361 B9R0.46 CCCCCCC(CO)O TS07249 [1,1,0,0,0,0|0,0,1]=3 362 B9R0.46 CCCCCC[C@@H](CO)O TS07255 [1,1,0,0,0,0|0,0,1]=3 363 B9R0.46 CCCCCC[C@H](CF)O TS07486 [1,1,0,0,0,0|1,0,1]=4 364 B9R0.46 CCCCCC[C@H](CO)O TS07254 [1,1,0,0,0,0|0,0,1]=3 365 B9R0.46 CCCCCOC(=O)CC TS06970 [1,1,0,0,0,0|1,0,0]=3 366 B9R0.46 CCCCCOC(=O)CN TS48166 [1,1,0,0,0,0|2,0,0]=4 367 B9R0.46 CC[C@H](C)CCCCCO TS40233 [1,1,0,0,0,0|0,0,1]=3 368 B11R0.2 CCCCCCC(=O)CC(C)C TS45202 [0,2,0,0,0,0|1,0,1]=4 369 B11R0.2 CCCCCOC(=O)CC(C)C TS45521 [0,2,0,0,0,0|2,0,0]=4 370 B11R0.4 CCCC=CCCC(=O)OCC TS12853 [0,2,0,0,0,0|1,0,1]=4 371 B11R0.4 CCCC=CCOC(=O)CCC TS45154 [0,2,0,0,0,0|1,0,1]=4 372 B11R0.4 CCCCCC=CC(=O)OCC TS12851 [0,2,0,0,0,0|1,0,1]=4 373 B11R0.4 CCCCCCOC(=O)CCC TS45526 [0,2,0,0,0,0|1,0,1]=4 374 B11R0.81 CCCCCCC(=O)OCCC TS13224 [0,2,0,0,0,0|1,0,1]=4 375 B11R0.81 CCCCCOC(=O)CCCC TS45500 [0,2,0,0,0,0|1,0,1]=4 376 B11R0.142 CCCCCOC(=O)C(C)CC TS45524 [0,2,0,0,0,0|2,0,0]=4 377 B11R0.142 CCCCCOC(=O)[C@H](CS)N TS24439 [0,2,0,0,0,0|1,1,0]=4 378 B11R0.40 C(CCCC(CO)O)CCCO TS46147 [0,2,0,0,0,0|0,0,2]=4 379 B11R0.40 CCCCCC=CCC(=O)OC TS12844 [0,2,0,0,0,0|0,0,1]=3 380 B11R0.40 CCCCCCCCC(CC)O TS45539 [0,2,0,0,0,0|0,0,2]=4 381 B11R0.40 CCCCCCCCC(CO)O TS45836 [0,2,0,0,0,0|0,0,2]=4 382 B11R0.40 CCCCCCCC[C@@H](CO)O TS45841 [0,2,0,0,0,0|0,0,2]=4 383 B11R0.40 CCCCCCCC[C@H](CO)O TS45840 [0,2,0,0,0,0|0,0,2]=4 384 B11R0.46 CCCCCC(=O)OCC(C)C TS45502 [0,2,0,0,0,0|2,0,0]=4 385 B11R0.148 CCCCC=CCCCC(=O)O TS45176 [0,2,0,0,0,0|0,0,2]=4 386 B11R0.148 CCCCCC=CCCC(=O)O TS45160 [0,2,0,0,0,0|0,0,0]=2 387 B11R0.148 CCCCCC=CCOC(=O)C TS45165 [0,2,0,0,0,0|0,0,2]=4 388 B11R0.148 CCCCCCCCCC(=O)O TS45503 [0,2,0,0,0,0|0,0,2]=4 389 B11R0.148 CCCCOCCOCC(C)O TS46148 [0,2,0,0,0,0|1,0,1]=4 390 B11R0.148 CN(C)CCCCCCCCO TS45676 [0,2,0,0,0,0|0,0,2]=4 391 B11R0.3 C#CCCCCCCCCCO TS44914 [0,2,0,0,0,0|0,0,2]=4 392 B11R0.3 C(CCCCCBr)CCCCO TS34605 [0,2,0,0,0,0|0,0,2]=4 393 B11R0.3 C(CCCCCCl)CCCCO TS51578 [0,2,0,0,0,0|0,0,2]=4 394 B11R0.3 C(CCCCCO)CCCCN TS45677 [0,2,0,0,0,0|0,0,2]=4 395 B11R0.3 C(CCCCCO)CCCCO TS07870 [0,2,0,0,0,0|0,0,2]=4 396 B11R0.3 C(CCSCCO)CSCCO TS43873 [0,2,0,0,0,0|1,0,1]=4 397 B11R0.3 C=CCCCCCCCCCO TS12885 [0,2,0,0,0,0|0,0,2]=4 398 B11R0.3 CCCCCCC=CC=CCO TS44924 [0,2,0,0,0,0|0,0,1]=3 399 B11R0.3 CCCCCCCCC=CCO TS12884 [0,2,0,0,0,0|0,0,2]=4 400 B11R0.3 CCCCCCCCCCCO TS45537 [0,2,0,0,0,0|0,0,2]=4 401 B11R0.3 CCCCCCCCCCOC TS45542 [0,2,0,0,0,0|0,0,2]=4 402 B11R0.3 CCCCCCCCCOC=O TS13219 [0,2,0,0,0,0|0,0,2]=4 403 B11R0.3 CCCCCCCCOCCO TS45839 [0,2,0,0,0,0|0,0,2]=4 404 B11R0.3 CCCCCCCCSCCO TS51196 [0,2,0,0,0,0|0,0,2]=4 405 B11R0.3 CCCCCOCCOCCO TS46149 [0,2,0,0,0,0|0,0,2]=4 406 B11R0.3 CCCCOCCOCCOC TS46151 [0,2,0,0,0,0|1,0,1]=4 407 B11R0.3 CCOCCOCCOCCO TS14214 [0,2,0,0,0,0|1,0,1]=4 408 B11R0.140 CCCCCC(=O)CCCCC TS45197 [0,2,0,0,0,0|1,0,1]=4 409 B11R0.11 CCCCC(C(=O)CCCC)O TS45505 [0,2,0,0,0,0|1,0,1]=4 410 B11R0.152 CCCCC(CC)COCCO TS45835 [0,2,0,0,0,0|1,0,1]=4 411 B9R1.5 C1CC[C@@H]([C@H](CC1)O)O TS05544 [1,0,0,1,0,0|1,0,1]=4 412 B9R1.5 C1CC[C@H]([C@@H](CC1)O)O TS05561 [1,0,0,1,0,0|1,0,1]=4 413 B9R1.8 C1CC(CNC1)CCO TS32945 [1,0,0,1,0,0|1,0,1]=4 414 B9R1.8 C1CCC(=CC#N)CC1 TS32468 [1,0,0,1,0,0|1,0,1]=4 415 B9R1.8 C1CCC(=CC1)CC#N TS32465 [1,0,0,1,0,0|1,0,1]=4 416 B9R1.8 C1CCC(=CC1)CCN TS05119 [1,0,0,1,0,0|1,0,0]=3 417 B9R1.8 C1CCC(CC1)CCBr TS17234 [1,0,0,1,0,0|1,0,1]=4 418 B9R1.8 C1CCC(CC1)CCN TS11778 [1,0,0,1,0,0|1,0,1]=4 419 B9R1.8 C1CCC(CC1)CCN TS36254 [1,0,0,1,0,0|1,0,1]=4 420 B9R1.8 C1CCN(CC1)CCCl TS07395 [1,0,0,1,0,0|2,0,0]=4 421 B9R1.8 C1CCN(CC1)CCCl TS15231 [1,0,0,1,0,0|2,0,0]=4 422 B9R1.8 C1CCN(CC1)CCN TS22816 [1,0,0,1,0,0|2,0,0]=4 423 B9R1.8 C1CCN(CC1)CCO TS05482 [1,0,0,1,0,0|1,0,0]=3 424 B9R1.8 C1CCNC(C1)CCO TS02459 [1,0,0,1,0,0|1,0,1]=4 425 B9R1.8 C1CCOC(C1)CCN TS05479 [1,0,0,1,0,0|1,0,1]=4 426 B9R1.8 C1CN(CCN1)CCO TS56335 [1,0,0,1,0,0|2,0,0]=4 427 B9R1.8 C1CNCCC1CCO TS71281 [1,0,0,1,0,0|1,0,1]=4 428 B9R1.8 C1COCCC1CCO TS60058 [1,0,0,1,0,0|1,0,1]=4 429 B9R1.8 C1COCCN1CCO TS36591 [1,0,0,1,0,0|2,0,0]=4 430 B9R1.8 C1CSCCN1CCO TS23011 [1,0,0,1,0,0|2,0,0]=4 431 B9R1.8 C=CC=C1CCCCC1 TS32533 [1,0,0,1,0,0|0,0,2]=4 432 B9R1.8 C=CCC1=CCCCC1 TS32535 [1,0,0,1,0,0|1,0,1]=4 433 B9R1.8 CCCC1CCCCC1 TS36184 [1,0,0,1,0,0|0,0,2]=4 434 B9R1.8 CCCC1CCCCN1 TS02180 [1,0,0,1,0,0|1,0,1]=4 435 B9R1.8 CCCC1CCCCN1 TS11779 [1,0,0,1,0,0|1,0,1]=4 436 B9R1.8 CCCC1CCCCO1 TS05388 [1,0,0,1,0,0|0,0,1]=3 437 B9R1.8 CCCC1CCNCC1 TS11777 [1,0,0,1,0,0|1,0,1]=4 438 B9R1.8 CCCC1CCNCC1 TS36258 [1,0,0,1,0,0|1,0,1]=4 439 B9R1.8 CCNC1CCCCC1 TS36260 [1,0,0,1,0,0|1,0,1]=4 440 B9R1.8 CCOC1=CCCCC1 TS05194 [1,0,0,1,0,0|1,0,1]=4 441 B9R1.8 CCOC1CCC=CO1 TS36292 [1,0,0,1,0,0|2,0,0]=4 442 B9R1.8 CNCC1CCCCO1 TS36422 [1,0,0,1,0,0|1,0,1]=4 443 B9R1.8 CNCC1CNCCO1 TS36521 [1,0,0,1,0,0|2,0,0]=4 444 B9R1.8 CNCC1COCCO1 TS05656 [1,0,0,1,0,0|2,0,0]=4 445 B9R1.12 C1CCN(C1)CCCO TS36426 [1,0,0,1,0,0|1,0,1]=4 446 B9R1.12 C1COC(O1)CCCCl TS09964 [1,0,0,1,0,0|2,0,0]=4 447 B9R1.12 CCC=CC1CCCC1 TS05058 [1,0,0,1,0,0|0,0,0]=2 448 B9R1.12 CCCCC1=CCCC1 TS05061 [1,0,0,1,0,0|1,0,0]=3 449 B9R1.12 CCCCC1CCCC1 TS36178 [1,0,0,1,0,0|0,0,2]=4 450 B9R1.12 CCCCC1CCCC1 TS61460 [1,0,0,1,0,0|0,0,2]=4 451 B9R1.12 CCCCC1CCCC1 TS66426 [1,0,0,1,0,0|0,0,2]=4 452 B9R1.12 CCCCC1CCCC1 TS71915 [1,0,0,1,0,0|0,0,2]=4 453 B9R1.12 CCCCC1CCCC1 TS81233 [1,0,0,1,0,0|0,0,2]=4 454 B9R1.12 CCCCC1CCCC1 TS81832 [1,0,0,1,0,0|0,0,2]=4 455 B9R1.12 CCCCC1CCCC1 TS83585 [1,0,0,1,0,0|0,0,2]=4 456 B9R1.12 CCCCc1ccco1 TS35998 [1,0,0,1,0,0|0,0,2]=4 457 B9R1.12 CCOCC1CCCO1 TS36503 [1,0,0,1,0,0|1,0,1]=4 458 B9R1.12 CNCCC1OCCO1 TS05654 [1,0,0,1,0,0|2,0,0]=4 459 B9R1.14 CC[C@@H]1CCC[C@H]1CC TS05207 [1,0,0,1,0,0|0,0,2]=4 460 B9R1.15 C1C=CC[C@@H]([C@@H]1CO)N TS11772 [1,0,0,1,0,0|2,0,0]=4 461 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O TS59456 [1,0,0,1,0,0|1,0,1]=4 462 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N TS12117 [1,0,0,1,0,0|1,0,1]=4 463 B9R1.15 C1CC[C@H]([C@H](C1)CN)O TS12116 [1,0,0,1,0,0|1,0,1]=4 464 B9R1.15 C1CC[C@H]([C@H](C1)CO)N TS12118 [1,0,0,1,0,0|1,0,1]=4 465 B9R1.15 C1CNC[C@@H]([C@@H]1CN)O TS92768 [1,0,0,1,0,0|2,0,0]=4 466 B9R1.15 C1CNC[C@@H]([C@@H]1CO)O TS92509 [1,0,0,1,0,0|2,0,0]=4 467 B9R1.15 C1CNC[C@@H]([C@H]1CO)O TS92800 [1,0,0,1,0,0|2,0,0]=4 468 B9R1.15 C1CNC[C@H]([C@@H]1CN)O TS92155 [1,0,0,1,0,0|2,0,0]=4 469 B9R1.15 CC1CC=CCC1CO TS05187 [1,0,0,1,0,0|0,0,2]=4 470 B9R1.15 CC[C@@H]1CCCC[C@@H]1C TS05230 [1,0,0,1,0,0|0,0,2]=4 471 B9R1.15 CC[C@@H]1CCCC[C@H]1C TS05214 [1,0,0,1,0,0|0,0,2]=4 472 B9R1.15 CN1CCCCC1CO TS46982 [1,0,0,1,0,0|1,0,1]=4 473 B9R1.15 CN[C@@H]1CCCC[C@H]1O TS94624 [1,0,0,1,0,0|1,0,1]=4 474 B9R1.15 CN[C@@H]1CCCC[C@H]1O TS94625 [1,0,0,1,0,0|1,0,1]=4 475 B9R1.15 CO[C@H]1CCCC[C@@H]1O TS05565 [1,0,0,1,0,0|1,0,1]=4 476 B9R1.33 CN1CCCC1CCO TS16652 [1,0,0,1,0,0|1,0,1]=4 477 B9R1.50 C1CCCC(CCC1)Br TS17235 [1,0,0,1,0,0|1,0,1]=4 478 B9R1.50 CC1=CCCCCCC1 TS05043 [1,0,0,1,0,0|0,0,2]=4 479 B9R1.50 CC1CC=CCCC=C1 TS32528 [1,0,0,1,0,0|0,0,2]=4 480 B9R1.50 CC1CCCCCC=C1 TS05055 [1,0,0,1,0,0|0,0,0]=2 481 B9R1.50 CC1CCCCCCC1 TS05222 [1,0,0,1,0,0|0,0,2]=4 482 B9R1.83 CCCCCCC1CO1 TS05397 [1,0,0,1,0,0|0,0,1]=3 483 B9R1.83 CCCCCC[C@@H]1CO1 TS05392 [1,0,0,1,0,0|0,0,1]=3 484 B9R1.83 CCCCOCC1CO1 TS36506 [1,0,0,1,0,0|1,0,1]=4 485 B9R1.89 C1CCC=C(CC1)C#N TS32476 [1,0,0,1,0,0|1,0,1]=4 486 B9R1.89 C1CCCC(=NO)CC1 TS05273 [1,0,0,1,0,0|1,0,1]=4 487 B9R1.89 C1CCCC(CC1)CI TS26149 [1,0,0,1,0,0|1,0,1]=4 488 B9R1.89 C1CCCC(CC1)CN TS01403 [1,0,0,1,0,0|1,0,1]=4 489 B9R1.89 C1CCCC(CC1)CO TS05384 [1,0,0,1,0,0|0,0,1]=3 490 B9R1.89 CC=C1CCCCCC1 TS05056 [1,0,0,1,0,0|0,0,2]=4 491 B9R1.89 COC1=NCCCCC1 TS36236 [1,0,0,1,0,0|2,0,0]=4 492 B11R1.4 CCCCCCC1OCCO1 TS41943 [0,1,0,1,0,0|0,0,2]=4 493 B11R1.16 CCCC(=O)C1CCCCC1 TS41427 [0,1,0,1,0,0|1,0,1]=4 494 B11R1.24 CCCCC1CCCC(=O)O1 TS10721 [0,1,0,1,0,0|2,0,0]=4 495 B11R1.101 C1CCCCC(=O)CCCC1 TS59759 [0,1,0,1,0,0|1,0,1]=4 496 B11R1.101 C1CCCCC(CCCC1)O TS10745 [0,1,0,1,0,0|0,0,2]=4 497 B11R1.180 CCCCCC1=CCCC1=O TS41181 [0,1,0,1,0,0|0,0,1]=3 498 B11R1.180 CCCCCC1CCCC1=O TS41436 [0,1,0,1,0,0|1,0,1]=4 499 B11R1.180 CCCCCN1CCCC1=O TS10609 [0,1,0,1,0,0|2,0,0]=4 500 B11R1.230 CCCCC1C(CC(=O)O1)C TS41641 [0,1,0,1,0,0|2,0,0]=4 501 B11R1.27 CCCCCC1OCC(O1)C TS11037 [0,1,0,1,0,0|1,0,1]=4 502 B11R1.99 CCCCCCCCC1CO1 TS10750 [0,1,0,1,0,0|0,0,2]=4 503 B11R1.99 CCCCCCCC[C@@H]1CO1 TS41692 [0,1,0,1,0,0|0,0,2]=4 504 B11R1.99 CCCCCCOC[C@H]1CO1 TS11040 [0,1,0,1,0,0|0,0,2]=4 505 B11R1.17 CCCC=C1CCCCC1=O TS41180 [0,1,0,1,0,0|1,0,1]=4 506 B11R1.17 CCCCC1CCCCC1O TS10744 [0,1,0,1,0,0|0,0,2]=4 507 B11R1.28 C1CCC(CC1)CCCCO TS41690 [0,1,0,1,0,0|0,0,2]=4 508 B11R1.40 C1CCC(CC1)C=C(CO)Br TS22544 [0,1,0,1,0,0|0,0,2]=4 509 B11R1.40 C1CCC(CC1)C[C@@H](CO)N TS33129 [0,1,0,1,0,0|0,0,2]=4 510 B11R1.40 C1CCN(CC1)CC(CO)O TS11167 [0,1,0,1,0,0|1,0,1]=4 511 B11R1.40 CC(CN1CCCCC1)CO TS10892 [0,1,0,1,0,0|1,0,1]=4 512 B11R2.1098 C1CC2CNCC2(C1)CO TS06611 [0,0,0,2,0,0|1,0,1]=4 513 B11R2.1261 C1CCC2(CC1)OCCO2 TS06718 [0,0,0,2,0,0|1,0,1]=4 514 B11R2.2 C1CCC(C1)C2=CCCC2 TS06125 [0,0,0,2,0,0|1,0,0]=3 515 B11R2.2 C1CCN(C1)C2=CCCC2 TS06207 [0,0,0,2,0,0|2,0,0]=4