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(CNCCO)NCCO TS07481 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.45 C(COCCOCCCl)O TS44946 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.45 C(COCCOCCO)N TS40739 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.45 C(COCCOCCO)O TS09857 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.45 C(COCCOCCS)O TS12275 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.45 C(CSCCSCCO)O TS48337 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.45 C=CCCCCCCCO TS37642 [0,0,0,0,0,0|0,0,4]=4 17 B9R0.45 CC=CC=CCCCCO TS06516 [0,0,0,0,0,0|2,0,2]=4 18 B9R0.45 CCC=CCC=CCCO TS06496 [0,0,0,0,0,0|0,0,4]=4 19 B9R0.45 CCC=CCC=CCCO TS06509 [0,0,0,0,0,0|0,0,4]=4 20 B9R0.45 CCC=CCCC=CC=O TS37213 [0,0,0,0,0,0|0,0,4]=4 21 B9R0.45 CCC=CCCC=CCC TS06314 [0,0,0,0,0,0|1,0,2]=3 22 B9R0.45 CCC=CCCC=CCO TS06504 [0,0,0,0,0,0|0,0,2]=2 23 B9R0.45 CCC=CCCCCC=O TS06506 [0,0,0,0,0,0|2,0,1]=3 24 B9R0.45 CCC=CCCCCCO TS06747 [0,0,0,0,0,0|2,0,0]=2 25 B9R0.45 CCC=CCCOCC=O TS37602 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.45 CCCCC=CC=CC=O TS37223 [0,0,0,0,0,0|0,0,4]=4 27 B9R0.45 CCCCC=CC=CCO TS06495 [0,0,0,0,0,0|0,0,2]=2 28 B9R0.45 CCCCCC#CCCC TS06313 [0,0,0,0,0,0|1,0,3]=4 29 B9R0.45 CCCCCC#CCCO TS06497 [0,0,0,0,0,0|0,0,3]=3 30 B9R0.45 CCCCCC=CCCC TS06525 [0,0,0,0,0,0|1,0,2]=3 31 B9R0.45 CCCCCC=CCCC TS06539 [0,0,0,0,0,0|1,0,2]=3 32 B9R0.45 CCCCCC=CCCO TS06745 [0,0,0,0,0,0|0,0,2]=2 33 B9R0.45 CCCCCC=COCC TS06766 [0,0,0,0,0,0|2,0,1]=3 34 B9R0.45 CCCCCCC#CCC TS06319 [0,0,0,0,0,0|1,0,2]=3 35 B9R0.45 CCCCCCC#CCO TS06501 [0,0,0,0,0,0|0,0,2]=2 36 B9R0.45 CCCCCCC=CC=O TS37409 [0,0,0,0,0,0|0,0,2]=2 37 B9R0.45 CCCCCCC=CCC TS06528 [0,0,0,0,0,0|1,0,0]=1 38 B9R0.45 CCCCCCC=CCC TS06538 [0,0,0,0,0,0|1,0,0]=1 39 B9R0.45 CCCCCCC=CCO TS37637 [0,0,0,0,0,0|0,0,0]=0 40 B9R0.45 CCCCCCCC#CC TS06312 [0,0,0,0,0,0|1,0,3]=4 41 B9R0.45 CCCCCCCCC#C TS06311 [0,0,0,0,0,0|1,0,3]=4 42 B9R0.45 CCCCCCCCC=C TS06521 [0,0,0,0,0,0|1,0,3]=4 43 B9R0.45 CCCCCCCCC=O TS06760 [0,0,0,0,0,0|0,0,4]=4 44 B9R0.45 CCCCCCCCCBr TS00421 [0,0,0,0,0,0|1,0,2]=3 45 B9R0.45 CCCCCCCCCC TS37669 [0,0,0,0,0,0|1,0,2]=3 46 B9R0.45 CCCCCCCCCF TS40465 [0,0,0,0,0,0|1,0,2]=3 47 B9R0.45 CCCCCCCCCN TS06895 [0,0,0,0,0,0|1,0,2]=3 48 B9R0.45 CCCCCCCCCO TS07020 [0,0,0,0,0,0|0,0,2]=2 49 B9R0.45 CCCCCCCCCS TS11320 [0,0,0,0,0,0|0,1,2]=3 50 B9R0.45 CCCCCCCCNC TS06887 [0,0,0,0,0,0|2,0,2]=4 51 B9R0.45 CCCCCCCCSC TS11321 [0,0,0,0,0,0|2,0,2]=4 52 B9R0.45 CCCCCCCC[Mg]Br TS22286 [0,0,0,0,0,0|2,0,2]=4 53 B9R0.45 CCCCCCCN=C=O TS37514 [0,0,0,0,0,0|1,0,3]=4 54 B9R0.45 CCCCCCCN=C=S TS10905 [0,0,0,0,0,0|1,1,2]=4 55 B9R0.45 CCCCCCCNCC TS06892 [0,0,0,0,0,0|2,0,1]=3 56 B9R0.45 CCCCCCCSC#N TS10903 [0,0,0,0,0,0|2,0,2]=4 57 B9R0.45 CCCCCCNCCN TS07030 [0,0,0,0,0,0|2,0,1]=3 58 B9R0.45 CCCCCCNCCO TS40337 [0,0,0,0,0,0|1,0,1]=2 59 B9R0.45 CCCCCCOCC=C TS06762 [0,0,0,0,0,0|2,0,2]=4 60 B9R0.45 CCCCCCOCCO TS07250 [0,0,0,0,0,0|1,0,1]=2 61 B9R0.45 CCCCCCSCCCl TS14704 [0,0,0,0,0,0|2,0,1]=3 62 B9R0.45 CCCCCCSCCO TS42515 [0,0,0,0,0,0|1,0,1]=2 63 B9R0.45 CCCCCNCCCC TS06893 [0,0,0,0,0,0|2,0,2]=4 64 B9R0.45 CCCCNCCCCO TS40341 [0,0,0,0,0,0|1,0,2]=3 65 B9R0.45 CCOCCCCOCC TS07247 [0,0,0,0,0,0|3,0,1]=4 66 B9R0.45 CCSCCCCSCC TS14292 [0,0,0,0,0,0|3,0,1]=4 67 B9R0.45 [CH2]CCCCCN=CC#N TS37226 [0,0,0,0,0,0|2,0,2]=4 68 B8R0.4 C#CCCCCCCO TS05177 [1,0,0,0,0,0|0,0,3]=4 69 B8R0.4 C(CCCBr)CCCBr TS68070 [1,0,0,0,0,0|2,0,1]=4 70 B8R0.4 C(CCCCl)CCCCl TS44969 [1,0,0,0,0,0|2,0,1]=4 71 B8R0.4 C(CCCN)CCCN TS05605 [1,0,0,0,0,0|2,0,1]=4 72 B8R0.4 C(CCCN)CCCO TS36619 [1,0,0,0,0,0|1,0,1]=3 73 B8R0.4 C(CCCO)CCCBr TS55654 [1,0,0,0,0,0|1,0,1]=3 74 B8R0.4 C(CCCO)CCCO TS36690 [1,0,0,0,0,0|1,0,1]=3 75 B8R0.4 C(CCNCCO)CN TS36704 [1,0,0,0,0,0|2,0,1]=4 76 B8R0.4 C(CNCCCO)CO TS02184 [1,0,0,0,0,0|2,0,1]=4 77 B8R0.4 C(CO)CSCCCO TS09957 [1,0,0,0,0,0|2,0,1]=4 78 B8R0.4 C=CCCCC=CCO TS05204 [1,0,0,0,0,0|0,0,2]=3 79 B8R0.4 C=CCCCCCCBr TS01315 [1,0,0,0,0,0|1,0,2]=4 80 B8R0.4 C=CCCCCCCO TS05382 [1,0,0,0,0,0|0,0,3]=4 81 B8R0.4 CC=CCCCC=CC TS05044 [1,0,0,0,0,0|0,0,2]=3 82 B8R0.4 CCC=CCCCCO TS36323 [1,0,0,0,0,0|2,0,0]=3 83 B8R0.4 CCCC=CC=CCO TS36154 [1,0,0,0,0,0|0,0,2]=3 84 B8R0.4 CCCCC#CCCO TS36147 [1,0,0,0,0,0|0,0,3]=4 85 B8R0.4 CCCCC=CC=CC TS05047 [1,0,0,0,0,0|0,0,2]=3 86 B8R0.4 CCCCC=CCCC TS05206 [1,0,0,0,0,0|1,0,2]=4 87 B8R0.4 CCCCC=CCCO TS36327 [1,0,0,0,0,0|0,0,2]=3 88 B8R0.4 CCCCC=COCC TS05398 [1,0,0,0,0,0|2,0,1]=4 89 B8R0.4 CCCCCC#CC=C TS32531 [1,0,0,0,0,0|0,0,3]=4 90 B8R0.4 CCCCCC#CCBr TS50858 [1,0,0,0,0,0|1,0,2]=4 91 B8R0.4 CCCCCC#CCC TS05059 [1,0,0,0,0,0|0,0,3]=4 92 B8R0.4 CCCCCC#CCCl TS07054 [1,0,0,0,0,0|1,0,2]=4 93 B8R0.4 CCCCCC#CCO TS05190 [1,0,0,0,0,0|0,0,2]=3 94 B8R0.4 CCCCCC=CC=O TS36157 [1,0,0,0,0,0|0,0,2]=3 95 B8R0.4 CCCCCC=CCC TS36181 [1,0,0,0,0,0|1,0,0]=2 96 B8R0.4 CCCCCC=CCO TS05393 [1,0,0,0,0,0|0,0,0]=1 97 B8R0.4 CCCCCCC#CC TS05062 [1,0,0,0,0,0|0,0,2]=3 98 B8R0.4 CCCCCCC=CC TS05227 [1,0,0,0,0,0|0,0,0]=1 99 B8R0.4 CCCCCCC=NO TS36429 [1,0,0,0,0,0|1,0,0]=2 100 B8R0.4 CCCCCCCC#C TS05045 [1,0,0,0,0,0|0,0,3]=4 101 B8R0.4 CCCCCCCC#N TS05112 [1,0,0,0,0,0|1,0,2]=4 102 B8R0.4 CCCCCCCC=C TS05208 [1,0,0,0,0,0|0,0,2]=3 103 B8R0.4 CCCCCCCC=O TS05399 [1,0,0,0,0,0|0,0,2]=3 104 B8R0.4 CCCCCCCCBr TS00038 [1,0,0,0,0,0|1,0,1]=3 105 B8R0.4 CCCCCCCCC TS05427 [1,0,0,0,0,0|0,0,2]=3 106 B8R0.4 CCCCCCCCCl TS07517 [1,0,0,0,0,0|1,0,1]=3 107 B8R0.4 CCCCCCCCF TS05771 [1,0,0,0,0,0|1,0,1]=3 108 B8R0.4 CCCCCCCCN TS05489 [1,0,0,0,0,0|1,0,1]=3 109 B8R0.4 CCCCCCCCN TS12120 [1,0,0,0,0,0|1,0,1]=3 110 B8R0.4 CCCCCCCCN TS20855 [1,0,0,0,0,0|1,0,1]=3 111 B8R0.4 CCCCCCCCO TS36550 [1,0,0,0,0,0|0,0,1]=2 112 B8R0.4 CCCCCCCCS TS40481 [1,0,0,0,0,0|0,1,1]=3 113 B8R0.4 CCCCCCCC[Si] TS07042 [1,0,0,0,0,0|1,0,1]=3 114 B8R0.4 CCCCCCCNC TS05499 [1,0,0,0,0,0|1,0,1]=3 115 B8R0.4 CCCCCCN=C=O TS36237 [1,0,0,0,0,0|1,0,2]=4 116 B8R0.4 CCCCCCN=C=S TS06881 [1,0,0,0,0,0|1,1,1]=4 117 B8R0.4 CCCCCCNCC TS05500 [1,0,0,0,0,0|1,0,1]=3 118 B8R0.4 CCCCCCOC=O TS36508 [1,0,0,0,0,0|1,0,1]=3 119 B8R0.4 CCCCCCSCC TS40479 [1,0,0,0,0,0|1,0,1]=3 120 B8R0.4 CCCCCNCCO TS36622 [1,0,0,0,0,0|1,0,1]=3 121 B8R0.4 CCCCCOCC=C TS05379 [1,0,0,0,0,0|1,0,2]=4 122 B8R0.4 CCCCCOCCO TS36691 [1,0,0,0,0,0|1,0,1]=3 123 B8R0.4 CCCCNCCCC TS55846 [1,0,0,0,0,0|1,0,2]=4 124 B8R0.4 CCCCOCCCC TS05599 [1,0,0,0,0,0|1,0,2]=4 125 B8R0.4 CCCCOCCCN TS36614 [1,0,0,0,0,0|2,0,1]=4 126 B8R0.4 CCCCPCCCC TS40455 [1,0,0,0,0,0|1,0,2]=4 127 B8R0.4 CCCCSCCCC TS40480 [1,0,0,0,0,0|1,0,2]=4 128 B8R0.4 CCCC[GeH2]CCCC TS16104 [1,0,0,0,0,0|0,1,2]=4 129 B8R0.4 CCCC[Hg]CCCC TS76737 [1,0,0,0,0,0|1,0,2]=4 130 B8R0.4 CCCC[NH2+]CCCC TS49201 [1,0,0,0,0,0|1,0,2]=4 131 B8R0.4 CCCC[Sn+2]CCCC TS64754 [1,0,0,0,0,0|1,0,2]=4 132 B8R0.4 CCCC[Sn+2]CCCC TS78833 [1,0,0,0,0,0|1,0,2]=4 133 B8R0.4 CCCC[Sn+2]CCCC TS79757 [1,0,0,0,0,0|1,0,2]=4 134 B8R0.4 CCCC[Te]CCCC TS57621 [1,0,0,0,0,0|1,0,2]=4 135 B8R0.4 CCCC[Zn]CCCC TS14479 [1,0,0,0,0,0|1,0,2]=4 136 B8R0.4 CCNCCCNCC TS05606 [1,0,0,0,0,0|2,0,1]=4 137 B8R0.4 CCOCCOCCO TS05898 [1,0,0,0,0,0|2,0,1]=4 138 B8R0.4 CNCCCCCCO TS36615 [1,0,0,0,0,0|1,0,1]=3 139 B8R0.4 COCCCCCOC TS36689 [1,0,0,0,0,0|2,0,1]=4 140 B8R0.4 [B+](CCCC)CCCC TS33566 [1,0,0,0,0,0|1,0,2]=4 141 B10R0.1 CCCCCCC(=O)CCC TS10748 [0,1,0,0,0,0|1,0,1]=3 142 B10R0.1 CCCCCCC(=O)OCC TS11034 [0,1,0,0,0,0|2,0,0]=3 143 B10R0.1 CCCCCCC(CCC)O TS11068 [0,1,0,0,0,0|1,0,2]=4 144 B10R0.1 CCCCCCC(CCO)O TS19444 [0,1,0,0,0,0|0,0,2]=3 145 B10R0.1 CCCCCCC(CCO)O TS42204 [0,1,0,0,0,0|0,0,2]=3 146 B10R0.1 CCCCCOC(=O)CCC TS41940 [0,1,0,0,0,0|2,0,1]=4 147 B10R0.1 CCOC(=O)CCCCCBr TS50270 [0,1,0,0,0,0|3,0,0]=4 148 B10R0.1 CCOC(=O)CCCCCN TS53584 [0,1,0,0,0,0|3,0,0]=4 149 B10R0.1 CCOC(=O)CCCCCO TS11263 [0,1,0,0,0,0|3,0,0]=4 150 B10R0.1 CCOC(=O)CCCCC[Zn+] TS57978 [0,1,0,0,0,0|3,0,0]=4 151 B10R0.4 B(C=CCCCCCC)(O)O TS41569 [0,1,0,0,0,0|1,0,0]=2 152 B10R0.4 B(CCCCCCCC)(O)O TS41838 [0,1,0,0,0,0|1,0,2]=4 153 B10R0.4 CC(C)CCCCCCCO TS41982 [0,1,0,0,0,0|0,0,2]=3 154 B10R0.4 CC(C)COCCOCCO TS11579 [0,1,0,0,0,0|2,0,1]=4 155 B10R0.4 CCCCCC=CCC(=O)O TS41642 [0,1,0,0,0,0|0,0,3]=4 156 B10R0.4 CCCCCCC#CC(=O)O TS41396 [0,1,0,0,0,0|0,0,3]=4 157 B10R0.4 CCCCCCC=CC(=O)C TS10484 [0,1,0,0,0,0|0,0,2]=3 158 B10R0.4 CCCCCCC=CC(=O)O TS41637 [0,1,0,0,0,0|0,0,1]=2 159 B10R0.4 CCCCCCCCC(=O)O TS11031 [0,1,0,0,0,0|0,0,3]=4 160 B10R0.4 CCCCCCCCC(C)Br TS49920 [0,1,0,0,0,0|1,0,2]=4 161 B10R0.4 CCCCCCCCC(C)C TS10780 [0,1,0,0,0,0|1,0,2]=4 162 B10R0.4 CCCCCCCCC(C)O TS41974 [0,1,0,0,0,0|0,0,2]=3 163 B10R0.4 CCCCCCCC[C@H](C)O TS41983 [0,1,0,0,0,0|0,0,2]=3 164 B10R0.71 C#CCCCCCCCCO TS10479 [0,1,0,0,0,0|0,0,3]=4 165 B10R0.71 C(CCCCI)CCCCI TS67166 [0,1,0,0,0,0|1,0,2]=4 166 B10R0.71 C(CCCCN)CCCCN TS41990 [0,1,0,0,0,0|1,0,2]=4 167 B10R0.71 C(CCCCO)CCCCBr TS50279 [0,1,0,0,0,0|0,0,2]=3 168 B10R0.71 C(CCCCO)CCCCCl TS14310 [0,1,0,0,0,0|0,0,2]=3 169 B10R0.71 C(CCCCO)CCCCO TS42203 [0,1,0,0,0,0|0,0,2]=3 170 B10R0.71 C(CCCCS)CCCCS TS17566 [0,1,0,0,0,0|0,1,2]=4 171 B10R0.71 C(CCCCl)CCN=CCCl TS18563 [0,1,0,0,0,0|2,0,0]=3 172 B10R0.71 C(CNCCO)CNCCO TS11587 [0,1,0,0,0,0|2,0,1]=4 173 B10R0.71 C(CSCCO)CSCCO TS53738 [0,1,0,0,0,0|2,0,1]=4 174 B10R0.71 C=CCCCCCCCCO TS41685 [0,1,0,0,0,0|0,0,3]=4 175 B10R0.71 CCC#CCCCCCCCl TS13284 [0,1,0,0,0,0|1,0,2]=4 176 B10R0.71 CCC=CCCCCCC=O TS10492 [0,1,0,0,0,0|1,0,1]=3 177 B10R0.71 CCC=CCCCCCCO TS10743 [0,1,0,0,0,0|1,0,0]=2 178 B10R0.71 CCCCC=CCCCCO TS10746 [0,1,0,0,0,0|0,0,3]=4 179 B10R0.71 CCCCC=CCCCCO TS10765 [0,1,0,0,0,0|0,0,3]=4 180 B10R0.71 CCCCCC=CC=CC=C TS40931 [0,1,0,0,0,0|1,0,2]=4 181 B10R0.71 CCCCCC=CC=CC=O TS41184 [0,1,0,0,0,0|0,0,3]=4 182 B10R0.71 CCCCCC=CC=CCO TS41441 [0,1,0,0,0,0|0,0,1]=2 183 B10R0.71 CCCCCC=CCCC=O TS10501 [0,1,0,0,0,0|0,0,3]=4 184 B10R0.71 CCCCCC=CCCC=O TS41430 [0,1,0,0,0,0|0,0,3]=4 185 B10R0.71 CCCCCC=CCCCO TS10760 [0,1,0,0,0,0|0,0,2]=3 186 B10R0.71 CCCCCCC#CCCC TS10234 [0,1,0,0,0,0|1,0,2]=4 187 B10R0.71 CCCCCCC#CCCO TS41425 [0,1,0,0,0,0|0,0,2]=3 188 B10R0.71 CCCCCCCC#CCC TS41206 [0,1,0,0,0,0|1,0,2]=4 189 B10R0.71 CCCCCCCC#CCO TS10482 [0,1,0,0,0,0|0,0,2]=3 190 B10R0.71 CCCCCCCC=CC=O TS41440 [0,1,0,0,0,0|0,0,2]=3 191 B10R0.71 CCCCCCCC=CCO TS41687 [0,1,0,0,0,0|0,0,0]=1 192 B10R0.71 CCCCCCCCCC#C TS41204 [0,1,0,0,0,0|1,0,2]=4 193 B10R0.71 CCCCCCCCCC#N TS10352 [0,1,0,0,0,0|1,0,2]=4 194 B10R0.71 CCCCCCCCCC=C TS10512 [0,1,0,0,0,0|1,0,2]=4 195 B10R0.71 CCCCCCCCCC=O TS09040 [0,1,0,0,0,0|0,0,3]=4 196 B10R0.71 CCCCCCCCCCBr TS00033 [0,1,0,0,0,0|1,0,2]=4 197 B10R0.71 CCCCCCCCCCC TS10779 [0,1,0,0,0,0|1,0,2]=4 198 B10R0.71 CCCCCCCCCCCl TS92952 [0,1,0,0,0,0|1,0,2]=4 199 B10R0.71 CCCCCCCCCCF TS42224 [0,1,0,0,0,0|1,0,2]=4 200 B10R0.71 CCCCCCCCCCI TS93518 [0,1,0,0,0,0|1,0,2]=4 201 B10R0.71 CCCCCCCCCCN TS41819 [0,1,0,0,0,0|1,0,2]=4 202 B10R0.71 CCCCCCCCCCO TS41975 [0,1,0,0,0,0|0,0,2]=3 203 B10R0.71 CCCCCCCCCCS TS13579 [0,1,0,0,0,0|0,1,2]=4 204 B10R0.71 CCCCCCCCCOC TS11057 [0,1,0,0,0,0|0,0,2]=3 205 B10R0.71 CCCCCCCCCSC TS13577 [0,1,0,0,0,0|0,1,2]=4 206 B10R0.71 CCCCCCCCNCC TS41820 [0,1,0,0,0,0|1,0,2]=4 207 B10R0.71 CCCCCCCCOCCl TS14311 [0,1,0,0,0,0|1,0,2]=4 208 B10R0.71 CCCCCCCCSCC TS13580 [0,1,0,0,0,0|1,0,2]=4 209 B10R0.71 CCCCCCCOCCO TS11305 [0,1,0,0,0,0|0,0,2]=3 210 B10R0.71 CCCCCCNCCC#N TS41450 [0,1,0,0,0,0|2,0,1]=4 211 B10R0.71 CCCCCNCCCCC TS41815 [0,1,0,0,0,0|1,0,2]=4 212 B10R0.71 CCCCCSCCCCC TS13578 [0,1,0,0,0,0|1,0,2]=4 213 B10R0.71 CCCCOCCOCCO TS11577 [0,1,0,0,0,0|1,0,1]=3 214 B10R0.71 COCCOCCOCCO TS01743 [0,1,0,0,0,0|2,0,1]=4 215 B10R0.74 CCC(C)CCCCCCBr TS49921 [0,1,0,0,0,0|1,0,2]=4 216 B10R0.74 CCC=CCCOC(=O)CC TS41648 [0,1,0,0,0,0|2,0,1]=4 217 B10R0.74 CCCCCC=CC(=O)OC TS10720 [0,1,0,0,0,0|2,0,1]=4 218 B10R0.74 CCCCCCCC(=O)CC TS41682 [0,1,0,0,0,0|1,0,1]=3 219 B10R0.74 CCCCCCCC(=O)NN TS41952 [0,1,0,0,0,0|2,0,1]=4 220 B10R0.74 CCCCCCCC(=O)N[O-] TS14789 [0,1,0,0,0,0|1,0,2]=4 221 B10R0.74 CCCCCCCC(=O)OC TS01755 [0,1,0,0,0,0|2,0,1]=4 222 B10R0.74 CCCCCCCC(CC)O TS11069 [0,1,0,0,0,0|1,0,2]=4 223 B10R0.74 CCCCCCCC(CCl)Cl TS18419 [0,1,0,0,0,0|1,0,2]=4 224 B10R0.74 CCCCCCCC(CO)O TS11306 [0,1,0,0,0,0|0,0,2]=3 225 B10R0.74 CCCCCCNC(=S)NN TS46017 [0,1,0,0,0,0|3,0,0]=4 226 B10R0.74 CCCCCCOC(=O)C=C TS41638 [0,1,0,0,0,0|2,0,1]=4 227 B10R0.74 CCCCCCOC(=O)CC TS41939 [0,1,0,0,0,0|2,0,0]=3 228 B10R0.74 CCCCCCOC(=O)CN TS18152 [0,1,0,0,0,0|2,0,0]=3 229 B10R0.91 CCCCCC(C=CC=O)O TS41640 [0,1,0,0,0,0|0,0,2]=3 230 B10R0.91 CCCCCC(CCCC)O TS11059 [0,1,0,0,0,0|1,0,2]=4 231 B10R1.4 CCCC1CCCCC1C TS06518 [0,0,0,1,0,0|1,0,2]=4 232 B10R1.4 CCCC1CCCCC1O TS06765 [0,0,0,1,0,0|0,0,2]=3 233 B10R1.4 CCC[C@@H]1CCCC[C@H]1C TS06535 [0,0,0,1,0,0|1,0,2]=4 234 B10R1.4 CCC[C@H]1CCCC[C@H]1C TS06531 [0,0,0,1,0,0|1,0,2]=4 235 B10R1.7 C1CCC[C@@H]([C@@H](CC1)O)O TS06988 [0,0,0,1,0,0|1,0,2]=4 236 B10R1.7 C1CCC[C@@H]([C@H](CC1)O)O TS40198 [0,0,0,1,0,0|1,0,2]=4 237 B10R1.7 C1CCC[C@H]([C@@H](CC1)O)O TS40209 [0,0,0,1,0,0|1,0,2]=4 238 B10R1.17 C1CCC(CC1)CCCN TS37521 [0,0,0,1,0,0|1,0,2]=4 239 B10R1.17 C1CCC(CC1)NCCO TS40111 [0,0,0,1,0,0|1,0,1]=3 240 B10R1.17 C1CCC(CC1)SCCCl TS14314 [0,0,0,1,0,0|2,0,1]=4 241 B10R1.17 C1CCN(CC1)CCCO TS40100 [0,0,0,1,0,0|1,0,2]=4 242 B10R1.17 C1CNCCC1CCCO TS39294 [0,0,0,1,0,0|1,0,2]=4 243 B10R1.17 CCC#CC1CCCCC1 TS06115 [0,0,0,1,0,0|1,0,2]=4 244 B10R1.17 CCCCC1CCNCC1 TS14119 [0,0,0,1,0,0|2,0,1]=4 245 B10R1.17 CCCCC1CCNCC1 TS37517 [0,0,0,1,0,0|2,0,1]=4 246 B10R1.17 CCNCC1CNCCO1 TS06997 [0,0,0,1,0,0|2,0,1]=4 247 B10R1.20 C1CC[C@@H]([C@H](C1)CO)CO TS93683 [0,0,0,1,0,0|1,0,2]=4 248 B10R1.20 C1CC[C@H]([C@@H](C1)CO)CO TS93987 [0,0,0,1,0,0|1,0,2]=4 249 B10R1.20 C1CC[C@H]([C@H](C1)CO)CO TS06980 [0,0,0,1,0,0|1,0,2]=4 250 B10R1.21 C1COC(O1)CCCCCl TS11960 [0,0,0,1,0,0|2,0,1]=4 251 B10R1.21 CCCCCC1CCCC1 TS37439 [0,0,0,1,0,0|1,0,2]=4 252 B10R1.21 CCCCCC1CCCC1 TS82003 [0,0,0,1,0,0|1,0,2]=4 253 B10R1.21 CCCCCc1cccs1 TS10504 [0,0,0,1,0,0|0,1,2]=4 254 B10R1.21 CCCCCc1ccsc1 TS41456 [0,0,0,1,0,0|2,0,1]=4 255 B10R1.21 CCCCCn1ccnc1 TS37231 [0,0,0,1,0,0|3,0,0]=4 256 B10R1.21 CCCCOC1CCCO1 TS06978 [0,0,0,1,0,0|1,0,2]=4 257 B10R1.85 C1CCCC(CC1)CCN TS06625 [0,0,0,1,0,0|1,0,2]=4 258 B10R1.85 C1CCCN(CC1)CCCl TS42366 [0,0,0,1,0,0|2,0,1]=4 259 B10R1.85 C1CCCN(CC1)CCN TS37666 [0,0,0,1,0,0|2,0,1]=4 260 B10R1.85 C1CCCN(CC1)CCO TS40104 [0,0,0,1,0,0|1,0,1]=3 261 B10R1.85 C1CNCCN(C1)CCO TS39233 [0,0,0,1,0,0|2,0,1]=4 262 B10R1.161 C1CCCC(=NO)CCC1 TS06606 [0,0,0,1,0,0|1,0,1]=3 263 B10R1.161 C1CCCC(CCC1)CI TS63089 [0,0,0,1,0,0|1,0,2]=4 264 B10R1.161 C1CCCC(CCC1)CN TS37522 [0,0,0,1,0,0|1,0,2]=4 265 B10R1.161 COC1=CCCCCCC1 TS06514 [0,0,0,1,0,0|2,0,0]=3 266 B10R1.177 CCCCCOC[C@H]1CO1 TS06975 [0,0,0,1,0,0|1,0,2]=4 267 B10R1.185 C1CCCCC=CCCC1 TS06318 [0,0,0,1,0,0|1,0,0]=2 268 B10R1.185 C1CCCCCCCCC1 TS06536 [0,0,0,1,0,0|1,0,2]=4 269 B7R0.1 C#CCCCCCO TS01237 [2,0,0,0,0,0|0,0,2]=4 270 B7R0.1 C(CCCBr)CCBr TS07890 [2,0,0,0,0,0|2,0,0]=4 271 B7R0.1 C(CCCBr)CCCl TS00416 [2,0,0,0,0,0|2,0,0]=4 272 B7R0.1 C(CCCBr)CCO TS59727 [2,0,0,0,0,0|1,0,0]=3 273 B7R0.1 C(CCCCl)CCCl TS10546 [2,0,0,0,0,0|2,0,0]=4 274 B7R0.1 C(CCCCl)CCO TS06143 [2,0,0,0,0,0|1,0,0]=3 275 B7R0.1 C(CCCI)CCCl TS27509 [2,0,0,0,0,0|2,0,0]=4 276 B7R0.1 C(CCCN)CCN TS04632 [2,0,0,0,0,0|2,0,0]=4 277 B7R0.1 C(CCCN)CCN TS41228 [2,0,0,0,0,0|2,0,0]=4 278 B7R0.1 C(CCCN)CCN TS41960 [2,0,0,0,0,0|2,0,0]=4 279 B7R0.1 C(CCCN)CCN TS42181 [2,0,0,0,0,0|2,0,0]=4 280 B7R0.1 C(CCCO)CCN TS39356 [2,0,0,0,0,0|1,0,0]=3 281 B7R0.1 C(CCCO)CCO TS46825 [2,0,0,0,0,0|1,0,0]=3 282 B7R0.1 C(CCCS)CCO TS36872 [2,0,0,0,0,0|1,0,0]=3 283 B7R0.1 C(CCCS)CCS TS40940 [2,0,0,0,0,0|1,1,0]=4 284 B7R0.1 C(CCC[Zn+])CCCl TS68903 [2,0,0,0,0,0|2,0,0]=4 285 B7R0.1 C(CCO)CC=NO TS04658 [2,0,0,0,0,0|2,0,0]=4 286 B7R0.1 C(CN)CNCCO TS56334 [2,0,0,0,0,0|2,0,0]=4 287 B7R0.1 C(CNCCN)CO TS32350 [2,0,0,0,0,0|2,0,0]=4 288 B7R0.1 C(CNCCO)CO TS04790 [2,0,0,0,0,0|2,0,0]=4 289 B7R0.1 C=CCCCCC#N TS31810 [2,0,0,0,0,0|1,0,1]=4 290 B7R0.1 C=CCCCCC=C TS04214 [2,0,0,0,0,0|0,0,2]=4 291 B7R0.1 C=CCCCCCBr TS59625 [2,0,0,0,0,0|1,0,0]=3 292 B7R0.1 C=CCCCCCCl TS36738 [2,0,0,0,0,0|1,0,0]=3 293 B7R0.1 C=CCCCCCO TS04461 [2,0,0,0,0,0|1,0,0]=3 294 B7R0.1 C=CCOCCCO TS04587 [2,0,0,0,0,0|2,0,0]=4 295 B7R0.1 C=COCCCCO TS32203 [2,0,0,0,0,0|2,0,0]=4 296 B7R0.1 CC=CCCC=CC TS31853 [2,0,0,0,0,0|0,0,2]=4 297 B7R0.1 CCC=CC=CCO TS31934 [2,0,0,0,0,0|0,0,2]=4 298 B7R0.1 CCC=CCCCO TS04463 [2,0,0,0,0,0|0,0,2]=4 299 B7R0.1 CCCC#CCC=C TS04139 [2,0,0,0,0,0|0,0,2]=4 300 B7R0.1 CCCC#CCCO TS31945 [2,0,0,0,0,0|0,0,2]=4 301 B7R0.1 CCCC=CC=CC TS31845 [2,0,0,0,0,0|0,0,2]=4 302 B7R0.1 CCCC=CCC=C TS31855 [2,0,0,0,0,0|0,0,2]=4 303 B7R0.1 CCCC=CCCO TS04459 [2,0,0,0,0,0|0,0,2]=4 304 B7R0.1 CCCCC#CC=C TS31785 [2,0,0,0,0,0|0,0,2]=4 305 B7R0.1 CCCCC#CCO TS31930 [2,0,0,0,0,0|0,0,2]=4 306 B7R0.1 CCCCC=CC=C TS31850 [2,0,0,0,0,0|0,0,2]=4 307 B7R0.1 CCCCC=CC=O TS04311 [2,0,0,0,0,0|0,0,2]=4 308 B7R0.1 CCCCC=CCC TS04348 [2,0,0,0,0,0|1,0,0]=3 309 B7R0.1 CCCCC=CCC TS31974 [2,0,0,0,0,0|1,0,0]=3 310 B7R0.1 CCCCC=CCO TS32112 [2,0,0,0,0,0|0,0,0]=2 311 B7R0.1 CCCCCC#CC TS31856 [2,0,0,0,0,0|0,0,2]=4 312 B7R0.1 CCCCCC=CC TS31964 [2,0,0,0,0,0|0,0,0]=2 313 B7R0.1 CCCCCCC#C TS31852 [2,0,0,0,0,0|0,0,2]=4 314 B7R0.1 CCCCCCC#N TS31893 [2,0,0,0,0,0|1,0,1]=4 315 B7R0.1 CCCCCCC=O TS32096 [2,0,0,0,0,0|0,0,1]=3 316 B7R0.1 CCCCCCCBr TS00035 [2,0,0,0,0,0|1,0,0]=3 317 B7R0.1 CCCCCCCCl TS36887 [2,0,0,0,0,0|1,0,0]=3 318 B7R0.1 CCCCCCCF TS32353 [2,0,0,0,0,0|1,0,0]=3 319 B7R0.1 CCCCCCCI TS52275 [2,0,0,0,0,0|1,0,0]=3 320 B7R0.1 CCCCCCCN TS04552 [2,0,0,0,0,0|1,0,0]=3 321 B7R0.1 CCCCCCCO TS32232 [2,0,0,0,0,0|0,0,0]=2 322 B7R0.1 CCCCCCCS TS05788 [2,0,0,0,0,0|0,1,0]=3 323 B7R0.1 CCCCCCNC TS04559 [2,0,0,0,0,0|1,0,0]=3 324 B7R0.1 CCCCCCOC TS32254 [2,0,0,0,0,0|1,0,0]=3 325 B7R0.1 CCCCCCSC TS05792 [2,0,0,0,0,0|1,0,0]=3 326 B7R0.1 CCCCCNCC TS04550 [2,0,0,0,0,0|1,0,1]=4 327 B7R0.1 CCCCCOCC TS32236 [2,0,0,0,0,0|1,0,1]=4 328 B7R0.1 CCCCCSCC TS36717 [2,0,0,0,0,0|1,0,1]=4 329 B7R0.1 CCCCNCCC TS04557 [2,0,0,0,0,0|1,0,1]=4 330 B7R0.1 CCCCNCCN TS04633 [2,0,0,0,0,0|2,0,0]=4 331 B7R0.1 CCCCNCCO TS32289 [2,0,0,0,0,0|1,0,0]=3 332 B7R0.1 CCCCNCCS TS36787 [2,0,0,0,0,0|1,1,0]=4 333 B7R0.1 CCCCOCC=C TS32094 [2,0,0,0,0,0|1,0,0]=3 334 B7R0.1 CCCCOCCBr TS48031 [2,0,0,0,0,0|2,0,0]=4 335 B7R0.1 CCCCOCCCl TS06142 [2,0,0,0,0,0|2,0,0]=4 336 B7R0.1 CCCCOCCO TS04738 [2,0,0,0,0,0|1,0,0]=3 337 B7R0.1 CCCCSCCC TS05790 [2,0,0,0,0,0|1,0,1]=4 338 B7R0.1 CCCCSCCO TS36874 [2,0,0,0,0,0|1,0,0]=3 339 B7R0.1 CCCNCCCN TS32259 [2,0,0,0,0,0|2,0,0]=4 340 B7R0.1 CCCOCCCN TS32295 [2,0,0,0,0,0|2,0,0]=4 341 B7R0.1 CCCSSCC=C TS40693 [2,0,0,0,0,0|2,0,0]=4 342 B7R0.1 CCNCCCCN TS36623 [2,0,0,0,0,0|2,0,0]=4 343 B7R0.1 CCNCCCCO TS32294 [2,0,0,0,0,0|1,0,0]=3 344 B7R0.1 CCOCCCCCl TS06141 [2,0,0,0,0,0|2,0,0]=4 345 B7R0.1 CNCCCCC=C TS93899 [2,0,0,0,0,0|1,0,0]=3 346 B7R0.1 CNCCCCNC TS04634 [2,0,0,0,0,0|2,0,0]=4 347 B7R0.1 CSCCCCSC TS40938 [2,0,0,0,0,0|2,0,0]=4 348 B9R0.2 B(C=CCCCCC)(O)O TS06634 [1,1,0,0,0,0|1,0,0]=3 349 B9R0.2 C(CCCBr)CCC(=O)O TS16501 [1,1,0,0,0,0|1,0,1]=4 350 B9R0.2 C(CCCCl)CCC(=O)O TS11959 [1,1,0,0,0,0|1,0,1]=4 351 B9R0.2 C(CCCN)CCC(=O)O TS48161 [1,1,0,0,0,0|1,0,1]=4 352 B9R0.2 C(CCCN)CCC(=O)O TS59742 [1,1,0,0,0,0|1,0,1]=4 353 B9R0.2 C(CCCO)CCC(=O)O TS55677 [1,1,0,0,0,0|1,0,1]=4 354 B9R0.2 CC(=O)OCCCCCBr TS20687 [1,1,0,0,0,0|2,0,0]=4 355 B9R0.2 CC(=O)OCCCCCCl TS11956 [1,1,0,0,0,0|2,0,0]=4 356 B9R0.2 CC(C)CCCCCCBr TS39155 [1,1,0,0,0,0|1,0,1]=4 357 B9R0.2 CC(C)CCCCCCN TS06894 [1,1,0,0,0,0|1,0,1]=4 358 B9R0.2 CCCCCC#CC(=O)O TS37382 [1,1,0,0,0,0|0,0,2]=4 359 B9R0.2 CCCCCC=CC(=O)O TS06694 [1,1,0,0,0,0|0,0,1]=3 360 B9R0.2 CCCCCCCC(=C)C TS06520 [1,1,0,0,0,0|0,0,1]=3 361 B9R0.2 CCCCCCCC(=O)C TS06758 [1,1,0,0,0,0|0,0,1]=3 362 B9R0.2 CCCCCCCC(=O)Cl TS11637 [1,1,0,0,0,0|0,0,2]=4 363 B9R0.2 CCCCCCCC(=O)N TS40110 [1,1,0,0,0,0|0,0,2]=4 364 B9R0.2 CCCCCCCC(=O)O TS40219 [1,1,0,0,0,0|0,0,1]=3 365 B9R0.2 CCCCCCCC(=O)[O-] TS43087 [1,1,0,0,0,0|0,0,2]=4 366 B9R0.2 CCCCCCCC(=O)[O-] TS48323 [1,1,0,0,0,0|0,0,2]=4 367 B9R0.2 CCCCCCCC(=O)[O-] TS64558 [1,1,0,0,0,0|0,0,2]=4 368 B9R0.2 CCCCCCCC(C)Br TS39158 [1,1,0,0,0,0|0,0,2]=4 369 B9R0.2 CCCCCCCC(C)C TS37672 [1,1,0,0,0,0|0,0,2]=4 370 B9R0.2 CCCCCCC[C@@H](C)N TS06891 [1,1,0,0,0,0|0,0,2]=4 371 B9R0.2 CCCCCCC[C@H](C)N TS06890 [1,1,0,0,0,0|0,0,2]=4 372 B9R0.2 CCCCCCNC(=S)N TS11310 [1,1,0,0,0,0|1,1,0]=4 373 B9R0.2 CCCCCCOC(=O)C TS40201 [1,1,0,0,0,0|1,0,0]=3 374 B9R0.2 CCCCCCOC(=O)Cl TS11953 [1,1,0,0,0,0|1,0,1]=4 375 B9R0.2 CCCCCCOC(=S)[S-] TS49163 [1,1,0,0,0,0|1,1,0]=4 376 B9R0.2 CCCCNCCC(=O)O TS40320 [1,1,0,0,0,0|1,0,1]=4 377 B9R0.2 CN(C)CCCCCCO TS40334 [1,1,0,0,0,0|1,0,1]=4 378 B9R0.5 CCCCCC(=O)CCC TS06764 [1,1,0,0,0,0|1,0,1]=4 379 B9R0.5 CCCCCC(=O)OCC TS06974 [1,1,0,0,0,0|2,0,0]=4 380 B9R0.5 CCCCCC(C)CCC TS37671 [1,1,0,0,0,0|0,0,2]=4 381 B9R0.5 CCCCCC(CC=C)O TS06739 [1,1,0,0,0,0|0,0,2]=4 382 B9R0.5 CCCCCC(CCC)O TS40239 [1,1,0,0,0,0|0,0,2]=4 383 B9R0.18 CCCCC(C)CCCC TS06794 [1,1,0,0,0,0|0,0,2]=4 384 B9R0.18 CCCCC(CCCC)N TS06896 [1,1,0,0,0,0|0,0,2]=4 385 B9R0.18 CCCCC(CCCC)O TS40240 [1,1,0,0,0,0|0,0,2]=4 386 B9R0.46 C(CCC(CO)O)CCO TS40640 [1,1,0,0,0,0|1,0,1]=4 387 B9R0.46 CCCCCCC(=O)CC TS06757 [1,1,0,0,0,0|0,0,1]=3 388 B9R0.46 CCCCCCC(=O)OC TS06976 [1,1,0,0,0,0|1,0,0]=3 389 B9R0.46 CCCCCCC(C)C=O TS02438 [1,1,0,0,0,0|0,0,2]=4 390 B9R0.46 CCCCCCC(C)CBr TS39157 [1,1,0,0,0,0|1,0,1]=4 391 B9R0.46 CCCCCCC(C)CC TS37670 [1,1,0,0,0,0|0,0,2]=4 392 B9R0.46 CCCCCCC(C=C)O TS06738 [1,1,0,0,0,0|0,0,2]=4 393 B9R0.46 CCCCCCC(CC)O TS40234 [1,1,0,0,0,0|0,0,2]=4 394 B9R0.46 CCCCCCC(CCl)Cl TS48396 [1,1,0,0,0,0|1,0,1]=4 395 B9R0.46 CCCCCCC(CO)O TS07249 [1,1,0,0,0,0|0,0,1]=3 396 B9R0.46 CCCCCC[C@@H](CO)O TS07255 [1,1,0,0,0,0|0,0,1]=3 397 B9R0.46 CCCCCC[C@H](CF)O TS07486 [1,1,0,0,0,0|1,0,1]=4 398 B9R0.46 CCCCCC[C@H](CO)O TS07254 [1,1,0,0,0,0|0,0,1]=3 399 B9R0.46 CCCCCOC(=O)C=C TS06719 [1,1,0,0,0,0|1,0,1]=4 400 B9R0.46 CCCCCOC(=O)CC TS06970 [1,1,0,0,0,0|1,0,1]=4 401 B9R0.46 CCCCCOC(=O)CN TS48166 [1,1,0,0,0,0|2,0,0]=4 402 B9R0.46 CC[C@H](C)CCCCCO TS40233 [1,1,0,0,0,0|0,0,1]=3 403 B9R0.46 COC(=O)CCCCCBr TS20689 [1,1,0,0,0,0|2,0,0]=4 404 B9R0.46 COC(=O)CCCCCN TS48164 [1,1,0,0,0,0|2,0,0]=4 405 B9R0.46 COC(=O)CCCCCO TS40427 [1,1,0,0,0,0|2,0,0]=4 406 B11R0.2 CCCCCCC(=O)CC(C)C TS45202 [0,2,0,0,0,0|1,0,1]=4 407 B11R0.4 CCC=CCCOC(C)OCC TS45509 [0,2,0,0,0,0|2,0,0]=4 408 B11R0.4 CCCC(=O)OCCC=CCC TS12852 [0,2,0,0,0,0|1,0,1]=4 409 B11R0.4 CCCCCC=CC(=O)OCC TS12851 [0,2,0,0,0,0|1,0,1]=4 410 B11R0.4 CCCCCCCC(=O)OCC TS45501 [0,2,0,0,0,0|1,0,1]=4 411 B11R0.4 CCCCCCOC(=O)CCC TS45526 [0,2,0,0,0,0|1,0,1]=4 412 B11R0.4 CCOC(=O)CCCCCCBr TS26009 [0,2,0,0,0,0|2,0,0]=4 413 B11R0.4 CCOC(=O)CCCCCCN TS20825 [0,2,0,0,0,0|2,0,0]=4 414 B11R0.4 CCOC(=O)CCCCCCN TS45672 [0,2,0,0,0,0|2,0,0]=4 415 B11R0.81 CCCCCCC(=O)OCC=C TS12864 [0,2,0,0,0,0|2,0,0]=4 416 B11R0.81 CCCCCCC(=O)OCCC TS13224 [0,2,0,0,0,0|1,0,1]=4 417 B11R0.155 CCCCCC(C(=CCC)C)O TS12879 [0,2,0,0,0,0|1,0,0]=3 418 B11R0.155 CCCCCC(C(=O)OCC)Br TS26011 [0,2,0,0,0,0|2,0,0]=4 419 B11R0.40 C(CCCC(CO)O)CCCO TS46147 [0,2,0,0,0,0|0,0,2]=4 420 B11R0.40 CCCCCCC=CC(=O)OC TS45171 [0,2,0,0,0,0|0,0,1]=3 421 B11R0.40 CCCCCCCCC(=O)CC TS12886 [0,2,0,0,0,0|1,0,1]=4 422 B11R0.40 CCCCCCCCC(CC)O TS45539 [0,2,0,0,0,0|0,0,2]=4 423 B11R0.40 CCCCCCCCC(CO)O TS45836 [0,2,0,0,0,0|0,0,2]=4 424 B11R0.40 CCCCCCCC[C@@H](CO)O TS45841 [0,2,0,0,0,0|0,0,2]=4 425 B11R0.40 CCCCCCCC[C@H](CO)O TS45840 [0,2,0,0,0,0|0,0,2]=4 426 B11R0.42 CCCCCCOC(=O)C(C)C TS45507 [0,2,0,0,0,0|2,0,0]=4 427 B11R0.148 B(C=CCCCCCCC)(O)O TS12749 [0,2,0,0,0,0|1,0,0]=3 428 B11R0.148 CCCCCC=CCCC(=O)O TS45160 [0,2,0,0,0,0|0,0,2]=4 429 B11R0.148 CCCCCCCC=CC(=O)O TS12863 [0,2,0,0,0,0|0,0,1]=3 430 B11R0.148 CCCCCCCCCC(=O)O TS45503 [0,2,0,0,0,0|0,0,2]=4 431 B11R0.148 CCCCOCCOCC(C)O TS46148 [0,2,0,0,0,0|1,0,1]=4 432 B11R0.148 CN(C)CCCCCCCCO TS45676 [0,2,0,0,0,0|0,0,2]=4 433 B11R0.3 C#CCCCCCCCCCO TS44914 [0,2,0,0,0,0|0,0,2]=4 434 B11R0.3 C(CCCCCBr)CCCCO TS34605 [0,2,0,0,0,0|0,0,2]=4 435 B11R0.3 C(CCCCCCl)CCCCO TS51578 [0,2,0,0,0,0|0,0,2]=4 436 B11R0.3 C(CCCCCO)CCCCN TS45677 [0,2,0,0,0,0|0,0,2]=4 437 B11R0.3 C(CCCCCO)CCCCO TS07870 [0,2,0,0,0,0|0,0,2]=4 438 B11R0.3 C(CCSCCO)CSCCO TS43873 [0,2,0,0,0,0|1,0,1]=4 439 B11R0.3 C=CCCCCCCCCCO TS12885 [0,2,0,0,0,0|0,0,2]=4 440 B11R0.3 CCC=CCCCCCCC=O TS44926 [0,2,0,0,0,0|1,0,0]=3 441 B11R0.3 CCCCCCC=CC=CC=O TS43133 [0,2,0,0,0,0|0,0,2]=4 442 B11R0.3 CCCCCCC=CC=CCO TS44924 [0,2,0,0,0,0|0,0,0]=2 443 B11R0.3 CCCCCCCCC=CC=O TS44921 [0,2,0,0,0,0|0,0,2]=4 444 B11R0.3 CCCCCCCCC=CCO TS12884 [0,2,0,0,0,0|0,0,0]=2 445 B11R0.3 CCCCCCCCCCCO TS45537 [0,2,0,0,0,0|0,0,2]=4 446 B11R0.3 CCCCCCCCCCOC TS45542 [0,2,0,0,0,0|0,0,2]=4 447 B11R0.3 CCCCCCCCCOC=O TS13219 [0,2,0,0,0,0|0,0,2]=4 448 B11R0.3 CCCCCCCCOCCO TS45839 [0,2,0,0,0,0|0,0,2]=4 449 B11R0.3 CCCCCCCCSCCO TS51196 [0,2,0,0,0,0|0,0,2]=4 450 B11R0.3 CCCCCOCCOCCO TS46149 [0,2,0,0,0,0|0,0,2]=4 451 B11R0.3 CCCCOCCOCCOC TS46151 [0,2,0,0,0,0|1,0,1]=4 452 B11R0.3 CCOCCOCCOCCO TS14214 [0,2,0,0,0,0|1,0,1]=4 453 B11R0.152 CCCCC(CC)COCCO TS45835 [0,2,0,0,0,0|1,0,1]=4 454 B9R1.5 C1CC[C@@H]([C@H](CC1)O)O TS05544 [1,0,0,1,0,0|1,0,1]=4 455 B9R1.5 C1CC[C@H]([C@@H](CC1)O)O TS05561 [1,0,0,1,0,0|1,0,1]=4 456 B9R1.8 C1CC(CNC1)CCO TS32945 [1,0,0,1,0,0|1,0,1]=4 457 B9R1.8 C1CCC(=CC#N)CC1 TS32468 [1,0,0,1,0,0|1,0,1]=4 458 B9R1.8 C1CCC(CC1)CCBr TS17234 [1,0,0,1,0,0|1,0,1]=4 459 B9R1.8 C1CCC(CC1)CCN TS11778 [1,0,0,1,0,0|1,0,1]=4 460 B9R1.8 C1CCC(CC1)CCN TS36254 [1,0,0,1,0,0|1,0,1]=4 461 B9R1.8 C1CCC(CC1)NC=O TS05278 [1,0,0,1,0,0|1,0,1]=4 462 B9R1.8 C1CCC(CC1)OC=O TS05353 [1,0,0,1,0,0|1,0,1]=4 463 B9R1.8 C1CCN(CC1)CCO TS05482 [1,0,0,1,0,0|1,0,1]=4 464 B9R1.8 C1CCNC(C1)CCO TS02459 [1,0,0,1,0,0|1,0,1]=4 465 B9R1.8 C1CCOC(C1)CCN TS05479 [1,0,0,1,0,0|1,0,1]=4 466 B9R1.8 C1CNCCC1CCO TS71281 [1,0,0,1,0,0|1,0,1]=4 467 B9R1.8 C1COCCC1CCO TS60058 [1,0,0,1,0,0|1,0,1]=4 468 B9R1.8 C=C=CC1CCCCC1 TS32530 [1,0,0,1,0,0|0,0,2]=4 469 B9R1.8 C=CC=C1CCCCC1 TS32533 [1,0,0,1,0,0|0,0,2]=4 470 B9R1.8 C=CCC1CCCCC1 TS05041 [1,0,0,1,0,0|0,0,2]=4 471 B9R1.8 C=CCC1CCCCC1 TS15012 [1,0,0,1,0,0|0,0,2]=4 472 B9R1.8 C=COC1CCCCC1 TS05195 [1,0,0,1,0,0|1,0,1]=4 473 B9R1.8 CC#CC1CCCCC1 TS04925 [1,0,0,1,0,0|0,0,2]=4 474 B9R1.8 CCCC1CCCCC1 TS36184 [1,0,0,1,0,0|0,0,2]=4 475 B9R1.8 CCCC1CCCCN1 TS02180 [1,0,0,1,0,0|1,0,1]=4 476 B9R1.8 CCCC1CCCCN1 TS11779 [1,0,0,1,0,0|1,0,1]=4 477 B9R1.8 CCCC1CCCCO1 TS05388 [1,0,0,1,0,0|0,0,1]=3 478 B9R1.8 CCCC1CCNCC1 TS11777 [1,0,0,1,0,0|1,0,1]=4 479 B9R1.8 CCCC1CCNCC1 TS36258 [1,0,0,1,0,0|1,0,1]=4 480 B9R1.8 CCNC1CCCCC1 TS36260 [1,0,0,1,0,0|1,0,1]=4 481 B9R1.8 CCOC1CCC=CO1 TS36292 [1,0,0,1,0,0|1,0,0]=3 482 B9R1.8 CNCC1CCCCO1 TS36422 [1,0,0,1,0,0|1,0,1]=4 483 B9R1.12 C1CCN(C1)CCCO TS36426 [1,0,0,1,0,0|1,0,1]=4 484 B9R1.12 CCC=CC1CCCC1 TS05058 [1,0,0,1,0,0|1,0,0]=3 485 B9R1.12 CCCCC1CCCC1 TS36178 [1,0,0,1,0,0|0,0,2]=4 486 B9R1.12 CCCCC1CCCC1 TS61460 [1,0,0,1,0,0|0,0,2]=4 487 B9R1.12 CCCCC1CCCC1 TS66426 [1,0,0,1,0,0|0,0,2]=4 488 B9R1.12 CCCCC1CCCC1 TS71915 [1,0,0,1,0,0|0,0,2]=4 489 B9R1.12 CCCCC1CCCC1 TS81233 [1,0,0,1,0,0|0,0,2]=4 490 B9R1.12 CCCCC1CCCC1 TS81832 [1,0,0,1,0,0|0,0,2]=4 491 B9R1.12 CCCCC1CCCC1 TS83585 [1,0,0,1,0,0|0,0,2]=4 492 B9R1.12 CCCCc1ccco1 TS35998 [1,0,0,1,0,0|0,0,2]=4 493 B9R1.12 CCOCC1CCCO1 TS36503 [1,0,0,1,0,0|1,0,1]=4 494 B9R1.14 CC[C@@H]1CCC[C@H]1CC TS05207 [1,0,0,1,0,0|0,0,2]=4 495 B9R1.15 C1CCC(=O)C(=CO)C1 TS36117 [1,0,0,1,0,0|1,0,1]=4 496 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O TS59456 [1,0,0,1,0,0|1,0,1]=4 497 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N TS12117 [1,0,0,1,0,0|1,0,1]=4 498 B9R1.15 C1CC[C@H]([C@H](C1)CN)O TS12116 [1,0,0,1,0,0|1,0,1]=4 499 B9R1.15 C1CC[C@H]([C@H](C1)CO)N TS12118 [1,0,0,1,0,0|1,0,1]=4 500 B9R1.15 CC=C1CCCCC1=O TS36005 [1,0,0,1,0,0|1,0,1]=4 501 B9R1.15 CC[C@@H]1CCCC[C@@H]1C TS05230 [1,0,0,1,0,0|0,0,2]=4 502 B9R1.15 CC[C@@H]1CCCC[C@H]1C TS05214 [1,0,0,1,0,0|0,0,2]=4 503 B9R1.15 CN1CCCCC1CO TS46982 [1,0,0,1,0,0|1,0,1]=4 504 B9R1.15 CN[C@@H]1CCCC[C@H]1O TS94624 [1,0,0,1,0,0|1,0,1]=4 505 B9R1.15 CN[C@@H]1CCCC[C@H]1O TS94625 [1,0,0,1,0,0|1,0,1]=4 506 B9R1.15 CO[C@H]1CCCC[C@@H]1O TS05565 [1,0,0,1,0,0|1,0,1]=4 507 B9R1.33 CN1CCCC1CCO TS16652 [1,0,0,1,0,0|1,0,1]=4 508 B9R1.50 C1CCCC(CCC1)Br TS17235 [1,0,0,1,0,0|1,0,1]=4 509 B9R1.50 C1CCCNC(=O)CC1 TS05275 [1,0,0,1,0,0|1,0,1]=4 510 B9R1.50 CC1=CCCCCCC1 TS05043 [1,0,0,1,0,0|0,0,0]=2 511 B9R1.50 CC1CC=CCCC=C1 TS32528 [1,0,0,1,0,0|0,0,2]=4 512 B9R1.50 CC1CCCCCC=C1 TS05055 [1,0,0,1,0,0|1,0,0]=3 513 B9R1.50 CC1CCCCCCC1 TS05222 [1,0,0,1,0,0|0,0,2]=4 514 B9R1.83 CCCCCCC1CO1 TS05397 [1,0,0,1,0,0|0,0,1]=3 515 B9R1.83 CCCCCC[C@@H]1CO1 TS05392 [1,0,0,1,0,0|0,0,1]=3 516 B9R1.83 CCCCOCC1CO1 TS36506 [1,0,0,1,0,0|1,0,1]=4 517 B9R1.89 C1CCC=C(CC1)C#N TS32476 [1,0,0,1,0,0|1,0,1]=4 518 B9R1.89 C1CCCC(=NO)CC1 TS05273 [1,0,0,1,0,0|1,0,0]=3 519 B9R1.89 C1CCCC(CC1)C=O TS05193 [1,0,0,1,0,0|0,0,2]=4 520 B9R1.89 C1CCCC(CC1)CI TS26149 [1,0,0,1,0,0|1,0,1]=4 521 B9R1.89 C1CCCC(CC1)CN TS01403 [1,0,0,1,0,0|1,0,1]=4 522 B9R1.89 C1CCCC(CC1)CO TS05384 [1,0,0,1,0,0|0,0,1]=3 523 B9R1.89 CC=C1CCCCCC1 TS05056 [1,0,0,1,0,0|0,0,0]=2 524 B9R1.89 COC1=NCCCCC1 TS36236 [1,0,0,1,0,0|2,0,0]=4 525 B11R1.4 CCCCCCC1OCCO1 TS41943 [0,1,0,1,0,0|0,0,2]=4 526 B11R1.4 CCCCCCc1cccs1 TS65619 [0,1,0,1,0,0|0,1,1]=4 527 B11R1.4 CCCCCCc1ccsc1 TS02785 [0,1,0,1,0,0|0,1,1]=4 528 B11R1.16 CCCC(=O)C1CCCCC1 TS41427 [0,1,0,1,0,0|1,0,1]=4 529 B11R1.16 CCOC(=O)C1CCCCC1 TS10722 [0,1,0,1,0,0|2,0,0]=4 530 B11R1.101 C1CCCCC(=O)CCCC1 TS59759 [0,1,0,1,0,0|1,0,1]=4 531 B11R1.101 C1CCCCC(CCCC1)O TS10745 [0,1,0,1,0,0|0,0,2]=4 532 B11R1.180 CCCCCC1CCCC1=O TS41436 [0,1,0,1,0,0|1,0,1]=4 533 B11R1.27 CCCCCC1OCC(O1)C TS11037 [0,1,0,1,0,0|1,0,1]=4 534 B11R1.91 C1CCC(CC1)C=CC(=O)O TS41400 [0,1,0,1,0,0|0,0,1]=3 535 B11R1.99 CCCCCCCCC1CO1 TS10750 [0,1,0,1,0,0|0,0,2]=4 536 B11R1.99 CCCCCCCC[C@@H]1CO1 TS41692 [0,1,0,1,0,0|0,0,2]=4 537 B11R1.99 CCCCCCOC[C@H]1CO1 TS11040 [0,1,0,1,0,0|0,0,2]=4 538 B11R1.17 CCCCC1CCCCC1O TS10744 [0,1,0,1,0,0|0,0,2]=4 539 B11R1.28 C1CCC(CC1)CCCCO TS41690 [0,1,0,1,0,0|0,0,2]=4 540 B11R1.1 CCCCC1CCC(=O)CC1 TS10476 [0,1,0,1,0,0|1,0,1]=4 541 B11R1.40 C1CCC(CC1)C=C(CO)Br TS22544 [0,1,0,1,0,0|0,0,0]=2 542 B11R1.40 C1CCC(CC1)C[C@@H](CO)N TS33129 [0,1,0,1,0,0|0,0,2]=4 543 B11R1.40 C1CCC(CC1)NC(=O)CCl TS46019 [0,1,0,1,0,0|2,0,0]=4 544 B11R1.40 C1CCC(CC1)NC(=O)CN TS39645 [0,1,0,1,0,0|2,0,0]=4 545 B11R1.40 C1CCC(CC1)NC(=O)CN TS41668 [0,1,0,1,0,0|2,0,0]=4 546 B11R1.40 C1CCC(CC1)OC(=O)CCl TS46197 [0,1,0,1,0,0|2,0,0]=4 547 B11R1.40 CCC(=O)OC1CCCCC1 TS41643 [0,1,0,1,0,0|2,0,0]=4 548 B11R1.214 CCCCc1[nH]c(cn1)CO TS00064 [0,1,0,1,0,0|1,0,1]=4 549 B11R1.852 C1CCCN(CC1)C(=O)CCl TS46021 [0,1,0,1,0,0|2,0,0]=4 550 B11R2.20 C1CCC2=C(C1)CC=CC2 TS36861 [0,0,0,2,0,0|1,0,1]=4 551 B11R2.20 C1CCC2C=CC=CC2C1 TS36857 [0,0,0,2,0,0|1,0,1]=4 552 B11R2.1261 C1CCC2(CC1)OCCO2 TS06718 [0,0,0,2,0,0|1,0,1]=4 553 B11R2.2 C1CCC(C1)C2CCC=C2 TS06126 [0,0,0,2,0,0|1,0,0]=3