0 B7R0.1 C#CCCCCC#C TS04098 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.1 C#CCCCCCO TS01237 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.1 C(CCC#N)CCBr TS39357 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 C(CCC#N)CCCl TS05684 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.1 C(CCC#N)CCN TS04328 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.1 C(CCC=O)CC=O TS29478 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.1 C(CCCBr)CCBr TS07890 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.1 C(CCCBr)CCCl TS00416 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.1 C(CCCBr)CCO TS59727 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.1 C(CCCCl)CCCl TS10546 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.1 C(CCCCl)CCO TS06143 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.1 C(CCCI)CCCl TS27509 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.1 C(CCCN)CCN TS04632 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.1 C(CCCN)CCN TS41228 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.1 C(CCCN)CCN TS41960 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.1 C(CCCN)CCN TS42181 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.1 C(CCCO)CCN TS39356 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.1 C(CCCO)CCO TS46825 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.1 C(CCCS)CCO TS36872 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.1 C(CCCS)CCS TS40940 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.1 C(CCC[Zn+])CCCl TS68903 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.1 C(CCO)CC=NO TS04658 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.1 C(CN)CNCCBr TS56331 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.1 C(CN)CNCCN TS32302 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.1 C(CN)CNCCO TS56334 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.1 C(CNCCN)C#N TS32023 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.1 C(CNCCN)CO TS32350 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.1 C(CNCCO)CO TS04790 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.1 C(CSCCO)C#N TS05678 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.1 C=CCCC=CC=C TS31784 [0,0,0,0,0,0|0,0,4]=4 30 B7R0.1 C=CCCCCC#N TS31810 [0,0,0,0,0,0|1,0,1]=2 31 B7R0.1 C=CCCCCC=C TS04214 [0,0,0,0,0,0|0,0,2]=2 32 B7R0.1 C=CCCCCCBr TS59625 [0,0,0,0,0,0|1,0,0]=1 33 B7R0.1 C=CCCCCCCl TS36738 [0,0,0,0,0,0|1,0,0]=1 34 B7R0.1 C=CCCCCCO TS04461 [0,0,0,0,0,0|1,0,0]=1 35 B7R0.1 C=CCCCN=C=S TS36244 [0,0,0,0,0,0|2,0,1]=3 36 B7R0.1 C=CCOCCC#N TS31876 [0,0,0,0,0,0|2,0,1]=3 37 B7R0.1 C=CCOCCCO TS04587 [0,0,0,0,0,0|2,0,0]=2 38 B7R0.1 C=CCSSCC=C TS40473 [0,0,0,0,0,0|2,0,2]=4 39 B7R0.1 C=COCCCCO TS32203 [0,0,0,0,0,0|2,0,0]=2 40 B7R0.1 CC#CCNCC=C TS31809 [0,0,0,0,0,0|1,0,2]=3 41 B7R0.1 CC=CCCC=CC TS31853 [0,0,0,0,0,0|0,0,4]=4 42 B7R0.1 CCC#CCCCCl TS36574 [0,0,0,0,0,0|1,0,3]=4 43 B7R0.1 CCC=CCCC=O TS04313 [0,0,0,0,0,0|1,0,2]=3 44 B7R0.1 CCC=CCCCO TS04463 [0,0,0,0,0,0|1,0,3]=4 45 B7R0.1 CCCC#CCC=C TS04139 [0,0,0,0,0,0|0,0,2]=2 46 B7R0.1 CCCC#CCCC TS31857 [0,0,0,0,0,0|0,0,4]=4 47 B7R0.1 CCCC#CCCO TS31945 [0,0,0,0,0,0|1,0,3]=4 48 B7R0.1 CCCC=CC=CC TS31845 [0,0,0,0,0,0|0,0,4]=4 49 B7R0.1 CCCC=CCC=C TS31855 [0,0,0,0,0,0|0,0,2]=2 50 B7R0.1 CCCC=CCCC TS31958 [0,0,0,0,0,0|0,0,4]=4 51 B7R0.1 CCCC=CCCO TS04459 [0,0,0,0,0,0|1,0,3]=4 52 B7R0.1 CCCCC#CC=C TS31785 [0,0,0,0,0,0|0,0,2]=2 53 B7R0.1 CCCCC#CCC TS31859 [0,0,0,0,0,0|0,0,4]=4 54 B7R0.1 CCCCC#CCO TS31930 [0,0,0,0,0,0|1,0,3]=4 55 B7R0.1 CCCCC=CC=C TS31850 [0,0,0,0,0,0|0,0,2]=2 56 B7R0.1 CCCCC=CC=O TS04311 [0,0,0,0,0,0|1,0,2]=3 57 B7R0.1 CCCCC=CCC TS04348 [0,0,0,0,0,0|0,0,4]=4 58 B7R0.1 CCCCC=CCC TS31974 [0,0,0,0,0,0|0,0,4]=4 59 B7R0.1 CCCCC=CCO TS32112 [0,0,0,0,0,0|1,0,3]=4 60 B7R0.1 CCCCCC#CC TS31856 [0,0,0,0,0,0|0,0,3]=3 61 B7R0.1 CCCCCC=CC TS31964 [0,0,0,0,0,0|0,0,2]=2 62 B7R0.1 CCCCCCC#C TS31852 [0,0,0,0,0,0|0,0,2]=2 63 B7R0.1 CCCCCCC#N TS31893 [0,0,0,0,0,0|1,0,1]=2 64 B7R0.1 CCCCCCC=O TS32096 [0,0,0,0,0,0|1,0,0]=1 65 B7R0.1 CCCCCCCBr TS00035 [0,0,0,0,0,0|1,0,1]=2 66 B7R0.1 CCCCCCCCl TS36887 [0,0,0,0,0,0|1,0,1]=2 67 B7R0.1 CCCCCCCF TS32353 [0,0,0,0,0,0|1,0,1]=2 68 B7R0.1 CCCCCCCI TS52275 [0,0,0,0,0,0|1,0,1]=2 69 B7R0.1 CCCCCCCN TS04552 [0,0,0,0,0,0|1,0,1]=2 70 B7R0.1 CCCCCCCO TS32232 [0,0,0,0,0,0|1,0,1]=2 71 B7R0.1 CCCCCCCS TS05788 [0,0,0,0,0,0|1,0,1]=2 72 B7R0.1 CCCCCCNC TS04559 [0,0,0,0,0,0|1,0,1]=2 73 B7R0.1 CCCCCCOC TS32254 [0,0,0,0,0,0|1,0,1]=2 74 B7R0.1 CCCCCCSC TS05792 [0,0,0,0,0,0|1,0,1]=2 75 B7R0.1 CCCCCN=C=O TS04390 [0,0,0,0,0,0|2,0,1]=3 76 B7R0.1 CCCCCN=C=S TS36444 [0,0,0,0,0,0|2,0,1]=3 77 B7R0.1 CCCCCNCC TS04550 [0,0,0,0,0,0|1,0,2]=3 78 B7R0.1 CCCCCOCC TS32236 [0,0,0,0,0,0|1,0,2]=3 79 B7R0.1 CCCCCON=O TS04662 [0,0,0,0,0,0|3,0,0]=3 80 B7R0.1 CCCCCSCC TS36717 [0,0,0,0,0,0|1,0,2]=3 81 B7R0.1 CCCCNCC#C TS31888 [0,0,0,0,0,0|1,0,2]=3 82 B7R0.1 CCCCNCCC TS04557 [0,0,0,0,0,0|1,0,2]=3 83 B7R0.1 CCCCNCCN TS04633 [0,0,0,0,0,0|2,0,1]=3 84 B7R0.1 CCCCNCCO TS32289 [0,0,0,0,0,0|2,0,1]=3 85 B7R0.1 CCCCNCCS TS36787 [0,0,0,0,0,0|2,0,1]=3 86 B7R0.1 CCCCOCC=C TS32094 [0,0,0,0,0,0|1,0,0]=1 87 B7R0.1 CCCCOCCBr TS48031 [0,0,0,0,0,0|2,0,1]=3 88 B7R0.1 CCCCOCCCl TS06142 [0,0,0,0,0,0|2,0,1]=3 89 B7R0.1 CCCCOCCO TS04738 [0,0,0,0,0,0|2,0,1]=3 90 B7R0.1 CCCCSCC#N TS36442 [0,0,0,0,0,0|2,0,1]=3 91 B7R0.1 CCCCSCCC TS05790 [0,0,0,0,0,0|1,0,2]=3 92 B7R0.1 CCCCSCCO TS36874 [0,0,0,0,0,0|2,0,1]=3 93 B7R0.1 CCCCSSCC TS40937 [0,0,0,0,0,0|2,0,2]=4 94 B7R0.1 CCCNCCC#N TS04329 [0,0,0,0,0,0|2,0,1]=3 95 B7R0.1 CCCNCCCN TS32259 [0,0,0,0,0,0|2,0,1]=3 96 B7R0.1 CCCNCCN=O TS04604 [0,0,0,0,0,0|3,0,0]=3 97 B7R0.1 CCCOCCCN TS32295 [0,0,0,0,0,0|2,0,1]=3 98 B7R0.1 CCCSSCC=C TS40693 [0,0,0,0,0,0|2,0,0]=2 99 B7R0.1 CCCSSCCC TS40941 [0,0,0,0,0,0|2,0,2]=4 100 B7R0.1 CCNCCCCN TS36623 [0,0,0,0,0,0|2,0,1]=3 101 B7R0.1 CCNCCCCO TS32294 [0,0,0,0,0,0|2,0,1]=3 102 B7R0.1 CCNCCNCC TS32258 [0,0,0,0,0,0|2,0,2]=4 103 B7R0.1 CCOCCCCCl TS06141 [0,0,0,0,0,0|2,0,1]=3 104 B7R0.1 CCOCCOCC TS32341 [0,0,0,0,0,0|2,0,2]=4 105 B7R0.1 CNCCCCC=C TS93899 [0,0,0,0,0,0|1,0,0]=1 106 B7R0.1 CNCCCCNC TS04634 [0,0,0,0,0,0|2,0,1]=3 107 B7R0.1 CNCCNCCN TS32303 [0,0,0,0,0,0|3,0,1]=4 108 B7R0.1 COCCCN=C=S TS05679 [0,0,0,0,0,0|3,0,1]=4 109 B7R0.1 COCCOCCBr TS48373 [0,0,0,0,0,0|3,0,1]=4 110 B7R0.1 COCCOCCCl TS37251 [0,0,0,0,0,0|3,0,1]=4 111 B7R0.1 CSCCCCSC TS40938 [0,0,0,0,0,0|2,0,1]=3 112 B7R0.1 CSCCCN=C=S TS07376 [0,0,0,0,0,0|3,0,1]=4 113 B6R0.6 C#CCCCCCl TS04652 [1,0,0,0,0,0|1,0,2]=4 114 B6R0.6 C#CCCCCO TS31426 [1,0,0,0,0,0|1,0,2]=4 115 B6R0.6 C(CBr)OCCBr TS08788 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.6 C(CC=O)CC=O TS03842 [1,0,0,0,0,0|2,0,1]=4 117 B6R0.6 C(CC=O)CC=O TS38555 [1,0,0,0,0,0|2,0,1]=4 118 B6R0.6 C(CCBr)CC#N TS11479 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.6 C(CCBr)CCBr TS07888 [1,0,0,0,0,0|2,0,0]=3 120 B6R0.6 C(CCCl)CC#N TS08706 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.6 C(CCCl)CC=O TS32450 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.6 C(CCCl)CCBr TS48788 [1,0,0,0,0,0|2,0,0]=3 123 B6R0.6 C(CCCl)CCCl TS06550 [1,0,0,0,0,0|2,0,0]=3 124 B6R0.6 C(CCCl)CCI TS53384 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.6 C(CCCl)CC[Zn+] TS28126 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.6 C(CCI)CCI TS77462 [1,0,0,0,0,0|2,0,0]=3 127 B6R0.6 C(CCN)CCN TS03978 [1,0,0,0,0,0|2,0,0]=3 128 B6R0.6 C(CCN)CCN TS45899 [1,0,0,0,0,0|2,0,0]=3 129 B6R0.6 C(CCN)CCO TS04006 [1,0,0,0,0,0|2,0,0]=3 130 B6R0.6 C(CCO)CC=O TS03340 [1,0,0,0,0,0|2,0,0]=3 131 B6R0.6 C(CCO)CCBr TS09812 [1,0,0,0,0,0|2,0,0]=3 132 B6R0.6 C(CCO)CCCl TS71520 [1,0,0,0,0,0|2,0,0]=3 133 B6R0.6 C(CCO)CCO TS46820 [1,0,0,0,0,0|2,0,0]=3 134 B6R0.6 C(CCS)CCS TS37065 [1,0,0,0,0,0|2,0,0]=3 135 B6R0.6 C(CC[Zn+])CC#N TS24406 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.6 C(CCl)NCCCl TS55773 [1,0,0,0,0,0|3,0,0]=4 137 B6R0.6 C(CCl)OCCCl TS00044 [1,0,0,0,0,0|3,0,0]=4 138 B6R0.6 C(CI)OCCI TS63369 [1,0,0,0,0,0|3,0,0]=4 139 B6R0.6 C(CNCCN)N TS04014 [1,0,0,0,0,0|3,0,0]=4 140 B6R0.6 C(CNCCO)N TS00063 [1,0,0,0,0,0|3,0,0]=4 141 B6R0.6 C(CO)NCCO TS04076 [1,0,0,0,0,0|3,0,0]=4 142 B6R0.6 C(CO)NCCO TS37530 [1,0,0,0,0,0|3,0,0]=4 143 B6R0.6 C(CO)NCCO TS76269 [1,0,0,0,0,0|3,0,0]=4 144 B6R0.6 C(COCC=O)O TS31664 [1,0,0,0,0,0|3,0,0]=4 145 B6R0.6 C(COCCCl)O TS36027 [1,0,0,0,0,0|3,0,0]=4 146 B6R0.6 C(COCCN)N TS04047 [1,0,0,0,0,0|3,0,0]=4 147 B6R0.6 C(COCCN)N TS47125 [1,0,0,0,0,0|3,0,0]=4 148 B6R0.6 C(COCCO)N TS04075 [1,0,0,0,0,0|3,0,0]=4 149 B6R0.6 C(COCCO)O TS01431 [1,0,0,0,0,0|3,0,0]=4 150 B6R0.6 C(COCCS)O TS32524 [1,0,0,0,0,0|3,0,0]=4 151 B6R0.6 C(CS)OCCS TS37236 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.6 C(CSCCN)N TS32436 [1,0,0,0,0,0|3,0,0]=4 153 B6R0.6 C(CSCCO)N TS04873 [1,0,0,0,0,0|3,0,0]=4 154 B6R0.6 C(CSCCO)O TS32771 [1,0,0,0,0,0|3,0,0]=4 155 B6R0.6 C(CSCCS)S TS10516 [1,0,0,0,0,0|3,0,0]=4 156 B6R0.6 C=CCCCC#C TS03679 [1,0,0,0,0,0|0,0,2]=3 157 B6R0.6 C=CCCCC=C TS03728 [1,0,0,0,0,0|0,0,2]=3 158 B6R0.6 C=CCCCCBr TS33003 [1,0,0,0,0,0|1,0,0]=2 159 B6R0.6 C=CCCCCCl TS04773 [1,0,0,0,0,0|1,0,0]=2 160 B6R0.6 C=CCCCCN TS03830 [1,0,0,0,0,0|1,0,0]=2 161 B6R0.6 C=CCCCCO TS71562 [1,0,0,0,0,0|1,0,0]=2 162 B6R0.6 C=CCCOCCl TS04837 [1,0,0,0,0,0|2,0,0]=3 163 B6R0.6 C=CCNCC=C TS34576 [1,0,0,0,0,0|1,0,2]=4 164 B6R0.6 C=CCNCC=C TS36797 [1,0,0,0,0,0|1,0,2]=4 165 B6R0.6 C=CCOCC=C TS31429 [1,0,0,0,0,0|1,0,2]=4 166 B6R0.6 C=CCOCCBr TS42844 [1,0,0,0,0,0|2,0,0]=3 167 B6R0.6 C=CCOCCCl TS32452 [1,0,0,0,0,0|2,0,0]=3 168 B6R0.6 C=CCOCCO TS31592 [1,0,0,0,0,0|2,0,0]=3 169 B6R0.6 C=CCSCC=C TS04499 [1,0,0,0,0,0|1,0,2]=4 170 B6R0.6 C=CC[Te]CC=C TS43706 [1,0,0,0,0,0|1,0,2]=4 171 B6R0.6 CC=CCCCO TS31509 [1,0,0,0,0,0|1,0,2]=4 172 B6R0.6 CC=CCCCO TS31521 [1,0,0,0,0,0|1,0,2]=4 173 B6R0.6 CCC#CCC=C TS03677 [1,0,0,0,0,0|0,0,2]=3 174 B6R0.6 CCC=CCC=O TS31443 [1,0,0,0,0,0|1,0,2]=4 175 B6R0.6 CCC=CCCO TS31511 [1,0,0,0,0,0|1,0,2]=4 176 B6R0.6 CCC=CCCO TS31515 [1,0,0,0,0,0|1,0,2]=4 177 B6R0.6 CCCC#CC=C TS03678 [1,0,0,0,0,0|0,0,2]=3 178 B6R0.6 CCCC#CCC TS03730 [1,0,0,0,0,0|0,0,3]=4 179 B6R0.6 CCCC=CC=O TS31421 [1,0,0,0,0,0|1,0,2]=4 180 B6R0.6 CCCC=CC=O TS31438 [1,0,0,0,0,0|1,0,2]=4 181 B6R0.6 CCCC=CC=O TS31444 [1,0,0,0,0,0|1,0,2]=4 182 B6R0.6 CCCC=CCO TS03865 [1,0,0,0,0,0|1,0,2]=4 183 B6R0.6 CCCCC#CC TS03724 [1,0,0,0,0,0|0,0,3]=4 184 B6R0.6 CCCCC=CBr TS11653 [1,0,0,0,0,0|1,0,1]=3 185 B6R0.6 CCCCC=CC TS03803 [1,0,0,0,0,0|0,0,2]=3 186 B6R0.6 CCCCCC#C TS03726 [1,0,0,0,0,0|0,0,2]=3 187 B6R0.6 CCCCCC#N TS31405 [1,0,0,0,0,0|1,0,1]=3 188 B6R0.6 CCCCCC=C TS31453 [1,0,0,0,0,0|0,0,0]=1 189 B6R0.6 CCCCCC=O TS39877 [1,0,0,0,0,0|1,0,0]=2 190 B6R0.6 CCCCCCBr TS00036 [1,0,0,0,0,0|1,0,0]=2 191 B6R0.6 CCCCCCC TS03885 [1,0,0,0,0,0|0,0,1]=2 192 B6R0.6 CCCCCCCl TS04842 [1,0,0,0,0,0|1,0,0]=2 193 B6R0.6 CCCCCCF TS31676 [1,0,0,0,0,0|1,0,0]=2 194 B6R0.6 CCCCCCI TS93973 [1,0,0,0,0,0|1,0,0]=2 195 B6R0.6 CCCCCCN TS31561 [1,0,0,0,0,0|1,0,0]=2 196 B6R0.6 CCCCCCN TS37145 [1,0,0,0,0,0|1,0,0]=2 197 B6R0.6 CCCCCCO TS39881 [1,0,0,0,0,0|1,0,0]=2 198 B6R0.6 CCCCCCS TS04753 [1,0,0,0,0,0|1,0,0]=2 199 B6R0.6 CCCCCC[SiH3] TS04643 [1,0,0,0,0,0|0,1,0]=2 200 B6R0.6 CCCCCC[Zn+] TS24970 [1,0,0,0,0,0|1,0,0]=2 201 B6R0.6 CCCCCNC TS03916 [1,0,0,0,0,0|1,0,1]=3 202 B6R0.6 CCCCCNN TS06331 [1,0,0,0,0,0|2,0,0]=3 203 B6R0.6 CCCCCSC TS04750 [1,0,0,0,0,0|1,0,1]=3 204 B6R0.6 CCCCC[Mg]Cl TS36578 [1,0,0,0,0,0|2,0,0]=3 205 B6R0.6 CCCCN=C=O TS93082 [1,0,0,0,0,0|2,0,1]=4 206 B6R0.6 CCCCN=C=S TS04546 [1,0,0,0,0,0|2,0,1]=4 207 B6R0.6 CCCCNC=O TS03902 [1,0,0,0,0,0|2,0,0]=3 208 B6R0.6 CCCCNCC TS03925 [1,0,0,0,0,0|1,0,1]=3 209 B6R0.6 CCCCOC=C TS33237 [1,0,0,0,0,0|1,0,0]=2 210 B6R0.6 CCCCOC=O TS03954 [1,0,0,0,0,0|2,0,0]=3 211 B6R0.6 CCCCOCC TS03964 [1,0,0,0,0,0|1,0,1]=3 212 B6R0.6 CCCCOCCl TS04949 [1,0,0,0,0,0|2,0,0]=3 213 B6R0.6 CCCCON=O TS31645 [1,0,0,0,0,0|3,0,0]=4 214 B6R0.6 CCCCSC#N TS04545 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.6 CCCCSCC TS04749 [1,0,0,0,0,0|1,0,1]=3 216 B6R0.6 CCCCS[SnH]=O TS23939 [1,0,0,0,0,0|3,0,0]=4 217 B6R0.6 CCCNCCC TS39857 [1,0,0,0,0,0|1,0,1]=3 218 B6R0.6 CCCNCCN TS03973 [1,0,0,0,0,0|2,0,0]=3 219 B6R0.6 CCCNCCO TS04001 [1,0,0,0,0,0|2,0,0]=3 220 B6R0.6 CCCOCCC TS03967 [1,0,0,0,0,0|1,0,1]=3 221 B6R0.6 CCCOCCC TS49356 [1,0,0,0,0,0|1,0,1]=3 222 B6R0.6 CCCOCCCl TS04951 [1,0,0,0,0,0|2,0,0]=3 223 B6R0.6 CCCOCCN TS04012 [1,0,0,0,0,0|2,0,0]=3 224 B6R0.6 CCCSC=CC TS04637 [1,0,0,0,0,0|1,0,2]=4 225 B6R0.6 CCCSCC=C TS04636 [1,0,0,0,0,0|1,0,0]=2 226 B6R0.6 CCCSCCC TS04756 [1,0,0,0,0,0|1,0,1]=3 227 B6R0.6 CCCSCCO TS32433 [1,0,0,0,0,0|2,0,0]=3 228 B6R0.6 CCCSSCC TS37066 [1,0,0,0,0,0|2,0,1]=4 229 B6R0.6 CCC[Hg]CCC TS35002 [1,0,0,0,0,0|1,0,1]=3 230 B6R0.6 CCNCCC#N TS03784 [1,0,0,0,0,0|2,0,1]=4 231 B6R0.6 CCNCCCN TS03975 [1,0,0,0,0,0|2,0,0]=3 232 B6R0.6 CCNCCNC TS03972 [1,0,0,0,0,0|2,0,1]=4 233 B6R0.6 CCOCCC#N TS03822 [1,0,0,0,0,0|2,0,1]=4 234 B6R0.6 CCOCCCBr TS12340 [1,0,0,0,0,0|2,0,0]=3 235 B6R0.6 CCOCCCCl TS04950 [1,0,0,0,0,0|2,0,0]=3 236 B6R0.6 CCOCCCN TS04010 [1,0,0,0,0,0|2,0,0]=3 237 B6R0.6 CCOCCCO TS04028 [1,0,0,0,0,0|2,0,0]=3 238 B6R0.6 CCOCCOC TS04027 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.6 CCOCOCC TS74492 [1,0,0,0,0,0|2,0,1]=4 240 B6R0.6 CCSCCCO TS32432 [1,0,0,0,0,0|2,0,0]=3 241 B6R0.6 CCSSCC=C TS36882 [1,0,0,0,0,0|2,0,0]=3 242 B6R0.6 CNCCCNC TS56351 [1,0,0,0,0,0|2,0,1]=4 243 B6R0.6 COCCCCBr TS03145 [1,0,0,0,0,0|2,0,0]=3 244 B6R0.6 COCCCCCl TS39592 [1,0,0,0,0,0|2,0,0]=3 245 B6R0.6 COCCCCO TS07977 [1,0,0,0,0,0|2,0,0]=3 246 B6R0.6 COCCOC=C TS03941 [1,0,0,0,0,0|2,0,0]=3 247 B6R0.6 COCCOCCl TS39595 [1,0,0,0,0,0|3,0,0]=4 248 B6R0.6 COCOCCBr TS44958 [1,0,0,0,0,0|3,0,0]=4 249 B6R0.6 CSCCCCO TS32429 [1,0,0,0,0,0|2,0,0]=3 250 B6R0.6 CSCCCSC TS37067 [1,0,0,0,0,0|2,0,1]=4 251 B6R0.6 CSSSCC=C TS10236 [1,0,0,0,0,0|3,0,0]=4 252 B6R0.6 [Li]CCCCCC TS03654 [1,0,0,0,0,0|1,0,0]=2 253 B8R0.1 CCCC(=O)OCC=C TS05341 [0,1,0,0,0,0|1,0,1]=3 254 B8R0.1 CCCC(C)CCCO TS36530 [0,1,0,0,0,0|1,0,1]=3 255 B8R0.1 CCCC(C)COC=O TS36501 [0,1,0,0,0,0|2,0,0]=3 256 B8R0.1 CCCCC(=O)C=CC TS05182 [0,1,0,0,0,0|0,0,3]=4 257 B8R0.1 CCCCC(=O)CCC TS36329 [0,1,0,0,0,0|0,0,3]=4 258 B8R0.1 CCCCC(=O)OC=C TS05348 [0,1,0,0,0,0|1,0,1]=3 259 B8R0.1 CCCCC(C)CCC TS05416 [0,1,0,0,0,0|0,0,2]=3 260 B8R0.1 CCCCC(C)CCO TS05597 [0,1,0,0,0,0|1,0,1]=3 261 B8R0.1 CCCCC(C)N=C=S TS06883 [0,1,0,0,0,0|2,0,1]=4 262 B8R0.1 CCCCC(C=CC)O TS05375 [0,1,0,0,0,0|0,0,2]=3 263 B8R0.1 CCCCC(CC=C)O TS36339 [0,1,0,0,0,0|0,0,0]=1 264 B8R0.1 CCCCC(CCC)Br TS51606 [0,1,0,0,0,0|0,0,2]=3 265 B8R0.1 CCCCC(CCC)Cl TS07522 [0,1,0,0,0,0|0,0,2]=3 266 B8R0.1 CCCCC(CCC)I TS26461 [0,1,0,0,0,0|0,0,2]=3 267 B8R0.1 CCCCC(CCC)O TS36547 [0,1,0,0,0,0|0,0,2]=3 268 B8R0.1 CCCCN(C)CCN TS05610 [0,1,0,0,0,0|2,0,1]=4 269 B8R0.1 CCCC[C@@H](C)CCO TS36538 [0,1,0,0,0,0|1,0,1]=3 270 B8R0.1 CCOC(=O)CCC=C TS05344 [0,1,0,0,0,0|1,0,1]=3 271 B8R0.1 CCOC(=O)CCC=O TS94704 [0,1,0,0,0,0|2,0,1]=4 272 B8R0.1 CCOC(=O)OCC=C TS05516 [0,1,0,0,0,0|2,0,1]=4 273 B8R0.4 C#CCCCCCC#C TS04830 [0,1,0,0,0,0|0,0,3]=4 274 B8R0.4 C#CCCCCCCO TS05177 [0,1,0,0,0,0|0,0,2]=3 275 B8R0.4 C(CCC#N)CCC#N TS32512 [0,1,0,0,0,0|1,0,2]=4 276 B8R0.4 C(CCCBr)CCC#N TS51024 [0,1,0,0,0,0|1,0,1]=3 277 B8R0.4 C(CCCBr)CCCBr TS68070 [0,1,0,0,0,0|1,0,1]=3 278 B8R0.4 C(CCCCl)CCC#N TS07151 [0,1,0,0,0,0|1,0,1]=3 279 B8R0.4 C(CCCCl)CCCCl TS44969 [0,1,0,0,0,0|1,0,1]=3 280 B8R0.4 C(CCCN)CCCN TS05605 [0,1,0,0,0,0|1,0,1]=3 281 B8R0.4 C(CCCN)CCCO TS36619 [0,1,0,0,0,0|1,0,1]=3 282 B8R0.4 C(CCCO)CCCBr TS55654 [0,1,0,0,0,0|1,0,1]=3 283 B8R0.4 C(CCCO)CCCO TS36690 [0,1,0,0,0,0|1,0,1]=3 284 B8R0.4 C(CCC[Zn+])CCC#N TS67764 [0,1,0,0,0,0|1,0,1]=3 285 B8R0.4 C(CCNCCO)CN TS36704 [0,1,0,0,0,0|2,0,1]=4 286 B8R0.4 C(CC[Mg]Br)CC[Mg]Br TS34062 [0,1,0,0,0,0|3,0,0]=4 287 B8R0.4 C(CN)CNCCCN TS36625 [0,1,0,0,0,0|2,0,1]=4 288 B8R0.4 C(CN)COCCCN TS36713 [0,1,0,0,0,0|2,0,1]=4 289 B8R0.4 C(CNCCCO)CO TS02184 [0,1,0,0,0,0|2,0,1]=4 290 B8R0.4 C(CO)CSCCCO TS09957 [0,1,0,0,0,0|2,0,1]=4 291 B8R0.4 C=CCCCC=CCO TS05204 [0,1,0,0,0,0|0,0,2]=3 292 B8R0.4 C=CCCCCCC=C TS05042 [0,1,0,0,0,0|0,0,1]=2 293 B8R0.4 C=CCCCCCCBr TS01315 [0,1,0,0,0,0|0,0,0]=1 294 B8R0.4 C=CCCCCCCO TS05382 [0,1,0,0,0,0|0,0,0]=1 295 B8R0.4 C=COCCOCCO TS05733 [0,1,0,0,0,0|2,0,0]=3 296 B8R0.4 CC=CCCCC=CC TS05044 [0,1,0,0,0,0|0,0,2]=3 297 B8R0.4 CCC=CCCCCO TS36323 [0,1,0,0,0,0|1,0,2]=4 298 B8R0.4 CCC=CCCOC=O TS05352 [0,1,0,0,0,0|1,0,2]=4 299 B8R0.4 CCCC#CCCCCl TS07053 [0,1,0,0,0,0|1,0,2]=4 300 B8R0.4 CCCC=CC=CC=O TS36011 [0,1,0,0,0,0|0,0,3]=4 301 B8R0.4 CCCC=CCOC=O TS05336 [0,1,0,0,0,0|1,0,2]=4 302 B8R0.4 CCCCC#CCC=C TS04924 [0,1,0,0,0,0|0,0,1]=2 303 B8R0.4 CCCCC#CCCC TS05048 [0,1,0,0,0,0|0,0,3]=4 304 B8R0.4 CCCCC#CCCO TS36147 [0,1,0,0,0,0|1,0,2]=4 305 B8R0.4 CCCCC=CC=CC TS05047 [0,1,0,0,0,0|0,0,2]=3 306 B8R0.4 CCCCC=CCCC TS05206 [0,1,0,0,0,0|0,0,3]=4 307 B8R0.4 CCCCC=CCCO TS36327 [0,1,0,0,0,0|1,0,2]=4 308 B8R0.4 CCCCCC#CC=C TS32531 [0,1,0,0,0,0|0,0,1]=2 309 B8R0.4 CCCCCC#CCBr TS50858 [0,1,0,0,0,0|0,0,3]=4 310 B8R0.4 CCCCCC#CCC TS05059 [0,1,0,0,0,0|0,0,3]=4 311 B8R0.4 CCCCCC#CCCl TS07054 [0,1,0,0,0,0|0,0,3]=4 312 B8R0.4 CCCCCC#CCO TS05190 [0,1,0,0,0,0|0,0,3]=4 313 B8R0.4 CCCCCC=CC=O TS36157 [0,1,0,0,0,0|0,0,1]=2 314 B8R0.4 CCCCCC=CCC TS36181 [0,1,0,0,0,0|0,0,2]=3 315 B8R0.4 CCCCCC=CCO TS05393 [0,1,0,0,0,0|0,0,2]=3 316 B8R0.4 CCCCCCC#CC TS05062 [0,1,0,0,0,0|0,0,2]=3 317 B8R0.4 CCCCCCC=CC TS05227 [0,1,0,0,0,0|0,0,0]=1 318 B8R0.4 CCCCCCC=NO TS36429 [0,1,0,0,0,0|1,0,0]=2 319 B8R0.4 CCCCCCCC#C TS05045 [0,1,0,0,0,0|0,0,2]=3 320 B8R0.4 CCCCCCCC#N TS05112 [0,1,0,0,0,0|0,0,2]=3 321 B8R0.4 CCCCCCCC=C TS05208 [0,1,0,0,0,0|0,0,0]=1 322 B8R0.4 CCCCCCCC=O TS05399 [0,1,0,0,0,0|0,0,1]=2 323 B8R0.4 CCCCCCCCBr TS00038 [0,1,0,0,0,0|0,0,2]=3 324 B8R0.4 CCCCCCCCC TS05427 [0,1,0,0,0,0|0,0,2]=3 325 B8R0.4 CCCCCCCCCl TS07517 [0,1,0,0,0,0|0,0,2]=3 326 B8R0.4 CCCCCCCCF TS05771 [0,1,0,0,0,0|0,0,2]=3 327 B8R0.4 CCCCCCCCN TS05489 [0,1,0,0,0,0|0,0,2]=3 328 B8R0.4 CCCCCCCCN TS12120 [0,1,0,0,0,0|0,0,2]=3 329 B8R0.4 CCCCCCCCN TS20855 [0,1,0,0,0,0|0,0,2]=3 330 B8R0.4 CCCCCCCCO TS36550 [0,1,0,0,0,0|0,0,2]=3 331 B8R0.4 CCCCCCCCS TS40481 [0,1,0,0,0,0|0,0,2]=3 332 B8R0.4 CCCCCCCC[Si] TS07042 [0,1,0,0,0,0|0,0,2]=3 333 B8R0.4 CCCCCCCNC TS05499 [0,1,0,0,0,0|0,0,2]=3 334 B8R0.4 CCCCCCN=C=O TS36237 [0,1,0,0,0,0|1,0,1]=3 335 B8R0.4 CCCCCCN=C=S TS06881 [0,1,0,0,0,0|1,0,1]=3 336 B8R0.4 CCCCCCNCC TS05500 [0,1,0,0,0,0|0,0,2]=3 337 B8R0.4 CCCCCCOC=O TS36508 [0,1,0,0,0,0|1,0,0]=2 338 B8R0.4 CCCCCCSCC TS40479 [0,1,0,0,0,0|0,0,2]=3 339 B8R0.4 CCCCCNCCO TS36622 [0,1,0,0,0,0|1,0,1]=3 340 B8R0.4 CCCCCOCC=C TS05379 [0,1,0,0,0,0|0,0,0]=1 341 B8R0.4 CCCCCOCCO TS36691 [0,1,0,0,0,0|1,0,1]=3 342 B8R0.4 CCCCNCCC#N TS36164 [0,1,0,0,0,0|1,0,1]=3 343 B8R0.4 CCCCNCCCC TS55846 [0,1,0,0,0,0|0,0,2]=3 344 B8R0.4 CCCCOCCC#N TS36235 [0,1,0,0,0,0|1,0,1]=3 345 B8R0.4 CCCCOCCCC TS05599 [0,1,0,0,0,0|0,0,2]=3 346 B8R0.4 CCCCOCCCN TS36614 [0,1,0,0,0,0|1,0,1]=3 347 B8R0.4 CCCCPCCCC TS40455 [0,1,0,0,0,0|0,0,2]=3 348 B8R0.4 CCCCSCCCC TS40480 [0,1,0,0,0,0|0,0,2]=3 349 B8R0.4 CCCC[GeH2]CCCC TS16104 [0,1,0,0,0,0|0,0,2]=3 350 B8R0.4 CCCC[Hg]CCCC TS76737 [0,1,0,0,0,0|0,0,2]=3 351 B8R0.4 CCCC[NH2+]CCCC TS49201 [0,1,0,0,0,0|0,0,2]=3 352 B8R0.4 CCCC[Sn+2]CCCC TS64754 [0,1,0,0,0,0|0,0,2]=3 353 B8R0.4 CCCC[Sn+2]CCCC TS78833 [0,1,0,0,0,0|0,0,2]=3 354 B8R0.4 CCCC[Sn+2]CCCC TS79757 [0,1,0,0,0,0|0,0,2]=3 355 B8R0.4 CCCC[Te]CCCC TS57621 [0,1,0,0,0,0|0,0,2]=3 356 B8R0.4 CCCC[Zn]CCCC TS14479 [0,1,0,0,0,0|0,0,2]=3 357 B8R0.4 CCCOCOCCC TS05761 [0,1,0,0,0,0|1,0,2]=4 358 B8R0.4 CCCSSSCC=C TS47985 [0,1,0,0,0,0|2,0,0]=3 359 B8R0.4 CCNCCCNCC TS05606 [0,1,0,0,0,0|1,0,2]=4 360 B8R0.4 CCOCCOCCO TS05898 [0,1,0,0,0,0|2,0,1]=4 361 B8R0.4 CNCCCCCCO TS36615 [0,1,0,0,0,0|1,0,1]=3 362 B8R0.4 COCCCCCOC TS36689 [0,1,0,0,0,0|1,0,1]=3 363 B8R0.4 COCCNCCOC TS05839 [0,1,0,0,0,0|2,0,1]=4 364 B8R0.4 COCCOCCCBr TS53805 [0,1,0,0,0,0|2,0,1]=4 365 B8R0.4 COCCOCCCN TS05831 [0,1,0,0,0,0|2,0,1]=4 366 B8R0.4 COCCOCCOC TS36825 [0,1,0,0,0,0|2,0,1]=4 367 B8R0.4 CSCCCCN=C=S TS11448 [0,1,0,0,0,0|2,0,1]=4 368 B8R0.4 [B+](CCCC)CCCC TS33566 [0,1,0,0,0,0|0,0,2]=3 369 B8R0.6 C(CCO)CC(CO)O TS05901 [0,1,0,0,0,0|2,0,1]=4 370 B8R0.6 C=CCOCC(CO)O TS05712 [0,1,0,0,0,0|2,0,0]=3 371 B8R0.6 CCC(C)CCCCO TS36535 [0,1,0,0,0,0|1,0,1]=3 372 B8R0.6 CCCCCC(=O)C=C TS05201 [0,1,0,0,0,0|0,0,1]=2 373 B8R0.6 CCCCCC(=O)CC TS36343 [0,1,0,0,0,0|0,0,3]=4 374 B8R0.6 CCCCCC(=O)NO TS05662 [0,1,0,0,0,0|2,0,1]=4 375 B8R0.6 CCCCCC(=O)OC TS36499 [0,1,0,0,0,0|1,0,2]=4 376 B8R0.6 CCCCCC(C#C)O TS05191 [0,1,0,0,0,0|0,0,2]=3 377 B8R0.6 CCCCCC(C)CC TS05415 [0,1,0,0,0,0|0,0,2]=3 378 B8R0.6 CCCCCC(C)CO TS36542 [0,1,0,0,0,0|1,0,1]=3 379 B8R0.6 CCCCCC(C=C)O TS36349 [0,1,0,0,0,0|0,0,0]=1 380 B8R0.6 CCCCCC(CC)Br TS51604 [0,1,0,0,0,0|0,0,2]=3 381 B8R0.6 CCCCCC(CC)Cl TS07523 [0,1,0,0,0,0|0,0,2]=3 382 B8R0.6 CCCCCC(CC)O TS36536 [0,1,0,0,0,0|0,0,2]=3 383 B8R0.6 CCCCCC(CO)O TS05756 [0,1,0,0,0,0|1,0,1]=3 384 B8R0.6 CCCCCN(C)N=O TS36525 [0,1,0,0,0,0|3,0,0]=4 385 B8R0.6 CCCCC[C@@H](C#C)O TS36148 [0,1,0,0,0,0|0,0,2]=3 386 B8R0.6 CCCCC[C@@H](C=C)O TS36348 [0,1,0,0,0,0|0,0,0]=1 387 B8R0.6 CCCCNC(=O)C=C TS05274 [0,1,0,0,0,0|1,0,1]=3 388 B8R0.6 CCCCOC(=O)C=C TS36291 [0,1,0,0,0,0|1,0,1]=3 389 B8R0.6 CCCCOC(=O)C=O TS36470 [0,1,0,0,0,0|2,0,1]=4 390 B8R0.6 CC[C@H](C)CCCCO TS05594 [0,1,0,0,0,0|1,0,1]=3 391 B8R0.6 COC(=O)CCCC=C TS36304 [0,1,0,0,0,0|1,0,1]=3 392 B8R0.6 COC(=O)CCCC=O TS85464 [0,1,0,0,0,0|2,0,1]=4 393 B8R0.6 COC(=O)CSCC=C TS40451 [0,1,0,0,0,0|2,0,1]=4 394 B8R0.6 COCCOC(=O)C=C TS05521 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.7 B(CCCCCC)(O)O TS32717 [0,1,0,0,0,0|2,0,0]=3 396 B8R0.7 C#CCCCCC(=O)O TS05162 [0,1,0,0,0,0|1,0,2]=4 397 B8R0.7 C(CCC(=O)Cl)CCBr TS21556 [0,1,0,0,0,0|2,0,0]=3 398 B8R0.7 C(CCC(=O)Cl)CCCl TS44963 [0,1,0,0,0,0|2,0,0]=3 399 B8R0.7 C(CCC(=O)N)CCBr TS17766 [0,1,0,0,0,0|2,0,0]=3 400 B8R0.7 C(CCC(=O)N)CCN TS93750 [0,1,0,0,0,0|2,0,0]=3 401 B8R0.7 C(CCC(=O)O)CCBr TS55559 [0,1,0,0,0,0|2,0,0]=3 402 B8R0.7 C(CCC(=O)O)CCCl TS09966 [0,1,0,0,0,0|2,0,0]=3 403 B8R0.7 C(CCC(=O)O)CCN TS33197 [0,1,0,0,0,0|2,0,0]=3 404 B8R0.7 C(CCC(=O)O)CCN TS94650 [0,1,0,0,0,0|2,0,0]=3 405 B8R0.7 C(CCC(=O)O)CCO TS55607 [0,1,0,0,0,0|2,0,0]=3 406 B8R0.7 C(CCCl)COC(=O)Cl TS12954 [0,1,0,0,0,0|3,0,0]=4 407 B8R0.7 C(CCNC(=N)N)CN TS02119 [0,1,0,0,0,0|3,0,0]=4 408 B8R0.7 C(CCNC(=N)N)CN TS05574 [0,1,0,0,0,0|3,0,0]=4 409 B8R0.7 C(CCON)CC(=O)O TS44444 [0,1,0,0,0,0|3,0,0]=4 410 B8R0.7 C=CCCCCC(=O)O TS36303 [0,1,0,0,0,0|1,0,1]=3 411 B8R0.7 C=CCOCCC(=O)O TS05525 [0,1,0,0,0,0|2,0,1]=4 412 B8R0.7 CC(=O)NCCCCN TS43167 [0,1,0,0,0,0|2,0,1]=4 413 B8R0.7 CC(=O)OCCCC=C TS05339 [0,1,0,0,0,0|1,0,1]=3 414 B8R0.7 CC(=O)OCCCCBr TS17993 [0,1,0,0,0,0|2,0,1]=4 415 B8R0.7 CC(=O)OCCCCI TS26787 [0,1,0,0,0,0|2,0,1]=4 416 B8R0.7 CC(=O)OCCCSC TS07491 [0,1,0,0,0,0|2,0,1]=4 417 B8R0.7 CC(C)CCCCCBr TS51602 [0,1,0,0,0,0|1,0,1]=3 418 B8R0.7 CC(C)CCCCCN TS05491 [0,1,0,0,0,0|1,0,1]=3 419 B8R0.7 CC(C)COCCCN TS36620 [0,1,0,0,0,0|2,0,1]=4 420 B8R0.7 CC(C)NCCCCO TS93789 [0,1,0,0,0,0|2,0,1]=4 421 B8R0.7 CC(C)OCCC[N+]#[C-] TS05282 [0,1,0,0,0,0|2,0,1]=4 422 B8R0.7 CCCC=CCC(=O)O TS36290 [0,1,0,0,0,0|1,0,2]=4 423 B8R0.7 CCCCC#CC(=C)C TS32534 [0,1,0,0,0,0|0,0,2]=3 424 B8R0.7 CCCCC#CC(=O)O TS36120 [0,1,0,0,0,0|1,0,2]=4 425 B8R0.7 CCCCC=CC(=O)C TS05179 [0,1,0,0,0,0|0,0,3]=4 426 B8R0.7 CCCCC=CC(=O)Cl TS07286 [0,1,0,0,0,0|1,0,2]=4 427 B8R0.7 CCCCC=CC(=O)O TS05335 [0,1,0,0,0,0|1,0,2]=4 428 B8R0.7 CCCCCCC(=O)C TS36325 [0,1,0,0,0,0|0,0,1]=2 429 B8R0.7 CCCCCCC(=O)Cl TS07515 [0,1,0,0,0,0|1,0,0]=2 430 B8R0.7 CCCCCCC(=O)N TS36432 [0,1,0,0,0,0|1,0,0]=2 431 B8R0.7 CCCCCCC(=O)O TS05558 [0,1,0,0,0,0|1,0,0]=2 432 B8R0.7 CCCCCCC(=O)[O-] TS10169 [0,1,0,0,0,0|1,0,0]=2 433 B8R0.7 CCCCCCC(C)Br TS51603 [0,1,0,0,0,0|0,0,2]=3 434 B8R0.7 CCCCCCC(C)C TS05423 [0,1,0,0,0,0|0,0,2]=3 435 B8R0.7 CCCCCCC(C)Cl TS07520 [0,1,0,0,0,0|0,0,2]=3 436 B8R0.7 CCCCCCC(C)I TS26460 [0,1,0,0,0,0|0,0,2]=3 437 B8R0.7 CCCCCCC(C)N TS05493 [0,1,0,0,0,0|0,0,2]=3 438 B8R0.7 CCCCCCC(C)O TS05590 [0,1,0,0,0,0|0,0,2]=3 439 B8R0.7 CCCCCCC(C)S TS40477 [0,1,0,0,0,0|0,0,2]=3 440 B8R0.7 CCCCCC[C@@H](C)N TS05497 [0,1,0,0,0,0|0,0,2]=3 441 B8R0.7 CCCCCC[C@@H](C)O TS05598 [0,1,0,0,0,0|0,0,2]=3 442 B8R0.7 CCCCCC[C@H](C)N TS05488 [0,1,0,0,0,0|0,0,2]=3 443 B8R0.7 CCCCCC[C@H](C)O TS46634 [0,1,0,0,0,0|0,0,2]=3 444 B8R0.7 CCCCCC[N+](=O)[O-] TS36590 [0,1,0,0,0,0|2,0,0]=3 445 B8R0.7 CCCCCC[SiH](Cl)Cl TS48718 [0,1,0,0,0,0|1,1,0]=3 446 B8R0.7 CCCCCOC(=O)C TS05568 [0,1,0,0,0,0|1,0,1]=3 447 B8R0.7 CCCCCOC(=O)Cl TS59753 [0,1,0,0,0,0|2,0,0]=3 448 B8R0.7 CCCCCON(=O)=O TS05817 [0,1,0,0,0,0|3,0,0]=4 449 B8R0.7 CCCCOCC(=O)O TS05720 [0,1,0,0,0,0|2,0,0]=3 450 B8R0.7 CCCCOCC(C)O TS05758 [0,1,0,0,0,0|1,0,2]=4 451 B8R0.7 CCOCCOC(=O)C TS05728 [0,1,0,0,0,0|2,0,1]=4 452 B8R0.7 CCOCCOC(=O)Cl TS10247 [0,1,0,0,0,0|3,0,0]=4 453 B8R0.7 COCCOCC(=O)O TS08222 [0,1,0,0,0,0|3,0,0]=4 454 B8R1.2 C#CC1CCCNC1 TS89660 [0,0,0,1,0,0|1,0,2]=4 455 B8R1.2 C#CC1CCCOC1 TS85837 [0,0,0,1,0,0|1,0,2]=4 456 B8R1.2 C#CC1CCNCC1 TS87859 [0,0,0,1,0,0|1,0,2]=4 457 B8R1.2 C#CC1CCOCC1 TS89052 [0,0,0,1,0,0|1,0,2]=4 458 B8R1.2 C#CC1CCSCC1 TS92849 [0,0,0,1,0,0|1,0,2]=4 459 B8R1.2 C1CC(CC=C1)C=O TS60200 [0,0,0,1,0,0|1,0,2]=4 460 B8R1.2 C1CC(CC=C1)CO TS31925 [0,0,0,1,0,0|1,0,2]=4 461 B8R1.2 C1CC(CC=C1)CO TS93417 [0,0,0,1,0,0|1,0,2]=4 462 B8R1.2 C1CC(CNC1)C#N TS00184 [0,0,0,1,0,0|2,0,1]=4 463 B8R1.2 C1CC(CNC1)C#N TS07292 [0,0,0,1,0,0|2,0,1]=4 464 B8R1.2 C1CC(CNC1)CO TS88392 [0,0,0,1,0,0|2,0,1]=4 465 B8R1.2 C1CC(COC1)C=O TS16821 [0,0,0,1,0,0|2,0,0]=3 466 B8R1.2 C1CC(COC1)CBr TS86643 [0,0,0,1,0,0|2,0,1]=4 467 B8R1.2 C1CC(COC1)CN TS46681 [0,0,0,1,0,0|2,0,1]=4 468 B8R1.2 C1CC(COC1)CO TS86137 [0,0,0,1,0,0|2,0,1]=4 469 B8R1.2 C1CC(OC=C1)CO TS04428 [0,0,0,1,0,0|2,0,1]=4 470 B8R1.2 C1CCC(=CC1)C=O TS31838 [0,0,0,1,0,0|1,0,2]=4 471 B8R1.2 C1CCC(=CC1)CBr TS90142 [0,0,0,1,0,0|1,0,2]=4 472 B8R1.2 C1CCC(=NO)CC1 TS04394 [0,0,0,1,0,0|2,0,1]=4 473 B8R1.2 C1CCC(CC1)C#N TS31808 [0,0,0,1,0,0|1,0,1]=3 474 B8R1.2 C1CCC(CC1)C#N TS40668 [0,0,0,1,0,0|1,0,1]=3 475 B8R1.2 C1CCC(CC1)C=O TS01404 [0,0,0,1,0,0|1,0,0]=2 476 B8R1.2 C1CCC(CC1)CBr TS46572 [0,0,0,1,0,0|1,0,1]=3 477 B8R1.2 C1CCC(CC1)CCl TS36740 [0,0,0,1,0,0|1,0,1]=3 478 B8R1.2 C1CCC(CC1)CN TS04402 [0,0,0,1,0,0|1,0,1]=3 479 B8R1.2 C1CCC(CC1)CO TS04473 [0,0,0,1,0,0|1,0,1]=3 480 B8R1.2 C1CCC(CC1)CS TS05617 [0,0,0,1,0,0|1,0,1]=3 481 B8R1.2 C1CCC(CC1)NO TS10098 [0,0,0,1,0,0|2,0,0]=3 482 B8R1.2 C1CCC(CC1)[Mg]Br TS50598 [0,0,0,1,0,0|2,0,0]=3 483 B8R1.2 C1CCC(CC1)[Mg]Cl TS06810 [0,0,0,1,0,0|2,0,0]=3 484 B8R1.2 C1CCN(CC1)C#N TS04210 [0,0,0,1,0,0|2,0,1]=4 485 B8R1.2 C1CCN(CC1)C=O TS56398 [0,0,0,1,0,0|2,0,0]=3 486 B8R1.2 C1CCN(CC1)CCl TS05849 [0,0,0,1,0,0|2,0,1]=4 487 B8R1.2 C1CCN(CC1)CO TS32161 [0,0,0,1,0,0|2,0,1]=4 488 B8R1.2 C1CCN(CC1)N=O TS01612 [0,0,0,1,0,0|3,0,0]=4 489 B8R1.2 C1CCNC(C1)C#N TS85344 [0,0,0,1,0,0|2,0,1]=4 490 B8R1.2 C1CCNC(C1)C=O TS04396 [0,0,0,1,0,0|2,0,0]=3 491 B8R1.2 C1CCNC(C1)CN TS02462 [0,0,0,1,0,0|2,0,1]=4 492 B8R1.2 C1CCNC(C1)CO TS02460 [0,0,0,1,0,0|2,0,1]=4 493 B8R1.2 C1CCOC(C1)CCl TS05953 [0,0,0,1,0,0|2,0,1]=4 494 B8R1.2 C1CCOC(C1)CN TS59436 [0,0,0,1,0,0|2,0,1]=4 495 B8R1.2 C1CCOC(C1)CN TS59437 [0,0,0,1,0,0|2,0,1]=4 496 B8R1.2 C1CCOC(C1)CO TS59577 [0,0,0,1,0,0|2,0,1]=4 497 B8R1.2 C1CCOC(C1)ON TS59328 [0,0,0,1,0,0|3,0,0]=4 498 B8R1.2 C1CN(CCN1)C=O TS00443 [0,0,0,1,0,0|3,0,0]=4 499 B8R1.2 C1CNCCC1C#N TS03067 [0,0,0,1,0,0|2,0,1]=4 500 B8R1.2 C1CNCCC1C#N TS07290 [0,0,0,1,0,0|2,0,1]=4 501 B8R1.2 C1CNCCC1C=O TS59355 [0,0,0,1,0,0|2,0,0]=3 502 B8R1.2 C1CNCCC1CF TS86720 [0,0,0,1,0,0|2,0,1]=4 503 B8R1.2 C1CNCCC1CN TS16890 [0,0,0,1,0,0|2,0,1]=4 504 B8R1.2 C1CNCCC1CO TS85529 [0,0,0,1,0,0|2,0,1]=4 505 B8R1.2 C1COCCC1C#N TS16666 [0,0,0,1,0,0|2,0,1]=4 506 B8R1.2 C1COCCC1C=O TS59439 [0,0,0,1,0,0|2,0,0]=3 507 B8R1.2 C1COCCC1CBr TS16902 [0,0,0,1,0,0|2,0,1]=4 508 B8R1.2 C1COCCC1CI TS24100 [0,0,0,1,0,0|2,0,1]=4 509 B8R1.2 C1COCCC1CN TS03003 [0,0,0,1,0,0|2,0,1]=4 510 B8R1.2 C1COCCC1CN TS07685 [0,0,0,1,0,0|2,0,1]=4 511 B8R1.2 C1COCCC1CO TS59440 [0,0,0,1,0,0|2,0,1]=4 512 B8R1.2 C1COCCC1NN TS41226 [0,0,0,1,0,0|3,0,0]=4 513 B8R1.2 C1COCCC1NN TS87156 [0,0,0,1,0,0|3,0,0]=4 514 B8R1.2 C1COCCN1C=O TS34591 [0,0,0,1,0,0|3,0,0]=4 515 B8R1.2 C1CSCCC1C#N TS90376 [0,0,0,1,0,0|2,0,1]=4 516 B8R1.2 C1CSCCC1CN TS91963 [0,0,0,1,0,0|2,0,1]=4 517 B8R1.2 C1CSCCC1CO TS90016 [0,0,0,1,0,0|2,0,1]=4 518 B8R1.2 C1C[C@@H](CNC1)C#N TS92391 [0,0,0,1,0,0|2,0,1]=4 519 B8R1.2 C1C[C@@H](CNC1)CO TS46642 [0,0,0,1,0,0|2,0,1]=4 520 B8R1.2 C1C[C@H](CNC1)C#N TS92378 [0,0,0,1,0,0|2,0,1]=4 521 B8R1.2 C1C[C@H](CNC1)CO TS46591 [0,0,0,1,0,0|2,0,1]=4 522 B8R1.2 CCC1=CCCCC1 TS31842 [0,0,0,1,0,0|0,0,2]=3 523 B8R1.2 CCC1CCCCC1 TS04342 [0,0,0,1,0,0|0,0,2]=3 524 B8R1.2 CCC1CCCCN1 TS04398 [0,0,0,1,0,0|1,0,1]=3 525 B8R1.2 CCC1CNCCN1 TS55315 [0,0,0,1,0,0|2,0,1]=4 526 B8R1.2 CCN1CCCCC1 TS00439 [0,0,0,1,0,0|1,0,2]=4 527 B8R1.2 CCN1CCCCC1 TS32031 [0,0,0,1,0,0|1,0,2]=4 528 B8R1.2 CC[C@@H]1CNCCN1 TS04491 [0,0,0,1,0,0|2,0,1]=4 529 B8R1.2 CC[C@@H]1CNCCN1 TS49029 [0,0,0,1,0,0|2,0,1]=4 530 B8R1.2 CNC1CCC=CO1 TS32011 [0,0,0,1,0,0|2,0,1]=4 531 B8R1.2 CNC1CCCCC1 TS08095 [0,0,0,1,0,0|1,0,1]=3 532 B8R1.2 CNC1CCCNC1 TS77173 [0,0,0,1,0,0|2,0,1]=4 533 B8R1.2 CNC1CCOCC1 TS01608 [0,0,0,1,0,0|2,0,1]=4 534 B8R1.2 CNC1CCOCC1 TS41077 [0,0,0,1,0,0|2,0,1]=4 535 B8R1.2 COC1=CCCCC1 TS04308 [0,0,0,1,0,0|1,0,2]=4 536 B8R1.2 COC1CCC=CO1 TS04445 [0,0,0,1,0,0|2,0,1]=4 537 B8R1.2 COC1CCCC=C1 TS31935 [0,0,0,1,0,0|1,0,0]=2 538 B8R1.2 COC1CCCCC1 TS32092 [0,0,0,1,0,0|1,0,1]=3 539 B8R1.2 COC1CCCNC1 TS86602 [0,0,0,1,0,0|2,0,1]=4 540 B8R1.2 COC1CCNCC1 TS03162 [0,0,0,1,0,0|2,0,1]=4 541 B8R1.2 COC1CCNCC1 TS10095 [0,0,0,1,0,0|2,0,1]=4 542 B8R1.2 CO[C@@H]1CCCNC1 TS90956 [0,0,0,1,0,0|2,0,1]=4 543 B8R1.2 CO[C@@H]1CCCNC1 TS90967 [0,0,0,1,0,0|2,0,1]=4 544 B8R1.2 CO[C@H]1CCCNC1 TS86418 [0,0,0,1,0,0|2,0,1]=4 545 B8R1.2 CO[C@H]1CCCNC1 TS90968 [0,0,0,1,0,0|2,0,1]=4 546 B8R1.2 CSC1CCCCC1 TS05616 [0,0,0,1,0,0|1,0,1]=3 547 B8R1.2 CSC1CCNCC1 TS88660 [0,0,0,1,0,0|2,0,1]=4 548 B8R1.2 [C-]#[N+]C1CCCCC1 TS34562 [0,0,0,1,0,0|1,0,1]=3 549 B8R1.5 C1CC(C(=O)NC1)N TS39701 [0,0,0,1,0,0|3,0,0]=4 550 B8R1.5 C1CC(C(=O)NC1)O TS02789 [0,0,0,1,0,0|3,0,0]=4 551 B8R1.5 C1CCC(=O)C(=O)C1 TS46777 [0,0,0,1,0,0|2,0,1]=4 552 B8R1.5 C1CCC(=O)C(C1)Br TS55160 [0,0,0,1,0,0|2,0,0]=3 553 B8R1.5 C1CCC(=O)C(C1)Cl TS36731 [0,0,0,1,0,0|2,0,0]=3 554 B8R1.5 C1CCC(=O)C(C1)O TS32072 [0,0,0,1,0,0|2,0,0]=3 555 B8R1.5 C1CCC(C(C1)Br)Br TS26769 [0,0,0,1,0,0|2,0,1]=4 556 B8R1.5 C1CCC(C(C1)F)Br TS48027 [0,0,0,1,0,0|2,0,1]=4 557 B8R1.5 C1CCC(C(C1)N)N TS21352 [0,0,0,1,0,0|2,0,1]=4 558 B8R1.5 C1CCC(C(C1)N)N TS67173 [0,0,0,1,0,0|2,0,1]=4 559 B8R1.5 C1CCC(C(C1)O)Cl TS05949 [0,0,0,1,0,0|2,0,1]=4 560 B8R1.5 C1CCC(C(C1)O)O TS32216 [0,0,0,1,0,0|2,0,1]=4 561 B8R1.5 C1CCN(C(=O)C1)N TS32084 [0,0,0,1,0,0|3,0,0]=4 562 B8R1.5 C1CC[C@@H]([C@@H](C1)Cl)Cl TS10277 [0,0,0,1,0,0|2,0,1]=4 563 B8R1.5 C1CC[C@@H]([C@@H](C1)N)N TS04490 [0,0,0,1,0,0|2,0,1]=4 564 B8R1.5 C1CC[C@@H]([C@@H](C1)O)O TS32224 [0,0,0,1,0,0|2,0,1]=4 565 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS07988 [0,0,0,1,0,0|2,0,1]=4 566 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS22908 [0,0,0,1,0,0|2,0,1]=4 567 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS93093 [0,0,0,1,0,0|2,0,1]=4 568 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS10097 [0,0,0,1,0,0|2,0,1]=4 569 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS32157 [0,0,0,1,0,0|2,0,1]=4 570 B8R1.5 C1CC[C@H]([C@@H](C1)Br)Br TS26767 [0,0,0,1,0,0|2,0,1]=4 571 B8R1.5 C1CC[C@H]([C@@H](C1)Cl)Cl TS10275 [0,0,0,1,0,0|2,0,1]=4 572 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS01623 [0,0,0,1,0,0|2,0,1]=4 573 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS09980 [0,0,0,1,0,0|2,0,1]=4 574 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS93516 [0,0,0,1,0,0|2,0,1]=4 575 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS93952 [0,0,0,1,0,0|2,0,1]=4 576 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS22861 [0,0,0,1,0,0|2,0,1]=4 577 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS41076 [0,0,0,1,0,0|2,0,1]=4 578 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS46605 [0,0,0,1,0,0|2,0,1]=4 579 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS94619 [0,0,0,1,0,0|2,0,1]=4 580 B8R1.5 C1CC[C@H]([C@@H](C1)O)O TS32205 [0,0,0,1,0,0|2,0,1]=4 581 B8R1.5 C1CC[C@H]([C@H](C1)N)O TS29487 [0,0,0,1,0,0|2,0,1]=4 582 B8R1.5 C1CNCC(C1=O)Br TS60337 [0,0,0,1,0,0|3,0,0]=4 583 B8R1.5 C1CNCC(C1=O)F TS88150 [0,0,0,1,0,0|3,0,0]=4 584 B8R1.5 C1COCC(C1=O)Br TS87523 [0,0,0,1,0,0|3,0,0]=4 585 B8R1.5 C1COCC(C1=O)F TS90072 [0,0,0,1,0,0|3,0,0]=4 586 B8R1.5 C1C[C@@H](C(=O)NC1)N TS46661 [0,0,0,1,0,0|3,0,0]=4 587 B8R1.5 C1C[C@H](C(=O)NC1)N TS32081 [0,0,0,1,0,0|3,0,0]=4 588 B8R1.5 CC1=C(CCCC1)C TS31858 [0,0,0,1,0,0|0,0,2]=3 589 B8R1.5 CC1=CCCCC1=O TS31839 [0,0,0,1,0,0|1,0,2]=4 590 B8R1.5 CC1=NCCCN1C TS04326 [0,0,0,1,0,0|2,0,1]=4 591 B8R1.5 CC1CCCC=C1C TS31849 [0,0,0,1,0,0|0,0,2]=3 592 B8R1.5 CC1CCCCC1=C TS31851 [0,0,0,1,0,0|0,0,0]=1 593 B8R1.5 CC1CCCCC1=O TS01136 [0,0,0,1,0,0|1,0,0]=2 594 B8R1.5 CC1CCCCC1C TS31973 [0,0,0,1,0,0|0,0,2]=3 595 B8R1.5 CC1CCCCC1N TS32030 [0,0,0,1,0,0|1,0,1]=3 596 B8R1.5 CC1CCCCC1O TS32109 [0,0,0,1,0,0|1,0,1]=3 597 B8R1.5 CC1CCCNC1C TS22984 [0,0,0,1,0,0|1,0,2]=4 598 B8R1.5 CC1CCNCC1=O TS92225 [0,0,0,1,0,0|2,0,0]=3 599 B8R1.5 CC1CCNCC1O TS92278 [0,0,0,1,0,0|2,0,1]=4 600 B8R1.5 CC1CNCCC1=O TS02832 [0,0,0,1,0,0|2,0,0]=3 601 B8R1.5 CC1CNCCC1=O TS70671 [0,0,0,1,0,0|2,0,0]=3 602 B8R1.5 CC1CNCCC1O TS03118 [0,0,0,1,0,0|2,0,1]=4 603 B8R1.5 CC1CNCCN1C TS00350 [0,0,0,1,0,0|2,0,1]=4 604 B8R1.5 CC1COCCC1=O TS89718 [0,0,0,1,0,0|2,0,0]=3 605 B8R1.5 CN1CCCCC1=O TS04393 [0,0,0,1,0,0|2,0,0]=3 606 B8R1.5 CN1CCNCC1=O TS89214 [0,0,0,1,0,0|3,0,0]=4 607 B8R1.5 C[C@@H]1CCCC[C@@H]1C TS31965 [0,0,0,1,0,0|0,0,2]=3 608 B8R1.5 C[C@@H]1CCCC[C@H]1N TS04400 [0,0,0,1,0,0|1,0,1]=3 609 B8R1.5 C[C@@H]1CCCC[C@H]1O TS32106 [0,0,0,1,0,0|1,0,1]=3 610 B8R1.5 C[C@@H]1CCNC[C@@H]1O TS92055 [0,0,0,1,0,0|2,0,1]=4 611 B8R1.5 C[C@@H]1CCNC[C@H]1O TS85847 [0,0,0,1,0,0|2,0,1]=4 612 B8R1.5 C[C@@H]1CCNC[C@H]1O TS92197 [0,0,0,1,0,0|2,0,1]=4 613 B8R1.5 C[C@@H]1COCC[C@@H]1N TS87953 [0,0,0,1,0,0|2,0,1]=4 614 B8R1.5 C[C@@H]1COCC[C@H]1N TS90201 [0,0,0,1,0,0|2,0,1]=4 615 B8R1.5 C[C@H]1CCCC[C@H]1O TS32115 [0,0,0,1,0,0|1,0,1]=3 616 B8R1.5 C[C@H]1CCNC[C@H]1O TS92848 [0,0,0,1,0,0|2,0,1]=4 617 B8R1.8 C#CCC1CCCC1 TS04146 [0,0,0,1,0,0|0,0,2]=3 618 B8R1.8 C1CC(NC1)CCO TS91871 [0,0,0,1,0,0|2,0,1]=4 619 B8R1.8 C1CCC(C1)CCN TS00978 [0,0,0,1,0,0|1,0,1]=3 620 B8R1.8 C1CCC(C1)CCO TS04478 [0,0,0,1,0,0|1,0,1]=3 621 B8R1.8 C1CCC(C1)N=C=O TS59760 [0,0,0,1,0,0|2,0,1]=4 622 B8R1.8 C1CCC(C1)N=C=S TS36250 [0,0,0,1,0,0|2,0,1]=4 623 B8R1.8 C1CCN(C1)CC#N TS04203 [0,0,0,1,0,0|2,0,1]=4 624 B8R1.8 C1CCN(C1)CCBr TS46380 [0,0,0,1,0,0|2,0,1]=4 625 B8R1.8 C1CCN(C1)CCN TS32117 [0,0,0,1,0,0|2,0,1]=4 626 B8R1.8 C1CCN(C1)CCO TS32173 [0,0,0,1,0,0|2,0,1]=4 627 B8R1.8 C1CNCC1CCO TS88089 [0,0,0,1,0,0|2,0,1]=4 628 B8R1.8 CCCC1CCCC1 TS31955 [0,0,0,1,0,0|0,0,2]=3 629 B8R1.8 CCCC1CCCC1 TS57165 [0,0,0,1,0,0|0,0,2]=3 630 B8R1.8 CCCC1CCCC1 TS67057 [0,0,0,1,0,0|0,0,2]=3 631 B8R1.8 CCCC1CCCC1 TS69588 [0,0,0,1,0,0|0,0,2]=3 632 B8R1.8 CCCC1CCCC1 TS69915 [0,0,0,1,0,0|0,0,2]=3 633 B8R1.8 CCCC1CCCC1 TS72093 [0,0,0,1,0,0|0,0,2]=3 634 B8R1.8 CCCC1CCCC1 TS72534 [0,0,0,1,0,0|0,0,2]=3 635 B8R1.8 CCCC1CCCC1 TS81524 [0,0,0,1,0,0|0,0,2]=3 636 B8R1.8 CCCC1CCCC1 TS82572 [0,0,0,1,0,0|0,0,2]=3 637 B8R1.8 CCCC1CCCC1 TS82652 [0,0,0,1,0,0|0,0,2]=3 638 B8R1.8 CCCc1ccco1 TS31836 [0,0,0,1,0,0|1,0,2]=4 639 B8R1.8 CCCc1cccs1 TS36171 [0,0,0,1,0,0|1,0,2]=4 640 B8R1.8 CCCc1ccsc1 TS36172 [0,0,0,1,0,0|1,0,2]=4 641 B8R1.8 CCCn1ccnc1 TS04208 [0,0,0,1,0,0|2,0,1]=4 642 B8R1.8 CCNC1CCNC1 TS04484 [0,0,0,1,0,0|2,0,1]=4 643 B8R1.8 CCN[C@@H]1CCNC1 TS04494 [0,0,0,1,0,0|2,0,1]=4 644 B8R1.8 CCN[C@H]1CCNC1 TS04485 [0,0,0,1,0,0|2,0,1]=4 645 B8R1.8 CCOC1CCCO1 TS04591 [0,0,0,1,0,0|2,0,1]=4 646 B8R1.8 CCO[C@@H]1CCNC1 TS85740 [0,0,0,1,0,0|2,0,1]=4 647 B8R1.8 CCO[C@H]1CCNC1 TS90259 [0,0,0,1,0,0|2,0,1]=4 648 B8R1.8 CNCC1CCCO1 TS32151 [0,0,0,1,0,0|2,0,1]=4 649 B8R1.8 COCC1CCCN1 TS32164 [0,0,0,1,0,0|2,0,1]=4 650 B8R1.8 COCC1CCCO1 TS04584 [0,0,0,1,0,0|2,0,1]=4 651 B8R1.8 COCC1CCNC1 TS87730 [0,0,0,1,0,0|2,0,1]=4 652 B8R1.8 COC[C@@H]1CCCN1 TS32165 [0,0,0,1,0,0|2,0,1]=4 653 B8R1.8 COC[C@@H]1CCNC1 TS91884 [0,0,0,1,0,0|2,0,1]=4 654 B8R1.8 COC[C@H]1CCCN1 TS32345 [0,0,0,1,0,0|2,0,1]=4 655 B8R1.8 COC[C@H]1CCNC1 TS91991 [0,0,0,1,0,0|2,0,1]=4 656 B8R1.10 CCCNC1COC1 TS32160 [0,0,0,1,0,0|2,0,1]=4 657 B8R1.10 CCCOC1CNC1 TS41075 [0,0,0,1,0,0|2,0,1]=4 658 B8R1.11 C1CC(=O)N(C1)CO TS04519 [0,0,0,1,0,0|3,0,0]=4 659 B8R1.11 C1CC(C(=O)C1)C#N TS64878 [0,0,0,1,0,0|2,0,1]=4 660 B8R1.11 C=CN1CCCC1=O TS04250 [0,0,0,1,0,0|2,0,1]=4 661 B8R1.11 CCC1=C(CCC1)C TS04224 [0,0,0,1,0,0|0,0,2]=3 662 B8R1.11 CCC1CCCC1=O TS31928 [0,0,0,1,0,0|1,0,0]=2 663 B8R1.11 CCC1CCCC1C TS67055 [0,0,0,1,0,0|0,0,2]=3 664 B8R1.11 CCN1CCCC1=O TS32015 [0,0,0,1,0,0|2,0,0]=3 665 B8R1.11 CN1CCCC1CO TS46985 [0,0,0,1,0,0|2,0,1]=4 666 B8R1.11 CN1CCC[C@@H]1CN TS88307 [0,0,0,1,0,0|2,0,1]=4 667 B8R1.11 CN1CCC[C@@H]1CO TS87350 [0,0,0,1,0,0|2,0,1]=4 668 B8R1.11 CN1CCC[C@H]1CN TS91663 [0,0,0,1,0,0|2,0,1]=4 669 B8R1.11 CN1CCC[C@H]1CO TS18151 [0,0,0,1,0,0|2,0,1]=4 670 B8R1.11 C[C@@H]1CNC[C@H]1CO TS32158 [0,0,0,1,0,0|2,0,1]=4 671 B8R1.12 C1C[C@H]([C@@H]1CN)CN TS80941 [0,0,0,1,0,0|2,0,1]=4 672 B8R1.17 CCC1C(N1)OC=O TS04531 [0,0,0,1,0,0|3,0,0]=4 673 B8R1.22 C1CC(=O)CCC=C1 TS04197 [0,0,0,1,0,0|1,0,2]=4 674 B8R1.22 C1CC(=O)CCNC1 TS89498 [0,0,0,1,0,0|2,0,0]=3 675 B8R1.22 C1CC(CCNC1)F TS91335 [0,0,0,1,0,0|2,0,1]=4 676 B8R1.22 C1CC(CCNC1)N TS04492 [0,0,0,1,0,0|2,0,1]=4 677 B8R1.22 C1CC(CCNC1)O TS01362 [0,0,0,1,0,0|2,0,1]=4 678 B8R1.22 C1CCC(=O)C=CC1 TS01401 [0,0,0,1,0,0|1,0,1]=3 679 B8R1.22 C1CCC(=O)NCC1 TS04386 [0,0,0,1,0,0|2,0,0]=3 680 B8R1.22 C1CCC(=O)NCC1 TS49157 [0,0,0,1,0,0|2,0,0]=3 681 B8R1.22 C1CCC(=O)OCC1 TS59735 [0,0,0,1,0,0|2,0,0]=3 682 B8R1.22 C1CCC(=S)NCC1 TS05487 [0,0,0,1,0,0|2,0,0]=3 683 B8R1.22 C1CCCC(=O)CC1 TS31926 [0,0,0,1,0,0|1,0,0]=2 684 B8R1.22 C1CCCC(CC1)Br TS46223 [0,0,0,1,0,0|1,0,1]=3 685 B8R1.22 C1CCCC(CC1)Cl TS36739 [0,0,0,1,0,0|1,0,1]=3 686 B8R1.22 C1CCCC(CC1)N TS04399 [0,0,0,1,0,0|1,0,1]=3 687 B8R1.22 C1CCCC(CC1)O TS04470 [0,0,0,1,0,0|1,0,1]=3 688 B8R1.22 C1CCCN(CC1)N TS04497 [0,0,0,1,0,0|2,0,0]=3 689 B8R1.22 C1CCNC(=S)NC1 TS05580 [0,0,0,1,0,0|3,0,0]=4 690 B8R1.22 C1CCNCC(C1)N TS07845 [0,0,0,1,0,0|2,0,1]=4 691 B8R1.22 C1CNCC(=O)NC1 TS32078 [0,0,0,1,0,0|3,0,0]=4 692 B8R1.22 C1COCC(=O)CO1 TS32190 [0,0,0,1,0,0|3,0,0]=4 693 B8R1.22 C1COCCNC1=O TS04534 [0,0,0,1,0,0|3,0,0]=4 694 B8R1.22 C=C1OCCCCO1 TS04434 [0,0,0,1,0,0|2,0,0]=3 695 B8R1.22 CC1=CCCCCC1 TS04216 [0,0,0,1,0,0|0,0,2]=3 696 B8R1.22 CC1CCCCCC1 TS04339 [0,0,0,1,0,0|0,0,2]=3 697 B8R1.22 CC1OCCCCO1 TS32214 [0,0,0,1,0,0|2,0,1]=4 698 B8R1.22 CN1CCCCCC1 TS32032 [0,0,0,1,0,0|1,0,1]=3 699 B8R1.22 CN1CCCNCC1 TS00463 [0,0,0,1,0,0|2,0,1]=4 700 B8R1.36 C1C(O1)CCCCBr TS33001 [0,0,0,1,0,0|2,0,1]=4 701 B8R1.36 C1CC1NCCC#N TS04202 [0,0,0,1,0,0|2,0,1]=4 702 B8R1.36 C=CCOCC1CO1 TS04426 [0,0,0,1,0,0|2,0,0]=3 703 B8R1.36 CCCCCC1CO1 TS04480 [0,0,0,1,0,0|1,0,1]=3 704 B8R1.36 CCCCC[C@@H]1CO1 TS32099 [0,0,0,1,0,0|1,0,1]=3 705 B8R1.36 CCCNCC1CC1 TS32029 [0,0,0,1,0,0|1,0,2]=4 706 B8R1.36 CCCOCC1CO1 TS32209 [0,0,0,1,0,0|2,0,1]=4 707 B8R1.49 C1CC=CCCC=C1 TS01896 [0,0,0,1,0,0|0,0,2]=3 708 B8R1.49 C1CC=CCCC=C1 TS34179 [0,0,0,1,0,0|0,0,2]=3 709 B8R1.49 C1CC=CCCC=C1 TS54864 [0,0,0,1,0,0|0,0,2]=3 710 B8R1.49 C1CC=CCCC=C1 TS63838 [0,0,0,1,0,0|0,0,2]=3 711 B8R1.49 C1CC=CCCC=C1 TS72200 [0,0,0,1,0,0|0,0,2]=3 712 B8R1.49 C1CC=CCCC=C1 TS80341 [0,0,0,1,0,0|0,0,2]=3 713 B8R1.49 C1CC=CCCC=C1 TS81264 [0,0,0,1,0,0|0,0,2]=3 714 B8R1.49 C1CC=CCCC=C1 TS83164 [0,0,0,1,0,0|0,0,2]=3 715 B8R1.49 C1CCCCCCC1 TS04358 [0,0,0,1,0,0|0,0,2]=3 716 B8R1.49 C1CCCNCCC1 TS32033 [0,0,0,1,0,0|1,0,1]=3 717 B5R0.2 C(CCBr)CBr TS07886 [2,0,0,0,0,0|2,0,0]=4 718 B5R0.2 C(CCBr)CCl TS45376 [2,0,0,0,0,0|2,0,0]=4 719 B5R0.2 C(CCBr)CF TS10539 [2,0,0,0,0,0|2,0,0]=4 720 B5R0.2 C(CCBr)CO TS39737 [2,0,0,0,0,0|2,0,0]=4 721 B5R0.2 C(CCCl)CCl TS36204 [2,0,0,0,0,0|2,0,0]=4 722 B5R0.2 C(CCCl)CO TS33155 [2,0,0,0,0,0|2,0,0]=4 723 B5R0.2 C(CCF)CF TS03666 [2,0,0,0,0,0|2,0,0]=4 724 B5R0.2 C(CCF)CO TS03655 [2,0,0,0,0,0|2,0,0]=4 725 B5R0.2 C(CCI)CCl TS49510 [2,0,0,0,0,0|2,0,0]=4 726 B5R0.2 C(CCI)CI TS76368 [2,0,0,0,0,0|2,0,0]=4 727 B5R0.2 C(CCO)CN TS03609 [2,0,0,0,0,0|2,0,0]=4 728 B5R0.2 C(CCO)CO TS00383 [2,0,0,0,0,0|2,0,0]=4 729 B5R0.2 C(CCS)CO TS04107 [2,0,0,0,0,0|2,0,0]=4 730 B5R0.2 C(CCS)CS TS04933 [2,0,0,0,0,0|2,0,0]=4 731 B5R0.2 C(CC[Zn+])CCl TS25983 [2,0,0,0,0,0|2,0,0]=4 732 B5R0.2 C=CCCC#N TS03446 [2,0,0,0,0,0|1,0,1]=4 733 B5R0.2 C=CCCC=C TS39876 [2,0,0,0,0,0|0,0,2]=4 734 B5R0.2 C=CCCC=O TS03486 [2,0,0,0,0,0|1,0,1]=4 735 B5R0.2 C=CCCCBr TS71399 [2,0,0,0,0,0|1,0,0]=3 736 B5R0.2 C=CCCCCl TS04057 [2,0,0,0,0,0|1,0,0]=3 737 B5R0.2 C=CCCCN TS03513 [2,0,0,0,0,0|1,0,0]=3 738 B5R0.2 C=CCCCN TS04880 [2,0,0,0,0,0|1,0,0]=3 739 B5R0.2 C=CCCCO TS33172 [2,0,0,0,0,0|1,0,0]=3 740 B5R0.2 C=CCCC[Zn+] TS44589 [2,0,0,0,0,0|1,0,0]=3 741 B5R0.2 C=CCC[Mg]Br TS42097 [2,0,0,0,0,0|2,0,0]=4 742 B5R0.2 C=COCCO TS03575 [2,0,0,0,0,0|2,0,0]=4 743 B5R0.2 CC#CCC=C TS71671 [2,0,0,0,0,0|0,0,2]=4 744 B5R0.2 CCC#CC=C TS71669 [2,0,0,0,0,0|0,0,2]=4 745 B5R0.2 CCC#CCC TS71689 [2,0,0,0,0,0|0,0,2]=4 746 B5R0.2 CCC=CC=C TS03467 [2,0,0,0,0,0|0,0,2]=4 747 B5R0.2 CCCC#CC TS71682 [2,0,0,0,0,0|0,0,2]=4 748 B5R0.2 CCCCC#C TS71687 [2,0,0,0,0,0|0,0,2]=4 749 B5R0.2 CCCCC#N TS71704 [2,0,0,0,0,0|1,0,1]=4 750 B5R0.2 CCCCC=C TS71713 [2,0,0,0,0,0|0,0,0]=2 751 B5R0.2 CCCCC=O TS71764 [2,0,0,0,0,0|1,0,0]=3 752 B5R0.2 CCCCCBr TS00039 [2,0,0,0,0,0|1,0,0]=3 753 B5R0.2 CCCCCCl TS31742 [2,0,0,0,0,0|1,0,0]=3 754 B5R0.2 CCCCCF TS71848 [2,0,0,0,0,0|1,0,0]=3 755 B5R0.2 CCCCCI TS18547 [2,0,0,0,0,0|1,0,0]=3 756 B5R0.2 CCCCCN TS71782 [2,0,0,0,0,0|1,0,0]=3 757 B5R0.2 CCCCCO TS46186 [2,0,0,0,0,0|1,0,0]=3 758 B5R0.2 CCCCCO TS71798 [2,0,0,0,0,0|1,0,0]=3 759 B5R0.2 CCCCCS TS31699 [2,0,0,0,0,0|1,0,0]=3 760 B5R0.2 CCCCC[Si] TS03986 [2,0,0,0,0,0|0,1,0]=3 761 B5R0.2 CCCCC[Zn+] TS49168 [2,0,0,0,0,0|1,0,0]=3 762 B5R0.2 CCCCNC TS71774 [2,0,0,0,0,0|1,0,0]=3 763 B5R0.2 CCCCNN TS14187 [2,0,0,0,0,0|2,0,0]=4 764 B5R0.2 CCCCNN TS36035 [2,0,0,0,0,0|2,0,0]=4 765 B5R0.2 CCCCON TS36085 [2,0,0,0,0,0|2,0,0]=4 766 B5R0.2 CCCCON TS93805 [2,0,0,0,0,0|2,0,0]=4 767 B5R0.2 CCCCSC TS31691 [2,0,0,0,0,0|1,0,0]=3 768 B5R0.2 CCCC[Mg]Br TS11455 [2,0,0,0,0,0|2,0,0]=4 769 B5R0.2 CCCC[Mg]Cl TS32260 [2,0,0,0,0,0|2,0,0]=4 770 B5R0.2 CCCC[N+]#[C-] TS71702 [2,0,0,0,0,0|1,0,1]=4 771 B5R0.2 CCCC[Sn]=O TS17583 [2,0,0,0,0,0|2,0,0]=4 772 B5R0.2 CCCNCC TS71783 [2,0,0,0,0,0|1,0,0]=3 773 B5R0.2 CCCOC=C TS29507 [2,0,0,0,0,0|1,0,0]=3 774 B5R0.2 CCCOC=O TS03584 [2,0,0,0,0,0|2,0,0]=4 775 B5R0.2 CCCOCC TS71799 [2,0,0,0,0,0|1,0,0]=3 776 B5R0.2 CCCOCCl TS04165 [2,0,0,0,0,0|2,0,0]=4 777 B5R0.2 CCCSCC TS31700 [2,0,0,0,0,0|1,0,0]=3 778 B5R0.2 CCCSSC TS04934 [2,0,0,0,0,0|2,0,0]=4 779 B5R0.2 CCN=NCC TS03539 [2,0,0,0,0,0|2,0,0]=4 780 B5R0.2 CCNCCN TS71809 [2,0,0,0,0,0|2,0,0]=4 781 B5R0.2 CCNCCO TS00085 [2,0,0,0,0,0|2,0,0]=4 782 B5R0.2 CCNNCC TS11360 [2,0,0,0,0,0|2,0,0]=4 783 B5R0.2 CCNNCC TS71806 [2,0,0,0,0,0|2,0,0]=4 784 B5R0.2 CCOCC=C TS71744 [2,0,0,0,0,0|1,0,0]=3 785 B5R0.2 CCOCCBr TS10269 [2,0,0,0,0,0|2,0,0]=4 786 B5R0.2 CCOCCCl TS04162 [2,0,0,0,0,0|2,0,0]=4 787 B5R0.2 CCOCCO TS71837 [2,0,0,0,0,0|2,0,0]=4 788 B5R0.2 CCSCC=C TS03981 [2,0,0,0,0,0|1,0,0]=3 789 B5R0.2 CCSCCBr TS44968 [2,0,0,0,0,0|2,0,0]=4 790 B5R0.2 CCSCCCl TS36036 [2,0,0,0,0,0|2,0,0]=4 791 B5R0.2 CCSCCN TS31712 [2,0,0,0,0,0|2,0,0]=4 792 B5R0.2 CCSCCN TS37539 [2,0,0,0,0,0|2,0,0]=4 793 B5R0.2 CCSCCO TS59769 [2,0,0,0,0,0|2,0,0]=4 794 B5R0.2 CCSSCC TS59782 [2,0,0,0,0,0|2,0,0]=4 795 B5R0.2 CC[Se][Se]CC TS44786 [2,0,0,0,0,0|2,0,0]=4 796 B5R0.2 CNCCCCl TS40140 [2,0,0,0,0,0|2,0,0]=4 797 B5R0.2 CNCCCN TS71808 [2,0,0,0,0,0|2,0,0]=4 798 B5R0.2 CNCCNC TS56355 [2,0,0,0,0,0|2,0,0]=4 799 B5R0.2 CNCCOC TS03607 [2,0,0,0,0,0|2,0,0]=4 800 B5R0.2 COCCCBr TS10272 [2,0,0,0,0,0|2,0,0]=4 801 B5R0.2 COCCCCl TS04163 [2,0,0,0,0,0|2,0,0]=4 802 B5R0.2 COCCCN TS03603 [2,0,0,0,0,0|2,0,0]=4 803 B5R0.2 COCCCO TS70643 [2,0,0,0,0,0|2,0,0]=4 804 B5R0.2 COCCOC TS07877 [2,0,0,0,0,0|2,0,0]=4 805 B5R0.2 CSCCCN TS65714 [2,0,0,0,0,0|2,0,0]=4 806 B5R0.2 CSCCCO TS04105 [2,0,0,0,0,0|2,0,0]=4 807 B5R0.2 CSSCC=C TS32437 [2,0,0,0,0,0|2,0,0]=4 808 B5R0.2 C[SiH2]CC[SiH2]C TS04760 [2,0,0,0,0,0|0,2,0]=4 809 B7R0.3 C(CC(CN)Cl)CCl TS17567 [1,1,0,0,0,0|2,0,0]=4 810 B7R0.3 C(CC(CO)O)CO TS32424 [1,1,0,0,0,0|2,0,0]=4 811 B7R0.3 C=CCCC(CBr)Br TS26768 [1,1,0,0,0,0|1,0,0]=3 812 B7R0.3 CC(CCCN)CN TS04630 [1,1,0,0,0,0|2,0,0]=4 813 B7R0.3 CC=CCC(C)C=C TS31844 [1,1,0,0,0,0|0,0,2]=4 814 B7R0.3 CCC(=CCC=C)C TS04221 [1,1,0,0,0,0|0,0,2]=4 815 B7R0.3 CCC(=O)OCC=C TS04450 [1,1,0,0,0,0|1,0,1]=4 816 B7R0.3 CCC(=S)OCC=C TS05577 [1,1,0,0,0,0|1,0,1]=4 817 B7R0.3 CCC(C)CC=CC TS31972 [1,1,0,0,0,0|0,0,2]=4 818 B7R0.3 CCC(C)SCC=C TS05618 [1,1,0,0,0,0|1,0,0]=3 819 B7R0.3 CCC(CCC=C)O TS32091 [1,1,0,0,0,0|0,0,0]=2 820 B7R0.3 CCCCC(=C)CC TS04366 [1,1,0,0,0,0|0,0,2]=4 821 B7R0.3 CCCCC(=CC)C TS04336 [1,1,0,0,0,0|0,0,2]=4 822 B7R0.3 CCCCC(=O)CC TS04462 [1,1,0,0,0,0|0,0,2]=4 823 B7R0.3 CCCCC(C#C)O TS31937 [1,1,0,0,0,0|0,0,2]=4 824 B7R0.3 CCCCC(C)CBr TS14345 [1,1,0,0,0,0|1,0,0]=3 825 B7R0.3 CCCCC(C)CC TS32121 [1,1,0,0,0,0|0,0,1]=3 826 B7R0.3 CCCCC(C)CO TS32251 [1,1,0,0,0,0|1,0,0]=3 827 B7R0.3 CCCCC(C=C)O TS04474 [1,1,0,0,0,0|0,0,0]=2 828 B7R0.3 CCCCC(CBr)Br TS85274 [1,1,0,0,0,0|1,0,0]=3 829 B7R0.3 CCCCC(CC)Br TS14340 [1,1,0,0,0,0|0,0,1]=3 830 B7R0.3 CCCCC(CC)N TS04554 [1,1,0,0,0,0|0,0,1]=3 831 B7R0.3 CCCCC(CC)O TS04628 [1,1,0,0,0,0|0,0,1]=3 832 B7R0.3 CCCCC(CCl)Cl TS10545 [1,1,0,0,0,0|1,0,0]=3 833 B7R0.3 CCCCC(CO)N TS32290 [1,1,0,0,0,0|1,0,0]=3 834 B7R0.3 CCCCC(CO)O TS32342 [1,1,0,0,0,0|1,0,0]=3 835 B7R0.3 CCCC[C@@H](CO)N TS32293 [1,1,0,0,0,0|1,0,0]=3 836 B7R0.3 CCCC[C@H](CO)N TS32292 [1,1,0,0,0,0|1,0,0]=3 837 B7R0.3 CCCNC(C)CC TS04555 [1,1,0,0,0,0|1,0,1]=4 838 B7R0.3 CCCOC(=O)C=C TS04429 [1,1,0,0,0,0|1,0,1]=4 839 B7R0.3 CCOCC(CO)O TS04807 [1,1,0,0,0,0|2,0,0]=4 840 B7R0.3 CCSCC(CO)O TS06111 [1,1,0,0,0,0|2,0,0]=4 841 B7R0.3 CC[C@H](C)CCCO TS04624 [1,1,0,0,0,0|1,0,0]=3 842 B7R0.3 CSCCC(CO)N TS06018 [1,1,0,0,0,0|2,0,0]=4 843 B7R0.3 CSCC[C@@H](CO)N TS07679 [1,1,0,0,0,0|2,0,0]=4 844 B7R0.3 CSCC[C@H](CO)N TS22806 [1,1,0,0,0,0|2,0,0]=4 845 B7R0.4 B(CCCCC)(O)O TS01615 [1,1,0,0,0,0|2,0,0]=4 846 B7R0.4 C(CCBr)CC(=N)N TS47673 [1,1,0,0,0,0|2,0,0]=4 847 B7R0.4 C(CCBr)CC(=O)Cl TS71477 [1,1,0,0,0,0|2,0,0]=4 848 B7R0.4 C(CCBr)CC(=O)O TS14721 [1,1,0,0,0,0|2,0,0]=4 849 B7R0.4 C(CCCl)CC(=O)Cl TS10542 [1,1,0,0,0,0|2,0,0]=4 850 B7R0.4 C(CCCl)CC(=O)O TS06138 [1,1,0,0,0,0|2,0,0]=4 851 B7R0.4 C(CCN)CC(=O)O TS04661 [1,1,0,0,0,0|2,0,0]=4 852 B7R0.4 C(CCN)CC(=O)O TS41314 [1,1,0,0,0,0|2,0,0]=4 853 B7R0.4 C=CCCCC(=O)O TS04449 [1,1,0,0,0,0|1,0,1]=4 854 B7R0.4 CC(=CCCC=C)C TS31846 [1,1,0,0,0,0|0,0,2]=4 855 B7R0.4 CC(=O)CCCCBr TS47671 [1,1,0,0,0,0|1,0,1]=4 856 B7R0.4 CC(=O)CCCCCl TS05947 [1,1,0,0,0,0|1,0,1]=4 857 B7R0.4 CC(=O)OCCC=C TS04442 [1,1,0,0,0,0|1,0,1]=4 858 B7R0.4 CC(C)CCCC=C TS31960 [1,1,0,0,0,0|0,0,0]=2 859 B7R0.4 CC(C)CCCCBr TS14341 [1,1,0,0,0,0|1,0,0]=3 860 B7R0.4 CC(C)CCCCCl TS36890 [1,1,0,0,0,0|1,0,0]=3 861 B7R0.4 CC(C)CCOC=O TS32212 [1,1,0,0,0,0|2,0,0]=4 862 B7R0.4 CC(C)COCCO TS04743 [1,1,0,0,0,0|2,0,0]=4 863 B7R0.4 CC(C)CSCCO TS36873 [1,1,0,0,0,0|2,0,0]=4 864 B7R0.4 CC(C)NCCCN TS04629 [1,1,0,0,0,0|2,0,0]=4 865 B7R0.4 CC(C)OCCCN TS32297 [1,1,0,0,0,0|2,0,0]=4 866 B7R0.4 CC(CCCCO)O TS04744 [1,1,0,0,0,0|1,0,0]=3 867 B7R0.4 CC(CNCCN)O TS32351 [1,1,0,0,0,0|2,0,0]=4 868 B7R0.4 CC=CCCC(=C)C TS04225 [1,1,0,0,0,0|0,0,2]=4 869 B7R0.4 CC=CCCC(C)C TS31977 [1,1,0,0,0,0|0,0,2]=4 870 B7R0.4 CCCC#CC(=C)C TS04147 [1,1,0,0,0,0|0,0,2]=4 871 B7R0.4 CCCCC=C(C)C TS04347 [1,1,0,0,0,0|0,0,2]=4 872 B7R0.4 CCCCCC(=C)C TS04340 [1,1,0,0,0,0|0,0,0]=2 873 B7R0.4 CCCCCC(=O)C TS32098 [1,1,0,0,0,0|0,0,1]=3 874 B7R0.4 CCCCCC(=O)Cl TS05948 [1,1,0,0,0,0|1,0,0]=3 875 B7R0.4 CCCCCC(=O)N TS32152 [1,1,0,0,0,0|1,0,0]=3 876 B7R0.4 CCCCCC(=O)O TS32204 [1,1,0,0,0,0|1,0,0]=3 877 B7R0.4 CCCCCC(=O)[O-] TS37174 [1,1,0,0,0,0|1,0,0]=3 878 B7R0.4 CCCCCC(=O)[O-] TS58596 [1,1,0,0,0,0|1,0,0]=3 879 B7R0.4 CCCCCC(C)Br TS14342 [1,1,0,0,0,0|0,0,1]=3 880 B7R0.4 CCCCCC(C)C TS32120 [1,1,0,0,0,0|0,0,1]=3 881 B7R0.4 CCCCCC(C)Cl TS05959 [1,1,0,0,0,0|0,0,1]=3 882 B7R0.4 CCCCCC(C)N TS04560 [1,1,0,0,0,0|0,0,1]=3 883 B7R0.4 CCCCCC(C)O TS32255 [1,1,0,0,0,0|0,0,1]=3 884 B7R0.4 CCCCC[C@@H](C)N TS04556 [1,1,0,0,0,0|0,0,1]=3 885 B7R0.4 CCCCC[C@@H](C)O TS04622 [1,1,0,0,0,0|0,0,1]=3 886 B7R0.4 CCCCC[C@H](C)N TS04553 [1,1,0,0,0,0|0,0,1]=3 887 B7R0.4 CCCCC[C@H](C)O TS32248 [1,1,0,0,0,0|0,0,1]=3 888 B7R0.4 CCCCC[N+](=O)[O-] TS04659 [1,1,0,0,0,0|2,0,0]=4 889 B7R0.4 CCCCNC(=O)C TS32171 [1,1,0,0,0,0|1,0,1]=4 890 B7R0.4 CCCCNC(=O)N TS04607 [1,1,0,0,0,0|2,0,0]=4 891 B7R0.4 CCCCNC(=S)N TS05781 [1,1,0,0,0,0|2,0,0]=4 892 B7R0.4 CCCCOC(=O)C TS32218 [1,1,0,0,0,0|1,0,1]=4 893 B7R0.4 CCCCOC(=O)Cl TS16538 [1,1,0,0,0,0|2,0,0]=4 894 B7R0.4 CCCCOC(=O)N TS04660 [1,1,0,0,0,0|2,0,0]=4 895 B7R0.4 CCCCOC(=S)C TS05777 [1,1,0,0,0,0|1,0,1]=4 896 B7R0.4 CCCCOC(Cl)Cl TS10816 [1,1,0,0,0,0|2,0,0]=4 897 B7R0.4 CCCCSC(C)C TS05791 [1,1,0,0,0,0|1,0,1]=4 898 B7R0.4 CCCNCC(=O)O TS04670 [1,1,0,0,0,0|2,0,0]=4 899 B7R0.4 CCCOCC(=O)O TS32314 [1,1,0,0,0,0|2,0,0]=4 900 B7R0.4 CCCOCC(C)O TS04740 [1,1,0,0,0,0|1,0,1]=4 901 B7R0.4 CCCSCC(=O)O TS05921 [1,1,0,0,0,0|2,0,0]=4 902 B7R0.4 CCCSCC(C)C TS05789 [1,1,0,0,0,0|1,0,1]=4 903 B7R0.4 CCOCCC(=O)C TS04589 [1,1,0,0,0,0|1,0,1]=4 904 B7R0.4 CCOCCC(=O)O TS32325 [1,1,0,0,0,0|2,0,0]=4 905 B7R0.4 CCSCCC(C)C TS05793 [1,1,0,0,0,0|1,0,1]=4 906 B7R0.4 CN(C)CCCC=O TS32154 [1,1,0,0,0,0|2,0,0]=4 907 B7R0.4 CN(C)CCCCN TS32257 [1,1,0,0,0,0|2,0,0]=4 908 B7R0.4 CN(C)CCCCO TS32288 [1,1,0,0,0,0|2,0,0]=4 909 B7R0.4 CNCCCC(=O)O TS41308 [1,1,0,0,0,0|2,0,0]=4 910 B7R0.4 C[C@H](CCCCO)O TS04737 [1,1,0,0,0,0|1,0,0]=3 911 B7R0.7 C=CCC(CC=C)N TS09042 [1,1,0,0,0,0|0,0,2]=4 912 B7R0.7 C=CCC(CC=C)O TS04312 [1,1,0,0,0,0|0,0,2]=4 913 B7R0.7 CC(CCBr)CCBr TS27082 [1,1,0,0,0,0|2,0,0]=4 914 B7R0.7 CC(CCI)CCI TS78357 [1,1,0,0,0,0|2,0,0]=4 915 B7R0.7 CC(CCO)CCO TS04739 [1,1,0,0,0,0|2,0,0]=4 916 B7R0.7 CC=CC(C)CC=C TS04219 [1,1,0,0,0,0|0,0,2]=4 917 B7R0.7 CC=CC(CC=C)O TS04315 [1,1,0,0,0,0|0,0,2]=4 918 B7R0.7 CCCC(=O)CCC TS32100 [1,1,0,0,0,0|0,0,2]=4 919 B7R0.7 CCCC(=O)OC=C TS04453 [1,1,0,0,0,0|1,0,1]=4 920 B7R0.7 CCCC(C)CC=C TS31971 [1,1,0,0,0,0|0,0,0]=2 921 B7R0.7 CCCC(C)CCC TS04512 [1,1,0,0,0,0|0,0,1]=3 922 B7R0.7 CCCC(C)CCO TS32249 [1,1,0,0,0,0|1,0,0]=3 923 B7R0.7 CCCC(C)OCC TS32250 [1,1,0,0,0,0|1,0,1]=4 924 B7R0.7 CCCC(C=CC)O TS04465 [1,1,0,0,0,0|0,0,2]=4 925 B7R0.7 CCCC(CC=C)O TS04466 [1,1,0,0,0,0|0,0,0]=2 926 B7R0.7 CCCC(CCC)Br TS14339 [1,1,0,0,0,0|0,0,1]=3 927 B7R0.7 CCCC(CCC)Cl TS36889 [1,1,0,0,0,0|0,0,1]=3 928 B7R0.7 CCCC(CCC)N TS02992 [1,1,0,0,0,0|0,0,1]=3 929 B7R0.7 CCCC(CCC)O TS04625 [1,1,0,0,0,0|0,0,1]=3 930 B7R0.7 CCCC(CCC)[Zn+] TS62077 [1,1,0,0,0,0|0,0,1]=3 931 B7R0.7 CCCC(CCO)S TS36876 [1,1,0,0,0,0|1,0,0]=3 932 B7R0.7 CCCN(C)CCC TS04549 [1,1,0,0,0,0|1,0,1]=4 933 B7R0.7 CCCS(=O)CCC TS36875 [1,1,0,0,0,0|1,0,1]=4 934 B7R0.7 CCC[C@@H](C)CCO TS32231 [1,1,0,0,0,0|1,0,0]=3 935 B7R0.7 CCOC(=O)CC=C TS04444 [1,1,0,0,0,0|1,0,1]=4 936 B9R0.4 CC(C)CC(=O)OCC=C TS06704 [0,2,0,0,0,0|1,0,1]=4 937 B9R0.4 CCCCC(=O)CC(=O)C TS06695 [0,2,0,0,0,0|0,0,2]=4 938 B9R0.4 CCCCC(C)CC(=O)O TS40195 [0,2,0,0,0,0|1,0,0]=3 939 B9R0.4 CCCCC(CC(=O)O)O TS40420 [0,2,0,0,0,0|1,0,0]=3 940 B9R0.4 CCCCC(CC(C)C)O TS40246 [0,2,0,0,0,0|0,0,2]=4 941 B9R0.4 CCCC[C@@H](C)CC(=O)O TS40197 [0,2,0,0,0,0|1,0,0]=3 942 B9R0.4 CCCC[C@H](C)CC(=O)O TS40208 [0,2,0,0,0,0|1,0,0]=3 943 B9R0.4 CSCC[C@@H](CC(=O)O)N TS37818 [0,2,0,0,0,0|2,0,0]=4 944 B9R0.4 C[C@H](CCC=C)C=C(C)C TS06320 [0,2,0,0,0,0|0,0,2]=4 945 B9R0.5 CCCCCC(=O)CCC TS06764 [0,2,0,0,0,0|0,0,2]=4 946 B9R0.5 CCCCCC(=O)OC=C TS06709 [0,2,0,0,0,0|0,0,1]=3 947 B9R0.5 CCCCCC(C)CCC TS37671 [0,2,0,0,0,0|0,0,2]=4 948 B9R0.5 CCCCCC(C)N=C=S TS41811 [0,2,0,0,0,0|1,0,1]=4 949 B9R0.5 CCCCCC(CC=C)O TS06739 [0,2,0,0,0,0|0,0,0]=2 950 B9R0.5 CCCCCC(CCC)O TS40239 [0,2,0,0,0,0|0,0,2]=4 951 B9R0.8 CCCCC(C(C)CC)O TS07019 [0,2,0,0,0,0|0,0,2]=4 952 B9R0.8 CCCCC(C(CO)O)O TS40633 [0,2,0,0,0,0|1,0,1]=4 953 B9R0.18 CCCCC(=O)CCCC TS39918 [0,2,0,0,0,0|0,0,2]=4 954 B9R0.18 CCCCC(=O)OCC=C TS37596 [0,2,0,0,0,0|0,0,1]=3 955 B9R0.18 CCCCC(C)CCCC TS06794 [0,2,0,0,0,0|0,0,2]=4 956 B9R0.18 CCCCC(CCCC)N TS06896 [0,2,0,0,0,0|0,0,2]=4 957 B9R0.18 CCCCC(CCCC)O TS40240 [0,2,0,0,0,0|0,0,2]=4 958 B9R0.18 CCCCN(C)CCCC TS06888 [0,2,0,0,0,0|0,0,2]=4 959 B9R0.18 CCCCN(CCCC)Cl TS11776 [0,2,0,0,0,0|0,0,2]=4 960 B9R0.18 CCCCS(=O)CCCC TS42514 [0,2,0,0,0,0|0,0,2]=4 961 B9R0.18 CCCC[Sn](=O)CCCC TS27846 [0,2,0,0,0,0|0,0,2]=4 962 B9R0.18 CCCC[Sn](=S)CCCC TS30112 [0,2,0,0,0,0|0,0,2]=4 963 B9R0.34 CCCC(C)CC(C)CC TS06787 [0,2,0,0,0,0|0,0,2]=4 964 B9R0.35 CCCC(C)C(CCC)O TS07017 [0,2,0,0,0,0|0,0,2]=4 965 B9R0.40 CCCCC(CC)CON TS40335 [0,2,0,0,0,0|2,0,0]=4 966 B9R0.48 CC(C)COC(=O)CC=C TS06693 [0,2,0,0,0,0|1,0,1]=4 967 B9R0.48 CCCC(=O)CCC(=O)C TS06705 [0,2,0,0,0,0|0,0,2]=4 968 B9R0.48 CCCC(C)CCC(=O)C TS37638 [0,2,0,0,0,0|0,0,1]=3 969 B9R0.48 CCCC(C)COC(=O)C TS40203 [0,2,0,0,0,0|1,0,1]=4 970 B9R0.66 C=CC[Si](CCCCl)(Cl)Cl TS22293 [0,2,0,0,0,0|1,1,0]=4 971 B9R0.66 CCCCC(C)(C)CCC TS06784 [0,2,0,0,0,0|0,0,2]=4 972 B9R0.66 CCCCC(C)(CCC)O TS07022 [0,2,0,0,0,0|0,0,2]=4 973 B9R0.2 B(C=CCCCCC)(O)O TS06634 [0,2,0,0,0,0|1,0,1]=4 974 B9R0.2 C(CCCBr)CCC(=O)Cl TS24416 [0,2,0,0,0,0|1,0,0]=3 975 B9R0.2 C(CCCBr)CCC(=O)O TS16501 [0,2,0,0,0,0|1,0,0]=3 976 B9R0.2 C(CCCCl)CCC(=O)O TS11959 [0,2,0,0,0,0|1,0,0]=3 977 B9R0.2 C(CCCN)CCC(=O)O TS48161 [0,2,0,0,0,0|1,0,0]=3 978 B9R0.2 C(CCCN)CCC(=O)O TS59742 [0,2,0,0,0,0|1,0,0]=3 979 B9R0.2 C(CCCO)CCC(=O)O TS55677 [0,2,0,0,0,0|1,0,0]=3 980 B9R0.2 CC(=O)OCCCCC=C TS06720 [0,2,0,0,0,0|0,0,1]=3 981 B9R0.2 CC(=O)OCCCCCBr TS20687 [0,2,0,0,0,0|1,0,1]=4 982 B9R0.2 CC(=O)OCCCCCCl TS11956 [0,2,0,0,0,0|1,0,1]=4 983 B9R0.2 CC(C)CCCCCCBr TS39155 [0,2,0,0,0,0|0,0,2]=4 984 B9R0.2 CC(C)CCCCCCN TS06894 [0,2,0,0,0,0|0,0,2]=4 985 B9R0.2 CCCCC=CCC(=O)O TS37609 [0,2,0,0,0,0|1,0,1]=4 986 B9R0.2 CCCCCC#CC(=O)O TS37382 [0,2,0,0,0,0|0,0,2]=4 987 B9R0.2 CCCCCC=CC(=O)O TS06694 [0,2,0,0,0,0|0,0,1]=3 988 B9R0.2 CCCCCCCC(=C)C TS06520 [0,2,0,0,0,0|0,0,0]=2 989 B9R0.2 CCCCCCCC(=O)C TS06758 [0,2,0,0,0,0|0,0,1]=3 990 B9R0.2 CCCCCCCC(=O)Cl TS11637 [0,2,0,0,0,0|0,0,1]=3 991 B9R0.2 CCCCCCCC(=O)N TS40110 [0,2,0,0,0,0|0,0,1]=3 992 B9R0.2 CCCCCCCC(=O)O TS40219 [0,2,0,0,0,0|0,0,1]=3 993 B9R0.2 CCCCCCCC(=O)[O-] TS43087 [0,2,0,0,0,0|0,0,1]=3 994 B9R0.2 CCCCCCCC(=O)[O-] TS48323 [0,2,0,0,0,0|0,0,1]=3 995 B9R0.2 CCCCCCCC(=O)[O-] TS64558 [0,2,0,0,0,0|0,0,1]=3 996 B9R0.2 CCCCCCCC(C)Br TS39158 [0,2,0,0,0,0|0,0,2]=4 997 B9R0.2 CCCCCCCC(C)C TS37672 [0,2,0,0,0,0|0,0,2]=4 998 B9R0.2 CCCCCCC[C@@H](C)N TS06891 [0,2,0,0,0,0|0,0,2]=4 999 B9R0.2 CCCCCCC[C@H](C)N TS06890 [0,2,0,0,0,0|0,0,2]=4 1000 B9R0.2 CCCCCCNC(=S)N TS11310 [0,2,0,0,0,0|1,0,0]=3 1001 B9R0.2 CCCCCCOC(=O)C TS40201 [0,2,0,0,0,0|0,0,1]=3 1002 B9R0.2 CCCCCCOC(=O)Cl TS11953 [0,2,0,0,0,0|1,0,0]=3 1003 B9R0.2 CCCCCCOC(=S)[S-] TS49163 [0,2,0,0,0,0|1,0,0]=3 1004 B9R0.2 CCCCNCCC(=O)N TS07002 [0,2,0,0,0,0|1,0,0]=3 1005 B9R0.2 CCCCNCCC(=O)O TS40320 [0,2,0,0,0,0|1,0,0]=3 1006 B9R0.2 CN(C)CCCCCCN TS07034 [0,2,0,0,0,0|1,0,1]=4 1007 B9R0.2 CN(C)CCCCCCO TS40334 [0,2,0,0,0,0|1,0,1]=4 1008 B9R0.45 C#CCCCCCCC#C TS36866 [0,2,0,0,0,0|0,0,2]=4 1009 B9R0.45 C#CCCCCCCCO TS06488 [0,2,0,0,0,0|0,0,2]=4 1010 B9R0.45 C(CCCC#N)CCC#N TS07891 [0,2,0,0,0,0|1,0,1]=4 1011 B9R0.45 C(CCCCBr)CCCBr TS74186 [0,2,0,0,0,0|0,0,2]=4 1012 B9R0.45 C(CCCCBr)CCCO TS59627 [0,2,0,0,0,0|0,0,2]=4 1013 B9R0.45 C(CCCCCl)CCCCl TS48395 [0,2,0,0,0,0|0,0,2]=4 1014 B9R0.45 C(CCCCCl)CCCO TS55696 [0,2,0,0,0,0|0,0,2]=4 1015 B9R0.45 C(CCCCN)CCCN TS07039 [0,2,0,0,0,0|0,0,2]=4 1016 B9R0.45 C(CCCCN)CCCN TS49233 [0,2,0,0,0,0|0,0,2]=4 1017 B9R0.45 C(CCCCO)CCCN TS40336 [0,2,0,0,0,0|0,0,2]=4 1018 B9R0.45 C(CCCCO)CCCO TS34596 [0,2,0,0,0,0|0,0,2]=4 1019 B9R0.45 C(CCCCS)CCCS TS14294 [0,2,0,0,0,0|0,0,2]=4 1020 B9R0.45 C(CCCN=[N+]=[N-])CCN TS37623 [0,2,0,0,0,0|2,0,0]=4 1021 B9R0.45 C(CCNCCCN)CN TS28701 [0,2,0,0,0,0|1,0,1]=4 1022 B9R0.45 C(CCNCCCN)CN TS40345 [0,2,0,0,0,0|1,0,1]=4 1023 B9R0.45 C(CCNCCCN)CN TS83990 [0,2,0,0,0,0|1,0,1]=4 1024 B9R0.45 C=CCCCCCCC=C TS06323 [0,2,0,0,0,0|0,0,0]=2 1025 B9R0.45 C=CCCCCCCCO TS37642 [0,2,0,0,0,0|0,0,0]=2 1026 B9R0.45 C=CCOCCOCCO TS40417 [0,2,0,0,0,0|1,0,0]=3 1027 B9R0.45 C=COCCCCOC=C TS06701 [0,2,0,0,0,0|0,0,2]=4 1028 B9R0.45 CC=CC=CCCCCO TS06516 [0,2,0,0,0,0|0,0,2]=4 1029 B9R0.45 CC=CCCCCC=CC TS06317 [0,2,0,0,0,0|0,0,1]=3 1030 B9R0.45 CCC=CCCC=CC=O TS37213 [0,2,0,0,0,0|0,0,2]=4 1031 B9R0.45 CCC=CCCC=CCC TS06314 [0,2,0,0,0,0|0,0,2]=4 1032 B9R0.45 CCC=CCCC=CCO TS06504 [0,2,0,0,0,0|0,0,2]=4 1033 B9R0.45 CCC=CCCCCC=O TS06506 [0,2,0,0,0,0|1,0,0]=3 1034 B9R0.45 CCC=CCCCCCO TS06747 [0,2,0,0,0,0|1,0,0]=3 1035 B9R0.45 CCC=CCCOCC=O TS37602 [0,2,0,0,0,0|1,0,1]=4 1036 B9R0.45 CCCCC#CCCC#C TS36858 [0,2,0,0,0,0|0,0,2]=4 1037 B9R0.45 CCCCC#CCCCC TS06315 [0,2,0,0,0,0|0,0,2]=4 1038 B9R0.45 CCCCC#CCCCCl TS42006 [0,2,0,0,0,0|1,0,1]=4 1039 B9R0.45 CCCCC=CC=CC=O TS37223 [0,2,0,0,0,0|0,0,2]=4 1040 B9R0.45 CCCCC=CC=CCO TS06495 [0,2,0,0,0,0|0,0,2]=4 1041 B9R0.45 CCCCC=CCCCC TS06526 [0,2,0,0,0,0|0,0,2]=4 1042 B9R0.45 CCCCC=CCCCC TS06534 [0,2,0,0,0,0|0,0,2]=4 1043 B9R0.45 CCCCCC#CCC#C TS36859 [0,2,0,0,0,0|0,0,2]=4 1044 B9R0.45 CCCCCC#CCCC TS06313 [0,2,0,0,0,0|0,0,2]=4 1045 B9R0.45 CCCCCC#CCCO TS06497 [0,2,0,0,0,0|1,0,1]=4 1046 B9R0.45 CCCCCC=CCCC TS06525 [0,2,0,0,0,0|0,0,2]=4 1047 B9R0.45 CCCCCC=CCCC TS06539 [0,2,0,0,0,0|0,0,2]=4 1048 B9R0.45 CCCCCC=CCCO TS06745 [0,2,0,0,0,0|0,0,2]=4 1049 B9R0.45 CCCCCC=COCC TS06766 [0,2,0,0,0,0|0,0,2]=4 1050 B9R0.45 CCCCCCC#CCC TS06319 [0,2,0,0,0,0|0,0,2]=4 1051 B9R0.45 CCCCCCC#CCO TS06501 [0,2,0,0,0,0|0,0,2]=4 1052 B9R0.45 CCCCCCC=CC=O TS37409 [0,2,0,0,0,0|0,0,0]=2 1053 B9R0.45 CCCCCCC=CCC TS06528 [0,2,0,0,0,0|0,0,0]=2 1054 B9R0.45 CCCCCCC=CCC TS06538 [0,2,0,0,0,0|0,0,0]=2 1055 B9R0.45 CCCCCCC=CCO TS37637 [0,2,0,0,0,0|0,0,0]=2 1056 B9R0.45 CCCCCCCC#CC TS06312 [0,2,0,0,0,0|0,0,2]=4 1057 B9R0.45 CCCCCCCCC#C TS06311 [0,2,0,0,0,0|0,0,2]=4 1058 B9R0.45 CCCCCCCCC=C TS06521 [0,2,0,0,0,0|0,0,0]=2 1059 B9R0.45 CCCCCCCCC=O TS06760 [0,2,0,0,0,0|0,0,1]=3 1060 B9R0.45 CCCCCCCCCBr TS00421 [0,2,0,0,0,0|0,0,2]=4 1061 B9R0.45 CCCCCCCCCC TS37669 [0,2,0,0,0,0|0,0,2]=4 1062 B9R0.45 CCCCCCCCCF TS40465 [0,2,0,0,0,0|0,0,2]=4 1063 B9R0.45 CCCCCCCCCN TS06895 [0,2,0,0,0,0|0,0,2]=4 1064 B9R0.45 CCCCCCCCCO TS07020 [0,2,0,0,0,0|0,0,2]=4 1065 B9R0.45 CCCCCCCCCS TS11320 [0,2,0,0,0,0|0,0,2]=4 1066 B9R0.45 CCCCCCCCNC TS06887 [0,2,0,0,0,0|0,0,2]=4 1067 B9R0.45 CCCCCCCCSC TS11321 [0,2,0,0,0,0|0,0,2]=4 1068 B9R0.45 CCCCCCCC[Mg]Br TS22286 [0,2,0,0,0,0|0,0,2]=4 1069 B9R0.45 CCCCCCCN=C=O TS37514 [0,2,0,0,0,0|0,0,2]=4 1070 B9R0.45 CCCCCCCN=C=S TS10905 [0,2,0,0,0,0|0,0,2]=4 1071 B9R0.45 CCCCCCCNCC TS06892 [0,2,0,0,0,0|0,0,2]=4 1072 B9R0.45 CCCCCCCSC#N TS10903 [0,2,0,0,0,0|0,0,2]=4 1073 B9R0.45 CCCCCCNCCN TS07030 [0,2,0,0,0,0|0,0,2]=4 1074 B9R0.45 CCCCCCNCCO TS40337 [0,2,0,0,0,0|0,0,2]=4 1075 B9R0.45 CCCCCCOCC=C TS06762 [0,2,0,0,0,0|0,0,0]=2 1076 B9R0.45 CCCCCCOCCO TS07250 [0,2,0,0,0,0|0,0,2]=4 1077 B9R0.45 CCCCCCSCCCl TS14704 [0,2,0,0,0,0|0,0,2]=4 1078 B9R0.45 CCCCCCSCCO TS42515 [0,2,0,0,0,0|0,0,2]=4 1079 B9R0.45 CCCCCNCCC#N TS37425 [0,2,0,0,0,0|0,0,2]=4 1080 B9R0.45 CCCCCNCCCC TS06893 [0,2,0,0,0,0|0,0,2]=4 1081 B9R0.45 CCCCNCCCCO TS40341 [0,2,0,0,0,0|0,0,2]=4 1082 B9R0.45 CCCCSSCCCC TS14290 [0,2,0,0,0,0|0,0,2]=4 1083 B9R0.45 CCOCCCCOCC TS07247 [0,2,0,0,0,0|0,0,2]=4 1084 B9R0.45 CCOCCOCCCN TS07368 [0,2,0,0,0,0|1,0,1]=4 1085 B9R0.45 CCOCCOCCOC TS40642 [0,2,0,0,0,0|1,0,1]=4 1086 B9R0.45 CCSCCCCSCC TS14292 [0,2,0,0,0,0|0,0,2]=4 1087 B9R0.45 CNCCCCCCNC TS07026 [0,2,0,0,0,0|0,0,2]=4 1088 B9R0.45 CSCCCCCCSC TS14288 [0,2,0,0,0,0|0,0,2]=4 1089 B9R0.45 CSCCCCCN=C=S TS13742 [0,2,0,0,0,0|1,0,1]=4 1090 B9R0.45 [CH2]CCCCCN=CC#N TS37226 [0,2,0,0,0,0|0,0,2]=4 1091 B9R0.46 C(CCC(CO)O)CCO TS40640 [0,2,0,0,0,0|1,0,1]=4 1092 B9R0.46 C=CCCCCC(CO)O TS06977 [0,2,0,0,0,0|0,0,0]=2 1093 B9R0.46 CCC(C)CCCCC#C TS37234 [0,2,0,0,0,0|0,0,2]=4 1094 B9R0.46 CCCCCCC(=O)CC TS06757 [0,2,0,0,0,0|0,0,1]=3 1095 B9R0.46 CCCCCCC(=O)OC TS06976 [0,2,0,0,0,0|0,0,1]=3 1096 B9R0.46 CCCCCCC(C)C=O TS02438 [0,2,0,0,0,0|0,0,1]=3 1097 B9R0.46 CCCCCCC(C)CBr TS39157 [0,2,0,0,0,0|0,0,2]=4 1098 B9R0.46 CCCCCCC(C)CC TS37670 [0,2,0,0,0,0|0,0,2]=4 1099 B9R0.46 CCCCCCC(C=C)O TS06738 [0,2,0,0,0,0|0,0,0]=2 1100 B9R0.46 CCCCCCC(CC)O TS40234 [0,2,0,0,0,0|0,0,2]=4 1101 B9R0.46 CCCCCCC(CCl)Cl TS48396 [0,2,0,0,0,0|0,0,2]=4 1102 B9R0.46 CCCCCCC(CO)O TS07249 [0,2,0,0,0,0|0,0,2]=4 1103 B9R0.46 CCCCCC[C@@H](CO)O TS07255 [0,2,0,0,0,0|0,0,2]=4 1104 B9R0.46 CCCCCC[C@H](CF)O TS07486 [0,2,0,0,0,0|0,0,2]=4 1105 B9R0.46 CCCCCC[C@H](CO)O TS07254 [0,2,0,0,0,0|0,0,2]=4 1106 B9R0.46 CCCCCOC(=O)C=C TS06719 [0,2,0,0,0,0|0,0,1]=3 1107 B9R0.46 CCCCCOC(=O)CC TS06970 [0,2,0,0,0,0|1,0,1]=4 1108 B9R0.46 CCCCCOC(=O)CN TS48166 [0,2,0,0,0,0|1,0,1]=4 1109 B9R0.46 CCCCCOC(=S)S[K] TS19469 [0,2,0,0,0,0|2,0,0]=4 1110 B9R0.46 CCOCCOC(=O)C=C TS33054 [0,2,0,0,0,0|1,0,1]=4 1111 B9R0.46 CC[C@H](C)CCCCCO TS40233 [0,2,0,0,0,0|0,0,2]=4 1112 B9R0.46 COC(=O)CCCCC=O TS06941 [0,2,0,0,0,0|1,0,1]=4 1113 B9R0.46 COC(=O)CCCCCBr TS20689 [0,2,0,0,0,0|1,0,1]=4 1114 B9R0.46 COC(=O)CCCCCN TS48164 [0,2,0,0,0,0|1,0,1]=4 1115 B9R0.46 COC(=O)CCCCCO TS40427 [0,2,0,0,0,0|1,0,1]=4 1116 B9R0.1 CC(C)CCCC(C)C=C TS06517 [0,2,0,0,0,0|0,0,0]=2 1117 B9R0.1 CC(CCOC(=O)C)C=C TS06713 [0,2,0,0,0,0|1,0,1]=4 1118 B9R0.1 CCC(C)CCCC(C)C TS06782 [0,2,0,0,0,0|0,0,2]=4 1119 B9R0.1 CCC(C)OCCC(=O)C TS06972 [0,2,0,0,0,0|1,0,1]=4 1120 B9R0.1 CCC(CC#CC(=C)C)O TS37210 [0,2,0,0,0,0|0,0,2]=4 1121 B9R0.20 CCCCCC(C#N)(Br)Br TS73826 [0,2,0,0,0,0|1,0,1]=4 1122 B9R0.20 CCCCCC(C)(C#C)O TS37415 [0,2,0,0,0,0|0,0,2]=4 1123 B9R0.20 CCCCCC(C)(C)CC TS06785 [0,2,0,0,0,0|0,0,2]=4 1124 B9R0.20 CCCCCC(C)(CC)Cl TS11638 [0,2,0,0,0,0|0,0,2]=4 1125 B9R0.20 CCCCCC(C)(CC)O TS40235 [0,2,0,0,0,0|0,0,2]=4 1126 B9R0.24 CCC(C)CCC(C)CC TS06791 [0,2,0,0,0,0|0,0,2]=4 1127 B9R0.24 CC[C@@H](CC[C@H](CC)O)O TS07260 [0,2,0,0,0,0|0,0,2]=4 1128 B9R0.24 CC[C@H](CC[C@@H](CC)O)O TS07245 [0,2,0,0,0,0|0,0,2]=4 1129 B9R0.47 C(CCBr)CC(C(=O)O)Br TS74394 [0,2,0,0,0,0|2,0,0]=4 1130 B9R0.47 C(CCN)CC(C(=O)O)N TS39859 [0,2,0,0,0,0|2,0,0]=4 1131 B9R0.47 C(CCN)CC(C(=O)O)N TS49566 [0,2,0,0,0,0|2,0,0]=4 1132 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS01964 [0,2,0,0,0,0|2,0,0]=4 1133 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS07239 [0,2,0,0,0,0|2,0,0]=4 1134 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS16616 [0,2,0,0,0,0|2,0,0]=4 1135 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS20155 [0,2,0,0,0,0|2,0,0]=4 1136 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS34096 [0,2,0,0,0,0|2,0,0]=4 1137 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS49563 [0,2,0,0,0,0|2,0,0]=4 1138 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS54315 [0,2,0,0,0,0|2,0,0]=4 1139 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS74520 [0,2,0,0,0,0|2,0,0]=4 1140 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS92968 [0,2,0,0,0,0|2,0,0]=4 1141 B9R0.47 C(CCN)C[C@H](C(=O)O)N TS07236 [0,2,0,0,0,0|2,0,0]=4 1142 B9R0.47 C(CCO)CC(C(=O)O)N TS07321 [0,2,0,0,0,0|2,0,0]=4 1143 B9R0.47 C(CCO)C[C@@H](C(=O)O)N TS40513 [0,2,0,0,0,0|2,0,0]=4 1144 B9R0.47 C=CCCCC(C(=O)O)N TS06870 [0,2,0,0,0,0|1,0,1]=4 1145 B9R0.47 C=CCCC[C@@H](C(=O)O)N TS06866 [0,2,0,0,0,0|1,0,1]=4 1146 B9R0.47 CCCCCC(=C(C)C)C TS06522 [0,2,0,0,0,0|0,0,2]=4 1147 B9R0.47 CCCCCC(=O)C(=O)C TS06710 [0,2,0,0,0,0|0,0,2]=4 1148 B9R0.47 CCCCCC(C(=O)O)Br TS20690 [0,2,0,0,0,0|1,0,0]=3 1149 B9R0.47 CCCCCC(C(=O)O)N TS07110 [0,2,0,0,0,0|1,0,0]=3 1150 B9R0.47 CCCCCC(C(C)C)O TS40248 [0,2,0,0,0,0|0,0,2]=4 1151 B9R0.47 CCCCCC(C)C(=O)O TS40214 [0,2,0,0,0,0|1,0,0]=3 1152 B9R0.47 CCCCCC(C)C(C)C TS06796 [0,2,0,0,0,0|0,0,2]=4 1153 B9R0.47 CCCCCN(C(=N)N)N TS33328 [0,2,0,0,0,0|2,0,0]=4 1154 B9R0.47 CCCCNC(=O)C(=C)C TS64944 [0,2,0,0,0,0|1,0,1]=4 1155 B9R0.47 CCCCOC(=O)C(=C)C TS37597 [0,2,0,0,0,0|1,0,1]=4 1156 B9R0.47 CCCCOC(=O)C(=C)F TS40404 [0,2,0,0,0,0|1,0,1]=4 1157 B9R0.47 CCSCCC(C(=O)O)N TS39380 [0,2,0,0,0,0|2,0,0]=4 1158 B9R0.47 CCSCC[C@@H](C(=O)O)N TS42612 [0,2,0,0,0,0|2,0,0]=4 1159 B9R0.47 CCSCC[C@H](C(=O)O)N TS42611 [0,2,0,0,0,0|2,0,0]=4 1160 B9R0.50 CCCCCC(CC)CC TS06786 [0,2,0,0,0,0|0,0,2]=4 1161 B9R0.50 CCCCCC(CO)CO TS07257 [0,2,0,0,0,0|1,0,1]=4 1162 B9R0.50 CCCCCC(OC)OC TS07244 [0,2,0,0,0,0|1,0,1]=4 1163 B9R0.38 C=CCCCC[Si](Cl)(Cl)Cl TS22292 [0,2,0,0,0,0|1,1,0]=4 1164 B9R0.38 CC(C)(C)CCCCCO TS40238 [0,2,0,0,0,0|1,0,1]=4 1165 B9R0.38 CCCCCCC(C)(C)Cl TS11639 [0,2,0,0,0,0|0,0,2]=4 1166 B9R0.38 CCCCCCC(C)(C)O TS40249 [0,2,0,0,0,0|0,0,2]=4 1167 B9R0.38 CCCCCCC(C)(C)S TS11319 [0,2,0,0,0,0|0,0,2]=4 1168 B9R0.38 CCCCCCN(=O)(C)C TS40338 [0,2,0,0,0,0|1,0,1]=4 1169 B9R0.38 CCCCCCP(=O)(Cl)Cl TS38379 [0,2,0,0,0,0|2,0,0]=4 1170 B9R0.38 CCCCCCP(=O)(O)O TS43019 [0,2,0,0,0,0|2,0,0]=4 1171 B9R0.38 CCCCCCS(=O)(=O)Cl TS64995 [0,2,0,0,0,0|2,0,0]=4 1172 B9R0.38 CCCCCCS(=O)(=O)[O-] TS50731 [0,2,0,0,0,0|2,0,0]=4 1173 B9R0.38 CCCCCC[Si](C)(C)Cl TS14315 [0,2,0,0,0,0|0,1,1]=4 1174 B9R0.38 CCCCCC[Si](C)(Cl)Cl TS37716 [0,2,0,0,0,0|0,1,1]=4 1175 B9R0.38 CCCCCC[Si](Cl)(Cl)Cl TS49676 [0,2,0,0,0,0|1,1,0]=4 1176 B9R0.38 CCCCCC[Si](F)(F)F TS12840 [0,2,0,0,0,0|1,1,0]=4 1177 B9R0.38 C[Si](C)(CCCCC=C)Cl TS46211 [0,2,0,0,0,0|0,1,0]=3 1178 B9R0.55 CC(=O)CCCCC(=O)O TS06938 [0,2,0,0,0,0|1,0,1]=4 1179 B9R0.55 CC(C)CCCCC(=O)O TS65177 [0,2,0,0,0,0|1,0,0]=3 1180 B9R0.55 CC(C)CCCCC(C)C TS37668 [0,2,0,0,0,0|0,0,2]=4 1181 B9R0.55 CC(C)COCCC(=O)C TS06991 [0,2,0,0,0,0|1,0,1]=4 1182 B9R0.55 CN(C)CCCCC(=O)O TS48163 [0,2,0,0,0,0|2,0,0]=4 1183 B7R1.1 C#CC1CCCC1 TS03680 [1,0,0,1,0,0|0,0,2]=4 1184 B7R1.1 C#CC1CCCC1 TS43724 [1,0,0,1,0,0|0,0,2]=4 1185 B7R1.1 C1CC(NC1)CN TS08246 [1,0,0,1,0,0|2,0,0]=4 1186 B7R1.1 C1CC(OC1)C=O TS16819 [1,0,0,1,0,0|2,0,0]=4 1187 B7R1.1 C1CC(OC1)CBr TS42845 [1,0,0,1,0,0|2,0,0]=4 1188 B7R1.1 C1CC(OC1)CCl TS32449 [1,0,0,1,0,0|2,0,0]=4 1189 B7R1.1 C1CC(OC1)CN TS39685 [1,0,0,1,0,0|2,0,0]=4 1190 B7R1.1 C1CC(OC1)CO TS59435 [1,0,0,1,0,0|2,0,0]=4 1191 B7R1.1 C1CC=C(C1)CBr TS90531 [1,0,0,1,0,0|1,0,1]=4 1192 B7R1.1 C1CCC(C1)C#N TS03699 [1,0,0,1,0,0|1,0,1]=4 1193 B7R1.1 C1CCC(C1)C=O TS55823 [1,0,0,1,0,0|1,0,0]=3 1194 B7R1.1 C1CCC(C1)CBr TS16535 [1,0,0,1,0,0|1,0,0]=3 1195 B7R1.1 C1CCC(C1)CO TS31527 [1,0,0,1,0,0|1,0,0]=3 1196 B7R1.1 C1CCC(C1)CO TS44787 [1,0,0,1,0,0|1,0,0]=3 1197 B7R1.1 C1CCC(C1)NN TS55828 [1,0,0,1,0,0|2,0,0]=4 1198 B7R1.1 C1CCC(C1)[Mg]Br TS45683 [1,0,0,1,0,0|2,0,0]=4 1199 B7R1.1 C1CCN(C1)C=O TS03825 [1,0,0,1,0,0|2,0,0]=4 1200 B7R1.1 C1CCN(C1)CI TS43938 [1,0,0,1,0,0|2,0,0]=4 1201 B7R1.1 C1CNCC1CO TS01674 [1,0,0,1,0,0|2,0,0]=4 1202 B7R1.1 C1CNCC1CO TS90843 [1,0,0,1,0,0|2,0,0]=4 1203 B7R1.1 C1CNC[C@@H]1CO TS86165 [1,0,0,1,0,0|2,0,0]=4 1204 B7R1.1 C1CNC[C@@H]1CO TS87755 [1,0,0,1,0,0|2,0,0]=4 1205 B7R1.1 C1CNC[C@H]1CO TS90835 [1,0,0,1,0,0|2,0,0]=4 1206 B7R1.1 C1CNC[C@H]1CO TS91204 [1,0,0,1,0,0|2,0,0]=4 1207 B7R1.1 C1COCC1C=O TS85084 [1,0,0,1,0,0|2,0,0]=4 1208 B7R1.1 C1COCC1CBr TS42850 [1,0,0,1,0,0|2,0,0]=4 1209 B7R1.1 C1COCC1CCl TS32453 [1,0,0,1,0,0|2,0,0]=4 1210 B7R1.1 C1COCC1CI TS21229 [1,0,0,1,0,0|2,0,0]=4 1211 B7R1.1 C1COCC1CN TS37140 [1,0,0,1,0,0|2,0,0]=4 1212 B7R1.1 C1COCC1CO TS90635 [1,0,0,1,0,0|2,0,0]=4 1213 B7R1.1 C1COC[C@@H]1CN TS86866 [1,0,0,1,0,0|2,0,0]=4 1214 B7R1.1 C1COC[C@@H]1CO TS90533 [1,0,0,1,0,0|2,0,0]=4 1215 B7R1.1 C1COC[C@H]1CN TS87555 [1,0,0,1,0,0|2,0,0]=4 1216 B7R1.1 C1COC[C@H]1CO TS91740 [1,0,0,1,0,0|2,0,0]=4 1217 B7R1.1 C1C[C@@H](NC1)CO TS55885 [1,0,0,1,0,0|2,0,0]=4 1218 B7R1.1 C1C[C@@H](OC1)CN TS08645 [1,0,0,1,0,0|2,0,0]=4 1219 B7R1.1 C1C[C@H](NC1)CF TS37317 [1,0,0,1,0,0|2,0,0]=4 1220 B7R1.1 C1C[C@H](NC1)CF TS86985 [1,0,0,1,0,0|2,0,0]=4 1221 B7R1.1 C1C[C@H](NC1)CN TS03869 [1,0,0,1,0,0|2,0,0]=4 1222 B7R1.1 C1C[C@H](NC1)CN TS86369 [1,0,0,1,0,0|2,0,0]=4 1223 B7R1.1 C1C[C@H](NC1)CO TS46675 [1,0,0,1,0,0|2,0,0]=4 1224 B7R1.1 C1C[C@H](NC1)CO TS90617 [1,0,0,1,0,0|2,0,0]=4 1225 B7R1.1 C1C[C@H](OC1)CN TS07684 [1,0,0,1,0,0|2,0,0]=4 1226 B7R1.1 C1C[C@H](OC1)CO TS03948 [1,0,0,1,0,0|2,0,0]=4 1227 B7R1.1 C=CC1CCCC1 TS44110 [1,0,0,1,0,0|0,0,0]=2 1228 B7R1.1 C=CC1OCCO1 TS03848 [1,0,0,1,0,0|2,0,0]=4 1229 B7R1.1 CC=C1CCCC1 TS03729 [1,0,0,1,0,0|0,0,2]=4 1230 B7R1.1 CCC1=CCCC1 TS03731 [1,0,0,1,0,0|0,0,1]=3 1231 B7R1.1 CCC1CCC=C1 TS03720 [1,0,0,1,0,0|0,0,0]=2 1232 B7R1.1 CCC1CCCC1 TS21020 [1,0,0,1,0,0|0,0,1]=3 1233 B7R1.1 CCC1CCCC1 TS21612 [1,0,0,1,0,0|0,0,1]=3 1234 B7R1.1 CCC1CCCC1 TS35071 [1,0,0,1,0,0|0,0,1]=3 1235 B7R1.1 CCC1CCCC1 TS57108 [1,0,0,1,0,0|0,0,1]=3 1236 B7R1.1 CCC1CCCC1 TS57519 [1,0,0,1,0,0|0,0,1]=3 1237 B7R1.1 CCC1CCCC1 TS62096 [1,0,0,1,0,0|0,0,1]=3 1238 B7R1.1 CCC1CCCC1 TS70230 [1,0,0,1,0,0|0,0,1]=3 1239 B7R1.1 CCC1CCCC1 TS70344 [1,0,0,1,0,0|0,0,1]=3 1240 B7R1.1 CCC1CCCC1 TS75798 [1,0,0,1,0,0|0,0,1]=3 1241 B7R1.1 CCC1CCCC1 TS78923 [1,0,0,1,0,0|0,0,1]=3 1242 B7R1.1 CCC1CCCC1 TS80049 [1,0,0,1,0,0|0,0,1]=3 1243 B7R1.1 CCC1OCCO1 TS03937 [1,0,0,1,0,0|2,0,0]=4 1244 B7R1.1 CCN1CCCC1 TS03828 [1,0,0,1,0,0|1,0,1]=4 1245 B7R1.1 COC1CCCC1 TS03863 [1,0,0,1,0,0|1,0,1]=4 1246 B7R1.1 CSC1CCCC1 TS04638 [1,0,0,1,0,0|1,0,1]=4 1247 B7R1.1 [C-]#[N+]C1CCCC1 TS03697 [1,0,0,1,0,0|1,0,1]=4 1248 B7R1.3 C1CC(=O)CNC1 TS02886 [1,0,0,1,0,0|2,0,0]=4 1249 B7R1.3 C1CC(=O)CNC1 TS59353 [1,0,0,1,0,0|2,0,0]=4 1250 B7R1.3 C1CC(=O)COC1 TS22954 [1,0,0,1,0,0|2,0,0]=4 1251 B7R1.3 C1CC(=O)COC1 TS89862 [1,0,0,1,0,0|2,0,0]=4 1252 B7R1.3 C1CC(=O)CSC1 TS90226 [1,0,0,1,0,0|2,0,0]=4 1253 B7R1.3 C1CC(CNC1)Br TS09491 [1,0,0,1,0,0|2,0,0]=4 1254 B7R1.3 C1CC(CNC1)Br TS42661 [1,0,0,1,0,0|2,0,0]=4 1255 B7R1.3 C1CC(CNC1)Cl TS41570 [1,0,0,1,0,0|2,0,0]=4 1256 B7R1.3 C1CC(CNC1)F TS37316 [1,0,0,1,0,0|2,0,0]=4 1257 B7R1.3 C1CC(CNC1)N TS02666 [1,0,0,1,0,0|2,0,0]=4 1258 B7R1.3 C1CC(CNC1)O TS02796 [1,0,0,1,0,0|2,0,0]=4 1259 B7R1.3 C1CC(CNC1)O TS16254 [1,0,0,1,0,0|2,0,0]=4 1260 B7R1.3 C1CC(CNC1)O TS28091 [1,0,0,1,0,0|2,0,0]=4 1261 B7R1.3 C1CC(CNC1)S TS91720 [1,0,0,1,0,0|2,0,0]=4 1262 B7R1.3 C1CC(COC1)Br TS42847 [1,0,0,1,0,0|2,0,0]=4 1263 B7R1.3 C1CC(COC1)I TS44102 [1,0,0,1,0,0|2,0,0]=4 1264 B7R1.3 C1CC(COC1)N TS39962 [1,0,0,1,0,0|2,0,0]=4 1265 B7R1.3 C1CC(COC1)N TS90719 [1,0,0,1,0,0|2,0,0]=4 1266 B7R1.3 C1CC(COC1)O TS59831 [1,0,0,1,0,0|2,0,0]=4 1267 B7R1.3 C1CC=CC(=O)C1 TS39840 [1,0,0,1,0,0|1,0,1]=4 1268 B7R1.3 C1CC=CC(C1)Br TS11359 [1,0,0,1,0,0|1,0,0]=3 1269 B7R1.3 C1CC=CC(C1)Cl TS04653 [1,0,0,1,0,0|1,0,0]=3 1270 B7R1.3 C1CC=CC(C1)O TS59964 [1,0,0,1,0,0|1,0,0]=3 1271 B7R1.3 C1CCC(=CC1)Cl TS04654 [1,0,0,1,0,0|1,0,1]=4 1272 B7R1.3 C1CCC(=O)CC1 TS31441 [1,0,0,1,0,0|1,0,0]=3 1273 B7R1.3 C1CCC(CC1)Br TS33231 [1,0,0,1,0,0|1,0,0]=3 1274 B7R1.3 C1CCC(CC1)Cl TS39830 [1,0,0,1,0,0|1,0,0]=3 1275 B7R1.3 C1CCC(CC1)F TS31606 [1,0,0,1,0,0|1,0,0]=3 1276 B7R1.3 C1CCC(CC1)I TS43723 [1,0,0,1,0,0|1,0,0]=3 1277 B7R1.3 C1CCC(CC1)N TS03833 [1,0,0,1,0,0|1,0,0]=3 1278 B7R1.3 C1CCC(CC1)N TS06026 [1,0,0,1,0,0|1,0,0]=3 1279 B7R1.3 C1CCC(CC1)N TS14508 [1,0,0,1,0,0|1,0,0]=3 1280 B7R1.3 C1CCC(CC1)N TS18426 [1,0,0,1,0,0|1,0,0]=3 1281 B7R1.3 C1CCC(CC1)O TS31506 [1,0,0,1,0,0|1,0,0]=3 1282 B7R1.3 C1CCC(CC1)P TS04576 [1,0,0,1,0,0|1,0,0]=3 1283 B7R1.3 C1CCC(CC1)[NH3+] TS60878 [1,0,0,1,0,0|1,0,0]=3 1284 B7R1.3 C1CCC(CC1)[Zn+] TS24609 [1,0,0,1,0,0|1,0,0]=3 1285 B7R1.3 C1CCN(CC1)N TS03873 [1,0,0,1,0,0|2,0,0]=4 1286 B7R1.3 C1CCN(CC1)N TS06144 [1,0,0,1,0,0|2,0,0]=4 1287 B7R1.3 C1CCN(CC1)O TS31559 [1,0,0,1,0,0|2,0,0]=4 1288 B7R1.3 C1CCNC(=N)C1 TS05957 [1,0,0,1,0,0|2,0,0]=4 1289 B7R1.3 C1CCNC(=O)C1 TS01420 [1,0,0,1,0,0|2,0,0]=4 1290 B7R1.3 C1CCNC(C1)Br TS42662 [1,0,0,1,0,0|2,0,0]=4 1291 B7R1.3 C1CCNC(C1)Cl TS04802 [1,0,0,1,0,0|2,0,0]=4 1292 B7R1.3 C1CCNC(C1)N TS03877 [1,0,0,1,0,0|2,0,0]=4 1293 B7R1.3 C1CCNC(C1)O TS03900 [1,0,0,1,0,0|2,0,0]=4 1294 B7R1.3 C1CCOC(=O)C1 TS01892 [1,0,0,1,0,0|2,0,0]=4 1295 B7R1.3 C1CCOC(C1)O TS31590 [1,0,0,1,0,0|2,0,0]=4 1296 B7R1.3 C1CNCCC1=O TS02248 [1,0,0,1,0,0|2,0,0]=4 1297 B7R1.3 C1CNCCC1=O TS71284 [1,0,0,1,0,0|2,0,0]=4 1298 B7R1.3 C1CNCCC1Br TS71009 [1,0,0,1,0,0|2,0,0]=4 1299 B7R1.3 C1CNCCC1Cl TS09688 [1,0,0,1,0,0|2,0,0]=4 1300 B7R1.3 C1CNCCC1F TS03995 [1,0,0,1,0,0|2,0,0]=4 1301 B7R1.3 C1CNCCC1F TS09127 [1,0,0,1,0,0|2,0,0]=4 1302 B7R1.3 C1CNCCC1N TS08873 [1,0,0,1,0,0|2,0,0]=4 1303 B7R1.3 C1CNCCC1N TS70915 [1,0,0,1,0,0|2,0,0]=4 1304 B7R1.3 C1CNCCC1O TS37141 [1,0,0,1,0,0|2,0,0]=4 1305 B7R1.3 C1CNCCC1O TS71282 [1,0,0,1,0,0|2,0,0]=4 1306 B7R1.3 C1CNCCC1S TS89665 [1,0,0,1,0,0|2,0,0]=4 1307 B7R1.3 C1COCCC1=O TS59431 [1,0,0,1,0,0|2,0,0]=4 1308 B7R1.3 C1COCCC1Br TS09616 [1,0,0,1,0,0|2,0,0]=4 1309 B7R1.3 C1COCCC1Cl TS32447 [1,0,0,1,0,0|2,0,0]=4 1310 B7R1.3 C1COCCC1I TS09723 [1,0,0,1,0,0|2,0,0]=4 1311 B7R1.3 C1COCCC1N TS11397 [1,0,0,1,0,0|2,0,0]=4 1312 B7R1.3 C1COCCC1N TS70925 [1,0,0,1,0,0|2,0,0]=4 1313 B7R1.3 C1COCCC1N TS70926 [1,0,0,1,0,0|2,0,0]=4 1314 B7R1.3 C1COCCC1O TS59433 [1,0,0,1,0,0|2,0,0]=4 1315 B7R1.3 C1COCCC1O TS85905 [1,0,0,1,0,0|2,0,0]=4 1316 B7R1.3 C1CSCCC1=O TS59432 [1,0,0,1,0,0|2,0,0]=4 1317 B7R1.3 C1CSCCC1N TS59442 [1,0,0,1,0,0|2,0,0]=4 1318 B7R1.3 C1CSCCC1O TS59441 [1,0,0,1,0,0|2,0,0]=4 1319 B7R1.3 C1C[C@@H](CNC1)F TS89045 [1,0,0,1,0,0|2,0,0]=4 1320 B7R1.3 C1C[C@@H](CNC1)N TS03872 [1,0,0,1,0,0|2,0,0]=4 1321 B7R1.3 C1C[C@@H](CNC1)O TS46664 [1,0,0,1,0,0|2,0,0]=4 1322 B7R1.3 C1C[C@H](CNC1)F TS92720 [1,0,0,1,0,0|2,0,0]=4 1323 B7R1.3 C1C[C@H](CNC1)N TS93699 [1,0,0,1,0,0|2,0,0]=4 1324 B7R1.3 C1C[C@H](CNC1)O TS88232 [1,0,0,1,0,0|2,0,0]=4 1325 B7R1.3 C1C[C@H](CNC1)O TS89282 [1,0,0,1,0,0|2,0,0]=4 1326 B7R1.3 CC1CC=CC=C1 TS03676 [1,0,0,1,0,0|0,0,2]=4 1327 B7R1.3 CC1CCCCC1 TS02317 [1,0,0,1,0,0|0,0,1]=3 1328 B7R1.3 CC1CCCCO1 TS31512 [1,0,0,1,0,0|1,0,0]=3 1329 B7R1.3 CC1CCCNC1 TS70672 [1,0,0,1,0,0|1,0,1]=4 1330 B7R1.3 CC1CCNCC1 TS03831 [1,0,0,1,0,0|1,0,1]=4 1331 B7R1.3 CC1CCOCO1 TS03947 [1,0,0,1,0,0|2,0,0]=4 1332 B7R1.3 CC1CNCCO1 TS02170 [1,0,0,1,0,0|2,0,0]=4 1333 B7R1.3 CC1SCCCS1 TS16705 [1,0,0,1,0,0|2,0,0]=4 1334 B7R1.3 CN1CCCCC1 TS03834 [1,0,0,1,0,0|1,0,1]=4 1335 B7R1.3 C[C@@H]1CCCCN1 TS03835 [1,0,0,1,0,0|1,0,0]=3 1336 B7R1.3 C[C@@H]1CNCCN1 TS08073 [1,0,0,1,0,0|2,0,0]=4 1337 B7R1.3 C[C@@H]1CNCCO1 TS03899 [1,0,0,1,0,0|2,0,0]=4 1338 B7R1.3 C[C@@H]1CNCCO1 TS08072 [1,0,0,1,0,0|2,0,0]=4 1339 B7R1.3 C[C@@H]1COCCN1 TS01972 [1,0,0,1,0,0|2,0,0]=4 1340 B7R1.3 C[C@H]1CNCCN1 TS06145 [1,0,0,1,0,0|2,0,0]=4 1341 B7R1.3 C[C@H]1CNCCN1 TS22969 [1,0,0,1,0,0|2,0,0]=4 1342 B7R1.3 C[C@H]1CNCCN1 TS45580 [1,0,0,1,0,0|2,0,0]=4 1343 B7R1.3 C[C@H]1CNCCO1 TS89643 [1,0,0,1,0,0|2,0,0]=4 1344 B7R1.3 C[C@H]1COCCN1 TS46666 [1,0,0,1,0,0|2,0,0]=4 1345 B7R1.4 C1CC(C(=O)C1)Br TS55161 [1,0,0,1,0,0|2,0,0]=4 1346 B7R1.4 C1CC(C(=O)C1)Cl TS04768 [1,0,0,1,0,0|2,0,0]=4 1347 B7R1.4 C1CC(C(C1)Cl)Cl TS06337 [1,0,0,1,0,0|2,0,0]=4 1348 B7R1.4 C1CC(C(C1)O)N TS03905 [1,0,0,1,0,0|2,0,0]=4 1349 B7R1.4 C1C[C@@H]([C@H](C1)O)N TS59451 [1,0,0,1,0,0|2,0,0]=4 1350 B7R1.4 C1C[C@@H]([C@H](C1)O)O TS03951 [1,0,0,1,0,0|2,0,0]=4 1351 B7R1.4 C1C[C@H]([C@@H](C1)Cl)Cl TS06338 [1,0,0,1,0,0|2,0,0]=4 1352 B7R1.4 C1C[C@H]([C@@H](C1)O)N TS94575 [1,0,0,1,0,0|2,0,0]=4 1353 B7R1.4 C1C[C@H]([C@@H](C1)O)O TS03935 [1,0,0,1,0,0|2,0,0]=4 1354 B7R1.4 C1C[C@H]([C@H](C1)O)N TS55819 [1,0,0,1,0,0|2,0,0]=4 1355 B7R1.4 C1C[C@H]([C@H](C1)O)O TS03956 [1,0,0,1,0,0|2,0,0]=4 1356 B7R1.4 CC1=C(CCC1)C TS03727 [1,0,0,1,0,0|0,0,2]=4 1357 B7R1.4 CC1C(=O)CCO1 TS31501 [1,0,0,1,0,0|2,0,0]=4 1358 B7R1.4 CC1C(=O)CCS1 TS04612 [1,0,0,1,0,0|2,0,0]=4 1359 B7R1.4 CC1C(CCO1)S TS32361 [1,0,0,1,0,0|2,0,0]=4 1360 B7R1.4 CC1CCC=C1C TS31386 [1,0,0,1,0,0|0,0,2]=4 1361 B7R1.4 CC1CCNC1=O TS70662 [1,0,0,1,0,0|2,0,0]=4 1362 B7R1.4 CC1CCOC1=O TS59696 [1,0,0,1,0,0|2,0,0]=4 1363 B7R1.4 CN1CCCC1=O TS46986 [1,0,0,1,0,0|2,0,0]=4 1364 B7R1.4 C[C@@H]1CCC[C@@H]1C TS03788 [1,0,0,1,0,0|0,0,1]=3 1365 B7R1.4 C[C@@H]1CCC[C@H]1C TS03797 [1,0,0,1,0,0|0,0,1]=3 1366 B7R1.6 C1C(CO1)CC=O TS86511 [1,0,0,1,0,0|2,0,0]=4 1367 B7R1.6 C1C(CO1)CCO TS86834 [1,0,0,1,0,0|2,0,0]=4 1368 B7R1.6 C1CC(C1)CCN TS88922 [1,0,0,1,0,0|1,0,0]=3 1369 B7R1.6 C1CN(C1)CCCl TS92407 [1,0,0,1,0,0|2,0,0]=4 1370 B7R1.6 COCC1CCN1 TS92247 [1,0,0,1,0,0|2,0,0]=4 1371 B7R1.6 COC[C@@H]1CCN1 TS92216 [1,0,0,1,0,0|2,0,0]=4 1372 B7R1.6 COC[C@H]1CCN1 TS90071 [1,0,0,1,0,0|2,0,0]=4 1373 B7R1.7 C1CC1OCCCl TS46506 [1,0,0,1,0,0|2,0,0]=4 1374 B7R1.7 CCCCC1CO1 TS31525 [1,0,0,1,0,0|1,0,0]=3 1375 B7R1.7 CCCC[C@@H]1CO1 TS31508 [1,0,0,1,0,0|1,0,0]=3 1376 B7R1.7 CCOCC1CO1 TS03943 [1,0,0,1,0,0|2,0,0]=4 1377 B7R1.8 C1CC(=O)C1CO TS92430 [1,0,0,1,0,0|2,0,0]=4 1378 B7R1.8 CN1CCC1CN TS92300 [1,0,0,1,0,0|2,0,0]=4 1379 B7R1.8 CN1CC[C@@H]1CN TS91985 [1,0,0,1,0,0|2,0,0]=4 1380 B7R1.8 CN1CC[C@H]1CN TS92777 [1,0,0,1,0,0|2,0,0]=4 1381 B7R1.24 C1C=CCOCO1 TS03849 [1,0,0,1,0,0|2,0,0]=4 1382 B7R1.24 C1CC=CC=CC1 TS03682 [1,0,0,1,0,0|0,0,2]=4 1383 B7R1.24 C1CCC=CCC1 TS31384 [1,0,0,1,0,0|0,0,0]=2 1384 B7R1.24 C1CCCCCC1 TS03793 [1,0,0,1,0,0|0,0,1]=3 1385 B7R1.24 C1CCCNCC1 TS39804 [1,0,0,1,0,0|1,0,0]=3 1386 B7R1.24 C1CCCOCC1 TS31519 [1,0,0,1,0,0|1,0,0]=3 1387 B7R1.24 C1CCCSCC1 TS04639 [1,0,0,1,0,0|1,0,0]=3 1388 B7R1.24 C1CCOCOC1 TS03952 [1,0,0,1,0,0|2,0,0]=4 1389 B7R1.24 C1CCSCSC1 TS36881 [1,0,0,1,0,0|2,0,0]=4 1390 B7R1.24 C1CNCCNC1 TS08536 [1,0,0,1,0,0|2,0,0]=4 1391 B7R1.24 C1CNCCOC1 TS02067 [1,0,0,1,0,0|2,0,0]=4 1392 B9R1.2 C1CC(CC(C1)N)CN TS36364 [0,1,0,1,0,0|1,0,1]=4 1393 B9R1.2 C1CNC(CC1C=O)Br TS51394 [0,1,0,1,0,0|2,0,0]=4 1394 B9R1.2 CCC1CCCC(C1)C TS36177 [0,1,0,1,0,0|0,0,2]=4 1395 B9R1.2 CCN1CCCC(=O)C1 TS11774 [0,1,0,1,0,0|1,0,1]=4 1396 B9R1.2 CCN1CCCC(=O)C1 TS36243 [0,1,0,1,0,0|1,0,1]=4 1397 B9R1.2 CC[C@H]1CCC[C@H](C1)C TS05224 [0,1,0,1,0,0|0,0,2]=4 1398 B9R1.2 COC1=CC(=O)CCC1 TS05158 [0,1,0,1,0,0|1,0,1]=4 1399 B9R1.7 CCCC1CCC(=O)O1 TS36311 [0,1,0,1,0,0|1,0,0]=3 1400 B9R1.7 CCOC1=CC(=O)CC1 TS36121 [0,1,0,1,0,0|1,0,1]=4 1401 B9R1.8 C#CCC1CCCCC1 TS32527 [0,1,0,1,0,0|0,0,2]=4 1402 B9R1.8 C1CC(CNC1)CCN TS19166 [0,1,0,1,0,0|1,0,1]=4 1403 B9R1.8 C1CC(CNC1)CCO TS32945 [0,1,0,1,0,0|1,0,1]=4 1404 B9R1.8 C1CCC(=CC#N)CC1 TS32468 [0,1,0,1,0,0|0,0,2]=4 1405 B9R1.8 C1CCC(=CC1)CCN TS05119 [0,1,0,1,0,0|0,0,2]=4 1406 B9R1.8 C1CCC(CC1)CC#N TS34561 [0,1,0,1,0,0|0,0,2]=4 1407 B9R1.8 C1CCC(CC1)CCBr TS17234 [0,1,0,1,0,0|0,0,2]=4 1408 B9R1.8 C1CCC(CC1)CCN TS11778 [0,1,0,1,0,0|0,0,2]=4 1409 B9R1.8 C1CCC(CC1)CCN TS36254 [0,1,0,1,0,0|0,0,2]=4 1410 B9R1.8 C1CCC(CC1)CNN TS11969 [0,1,0,1,0,0|1,0,1]=4 1411 B9R1.8 C1CCC(CC1)CNN TS36365 [0,1,0,1,0,0|1,0,1]=4 1412 B9R1.8 C1CCC(CC1)CON TS05475 [0,1,0,1,0,0|1,0,1]=4 1413 B9R1.8 C1CCC(CC1)N=C=O TS22947 [0,1,0,1,0,0|1,0,1]=4 1414 B9R1.8 C1CCC(CC1)N=C=S TS06615 [0,1,0,1,0,0|1,0,1]=4 1415 B9R1.8 C1CCC(CC1)NC=O TS05278 [0,1,0,1,0,0|1,0,0]=3 1416 B9R1.8 C1CCC(CC1)OC=O TS05353 [0,1,0,1,0,0|1,0,0]=3 1417 B9R1.8 C1CCN(CC1)CC#N TS36020 [0,1,0,1,0,0|1,0,1]=4 1418 B9R1.8 C1CCN(CC1)CCCl TS07395 [0,1,0,1,0,0|1,0,1]=4 1419 B9R1.8 C1CCN(CC1)CCCl TS15231 [0,1,0,1,0,0|1,0,1]=4 1420 B9R1.8 C1CCN(CC1)CCN TS22816 [0,1,0,1,0,0|1,0,1]=4 1421 B9R1.8 C1CCN(CC1)CCO TS05482 [0,1,0,1,0,0|1,0,1]=4 1422 B9R1.8 C1CCNC(C1)CCCl TS15228 [0,1,0,1,0,0|1,0,1]=4 1423 B9R1.8 C1CCNC(C1)CCN TS19169 [0,1,0,1,0,0|1,0,1]=4 1424 B9R1.8 C1CCNC(C1)CCO TS02459 [0,1,0,1,0,0|1,0,1]=4 1425 B9R1.8 C1CCOC(C1)CCN TS05479 [0,1,0,1,0,0|1,0,1]=4 1426 B9R1.8 C1CNCCC1CCO TS71281 [0,1,0,1,0,0|1,0,1]=4 1427 B9R1.8 C1COCCC1CC#N TS36059 [0,1,0,1,0,0|1,0,1]=4 1428 B9R1.8 C1COCCC1CC=O TS88204 [0,1,0,1,0,0|1,0,0]=3 1429 B9R1.8 C1COCCC1CCBr TS70729 [0,1,0,1,0,0|1,0,1]=4 1430 B9R1.8 C1COCCC1CCN TS09523 [0,1,0,1,0,0|1,0,1]=4 1431 B9R1.8 C1COCCC1CCN TS12114 [0,1,0,1,0,0|1,0,1]=4 1432 B9R1.8 C1COCCC1CCO TS60058 [0,1,0,1,0,0|1,0,1]=4 1433 B9R1.8 C=C=CC1CCCCC1 TS32530 [0,1,0,1,0,0|0,0,0]=2 1434 B9R1.8 C=CC=C1CCCCC1 TS32533 [0,1,0,1,0,0|0,0,1]=3 1435 B9R1.8 C=CCC1=CCCCC1 TS32535 [0,1,0,1,0,0|0,0,1]=3 1436 B9R1.8 C=CCC1CCCCC1 TS05041 [0,1,0,1,0,0|0,0,0]=2 1437 B9R1.8 C=CCC1CCCCC1 TS15012 [0,1,0,1,0,0|0,0,0]=2 1438 B9R1.8 C=CCN1CCCCC1 TS05115 [0,1,0,1,0,0|0,0,0]=2 1439 B9R1.8 C=CCN1CCNCC1 TS36166 [0,1,0,1,0,0|1,0,0]=3 1440 B9R1.8 C=CCN1CCOCC1 TS05279 [0,1,0,1,0,0|1,0,0]=3 1441 B9R1.8 C=COC1CCCCC1 TS05195 [0,1,0,1,0,0|0,0,0]=2 1442 B9R1.8 CC#CC1CCCCC1 TS04925 [0,1,0,1,0,0|0,0,2]=4 1443 B9R1.8 CCCC1CCCCC1 TS36184 [0,1,0,1,0,0|0,0,2]=4 1444 B9R1.8 CCCC1CCCCN1 TS02180 [0,1,0,1,0,0|0,0,2]=4 1445 B9R1.8 CCCC1CCCCN1 TS11779 [0,1,0,1,0,0|0,0,2]=4 1446 B9R1.8 CCCC1CCCCO1 TS05388 [0,1,0,1,0,0|0,0,2]=4 1447 B9R1.8 CCCC1CCNCC1 TS11777 [0,1,0,1,0,0|0,0,2]=4 1448 B9R1.8 CCCC1CCNCC1 TS36258 [0,1,0,1,0,0|0,0,2]=4 1449 B9R1.8 CCNC1CCCCC1 TS36260 [0,1,0,1,0,0|0,0,2]=4 1450 B9R1.8 CCOC1=CCCCC1 TS05194 [0,1,0,1,0,0|0,0,2]=4 1451 B9R1.8 CCOC1CCC=CO1 TS36292 [0,1,0,1,0,0|1,0,0]=3 1452 B9R1.8 CNCC1CCCCO1 TS36422 [0,1,0,1,0,0|1,0,1]=4 1453 B9R1.8 CNCC1CCNCC1 TS36354 [0,1,0,1,0,0|1,0,1]=4 1454 B9R1.8 CNCC1CCOCC1 TS60138 [0,1,0,1,0,0|1,0,1]=4 1455 B9R1.8 COCC1CCNCC1 TS05477 [0,1,0,1,0,0|1,0,1]=4 1456 B9R1.8 COCC1CCNCC1 TS87684 [0,1,0,1,0,0|1,0,1]=4 1457 B9R1.8 COC[C@@H]1CCCCN1 TS85176 [0,1,0,1,0,0|1,0,1]=4 1458 B9R1.12 C1CCN(C1)CCC#N TS36014 [0,1,0,1,0,0|1,0,1]=4 1459 B9R1.12 C1CCN(C1)CCCBr TS51408 [0,1,0,1,0,0|1,0,1]=4 1460 B9R1.12 C1CCN(C1)CCCBr TS74306 [0,1,0,1,0,0|1,0,1]=4 1461 B9R1.12 C1CCN(C1)CCCCl TS08154 [0,1,0,1,0,0|1,0,1]=4 1462 B9R1.12 C1CCN(C1)CCCCl TS15230 [0,1,0,1,0,0|1,0,1]=4 1463 B9R1.12 C1CCN(C1)CCCN TS36353 [0,1,0,1,0,0|1,0,1]=4 1464 B9R1.12 C1CCN(C1)CCCO TS36426 [0,1,0,1,0,0|1,0,1]=4 1465 B9R1.12 C=CCNC1CCCC1 TS05116 [0,1,0,1,0,0|0,0,0]=2 1466 B9R1.12 CCC=CC1CCCC1 TS05058 [0,1,0,1,0,0|0,0,2]=4 1467 B9R1.12 CCCCC1=CCCC1 TS05061 [0,1,0,1,0,0|0,0,1]=3 1468 B9R1.12 CCCCC1CCCC1 TS36178 [0,1,0,1,0,0|0,0,2]=4 1469 B9R1.12 CCCCC1CCCC1 TS61460 [0,1,0,1,0,0|0,0,2]=4 1470 B9R1.12 CCCCC1CCCC1 TS66426 [0,1,0,1,0,0|0,0,2]=4 1471 B9R1.12 CCCCC1CCCC1 TS71915 [0,1,0,1,0,0|0,0,2]=4 1472 B9R1.12 CCCCC1CCCC1 TS81233 [0,1,0,1,0,0|0,0,2]=4 1473 B9R1.12 CCCCC1CCCC1 TS81832 [0,1,0,1,0,0|0,0,2]=4 1474 B9R1.12 CCCCC1CCCC1 TS83585 [0,1,0,1,0,0|0,0,2]=4 1475 B9R1.12 CCCCN1CCCC1 TS00426 [0,1,0,1,0,0|0,0,2]=4 1476 B9R1.12 CCCCc1[nH]ccn1 TS36021 [0,1,0,1,0,0|1,0,1]=4 1477 B9R1.12 CCCCc1ccco1 TS35998 [0,1,0,1,0,0|0,0,2]=4 1478 B9R1.12 CCCCc1cccs1 TS37432 [0,1,0,1,0,0|0,0,2]=4 1479 B9R1.12 CCCCc1ccsc1 TS37433 [0,1,0,1,0,0|0,0,2]=4 1480 B9R1.12 CCCCn1ccnc1 TS00425 [0,1,0,1,0,0|1,0,1]=4 1481 B9R1.12 CCOCC1CCCO1 TS36503 [0,1,0,1,0,0|1,0,1]=4 1482 B9R1.12 [C-]#[N+]CCN1CCCC1 TS36018 [0,1,0,1,0,0|1,0,1]=4 1483 B9R1.15 C1CCC(=O)C(=CO)C1 TS36117 [0,1,0,1,0,0|1,0,1]=4 1484 B9R1.15 C1CCC(=O)C(C1)C#N TS04966 [0,1,0,1,0,0|1,0,1]=4 1485 B9R1.15 C1CCC(C(C1)CN)N TS05401 [0,1,0,1,0,0|1,0,1]=4 1486 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O TS59456 [0,1,0,1,0,0|1,0,1]=4 1487 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N TS12117 [0,1,0,1,0,0|1,0,1]=4 1488 B9R1.15 C1CC[C@H]([C@H](C1)CN)O TS12116 [0,1,0,1,0,0|1,0,1]=4 1489 B9R1.15 C1CC[C@H]([C@H](C1)CO)N TS12118 [0,1,0,1,0,0|1,0,1]=4 1490 B9R1.15 C=CN1CCCCC1=O TS36060 [0,1,0,1,0,0|1,0,1]=4 1491 B9R1.15 CC=C1CCCCC1=O TS36005 [0,1,0,1,0,0|1,0,1]=4 1492 B9R1.15 CCC1C(=O)NCCN1 TS05358 [0,1,0,1,0,0|2,0,0]=4 1493 B9R1.15 CC[C@@H]1CCCC[C@@H]1C TS05230 [0,1,0,1,0,0|0,0,2]=4 1494 B9R1.15 CC[C@@H]1CCCC[C@H]1C TS05214 [0,1,0,1,0,0|0,0,2]=4 1495 B9R1.15 CN1CCCCC1CN TS05403 [0,1,0,1,0,0|1,0,1]=4 1496 B9R1.15 CN1CCCCC1CO TS46982 [0,1,0,1,0,0|1,0,1]=4 1497 B9R1.15 CN[C@@H]1CCCC[C@H]1O TS94624 [0,1,0,1,0,0|1,0,1]=4 1498 B9R1.15 CN[C@@H]1CCCC[C@H]1O TS94625 [0,1,0,1,0,0|1,0,1]=4 1499 B9R1.15 COC1CCCCC1=O TS05343 [0,1,0,1,0,0|1,0,0]=3 1500 B9R1.15 COC1CCCNC1=O TS00160 [0,1,0,1,0,0|2,0,0]=4 1501 B9R1.15 COC1COCCC1=O TS87427 [0,1,0,1,0,0|2,0,0]=4 1502 B9R1.15 CO[C@H]1CCCCC1=O TS36300 [0,1,0,1,0,0|1,0,0]=3 1503 B9R1.15 CO[C@H]1CCCC[C@@H]1O TS05565 [0,1,0,1,0,0|1,0,1]=4 1504 B9R1.15 CSC1CCCCC1=O TS40228 [0,1,0,1,0,0|1,0,0]=3 1505 B9R1.27 CCC1C(=O)CCC1=O TS36119 [0,1,0,1,0,0|1,0,1]=4 1506 B9R1.27 CCC1C(CNC1=O)C TS36242 [0,1,0,1,0,0|2,0,0]=4 1507 B9R1.33 C1CC(=O)N(C1)CCO TS36418 [0,1,0,1,0,0|2,0,0]=4 1508 B9R1.33 CCCN1CCCC1=O TS05280 [0,1,0,1,0,0|1,0,0]=3 1509 B9R1.33 CN1CCCC1CCCl TS16660 [0,1,0,1,0,0|1,0,1]=4 1510 B9R1.33 CN1CCCC1CCN TS39234 [0,1,0,1,0,0|1,0,1]=4 1511 B9R1.33 CN1CCCC1CCO TS16652 [0,1,0,1,0,0|1,0,1]=4 1512 B9R1.33 CN1CCC[C@@H]1CCN TS91267 [0,1,0,1,0,0|1,0,1]=4 1513 B9R1.33 CN1CCC[C@H]1CCN TS90742 [0,1,0,1,0,0|1,0,1]=4 1514 B9R1.33 COC[C@@H]1CCCN1N TS59859 [0,1,0,1,0,0|2,0,0]=4 1515 B9R1.33 COC[C@H]1CCCN1N TS36519 [0,1,0,1,0,0|2,0,0]=4 1516 B9R1.48 C1CCC(=O)CC(=O)C1 TS36124 [0,1,0,1,0,0|1,0,1]=4 1517 B9R1.49 CN1CCCC(CC1)N TS87553 [0,1,0,1,0,0|1,0,1]=4 1518 B9R1.49 CN1CCCC(CC1)O TS36433 [0,1,0,1,0,0|1,0,1]=4 1519 B9R1.50 C1CCCC(CCC1)Br TS17235 [0,1,0,1,0,0|0,0,2]=4 1520 B9R1.50 C1CCCNC(=O)CC1 TS05275 [0,1,0,1,0,0|1,0,0]=3 1521 B9R1.50 CC1=CCCCCCC1 TS05043 [0,1,0,1,0,0|0,0,0]=2 1522 B9R1.50 CC1CC=CCCC=C1 TS32528 [0,1,0,1,0,0|0,0,1]=3 1523 B9R1.50 CC1CCCCCC=C1 TS05055 [0,1,0,1,0,0|0,0,0]=2 1524 B9R1.50 CC1CCCCCCC1 TS05222 [0,1,0,1,0,0|0,0,2]=4 1525 B9R1.69 CC1CCC(=O)N(C1)C TS36241 [0,1,0,1,0,0|2,0,0]=4 1526 B9R1.69 CC1CCC(C(=O)C1)C TS05183 [0,1,0,1,0,0|1,0,0]=3 1527 B9R1.69 CC1CCC(C(C1)C)C TS05216 [0,1,0,1,0,0|0,0,2]=4 1528 B9R1.69 CC1CCC(C(C1)C)O TS05396 [0,1,0,1,0,0|1,0,1]=4 1529 B9R1.69 CC1CN(CCC1=O)C TS00372 [0,1,0,1,0,0|2,0,0]=4 1530 B9R1.69 CN1CC(CCC1=O)N TS86285 [0,1,0,1,0,0|2,0,0]=4 1531 B9R1.100 CCCCC(C)C1CC1 TS36180 [0,1,0,1,0,0|0,0,2]=4 1532 B9R1.134 CCCC1(CCCC1)O TS36336 [0,1,0,1,0,0|0,0,2]=4 1533 B9R1.5 C1CCC(=O)N(CC1)Br TS51395 [0,1,0,1,0,0|2,0,0]=4 1534 B9R1.5 C1CCNC(=O)C(C1)N TS05359 [0,1,0,1,0,0|2,0,0]=4 1535 B9R1.5 C1CCNC(=O)[C@@H](C1)N TS59665 [0,1,0,1,0,0|2,0,0]=4 1536 B9R1.5 C1CCNC(=O)[C@H](C1)N TS05365 [0,1,0,1,0,0|2,0,0]=4 1537 B9R1.5 C1CC[C@@H]([C@H](CC1)O)O TS05544 [0,1,0,1,0,0|1,0,1]=4 1538 B9R1.5 C1CC[C@H]([C@@H](CC1)O)O TS05561 [0,1,0,1,0,0|1,0,1]=4 1539 B9R1.5 CN1CCCCCC1=O TS36239 [0,1,0,1,0,0|1,0,0]=3 1540 B9R1.5 CN1CCCNCC1=O TS05356 [0,1,0,1,0,0|2,0,0]=4 1541 B9R1.14 CCN1CCCC1CN TS87964 [0,1,0,1,0,0|1,0,1]=4 1542 B9R1.14 CCN1CCC[C@@H]1CN TS46580 [0,1,0,1,0,0|1,0,1]=4 1543 B9R1.14 CC[C@@H]1CCC[C@H]1CC TS05207 [0,1,0,1,0,0|0,0,2]=4 1544 B9R1.14 COC1CCCN1C=O TS36413 [0,1,0,1,0,0|2,0,0]=4 1545 B9R1.83 C=CCCCCC1CO1 TS36159 [0,1,0,1,0,0|0,0,0]=2 1546 B9R1.83 CCCCCCC1CO1 TS05397 [0,1,0,1,0,0|0,0,2]=4 1547 B9R1.83 CCCCCC[C@@H]1CO1 TS05392 [0,1,0,1,0,0|0,0,2]=4 1548 B9R1.83 CCCCOCC1CO1 TS36506 [0,1,0,1,0,0|1,0,1]=4 1549 B9R1.89 C1CC(CCNC1)C#N TS92307 [0,1,0,1,0,0|1,0,1]=4 1550 B9R1.89 C1CCC=C(CC1)C#N TS32476 [0,1,0,1,0,0|0,0,2]=4 1551 B9R1.89 C1CCCC(=NO)CC1 TS05273 [0,1,0,1,0,0|1,0,0]=3 1552 B9R1.89 C1CCCC(CC1)C#N TS04981 [0,1,0,1,0,0|0,0,2]=4 1553 B9R1.89 C1CCCC(CC1)C=O TS05193 [0,1,0,1,0,0|0,0,1]=3 1554 B9R1.89 C1CCCC(CC1)CI TS26149 [0,1,0,1,0,0|0,0,2]=4 1555 B9R1.89 C1CCCC(CC1)CN TS01403 [0,1,0,1,0,0|0,0,2]=4 1556 B9R1.89 C1CCCC(CC1)CO TS05384 [0,1,0,1,0,0|0,0,2]=4 1557 B9R1.89 C1CCCC(CC1)NN TS11968 [0,1,0,1,0,0|1,0,1]=4 1558 B9R1.89 C1CCCN(CC1)N=O TS05357 [0,1,0,1,0,0|2,0,0]=4 1559 B9R1.89 C1CNCCN(C1)C=O TS02107 [0,1,0,1,0,0|2,0,0]=4 1560 B9R1.89 CC=C1CCCCCC1 TS05056 [0,1,0,1,0,0|0,0,0]=2 1561 B9R1.89 CNC1CCCCNC1 TS36352 [0,1,0,1,0,0|1,0,1]=4 1562 B9R1.89 COC1=NCCCCC1 TS36236 [0,1,0,1,0,0|1,0,1]=4 1563 B9R1.89 COC1CCCNCC1 TS87163 [0,1,0,1,0,0|1,0,1]=4 1564 B9R1.1 C1CC(=O)CCC1C=O TS29491 [0,1,0,1,0,0|1,0,1]=4 1565 B9R1.1 C1CC(CCC1CN)N TS36359 [0,1,0,1,0,0|1,0,1]=4 1566 B9R1.1 C1[C@@H](CC[C@@H](C1)N)CO TS89377 [0,1,0,1,0,0|1,0,1]=4 1567 B9R1.1 C1[C@@H](CC[C@H](C1)N)CO TS86753 [0,1,0,1,0,0|1,0,1]=4 1568 B9R1.1 CC1CCC(CC1)CO TS05372 [0,1,0,1,0,0|1,0,1]=4 1569 B9R1.1 CC1CCN(CC1)C=O TS05286 [0,1,0,1,0,0|2,0,0]=4 1570 B9R1.1 CCC1CCC(CC1)C TS05205 [0,1,0,1,0,0|0,0,2]=4 1571 B9R1.1 CCC1CCC(CC1)N TS36256 [0,1,0,1,0,0|0,0,2]=4 1572 B9R1.1 CCC1CCC(CC1)O TS36345 [0,1,0,1,0,0|0,0,2]=4 1573 B9R1.1 CC[C@H]1CC[C@@H](CC1)C TS05211 [0,1,0,1,0,0|0,0,2]=4 1574 B9R1.1 CC[C@H]1CC[C@@H](CC1)N TS36255 [0,1,0,1,0,0|0,0,2]=4 1575 B9R1.1 CC[C@H]1CC[C@@H](CC1)O TS05390 [0,1,0,1,0,0|0,0,2]=4 1576 B9R1.1 CC[C@H]1CC[C@H](CC1)C TS05225 [0,1,0,1,0,0|0,0,2]=4 1577 B9R1.1 CC[C@H]1CC[C@H](CC1)O TS36326 [0,1,0,1,0,0|0,0,2]=4 1578 B9R1.1 CN[C@H]1CC[C@@H](CC1)O TS86281 [0,1,0,1,0,0|1,0,1]=4 1579 B9R1.1 CN[C@H]1CC[C@H](CC1)O TS88686 [0,1,0,1,0,0|1,0,1]=4 1580 B9R1.3 CC1C(=O)CCCC1=O TS05155 [0,1,0,1,0,0|1,0,1]=4 1581 B9R1.3 CC1CCCC(=O)C1=O TS05153 [0,1,0,1,0,0|1,0,1]=4 1582 B9R1.3 CC1CCCC(C1C)C TS05217 [0,1,0,1,0,0|0,0,2]=4 1583 B9R1.3 CC1CCCC(C1N)C TS05287 [0,1,0,1,0,0|1,0,1]=4 1584 B9R1.3 CC1CCCC(N1N)C TS05402 [0,1,0,1,0,0|2,0,0]=4 1585 B9R1.3 CN1CCCC(C1=O)N TS88173 [0,1,0,1,0,0|2,0,0]=4 1586 B9R1.3 C[C@@H]1CCC[C@@H](C1=C)C TS05063 [0,1,0,1,0,0|0,0,0]=2 1587 B9R1.3 C[C@H]1CCC[C@@H](C1=C)C TS05052 [0,1,0,1,0,0|0,0,0]=2 1588 B9R1.11 C=CC(C1CCCC1)O TS36149 [0,1,0,1,0,0|0,0,0]=2 1589 B9R1.21 CCC1CCC(O1)CC TS36341 [0,1,0,1,0,0|0,0,2]=4 1590 B9R1.118 C#CC1(CCCCC1)O TS36009 [0,1,0,1,0,0|0,0,2]=4 1591 B9R1.118 C1CCC(CC1)(C#N)N TS11341 [0,1,0,1,0,0|1,0,1]=4 1592 B9R1.118 C1CCC(CC1)(C#N)O TS36066 [0,1,0,1,0,0|1,0,1]=4 1593 B9R1.118 C1CCC(CC1)(CN)O TS05481 [0,1,0,1,0,0|1,0,1]=4 1594 B9R1.118 C1CCC(CC1)(CN)O TS12115 [0,1,0,1,0,0|1,0,1]=4 1595 B9R1.118 C1CCC(CC1)(CO)N TS12112 [0,1,0,1,0,0|1,0,1]=4 1596 B9R1.118 C1CCC(CC1)(CO)O TS05566 [0,1,0,1,0,0|1,0,1]=4 1597 B9R1.118 CCC1(CCCCC1)C TS05220 [0,1,0,1,0,0|0,0,2]=4 1598 B9R1.118 CCC1(CCCCC1)O TS77179 [0,1,0,1,0,0|0,0,2]=4 1599 B9R1.6 B(C1CCCCC1)(O)O TS85497 [0,1,0,1,0,0|2,0,0]=4 1600 B9R1.6 C1CC(CNC1)C(=O)N TS05362 [0,1,0,1,0,0|2,0,0]=4 1601 B9R1.6 C1CC(CNC1)C(=O)N TS11963 [0,1,0,1,0,0|2,0,0]=4 1602 B9R1.6 C1CC(CNC1)C(=O)O TS05456 [0,1,0,1,0,0|2,0,0]=4 1603 B9R1.6 C1CC(CNC1)C(=O)O TS94707 [0,1,0,1,0,0|2,0,0]=4 1604 B9R1.6 C1CC(COC1)C(=O)O TS02098 [0,1,0,1,0,0|2,0,0]=4 1605 B9R1.6 C1CC(CSC1)C(=O)O TS91315 [0,1,0,1,0,0|2,0,0]=4 1606 B9R1.6 C1CCC(CC1)C(=O)Cl TS07288 [0,1,0,1,0,0|1,0,0]=3 1607 B9R1.6 C1CCC(CC1)C(=O)N TS00205 [0,1,0,1,0,0|1,0,0]=3 1608 B9R1.6 C1CCC(CC1)C(=O)[O-] TS40838 [0,1,0,1,0,0|1,0,0]=3 1609 B9R1.6 C1CCC(CC1)P(Cl)Cl TS15417 [0,1,0,1,0,0|2,0,0]=4 1610 B9R1.6 C1CCC(CC1)[N+](=O)[O-] TS56408 [0,1,0,1,0,0|2,0,0]=4 1611 B9R1.6 C1CCN(CC1)C(=N)N TS20484 [0,1,0,1,0,0|2,0,0]=4 1612 B9R1.6 C1CCN(CC1)C(=N)N TS67678 [0,1,0,1,0,0|2,0,0]=4 1613 B9R1.6 C1CCN(CC1)C(=O)Cl TS07390 [0,1,0,1,0,0|2,0,0]=4 1614 B9R1.6 C1CCN(CC1)C(=O)O TS05459 [0,1,0,1,0,0|2,0,0]=4 1615 B9R1.6 C1CCN(CC1)C(=S)S TS62348 [0,1,0,1,0,0|2,0,0]=4 1616 B9R1.6 C1CCNC(C1)C(=O)N TS59354 [0,1,0,1,0,0|2,0,0]=4 1617 B9R1.6 C1CCNC(C1)C(=O)O TS02458 [0,1,0,1,0,0|2,0,0]=4 1618 B9R1.6 C1CCNC(C1)C(=O)O TS42975 [0,1,0,1,0,0|2,0,0]=4 1619 B9R1.6 C1CCNC(C1)C(=O)O TS94706 [0,1,0,1,0,0|2,0,0]=4 1620 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS56211 [0,1,0,1,0,0|2,0,0]=4 1621 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS94954 [0,1,0,1,0,0|2,0,0]=4 1622 B9R1.6 C1CCN[C@H](C1)C(=O)O TS01764 [0,1,0,1,0,0|2,0,0]=4 1623 B9R1.6 C1CCN[C@H](C1)C(=O)O TS94583 [0,1,0,1,0,0|2,0,0]=4 1624 B9R1.6 C1CCOC(C1)C(=O)O TS05536 [0,1,0,1,0,0|2,0,0]=4 1625 B9R1.6 C1CNCCC1C(=O)N TS59356 [0,1,0,1,0,0|2,0,0]=4 1626 B9R1.6 C1CNCCC1C(=O)O TS42979 [0,1,0,1,0,0|2,0,0]=4 1627 B9R1.6 C1CNCCC1C(=O)O TS71280 [0,1,0,1,0,0|2,0,0]=4 1628 B9R1.6 C1COCCC1C(=N)N TS91238 [0,1,0,1,0,0|2,0,0]=4 1629 B9R1.6 C1COCCC1C(=O)Cl TS59428 [0,1,0,1,0,0|2,0,0]=4 1630 B9R1.6 C1COCCC1C(=O)O TS05526 [0,1,0,1,0,0|2,0,0]=4 1631 B9R1.6 C1CSCCC1C(=O)O TS89293 [0,1,0,1,0,0|2,0,0]=4 1632 B9R1.6 C1C[C@@H](CNC1)C(=O)N TS85892 [0,1,0,1,0,0|2,0,0]=4 1633 B9R1.6 C1C[C@@H](CNC1)C(=O)N TS90971 [0,1,0,1,0,0|2,0,0]=4 1634 B9R1.6 C1C[C@@H](CNC1)C(=O)O TS46667 [0,1,0,1,0,0|2,0,0]=4 1635 B9R1.6 C1C[C@H](CNC1)C(=O)N TS89106 [0,1,0,1,0,0|2,0,0]=4 1636 B9R1.6 C1C[C@H](CNC1)C(=O)N TS90970 [0,1,0,1,0,0|2,0,0]=4 1637 B9R1.6 C1C[C@H](CNC1)C(=O)O TS00308 [0,1,0,1,0,0|2,0,0]=4 1638 B9R1.6 C1C[C@H](CNC1)C(=O)O TS59489 [0,1,0,1,0,0|2,0,0]=4 1639 B9R1.6 CC(=O)C1CCCCC1 TS05176 [0,1,0,1,0,0|0,0,1]=3 1640 B9R1.6 CC(=O)C1CCCCN1 TS59502 [0,1,0,1,0,0|1,0,1]=4 1641 B9R1.6 CC(=O)N1CCCCC1 TS05281 [0,1,0,1,0,0|1,0,1]=4 1642 B9R1.6 CC(C)C1=CCCCC1 TS05054 [0,1,0,1,0,0|0,0,2]=4 1643 B9R1.6 CC(C1CCCCC1)O TS36346 [0,1,0,1,0,0|0,0,2]=4 1644 B9R1.6 CN(C)C1CCCCC1 TS36253 [0,1,0,1,0,0|1,0,1]=4 1645 B9R1.6 C[C@@H](C1CCCCC1)N TS36257 [0,1,0,1,0,0|0,0,2]=4 1646 B9R1.6 C[C@H](C1CCCCC1)N TS36259 [0,1,0,1,0,0|0,0,2]=4 1647 B9R1.6 C[SiH](C)C1CCCCC1 TS37674 [0,1,0,1,0,0|0,1,1]=4 1648 B9R1.13 C1CC(C=C1)CC(=O)N TS36067 [0,1,0,1,0,0|1,0,1]=4 1649 B9R1.13 C1CCC(C1)CC(=O)Cl TS07289 [0,1,0,1,0,0|1,0,0]=3 1650 B9R1.13 C1CCC(C1)CC(=O)O TS27085 [0,1,0,1,0,0|1,0,0]=3 1651 B9R1.13 C1CCC(C1)OC(=O)Cl TS16795 [0,1,0,1,0,0|2,0,0]=4 1652 B9R1.13 C1CNCC1CC(=O)O TS86561 [0,1,0,1,0,0|2,0,0]=4 1653 B9R1.13 C1CNC[C@@H]1CC(=O)O TS91621 [0,1,0,1,0,0|2,0,0]=4 1654 B9R1.13 C1CNC[C@H]1CC(=O)O TS88661 [0,1,0,1,0,0|2,0,0]=4 1655 B9R1.13 C1C[C@@H](NC1)CC(=O)O TS91258 [0,1,0,1,0,0|2,0,0]=4 1656 B9R1.13 C1C[C@H](NC1)CC(=O)O TS36411 [0,1,0,1,0,0|2,0,0]=4 1657 B9R1.13 CC(=O)CC1CCC=C1 TS36006 [0,1,0,1,0,0|0,0,1]=3 1658 B9R1.13 CC(=O)CC1CCCC1 TS05185 [0,1,0,1,0,0|0,0,1]=3 1659 B9R1.13 CC(C)CC1CCCC1 TS05219 [0,1,0,1,0,0|0,0,2]=4 1660 B9R1.13 CC(C)CC1CCCC1 TS81235 [0,1,0,1,0,0|0,0,2]=4 1661 B9R1.13 CN(C)CC1CCCC1 TS26984 [0,1,0,1,0,0|1,0,1]=4 1662 B9R1.40 CC1(CCCCC1=O)C TS05203 [0,1,0,1,0,0|1,0,0]=3 1663 B9R1.40 CC1(CCCCC1=O)Cl TS07287 [0,1,0,1,0,0|1,0,0]=3 1664 B9R1.40 CC1(CCCOC1=O)C TS36287 [0,1,0,1,0,0|2,0,0]=4 1665 B9R1.40 CC1(CNCCC1=O)C TS90878 [0,1,0,1,0,0|2,0,0]=4 1666 B9R1.40 CC1CCCCC1(C)C TS05231 [0,1,0,1,0,0|0,0,2]=4 1667 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O TS36408 [0,1,0,1,0,0|2,0,0]=4 1668 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O TS85102 [0,1,0,1,0,0|2,0,0]=4 1669 B9R1.41 C1C[C@H]([C@H](C1)O)C(=O)N TS36404 [0,1,0,1,0,0|2,0,0]=4 1670 B9R1.41 CC(=O)C1CCCC1=O TS36123 [0,1,0,1,0,0|1,0,1]=4 1671 B9R1.41 CC(C)N1CCCC1=O TS36238 [0,1,0,1,0,0|2,0,0]=4 1672 B9R1.41 CN1CCC[C@H]1C(=O)O TS01601 [0,1,0,1,0,0|2,0,0]=4 1673 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O TS46518 [0,1,0,1,0,0|2,0,0]=4 1674 B9R1.84 C1CC(C1)CC[N+](=O)[O-] TS36397 [0,1,0,1,0,0|2,0,0]=4 1675 B9R1.148 CC1(CCCCCC1)O TS05376 [0,1,0,1,0,0|0,0,2]=4 1676 B9R2.49 C1CC2CCC1CC2 TS04220 [0,0,0,2,0,0|0,0,2]=4 1677 B9R2.49 C1CC2CCC1CN2 TS92202 [0,0,0,2,0,0|1,0,1]=4 1678 B9R2.49 C1[C@H]2C=C[C@@H](C1)CC2 TS04145 [0,0,0,2,0,0|0,0,0]=2 1679 B9R2.68 C1CC2CC1CC=C2 TS04150 [0,0,0,2,0,0|0,0,0]=2 1680 B9R2.68 C1CC2CCC(C1)N2 TS86792 [0,0,0,2,0,0|1,0,1]=4 1681 B9R2.174 C1CCC2(CC1)CC2 TS04222 [0,0,0,2,0,0|0,0,2]=4 1682 B9R2.174 C1CCC2(CC1)CO2 TS31948 [0,0,0,2,0,0|1,0,1]=4 1683 B9R2.174 C1CCC2(CC1)NN2 TS04322 [0,0,0,2,0,0|2,0,0]=4 1684 B9R2.39 C1C2CC(C1C=C2)O TS04201 [0,0,0,2,0,0|1,0,0]=3 1685 B9R2.39 C1CC2CC1CC2O TS31924 [0,0,0,2,0,0|1,0,1]=4 1686 B9R2.39 C1C[C@@H]2C[C@H]1C[C@@H]2O TS31950 [0,0,0,2,0,0|1,0,1]=4 1687 B9R2.39 C1C[C@@H]2C[C@H]1C[C@H]2O TS31931 [0,0,0,2,0,0|1,0,1]=4 1688 B9R2.39 C1C[C@H]2C[C@@H]1C(=O)N2 TS04254 [0,0,0,2,0,0|2,0,0]=4 1689 B9R2.39 C1C[C@H]2C[C@@H]1CC2Cl TS36573 [0,0,0,2,0,0|1,0,1]=4 1690 B9R2.39 C1C[C@H]2C[C@@H]1C[C@@H]2Br TS13629 [0,0,0,2,0,0|1,0,1]=4 1691 B9R2.39 C1C[C@H]2C[C@@H]1C[C@H]2O TS31927 [0,0,0,2,0,0|1,0,1]=4 1692 B9R2.39 C=C1CC2CC1C=C2 TS04095 [0,0,0,2,0,0|0,0,2]=4 1693 B9R2.109 C1CC2C(O2)C(=O)C1 TS31907 [0,0,0,2,0,0|2,0,0]=4 1694 B9R2.3 C1CC2CCCC2C1 TS04223 [0,0,0,2,0,0|0,0,2]=4 1695 B9R2.3 C1CC2CNCC2C1 TS59333 [0,0,0,2,0,0|1,0,1]=4 1696 B9R2.3 C1C[C@@H]2CC=C[C@@H]2C1 TS04149 [0,0,0,2,0,0|0,0,0]=2 1697 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 TS87054 [0,0,0,2,0,0|1,0,1]=4 1698 B9R2.173 C1CC2(C1)CCCN2 TS86401 [0,0,0,2,0,0|1,0,1]=4 1699 B9R2.173 C1CC2(C1)CCNC2 TS92584 [0,0,0,2,0,0|1,0,1]=4 1700 B9R2.173 C1CCC2(C1)CCN2 TS86155 [0,0,0,2,0,0|1,0,1]=4 1701 B9R2.173 C1CCC2(C1)CNC2 TS88894 [0,0,0,2,0,0|1,0,1]=4 1702 B9R2.52 C1CCC2C(O2)CC1 TS31946 [0,0,0,2,0,0|1,0,1]=4