0 B4R0.2 C#CCCC D91892 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.2 C#COCC 29666 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.2 C=CCC#N H10716 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.2 C=CCC=C D91889 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.2 C=CSCC D90486 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 C=C\C=C\C D91991 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.2 CC#CCC D91988 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.2 CCCCC D91890 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.2 CCCCN T70340 [0,0,0,0,0,0|2,0,0]=2 9 B4R0.2 CCCNN AC6659 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.2 CCCOC D91344 [0,0,0,0,0,0|1,1,0]=2 11 B4R0.2 CCCON AC8673 [0,0,0,0,0,0|2,1,0]=3 12 B4R0.2 CCCSC D91585 [0,0,0,0,0,0|1,0,0]=1 13 B4R0.2 CCNCC D89660 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.2 CCOC=N A11323 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.2 CCSC#N D92318 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.2 CCSCC W13859 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.2 CNCC#N D91283 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.2 CNCC#N D91284 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.2 CSCCN F53618 [0,0,0,0,0,0|1,0,0]=1 20 B4R0.2 C\C=C/CBr D88665 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.2 C\C=C\CC D91989 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.2 C\C=C\CCl D89204 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.2 C\C=C\CO 41794 [0,0,0,0,0,0|1,0,1]=2 24 B4R0.2 ClCCCCl D89645 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.2 ClCSCCl T70824 [0,0,0,0,0,0|4,0,0]=4 26 B4R0.2 Cl\C=C/CCl D78377 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.2 FCCCF F10308 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.2 N#CCCN AT19970 [0,0,0,0,0,0|3,0,0]=3 29 B4R0.2 N#CSCCl D92464 [0,0,0,0,0,0|4,0,0]=4 30 B4R0.2 NCCCN D88819 [0,0,0,0,0,0|3,0,0]=3 31 B4R0.2 NCCCO D88258 [0,0,0,0,0,0|2,0,0]=2 32 B4R0.2 OCC#CI AT14264 [0,0,0,0,0,0|2,0,1]=3 33 B3R0.1 C=CCN 68202 [1,0,0,0,0,0|1,0,2]=4 34 B3R0.1 C=CCS D88323 [1,0,0,0,0,0|1,0,1]=3 35 B3R0.1 CC#CC D88719 [1,0,0,0,0,0|1,0,1]=3 36 B3R0.1 CN=C=S P20003 [1,0,0,0,0,0|1,1,1]=4 37 B3R0.1 C\C=C/Br 23063 [1,0,0,0,0,0|1,0,2]=4 38 B3R0.1 C\C=C/Cl D89227 [1,0,0,0,0,0|1,0,2]=4 39 B3R0.1 C\C=C\Br D88739 [1,0,0,0,0,0|1,0,2]=4 40 B3R0.1 NCCCl D87646 [1,0,0,0,0,0|2,0,0]=3 41 B3R0.1 NCCF D87785 [1,0,0,0,0,0|2,0,0]=3 42 B3R0.1 NCCN D88914 [1,0,0,0,0,0|2,0,0]=3 43 B3R0.1 NCCS D88360 [1,0,0,0,0,0|1,0,0]=2 44 B5R0.1 C#CCC(C)C D91298 [0,1,0,0,0,0|2,0,1]=4 45 B5R0.1 C#CCN(C)C AT19964 [0,1,0,0,0,0|2,0,1]=4 46 B5R0.1 C#CC[C@H](C)O F16209 [0,1,0,0,0,0|1,0,1]=3 47 B5R0.1 CC#CC(C)C D91299 [0,1,0,0,0,0|2,0,1]=4 48 B5R0.1 CC(=O)CCN 89829 [0,1,0,0,0,0|2,0,0]=3 49 B5R0.1 CC(=O)\C=N\O 34785 [0,1,0,0,0,0|2,0,1]=4 50 B5R0.1 CC(C)=CCCl D89386 [0,1,0,0,0,0|2,0,1]=4 51 B5R0.1 CC(C)CCCl D89213 [0,1,0,0,0,0|2,0,0]=3 52 B5R0.1 CC(C)CCI D91070 [0,1,0,0,0,0|2,0,0]=3 53 B5R0.1 CC(C)CCN D91075 [0,1,0,0,0,0|2,0,0]=3 54 B5R0.1 CC(C)CCS D91090 [0,1,0,0,0,0|1,1,0]=3 55 B5R0.1 CCC=C(C)C D91353 [0,1,0,0,0,0|2,0,1]=4 56 B5R0.1 CCOC(C)=S 28959 [0,1,0,0,0,0|3,0,0]=4 57 B5R0.1 CCOC(C)C D90509 [0,1,0,0,0,0|3,0,0]=4 58 B5R0.1 CCSC(C)C D90463 [0,1,0,0,0,0|3,0,0]=4 59 B5R0.1 CN(C)CC=O D82969 [0,1,0,0,0,0|1,0,2]=4 60 B5R0.1 CN(C)CC=O D87734 [0,1,0,0,0,0|1,0,2]=4 61 B5R0.1 CN(C)CCCl D88148 [0,1,0,0,0,0|2,0,0]=3 62 B5R0.1 CN(C)CCO A11060 [0,1,0,0,0,0|1,0,0]=2 63 B5R0.1 COC[C@H](C)N 88101 [0,1,0,0,0,0|1,1,0]=3 64 B5R0.1 COC[C@H](C)O E72455 [0,1,0,0,0,0|0,1,0]=2 65 B5R0.1 CSC=[N+](C)C D90276 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.1 C[C@H](O)CCN C80087 [0,1,0,0,0,0|2,0,0]=3 67 B5R0.1 C\C(Cl)=C/CCl D89634 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.1 C\C=C\C(C)C D91327 [0,1,0,0,0,0|2,0,1]=4 69 B5R0.1 NC(=O)CCCl S12033 [0,1,0,0,0,0|3,0,0]=4 70 B5R0.1 NOCC(=O)O AT14480 [0,1,0,0,0,0|1,1,1]=4 71 B5R0.2 C#CCCC#N 74906 [0,1,0,0,0,0|2,0,1]=4 72 B5R0.2 C=CCCC=C F14840 [0,1,0,0,0,0|2,0,1]=4 73 B5R0.2 C=CCOCC D88369 [0,1,0,0,0,0|1,1,1]=4 74 B5R0.2 C=CC\C=C\C F19222 [0,1,0,0,0,0|2,0,1]=4 75 B5R0.2 C=COCCC A10930 [0,1,0,0,0,0|1,1,1]=4 76 B5R0.2 C=COCCCl D89212 [0,1,0,0,0,0|1,1,1]=4 77 B5R0.2 CC#CCCC D90866 [0,1,0,0,0,0|2,0,0]=3 78 B5R0.2 CC#CCCO D92016 [0,1,0,0,0,0|1,0,0]=2 79 B5R0.2 CCC#CCC D90867 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.2 CCC#CCCl T72112 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.2 CCCCC#N 28441 [0,1,0,0,0,0|2,0,0]=3 82 B5R0.2 CCCCCI D91072 [0,1,0,0,0,0|2,0,0]=3 83 B5R0.2 CCCCOC D91343 [0,1,0,0,0,0|1,0,0]=2 84 B5R0.2 CCCCSC T71148 [0,1,0,0,0,0|1,0,0]=2 85 B5R0.2 CCCC[NH2+]C D91287 [0,1,0,0,0,0|2,0,0]=3 86 B5R0.2 CCCN=C=S D91136 [0,1,0,0,0,0|1,1,1]=4 87 B5R0.2 CCCOCC D90426 [0,1,0,0,0,0|1,1,0]=3 88 B5R0.2 CCCSCC H10827 [0,1,0,0,0,0|1,0,0]=2 89 B5R0.2 CCCSSC D91531 [0,1,0,0,0,0|1,0,0]=2 90 B5R0.2 CCC\C=N/O D88680 [0,1,0,0,0,0|1,0,1]=3 91 B5R0.2 CCOCCBr D95434 [0,1,0,0,0,0|1,1,0]=3 92 B5R0.2 CCOCC[NH3+] D90462 [0,1,0,0,0,0|1,1,0]=3 93 B5R0.2 CC[Se][Se]CC T71152 [0,1,0,0,0,0|2,1,0]=4 94 B5R0.2 CC\C=C/CC D90855 [0,1,0,0,0,0|2,0,1]=4 95 B5R0.2 CC\C=C/CO 23141 [0,1,0,0,0,0|1,0,1]=3 96 B5R0.2 CC\C=C\CC D82999 [0,1,0,0,0,0|2,0,1]=4 97 B5R0.2 CSCCC=O A10691 [0,1,0,0,0,0|0,0,1]=2 98 B5R0.2 C\C=C/OCC D90589 [0,1,0,0,0,0|2,0,1]=4 99 B5R0.2 C\C=C\CCC D90853 [0,1,0,0,0,0|2,0,0]=3 100 B5R0.2 ClC\C=C/CCl D72448 [0,1,0,0,0,0|2,0,1]=4 101 B5R0.2 N#CCCCO D77639 [0,1,0,0,0,0|1,0,1]=3 102 B5R0.2 NCC#CCCl AT17756 [0,1,0,0,0,0|2,0,1]=4 103 B5R0.2 NOC\C=C\Cl C16845 [0,1,0,0,0,0|2,0,1]=4 104 B5R0.2 S=C=NCCCl D89498 [0,1,0,0,0,0|2,0,1]=4 105 B5R0.2 SCCCCS D88698 [0,1,0,0,0,0|1,1,0]=3 106 B5R0.3 C=C[C@@H](C)CC D91359 [0,1,0,0,0,0|2,0,1]=4 107 B5R0.3 CC[C@H](C)CCl D89366 [0,1,0,0,0,0|2,0,0]=3 108 B5R0.3 CC[C@H](C)OC D88882 [0,1,0,0,0,0|1,1,0]=3 109 B5R0.3 CC[C@H](Cl)CCl D89631 [0,1,0,0,0,0|2,0,0]=3 110 B5R0.3 CC[C@H](S)CS D89045 [0,1,0,0,0,0|1,1,0]=3 111 B5R0.3 CC\C(N)=N\O V10166 [0,1,0,0,0,0|2,0,1]=4 112 B5R0.3 COC(=O)CF F11448 [0,1,0,0,0,0|1,1,1]=4 113 B5R0.3 COC(C)OC D89692 [0,1,0,0,0,0|2,1,0]=4 114 B5R0.3 C[C@@H](CO)CBr D76160 [0,1,0,0,0,0|2,0,0]=3 115 B5R0.3 C\C=C(/C)CC D91312 [0,1,0,0,0,0|2,0,1]=4 116 B5R0.3 C\C=C(\C)CC T73073 [0,1,0,0,0,0|2,0,1]=4 117 B5R0.3 ClC[C@H](Br)CBr D89298 [0,1,0,0,0,0|3,0,0]=4 118 B5R0.3 N#C[C@@H](Br)CBr F17522 [0,1,0,0,0,0|3,0,0]=4 119 B5R0.3 N=C(CO)NO D75090 [0,1,0,0,0,0|2,0,1]=4 120 B5R0.3 OC(CF)CF 96887 [0,1,0,0,0,0|3,0,0]=4 121 B5R0.3 O[C@@H](CF)CCl 94770 [0,1,0,0,0,0|3,0,0]=4 122 B5R1.2 OC1CNC1 S11377 [0,0,0,1,0,0|1,0,0]=2 123 B5R1.3 CC[C@H]1CO1 D89036 [0,0,0,1,0,0|1,0,0]=2 124 B5R1.3 FC[C@H]1CO1 AT22387 [0,0,0,1,0,0|1,1,0]=3 125 B5R1.3 NCC1CC1 AT12997 [0,0,0,1,0,0|2,0,0]=3 126 B5R1.3 OCC1CC1 F10303 [0,0,0,1,0,0|1,0,0]=2 127 B5R1.4 C[C@@H]1O[C@@H]1C D85879 [0,0,0,1,0,0|3,0,0]=4 128 B2R0.1 CC[O-] F19542 [2,0,0,0,0,0|0,0,1]=3 129 B2R0.1 CC[O-] H12076 [2,0,0,0,0,0|0,0,1]=3 130 B2R0.1 CNC D90364 [2,0,0,0,0,0|1,0,0]=3 131 B2R0.1 CSC D89934 [2,0,0,0,0,0|0,0,0]=2 132 B2R0.1 C[Se]C T71107 [2,0,0,0,0,0|0,1,0]=3 133 B2R0.1 N#CO D91614 [2,0,0,0,0,0|1,0,1]=4 134 B2R0.1 N#CS D90694 [2,0,0,0,0,0|1,0,1]=4 135 B2R0.1 N#CS T72712 [2,0,0,0,0,0|1,0,1]=4 136 B4R0.1 BrCC(Br)Br D92392 [1,1,0,0,0,0|2,0,0]=4 137 B4R0.1 C#C[C@H](C)Cl T70555 [1,1,0,0,0,0|1,0,1]=4 138 B4R0.1 C#C[C@H](C)N AB10370 [1,1,0,0,0,0|1,0,1]=4 139 B4R0.1 C=C(C)CC D91286 [1,1,0,0,0,0|1,0,0]=3 140 B4R0.1 C=C(C)OC D91123 [1,1,0,0,0,0|0,1,1]=4 141 B4R0.1 C=C[C@H](C)Cl F11733 [1,1,0,0,0,0|1,0,1]=4 142 B4R0.1 CC(=O)CO S12357 [1,1,0,0,0,0|0,0,1]=3 143 B4R0.1 CC(=O)C[Hg+] C16200 [1,1,0,0,0,0|1,0,1]=4 144 B4R0.1 CC(C)CI H11266 [1,1,0,0,0,0|1,0,0]=3 145 B4R0.1 CC(C)CN D91216 [1,1,0,0,0,0|1,0,0]=3 146 B4R0.1 CC(C)NO AT14836 [1,1,0,0,0,0|1,0,0]=3 147 B4R0.1 CCC(=O)Br D91967 [1,1,0,0,0,0|0,0,2]=4 148 B4R0.1 CC[C@H](C)N D86790 [1,1,0,0,0,0|1,0,0]=3 149 B4R0.1 CC[Si](Cl)Cl D89935 [1,1,0,0,0,0|1,1,0]=4 150 B4R0.1 CSC(C)C D91165 [1,1,0,0,0,0|0,0,0]=2 151 B4R0.1 CS[S+](C)C T71091 [1,1,0,0,0,0|1,0,0]=3 152 B4R0.1 C[C@H](O)CBr D73281 [1,1,0,0,0,0|1,0,0]=3 153 B4R0.1 C[C@H](O)CN D91104 [1,1,0,0,0,0|1,0,0]=3 154 B4R0.1 C\C=C(/C)Br D88804 [1,1,0,0,0,0|1,0,1]=4 155 B4R0.1 C\C=C(/C)Cl T70927 [1,1,0,0,0,0|1,0,1]=4 156 B4R0.1 C\C=C(\C)Cl T70584 [1,1,0,0,0,0|1,0,1]=4 157 B4R0.1 O=C(O)CI H11974 [1,1,0,0,0,0|1,0,1]=4 158 B4R0.1 O=C([O-])CO D90726 [1,1,0,0,0,0|0,1,1]=4 159 B6R0.1 C#CC[C@@H](O)CC D90880 [0,2,0,0,0,0|1,0,1]=4 160 B6R0.1 C#C[C@@H](O)CCC D90806 [0,2,0,0,0,0|1,0,0]=3 161 B6R0.1 C=CC[C@@H](C)CC D91307 [0,2,0,0,0,0|2,0,0]=4 162 B6R0.1 C=CC[C@H](O)C=C F17450 [0,2,0,0,0,0|1,0,1]=4 163 B6R0.1 CCC[C@@H](C)CC D91320 [0,2,0,0,0,0|2,0,0]=4 164 B6R0.1 CCC[C@@H](O)CC F16582 [0,2,0,0,0,0|1,0,0]=3 165 B6R0.1 CCC[C@H](N)CO A10465 [0,2,0,0,0,0|1,0,0]=3 166 B6R0.1 CCC[C@H](N)CO A10469 [0,2,0,0,0,0|1,0,0]=3 167 B6R0.1 CCC\C(N)=N\O F10437 [0,2,0,0,0,0|1,0,1]=4 168 B6R0.1 CCO[C@@H](Cl)CCl D89636 [0,2,0,0,0,0|1,1,0]=4 169 B6R0.1 CCSC(=O)CC D90578 [0,2,0,0,0,0|1,0,1]=4 170 B6R0.1 CC[C@H](C)CCO D91364 [0,2,0,0,0,0|1,0,0]=3 171 B6R0.1 CC[C@H](C)CCO T72450 [0,2,0,0,0,0|1,0,0]=3 172 B6R0.1 CC[S@](=O)CCCl D80955 [0,2,0,0,0,0|1,0,1]=4 173 B6R0.1 CNC(=O)CCN AT18765 [0,2,0,0,0,0|2,0,0]=4 174 B6R0.1 COC(=O)CCN D87779 [0,2,0,0,0,0|1,1,0]=4 175 B6R0.1 COC[C@H](C)OC D90270 [0,2,0,0,0,0|0,1,0]=3 176 B6R0.1 C[C@H](CO)CCN T71428 [0,2,0,0,0,0|1,0,0]=3 177 B6R0.1 C\C=C\[C@@H](C)CC D91310 [0,2,0,0,0,0|2,0,0]=4 178 B6R0.1 ClC[C@@H](Cl)CCBr D88839 [0,2,0,0,0,0|2,0,0]=4 179 B6R0.1 N#CC[C@H](O)CCl F20534 [0,2,0,0,0,0|2,0,0]=4 180 B6R0.2 C=C(C)CC(C)C D89820 [0,2,0,0,0,0|2,0,0]=4 181 B6R0.2 CC(C)CC(C)C D89716 [0,2,0,0,0,0|2,0,0]=4 182 B6R0.2 CC(C)C[C@H](C)N N12044 [0,2,0,0,0,0|2,0,0]=4 183 B6R0.2 CC(C)C[C@H](C)O D97159 [0,2,0,0,0,0|1,0,0]=3 184 B6R0.2 CC(C)C[C@H](C)O D97160 [0,2,0,0,0,0|1,0,0]=3 185 B6R0.3 C=C(C)[C@@H](C)CC T70795 [0,2,0,0,0,0|2,0,0]=4 186 B6R0.3 CC(O)C(O)CO D88714 [0,2,0,0,0,0|1,0,0]=3 187 B6R0.3 CCC(C)C(C)O D91394 [0,2,0,0,0,0|1,0,0]=3 188 B6R0.3 CC[C@H](C)C(C)=O 29434 [0,2,0,0,0,0|2,0,0]=4 189 B6R0.3 CC[C@H](C)C(C)C D89715 [0,2,0,0,0,0|2,0,0]=4 190 B6R0.3 CC[C@H](Cl)C(=O)O T70777 [0,2,0,0,0,0|1,0,1]=4 191 B6R0.3 CC[C@H](Cl)C(=O)O T71033 [0,2,0,0,0,0|1,0,1]=4 192 B6R0.3 CC[C@H](N)C(=O)O 25311 [0,2,0,0,0,0|1,0,1]=4 193 B6R0.3 CC[C@H](S)C(C)=O D91570 [0,2,0,0,0,0|2,0,0]=4 194 B6R0.3 CN[C@@H](C)C(=O)O AT16587 [0,2,0,0,0,0|1,0,1]=4 195 B6R0.3 CN[C@@H](C)C(=O)O FD21048 [0,2,0,0,0,0|1,0,1]=4 196 B6R0.3 CN[C@@H](C)C(C)C D77563 [0,2,0,0,0,0|2,0,0]=4 197 B6R0.3 CS[C@@H](C)C(C)=O D91444 [0,2,0,0,0,0|0,0,2]=4 198 B6R0.3 O=C([O-])C(O)CO D90733 [0,2,0,0,0,0|2,0,0]=4 199 B6R0.4 C#CCCC(C)C D91300 [0,2,0,0,0,0|2,0,0]=4 200 B6R0.4 C#CCSC(C)=O AT19938 [0,2,0,0,0,0|1,0,1]=4 201 B6R0.4 C=C(C)CCCC D91349 [0,2,0,0,0,0|2,0,0]=4 202 B6R0.4 C=CCCB(O)O AT21524 [0,2,0,0,0,0|1,0,1]=4 203 B6R0.4 C=CCCC(=C)C D91319 [0,2,0,0,0,0|2,0,0]=4 204 B6R0.4 C=CCCC(C)=O D90803 [0,2,0,0,0,0|2,0,0]=4 205 B6R0.4 C=CCCC(C)C D91308 [0,2,0,0,0,0|2,0,0]=4 206 B6R0.4 CC(=O)NCCCl 57501 [0,2,0,0,0,0|2,0,0]=4 207 B6R0.4 CC(=O)SCC#N W15790 [0,2,0,0,0,0|1,0,1]=4 208 B6R0.4 CC(C)CCC#N F17038 [0,2,0,0,0,0|2,0,0]=4 209 B6R0.4 CC(C)NCCN D91135 [0,2,0,0,0,0|2,0,0]=4 210 B6R0.4 CC(C)OCCN AT12492 [0,2,0,0,0,0|1,1,0]=4 211 B6R0.4 CC(C)SCCN AT25564 [0,2,0,0,0,0|1,0,0]=3 212 B6R0.4 CC(C)SCCO D91113 [0,2,0,0,0,0|0,0,0]=2 213 B6R0.4 CCCC=C(C)C T72209 [0,2,0,0,0,0|2,0,0]=4 214 B6R0.4 CCCCC(=O)Br D92781 [0,2,0,0,0,0|1,0,1]=4 215 B6R0.4 CCCCC(C)C D91294 [0,2,0,0,0,0|2,0,0]=4 216 B6R0.4 CCCC[C@H](C)Br D88771 [0,2,0,0,0,0|2,0,0]=4 217 B6R0.4 CCCC[C@H](C)Cl D89320 [0,2,0,0,0,0|2,0,0]=4 218 B6R0.4 CCCC[C@H](C)N A12776 [0,2,0,0,0,0|2,0,0]=4 219 B6R0.4 CCCC[C@H](C)O D97165 [0,2,0,0,0,0|1,0,0]=3 220 B6R0.4 CCCC[C@H](C)O D97166 [0,2,0,0,0,0|1,0,0]=3 221 B6R0.4 CCCSC(C)C D92018 [0,2,0,0,0,0|1,0,0]=3 222 B6R0.4 CCNC[C@H](C)O D90604 [0,2,0,0,0,0|1,0,0]=3 223 B6R0.4 CN(C)CCC#N D89696 [0,2,0,0,0,0|2,0,0]=4 224 B6R0.4 CN(C)CCCBr D87723 [0,2,0,0,0,0|2,0,0]=4 225 B6R0.4 CN(C)CCCCl D77998 [0,2,0,0,0,0|2,0,0]=4 226 B6R0.4 CN(C)CCCN D90413 [0,2,0,0,0,0|2,0,0]=4 227 B6R0.4 CNCCC(C)C D72652 [0,2,0,0,0,0|2,0,0]=4 228 B6R0.4 CSCCC(=O)Cl D91387 [0,2,0,0,0,0|0,0,1]=3 229 B6R0.4 C\C=C\CC(C)C D91309 [0,2,0,0,0,0|2,0,0]=4 230 B6R0.5 C=CCC(C)(C)O F13463 [0,2,0,0,0,0|1,0,1]=4 231 B6R0.5 CC(C)(C)CCN F17089 [0,2,0,0,0,0|2,0,0]=4 232 B6R0.5 CC(C)(C)CCN W10831 [0,2,0,0,0,0|2,0,0]=4 233 B6R0.5 CC(C)(N)CCO AC5985 [0,2,0,0,0,0|1,0,0]=3 234 B6R0.5 CCCC(C)(C)O D91458 [0,2,0,0,0,0|1,0,0]=3 235 B6R0.5 CCC[Si](C)(C)Cl D89889 [0,2,0,0,0,0|2,0,0]=4 236 B6R0.5 CCC[Si](C)(Cl)Cl D90409 [0,2,0,0,0,0|2,0,0]=4 237 B6R0.6 C#CCCCCC 75208 [0,2,0,0,0,0|2,0,0]=4 238 B6R0.6 C#CCCCCCl 79326 [0,2,0,0,0,0|2,0,0]=4 239 B6R0.6 C#CCOCCN AT12489 [0,2,0,0,0,0|1,1,0]=4 240 B6R0.6 C=CCCCCC D90784 [0,2,0,0,0,0|2,0,0]=4 241 B6R0.6 C=CCC\C=C\C T71838 [0,2,0,0,0,0|2,0,0]=4 242 B6R0.6 C=CCSCCC F13976 [0,2,0,0,0,0|1,0,0]=3 243 B6R0.6 CC#CCCCC D90868 [0,2,0,0,0,0|2,0,0]=4 244 B6R0.6 CCC#CCCBr D86950 [0,2,0,0,0,0|2,0,0]=4 245 B6R0.6 CCCCCC#N D90798 [0,2,0,0,0,0|2,0,0]=4 246 B6R0.6 CCCCCCN D91063 [0,2,0,0,0,0|2,0,0]=4 247 B6R0.6 CCCCCC[Mg+] D78455 [0,2,0,0,0,0|2,0,0]=4 248 B6R0.6 CCCCCNN AC4196 [0,2,0,0,0,0|2,0,0]=4 249 B6R0.6 CCCCCSC D88262 [0,2,0,0,0,0|1,0,0]=3 250 B6R0.6 CCCCOCC D88684 [0,2,0,0,0,0|1,0,0]=3 251 B6R0.6 CCCC\C=C\I AT25371 [0,2,0,0,0,0|2,0,0]=4 252 B6R0.6 CCCOCCC D91968 [0,2,0,0,0,0|1,1,0]=4 253 B6R0.6 CCCOCCN D88415 [0,2,0,0,0,0|1,1,0]=4 254 B6R0.6 CCCSCCC D91969 [0,2,0,0,0,0|1,0,0]=3 255 B6R0.6 CCCSCCO D92003 [0,2,0,0,0,0|0,0,0]=2 256 B6R0.6 CCC\C=C/CO D90941 [0,2,0,0,0,0|1,0,0]=3 257 B6R0.6 CC\C=C\CCC D90967 [0,2,0,0,0,0|2,0,0]=4 258 B6R0.6 COCCCNN AC7433 [0,2,0,0,0,0|1,1,0]=4 259 B6R0.6 COCCCOC D87951 [0,2,0,0,0,0|0,1,0]=3 260 B6R0.6 CSCCCC#N D86288 [0,2,0,0,0,0|1,0,0]=3 261 B6R0.6 C\C=C/CCCC D90859 [0,2,0,0,0,0|2,0,0]=4 262 B6R0.6 C\C=C/CCCO D90944 [0,2,0,0,0,0|1,0,0]=3 263 B6R0.6 C\C=C\CCCC D90785 [0,2,0,0,0,0|2,0,0]=4 264 B6R0.6 C\C=C\CCCO D71247 [0,2,0,0,0,0|1,0,0]=3 265 B6R0.6 ClCCCCCCl D89643 [0,2,0,0,0,0|2,0,0]=4 266 B6R0.6 N#CCCCCO D77640 [0,2,0,0,0,0|1,0,0]=3 267 B6R0.6 NCCCCCN 24563 [0,2,0,0,0,0|2,0,0]=4 268 B6R0.6 NCCSCCN AT25574 [0,2,0,0,0,0|1,0,0]=3 269 B6R0.6 NOCCCON AT25379 [0,2,0,0,0,0|1,1,0]=4 270 B6R0.6 SCCOCCS AT13657 [0,2,0,0,0,0|0,2,0]=4 271 B6R0.8 CCC(C)(O)CC F16452 [0,2,0,0,0,0|2,0,0]=4 272 B6R0.9 CCC(CC)CC D90425 [0,2,0,0,0,0|2,0,0]=4 273 B6R0.9 CCC(CC)NC F11986 [0,2,0,0,0,0|2,0,0]=4 274 B6R0.9 CC[C@@H](CO)OC D91512 [0,2,0,0,0,0|0,1,0]=3 275 B6R0.9 CSC(SC)SC D86362 [0,2,0,0,0,0|2,0,0]=4 276 B4R1.1 C1COC1 D92348 [1,0,0,1,0,0|0,0,0]=2 277 B4R1.1 C1CSC1 D92349 [1,0,0,1,0,0|0,0,0]=2 278 B4R1.2 NC1CC1 AT18321 [1,0,0,1,0,0|1,0,0]=3 279 B6R1.2 C=C1CCCC1 D91403 [0,1,0,1,0,0|2,0,0]=4 280 B6R1.2 CC1=CCCC1 A10734 [0,1,0,1,0,0|2,0,0]=4 281 B6R1.2 CC1OCCO1 D91291 [0,1,0,1,0,0|0,1,0]=3 282 B6R1.2 C[C@H]1CCCN1 W10111 [0,1,0,1,0,0|2,0,0]=4 283 B6R1.2 C[C@H]1COCO1 D91404 [0,1,0,1,0,0|0,1,0]=3 284 B6R1.2 NC1=NCCS1 D88358 [0,1,0,1,0,0|1,0,1]=4 285 B6R1.2 O=C1CCCS1 W15445 [0,1,0,1,0,0|1,0,1]=4 286 B6R1.2 OC1CCCC1 25002 [0,1,0,1,0,0|1,0,0]=3 287 B6R1.2 O[C@H]1CCNC1 O12064 [0,1,0,1,0,0|1,0,0]=3 288 B6R1.2 [Mg+]C1CCCC1 FD10627 [0,1,0,1,0,0|2,0,0]=4 289 B6R1.3 CCC[C@H]1CO1 D90574 [0,1,0,1,0,0|1,0,0]=3 290 B6R1.3 CSC[C@H]1CO1 F19305 [0,1,0,1,0,0|0,0,0]=2 291 B6R1.8 CC1CC1CO 73978 [0,1,0,1,0,0|1,0,0]=3 292 B6R1.1 C1CCOCC1 H11250 [0,1,0,1,0,0|1,0,0]=3 293 B6R1.1 C1CNCCN1 D91965 [0,1,0,1,0,0|2,0,0]=4 294 B6R1.1 C1COCCO1 D88955 [0,1,0,1,0,0|0,1,0]=3 295 B6R1.1 C1COCOC1 D89730 [0,1,0,1,0,0|0,1,0]=3 296 B6R1.6 COC1CNC1 63505 [0,1,0,1,0,0|1,0,0]=3 297 B6R1.6 CSC1CNC1 P11945 [0,1,0,1,0,0|1,0,0]=3 298 B6R1.6 NCC1CNC1 F53083 [0,1,0,1,0,0|2,0,0]=4