0 B4R0.2 BrCCCBr SBB060203 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.2 CCCCBr SBB059930 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.2 CNCC#N SBB071612 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 CNCCI SBB071605 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.2 COCCBr SBB007906 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.2 C\C=C\CC SBB059879 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.2 ClCCCBr SBB058669 [0,0,0,0,0,0|2,0,0]=2 7 B4R0.2 ClCCCCl SBB040918 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.2 Cl\C=C/CCl SBB061393 [0,0,0,0,0,0|2,0,2]=4 9 B4R0.2 OCCCBr SBB054750 [0,0,0,0,0,0|1,1,0]=2 10 B4R0.2 [NH2+](CC)CC SBB059849 [0,0,0,0,0,0|3,0,0]=3 11 B3R0.1 BrCCBr SBB040806 [1,0,0,0,0,0|2,0,0]=3 12 B3R0.1 C=CCBr SBB059929 [1,0,0,0,0,0|1,0,2]=4 13 B3R0.1 CCCBr SBB040931 [1,0,0,0,0,0|1,0,0]=2 14 B3R0.1 C\C=C\Cl SBB059896 [1,0,0,0,0,0|1,0,2]=4 15 B3R0.1 ClCCCl SBB040805 [1,0,0,0,0,0|2,0,0]=3 16 B3R0.1 N#CCBr SBB066988 [1,0,0,0,0,0|2,0,1]=4 17 B3R0.1 N#CCN SBB065784 [1,0,0,0,0,0|2,0,1]=4 18 B3R0.1 NCCBr SBB005857 [1,0,0,0,0,0|2,0,0]=3 19 B3R0.1 NCCCl SBB005775 [1,0,0,0,0,0|2,0,0]=3 20 B3R0.1 OCCBr SBB058668 [1,0,0,0,0,0|1,1,0]=3 21 B3R0.1 [NH3+]CCBr SBB060242 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CC(C)CCBr SBB061181 [0,1,0,0,0,0|2,0,0]=3 23 B5R0.1 CC(C)CCO SBB060162 [0,1,0,0,0,0|1,1,0]=3 24 B5R0.1 CC(C)CNN SBB042741 [0,1,0,0,0,0|3,0,0]=4 25 B5R0.1 CCCC(=O)Cl SBB040624 [0,1,0,0,0,0|1,1,1]=4 26 B5R0.1 CN(C)CCBr SBB073020 [0,1,0,0,0,0|3,0,0]=4 27 B5R0.1 CN(C)CCN SBB007533 [0,1,0,0,0,0|3,0,0]=4 28 B5R0.1 CS(=O)CCN SBB050811 [0,1,0,0,0,0|2,1,0]=4 29 B5R0.1 O=C(O)CCBr SBB065770 [0,1,0,0,0,0|1,1,1]=4 30 B5R0.1 O=C(O)CCCl SBB069140 [0,1,0,0,0,0|1,1,1]=4 31 B5R0.1 [NH+](C)(C)CCCl SBB057087 [0,1,0,0,0,0|3,0,0]=4 32 B5R0.2 BrCCCCBr SBB060204 [0,1,0,0,0,0|2,0,0]=3 33 B5R0.2 BrC\C=C\CBr SBB059946 [0,1,0,0,0,0|2,0,1]=4 34 B5R0.2 C=COCCCl SBB061485 [0,1,0,0,0,0|2,0,1]=4 35 B5R0.2 C=COCCN SBB072719 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.2 CC#CCCO SBB009118 [0,1,0,0,0,0|1,1,1]=4 37 B5R0.2 CCC#CCO SBB009120 [0,1,0,0,0,0|1,1,1]=4 38 B5R0.2 CCCCCBr SBB059933 [0,1,0,0,0,0|2,0,0]=3 39 B5R0.2 CCCCCCl SBB059951 [0,1,0,0,0,0|2,0,0]=3 40 B5R0.2 CCCN=C=S SBB060984 [0,1,0,0,0,0|1,0,2]=4 41 B5R0.2 CCNNCC SBB069584 [0,1,0,0,0,0|3,0,0]=4 42 B5R0.2 CCOCCBr SBB008332 [0,1,0,0,0,0|2,0,0]=3 43 B5R0.2 CCOCCCl SBB061015 [0,1,0,0,0,0|2,0,0]=3 44 B5R0.2 CCOCCN SBB072161 [0,1,0,0,0,0|2,0,0]=3 45 B5R0.2 CCSCCN SBB017894 [0,1,0,0,0,0|2,0,0]=3 46 B5R0.2 CNCCCN SBB059823 [0,1,0,0,0,0|2,0,0]=3 47 B5R0.2 CSCCCO SBB056451 [0,1,0,0,0,0|0,1,0]=2 48 B5R0.2 ClC\C=C\CCl SBB060216 [0,1,0,0,0,0|2,0,1]=4 49 B5R0.2 FCCCCBr SBB087044 [0,1,0,0,0,0|2,0,0]=3 50 B5R0.2 N#CCCCBr SBB054746 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.2 N#CCCCCl SBB061739 [0,1,0,0,0,0|2,0,0]=3 52 B5R0.2 NCCCCN SBB059998 [0,1,0,0,0,0|2,0,0]=3 53 B5R0.2 O=C=NCCCl SBB054898 [0,1,0,0,0,0|1,1,1]=4 54 B5R0.2 OCCCCCl SBB002444 [0,1,0,0,0,0|1,1,0]=3 55 B5R0.3 C=C(CCl)CCl SBB061694 [0,1,0,0,0,0|2,0,1]=4 56 B5R0.3 C=CC(Cl)CCl SBB060215 [0,1,0,0,0,0|2,0,1]=4 57 B5R0.3 C=CC(O)CBr SBB007652 [0,1,0,0,0,0|2,0,1]=4 58 B5R0.3 CCC(C)CBr SBB007669 [0,1,0,0,0,0|2,0,0]=3 59 B5R0.3 CCC(Cl)CCl SBB060453 [0,1,0,0,0,0|2,0,0]=3 60 B5R0.3 CCC(N)CC SBB000050 [0,1,0,0,0,0|2,0,0]=3 61 B5R0.3 CCC(N)CC SBB071911 [0,1,0,0,0,0|2,0,0]=3 62 B5R0.3 ClCC(Cl)CCl SBB060982 [0,1,0,0,0,0|2,0,0]=3 63 B5R0.3 N#CC(Cl)CCl SBB067119 [0,1,0,0,0,0|2,0,1]=4 64 B5R0.3 OC(CCl)CCl SBB060190 [0,1,0,0,0,0|2,0,0]=3 65 B5R0.3 OCC(O)CCl SBB060480 [0,1,0,0,0,0|1,1,0]=3 66 B5R1.1 C1CSCN1 SBB111928 [0,0,0,1,0,0|2,0,0]=3 67 B5R1.2 OC1CNC1 SBB056270 [0,0,0,1,0,0|2,1,0]=4 68 B5R1.3 BrCC1CC1 SBB054967 [0,0,0,1,0,0|2,0,0]=3 69 B5R1.3 NCC1CC1 SBB047771 [0,0,0,1,0,0|2,0,0]=3 70 B5R1.3 OCC1CC1 SBB059473 [0,0,0,1,0,0|1,1,0]=3 71 B2R0.1 CCBr SBB040912 [2,0,0,0,0,0|1,0,0]=3 72 B2R0.1 ONC SBB005850 [2,0,0,0,0,0|1,1,0]=4 73 B4R0.1 CC(Br)CBr SBB060202 [1,1,0,0,0,0|1,0,0]=3 74 B4R0.1 CC(Br)CCl SBB061477 [1,1,0,0,0,0|1,0,0]=3 75 B4R0.1 CC(C)CBr SBB059932 [1,1,0,0,0,0|1,0,0]=3 76 B4R0.1 CC(C)NN SBB002129 [1,1,0,0,0,0|2,0,0]=4 77 B4R0.1 CC(Cl)CCl SBB059979 [1,1,0,0,0,0|1,0,0]=3 78 B4R0.1 CCC(C)Br SBB059931 [1,1,0,0,0,0|1,0,0]=3 79 B4R0.1 CCN(C)N SBB107453 [1,1,0,0,0,0|2,0,0]=4 80 B4R0.1 ClC(Br)CBr SBB059976 [1,1,0,0,0,0|2,0,0]=4 81 B4R0.1 NCC(F)F SBB009831 [1,1,0,0,0,0|2,0,0]=4 82 B4R0.1 OCC(F)F SBB021966 [1,1,0,0,0,0|1,1,0]=4 83 B6R0.1 C#CC(O)CCC SBB067434 [0,2,0,0,0,0|1,1,0]=4 84 B6R0.1 CCC(O)COC SBB072708 [0,2,0,0,0,0|1,1,0]=4 85 B6R0.1 CCCC(=O)CC SBB061496 [0,2,0,0,0,0|2,0,0]=4 86 B6R0.1 CCCC(C)CO SBB061282 [0,2,0,0,0,0|1,1,0]=4 87 B6R0.1 CCCC(O)CC SBB061363 [0,2,0,0,0,0|1,1,0]=4 88 B6R0.1 CCNC(C)CO SBB046531 [0,2,0,0,0,0|1,1,0]=4 89 B6R0.1 CNC(C)CCO SBB046542 [0,2,0,0,0,0|1,1,0]=4 90 B6R0.1 COCC(O)CN SBB051203 [0,2,0,0,0,0|1,1,0]=4 91 B6R0.1 OC(CBr)CCBr SBB007842 [0,2,0,0,0,0|1,1,0]=4 92 B6R0.2 CC(C)CC(C)Br SBB007950 [0,2,0,0,0,0|2,0,0]=4 93 B6R0.2 CC(C)CC(C)O SBB061337 [0,2,0,0,0,0|1,1,0]=4 94 B6R0.3 CCC(C)C(C)C SBB061452 [0,2,0,0,0,0|2,0,0]=4 95 B6R0.4 CC(C)NCCN SBB048119 [0,2,0,0,0,0|2,0,0]=4 96 B6R0.4 CC(C)NCCO SBB056428 [0,2,0,0,0,0|1,1,0]=4 97 B6R0.4 CC(C)OCCN SBB301616 [0,2,0,0,0,0|2,0,0]=4 98 B6R0.4 CCCCC(=O)O SBB053585 [0,2,0,0,0,0|1,1,0]=4 99 B6R0.4 CCCCC(C)=O SBB061262 [0,2,0,0,0,0|1,1,0]=4 100 B6R0.4 CCCCC(C)O SBB061290 [0,2,0,0,0,0|1,1,0]=4 101 B6R0.4 CCCCC(N)=O SBB028169 [0,2,0,0,0,0|1,1,0]=4 102 B6R0.4 CCCCN(C)C SBB060243 [0,2,0,0,0,0|2,0,0]=4 103 B6R0.4 CCOCC(C)O SBB061006 [0,2,0,0,0,0|1,1,0]=4 104 B6R0.4 CN(C)CCCN SBB028177 [0,2,0,0,0,0|2,0,0]=4 105 B6R0.4 NCCCC(=O)O SBB028179 [0,2,0,0,0,0|1,1,0]=4 106 B6R0.4 NCCNC(=S)S SBB069239 [0,2,0,0,0,0|1,0,1]=4 107 B6R0.4 O=C(Cl)CCCCl SBB060894 [0,2,0,0,0,0|1,1,0]=4 108 B6R0.4 O=C(O)CCCBr SBB065986 [0,2,0,0,0,0|1,1,0]=4 109 B6R0.5 CC(C)(C)CCCl SBB059953 [0,2,0,0,0,0|2,0,0]=4 110 B6R0.5 CC(C)(C)CCN SBB059532 [0,2,0,0,0,0|2,0,0]=4 111 B6R0.5 CCCC(C)(C)N SBB052122 [0,2,0,0,0,0|2,0,0]=4 112 B6R0.5 FC(F)(F)CCBr SBB008495 [0,2,0,0,0,0|2,0,0]=4 113 B6R0.5 FC(F)(F)CCCl SBB072694 [0,2,0,0,0,0|2,0,0]=4 114 B6R0.5 NCCC(F)(F)Br SBB094383 [0,2,0,0,0,0|2,0,0]=4 115 B6R0.6 BrCCOCCBr SBB054744 [0,2,0,0,0,0|2,0,0]=4 116 B6R0.6 C#CCCCC#C SBB008772 [0,2,0,0,0,0|2,0,0]=4 117 B6R0.6 C#CCCCCC SBB067441 [0,2,0,0,0,0|2,0,0]=4 118 B6R0.6 C#CCCCCO SBB015110 [0,2,0,0,0,0|1,1,0]=4 119 B6R0.6 C#CCOCCO SBB067658 [0,2,0,0,0,0|1,1,0]=4 120 B6R0.6 C=CCCCCBr SBB054740 [0,2,0,0,0,0|2,0,0]=4 121 B6R0.6 C=CCCCCC SBB059882 [0,2,0,0,0,0|2,0,0]=4 122 B6R0.6 C=CCOCCO SBB060194 [0,2,0,0,0,0|1,1,0]=4 123 B6R0.6 CCCCCC#N SBB060051 [0,2,0,0,0,0|2,0,0]=4 124 B6R0.6 CCCCCCBr SBB059934 [0,2,0,0,0,0|2,0,0]=4 125 B6R0.6 CCCCCCCl SBB059952 [0,2,0,0,0,0|2,0,0]=4 126 B6R0.6 CCCCCCN SBB059984 [0,2,0,0,0,0|2,0,0]=4 127 B6R0.6 CCCCCCO SBB059899 [0,2,0,0,0,0|1,1,0]=4 128 B6R0.6 CCCCCOC SBB061300 [0,2,0,0,0,0|1,1,0]=4 129 B6R0.6 CCCCN=C=S SBB060985 [0,2,0,0,0,0|1,0,1]=4 130 B6R0.6 CCCCNC=O SBB060026 [0,2,0,0,0,0|1,1,0]=4 131 B6R0.6 CCCCOC=O SBB060300 [0,2,0,0,0,0|1,1,0]=4 132 B6R0.6 CCCCSC#N SBB056760 [0,2,0,0,0,0|1,0,0]=3 133 B6R0.6 CCCCSCC SBB061178 [0,2,0,0,0,0|1,0,0]=3 134 B6R0.6 CCCNCCC SBB059762 [0,2,0,0,0,0|2,0,0]=4 135 B6R0.6 CCCOCCO SBB061379 [0,2,0,0,0,0|1,1,0]=4 136 B6R0.6 CCCSCCC SBB061017 [0,2,0,0,0,0|2,0,0]=4 137 B6R0.6 CCCSCCO SBB058605 [0,2,0,0,0,0|1,1,0]=4 138 B6R0.6 CCNCCC#N SBB006528 [0,2,0,0,0,0|2,0,0]=4 139 B6R0.6 CCOCCC#N SBB067181 [0,2,0,0,0,0|2,0,0]=4 140 B6R0.6 CCOCCCN SBB028180 [0,2,0,0,0,0|1,1,0]=4 141 B6R0.6 CC\C=C/CCO SBB007739 [0,2,0,0,0,0|1,1,0]=4 142 B6R0.6 ClCCOCCCl SBB059969 [0,2,0,0,0,0|2,0,0]=4 143 B6R0.6 N#CCCCC#N SBB068303 [0,2,0,0,0,0|2,0,0]=4 144 B6R0.6 N#CCCCCCl SBB061418 [0,2,0,0,0,0|2,0,0]=4 145 B6R0.6 NCCCCCN SBB079706 [0,2,0,0,0,0|2,0,0]=4 146 B6R0.6 NCCNCCN SBB059776 [0,2,0,0,0,0|2,0,0]=4 147 B6R0.6 NCCNCCO SBB028183 [0,2,0,0,0,0|1,1,0]=4 148 B6R0.6 NCCOCCO SBB060906 [0,2,0,0,0,0|1,1,0]=4 149 B6R0.6 NCCSCCO SBB056468 [0,2,0,0,0,0|1,1,0]=4 150 B6R0.6 O=C=NCCCCl SBB068362 [0,2,0,0,0,0|1,1,0]=4 151 B6R0.6 OCCNCCO SBB059779 [0,2,0,0,0,0|0,2,0]=4 152 B6R0.6 OCCOCCCl SBB060189 [0,2,0,0,0,0|1,1,0]=4 153 B6R0.6 OCCSCCO SBB060117 [0,2,0,0,0,0|0,2,0]=4 154 B6R0.6 SCCOCCS SBB058846 [0,2,0,0,0,0|0,0,0]=2 155 B6R0.8 CC(C)(CN)CN SBB061381 [0,2,0,0,0,0|2,0,0]=4 156 B6R0.8 CC(C)(CN)CO SBB028181 [0,2,0,0,0,0|1,1,0]=4 157 B6R0.8 CC(C)(CO)CO SBB056814 [0,2,0,0,0,0|0,2,0]=4 158 B6R0.8 CCC(C)(O)CC SBB060948 [0,2,0,0,0,0|2,0,0]=4 159 B6R0.8 OCC(C)(CO)N SBB004360 [0,2,0,0,0,0|0,2,0]=4 160 B6R0.9 CCC(C=O)CC SBB059875 [0,2,0,0,0,0|2,0,0]=4 161 B6R0.9 CCC(CC)CBr SBB059935 [0,2,0,0,0,0|2,0,0]=4 162 B6R0.9 CCC(CC)CN SBB028171 [0,2,0,0,0,0|2,0,0]=4 163 B6R0.9 CCC(CC)CO SBB059900 [0,2,0,0,0,0|1,1,0]=4 164 B6R0.9 CCC(CN)OC SBB302370 [0,2,0,0,0,0|2,0,0]=4 165 B6R1.2 BrC1CCCC1 SBB040823 [0,1,0,1,0,0|2,0,0]=4 166 B6R1.2 F[C@H]1CCNC1 SBB085616 [0,1,0,1,0,0|2,0,0]=4 167 B6R1.2 N1CCC(N)C1 SBB027337 [0,1,0,1,0,0|2,0,0]=4 168 B6R1.2 NC1=NCCS1 SBB004361 [0,1,0,1,0,0|1,0,1]=4 169 B6R1.2 NC1CCCC1 SBB040467 [0,1,0,1,0,0|2,0,0]=4 170 B6R1.2 NC1CCNC1 SBB003982 [0,1,0,1,0,0|2,0,0]=4 171 B6R1.2 NN1CCCC1 SBB066760 [0,1,0,1,0,0|2,0,0]=4 172 B6R1.2 O=C1CCCC1 SBB040835 [0,1,0,1,0,0|1,1,0]=4 173 B6R1.2 O=C1CCCN1 SBB060296 [0,1,0,1,0,0|1,1,0]=4 174 B6R1.2 O=C1CCSC1 SBB007947 [0,1,0,1,0,0|0,1,1]=4 175 B6R1.2 OC1CCNC1 SBB056152 [0,1,0,1,0,0|1,1,0]=4 176 B6R1.2 O[C@H]1CCNC1 SBB004272 [0,1,0,1,0,0|1,1,0]=4 177 B6R1.2 O[C@H]1CCNC1 SBB027336 [0,1,0,1,0,0|1,1,0]=4 178 B6R1.2 O[C@H]1CCOC1 SBB062959 [0,1,0,1,0,0|0,2,0]=4 179 B6R1.2 SC1=NCCS1 SBB004290 [0,1,0,1,0,0|0,0,1]=3 180 B6R1.9 NC1CC1(F)F SBB085744 [0,1,0,1,0,0|2,0,0]=4 181 B6R1.10 CC1(N)CCC1 SBB072407 [0,1,0,1,0,0|2,0,0]=4 182 B6R1.11 CC(N)C1CC1 SBB027096 [0,1,0,1,0,0|2,0,0]=4 183 B6R1.1 C1=COCCC1 SBB060381 [0,1,0,1,0,0|1,1,0]=4 184 B6R1.1 C1CSCCN1 SBB056209 [0,1,0,1,0,0|1,0,0]=3 185 B6R1.1 C1CSCCO1 SBB060674 [0,1,0,1,0,0|1,0,0]=3 186 B6R1.1 C1CSCSC1 SBB061220 [0,1,0,1,0,0|0,0,0]=2 187 B6R1.1 C1SCSCS1 SBB056869 [0,1,0,1,0,0|1,0,0]=3 188 B6R1.6 BrCC1CCC1 SBB054975 [0,1,0,1,0,0|2,0,0]=4 189 B6R1.6 NCC1CCC1 SBB108847 [0,1,0,1,0,0|2,0,0]=4 190 B6R1.7 CC1(CCl)CO1 SBB054966 [0,1,0,1,0,0|1,1,0]=4 191 B6R1.7 CC1(CO)CC1 SBB084505 [0,1,0,1,0,0|1,1,0]=4