0 B4R0.1 CC(Br)CBr SBB060202 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 CC(Br)CCl SBB061477 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 CC(C)CBr SBB059932 [0,0,0,0,0,0|1,0,1]=2 3 B4R0.1 CC(C)NN SBB002129 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 CC(Cl)CCl SBB059979 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 CCC(C)Br SBB059931 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.1 CCN(C)N SBB107453 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 ClC(Br)CBr SBB059976 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 N#CC(Br)Br SBB069562 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 NCC(F)F SBB009831 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 OCC(F)F SBB021966 [0,0,0,0,0,0|2,0,2]=4 11 B3R0.1 BrCCBr SBB040806 [1,0,0,0,0,0|2,0,1]=4 12 B3R0.1 C=CCBr SBB059929 [1,0,0,0,0,0|2,0,0]=3 13 B3R0.1 CCCBr SBB040931 [1,0,0,0,0,0|1,0,1]=3 14 B3R0.1 C\C=C\Cl SBB059896 [1,0,0,0,0,0|1,0,1]=3 15 B3R0.1 ClCCCl SBB040805 [1,0,0,0,0,0|2,0,1]=4 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|2,0,1]=4 19 B3R0.1 NCCCl SBB005775 [1,0,0,0,0,0|2,0,1]=4 20 B3R0.1 OCCBr SBB058668 [1,0,0,0,0,0|1,0,2]=4 21 B3R0.1 [NH3+]CCBr SBB060242 [1,0,0,0,0,0|2,0,1]=4 22 B3R0.2 CC(C)Br SBB060452 [1,0,0,0,0,0|1,0,0]=2 23 B3R0.2 FC(F)I SBB089343 [1,0,0,0,0,0|3,0,0]=4 24 B3R0.2 NC(N)=O SBB008449 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CC(=O)N=S=O SBB059583 [0,1,0,0,0,0|2,0,1]=4 26 B5R0.1 CC(C)=CCBr SBB061690 [0,1,0,0,0,0|1,0,1]=3 27 B5R0.1 CC(C)CCBr SBB061181 [0,1,0,0,0,0|1,0,1]=3 28 B5R0.1 CC(C)CCO SBB060162 [0,1,0,0,0,0|0,0,2]=3 29 B5R0.1 CC(C)CNN SBB042741 [0,1,0,0,0,0|1,0,1]=3 30 B5R0.1 CC(C)N=C=O SBB046976 [0,1,0,0,0,0|0,0,1]=2 31 B5R0.1 CC(C)N=C=S SBB056455 [0,1,0,0,0,0|0,1,1]=3 32 B5R0.1 CC(C)SC#N SBB060088 [0,1,0,0,0,0|1,0,1]=3 33 B5R0.1 CN(C)CCBr SBB073020 [0,1,0,0,0,0|2,0,1]=4 34 B5R0.1 CN(C)CCN SBB007533 [0,1,0,0,0,0|2,0,1]=4 35 B5R0.1 C\C(Cl)=C\CN SBB301293 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.1 C\C(N)=C\C#N SBB002655 [0,1,0,0,0,0|2,0,1]=4 37 B5R0.1 [NH+](C)(C)CCCl SBB057087 [0,1,0,0,0,0|2,0,1]=4 38 B5R0.3 C#CC(O)C=C SBB009126 [0,1,0,0,0,0|2,0,1]=4 39 B5R0.3 C=CC(Cl)CCl SBB060215 [0,1,0,0,0,0|2,0,0]=3 40 B5R0.3 C=CC(O)CBr SBB007652 [0,1,0,0,0,0|2,0,0]=3 41 B5R0.3 CCC(C)CBr SBB007669 [0,1,0,0,0,0|1,0,1]=3 42 B5R0.3 CCC(Cl)CCl SBB060453 [0,1,0,0,0,0|2,0,1]=4 43 B5R0.3 CCC(N)CC SBB000050 [0,1,0,0,0,0|2,0,1]=4 44 B5R0.3 CCC(N)CC SBB071911 [0,1,0,0,0,0|2,0,1]=4 45 B5R0.3 ClCC(Cl)CCl SBB060982 [0,1,0,0,0,0|2,0,1]=4 46 B5R0.3 N#CC(Cl)CCl SBB067119 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.3 O=CC(Br)C=O SBB069441 [0,1,0,0,0,0|1,0,1]=3 48 B5R0.3 OC(CCl)CCl SBB060190 [0,1,0,0,0,0|2,0,1]=4 49 B5R0.3 OCC(O)CCl SBB060480 [0,1,0,0,0,0|1,0,2]=4 50 B5R0.4 C=CC(F)(F)Br SBB087186 [0,1,0,0,0,0|3,0,0]=4 51 B5R0.4 CC(C)(C)NO SBB056490 [0,1,0,0,0,0|1,0,1]=3 52 B5R0.4 CC(C)(N)C#N SBB043968 [0,1,0,0,0,0|1,0,1]=3 53 B5R0.4 NNC(C)(C)C SBB005864 [0,1,0,0,0,0|2,0,0]=3 54 B5R0.5 CC(=O)C(C)Cl SBB060958 [0,1,0,0,0,0|1,0,0]=2 55 B5R0.5 CC(=O)C(F)F SBB021370 [0,1,0,0,0,0|2,0,0]=3 56 B5R0.5 CC(=S)N(C)C SBB007924 [0,1,0,0,0,0|1,1,0]=3 57 B5R0.5 CC(Br)C(=O)O SBB060286 [0,1,0,0,0,0|1,0,0]=2 58 B5R0.5 CC(Br)C(Cl)Br SBB059977 [0,1,0,0,0,0|2,0,1]=4 59 B5R0.5 CC(Br)C(Cl)Cl SBB060490 [0,1,0,0,0,0|2,0,1]=4 60 B5R0.5 CC(C)C(=N)N SBB056456 [0,1,0,0,0,0|1,0,0]=2 61 B5R0.5 CC(C)C(=O)Cl SBB060269 [0,1,0,0,0,0|0,0,0]=1 62 B5R0.5 CC(O)C(=O)O SBB065762 [0,1,0,0,0,0|1,0,0]=2 63 B5R0.5 CN(C)C(=O)Cl SBB040876 [0,1,0,0,0,0|1,0,0]=2 64 B5R0.5 CN(C)C(=O)[O-] SBB059132 [0,1,0,0,0,0|1,0,0]=2 65 B5R0.5 CN(C)C(=S)Cl SBB085540 [0,1,0,0,0,0|1,1,0]=3 66 B5R0.5 CN(N)C(N)=S SBB066591 [0,1,0,0,0,0|2,1,0]=4 67 B5R0.5 [NH2+]=C(N)N(C)C SBB059825 [0,1,0,0,0,0|2,0,0]=3 68 B5R1.2 OC1CNC1 SBB056270 [0,0,0,1,0,0|2,0,1]=4 69 B5R1.3 BrCC1CC1 SBB054967 [0,0,0,1,0,0|1,0,1]=3 70 B5R1.3 NCC1CC1 SBB047771 [0,0,0,1,0,0|1,0,1]=3 71 B5R1.3 OCC1CC1 SBB059473 [0,0,0,1,0,0|0,0,2]=3 72 B2R0.1 CCBr SBB040912 [2,0,0,0,0,0|1,0,0]=3 73 B2R0.1 ONC SBB005850 [2,0,0,0,0,0|1,0,1]=4 74 B4R0.2 BrCCCBr SBB060203 [1,1,0,0,0,0|1,0,1]=4 75 B4R0.2 CCCCBr SBB059930 [1,1,0,0,0,0|1,0,1]=4 76 B4R0.2 CNCC#N SBB071612 [1,1,0,0,0,0|1,0,1]=4 77 B4R0.2 CNCCI SBB071605 [1,1,0,0,0,0|1,0,1]=4 78 B4R0.2 COCCBr SBB007906 [1,1,0,0,0,0|1,0,1]=4 79 B4R0.2 C\C=C\CC SBB059879 [1,1,0,0,0,0|1,0,0]=3 80 B4R0.2 ClCCCBr SBB058669 [1,1,0,0,0,0|1,0,1]=4 81 B4R0.2 ClCCCCl SBB040918 [1,1,0,0,0,0|1,0,1]=4 82 B4R0.2 Cl\C=C/CCl SBB061393 [1,1,0,0,0,0|1,0,1]=4 83 B4R0.2 OCCCBr SBB054750 [1,1,0,0,0,0|0,0,2]=4 84 B4R0.2 [NH2+](CC)CC SBB059849 [1,1,0,0,0,0|1,0,1]=4 85 B4R0.3 CC(C)(C)Br SBB060197 [1,1,0,0,0,0|0,0,1]=3 86 B4R0.3 C[N+](C)(C)C SBB087926 [1,1,0,0,0,0|1,0,1]=4 87 B6R0.1 CCC(C)N=C=S SBB021425 [0,2,0,0,0,0|0,1,1]=4 88 B6R0.1 CCCC(C)CO SBB061282 [0,2,0,0,0,0|0,0,2]=4 89 B6R0.1 CCNC(C)CO SBB046531 [0,2,0,0,0,0|0,0,2]=4 90 B6R0.1 CNC(C)CCO SBB046542 [0,2,0,0,0,0|0,0,2]=4 91 B6R0.1 CNCC(C)OC SBB049894 [0,2,0,0,0,0|1,0,1]=4 92 B6R0.2 C=C(C)OC(C)=O SBB056824 [0,2,0,0,0,0|0,0,2]=4 93 B6R0.2 CC(=O)C=C(C)C SBB040870 [0,2,0,0,0,0|0,0,1]=3 94 B6R0.2 CC(=O)CC(C)=O SBB009914 [0,2,0,0,0,0|1,0,1]=4 95 B6R0.2 CC(=O)CC(C)C SBB060384 [0,2,0,0,0,0|0,0,0]=2 96 B6R0.2 CC(=O)CC(N)=O SBB061675 [0,2,0,0,0,0|1,0,1]=4 97 B6R0.2 CC(=O)\C=C(\C)N SBB007945 [0,2,0,0,0,0|1,0,1]=4 98 B6R0.2 CC(=O)\C=C(\C)[O-] SBB080715 [0,2,0,0,0,0|1,0,1]=4 99 B6R0.2 CC(C)=CC(=O)O SBB065769 [0,2,0,0,0,0|0,0,1]=3 100 B6R0.2 CC(C)CB(O)O SBB062832 [0,2,0,0,0,0|0,0,2]=4 101 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,2,0,0,0,0|0,0,0]=2 102 B6R0.2 CC(C)CC(C)Br SBB007950 [0,2,0,0,0,0|1,0,1]=4 103 B6R0.2 CC(C)CC(C)O SBB061337 [0,2,0,0,0,0|0,0,2]=4 104 B6R0.2 CC(C)CC(N)=O SBB028167 [0,2,0,0,0,0|0,0,0]=2 105 B6R0.2 CC(C)NC(C)C SBB059763 [0,2,0,0,0,0|1,0,1]=4 106 B6R0.2 CC(O)CC(=O)O SBB065815 [0,2,0,0,0,0|1,0,0]=3 107 B6R0.2 CN(C)CC(=O)O SBB065779 [0,2,0,0,0,0|1,0,0]=3 108 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [0,2,0,0,0,0|1,0,0]=3 109 B6R0.3 C#CC(O)C(C)C SBB009138 [0,2,0,0,0,0|0,0,2]=4 110 B6R0.3 C=C(C)C(=O)OC SBB060556 [0,2,0,0,0,0|0,0,2]=4 111 B6R0.3 C=CC(=O)N(C)C SBB008330 [0,2,0,0,0,0|1,0,0]=3 112 B6R0.3 CC(=O)\C(C)=N/O SBB061682 [0,2,0,0,0,0|1,0,1]=4 113 B6R0.3 CC(C)C(=O)NN SBB030401 [0,2,0,0,0,0|0,0,0]=2 114 B6R0.3 CC(C)\C(N)=N/O SBB028172 [0,2,0,0,0,0|0,0,1]=3 115 B6R0.3 CC(CN)C(=O)O SBB061656 [0,2,0,0,0,0|0,0,0]=2 116 B6R0.3 CC(CN)N(C)C SBB043927 [0,2,0,0,0,0|1,0,1]=4 117 B6R0.3 CC(CO)[N+](=O)[O-] SBB108844 [0,2,0,0,0,0|1,0,0]=3 118 B6R0.3 CCC(=O)C(C)=O SBB061626 [0,2,0,0,0,0|1,0,1]=4 119 B6R0.3 CCC(Br)C(=O)O SBB040791 [0,2,0,0,0,0|1,0,0]=3 120 B6R0.3 CCC(C)C(C)C SBB061452 [0,2,0,0,0,0|1,0,1]=4 121 B6R0.3 CCC(N)C(N)=O SBB017505 [0,2,0,0,0,0|1,0,0]=3 122 B6R0.3 CCN(C)C(=N)N SBB056493 [0,2,0,0,0,0|2,0,0]=4 123 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [0,2,0,0,0,0|1,0,0]=3 124 B6R0.3 CN(C)C(=O)CCl SBB038711 [0,2,0,0,0,0|1,0,0]=3 125 B6R0.3 CN(C)C(=S)NN SBB028202 [0,2,0,0,0,0|1,1,0]=4 126 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [0,2,0,0,0,0|0,0,0]=2 127 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [0,2,0,0,0,0|0,0,0]=2 128 B6R0.3 COC(=O)C(C)C SBB061111 [0,2,0,0,0,0|0,0,0]=2 129 B6R0.3 COC(=O)C(C)N SBB007634 [0,2,0,0,0,0|1,0,0]=3 130 B6R0.3 COC(=O)C(F)F SBB021971 [0,2,0,0,0,0|2,0,0]=4 131 B6R0.3 C\C=C(\C)C(=O)O SBB071598 [0,2,0,0,0,0|0,0,1]=3 132 B6R0.3 N#CC(N)C(N)=O SBB001501 [0,2,0,0,0,0|1,0,1]=4 133 B6R0.3 NC(=O)C(N)CO SBB004161 [0,2,0,0,0,0|1,0,0]=3 134 B6R0.3 NC(CO)C(=O)O SBB061655 [0,2,0,0,0,0|1,0,0]=3 135 B6R0.3 NCC(N)C(=O)O SBB060844 [0,2,0,0,0,0|1,0,0]=3 136 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [0,2,0,0,0,0|1,0,0]=3 137 B6R0.3 O=C(O)C(=O)CBr SBB053571 [0,2,0,0,0,0|1,0,1]=4 138 B6R0.3 O=C(O)C(=O)CBr SBB053584 [0,2,0,0,0,0|1,0,1]=4 139 B6R0.3 O=C(O)C(Br)CBr SBB068302 [0,2,0,0,0,0|1,0,0]=3 140 B6R0.3 O=C(O)C(O)CCl SBB072606 [0,2,0,0,0,0|1,0,0]=3 141 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [0,2,0,0,0,0|1,0,0]=3 142 B6R0.4 C=COCC(C)C SBB060157 [0,2,0,0,0,0|1,0,0]=3 143 B6R0.4 CC(C)CN=C=S SBB017613 [0,2,0,0,0,0|0,1,1]=4 144 B6R0.4 CC(C)COC=O SBB061244 [0,2,0,0,0,0|0,0,0]=2 145 B6R0.4 CC(C)NCCN SBB048119 [0,2,0,0,0,0|1,0,1]=4 146 B6R0.4 CC(C)NCCO SBB056428 [0,2,0,0,0,0|0,0,2]=4 147 B6R0.4 CC(C)OCCN SBB301616 [0,2,0,0,0,0|1,0,1]=4 148 B6R0.5 CC#CC(C)(C)O SBB009136 [0,2,0,0,0,0|1,0,1]=4 149 B6R0.5 CC(C)(C)CCCl SBB059953 [0,2,0,0,0,0|1,0,1]=4 150 B6R0.5 CC(C)(C)CCN SBB059532 [0,2,0,0,0,0|1,0,1]=4 151 B6R0.5 CC(C)(C)N=C=O SBB067148 [0,2,0,0,0,0|0,0,1]=3 152 B6R0.5 CC(C)(C)N=C=S SBB066555 [0,2,0,0,0,0|0,1,1]=4 153 B6R0.5 CC(C)(C)ON=O SBB007659 [0,2,0,0,0,0|1,0,0]=3 154 B6R0.5 CCCC(C)(C)N SBB052122 [0,2,0,0,0,0|1,0,1]=4 155 B6R0.5 CCNC(C)(C)C SBB052124 [0,2,0,0,0,0|1,0,1]=4 156 B6R0.5 O=CCC(F)(F)F SBB017338 [0,2,0,0,0,0|2,0,0]=4 157 B6R0.8 C#CC(C)(C)OC SBB014168 [0,2,0,0,0,0|1,0,1]=4 158 B6R0.8 C#CC(C)(N)CC SBB001893 [0,2,0,0,0,0|1,0,1]=4 159 B6R0.8 C#CC(C)(O)CC SBB002148 [0,2,0,0,0,0|1,0,1]=4 160 B6R0.8 CC(C)(CN)CN SBB061381 [0,2,0,0,0,0|1,0,1]=4 161 B6R0.8 CC(C)(CN)CO SBB028181 [0,2,0,0,0,0|0,0,2]=4 162 B6R0.8 CC(C)(CO)CO SBB056814 [0,2,0,0,0,0|0,0,2]=4 163 B6R0.8 CCC(C)(O)CC SBB060948 [0,2,0,0,0,0|1,0,1]=4 164 B6R0.8 CNC(C)(C)C#N SBB078156 [0,2,0,0,0,0|1,0,1]=4 165 B6R0.8 OCC(C)(CO)N SBB004360 [0,2,0,0,0,0|0,0,2]=4 166 B6R0.9 C=CC(CCl)OC SBB061093 [0,2,0,0,0,0|1,0,0]=3 167 B6R0.9 CC=C(CC)CC SBB059883 [0,2,0,0,0,0|1,0,1]=4 168 B6R0.9 CCC(C=O)CC SBB059875 [0,2,0,0,0,0|0,0,0]=2 169 B6R0.9 CCC(CC)CBr SBB059935 [0,2,0,0,0,0|1,0,1]=4 170 B6R0.9 CCC(CC)CN SBB028171 [0,2,0,0,0,0|1,0,1]=4 171 B6R0.9 CCC(CC)CO SBB059900 [0,2,0,0,0,0|0,0,2]=4 172 B6R0.9 CCC(CN)OC SBB302370 [0,2,0,0,0,0|1,0,1]=4 173 B6R0.9 CCN(C=O)CC SBB056822 [0,2,0,0,0,0|1,0,0]=3 174 B6R0.9 COC(OC)OC SBB060299 [0,2,0,0,0,0|2,0,0]=4 175 B6R0.7 CC(=O)C(C)(C)C SBB060385 [0,2,0,0,0,0|0,0,0]=2 176 B6R0.7 CC(=O)C(C)(C)Cl SBB008903 [0,2,0,0,0,0|0,0,0]=2 177 B6R0.7 CC(=O)C(C)(C)N SBB013635 [0,2,0,0,0,0|0,0,0]=2 178 B6R0.7 CC(C)(Br)C(=O)O SBB065985 [0,2,0,0,0,0|0,0,0]=2 179 B6R0.7 CC(C)(C)C(=N)N SBB072322 [0,2,0,0,0,0|1,0,0]=3 180 B6R0.7 CC(C)(C)C(=O)Cl SBB060922 [0,2,0,0,0,0|0,0,0]=2 181 B6R0.7 CC(C)(C)C(N)=O SBB028170 [0,2,0,0,0,0|0,0,0]=2 182 B6R0.7 CC(C)(C)[S@](N)=O SBB056498 [0,2,0,0,0,0|1,0,0]=3 183 B6R0.7 CC(C)(N)C(=O)O SBB028178 [0,2,0,0,0,0|0,0,0]=2 184 B6R0.7 CC(C)(O)C(=O)O SBB065771 [0,2,0,0,0,0|0,0,0]=2 185 B6R0.7 CN(C)S(C)(=O)=O SBB007962 [0,2,0,0,0,0|2,0,0]=4 186 B6R0.7 NC(=O)C(F)(F)Cl SBB017538 [0,2,0,0,0,0|2,0,0]=4 187 B6R0.7 NC(C)C(C)(C)C SBB005830 [0,2,0,0,0,0|1,0,1]=4 188 B6R0.7 O=C(Br)C(F)(F)Br SBB098866 [0,2,0,0,0,0|2,0,0]=4 189 B6R0.7 O=C(Br)C(F)(F)Cl SBB091626 [0,2,0,0,0,0|2,0,0]=4 190 B6R0.7 O=C(O)C(Br)(Br)Br SBB065991 [0,2,0,0,0,0|2,0,0]=4 191 B6R1.3 S=C=NC1CC1 SBB017403 [0,1,0,1,0,0|0,1,1]=4 192 B6R1.10 CC1(N)CCC1 SBB072407 [0,1,0,1,0,0|1,0,1]=4 193 B6R1.11 CC(=O)C1CC1 SBB040825 [0,1,0,1,0,0|0,0,0]=2 194 B6R1.11 CC(N)C1CC1 SBB027096 [0,1,0,1,0,0|1,0,1]=4 195 B6R1.11 N=C(N)C1CC1 SBB028203 [0,1,0,1,0,0|1,0,0]=3 196 B6R1.11 NC(=O)C1CC1 SBB008326 [0,1,0,1,0,0|0,0,0]=2 197 B6R1.11 NC(=S)C1CC1 SBB024106 [0,1,0,1,0,0|0,1,0]=3 198 B6R1.11 O=C(Cl)C1CC1 SBB061720 [0,1,0,1,0,0|0,0,0]=2 199 B6R1.11 O=C(O)C1CC1 SBB008028 [0,1,0,1,0,0|0,0,0]=2 200 B6R1.6 BrCC1CCC1 SBB054975 [0,1,0,1,0,0|1,0,1]=4 201 B6R1.6 NCC1CCC1 SBB108847 [0,1,0,1,0,0|1,0,1]=4 202 B6R1.7 CC1(CCl)CO1 SBB054966 [0,1,0,1,0,0|0,0,2]=4 203 B6R1.7 CC1(CO)CC1 SBB084505 [0,1,0,1,0,0|0,0,2]=4 204 B6R1.7 N#CC1(N)CC1 SBB068454 [0,1,0,1,0,0|1,0,1]=4