0 B6R0.1 C#CC(O)CCC SBB067434 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.1 C=CC(=O)OCC SBB060348 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 CCC(O)COC SBB072708 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.1 CCCC(=O)CC SBB061496 [0,0,0,0,0,0|0,0,4]=4 4 B6R0.1 CCCC(=O)NN SBB028175 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 CCCC(=O)OC SBB061104 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.1 CCCC(C)CO SBB061282 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 CCCC(O)CC SBB061363 [0,0,0,0,0,0|0,0,2]=2 8 B6R0.1 CCC\C(N)=N/O SBB028173 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 CCNC(C)CO SBB046531 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 CNC(C)CCO SBB046542 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 CNCC(C)OC SBB049894 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 COCC(O)CN SBB051203 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.1 OC(CBr)CCBr SBB007842 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 CC(C)CCBr SBB061181 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CC(C)CCO SBB060162 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CCCC(=O)Cl SBB040624 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 COCC(=O)O SBB061376 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CSCC(=O)O SBB053570 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 O=C(O)CCBr SBB065770 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 O=C(O)CCCl SBB069140 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.2 BrCCCCBr SBB060204 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.2 C=CCN=C=O SBB048102 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 C=CCN=C=S SBB060631 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.2 C=COCCCl SBB061485 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.2 C=COCCN SBB072719 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.2 CCCCCBr SBB059933 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.2 CCCCCCl SBB059951 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.2 CCCN=C=S SBB060984 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.2 CCOCCBr SBB008332 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.2 CCOCCCl SBB061015 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.2 CCOCCN SBB072161 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.2 CCSCCN SBB017894 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.2 CNCCCN SBB059823 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.2 CSCCCO SBB056451 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.2 FCCCCBr SBB087044 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 N#CCCCBr SBB054746 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 N#CCCCCl SBB061739 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.2 NCCCCN SBB059998 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 OCCCCCl SBB002444 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.3 C#CC(O)C=C SBB009126 [1,0,0,0,0,0|0,0,2]=3 41 B5R0.3 C=CC(Cl)CCl SBB060215 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.3 C=CC(O)CBr SBB007652 [1,0,0,0,0,0|1,0,0]=2 43 B5R0.3 CCC(C)CBr SBB007669 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.3 CCC(Cl)CCl SBB060453 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.3 CCC(N)CC SBB000050 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.3 CCC(N)CC SBB071911 [1,0,0,0,0,0|1,0,2]=4 47 B5R0.3 OC(CCl)CCl SBB060190 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.3 OCC(O)CCl SBB060480 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.2 CCC(O)CN(C)C SBB061151 [0,1,0,0,0,0|1,0,2]=4 50 B7R0.3 C=CC(O)CCCC SBB008778 [0,1,0,0,0,0|0,0,0]=1 51 B7R0.3 CC(CN)CCCN SBB058625 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.3 CCCCC(Cl)CCl SBB060394 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.3 CCNCC(O)CC SBB072921 [0,1,0,0,0,0|0,0,2]=3 54 B7R0.3 CCOCC(O)CN SBB017905 [0,1,0,0,0,0|1,0,1]=3 55 B7R0.3 OC[C@H](CCSC)N SBB006701 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.5 C=C(C)C(=O)OCC SBB061402 [0,1,0,0,0,0|1,0,2]=4 57 B7R0.5 CCCC(Br)C(=O)O SBB065976 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.5 CCCC(C)C(=O)O SBB065915 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.5 CCCC(C)C(C)O SBB061491 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.5 NC(CCO)C(=O)O SBB065734 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.5 NC(CCS)C(=O)O SBB065757 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.5 NCCC(N)C(=O)O SBB053580 [0,1,0,0,0,0|3,0,0]=4 65 B7R0.5 NCCC(N)C(=O)O SBB066000 [0,1,0,0,0,0|3,0,0]=4 66 B7R0.5 NCCC(O)C(=O)O SBB066010 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.7 C=C=CC(=O)OCC SBB054147 [0,1,0,0,0,0|1,0,2]=4 69 B7R0.7 CCCC(N)CCC SBB018801 [0,1,0,0,0,0|1,0,2]=4 70 B7R0.7 CCCC(O)CCC SBB061327 [0,1,0,0,0,0|0,0,2]=3 71 B7R0.7 C\C=C\C(=O)OCC SBB061219 [0,1,0,0,0,0|1,0,2]=4 72 B7R0.10 OC[C@H]([C@@H](C)CC)N SBB027248 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.11 C#CC(C)(O)CCC SBB002538 [0,1,0,0,0,0|0,0,2]=3 74 B7R0.12 CCCC(CO)CO SBB059211 [0,1,0,0,0,0|1,0,1]=3 75 B7R1.1 BrCC1CCCC1 SBB054968 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.1 BrCC1CCCO1 SBB003909 [0,0,0,1,0,0|1,0,1]=3 77 B7R1.1 BrCC1OCCO1 SBB070708 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.1 ClCC1CCCN1 SBB018633 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.1 ClCC1CCCO1 SBB008957 [0,0,0,1,0,0|1,0,1]=3 80 B7R1.1 N#CC1CCCC1 SBB008886 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.1 NCC1CCCO1 SBB028168 [0,0,0,1,0,0|1,0,1]=3 82 B7R1.1 NNC1CCCC1 SBB301621 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.1 O=CC1CCCC1 SBB069481 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.1 O=CC1CCOC1 SBB052278 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.1 OCC1CCCC1 SBB008516 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.1 OCC1CCCO1 SBB058567 [0,0,0,1,0,0|1,0,1]=3 87 B7R1.1 OCC1OCCO1 SBB059646 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.1 OC[C@H]1CCCN1 SBB027252 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.3 BrC1C=CCCC1 SBB007864 [0,0,0,1,0,0|1,0,0]=2 90 B7R1.3 BrC1CCCCC1 SBB059944 [0,0,0,1,0,0|1,0,2]=4 91 B7R1.3 CC1CC=CCC1 SBB060473 [0,0,0,1,0,0|1,0,2]=4 92 B7R1.3 CC1CCCCC1 SBB061163 [0,0,0,1,0,0|1,0,2]=4 93 B7R1.3 FC1CCCNC1 SBB070684 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.3 N1CCCC(C)C1 SBB027301 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.3 N1CCCC(O)C1 SBB004193 [0,0,0,1,0,0|1,0,1]=3 96 B7R1.3 N1CCCCC1C SBB027300 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.3 NC1CCCCC1 SBB040492 [0,0,0,1,0,0|1,0,2]=4 98 B7R1.3 NC1CCCNC1 SBB052004 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.3 NC1CCCOC1 SBB012974 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.3 N[C@H]1CCCNC1 SBB017596 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.3 O=C1C=CCCC1 SBB008209 [0,0,0,1,0,0|0,0,2]=3 103 B7R1.3 OC1CCCCC1 SBB060483 [0,0,0,1,0,0|0,0,2]=3 104 B7R1.3 OC1CCCCO1 SBB055947 [0,0,0,1,0,0|1,0,1]=3 105 B7R1.3 OC1CCCNC1 SBB027351 [0,0,0,1,0,0|1,0,1]=3 106 B7R1.3 OC1CCNCC1 SBB027346 [0,0,0,1,0,0|1,0,2]=4 107 B7R1.3 OC1CCOCC1 SBB055945 [0,0,0,1,0,0|1,0,2]=4 108 B7R1.4 BrC1CCCC1Br SBB060684 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.4 CN1CCCC1=O SBB060297 [0,0,0,1,0,0|3,0,0]=4 110 B7R1.4 ClC1CCCC1Cl SBB060212 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.4 NC1CCOC1=O SBB004366 [0,0,0,1,0,0|3,0,0]=4 112 B7R1.4 NC1CCOC1=O SBB057192 [0,0,0,1,0,0|3,0,0]=4 113 B7R1.4 NC1CCSC1=O SBB004035 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.4 N[C@@H]1CSC[C@H]1O SBB014689 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.4 O=C1OCCC1Br SBB083094 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.4 OC1CCCC1Cl SBB060196 [0,0,0,1,0,0|1,0,1]=3 117 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [0,0,0,1,0,0|1,0,1]=3 118 B4R0.1 CCC(C)Br SBB059931 [2,0,0,0,0,0|1,0,1]=4 119 B4R0.2 BrCCCBr SBB060203 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.2 CCCCBr SBB059930 [2,0,0,0,0,0|1,0,0]=3 121 B4R0.2 CNCCI SBB071605 [2,0,0,0,0,0|2,0,0]=4 122 B4R0.2 COCCBr SBB007906 [2,0,0,0,0,0|2,0,0]=4 123 B4R0.2 C\C=C\CC SBB059879 [2,0,0,0,0,0|0,0,2]=4 124 B4R0.2 ClCCCBr SBB058669 [2,0,0,0,0,0|2,0,0]=4 125 B4R0.2 ClCCCCl SBB040918 [2,0,0,0,0,0|2,0,0]=4 126 B4R0.2 OCCCBr SBB054750 [2,0,0,0,0,0|1,0,0]=3 127 B4R0.2 [NH2+](CC)CC SBB059849 [2,0,0,0,0,0|1,0,1]=4 128 B6R0.2 CC(C)CB(O)O SBB062832 [1,1,0,0,0,0|2,0,0]=4 129 B6R0.2 CC(C)CC(C)Br SBB007950 [1,1,0,0,0,0|1,0,1]=4 130 B6R0.2 CC(C)CC(C)O SBB061337 [1,1,0,0,0,0|0,0,1]=3 131 B6R0.2 CC(O)CC(=O)O SBB065815 [1,1,0,0,0,0|1,0,1]=4 132 B6R0.2 CC(O)CN(C)C SBB060002 [1,1,0,0,0,0|1,0,1]=4 133 B6R0.3 CCC(Br)C(=O)O SBB040791 [1,1,0,0,0,0|1,0,1]=4 134 B6R0.3 CCC(C)C(C)C SBB061452 [1,1,0,0,0,0|1,0,1]=4 135 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.4 CCC#CC(C)O SBB067141 [1,1,0,0,0,0|0,0,2]=4 137 B6R0.4 CCCCC(=O)O SBB053585 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.4 CCCCC(C)O SBB061290 [1,1,0,0,0,0|0,0,1]=3 139 B6R0.4 CCOCC(=O)O SBB069120 [1,1,0,0,0,0|1,0,1]=4 140 B6R0.4 CCOCC(C)O SBB061006 [1,1,0,0,0,0|0,0,1]=3 141 B6R0.4 CCSCC(=O)O SBB047288 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.4 NCCCC(=O)O SBB028179 [1,1,0,0,0,0|1,0,1]=4 143 B6R0.4 O=C(O)CCCBr SBB065986 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.5 CCCC(C)(C)N SBB052122 [1,1,0,0,0,0|1,0,1]=4 145 B6R0.6 C#CCCCCC SBB067441 [1,1,0,0,0,0|0,0,2]=4 146 B6R0.6 C#CCCCCO SBB015110 [1,1,0,0,0,0|0,0,2]=4 147 B6R0.6 C#CCNCC=C SBB301262 [1,1,0,0,0,0|0,0,2]=4 148 B6R0.6 C=CCCCCBr SBB054740 [1,1,0,0,0,0|0,0,0]=2 149 B6R0.6 C=CCCCCC SBB059882 [1,1,0,0,0,0|0,0,0]=2 150 B6R0.6 C=CCNCC=C SBB060901 [1,1,0,0,0,0|0,0,2]=4 151 B6R0.6 C=CCOCCO SBB060194 [1,1,0,0,0,0|1,0,0]=3 152 B6R0.6 C=CCSCC=C SBB060116 [1,1,0,0,0,0|0,0,2]=4 153 B6R0.6 CCCCCC#N SBB060051 [1,1,0,0,0,0|0,0,2]=4 154 B6R0.6 CCCCCCBr SBB059934 [1,1,0,0,0,0|0,0,2]=4 155 B6R0.6 CCCCCCCl SBB059952 [1,1,0,0,0,0|0,0,2]=4 156 B6R0.6 CCCCCCN SBB059984 [1,1,0,0,0,0|0,0,2]=4 157 B6R0.6 CCCCCCO SBB059899 [1,1,0,0,0,0|0,0,2]=4 158 B6R0.6 CCCCCOC SBB061300 [1,1,0,0,0,0|0,0,2]=4 159 B6R0.6 CCCCN=C=S SBB060985 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.6 CCCCNC=O SBB060026 [1,1,0,0,0,0|1,0,0]=3 161 B6R0.6 CCCCOC=O SBB060300 [1,1,0,0,0,0|1,0,0]=3 162 B6R0.6 CCCCSC#N SBB056760 [1,1,0,0,0,0|1,0,1]=4 163 B6R0.6 CCCCSCC SBB061178 [1,1,0,0,0,0|0,0,2]=4 164 B6R0.6 CCCNCCC SBB059762 [1,1,0,0,0,0|0,0,2]=4 165 B6R0.6 CCCOCCO SBB061379 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.6 CCCSCCC SBB061017 [1,1,0,0,0,0|0,0,2]=4 167 B6R0.6 CCCSCCO SBB058605 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.6 CCC\C=C\C=O SBB067097 [1,1,0,0,0,0|0,0,1]=3 169 B6R0.6 CCNCCC#N SBB006528 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.6 CCOCCC#N SBB067181 [1,1,0,0,0,0|1,0,1]=4 171 B6R0.6 CCOCCCN SBB028180 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.6 N#CCCCCCl SBB061418 [1,1,0,0,0,0|1,0,1]=4 173 B6R0.6 NCCCCCN SBB079706 [1,1,0,0,0,0|1,0,1]=4 174 B6R0.8 C#CC(C)(O)CC SBB002148 [1,1,0,0,0,0|0,0,2]=4 175 B6R0.8 CCC(C)(O)CC SBB060948 [1,1,0,0,0,0|0,0,2]=4 176 B6R0.9 C=CC(CCl)OC SBB061093 [1,1,0,0,0,0|1,0,0]=3 177 B6R0.9 CCC(C=O)CC SBB059875 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.9 CCC(CC)CO SBB059900 [1,1,0,0,0,0|0,0,2]=4 179 B6R0.9 CCC(CN)OC SBB302370 [1,1,0,0,0,0|1,0,1]=4 180 B8R0.2 CCC(C)C(Br)C(=O)O SBB069132 [0,2,0,0,0,0|2,0,0]=4 181 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)O SBB037854 [0,2,0,0,0,0|2,0,0]=4 182 B8R0.5 CCCC(C)CC(=O)O SBB061321 [0,2,0,0,0,0|1,0,1]=4 183 B8R0.23 CC(C)CC(N)C(N)=O SBB000156 [0,2,0,0,0,0|2,0,0]=4 184 B8R0.23 CC(C)CC(N)C(N)=O SBB072626 [0,2,0,0,0,0|2,0,0]=4 185 B8R0.23 CC(C)CC(O)C(C)C SBB116858 [0,2,0,0,0,0|0,0,2]=4 186 B8R0.23 CC(C)C[C@@H](N)C(=O)O SBB006736 [0,2,0,0,0,0|2,0,0]=4 187 B8R0.23 CC(C)C[C@H](O)C(=O)O SBB065948 [0,2,0,0,0,0|1,0,0]=3 188 B8R0.34 C#CC(C)(O)CC(C)C SBB002131 [0,2,0,0,0,0|0,0,2]=4 189 B8R0.1 C=CCOC(=O)CCC SBB061324 [0,2,0,0,0,0|0,0,2]=4 190 B8R0.1 CCCCC(O)CCC SBB059905 [0,2,0,0,0,0|0,0,2]=4 191 B8R0.3 C#CC(O)C(C)CCC SBB009074 [0,2,0,0,0,0|0,0,2]=4 192 B8R0.3 O=CC[C@H](O)[C@H](O)CO SBB067136 [0,2,0,0,0,0|1,0,1]=4 193 B8R0.6 C#CC(O)CCCCC SBB009107 [0,2,0,0,0,0|0,0,2]=4 194 B8R0.6 CCCCCC(O)CC SBB059904 [0,2,0,0,0,0|0,0,2]=4 195 B8R0.6 OC(CCl)COCCCl SBB056672 [0,2,0,0,0,0|1,0,1]=4 196 B8R0.6 OCCCCC(O)CO SBB061014 [0,2,0,0,0,0|1,0,1]=4 197 B8R0.6 OCCOCC(O)CCl SBB061082 [0,2,0,0,0,0|1,0,1]=4 198 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [0,2,0,0,0,0|2,0,0]=4 199 B8R0.8 CCCCC(C)C(=O)O SBB072714 [0,2,0,0,0,0|2,0,0]=4 200 B8R0.8 CCCCC(N)C(C)=O SBB014561 [0,2,0,0,0,0|1,0,1]=4 201 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [0,2,0,0,0,0|2,0,0]=4 202 B8R0.8 NCCCC(N)C(=O)O SBB047988 [0,2,0,0,0,0|2,0,0]=4 203 B8R0.8 OC(=O)C(C)CCCCl SBB004068 [0,2,0,0,0,0|2,0,0]=4 204 B8R0.8 OC(=O)[C@@H](CCSC)N SBB006710 [0,2,0,0,0,0|2,0,0]=4 205 B8R0.8 [NH3+]CCCC(N)C(=O)O SBB061681 [0,2,0,0,0,0|2,0,0]=4 206 B8R0.9 CC(C)OCC(O)CN SBB010264 [0,2,0,0,0,0|1,0,1]=4 207 B8R0.11 CCCCC(C=O)CC SBB060148 [0,2,0,0,0,0|2,0,0]=4 208 B8R0.11 CCCCC(CC)CO SBB059906 [0,2,0,0,0,0|0,0,2]=4 209 B8R0.11 CCCCC(CO)CO SBB059212 [0,2,0,0,0,0|1,0,1]=4 210 B8R0.25 C#CC(C)(O)CCCC SBB002537 [0,2,0,0,0,0|0,0,2]=4 211 B8R0.25 CCCCC(C)(O)CC SBB061166 [0,2,0,0,0,0|0,0,2]=4 212 B8R0.12 CCCC(C)(C)C(=O)O SBB007765 [0,2,0,0,0,0|2,0,0]=4 213 B8R0.22 CCCC(C=O)CCC SBB052355 [0,2,0,0,0,0|2,0,0]=4 214 B6R1.2 BrC1CCCC1 SBB040823 [1,0,0,1,0,0|1,0,1]=4 215 B6R1.2 NC1CCCC1 SBB040467 [1,0,0,1,0,0|1,0,1]=4 216 B6R1.2 OC1CCNC1 SBB056152 [1,0,0,1,0,0|1,0,1]=4 217 B6R1.2 O[C@H]1CCNC1 SBB004272 [1,0,0,1,0,0|1,0,1]=4 218 B6R1.2 O[C@H]1CCNC1 SBB027336 [1,0,0,1,0,0|1,0,1]=4 219 B6R1.2 O[C@H]1CCOC1 SBB062959 [1,0,0,1,0,0|1,0,1]=4 220 B6R1.10 CC1(N)CCC1 SBB072407 [1,0,0,1,0,0|1,0,1]=4 221 B6R1.11 CC(N)C1CC1 SBB027096 [1,0,0,1,0,0|1,0,1]=4 222 B6R1.11 O=C(O)C1CC1 SBB008028 [1,0,0,1,0,0|1,0,1]=4 223 B6R1.1 C1=COCCC1 SBB060381 [1,0,0,1,0,0|1,0,0]=3 224 B6R1.6 BrCC1CCC1 SBB054975 [1,0,0,1,0,0|1,0,1]=4 225 B6R1.6 NCC1CCC1 SBB108847 [1,0,0,1,0,0|1,0,1]=4 226 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 SBB054869 [0,1,0,1,0,0|1,0,0]=3 227 B8R1.1 OCC1CC(O)CN1 SBB014445 [0,1,0,1,0,0|1,0,1]=4 228 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [0,1,0,1,0,0|0,0,2]=4 229 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,1,0,1,0,0|0,0,2]=4 230 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [0,1,0,1,0,0|0,0,2]=4 231 B8R1.51 O=S1(=O)C=CC(O)C1 SBB072189 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.2 BrCC1CCCCO1 SBB054944 [0,1,0,1,0,0|1,0,1]=4 233 B8R1.2 C1(CCl)OCCCO1 SBB085954 [0,1,0,1,0,0|1,0,1]=4 234 B8R1.2 C=CC1CC=CCC1 SBB059892 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.2 COC1C=CCCC1 SBB060461 [0,1,0,1,0,0|0,0,0]=2 236 B8R1.2 ClCC1CCCCO1 SBB040653 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.2 ClCC1COCCO1 SBB046611 [0,1,0,1,0,0|1,0,1]=4 238 B8R1.2 NCC1CCCCO1 SBB085471 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.2 NCC1CCCOC1 SBB013821 [0,1,0,1,0,0|1,0,1]=4 240 B8R1.2 NCC1COCCO1 SBB014104 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.2 O=CC1CCNCC1 SBB052337 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.2 O=CC1CCOCC1 SBB052321 [0,1,0,1,0,0|2,0,0]=4 243 B8R1.2 OCC1CC=CCC1 SBB054865 [0,1,0,1,0,0|0,0,2]=4 244 B8R1.2 OCC1CCCCC1 SBB061328 [0,1,0,1,0,0|0,0,2]=4 245 B8R1.2 OCC1CCCCN1 SBB058544 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.2 OCC1CCCCO1 SBB008943 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.2 OCC1CCCOC1 SBB014200 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.3 CC1CCC(O)CC1 SBB060479 [0,1,0,1,0,0|0,0,2]=4 249 B8R1.3 N[C@H]1CC[C@H](O)CC1 SBB005825 [0,1,0,1,0,0|0,0,2]=4 250 B8R1.3 OC1CCC(Cl)CC1 SBB007863 [0,1,0,1,0,0|0,0,2]=4 251 B8R1.3 OC1CCN(C)CC1 SBB004301 [0,1,0,1,0,0|0,0,2]=4 252 B8R1.5 CC1CCCCC1=O SBB058517 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.5 CC1CNCCC1O SBB300760 [0,1,0,1,0,0|0,0,2]=4 254 B8R1.5 NC1CCCNC1=O SBB012739 [0,1,0,1,0,0|2,0,0]=4 255 B8R1.5 O=C1CCCCC1Cl SBB061548 [0,1,0,1,0,0|1,0,1]=4 256 B8R1.5 O[C@@H]1CCCC[C@H]1O SBB007679 [0,1,0,1,0,0|0,0,2]=4 257 B8R1.5 O[C@H]1CCCC[C@H]1O SBB007678 [0,1,0,1,0,0|0,0,2]=4 258 B8R1.22 OC1CCCCCC1 SBB061138 [0,1,0,1,0,0|0,0,2]=4 259 B8R1.52 C#CC1(O)CCCC1 SBB002132 [0,1,0,1,0,0|0,0,2]=4 260 B8R1.52 CC1(CN)CCCO1 SBB015007 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.7 CC(N)C1CCCO1 SBB020137 [0,1,0,1,0,0|0,0,2]=4 262 B8R1.7 N=C(N)C1CCCC1 SBB056275 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.7 NC(=O)C1CCCN1 SBB004067 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.7 O=C(O)C1CCCC1 SBB065782 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,1,0,1,0,0|1,0,0]=3 267 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.78 NC1(C(=O)O)CCC1 SBB050243 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.8 C=CCC1CCCC1 SBB008872 [0,1,0,1,0,0|1,0,0]=3 270 B8R1.8 CCCC1=CC=CS1 SBB073407 [0,1,0,1,0,0|0,1,1]=4 271 B8R1.8 CCCC1=NC=CS1 SBB055797 [0,1,0,1,0,0|0,1,1]=4 272 B8R1.8 CCCC1OCCO1 SBB060981 [0,1,0,1,0,0|0,0,2]=4 273 B8R1.8 CCCC1OCCS1 SBB056724 [0,1,0,1,0,0|0,0,2]=4 274 B8R1.8 CCCN1C=CC=N1 SBB024228 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.8 CCCN1C=CN=C1 SBB073424 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.8 CNCC1=CC=CO1 SBB079004 [0,1,0,1,0,0|1,0,1]=4 277 B8R1.8 N#CCC1CCCO1 SBB018702 [0,1,0,1,0,0|0,0,2]=4 278 B8R1.8 NCCC1=CC=CO1 SBB013333 [0,1,0,1,0,0|1,0,1]=4 279 B8R1.11 CN1CCCC1CO SBB108833 [0,1,0,1,0,0|1,0,1]=4 280 B8R1.28 C#CC(C)(O)C1CC1 SBB002556 [0,1,0,1,0,0|0,0,2]=4 281 B8R1.28 CCC(C)(O)C1CC1 SBB111789 [0,1,0,1,0,0|0,0,2]=4 282 B8R1.72 CC1(O)CCCCC1 SBB061165 [0,1,0,1,0,0|0,0,2]=4 283 B8R2.34 C1OC2CNC1C2 SBB017544 [0,0,0,2,0,0|1,0,1]=4 284 B8R2.25 C1CCC2OC2C1 SBB061377 [0,0,0,2,0,0|0,0,2]=4