0 B7R0.12 CCCC(CO)CO SBB059211 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.12 CCN(CC)CCN SBB060903 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.12 CCN(CC)CCO SBB058521 [0,0,0,0,0,0|0,0,0]=0 3 B6R0.1 CCCC(=O)CC SBB061496 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.1 CCCC(C)CO SBB061282 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.1 CCCC(O)CC SBB061363 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.1 CNC(C)CCO SBB046542 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.9 CC=C(CC)CC SBB059883 [1,0,0,0,0,0|1,0,1]=3 8 B6R0.9 CCC(C=O)CC SBB059875 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.9 CCC(CC)CBr SBB059935 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.9 CCC(CC)CN SBB028171 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.9 CCC(CC)CO SBB059900 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.9 CCC(CN)OC SBB302370 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.9 CCN(C#N)CC SBB060416 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.9 CCN(C=O)CC SBB056822 [1,0,0,0,0,0|0,0,2]=3 15 B6R0.9 CCN(CC)CC SBB040898 [1,0,0,0,0,0|0,0,0]=1 16 B6R0.9 CCN(CC)CC SBB087540 [1,0,0,0,0,0|0,0,0]=1 17 B8R0.11 CC#CCN(CC)CC SBB008752 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.11 CCCCC(CC)CBr SBB059938 [0,1,0,0,0,0|3,0,0]=4 19 B8R0.11 CCCCC(CC)CCl SBB005809 [0,1,0,0,0,0|3,0,0]=4 20 B8R0.11 CCCCC(CC)CI SBB061182 [0,1,0,0,0,0|3,0,0]=4 21 B8R0.11 CCCCC(CC)CO SBB059906 [0,1,0,0,0,0|3,0,0]=4 22 B8R0.11 CCN(CC)CCC#N SBB060358 [0,1,0,0,0,0|1,0,0]=2 23 B8R0.11 CCN(CC)CCCN SBB058841 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.11 NCC(CC)CCCC SBB006745 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.16 CCN(CC)CC(=O)O SBB010260 [0,1,0,0,0,0|0,0,1]=2 26 B8R0.16 CCN(CC)CC(C)N SBB020279 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.16 CCN(CC)CC(C)O SBB060003 [0,1,0,0,0,0|0,0,0]=1 28 B8R0.20 C=CC(=O)N(CC)CC SBB051446 [0,1,0,0,0,0|1,0,2]=4 29 B8R0.20 CCN(CC)C(=O)CCl SBB038655 [0,1,0,0,0,0|1,0,1]=3 30 B8R0.20 CCN(CC)C(C)CN SBB016418 [0,1,0,0,0,0|1,0,0]=2 31 B8R0.22 C(=O)N(CCC)CCC SBB008026 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.22 CCN(CCO)CCO SBB058753 [0,1,0,0,0,0|0,0,0]=1 33 B8R1.1 OCC1CC(O)CN1 SBB014445 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.2 BrCC1CCOCC1 SBB054945 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.2 C(=O)N1CCCCC1 SBB004316 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.2 C(=O)N1CCNCC1 SBB027307 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.2 C(=O)N1CCOCC1 SBB007670 [0,0,0,1,0,0|1,0,1]=3 38 B8R1.2 CCC1CCCCC1 SBB061162 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.2 CCC1CCNCC1 SBB046379 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.2 CCN1CCCCC1 SBB061409 [0,0,0,1,0,0|1,0,0]=2 41 B8R1.2 CCN1CCOCC1 SBB060634 [0,0,0,1,0,0|0,0,0]=1 42 B8R1.2 COC1CCNCC1 SBB019028 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.2 N#CC1CCOCC1 SBB019014 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.2 N#CN1CCOCC1 SBB050234 [0,0,0,1,0,0|1,0,1]=3 45 B8R1.2 N(C)C1CCCCC1 SBB004314 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.2 N1CCCCC1CC SBB004312 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.2 N1CCN(CC)CC1 SBB006719 [0,0,0,1,0,0|1,0,0]=2 48 B8R1.2 NCC1CCCCC1 SBB028193 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.2 NCC1CCNCC1 SBB004305 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.2 NCC1CCOCC1 SBB014254 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.2 O=CC1CCOCC1 SBB052321 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.2 OCC1CCCCC1 SBB061328 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.2 OCC1CCNCC1 SBB054833 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.8 C=CCC1CCCC1 SBB008872 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.8 ClCCN1CCCC1 SBB070714 [0,0,0,1,0,0|1,0,0]=2 56 B8R1.8 N#CCN1CCCC1 SBB047434 [0,0,0,1,0,0|1,0,1]=3 57 B8R1.8 NCCC1CCCC1 SBB072011 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.8 NCCN1CCCC1 SBB004304 [0,0,0,1,0,0|1,0,0]=2 59 B8R1.8 OCCC1CCCC1 SBB008459 [0,0,0,1,0,0|1,0,0]=2 60 B8R1.8 OCCN1CCCC1 SBB060257 [0,0,0,1,0,0|0,0,0]=1 61 B8R1.8 OCCN1CCOC1 SBB008304 [0,0,0,1,0,0|1,0,0]=2 62 B8R1.12 NC[C@@H]1CC[C@H]1CN SBB052512 [0,0,0,1,0,0|3,0,0]=4 63 B5R0.1 CC(C)CCBr SBB061181 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.1 CC(C)CCO SBB060162 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.1 CN(C)CCBr SBB073020 [2,0,0,0,0,0|1,0,0]=3 66 B5R0.1 CN(C)CCN SBB007533 [2,0,0,0,0,0|1,0,0]=3 67 B5R0.1 [NH+](C)(C)CCCl SBB057087 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.2 CC#CCCO SBB009118 [2,0,0,0,0,0|1,0,1]=4 69 B5R0.2 CCC#CCO SBB009120 [2,0,0,0,0,0|1,0,1]=4 70 B5R0.2 CCCCCBr SBB059933 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.2 CCCCCCl SBB059951 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.2 CCNNCC SBB069584 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.2 CCOCCBr SBB008332 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.2 CCOCCCl SBB061015 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.2 CCOCCN SBB072161 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.2 CCSCCN SBB017894 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.2 CSCCCO SBB056451 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.2 OCCCCCl SBB002444 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.3 CCC(C)CBr SBB007669 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.3 CCC(N)CC SBB000050 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.3 CCC(N)CC SBB071911 [2,0,0,0,0,0|2,0,0]=4 82 B7R0.2 CCC(C)CC(=O)O SBB008180 [1,1,0,0,0,0|1,0,1]=4 83 B7R0.3 CCN(C)CCCO SBB046555 [1,1,0,0,0,0|0,0,0]=2 84 B7R0.5 CC(CCO)N(C)C SBB046554 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.5 CCCC(C)C(C)O SBB061491 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.7 CCCN(C)CCC SBB061592 [1,1,0,0,0,0|1,0,0]=3 87 B7R0.7 CCNC(C)CCO SBB046562 [1,1,0,0,0,0|1,0,0]=3 88 B7R0.10 OC[C@H]([C@@H](C)CC)N SBB027248 [1,1,0,0,0,0|1,0,0]=3 89 B7R0.11 CCS(=O)(=O)CCO SBB008148 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.15 CCC(CC)C(=O)O SBB061341 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.15 CCN(CC)C(=N)N SBB056509 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.15 CCN(CC)C(=O)Cl SBB061734 [1,1,0,0,0,0|0,0,2]=4 93 B7R0.15 CCN(CC)C(=S)Cl SBB086805 [1,1,0,0,0,0|0,1,1]=4 94 B7R0.18 CCC(O)(CC)CC SBB061141 [1,1,0,0,0,0|1,0,0]=3 95 B7R0.18 CCP(=S)(CC)CC SBB086744 [1,1,0,0,0,0|0,1,0]=3 96 B9R0.26 CCC(O)CN(CC)CC SBB072690 [0,2,0,0,0,0|0,0,0]=2 97 B9R0.26 CCN(CC)CC(O)CN SBB010310 [0,2,0,0,0,0|0,0,0]=2 98 B9R0.26 CCN(CC)C\C(C)=N\O SBB020249 [0,2,0,0,0,0|0,0,1]=3 99 B9R0.37 CCCC(=O)N(CC)CC SBB008344 [0,2,0,0,0,0|1,0,0]=3 100 B9R0.40 CCCC(CC)NCCO SBB059831 [0,2,0,0,0,0|1,0,0]=3 101 B9R0.50 CCC(CC)COCCCl SBB060526 [0,2,0,0,0,0|2,0,0]=4 102 B9R0.50 CCC(CC)COCCO SBB061090 [0,2,0,0,0,0|1,0,0]=3 103 B9R0.50 CCN(CC)CCCCN SBB008614 [0,2,0,0,0,0|1,0,0]=3 104 B9R0.15 CCCN(CCC)C(C)=O SBB008474 [0,2,0,0,0,0|1,0,1]=4 105 B9R0.33 CC(C)N(CC#N)C(C)C SBB068610 [0,2,0,0,0,0|1,0,1]=4 106 B9R0.33 CC(C)N(CCCl)C(C)C SBB005861 [0,2,0,0,0,0|1,0,0]=3 107 B9R0.33 CC(C)N(CCN)C(C)C SBB028273 [0,2,0,0,0,0|1,0,0]=3 108 B9R0.17 C#CCN(CCC)CCC SBB058306 [0,2,0,0,0,0|1,0,1]=4 109 B9R0.17 CCCN(CCO)CCO SBB061588 [0,2,0,0,0,0|0,0,0]=2 110 B9R0.17 NCCC(OCC)OCC SBB005781 [0,2,0,0,0,0|2,0,0]=4 111 B9R0.17 SCCN(CCS)CCS SBB057092 [0,2,0,0,0,0|0,1,0]=3 112 B7R1.3 CC1CCCCC1 SBB061163 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.3 CN1CCCCC1 SBB060237 [1,0,0,1,0,0|1,0,0]=3 114 B7R1.3 CN1CCOCC1 SBB061013 [1,0,0,1,0,0|0,0,0]=2 115 B7R1.3 ClC1CCOCC1 SBB070678 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.3 N1CCC(C)CC1 SBB027302 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.3 N1CCN(C)CC1 SBB027304 [1,0,0,1,0,0|1,0,0]=3 118 B7R1.3 NC1CCOCC1 SBB014873 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.3 NC1CCOCC1 SBB069906 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.3 NN1CCCCC1 SBB067336 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.3 NN1CCOCC1 SBB004363 [1,0,0,1,0,0|1,0,0]=3 122 B7R1.3 O=C1CCOCC1 SBB049627 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.3 OC1CCOCC1 SBB055945 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.29 OCC1(CO)CC1 SBB054861 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.1 CCC1CCC(=O)CC1 SBB059272 [0,1,0,1,0,0|1,0,1]=4 126 B9R1.1 CCC1CCC(C)NC1 SBB085696 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.1 CCC1CCC(N)CC1 SBB085697 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.1 CCC1CCC(O)CC1 SBB058793 [0,1,0,1,0,0|1,0,0]=3 129 B9R1.1 CCN1CCC(=O)CC1 SBB061714 [0,1,0,1,0,0|0,0,1]=3 130 B9R1.1 CCN1CCC(N)CC1 SBB021240 [0,1,0,1,0,0|1,0,0]=3 131 B9R1.12 CCCCN1CCCC1 SBB061041 [0,1,0,1,0,0|1,0,0]=3 132 B9R1.12 CCCNC1CCCC1 SBB080044 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.12 N#CCCN1CCCC1 SBB047435 [0,1,0,1,0,0|1,0,0]=3 134 B9R1.12 NCCCN1CCCC1 SBB005799 [0,1,0,1,0,0|1,0,0]=3 135 B9R1.21 CCN1CCC(CN)C1 SBB026670 [0,1,0,1,0,0|1,0,0]=3 136 B9R1.89 CCN1CCCCCC1 SBB056278 [0,1,0,1,0,0|1,0,0]=3 137 B9R1.89 CCN1CCCNCC1 SBB056277 [0,1,0,1,0,0|1,0,0]=3 138 B9R1.204 CCC1(CC)OCCO1 SBB060970 [0,1,0,1,0,0|1,0,0]=3 139 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [0,1,0,1,0,0|1,0,1]=4 140 B9R1.6 CC(=O)N1CCNCC1 SBB027339 [0,1,0,1,0,0|1,0,1]=4 141 B9R1.6 CC(C)C1CCCCC1 SBB061161 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.6 CC(C)N1CCNCC1 SBB004236 [0,1,0,1,0,0|1,0,0]=3 143 B9R1.6 C[C@@H](N)C1CCCCC1 SBB028230 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.6 N=C(N)N1CCOCC1 SBB056147 [0,1,0,1,0,0|1,0,1]=4 145 B9R1.6 N=C(N)N1CCOCC1 SBB056150 [0,1,0,1,0,0|1,0,1]=4 146 B9R1.6 NC(=S)N1CCOCC1 SBB086506 [0,1,0,1,0,0|1,0,1]=4 147 B9R1.6 O=C(Cl)N1CCOCC1 SBB061723 [0,1,0,1,0,0|1,0,1]=4 148 B9R1.33 CN1CCCC1CCO SBB056164 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.33 NCCN1CCCC1=O SBB300961 [0,1,0,1,0,0|1,0,1]=4 150 B9R1.33 O=C1CCCN1CCCl SBB010314 [0,1,0,1,0,0|1,0,1]=4 151 B9R1.33 O=C1NCCN1CCO SBB008288 [0,1,0,1,0,0|1,0,1]=4 152 B9R1.33 O=C1OCCN1CCO SBB007726 [0,1,0,1,0,0|1,0,1]=4 153 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [0,1,0,1,0,0|0,0,2]=4 154 B9R1.2 CCN1CCCC(N)C1 SBB010256 [0,1,0,1,0,0|1,0,0]=3 155 B9R1.13 CC(N)CN1CCCC1 SBB014676 [0,1,0,1,0,0|1,0,0]=3 156 B9R1.13 CC(O)CN1CCCC1 SBB056722 [0,1,0,1,0,0|0,0,0]=2 157 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [0,1,0,1,0,0|1,0,1]=4 158 B9R1.13 O=C(O)CN1CCCC1 SBB017909 [0,1,0,1,0,0|0,0,1]=3 159 B9R1.11 CC(CN)N1CCCC1 SBB027658 [0,1,0,1,0,0|1,0,0]=3 160 B9R1.11 CC(CO)N1CCCC1 SBB046591 [0,1,0,1,0,0|0,0,0]=2 161 B9R1.11 O=C(CCl)N1CCCC1 SBB005370 [0,1,0,1,0,0|1,0,1]=4 162 B9R1.14 CCN1CCCC1CN SBB048031 [0,1,0,1,0,0|1,0,0]=3 163 B9R1.14 CCN1CCCC1CO SBB108758 [0,1,0,1,0,0|0,0,0]=2 164 B9R1.8 BrCCC1CCCCN1 SBB018737 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.8 BrCCN1CCNCC1 SBB071600 [0,1,0,1,0,0|1,0,0]=3 166 B9R1.8 C=CCN1CCNCC1 SBB010066 [0,1,0,1,0,0|1,0,1]=4 167 B9R1.8 CCCC1CCCCN1 SBB017578 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.8 CCCC1CCCCN1 SBB050937 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.8 CCCN1CCCCC1 SBB061042 [0,1,0,1,0,0|1,0,0]=3 170 B9R1.8 CCCN1CCNCC1 SBB056132 [0,1,0,1,0,0|1,0,0]=3 171 B9R1.8 CCCN1CCOCC1 SBB061033 [0,1,0,1,0,0|0,0,0]=2 172 B9R1.8 CCOC1CCNCC1 SBB027269 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.8 CCOC1CCNCC1 SBB080379 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.8 ClCCN1CCCCC1 SBB056102 [0,1,0,1,0,0|1,0,0]=3 175 B9R1.8 ClCCN1CCOCC1 SBB004079 [0,1,0,1,0,0|0,0,0]=2 176 B9R1.8 N#CCN1CCCCC1 SBB017050 [0,1,0,1,0,0|1,0,1]=4 177 B9R1.8 N#CCN1CCNCC1 SBB014912 [0,1,0,1,0,0|1,0,1]=4 178 B9R1.8 N#CCN1CCOCC1 SBB047441 [0,1,0,1,0,0|0,0,1]=3 179 B9R1.8 N1CCN(CCC)CC1 SBB005871 [0,1,0,1,0,0|1,0,0]=3 180 B9R1.8 NCCC1=CCCCC1 SBB058805 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.8 NCCC1CCCCC1 SBB051424 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.8 NCCC1CCCCO1 SBB072556 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.8 NCCC1CCCOC1 SBB050548 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.8 NCCN1CCCCC1 SBB058602 [0,1,0,1,0,0|1,0,0]=3 185 B9R1.8 NCCN1CCNCC1 SBB004229 [0,1,0,1,0,0|1,0,0]=3 186 B9R1.8 NCCN1CCOCC1 SBB028239 [0,1,0,1,0,0|0,0,0]=2 187 B9R1.8 OCCC1CCCCN1 SBB027305 [0,1,0,1,0,0|1,0,0]=3 188 B9R1.8 OCCC1CCNCC1 SBB027320 [0,1,0,1,0,0|1,0,0]=3 189 B9R1.8 OCCN1CCCCC1 SBB040888 [0,1,0,1,0,0|0,0,0]=2 190 B9R1.8 OCCN1CCNCC1 SBB004225 [0,1,0,1,0,0|0,0,0]=2 191 B9R1.8 OCCN1CCOCC1 SBB004221 [0,1,0,1,0,0|0,0,0]=2 192 B9R1.134 NCCC1(O)CCCC1 SBB050900 [0,1,0,1,0,0|2,0,0]=4 193 B9R2.39 N[C@H]1C[C@@H]2CCC1C2 SBB017219 [0,0,0,2,0,0|2,0,0]=4 194 B9R2.49 C1CN2CCN1CC2 SBB060902 [0,0,0,2,0,0|1,0,0]=3