0 B7R0.10 COC(=O)C(N)CO SBB004026 [0,0,0,0,0,0|2,1,1]=4 1 B7R0.10 ClCC(Cl)C(Cl)CCl SBB060986 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.10 OCC(Br)C(Br)CO SBB070873 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.10 OC[C@H]([C@@H](C)CC)N SBB027248 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.1 C#CC(O)CCC SBB067434 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.1 CCC(O)COC SBB072708 [1,0,0,0,0,0|2,1,0]=4 6 B6R0.1 CCCC(=O)CC SBB061496 [1,0,0,0,0,0|1,1,1]=4 7 B6R0.1 CCCC(C)CO SBB061282 [1,0,0,0,0,0|0,0,0]=1 8 B6R0.1 CCCC(O)CC SBB061363 [1,0,0,0,0,0|1,1,0]=3 9 B6R0.1 CCC\C(N)=N/O SBB028173 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 CCNC(C)CO SBB046531 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.1 CNC(C)CCO SBB046542 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.1 CNCC(C)OC SBB049894 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 COCC(O)CN SBB051203 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 OC(CBr)CCBr SBB007842 [1,0,0,0,0,0|2,1,0]=4 15 B6R0.3 C#CC(O)C(C)C SBB009138 [1,0,0,0,0,0|0,1,2]=4 16 B6R0.3 CC(CN)N(C)C SBB043927 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.3 CC(CO)[N+](=O)[O-] SBB108844 [1,0,0,0,0,0|2,1,0]=4 18 B6R0.3 CCC(Br)C(=O)O SBB040791 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.3 CCC(C)C(C)C SBB061452 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.3 COC(=O)C(C)C SBB061111 [1,0,0,0,0,0|1,1,1]=4 22 B8R0.2 CCC(C)C(Br)C(=O)O SBB069132 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)O SBB037854 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.3 CCN(C)C(C)CCN SBB046528 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.3 O=CC[C@H](O)[C@H](O)CO SBB067136 [0,1,0,0,0,0|1,1,1]=4 26 B8R0.20 CCN(CC)C(C)CN SBB016418 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.5 BrC1CCCC[C@@H]1Br SBB060495 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.5 CC1CCCCC1=O SBB058517 [0,0,0,1,0,0|1,1,1]=4 29 B8R1.5 CC1CCCCC1N SBB061724 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.5 CC1CCCCN1C SBB060747 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.5 CC1CCCNC1C SBB027556 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.5 CC1CNCCC1O SBB300760 [0,0,0,1,0,0|1,1,0]=3 33 B8R1.5 Cl[C@H]1CCCC[C@H]1Cl SBB007831 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.5 FC1CCCCC1Br SBB089745 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.5 N[C@@H]1CCCC[C@H]1N SBB007639 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.5 O[C@@H]1CCCC[C@H]1O SBB007679 [0,0,0,1,0,0|2,1,0]=4 37 B8R1.5 O[C@H]1CCCC[C@H]1O SBB007678 [0,0,0,1,0,0|2,1,0]=4 38 B8R1.11 CN1CCCC1CO SBB108833 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.12 NC[C@@H]1CC[C@H]1CN SBB052512 [0,0,0,1,0,0|3,0,0]=4 40 B8R0.19 CC(CCl)OC(C)CCl SBB056536 [0,0,0,0,0,1|3,0,0]=4 41 B8R0.19 CCC(=O)OC(C)CC SBB061103 [0,0,0,0,0,1|1,1,1]=4 42 B8R0.19 CCC(C)NC(C)CC SBB059801 [0,0,0,0,0,1|2,0,0]=3 43 B8R0.19 CCN(C)CC(C)CN SBB046527 [0,0,0,0,0,1|3,0,0]=4 44 B5R0.1 CC(C)CCBr SBB061181 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.1 CC(C)CCO SBB060162 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.1 CC(C)CNN SBB042741 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.1 CN(C)CCBr SBB073020 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.1 CN(C)CCN SBB007533 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 [NH+](C)(C)CCCl SBB057087 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.2 BrCCCCBr SBB060204 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.2 CC#CCCO SBB009118 [2,0,0,0,0,0|0,0,2]=4 52 B5R0.2 CCC#CCO SBB009120 [2,0,0,0,0,0|0,0,2]=4 53 B5R0.2 CCCCCBr SBB059933 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.2 CCCCCCl SBB059951 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.2 CCOCCBr SBB008332 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.2 CCOCCCl SBB061015 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.2 CCOCCN SBB072161 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.2 CCSCCN SBB017894 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.2 CNCCCN SBB059823 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.2 CSCCCO SBB056451 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.2 FCCCCBr SBB087044 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.2 NCCCCN SBB059998 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.2 OCCCCCl SBB002444 [2,0,0,0,0,0|1,0,0]=3 64 B5R0.3 CCC(C)CBr SBB007669 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.3 CCC(Cl)CCl SBB060453 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.3 CCC(N)CC SBB000050 [2,0,0,0,0,0|1,0,0]=3 67 B5R0.3 CCC(N)CC SBB071911 [2,0,0,0,0,0|1,0,0]=3 68 B5R0.3 OCC(O)CCl SBB060480 [2,0,0,0,0,0|1,1,0]=4 69 B7R0.2 CC(CO)CN(C)C SBB046544 [1,1,0,0,0,0|1,0,0]=3 70 B7R0.2 CCC(C)CC(=O)O SBB008180 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.3 CC(CN)CCCN SBB058625 [1,1,0,0,0,0|1,0,0]=3 72 B7R0.3 CCCCC(Cl)CCl SBB060394 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.3 CCN(C)CCCO SBB046555 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.3 CCNCC(O)CC SBB072921 [1,1,0,0,0,0|1,1,0]=4 75 B7R0.3 CCOCC(O)CN SBB017905 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.3 OC[C@H](CCSC)N SBB006701 [1,1,0,0,0,0|1,0,0]=3 77 B7R0.5 CC(CCO)N(C)C SBB046554 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.5 CCCC(Br)C(=O)O SBB065976 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.5 CCCC(C)C(=O)O SBB065915 [1,1,0,0,0,0|0,0,1]=3 80 B7R0.5 CCCC(C)C(C)O SBB061491 [1,1,0,0,0,0|0,0,0]=2 81 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.7 CCCC(N)CCC SBB018801 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.7 CCCC(O)CCC SBB061327 [1,1,0,0,0,0|1,1,0]=4 84 B7R0.7 CCCN(C)CCC SBB061592 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.7 CCNC(C)CCO SBB046562 [1,1,0,0,0,0|1,0,0]=3 86 B7R0.7 CCOC(C)OCC SBB058503 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.11 C#CC(C)(O)CCC SBB002538 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.11 CCS(=O)(=O)CCO SBB008148 [1,1,0,0,0,0|1,1,0]=4 89 B7R0.12 CCCC(CO)CO SBB059211 [1,1,0,0,0,0|0,0,0]=2 90 B7R0.12 CCN(CC)CCO SBB058521 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.14 CCC(O)C(C)(C)C SBB008540 [1,1,0,0,0,0|0,1,0]=3 92 B9R0.25 CC(CO)C(O)C(C)(C)C SBB061329 [0,2,0,0,0,0|0,1,0]=3 93 B9R0.37 CCCC(O)C(CC)CO SBB060488 [0,2,0,0,0,0|0,1,0]=3 94 B7R1.1 BrCC1CCCC1 SBB054968 [1,0,0,1,0,0|1,0,0]=3 95 B7R1.1 BrCC1CCCO1 SBB003909 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.1 ClCC1CCCN1 SBB018633 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.1 ClCC1CCCO1 SBB008957 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.1 N#CC1CCCC1 SBB008886 [1,0,0,1,0,0|1,0,1]=4 99 B7R1.1 NCC1CCCO1 SBB028168 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.1 NNC1CCCC1 SBB301621 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.1 O=CC1CCCC1 SBB069481 [1,0,0,1,0,0|0,0,2]=4 102 B7R1.1 OCC1CCCC1 SBB008516 [1,0,0,1,0,0|0,0,0]=2 103 B7R1.1 OCC1CCCO1 SBB058567 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.1 OCC1CCNC1 SBB046413 [1,0,0,1,0,0|1,0,0]=3 105 B7R1.1 OCC1OCCO1 SBB059646 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.1 OC[C@H]1CCCN1 SBB027252 [1,0,0,1,0,0|1,0,0]=3 107 B7R1.1 ON=C1CCCC1 SBB060393 [1,0,0,1,0,0|1,0,1]=4 108 B7R1.3 BrC1CCCCC1 SBB059944 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.3 BrC1CCNCC1 SBB054613 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.3 CC1CC=CCC1 SBB060473 [1,0,0,1,0,0|1,0,1]=4 111 B7R1.3 CC1CCCCC1 SBB061163 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.3 CN1CCCCC1 SBB060237 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.3 CN1CCOCC1 SBB061013 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.3 ClC1CCOCC1 SBB070678 [1,0,0,1,0,0|1,0,0]=3 115 B7R1.3 FC1CCCNC1 SBB070684 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.3 FC1CCNCC1 SBB070685 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.3 N1CCC(C)CC1 SBB027302 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.3 N1CCCC(C)C1 SBB027301 [1,0,0,1,0,0|1,0,0]=3 119 B7R1.3 N1CCCC(O)C1 SBB004193 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.3 N1CCCCC1C SBB027300 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.3 N1CCNC(C)C1 SBB027299 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.3 NC1CCCCC1 SBB040492 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.3 NC1CCCNC1 SBB052004 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.3 NC1CCCOC1 SBB012974 [1,0,0,1,0,0|1,0,0]=3 125 B7R1.3 NC1CCNCC1 SBB028166 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.3 NC1CCOCC1 SBB014873 [1,0,0,1,0,0|1,0,0]=3 127 B7R1.3 NC1CCOCC1 SBB069906 [1,0,0,1,0,0|1,0,0]=3 128 B7R1.3 NN1CCOCC1 SBB004363 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.3 N[C@H]1CCCNC1 SBB017596 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.3 O=C1CCOCC1 SBB049627 [1,0,0,1,0,0|0,1,1]=4 132 B7R1.3 OC1CCCCC1 SBB060483 [1,0,0,1,0,0|1,1,0]=4 133 B7R1.3 OC1CCCNC1 SBB027351 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.3 OC1CCNCC1 SBB027346 [1,0,0,1,0,0|1,1,0]=4 135 B7R1.3 OC1CCOCC1 SBB055945 [1,0,0,1,0,0|0,1,0]=3 136 B7R1.4 BrC1CCCC1Br SBB060684 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.4 ClC1CCCC1Cl SBB060212 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.4 N[C@@H]1CSC[C@H]1O SBB014689 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.4 OC1CCCC1Cl SBB060196 [1,0,0,1,0,0|1,0,0]=3 140 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [1,0,0,1,0,0|1,0,0]=3 141 B7R1.10 O=C1CC(CO)C1 SBB054867 [1,0,0,1,0,0|1,0,1]=4 142 B7R1.25 CC1(CN)COC1 SBB303303 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.25 CC1(CO)COC1 SBB006512 [1,0,0,1,0,0|1,0,0]=3 144 B7R1.25 CC1(CO)COC1 SBB009078 [1,0,0,1,0,0|1,0,0]=3 145 B9R1.2 CN1CCCC(CO)C1 SBB108760 [0,0,0,1,0,1|2,0,0]=4 146 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [0,0,0,1,0,1|0,1,1]=4 147 B9R1.3 CC1CCCC(N)C1C SBB061727 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.11 CC(CO)N1CCCC1 SBB046591 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.15 CN1CCCCC1CO SBB062716 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.15 CN[C@H]1CCCC[C@@H]1O SBB302548 [0,1,0,1,0,0|1,1,0]=4 151 B9R1.15 CN[C@H]1CCCC[C@H]1O SBB302547 [0,1,0,1,0,0|1,1,0]=4 152 B9R1.15 O=C1CCCCC1CO SBB054864 [0,1,0,1,0,0|0,1,1]=4 153 B9R1.33 CN1CCCC1CCO SBB056164 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.33 NN1CCC[C@@H]1COC SBB017518 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.33 NN1CCC[C@H]1COC SBB017520 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.14 CCN1CCCC1CO SBB108758 [0,1,0,1,0,0|2,0,0]=4 157 B9R2.39 N[C@H]1C[C@@H]2CCC1C2 SBB017219 [0,0,0,2,0,0|2,0,0]=4 158 B9R2.24 C12CCC(CC1)C2Br SBB054711 [0,0,0,2,0,0|2,0,0]=4