0 B7R0.12 CCC(\C=N\O)CC CS-0849967 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.12 CCCC(CO)CO CS-W011220 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.12 CCN(CC)CCBr CS-0076417 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.12 CCN(CC)CCO CS-W010936 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.12 COC(CCBr)OC CS-W023200 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.1 CC(CO)CCN CS-0154050 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.1 CC(CO)CCO CS-0517219 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 CCCC(Cl)CC CS-0102884 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.1 CCOC(C)CC CS-0196425 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.1 CNC(=O)CCO CS-0188403 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.1 COC(=O)CCO CS-0022864 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 COC(C)CCO CS-W013686 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.1 OCCC(O)CO CS-0008443 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 OCC[C@H](O)CO CS-0000034 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.9 CCC(CC)CBr CS-0132321 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.9 CCC(CC)NN CS-0210677 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.9 CCN(C=O)CC CS-W009551 [1,0,0,0,0,0|0,0,2]=3 17 B6R0.9 CCN(CC)CC CS-0152028 [1,0,0,0,0,0|0,0,0]=1 18 B6R0.9 CCN(CC)CC CS-0187700 [1,0,0,0,0,0|0,0,0]=1 19 B6R0.9 CCN(CC)CC CS-0199232 [1,0,0,0,0,0|0,0,0]=1 20 B6R0.9 CCN(CC)N=O CS-0128799 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.9 COC(CO)OC CS-W011294 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.9 OCC(CO)CO CS-W005889 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.11 CCCCC(CC)CBr CS-W004392 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.11 CCCCC(CC)CCl CS-W016329 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.11 CCCCC(CC)CO CS-0016002 [0,1,0,0,0,0|3,0,0]=4 26 B8R0.11 CCN(CC)CCC#N CS-0235841 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.11 CCN(CC)CCCO CS-W011099 [0,1,0,0,0,0|0,0,0]=1 28 B8R0.16 CCC(CO)CC(C)C CS-0152610 [0,1,0,0,0,0|3,0,0]=4 29 B8R0.16 CCN(CC)CC(=O)O CS-0044402 [0,1,0,0,0,0|0,0,1]=2 30 B8R0.20 CCC(=O)N(CC)CC CS-0196438 [0,1,0,0,0,0|1,0,1]=3 31 B8R0.20 CCN(CC)C(=O)CCl CS-0116591 [0,1,0,0,0,0|1,0,1]=3 32 B8R0.20 CCN(CC)C(=O)CO CS-0061509 [0,1,0,0,0,0|0,0,1]=2 33 B8R0.20 CCN(CC)C(=S)S[Ag] CS-0085569 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.20 CCN(CC)C(=S)S[Na] CS-W010438 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.22 CCCC(CO)CCC CS-0204896 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.22 CCCN(C=O)CCC CS-W011117 [0,1,0,0,0,0|2,0,1]=4 37 B8R1.1 COC1CCC(N)C1 CS-0051286 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 CS-0043961 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.1 OC[C@H]1C[C@@H](O)CN1 CS-0181811 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.1 OC[C@H]1C[C@H](O)CN1 CS-0053224 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.2 BrCC1CCCCC1 CS-W007517 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.2 BrCC1CCNCC1 CS-W001304 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.2 BrCC1CCOCC1 CS-W003105 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.2 C#CC1CCOCC1 CS-0050867 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.2 CCC1CCNCC1 CS-0147296 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.2 CNC1CCNCC1 CS-0048783 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.2 CNC1CCOCC1 CS-D1570 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.2 COC1CCNCC1 CS-0040128 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.2 COC1CCNCC1 CS-W005038 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.2 CSC1CCNCC1 CS-0051141 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.2 ClCC1CCNCC1 CS-0051167 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.2 ClCC1CCOCC1 CS-0069602 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.2 ICC1CCCCC1 CS-0155327 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.2 ICC1CCOCC1 CS-W001910 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.2 N#CC1CCOCC1 CS-W019661 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.2 N#CN1CCOCC1 CS-W016616 [0,0,0,1,0,0|1,0,1]=3 57 B8R1.2 NCC1CCNCC1 CS-W011241 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.2 NCC1CCOCC1 CS-0036420 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.2 NCC1CCOCC1 CS-W008973 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.2 NCC1CCSCC1 CS-0045666 [0,0,0,1,0,0|2,1,0]=4 61 B8R1.2 NNC1CCOCC1 CS-0037407 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.2 NNC1CCOCC1 CS-0047579 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.2 NNC1CCOCC1 CS-B0289 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.2 O=CC1CCOCC1 CS-D1228 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.2 O=CN1CCCCC1 CS-W016610 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.2 O=CN1CCNCC1 CS-W016606 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.2 O=CN1CCOCC1 CS-W016603 [0,0,0,1,0,0|1,0,1]=3 68 B8R1.2 O=NN1CCOCC1 CS-0128913 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.2 OCC1CCCCC1 CS-W011242 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.2 OCC1CCNCC1 CS-0185406 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.2 OCC1CCNCC1 CS-W002476 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.2 OCC1CCOCC1 CS-D1227 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.2 OCC1CCSCC1 CS-0053969 [0,0,0,1,0,0|2,1,0]=4 74 B8R1.2 ON=C1CCOCC1 CS-0045844 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.8 BrCCN1CCCC1 CS-0040578 [0,0,0,1,0,0|1,0,0]=2 76 B8R1.8 C#CCN1CCCC1 CS-0058395 [0,0,0,1,0,0|1,0,1]=3 77 B8R1.8 C#CCN1CCCC1 CS-W005949 [0,0,0,1,0,0|1,0,1]=3 78 B8R1.8 ClCCN1CCCC1 CS-D1148 [0,0,0,1,0,0|1,0,0]=2 79 B8R1.8 N#CCC1CCCC1 CS-0060786 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.8 N#CCN1CCCC1 CS-0155280 [0,0,0,1,0,0|1,0,1]=3 81 B8R1.8 N#CCN1CCCC1 CS-0155281 [0,0,0,1,0,0|1,0,1]=3 82 B8R1.8 NCCC1CCCC1 CS-W006125 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.8 NCCN1CCCC1 CS-D1372 [0,0,0,1,0,0|1,0,0]=2 84 B8R1.8 OCCC1CCCC1 CS-0055010 [0,0,0,1,0,0|1,0,0]=2 85 B8R1.8 OCCC1CCCO1 CS-0451231 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.8 OCCC1CCOC1 CS-0240119 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.8 OCCN1CCOC1 CS-0374348 [0,0,0,1,0,0|1,0,0]=2 88 B8R1.8 OCC[C@H]1CCCN1 CS-0572825 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.11 CCN1CCCC1=O CS-W013650 [0,0,0,1,0,0|2,0,1]=4 90 B5R0.1 CC(C)=CCO CS-W013751 [2,0,0,0,0,0|1,0,1]=4 91 B5R0.1 CC(N)CCO CS-W004841 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.1 CC(O)CCO CS-0115644 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.1 CN(C)CCBr CS-W004693 [2,0,0,0,0,0|1,0,0]=3 94 B5R0.1 C[C@@H](N)CCO CS-W013746 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.1 C[C@@H](O)CCO CS-M1638 [2,0,0,0,0,0|2,0,0]=4 96 B5R0.1 C[C@H](N)CCO CS-W019851 [2,0,0,0,0,0|2,0,0]=4 97 B5R0.1 C[C@H](O)CCO CS-W016671 [2,0,0,0,0,0|2,0,0]=4 98 B5R0.2 CCC#CCO CS-0143646 [2,0,0,0,0,0|1,0,1]=4 99 B5R0.2 CCNCCO CS-0076051 [2,0,0,0,0,0|0,0,0]=2 100 B5R0.2 CCSCCN CS-0663845 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.2 CNCCCO CS-W007469 [2,0,0,0,0,0|2,0,0]=4 102 B5R0.2 CSCCCO CS-0015993 [2,0,0,0,0,0|2,0,0]=4 103 B5R0.2 C\C=C\CCO CS-0162245 [2,0,0,0,0,0|1,0,1]=4 104 B5R0.2 NCCCCO CS-W002041 [2,0,0,0,0,0|2,0,0]=4 105 B5R0.2 OCCCCBr CS-W000344 [2,0,0,0,0,0|2,0,0]=4 106 B5R0.2 OCCCCCl CS-0022417 [2,0,0,0,0,0|2,0,0]=4 107 B5R0.2 OCCCCF CS-0116811 [2,0,0,0,0,0|2,0,0]=4 108 B5R0.2 OCCNCO CS-0203827 [2,0,0,0,0,0|1,0,0]=3 109 B5R0.3 CC(CN)CO CS-0447291 [2,0,0,0,0,0|2,0,0]=4 110 B5R0.3 CC(CO)CBr CS-0139638 [2,0,0,0,0,0|2,0,0]=4 111 B5R0.3 CC(CO)CO CS-0021060 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.3 CCC(=O)CO CS-W005327 [2,0,0,0,0,0|2,0,0]=4 113 B5R0.3 CCC(Br)CC CS-0015742 [2,0,0,0,0,0|2,0,0]=4 114 B5R0.3 CCC(N)CC CS-0128806 [2,0,0,0,0,0|2,0,0]=4 115 B5R0.3 CCC(O)CC CS-0128838 [2,0,0,0,0,0|1,0,0]=3 116 B5R0.3 CCC(O)CN CS-0109319 [2,0,0,0,0,0|2,0,0]=4 117 B5R0.3 CCS(=O)CC CS-0199213 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.3 CC[C@@H](C)CBr CS-0539690 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.3 CC[C@@H](N)CO CS-W020734 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.3 CC[C@H](C)CO CS-0139702 [2,0,0,0,0,0|1,0,0]=3 121 B5R0.3 CC[C@H](N)CO CS-W013745 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.3 CC[C@H](O)CO CS-0031373 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.3 CNC(C)CO CS-0197105 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.3 CN[C@@H](C)CO CS-0139480 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.3 CN[C@@H](C)CO CS-0162089 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.3 CN[C@H](C)CO CS-0162211 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.3 CO[C@@H](C)CO CS-0096324 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.3 CO[C@H](C)CO CS-W011349 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.3 C[C@@H](CO)CBr CS-0101486 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [2,0,0,0,0,0|2,0,0]=4 131 B7R0.2 CCC(C)CC(=O)O CS-W011229 [1,1,0,0,0,0|1,0,1]=4 132 B7R0.2 CCC(C)CC(C)N CS-W016309 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.2 CCN(C)CC(=O)O CS-0144155 [1,1,0,0,0,0|0,0,1]=3 134 B7R0.2 CC[C@H](C)CC(=O)O CS-W002937 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.3 C[C@@H](CN)CCCO CS-0368510 [1,1,0,0,0,0|2,0,0]=4 136 B7R0.5 CC(=O)N(C)CCO CS-0112257 [1,1,0,0,0,0|0,0,1]=3 137 B7R0.7 C#CCN(C)CCO CS-0198423 [1,1,0,0,0,0|0,0,1]=3 138 B7R0.7 CC(CCBr)CCBr CS-0182622 [1,1,0,0,0,0|2,0,0]=4 139 B7R0.7 CC(CCO)CCO CS-0188324 [1,1,0,0,0,0|1,0,0]=3 140 B7R0.7 CCC[C@H](N)CCO CS-0152589 [1,1,0,0,0,0|2,0,0]=4 141 B7R0.7 CCOC(=O)CCO CS-0139545 [1,1,0,0,0,0|2,0,0]=4 142 B7R0.7 CN(CCN)CCN CS-0151248 [1,1,0,0,0,0|1,0,0]=3 143 B7R0.7 OCCC(O)CCO CS-0469963 [1,1,0,0,0,0|2,0,0]=4 144 B7R0.10 [C@H](C)(CC)[C@H](N)CO CS-W016591 [1,1,0,0,0,0|1,0,0]=3 145 B7R0.11 COC(C)(C)CCO CS-0132453 [1,1,0,0,0,0|2,0,0]=4 146 B7R0.11 C[N+](C)(CI)CCO CS-0188274 [1,1,0,0,0,0|1,0,1]=4 147 B7R0.15 CC(C)C(CN)CO CS-0144311 [1,1,0,0,0,0|2,0,0]=4 148 B7R0.15 CCC(CC)C(C)=O CS-0149235 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.15 CCN(CC)C(=S)S CS-0187366 [1,1,0,0,0,0|0,1,1]=4 150 B7R0.15 CCN(CC)C(C)=O CS-W009545 [1,1,0,0,0,0|0,0,1]=3 151 B7R0.18 CCC(Br)(CC)CC CS-0197400 [1,1,0,0,0,0|1,0,0]=3 152 B7R0.18 CCC(N)(CO)CO CS-0089934 [1,1,0,0,0,0|2,0,0]=4 153 B7R0.18 CC[N+](C)(CC)CC CS-0153897 [1,1,0,0,0,0|0,0,1]=3 154 B7R0.18 CC[N+](C)(CC)CC CS-0153898 [1,1,0,0,0,0|0,0,1]=3 155 B7R0.18 CC[Si](O)(CC)CC CS-0153892 [1,1,0,0,0,0|1,0,0]=3 156 B9R0.26 CCN(CC)CC(=O)O[Na] CS-0017849 [0,2,0,0,0,0|0,0,1]=3 157 B9R0.37 CCCC(=O)N(CC)CC CS-0820898 [0,2,0,0,0,0|1,0,0]=3 158 B9R0.37 CCN(CC)C(=O)CC#N CS-0112885 [0,2,0,0,0,0|1,0,1]=4 159 B9R0.33 CC(C)N(CCN)C(C)C CS-W011005 [0,2,0,0,0,0|1,0,0]=3 160 B9R0.17 CCOC(CCCl)OCC CS-0199408 [0,2,0,0,0,0|2,0,0]=4 161 B9R0.17 CCOC(CCN)OCC CS-0098622 [0,2,0,0,0,0|2,0,0]=4 162 B9R0.17 CCOC(CCO)OCC CS-0046319 [0,2,0,0,0,0|1,0,0]=3 163 B9R0.17 NCCN(CCN)CCN CS-W016352 [0,2,0,0,0,0|1,0,0]=3 164 B7R1.1 BrCC1CCOC1 CS-W004268 [1,0,0,1,0,0|2,0,0]=4 165 B7R1.1 CN[C@H]1CCOC1 CS-0053255 [1,0,0,1,0,0|2,0,0]=4 166 B7R1.1 ICC1CCOC1 CS-W004269 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.1 NCC1CCOC1 CS-W004787 [1,0,0,1,0,0|2,0,0]=4 168 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.1 NC[C@@H]1CCOC1 CS-0053252 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.1 OCC1CCOC1 CS-D1159 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.2 CN1CCC(=O)C1 CS-0172438 [1,0,0,1,0,0|0,0,2]=4 173 B7R1.2 CN1CCC(N)C1 CS-0151106 [1,0,0,1,0,0|1,0,0]=3 174 B7R1.2 CN1CCC(O)C1 CS-M2838 [1,0,0,1,0,0|0,0,0]=2 175 B7R1.2 CN1CC[C@@H](N)C1 CS-0053339 [1,0,0,1,0,0|1,0,0]=3 176 B7R1.2 CN1CC[C@@H](N)C1 CS-0183704 [1,0,0,1,0,0|1,0,0]=3 177 B7R1.2 CN1CC[C@H](N)C1 CS-0053279 [1,0,0,1,0,0|1,0,0]=3 178 B7R1.2 CN1CC[C@H](O)C1 CS-W003109 [1,0,0,1,0,0|0,0,0]=2 179 B7R1.2 C[C@@H]1C[C@H](O)CN1 CS-0053223 [1,0,0,1,0,0|2,0,0]=4 180 B7R1.2 C[C@H]1C[C@@H](O)CN1 CS-0053292 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.2 NC1CCC(O)C1 CS-0083804 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.2 NC1CCC(O)C1 CS-W005211 [1,0,0,1,0,0|2,0,0]=4 183 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-0053617 [1,0,0,1,0,0|2,0,0]=4 184 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-W018626 [1,0,0,1,0,0|2,0,0]=4 185 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0044036 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0058643 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-0062467 [1,0,0,1,0,0|2,0,0]=4 188 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-B1526 [1,0,0,1,0,0|2,0,0]=4 189 B7R1.2 N[C@H]1CC[C@H](O)C1 CS-0053559 [1,0,0,1,0,0|2,0,0]=4 190 B7R1.2 N[C@H]1CC[C@H](O)C1 CS-0131617 [1,0,0,1,0,0|2,0,0]=4 191 B7R1.2 O=C1CCC(O)C1 CS-0051334 [1,0,0,1,0,0|2,0,0]=4 192 B7R1.2 OC1CCC(O)C1 CS-0049625 [1,0,0,1,0,0|2,0,0]=4 193 B7R1.2 O[C@@H]1CC[C@@H](O)C1 CS-0056775 [1,0,0,1,0,0|2,0,0]=4 194 B7R1.2 [C@@H]1(O)CCN(C)C1 CS-W013705 [1,0,0,1,0,0|0,0,0]=2 195 B7R1.3 BrC1CCOCC1 CS-W003396 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.3 CC1CCOCC1 CS-0233092 [1,0,0,1,0,0|1,0,0]=3 197 B7R1.3 CC1CCOCO1 CS-0181838 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.3 CN1CCNCC1 CS-W017563 [1,0,0,1,0,0|1,0,0]=3 199 B7R1.3 ClC1CCOCC1 CS-W016579 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.3 IC1CCOCC1 CS-W004278 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.3 NC1CCOCC1 CS-B0654 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.3 NC1CCOCC1 CS-W002372 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.3 NN1CCCCC1 CS-W007639 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.3 NN1CCOCC1 CS-W001074 [1,0,0,1,0,0|1,0,0]=3 205 B7R1.3 O=C1CCOCC1 CS-D0601 [1,0,0,1,0,0|2,0,0]=4 206 B7R1.3 OC1CCOCC1 CS-W004264 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.3 ON1CCCCC1 CS-W016646 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.4 CC1OCCC1=O CS-W011324 [1,0,0,1,0,0|2,0,0]=4 209 B7R1.4 CC1OCCC1S CS-W013594 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.4 CN1CCOC1=O CS-W016647 [1,0,0,1,0,0|1,0,1]=4 211 B7R1.6 N#CCN1CCC1 CS-0184229 [1,0,0,1,0,0|1,0,1]=4 212 B7R1.6 NCCN1CCC1 CS-0127626 [1,0,0,1,0,0|1,0,0]=3 213 B7R1.6 OCCC1COC1 CS-0052216 [1,0,0,1,0,0|2,0,0]=4 214 B7R1.6 OCCN1CCC1 CS-D0268 [1,0,0,1,0,0|0,0,0]=2 215 B7R1.8 CN1CC[C@@H]1CO CS-0172773 [1,0,0,1,0,0|0,0,0]=2 216 B7R1.9 OC[C@H]1C[C@H]1CO CS-0053077 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.10 CCN1CC(N)C1 CS-0184403 [1,0,0,1,0,0|1,0,0]=3 218 B7R1.10 CNC1CC(O)C1 CS-0051674 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.10 COC1CC(O)C1 CS-0056983 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.10 OCC1CC(O)C1 CS-0186717 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.29 COC1(CO)CC1 CS-0138990 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.29 NCC1(CO)CC1 CS-0072215 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.29 OCC1(CO)CC1 CS-W002626 [1,0,0,1,0,0|2,0,0]=4 224 B9R1.1 CCC1CCC(=O)CC1 CS-0226152 [0,1,0,1,0,0|1,0,1]=4 225 B9R1.1 CCC1CCC(N)CC1 CS-0216065 [0,1,0,1,0,0|2,0,0]=4 226 B9R1.1 CCC1CCC(O)CC1 CS-0152471 [0,1,0,1,0,0|1,0,0]=3 227 B9R1.1 CCN1CCC(=O)CC1 CS-0046794 [0,1,0,1,0,0|0,0,1]=3 228 B9R1.1 CCN1CCC(N)CC1 CS-0069841 [0,1,0,1,0,0|1,0,0]=3 229 B9R1.1 CCN1CCC(O)CC1 CS-M1296 [0,1,0,1,0,0|0,0,0]=2 230 B9R1.1 CN[C@H]1CC[C@H](O)CC1 CS-0159400 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.1 CN[C@H]1CC[C@H](O)CC1 CS-W019271 [0,1,0,1,0,0|2,0,0]=4 232 B9R1.1 COC1CCC(O)CC1 CS-W005092 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.1 CO[C@H]1CC[C@H](O)CC1 CS-0187696 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.1 OCC1CCC(O)CC1 CS-W013434 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.1 OC[C@H]1CC[C@H](O)CC1 CS-0058281 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.12 BrCCCN1CCCC1 CS-W007182 [0,1,0,1,0,0|1,0,0]=3 237 B9R1.12 ClCCCN1CCCC1 CS-0155277 [0,1,0,1,0,0|1,0,0]=3 238 B9R1.12 NCCCN1CCCC1 CS-W007457 [0,1,0,1,0,0|1,0,0]=3 239 B9R1.12 NCCOC1CCCC1 CS-0155346 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.12 OCCCN1CCCC1 CS-W005320 [0,1,0,1,0,0|0,0,0]=2 241 B9R1.15 C[C@H]1OCCN[C@@H]1CO CS-0103643 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.21 OC[C@@H]1CC[C@H](CO)O1 CS-0005835 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.89 CCN1CCCNCC1 CS-0124385 [0,1,0,1,0,0|1,0,0]=3 244 B9R1.6 CC(=O)C1CCOCC1 CS-D1226 [0,1,0,1,0,0|1,0,1]=4 245 B9R1.6 CC(=O)N1CCCCC1 CS-0155037 [0,1,0,1,0,0|1,0,1]=4 246 B9R1.6 CC(=O)N1CCNCC1 CS-W007382 [0,1,0,1,0,0|1,0,1]=4 247 B9R1.6 CC(=O)N1CCOCC1 CS-W011119 [0,1,0,1,0,0|0,0,1]=3 248 B9R1.6 CC(C)C1CCNCC1 CS-0096311 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.6 CC(N)C1CCCCC1 CS-0136579 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.6 CC(N)C1CCOCC1 CS-0196712 [0,1,0,1,0,0|1,0,0]=3 251 B9R1.6 CC(O)C1CCCCC1 CS-0109616 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.6 CC(O)C1CCOCC1 CS-W004281 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.6 C[C@@H](N)C1CCCCC1 CS-0343288 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.6 C[C@@H](O)C1CCCCC1 CS-0144970 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.6 C[C@H](N)C1CCCCC1 CS-0136578 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.6 F[S+](F)N1CCOCC1 CS-0069550 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.6 N=C(N)N1CCOCC1 CS-0020066 [0,1,0,1,0,0|1,0,1]=4 258 B9R1.6 N=C(N)N1CCOCC1 CS-0149473 [0,1,0,1,0,0|1,0,1]=4 259 B9R1.6 N=C(N)N1CCOCC1 CS-0155197 [0,1,0,1,0,0|1,0,1]=4 260 B9R1.6 NC(=O)N1CCOCC1 CS-0144907 [0,1,0,1,0,0|1,0,1]=4 261 B9R1.6 NC(=S)N1CCOCC1 CS-0133067 [0,1,0,1,0,0|1,0,1]=4 262 B9R1.33 CN1CCCC1CCO CS-W013446 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.33 NCCN1CCOC1=O CS-0040773 [0,1,0,1,0,0|1,0,1]=4 264 B9R1.33 O=C1CCCN1CCBr CS-0040579 [0,1,0,1,0,0|1,0,1]=4 265 B9R1.33 O=C1CCCN1CCCl CS-0036362 [0,1,0,1,0,0|1,0,1]=4 266 B9R1.33 O=C1NCCN1CCO CS-0077124 [0,1,0,1,0,0|1,0,1]=4 267 B9R1.35 CC(=O)N1CCC(O)C1 CS-0155043 [0,1,0,1,0,0|0,0,1]=3 268 B9R1.35 CC(=O)N1CC[C@@H](O)C1 CS-0052712 [0,1,0,1,0,0|0,0,1]=3 269 B9R1.2 CCN1CCCC(O)C1 CS-0075008 [0,1,0,1,0,0|0,0,0]=2 270 B9R1.2 CCN1CCC[C@@H](N)C1 CS-0311909 [0,1,0,1,0,0|1,0,0]=3 271 B9R1.2 CCN1CCNC(=O)C1 CS-0145869 [0,1,0,1,0,0|0,0,2]=4 272 B9R1.13 O=C(O)CC1CCCC1 CS-W007405 [0,1,0,1,0,0|1,0,1]=4 273 B9R1.13 O=C(O)CN1CCCC1 CS-W004008 [0,1,0,1,0,0|0,0,1]=3 274 B9R1.13 O=C(O)CN1CCCC1 CS-W020371 [0,1,0,1,0,0|0,0,1]=3 275 B9R1.13 OB(O)CC1CCCC1 CS-0243064 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.11 C[C@@H](CO)N1CCCC1 CS-0492203 [0,1,0,1,0,0|0,0,0]=2 277 B9R1.11 NCC(=O)N1CCCC1 CS-0055114 [0,1,0,1,0,0|1,0,1]=4 278 B9R1.11 O=C(CBr)N1CCCC1 CS-0461588 [0,1,0,1,0,0|1,0,1]=4 279 B9R1.11 O=C(CCl)N1CCCC1 CS-0037280 [0,1,0,1,0,0|1,0,1]=4 280 B9R1.14 CCN1CCCC1CN CS-W013458 [0,1,0,1,0,0|1,0,0]=3 281 B9R1.14 CCN1CCC[C@H]1CN CS-W002498 [0,1,0,1,0,0|1,0,0]=3 282 B9R1.14 CCN1CCC[C@H]1CO CS-0159213 [0,1,0,1,0,0|0,0,0]=2 283 B9R1.8 BrCCC1CCCCC1 CS-W010732 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.8 BrCCC1CCOCC1 CS-M3430 [0,1,0,1,0,0|1,0,0]=3 285 B9R1.8 BrCCN1CCCCC1 CS-W005524 [0,1,0,1,0,0|1,0,0]=3 286 B9R1.8 BrCCN1CCOCC1 CS-W005009 [0,1,0,1,0,0|0,0,0]=2 287 B9R1.8 C#CCN1CCNCC1 CS-0106312 [0,1,0,1,0,0|1,0,1]=4 288 B9R1.8 C#CCN1CCOCC1 CS-D1616 [0,1,0,1,0,0|0,0,1]=3 289 B9R1.8 C=CCN1CCNCC1 CS-0132248 [0,1,0,1,0,0|1,0,1]=4 290 B9R1.8 C=CCN1CCOCC1 CS-0187575 [0,1,0,1,0,0|0,0,1]=3 291 B9R1.8 CCCC1CCNCC1 CS-0434112 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.8 CCCN1CCNCC1 CS-0152069 [0,1,0,1,0,0|1,0,0]=3 293 B9R1.8 CCNC1CCCCC1 CS-W016555 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.8 CCNC1CCOCC1 CS-0040480 [0,1,0,1,0,0|1,0,0]=3 295 B9R1.8 COCC1CCNCC1 CS-0051142 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.8 COCC1CCNCC1 CS-W003464 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.8 CSCC1CCNCC1 CS-0241897 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.8 ClCCN1CCCCC1 CS-B0962 [0,1,0,1,0,0|1,0,0]=3 299 B9R1.8 ClCCN1CCNCC1 CS-0453437 [0,1,0,1,0,0|1,0,0]=3 300 B9R1.8 ClCCN1CCOCC1 CS-0015128 [0,1,0,1,0,0|0,0,0]=2 301 B9R1.8 ClCCN1CCOCC1 CS-W004894 [0,1,0,1,0,0|0,0,0]=2 302 B9R1.8 FCCC1CCNCC1 CS-0480408 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.8 FCCN1CCNCC1 CS-0106300 [0,1,0,1,0,0|1,0,0]=3 304 B9R1.8 FCCN1CCNCC1 CS-0158333 [0,1,0,1,0,0|1,0,0]=3 305 B9R1.8 FCCN1CCNCC1 CS-W021204 [0,1,0,1,0,0|1,0,0]=3 306 B9R1.8 N#CCC1CCOCC1 CS-W018364 [0,1,0,1,0,0|1,0,1]=4 307 B9R1.8 N#CCN1CCNCC1 CS-0076490 [0,1,0,1,0,0|1,0,1]=4 308 B9R1.8 N#CCN1CCSCC1 CS-0249615 [0,1,0,1,0,0|0,1,1]=4 309 B9R1.8 NCCC1=CCCCC1 CS-0072656 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.8 NCCC1CCCCC1 CS-0040906 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.8 NCCC1CCCCO1 CS-0084526 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.8 NCCC1CCOCC1 CS-W002907 [0,1,0,1,0,0|1,0,0]=3 313 B9R1.8 NCCN1CCCCC1 CS-W007776 [0,1,0,1,0,0|1,0,0]=3 314 B9R1.8 NCCN1CCOCC1 CS-W016546 [0,1,0,1,0,0|0,0,0]=2 315 B9R1.8 OCCC1CCCCC1 CS-0072235 [0,1,0,1,0,0|1,0,0]=3 316 B9R1.8 OCCC1CCCCN1 CS-W001979 [0,1,0,1,0,0|1,0,0]=3 317 B9R1.8 OCCC1CCCCO1 CS-0068082 [0,1,0,1,0,0|1,0,0]=3 318 B9R1.8 OCCC1CCCNC1 CS-D1062 [0,1,0,1,0,0|1,0,0]=3 319 B9R1.8 OCCC1CCCNC1 CS-WAA0206 [0,1,0,1,0,0|1,0,0]=3 320 B9R1.8 OCCC1CCNCC1 CS-0112429 [0,1,0,1,0,0|1,0,0]=3 321 B9R1.8 OCCC1CCNCC1 CS-W013445 [0,1,0,1,0,0|1,0,0]=3 322 B9R1.8 OCCC1CCOCC1 CS-0017747 [0,1,0,1,0,0|1,0,0]=3 323 B9R1.8 OCCC1CNCCN1 CS-W006875 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.8 OCCC1COCCN1 CS-0146954 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.8 OCCN1CCCCC1 CS-W013444 [0,1,0,1,0,0|0,0,0]=2 326 B9R1.8 OCCN1CCNCC1 CS-W020134 [0,1,0,1,0,0|0,0,0]=2 327 B9R1.8 OCCN1CCOCC1 CS-0311336 [0,1,0,1,0,0|0,0,0]=2 328 B9R1.8 OCC[C@@H]1CCCCN1 CS-0060809 [0,1,0,1,0,0|1,0,0]=3 329 B9R1.8 OCC[C@@H]1CCCCN1 CS-W019797 [0,1,0,1,0,0|1,0,0]=3 330 B9R1.8 OCC[C@@H]1CNCCN1 CS-0170826 [0,1,0,1,0,0|2,0,0]=4 331 B9R1.8 [C@H]1(CCO)CCCCN1 CS-W007158 [0,1,0,1,0,0|1,0,0]=3 332 B9R1.118 CC1(CN)CCOCC1 CS-0053196 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.118 CC1(CO)CCOCC1 CS-0054747 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.118 CCC1(O)CCCCC1 CS-0032047 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.118 CCC1(O)CCNCC1 CS-0047072 [0,1,0,1,0,0|2,0,0]=4 336 B9R1.118 NC1(CO)CCOCC1 CS-0053212 [0,1,0,1,0,0|2,0,0]=4 337 B9R1.118 NCC1(F)CCOCC1 CS-W021104 [0,1,0,1,0,0|2,0,0]=4 338 B9R1.118 NCC1(O)CCOCC1 CS-0028292 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.134 CCC[N+]1(C)CCCC1 CS-0378408 [0,1,0,1,0,0|1,0,1]=4 340 B9R2.39 BrC1CC2CCC1C2 CS-0139601 [0,0,0,2,0,0|2,0,0]=4 341 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1C2 CS-0119860 [0,0,0,2,0,0|2,0,0]=4 342 B9R2.39 OC1CC2CCC1C2 CS-0214941 [0,0,0,2,0,0|1,0,0]=3 343 B9R2.39 [C@H]1(N)C[C@@H]2CC[C@H]1C2 CS-0044000 [0,0,0,2,0,0|2,0,0]=4 344 B9R2.39 [C@H]12CC[C@H](C1)[C@H](Br)C2 CS-0094482 [0,0,0,2,0,0|2,0,0]=4 345 B9R2.39 [C@H]12CC[C@H](C1)[C@H](O)C2 CS-0063194 [0,0,0,2,0,0|1,0,0]=3 346 B9R2.68 C1CN2CCC(C2)N1 CS-0052728 [0,0,0,2,0,0|1,0,0]=3 347 B9R2.49 C1CN2CCC1CC2 CS-W013663 [0,0,0,2,0,0|1,0,0]=3 348 B9R2.49 C1CN2CCN1CC2 CS-W020025 [0,0,0,2,0,0|1,0,0]=3 349 B9R2.65 OCC1C2CNCC12 CS-0129465 [0,0,0,2,0,0|2,0,0]=4 350 B9R2.65 [C@@H]12CNC[C@@H]1[C@H]2CO CS-0049369 [0,0,0,2,0,0|2,0,0]=4 351 B9R2.174 C1CC2(CCN1)CC2 CS-0036883 [0,0,0,2,0,0|2,0,0]=4 352 B9R2.174 C1CC2(CCN1)CC2 CS-0047202 [0,0,0,2,0,0|2,0,0]=4