0 B6R0.1 C#CC(O)CCC CS-W016658 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.1 C=CCC(N)CO CS-0197807 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 C=CC[C@@H](N)CO CS-0162183 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 CC(CO)CCN CS-0154050 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CC(CO)CCO CS-0517219 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CCC(=O)COC CS-0213932 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.1 CCCC(=O)NN CS-0152447 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 CCCC(Cl)CC CS-0102884 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.1 CCCC(N)C#N CS-0255763 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.1 CCCC(O)CO CS-0017222 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.1 CCC[C@H](N)CO CS-M1841 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.1 CCNC(=O)CBr CS-0239382 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.1 CCOC(=O)CN CS-W020007 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.1 CCOC(=O)CO CS-W019892 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.1 CCOC(C)CC CS-0196425 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.1 CNC(=O)CCCl CS-0143787 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.1 CNC(=O)CCO CS-0188403 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.1 CNC(C)COC CS-0301311 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.1 CNCC(O)CO CS-0151017 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.1 COC(=O)CCBr CS-W008728 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.1 COC(=O)CCCl CS-0131786 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.1 COC(=O)CCI CS-0615889 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.1 COC(=O)CCN CS-W007648 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.1 COC(=O)CCO CS-0022864 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.1 COC(=O)CCS CS-0000049 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.1 COC(C)CCO CS-W013686 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.1 COCC(N)CO CS-0106469 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.1 COCC(O)CN CS-0106474 [0,0,0,0,0,0|2,0,0]=2 29 B6R0.1 N#CC[C@H](O)CCl CS-0096879 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.1 OCCC(O)CO CS-0008443 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.1 OCC[C@H](O)CO CS-0000034 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.1 [C@H](O)(CCl)CC#N CS-W016583 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.1 C=CC[C@H](C)O CS-0081915 [1,0,0,0,0,0|0,0,2]=3 34 B5R0.1 CC(=O)CCCl CS-W022162 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.1 CC(=O)CCN CS-0209803 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.1 CC(C)CNN CS-0067938 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 CC(C)CON CS-0136014 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 CC(N)CCO CS-W004841 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 CC(O)CC#N CS-0261013 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.1 CC(O)CCBr CS-0142519 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.1 CC(O)CCO CS-0115644 [1,0,0,0,0,0|1,0,0]=2 42 B5R0.1 CCCB(O)O CS-W007470 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 CCCC(=N)N CS-W013544 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.1 CCCC(=O)O CS-0977378 [1,0,0,0,0,0|1,0,1]=3 45 B5R0.1 CCCC(N)=O CS-0130522 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.1 CCC[C@@H](C)N CS-0162182 [1,0,0,0,0,0|1,0,0]=2 47 B5R0.1 CCC[C@H](C)N CS-W006528 [1,0,0,0,0,0|1,0,0]=2 48 B5R0.1 CCOC(C)=N CS-W008601 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 CN(C)CCBr CS-W004693 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.1 CNCC(=O)O CS-W013507 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 CNCC(=O)O CS-W018511 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 CNCC(C)O CS-0216704 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.1 COCC(=O)O CS-W020123 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 COC[C@@H](C)N CS-W019198 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 COC[C@H](C)N CS-0148795 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 COC[C@H](C)O CS-0031378 [1,0,0,0,0,0|1,0,0]=2 57 B5R0.1 CSCC(=O)O CS-0015159 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 CSCS(C)=O CS-0146450 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 C[C@@H](N)CC#N CS-0127883 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.1 C[C@@H](N)CCO CS-W013746 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.1 C[C@@H](O)CCO CS-M1638 [1,0,0,0,0,0|1,0,0]=2 62 B5R0.1 C[C@H](N)CC#N CS-0127884 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.1 C[C@H](N)CCO CS-W019851 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.1 C[C@H](O)CCO CS-W016671 [1,0,0,0,0,0|1,0,0]=2 65 B5R0.1 N=C(O)CCN CS-W007497 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 NCCC(=O)O CS-0668359 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 NCCC(=O)O CS-W020126 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.1 NCCS(=O)O CS-6985 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.1 O=C(O)CCF CS-0038385 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.1 O=C(O)CCI CS-0204563 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.1 O=C(O)CCO CS-0147832 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.1 OCCC(F)F CS-0185412 [1,0,0,0,0,0|3,0,0]=4 73 B5R0.2 BrCCCCBr CS-W020631 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.2 C#CCCCBr CS-0147349 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.2 C#CCCCCl CS-W009550 [1,0,0,0,0,0|1,0,2]=4 76 B5R0.2 C#CCCCI CS-0088561 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.2 C#CCCCN CS-0038434 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.2 C#CCCCO CS-W011358 [1,0,0,0,0,0|1,0,2]=4 79 B5R0.2 C=CCCCI CS-0135974 [1,0,0,0,0,0|1,0,2]=4 80 B5R0.2 C=CCCNC CS-0197692 [1,0,0,0,0,0|1,0,2]=4 81 B5R0.2 CCC#CCBr CS-0188171 [1,0,0,0,0,0|1,0,2]=4 82 B5R0.2 CCC#CCO CS-0143646 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.2 CCCCON CS-0106180 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.2 CCNCCO CS-0076051 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.2 CCSCCN CS-0663845 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.2 CNCCC#N CS-W011357 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.2 CNCCCCl CS-0150991 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.2 CNCCCO CS-W007469 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.2 COCCC#N CS-0030563 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.2 COCCCBr CS-W010945 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.2 COCCNN CS-0249520 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.2 CSCCCO CS-0015993 [1,0,0,0,0,0|2,0,0]=3 93 B5R0.2 C\C=C\CCO CS-0162245 [1,0,0,0,0,0|1,0,2]=4 94 B5R0.2 ClCCCCBr CS-W017647 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.2 ClCCCCI CS-W019348 [1,0,0,0,0,0|2,0,0]=3 96 B5R0.2 FCCCCBr CS-W018025 [1,0,0,0,0,0|2,0,0]=3 97 B5R0.2 ICCCCI CS-W004871 [1,0,0,0,0,0|2,0,0]=3 98 B5R0.2 N#CCCCBr CS-W004123 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.2 N#CCCCCl CS-D1161 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.2 NCCCCBr CS-W005399 [1,0,0,0,0,0|2,0,0]=3 101 B5R0.2 NCCCCCl CS-0158355 [1,0,0,0,0,0|2,0,0]=3 102 B5R0.2 NCCCCO CS-W002041 [1,0,0,0,0,0|2,0,0]=3 103 B5R0.2 OCCCCBr CS-W000344 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.2 OCCCCCl CS-0022417 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.2 OCCCCF CS-0116811 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.2 OCCNCO CS-0203827 [1,0,0,0,0,0|3,0,0]=4 107 B5R0.3 C=CC(O)CO CS-W016675 [1,0,0,0,0,0|1,0,2]=4 108 B5R0.3 CC(CBr)CBr CS-0154074 [1,0,0,0,0,0|3,0,0]=4 109 B5R0.3 CC(CCl)CBr CS-0204235 [1,0,0,0,0,0|3,0,0]=4 110 B5R0.3 CC(CN)CO CS-0447291 [1,0,0,0,0,0|3,0,0]=4 111 B5R0.3 CC(CO)CBr CS-0139638 [1,0,0,0,0,0|3,0,0]=4 112 B5R0.3 CC(CO)CO CS-0021060 [1,0,0,0,0,0|3,0,0]=4 113 B5R0.3 CCC(=O)CBr CS-0131119 [1,0,0,0,0,0|1,0,2]=4 114 B5R0.3 CCC(=O)CN CS-W005374 [1,0,0,0,0,0|1,0,2]=4 115 B5R0.3 CCC(=O)CO CS-W005327 [1,0,0,0,0,0|1,0,2]=4 116 B5R0.3 CCC(=O)NC CS-0179730 [1,0,0,0,0,0|1,0,2]=4 117 B5R0.3 CCC(Br)CC CS-0015742 [1,0,0,0,0,0|1,0,0]=2 118 B5R0.3 CCC(C)C#N CS-0648856 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.3 CCC(C)C#N CS-0649016 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.3 CCC(C)C#N CS-0649019 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.3 CCC(N)C#N CS-0197521 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.3 CCC(N)CC CS-0128806 [1,0,0,0,0,0|1,0,0]=2 123 B5R0.3 CCC(O)CC CS-0128838 [1,0,0,0,0,0|0,0,0]=1 124 B5R0.3 CCC(O)CN CS-0109319 [1,0,0,0,0,0|1,0,0]=2 125 B5R0.3 CCS(=O)CC CS-0199213 [1,0,0,0,0,0|1,0,1]=3 126 B5R0.3 CC[C@@H](C)CBr CS-0539690 [1,0,0,0,0,0|2,0,0]=3 127 B5R0.3 CC[C@@H](N)CO CS-W020734 [1,0,0,0,0,0|2,0,0]=3 128 B5R0.3 CC[C@H](C)CO CS-0139702 [1,0,0,0,0,0|2,0,0]=3 129 B5R0.3 CC[C@H](N)CO CS-W013745 [1,0,0,0,0,0|2,0,0]=3 130 B5R0.3 CC[C@H](O)CO CS-0031373 [1,0,0,0,0,0|1,0,0]=2 131 B5R0.3 CNC(C)CO CS-0197105 [1,0,0,0,0,0|3,0,0]=4 132 B5R0.3 CN[C@@H](C)CO CS-0139480 [1,0,0,0,0,0|3,0,0]=4 133 B5R0.3 CN[C@@H](C)CO CS-0162089 [1,0,0,0,0,0|3,0,0]=4 134 B5R0.3 CN[C@H](C)CO CS-0162211 [1,0,0,0,0,0|3,0,0]=4 135 B5R0.3 CO[C@@H](C)CN CS-W021167 [1,0,0,0,0,0|3,0,0]=4 136 B5R0.3 CO[C@@H](C)CO CS-0096324 [1,0,0,0,0,0|3,0,0]=4 137 B5R0.3 CO[C@H](C)CN CS-0148788 [1,0,0,0,0,0|3,0,0]=4 138 B5R0.3 CO[C@H](C)CN CS-0613352 [1,0,0,0,0,0|3,0,0]=4 139 B5R0.3 CO[C@H](C)CO CS-W011349 [1,0,0,0,0,0|3,0,0]=4 140 B5R0.3 C[C@@H](CO)CBr CS-0101486 [1,0,0,0,0,0|3,0,0]=4 141 B5R0.3 NC(CO)CO CS-W007357 [1,0,0,0,0,0|3,0,0]=4 142 B5R0.3 NC(CO)CO CS-W011141 [1,0,0,0,0,0|3,0,0]=4 143 B5R0.3 NCC(O)CCl CS-W006320 [1,0,0,0,0,0|2,0,0]=3 144 B5R0.3 NCC(O)CN CS-W007600 [1,0,0,0,0,0|2,0,0]=3 145 B5R0.3 NCC(O)CO CS-W002040 [1,0,0,0,0,0|2,0,0]=3 146 B5R0.3 NC[C@@H](F)CO CS-0053486 [1,0,0,0,0,0|3,0,0]=4 147 B5R0.3 NC[C@@H](O)CCl CS-0162224 [1,0,0,0,0,0|2,0,0]=3 148 B5R0.3 NC[C@@H](O)CO CS-W002683 [1,0,0,0,0,0|2,0,0]=3 149 B5R0.3 NC[C@H](F)CO CS-0053431 [1,0,0,0,0,0|3,0,0]=4 150 B5R0.3 NC[C@H](O)CCl CS-W021152 [1,0,0,0,0,0|2,0,0]=3 151 B5R0.3 O=CC(O)CO CS-0102543 [1,0,0,0,0,0|2,0,1]=4 152 B5R0.3 OC(CBr)CBr CS-W014808 [1,0,0,0,0,0|2,0,0]=3 153 B5R0.3 OCC(Cl)CO CS-0640889 [1,0,0,0,0,0|3,0,0]=4 154 B5R0.3 OCC(O)CBr CS-W018026 [1,0,0,0,0,0|2,0,0]=3 155 B5R0.3 OCC(O)CO CS-6964 [1,0,0,0,0,0|2,0,0]=3 156 B5R0.3 OCC(O)CS CS-W011288 [1,0,0,0,0,0|2,0,0]=3 157 B5R0.3 OCC(S)CS CS-0013059 [1,0,0,0,0,0|2,1,0]=4 158 B5R0.3 OC[C@@H](O)CCl CS-W018500 [1,0,0,0,0,0|2,0,0]=3 159 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [1,0,0,0,0,0|1,0,0]=2 160 B5R0.3 [C@H](O)(CN)CO CS-W017771 [1,0,0,0,0,0|2,0,0]=3 161 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [1,0,0,0,0,0|2,0,0]=3 162 B7R0.2 CC(C)CC(N)C#N CS-0226488 [0,1,0,0,0,0|2,0,1]=4 163 B7R0.2 CC(C)CC(N)CO CS-W021562 [0,1,0,0,0,0|2,0,0]=3 164 B7R0.2 CC(C)CC(O)C#N CS-0359248 [0,1,0,0,0,0|1,0,1]=3 165 B7R0.2 CC(C)C[C@H](N)CO CS-W016592 [0,1,0,0,0,0|2,0,0]=3 166 B7R0.2 CC(CCl)CN(C)C CS-W017630 [0,1,0,0,0,0|3,0,0]=4 167 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,1,0,0,0,0|0,0,3]=4 168 B7R0.2 CCC(C)CC(=O)O CS-W011229 [0,1,0,0,0,0|2,0,1]=4 169 B7R0.2 CCC(C)CC(C)N CS-W016309 [0,1,0,0,0,0|1,0,0]=2 170 B7R0.2 CCC(N)CC(=O)O CS-W021843 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.2 CC[C@H](C)CC(=O)O CS-W002937 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.2 CN(C)CC(O)CO CS-W016584 [0,1,0,0,0,0|2,0,0]=3 173 B7R0.2 COC(=O)CC(C)N CS-0147336 [0,1,0,0,0,0|1,0,2]=4 174 B7R0.2 COC(=O)C[C@@H](C)N CS-0003933 [0,1,0,0,0,0|1,0,2]=4 175 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [0,1,0,0,0,0|1,0,2]=4 176 B7R0.2 COC(=O)C[C@H](C)N CS-0147334 [0,1,0,0,0,0|1,0,2]=4 177 B7R0.2 [C@@H](C)(O)CC(=O)OC CS-W013601 [0,1,0,0,0,0|1,0,2]=4 178 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [0,1,0,0,0,0|1,0,2]=4 179 B7R0.2 [C@H](N)(CO)CC(C)C CS-W013604 [0,1,0,0,0,0|2,0,0]=3 180 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [0,1,0,0,0,0|2,0,1]=4 181 B7R0.3 C#CC(O)CCCC CS-W011267 [0,1,0,0,0,0|0,0,2]=3 182 B7R0.3 CCCCC(O)CO CS-W013596 [0,1,0,0,0,0|1,0,0]=2 183 B7R0.3 CCCC[C@@H](N)CO CS-0089933 [0,1,0,0,0,0|2,0,0]=3 184 B7R0.3 CCCC[C@@H](N)CO CS-0162184 [0,1,0,0,0,0|2,0,0]=3 185 B7R0.3 CCCC\C(O)=N\N CS-W013606 [0,1,0,0,0,0|2,0,1]=4 186 B7R0.3 CCCNC(=O)CCl CS-0074801 [0,1,0,0,0,0|1,0,2]=4 187 B7R0.3 CCCOC(=O)OC CS-0111112 [0,1,0,0,0,0|1,0,2]=4 188 B7R0.3 CCOCC(O)CO CS-0151429 [0,1,0,0,0,0|1,0,0]=2 189 B7R0.3 CNCCC(=O)OC CS-0150994 [0,1,0,0,0,0|1,0,2]=4 190 B7R0.3 COC(=O)CCCBr CS-W004701 [0,1,0,0,0,0|1,0,2]=4 191 B7R0.3 COC(=O)CCCCl CS-0001466 [0,1,0,0,0,0|1,0,2]=4 192 B7R0.3 COC(=O)CCCI CS-0001467 [0,1,0,0,0,0|1,0,2]=4 193 B7R0.3 COC(=O)CCCN CS-W019991 [0,1,0,0,0,0|1,0,2]=4 194 B7R0.3 COC(=O)CCSC CS-0128902 [0,1,0,0,0,0|1,0,2]=4 195 B7R0.3 COCCC(=O)OC CS-0072438 [0,1,0,0,0,0|1,0,2]=4 196 B7R0.3 CSCC[C@H](N)CO CS-0020145 [0,1,0,0,0,0|2,0,0]=3 197 B7R0.3 C[C@@H](CN)CCCO CS-0368510 [0,1,0,0,0,0|2,0,0]=3 198 B7R0.5 CCCC(=O)C(C)=O CS-0258819 [0,1,0,0,0,0|0,0,3]=4 199 B7R0.5 CCCC(C)C(=O)O CS-W011232 [0,1,0,0,0,0|2,0,1]=4 200 B7R0.5 CCCC(N)C(=O)O CS-W011226 [0,1,0,0,0,0|2,0,1]=4 201 B7R0.5 CCC[C@@H](N)C(=O)O CS-0015963 [0,1,0,0,0,0|2,0,1]=4 202 B7R0.5 CCC[C@H](N)C(=O)O CS-D1371 [0,1,0,0,0,0|2,0,1]=4 203 B7R0.5 CCC[C@H](O)C(=O)O CS-W007126 [0,1,0,0,0,0|1,0,1]=3 204 B7R0.5 CCOC(=O)C(C)N CS-0151889 [0,1,0,0,0,0|1,0,2]=4 205 B7R0.5 CCOC(=O)[C@H](C)F CS-0670914 [0,1,0,0,0,0|1,0,2]=4 206 B7R0.5 CCOC(=O)[C@H](C)N CS-0009409 [0,1,0,0,0,0|1,0,2]=4 207 B7R0.5 CNC[C@H](O)C(=O)O CS-1135890 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.5 NCC[C@H](O)C(=O)O CS-W002667 [0,1,0,0,0,0|2,0,1]=4 209 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [0,1,0,0,0,0|1,0,2]=4 210 B7R0.7 C=CCC(O)CC=C CS-0064549 [0,1,0,0,0,0|0,0,3]=4 211 B7R0.7 CC(CCBr)CCBr CS-0182622 [0,1,0,0,0,0|2,0,0]=3 212 B7R0.7 CC(CCO)CCO CS-0188324 [0,1,0,0,0,0|2,0,0]=3 213 B7R0.7 CCCC(Br)CCC CS-0106173 [0,1,0,0,0,0|1,0,0]=2 214 B7R0.7 CCCC(O)CCC CS-0132313 [0,1,0,0,0,0|0,0,0]=1 215 B7R0.7 CCC[C@H](N)CCO CS-0152589 [0,1,0,0,0,0|1,0,0]=2 216 B7R0.7 CCNC(=O)CCCl CS-0151980 [0,1,0,0,0,0|1,0,2]=4 217 B7R0.7 CCNC(=S)NCC CS-0076442 [0,1,0,0,0,0|1,1,1]=4 218 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,1,0,0,0,0|1,0,2]=4 219 B7R0.7 CCOC(=O)CCI CS-W002223 [0,1,0,0,0,0|1,0,2]=4 220 B7R0.7 CCOC(=O)CCN CS-W019943 [0,1,0,0,0,0|1,0,2]=4 221 B7R0.7 CCOC(=O)CCO CS-0139545 [0,1,0,0,0,0|1,0,2]=4 222 B7R0.7 CCOC(=O)CNC CS-W020595 [0,1,0,0,0,0|1,0,2]=4 223 B7R0.7 CCOC(=O)COC CS-0008463 [0,1,0,0,0,0|1,0,2]=4 224 B7R0.7 CCOC(=O)CSC CS-0133049 [0,1,0,0,0,0|1,0,2]=4 225 B7R0.7 CC\N=C(/O)NCC CS-W013607 [0,1,0,0,0,0|1,0,1]=3 226 B7R0.7 CN(CCN)CCN CS-0151248 [0,1,0,0,0,0|3,0,0]=4 227 B7R0.7 COCC(=O)COC CS-W007070 [0,1,0,0,0,0|1,0,2]=4 228 B7R0.7 COCC(N)COC CS-W005488 [0,1,0,0,0,0|2,0,0]=3 229 B7R0.7 COCC(O)COC CS-W018661 [0,1,0,0,0,0|1,0,0]=2 230 B7R0.7 O=C(CCCl)CCCl CS-W004439 [0,1,0,0,0,0|1,0,2]=4 231 B7R0.7 OCCC(O)CCO CS-0469963 [0,1,0,0,0,0|1,0,0]=2 232 B7R0.10 CCC(=O)C(=O)CC CS-W013639 [0,1,0,0,0,0|0,0,3]=4 233 B7R0.10 CCC(N)C(=O)OC CS-W018067 [0,1,0,0,0,0|1,0,2]=4 234 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [0,1,0,0,0,0|1,0,2]=4 235 B7R0.10 CC[C@@H](O)C(=O)OC CS-0099841 [0,1,0,0,0,0|1,0,1]=3 236 B7R0.10 CC[C@H](N)C(=O)OC CS-0031391 [0,1,0,0,0,0|1,0,2]=4 237 B7R0.10 CC[C@H](O)C(=O)OC CS-0138542 [0,1,0,0,0,0|1,0,1]=3 238 B7R0.10 COC(=O)C(O)CN CS-0042395 [0,1,0,0,0,0|2,0,1]=4 239 B7R0.10 COC(=O)C(O)CO CS-0454216 [0,1,0,0,0,0|2,0,1]=4 240 B7R0.10 COC(=O)[C@@H](O)CN CS-0131698 [0,1,0,0,0,0|2,0,1]=4 241 B7R0.10 COC(=O)[C@@H](O)CO CS-W000794 [0,1,0,0,0,0|2,0,1]=4 242 B7R0.10 COC(=O)[C@H](O)CO CS-W023221 [0,1,0,0,0,0|2,0,1]=4 243 B7R0.10 O=C[C@H](O)[C@H](O)CO CS-0066906 [0,1,0,0,0,0|2,0,1]=4 244 B7R0.10 OC(CCl)C(O)CCl CS-0179539 [0,1,0,0,0,0|2,0,0]=3 245 B7R0.10 OC[C@H](O)[C@H](O)CO CS-0019695 [0,1,0,0,0,0|2,0,0]=3 246 B7R0.10 OC[C@H](O)[C@H](O)CO CS-0890220 [0,1,0,0,0,0|2,0,0]=3 247 B7R0.10 O[C@H](CS)[C@@H](O)CS CS-3034 [0,1,0,0,0,0|2,0,0]=3 248 B7R0.10 O[C@H](CS)[C@H](O)CS CS-3035 [0,1,0,0,0,0|2,0,0]=3 249 B7R0.10 [C@H](C)(CC)[C@H](N)CO CS-W016591 [0,1,0,0,0,0|2,0,0]=3 250 B7R0.11 CCOS(=O)(=O)CC CS-0044478 [0,1,0,0,0,0|2,0,1]=4 251 B7R0.11 COC(C)(C)CCN CS-0540694 [0,1,0,0,0,0|3,0,0]=4 252 B7R0.11 COC(C)(C)CCO CS-0132453 [0,1,0,0,0,0|3,0,0]=4 253 B7R0.12 CCCC(CO)CO CS-W011220 [0,1,0,0,0,0|1,0,0]=2 254 B7R0.12 CCN(CC)CCBr CS-0076417 [0,1,0,0,0,0|3,0,0]=4 255 B7R0.12 CCN(CC)CCO CS-W010936 [0,1,0,0,0,0|3,0,0]=4 256 B7R0.12 COC(CCBr)OC CS-W023200 [0,1,0,0,0,0|2,0,0]=3 257 B7R0.12 COCC(OC)OC CS-0150200 [0,1,0,0,0,0|2,0,0]=3 258 B7R1.1 BrCC1CCCC1 CS-W004985 [0,0,0,1,0,0|2,0,0]=3 259 B7R1.1 BrCC1CCOC1 CS-W004268 [0,0,0,1,0,0|3,0,0]=4 260 B7R1.1 BrCC1OCCO1 CS-W021428 [0,0,0,1,0,0|2,0,0]=3 261 B7R1.1 CCC1CCCN1 CS-0454761 [0,0,0,1,0,0|1,0,0]=2 262 B7R1.1 CC[C@H]1CCCN1 CS-0197308 [0,0,0,1,0,0|1,0,0]=2 263 B7R1.1 CN[C@H]1CCOC1 CS-0053255 [0,0,0,1,0,0|3,0,0]=4 264 B7R1.1 COC1=NCCC1 CS-W022401 [0,0,0,1,0,0|2,0,1]=4 265 B7R1.1 COC1CCNC1 CS-0039937 [0,0,0,1,0,0|3,0,0]=4 266 B7R1.1 COC1CCNC1 CS-W004880 [0,0,0,1,0,0|3,0,0]=4 267 B7R1.1 CO[C@@H]1CCNC1 CS-0053757 [0,0,0,1,0,0|3,0,0]=4 268 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,0,0,1,0,0|3,0,0]=4 269 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,0,0,1,0,0|3,0,0]=4 270 B7R1.1 ClCC1OCCO1 CS-0137170 [0,0,0,1,0,0|2,0,0]=3 271 B7R1.1 FC[C@@H]1CCCN1 CS-0053450 [0,0,0,1,0,0|2,0,0]=3 272 B7R1.1 ICC1CCCC1 CS-0309298 [0,0,0,1,0,0|2,0,0]=3 273 B7R1.1 ICC1CCOC1 CS-W004269 [0,0,0,1,0,0|3,0,0]=4 274 B7R1.1 N#CC1CCCC1 CS-0072286 [0,0,0,1,0,0|2,0,1]=4 275 B7R1.1 N#C[C@@H]1CCCN1 CS-W002962 [0,0,0,1,0,0|2,0,1]=4 276 B7R1.1 N#C[C@H]1CCCN1 CS-0102312 [0,0,0,1,0,0|2,0,1]=4 277 B7R1.1 NCC1CCCC1 CS-D0472 [0,0,0,1,0,0|2,0,0]=3 278 B7R1.1 NCC1CCCN1 CS-0019253 [0,0,0,1,0,0|2,0,0]=3 279 B7R1.1 NCC1CCOC1 CS-W004787 [0,0,0,1,0,0|3,0,0]=4 280 B7R1.1 NC[C@@H]1CCCO1 CS-0438150 [0,0,0,1,0,0|1,0,0]=2 281 B7R1.1 NC[C@@H]1CCCO1 CS-W011316 [0,0,0,1,0,0|1,0,0]=2 282 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [0,0,0,1,0,0|3,0,0]=4 283 B7R1.1 NC[C@@H]1CCOC1 CS-0053252 [0,0,0,1,0,0|3,0,0]=4 284 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [0,0,0,1,0,0|3,0,0]=4 285 B7R1.1 NNC1CCCC1 CS-D0525 [0,0,0,1,0,0|3,0,0]=4 286 B7R1.1 OCC1CCCC1 CS-W001923 [0,0,0,1,0,0|2,0,0]=3 287 B7R1.1 OCC1CCCN1 CS-W007622 [0,0,0,1,0,0|2,0,0]=3 288 B7R1.1 OCC1CCNC1 CS-W019882 [0,0,0,1,0,0|3,0,0]=4 289 B7R1.1 OCC1CCOC1 CS-D1159 [0,0,0,1,0,0|3,0,0]=4 290 B7R1.1 OCC1OCCO1 CS-W019186 [0,0,0,1,0,0|2,0,0]=3 291 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [0,0,0,1,0,0|2,0,0]=3 292 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,0,0,1,0,0|1,0,0]=2 293 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,0,0,1,0,0|3,0,0]=4 294 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [0,0,0,1,0,0|2,0,0]=3 295 B7R1.1 OC[C@H]1CCNC1 CS-W008960 [0,0,0,1,0,0|3,0,0]=4 296 B7R1.1 [C@@H]1(CN)CCCN1 CS-0043760 [0,0,0,1,0,0|2,0,0]=3 297 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [0,0,0,1,0,0|1,0,0]=2 298 B7R1.1 [C@H]1(CO)CCCO1 CS-W013695 [0,0,0,1,0,0|1,0,0]=2 299 B7R1.2 CC1CCC(=O)O1 CS-W016654 [0,0,0,1,0,0|1,0,2]=4 300 B7R1.2 CC1CNC(=O)C1 CS-0040667 [0,0,0,1,0,0|1,0,2]=4 301 B7R1.2 CN1CCC(=O)C1 CS-0172438 [0,0,0,1,0,0|1,0,2]=4 302 B7R1.2 CN1CCC(N)C1 CS-0151106 [0,0,0,1,0,0|2,0,0]=3 303 B7R1.2 CN1CCC(O)C1 CS-M2838 [0,0,0,1,0,0|1,0,0]=2 304 B7R1.2 CN1CC[C@@H](N)C1 CS-0053339 [0,0,0,1,0,0|2,0,0]=3 305 B7R1.2 CN1CC[C@@H](N)C1 CS-0183704 [0,0,0,1,0,0|2,0,0]=3 306 B7R1.2 CN1CC[C@H](N)C1 CS-0053279 [0,0,0,1,0,0|2,0,0]=3 307 B7R1.2 CN1CC[C@H](O)C1 CS-W003109 [0,0,0,1,0,0|1,0,0]=2 308 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [0,0,0,1,0,0|1,0,2]=4 309 B7R1.2 C[C@@H]1CC[C@@H](C)N1 CS-0111299 [0,0,0,1,0,0|2,0,0]=3 310 B7R1.2 C[C@@H]1C[C@H](O)CN1 CS-0053223 [0,0,0,1,0,0|1,0,0]=2 311 B7R1.2 C[C@H]1CC(=O)CN1 CS-0567258 [0,0,0,1,0,0|1,0,2]=4 312 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,0,0,1,0,0|1,0,2]=4 313 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [0,0,0,1,0,0|1,0,2]=4 314 B7R1.2 C[C@H]1C[C@@H](O)CN1 CS-0053292 [0,0,0,1,0,0|1,0,0]=2 315 B7R1.2 NC1CCC(N)C1 CS-0310049 [0,0,0,1,0,0|2,0,0]=3 316 B7R1.2 NC1CCC(O)C1 CS-0083804 [0,0,0,1,0,0|1,0,0]=2 317 B7R1.2 NC1CCC(O)C1 CS-W005211 [0,0,0,1,0,0|1,0,0]=2 318 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-0053617 [0,0,0,1,0,0|1,0,0]=2 319 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-W018626 [0,0,0,1,0,0|1,0,0]=2 320 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0044036 [0,0,0,1,0,0|1,0,0]=2 321 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0058643 [0,0,0,1,0,0|1,0,0]=2 322 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-0062467 [0,0,0,1,0,0|1,0,0]=2 323 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-B1526 [0,0,0,1,0,0|1,0,0]=2 324 B7R1.2 N[C@H]1CC[C@H](O)C1 CS-0053559 [0,0,0,1,0,0|1,0,0]=2 325 B7R1.2 N[C@H]1CC[C@H](O)C1 CS-0131617 [0,0,0,1,0,0|1,0,0]=2 326 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,0,0,1,0,0|2,0,1]=4 327 B7R1.2 O=C1CCC(O)C1 CS-0051334 [0,0,0,1,0,0|1,0,1]=3 328 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,0,0,1,0,0|2,0,1]=4 329 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [0,0,0,1,0,0|2,0,1]=4 330 B7R1.2 OC1CCC(O)C1 CS-0049625 [0,0,0,1,0,0|1,0,0]=2 331 B7R1.2 O[C@@H]1C=C[C@H](O)C1 CS-0056064 [0,0,0,1,0,0|1,0,2]=4 332 B7R1.2 O[C@@H]1CC[C@@H](O)C1 CS-0056775 [0,0,0,1,0,0|1,0,0]=2 333 B7R1.2 [C@@H]1(N)CC[C@@H](N)C1 CS-W007211 [0,0,0,1,0,0|2,0,0]=3 334 B7R1.2 [C@@H]1(O)CCN(C)C1 CS-W013705 [0,0,0,1,0,0|1,0,0]=2 335 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [0,0,0,1,0,0|2,0,1]=4 336 B7R1.3 BrC1=CCCCC1 CS-0155410 [0,0,0,1,0,0|1,0,2]=4 337 B7R1.3 BrC1C=CCCC1 CS-0173469 [0,0,0,1,0,0|1,0,2]=4 338 B7R1.3 BrC1CCCCC1 CS-W017925 [0,0,0,1,0,0|1,0,0]=2 339 B7R1.3 BrC1CCCOC1 CS-W019418 [0,0,0,1,0,0|2,0,0]=3 340 B7R1.3 BrC1CCNCC1 CS-W014130 [0,0,0,1,0,0|2,0,0]=3 341 B7R1.3 BrC1CCOCC1 CS-W003396 [0,0,0,1,0,0|2,0,0]=3 342 B7R1.3 C=C1CCNCC1 CS-D0508 [0,0,0,1,0,0|2,0,1]=4 343 B7R1.3 CC1CCOCC1 CS-0233092 [0,0,0,1,0,0|2,0,0]=3 344 B7R1.3 CC1CCOCO1 CS-0181838 [0,0,0,1,0,0|3,0,0]=4 345 B7R1.3 CC1CNCCO1 CS-0152670 [0,0,0,1,0,0|3,0,0]=4 346 B7R1.3 CC1CNCCO1 CS-D1584 [0,0,0,1,0,0|3,0,0]=4 347 B7R1.3 CC1COCCN1 CS-W009058 [0,0,0,1,0,0|3,0,0]=4 348 B7R1.3 CC1SCCCS1 CS-0094743 [0,0,0,1,0,0|3,0,0]=4 349 B7R1.3 CN1CCNCC1 CS-W017563 [0,0,0,1,0,0|3,0,0]=4 350 B7R1.3 C[C@@H]1CCCCN1 CS-W019137 [0,0,0,1,0,0|2,0,0]=3 351 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [0,0,0,1,0,0|2,0,0]=3 352 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,0,0,1,0,0|3,0,0]=4 353 B7R1.3 C[C@@H]1CNCCO1 CS-0019313 [0,0,0,1,0,0|3,0,0]=4 354 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,0,0,1,0,0|3,0,0]=4 355 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [0,0,0,1,0,0|3,0,0]=4 356 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,0,0,1,0,0|3,0,0]=4 357 B7R1.3 C[C@H]1CCCCN1 CS-0145867 [0,0,0,1,0,0|2,0,0]=3 358 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,0,0,1,0,0|3,0,0]=4 359 B7R1.3 C[C@H]1COCCN1 CS-M0392 [0,0,0,1,0,0|3,0,0]=4 360 B7R1.3 C[C@H]1COCCN1 CS-W008644 [0,0,0,1,0,0|3,0,0]=4 361 B7R1.3 ClC1CCCCC1 CS-0198086 [0,0,0,1,0,0|1,0,0]=2 362 B7R1.3 ClC1CCNCC1 CS-W006160 [0,0,0,1,0,0|2,0,0]=3 363 B7R1.3 ClC1CCOCC1 CS-W016579 [0,0,0,1,0,0|2,0,0]=3 364 B7R1.3 FC1CCCNC1 CS-W001632 [0,0,0,1,0,0|2,0,0]=3 365 B7R1.3 FC1CCNCC1 CS-0040905 [0,0,0,1,0,0|2,0,0]=3 366 B7R1.3 FC1CCNCC1 CS-0101735 [0,0,0,1,0,0|2,0,0]=3 367 B7R1.3 F[C@@H]1CCCNC1 CS-0053327 [0,0,0,1,0,0|2,0,0]=3 368 B7R1.3 IC1CCCCC1 CS-0148628 [0,0,0,1,0,0|1,0,0]=2 369 B7R1.3 IC1CCNCC1 CS-0145320 [0,0,0,1,0,0|2,0,0]=3 370 B7R1.3 IC1CCOCC1 CS-W004278 [0,0,0,1,0,0|2,0,0]=3 371 B7R1.3 NC1CC=CCC1 CS-0076943 [0,0,0,1,0,0|1,0,2]=4 372 B7R1.3 NC1CCCCC1 CS-W013335 [0,0,0,1,0,0|1,0,0]=2 373 B7R1.3 NC1CCCNC1 CS-W002078 [0,0,0,1,0,0|2,0,0]=3 374 B7R1.3 NC1CCCOC1 CS-0044162 [0,0,0,1,0,0|2,0,0]=3 375 B7R1.3 NC1CCCOC1 CS-0069616 [0,0,0,1,0,0|2,0,0]=3 376 B7R1.3 NC1CCOCC1 CS-B0654 [0,0,0,1,0,0|2,0,0]=3 377 B7R1.3 NC1CCOCC1 CS-W002372 [0,0,0,1,0,0|2,0,0]=3 378 B7R1.3 NC1CCSCC1 CS-0043960 [0,0,0,1,0,0|2,0,0]=3 379 B7R1.3 NC1CCSCC1 CS-W000397 [0,0,0,1,0,0|2,0,0]=3 380 B7R1.3 NN1CCCCC1 CS-W007639 [0,0,0,1,0,0|2,0,0]=3 381 B7R1.3 NN1CCOCC1 CS-W001074 [0,0,0,1,0,0|3,0,0]=4 382 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,0,0,1,0,0|2,0,0]=3 383 B7R1.3 N[C@@H]1CCCNC1 CS-W009139 [0,0,0,1,0,0|2,0,0]=3 384 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,0,0,1,0,0|2,0,0]=3 385 B7R1.3 O=C1CCCCN1 CS-W022933 [0,0,0,1,0,0|1,0,2]=4 386 B7R1.3 O=C1CCCCO1 CS-W013713 [0,0,0,1,0,0|1,0,2]=4 387 B7R1.3 O=C1CCCNC1 CS-0048756 [0,0,0,1,0,0|1,0,2]=4 388 B7R1.3 O=C1CCCNC1 CS-0185548 [0,0,0,1,0,0|1,0,2]=4 389 B7R1.3 O=C1CCCOC1 CS-D1576 [0,0,0,1,0,0|1,0,2]=4 390 B7R1.3 O=C1CCCSC1 CS-D0446 [0,0,0,1,0,0|1,0,2]=4 391 B7R1.3 O=C1CCOCC1 CS-D0601 [0,0,0,1,0,0|1,0,2]=4 392 B7R1.3 O=C1CCSCC1 CS-W002007 [0,0,0,1,0,0|1,0,2]=4 393 B7R1.3 O=S1CCNCC1 CS-0043941 [0,0,0,1,0,0|2,0,1]=4 394 B7R1.3 OC1C=CCCC1 CS-W011333 [0,0,0,1,0,0|0,0,2]=3 395 B7R1.3 OC1CC=CCC1 CS-0161778 [0,0,0,1,0,0|0,0,2]=3 396 B7R1.3 OC1CCCCC1 CS-0017198 [0,0,0,1,0,0|0,0,0]=1 397 B7R1.3 OC1CCCCO1 CS-0015921 [0,0,0,1,0,0|1,0,0]=2 398 B7R1.3 OC1CCCNC1 CS-D1393 [0,0,0,1,0,0|1,0,0]=2 399 B7R1.3 OC1CCCNC1 CS-W013706 [0,0,0,1,0,0|1,0,0]=2 400 B7R1.3 OC1CCCOC1 CS-D1560 [0,0,0,1,0,0|1,0,0]=2 401 B7R1.3 OC1CCNCC1 CS-W002165 [0,0,0,1,0,0|1,0,0]=2 402 B7R1.3 OC1CCNCC1 CS-W004328 [0,0,0,1,0,0|1,0,0]=2 403 B7R1.3 OC1CCOCC1 CS-W004264 [0,0,0,1,0,0|1,0,0]=2 404 B7R1.3 OC1CCSCC1 CS-D1275 [0,0,0,1,0,0|1,0,0]=2 405 B7R1.3 OC1CNCCO1 CS-W006148 [0,0,0,1,0,0|2,0,0]=3 406 B7R1.3 OC1COCOC1 CS-W016639 [0,0,0,1,0,0|2,0,0]=3 407 B7R1.3 ON1CCCCC1 CS-W016646 [0,0,0,1,0,0|1,0,0]=2 408 B7R1.3 O[C@@H]1CCCNC1 CS-0053770 [0,0,0,1,0,0|1,0,0]=2 409 B7R1.3 O[C@H]1CCCNC1 CS-0029964 [0,0,0,1,0,0|1,0,0]=2 410 B7R1.3 O[C@H]1CCCNC1 CS-W003070 [0,0,0,1,0,0|1,0,0]=2 411 B7R1.3 S=C1CCCCC1 CS-0661522 [0,0,0,1,0,0|0,1,1]=3 412 B7R1.3 [C@@H]1(N)CCCOC1 CS-W006989 [0,0,0,1,0,0|2,0,0]=3 413 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,0,0,1,0,0|1,0,0]=2 414 B7R1.3 [C@H]1(C)CCCCN1 CS-0044046 [0,0,0,1,0,0|2,0,0]=3 415 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,0,0,1,0,0|2,0,0]=3 416 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,0,0,1,0,0|3,0,0]=4 417 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,0,0,1,0,0|3,0,0]=4 418 B7R1.4 CC1CCNC1=O CS-W004958 [0,0,0,1,0,0|1,0,2]=4 419 B7R1.4 CC1CCOC1=O CS-0152675 [0,0,0,1,0,0|1,0,2]=4 420 B7R1.4 CC1OCCC1=O CS-W011324 [0,0,0,1,0,0|1,0,2]=4 421 B7R1.4 CC1OCCC1S CS-W013594 [0,0,0,1,0,0|1,1,0]=3 422 B7R1.4 CC1SCCC1=O CS-W011228 [0,0,0,1,0,0|1,0,2]=4 423 B7R1.4 CN1CCCC1=O CS-0017258 [0,0,0,1,0,0|1,0,2]=4 424 B7R1.4 CN1CCCC1=S CS-W013619 [0,0,0,1,0,0|1,1,1]=4 425 B7R1.4 C[C@H]1CNC[C@@H]1O CS-0035605 [0,0,0,1,0,0|1,0,0]=2 426 B7R1.4 F[C@H]1CNC[C@H]1F CS-0012663 [0,0,0,1,0,0|3,0,0]=4 427 B7R1.4 N[C@@H]1CCC[C@@H]1O CS-W003557 [0,0,0,1,0,0|1,0,0]=2 428 B7R1.4 N[C@@H]1CCC[C@H]1O CS-0130454 [0,0,0,1,0,0|1,0,0]=2 429 B7R1.4 N[C@@H]1CCC[C@H]1O CS-W008557 [0,0,0,1,0,0|1,0,0]=2 430 B7R1.4 N[C@@H]1CNC[C@H]1F CS-0094714 [0,0,0,1,0,0|3,0,0]=4 431 B7R1.4 N[C@@H]1COC[C@@H]1N CS-0049652 [0,0,0,1,0,0|3,0,0]=4 432 B7R1.4 N[C@H]1CCC[C@@H]1O CS-W004139 [0,0,0,1,0,0|1,0,0]=2 433 B7R1.4 N[C@H]1CCC[C@H]1N CS-0049664 [0,0,0,1,0,0|2,0,0]=3 434 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [0,0,0,1,0,0|1,0,0]=2 435 B7R1.4 N[C@H]1COC[C@@H]1O CS-0046711 [0,0,0,1,0,0|2,0,0]=3 436 B7R1.4 N[C@H]1COC[C@@H]1O CS-0047593 [0,0,0,1,0,0|2,0,0]=3 437 B7R1.4 O=C1NCCC1O CS-W005201 [0,0,0,1,0,0|2,0,1]=4 438 B7R1.4 O=C1NCC[C@@H]1O CS-W003342 [0,0,0,1,0,0|2,0,1]=4 439 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [0,0,0,1,0,0|2,0,1]=4 440 B7R1.4 O=C1OCCC1O CS-W013699 [0,0,0,1,0,0|2,0,1]=4 441 B7R1.4 O=C1OCC[C@@H]1O CS-0312594 [0,0,0,1,0,0|2,0,1]=4 442 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [0,0,0,1,0,0|1,0,0]=2 443 B7R1.4 O[C@@H]1CNC[C@@H]1F CS-0047354 [0,0,0,1,0,0|2,0,0]=3 444 B7R1.4 O[C@@H]1CNC[C@H]1F CS-0054190 [0,0,0,1,0,0|2,0,0]=3 445 B7R1.4 O[C@@H]1CNC[C@H]1O CS-0053303 [0,0,0,1,0,0|2,0,0]=3 446 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0042168 [0,0,0,1,0,0|2,0,0]=3 447 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0058680 [0,0,0,1,0,0|2,0,0]=3 448 B7R1.4 O[C@H]1CNC[C@H]1O CS-W022618 [0,0,0,1,0,0|2,0,0]=3 449 B7R1.4 O[C@H]1COC[C@H]1O CS-0049648 [0,0,0,1,0,0|2,0,0]=3 450 B7R1.4 [C@H]1(O)CNC[C@@H]1O CS-W005107 [0,0,0,1,0,0|2,0,0]=3 451 B7R1.6 COCC1CNC1 CS-W023140 [0,0,0,1,0,0|3,0,0]=4 452 B7R1.6 NCCN1CCC1 CS-0127626 [0,0,0,1,0,0|3,0,0]=4 453 B7R1.6 NOCC1CCC1 CS-0145228 [0,0,0,1,0,0|3,0,0]=4 454 B7R1.6 OCCC1COC1 CS-0052216 [0,0,0,1,0,0|3,0,0]=4 455 B7R1.6 OCCN1CCC1 CS-D0268 [0,0,0,1,0,0|3,0,0]=4 456 B7R1.8 CN1CC[C@@H]1CO CS-0172773 [0,0,0,1,0,0|3,0,0]=4 457 B7R1.9 OC[C@H]1C[C@H]1CO CS-0053077 [0,0,0,1,0,0|3,0,0]=4 458 B7R1.10 CC1CC(CN)C1 CS-0036376 [0,0,0,1,0,0|2,0,0]=3 459 B7R1.10 CC1CC(CO)C1 CS-0215900 [0,0,0,1,0,0|2,0,0]=3 460 B7R1.10 CCN1CC(N)C1 CS-0184403 [0,0,0,1,0,0|3,0,0]=4 461 B7R1.10 CN1CC(CN)C1 CS-0053644 [0,0,0,1,0,0|3,0,0]=4 462 B7R1.10 CN1CC(CN)C1 CS-0183702 [0,0,0,1,0,0|3,0,0]=4 463 B7R1.10 CN1CC(CO)C1 CS-0053643 [0,0,0,1,0,0|3,0,0]=4 464 B7R1.10 CNC1CC(O)C1 CS-0051674 [0,0,0,1,0,0|3,0,0]=4 465 B7R1.10 CNC1CN(C)C1 CS-0048839 [0,0,0,1,0,0|3,0,0]=4 466 B7R1.10 COC1CC(N)C1 CS-0051290 [0,0,0,1,0,0|3,0,0]=4 467 B7R1.10 COC1CC(O)C1 CS-0056983 [0,0,0,1,0,0|3,0,0]=4 468 B7R1.10 CO[C@H]1C[C@H](N)C1 CS-0045545 [0,0,0,1,0,0|3,0,0]=4 469 B7R1.10 N[C@H]1C[C@@H](CO)C1 CS-0049714 [0,0,0,1,0,0|3,0,0]=4 470 B7R1.10 OCC1CC(Cl)C1 CS-0044084 [0,0,0,1,0,0|3,0,0]=4 471 B7R1.10 OCC1CC(O)C1 CS-0186717 [0,0,0,1,0,0|3,0,0]=4 472 B7R1.22 CCC(N)C1CC1 CS-0052574 [0,0,0,1,0,0|1,0,0]=2 473 B7R1.22 CCC(O)C1CC1 CS-0052573 [0,0,0,1,0,0|0,0,0]=1 474 B7R1.22 N#CC(O)C1CC1 CS-0254618 [0,0,0,1,0,0|1,0,1]=3 475 B7R1.22 NC(CO)C1CC1 CS-0075143 [0,0,0,1,0,0|2,0,0]=3 476 B7R1.22 NCC(O)C1CC1 CS-0128611 [0,0,0,1,0,0|1,0,0]=2 477 B7R1.22 N[C@@H](CO)C1CC1 CS-0111762 [0,0,0,1,0,0|2,0,0]=3 478 B7R1.22 N[C@H](CO)C1CC1 CS-0173226 [0,0,0,1,0,0|2,0,0]=3 479 B7R1.22 O=C(CO)C1CC1 CS-0230656 [0,0,0,1,0,0|1,0,2]=4 480 B7R1.25 C#CC1(O)COC1 CS-0051375 [0,0,0,1,0,0|1,0,2]=4 481 B7R1.25 CC1(CBr)CCC1 CS-0070089 [0,0,0,1,0,0|2,0,0]=3 482 B7R1.25 CC1(CBr)COC1 CS-W002970 [0,0,0,1,0,0|3,0,0]=4 483 B7R1.25 CC1(CI)COC1 CS-0051679 [0,0,0,1,0,0|3,0,0]=4 484 B7R1.25 CC1(CN)CCC1 CS-0045540 [0,0,0,1,0,0|2,0,0]=3 485 B7R1.25 CC1(CN)COC1 CS-W008726 [0,0,0,1,0,0|3,0,0]=4 486 B7R1.25 CC1(CO)CCC1 CS-0072446 [0,0,0,1,0,0|2,0,0]=3 487 B7R1.25 CC1(CO)COC1 CS-W007726 [0,0,0,1,0,0|3,0,0]=4 488 B7R1.25 CNC1(C)COC1 CS-0054899 [0,0,0,1,0,0|3,0,0]=4 489 B7R1.25 COC1(C)CNC1 CS-0035135 [0,0,0,1,0,0|3,0,0]=4 490 B7R1.25 N#CC1(O)CCC1 CS-0039879 [0,0,0,1,0,0|1,0,1]=3 491 B7R1.25 N#CC1(O)COC1 CS-0377041 [0,0,0,1,0,0|2,0,1]=4 492 B7R1.25 NC1(CO)CCC1 CS-0053661 [0,0,0,1,0,0|2,0,0]=3 493 B7R1.25 NC1(CO)COC1 CS-0040896 [0,0,0,1,0,0|3,0,0]=4 494 B7R1.25 NCC1(O)CCC1 CS-W005666 [0,0,0,1,0,0|1,0,0]=2 495 B7R1.25 NCC1(O)COC1 CS-0051726 [0,0,0,1,0,0|2,0,0]=3 496 B4R0.1 C#C[C@H](C)O CS-0127970 [2,0,0,0,0,0|0,0,2]=4 497 B4R0.1 CC(Br)CO CS-0061061 [2,0,0,0,0,0|2,0,0]=4 498 B4R0.1 CC(C)CN CS-0154223 [2,0,0,0,0,0|2,0,0]=4 499 B4R0.1 CC(C)CN CS-0214073 [2,0,0,0,0,0|2,0,0]=4 500 B4R0.1 CC(N)CCl CS-0161780 [2,0,0,0,0,0|2,0,0]=4 501 B4R0.1 CC(N)CF CS-0107816 [2,0,0,0,0,0|2,0,0]=4 502 B4R0.1 CC(N)CO CS-W018531 [2,0,0,0,0,0|2,0,0]=4 503 B4R0.1 CC(O)CBr CS-0063182 [2,0,0,0,0,0|1,0,0]=3 504 B4R0.1 CC(O)CN CS-W016685 [2,0,0,0,0,0|1,0,0]=3 505 B4R0.1 CC(O)CO CS-0015917 [2,0,0,0,0,0|1,0,0]=3 506 B4R0.1 CCB(O)O CS-W000933 [2,0,0,0,0,0|2,0,0]=4 507 B4R0.1 CC[C@@H](C)N CS-0379054 [2,0,0,0,0,0|1,0,0]=3 508 B4R0.1 CC[C@@H](C)O CS-0128797 [2,0,0,0,0,0|0,0,0]=2 509 B4R0.1 CC[C@H](C)N CS-0084847 [2,0,0,0,0,0|1,0,0]=3 510 B4R0.1 C[C@@H](Cl)CO CS-0186126 [2,0,0,0,0,0|2,0,0]=4 511 B4R0.1 C[C@@H](N)CF CS-0104382 [2,0,0,0,0,0|2,0,0]=4 512 B4R0.1 C[C@@H](N)CN CS-W018220 [2,0,0,0,0,0|2,0,0]=4 513 B4R0.1 C[C@@H](N)CO CS-W011362 [2,0,0,0,0,0|2,0,0]=4 514 B4R0.1 C[C@@H](O)CN CS-W002295 [2,0,0,0,0,0|1,0,0]=3 515 B4R0.1 C[C@@H](O)CO CS-W020032 [2,0,0,0,0,0|1,0,0]=3 516 B4R0.1 C[C@H](N)CF CS-0090252 [2,0,0,0,0,0|2,0,0]=4 517 B4R0.1 C[C@H](N)CO CS-B1303 [2,0,0,0,0,0|2,0,0]=4 518 B4R0.1 C[C@H](O)CN CS-W019029 [2,0,0,0,0,0|1,0,0]=3 519 B4R0.1 C[C@H](O)CO CS-0011520 [2,0,0,0,0,0|1,0,0]=3 520 B4R0.1 [C@@H](C)(Cl)CO CS-W016664 [2,0,0,0,0,0|2,0,0]=4 521 B4R0.1 [C@@H](C)(N)CN CS-W008537 [2,0,0,0,0,0|2,0,0]=4 522 B4R0.1 [C@H](C)(O)CCl CS-W005784 [2,0,0,0,0,0|1,0,0]=3 523 B4R0.2 BrCCCI CS-0199040 [2,0,0,0,0,0|2,0,0]=4 524 B4R0.2 C#CCCO CS-W001947 [2,0,0,0,0,0|0,0,2]=4 525 B4R0.2 CC#CCO CS-B1382 [2,0,0,0,0,0|0,0,2]=4 526 B4R0.2 CCCCN CS-0214149 [2,0,0,0,0,0|1,0,0]=3 527 B4R0.2 CCCNN CS-0152064 [2,0,0,0,0,0|2,0,0]=4 528 B4R0.2 CCNCC CS-0160324 [2,0,0,0,0,0|1,0,0]=3 529 B4R0.2 CNCCBr CS-0042068 [2,0,0,0,0,0|2,0,0]=4 530 B4R0.2 CNCCCl CS-W019383 [2,0,0,0,0,0|2,0,0]=4 531 B4R0.2 CNCCO CS-0542090 [2,0,0,0,0,0|1,0,0]=3 532 B4R0.2 CNCCO CS-W008875 [2,0,0,0,0,0|1,0,0]=3 533 B4R0.2 COCCBr CS-0015336 [2,0,0,0,0,0|2,0,0]=4 534 B4R0.2 COCCI CS-0139205 [2,0,0,0,0,0|2,0,0]=4 535 B4R0.2 COCCO CS-0179325 [2,0,0,0,0,0|1,0,0]=3 536 B4R0.2 COCCO CS-0200432 [2,0,0,0,0,0|1,0,0]=3 537 B4R0.2 CSCCN CS-0063136 [2,0,0,0,0,0|2,0,0]=4 538 B4R0.2 CSCCO CS-0150086 [2,0,0,0,0,0|1,0,0]=3 539 B4R0.2 CSCSC CS-W013673 [2,0,0,0,0,0|2,0,0]=4 540 B4R0.2 ClCCCI CS-W018493 [2,0,0,0,0,0|2,0,0]=4 541 B4R0.2 FCCCI CS-0121313 [2,0,0,0,0,0|2,0,0]=4 542 B4R0.2 ICCCI CS-W012156 [2,0,0,0,0,0|2,0,0]=4 543 B4R0.2 N#CCCO CS-W001263 [2,0,0,0,0,0|1,0,1]=4 544 B4R0.2 NCCCBr CS-W008585 [2,0,0,0,0,0|2,0,0]=4 545 B4R0.2 NCCCCl CS-0015792 [2,0,0,0,0,0|2,0,0]=4 546 B4R0.2 NCCCN CS-0214047 [2,0,0,0,0,0|2,0,0]=4 547 B4R0.2 NCCCN CS-0214116 [2,0,0,0,0,0|2,0,0]=4 548 B4R0.2 NCCCO CS-W020089 [2,0,0,0,0,0|1,0,0]=3 549 B4R0.2 NOCCO CS-W011361 [2,0,0,0,0,0|2,0,0]=4 550 B4R0.2 OCCCBr CS-W007337 [2,0,0,0,0,0|1,0,0]=3 551 B4R0.2 OCCCF CS-0170820 [2,0,0,0,0,0|1,0,0]=3 552 B4R0.2 OCCCI CS-W015993 [2,0,0,0,0,0|1,0,0]=3 553 B4R0.2 OCCCO CS-W018490 [2,0,0,0,0,0|1,0,0]=3 554 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [1,1,0,0,0,0|0,0,2]=4 555 B6R0.2 CC(C)CB(O)O CS-W000978 [1,1,0,0,0,0|2,0,0]=4 556 B6R0.2 CC(C)CC(=O)O CS-0881782 [1,1,0,0,0,0|1,0,1]=4 557 B6R0.2 CC(C)CC(=O)O CS-W013696 [1,1,0,0,0,0|1,0,1]=4 558 B6R0.2 CC(C)C[C@H](C)O CS-0237477 [1,1,0,0,0,0|0,0,0]=2 559 B6R0.2 CC(C)NC(C)C CS-0468828 [1,1,0,0,0,0|2,0,0]=4 560 B6R0.2 CC(C)NC(C)C CS-B1708 [1,1,0,0,0,0|2,0,0]=4 561 B6R0.2 CC(Cl)CN(C)C CS-0128777 [1,1,0,0,0,0|2,0,0]=4 562 B6R0.2 CC(N)CC(=O)O CS-W009549 [1,1,0,0,0,0|1,0,1]=4 563 B6R0.2 CC(O)CC(=O)O CS-0062335 [1,1,0,0,0,0|1,0,1]=4 564 B6R0.2 CC(O)CC(C)O CS-0377993 [1,1,0,0,0,0|0,0,0]=2 565 B6R0.2 CC(O)CC(N)=O CS-0435186 [1,1,0,0,0,0|1,0,1]=4 566 B6R0.2 C[C@@H](N)CN(C)C CS-0159973 [1,1,0,0,0,0|2,0,0]=4 567 B6R0.2 C[C@@H](O)CN(C)C CS-0138530 [1,1,0,0,0,0|1,0,0]=3 568 B6R0.2 C[C@@H](O)C[C@@H](C)O CS-0085737 [1,1,0,0,0,0|0,0,0]=2 569 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [1,1,0,0,0,0|1,0,1]=4 570 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [1,1,0,0,0,0|1,0,1]=4 571 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [1,1,0,0,0,0|1,0,1]=4 572 B6R0.2 C[C@H](O)C[C@H](C)O CS-0085738 [1,1,0,0,0,0|0,0,0]=2 573 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [1,1,0,0,0,0|1,0,1]=4 574 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [1,1,0,0,0,0|1,0,1]=4 575 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [1,1,0,0,0,0|1,0,1]=4 576 B6R0.3 C=C[C@@H](C)[C@@H](C)O CS-0368397 [1,1,0,0,0,0|0,0,2]=4 577 B6R0.3 C=C[C@H](C)[C@H](C)O CS-0368404 [1,1,0,0,0,0|0,0,2]=4 578 B6R0.3 CC(C)C(N)CO CS-W004906 [1,1,0,0,0,0|2,0,0]=4 579 B6R0.3 CC(C)C(O)CN CS-0129685 [1,1,0,0,0,0|2,0,0]=4 580 B6R0.3 CC(C)[C@@H](N)CO CS-D0610 [1,1,0,0,0,0|2,0,0]=4 581 B6R0.3 CC(C)[C@H](N)CO CS-W020370 [1,1,0,0,0,0|2,0,0]=4 582 B6R0.3 CCC(C)B(O)O CS-W011315 [1,1,0,0,0,0|2,0,0]=4 583 B6R0.3 CCC(N)C(=O)O CS-W011306 [1,1,0,0,0,0|1,0,1]=4 584 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [1,1,0,0,0,0|1,0,1]=4 585 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [1,1,0,0,0,0|1,0,1]=4 586 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [1,1,0,0,0,0|1,0,1]=4 587 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [1,1,0,0,0,0|1,0,1]=4 588 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [1,1,0,0,0,0|1,0,1]=4 589 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [1,1,0,0,0,0|1,0,1]=4 590 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [1,1,0,0,0,0|1,0,1]=4 591 B6R0.3 CC[C@H](N)[C@@H](C)O CS-0183871 [1,1,0,0,0,0|0,0,0]=2 592 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [1,1,0,0,0,0|1,0,1]=4 593 B6R0.3 CNC(C)C(C)C CS-W000156 [1,1,0,0,0,0|2,0,0]=4 594 B6R0.3 COC(=O)[C@H](C)O CS-WAA0219 [1,1,0,0,0,0|1,0,1]=4 595 B6R0.3 [C@@H](C)(O)[C@@H](N)CO CS-W008521 [1,1,0,0,0,0|1,0,0]=3 596 B6R0.3 [C@H](C)(O)[C@H](N)CO CS-W013681 [1,1,0,0,0,0|1,0,0]=3 597 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [1,1,0,0,0,0|1,0,1]=4 598 B6R0.4 C=CCCC(C)O CS-0513969 [1,1,0,0,0,0|0,0,1]=3 599 B6R0.4 CC(=O)CCCCl CS-W013569 [1,1,0,0,0,0|0,0,2]=4 600 B6R0.4 CC(=O)CCCO CS-0020001 [1,1,0,0,0,0|0,0,2]=4 601 B6R0.4 CC(Br)CCCBr CS-0204659 [1,1,0,0,0,0|1,0,0]=3 602 B6R0.4 CC(C)CCCBr CS-0154233 [1,1,0,0,0,0|1,0,0]=3 603 B6R0.4 CC(C)CCCO CS-W007511 [1,1,0,0,0,0|1,0,0]=3 604 B6R0.4 CC(C)NCCCl CS-W006300 [1,1,0,0,0,0|2,0,0]=4 605 B6R0.4 CC(C)NCCN CS-0199017 [1,1,0,0,0,0|2,0,0]=4 606 B6R0.4 CC(C)NCCO CS-0076304 [1,1,0,0,0,0|2,0,0]=4 607 B6R0.4 CC(C)OCCBr CS-W018660 [1,1,0,0,0,0|2,0,0]=4 608 B6R0.4 CC(O)CCCO CS-0154051 [1,1,0,0,0,0|0,0,0]=2 609 B6R0.4 CCCCB(O)O CS-W000932 [1,1,0,0,0,0|2,0,0]=4 610 B6R0.4 CCCC[C@@H](C)O CS-0179419 [1,1,0,0,0,0|0,0,0]=2 611 B6R0.4 CCCC[C@H](C)O CS-0179420 [1,1,0,0,0,0|0,0,0]=2 612 B6R0.4 CCCNC(C)=O CS-0246738 [1,1,0,0,0,0|0,0,2]=4 613 B6R0.4 CCNCC(=O)O CS-0201673 [1,1,0,0,0,0|1,0,1]=4 614 B6R0.4 CCNCC(C)C CS-0071534 [1,1,0,0,0,0|1,0,0]=3 615 B6R0.4 CCOCC(=O)O CS-0071579 [1,1,0,0,0,0|1,0,1]=4 616 B6R0.4 CCSCC(=O)O CS-0197336 [1,1,0,0,0,0|1,0,1]=4 617 B6R0.4 CN(C)CCCBr CS-W003771 [1,1,0,0,0,0|2,0,0]=4 618 B6R0.4 CN(C)CCCCl CS-W004690 [1,1,0,0,0,0|2,0,0]=4 619 B6R0.4 CN(C)CCCCl CS-W019575 [1,1,0,0,0,0|2,0,0]=4 620 B6R0.4 CN(C)CCCN CS-0214111 [1,1,0,0,0,0|2,0,0]=4 621 B6R0.4 CNCCC(=O)O CS-0112815 [1,1,0,0,0,0|1,0,1]=4 622 B6R0.4 CNCCC(=O)O CS-0169148 [1,1,0,0,0,0|1,0,1]=4 623 B6R0.4 CNCCC(C)C CS-0039334 [1,1,0,0,0,0|1,0,0]=3 624 B6R0.4 CNCCN(C)C CS-W022914 [1,1,0,0,0,0|2,0,0]=4 625 B6R0.4 COCCC(=O)O CS-W009112 [1,1,0,0,0,0|1,0,1]=4 626 B6R0.4 CS(=O)CCCN CS-0286765 [1,1,0,0,0,0|1,0,1]=4 627 B6R0.4 CSCCC(=O)O CS-6296 [1,1,0,0,0,0|1,0,1]=4 628 B6R0.4 CSCCC(C)=O CS-0206726 [1,1,0,0,0,0|0,0,2]=4 629 B6R0.4 C[C@@H](N)CCCO CS-0634445 [1,1,0,0,0,0|1,0,0]=3 630 B6R0.4 C[C@H](N)CCCO CS-0652529 [1,1,0,0,0,0|1,0,0]=3 631 B6R0.4 NCCCC(=O)O CS-W020704 [1,1,0,0,0,0|1,0,1]=4 632 B6R0.4 O=C(O)CCCBr CS-W016047 [1,1,0,0,0,0|1,0,1]=4 633 B6R0.4 O=C(O)CCCCl CS-W013545 [1,1,0,0,0,0|1,0,1]=4 634 B6R0.5 CC(C)(C)CCBr CS-B0401 [1,1,0,0,0,0|2,0,0]=4 635 B6R0.5 CC(C)(C)CCO CS-W013693 [1,1,0,0,0,0|2,0,0]=4 636 B6R0.5 CC(C)(F)CCN CS-0061673 [1,1,0,0,0,0|2,0,0]=4 637 B6R0.5 CC(C)(N)CCO CS-W004889 [1,1,0,0,0,0|2,0,0]=4 638 B6R0.5 CC(C)(O)CC#N CS-0154614 [1,1,0,0,0,0|1,0,1]=4 639 B6R0.5 CC(C)(O)CCBr CS-W018816 [1,1,0,0,0,0|1,0,0]=3 640 B6R0.5 CC(C)(O)CCN CS-0043489 [1,1,0,0,0,0|1,0,0]=3 641 B6R0.5 CCC[N+](C)(C)C CS-0152572 [1,1,0,0,0,0|2,0,0]=4 642 B6R0.5 CNCC(C)(C)C CS-0039440 [1,1,0,0,0,0|2,0,0]=4 643 B6R0.5 CNCC(C)(C)O CS-0038213 [1,1,0,0,0,0|1,0,0]=3 644 B6R0.5 COCC(C)(C)O CS-0186349 [1,1,0,0,0,0|1,0,0]=3 645 B6R0.5 CSCC(C)(C)N CS-0107363 [1,1,0,0,0,0|2,0,0]=4 646 B6R0.6 BrCCCCCBr CS-W019956 [1,1,0,0,0,0|1,0,0]=3 647 B6R0.6 BrCCOCCBr CS-W014174 [1,1,0,0,0,0|2,0,0]=4 648 B6R0.6 C#CCCCCCl CS-0204489 [1,1,0,0,0,0|0,0,2]=4 649 B6R0.6 C#CCCCCI CS-0088557 [1,1,0,0,0,0|0,0,2]=4 650 B6R0.6 C#CCCCCN CS-0059697 [1,1,0,0,0,0|0,0,2]=4 651 B6R0.6 C#CCCCCN CS-0106594 [1,1,0,0,0,0|0,0,2]=4 652 B6R0.6 C#CCCCCO CS-W016659 [1,1,0,0,0,0|0,0,2]=4 653 B6R0.6 C(CC)=CCCO CS-W009552 [1,1,0,0,0,0|0,0,2]=4 654 B6R0.6 C(CO)=CCCC CS-W016652 [1,1,0,0,0,0|0,0,2]=4 655 B6R0.6 C=CCCCCBr CS-W008939 [1,1,0,0,0,0|0,0,2]=4 656 B6R0.6 C=CCCCCN CS-0210385 [1,1,0,0,0,0|0,0,2]=4 657 B6R0.6 C=CCCCCO CS-W013711 [1,1,0,0,0,0|0,0,2]=4 658 B6R0.6 CCC#CCCO CS-0040171 [1,1,0,0,0,0|0,0,2]=4 659 B6R0.6 CCCCCCI CS-0132388 [1,1,0,0,0,0|0,0,0]=2 660 B6R0.6 CCCCCCN CS-0196786 [1,1,0,0,0,0|0,0,0]=2 661 B6R0.6 CCCNCCC CS-0187381 [1,1,0,0,0,0|0,0,0]=2 662 B6R0.6 CCCNCCC CS-0214120 [1,1,0,0,0,0|0,0,0]=2 663 B6R0.6 CCCNCCO CS-0105782 [1,1,0,0,0,0|1,0,0]=3 664 B6R0.6 CCCOCCCl CS-0200392 [1,1,0,0,0,0|1,0,0]=3 665 B6R0.6 CCNCCCN CS-0151962 [1,1,0,0,0,0|1,0,0]=3 666 B6R0.6 CCOCCCO CS-W013685 [1,1,0,0,0,0|1,0,0]=3 667 B6R0.6 CC\C=C/CCO CS-W011323 [1,1,0,0,0,0|0,0,2]=4 668 B6R0.6 CNCCCCBr CS-0163109 [1,1,0,0,0,0|1,0,0]=3 669 B6R0.6 CNCCCCO CS-W006493 [1,1,0,0,0,0|1,0,0]=3 670 B6R0.6 COCCCCBr CS-W021313 [1,1,0,0,0,0|1,0,0]=3 671 B6R0.6 COCCCCCl CS-0039726 [1,1,0,0,0,0|1,0,0]=3 672 B6R0.6 COCCCCO CS-0150179 [1,1,0,0,0,0|1,0,0]=3 673 B6R0.6 CSCCCCO CS-0204406 [1,1,0,0,0,0|1,0,0]=3 674 B6R0.6 ClCCCCCBr CS-W016940 [1,1,0,0,0,0|1,0,0]=3 675 B6R0.6 ClCCCCCI CS-0135342 [1,1,0,0,0,0|1,0,0]=3 676 B6R0.6 ClCCNCCCl CS-W020124 [1,1,0,0,0,0|2,0,0]=4 677 B6R0.6 FCCCCCBr CS-W005161 [1,1,0,0,0,0|1,0,0]=3 678 B6R0.6 ICCCCCI CS-0041009 [1,1,0,0,0,0|1,0,0]=3 679 B6R0.6 ICCOCCI CS-W011980 [1,1,0,0,0,0|2,0,0]=4 680 B6R0.6 N#CCCCCBr CS-D1429 [1,1,0,0,0,0|1,0,1]=4 681 B6R0.6 N#CCCCCCl CS-W022361 [1,1,0,0,0,0|1,0,1]=4 682 B6R0.6 NCCCCCBr CS-0006784 [1,1,0,0,0,0|1,0,0]=3 683 B6R0.6 NCCCCCN CS-W017466 [1,1,0,0,0,0|1,0,0]=3 684 B6R0.6 NCCCCCO CS-W013687 [1,1,0,0,0,0|1,0,0]=3 685 B6R0.6 NCCNCCN CS-0498854 [1,1,0,0,0,0|2,0,0]=4 686 B6R0.6 NCCNCCO CS-W011299 [1,1,0,0,0,0|2,0,0]=4 687 B6R0.6 NCCOCCN CS-0114847 [1,1,0,0,0,0|2,0,0]=4 688 B6R0.6 NCCOCCN CS-0115750 [1,1,0,0,0,0|2,0,0]=4 689 B6R0.6 NCCOCCO CS-1013822 [1,1,0,0,0,0|2,0,0]=4 690 B6R0.6 NCCOCCO CS-1013830 [1,1,0,0,0,0|2,0,0]=4 691 B6R0.6 NCCOCCO CS-1014116 [1,1,0,0,0,0|2,0,0]=4 692 B6R0.6 NCCSCCN CS-W013570 [1,1,0,0,0,0|2,0,0]=4 693 B6R0.6 OCCCCCBr CS-0905394 [1,1,0,0,0,0|1,0,0]=3 694 B6R0.6 OCCCCCBr CS-W007393 [1,1,0,0,0,0|1,0,0]=3 695 B6R0.6 OCCCCCCl CS-0095410 [1,1,0,0,0,0|1,0,0]=3 696 B6R0.6 OCCCCCI CS-0252955 [1,1,0,0,0,0|1,0,0]=3 697 B6R0.6 OCCCCCO CS-W020635 [1,1,0,0,0,0|1,0,0]=3 698 B6R0.6 OCCNCCCl CS-0064563 [1,1,0,0,0,0|2,0,0]=4 699 B6R0.6 OCCOCCBr CS-0114928 [1,1,0,0,0,0|2,0,0]=4 700 B6R0.6 OCCOCCCl CS-0016058 [1,1,0,0,0,0|2,0,0]=4 701 B6R0.6 OCCOCCF CS-0199113 [1,1,0,0,0,0|2,0,0]=4 702 B6R0.6 OCCOCCI CS-0139452 [1,1,0,0,0,0|2,0,0]=4 703 B6R0.8 CCC(C)(C)CN CS-0590202 [1,1,0,0,0,0|2,0,0]=4 704 B6R0.8 CCS(=O)(=O)CC CS-0376644 [1,1,0,0,0,0|1,0,1]=4 705 B6R0.9 CCC(CC)CBr CS-0132321 [1,1,0,0,0,0|1,0,0]=3 706 B6R0.9 CCC(CC)NN CS-0210677 [1,1,0,0,0,0|1,0,0]=3 707 B6R0.9 CCN(C=O)CC CS-W009551 [1,1,0,0,0,0|1,0,1]=4 708 B6R0.9 CCN(CC)CC CS-0152028 [1,1,0,0,0,0|2,0,0]=4 709 B6R0.9 CCN(CC)CC CS-0187700 [1,1,0,0,0,0|2,0,0]=4 710 B6R0.9 CCN(CC)CC CS-0199232 [1,1,0,0,0,0|2,0,0]=4 711 B6R0.9 CCN(CC)N=O CS-0128799 [1,1,0,0,0,0|1,0,1]=4 712 B6R0.9 COC(CBr)OC CS-W018536 [1,1,0,0,0,0|2,0,0]=4 713 B6R0.9 COC(CN)OC CS-0015304 [1,1,0,0,0,0|2,0,0]=4 714 B6R0.9 COC(CO)OC CS-W011294 [1,1,0,0,0,0|2,0,0]=4 715 B6R0.9 OCC(CO)CO CS-W005889 [1,1,0,0,0,0|2,0,0]=4 716 B8R0.2 COC(=O)C(O)C(C)C CS-0254529 [0,2,0,0,0,0|1,0,1]=4 717 B8R0.2 COC(=O)[C@@H](O)C(C)C CS-0186193 [0,2,0,0,0,0|1,0,1]=4 718 B8R0.2 COC(=O)[C@H](O)C(C)C CS-0160105 [0,2,0,0,0,0|1,0,1]=4 719 B8R0.5 CCC[C@H](N)CC(=O)O CS-0152590 [0,2,0,0,0,0|1,0,1]=4 720 B8R0.5 CCC[C@H](N)CC(=O)O CS-0678068 [0,2,0,0,0,0|1,0,1]=4 721 B8R0.5 CCOC(=O)CC(C)Br CS-0197403 [0,2,0,0,0,0|0,0,2]=4 722 B8R0.5 CCOC(=O)CC(C)N CS-0030781 [0,2,0,0,0,0|0,0,2]=4 723 B8R0.5 CCOC(=O)CC(C)O CS-W013417 [0,2,0,0,0,0|0,0,2]=4 724 B8R0.5 CCOC(=O)C[C@@H](C)N CS-0162169 [0,2,0,0,0,0|0,0,2]=4 725 B8R0.5 CCOC(=O)C[C@H](C)N CS-0095476 [0,2,0,0,0,0|0,0,2]=4 726 B8R0.5 CCOC(=O)C[C@H](C)O CS-0112519 [0,2,0,0,0,0|0,0,2]=4 727 B8R0.16 CCC(CO)CC(C)C CS-0152610 [0,2,0,0,0,0|0,0,0]=2 728 B8R0.16 COC(CC(C)=O)OC CS-0008327 [0,2,0,0,0,0|1,0,1]=4 729 B8R0.16 COC(CN(C)C)OC CS-W011080 [0,2,0,0,0,0|2,0,0]=4 730 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [0,2,0,0,0,0|0,0,2]=4 731 B8R0.19 CC[C@@H](O)CC(=O)OC CS-0852565 [0,2,0,0,0,0|0,0,1]=3 732 B8R0.23 CC(C)C[C@@H](O)C(=O)O CS-0000170 [0,2,0,0,0,0|1,0,1]=4 733 B8R0.23 CC(C)C[C@H](O)C(=O)O CS-0000169 [0,2,0,0,0,0|1,0,1]=4 734 B8R0.24 CCC(C)OC(C)(C)C CS-0187818 [0,2,0,0,0,0|2,0,0]=4 735 B8R0.24 C[N+](C)(C)CC(O)CCl CS-0010102 [0,2,0,0,0,0|2,0,0]=4 736 B8R0.24 C[N+](C)(C)CC(O)CO CS-0163235 [0,2,0,0,0,0|2,0,0]=4 737 B8R0.24 C[N+](C)(C)C[C@@H](O)CCl CS-0102622 [0,2,0,0,0,0|2,0,0]=4 738 B8R0.24 C[N+](C)(C)C[C@H](O)CCl CS-0102620 [0,2,0,0,0,0|2,0,0]=4 739 B8R0.34 C#CC(C)(O)CC(C)C CS-W013492 [0,2,0,0,0,0|0,0,2]=4 740 B8R0.1 CCCCC(O)CCC CS-0362569 [0,2,0,0,0,0|0,0,0]=2 741 B8R0.1 CCCCN(C)CCO CS-0132259 [0,2,0,0,0,0|2,0,0]=4 742 B8R0.1 CCOC(=O)CCCBr CS-W020133 [0,2,0,0,0,0|0,0,2]=4 743 B8R0.1 CCOC(=O)CCCI CS-0029516 [0,2,0,0,0,0|0,0,2]=4 744 B8R0.1 CCOC(=O)CCCN CS-W010794 [0,2,0,0,0,0|0,0,2]=4 745 B8R0.1 CCOCC(=O)OCC CS-0151430 [0,2,0,0,0,0|0,0,2]=4 746 B8R0.3 CCCC(N)C(=O)OC CS-0152454 [0,2,0,0,0,0|1,0,1]=4 747 B8R0.3 CCC[C@H](N)C(=O)OC CS-0152592 [0,2,0,0,0,0|1,0,1]=4 748 B8R0.3 CCOC(=O)C(Br)CC CS-W010634 [0,2,0,0,0,0|0,0,2]=4 749 B8R0.3 CCOC(=O)C(N)CC CS-0197280 [0,2,0,0,0,0|0,0,2]=4 750 B8R0.3 CCOC(=O)C(O)CC CS-0185728 [0,2,0,0,0,0|0,0,1]=3 751 B8R0.3 CCOC(=O)[C@@H](N)CC CS-0162057 [0,2,0,0,0,0|0,0,2]=4 752 B8R0.3 CCOC(=O)[C@@H](O)CC CS-0527449 [0,2,0,0,0,0|0,0,1]=3 753 B8R0.3 O=CC[C@H](O)[C@H](O)CO CS-M3535 [0,2,0,0,0,0|1,0,1]=4 754 B8R0.6 C#CC(O)CCCCC CS-W011154 [0,2,0,0,0,0|0,0,2]=4 755 B8R0.6 C=CC(O)CCCCC CS-W011126 [0,2,0,0,0,0|0,0,2]=4 756 B8R0.6 CCCCCC(O)CC CS-0152331 [0,2,0,0,0,0|0,0,0]=2 757 B8R0.6 CCCCC[C@@H](O)CC CS-0464840 [0,2,0,0,0,0|0,0,0]=2 758 B8R0.8 CCCCC(O)C(=O)O CS-M0542 [0,2,0,0,0,0|1,0,1]=4 759 B8R0.8 CSCCC(O)C(=O)O CS-0066284 [0,2,0,0,0,0|1,0,1]=4 760 B8R0.11 CCCCC(CC)CBr CS-W004392 [0,2,0,0,0,0|1,0,0]=3 761 B8R0.11 CCCCC(CC)CCl CS-W016329 [0,2,0,0,0,0|1,0,0]=3 762 B8R0.11 CCCCC(CC)CO CS-0016002 [0,2,0,0,0,0|0,0,0]=2 763 B8R0.11 CCCCC(CO)CO CS-W016543 [0,2,0,0,0,0|1,0,0]=3 764 B8R0.11 CCN(CC)CCCO CS-W011099 [0,2,0,0,0,0|2,0,0]=4 765 B8R0.11 COC(CCC#N)OC CS-W002123 [0,2,0,0,0,0|1,0,1]=4 766 B8R0.11 COC(CCCCl)OC CS-W008139 [0,2,0,0,0,0|1,0,0]=3 767 B8R0.14 CCCC(C)C(C)(C)O CS-0296920 [0,2,0,0,0,0|1,0,0]=3 768 B8R0.14 OCC[C@H](O)C(F)(F)F CS-0463233 [0,2,0,0,0,0|2,0,0]=4 769 B8R0.15 CCCC(CC)C(=O)O CS-0152450 [0,2,0,0,0,0|0,0,0]=2 770 B8R0.15 CCCC(CN)C(=O)O CS-0259298 [0,2,0,0,0,0|1,0,0]=3 771 B8R0.22 CCCC(C#N)CCC CS-0186685 [0,2,0,0,0,0|1,0,0]=3 772 B8R0.22 CCCC(CO)CCC CS-0204896 [0,2,0,0,0,0|0,0,0]=2 773 B8R0.22 CCCN(C=O)CCC CS-W011117 [0,2,0,0,0,0|1,0,1]=4 774 B8R0.22 CCOC(C#N)OCC CS-W013452 [0,2,0,0,0,0|2,0,0]=4 775 B8R0.22 CCOC(CCl)OCC CS-0016031 [0,2,0,0,0,0|2,0,0]=4 776 B8R0.22 CCOC(CI)OCC CS-0215062 [0,2,0,0,0,0|2,0,0]=4 777 B8R0.22 CCOC(CN)OCC CS-W001150 [0,2,0,0,0,0|2,0,0]=4 778 B8R0.22 CCOC(CO)OCC CS-W011070 [0,2,0,0,0,0|1,0,0]=3 779 B8R0.30 CCCC(C)(O)CCC CS-0360467 [0,2,0,0,0,0|0,0,0]=2 780 B8R0.30 CCOP(=O)(O)OCC CS-6295 [0,2,0,0,0,0|2,0,0]=4 781 B6R1.2 BrC1CCNC1 CS-W005728 [1,0,0,1,0,0|2,0,0]=4 782 B6R1.2 BrC1CCOC1 CS-W004035 [1,0,0,1,0,0|2,0,0]=4 783 B6R1.2 CC1CCNC1 CS-W021968 [1,0,0,1,0,0|2,0,0]=4 784 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [1,0,0,1,0,0|1,0,0]=3 785 B6R1.2 C[C@H]1CCNC1 CS-0040457 [1,0,0,1,0,0|2,0,0]=4 786 B6R1.2 FC1CCNC1 CS-W005668 [1,0,0,1,0,0|2,0,0]=4 787 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [1,0,0,1,0,0|2,0,0]=4 788 B6R1.2 IC1CCCC1 CS-0067150 [1,0,0,1,0,0|1,0,0]=3 789 B6R1.2 IC1CCOC1 CS-W004266 [1,0,0,1,0,0|2,0,0]=4 790 B6R1.2 I[C@@H]1CCOC1 CS-0055199 [1,0,0,1,0,0|2,0,0]=4 791 B6R1.2 I[C@H]1CCOC1 CS-0053265 [1,0,0,1,0,0|2,0,0]=4 792 B6R1.2 NC1CCNC1 CS-W016190 [1,0,0,1,0,0|2,0,0]=4 793 B6R1.2 NC1CCOC1 CS-D1564 [1,0,0,1,0,0|2,0,0]=4 794 B6R1.2 NC1CCOC1 CS-W011353 [1,0,0,1,0,0|2,0,0]=4 795 B6R1.2 N[C@@H]1CCNC1 CS-W010887 [1,0,0,1,0,0|2,0,0]=4 796 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [1,0,0,1,0,0|2,0,0]=4 797 B6R1.2 N[C@H]1CCNC1 CS-W013278 [1,0,0,1,0,0|2,0,0]=4 798 B6R1.2 N[C@H]1CCOC1 CS-W019697 [1,0,0,1,0,0|2,0,0]=4 799 B6R1.2 O=S1CCCC1 CS-0207394 [1,0,0,1,0,0|1,0,1]=4 800 B6R1.2 OC1C=CCC1 CS-0451001 [1,0,0,1,0,0|0,0,2]=4 801 B6R1.2 OC1CC=CC1 CS-W002682 [1,0,0,1,0,0|0,0,2]=4 802 B6R1.2 OC1CCNC1 CS-W002985 [1,0,0,1,0,0|1,0,0]=3 803 B6R1.2 OC1CCNC1 CS-W022946 [1,0,0,1,0,0|1,0,0]=3 804 B6R1.2 OC1CCOC1 CS-M0786 [1,0,0,1,0,0|1,0,0]=3 805 B6R1.2 OC1CCSC1 CS-0185375 [1,0,0,1,0,0|1,0,0]=3 806 B6R1.2 OC1CNOC1 CS-0271204 [1,0,0,1,0,0|2,0,0]=4 807 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [1,0,0,1,0,0|1,0,0]=3 808 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [1,0,0,1,0,0|1,0,0]=3 809 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [1,0,0,1,0,0|1,0,0]=3 810 B6R1.2 O[C@H]1CCNC1 CS-M0906 [1,0,0,1,0,0|1,0,0]=3 811 B6R1.2 O[C@H]1CCNC1 CS-W008801 [1,0,0,1,0,0|1,0,0]=3 812 B6R1.2 O[C@H]1CCOC1 CS-D0600 [1,0,0,1,0,0|1,0,0]=3 813 B6R1.2 O[C@H]1CNOC1 CS-0060087 [1,0,0,1,0,0|2,0,0]=4 814 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [1,0,0,1,0,0|2,0,0]=4 815 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [1,0,0,1,0,0|2,0,0]=4 816 B6R1.3 BrCCC1CO1 CS-0158422 [1,0,0,1,0,0|1,0,0]=3 817 B6R1.3 CCNC1CC1 CS-0046972 [1,0,0,1,0,0|2,0,0]=4 818 B6R1.3 CNCC1CC1 CS-0045377 [1,0,0,1,0,0|2,0,0]=4 819 B6R1.3 COC[C@H]1CO1 CS-0165613 [1,0,0,1,0,0|1,0,0]=3 820 B6R1.3 ICCC1CC1 CS-0012702 [1,0,0,1,0,0|2,0,0]=4 821 B6R1.3 NCCC1CC1 CS-W006511 [1,0,0,1,0,0|2,0,0]=4 822 B6R1.3 OCCC1CC1 CS-W016679 [1,0,0,1,0,0|2,0,0]=4 823 B6R1.3 OCC[C@@H]1CO1 CS-0057154 [1,0,0,1,0,0|1,0,0]=3 824 B6R1.5 CC1CC(N)C1 CS-W006905 [1,0,0,1,0,0|1,0,0]=3 825 B6R1.5 CN1CC(Cl)C1 CS-0504631 [1,0,0,1,0,0|2,0,0]=4 826 B6R1.5 CN1CC(O)C1 CS-0040831 [1,0,0,1,0,0|1,0,0]=3 827 B6R1.5 CN1CC(O)C1 CS-0041554 [1,0,0,1,0,0|1,0,0]=3 828 B6R1.5 NC1CC(F)C1 CS-0045538 [1,0,0,1,0,0|2,0,0]=4 829 B6R1.5 NC1CC(O)C1 CS-W003832 [1,0,0,1,0,0|1,0,0]=3 830 B6R1.5 NC1CC(O)C1 CS-W020372 [1,0,0,1,0,0|1,0,0]=3 831 B6R1.5 N[C@H]1C[C@@H](F)C1 CS-0049708 [1,0,0,1,0,0|2,0,0]=4 832 B6R1.5 N[C@H]1C[C@@H](O)C1 CS-W022615 [1,0,0,1,0,0|1,0,0]=3 833 B6R1.5 N[C@H]1C[C@H](Br)C1 CS-0309496 [1,0,0,1,0,0|2,0,0]=4 834 B6R1.5 N[C@H]1C[C@H](F)C1 CS-0047786 [1,0,0,1,0,0|2,0,0]=4 835 B6R1.5 N[C@H]1C[C@H](O)C1 CS-W023030 [1,0,0,1,0,0|1,0,0]=3 836 B6R1.5 O=C1CC(O)C1 CS-0051337 [1,0,0,1,0,0|1,0,1]=4 837 B6R1.10 CC1(C)CNC1 CS-W003726 [1,0,0,1,0,0|2,0,0]=4 838 B6R1.10 CC1(F)CNC1 CS-0051364 [1,0,0,1,0,0|2,0,0]=4 839 B6R1.10 CC1(N)CCC1 CS-W021359 [1,0,0,1,0,0|1,0,0]=3 840 B6R1.10 CC1(N)COC1 CS-0045507 [1,0,0,1,0,0|2,0,0]=4 841 B6R1.10 CC1(O)CCC1 CS-0168123 [1,0,0,1,0,0|0,0,0]=2 842 B6R1.10 CC1(O)CNC1 CS-0007720 [1,0,0,1,0,0|1,0,0]=3 843 B6R1.10 CC1(O)COC1 CS-W005276 [1,0,0,1,0,0|1,0,0]=3 844 B6R1.11 CC(N)C1CC1 CS-0112917 [1,0,0,1,0,0|1,0,0]=3 845 B6R1.11 C[C@@H](N)C1CC1 CS-0034128 [1,0,0,1,0,0|1,0,0]=3 846 B6R1.11 C[C@H](N)C1CC1 CS-0036411 [1,0,0,1,0,0|1,0,0]=3 847 B6R1.11 O=C(O)C1CC1 CS-W018339 [1,0,0,1,0,0|1,0,1]=4 848 B6R1.11 OB(O)C1CC1 CS-D1018 [1,0,0,1,0,0|2,0,0]=4 849 B6R1.1 C1CCNNC1 CS-0038680 [1,0,0,1,0,0|2,0,0]=4 850 B6R1.1 C1CCONC1 CS-W000777 [1,0,0,1,0,0|2,0,0]=4 851 B6R1.1 C1CNCCN1 CS-0214091 [1,0,0,1,0,0|2,0,0]=4 852 B6R1.1 C1CNCCN1 CS-0214115 [1,0,0,1,0,0|2,0,0]=4 853 B6R1.1 C1CSCCN1 CS-W007359 [1,0,0,1,0,0|2,0,0]=4 854 B6R1.1 C1CSCCO1 CS-0155184 [1,0,0,1,0,0|2,0,0]=4 855 B6R1.1 C1CSCCS1 CS-0698377 [1,0,0,1,0,0|2,0,0]=4 856 B6R1.1 C1CSCSC1 CS-W001189 [1,0,0,1,0,0|2,0,0]=4 857 B6R1.4 C[C@@H]1NC[C@@H]1O CS-0172767 [1,0,0,1,0,0|2,0,0]=4 858 B6R1.4 NC1CCC1F CS-0505919 [1,0,0,1,0,0|2,0,0]=4 859 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [1,0,0,1,0,0|2,0,0]=4 860 B6R1.6 BrCC1CCC1 CS-0015296 [1,0,0,1,0,0|1,0,0]=3 861 B6R1.6 BrCC1COC1 CS-W018850 [1,0,0,1,0,0|2,0,0]=4 862 B6R1.6 CNC1CCC1 CS-0054580 [1,0,0,1,0,0|1,0,0]=3 863 B6R1.6 CNC1CNC1 CS-0043910 [1,0,0,1,0,0|2,0,0]=4 864 B6R1.6 CNC1COC1 CS-0040193 [1,0,0,1,0,0|2,0,0]=4 865 B6R1.6 COC1CNC1 CS-W008894 [1,0,0,1,0,0|2,0,0]=4 866 B6R1.6 CSC1CNC1 CS-0051673 [1,0,0,1,0,0|2,0,0]=4 867 B6R1.6 FCC1CNC1 CS-0085106 [1,0,0,1,0,0|2,0,0]=4 868 B6R1.6 ICC1CCC1 CS-0053096 [1,0,0,1,0,0|1,0,0]=3 869 B6R1.6 ICC1CCO1 CS-0052227 [1,0,0,1,0,0|2,0,0]=4 870 B6R1.6 ICC1COC1 CS-0045504 [1,0,0,1,0,0|2,0,0]=4 871 B6R1.6 N#CC1CCC1 CS-0007644 [1,0,0,1,0,0|1,0,1]=4 872 B6R1.6 NCC1CCC1 CS-W004986 [1,0,0,1,0,0|1,0,0]=3 873 B6R1.6 NCC1CCO1 CS-0048767 [1,0,0,1,0,0|2,0,0]=4 874 B6R1.6 NCC1CNC1 CS-W022574 [1,0,0,1,0,0|2,0,0]=4 875 B6R1.6 NCC1COC1 CS-W008698 [1,0,0,1,0,0|2,0,0]=4 876 B6R1.6 NC[C@@H]1CCO1 CS-0100100 [1,0,0,1,0,0|2,0,0]=4 877 B6R1.6 NNC1CCC1 CS-0054590 [1,0,0,1,0,0|2,0,0]=4 878 B6R1.6 NNC1CCC1 CS-D1710 [1,0,0,1,0,0|2,0,0]=4 879 B6R1.6 OCC1CCC1 CS-W001922 [1,0,0,1,0,0|1,0,0]=3 880 B6R1.6 OCC1CCN1 CS-0049913 [1,0,0,1,0,0|2,0,0]=4 881 B6R1.6 OCC1CCO1 CS-W019194 [1,0,0,1,0,0|2,0,0]=4 882 B6R1.6 OCC1CNC1 CS-D1756 [1,0,0,1,0,0|2,0,0]=4 883 B6R1.7 CC1(CN)CC1 CS-0037189 [1,0,0,1,0,0|2,0,0]=4 884 B6R1.7 CC1(CO)CC1 CS-W000081 [1,0,0,1,0,0|2,0,0]=4 885 B6R1.7 NC1(CF)CC1 CS-0139594 [1,0,0,1,0,0|2,0,0]=4 886 B6R1.7 NC1(CO)CC1 CS-0040895 [1,0,0,1,0,0|2,0,0]=4 887 B6R1.7 NC1(CO)CC1 CS-D0148 [1,0,0,1,0,0|2,0,0]=4 888 B6R1.7 NCC1(O)CC1 CS-W005471 [1,0,0,1,0,0|1,0,0]=3 889 B6R1.7 OCC1(F)CC1 CS-W000077 [1,0,0,1,0,0|2,0,0]=4 890 B6R1.7 OCC1(O)CC1 CS-0037029 [1,0,0,1,0,0|1,0,0]=3 891 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [0,1,0,1,0,0|0,0,2]=4 892 B8R1.1 CCC1COC(=O)O1 CS-0187002 [0,1,0,1,0,0|1,0,1]=4 893 B8R1.1 CN1CCC(CO)C1 CS-0005413 [0,1,0,1,0,0|1,0,0]=3 894 B8R1.1 CN1CC[C@@H](CO)C1 CS-D0333 [0,1,0,1,0,0|1,0,0]=3 895 B8R1.1 CN[C@@H]1CCN(C)C1 CS-0053320 [0,1,0,1,0,0|2,0,0]=4 896 B8R1.1 COC1CCC(N)C1 CS-0051286 [0,1,0,1,0,0|1,0,0]=3 897 B8R1.1 O=C1CCC(CO)C1 CS-0315717 [0,1,0,1,0,0|0,0,2]=4 898 B8R1.1 O=C1CCC(CO)O1 CS-0113560 [0,1,0,1,0,0|1,0,1]=4 899 B8R1.1 OC[C@@H]1C[C@@H](F)CN1 CS-0035888 [0,1,0,1,0,0|2,0,0]=4 900 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 CS-0043961 [0,1,0,1,0,0|1,0,0]=3 901 B8R1.1 OC[C@@H]1C[C@H](F)CN1 CS-0466009 [0,1,0,1,0,0|2,0,0]=4 902 B8R1.1 OC[C@H]1C[C@@H](F)CN1 CS-0623474 [0,1,0,1,0,0|2,0,0]=4 903 B8R1.1 OC[C@H]1C[C@@H](O)CN1 CS-0181811 [0,1,0,1,0,0|1,0,0]=3 904 B8R1.1 OC[C@H]1C[C@H](O)CN1 CS-0053224 [0,1,0,1,0,0|1,0,0]=3 905 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [0,1,0,1,0,0|0,0,2]=4 906 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [0,1,0,1,0,0|0,0,2]=4 907 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [0,1,0,1,0,0|0,0,2]=4 908 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [0,1,0,1,0,0|0,0,2]=4 909 B8R1.4 CC1CCCC(N)C1 CS-D0430 [0,1,0,1,0,0|1,0,0]=3 910 B8R1.4 CC1CN(C)CCN1 CS-0173710 [0,1,0,1,0,0|2,0,0]=4 911 B8R1.4 CC1CNCC(C)N1 CS-W013629 [0,1,0,1,0,0|2,0,0]=4 912 B8R1.4 CC1COCC(C)N1 CS-0075433 [0,1,0,1,0,0|2,0,0]=4 913 B8R1.4 CN1CCCC(N)C1 CS-W003989 [0,1,0,1,0,0|1,0,0]=3 914 B8R1.4 CN1CCC[C@@H](N)C1 CS-0030803 [0,1,0,1,0,0|1,0,0]=3 915 B8R1.4 CN1CCC[C@@H](N)C1 CS-0053341 [0,1,0,1,0,0|1,0,0]=3 916 B8R1.4 CN1CCC[C@H](N)C1 CS-0053774 [0,1,0,1,0,0|1,0,0]=3 917 B8R1.4 CN1CCC[C@H](N)C1 CS-W021153 [0,1,0,1,0,0|1,0,0]=3 918 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [0,1,0,1,0,0|0,0,2]=4 919 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [0,1,0,1,0,0|0,0,2]=4 920 B8R1.4 C[C@@H]1CN(C)CCN1 CS-0006865 [0,1,0,1,0,0|2,0,0]=4 921 B8R1.4 C[C@@H]1CN(C)CCN1 CS-0067514 [0,1,0,1,0,0|2,0,0]=4 922 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 CS-0001868 [0,1,0,1,0,0|2,0,0]=4 923 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 CS-0088046 [0,1,0,1,0,0|2,0,0]=4 924 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 CS-W005832 [0,1,0,1,0,0|2,0,0]=4 925 B8R1.4 C[C@@H]1CNC[C@H](C)C1 CS-0139658 [0,1,0,1,0,0|1,0,0]=3 926 B8R1.4 C[C@@H]1COC[C@@H](C)N1 CS-0084653 [0,1,0,1,0,0|2,0,0]=4 927 B8R1.4 C[C@@H]1COC[C@@H](C)N1 CS-0112796 [0,1,0,1,0,0|2,0,0]=4 928 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [0,1,0,1,0,0|0,0,2]=4 929 B8R1.4 C[C@H]1CCC[C@@H](C)N1 CS-0015754 [0,1,0,1,0,0|1,0,0]=3 930 B8R1.4 C[C@H]1CCC[C@@H](C)N1 CS-0995219 [0,1,0,1,0,0|1,0,0]=3 931 B8R1.4 C[C@H]1CN(C)CCN1 CS-0054951 [0,1,0,1,0,0|2,0,0]=4 932 B8R1.4 C[C@H]1CN(C)CCN1 CS-0183803 [0,1,0,1,0,0|2,0,0]=4 933 B8R1.4 C[C@H]1CNC[C@@H](C)N1 CS-W013630 [0,1,0,1,0,0|2,0,0]=4 934 B8R1.4 C[C@H]1CNC[C@@H](C)O1 CS-0008437 [0,1,0,1,0,0|2,0,0]=4 935 B8R1.4 C[C@H]1CNC[C@H](C)O1 CS-0102294 [0,1,0,1,0,0|2,0,0]=4 936 B8R1.4 C[C@H]1COC[C@@H](C)N1 CS-0049722 [0,1,0,1,0,0|2,0,0]=4 937 B8R1.4 C[C@H]1COC[C@@H](C)N1 CS-0057260 [0,1,0,1,0,0|2,0,0]=4 938 B8R1.4 C[C@H]1COC[C@H](C)N1 CS-0102260 [0,1,0,1,0,0|2,0,0]=4 939 B8R1.4 C[C@H]1COC[C@H](C)N1 CS-0147828 [0,1,0,1,0,0|2,0,0]=4 940 B8R1.4 NC1CCCC(N)C1 CS-0129557 [0,1,0,1,0,0|1,0,0]=3 941 B8R1.4 NC1CCCC(O)C1 CS-W005423 [0,1,0,1,0,0|0,0,0]=2 942 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 CS-0047790 [0,1,0,1,0,0|0,0,0]=2 943 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 CS-0134685 [0,1,0,1,0,0|0,0,0]=2 944 B8R1.4 N[C@@H]1CCC[C@H](O)C1 CS-0112892 [0,1,0,1,0,0|0,0,0]=2 945 B8R1.4 N[C@H]1CCC[C@@H](N)C1 CS-0047588 [0,1,0,1,0,0|1,0,0]=3 946 B8R1.4 O=C1CC(O)CCN1 CS-W003628 [0,1,0,1,0,0|1,0,1]=4 947 B8R1.4 O=C1C[C@@H](O)CCN1 CS-W021175 [0,1,0,1,0,0|1,0,1]=4 948 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [0,1,0,1,0,0|1,0,1]=4 949 B8R1.40 O\C(CCl)=N/C1CC1 CS-W005640 [0,1,0,1,0,0|1,0,1]=4 950 B8R1.51 CC1(C)CC(O)CN1 CS-0050732 [0,1,0,1,0,0|1,0,0]=3 951 B8R1.51 CC1(C)CCC(=O)C1 CS-W018408 [0,1,0,1,0,0|0,0,2]=4 952 B8R1.51 NC1CCC(F)(F)C1 CS-0038956 [0,1,0,1,0,0|2,0,0]=4 953 B8R1.51 N[C@@H]1CCC(F)(F)C1 CS-0053637 [0,1,0,1,0,0|2,0,0]=4 954 B8R1.51 O=S1(=O)CCC(O)C1 CS-W017755 [0,1,0,1,0,0|2,0,0]=4 955 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 CS-0049703 [0,1,0,1,0,0|2,0,0]=4 956 B8R1.2 BrCC1CCCCC1 CS-W007517 [0,1,0,1,0,0|1,0,0]=3 957 B8R1.2 BrCC1CCCCO1 CS-0214963 [0,1,0,1,0,0|1,0,0]=3 958 B8R1.2 BrCC1CCNCC1 CS-W001304 [0,1,0,1,0,0|2,0,0]=4 959 B8R1.2 BrCC1CCOCC1 CS-W003105 [0,1,0,1,0,0|2,0,0]=4 960 B8R1.2 C#CC1CCCCC1 CS-W022720 [0,1,0,1,0,0|1,0,0]=3 961 B8R1.2 C#CC1CCCNC1 CS-0040070 [0,1,0,1,0,0|2,0,0]=4 962 B8R1.2 C#CC1CCNCC1 CS-0050866 [0,1,0,1,0,0|2,0,0]=4 963 B8R1.2 C#CC1CCOCC1 CS-0050867 [0,1,0,1,0,0|2,0,0]=4 964 B8R1.2 CCC1CCNCC1 CS-0147296 [0,1,0,1,0,0|1,0,0]=3 965 B8R1.2 CCC1CNCCN1 CS-D0270 [0,1,0,1,0,0|1,0,0]=3 966 B8R1.2 CCC1CNCCO1 CS-0080681 [0,1,0,1,0,0|0,0,0]=2 967 B8R1.2 CCC1COCCN1 CS-0059261 [0,1,0,1,0,0|1,0,0]=3 968 B8R1.2 CC[C@@H]1CNCCO1 CS-0096526 [0,1,0,1,0,0|0,0,0]=2 969 B8R1.2 CC[C@@H]1COCCN1 CS-0146937 [0,1,0,1,0,0|1,0,0]=3 970 B8R1.2 CC[C@@H]1COCCN1 CS-0146943 [0,1,0,1,0,0|1,0,0]=3 971 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [0,1,0,1,0,0|1,0,0]=3 972 B8R1.2 CC[C@H]1CNCCO1 CS-0100795 [0,1,0,1,0,0|0,0,0]=2 973 B8R1.2 CC[C@H]1COCCN1 CS-0146945 [0,1,0,1,0,0|1,0,0]=3 974 B8R1.2 CNC1CCCNC1 CS-W016863 [0,1,0,1,0,0|2,0,0]=4 975 B8R1.2 CNC1CCNCC1 CS-0048783 [0,1,0,1,0,0|2,0,0]=4 976 B8R1.2 CNC1CCOCC1 CS-D1570 [0,1,0,1,0,0|2,0,0]=4 977 B8R1.2 COC1=NCCCC1 CS-0150206 [0,1,0,1,0,0|1,0,1]=4 978 B8R1.2 COC1CCCCO1 CS-0197358 [0,1,0,1,0,0|1,0,0]=3 979 B8R1.2 COC1CCCNC1 CS-0051284 [0,1,0,1,0,0|1,0,0]=3 980 B8R1.2 COC1CCCNC1 CS-0150202 [0,1,0,1,0,0|1,0,0]=3 981 B8R1.2 COC1CCNCC1 CS-0040128 [0,1,0,1,0,0|1,0,0]=3 982 B8R1.2 COC1CCNCC1 CS-W005038 [0,1,0,1,0,0|1,0,0]=3 983 B8R1.2 CO[C@@H]1CCCNC1 CS-0053772 [0,1,0,1,0,0|1,0,0]=3 984 B8R1.2 CO[C@H]1CCCNC1 CS-0053262 [0,1,0,1,0,0|1,0,0]=3 985 B8R1.2 CSC1CCNCC1 CS-0051141 [0,1,0,1,0,0|1,1,0]=4 986 B8R1.2 ClCC1CCNCC1 CS-0051167 [0,1,0,1,0,0|2,0,0]=4 987 B8R1.2 ClCC1CCOCC1 CS-0069602 [0,1,0,1,0,0|2,0,0]=4 988 B8R1.2 ClCC1CNCCO1 CS-0060823 [0,1,0,1,0,0|1,0,0]=3 989 B8R1.2 FCC1CCCNC1 CS-W001354 [0,1,0,1,0,0|2,0,0]=4 990 B8R1.2 ICC1CCCCC1 CS-0155327 [0,1,0,1,0,0|1,0,0]=3 991 B8R1.2 ICC1CCCCO1 CS-0058218 [0,1,0,1,0,0|1,0,0]=3 992 B8R1.2 ICC1CCOCC1 CS-W001910 [0,1,0,1,0,0|2,0,0]=4 993 B8R1.2 N#CC1CCCCC1 CS-W019522 [0,1,0,1,0,0|1,0,0]=3 994 B8R1.2 N#CC1CCCCN1 CS-0187605 [0,1,0,1,0,0|2,0,0]=4 995 B8R1.2 N#CC1CCCNC1 CS-0315616 [0,1,0,1,0,0|2,0,0]=4 996 B8R1.2 N#CC1CCNCC1 CS-0007612 [0,1,0,1,0,0|2,0,0]=4 997 B8R1.2 N#CC1CCNCC1 CS-0019876 [0,1,0,1,0,0|2,0,0]=4 998 B8R1.2 N#CC1CCOCC1 CS-W019661 [0,1,0,1,0,0|2,0,0]=4 999 B8R1.2 N#CC1CNCCO1 CS-W005833 [0,1,0,1,0,0|1,0,1]=4 1000 B8R1.2 N#C[C@@H]1CCCNC1 CS-0053312 [0,1,0,1,0,0|2,0,0]=4 1001 B8R1.2 N#C[C@@H]1CCCNC1 CS-0060758 [0,1,0,1,0,0|2,0,0]=4 1002 B8R1.2 N#C[C@@H]1CNCCO1 CS-0103653 [0,1,0,1,0,0|1,0,1]=4 1003 B8R1.2 NCC1CCCCN1 CS-W011240 [0,1,0,1,0,0|2,0,0]=4 1004 B8R1.2 NCC1CCCNC1 CS-0028231 [0,1,0,1,0,0|2,0,0]=4 1005 B8R1.2 NCC1CCCOC1 CS-0048770 [0,1,0,1,0,0|1,0,0]=3 1006 B8R1.2 NCC1CCNCC1 CS-W011241 [0,1,0,1,0,0|2,0,0]=4 1007 B8R1.2 NCC1CCOCC1 CS-0036420 [0,1,0,1,0,0|2,0,0]=4 1008 B8R1.2 NCC1CCOCC1 CS-W008973 [0,1,0,1,0,0|2,0,0]=4 1009 B8R1.2 NCC1CCSCC1 CS-0045666 [0,1,0,1,0,0|2,0,0]=4 1010 B8R1.2 NCC1CNCCO1 CS-0046184 [0,1,0,1,0,0|1,0,0]=3 1011 B8R1.2 NCC1COCCO1 CS-0055041 [0,1,0,1,0,0|1,0,0]=3 1012 B8R1.2 NC[C@@H]1COCCO1 CS-0037059 [0,1,0,1,0,0|1,0,0]=3 1013 B8R1.2 NC[C@H]1COCCO1 CS-0053454 [0,1,0,1,0,0|1,0,0]=3 1014 B8R1.2 NNC1CCCCC1 CS-W007595 [0,1,0,1,0,0|1,0,0]=3 1015 B8R1.2 NNC1CCNCC1 CS-0109590 [0,1,0,1,0,0|2,0,0]=4 1016 B8R1.2 NNC1CCOCC1 CS-0037407 [0,1,0,1,0,0|2,0,0]=4 1017 B8R1.2 NNC1CCOCC1 CS-0047579 [0,1,0,1,0,0|2,0,0]=4 1018 B8R1.2 NNC1CCOCC1 CS-B0289 [0,1,0,1,0,0|2,0,0]=4 1019 B8R1.2 NOC1CCCCO1 CS-W007325 [0,1,0,1,0,0|1,0,0]=3 1020 B8R1.2 O=CC1CCNCC1 CS-0171609 [0,1,0,1,0,0|1,0,1]=4 1021 B8R1.2 O=CC1CCOCC1 CS-D1228 [0,1,0,1,0,0|1,0,1]=4 1022 B8R1.2 O=CC1CCSCC1 CS-0199595 [0,1,0,1,0,0|1,0,1]=4 1023 B8R1.2 O=CN1CCCCC1 CS-W016610 [0,1,0,1,0,0|1,0,1]=4 1024 B8R1.2 OCC1CC=CCC1 CS-W013655 [0,1,0,1,0,0|0,0,2]=4 1025 B8R1.2 OCC1CCC=CO1 CS-0020174 [0,1,0,1,0,0|1,0,1]=4 1026 B8R1.2 OCC1CCCCC1 CS-W011242 [0,1,0,1,0,0|0,0,0]=2 1027 B8R1.2 OCC1CCCCN1 CS-W013620 [0,1,0,1,0,0|1,0,0]=3 1028 B8R1.2 OCC1CCCCO1 CS-0034490 [0,1,0,1,0,0|1,0,0]=3 1029 B8R1.2 OCC1CCCNC1 CS-W001981 [0,1,0,1,0,0|1,0,0]=3 1030 B8R1.2 OCC1CCCOC1 CS-D0478 [0,1,0,1,0,0|1,0,0]=3 1031 B8R1.2 OCC1CCNCC1 CS-0185406 [0,1,0,1,0,0|1,0,0]=3 1032 B8R1.2 OCC1CCNCC1 CS-W002476 [0,1,0,1,0,0|1,0,0]=3 1033 B8R1.2 OCC1CCOCC1 CS-D1227 [0,1,0,1,0,0|1,0,0]=3 1034 B8R1.2 OCC1CCSCC1 CS-0053969 [0,1,0,1,0,0|1,0,0]=3 1035 B8R1.2 OCC1CNCCN1 CS-0146587 [0,1,0,1,0,0|2,0,0]=4 1036 B8R1.2 OCC1CNCCO1 CS-0106282 [0,1,0,1,0,0|1,0,0]=3 1037 B8R1.2 OCC1CNCCO1 CS-W022892 [0,1,0,1,0,0|1,0,0]=3 1038 B8R1.2 OCC1COCCN1 CS-0053095 [0,1,0,1,0,0|2,0,0]=4 1039 B8R1.2 OCC1COCCN1 CS-0104915 [0,1,0,1,0,0|2,0,0]=4 1040 B8R1.2 OCC1COCCO1 CS-0130467 [0,1,0,1,0,0|1,0,0]=3 1041 B8R1.2 OC[C@@H]1CCCCN1 CS-W001568 [0,1,0,1,0,0|1,0,0]=3 1042 B8R1.2 OC[C@@H]1CCCNC1 CS-0030374 [0,1,0,1,0,0|1,0,0]=3 1043 B8R1.2 OC[C@@H]1CCCNC1 CS-W018674 [0,1,0,1,0,0|1,0,0]=3 1044 B8R1.2 OC[C@@H]1CNCCN1 CS-0146586 [0,1,0,1,0,0|2,0,0]=4 1045 B8R1.2 OC[C@@H]1CNCCO1 CS-W003855 [0,1,0,1,0,0|1,0,0]=3 1046 B8R1.2 OC[C@@H]1COCCN1 CS-0034507 [0,1,0,1,0,0|2,0,0]=4 1047 B8R1.2 OC[C@@H]1COCCN1 CS-W018991 [0,1,0,1,0,0|2,0,0]=4 1048 B8R1.2 OC[C@@H]1COCCO1 CS-0041581 [0,1,0,1,0,0|1,0,0]=3 1049 B8R1.2 OC[C@H]1CCCCN1 CS-W018567 [0,1,0,1,0,0|1,0,0]=3 1050 B8R1.2 OC[C@H]1CCCNC1 CS-0133006 [0,1,0,1,0,0|1,0,0]=3 1051 B8R1.2 OC[C@H]1CCCNC1 CS-W019674 [0,1,0,1,0,0|1,0,0]=3 1052 B8R1.2 OC[C@H]1CNCCN1 CS-0042552 [0,1,0,1,0,0|2,0,0]=4 1053 B8R1.2 OC[C@H]1CNCCN1 CS-0106317 [0,1,0,1,0,0|2,0,0]=4 1054 B8R1.2 OC[C@H]1CNCCO1 CS-0108806 [0,1,0,1,0,0|1,0,0]=3 1055 B8R1.2 OC[C@H]1CNCCO1 CS-W003761 [0,1,0,1,0,0|1,0,0]=3 1056 B8R1.2 OC[C@H]1COCCN1 CS-0031401 [0,1,0,1,0,0|2,0,0]=4 1057 B8R1.2 OC[C@H]1COCCN1 CS-W006711 [0,1,0,1,0,0|2,0,0]=4 1058 B8R1.2 OC[C@H]1COCCO1 CS-0102180 [0,1,0,1,0,0|1,0,0]=3 1059 B8R1.2 ON=C1CCOCC1 CS-0045844 [0,1,0,1,0,0|1,0,1]=4 1060 B8R1.2 ON=C1CCSCC1 CS-0045803 [0,1,0,1,0,0|1,0,1]=4 1061 B8R1.2 ONC1CCCCC1 CS-0155321 [0,1,0,1,0,0|0,0,0]=2 1062 B8R1.3 CC1CCC(=O)CC1 CS-W013656 [0,1,0,1,0,0|0,0,2]=4 1063 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [0,1,0,1,0,0|0,0,2]=4 1064 B8R1.3 CC1CCC(O)CC1 CS-0059254 [0,1,0,1,0,0|0,0,0]=2 1065 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,1,0,1,0,0|0,0,2]=4 1066 B8R1.3 CN1CCC(Br)CC1 CS-0054167 [0,1,0,1,0,0|1,0,0]=3 1067 B8R1.3 CN1CCC(Cl)CC1 CS-W013387 [0,1,0,1,0,0|1,0,0]=3 1068 B8R1.3 CN1CCC(N)CC1 CS-0151104 [0,1,0,1,0,0|1,0,0]=3 1069 B8R1.3 CN1CCC(N)CC1 CS-W016605 [0,1,0,1,0,0|1,0,0]=3 1070 B8R1.3 CN1CCC(O)CC1 CS-W019412 [0,1,0,1,0,0|0,0,0]=2 1071 B8R1.3 CN1CCN(N)CC1 CS-0071327 [0,1,0,1,0,0|2,0,0]=4 1072 B8R1.3 C[C@@H]1CO[C@H](C)CN1 CS-0158230 [0,1,0,1,0,0|2,0,0]=4 1073 B8R1.3 C[C@H]1CC[C@@H](N)CC1 CS-0170852 [0,1,0,1,0,0|1,0,0]=3 1074 B8R1.3 C[C@H]1CC[C@@H](O)CC1 CS-0180937 [0,1,0,1,0,0|0,0,0]=2 1075 B8R1.3 C[C@H]1CC[C@H](N)CC1 CS-W003376 [0,1,0,1,0,0|1,0,0]=3 1076 B8R1.3 C[C@H]1CC[C@H](N)CC1 CS-W011254 [0,1,0,1,0,0|1,0,0]=3 1077 B8R1.3 C[C@H]1CC[C@H](O)CC1 CS-0180938 [0,1,0,1,0,0|0,0,0]=2 1078 B8R1.3 C[C@H]1CN[C@@H](C)CN1 CS-0048757 [0,1,0,1,0,0|2,0,0]=4 1079 B8R1.3 C[C@H]1CN[C@H](C)CN1 CS-B1271 [0,1,0,1,0,0|2,0,0]=4 1080 B8R1.3 C[C@H]1CO[C@@H](C)CN1 CS-W021076 [0,1,0,1,0,0|2,0,0]=4 1081 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,1,0,1,0,0|0,0,2]=4 1082 B8R1.3 NC1CCC(Br)CC1 CS-0039218 [0,1,0,1,0,0|1,0,0]=3 1083 B8R1.3 NC1CCC(N)CC1 CS-0096883 [0,1,0,1,0,0|1,0,0]=3 1084 B8R1.3 NC1CCC(O)CC1 CS-0127650 [0,1,0,1,0,0|0,0,0]=2 1085 B8R1.3 NC1CCC(O)CC1 CS-W019318 [0,1,0,1,0,0|0,0,0]=2 1086 B8R1.3 NN1CCC(O)CC1 CS-0044231 [0,1,0,1,0,0|1,0,0]=3 1087 B8R1.3 N[C@H]1CC[C@@H](N)CC1 CS-0096882 [0,1,0,1,0,0|1,0,0]=3 1088 B8R1.3 N[C@H]1CC[C@@H](O)CC1 CS-0049680 [0,1,0,1,0,0|0,0,0]=2 1089 B8R1.3 N[C@H]1CC[C@@H](O)CC1 CS-W019682 [0,1,0,1,0,0|0,0,0]=2 1090 B8R1.3 N[C@H]1CC[C@H](N)CC1 CS-W007732 [0,1,0,1,0,0|1,0,0]=3 1091 B8R1.3 N[C@H]1CC[C@H](O)CC1 CS-W019841 [0,1,0,1,0,0|0,0,0]=2 1092 B8R1.3 N[C@H]1CC[C@H](O)CC1 CS-W023031 [0,1,0,1,0,0|0,0,0]=2 1093 B8R1.3 O=C1CCC(O)CC1 CS-D0911 [0,1,0,1,0,0|0,0,1]=3 1094 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,1,0,1,0,0|1,0,1]=4 1095 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,1,0,1,0,0|1,0,1]=4 1096 B8R1.3 OC1CCC(O)CC1 CS-W007850 [0,1,0,1,0,0|0,0,0]=2 1097 B8R1.3 OC1COC(O)CO1 CS-W004661 [0,1,0,1,0,0|2,0,0]=4 1098 B8R1.3 OC1CSC(O)CS1 CS-W018087 [0,1,0,1,0,0|2,0,0]=4 1099 B8R1.3 O[C@H]1CC[C@@H](O)CC1 CS-0049754 [0,1,0,1,0,0|0,0,0]=2 1100 B8R1.3 [C@H]1(O)CC[C@H](O)CC1 CS-W005575 [0,1,0,1,0,0|0,0,0]=2 1101 B8R1.5 CC1CCCCC1N CS-W013646 [0,1,0,1,0,0|1,0,0]=3 1102 B8R1.5 CC1CCCNC1=O CS-0186670 [0,1,0,1,0,0|0,0,2]=4 1103 B8R1.5 CC1CNCCC1=O CS-D0046 [0,1,0,1,0,0|0,0,2]=4 1104 B8R1.5 CC1CNCCC1=O CS-D0300 [0,1,0,1,0,0|0,0,2]=4 1105 B8R1.5 CC1CNCCC1O CS-0051241 [0,1,0,1,0,0|0,0,0]=2 1106 B8R1.5 CC1CNCCN1C CS-W005051 [0,1,0,1,0,0|2,0,0]=4 1107 B8R1.5 CC1COCCC1=O CS-W003860 [0,1,0,1,0,0|0,0,2]=4 1108 B8R1.5 C[C@@H]1CCCC[C@@H]1N CS-0158236 [0,1,0,1,0,0|1,0,0]=3 1109 B8R1.5 C[C@@H]1CNCCN1C CS-0006864 [0,1,0,1,0,0|2,0,0]=4 1110 B8R1.5 C[C@@H]1CNCCN1C CS-0053508 [0,1,0,1,0,0|2,0,0]=4 1111 B8R1.5 C[C@@H]1CNCC[C@H]1O CS-0051211 [0,1,0,1,0,0|0,0,0]=2 1112 B8R1.5 C[C@H]1CCCC[C@H]1N CS-0162390 [0,1,0,1,0,0|1,0,0]=3 1113 B8R1.5 C[C@H]1CNCCN1C CS-0006863 [0,1,0,1,0,0|2,0,0]=4 1114 B8R1.5 C[C@H]1CNCCN1C CS-0053455 [0,1,0,1,0,0|2,0,0]=4 1115 B8R1.5 Cl[C@@H]1CCCC[C@H]1Cl CS-0455908 [0,1,0,1,0,0|1,0,0]=3 1116 B8R1.5 NC1CCCCC1=O CS-0099232 [0,1,0,1,0,0|0,0,2]=4 1117 B8R1.5 NC1CCCCC1N CS-0514846 [0,1,0,1,0,0|1,0,0]=3 1118 B8R1.5 NC1CCCCC1O CS-0128497 [0,1,0,1,0,0|0,0,0]=2 1119 B8R1.5 NC1CCCCC1O CS-0330487 [0,1,0,1,0,0|0,0,0]=2 1120 B8R1.5 NC1CCCN=C1O CS-W005854 [0,1,0,1,0,0|1,0,1]=4 1121 B8R1.5 N[C@@H]1CCCC[C@@H]1O CS-W008418 [0,1,0,1,0,0|0,0,0]=2 1122 B8R1.5 N[C@@H]1CCCC[C@H]1F CS-0038959 [0,1,0,1,0,0|1,0,0]=3 1123 B8R1.5 N[C@@H]1CCCC[C@H]1N CS-0019667 [0,1,0,1,0,0|1,0,0]=3 1124 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0062471 [0,1,0,1,0,0|0,0,0]=2 1125 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0096323 [0,1,0,1,0,0|0,0,0]=2 1126 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-W003455 [0,1,0,1,0,0|0,0,0]=2 1127 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-W005443 [0,1,0,1,0,0|0,0,0]=2 1128 B8R1.5 N[C@@H]1CCOC[C@@H]1F CS-0049705 [0,1,0,1,0,0|2,0,0]=4 1129 B8R1.5 N[C@@H]1CCOC[C@@H]1O CS-0049677 [0,1,0,1,0,0|1,0,0]=3 1130 B8R1.5 N[C@@H]1CCOC[C@H]1O CS-0053238 [0,1,0,1,0,0|1,0,0]=3 1131 B8R1.5 N[C@@H]1COCC[C@H]1O CS-0053305 [0,1,0,1,0,0|1,0,0]=3 1132 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-D0607 [0,1,0,1,0,0|0,0,0]=2 1133 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-W019691 [0,1,0,1,0,0|0,0,0]=2 1134 B8R1.5 N[C@H]1CCCC[C@H]1N CS-M3552 [0,1,0,1,0,0|1,0,0]=3 1135 B8R1.5 N[C@H]1CCCC[C@H]1O CS-0134767 [0,1,0,1,0,0|0,0,0]=2 1136 B8R1.5 N[C@H]1CCCC[C@H]1O CS-W008152 [0,1,0,1,0,0|0,0,0]=2 1137 B8R1.5 N[C@H]1CCOC[C@@H]1F CS-0047782 [0,1,0,1,0,0|2,0,0]=4 1138 B8R1.5 N[C@H]1CCOC[C@@H]1O CS-0029596 [0,1,0,1,0,0|1,0,0]=3 1139 B8R1.5 O=C1CCCCC1Cl CS-W013402 [0,1,0,1,0,0|0,0,2]=4 1140 B8R1.5 O=C1CCCCC1O CS-0262973 [0,1,0,1,0,0|0,0,1]=3 1141 B8R1.5 O=C1NCCCC1O CS-W008630 [0,1,0,1,0,0|1,0,1]=4 1142 B8R1.5 OC1CCCCC1Cl CS-W016535 [0,1,0,1,0,0|0,0,0]=2 1143 B8R1.5 OC1CCCCC1O CS-0155355 [0,1,0,1,0,0|0,0,0]=2 1144 B8R1.5 O[C@@H]1CCCC[C@H]1O CS-W011230 [0,1,0,1,0,0|0,0,0]=2 1145 B8R1.5 O[C@@H]1CNCC[C@H]1F CS-0053301 [0,1,0,1,0,0|1,0,0]=3 1146 B8R1.5 O[C@@H]1CSSC[C@H]1O CS-0157913 [0,1,0,1,0,0|2,0,0]=4 1147 B8R1.5 O[C@H]1CCCC[C@H]1O CS-0059289 [0,1,0,1,0,0|0,0,0]=2 1148 B8R1.5 O[C@H]1CCNC[C@H]1F CS-0058642 [0,1,0,1,0,0|1,0,0]=3 1149 B8R1.5 O[C@H]1CNCC[C@H]1O CS-0049724 [0,1,0,1,0,0|1,0,0]=3 1150 B8R1.22 BrC1=CCCCCC1 CS-0448697 [0,1,0,1,0,0|1,0,1]=4 1151 B8R1.22 BrC1CCCCCC1 CS-0146614 [0,1,0,1,0,0|1,0,0]=3 1152 B8R1.22 CC1CCCNCC1 CS-0199646 [0,1,0,1,0,0|1,0,0]=3 1153 B8R1.22 CN1CCCNCC1 CS-W013631 [0,1,0,1,0,0|2,0,0]=4 1154 B8R1.22 ClC1CCCCCC1 CS-0155300 [0,1,0,1,0,0|1,0,0]=3 1155 B8R1.22 FC1CCCCNC1 CS-0308682 [0,1,0,1,0,0|1,0,0]=3 1156 B8R1.22 NC1CCCCCC1 CS-0071927 [0,1,0,1,0,0|1,0,0]=3 1157 B8R1.22 NC1CCCCNC1 CS-W002928 [0,1,0,1,0,0|1,0,0]=3 1158 B8R1.22 NC1CCCNCC1 CS-0271304 [0,1,0,1,0,0|1,0,0]=3 1159 B8R1.22 N[C@@H]1CCCCNC1 CS-M3616 [0,1,0,1,0,0|1,0,0]=3 1160 B8R1.22 N[C@H]1CCCCNC1 CS-0147270 [0,1,0,1,0,0|1,0,0]=3 1161 B8R1.22 O=C1CCCCCN1 CS-W011258 [0,1,0,1,0,0|0,0,2]=4 1162 B8R1.22 O=C1CCCCNC1 CS-0155246 [0,1,0,1,0,0|0,0,2]=4 1163 B8R1.22 O=C1CCCNCC1 CS-W001845 [0,1,0,1,0,0|0,0,2]=4 1164 B8R1.22 OC1=NCCNCC1 CS-W011246 [0,1,0,1,0,0|1,0,1]=4 1165 B8R1.22 OC1CCCCCC1 CS-W013633 [0,1,0,1,0,0|0,0,0]=2 1166 B8R1.22 OC1CCCCNC1 CS-0475252 [0,1,0,1,0,0|0,0,0]=2 1167 B8R1.22 OC1CCCNCC1 CS-0038201 [0,1,0,1,0,0|0,0,0]=2 1168 B8R1.22 O[C@@H]1CNCCOC1 CS-0311689 [0,1,0,1,0,0|1,0,0]=3 1169 B8R1.22 O[C@H]1CNCCOC1 CS-0340560 [0,1,0,1,0,0|1,0,0]=3 1170 B8R1.22 O[C@H]1CNCCOC1 CS-0641374 [0,1,0,1,0,0|1,0,0]=3 1171 B8R1.38 CCC(N)C1CCC1 CS-0655543 [0,1,0,1,0,0|1,0,0]=3 1172 B8R1.52 C#CC1(O)CCCC1 CS-W011277 [0,1,0,1,0,0|0,0,2]=4 1173 B8R1.52 CC1(CN)OCCO1 CS-0139213 [0,1,0,1,0,0|2,0,0]=4 1174 B8R1.52 CC1(CO)CCCC1 CS-0058058 [0,1,0,1,0,0|2,0,0]=4 1175 B8R1.52 CCC1(O)CCCC1 CS-W013632 [0,1,0,1,0,0|0,0,0]=2 1176 B8R1.52 CC[N+]1(C)CCCC1 CS-0185898 [0,1,0,1,0,0|2,0,0]=4 1177 B8R1.52 CC[N+]1(C)CCCC1 CS-W015752 [0,1,0,1,0,0|2,0,0]=4 1178 B8R1.52 N#CC1(O)CCCC1 CS-0206782 [0,1,0,1,0,0|1,0,1]=4 1179 B8R1.52 NC1(CO)CCCC1 CS-0088069 [0,1,0,1,0,0|2,0,0]=4 1180 B8R1.52 NCC1(O)CCCC1 CS-W003998 [0,1,0,1,0,0|1,0,0]=3 1181 B8R1.52 NCC1(O)CCCC1 CS-W023215 [0,1,0,1,0,0|1,0,0]=3 1182 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [0,1,0,1,0,0|1,0,1]=4 1183 B8R1.7 CC(C)[C@H]1CCNC1 CS-0053334 [0,1,0,1,0,0|2,0,0]=4 1184 B8R1.7 CC(N)C1CCCC1 CS-0052581 [0,1,0,1,0,0|1,0,0]=3 1185 B8R1.7 CC(N)C1CCOC1 CS-0263398 [0,1,0,1,0,0|2,0,0]=4 1186 B8R1.7 CC(O)C1CCCC1 CS-0144924 [0,1,0,1,0,0|1,0,0]=3 1187 B8R1.7 C[C@H](N)C1CCCC1 CS-0135384 [0,1,0,1,0,0|1,0,0]=3 1188 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [0,1,0,1,0,0|1,0,1]=4 1189 B8R1.7 O=C(O)[C@@H]1CCCO1 CS-W004117 [0,1,0,1,0,0|1,0,1]=4 1190 B8R1.7 O=C(O)[C@H]1CCCO1 CS-W005223 [0,1,0,1,0,0|1,0,1]=4 1191 B8R1.19 CC1(C)CCCC1=O CS-0040450 [0,1,0,1,0,0|0,0,2]=4 1192 B8R1.19 CC1(C)CCCC1O CS-0072492 [0,1,0,1,0,0|0,0,0]=2 1193 B8R1.19 C[C@@]1(O)CCC[C@H]1N CS-0105761 [0,1,0,1,0,0|1,0,0]=3 1194 B8R1.19 FC1(F)CCCC1Br CS-0377806 [0,1,0,1,0,0|2,0,0]=4 1195 B8R1.19 NC1CCCC1(F)F CS-0108754 [0,1,0,1,0,0|2,0,0]=4 1196 B8R1.37 CCOC(=N)C1CC1 CS-0122277 [0,1,0,1,0,0|1,0,1]=4 1197 B8R1.54 O=C(O)C(O)C1CC1 CS-0142965 [0,1,0,1,0,0|1,0,1]=4 1198 B8R1.78 O=C(O)C1(O)CCC1 CS-0052945 [0,1,0,1,0,0|1,0,1]=4 1199 B8R1.8 BrCCC1OCCO1 CS-W019935 [0,1,0,1,0,0|1,0,0]=3 1200 B8R1.8 BrCCN1CCCC1 CS-0040578 [0,1,0,1,0,0|2,0,0]=4 1201 B8R1.8 CCCC1=NCCN1 CS-0119918 [0,1,0,1,0,0|1,0,1]=4 1202 B8R1.8 CCO[C@@H]1CCNC1 CS-0053329 [0,1,0,1,0,0|2,0,0]=4 1203 B8R1.8 CNCC1CCCN1 CS-0162490 [0,1,0,1,0,0|1,0,0]=3 1204 B8R1.8 CNCC1CCOC1 CS-0048865 [0,1,0,1,0,0|1,0,0]=3 1205 B8R1.8 CNC[C@@H]1CCCN1 CS-0162015 [0,1,0,1,0,0|1,0,0]=3 1206 B8R1.8 COCC1CCNC1 CS-0058668 [0,1,0,1,0,0|2,0,0]=4 1207 B8R1.8 COC[C@@H]1CCCN1 CS-W002057 [0,1,0,1,0,0|1,0,0]=3 1208 B8R1.8 COC[C@H]1CCCN1 CS-W002305 [0,1,0,1,0,0|1,0,0]=3 1209 B8R1.8 ClCCN1CCCC1 CS-D1148 [0,1,0,1,0,0|2,0,0]=4 1210 B8R1.8 N#CCC1CCCC1 CS-0060786 [0,1,0,1,0,0|1,0,1]=4 1211 B8R1.8 NCCC1CCCC1 CS-W006125 [0,1,0,1,0,0|1,0,0]=3 1212 B8R1.8 NCCN1CCCC1 CS-D1372 [0,1,0,1,0,0|2,0,0]=4 1213 B8R1.8 OCCC1CCCC1 CS-0055010 [0,1,0,1,0,0|1,0,0]=3 1214 B8R1.8 OCCC1CCCO1 CS-0451231 [0,1,0,1,0,0|0,0,0]=2 1215 B8R1.8 OCCC1CCOC1 CS-0240119 [0,1,0,1,0,0|1,0,0]=3 1216 B8R1.8 OCCN1CCOC1 CS-0374348 [0,1,0,1,0,0|2,0,0]=4 1217 B8R1.8 OCC[C@H]1CCCN1 CS-0572825 [0,1,0,1,0,0|1,0,0]=3 1218 B8R1.11 CCC1CCCC1=O CS-0152470 [0,1,0,1,0,0|0,0,1]=3 1219 B8R1.11 CCN1CCCC1=O CS-W013650 [0,1,0,1,0,0|0,0,2]=4 1220 B8R1.11 CN1CCCC1CN CS-0128646 [0,1,0,1,0,0|2,0,0]=4 1221 B8R1.11 CN1CCCC1CO CS-W019511 [0,1,0,1,0,0|1,0,0]=3 1222 B8R1.11 CN1CCC[C@@H]1CN CS-0053069 [0,1,0,1,0,0|2,0,0]=4 1223 B8R1.11 CN1CCC[C@@H]1CO CS-W003381 [0,1,0,1,0,0|1,0,0]=3 1224 B8R1.11 CN1CCC[C@H]1CBr CS-0112933 [0,1,0,1,0,0|2,0,0]=4 1225 B8R1.11 CN1CCC[C@H]1CN CS-0053063 [0,1,0,1,0,0|2,0,0]=4 1226 B8R1.11 CN1CCC[C@H]1CN CS-0128648 [0,1,0,1,0,0|2,0,0]=4 1227 B8R1.11 CN1CCC[C@H]1CO CS-0030792 [0,1,0,1,0,0|1,0,0]=3 1228 B8R1.11 CO[C@@H]1CNC[C@H]1O CS-0047754 [0,1,0,1,0,0|1,0,0]=3 1229 B8R1.11 C[C@H]1CNC[C@@H]1CO CS-0172749 [0,1,0,1,0,0|1,0,0]=3 1230 B8R1.11 N#C[C@@H]1CCC[C@H]1O CS-0160316 [0,1,0,1,0,0|0,0,1]=3 1231 B8R1.11 O=C1CCCC1CO CS-0136671 [0,1,0,1,0,0|0,0,2]=4 1232 B8R1.11 OC[C@H]1OCC[C@@H]1O CS-0089202 [0,1,0,1,0,0|1,0,0]=3 1233 B8R1.66 CCCC1(F)CNC1 CS-0467868 [0,1,0,1,0,0|1,0,0]=3 1234 B8R1.66 CCOC1(C)CNC1 CS-0433396 [0,1,0,1,0,0|2,0,0]=4 1235 B8R1.39 COC(=O)C1(O)CC1 CS-W005559 [0,1,0,1,0,0|1,0,1]=4 1236 B8R1.72 CC1(C)CCNCC1 CS-W005691 [0,1,0,1,0,0|2,0,0]=4 1237 B8R1.72 CC1(F)CCNCC1 CS-0187010 [0,1,0,1,0,0|2,0,0]=4 1238 B8R1.72 CC1(N)CCOCC1 CS-0039635 [0,1,0,1,0,0|2,0,0]=4 1239 B8R1.72 CC1(N)CCOCC1 CS-W018780 [0,1,0,1,0,0|2,0,0]=4 1240 B8R1.72 CC1(O)CCCCC1 CS-W013634 [0,1,0,1,0,0|0,0,0]=2 1241 B8R1.72 CC1(O)CCCNC1 CS-0051242 [0,1,0,1,0,0|1,0,0]=3 1242 B8R1.72 CC1(O)CCCNC1 CS-0183561 [0,1,0,1,0,0|1,0,0]=3 1243 B8R1.72 CC1(O)CCNCC1 CS-B1024 [0,1,0,1,0,0|1,0,0]=3 1244 B8R1.72 CC1(O)CCNCC1 CS-M0531 [0,1,0,1,0,0|1,0,0]=3 1245 B8R1.72 CC1(O)CCNCC1 CS-W004838 [0,1,0,1,0,0|1,0,0]=3 1246 B8R1.72 CC1(O)CCOCC1 CS-W006621 [0,1,0,1,0,0|1,0,0]=3 1247 B8R1.72 C[C@@]1(O)CCCNC1 CS-0184477 [0,1,0,1,0,0|1,0,0]=3 1248 B8R1.72 C[N+]1(C)CCCCC1 CS-W018164 [0,1,0,1,0,0|2,0,0]=4 1249 B8R1.72 FC1(F)CCCNC1 CS-W001579 [0,1,0,1,0,0|2,0,0]=4 1250 B8R1.72 FC1(F)CCNCC1 CS-0028285 [0,1,0,1,0,0|2,0,0]=4 1251 B8R1.72 FC1(F)CCNCC1 CS-W001440 [0,1,0,1,0,0|2,0,0]=4 1252 B8R1.72 N=S1(=O)CCCCC1 CS-0134127 [0,1,0,1,0,0|1,0,1]=4 1253 B8R1.82 CNC1(COC)CC1 CS-0144191 [0,1,0,1,0,0|2,0,0]=4 1254 B8R1.82 N#CCC1(CO)CC1 CS-0044943 [0,1,0,1,0,0|1,0,1]=4 1255 B8R1.60 BrCC1(CBr)CCC1 CS-0309970 [0,1,0,1,0,0|2,0,0]=4 1256 B8R1.60 CCC1(C=O)COC1 CS-0183630 [0,1,0,1,0,0|1,0,1]=4 1257 B8R1.60 CCC1(CO)COC1 CS-W009544 [0,1,0,1,0,0|1,0,0]=3 1258 B8R1.60 NCC1(CO)CCC1 CS-W021055 [0,1,0,1,0,0|1,0,0]=3 1259 B8R1.60 OCC1(CBr)COC1 CS-W019428 [0,1,0,1,0,0|2,0,0]=4 1260 B8R1.60 OCC1(CO)CCC1 CS-D0251 [0,1,0,1,0,0|1,0,0]=3 1261 B8R1.60 OCC1(CO)COC1 CS-0052995 [0,1,0,1,0,0|2,0,0]=4 1262 B8R2.11 NC1C2COCC12 CS-W007149 [0,0,0,2,0,0|2,0,0]=4 1263 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 CS-0035789 [0,0,0,2,0,0|2,0,0]=4 1264 B8R2.34 C1=CC2CCC1C2 CS-W013737 [0,0,0,2,0,0|1,0,1]=4 1265 B8R2.34 C1CC2CC1CN2 CS-0067833 [0,0,0,2,0,0|1,0,0]=3 1266 B8R2.34 C1CC2CCC1N2 CS-W018698 [0,0,0,2,0,0|1,0,0]=3 1267 B8R2.34 C1CN2CCC1C2 CS-0698648 [0,0,0,2,0,0|2,0,0]=4 1268 B8R2.34 C1OC2CNC1C2 CS-0044047 [0,0,0,2,0,0|1,0,0]=3 1269 B8R2.34 C1O[C@@H]2CN[C@H]1C2 CS-W019161 [0,0,0,2,0,0|1,0,0]=3 1270 B8R2.34 C1O[C@H]2CN[C@@H]1C2 CS-0044652 [0,0,0,2,0,0|1,0,0]=3 1271 B8R2.34 [C@H]12CN[C@H](CN1)C2 CS-W010152 [0,0,0,2,0,0|2,0,0]=4 1272 B8R2.55 C1CC2(CC2)CN1 CS-0058662 [0,0,0,2,0,0|2,0,0]=4 1273 B8R2.55 C1CNC2(C1)CC2 CS-0183849 [0,0,0,2,0,0|1,0,0]=3 1274 B8R2.18 O=C1CC2CC2C1 CS-0036289 [0,0,0,2,0,0|0,0,2]=4 1275 B8R2.18 OC1CC2CC2C1 CS-0035529 [0,0,0,2,0,0|0,0,0]=2 1276 B8R2.23 C1NCC2CC1O2 CS-0054897 [0,0,0,2,0,0|1,0,0]=3 1277 B8R2.23 C1OCC2CC1N2 CS-0051232 [0,0,0,2,0,0|2,0,0]=4 1278 B8R2.25 C1CC2OC2CO1 CS-0051589 [0,0,0,2,0,0|1,0,0]=3 1279 B8R2.42 C1CC2(C1)CNC2 CS-0052032 [0,0,0,2,0,0|2,0,0]=4 1280 B8R2.42 C1CC2(C1)CNC2 CS-0112364 [0,0,0,2,0,0|2,0,0]=4 1281 B8R2.42 C1CC2(CNC2)O1 CS-0183415 [0,0,0,2,0,0|1,0,0]=3 1282 B8R2.42 C1CC2(COC2)N1 CS-W018669 [0,0,0,2,0,0|2,0,0]=4