0 B6R0.1 C#CC(=O)NCC CS-0168077 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 C#CC(O)CCC CS-W016658 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.1 C=CC(=O)NCC CS-W013719 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 C=CCC(=O)OC CS-0158011 [0,0,0,0,0,0|0,0,2]=2 4 B6R0.1 CC#CC(=O)OC CS-0066219 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.1 CCC(=O)COC CS-0213932 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.1 CCCC(=O)NN CS-0152447 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 CCCC(Cl)CC CS-0102884 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.1 CCCC(N)C#N CS-0255763 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 CCCC(O)CO CS-0017222 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 CCC[C@H](N)CO CS-M1841 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 CCNC(=O)CBr CS-0239382 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.1 CCOC(=O)C#N CS-0022374 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.1 CCOC(=O)CN CS-W020007 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.1 CCOC(=O)CO CS-W019892 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.1 CCOC(=O)NN CS-W008412 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.1 CCOC(C)CC CS-0196425 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,0,0,0,0,0|4,0,0]=4 19 B6R0.1 CNC(=O)CC#N CS-W018827 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.1 CNC(=O)CCCl CS-0143787 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.1 CNC(=O)CCO CS-0188403 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.1 CNC(C)COC CS-0301311 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.1 CNCC(=O)O[Na] CS-0077129 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.1 COC(=O)C#CBr CS-0043861 [0,0,0,0,0,0|1,0,2]=3 25 B6R0.1 COC(=O)C#CI CS-0513737 [0,0,0,0,0,0|1,0,2]=3 26 B6R0.1 COC(=O)CC#N CS-W016657 [0,0,0,0,0,0|1,0,1]=2 27 B6R0.1 COC(=O)CCBr CS-W008728 [0,0,0,0,0,0|1,0,0]=1 28 B6R0.1 COC(=O)CCCl CS-0131786 [0,0,0,0,0,0|1,0,0]=1 29 B6R0.1 COC(=O)CCI CS-0615889 [0,0,0,0,0,0|1,0,0]=1 30 B6R0.1 COC(=O)CCN CS-W007648 [0,0,0,0,0,0|1,0,0]=1 31 B6R0.1 COC(=O)CCO CS-0022864 [0,0,0,0,0,0|1,0,0]=1 32 B6R0.1 COC(=O)CCS CS-0000049 [0,0,0,0,0,0|1,0,0]=1 33 B6R0.1 COC(=O)OCCl CS-0067504 [0,0,0,0,0,0|2,0,0]=2 34 B6R0.1 COC(=O)\C=C/I CS-0150951 [0,0,0,0,0,0|1,0,2]=3 35 B6R0.1 COC(=O)\C=C\I CS-0042162 [0,0,0,0,0,0|1,0,2]=3 36 B6R0.1 COC(C)CCO CS-W013686 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.1 COCC(=O)NN CS-W005634 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.1 N#CCC(=O)NN CS-4488 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.1 N#CCC(=O)O[Na] CS-0187634 [0,0,0,0,0,0|2,0,1]=3 40 B6R0.1 NNC(=O)CCS CS-0513962 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.1 O=C(CCl)NCO CS-0147071 [0,0,0,0,0,0|4,0,0]=4 42 B5R0.1 C#CCC(=O)O CS-W004784 [1,0,0,0,0,0|0,0,2]=3 43 B5R0.1 C=CCC(=O)O CS-0069849 [1,0,0,0,0,0|0,0,2]=3 44 B5R0.1 CC#CC(=O)O CS-W007936 [1,0,0,0,0,0|0,0,2]=3 45 B5R0.1 CC(=O)CCCl CS-W022162 [1,0,0,0,0,0|1,0,0]=2 46 B5R0.1 CC(=O)CCN CS-0209803 [1,0,0,0,0,0|1,0,0]=2 47 B5R0.1 CC(=O)NCO CS-0061075 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 CC(=O)OCBr CS-0090812 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 CC(=O)OCCl CS-0139458 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 CC(C)=CCCl CS-0204351 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 CC(C)=CCN CS-0236946 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 CC(C)=CCO CS-W013751 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 CC(N)CCO CS-W004841 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 CC(O)CCBr CS-0142519 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.1 CC(O)CCO CS-0115644 [1,0,0,0,0,0|1,0,2]=4 56 B5R0.1 CCCB(O)O CS-W007470 [1,0,0,0,0,0|1,0,1]=3 57 B5R0.1 CCCC(=N)N CS-W013544 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.1 CCCC(=O)O CS-0977378 [1,0,0,0,0,0|0,0,0]=1 59 B5R0.1 CCCC(N)=O CS-0130522 [1,0,0,0,0,0|1,0,0]=2 60 B5R0.1 CCC[C@@H](C)N CS-0162182 [1,0,0,0,0,0|1,0,1]=3 61 B5R0.1 CCC[C@H](C)N CS-W006528 [1,0,0,0,0,0|1,0,1]=3 62 B5R0.1 CCNC(N)=O CS-W011351 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.1 CCNC(N)=S CS-0180914 [1,0,0,0,0,0|2,1,0]=4 64 B5R0.1 CCOC(=N)N CS-W019160 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 CCOC(C)=N CS-W008601 [1,0,0,0,0,0|2,0,0]=3 66 B5R0.1 CCOC(N)=O CS-4731 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.1 CCSC(=N)N CS-0021039 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.1 CN(C)CCBr CS-W004693 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.1 CNCC(=O)O CS-W013507 [1,0,0,0,0,0|1,0,0]=2 70 B5R0.1 CNCC(=O)O CS-W018511 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.1 CNCC(C)O CS-0216704 [1,0,0,0,0,0|1,0,2]=4 72 B5R0.1 CNCC(N)=O CS-W011178 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 COCC(=N)N CS-W003564 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.1 COCC(=O)O CS-W020123 [1,0,0,0,0,0|1,0,0]=2 75 B5R0.1 COC[C@@H](C)N CS-W019198 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.1 COC[C@H](C)N CS-0148795 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.1 COC[C@H](C)O CS-0031378 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.1 CSCC(=O)O CS-0015159 [1,0,0,0,0,0|1,0,0]=2 79 B5R0.1 CSCC(N)=O CS-0150088 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.1 CSCS(C)=O CS-0146450 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.1 C[C@@H](N)CCO CS-W013746 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.1 C[C@@H](O)CCO CS-M1638 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.1 C[C@H](N)CCO CS-W019851 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.1 C[C@H](O)CCO CS-W016671 [1,0,0,0,0,0|1,0,2]=4 85 B5R0.1 C\C=C\C(=O)O CS-0017976 [1,0,0,0,0,0|0,0,2]=3 86 B5R0.1 C\C=C\C(C)=O CS-0022376 [1,0,0,0,0,0|0,0,2]=3 87 B5R0.1 C\C=C\C(C)=O CS-0513711 [1,0,0,0,0,0|0,0,2]=3 88 B5R0.1 N#CCC(=O)[O-] CS-0162555 [1,0,0,0,0,0|1,0,2]=4 89 B5R0.1 N=C(O)CCN CS-W007497 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.1 NC(=O)CCBr CS-0046169 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.1 NC(=O)CCCl CS-0204808 [1,0,0,0,0,0|2,0,0]=3 92 B5R0.1 NC(=O)CCO CS-0205185 [1,0,0,0,0,0|2,0,0]=3 93 B5R0.1 NCCC(=O)O CS-0668359 [1,0,0,0,0,0|1,0,0]=2 94 B5R0.1 NCCC(=O)O CS-W020126 [1,0,0,0,0,0|1,0,0]=2 95 B5R0.1 NCCS(=O)O CS-6985 [1,0,0,0,0,0|2,0,0]=3 96 B5R0.1 NOCC(=O)O CS-8158 [1,0,0,0,0,0|2,0,0]=3 97 B5R0.1 O=C(O)CCF CS-0038385 [1,0,0,0,0,0|1,0,0]=2 98 B5R0.1 O=C(O)CCI CS-0204563 [1,0,0,0,0,0|1,0,0]=2 99 B5R0.1 O=C(O)CCO CS-0147832 [1,0,0,0,0,0|1,0,0]=2 100 B5R0.1 O=C(O)\C=C/Cl CS-0196837 [1,0,0,0,0,0|1,0,2]=4 101 B5R0.1 O=C(O)\C=C/I CS-0668652 [1,0,0,0,0,0|1,0,2]=4 102 B5R0.1 O=C(O)\C=C\Br CS-0063842 [1,0,0,0,0,0|1,0,2]=4 103 B5R0.1 O=C(O)\C=C\I CS-0092724 [1,0,0,0,0,0|1,0,2]=4 104 B5R0.1 O=[N+]([O-])CCO CS-W013741 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.2 CCCCON CS-0106180 [1,0,0,0,0,0|1,0,1]=3 106 B5R0.2 CCNCCO CS-0076051 [1,0,0,0,0,0|3,0,0]=4 107 B5R0.2 CCSCCN CS-0663845 [1,0,0,0,0,0|3,0,0]=4 108 B5R0.2 CC\C=C\C=O CS-0173472 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.2 CNCCCCl CS-0150991 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.2 CNCCCO CS-W007469 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.2 COCCC#N CS-0030563 [1,0,0,0,0,0|1,0,2]=4 112 B5R0.2 COCCCBr CS-W010945 [1,0,0,0,0,0|1,0,1]=3 113 B5R0.2 COCCNN CS-0249520 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.2 CSCCCO CS-0015993 [1,0,0,0,0,0|1,1,1]=4 115 B5R0.2 C\C=C\CCO CS-0162245 [1,0,0,0,0,0|2,0,0]=3 116 B5R0.3 C#CC(=O)NC CS-0202683 [1,0,0,0,0,0|1,0,2]=4 117 B5R0.3 C#CC(=O)O[Na] CS-0620485 [1,0,0,0,0,0|1,0,2]=4 118 B5R0.3 C=CC(=O)NC CS-0134564 [1,0,0,0,0,0|1,0,2]=4 119 B5R0.3 C=CC(=O)O[K] CS-0196459 [1,0,0,0,0,0|1,0,2]=4 120 B5R0.3 CCC(=N)NO CS-D0340 [1,0,0,0,0,0|3,0,0]=4 121 B5R0.3 CCC(=O)CBr CS-0131119 [1,0,0,0,0,0|2,0,0]=3 122 B5R0.3 CCC(=O)CN CS-W005374 [1,0,0,0,0,0|2,0,0]=3 123 B5R0.3 CCC(=O)CO CS-W005327 [1,0,0,0,0,0|2,0,0]=3 124 B5R0.3 CCC(=O)NC CS-0179730 [1,0,0,0,0,0|1,0,0]=2 125 B5R0.3 CCC(=O)NN CS-0206618 [1,0,0,0,0,0|2,0,0]=3 126 B5R0.3 CCC(=O)O[K] CS-0019431 [1,0,0,0,0,0|1,0,0]=2 127 B5R0.3 CCC(=O)O[Na] CS-0013802 [1,0,0,0,0,0|1,0,0]=2 128 B5R0.3 CCC(Br)CC CS-0015742 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.3 CCC(N)CC CS-0128806 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.3 CCC(O)CC CS-0128838 [1,0,0,0,0,0|1,0,2]=4 131 B5R0.3 CCS(=O)CC CS-0199213 [1,0,0,0,0,0|2,0,0]=3 132 B5R0.3 CCS(=O)O[Na] CS-0020098 [1,0,0,0,0,0|2,0,0]=3 133 B5R0.3 CNC(=O)CBr CS-0023001 [1,0,0,0,0,0|2,0,0]=3 134 B5R0.3 CNC(=O)CCl CS-W007769 [1,0,0,0,0,0|2,0,0]=3 135 B5R0.3 CNC(=O)CI CS-0244983 [1,0,0,0,0,0|2,0,0]=3 136 B5R0.3 CNC(=O)CN CS-0008246 [1,0,0,0,0,0|2,0,0]=3 137 B5R0.3 CNC(=O)CN CS-0130384 [1,0,0,0,0,0|2,0,0]=3 138 B5R0.3 CNC(=S)NC CS-0071975 [1,0,0,0,0,0|2,1,0]=4 139 B5R0.3 COC(=N)CCl CS-0150960 [1,0,0,0,0,0|2,0,0]=3 140 B5R0.3 COC(=O)CI CS-0235696 [1,0,0,0,0,0|1,0,0]=2 141 B5R0.3 COC(=O)CN CS-W018508 [1,0,0,0,0,0|1,0,0]=2 142 B5R0.3 COC(=O)CO CS-W004068 [1,0,0,0,0,0|1,0,0]=2 143 B5R0.3 COC(=O)NN CS-0015902 [1,0,0,0,0,0|2,0,0]=3 144 B5R0.3 COC(=O)SCl CS-0313613 [1,0,0,0,0,0|2,0,0]=3 145 B5R0.3 COS(=O)OC CS-0230894 [1,0,0,0,0,0|2,0,0]=3 146 B5R0.3 CO[C@@H](C)CN CS-W021167 [1,0,0,0,0,0|2,0,1]=4 147 B5R0.3 CO[C@@H](C)CO CS-0096324 [1,0,0,0,0,0|2,0,1]=4 148 B5R0.3 CO[C@H](C)CN CS-0148788 [1,0,0,0,0,0|2,0,1]=4 149 B5R0.3 CO[C@H](C)CN CS-0613352 [1,0,0,0,0,0|2,0,1]=4 150 B5R0.3 CO[C@H](C)CO CS-W011349 [1,0,0,0,0,0|2,0,1]=4 151 B5R0.3 NCC(=O)O[Na] CS-W016662 [1,0,0,0,0,0|2,0,0]=3 152 B5R0.3 NNC(=O)CCl CS-0199719 [1,0,0,0,0,0|3,0,0]=4 153 B5R0.3 NNC(=O)CO CS-W006527 [1,0,0,0,0,0|3,0,0]=4 154 B5R0.3 O=C(CBr)CBr CS-W020932 [1,0,0,0,0,0|3,0,0]=4 155 B5R0.3 O=C(CI)O[Na] CS-0014819 [1,0,0,0,0,0|2,0,0]=3 156 B5R0.3 O=C(CO)CO CS-W019614 [1,0,0,0,0,0|3,0,0]=4 157 B5R0.3 O=C(CS)O[Na] CS-0197966 [1,0,0,0,0,0|2,0,0]=3 158 B5R0.3 O=C(OO)[Ag][Ag] CS-0015156 [1,0,0,0,0,0|3,0,0]=4 159 B5R0.3 O=S(CO)O[Na] CS-0046582 [1,0,0,0,0,0|3,0,0]=4 160 B7R0.2 C=CC(=O)NC(C)C CS-0891513 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.2 C=CC(=O)NC(C)C CS-W011259 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.2 CC(C)CC(=O)NN CS-0343165 [0,1,0,0,0,0|2,0,0]=3 163 B7R0.2 CC(C)NC(=O)CCl CS-0128417 [0,1,0,0,0,0|3,0,0]=4 164 B7R0.2 CC(C)OC(=O)CN CS-0154172 [0,1,0,0,0,0|3,0,0]=4 165 B7R0.2 CC(O)CC(=O)O[Na] CS-W011168 [0,1,0,0,0,0|1,0,0]=2 166 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,1,0,0,0,0|1,0,1]=3 167 B7R0.2 CCC(C)CC(C)N CS-W016309 [0,1,0,0,0,0|2,0,1]=4 168 B7R0.2 CN(C)CC(=O)NN CS-0199445 [0,1,0,0,0,0|3,0,0]=4 169 B7R0.2 CN(C)CC(=O)NN CS-0206604 [0,1,0,0,0,0|3,0,0]=4 170 B7R0.2 CNC(=O)CC(=O)O CS-0139438 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.2 COC(=O)CC(=O)O CS-W007829 [0,1,0,0,0,0|1,0,1]=3 172 B7R0.2 COC(=O)CC(C)N CS-0147336 [0,1,0,0,0,0|0,0,0]=1 173 B7R0.2 COC(=O)CC(N)=O CS-W022821 [0,1,0,0,0,0|1,0,1]=3 174 B7R0.2 COC(=O)C[C@@H](C)N CS-0003933 [0,1,0,0,0,0|0,0,0]=1 175 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [0,1,0,0,0,0|0,0,0]=1 176 B7R0.2 COC(=O)C[C@H](C)N CS-0147334 [0,1,0,0,0,0|0,0,0]=1 177 B7R0.2 COC(=O)C[N+](=O)[O-] CS-0130670 [0,1,0,0,0,0|2,0,0]=3 178 B7R0.2 COC(=O)\C=C(\C)N CS-W016602 [0,1,0,0,0,0|0,0,2]=3 179 B7R0.2 C[C@@H](O)CC(=O)O[Na] CS-W016567 [0,1,0,0,0,0|1,0,0]=2 180 B7R0.2 [C@@H](C)(O)CC(=O)OC CS-W013601 [0,1,0,0,0,0|0,0,0]=1 181 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [0,1,0,0,0,0|0,0,0]=1 182 B7R0.3 C#CCCC(=O)OC CS-0137200 [0,1,0,0,0,0|0,0,1]=2 183 B7R0.3 C=CC(=O)NCCN CS-0128084 [0,1,0,0,0,0|2,0,1]=4 184 B7R0.3 C=CC(=O)OCCBr CS-0106645 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.3 C=CC(=O)OCCO CS-W013616 [0,1,0,0,0,0|2,0,1]=4 186 B7R0.3 C=CCCC(=O)OC CS-0187527 [0,1,0,0,0,0|0,0,1]=2 187 B7R0.3 C=CCOC(=O)OC CS-0040098 [0,1,0,0,0,0|0,0,2]=3 188 B7R0.3 C=C\C=C\C(=O)OC CS-0207613 [0,1,0,0,0,0|0,0,3]=4 189 B7R0.3 C=C\C=C\C(=O)OC CS-0626198 [0,1,0,0,0,0|0,0,3]=4 190 B7R0.3 CCCCC(=O)O[Na] CS-W007087 [0,1,0,0,0,0|1,0,0]=2 191 B7R0.3 CCCC\C(O)=N\N CS-W013606 [0,1,0,0,0,0|2,0,1]=4 192 B7R0.3 CCCNC(=O)CCl CS-0074801 [0,1,0,0,0,0|2,0,0]=3 193 B7R0.3 CCCOC(=O)OC CS-0111112 [0,1,0,0,0,0|0,0,0]=1 194 B7R0.3 CNCCC(=O)OC CS-0150994 [0,1,0,0,0,0|0,0,0]=1 195 B7R0.3 COC(=O)C#CCO CS-0029743 [0,1,0,0,0,0|0,0,2]=3 196 B7R0.3 COC(=O)CCC#N CS-W009546 [0,1,0,0,0,0|0,0,1]=2 197 B7R0.3 COC(=O)CCCBr CS-W004701 [0,1,0,0,0,0|0,0,0]=1 198 B7R0.3 COC(=O)CCCCl CS-0001466 [0,1,0,0,0,0|0,0,0]=1 199 B7R0.3 COC(=O)CCCI CS-0001467 [0,1,0,0,0,0|0,0,0]=1 200 B7R0.3 COC(=O)CCCN CS-W019991 [0,1,0,0,0,0|0,0,0]=1 201 B7R0.3 COC(=O)CCSC CS-0128902 [0,1,0,0,0,0|0,0,0]=1 202 B7R0.3 COC(=O)CNC=O CS-0187476 [0,1,0,0,0,0|1,0,1]=3 203 B7R0.3 COC(=O)\C=C\CBr CS-0146524 [0,1,0,0,0,0|0,0,2]=3 204 B7R0.3 COC(=O)\C=C\CBr CS-W008761 [0,1,0,0,0,0|0,0,2]=3 205 B7R0.3 COC(=O)\C=C\CN CS-0187948 [0,1,0,0,0,0|0,0,2]=3 206 B7R0.3 COCCC(=O)OC CS-0072438 [0,1,0,0,0,0|0,0,0]=1 207 B7R0.3 CO\C=C\C(=O)OC CS-0076974 [0,1,0,0,0,0|0,0,2]=3 208 B7R0.3 CO\C=C\C(=O)OC CS-W007972 [0,1,0,0,0,0|0,0,2]=3 209 B7R0.3 NCCNC(=O)CCl CS-0697880 [0,1,0,0,0,0|3,0,0]=4 210 B7R0.3 O=C(CNCO)O[Na] CS-W019206 [0,1,0,0,0,0|2,0,0]=3 211 B7R0.5 CC(C)C(=O)CC#N CS-0044094 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.5 CCCC(=O)C(C)=O CS-0258819 [0,1,0,0,0,0|1,0,0]=2 213 B7R0.5 CCOC(=O)C(=N)N CS-0151910 [0,1,0,0,0,0|3,0,0]=4 214 B7R0.5 CCOC(=O)C(=O)O CS-W018770 [0,1,0,0,0,0|3,0,0]=4 215 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [0,1,0,0,0,0|3,0,0]=4 216 B7R0.5 CCOC(=O)C(C)=O CS-0017821 [0,1,0,0,0,0|2,0,0]=3 217 B7R0.5 CCOC(=O)C(C)N CS-0151889 [0,1,0,0,0,0|2,0,0]=3 218 B7R0.5 CCOC(=O)C(F)Br CS-0198023 [0,1,0,0,0,0|3,0,0]=4 219 B7R0.5 CCOC(=O)C(F)Cl CS-0434923 [0,1,0,0,0,0|3,0,0]=4 220 B7R0.5 CCOC(=O)C(N)=O CS-0008213 [0,1,0,0,0,0|3,0,0]=4 221 B7R0.5 CCOC(=O)C(N)=S CS-M2164 [0,1,0,0,0,0|3,0,0]=4 222 B7R0.5 CCOC(=O)[C@H](C)F CS-0670914 [0,1,0,0,0,0|2,0,0]=3 223 B7R0.5 CCOC(=O)[C@H](C)N CS-0009409 [0,1,0,0,0,0|2,0,0]=3 224 B7R0.5 CN(C)C(=O)CC#N CS-W013659 [0,1,0,0,0,0|2,0,1]=4 225 B7R0.5 COCC(=O)N(C)C CS-0356748 [0,1,0,0,0,0|2,0,0]=3 226 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [0,1,0,0,0,0|2,0,0]=3 227 B7R0.7 C#CCC(=O)OCC CS-0667023 [0,1,0,0,0,0|0,0,2]=3 228 B7R0.7 C=C=CC(=O)OCC CS-0204496 [0,1,0,0,0,0|0,0,3]=4 229 B7R0.7 C=CCC(=O)OCC CS-0147250 [0,1,0,0,0,0|0,0,2]=3 230 B7R0.7 CC#CC(=O)OCC CS-W009547 [0,1,0,0,0,0|0,0,2]=3 231 B7R0.7 CCCC(Br)CCC CS-0106173 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.7 CCCC(O)CCC CS-0132313 [0,1,0,0,0,0|1,0,2]=4 233 B7R0.7 CCC[C@H](N)CCO CS-0152589 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.7 CCNC(=O)CC#N CS-0141694 [0,1,0,0,0,0|2,0,1]=4 235 B7R0.7 CCNC(=O)CCCl CS-0151980 [0,1,0,0,0,0|2,0,0]=3 236 B7R0.7 CCNC(=S)NCC CS-0076442 [0,1,0,0,0,0|2,1,0]=4 237 B7R0.7 CCOC(=O)C#CBr CS-W022671 [0,1,0,0,0,0|1,0,2]=4 238 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,1,0,0,0,0|1,0,0]=2 239 B7R0.7 CCOC(=O)CCI CS-W002223 [0,1,0,0,0,0|1,0,0]=2 240 B7R0.7 CCOC(=O)CCN CS-W019943 [0,1,0,0,0,0|1,0,0]=2 241 B7R0.7 CCOC(=O)CCO CS-0139545 [0,1,0,0,0,0|1,0,0]=2 242 B7R0.7 CCOC(=O)CNC CS-W020595 [0,1,0,0,0,0|1,0,0]=2 243 B7R0.7 CCOC(=O)CNN CS-W002085 [0,1,0,0,0,0|2,0,0]=3 244 B7R0.7 CCOC(=O)COC CS-0008463 [0,1,0,0,0,0|1,0,0]=2 245 B7R0.7 CCOC(=O)CSC CS-0133049 [0,1,0,0,0,0|1,0,0]=2 246 B7R0.7 CCOC(=O)OCCl CS-W005334 [0,1,0,0,0,0|1,0,0]=2 247 B7R0.7 CC\N=C(/O)NCC CS-W013607 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.7 COCC(=O)COC CS-W007070 [0,1,0,0,0,0|1,0,0]=2 249 B7R0.7 COCC(N)COC CS-W005488 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.7 COCC(O)COC CS-W018661 [0,1,0,0,0,0|1,0,2]=4 251 B7R0.7 O=C(CCCl)CCCl CS-W004439 [0,1,0,0,0,0|2,0,0]=3 252 B7R0.10 C=C(CO)C(=O)OC CS-W019505 [0,1,0,0,0,0|1,0,1]=3 253 B7R0.10 CCC(=O)C(=O)CC CS-W013639 [0,1,0,0,0,0|1,0,1]=3 254 B7R0.10 CCC(=O)C(=O)O[Na] CS-W005355 [0,1,0,0,0,0|1,0,1]=3 255 B7R0.10 CCC(=O)N(C)OC CS-0122993 [0,1,0,0,0,0|2,0,1]=4 256 B7R0.10 CCC(N)C(=O)OC CS-W018067 [0,1,0,0,0,0|0,0,0]=1 257 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [0,1,0,0,0,0|0,0,0]=1 258 B7R0.10 CC[C@@H](O)C(=O)OC CS-0099841 [0,1,0,0,0,0|0,0,0]=1 259 B7R0.10 CC[C@H](N)C(=O)OC CS-0031391 [0,1,0,0,0,0|0,0,0]=1 260 B7R0.10 CC[C@H](O)C(=O)OC CS-0138542 [0,1,0,0,0,0|0,0,0]=1 261 B7R0.10 CN[C@@H](C)C(=O)OC CS-0068182 [0,1,0,0,0,0|1,0,0]=2 262 B7R0.10 COC(=O)C(=O)CBr CS-W008779 [0,1,0,0,0,0|1,0,1]=3 263 B7R0.10 COC(=O)C(=O)NN CS-0265222 [0,1,0,0,0,0|2,0,1]=4 264 B7R0.10 COC(=O)C(=O)O[K] CS-0150929 [0,1,0,0,0,0|2,0,1]=4 265 B7R0.10 COC(=O)C(Br)CO CS-0187469 [0,1,0,0,0,0|1,0,0]=2 266 B7R0.10 COC(=O)C(C)CN CS-0253549 [0,1,0,0,0,0|1,0,0]=2 267 B7R0.10 COC(=O)C(C)CO CS-0697290 [0,1,0,0,0,0|1,0,0]=2 268 B7R0.10 COC(=O)C(Cl)OC CS-0698983 [0,1,0,0,0,0|1,0,0]=2 269 B7R0.10 COC(=O)C(N)CO CS-W014338 [0,1,0,0,0,0|1,0,0]=2 270 B7R0.10 COC(=O)C(N)CS CS-0150913 [0,1,0,0,0,0|1,0,0]=2 271 B7R0.10 COC(=O)C(O)CN CS-0042395 [0,1,0,0,0,0|1,0,0]=2 272 B7R0.10 COC(=O)C(O)CO CS-0454216 [0,1,0,0,0,0|1,0,0]=2 273 B7R0.10 COC(=O)[C@@H](C)CBr CS-0130400 [0,1,0,0,0,0|1,0,0]=2 274 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [0,1,0,0,0,0|1,0,0]=2 275 B7R0.10 COC(=O)[C@@H](N)CO CS-B1301 [0,1,0,0,0,0|1,0,0]=2 276 B7R0.10 COC(=O)[C@@H](N)CS CS-4557 [0,1,0,0,0,0|1,0,0]=2 277 B7R0.10 COC(=O)[C@@H](O)CN CS-0131698 [0,1,0,0,0,0|1,0,0]=2 278 B7R0.10 COC(=O)[C@@H](O)CO CS-W000794 [0,1,0,0,0,0|1,0,0]=2 279 B7R0.10 COC(=O)[C@H](C)CBr CS-0158189 [0,1,0,0,0,0|1,0,0]=2 280 B7R0.10 COC(=O)[C@H](C)CO CS-0019967 [0,1,0,0,0,0|1,0,0]=2 281 B7R0.10 COC(=O)[C@H](N)CCl CS-W017536 [0,1,0,0,0,0|1,0,0]=2 282 B7R0.10 COC(=O)[C@H](N)CS CS-W020211 [0,1,0,0,0,0|1,0,0]=2 283 B7R0.10 COC(=O)[C@H](O)CO CS-W023221 [0,1,0,0,0,0|1,0,0]=2 284 B7R0.10 COC(C)C(=O)NN CS-0278862 [0,1,0,0,0,0|3,0,0]=4 285 B7R0.10 NC(CO)C(=O)NO CS-0142371 [0,1,0,0,0,0|3,0,0]=4 286 B7R0.10 NNC(=O)C(N)CO CS-0149906 [0,1,0,0,0,0|3,0,0]=4 287 B7R0.10 [C@@H](N)(CO)C(=O)OC CS-W016249 [0,1,0,0,0,0|1,0,0]=2 288 B7R0.11 CCCS(=O)(=O)O[Na] CS-0148667 [0,1,0,0,0,0|2,0,0]=3 289 B7R0.11 CCOS(=O)(=O)CC CS-0044478 [0,1,0,0,0,0|3,0,0]=4 290 B7R0.11 COC(C)(C)CCN CS-0540694 [0,1,0,0,0,0|2,0,1]=4 291 B7R0.11 COC(C)(C)CCO CS-0132453 [0,1,0,0,0,0|2,0,1]=4 292 B7R0.11 O=S(=O)(CCBr)O[Na] CS-W015071 [0,1,0,0,0,0|3,0,0]=4 293 B7R0.11 O=S(=O)(CCO)O[Na] CS-0017163 [0,1,0,0,0,0|3,0,0]=4 294 B7R0.12 COC(CCBr)OC CS-W023200 [0,1,0,0,0,0|1,0,2]=4 295 B7R0.12 COCC(OC)OC CS-0150200 [0,1,0,0,0,0|1,0,2]=4 296 B7R1.1 CCC1CCCN1 CS-0454761 [0,0,0,1,0,0|2,0,1]=4 297 B7R1.1 CC[C@H]1CCCN1 CS-0197308 [0,0,0,1,0,0|2,0,1]=4 298 B7R1.1 COC1=NCCC1 CS-W022401 [0,0,0,1,0,0|1,0,0]=2 299 B7R1.1 COC1CCNC1 CS-0039937 [0,0,0,1,0,0|2,0,1]=4 300 B7R1.1 COC1CCNC1 CS-W004880 [0,0,0,1,0,0|2,0,1]=4 301 B7R1.1 CO[C@@H]1CCNC1 CS-0053757 [0,0,0,1,0,0|2,0,1]=4 302 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,0,0,1,0,0|2,0,1]=4 303 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,0,0,1,0,0|2,0,1]=4 304 B7R1.1 CSC1=NCCN1 CS-W010263 [0,0,0,1,0,0|2,1,0]=4 305 B7R1.1 ON=C1CCCC1 CS-W013717 [0,0,0,1,0,0|3,0,0]=4 306 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [0,0,0,1,0,0|1,0,2]=4 307 B7R1.2 CC1=NOC(=O)O1 CS-0460220 [0,0,0,1,0,0|2,0,1]=4 308 B7R1.2 CC1C=CC(=O)O1 CS-0152699 [0,0,0,1,0,0|2,0,1]=4 309 B7R1.2 CC1CCC(=O)O1 CS-W016654 [0,0,0,1,0,0|2,0,0]=3 310 B7R1.2 CC1CNC(=O)C1 CS-0040667 [0,0,0,1,0,0|1,0,0]=2 311 B7R1.2 CC1COC(=O)N1 CS-0181060 [0,0,0,1,0,0|1,0,0]=2 312 B7R1.2 CN1CCC(=O)C1 CS-0172438 [0,0,0,1,0,0|2,0,0]=3 313 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [0,0,0,1,0,0|2,0,0]=3 314 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [0,0,0,1,0,0|2,0,0]=3 315 B7R1.2 C[C@@H]1COC(=O)N1 CS-0158229 [0,0,0,1,0,0|1,0,0]=2 316 B7R1.2 C[C@@H]1COC(=O)O1 CS-0015926 [0,0,0,1,0,0|1,0,0]=2 317 B7R1.2 C[C@@H]1CSC(=S)N1 CS-0634153 [0,0,0,1,0,0|1,2,0]=4 318 B7R1.2 C[C@H]1CC(=O)CN1 CS-0567258 [0,0,0,1,0,0|2,0,0]=3 319 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,0,0,1,0,0|2,0,0]=3 320 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [0,0,0,1,0,0|1,0,0]=2 321 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [0,0,0,1,0,0|1,0,0]=2 322 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [0,0,0,1,0,0|1,0,0]=2 323 B7R1.2 C[C@H]1CSC(=S)N1 CS-0643969 [0,0,0,1,0,0|1,2,0]=4 324 B7R1.2 NC1CNC(=O)C1 CS-W023257 [0,0,0,1,0,0|2,0,0]=3 325 B7R1.2 N[C@@H]1CNC(=O)C1 CS-W003954 [0,0,0,1,0,0|2,0,0]=3 326 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,0,0,1,0,0|1,0,0]=2 327 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,0,0,1,0,0|1,0,0]=2 328 B7R1.2 O=C1C=CC(O)C1 CS-0139552 [0,0,0,1,0,0|2,0,1]=4 329 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,0,0,1,0,0|2,0,0]=3 330 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,0,0,1,0,0|2,0,1]=4 331 B7R1.2 O=C1CCC(O)C1 CS-0051334 [0,0,0,1,0,0|2,0,0]=3 332 B7R1.2 O=C1CNC(=O)C1 CS-0048723 [0,0,0,1,0,0|2,0,1]=4 333 B7R1.2 O=C1COC(=O)C1 CS-W016655 [0,0,0,1,0,0|1,0,1]=3 334 B7R1.2 O=C1COC(=O)N1 CS-0005564 [0,0,0,1,0,0|2,0,1]=4 335 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,0,0,1,0,0|2,0,0]=3 336 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [0,0,0,1,0,0|2,0,0]=3 337 B7R1.2 O=C1OCC(Cl)O1 CS-0046028 [0,0,0,1,0,0|2,0,0]=3 338 B7R1.2 O=C1OCC(F)O1 CS-0155468 [0,0,0,1,0,0|2,0,0]=3 339 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [0,0,0,1,0,0|1,0,0]=2 340 B7R1.3 BrC1=CCCCC1 CS-0155410 [0,0,0,1,0,0|2,0,0]=3 341 B7R1.3 BrC1=CCOCC1 CS-0069635 [0,0,0,1,0,0|3,0,0]=4 342 B7R1.3 BrC1CCCCC1 CS-W017925 [0,0,0,1,0,0|2,0,1]=4 343 B7R1.3 C=C1CCNCC1 CS-D0508 [0,0,0,1,0,0|3,0,0]=4 344 B7R1.3 CC1=CCCNC1 CS-0050445 [0,0,0,1,0,0|3,0,0]=4 345 B7R1.3 CC1=CCNCC1 CS-W004399 [0,0,0,1,0,0|3,0,0]=4 346 B7R1.3 CC1=NCCCO1 CS-1006941 [0,0,0,1,0,0|2,0,0]=3 347 B7R1.3 CC1CCOCO1 CS-0181838 [0,0,0,1,0,0|2,0,1]=4 348 B7R1.3 CC1CNCCO1 CS-0152670 [0,0,0,1,0,0|2,0,1]=4 349 B7R1.3 CC1CNCCO1 CS-D1584 [0,0,0,1,0,0|2,0,1]=4 350 B7R1.3 C[C@@H]1CCCCN1 CS-W019137 [0,0,0,1,0,0|2,0,1]=4 351 B7R1.3 C[C@@H]1CNCCO1 CS-0019313 [0,0,0,1,0,0|2,0,1]=4 352 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,0,0,1,0,0|2,0,1]=4 353 B7R1.3 C[C@H]1CCCCN1 CS-0145867 [0,0,0,1,0,0|2,0,1]=4 354 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,0,0,1,0,0|2,0,1]=4 355 B7R1.3 ClC1CCCCC1 CS-0198086 [0,0,0,1,0,0|2,0,1]=4 356 B7R1.3 IC1CCCCC1 CS-0148628 [0,0,0,1,0,0|2,0,1]=4 357 B7R1.3 NC1CCCCC1 CS-W013335 [0,0,0,1,0,0|2,0,1]=4 358 B7R1.3 NN1CCCCC1 CS-W007639 [0,0,0,1,0,0|3,0,0]=4 359 B7R1.3 O=C1C=CCCN1 CS-W006454 [0,0,0,1,0,0|1,0,2]=4 360 B7R1.3 O=C1CCCCN1 CS-W022933 [0,0,0,1,0,0|1,0,0]=2 361 B7R1.3 O=C1CCCCO1 CS-W013713 [0,0,0,1,0,0|0,0,0]=1 362 B7R1.3 O=C1CCCNC1 CS-0048756 [0,0,0,1,0,0|2,0,0]=3 363 B7R1.3 O=C1CCCNC1 CS-0185548 [0,0,0,1,0,0|2,0,0]=3 364 B7R1.3 O=C1CCCOC1 CS-D1576 [0,0,0,1,0,0|2,0,0]=3 365 B7R1.3 O=C1CCCSC1 CS-D0446 [0,0,0,1,0,0|2,0,0]=3 366 B7R1.3 O=C1CCOCC1 CS-D0601 [0,0,0,1,0,0|2,0,0]=3 367 B7R1.3 O=C1CCSCC1 CS-W002007 [0,0,0,1,0,0|2,0,0]=3 368 B7R1.3 O=C1CNCCN1 CS-B0039 [0,0,0,1,0,0|2,0,0]=3 369 B7R1.3 O=C1CNCCO1 CS-0098127 [0,0,0,1,0,0|1,0,0]=2 370 B7R1.3 O=C1COCCN1 CS-D1427 [0,0,0,1,0,0|2,0,0]=3 371 B7R1.3 O=C1COCCO1 CS-0031423 [0,0,0,1,0,0|1,0,0]=2 372 B7R1.3 O=C1CSCCN1 CS-W019146 [0,0,0,1,0,0|2,0,0]=3 373 B7R1.3 O=C1NCCCO1 CS-0088044 [0,0,0,1,0,0|1,0,0]=2 374 B7R1.3 O=C1OCCCO1 CS-0155207 [0,0,0,1,0,0|1,0,0]=2 375 B7R1.3 O=S1CCNCC1 CS-0043941 [0,0,0,1,0,0|3,0,0]=4 376 B7R1.3 OC1CCCCC1 CS-0017198 [0,0,0,1,0,0|1,0,2]=4 377 B7R1.3 OC1CCCCO1 CS-0015921 [0,0,0,1,0,0|0,0,2]=3 378 B7R1.3 OC1CNCCO1 CS-W006148 [0,0,0,1,0,0|1,0,2]=4 379 B7R1.3 ON1CCCCC1 CS-W016646 [0,0,0,1,0,0|2,0,1]=4 380 B7R1.3 S=C1CCCCC1 CS-0661522 [0,0,0,1,0,0|1,1,0]=3 381 B7R1.3 S=C1NCCCN1 CS-0073474 [0,0,0,1,0,0|2,1,0]=4 382 B7R1.3 [C@H]1(C)CCCCN1 CS-0044046 [0,0,0,1,0,0|2,0,1]=4 383 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,0,0,1,0,0|2,0,1]=4 384 B7R1.4 BrC1=C(Br)CCC1 CS-W013034 [0,0,0,1,0,0|3,0,0]=4 385 B7R1.4 CC1=CCCC1=O CS-0180943 [0,0,0,1,0,0|1,0,1]=3 386 B7R1.4 CC1CCNC1=O CS-W004958 [0,0,0,1,0,0|2,0,0]=3 387 B7R1.4 CC1CCOC1=O CS-0152675 [0,0,0,1,0,0|2,0,0]=3 388 B7R1.4 CC1OCCC1=O CS-W011324 [0,0,0,1,0,0|2,0,0]=3 389 B7R1.4 CC1SCCC1=O CS-W011228 [0,0,0,1,0,0|2,0,0]=3 390 B7R1.4 CN1CCCC1=O CS-0017258 [0,0,0,1,0,0|1,0,0]=2 391 B7R1.4 CN1CCCC1=S CS-W013619 [0,0,0,1,0,0|1,1,0]=3 392 B7R1.4 CN1CCN=C1N CS-0158097 [0,0,0,1,0,0|3,0,0]=4 393 B7R1.4 CN1CCNC1=O CS-W005507 [0,0,0,1,0,0|2,0,0]=3 394 B7R1.4 CN1CCNC1=S CS-0214960 [0,0,0,1,0,0|2,1,0]=4 395 B7R1.4 CN1CCOC1=O CS-W016647 [0,0,0,1,0,0|2,0,0]=3 396 B7R1.4 CN1N=CCC1=O CS-0151202 [0,0,0,1,0,0|2,0,1]=4 397 B7R1.4 NC1CCNC1=O CS-0113495 [0,0,0,1,0,0|3,0,0]=4 398 B7R1.4 NC1CCOC1=O CS-0051531 [0,0,0,1,0,0|3,0,0]=4 399 B7R1.4 NC1CCSC1=O CS-0021300 [0,0,0,1,0,0|3,0,0]=4 400 B7R1.4 NN1CCCC1=O CS-D0019 [0,0,0,1,0,0|2,0,0]=3 401 B7R1.4 NN1CCOC1=O CS-W013698 [0,0,0,1,0,0|3,0,0]=4 402 B7R1.4 N[C@@H]1CCNC1=O CS-0094049 [0,0,0,1,0,0|3,0,0]=4 403 B7R1.4 N[C@@H]1CCOC1=O CS-0022064 [0,0,0,1,0,0|3,0,0]=4 404 B7R1.4 N[C@@H]1CCSC1=O CS-0375845 [0,0,0,1,0,0|3,0,0]=4 405 B7R1.4 N[C@H]1CCNC1=O CS-W021173 [0,0,0,1,0,0|3,0,0]=4 406 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,0,0,1,0,0|3,0,0]=4 407 B7R1.4 N[C@H]1CCSC1=O CS-6394 [0,0,0,1,0,0|3,0,0]=4 408 B7R1.4 O=C1CCC=C1O CS-W019237 [0,0,0,1,0,0|2,0,1]=4 409 B7R1.4 O=C1NCCC1O CS-W005201 [0,0,0,1,0,0|3,0,0]=4 410 B7R1.4 O=C1NCC[C@@H]1O CS-W003342 [0,0,0,1,0,0|3,0,0]=4 411 B7R1.4 O=C1NCC[C@H]1F CS-0500742 [0,0,0,1,0,0|3,0,0]=4 412 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [0,0,0,1,0,0|3,0,0]=4 413 B7R1.4 O=C1OCCC1Br CS-W001104 [0,0,0,1,0,0|3,0,0]=4 414 B7R1.4 O=C1OCCC1O CS-W013699 [0,0,0,1,0,0|3,0,0]=4 415 B7R1.4 O=C1OCC[C@@H]1O CS-0312594 [0,0,0,1,0,0|3,0,0]=4 416 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [0,0,0,1,0,0|3,0,0]=4 417 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [0,0,0,1,0,0|3,0,0]=4 418 B7R1.10 COC1CC(N)C1 CS-0051290 [0,0,0,1,0,0|2,0,1]=4 419 B7R1.10 COC1CC(O)C1 CS-0056983 [0,0,0,1,0,0|2,0,1]=4 420 B7R1.10 CO[C@H]1C[C@H](N)C1 CS-0045545 [0,0,0,1,0,0|2,0,1]=4 421 B7R1.22 CCC(N)C1CC1 CS-0052574 [0,0,0,1,0,0|2,0,1]=4 422 B7R1.22 CCC(O)C1CC1 CS-0052573 [0,0,0,1,0,0|1,0,2]=4 423 B7R1.22 COC(=O)[C@@H]1CO1 CS-0063139 [0,0,0,1,0,0|1,0,0]=2 424 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [0,0,0,1,0,0|1,0,0]=2 425 B7R1.22 N=C(NO)C1CC1 CS-W005177 [0,0,0,1,0,0|3,0,0]=4 426 B7R1.22 NNC(=O)C1CC1 CS-D0255 [0,0,0,1,0,0|2,0,0]=3 427 B7R1.22 O=C(CO)C1CC1 CS-0230656 [0,0,0,1,0,0|2,0,0]=3 428 B7R1.22 O=C(O[K])[C@@H]1CO1 CS-0132936 [0,0,0,1,0,0|2,0,0]=3 429 B7R1.22 O=S(O[Na])C1CC1 CS-W023133 [0,0,0,1,0,0|2,0,0]=3 430 B7R1.25 COC1(C)CNC1 CS-0035135 [0,0,0,1,0,0|2,0,1]=4 431 B4R0.1 C(=O)C(=O)O CS-0031458 [2,0,0,0,0,0|1,0,1]=4 432 B4R0.1 C=C(C)CN CS-0204398 [2,0,0,0,0,0|2,0,0]=4 433 B4R0.1 C=CC(=O)O CS-0356466 [2,0,0,0,0,0|0,0,2]=4 434 B4R0.1 C=CC(=O)O CS-0356467 [2,0,0,0,0,0|0,0,2]=4 435 B4R0.1 C=CC(=O)O CS-0356469 [2,0,0,0,0,0|0,0,2]=4 436 B4R0.1 C=CC(=O)O CS-0356470 [2,0,0,0,0,0|0,0,2]=4 437 B4R0.1 C=CC(=O)O CS-0356471 [2,0,0,0,0,0|0,0,2]=4 438 B4R0.1 CC(=O)C=O CS-0031856 [2,0,0,0,0,0|1,0,1]=4 439 B4R0.1 CC(=O)CN CS-W004850 [2,0,0,0,0,0|1,0,0]=3 440 B4R0.1 CC(=O)CO CS-0017823 [2,0,0,0,0,0|1,0,0]=3 441 B4R0.1 CC(=O)NBr CS-0142503 [2,0,0,0,0,0|2,0,0]=4 442 B4R0.1 CC(=O)NN CS-D1403 [2,0,0,0,0,0|2,0,0]=4 443 B4R0.1 CC(=O)NO CS-4881 [2,0,0,0,0,0|2,0,0]=4 444 B4R0.1 CC(=O)O[Ag] CS-0082496 [2,0,0,0,0,0|1,0,0]=3 445 B4R0.1 CC(=O)O[K] CS-W020131 [2,0,0,0,0,0|1,0,0]=3 446 B4R0.1 CCB(O)O CS-W000933 [2,0,0,0,0,0|1,0,1]=4 447 B4R0.1 CCC(=N)N CS-W019290 [2,0,0,0,0,0|2,0,0]=4 448 B4R0.1 CCC(=N)S CS-W016672 [2,0,0,0,0,0|1,1,0]=4 449 B4R0.1 CCC(N)=O CS-W016688 [2,0,0,0,0,0|1,0,0]=3 450 B4R0.1 CC[C@@H](C)N CS-0379054 [2,0,0,0,0,0|1,0,1]=4 451 B4R0.1 CC[C@@H](C)O CS-0128797 [2,0,0,0,0,0|0,0,2]=4 452 B4R0.1 CC[C@H](C)N CS-0084847 [2,0,0,0,0,0|1,0,1]=4 453 B4R0.1 CNC(C)=O CS-0031873 [2,0,0,0,0,0|1,0,0]=3 454 B4R0.1 CNC(N)=O CS-W016687 [2,0,0,0,0,0|2,0,0]=4 455 B4R0.1 COC(=N)N CS-0114088 [2,0,0,0,0,0|2,0,0]=4 456 B4R0.1 COC(=N)N CS-W017615 [2,0,0,0,0,0|2,0,0]=4 457 B4R0.1 COC(=N)N CS-W019574 [2,0,0,0,0,0|2,0,0]=4 458 B4R0.1 COC(N)=O CS-0017839 [2,0,0,0,0,0|1,0,0]=3 459 B4R0.1 CS(=O)O[Na] CS-0019422 [2,0,0,0,0,0|2,0,0]=4 460 B4R0.1 NC(=O)CBr CS-W007330 [2,0,0,0,0,0|2,0,0]=4 461 B4R0.1 NC(=O)CI CS-0020050 [2,0,0,0,0,0|2,0,0]=4 462 B4R0.1 NC(=O)CO CS-W016686 [2,0,0,0,0,0|2,0,0]=4 463 B4R0.1 NCC(=O)O CS-0158475 [2,0,0,0,0,0|1,0,0]=3 464 B4R0.1 NCC(=O)O CS-0187433 [2,0,0,0,0,0|1,0,0]=3 465 B4R0.1 NCC(=O)O CS-B1641 [2,0,0,0,0,0|1,0,0]=3 466 B4R0.1 NCC(N)=O CS-0149938 [2,0,0,0,0,0|2,0,0]=4 467 B4R0.1 NCC(N)=O CS-W019695 [2,0,0,0,0,0|2,0,0]=4 468 B4R0.1 O=C(O)[Ba]O CS-0015804 [2,0,0,0,0,0|2,0,0]=4 469 B4R0.1 O=C([Co])OO CS-0111382 [2,0,0,0,0,0|2,0,0]=4 470 B4R0.1 O=C([Cu])OO CS-0188508 [2,0,0,0,0,0|2,0,0]=4 471 B4R0.1 O=CC(=O)O CS-W019807 [2,0,0,0,0,0|1,0,1]=4 472 B4R0.1 [2H]C(=O)O[Na] CS-0542325 [2,0,0,0,0,0|2,0,0]=4 473 B4R0.2 C=CCCI CS-0139149 [2,0,0,0,0,0|1,0,1]=4 474 B4R0.2 C=CCCN CS-0028781 [2,0,0,0,0,0|1,0,1]=4 475 B4R0.2 CCCCN CS-0214149 [2,0,0,0,0,0|1,0,1]=4 476 B4R0.2 CCCNN CS-0152064 [2,0,0,0,0,0|2,0,0]=4 477 B4R0.2 CCNC=O CS-0187584 [2,0,0,0,0,0|1,0,0]=3 478 B4R0.2 CCNCC CS-0160324 [2,0,0,0,0,0|1,0,1]=4 479 B4R0.2 CCOC=N CS-0333913 [2,0,0,0,0,0|2,0,0]=4 480 B4R0.2 CNCCBr CS-0042068 [2,0,0,0,0,0|2,0,0]=4 481 B4R0.2 CNCCCl CS-W019383 [2,0,0,0,0,0|2,0,0]=4 482 B4R0.2 CNCCO CS-0542090 [2,0,0,0,0,0|1,0,1]=4 483 B4R0.2 CNCCO CS-W008875 [2,0,0,0,0,0|1,0,1]=4 484 B4R0.2 COCC#N CS-0128800 [2,0,0,0,0,0|1,0,1]=4 485 B4R0.2 COCCBr CS-0015336 [2,0,0,0,0,0|1,0,0]=3 486 B4R0.2 COCCI CS-0139205 [2,0,0,0,0,0|1,0,0]=3 487 B4R0.2 COCCO CS-0179325 [2,0,0,0,0,0|1,0,0]=3 488 B4R0.2 COCCO CS-0200432 [2,0,0,0,0,0|1,0,0]=3 489 B4R0.2 CSCCN CS-0063136 [2,0,0,0,0,0|1,1,0]=4 490 B4R0.2 CSCCO CS-0150086 [2,0,0,0,0,0|1,0,1]=4 491 B4R0.2 CSCSC CS-W013673 [2,0,0,0,0,0|1,1,0]=4 492 B4R0.2 NCCCO CS-W020089 [2,0,0,0,0,0|1,0,1]=4 493 B4R0.2 NCCON CS-M2746 [2,0,0,0,0,0|2,0,0]=4 494 B4R0.2 NOCCO CS-W011361 [2,0,0,0,0,0|2,0,0]=4 495 B4R0.2 OCCCBr CS-W007337 [2,0,0,0,0,0|1,0,1]=4 496 B4R0.2 OCCCF CS-0170820 [2,0,0,0,0,0|1,0,1]=4 497 B4R0.2 OCCCI CS-W015993 [2,0,0,0,0,0|1,0,1]=4 498 B4R0.2 OCCCO CS-W018490 [2,0,0,0,0,0|1,0,1]=4 499 B6R0.2 CC(=O)CC(N)=O CS-0134202 [1,1,0,0,0,0|1,0,1]=4 500 B6R0.2 CC(=O)CN(C)C CS-0204530 [1,1,0,0,0,0|1,0,0]=3 501 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [1,1,0,0,0,0|0,0,0]=2 502 B6R0.2 CC(=O)NC(C)C CS-M3536 [1,1,0,0,0,0|1,0,0]=3 503 B6R0.2 CC(=O)OC(C)Br CS-0135277 [1,1,0,0,0,0|1,0,0]=3 504 B6R0.2 CC(=O)[CH-]C(C)=O CS-0196895 [1,1,0,0,0,0|0,0,2]=4 505 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [1,1,0,0,0,0|0,0,2]=4 506 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085298 [1,1,0,0,0,0|0,0,2]=4 507 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085476 [1,1,0,0,0,0|0,0,2]=4 508 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0105902 [1,1,0,0,0,0|0,0,2]=4 509 B6R0.2 CC(C)=CC(=O)O CS-W011327 [1,1,0,0,0,0|0,0,2]=4 510 B6R0.2 CC(C)CB(O)O CS-W000978 [1,1,0,0,0,0|1,0,1]=4 511 B6R0.2 CC(C)CC(=O)O CS-0881782 [1,1,0,0,0,0|0,0,0]=2 512 B6R0.2 CC(C)CC(=O)O CS-W013696 [1,1,0,0,0,0|0,0,0]=2 513 B6R0.2 CC(C)CC(N)=S CS-0642935 [1,1,0,0,0,0|1,1,0]=4 514 B6R0.2 CC(C)C[C@H](C)O CS-0237477 [1,1,0,0,0,0|0,0,2]=4 515 B6R0.2 CC(C)NC(N)=O CS-0162822 [1,1,0,0,0,0|2,0,0]=4 516 B6R0.2 CC(C)OC(N)=O CS-0119929 [1,1,0,0,0,0|2,0,0]=4 517 B6R0.2 CC(Cl)CN(C)C CS-0128777 [1,1,0,0,0,0|2,0,0]=4 518 B6R0.2 CC(N)CC(=O)O CS-W009549 [1,1,0,0,0,0|0,0,0]=2 519 B6R0.2 CC(O)CC(=O)O CS-0062335 [1,1,0,0,0,0|0,0,0]=2 520 B6R0.2 CC(O)CC(C)O CS-0377993 [1,1,0,0,0,0|0,0,2]=4 521 B6R0.2 CC(O)CC(N)=O CS-0435186 [1,1,0,0,0,0|1,0,0]=3 522 B6R0.2 CN(C)CC(=O)O CS-D1391 [1,1,0,0,0,0|1,0,0]=3 523 B6R0.2 CN(C)CC(=O)O CS-W001158 [1,1,0,0,0,0|1,0,0]=3 524 B6R0.2 C[C@@H](N)CN(C)C CS-0159973 [1,1,0,0,0,0|2,0,0]=4 525 B6R0.2 C[C@@H](O)CN(C)C CS-0138530 [1,1,0,0,0,0|2,0,0]=4 526 B6R0.2 C[C@@H](O)C[C@@H](C)O CS-0085737 [1,1,0,0,0,0|0,0,2]=4 527 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [1,1,0,0,0,0|0,0,0]=2 528 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [1,1,0,0,0,0|0,0,0]=2 529 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [1,1,0,0,0,0|0,0,0]=2 530 B6R0.2 C[C@H](O)C[C@H](C)O CS-0085738 [1,1,0,0,0,0|0,0,2]=4 531 B6R0.2 C\C(Cl)=C/C(=O)O CS-0834363 [1,1,0,0,0,0|0,0,2]=4 532 B6R0.2 C\C(Cl)=C\C(=O)O CS-0834361 [1,1,0,0,0,0|0,0,2]=4 533 B6R0.2 NC(=O)CC(=O)O CS-0149950 [1,1,0,0,0,0|1,0,1]=4 534 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [1,1,0,0,0,0|0,0,0]=2 535 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [1,1,0,0,0,0|0,0,0]=2 536 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [1,1,0,0,0,0|0,0,0]=2 537 B6R0.3 C(C)=C(/C)C(=O)O CS-W009553 [1,1,0,0,0,0|0,0,2]=4 538 B6R0.3 C=C(CBr)C(=O)O CS-W017896 [1,1,0,0,0,0|1,0,1]=4 539 B6R0.3 C=CC(C)C(=O)O CS-0006592 [1,1,0,0,0,0|0,0,2]=4 540 B6R0.3 C=C[C@@H](N)C(=O)O CS-0131608 [1,1,0,0,0,0|0,0,2]=4 541 B6R0.3 C=C[C@H](N)C(=O)O CS-D0476 [1,1,0,0,0,0|0,0,2]=4 542 B6R0.3 CC(=O)C(=O)CBr CS-0199660 [1,1,0,0,0,0|1,0,1]=4 543 B6R0.3 CC(C#N)C(=O)O CS-0139286 [1,1,0,0,0,0|1,0,1]=4 544 B6R0.3 CC(CBr)C(=O)O CS-W016048 [1,1,0,0,0,0|1,0,0]=3 545 B6R0.3 CC(CN)C(=O)O CS-W013690 [1,1,0,0,0,0|1,0,0]=3 546 B6R0.3 CCC(=O)C(=O)O CS-W007926 [1,1,0,0,0,0|0,0,1]=3 547 B6R0.3 CCC(=O)C(C)=O CS-W013714 [1,1,0,0,0,0|0,0,1]=3 548 B6R0.3 CCC(Br)C(N)=O CS-0152635 [1,1,0,0,0,0|1,0,0]=3 549 B6R0.3 CCC(C)B(O)O CS-W011315 [1,1,0,0,0,0|1,0,1]=4 550 B6R0.3 CCC(N)C(=O)O CS-W011306 [1,1,0,0,0,0|0,0,0]=2 551 B6R0.3 CCC(N)C(N)=O CS-0197483 [1,1,0,0,0,0|1,0,0]=3 552 B6R0.3 CCC(O)C(N)=O CS-0232591 [1,1,0,0,0,0|1,0,0]=3 553 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [1,1,0,0,0,0|0,0,0]=2 554 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [1,1,0,0,0,0|0,0,0]=2 555 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [1,1,0,0,0,0|0,0,0]=2 556 B6R0.3 CC[C@@H](N)C(N)=O CS-0011806 [1,1,0,0,0,0|1,0,0]=3 557 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [1,1,0,0,0,0|0,0,0]=2 558 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [1,1,0,0,0,0|0,0,0]=2 559 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [1,1,0,0,0,0|0,0,0]=2 560 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [1,1,0,0,0,0|0,0,0]=2 561 B6R0.3 CC[C@H](N)C(N)=O CS-0011803 [1,1,0,0,0,0|1,0,0]=3 562 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [1,1,0,0,0,0|1,0,0]=3 563 B6R0.3 CC[C@H](N)[C@@H](C)O CS-0183871 [1,1,0,0,0,0|0,0,2]=4 564 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [1,1,0,0,0,0|0,0,0]=2 565 B6R0.3 CNC(=O)C(=O)O CS-0113142 [1,1,0,0,0,0|1,0,1]=4 566 B6R0.3 CNC(C)C(=O)O CS-W011307 [1,1,0,0,0,0|1,0,0]=3 567 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [1,1,0,0,0,0|1,0,0]=3 568 B6R0.3 COC(=O)C(C)=O CS-W013701 [1,1,0,0,0,0|1,0,1]=4 569 B6R0.3 COC(C)C(=O)O CS-W004806 [1,1,0,0,0,0|1,0,0]=3 570 B6R0.3 CON(C)C(C)=O CS-W001095 [1,1,0,0,0,0|2,0,0]=4 571 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [1,1,0,0,0,0|1,0,0]=3 572 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [1,1,0,0,0,0|1,0,0]=3 573 B6R0.3 C[C@@H](CN)C(=O)O CS-0062338 [1,1,0,0,0,0|1,0,0]=3 574 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [1,1,0,0,0,0|1,0,0]=3 575 B6R0.3 C[C@H](CN)C(=O)O CS-0444634 [1,1,0,0,0,0|1,0,0]=3 576 B6R0.3 C\C=C(/C)C(=O)O CS-0356606 [1,1,0,0,0,0|0,0,2]=4 577 B6R0.3 C\C=C(/C)C(=O)O CS-W013715 [1,1,0,0,0,0|0,0,2]=4 578 B6R0.3 NC(=O)C(Br)CBr CS-0013982 [1,1,0,0,0,0|2,0,0]=4 579 B6R0.3 NC(=O)[C@@H](N)CO CS-W008254 [1,1,0,0,0,0|2,0,0]=4 580 B6R0.3 NC(=O)[C@H](N)CO CS-0158516 [1,1,0,0,0,0|2,0,0]=4 581 B6R0.3 NC(CO)C(=O)O CS-0015292 [1,1,0,0,0,0|1,0,0]=3 582 B6R0.3 NC(CS)C(=O)O CS-0201576 [1,1,0,0,0,0|1,0,0]=3 583 B6R0.3 NC(CS)C(=O)O CS-W013566 [1,1,0,0,0,0|1,0,0]=3 584 B6R0.3 NC(CS)C(=O)O CS-W014367 [1,1,0,0,0,0|1,0,0]=3 585 B6R0.3 NC(CS)C(=O)O CS-W017432 [1,1,0,0,0,0|1,0,0]=3 586 B6R0.3 NCC(F)C(=O)O CS-W011291 [1,1,0,0,0,0|1,0,0]=3 587 B6R0.3 NCC(N)C(=O)O CS-0130703 [1,1,0,0,0,0|1,0,0]=3 588 B6R0.3 NCC(N)C(=O)O CS-W014390 [1,1,0,0,0,0|1,0,0]=3 589 B6R0.3 NCC(O)C(=O)O CS-W013682 [1,1,0,0,0,0|1,0,0]=3 590 B6R0.3 NC[C@@H](N)C(=O)O CS-0311806 [1,1,0,0,0,0|1,0,0]=3 591 B6R0.3 NC[C@@H](N)C(=O)O CS-W011028 [1,1,0,0,0,0|1,0,0]=3 592 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [1,1,0,0,0,0|1,0,0]=3 593 B6R0.3 NC[C@H](N)C(=O)O CS-W014389 [1,1,0,0,0,0|1,0,0]=3 594 B6R0.3 N[C@@H](CCl)C(=O)O CS-7792 [1,1,0,0,0,0|1,0,0]=3 595 B6R0.3 N[C@@H](CO)C(=O)O CS-0201873 [1,1,0,0,0,0|1,0,0]=3 596 B6R0.3 N[C@@H](CO)C(=O)O CS-W020136 [1,1,0,0,0,0|1,0,0]=3 597 B6R0.3 N[C@@H](CS)C(=O)O CS-W009027 [1,1,0,0,0,0|1,0,0]=3 598 B6R0.3 N[C@@H](CS)C(=O)O CS-W017431 [1,1,0,0,0,0|1,0,0]=3 599 B6R0.3 N[C@@H](CS)C(=O)O CS-W018517 [1,1,0,0,0,0|1,0,0]=3 600 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [1,1,0,0,0,0|1,0,0]=3 601 B6R0.3 N[C@H](CCl)C(=O)O CS-W016173 [1,1,0,0,0,0|1,0,0]=3 602 B6R0.3 N[C@H](CO)C(=O)O CS-D1751 [1,1,0,0,0,0|1,0,0]=3 603 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [1,1,0,0,0,0|1,0,0]=3 604 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [1,1,0,0,0,0|1,0,0]=3 605 B6R0.3 O=C(O)C(=O)CBr CS-5517 [1,1,0,0,0,0|1,0,1]=4 606 B6R0.3 O=C(O)C(O)CCl CS-0186802 [1,1,0,0,0,0|1,0,0]=3 607 B6R0.3 O=C(O)C(O)CO CS-W018821 [1,1,0,0,0,0|1,0,0]=3 608 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [1,1,0,0,0,0|1,0,0]=3 609 B6R0.3 [C@H](C)(OC)C(=O)O CS-0044100 [1,1,0,0,0,0|1,0,0]=3 610 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [1,1,0,0,0,0|0,0,0]=2 611 B6R0.3 [C@H](O)(CN)C(=O)O CS-W013683 [1,1,0,0,0,0|1,0,0]=3 612 B6R0.4 C#CCCC(=O)O CS-W008784 [1,1,0,0,0,0|0,0,1]=3 613 B6R0.4 C#CCNC(C)=O CS-0434175 [1,1,0,0,0,0|0,0,2]=4 614 B6R0.4 C#CCOC(C)=O CS-0158541 [1,1,0,0,0,0|0,0,2]=4 615 B6R0.4 C=CCCC(=O)O CS-W009138 [1,1,0,0,0,0|0,0,1]=3 616 B6R0.4 CC(=O)CCCCl CS-W013569 [1,1,0,0,0,0|0,0,0]=2 617 B6R0.4 CC(=O)CCCO CS-0020001 [1,1,0,0,0,0|0,0,0]=2 618 B6R0.4 CC(=O)NCCO CS-W013689 [1,1,0,0,0,0|1,0,0]=3 619 B6R0.4 CC(=O)OCCBr CS-W007598 [1,1,0,0,0,0|1,0,0]=3 620 B6R0.4 CC(=O)OCCN CS-0657679 [1,1,0,0,0,0|1,0,0]=3 621 B6R0.4 CC(=O)OCCO CS-0154995 [1,1,0,0,0,0|1,0,0]=3 622 B6R0.4 CC(Br)CCCBr CS-0204659 [1,1,0,0,0,0|1,0,1]=4 623 B6R0.4 CC(C)=CCCBr CS-0155165 [1,1,0,0,0,0|1,0,1]=4 624 B6R0.4 CC(C)CCCBr CS-0154233 [1,1,0,0,0,0|1,0,1]=4 625 B6R0.4 CC(C)CCCO CS-W007511 [1,1,0,0,0,0|1,0,1]=4 626 B6R0.4 CC(O)CCCO CS-0154051 [1,1,0,0,0,0|0,0,2]=4 627 B6R0.4 CCC#CC(=O)O CS-W013726 [1,1,0,0,0,0|0,0,1]=3 628 B6R0.4 CCCCB(O)O CS-W000932 [1,1,0,0,0,0|1,0,1]=4 629 B6R0.4 CCCCC(=N)N CS-0122242 [1,1,0,0,0,0|2,0,0]=4 630 B6R0.4 CCCCC(N)=S CS-0248646 [1,1,0,0,0,0|1,1,0]=4 631 B6R0.4 CCCCS(=O)[O-] CS-0851776 [1,1,0,0,0,0|1,0,1]=4 632 B6R0.4 CCCC[C@@H](C)O CS-0179419 [1,1,0,0,0,0|0,0,2]=4 633 B6R0.4 CCCC[C@H](C)O CS-0179420 [1,1,0,0,0,0|0,0,2]=4 634 B6R0.4 CCCNC(C)=O CS-0246738 [1,1,0,0,0,0|0,0,0]=2 635 B6R0.4 CCCOC(N)=O CS-W019060 [1,1,0,0,0,0|1,0,0]=3 636 B6R0.4 CCNCC(=O)O CS-0201673 [1,1,0,0,0,0|0,0,0]=2 637 B6R0.4 CCNCC(C)C CS-0071534 [1,1,0,0,0,0|1,0,1]=4 638 B6R0.4 CCOCC(=O)O CS-0071579 [1,1,0,0,0,0|0,0,0]=2 639 B6R0.4 CCSCC(=O)O CS-0197336 [1,1,0,0,0,0|0,0,0]=2 640 B6R0.4 CC\C=C\C(=O)O CS-0053528 [1,1,0,0,0,0|0,0,1]=3 641 B6R0.4 CN(C)CCCBr CS-W003771 [1,1,0,0,0,0|2,0,0]=4 642 B6R0.4 CN(C)CCCCl CS-W004690 [1,1,0,0,0,0|2,0,0]=4 643 B6R0.4 CN(C)CCCCl CS-W019575 [1,1,0,0,0,0|2,0,0]=4 644 B6R0.4 CN(C)CCCN CS-0214111 [1,1,0,0,0,0|2,0,0]=4 645 B6R0.4 CNCCC(=O)O CS-0112815 [1,1,0,0,0,0|0,0,0]=2 646 B6R0.4 CNCCC(=O)O CS-0169148 [1,1,0,0,0,0|0,0,0]=2 647 B6R0.4 CNCCC(C)C CS-0039334 [1,1,0,0,0,0|1,0,1]=4 648 B6R0.4 CNCCC(N)=O CS-0214971 [1,1,0,0,0,0|1,0,0]=3 649 B6R0.4 CNCCN(C)C CS-W022914 [1,1,0,0,0,0|2,0,0]=4 650 B6R0.4 COCCC(=O)O CS-W009112 [1,1,0,0,0,0|0,0,0]=2 651 B6R0.4 CO\C=C\C(=O)O CS-0201343 [1,1,0,0,0,0|0,0,2]=4 652 B6R0.4 CO\C=C\C(C)=O CS-0145411 [1,1,0,0,0,0|0,0,2]=4 653 B6R0.4 CO\C=C\C(C)=O CS-W013712 [1,1,0,0,0,0|0,0,2]=4 654 B6R0.4 CS(=O)CCCN CS-0286765 [1,1,0,0,0,0|1,0,0]=3 655 B6R0.4 CSCCC(=O)O CS-6296 [1,1,0,0,0,0|0,0,0]=2 656 B6R0.4 CSCCC(C)=O CS-0206726 [1,1,0,0,0,0|0,0,0]=2 657 B6R0.4 C[C@@H](N)CCCO CS-0634445 [1,1,0,0,0,0|1,0,1]=4 658 B6R0.4 C[C@H](N)CCCO CS-0652529 [1,1,0,0,0,0|1,0,1]=4 659 B6R0.4 C\C=C\CC(=O)O CS-0129103 [1,1,0,0,0,0|0,0,1]=3 660 B6R0.4 N#CCCC(=O)O CS-W018565 [1,1,0,0,0,0|0,0,1]=3 661 B6R0.4 N=C(O)NCCO CS-W011301 [1,1,0,0,0,0|2,0,0]=4 662 B6R0.4 NC(=O)NCCCl CS-0317452 [1,1,0,0,0,0|2,0,0]=4 663 B6R0.4 NCCCC(=O)O CS-W020704 [1,1,0,0,0,0|0,0,0]=2 664 B6R0.4 NCCCC(N)=O CS-0103894 [1,1,0,0,0,0|1,0,0]=3 665 B6R0.4 NCCNC(N)=O CS-0139236 [1,1,0,0,0,0|2,0,0]=4 666 B6R0.4 O=C(O)C#CCO CS-0005249 [1,1,0,0,0,0|0,0,2]=4 667 B6R0.4 O=C(O)CCCBr CS-W016047 [1,1,0,0,0,0|0,0,0]=2 668 B6R0.4 O=C(O)CCCCl CS-W013545 [1,1,0,0,0,0|0,0,0]=2 669 B6R0.4 O=C(O)\C=C\CBr CS-0020044 [1,1,0,0,0,0|0,0,2]=4 670 B6R0.4 O=C(O)\C=C\CCl CS-0139553 [1,1,0,0,0,0|0,0,2]=4 671 B6R0.4 O=CNCC(=O)O CS-0102520 [1,1,0,0,0,0|1,0,1]=4 672 B6R0.4 O=[N+]([O-])CCCO CS-0209456 [1,1,0,0,0,0|1,0,1]=4 673 B6R0.4 [N-]=[N+]=NCC(=O)O CS-0618774 [1,1,0,0,0,0|2,0,0]=4 674 B6R0.5 CCCS(=O)(=O)[O-] CS-0148389 [1,1,0,0,0,0|1,0,1]=4 675 B6R0.5 CCCS(N)(=O)=O CS-W022937 [1,1,0,0,0,0|1,0,1]=4 676 B6R0.5 CCC[N+](C)(C)C CS-0152572 [1,1,0,0,0,0|2,0,0]=4 677 B6R0.5 CCOS(C)(=O)=O CS-W016570 [1,1,0,0,0,0|2,0,0]=4 678 B6R0.5 CS(=O)(=O)CCBr CS-0084612 [1,1,0,0,0,0|2,0,0]=4 679 B6R0.5 CS(=O)(=O)CCN CS-0139140 [1,1,0,0,0,0|2,0,0]=4 680 B6R0.5 CS(=O)(=O)CCN CS-W003121 [1,1,0,0,0,0|2,0,0]=4 681 B6R0.5 CS(=O)(=O)CCO CS-0059238 [1,1,0,0,0,0|2,0,0]=4 682 B6R0.5 NCCP(=O)(O)O CS-W006371 [1,1,0,0,0,0|2,0,0]=4 683 B6R0.5 NCCS(=O)(=O)O CS-2397 [1,1,0,0,0,0|2,0,0]=4 684 B6R0.5 O=P(O)(O)CCCl CS-0197818 [1,1,0,0,0,0|2,0,0]=4 685 B6R0.5 O=P(O)(O)CCO CS-0514168 [1,1,0,0,0,0|2,0,0]=4 686 B6R0.5 O=S(=O)(O)CCO CS-W019640 [1,1,0,0,0,0|2,0,0]=4 687 B6R0.6 C(CC)=CCCO CS-W009552 [1,1,0,0,0,0|1,0,1]=4 688 B6R0.6 C(CO)=CCCC CS-W016652 [1,1,0,0,0,0|1,0,0]=3 689 B6R0.6 C=C=CCCCO CS-1014365 [1,1,0,0,0,0|1,0,1]=4 690 B6R0.6 CCCCCCI CS-0132388 [1,1,0,0,0,0|1,0,1]=4 691 B6R0.6 CCCCCCN CS-0196786 [1,1,0,0,0,0|1,0,1]=4 692 B6R0.6 CCCNCCC CS-0187381 [1,1,0,0,0,0|1,0,1]=4 693 B6R0.6 CCCNCCC CS-0214120 [1,1,0,0,0,0|1,0,1]=4 694 B6R0.6 CCCNCCO CS-0105782 [1,1,0,0,0,0|2,0,0]=4 695 B6R0.6 CCCOCCCl CS-0200392 [1,1,0,0,0,0|2,0,0]=4 696 B6R0.6 CCC\C=C\C=O CS-0099263 [1,1,0,0,0,0|1,0,1]=4 697 B6R0.6 CCNCCCN CS-0151962 [1,1,0,0,0,0|2,0,0]=4 698 B6R0.6 CCOCCCO CS-W013685 [1,1,0,0,0,0|1,0,1]=4 699 B6R0.6 CC\C=C/CCO CS-W011323 [1,1,0,0,0,0|1,0,1]=4 700 B6R0.6 CNCCCCBr CS-0163109 [1,1,0,0,0,0|1,0,1]=4 701 B6R0.6 CNCCCCO CS-W006493 [1,1,0,0,0,0|1,0,1]=4 702 B6R0.6 COCCCCBr CS-W021313 [1,1,0,0,0,0|0,0,1]=3 703 B6R0.6 COCCCCCl CS-0039726 [1,1,0,0,0,0|0,0,1]=3 704 B6R0.6 COCCCCO CS-0150179 [1,1,0,0,0,0|0,0,1]=3 705 B6R0.6 CSCCCCO CS-0204406 [1,1,0,0,0,0|0,1,1]=4 706 B6R0.8 CCS(=O)(=O)CC CS-0376644 [1,1,0,0,0,0|2,0,0]=4 707 B6R0.8 CCS(=O)(=O)OC CS-W011183 [1,1,0,0,0,0|1,0,0]=3 708 B6R0.9 CCN(C=O)CC CS-W009551 [1,1,0,0,0,0|2,0,0]=4 709 B6R0.9 CCN(CC)N=O CS-0128799 [1,1,0,0,0,0|2,0,0]=4 710 B8R0.2 CC(C)C(=O)C(=O)O[Na] CS-0128729 [0,2,0,0,0,0|1,0,1]=4 711 B8R0.2 COC(=O)C(C)C(=O)O CS-0072824 [0,2,0,0,0,0|1,0,1]=4 712 B8R0.2 COC(=O)C(C)C(C)=O CS-M0095 [0,2,0,0,0,0|0,0,1]=3 713 B8R0.2 COC(=O)C(Cl)C(C)=O CS-W018135 [0,2,0,0,0,0|0,0,1]=3 714 B8R0.2 COC(=O)C(N)C(C)C CS-W013235 [0,2,0,0,0,0|0,0,0]=2 715 B8R0.2 COC(=O)C(N)C(C)O CS-0169073 [0,2,0,0,0,0|0,0,0]=2 716 B8R0.2 COC(=O)C(O)C(C)C CS-0254529 [0,2,0,0,0,0|0,0,0]=2 717 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CS-W008086 [0,2,0,0,0,0|0,0,0]=2 718 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O CS-0147192 [0,2,0,0,0,0|0,0,0]=2 719 B8R0.2 COC(=O)[C@@H](O)C(C)C CS-0186193 [0,2,0,0,0,0|0,0,0]=2 720 B8R0.2 COC(=O)[C@H](N)C(C)C CS-0012693 [0,2,0,0,0,0|0,0,0]=2 721 B8R0.2 COC(=O)[C@H](N)[C@H](C)O CS-0147184 [0,2,0,0,0,0|0,0,0]=2 722 B8R0.2 COC(=O)[C@H](O)C(C)C CS-0160105 [0,2,0,0,0,0|0,0,0]=2 723 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C CS-W010793 [0,2,0,0,0,0|0,0,0]=2 724 B8R0.5 CC(C)OC(=O)CC#N CS-W013485 [0,2,0,0,0,0|1,0,1]=4 725 B8R0.5 CC(C)OC(=O)OCCl CS-W016293 [0,2,0,0,0,0|1,0,0]=3 726 B8R0.5 CC(C)OC(=O)OCI CS-0070034 [0,2,0,0,0,0|1,0,0]=3 727 B8R0.5 CCOC(=O)CC(=N)N CS-W003345 [0,2,0,0,0,0|1,0,1]=4 728 B8R0.5 CCOC(=O)CC(=N)S CS-W005154 [0,2,0,0,0,0|1,0,1]=4 729 B8R0.5 CCOC(=O)CC(=O)O CS-0016016 [0,2,0,0,0,0|1,0,1]=4 730 B8R0.5 CCOC(=O)CC(C)=O CS-0016216 [0,2,0,0,0,0|0,0,1]=3 731 B8R0.5 CCOC(=O)CC(C)Br CS-0197403 [0,2,0,0,0,0|0,0,0]=2 732 B8R0.5 CCOC(=O)CC(C)N CS-0030781 [0,2,0,0,0,0|0,0,0]=2 733 B8R0.5 CCOC(=O)CC(C)O CS-W013417 [0,2,0,0,0,0|0,0,0]=2 734 B8R0.5 CCOC(=O)CC(N)=O CS-W002214 [0,2,0,0,0,0|1,0,1]=4 735 B8R0.5 CCOC(=O)CN(C)C CS-W013421 [0,2,0,0,0,0|1,0,0]=3 736 B8R0.5 CCOC(=O)C[C@@H](C)N CS-0162169 [0,2,0,0,0,0|0,0,0]=2 737 B8R0.5 CCOC(=O)C[C@H](C)N CS-0095476 [0,2,0,0,0,0|0,0,0]=2 738 B8R0.5 CCOC(=O)C[C@H](C)O CS-0112519 [0,2,0,0,0,0|0,0,0]=2 739 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS-0000037 [0,2,0,0,0,0|2,0,0]=4 740 B8R0.5 CCOC(=O)C[S+](C)C CS-0167158 [0,2,0,0,0,0|1,0,0]=3 741 B8R0.5 CCOC(=O)OC(C)Cl CS-W016294 [0,2,0,0,0,0|1,0,0]=3 742 B8R0.5 CCOC(=O)\C=C(\C)I CS-0130425 [0,2,0,0,0,0|0,0,2]=4 743 B8R0.5 CCOC(=O)\C=C(\C)N CS-0031464 [0,2,0,0,0,0|0,0,2]=4 744 B8R0.5 CCOC(=O)\C=C(\C)N CS-W011120 [0,2,0,0,0,0|0,0,2]=4 745 B8R0.5 COCC(=O)OC(C)C CS-M1127 [0,2,0,0,0,0|1,0,0]=3 746 B8R0.5 C\C=C\C(=O)OC(C)C CS-0158289 [0,2,0,0,0,0|0,0,2]=4 747 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [0,2,0,0,0,0|1,0,0]=3 748 B8R0.19 CCC(=O)CC(=O)OC CS-W011110 [0,2,0,0,0,0|0,0,0]=2 749 B8R0.19 CC[C@@H](O)CC(=O)OC CS-0852565 [0,2,0,0,0,0|0,0,0]=2 750 B8R0.19 CNC(C)CC(=O)OC CS-0124917 [0,2,0,0,0,0|0,0,0]=2 751 B8R0.19 CN\C(C)=C\C(=O)OC CS-M1728 [0,2,0,0,0,0|0,0,2]=4 752 B8R0.19 COC(=O)CC(=O)CCl CS-0044248 [0,2,0,0,0,0|0,0,1]=3 753 B8R0.19 COC(=O)CC(=O)OC CS-0019394 [0,2,0,0,0,0|0,0,1]=3 754 B8R0.19 COC(=O)CC(=O)O[K] CS-M3561 [0,2,0,0,0,0|1,0,1]=4 755 B8R0.19 COC(=O)N[C@@H](C)CN CS-0010956 [0,2,0,0,0,0|1,0,0]=3 756 B8R0.23 C=C(CC(C)C)C(C)=O CS-0132337 [0,2,0,0,0,0|2,0,0]=4 757 B8R0.23 CC(=O)C(=O)OC(C)C CS-M0668 [0,2,0,0,0,0|2,0,0]=4 758 B8R0.23 CC(C)CC(=O)C(=O)O CS-W013438 [0,2,0,0,0,0|2,0,0]=4 759 B8R0.23 CC(C)NC(=O)C(C)C CS-0119885 [0,2,0,0,0,0|2,0,0]=4 760 B8R0.23 CC(C)OC(=O)[C@@H](C)N CS-M2998 [0,2,0,0,0,0|2,0,0]=4 761 B8R0.23 CC(C)OC(=O)[C@H](C)N CS-W019924 [0,2,0,0,0,0|2,0,0]=4 762 B8R0.24 CCC(=O)OC(C)(C)C CS-0188223 [0,2,0,0,0,0|2,0,0]=4 763 B8R0.24 CNC(=O)CS(C)(=O)=O CS-0314285 [0,2,0,0,0,0|2,0,0]=4 764 B8R0.24 CNC(=O)OC(C)(C)C CS-W007463 [0,2,0,0,0,0|2,0,0]=4 765 B8R0.24 COC(=O)CC(C)(C)N CS-0139287 [0,2,0,0,0,0|0,0,0]=2 766 B8R0.24 COC(=O)CC(C)(C)O CS-0187490 [0,2,0,0,0,0|0,0,0]=2 767 B8R0.24 COC(=O)CC(F)(F)F CS-0121472 [0,2,0,0,0,0|1,0,0]=3 768 B8R0.24 COC(=O)CS(C)(=O)=O CS-W016301 [0,2,0,0,0,0|1,0,0]=3 769 B8R0.1 C#CCCC(=O)CCO CS-0038477 [0,2,0,0,0,0|1,0,1]=4 770 B8R0.1 C#CCCC(=O)OCC CS-0044527 [0,2,0,0,0,0|0,0,1]=3 771 B8R0.1 C(CBr)=CC(=O)OCC CS-W007837 [0,2,0,0,0,0|0,0,2]=4 772 B8R0.1 C=CCOC(=O)OCC CS-0197813 [0,2,0,0,0,0|1,0,0]=3 773 B8R0.1 CCCNC(=O)CC#N CS-0215383 [0,2,0,0,0,0|1,0,1]=4 774 B8R0.1 CCCOC(=O)CC#N CS-0217234 [0,2,0,0,0,0|1,0,1]=4 775 B8R0.1 CCOC(=O)CCC#N CS-0094471 [0,2,0,0,0,0|0,0,1]=3 776 B8R0.1 CCOC(=O)CCCBr CS-W020133 [0,2,0,0,0,0|0,0,0]=2 777 B8R0.1 CCOC(=O)CCCI CS-0029516 [0,2,0,0,0,0|0,0,0]=2 778 B8R0.1 CCOC(=O)CCCN CS-W010794 [0,2,0,0,0,0|0,0,0]=2 779 B8R0.1 CCOC(=O)CCNN CS-0151578 [0,2,0,0,0,0|1,0,0]=3 780 B8R0.1 CCOC(=O)CNC=O CS-0201687 [0,2,0,0,0,0|1,0,1]=4 781 B8R0.1 CCOCC(=O)OCC CS-0151430 [0,2,0,0,0,0|0,0,0]=2 782 B8R0.3 C#CC[C@H](N)C(=O)OC CS-0180948 [0,2,0,0,0,0|0,0,1]=3 783 B8R0.3 C=C(CBr)C(=O)OCC CS-W015793 [0,2,0,0,0,0|1,0,1]=4 784 B8R0.3 C=C(CO)C(=O)OCC CS-W005253 [0,2,0,0,0,0|1,0,1]=4 785 B8R0.3 CCCC(=O)N(C)OC CS-0123043 [0,2,0,0,0,0|0,0,0]=2 786 B8R0.3 CCCC(N)C(=O)OC CS-0152454 [0,2,0,0,0,0|0,0,0]=2 787 B8R0.3 CCC[C@H](N)C(=O)OC CS-0152592 [0,2,0,0,0,0|0,0,0]=2 788 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [0,2,0,0,0,0|0,0,1]=3 789 B8R0.3 CCOC(=O)C(Br)CBr CS-W012517 [0,2,0,0,0,0|1,0,0]=3 790 B8R0.3 CCOC(=O)C(Br)CC CS-W010634 [0,2,0,0,0,0|0,0,0]=2 791 B8R0.3 CCOC(=O)C(C)C#N CS-W002095 [0,2,0,0,0,0|1,0,1]=4 792 B8R0.3 CCOC(=O)C(N)CC CS-0197280 [0,2,0,0,0,0|0,0,0]=2 793 B8R0.3 CCOC(=O)C(N)CO CS-0022343 [0,2,0,0,0,0|1,0,0]=3 794 B8R0.3 CCOC(=O)C(N)CS CS-0498859 [0,2,0,0,0,0|1,0,0]=3 795 B8R0.3 CCOC(=O)C(O)CC CS-0185728 [0,2,0,0,0,0|0,0,0]=2 796 B8R0.3 CCOC(=O)[C@@H](C)OC CS-0055730 [0,2,0,0,0,0|1,0,0]=3 797 B8R0.3 CCOC(=O)[C@@H](N)CC CS-0162057 [0,2,0,0,0,0|0,0,0]=2 798 B8R0.3 CCOC(=O)[C@@H](N)CO CS-W017712 [0,2,0,0,0,0|1,0,0]=3 799 B8R0.3 CCOC(=O)[C@@H](N)CS CS-B1669 [0,2,0,0,0,0|1,0,0]=3 800 B8R0.3 CCOC(=O)[C@@H](O)CC CS-0527449 [0,2,0,0,0,0|0,0,0]=2 801 B8R0.3 CCOC(=O)[C@H](N)CO CS-W022750 [0,2,0,0,0,0|1,0,0]=3 802 B8R0.3 COC(=O)C(C)CCCl CS-0205287 [0,2,0,0,0,0|0,0,0]=2 803 B8R0.3 COC(=O)[C@@H](N)CSC CS-0654810 [0,2,0,0,0,0|0,0,0]=2 804 B8R0.3 COCC(=O)N(C)OC CS-0061704 [0,2,0,0,0,0|1,0,0]=3 805 B8R0.3 COC[C@@H](N)C(=O)OC CS-0162497 [0,2,0,0,0,0|0,0,0]=2 806 B8R0.6 C#CCCCC(=O)OC CS-0127624 [0,2,0,0,0,0|0,0,0]=2 807 B8R0.6 C=CC(=O)CCCCC CS-0168504 [0,2,0,0,0,0|1,0,1]=4 808 B8R0.6 C=CC(=O)NCCCC CS-0152107 [0,2,0,0,0,0|1,0,1]=4 809 B8R0.6 C=CCCCC(=O)OC CS-0015919 [0,2,0,0,0,0|0,0,0]=2 810 B8R0.6 CCCCCC(=O)NN CS-0152328 [0,2,0,0,0,0|2,0,0]=4 811 B8R0.6 CCCCNC(=O)CCl CS-0116592 [0,2,0,0,0,0|2,0,0]=4 812 B8R0.6 CCCCOC(=O)CN CS-0571899 [0,2,0,0,0,0|2,0,0]=4 813 B8R0.6 CCCCOC(=O)CS CS-0297731 [0,2,0,0,0,0|2,0,0]=4 814 B8R0.6 CCC\C=C\C(=O)OC CS-W013465 [0,2,0,0,0,0|0,0,0]=2 815 B8R0.6 CNCCCC(=O)OC CS-0112438 [0,2,0,0,0,0|0,0,0]=2 816 B8R0.6 COC(=O)CCCC#N CS-0216788 [0,2,0,0,0,0|0,0,0]=2 817 B8R0.6 COC(=O)CCCCBr CS-W022866 [0,2,0,0,0,0|0,0,0]=2 818 B8R0.6 COC(=O)CCCCCl CS-0098043 [0,2,0,0,0,0|0,0,0]=2 819 B8R0.6 COC(=O)CCCCN CS-0018002 [0,2,0,0,0,0|0,0,0]=2 820 B8R0.6 COC(=O)CCCCO CS-0021769 [0,2,0,0,0,0|0,0,0]=2 821 B8R0.6 COC(=O)COCCCl CS-0209481 [0,2,0,0,0,0|0,0,0]=2 822 B8R0.6 COCCCC(=O)OC CS-W011093 [0,2,0,0,0,0|0,0,0]=2 823 B8R0.6 COC\C=C\C(=O)OC CS-0528723 [0,2,0,0,0,0|0,0,1]=3 824 B8R0.6 C\C=C\C=C\C(=O)OC CS-0069857 [0,2,0,0,0,0|0,0,2]=4 825 B8R0.6 C\C=C\C=C\C(=O)OC CS-0898360 [0,2,0,0,0,0|0,0,2]=4 826 B8R0.6 O=C(CCCCO)O[Na] CS-0047732 [0,2,0,0,0,0|1,0,0]=3 827 B8R0.8 C=C(C)C(=O)NCCO CS-0160432 [0,2,0,0,0,0|2,0,0]=4 828 B8R0.8 C=C(C)C(=O)OCCN CS-0112263 [0,2,0,0,0,0|2,0,0]=4 829 B8R0.8 C=C(C)C(=O)OCCO CS-W013439 [0,2,0,0,0,0|2,0,0]=4 830 B8R0.8 CCCCC(=O)C(=O)O CS-0069654 [0,2,0,0,0,0|2,0,0]=4 831 B8R0.9 CNC(=O)CNC(C)=O CS-0277639 [0,2,0,0,0,0|1,0,1]=4 832 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [0,2,0,0,0,0|0,0,1]=3 833 B8R0.9 COC(=O)CCC(C)=O CS-0023754 [0,2,0,0,0,0|0,0,0]=2 834 B8R0.9 COC(=O)CCC(N)=O CS-0453315 [0,2,0,0,0,0|0,0,1]=3 835 B8R0.9 COC(=O)CCS(=O)[O-] CS-W008508 [0,2,0,0,0,0|1,0,0]=3 836 B8R0.9 COC(=O)CC[C@H](C)N CS-0572078 [0,2,0,0,0,0|0,0,0]=2 837 B8R0.9 COC(=O)CNC(C)=O CS-W013428 [0,2,0,0,0,0|0,0,1]=3 838 B8R0.9 COC(=O)CNC(C)C CS-0200417 [0,2,0,0,0,0|0,0,0]=2 839 B8R0.9 COC(=O)NCC(=O)O CS-0150649 [0,2,0,0,0,0|1,0,1]=4 840 B8R0.9 COC(=O)\C=C\N(C)C CS-0680413 [0,2,0,0,0,0|0,0,2]=4 841 B8R0.9 O=C(CSC(F)F)O[K] CS-B0604 [0,2,0,0,0,0|2,0,0]=4 842 B8R0.11 COC(CCCCl)OC CS-W008139 [0,2,0,0,0,0|0,0,2]=4 843 B8R0.25 CCCCS(=O)(=O)O[Na] CS-W017940 [0,2,0,0,0,0|2,0,0]=4 844 B8R0.25 CNCCS(=O)(=O)O[Na] CS-W022955 [0,2,0,0,0,0|2,0,0]=4 845 B8R0.25 COCCS(=O)(=O)O[Na] CS-0568340 [0,2,0,0,0,0|2,0,0]=4 846 B8R0.14 CCOC(=O)C(C)(C)N CS-0127822 [0,2,0,0,0,0|2,0,0]=4 847 B8R0.15 CCCC(CC)C(=O)O CS-0152450 [0,2,0,0,0,0|1,0,1]=4 848 B8R0.22 CCCN(C=O)CCC CS-W011117 [0,2,0,0,0,0|2,0,0]=4 849 B8R0.30 CCOP(=O)(O)OCC CS-6295 [0,2,0,0,0,0|2,0,0]=4 850 B8R0.30 CCOP(=O)([O-])OCC CS-0152008 [0,2,0,0,0,0|2,0,0]=4 851 B8R0.13 C#CC(C)(C)C(=O)OC CS-0197693 [0,2,0,0,0,0|0,0,2]=4 852 B8R0.13 COC(=O)C(C)(C)C#N CS-0028771 [0,2,0,0,0,0|1,0,1]=4 853 B8R0.13 COC(=O)C(C)(C)CN CS-W018801 [0,2,0,0,0,0|1,0,0]=3 854 B8R0.13 COC(=O)C(C)(C)CO CS-W013414 [0,2,0,0,0,0|1,0,0]=3 855 B8R0.13 COC(=O)C(C)(N)CO CS-0112989 [0,2,0,0,0,0|1,0,0]=3 856 B8R0.13 COC(=O)C(F)(F)CN CS-0665175 [0,2,0,0,0,0|1,0,0]=3 857 B8R0.20 CCC(=O)N(CC)CC CS-0196438 [0,2,0,0,0,0|2,0,0]=4 858 B8R0.20 CC[C@H](NC)C(=O)OC CS-0775668 [0,2,0,0,0,0|0,0,0]=2 859 B8R0.20 COC(=O)C(CBr)CBr CS-0112200 [0,2,0,0,0,0|1,0,0]=3 860 B8R0.20 COC(=O)C(CN)CN CS-W006782 [0,2,0,0,0,0|1,0,0]=3 861 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [1,0,0,1,0,0|1,0,1]=4 862 B6R1.2 IC1CCCC1 CS-0067150 [1,0,0,1,0,0|1,0,1]=4 863 B6R1.2 N=C1CCCS1 CS-W016514 [1,0,0,1,0,0|1,1,0]=4 864 B6R1.2 NC1=NCCC1 CS-B0123 [1,0,0,1,0,0|2,0,0]=4 865 B6R1.2 O=C1C=CCC1 CS-W011359 [1,0,0,1,0,0|0,0,2]=4 866 B6R1.2 O=C1C=CCO1 CS-W008270 [1,0,0,1,0,0|0,0,2]=4 867 B6R1.2 O=C1CCCN1 CS-0197058 [1,0,0,1,0,0|1,0,0]=3 868 B6R1.2 O=C1CCNC1 CS-W005267 [1,0,0,1,0,0|1,0,0]=3 869 B6R1.2 O=C1CCNN1 CS-W001151 [1,0,0,1,0,0|2,0,0]=4 870 B6R1.2 O=C1CCOC1 CS-D1574 [1,0,0,1,0,0|1,0,0]=3 871 B6R1.2 O=C1CCSC1 CS-W011310 [1,0,0,1,0,0|1,0,0]=3 872 B6R1.2 O=C1NCCN1 CS-0075560 [1,0,0,1,0,0|2,0,0]=4 873 B6R1.2 O=C1NCCO1 CS-W007548 [1,0,0,1,0,0|1,0,0]=3 874 B6R1.2 O=C1NCCS1 CS-W023026 [1,0,0,1,0,0|1,1,0]=4 875 B6R1.2 O=S1CCCC1 CS-0207394 [1,0,0,1,0,0|1,0,0]=3 876 B6R1.2 O=S1OCCO1 CS-W013675 [1,0,0,1,0,0|2,0,0]=4 877 B6R1.2 S=C1NCCO1 CS-0097403 [1,0,0,1,0,0|1,1,0]=4 878 B6R1.2 SC1=NCCC1 CS-W013703 [1,0,0,1,0,0|1,1,0]=4 879 B6R1.5 CC1CC(N)C1 CS-W006905 [1,0,0,1,0,0|1,0,1]=4 880 B6R1.5 CN1CC(=O)C1 CS-0052428 [1,0,0,1,0,0|1,0,0]=3 881 B6R1.5 NC1CC(=O)C1 CS-W005321 [1,0,0,1,0,0|1,0,0]=3 882 B6R1.5 O=C1CC(O)C1 CS-0051337 [1,0,0,1,0,0|1,0,0]=3 883 B6R1.8 C=C1CC1CO CS-0054284 [1,0,0,1,0,0|2,0,0]=4 884 B6R1.10 CC1(N)CCC1 CS-W021359 [1,0,0,1,0,0|1,0,1]=4 885 B6R1.10 CC1(O)CCC1 CS-0168123 [1,0,0,1,0,0|0,0,2]=4 886 B6R1.11 CC(N)C1CC1 CS-0112917 [1,0,0,1,0,0|1,0,1]=4 887 B6R1.11 C[C@@H](N)C1CC1 CS-0034128 [1,0,0,1,0,0|1,0,1]=4 888 B6R1.11 C[C@H](N)C1CC1 CS-0036411 [1,0,0,1,0,0|1,0,1]=4 889 B6R1.11 N=C(N)C1CC1 CS-W022622 [1,0,0,1,0,0|2,0,0]=4 890 B6R1.11 NC(=O)C1CC1 CS-W011356 [1,0,0,1,0,0|1,0,0]=3 891 B6R1.11 NC(=O)C1CO1 CS-0067053 [1,0,0,1,0,0|2,0,0]=4 892 B6R1.11 NC(=S)C1CC1 CS-0144906 [1,0,0,1,0,0|1,1,0]=4 893 B6R1.11 O=C(O)C1CC1 CS-W018339 [1,0,0,1,0,0|0,0,0]=2 894 B6R1.11 OB(O)C1CC1 CS-D1018 [1,0,0,1,0,0|1,0,1]=4 895 B6R1.1 C1=CCNCC1 CS-W021272 [1,0,0,1,0,0|2,0,0]=4 896 B6R1.1 C1CCNNC1 CS-0038680 [1,0,0,1,0,0|2,0,0]=4 897 B6R1.1 C1CCONC1 CS-W000777 [1,0,0,1,0,0|1,0,0]=3 898 B6R1.1 C1CSCCO1 CS-0155184 [1,0,0,1,0,0|1,0,1]=4 899 B6R1.6 BrCC1COC1 CS-W018850 [1,0,0,1,0,0|1,0,1]=4 900 B6R1.6 CNC1CCC1 CS-0054580 [1,0,0,1,0,0|1,0,1]=4 901 B6R1.6 CNC1COC1 CS-0040193 [1,0,0,1,0,0|1,0,1]=4 902 B6R1.6 COC1CNC1 CS-W008894 [1,0,0,1,0,0|1,0,1]=4 903 B6R1.6 ICC1COC1 CS-0045504 [1,0,0,1,0,0|1,0,1]=4 904 B6R1.6 NCC1COC1 CS-W008698 [1,0,0,1,0,0|1,0,1]=4 905 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [0,1,0,1,0,0|0,0,1]=3 906 B8R1.1 C=CC1COC(=O)O1 CS-W011250 [0,1,0,1,0,0|0,0,2]=4 907 B8R1.1 C=C[C@H]1COC(=O)C1 CS-0001483 [0,1,0,1,0,0|0,0,1]=3 908 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [0,1,0,1,0,0|1,0,0]=3 909 B8R1.1 CCC1COC(=O)N1 CS-0447690 [0,1,0,1,0,0|0,0,0]=2 910 B8R1.1 CCC1COC(=O)O1 CS-0187002 [0,1,0,1,0,0|0,0,0]=2 911 B8R1.1 CC[C@H]1COC(=O)N1 CS-0093963 [0,1,0,1,0,0|0,0,0]=2 912 B8R1.1 COC1=CC(=O)CC1 CS-0040746 [0,1,0,1,0,0|1,0,1]=4 913 B8R1.1 COC1CCC(N)C1 CS-0051286 [0,1,0,1,0,0|1,0,1]=4 914 B8R1.1 N#C[C@@H]1CCC(=O)C1 CS-0056414 [0,1,0,1,0,0|1,0,1]=4 915 B8R1.1 NCC1CCC(=O)N1 CS-0029734 [0,1,0,1,0,0|2,0,0]=4 916 B8R1.1 NCC1CCC(=O)N1 CS-0075962 [0,1,0,1,0,0|2,0,0]=4 917 B8R1.1 NCC1CNC(=O)C1 CS-0051184 [0,1,0,1,0,0|1,0,0]=3 918 B8R1.1 NC[C@@H]1CCC(=O)N1 CS-0144990 [0,1,0,1,0,0|2,0,0]=4 919 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [0,1,0,1,0,0|2,0,0]=4 920 B8R1.1 O=C1CC(CO)CN1 CS-0046664 [0,1,0,1,0,0|1,0,0]=3 921 B8R1.1 O=C1CC(CO)CO1 CS-0037642 [0,1,0,1,0,0|0,0,0]=2 922 B8R1.1 O=C1CCC(CO)C1 CS-0315717 [0,1,0,1,0,0|1,0,0]=3 923 B8R1.1 O=C1CCC(CO)N1 CS-W001608 [0,1,0,1,0,0|2,0,0]=4 924 B8R1.1 O=C1CCC(CO)O1 CS-0113560 [0,1,0,1,0,0|2,0,0]=4 925 B8R1.1 O=C1CC[C@@H](CBr)N1 CS-B0460 [0,1,0,1,0,0|2,0,0]=4 926 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [0,1,0,1,0,0|2,0,0]=4 927 B8R1.1 O=C1CC[C@H](CO)N1 CS-W001840 [0,1,0,1,0,0|2,0,0]=4 928 B8R1.1 O=C1NC(CO)CO1 CS-0309754 [0,1,0,1,0,0|1,0,0]=3 929 B8R1.1 O=C1NCC(CO)O1 CS-0113076 [0,1,0,1,0,0|2,0,0]=4 930 B8R1.1 O=C1NC[C@@H](CCl)O1 CS-0186187 [0,1,0,1,0,0|2,0,0]=4 931 B8R1.1 O=C1NC[C@@H](CO)O1 CS-0067235 [0,1,0,1,0,0|2,0,0]=4 932 B8R1.1 O=C1NC[C@H](CCl)O1 CS-0436811 [0,1,0,1,0,0|2,0,0]=4 933 B8R1.1 O=C1NC[C@H](CO)O1 CS-0131343 [0,1,0,1,0,0|2,0,0]=4 934 B8R1.1 O=C1N[C@@H](CF)CO1 CS-0256092 [0,1,0,1,0,0|1,0,0]=3 935 B8R1.1 O=C1N[C@@H](CI)CO1 CS-0149725 [0,1,0,1,0,0|1,0,0]=3 936 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [0,1,0,1,0,0|1,0,0]=3 937 B8R1.1 O=C1N[C@H](CO)CO1 CS-0216909 [0,1,0,1,0,0|1,0,0]=3 938 B8R1.1 O=C1OCC(CO)O1 CS-0158426 [0,1,0,1,0,0|1,0,0]=3 939 B8R1.4 CC1=CC(=O)CCC1 CS-0128362 [0,1,0,1,0,0|1,0,0]=3 940 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [0,1,0,1,0,0|1,0,0]=3 941 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [0,1,0,1,0,0|1,0,0]=3 942 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [0,1,0,1,0,0|1,0,0]=3 943 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [0,1,0,1,0,0|0,0,0]=2 944 B8R1.4 CC1COCC(=O)N1 CS-0146686 [0,1,0,1,0,0|1,0,0]=3 945 B8R1.4 CN1CCNC(=O)C1 CS-W003814 [0,1,0,1,0,0|2,0,0]=4 946 B8R1.4 CN1CCOC(=O)C1 CS-W001837 [0,1,0,1,0,0|1,0,0]=3 947 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [0,1,0,1,0,0|1,0,0]=3 948 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [0,1,0,1,0,0|1,0,0]=3 949 B8R1.4 C[C@@H]1COCC(=O)N1 CS-0059832 [0,1,0,1,0,0|1,0,0]=3 950 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [0,1,0,1,0,0|1,0,0]=3 951 B8R1.4 C[C@H]1COCC(=O)N1 CS-W023097 [0,1,0,1,0,0|1,0,0]=3 952 B8R1.4 NC1=CC(=O)CCC1 CS-0032855 [0,1,0,1,0,0|1,0,1]=4 953 B8R1.4 NC1CCNC(=O)C1 CS-0051036 [0,1,0,1,0,0|1,0,0]=3 954 B8R1.4 O=C1C=C(Cl)CCC1 CS-0180958 [0,1,0,1,0,0|1,0,1]=4 955 B8R1.4 O=C1CC(O)CCN1 CS-W003628 [0,1,0,1,0,0|1,0,0]=3 956 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [0,1,0,1,0,0|1,0,1]=4 957 B8R1.4 O=C1CCCC(=O)N1 CS-W023103 [0,1,0,1,0,0|1,0,1]=4 958 B8R1.4 O=C1COCC(=O)O1 CS-0108764 [0,1,0,1,0,0|1,0,1]=4 959 B8R1.4 O=C1C[C@@H](O)CCN1 CS-W021175 [0,1,0,1,0,0|1,0,0]=3 960 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [0,1,0,1,0,0|1,0,0]=3 961 B8R1.18 CC1=C(C)OC(=O)O1 CS-W013644 [0,1,0,1,0,0|1,0,1]=4 962 B8R1.18 CC1CC(=O)OC1=O CS-Z0015 [0,1,0,1,0,0|0,0,1]=3 963 B8R1.18 CN1CC(=O)OC1=O CS-0109855 [0,1,0,1,0,0|1,0,1]=4 964 B8R1.18 CN1CC(N)CC1=O CS-0051054 [0,1,0,1,0,0|1,0,0]=3 965 B8R1.18 CN1CC(N)CC1=O CS-0075445 [0,1,0,1,0,0|1,0,0]=3 966 B8R1.40 NCC(=O)NC1CC1 CS-0077363 [0,1,0,1,0,0|2,0,0]=4 967 B8R1.40 O=C(CBr)NC1CC1 CS-0627309 [0,1,0,1,0,0|2,0,0]=4 968 B8R1.51 CC1(C)CCC(=O)C1 CS-W018408 [0,1,0,1,0,0|1,0,0]=3 969 B8R1.51 CC1(C)CCC(=O)N1 CS-W022267 [0,1,0,1,0,0|2,0,0]=4 970 B8R1.51 CC1(C)CCC(=O)O1 CS-0061120 [0,1,0,1,0,0|2,0,0]=4 971 B8R1.51 CC1(C)CNC(=O)O1 CS-0139215 [0,1,0,1,0,0|2,0,0]=4 972 B8R1.51 CC1(C)COC(=S)N1 CS-0137631 [0,1,0,1,0,0|1,1,0]=4 973 B8R1.51 CC1(C)COC(O)=N1 CS-W011238 [0,1,0,1,0,0|1,0,1]=4 974 B8R1.51 CC1=NC(C)(C)CO1 CS-0204303 [0,1,0,1,0,0|2,0,0]=4 975 B8R1.51 CC1COS(=O)(=O)O1 CS-0208009 [0,1,0,1,0,0|2,0,0]=4 976 B8R1.51 C[C@@H]1COS(=O)(=O)O1 CS-0084570 [0,1,0,1,0,0|2,0,0]=4 977 B8R1.51 C[C@H]1COS(=O)(=O)O1 CS-0155182 [0,1,0,1,0,0|2,0,0]=4 978 B8R1.2 BrCC1CCCCO1 CS-0214963 [0,1,0,1,0,0|1,0,1]=4 979 B8R1.2 C#CC1=CCCCC1 CS-0186341 [0,1,0,1,0,0|2,0,0]=4 980 B8R1.2 COC1=NCCCC1 CS-0150206 [0,1,0,1,0,0|1,0,0]=3 981 B8R1.2 COC1CCCCO1 CS-0197358 [0,1,0,1,0,0|0,0,2]=4 982 B8R1.2 COC1CCCNC1 CS-0051284 [0,1,0,1,0,0|1,0,1]=4 983 B8R1.2 COC1CCCNC1 CS-0150202 [0,1,0,1,0,0|1,0,1]=4 984 B8R1.2 COC1CCNCC1 CS-0040128 [0,1,0,1,0,0|1,0,1]=4 985 B8R1.2 COC1CCNCC1 CS-W005038 [0,1,0,1,0,0|1,0,1]=4 986 B8R1.2 CO[C@@H]1CCCNC1 CS-0053772 [0,1,0,1,0,0|1,0,1]=4 987 B8R1.2 CO[C@H]1CCCNC1 CS-0053262 [0,1,0,1,0,0|1,0,1]=4 988 B8R1.2 ICC1CCCCO1 CS-0058218 [0,1,0,1,0,0|1,0,1]=4 989 B8R1.2 N#CC1=CCCCC1 CS-0155409 [0,1,0,1,0,0|2,0,0]=4 990 B8R1.2 NOC1CCCCO1 CS-W007325 [0,1,0,1,0,0|0,0,2]=4 991 B8R1.2 O=CC1=CCCOC1 CS-W005965 [0,1,0,1,0,0|2,0,0]=4 992 B8R1.2 O=CN1CCCCC1 CS-W016610 [0,1,0,1,0,0|2,0,0]=4 993 B8R1.2 OCC1CCCCO1 CS-0034490 [0,1,0,1,0,0|0,0,2]=4 994 B8R1.3 CC1=NNC(=O)CC1 CS-W011268 [0,1,0,1,0,0|2,0,0]=4 995 B8R1.3 CC1CCC(=O)CC1 CS-W013656 [0,1,0,1,0,0|1,0,0]=3 996 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [0,1,0,1,0,0|1,0,0]=3 997 B8R1.3 CC1CNC(=O)CO1 CS-0444103 [0,1,0,1,0,0|1,0,0]=3 998 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,1,0,1,0,0|1,0,0]=3 999 B8R1.3 C[C@@H]1CNC(=O)CO1 CS-0478990 [0,1,0,1,0,0|1,0,0]=3 1000 B8R1.3 C[C@@H]1CO[C@H](C)CN1 CS-0158230 [0,1,0,1,0,0|1,0,1]=4 1001 B8R1.3 C[C@H]1CNC(=O)CO1 CS-0478989 [0,1,0,1,0,0|1,0,0]=3 1002 B8R1.3 C[C@H]1CO[C@@H](C)CN1 CS-W021076 [0,1,0,1,0,0|1,0,1]=4 1003 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,1,0,1,0,0|1,0,0]=3 1004 B8R1.3 NC1CCC(=O)NC1 CS-0050676 [0,1,0,1,0,0|1,0,0]=3 1005 B8R1.3 N[C@H]1CCC(=O)NC1 CS-0185259 [0,1,0,1,0,0|1,0,0]=3 1006 B8R1.3 O=C1CCC(=O)CC1 CS-W011270 [0,1,0,1,0,0|1,0,1]=4 1007 B8R1.3 O=C1CCC(O)CC1 CS-D0911 [0,1,0,1,0,0|1,0,0]=3 1008 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,1,0,1,0,0|1,0,0]=3 1009 B8R1.3 O=C1CCS(=O)CC1 CS-0188184 [0,1,0,1,0,0|2,0,0]=4 1010 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,1,0,1,0,0|1,0,0]=3 1011 B8R1.3 O=C1COC(=O)CO1 CS-0046191 [0,1,0,1,0,0|1,0,1]=4 1012 B8R1.5 C=C1CCCNC1=O CS-0312427 [0,1,0,1,0,0|1,0,1]=4 1013 B8R1.5 CC1=NCCCN1C CS-W021273 [0,1,0,1,0,0|2,0,0]=4 1014 B8R1.5 CC1CCCNC1=O CS-0186670 [0,1,0,1,0,0|1,0,0]=3 1015 B8R1.5 CC1CNCCC1=O CS-D0046 [0,1,0,1,0,0|1,0,0]=3 1016 B8R1.5 CC1CNCCC1=O CS-D0300 [0,1,0,1,0,0|1,0,0]=3 1017 B8R1.5 CC1COCCC1=O CS-W003860 [0,1,0,1,0,0|1,0,0]=3 1018 B8R1.5 CC1NCCNC1=O CS-0046850 [0,1,0,1,0,0|2,0,0]=4 1019 B8R1.5 CN1CCCNC1=O CS-0068150 [0,1,0,1,0,0|1,0,0]=3 1020 B8R1.5 CN1CCNCC1=O CS-0052424 [0,1,0,1,0,0|1,0,0]=3 1021 B8R1.5 CN1CCNCC1=O CS-D0697 [0,1,0,1,0,0|1,0,0]=3 1022 B8R1.5 CN1CCOCC1=O CS-0145226 [0,1,0,1,0,0|1,0,0]=3 1023 B8R1.5 C[C@@H]1NCCNC1=O CS-0130514 [0,1,0,1,0,0|2,0,0]=4 1024 B8R1.5 C[C@H]1NCCNC1=O CS-0042202 [0,1,0,1,0,0|2,0,0]=4 1025 B8R1.5 NC1CCCCC1=O CS-0099232 [0,1,0,1,0,0|1,0,0]=3 1026 B8R1.5 NC1CCCN=C1O CS-W005854 [0,1,0,1,0,0|1,0,1]=4 1027 B8R1.5 NC1CCCNC1=O CS-D0182 [0,1,0,1,0,0|1,0,0]=3 1028 B8R1.5 N[C@@H]1CCCNC1=O CS-0102181 [0,1,0,1,0,0|1,0,0]=3 1029 B8R1.5 N[C@H]1CCCNC1=O CS-0112427 [0,1,0,1,0,0|1,0,0]=3 1030 B8R1.5 O=C1CCCCC1=O CS-W007347 [0,1,0,1,0,0|1,0,0]=3 1031 B8R1.5 O=C1CCCCC1Cl CS-W013402 [0,1,0,1,0,0|1,0,0]=3 1032 B8R1.5 O=C1CCCCC1O CS-0262973 [0,1,0,1,0,0|1,0,0]=3 1033 B8R1.5 O=C1CCNCC1F CS-0044438 [0,1,0,1,0,0|2,0,0]=4 1034 B8R1.5 O=C1CCOCC1Br CS-0039271 [0,1,0,1,0,0|2,0,0]=4 1035 B8R1.5 O=C1CCOCC1F CS-0051355 [0,1,0,1,0,0|2,0,0]=4 1036 B8R1.5 O=C1NCCCC1O CS-W008630 [0,1,0,1,0,0|1,0,0]=3 1037 B8R1.22 BrC1=CCCCCC1 CS-0448697 [0,1,0,1,0,0|2,0,0]=4 1038 B8R1.22 C=C1OCCCCO1 CS-W006464 [0,1,0,1,0,0|1,0,0]=3 1039 B8R1.22 O=C1C=CCCCC1 CS-W007594 [0,1,0,1,0,0|1,0,0]=3 1040 B8R1.22 O=C1CCCCCN1 CS-W011258 [0,1,0,1,0,0|1,0,0]=3 1041 B8R1.22 O=C1CCCCNC1 CS-0155246 [0,1,0,1,0,0|1,0,0]=3 1042 B8R1.22 O=C1CCCNCC1 CS-W001845 [0,1,0,1,0,0|1,0,0]=3 1043 B8R1.22 O=C1CCNCCN1 CS-W003673 [0,1,0,1,0,0|1,0,0]=3 1044 B8R1.22 O=C1CCOCCN1 CS-W021289 [0,1,0,1,0,0|1,0,0]=3 1045 B8R1.22 O=C1COCCCN1 CS-0037454 [0,1,0,1,0,0|1,0,0]=3 1046 B8R1.22 O=C1OCCCCO1 CS-0665438 [0,1,0,1,0,0|0,0,0]=2 1047 B8R1.22 OC1=NCCNCC1 CS-W011246 [0,1,0,1,0,0|1,0,1]=4 1048 B8R1.38 CNC(=O)C1CNC1 CS-0184861 [0,1,0,1,0,0|1,0,0]=3 1049 B8R1.38 COC(=O)C1CCC1 CS-W013640 [0,1,0,1,0,0|0,0,0]=2 1050 B8R1.38 COC(=O)C1CNC1 CS-D1541 [0,1,0,1,0,0|0,0,0]=2 1051 B8R1.38 COC(=O)C1COC1 CS-0045513 [0,1,0,1,0,0|0,0,0]=2 1052 B8R1.38 O=C(CCl)N1CCC1 CS-0054578 [0,1,0,1,0,0|2,0,0]=4 1053 B8R1.50 CC1C(=O)CCC1=O CS-W013660 [0,1,0,1,0,0|1,0,1]=4 1054 B8R1.50 CC1CCC(=O)C1=O CS-W011271 [0,1,0,1,0,0|1,0,1]=4 1055 B8R1.50 CN1C(=O)CCC1=O CS-0151201 [0,1,0,1,0,0|1,0,1]=4 1056 B8R1.50 CN1CCC(=O)C1=O CS-0139148 [0,1,0,1,0,0|1,0,1]=4 1057 B8R1.50 CN1CCC(N)C1=O CS-0133775 [0,1,0,1,0,0|1,0,0]=3 1058 B8R1.50 CN1CCN(C)C1=O CS-W008767 [0,1,0,1,0,0|2,0,0]=4 1059 B8R1.50 NC1CCN(O)C1=O CS-0200048 [0,1,0,1,0,0|2,0,0]=4 1060 B8R1.50 O=C1COC(=O)C1Cl CS-0155475 [0,1,0,1,0,0|1,0,1]=4 1061 B8R1.50 O=C1OC[C@@H](O)[C@H]1O CS-0157912 [0,1,0,1,0,0|1,0,0]=3 1062 B8R1.19 CC1(C)CCCC1=O CS-0040450 [0,1,0,1,0,0|1,0,0]=3 1063 B8R1.19 CC1(C)CCNC1=O CS-0046646 [0,1,0,1,0,0|2,0,0]=4 1064 B8R1.37 CCOC(=N)C1CC1 CS-0122277 [0,1,0,1,0,0|1,0,0]=3 1065 B8R1.37 N#CCC(=O)C1CC1 CS-0006959 [0,1,0,1,0,0|1,0,1]=4 1066 B8R1.37 O=C(OCCl)C1CC1 CS-0723020 [0,1,0,1,0,0|0,0,0]=2 1067 B8R1.54 O=C(O)C(=O)C1CC1 CS-W006124 [0,1,0,1,0,0|2,0,0]=4 1068 B8R1.8 CCCC1=NCCN1 CS-0119918 [0,1,0,1,0,0|2,0,0]=4 1069 B8R1.8 COC[C@@H]1CCCN1 CS-W002057 [0,1,0,1,0,0|1,0,1]=4 1070 B8R1.8 COC[C@H]1CCCN1 CS-W002305 [0,1,0,1,0,0|1,0,1]=4 1071 B8R1.11 C=CN1CCCC1=O CS-W020981 [0,1,0,1,0,0|1,0,1]=4 1072 B8R1.11 CCC1CCCC1=O CS-0152470 [0,1,0,1,0,0|1,0,0]=3 1073 B8R1.11 CCN1CCCC1=O CS-W013650 [0,1,0,1,0,0|1,0,0]=3 1074 B8R1.11 N#CC1CCCC1=O CS-W005103 [0,1,0,1,0,0|1,0,1]=4 1075 B8R1.11 N#CC1COCC1=O CS-0050786 [0,1,0,1,0,0|1,0,1]=4 1076 B8R1.11 O=C1CCC=C1CO CS-0570228 [0,1,0,1,0,0|1,0,1]=4 1077 B8R1.11 O=C1CCCC1CO CS-0136671 [0,1,0,1,0,0|1,0,0]=3 1078 B8R1.11 O=C1NCCC1CO CS-0051681 [0,1,0,1,0,0|2,0,0]=4 1079 B8R1.11 O=CN1CCCC1=O CS-0136637 [0,1,0,1,0,0|1,0,1]=4 1080 B8R1.39 COC(=O)C1(C)CO1 CS-0109314 [0,1,0,1,0,0|1,0,0]=3 1081 B8R1.39 COC(=O)C1(N)CC1 CS-0044090 [0,1,0,1,0,0|0,0,0]=2 1082 B8R1.39 COC(=O)C1(N)CC1 CS-W008219 [0,1,0,1,0,0|0,0,0]=2 1083 B8R1.39 COC(=O)C1(O)CC1 CS-W005559 [0,1,0,1,0,0|0,0,0]=2 1084 B8R1.39 O=C(CCl)C1(Cl)CC1 CS-0186595 [0,1,0,1,0,0|2,0,0]=4 1085 B8R1.72 N=S1(=O)CCCCC1 CS-0134127 [0,1,0,1,0,0|2,0,0]=4 1086 B8R1.72 O=S1(=O)CCCCN1 CS-W005956 [0,1,0,1,0,0|2,0,0]=4 1087 B8R1.72 O=S1(=O)CCCCO1 CS-W018691 [0,1,0,1,0,0|1,0,0]=3 1088 B8R2.18 O=C1CC2CC2C1 CS-0036289 [0,0,0,2,0,0|1,0,0]=3