0 B6R0.1 C#CC(=O)NCC CS-0168077 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C=CC(=O)NCC CS-W013719 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 C=CCC(=O)OC CS-0158011 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.1 CC#CC(=O)OC CS-0066219 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.1 CCC(=O)COC CS-0213932 [0,0,0,0,0,0|1,1,0]=2 5 B6R0.1 CCCC(=O)NN CS-0152447 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.1 CCCC(Cl)CC CS-0102884 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 CCNC(=O)CBr CS-0239382 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.1 CCOC(=O)C#N CS-0022374 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.1 CCOC(=O)CN CS-W020007 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.1 CCOC(=O)CO CS-W019892 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.1 CCOC(=O)NN CS-W008412 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.1 CNC(=O)CC#N CS-W018827 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.1 CNC(=O)CCCl CS-0143787 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.1 CNC(=O)CCO CS-0188403 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.1 CNC(C)COC CS-0301311 [0,0,0,0,0,0|2,1,1]=4 16 B6R0.1 CNCC(=O)O[Na] CS-0077129 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.1 COC(=O)C#CBr CS-0043861 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.1 COC(=O)C#CI CS-0513737 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.1 COC(=O)CC#N CS-W016657 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.1 COC(=O)CCBr CS-W008728 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.1 COC(=O)CCCl CS-0131786 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.1 COC(=O)CCI CS-0615889 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.1 COC(=O)CCN CS-W007648 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.1 COC(=O)CCO CS-0022864 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.1 COC(=O)CCS CS-0000049 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.1 COC(=O)OCCl CS-0067504 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.1 COC(=O)\C=C/I CS-0150951 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.1 COC(=O)\C=C\I CS-0042162 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.1 COC(C)CCO CS-W013686 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.1 COCC(=O)NN CS-W005634 [0,0,0,0,0,0|2,1,0]=3 31 B6R0.1 N#CCC(=O)NN CS-4488 [0,0,0,0,0,0|4,0,0]=4 32 B6R0.1 N#CCC(=O)O[Na] CS-0187634 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.1 NNC(=O)CCS CS-0513962 [0,0,0,0,0,0|4,0,0]=4 34 B5R0.1 C#CCC(=O)O CS-W004784 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.1 C=CCC(=O)O CS-0069849 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.1 CC#CC(=O)O CS-W007936 [1,0,0,0,0,0|1,0,1]=3 37 B5R0.1 CC(=O)CCCl CS-W022162 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 CC(=O)CCN CS-0209803 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 CC(=O)NCO CS-0061075 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 CC(=O)OCBr CS-0090812 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 CC(=O)OCCl CS-0139458 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 CCCB(O)O CS-W007470 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 CCCC(=N)N CS-W013544 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CCCC(=O)O CS-0977378 [1,0,0,0,0,0|1,0,0]=2 45 B5R0.1 CCCC(N)=O CS-0130522 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 CCC[C@@H](C)N CS-0162182 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 CCC[C@H](C)N CS-W006528 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 CCNC(N)=O CS-W011351 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.1 CCOC(C)=N CS-W008601 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.1 CCOC(N)=O CS-4731 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.1 CNCC(=O)O CS-W013507 [1,0,0,0,0,0|1,0,0]=2 52 B5R0.1 CNCC(=O)O CS-W018511 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.1 CNCC(C)O CS-0216704 [1,0,0,0,0,0|1,0,2]=4 54 B5R0.1 CNCC(N)=O CS-W011178 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 COCC(=N)N CS-W003564 [1,0,0,0,0,0|2,1,0]=4 56 B5R0.1 COCC(=O)O CS-W020123 [1,0,0,0,0,0|0,1,0]=2 57 B5R0.1 COC[C@@H](C)N CS-W019198 [1,0,0,0,0,0|1,1,1]=4 58 B5R0.1 COC[C@H](C)N CS-0148795 [1,0,0,0,0,0|1,1,1]=4 59 B5R0.1 COC[C@H](C)O CS-0031378 [1,0,0,0,0,0|0,1,2]=4 60 B5R0.1 CSCC(=O)O CS-0015159 [1,0,0,0,0,0|0,0,0]=1 61 B5R0.1 CSCC(N)=O CS-0150088 [1,0,0,0,0,0|1,0,0]=2 62 B5R0.1 CSCS(C)=O CS-0146450 [1,0,0,0,0,0|1,0,0]=2 63 B5R0.1 C\C=C\C(=O)O CS-0017976 [1,0,0,0,0,0|1,0,1]=3 64 B5R0.1 C\C=C\C(C)=O CS-0022376 [1,0,0,0,0,0|1,0,1]=3 65 B5R0.1 C\C=C\C(C)=O CS-0513711 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.1 N#CCC(=O)[O-] CS-0162555 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 N=C(O)CCN CS-W007497 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.1 NC(=O)CCBr CS-0046169 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.1 NC(=O)CCCl CS-0204808 [1,0,0,0,0,0|3,0,0]=4 70 B5R0.1 NC(=O)CCO CS-0205185 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.1 NCCC(=O)O CS-0668359 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.1 NCCC(=O)O CS-W020126 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 NCCS(=O)O CS-6985 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.1 NOCC(=O)O CS-8158 [1,0,0,0,0,0|1,1,0]=3 75 B5R0.1 O=C(O)CCF CS-0038385 [1,0,0,0,0,0|2,0,0]=3 76 B5R0.1 O=C(O)CCI CS-0204563 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.1 O=C(O)CCO CS-0147832 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.1 O=C(O)\C=C/Cl CS-0196837 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.1 O=C(O)\C=C/I CS-0668652 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.1 O=C(O)\C=C\Br CS-0063842 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.1 O=C(O)\C=C\I CS-0092724 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.2 CCCCON CS-0106180 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.2 COCCC#N CS-0030563 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.2 COCCCBr CS-W010945 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.2 COCCNN CS-0249520 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.2 CSCCCO CS-0015993 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.2 C\C=C\CCO CS-0162245 [1,0,0,0,0,0|3,0,0]=4 88 B5R0.3 C#CC(=O)NC CS-0202683 [1,0,0,0,0,0|1,0,2]=4 89 B5R0.3 C#CC(=O)O[Na] CS-0620485 [1,0,0,0,0,0|1,0,2]=4 90 B5R0.3 C=CC(=O)NC CS-0134564 [1,0,0,0,0,0|1,0,2]=4 91 B5R0.3 C=CC(=O)O[K] CS-0196459 [1,0,0,0,0,0|1,0,2]=4 92 B5R0.3 CCC(=N)NO CS-D0340 [1,0,0,0,0,0|3,0,0]=4 93 B5R0.3 CCC(=O)CBr CS-0131119 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.3 CCC(=O)CN CS-W005374 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.3 CCC(=O)CO CS-W005327 [1,0,0,0,0,0|1,1,0]=3 96 B5R0.3 CCC(=O)NC CS-0179730 [1,0,0,0,0,0|1,0,0]=2 97 B5R0.3 CCC(=O)NN CS-0206618 [1,0,0,0,0,0|2,0,0]=3 98 B5R0.3 CCC(=O)O[K] CS-0019431 [1,0,0,0,0,0|1,0,0]=2 99 B5R0.3 CCC(=O)O[Na] CS-0013802 [1,0,0,0,0,0|1,0,0]=2 100 B5R0.3 CCC(Br)CC CS-0015742 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.3 CCC(N)CC CS-0128806 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.3 CCC(O)CC CS-0128838 [1,0,0,0,0,0|1,0,2]=4 103 B5R0.3 CCS(=O)CC CS-0199213 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.3 CCS(=O)O[Na] CS-0020098 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.3 CNC(=O)CBr CS-0023001 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.3 CNC(=O)CCl CS-W007769 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.3 CNC(=O)CI CS-0244983 [1,0,0,0,0,0|2,0,0]=3 108 B5R0.3 CNC(=O)CN CS-0008246 [1,0,0,0,0,0|2,0,0]=3 109 B5R0.3 CNC(=O)CN CS-0130384 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.3 CNC(=S)NC CS-0071975 [1,0,0,0,0,0|2,1,0]=4 111 B5R0.3 COC(=N)CCl CS-0150960 [1,0,0,0,0,0|2,0,0]=3 112 B5R0.3 COC(=O)CI CS-0235696 [1,0,0,0,0,0|1,0,0]=2 113 B5R0.3 COC(=O)CN CS-W018508 [1,0,0,0,0,0|1,0,0]=2 114 B5R0.3 COC(=O)CO CS-W004068 [1,0,0,0,0,0|0,1,0]=2 115 B5R0.3 COC(=O)NN CS-0015902 [1,0,0,0,0,0|2,0,0]=3 116 B5R0.3 COC(=O)SCl CS-0313613 [1,0,0,0,0,0|1,0,0]=2 117 B5R0.3 COS(=O)OC CS-0230894 [1,0,0,0,0,0|1,1,0]=3 118 B5R0.3 CO[C@@H](C)CN CS-W021167 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.3 CO[C@@H](C)CO CS-0096324 [1,0,0,0,0,0|1,1,1]=4 120 B5R0.3 CO[C@H](C)CN CS-0148788 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.3 CO[C@H](C)CN CS-0613352 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.3 CO[C@H](C)CO CS-W011349 [1,0,0,0,0,0|1,1,1]=4 123 B5R0.3 CSC(=N)NN CS-0105940 [1,0,0,0,0,0|3,0,0]=4 124 B5R0.3 CSC(=S)NN CS-0033768 [1,0,0,0,0,0|2,1,0]=4 125 B5R0.3 NCC(=O)O[Na] CS-W016662 [1,0,0,0,0,0|2,0,0]=3 126 B5R0.3 NNC(=O)CCl CS-0199719 [1,0,0,0,0,0|3,0,0]=4 127 B5R0.3 NNC(=O)CO CS-W006527 [1,0,0,0,0,0|2,1,0]=4 128 B5R0.3 O=C(CBr)CBr CS-W020932 [1,0,0,0,0,0|3,0,0]=4 129 B5R0.3 O=C(CI)O[Na] CS-0014819 [1,0,0,0,0,0|2,0,0]=3 130 B5R0.3 O=C(CO)CO CS-W019614 [1,0,0,0,0,0|2,1,0]=4 131 B5R0.3 O=C(CS)O[Na] CS-0197966 [1,0,0,0,0,0|1,0,0]=2 132 B5R0.3 O=C(OO)[Ag][Ag] CS-0015156 [1,0,0,0,0,0|3,0,0]=4 133 B5R0.3 O=S(CO)O[Na] CS-0046582 [1,0,0,0,0,0|2,1,0]=4 134 B7R0.2 CC(C)CC(=O)NN CS-0343165 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.2 CC(O)CC(=O)O[Na] CS-W011168 [0,1,0,0,0,0|2,0,0]=3 136 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,1,0,0,0,0|2,0,0]=3 137 B7R0.2 CN(C)CC(=O)NN CS-0199445 [0,1,0,0,0,0|3,0,0]=4 138 B7R0.2 CN(C)CC(=O)NN CS-0206604 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.2 CNC(=O)CC(=O)O CS-0139438 [0,1,0,0,0,0|3,0,0]=4 140 B7R0.2 COC(=O)CC(=O)O CS-W007829 [0,1,0,0,0,0|2,0,0]=3 141 B7R0.2 COC(=O)CC(C)N CS-0147336 [0,1,0,0,0,0|1,0,0]=2 142 B7R0.2 COC(=O)CC(N)=O CS-W022821 [0,1,0,0,0,0|2,0,0]=3 143 B7R0.2 COC(=O)C[C@@H](C)N CS-0003933 [0,1,0,0,0,0|1,0,0]=2 144 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [0,1,0,0,0,0|1,0,0]=2 145 B7R0.2 COC(=O)C[C@H](C)N CS-0147334 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.2 COC(=O)C[N+](=O)[O-] CS-0130670 [0,1,0,0,0,0|2,0,0]=3 147 B7R0.2 COC(=O)\C=C(\C)N CS-W016602 [0,1,0,0,0,0|1,0,1]=3 148 B7R0.2 C[C@@H](O)CC(=O)O[Na] CS-W016567 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.2 [C@@H](C)(O)CC(=O)OC CS-W013601 [0,1,0,0,0,0|1,0,0]=2 150 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [0,1,0,0,0,0|1,0,0]=2 151 B7R0.3 C#CCCC(=O)OC CS-0137200 [0,1,0,0,0,0|1,0,1]=3 152 B7R0.3 C=CCCC(=O)OC CS-0187527 [0,1,0,0,0,0|1,0,1]=3 153 B7R0.3 C=CCOC(=O)OC CS-0040098 [0,1,0,0,0,0|1,0,1]=3 154 B7R0.3 C=C\C=C\C(=O)OC CS-0207613 [0,1,0,0,0,0|1,0,2]=4 155 B7R0.3 C=C\C=C\C(=O)OC CS-0626198 [0,1,0,0,0,0|1,0,2]=4 156 B7R0.3 CCCCC(=O)O[Na] CS-W007087 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.3 CCCNC(=O)CCl CS-0074801 [0,1,0,0,0,0|3,0,0]=4 158 B7R0.3 CCCOC(=O)OC CS-0111112 [0,1,0,0,0,0|1,0,0]=2 159 B7R0.3 CNCCC(=O)OC CS-0150994 [0,1,0,0,0,0|1,0,0]=2 160 B7R0.3 COC(=O)C#CCO CS-0029743 [0,1,0,0,0,0|1,0,1]=3 161 B7R0.3 COC(=O)CCC#N CS-W009546 [0,1,0,0,0,0|1,0,1]=3 162 B7R0.3 COC(=O)CCCBr CS-W004701 [0,1,0,0,0,0|1,0,0]=2 163 B7R0.3 COC(=O)CCCCl CS-0001466 [0,1,0,0,0,0|1,0,0]=2 164 B7R0.3 COC(=O)CCCI CS-0001467 [0,1,0,0,0,0|1,0,0]=2 165 B7R0.3 COC(=O)CCCN CS-W019991 [0,1,0,0,0,0|1,0,0]=2 166 B7R0.3 COC(=O)CCSC CS-0128902 [0,1,0,0,0,0|0,0,0]=1 167 B7R0.3 COC(=O)CNC=O CS-0187476 [0,1,0,0,0,0|1,0,1]=3 168 B7R0.3 COC(=O)\C=C\CBr CS-0146524 [0,1,0,0,0,0|1,0,1]=3 169 B7R0.3 COC(=O)\C=C\CBr CS-W008761 [0,1,0,0,0,0|1,0,1]=3 170 B7R0.3 COC(=O)\C=C\CN CS-0187948 [0,1,0,0,0,0|1,0,1]=3 171 B7R0.3 COCCC(=O)OC CS-0072438 [0,1,0,0,0,0|0,1,0]=2 172 B7R0.3 CO\C=C\C(=O)OC CS-0076974 [0,1,0,0,0,0|0,1,1]=3 173 B7R0.3 CO\C=C\C(=O)OC CS-W007972 [0,1,0,0,0,0|0,1,1]=3 174 B7R0.3 O=C(CNCO)O[Na] CS-W019206 [0,1,0,0,0,0|2,0,0]=3 175 B7R0.5 CC(C)C(=O)CC#N CS-0044094 [0,1,0,0,0,0|3,0,0]=4 176 B7R0.5 CCCC(=O)C(C)=O CS-0258819 [0,1,0,0,0,0|2,0,0]=3 177 B7R0.5 CCOC(=O)C(C)=O CS-0017821 [0,1,0,0,0,0|3,0,0]=4 178 B7R0.5 CCOC(=O)C(C)N CS-0151889 [0,1,0,0,0,0|3,0,0]=4 179 B7R0.5 CCOC(=O)[C@H](C)F CS-0670914 [0,1,0,0,0,0|3,0,0]=4 180 B7R0.5 CCOC(=O)[C@H](C)N CS-0009409 [0,1,0,0,0,0|3,0,0]=4 181 B7R0.5 CN(C)C(=O)CC#N CS-W013659 [0,1,0,0,0,0|3,0,0]=4 182 B7R0.5 COCC(=O)N(C)C CS-0356748 [0,1,0,0,0,0|1,1,0]=3 183 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [0,1,0,0,0,0|3,0,0]=4 184 B7R0.7 C#CCC(=O)OCC CS-0667023 [0,1,0,0,0,0|1,0,1]=3 185 B7R0.7 C=C=CC(=O)OCC CS-0204496 [0,1,0,0,0,0|1,0,2]=4 186 B7R0.7 C=CCC(=O)OCC CS-0147250 [0,1,0,0,0,0|1,0,1]=3 187 B7R0.7 CC#CC(=O)OCC CS-W009547 [0,1,0,0,0,0|1,0,1]=3 188 B7R0.7 CCNC(=O)CC#N CS-0141694 [0,1,0,0,0,0|3,0,0]=4 189 B7R0.7 CCNC(=O)CCCl CS-0151980 [0,1,0,0,0,0|3,0,0]=4 190 B7R0.7 CCOC(=O)C#CBr CS-W022671 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,1,0,0,0,0|2,0,0]=3 192 B7R0.7 CCOC(=O)CCI CS-W002223 [0,1,0,0,0,0|2,0,0]=3 193 B7R0.7 CCOC(=O)CCN CS-W019943 [0,1,0,0,0,0|2,0,0]=3 194 B7R0.7 CCOC(=O)CCO CS-0139545 [0,1,0,0,0,0|2,0,0]=3 195 B7R0.7 CCOC(=O)CNC CS-W020595 [0,1,0,0,0,0|1,0,0]=2 196 B7R0.7 CCOC(=O)CNN CS-W002085 [0,1,0,0,0,0|2,0,0]=3 197 B7R0.7 CCOC(=O)COC CS-0008463 [0,1,0,0,0,0|0,1,0]=2 198 B7R0.7 CCOC(=O)CSC CS-0133049 [0,1,0,0,0,0|0,0,0]=1 199 B7R0.7 CCOC(=O)OCCl CS-W005334 [0,1,0,0,0,0|2,0,0]=3 200 B7R0.7 COCC(=O)COC CS-W007070 [0,1,0,0,0,0|0,1,0]=2 201 B7R0.7 COCC(N)COC CS-W005488 [0,1,0,0,0,0|1,1,1]=4 202 B7R0.7 COCC(O)COC CS-W018661 [0,1,0,0,0,0|0,1,2]=4 203 B7R0.7 O=C(CCCl)CCCl CS-W004439 [0,1,0,0,0,0|3,0,0]=4 204 B7R0.10 C=C(CO)C(=O)OC CS-W019505 [0,1,0,0,0,0|2,0,1]=4 205 B7R0.10 CCC(=O)C(=O)CC CS-W013639 [0,1,0,0,0,0|2,0,1]=4 206 B7R0.10 CCC(=O)C(=O)O[Na] CS-W005355 [0,1,0,0,0,0|2,0,1]=4 207 B7R0.10 CCC(=O)N(C)OC CS-0122993 [0,1,0,0,0,0|2,1,0]=4 208 B7R0.10 CCC(N)C(=O)OC CS-W018067 [0,1,0,0,0,0|1,0,0]=2 209 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [0,1,0,0,0,0|1,0,0]=2 210 B7R0.10 CC[C@@H](O)C(=O)OC CS-0099841 [0,1,0,0,0,0|1,0,0]=2 211 B7R0.10 CC[C@H](N)C(=O)OC CS-0031391 [0,1,0,0,0,0|1,0,0]=2 212 B7R0.10 CC[C@H](O)C(=O)OC CS-0138542 [0,1,0,0,0,0|1,0,0]=2 213 B7R0.10 CN[C@@H](C)C(=O)OC CS-0068182 [0,1,0,0,0,0|1,0,0]=2 214 B7R0.10 COC(=O)C(=O)CBr CS-W008779 [0,1,0,0,0,0|2,0,1]=4 215 B7R0.10 COC(=O)C(=O)NN CS-0265222 [0,1,0,0,0,0|2,0,1]=4 216 B7R0.10 COC(=O)C(=O)O[K] CS-0150929 [0,1,0,0,0,0|1,1,1]=4 217 B7R0.10 COC(=O)C(Br)CO CS-0187469 [0,1,0,0,0,0|2,0,0]=3 218 B7R0.10 COC(=O)C(C)CN CS-0253549 [0,1,0,0,0,0|2,0,0]=3 219 B7R0.10 COC(=O)C(C)CO CS-0697290 [0,1,0,0,0,0|2,0,0]=3 220 B7R0.10 COC(=O)C(Cl)OC CS-0698983 [0,1,0,0,0,0|0,1,0]=2 221 B7R0.10 COC(=O)C(N)CO CS-W014338 [0,1,0,0,0,0|2,0,0]=3 222 B7R0.10 COC(=O)C(N)CS CS-0150913 [0,1,0,0,0,0|2,0,0]=3 223 B7R0.10 COC(=O)C(O)CN CS-0042395 [0,1,0,0,0,0|2,0,0]=3 224 B7R0.10 COC(=O)C(O)CO CS-0454216 [0,1,0,0,0,0|2,0,0]=3 225 B7R0.10 COC(=O)[C@@H](C)CBr CS-0130400 [0,1,0,0,0,0|2,0,0]=3 226 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [0,1,0,0,0,0|2,0,0]=3 227 B7R0.10 COC(=O)[C@@H](N)CO CS-B1301 [0,1,0,0,0,0|2,0,0]=3 228 B7R0.10 COC(=O)[C@@H](N)CS CS-4557 [0,1,0,0,0,0|2,0,0]=3 229 B7R0.10 COC(=O)[C@@H](O)CN CS-0131698 [0,1,0,0,0,0|2,0,0]=3 230 B7R0.10 COC(=O)[C@@H](O)CO CS-W000794 [0,1,0,0,0,0|2,0,0]=3 231 B7R0.10 COC(=O)[C@H](C)CBr CS-0158189 [0,1,0,0,0,0|2,0,0]=3 232 B7R0.10 COC(=O)[C@H](C)CO CS-0019967 [0,1,0,0,0,0|2,0,0]=3 233 B7R0.10 COC(=O)[C@H](N)CCl CS-W017536 [0,1,0,0,0,0|2,0,0]=3 234 B7R0.10 COC(=O)[C@H](N)CS CS-W020211 [0,1,0,0,0,0|2,0,0]=3 235 B7R0.10 COC(=O)[C@H](O)CO CS-W023221 [0,1,0,0,0,0|2,0,0]=3 236 B7R0.10 COC(C)C(=O)NN CS-0278862 [0,1,0,0,0,0|2,1,0]=4 237 B7R0.10 [C@@H](N)(CO)C(=O)OC CS-W016249 [0,1,0,0,0,0|2,0,0]=3 238 B7R0.11 CCCS(=O)(=O)O[Na] CS-0148667 [0,1,0,0,0,0|3,0,0]=4 239 B7R0.12 COCC(OC)OC CS-0150200 [0,1,0,0,0,0|0,1,2]=4 240 B7R1.1 COC1=CSC=C1 CS-W008023 [0,0,0,1,0,0|1,0,2]=4 241 B7R1.1 COC1=NCCC1 CS-W022401 [0,0,0,1,0,0|2,0,0]=3 242 B7R1.1 COC1CCNC1 CS-0039937 [0,0,0,1,0,0|2,0,1]=4 243 B7R1.1 COC1CCNC1 CS-W004880 [0,0,0,1,0,0|2,0,1]=4 244 B7R1.1 CO[C@@H]1CCNC1 CS-0053757 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,0,0,1,0,0|2,0,1]=4 246 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,0,0,1,0,0|2,0,1]=4 247 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [0,0,0,1,0,0|2,0,1]=4 248 B7R1.2 CC1=NOC(=O)O1 CS-0460220 [0,0,0,1,0,0|3,0,0]=4 249 B7R1.2 CC1CCC(=O)O1 CS-W016654 [0,0,0,1,0,0|3,0,0]=4 250 B7R1.2 CC1CNC(=O)C1 CS-0040667 [0,0,0,1,0,0|2,0,0]=3 251 B7R1.2 CC1COC(=O)N1 CS-0181060 [0,0,0,1,0,0|2,0,0]=3 252 B7R1.2 CN1CCC(=O)C1 CS-0172438 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [0,0,0,1,0,0|3,0,0]=4 254 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [0,0,0,1,0,0|3,0,0]=4 255 B7R1.2 C[C@@H]1COC(=O)N1 CS-0158229 [0,0,0,1,0,0|2,0,0]=3 256 B7R1.2 C[C@@H]1COC(=O)O1 CS-0015926 [0,0,0,1,0,0|2,0,0]=3 257 B7R1.2 C[C@H]1CC(=O)CN1 CS-0567258 [0,0,0,1,0,0|3,0,0]=4 258 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,0,0,1,0,0|3,0,0]=4 259 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [0,0,0,1,0,0|2,0,0]=3 260 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [0,0,0,1,0,0|2,0,0]=3 261 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [0,0,0,1,0,0|2,0,0]=3 262 B7R1.2 NC1CNC(=O)C1 CS-W023257 [0,0,0,1,0,0|3,0,0]=4 263 B7R1.2 N[C@@H]1CNC(=O)C1 CS-W003954 [0,0,0,1,0,0|3,0,0]=4 264 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,0,0,1,0,0|2,0,0]=3 265 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,0,0,1,0,0|2,0,0]=3 266 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,0,0,1,0,0|3,0,0]=4 267 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,0,0,1,0,0|3,0,0]=4 268 B7R1.2 O=C1CCC(O)C1 CS-0051334 [0,0,0,1,0,0|3,0,0]=4 269 B7R1.2 O=C1CNC(=O)C1 CS-0048723 [0,0,0,1,0,0|3,0,0]=4 270 B7R1.2 O=C1COC(=O)C1 CS-W016655 [0,0,0,1,0,0|2,0,0]=3 271 B7R1.2 O=C1COC(=O)N1 CS-0005564 [0,0,0,1,0,0|3,0,0]=4 272 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,0,0,1,0,0|3,0,0]=4 273 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [0,0,0,1,0,0|3,0,0]=4 274 B7R1.2 O=C1OCC(Cl)O1 CS-0046028 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.2 O=C1OCC(F)O1 CS-0155468 [0,0,0,1,0,0|3,0,0]=4 276 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [0,0,0,1,0,0|2,0,0]=3 277 B7R1.3 BrC1=CCCCC1 CS-0155410 [0,0,0,1,0,0|3,0,0]=4 278 B7R1.3 CC1=CCCNC1 CS-0050445 [0,0,0,1,0,0|3,0,0]=4 279 B7R1.3 CC1=NCCCO1 CS-1006941 [0,0,0,1,0,0|3,0,0]=4 280 B7R1.3 CC1CNCCO1 CS-0152670 [0,0,0,1,0,0|2,0,1]=4 281 B7R1.3 CC1CNCCO1 CS-D1584 [0,0,0,1,0,0|2,0,1]=4 282 B7R1.3 C[C@@H]1CNCCO1 CS-0019313 [0,0,0,1,0,0|2,0,1]=4 283 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,0,0,1,0,0|2,0,1]=4 284 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,0,0,1,0,0|2,0,1]=4 285 B7R1.3 O=C1C=CCCN1 CS-W006454 [0,0,0,1,0,0|2,0,1]=4 286 B7R1.3 O=C1CCCCN1 CS-W022933 [0,0,0,1,0,0|2,0,0]=3 287 B7R1.3 O=C1CCCCO1 CS-W013713 [0,0,0,1,0,0|1,0,0]=2 288 B7R1.3 O=C1CCCNC1 CS-0048756 [0,0,0,1,0,0|2,0,0]=3 289 B7R1.3 O=C1CCCNC1 CS-0185548 [0,0,0,1,0,0|2,0,0]=3 290 B7R1.3 O=C1CCCOC1 CS-D1576 [0,0,0,1,0,0|1,1,0]=3 291 B7R1.3 O=C1CCCSC1 CS-D0446 [0,0,0,1,0,0|1,0,0]=2 292 B7R1.3 O=C1CCOCC1 CS-D0601 [0,0,0,1,0,0|3,0,0]=4 293 B7R1.3 O=C1CCSCC1 CS-W002007 [0,0,0,1,0,0|3,0,0]=4 294 B7R1.3 O=C1CNCCN1 CS-B0039 [0,0,0,1,0,0|2,0,0]=3 295 B7R1.3 O=C1CNCCO1 CS-0098127 [0,0,0,1,0,0|1,0,0]=2 296 B7R1.3 O=C1COCCN1 CS-D1427 [0,0,0,1,0,0|1,1,0]=3 297 B7R1.3 O=C1COCCO1 CS-0031423 [0,0,0,1,0,0|0,1,0]=2 298 B7R1.3 O=C1CSCCN1 CS-W019146 [0,0,0,1,0,0|1,0,0]=2 299 B7R1.3 O=C1NCCCO1 CS-0088044 [0,0,0,1,0,0|2,0,0]=3 300 B7R1.3 O=C1OCCCO1 CS-0155207 [0,0,0,1,0,0|2,0,0]=3 301 B7R1.3 OC1CCCCO1 CS-0015921 [0,0,0,1,0,0|1,0,2]=4 302 B7R1.3 OC1CNCCO1 CS-W006148 [0,0,0,1,0,0|1,0,2]=4 303 B7R1.3 S=C1CCCCC1 CS-0661522 [0,0,0,1,0,0|2,1,0]=4 304 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,0,0,1,0,0|2,0,1]=4 305 B7R1.4 CC1=CCCC1=O CS-0180943 [0,0,0,1,0,0|2,0,1]=4 306 B7R1.4 CC1CCNC1=O CS-W004958 [0,0,0,1,0,0|3,0,0]=4 307 B7R1.4 CC1CCOC1=O CS-0152675 [0,0,0,1,0,0|3,0,0]=4 308 B7R1.4 CC1OCCC1=O CS-W011324 [0,0,0,1,0,0|3,0,0]=4 309 B7R1.4 CC1SCCC1=O CS-W011228 [0,0,0,1,0,0|3,0,0]=4 310 B7R1.4 CN1CCCC1=O CS-0017258 [0,0,0,1,0,0|2,0,0]=3 311 B7R1.4 CN1CCCC1=S CS-W013619 [0,0,0,1,0,0|2,1,0]=4 312 B7R1.4 CN1CCNC1=O CS-W005507 [0,0,0,1,0,0|3,0,0]=4 313 B7R1.4 CN1CCOC1=O CS-W016647 [0,0,0,1,0,0|3,0,0]=4 314 B7R1.4 CN1N=CCC1=O CS-0151202 [0,0,0,1,0,0|3,0,0]=4 315 B7R1.4 NN1CCCC1=O CS-D0019 [0,0,0,1,0,0|3,0,0]=4 316 B7R1.22 COC(=O)[C@@H]1CO1 CS-0063139 [0,0,0,1,0,0|0,1,0]=2 317 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [0,0,0,1,0,0|0,1,0]=2 318 B7R1.22 NNC(=O)C1CC1 CS-D0255 [0,0,0,1,0,0|3,0,0]=4 319 B7R1.22 O=C(CO)C1CC1 CS-0230656 [0,0,0,1,0,0|3,0,0]=4 320 B7R1.22 O=C(O[K])[C@@H]1CO1 CS-0132936 [0,0,0,1,0,0|1,1,0]=3 321 B7R1.22 O=S(O[Na])C1CC1 CS-W023133 [0,0,0,1,0,0|3,0,0]=4 322 B7R1.25 COC1(C)CNC1 CS-0035135 [0,0,0,1,0,0|2,0,1]=4 323 B4R0.1 C(=O)C(=O)O CS-0031458 [2,0,0,0,0,0|0,1,1]=4 324 B4R0.1 C=C(C)CN CS-0204398 [2,0,0,0,0,0|2,0,0]=4 325 B4R0.1 C=CC(=O)O CS-0356466 [2,0,0,0,0,0|0,0,2]=4 326 B4R0.1 C=CC(=O)O CS-0356467 [2,0,0,0,0,0|0,0,2]=4 327 B4R0.1 C=CC(=O)O CS-0356469 [2,0,0,0,0,0|0,0,2]=4 328 B4R0.1 C=CC(=O)O CS-0356470 [2,0,0,0,0,0|0,0,2]=4 329 B4R0.1 C=CC(=O)O CS-0356471 [2,0,0,0,0,0|0,0,2]=4 330 B4R0.1 CC(=O)C=O CS-0031856 [2,0,0,0,0,0|0,1,1]=4 331 B4R0.1 CC(=O)CN CS-W004850 [2,0,0,0,0,0|1,0,0]=3 332 B4R0.1 CC(=O)CO CS-0017823 [2,0,0,0,0,0|0,1,0]=3 333 B4R0.1 CC(=O)NBr CS-0142503 [2,0,0,0,0,0|2,0,0]=4 334 B4R0.1 CC(=O)NN CS-D1403 [2,0,0,0,0,0|2,0,0]=4 335 B4R0.1 CC(=O)NO CS-4881 [2,0,0,0,0,0|1,1,0]=4 336 B4R0.1 CC(=O)O[Ag] CS-0082496 [2,0,0,0,0,0|1,0,0]=3 337 B4R0.1 CC(=O)O[K] CS-W020131 [2,0,0,0,0,0|1,0,0]=3 338 B4R0.1 CCB(O)O CS-W000933 [2,0,0,0,0,0|1,0,1]=4 339 B4R0.1 CCC(=N)N CS-W019290 [2,0,0,0,0,0|2,0,0]=4 340 B4R0.1 CCC(=N)S CS-W016672 [2,0,0,0,0,0|1,1,0]=4 341 B4R0.1 CCC(N)=O CS-W016688 [2,0,0,0,0,0|1,0,0]=3 342 B4R0.1 CC[C@@H](C)N CS-0379054 [2,0,0,0,0,0|1,0,1]=4 343 B4R0.1 CC[C@@H](C)O CS-0128797 [2,0,0,0,0,0|0,0,2]=4 344 B4R0.1 CC[C@H](C)N CS-0084847 [2,0,0,0,0,0|1,0,1]=4 345 B4R0.1 CNC(=N)S CS-W011347 [2,0,0,0,0,0|2,0,0]=4 346 B4R0.1 CNC(C)=O CS-0031873 [2,0,0,0,0,0|1,0,0]=3 347 B4R0.1 CNC(N)=O CS-W016687 [2,0,0,0,0,0|2,0,0]=4 348 B4R0.1 COC(=N)N CS-0114088 [2,0,0,0,0,0|2,0,0]=4 349 B4R0.1 COC(=N)N CS-W017615 [2,0,0,0,0,0|2,0,0]=4 350 B4R0.1 COC(=N)N CS-W019574 [2,0,0,0,0,0|2,0,0]=4 351 B4R0.1 COC(N)=O CS-0017839 [2,0,0,0,0,0|1,0,0]=3 352 B4R0.1 CS(=O)O[Na] CS-0019422 [2,0,0,0,0,0|2,0,0]=4 353 B4R0.1 CSC(=N)N CS-0011749 [2,0,0,0,0,0|2,0,0]=4 354 B4R0.1 CSC(=N)N CS-0134406 [2,0,0,0,0,0|2,0,0]=4 355 B4R0.1 CSC(=N)N CS-0199730 [2,0,0,0,0,0|2,0,0]=4 356 B4R0.1 NC(=O)CBr CS-W007330 [2,0,0,0,0,0|2,0,0]=4 357 B4R0.1 NC(=O)CI CS-0020050 [2,0,0,0,0,0|2,0,0]=4 358 B4R0.1 NC(=O)CO CS-W016686 [2,0,0,0,0,0|1,1,0]=4 359 B4R0.1 NCC(=O)O CS-0158475 [2,0,0,0,0,0|1,0,0]=3 360 B4R0.1 NCC(=O)O CS-0187433 [2,0,0,0,0,0|1,0,0]=3 361 B4R0.1 NCC(=O)O CS-B1641 [2,0,0,0,0,0|1,0,0]=3 362 B4R0.1 NCC(N)=O CS-0149938 [2,0,0,0,0,0|2,0,0]=4 363 B4R0.1 NCC(N)=O CS-W019695 [2,0,0,0,0,0|2,0,0]=4 364 B4R0.1 O=C(O)[Ba]O CS-0015804 [2,0,0,0,0,0|1,1,0]=4 365 B4R0.1 O=C([Co])OO CS-0111382 [2,0,0,0,0,0|2,0,0]=4 366 B4R0.1 O=C([Cu])OO CS-0188508 [2,0,0,0,0,0|2,0,0]=4 367 B4R0.1 O=CC(=O)O CS-W019807 [2,0,0,0,0,0|0,1,1]=4 368 B4R0.1 [2H]C(=O)O[Na] CS-0542325 [2,0,0,0,0,0|2,0,0]=4 369 B4R0.2 CCNC=O CS-0187584 [2,0,0,0,0,0|2,0,0]=4 370 B4R0.2 CCNCC CS-0160324 [2,0,0,0,0,0|2,0,0]=4 371 B4R0.2 CNCCO CS-0542090 [2,0,0,0,0,0|1,0,1]=4 372 B4R0.2 CNCCO CS-W008875 [2,0,0,0,0,0|1,0,1]=4 373 B4R0.2 COCC#N CS-0128800 [2,0,0,0,0,0|2,0,0]=4 374 B4R0.2 COCCBr CS-0015336 [2,0,0,0,0,0|1,0,1]=4 375 B4R0.2 COCCI CS-0139205 [2,0,0,0,0,0|1,0,1]=4 376 B4R0.2 COCCO CS-0179325 [2,0,0,0,0,0|0,1,1]=4 377 B4R0.2 COCCO CS-0200432 [2,0,0,0,0,0|0,1,1]=4 378 B4R0.2 CSCCN CS-0063136 [2,0,0,0,0,0|1,0,1]=4 379 B4R0.2 CSCCO CS-0150086 [2,0,0,0,0,0|0,0,1]=3 380 B4R0.2 CSCSC CS-W013673 [2,0,0,0,0,0|0,1,0]=3 381 B6R0.2 CC(=O)CC(N)=O CS-0134202 [1,1,0,0,0,0|2,0,0]=4 382 B6R0.2 CC(=O)CN(C)C CS-0204530 [1,1,0,0,0,0|1,0,0]=3 383 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [1,1,0,0,0,0|1,0,0]=3 384 B6R0.2 CC(=O)NC(C)C CS-M3536 [1,1,0,0,0,0|2,0,0]=4 385 B6R0.2 CC(=O)OC(C)Br CS-0135277 [1,1,0,0,0,0|2,0,0]=4 386 B6R0.2 CC(=O)[CH-]C(C)=O CS-0196895 [1,1,0,0,0,0|1,0,1]=4 387 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [1,1,0,0,0,0|1,0,1]=4 388 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085298 [1,1,0,0,0,0|1,0,1]=4 389 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085476 [1,1,0,0,0,0|1,0,1]=4 390 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0105902 [1,1,0,0,0,0|1,0,1]=4 391 B6R0.2 CC(C)=CC(=O)O CS-W011327 [1,1,0,0,0,0|1,0,1]=4 392 B6R0.2 CC(C)CC(=O)O CS-0881782 [1,1,0,0,0,0|1,0,0]=3 393 B6R0.2 CC(C)CC(=O)O CS-W013696 [1,1,0,0,0,0|1,0,0]=3 394 B6R0.2 CC(N)CC(=O)O CS-W009549 [1,1,0,0,0,0|1,0,0]=3 395 B6R0.2 CC(O)CC(=O)O CS-0062335 [1,1,0,0,0,0|1,0,0]=3 396 B6R0.2 CC(O)CC(N)=O CS-0435186 [1,1,0,0,0,0|2,0,0]=4 397 B6R0.2 CN(C)CC(=O)O CS-D1391 [1,1,0,0,0,0|1,0,0]=3 398 B6R0.2 CN(C)CC(=O)O CS-W001158 [1,1,0,0,0,0|1,0,0]=3 399 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [1,1,0,0,0,0|1,0,0]=3 400 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [1,1,0,0,0,0|1,0,0]=3 401 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [1,1,0,0,0,0|1,0,0]=3 402 B6R0.2 C\C(Cl)=C/C(=O)O CS-0834363 [1,1,0,0,0,0|1,0,1]=4 403 B6R0.2 C\C(Cl)=C\C(=O)O CS-0834361 [1,1,0,0,0,0|1,0,1]=4 404 B6R0.2 NC(=O)CC(=O)O CS-0149950 [1,1,0,0,0,0|2,0,0]=4 405 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [1,1,0,0,0,0|1,0,0]=3 406 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [1,1,0,0,0,0|1,0,0]=3 407 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [1,1,0,0,0,0|1,0,0]=3 408 B6R0.3 C(C)=C(/C)C(=O)O CS-W009553 [1,1,0,0,0,0|1,0,1]=4 409 B6R0.3 C=CC(C)C(=O)O CS-0006592 [1,1,0,0,0,0|1,0,1]=4 410 B6R0.3 C=C[C@@H](N)C(=O)O CS-0131608 [1,1,0,0,0,0|1,0,1]=4 411 B6R0.3 C=C[C@H](N)C(=O)O CS-D0476 [1,1,0,0,0,0|1,0,1]=4 412 B6R0.3 CC(C#N)C(=O)O CS-0139286 [1,1,0,0,0,0|2,0,0]=4 413 B6R0.3 CC(CBr)C(=O)O CS-W016048 [1,1,0,0,0,0|2,0,0]=4 414 B6R0.3 CC(CN)C(=O)O CS-W013690 [1,1,0,0,0,0|2,0,0]=4 415 B6R0.3 CCC(=O)C(=O)O CS-W007926 [1,1,0,0,0,0|1,0,1]=4 416 B6R0.3 CCC(=O)C(C)=O CS-W013714 [1,1,0,0,0,0|1,0,1]=4 417 B6R0.3 CCC(Br)C(N)=O CS-0152635 [1,1,0,0,0,0|2,0,0]=4 418 B6R0.3 CCC(N)C(=O)O CS-W011306 [1,1,0,0,0,0|1,0,0]=3 419 B6R0.3 CCC(N)C(N)=O CS-0197483 [1,1,0,0,0,0|2,0,0]=4 420 B6R0.3 CCC(O)C(N)=O CS-0232591 [1,1,0,0,0,0|2,0,0]=4 421 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [1,1,0,0,0,0|1,0,0]=3 422 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [1,1,0,0,0,0|1,0,0]=3 423 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [1,1,0,0,0,0|1,0,0]=3 424 B6R0.3 CC[C@@H](N)C(N)=O CS-0011806 [1,1,0,0,0,0|2,0,0]=4 425 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [1,1,0,0,0,0|1,0,0]=3 426 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [1,1,0,0,0,0|1,0,0]=3 427 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [1,1,0,0,0,0|1,0,0]=3 428 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [1,1,0,0,0,0|1,0,0]=3 429 B6R0.3 CC[C@H](N)C(N)=O CS-0011803 [1,1,0,0,0,0|2,0,0]=4 430 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [1,1,0,0,0,0|2,0,0]=4 431 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [1,1,0,0,0,0|1,0,0]=3 432 B6R0.3 CNC(=O)C(=O)O CS-0113142 [1,1,0,0,0,0|1,0,1]=4 433 B6R0.3 CNC(C)C(=O)O CS-W011307 [1,1,0,0,0,0|1,0,0]=3 434 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [1,1,0,0,0,0|1,0,0]=3 435 B6R0.3 COC(=O)C(C)=O CS-W013701 [1,1,0,0,0,0|0,1,1]=4 436 B6R0.3 COC(C)C(=O)O CS-W004806 [1,1,0,0,0,0|0,1,0]=3 437 B6R0.3 CON(C)C(C)=O CS-W001095 [1,1,0,0,0,0|1,1,0]=4 438 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [1,1,0,0,0,0|0,1,0]=3 439 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [1,1,0,0,0,0|2,0,0]=4 440 B6R0.3 C[C@@H](CN)C(=O)O CS-0062338 [1,1,0,0,0,0|2,0,0]=4 441 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [1,1,0,0,0,0|2,0,0]=4 442 B6R0.3 C[C@H](CN)C(=O)O CS-0444634 [1,1,0,0,0,0|2,0,0]=4 443 B6R0.3 C\C=C(/C)C(=O)O CS-0356606 [1,1,0,0,0,0|1,0,1]=4 444 B6R0.3 C\C=C(/C)C(=O)O CS-W013715 [1,1,0,0,0,0|1,0,1]=4 445 B6R0.3 NC(CO)C(=O)O CS-0015292 [1,1,0,0,0,0|2,0,0]=4 446 B6R0.3 NC(CS)C(=O)O CS-0201576 [1,1,0,0,0,0|2,0,0]=4 447 B6R0.3 NC(CS)C(=O)O CS-W013566 [1,1,0,0,0,0|2,0,0]=4 448 B6R0.3 NC(CS)C(=O)O CS-W014367 [1,1,0,0,0,0|2,0,0]=4 449 B6R0.3 NC(CS)C(=O)O CS-W017432 [1,1,0,0,0,0|2,0,0]=4 450 B6R0.3 NCC(F)C(=O)O CS-W011291 [1,1,0,0,0,0|2,0,0]=4 451 B6R0.3 NCC(N)C(=O)O CS-0130703 [1,1,0,0,0,0|2,0,0]=4 452 B6R0.3 NCC(N)C(=O)O CS-W014390 [1,1,0,0,0,0|2,0,0]=4 453 B6R0.3 NCC(O)C(=O)O CS-W013682 [1,1,0,0,0,0|2,0,0]=4 454 B6R0.3 NC[C@@H](N)C(=O)O CS-0311806 [1,1,0,0,0,0|2,0,0]=4 455 B6R0.3 NC[C@@H](N)C(=O)O CS-W011028 [1,1,0,0,0,0|2,0,0]=4 456 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [1,1,0,0,0,0|2,0,0]=4 457 B6R0.3 NC[C@H](N)C(=O)O CS-W014389 [1,1,0,0,0,0|2,0,0]=4 458 B6R0.3 N[C@@H](CCl)C(=O)O CS-7792 [1,1,0,0,0,0|2,0,0]=4 459 B6R0.3 N[C@@H](CO)C(=O)O CS-0201873 [1,1,0,0,0,0|2,0,0]=4 460 B6R0.3 N[C@@H](CO)C(=O)O CS-W020136 [1,1,0,0,0,0|2,0,0]=4 461 B6R0.3 N[C@@H](CS)C(=O)O CS-W009027 [1,1,0,0,0,0|2,0,0]=4 462 B6R0.3 N[C@@H](CS)C(=O)O CS-W017431 [1,1,0,0,0,0|2,0,0]=4 463 B6R0.3 N[C@@H](CS)C(=O)O CS-W018517 [1,1,0,0,0,0|2,0,0]=4 464 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [1,1,0,0,0,0|2,0,0]=4 465 B6R0.3 N[C@H](CCl)C(=O)O CS-W016173 [1,1,0,0,0,0|2,0,0]=4 466 B6R0.3 N[C@H](CO)C(=O)O CS-D1751 [1,1,0,0,0,0|2,0,0]=4 467 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [1,1,0,0,0,0|2,0,0]=4 468 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [1,1,0,0,0,0|2,0,0]=4 469 B6R0.3 O=C(O)C(O)CCl CS-0186802 [1,1,0,0,0,0|2,0,0]=4 470 B6R0.3 O=C(O)C(O)CO CS-W018821 [1,1,0,0,0,0|2,0,0]=4 471 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [1,1,0,0,0,0|1,0,0]=3 472 B6R0.3 [C@H](C)(OC)C(=O)O CS-0044100 [1,1,0,0,0,0|0,1,0]=3 473 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [1,1,0,0,0,0|1,0,0]=3 474 B6R0.3 [C@H](O)(CN)C(=O)O CS-W013683 [1,1,0,0,0,0|2,0,0]=4 475 B6R0.4 C#CCCC(=O)O CS-W008784 [1,1,0,0,0,0|1,0,1]=4 476 B6R0.4 C#CCNC(C)=O CS-0434175 [1,1,0,0,0,0|1,0,1]=4 477 B6R0.4 C#CCOC(C)=O CS-0158541 [1,1,0,0,0,0|1,0,1]=4 478 B6R0.4 C=CCCC(=O)O CS-W009138 [1,1,0,0,0,0|1,0,1]=4 479 B6R0.4 CC(=O)CCCCl CS-W013569 [1,1,0,0,0,0|1,0,0]=3 480 B6R0.4 CC(=O)CCCO CS-0020001 [1,1,0,0,0,0|1,0,0]=3 481 B6R0.4 CC(=O)NCCO CS-W013689 [1,1,0,0,0,0|2,0,0]=4 482 B6R0.4 CC(=O)OCCBr CS-W007598 [1,1,0,0,0,0|2,0,0]=4 483 B6R0.4 CC(=O)OCCN CS-0657679 [1,1,0,0,0,0|2,0,0]=4 484 B6R0.4 CC(=O)OCCO CS-0154995 [1,1,0,0,0,0|2,0,0]=4 485 B6R0.4 CCC#CC(=O)O CS-W013726 [1,1,0,0,0,0|1,0,1]=4 486 B6R0.4 CCCNC(C)=O CS-0246738 [1,1,0,0,0,0|1,0,0]=3 487 B6R0.4 CCCOC(N)=O CS-W019060 [1,1,0,0,0,0|2,0,0]=4 488 B6R0.4 CCNCC(=O)O CS-0201673 [1,1,0,0,0,0|1,0,0]=3 489 B6R0.4 CCOCC(=O)O CS-0071579 [1,1,0,0,0,0|0,1,0]=3 490 B6R0.4 CCSCC(=O)O CS-0197336 [1,1,0,0,0,0|0,0,0]=2 491 B6R0.4 CC\C=C\C(=O)O CS-0053528 [1,1,0,0,0,0|1,0,1]=4 492 B6R0.4 CNCCC(=O)O CS-0112815 [1,1,0,0,0,0|1,0,0]=3 493 B6R0.4 CNCCC(=O)O CS-0169148 [1,1,0,0,0,0|1,0,0]=3 494 B6R0.4 CNCCC(N)=O CS-0214971 [1,1,0,0,0,0|2,0,0]=4 495 B6R0.4 COCCC(=O)O CS-W009112 [1,1,0,0,0,0|0,1,0]=3 496 B6R0.4 CO\C=C\C(=O)O CS-0201343 [1,1,0,0,0,0|0,1,1]=4 497 B6R0.4 CO\C=C\C(C)=O CS-0145411 [1,1,0,0,0,0|0,1,1]=4 498 B6R0.4 CO\C=C\C(C)=O CS-W013712 [1,1,0,0,0,0|0,1,1]=4 499 B6R0.4 CS(=O)CCCN CS-0286765 [1,1,0,0,0,0|2,0,0]=4 500 B6R0.4 CSCCC(=O)O CS-6296 [1,1,0,0,0,0|0,0,0]=2 501 B6R0.4 CSCCC(C)=O CS-0206726 [1,1,0,0,0,0|0,0,0]=2 502 B6R0.4 C\C=C\CC(=O)O CS-0129103 [1,1,0,0,0,0|1,0,0]=3 503 B6R0.4 N#CCCC(=O)O CS-W018565 [1,1,0,0,0,0|1,0,1]=4 504 B6R0.4 NCCCC(=O)O CS-W020704 [1,1,0,0,0,0|1,0,0]=3 505 B6R0.4 NCCCC(N)=O CS-0103894 [1,1,0,0,0,0|2,0,0]=4 506 B6R0.4 O=C(O)C#CCO CS-0005249 [1,1,0,0,0,0|1,0,1]=4 507 B6R0.4 O=C(O)CCCBr CS-W016047 [1,1,0,0,0,0|1,0,0]=3 508 B6R0.4 O=C(O)CCCCl CS-W013545 [1,1,0,0,0,0|1,0,0]=3 509 B6R0.4 O=C(O)\C=C\CBr CS-0020044 [1,1,0,0,0,0|1,0,1]=4 510 B6R0.4 O=C(O)\C=C\CCl CS-0139553 [1,1,0,0,0,0|1,0,1]=4 511 B6R0.4 O=CNCC(=O)O CS-0102520 [1,1,0,0,0,0|1,0,1]=4 512 B6R0.4 [N-]=[N+]=NCC(=O)O CS-0618774 [1,1,0,0,0,0|2,0,0]=4 513 B6R0.5 CSCC(C)(C)N CS-0107363 [1,1,0,0,0,0|1,0,1]=4 514 B6R0.6 C(CO)=CCCC CS-W016652 [1,1,0,0,0,0|2,0,0]=4 515 B6R0.6 COCCCCBr CS-W021313 [1,1,0,0,0,0|1,0,1]=4 516 B6R0.6 COCCCCCl CS-0039726 [1,1,0,0,0,0|1,0,1]=4 517 B6R0.6 COCCCCO CS-0150179 [1,1,0,0,0,0|1,0,1]=4 518 B6R0.6 CSCCCCO CS-0204406 [1,1,0,0,0,0|1,0,1]=4 519 B6R0.8 CCS(=O)(=O)CC CS-0376644 [1,1,0,0,0,0|2,0,0]=4 520 B6R0.8 CCS(=O)(=O)OC CS-W011183 [1,1,0,0,0,0|1,0,0]=3 521 B6R0.9 CCN(C=O)CC CS-W009551 [1,1,0,0,0,0|2,0,0]=4 522 B6R0.9 CCN(CC)N=O CS-0128799 [1,1,0,0,0,0|2,0,0]=4 523 B8R0.2 COC(=O)C(C)C(=O)O CS-0072824 [0,2,0,0,0,0|2,0,0]=4 524 B8R0.2 COC(=O)C(C)C(C)=O CS-M0095 [0,2,0,0,0,0|1,0,0]=3 525 B8R0.2 COC(=O)C(Cl)C(C)=O CS-W018135 [0,2,0,0,0,0|1,0,0]=3 526 B8R0.2 COC(=O)C(N)C(C)C CS-W013235 [0,2,0,0,0,0|1,0,0]=3 527 B8R0.2 COC(=O)C(N)C(C)O CS-0169073 [0,2,0,0,0,0|1,0,0]=3 528 B8R0.2 COC(=O)C(O)C(C)C CS-0254529 [0,2,0,0,0,0|1,0,0]=3 529 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CS-W008086 [0,2,0,0,0,0|1,0,0]=3 530 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O CS-0147192 [0,2,0,0,0,0|1,0,0]=3 531 B8R0.2 COC(=O)[C@@H](O)C(C)C CS-0186193 [0,2,0,0,0,0|1,0,0]=3 532 B8R0.2 COC(=O)[C@H](N)C(C)C CS-0012693 [0,2,0,0,0,0|1,0,0]=3 533 B8R0.2 COC(=O)[C@H](N)[C@H](C)O CS-0147184 [0,2,0,0,0,0|1,0,0]=3 534 B8R0.2 COC(=O)[C@H](O)C(C)C CS-0160105 [0,2,0,0,0,0|1,0,0]=3 535 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C CS-W010793 [0,2,0,0,0,0|1,0,0]=3 536 B8R0.5 CC(C)OC(=O)CC#N CS-W013485 [0,2,0,0,0,0|2,0,0]=4 537 B8R0.5 CC(C)OC(=O)OCCl CS-W016293 [0,2,0,0,0,0|2,0,0]=4 538 B8R0.5 CC(C)OC(=O)OCI CS-0070034 [0,2,0,0,0,0|2,0,0]=4 539 B8R0.5 CCOC(=O)CC(=N)N CS-W003345 [0,2,0,0,0,0|2,0,0]=4 540 B8R0.5 CCOC(=O)CC(=N)S CS-W005154 [0,2,0,0,0,0|2,0,0]=4 541 B8R0.5 CCOC(=O)CC(=O)O CS-0016016 [0,2,0,0,0,0|2,0,0]=4 542 B8R0.5 CCOC(=O)CC(C)=O CS-0016216 [0,2,0,0,0,0|1,0,0]=3 543 B8R0.5 CCOC(=O)CC(C)Br CS-0197403 [0,2,0,0,0,0|1,0,0]=3 544 B8R0.5 CCOC(=O)CC(C)N CS-0030781 [0,2,0,0,0,0|1,0,0]=3 545 B8R0.5 CCOC(=O)CC(C)O CS-W013417 [0,2,0,0,0,0|1,0,0]=3 546 B8R0.5 CCOC(=O)CC(N)=O CS-W002214 [0,2,0,0,0,0|2,0,0]=4 547 B8R0.5 CCOC(=O)CN(C)C CS-W013421 [0,2,0,0,0,0|1,0,0]=3 548 B8R0.5 CCOC(=O)C[C@@H](C)N CS-0162169 [0,2,0,0,0,0|1,0,0]=3 549 B8R0.5 CCOC(=O)C[C@H](C)N CS-0095476 [0,2,0,0,0,0|1,0,0]=3 550 B8R0.5 CCOC(=O)C[C@H](C)O CS-0112519 [0,2,0,0,0,0|1,0,0]=3 551 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS-0000037 [0,2,0,0,0,0|2,0,0]=4 552 B8R0.5 CCOC(=O)C[S+](C)C CS-0167158 [0,2,0,0,0,0|0,0,1]=3 553 B8R0.5 CCOC(=O)OC(C)Cl CS-W016294 [0,2,0,0,0,0|2,0,0]=4 554 B8R0.5 CCOC(=O)\C=C(\C)I CS-0130425 [0,2,0,0,0,0|1,0,1]=4 555 B8R0.5 CCOC(=O)\C=C(\C)N CS-0031464 [0,2,0,0,0,0|1,0,1]=4 556 B8R0.5 CCOC(=O)\C=C(\C)N CS-W011120 [0,2,0,0,0,0|1,0,1]=4 557 B8R0.5 COCC(=O)OC(C)C CS-M1127 [0,2,0,0,0,0|0,1,0]=3 558 B8R0.5 C\C=C\C(=O)OC(C)C CS-0158289 [0,2,0,0,0,0|1,0,1]=4 559 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [0,2,0,0,0,0|2,0,0]=4 560 B8R0.19 CCC(=O)CC(=O)OC CS-W011110 [0,2,0,0,0,0|1,0,0]=3 561 B8R0.19 CC[C@@H](O)CC(=O)OC CS-0852565 [0,2,0,0,0,0|1,0,0]=3 562 B8R0.19 CNC(C)CC(=O)OC CS-0124917 [0,2,0,0,0,0|1,0,0]=3 563 B8R0.19 CN\C(C)=C\C(=O)OC CS-M1728 [0,2,0,0,0,0|1,0,1]=4 564 B8R0.19 COC(=O)CC(=O)CCl CS-0044248 [0,2,0,0,0,0|1,0,0]=3 565 B8R0.19 COC(=O)CC(=O)OC CS-0019394 [0,2,0,0,0,0|0,1,0]=3 566 B8R0.19 COC(=O)CC(=O)O[K] CS-M3561 [0,2,0,0,0,0|1,1,0]=4 567 B8R0.19 COC(=O)N[C@@H](C)CN CS-0010956 [0,2,0,0,0,0|2,0,0]=4 568 B8R0.24 CNC(=O)CS(C)(=O)=O CS-0314285 [0,2,0,0,0,0|1,0,1]=4 569 B8R0.24 COC(=O)CC(C)(C)N CS-0139287 [0,2,0,0,0,0|1,0,0]=3 570 B8R0.24 COC(=O)CC(C)(C)O CS-0187490 [0,2,0,0,0,0|1,0,0]=3 571 B8R0.24 COC(=O)CC(F)(F)F CS-0121472 [0,2,0,0,0,0|2,0,0]=4 572 B8R0.24 COC(=O)CS(C)(=O)=O CS-W016301 [0,2,0,0,0,0|0,0,1]=3 573 B8R0.1 C#CCCC(=O)OCC CS-0044527 [0,2,0,0,0,0|1,0,1]=4 574 B8R0.1 C(CBr)=CC(=O)OCC CS-W007837 [0,2,0,0,0,0|1,0,1]=4 575 B8R0.1 C=CCOC(=O)OCC CS-0197813 [0,2,0,0,0,0|1,0,1]=4 576 B8R0.1 CCCOC(=O)CC#N CS-0217234 [0,2,0,0,0,0|2,0,0]=4 577 B8R0.1 CCOC(=O)CCC#N CS-0094471 [0,2,0,0,0,0|1,0,1]=4 578 B8R0.1 CCOC(=O)CCCBr CS-W020133 [0,2,0,0,0,0|1,0,0]=3 579 B8R0.1 CCOC(=O)CCCI CS-0029516 [0,2,0,0,0,0|1,0,0]=3 580 B8R0.1 CCOC(=O)CCCN CS-W010794 [0,2,0,0,0,0|1,0,0]=3 581 B8R0.1 CCOC(=O)CCNN CS-0151578 [0,2,0,0,0,0|2,0,0]=4 582 B8R0.1 CCOC(=O)CNC=O CS-0201687 [0,2,0,0,0,0|1,0,1]=4 583 B8R0.1 CCOCC(=O)OCC CS-0151430 [0,2,0,0,0,0|0,1,0]=3 584 B8R0.3 C#CC[C@H](N)C(=O)OC CS-0180948 [0,2,0,0,0,0|1,0,1]=4 585 B8R0.3 CCCC(=O)N(C)OC CS-0123043 [0,2,0,0,0,0|1,0,0]=3 586 B8R0.3 CCCC(N)C(=O)OC CS-0152454 [0,2,0,0,0,0|1,0,0]=3 587 B8R0.3 CCC[C@H](N)C(=O)OC CS-0152592 [0,2,0,0,0,0|1,0,0]=3 588 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [0,2,0,0,0,0|1,0,1]=4 589 B8R0.3 CCOC(=O)C(Br)CBr CS-W012517 [0,2,0,0,0,0|2,0,0]=4 590 B8R0.3 CCOC(=O)C(Br)CC CS-W010634 [0,2,0,0,0,0|1,0,0]=3 591 B8R0.3 CCOC(=O)C(C)C#N CS-W002095 [0,2,0,0,0,0|2,0,0]=4 592 B8R0.3 CCOC(=O)C(N)CC CS-0197280 [0,2,0,0,0,0|1,0,0]=3 593 B8R0.3 CCOC(=O)C(N)CO CS-0022343 [0,2,0,0,0,0|2,0,0]=4 594 B8R0.3 CCOC(=O)C(N)CS CS-0498859 [0,2,0,0,0,0|2,0,0]=4 595 B8R0.3 CCOC(=O)C(O)CC CS-0185728 [0,2,0,0,0,0|1,0,0]=3 596 B8R0.3 CCOC(=O)[C@@H](C)OC CS-0055730 [0,2,0,0,0,0|0,1,0]=3 597 B8R0.3 CCOC(=O)[C@@H](N)CC CS-0162057 [0,2,0,0,0,0|1,0,0]=3 598 B8R0.3 CCOC(=O)[C@@H](N)CO CS-W017712 [0,2,0,0,0,0|2,0,0]=4 599 B8R0.3 CCOC(=O)[C@@H](N)CS CS-B1669 [0,2,0,0,0,0|2,0,0]=4 600 B8R0.3 CCOC(=O)[C@@H](O)CC CS-0527449 [0,2,0,0,0,0|1,0,0]=3 601 B8R0.3 CCOC(=O)[C@H](N)CO CS-W022750 [0,2,0,0,0,0|2,0,0]=4 602 B8R0.3 COC(=O)C(C)CCCl CS-0205287 [0,2,0,0,0,0|1,0,0]=3 603 B8R0.3 COC(=O)[C@@H](N)CSC CS-0654810 [0,2,0,0,0,0|0,0,0]=2 604 B8R0.3 COCC(=O)N(C)OC CS-0061704 [0,2,0,0,0,0|0,1,0]=3 605 B8R0.3 COC[C@@H](N)C(=O)OC CS-0162497 [0,2,0,0,0,0|0,1,0]=3 606 B8R0.6 C#CCCCC(=O)OC CS-0127624 [0,2,0,0,0,0|1,0,0]=3 607 B8R0.6 C=CCCCC(=O)OC CS-0015919 [0,2,0,0,0,0|1,0,0]=3 608 B8R0.6 CCC\C=C\C(=O)OC CS-W013465 [0,2,0,0,0,0|1,0,0]=3 609 B8R0.6 CNCCCC(=O)OC CS-0112438 [0,2,0,0,0,0|1,0,0]=3 610 B8R0.6 COC(=O)CCCC#N CS-0216788 [0,2,0,0,0,0|1,0,0]=3 611 B8R0.6 COC(=O)CCCCBr CS-W022866 [0,2,0,0,0,0|1,0,0]=3 612 B8R0.6 COC(=O)CCCCCl CS-0098043 [0,2,0,0,0,0|1,0,0]=3 613 B8R0.6 COC(=O)CCCCN CS-0018002 [0,2,0,0,0,0|1,0,0]=3 614 B8R0.6 COC(=O)CCCCO CS-0021769 [0,2,0,0,0,0|1,0,0]=3 615 B8R0.6 COC(=O)COCCCl CS-0209481 [0,2,0,0,0,0|0,1,0]=3 616 B8R0.6 COCCCC(=O)OC CS-W011093 [0,2,0,0,0,0|0,1,0]=3 617 B8R0.6 COC\C=C\C(=O)OC CS-0528723 [0,2,0,0,0,0|0,1,0]=3 618 B8R0.6 C\C=C\C=C\C(=O)OC CS-0069857 [0,2,0,0,0,0|1,0,1]=4 619 B8R0.6 C\C=C\C=C\C(=O)OC CS-0898360 [0,2,0,0,0,0|1,0,1]=4 620 B8R0.6 O=C(CCCCO)O[Na] CS-0047732 [0,2,0,0,0,0|2,0,0]=4 621 B8R0.9 CNC(=O)CNC(C)=O CS-0277639 [0,2,0,0,0,0|2,0,0]=4 622 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [0,2,0,0,0,0|1,0,1]=4 623 B8R0.9 COC(=O)CCC(C)=O CS-0023754 [0,2,0,0,0,0|1,0,0]=3 624 B8R0.9 COC(=O)CCC(N)=O CS-0453315 [0,2,0,0,0,0|1,0,1]=4 625 B8R0.9 COC(=O)CCS(=O)[O-] CS-W008508 [0,2,0,0,0,0|1,0,1]=4 626 B8R0.9 COC(=O)CC[C@H](C)N CS-0572078 [0,2,0,0,0,0|1,0,0]=3 627 B8R0.9 COC(=O)CNC(C)=O CS-W013428 [0,2,0,0,0,0|1,0,0]=3 628 B8R0.9 COC(=O)CNC(C)C CS-0200417 [0,2,0,0,0,0|1,0,0]=3 629 B8R0.9 COC(=O)NCC(=O)O CS-0150649 [0,2,0,0,0,0|2,0,0]=4 630 B8R0.9 COC(=O)\C=C\N(C)C CS-0680413 [0,2,0,0,0,0|1,0,1]=4 631 B8R0.9 O=C(CSC(F)F)O[K] CS-B0604 [0,2,0,0,0,0|1,0,0]=3 632 B8R0.13 C#CC(C)(C)C(=O)OC CS-0197693 [0,2,0,0,0,0|1,0,1]=4 633 B8R0.13 COC(=O)C(C)(C)C#N CS-0028771 [0,2,0,0,0,0|2,0,0]=4 634 B8R0.13 COC(=O)C(C)(C)CN CS-W018801 [0,2,0,0,0,0|2,0,0]=4 635 B8R0.13 COC(=O)C(C)(C)CO CS-W013414 [0,2,0,0,0,0|2,0,0]=4 636 B8R0.13 COC(=O)C(C)(N)CO CS-0112989 [0,2,0,0,0,0|2,0,0]=4 637 B8R0.13 COC(=O)C(F)(F)CN CS-0665175 [0,2,0,0,0,0|2,0,0]=4 638 B8R0.20 CC[C@H](NC)C(=O)OC CS-0775668 [0,2,0,0,0,0|1,0,0]=3 639 B8R0.20 COC(=O)C(CBr)CBr CS-0112200 [0,2,0,0,0,0|2,0,0]=4 640 B8R0.20 COC(=O)C(CN)CN CS-W006782 [0,2,0,0,0,0|2,0,0]=4 641 B6R1.2 O=C1C=CCC1 CS-W011359 [1,0,0,1,0,0|1,0,1]=4 642 B6R1.2 O=C1C=CCO1 CS-W008270 [1,0,0,1,0,0|1,0,1]=4 643 B6R1.2 O=C1CCCN1 CS-0197058 [1,0,0,1,0,0|2,0,0]=4 644 B6R1.2 O=C1CCNC1 CS-W005267 [1,0,0,1,0,0|1,0,0]=3 645 B6R1.2 O=C1CCNN1 CS-W001151 [1,0,0,1,0,0|2,0,0]=4 646 B6R1.2 O=C1CCOC1 CS-D1574 [1,0,0,1,0,0|0,1,0]=3 647 B6R1.2 O=C1CCSC1 CS-W011310 [1,0,0,1,0,0|0,0,0]=2 648 B6R1.2 O=C1NCCO1 CS-W007548 [1,0,0,1,0,0|2,0,0]=4 649 B6R1.2 O=S1CCCC1 CS-0207394 [1,0,0,1,0,0|2,0,0]=4 650 B6R1.2 OC1CCSC1 CS-0185375 [1,0,0,1,0,0|0,0,2]=4 651 B6R1.5 CN1CC(=O)C1 CS-0052428 [1,0,0,1,0,0|1,0,0]=3 652 B6R1.5 NC1CC(=O)C1 CS-W005321 [1,0,0,1,0,0|2,0,0]=4 653 B6R1.5 O=C1CC(O)C1 CS-0051337 [1,0,0,1,0,0|2,0,0]=4 654 B6R1.11 NC(=O)C1CC1 CS-W011356 [1,0,0,1,0,0|2,0,0]=4 655 B6R1.11 NC(=O)C1CO1 CS-0067053 [1,0,0,1,0,0|1,1,0]=4 656 B6R1.11 O=C(O)C1CC1 CS-W018339 [1,0,0,1,0,0|1,0,0]=3 657 B6R1.1 C1=CCNCC1 CS-W021272 [1,0,0,1,0,0|2,0,0]=4 658 B6R1.1 C1CCONC1 CS-W000777 [1,0,0,1,0,0|2,0,0]=4 659 B6R1.1 C1CSCCN1 CS-W007359 [1,0,0,1,0,0|1,0,1]=4 660 B6R1.1 C1CSCCO1 CS-0155184 [1,0,0,1,0,0|0,0,1]=3 661 B6R1.1 C1CSCCS1 CS-0698377 [1,0,0,1,0,0|0,1,1]=4 662 B6R1.1 C1CSCSC1 CS-W001189 [1,0,0,1,0,0|2,0,0]=4 663 B6R1.6 CNC1COC1 CS-0040193 [1,0,0,1,0,0|1,0,1]=4 664 B6R1.6 COC1CNC1 CS-W008894 [1,0,0,1,0,0|1,0,1]=4 665 B6R1.6 CSC1CNC1 CS-0051673 [1,0,0,1,0,0|1,0,1]=4 666 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [0,1,0,1,0,0|1,0,1]=4 667 B8R1.1 C=CC1COC(=O)O1 CS-W011250 [0,1,0,1,0,0|1,0,1]=4 668 B8R1.1 C=C[C@H]1COC(=O)C1 CS-0001483 [0,1,0,1,0,0|1,0,1]=4 669 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [0,1,0,1,0,0|2,0,0]=4 670 B8R1.1 CCC1COC(=O)N1 CS-0447690 [0,1,0,1,0,0|1,0,0]=3 671 B8R1.1 CCC1COC(=O)O1 CS-0187002 [0,1,0,1,0,0|1,0,0]=3 672 B8R1.1 CC[C@H]1COC(=O)N1 CS-0093963 [0,1,0,1,0,0|1,0,0]=3 673 B8R1.1 NCC1CNC(=O)C1 CS-0051184 [0,1,0,1,0,0|2,0,0]=4 674 B8R1.1 O=C1CC(CO)CN1 CS-0046664 [0,1,0,1,0,0|2,0,0]=4 675 B8R1.1 O=C1CC(CO)CO1 CS-0037642 [0,1,0,1,0,0|1,0,0]=3 676 B8R1.1 O=C1CCC(CO)C1 CS-0315717 [0,1,0,1,0,0|2,0,0]=4 677 B8R1.1 O=C1NC(CO)CO1 CS-0309754 [0,1,0,1,0,0|2,0,0]=4 678 B8R1.1 O=C1N[C@@H](CF)CO1 CS-0256092 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.1 O=C1N[C@@H](CI)CO1 CS-0149725 [0,1,0,1,0,0|2,0,0]=4 680 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [0,1,0,1,0,0|2,0,0]=4 681 B8R1.1 O=C1N[C@H](CO)CO1 CS-0216909 [0,1,0,1,0,0|2,0,0]=4 682 B8R1.1 O=C1OCC(CO)O1 CS-0158426 [0,1,0,1,0,0|2,0,0]=4 683 B8R1.4 CC1=CC(=O)CCC1 CS-0128362 [0,1,0,1,0,0|2,0,0]=4 684 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [0,1,0,1,0,0|2,0,0]=4 685 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [0,1,0,1,0,0|2,0,0]=4 686 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [0,1,0,1,0,0|2,0,0]=4 687 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [0,1,0,1,0,0|1,0,0]=3 688 B8R1.4 CC1COCC(=O)N1 CS-0146686 [0,1,0,1,0,0|1,1,0]=4 689 B8R1.4 CN1CCNC(=O)C1 CS-W003814 [0,1,0,1,0,0|2,0,0]=4 690 B8R1.4 CN1CCOC(=O)C1 CS-W001837 [0,1,0,1,0,0|1,0,0]=3 691 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [0,1,0,1,0,0|2,0,0]=4 692 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [0,1,0,1,0,0|2,0,0]=4 693 B8R1.4 C[C@@H]1COCC(=O)N1 CS-0059832 [0,1,0,1,0,0|1,1,0]=4 694 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [0,1,0,1,0,0|2,0,0]=4 695 B8R1.4 C[C@H]1COCC(=O)N1 CS-W023097 [0,1,0,1,0,0|1,1,0]=4 696 B8R1.4 NC1CCNC(=O)C1 CS-0051036 [0,1,0,1,0,0|2,0,0]=4 697 B8R1.4 O=C1CC(O)CCN1 CS-W003628 [0,1,0,1,0,0|2,0,0]=4 698 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [0,1,0,1,0,0|2,0,0]=4 699 B8R1.4 O=C1COCC(=O)O1 CS-0108764 [0,1,0,1,0,0|0,1,1]=4 700 B8R1.4 O=C1C[C@@H](O)CCN1 CS-W021175 [0,1,0,1,0,0|2,0,0]=4 701 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [0,1,0,1,0,0|2,0,0]=4 702 B8R1.18 CC1=C(C)OC(=O)O1 CS-W013644 [0,1,0,1,0,0|2,0,0]=4 703 B8R1.18 CC1CC(=O)OC1=O CS-Z0015 [0,1,0,1,0,0|1,0,1]=4 704 B8R1.18 CN1CC(=O)OC1=O CS-0109855 [0,1,0,1,0,0|1,0,1]=4 705 B8R1.18 CN1CC(N)CC1=O CS-0051054 [0,1,0,1,0,0|2,0,0]=4 706 B8R1.18 CN1CC(N)CC1=O CS-0075445 [0,1,0,1,0,0|2,0,0]=4 707 B8R1.51 CC1(C)CCC(=O)C1 CS-W018408 [0,1,0,1,0,0|2,0,0]=4 708 B8R1.2 COC1=NCCCC1 CS-0150206 [0,1,0,1,0,0|2,0,0]=4 709 B8R1.2 O=CC1=CCCOC1 CS-W005965 [0,1,0,1,0,0|1,1,0]=4 710 B8R1.3 CC1CCC(=O)CC1 CS-W013656 [0,1,0,1,0,0|2,0,0]=4 711 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [0,1,0,1,0,0|2,0,0]=4 712 B8R1.3 CC1CNC(=O)CO1 CS-0444103 [0,1,0,1,0,0|1,1,0]=4 713 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,1,0,1,0,0|2,0,0]=4 714 B8R1.3 C[C@@H]1CNC(=O)CO1 CS-0478990 [0,1,0,1,0,0|1,1,0]=4 715 B8R1.3 C[C@H]1CNC(=O)CO1 CS-0478989 [0,1,0,1,0,0|1,1,0]=4 716 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,1,0,1,0,0|2,0,0]=4 717 B8R1.3 NC1CCC(=O)NC1 CS-0050676 [0,1,0,1,0,0|2,0,0]=4 718 B8R1.3 N[C@H]1CCC(=O)NC1 CS-0185259 [0,1,0,1,0,0|2,0,0]=4 719 B8R1.3 O=C1CCC(O)CC1 CS-D0911 [0,1,0,1,0,0|2,0,0]=4 720 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,1,0,1,0,0|2,0,0]=4 721 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,1,0,1,0,0|2,0,0]=4 722 B8R1.3 O=C1COC(=O)CO1 CS-0046191 [0,1,0,1,0,0|0,1,1]=4 723 B8R1.5 CC1CCCNC1=O CS-0186670 [0,1,0,1,0,0|2,0,0]=4 724 B8R1.5 CC1CNCCC1=O CS-D0046 [0,1,0,1,0,0|2,0,0]=4 725 B8R1.5 CC1CNCCC1=O CS-D0300 [0,1,0,1,0,0|2,0,0]=4 726 B8R1.5 CC1COCCC1=O CS-W003860 [0,1,0,1,0,0|1,1,0]=4 727 B8R1.5 CC1NCCNC1=O CS-0046850 [0,1,0,1,0,0|2,0,0]=4 728 B8R1.5 CN1CCCNC1=O CS-0068150 [0,1,0,1,0,0|2,0,0]=4 729 B8R1.5 CN1CCNCC1=O CS-0052424 [0,1,0,1,0,0|2,0,0]=4 730 B8R1.5 CN1CCNCC1=O CS-D0697 [0,1,0,1,0,0|2,0,0]=4 731 B8R1.5 CN1CCOCC1=O CS-0145226 [0,1,0,1,0,0|1,1,0]=4 732 B8R1.5 C[C@@H]1NCCNC1=O CS-0130514 [0,1,0,1,0,0|2,0,0]=4 733 B8R1.5 C[C@H]1NCCNC1=O CS-0042202 [0,1,0,1,0,0|2,0,0]=4 734 B8R1.5 NC1CCCCC1=O CS-0099232 [0,1,0,1,0,0|2,0,0]=4 735 B8R1.5 NC1CCCNC1=O CS-D0182 [0,1,0,1,0,0|2,0,0]=4 736 B8R1.5 N[C@@H]1CCCNC1=O CS-0102181 [0,1,0,1,0,0|2,0,0]=4 737 B8R1.5 N[C@H]1CCCNC1=O CS-0112427 [0,1,0,1,0,0|2,0,0]=4 738 B8R1.5 O=C1CCCCC1=O CS-W007347 [0,1,0,1,0,0|2,0,0]=4 739 B8R1.5 O=C1CCCCC1Cl CS-W013402 [0,1,0,1,0,0|2,0,0]=4 740 B8R1.5 O=C1CCCCC1O CS-0262973 [0,1,0,1,0,0|2,0,0]=4 741 B8R1.5 O=C1NCCCC1O CS-W008630 [0,1,0,1,0,0|2,0,0]=4 742 B8R1.22 C=C1OCCCCO1 CS-W006464 [0,1,0,1,0,0|2,0,0]=4 743 B8R1.22 O=C1C=CCCCC1 CS-W007594 [0,1,0,1,0,0|2,0,0]=4 744 B8R1.22 O=C1CCCCCN1 CS-W011258 [0,1,0,1,0,0|2,0,0]=4 745 B8R1.22 O=C1CCCCNC1 CS-0155246 [0,1,0,1,0,0|2,0,0]=4 746 B8R1.22 O=C1CCCNCC1 CS-W001845 [0,1,0,1,0,0|2,0,0]=4 747 B8R1.22 O=C1CCNCCN1 CS-W003673 [0,1,0,1,0,0|2,0,0]=4 748 B8R1.22 O=C1CCOCCN1 CS-W021289 [0,1,0,1,0,0|1,1,0]=4 749 B8R1.22 O=C1COCCCN1 CS-0037454 [0,1,0,1,0,0|1,1,0]=4 750 B8R1.22 O=C1OCCCCO1 CS-0665438 [0,1,0,1,0,0|1,0,0]=3 751 B8R1.38 CNC(=O)C1CNC1 CS-0184861 [0,1,0,1,0,0|2,0,0]=4 752 B8R1.38 COC(=O)C1CCC1 CS-W013640 [0,1,0,1,0,0|1,0,0]=3 753 B8R1.38 COC(=O)C1CNC1 CS-D1541 [0,1,0,1,0,0|1,0,0]=3 754 B8R1.38 COC(=O)C1COC1 CS-0045513 [0,1,0,1,0,0|0,1,0]=3 755 B8R1.50 CN1C(=O)CSC1=O CS-W021969 [0,1,0,1,0,0|1,0,1]=4 756 B8R1.50 CN1CCC(N)C1=O CS-0133775 [0,1,0,1,0,0|2,0,0]=4 757 B8R1.50 O=C1COC(=O)C1Cl CS-0155475 [0,1,0,1,0,0|2,0,0]=4 758 B8R1.50 O=C1OC[C@@H](O)[C@H]1O CS-0157912 [0,1,0,1,0,0|2,0,0]=4 759 B8R1.19 CC1(C)CCCC1=O CS-0040450 [0,1,0,1,0,0|2,0,0]=4 760 B8R1.37 CCOC(=N)C1CC1 CS-0122277 [0,1,0,1,0,0|2,0,0]=4 761 B8R1.37 O=C(OCCl)C1CC1 CS-0723020 [0,1,0,1,0,0|1,0,0]=3 762 B8R1.11 CCC1CCCC1=O CS-0152470 [0,1,0,1,0,0|2,0,0]=4 763 B8R1.11 CCN1CCCC1=O CS-W013650 [0,1,0,1,0,0|2,0,0]=4 764 B8R1.11 N#CC1COCC1=O CS-0050786 [0,1,0,1,0,0|2,0,0]=4 765 B8R1.11 O=C1CCCC1CO CS-0136671 [0,1,0,1,0,0|2,0,0]=4 766 B8R1.39 COC(=O)C1(C)CO1 CS-0109314 [0,1,0,1,0,0|0,1,0]=3 767 B8R1.39 COC(=O)C1(N)CC1 CS-0044090 [0,1,0,1,0,0|1,0,0]=3 768 B8R1.39 COC(=O)C1(N)CC1 CS-W008219 [0,1,0,1,0,0|1,0,0]=3 769 B8R1.39 COC(=O)C1(O)CC1 CS-W005559 [0,1,0,1,0,0|1,0,0]=3 770 B8R1.72 O=S1(=O)CCCCO1 CS-W018691 [0,1,0,1,0,0|2,0,0]=4 771 B8R2.18 O=C1CC2CC2C1 CS-0036289 [0,0,0,2,0,0|2,0,0]=4