0 B6R0.4 C#CCCC(=O)O CS-W008784 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.4 C#CCNC(C)=O CS-0434175 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.4 C#CCNC(N)=O CS-0042340 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.4 C#CCOC(C)=O CS-0158541 [0,0,0,0,0,0|0,0,2]=2 4 B6R0.4 C=CCCC(=O)O CS-W009138 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.4 C=CCNC(N)=O CS-0197283 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.4 CC(=O)CCCCl CS-W013569 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.4 CC(=O)CCCO CS-0020001 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.4 CC(=O)NCCO CS-W013689 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.4 CC(=O)OCCBr CS-W007598 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.4 CC(=O)OCCN CS-0657679 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.4 CC(=O)OCCO CS-0154995 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.4 CC(Br)CCCBr CS-0204659 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.4 CC(C)=CCCBr CS-0155165 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.4 CC(C)CCCBr CS-0154233 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.4 CC(C)CCCO CS-W007511 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.4 CC(C)NCCCl CS-W006300 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.4 CC(C)NCCN CS-0199017 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.4 CC(C)NCCO CS-0076304 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.4 CC(C)OCCBr CS-W018660 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.4 CC(O)CCCO CS-0154051 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.4 CCC#CC(=O)O CS-W013726 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.4 CCCCB(O)O CS-W000932 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.4 CCCCC(=N)N CS-0122242 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.4 CCCCC(N)=S CS-0248646 [0,0,0,0,0,0|2,1,0]=3 25 B6R0.4 CCCCS(=O)[O-] CS-0851776 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.4 CCCC[C@@H](C)O CS-0179419 [0,0,0,0,0,0|1,0,2]=3 27 B6R0.4 CCCC[C@H](C)O CS-0179420 [0,0,0,0,0,0|1,0,2]=3 28 B6R0.4 CCCNC(C)=O CS-0246738 [0,0,0,0,0,0|1,0,0]=1 29 B6R0.4 CCCOC(N)=O CS-W019060 [0,0,0,0,0,0|1,0,0]=1 30 B6R0.4 CCNCC(=O)O CS-0201673 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.4 CCNCC(C)C CS-0071534 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.4 CCOCC(=O)O CS-0071579 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.4 CCSCC(=O)O CS-0197336 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.4 CC\C=C\C(=O)O CS-0053528 [0,0,0,0,0,0|2,0,1]=3 35 B6R0.4 CN(C)CCCBr CS-W003771 [0,0,0,0,0,0|4,0,0]=4 36 B6R0.4 CN(C)CCCCl CS-W004690 [0,0,0,0,0,0|4,0,0]=4 37 B6R0.4 CN(C)CCCCl CS-W019575 [0,0,0,0,0,0|4,0,0]=4 38 B6R0.4 CN(C)CCCN CS-0214111 [0,0,0,0,0,0|4,0,0]=4 39 B6R0.4 CNCCC(=O)O CS-0112815 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.4 CNCCC(=O)O CS-0169148 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.4 CNCCC(C)C CS-0039334 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.4 CNCCC(N)=O CS-0214971 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.4 CNCCN(C)C CS-W022914 [0,0,0,0,0,0|4,0,0]=4 44 B6R0.4 COCCC(=O)O CS-W009112 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.4 CO\C=C\C(=O)O CS-0201343 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.4 CO\C=C\C(C)=O CS-0145411 [0,0,0,0,0,0|2,0,1]=3 47 B6R0.4 CO\C=C\C(C)=O CS-W013712 [0,0,0,0,0,0|2,0,1]=3 48 B6R0.4 CS(=O)CCCN CS-0286765 [0,0,0,0,0,0|3,0,0]=3 49 B6R0.4 CSCCC(=O)O CS-6296 [0,0,0,0,0,0|3,0,0]=3 50 B6R0.4 CSCCC(C)=O CS-0206726 [0,0,0,0,0,0|2,0,0]=2 51 B6R0.4 C[C@@H](N)CCCO CS-0634445 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.4 C[C@H](N)CCCO CS-0652529 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.4 C\C=C\CC(=O)O CS-0129103 [0,0,0,0,0,0|2,0,2]=4 54 B6R0.4 N#CCCC(=O)O CS-W018565 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.4 N=C(N)SCCN CS-0143720 [0,0,0,0,0,0|3,1,0]=4 56 B6R0.4 N=C(O)NCCO CS-W011301 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.4 NC(=O)NCCCl CS-0317452 [0,0,0,0,0,0|3,0,0]=3 58 B6R0.4 NCCCC(=O)O CS-W020704 [0,0,0,0,0,0|3,0,0]=3 59 B6R0.4 NCCCC(N)=O CS-0103894 [0,0,0,0,0,0|3,0,0]=3 60 B6R0.4 NCCNC(N)=O CS-0139236 [0,0,0,0,0,0|3,0,0]=3 61 B6R0.4 O=C(O)C#CCO CS-0005249 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.4 O=C(O)CCCBr CS-W016047 [0,0,0,0,0,0|3,0,0]=3 63 B6R0.4 O=C(O)CCCCl CS-W013545 [0,0,0,0,0,0|3,0,0]=3 64 B6R0.4 O=C(O)\C=C\CBr CS-0020044 [0,0,0,0,0,0|3,0,1]=4 65 B6R0.4 O=C(O)\C=C\CCl CS-0139553 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.4 O=[N+]([O-])CCCO CS-0209456 [0,0,0,0,0,0|4,0,0]=4 67 B5R0.1 C#CCC(=O)O CS-W004784 [1,0,0,0,0,0|1,0,2]=4 68 B5R0.1 C=CCC(=O)O CS-0069849 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.1 CC#CC(=O)O CS-W007936 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.1 CC(=O)CCCl CS-W022162 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.1 CC(=O)CCN CS-0209803 [1,0,0,0,0,0|1,0,0]=2 72 B5R0.1 CC(=O)NCO CS-0061075 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 CC(=O)OCBr CS-0090812 [1,0,0,0,0,0|1,0,0]=2 74 B5R0.1 CC(=O)OCCl CS-0139458 [1,0,0,0,0,0|1,0,0]=2 75 B5R0.1 CC(C)=CCCl CS-0204351 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.1 CC(C)=CCN CS-0236946 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.1 CC(C)=CCO CS-W013751 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.1 CC(N)CCO CS-W004841 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.1 CC(O)CCBr CS-0142519 [1,0,0,0,0,0|1,0,2]=4 80 B5R0.1 CC(O)CCO CS-0115644 [1,0,0,0,0,0|1,0,2]=4 81 B5R0.1 CCCB(O)O CS-W007470 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.1 CCCC(=N)N CS-W013544 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.1 CCCC(=O)O CS-0977378 [1,0,0,0,0,0|1,0,0]=2 84 B5R0.1 CCCC(N)=O CS-0130522 [1,0,0,0,0,0|1,0,0]=2 85 B5R0.1 CCC[C@@H](C)N CS-0162182 [1,0,0,0,0,0|1,0,1]=3 86 B5R0.1 CCC[C@H](C)N CS-W006528 [1,0,0,0,0,0|1,0,1]=3 87 B5R0.1 CCNC(N)=O CS-W011351 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.1 CCNC(N)=S CS-0180914 [1,0,0,0,0,0|2,1,0]=4 89 B5R0.1 CCOC(=N)N CS-W019160 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.1 CCOC(C)=N CS-W008601 [1,0,0,0,0,0|1,0,0]=2 91 B5R0.1 CCOC(N)=O CS-4731 [1,0,0,0,0,0|1,0,0]=2 92 B5R0.1 CCSC(=N)N CS-0021039 [1,0,0,0,0,0|2,1,0]=4 93 B5R0.1 CN(C)CCBr CS-W004693 [1,0,0,0,0,0|3,0,0]=4 94 B5R0.1 CNCC(=O)O CS-W013507 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.1 CNCC(=O)O CS-W018511 [1,0,0,0,0,0|2,0,0]=3 96 B5R0.1 CNCC(C)O CS-0216704 [1,0,0,0,0,0|1,0,2]=4 97 B5R0.1 CNCC(N)=O CS-W011178 [1,0,0,0,0,0|2,0,0]=3 98 B5R0.1 COCC(=N)N CS-W003564 [1,0,0,0,0,0|3,0,0]=4 99 B5R0.1 COCC(=O)O CS-W020123 [1,0,0,0,0,0|2,0,0]=3 100 B5R0.1 COC[C@@H](C)N CS-W019198 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.1 COC[C@H](C)N CS-0148795 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.1 COC[C@H](C)O CS-0031378 [1,0,0,0,0,0|1,0,2]=4 103 B5R0.1 CSCC(=O)O CS-0015159 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.1 CSCC(N)=O CS-0150088 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.1 CSCS(C)=O CS-0146450 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.1 C[C@@H](N)CCO CS-W013746 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.1 C[C@@H](O)CCO CS-M1638 [1,0,0,0,0,0|1,0,2]=4 108 B5R0.1 C[C@H](N)CCO CS-W019851 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.1 C[C@H](O)CCO CS-W016671 [1,0,0,0,0,0|1,0,2]=4 110 B5R0.1 C\C=C\C(=O)O CS-0017976 [1,0,0,0,0,0|1,0,2]=4 111 B5R0.1 C\C=C\C(C)=O CS-0022376 [1,0,0,0,0,0|0,0,2]=3 112 B5R0.1 C\C=C\C(C)=O CS-0513711 [1,0,0,0,0,0|0,0,2]=3 113 B5R0.1 N#CCC(=O)[O-] CS-0162555 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.1 N=C(O)CCN CS-W007497 [1,0,0,0,0,0|2,0,1]=4 115 B5R0.1 NC(=O)CCBr CS-0046169 [1,0,0,0,0,0|2,0,0]=3 116 B5R0.1 NC(=O)CCCl CS-0204808 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.1 NC(=O)CCO CS-0205185 [1,0,0,0,0,0|2,0,0]=3 118 B5R0.1 NCCC(=O)O CS-0668359 [1,0,0,0,0,0|2,0,0]=3 119 B5R0.1 NCCC(=O)O CS-W020126 [1,0,0,0,0,0|2,0,0]=3 120 B5R0.1 NCCS(=O)O CS-6985 [1,0,0,0,0,0|3,0,0]=4 121 B5R0.1 NOCC(=O)O CS-8158 [1,0,0,0,0,0|3,0,0]=4 122 B5R0.1 O=C(O)CCF CS-0038385 [1,0,0,0,0,0|2,0,0]=3 123 B5R0.1 O=C(O)CCI CS-0204563 [1,0,0,0,0,0|2,0,0]=3 124 B5R0.1 O=C(O)CCO CS-0147832 [1,0,0,0,0,0|2,0,0]=3 125 B5R0.1 O=[N+]([O-])CCO CS-W013741 [1,0,0,0,0,0|3,0,0]=4 126 B5R0.2 C=CCCCI CS-0135974 [1,0,0,0,0,0|2,0,1]=4 127 B5R0.2 C=CCCNC CS-0197692 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.2 CCCCON CS-0106180 [1,0,0,0,0,0|3,0,0]=4 129 B5R0.2 CCNCCO CS-0076051 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.2 CCSCCN CS-0663845 [1,0,0,0,0,0|1,1,1]=4 131 B5R0.2 CC\C=C\C=O CS-0173472 [1,0,0,0,0,0|1,0,1]=3 132 B5R0.2 CNCCCCl CS-0150991 [1,0,0,0,0,0|3,0,0]=4 133 B5R0.2 CNCCCO CS-W007469 [1,0,0,0,0,0|3,0,0]=4 134 B5R0.2 COCCCBr CS-W010945 [1,0,0,0,0,0|3,0,0]=4 135 B5R0.2 CSCCCO CS-0015993 [1,0,0,0,0,0|3,0,0]=4 136 B5R0.2 C\C=C\CCO CS-0162245 [1,0,0,0,0,0|2,0,0]=3 137 B5R0.2 N#CCOC=O CS-0181845 [1,0,0,0,0,0|1,0,1]=3 138 B7R0.2 C=CC(C)OC(C)=O CS-0139597 [0,1,0,0,0,0|0,0,2]=3 139 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,1,0,0,0,0|1,0,1]=3 140 B7R0.2 CCC(C)CC(=O)O CS-W011229 [0,1,0,0,0,0|2,0,0]=3 141 B7R0.2 CCC(C)CC(C)N CS-W016309 [0,1,0,0,0,0|2,0,1]=4 142 B7R0.2 CCC(C)OC(=S)S CS-0182625 [0,1,0,0,0,0|1,1,0]=3 143 B7R0.2 CCC(N)CC(=O)O CS-W021843 [0,1,0,0,0,0|2,0,0]=3 144 B7R0.2 CCN(C)CC(=O)O CS-0144155 [0,1,0,0,0,0|3,0,0]=4 145 B7R0.2 CC[C@H](C)CC(=O)O CS-W002937 [0,1,0,0,0,0|2,0,0]=3 146 B7R0.2 N[C@@H](CO)CC(=O)O CS-W006063 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.2 N[C@H](CO)CC(=O)O CS-W021172 [0,1,0,0,0,0|3,0,0]=4 148 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [0,1,0,0,0,0|3,0,0]=4 149 B7R0.3 C#CCCC(=O)OC CS-0137200 [0,1,0,0,0,0|1,0,2]=4 150 B7R0.3 C#CCNC(=O)CN CS-0179644 [0,1,0,0,0,0|1,0,2]=4 151 B7R0.3 C=CC(=O)NCCN CS-0128084 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.3 C=CC(=O)OCCBr CS-0106645 [0,1,0,0,0,0|1,0,1]=3 153 B7R0.3 C=CC(=O)OCCO CS-W013616 [0,1,0,0,0,0|1,0,1]=3 154 B7R0.3 C=CCCC(=O)OC CS-0187527 [0,1,0,0,0,0|1,0,2]=4 155 B7R0.3 C=CCOC(=O)CCl CS-W013366 [0,1,0,0,0,0|0,0,2]=3 156 B7R0.3 C=CCOC(=O)OC CS-0040098 [0,1,0,0,0,0|0,0,2]=3 157 B7R0.3 CCCCC(=O)O[Na] CS-W007087 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.3 CCCCC(O)CO CS-W013596 [0,1,0,0,0,0|1,0,2]=4 159 B7R0.3 CCCC[C@@H](N)CO CS-0089933 [0,1,0,0,0,0|2,0,1]=4 160 B7R0.3 CCCC[C@@H](N)CO CS-0162184 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.3 CCCC\C(O)=N\N CS-W013606 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.3 CCCNC(=O)CCl CS-0074801 [0,1,0,0,0,0|1,0,0]=2 163 B7R0.3 CCCOC(=O)OC CS-0111112 [0,1,0,0,0,0|0,0,0]=1 164 B7R0.3 CNCCC(=O)OC CS-0150994 [0,1,0,0,0,0|2,0,0]=3 165 B7R0.3 COC(=O)C#CCO CS-0029743 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.3 COC(=O)CCC#N CS-W009546 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.3 COC(=O)CCCBr CS-W004701 [0,1,0,0,0,0|2,0,0]=3 168 B7R0.3 COC(=O)CCCCl CS-0001466 [0,1,0,0,0,0|2,0,0]=3 169 B7R0.3 COC(=O)CCCI CS-0001467 [0,1,0,0,0,0|2,0,0]=3 170 B7R0.3 COC(=O)CCCN CS-W019991 [0,1,0,0,0,0|2,0,0]=3 171 B7R0.3 COC(=O)CCSC CS-0128902 [0,1,0,0,0,0|2,0,0]=3 172 B7R0.3 COC(=O)\C=C\CBr CS-0146524 [0,1,0,0,0,0|2,0,1]=4 173 B7R0.3 COC(=O)\C=C\CBr CS-W008761 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.3 COC(=O)\C=C\CN CS-0187948 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.3 COCCC(=O)OC CS-0072438 [0,1,0,0,0,0|2,0,0]=3 176 B7R0.3 CO\C=C\C(=O)OC CS-0076974 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.3 CO\C=C\C(=O)OC CS-W007972 [0,1,0,0,0,0|2,0,1]=4 178 B7R0.3 NCCNC(=O)CCl CS-0697880 [0,1,0,0,0,0|2,0,0]=3 179 B7R0.4 C#CCCCC(=O)O CS-W009272 [0,1,0,0,0,0|2,0,1]=4 180 B7R0.4 C#CCOCC(=O)O CS-0070099 [0,1,0,0,0,0|1,0,2]=4 181 B7R0.4 C=CCCCC(=O)O CS-0113496 [0,1,0,0,0,0|2,0,1]=4 182 B7R0.4 CC(=O)CCCCCl CS-W013363 [0,1,0,0,0,0|1,0,0]=2 183 B7R0.4 CC(=O)OCCCCl CS-W017752 [0,1,0,0,0,0|0,0,0]=1 184 B7R0.4 CC(=O)OCCCI CS-0166646 [0,1,0,0,0,0|0,0,0]=1 185 B7R0.4 CC(C)CCCCBr CS-0154231 [0,1,0,0,0,0|2,0,1]=4 186 B7R0.4 CC(C)CCCCO CS-W011227 [0,1,0,0,0,0|2,0,1]=4 187 B7R0.4 CC(O)CCCCO CS-0572924 [0,1,0,0,0,0|1,0,2]=4 188 B7R0.4 CCCCCC(C)O CS-W016595 [0,1,0,0,0,0|1,0,2]=4 189 B7R0.4 CCCCC[C@@H](C)O CS-0152365 [0,1,0,0,0,0|1,0,2]=4 190 B7R0.4 CCCCC[C@H](C)O CS-0179417 [0,1,0,0,0,0|1,0,2]=4 191 B7R0.4 CCCCNC(N)=O CS-0071736 [0,1,0,0,0,0|2,0,0]=3 192 B7R0.4 CCCCNC(N)=S CS-0132422 [0,1,0,0,0,0|2,1,0]=4 193 B7R0.4 CCCCOC(=S)[S-] CS-0187867 [0,1,0,0,0,0|1,1,0]=3 194 B7R0.4 CCCNCC(=O)O CS-0250530 [0,1,0,0,0,0|2,0,0]=3 195 B7R0.4 CCCOCC(=O)O CS-0152048 [0,1,0,0,0,0|1,0,0]=2 196 B7R0.4 CCCSCC(=O)O CS-0651549 [0,1,0,0,0,0|1,1,0]=3 197 B7R0.4 CCC\C=C\C(=O)O CS-W011247 [0,1,0,0,0,0|2,0,0]=3 198 B7R0.4 CCC\C=C\C(C)=O CS-0152429 [0,1,0,0,0,0|1,0,0]=2 199 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [0,1,0,0,0,0|2,0,1]=4 200 B7R0.4 CC\C=C\CC(=O)O CS-W011248 [0,1,0,0,0,0|2,0,1]=4 201 B7R0.4 CN(C)CCCCCl CS-0059660 [0,1,0,0,0,0|3,0,0]=4 202 B7R0.4 CN(C)CCCCN CS-0206346 [0,1,0,0,0,0|3,0,0]=4 203 B7R0.4 CN(C)CCCCN CS-0669419 [0,1,0,0,0,0|3,0,0]=4 204 B7R0.4 CN(C)CCCCO CS-W022016 [0,1,0,0,0,0|3,0,0]=4 205 B7R0.4 CNCCCC(=O)O CS-0096860 [0,1,0,0,0,0|2,0,0]=3 206 B7R0.4 CNCCCC(=O)O CS-0133777 [0,1,0,0,0,0|2,0,0]=3 207 B7R0.4 COCCCC(=O)O CS-W001021 [0,1,0,0,0,0|2,0,0]=3 208 B7R0.4 COCCNC(N)=S CS-0150176 [0,1,0,0,0,0|2,1,0]=4 209 B7R0.4 COC\C=C\C(=O)O CS-0100437 [0,1,0,0,0,0|2,0,1]=4 210 B7R0.4 C\C=C\CCC(=O)O CS-0232064 [0,1,0,0,0,0|2,0,1]=4 211 B7R0.4 N#CCCCC(=O)O CS-W018817 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.4 NC(=O)COCCCl CS-0149936 [0,1,0,0,0,0|2,0,0]=3 213 B7R0.4 NCCCCC(=O)O CS-0181832 [0,1,0,0,0,0|2,0,0]=3 214 B7R0.4 NCCCCC(=O)O CS-W016594 [0,1,0,0,0,0|2,0,0]=3 215 B7R0.4 NCCNCC(=O)O CS-W013599 [0,1,0,0,0,0|3,0,0]=4 216 B7R0.4 NCCOCC(=O)O CS-0115741 [0,1,0,0,0,0|2,0,0]=3 217 B7R0.4 NCCOCC(=O)O CS-0115743 [0,1,0,0,0,0|2,0,0]=3 218 B7R0.4 NCCOCC(=O)O CS-0127947 [0,1,0,0,0,0|2,0,0]=3 219 B7R0.4 O=C(O)C#CCCO CS-0371334 [0,1,0,0,0,0|2,0,1]=4 220 B7R0.4 O=C(O)CCCCBr CS-W017172 [0,1,0,0,0,0|2,0,0]=3 221 B7R0.4 O=C(O)CCCCCl CS-W022362 [0,1,0,0,0,0|2,0,0]=3 222 B7R0.4 O=C(O)CNCCO CS-0158315 [0,1,0,0,0,0|3,0,0]=4 223 B7R0.4 O=C(O)COCCBr CS-0105329 [0,1,0,0,0,0|2,0,0]=3 224 B7R0.4 O=C(O)COCCCl CS-W006556 [0,1,0,0,0,0|2,0,0]=3 225 B7R0.4 O=C(O)COCCS CS-0115755 [0,1,0,0,0,0|2,0,0]=3 226 B7R0.4 O=C(O)COCCS CS-0115757 [0,1,0,0,0,0|2,0,0]=3 227 B7R0.4 O=C([O-])COCCO CS-0158309 [0,1,0,0,0,0|2,0,0]=3 228 B7R0.4 O=[N+]([O-])OCCCO CS-0213543 [0,1,0,0,0,0|2,0,0]=3 229 B7R0.5 CC(=O)N(C)CCO CS-0112257 [0,1,0,0,0,0|2,0,0]=3 230 B7R0.5 CCCC(=O)C(C)=O CS-0258819 [0,1,0,0,0,0|1,0,0]=2 231 B7R0.5 CCCC(C)C(=O)O CS-W011232 [0,1,0,0,0,0|2,0,0]=3 232 B7R0.5 CCCC(N)C(=O)O CS-W011226 [0,1,0,0,0,0|2,0,0]=3 233 B7R0.5 CCC[C@@H](N)C(=O)O CS-0015963 [0,1,0,0,0,0|2,0,0]=3 234 B7R0.5 CCC[C@H](N)C(=O)O CS-D1371 [0,1,0,0,0,0|2,0,0]=3 235 B7R0.5 CCC[C@H](O)C(=O)O CS-W007126 [0,1,0,0,0,0|2,0,0]=3 236 B7R0.5 CCOC(=O)C(=O)O CS-W018770 [0,1,0,0,0,0|3,0,0]=4 237 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [0,1,0,0,0,0|3,0,0]=4 238 B7R0.5 CCOC(=O)C(C)=O CS-0017821 [0,1,0,0,0,0|2,0,0]=3 239 B7R0.5 CCOC(=O)C(N)=O CS-0008213 [0,1,0,0,0,0|3,0,0]=4 240 B7R0.5 CC\C=C(/C)C(=O)O CS-0031404 [0,1,0,0,0,0|2,0,1]=4 241 B7R0.5 CC\C=C(/C)C(=O)O CS-W011249 [0,1,0,0,0,0|2,0,1]=4 242 B7R0.5 CNC[C@H](N)C(=O)O CS-W016262 [0,1,0,0,0,0|3,0,0]=4 243 B7R0.5 CNC[C@H](O)C(=O)O CS-1135890 [0,1,0,0,0,0|3,0,0]=4 244 B7R0.5 COCC(Br)C(=O)O CS-0197352 [0,1,0,0,0,0|3,0,0]=4 245 B7R0.5 COCC(N)C(=O)O CS-W013587 [0,1,0,0,0,0|3,0,0]=4 246 B7R0.5 COC[C@@H](N)C(=O)O CS-0031341 [0,1,0,0,0,0|3,0,0]=4 247 B7R0.5 COC[C@@H](N)C(=O)O CS-M1253 [0,1,0,0,0,0|3,0,0]=4 248 B7R0.5 COC[C@H](N)C(=O)O CS-0031368 [0,1,0,0,0,0|3,0,0]=4 249 B7R0.5 COC[C@H](N)C(=O)O CS-W006151 [0,1,0,0,0,0|3,0,0]=4 250 B7R0.5 CSCC(N)C(=O)O CS-0071070 [0,1,0,0,0,0|3,0,0]=4 251 B7R0.5 CSC[C@@H](N)C(=O)O CS-0804731 [0,1,0,0,0,0|3,0,0]=4 252 B7R0.5 CSC[C@H](N)C(=O)O CS-7653 [0,1,0,0,0,0|3,0,0]=4 253 B7R0.5 C[Se]C[C@H](N)C(=O)O CS-0080570 [0,1,0,0,0,0|3,0,0]=4 254 B7R0.5 NC(CCO)C(=O)O CS-W013586 [0,1,0,0,0,0|3,0,0]=4 255 B7R0.5 NC(CCS)C(=O)O CS-W021561 [0,1,0,0,0,0|3,0,0]=4 256 B7R0.5 NCCC(F)C(=O)O CS-0094454 [0,1,0,0,0,0|3,0,0]=4 257 B7R0.5 NCCC(N)C(=O)O CS-W010735 [0,1,0,0,0,0|3,0,0]=4 258 B7R0.5 NCC[C@H](N)C(=O)O CS-0169369 [0,1,0,0,0,0|3,0,0]=4 259 B7R0.5 NCC[C@H](N)C(=O)O CS-6314 [0,1,0,0,0,0|3,0,0]=4 260 B7R0.5 NCC[C@H](O)C(=O)O CS-W002667 [0,1,0,0,0,0|3,0,0]=4 261 B7R0.5 N[C@@H](CCO)C(=O)O CS-W002292 [0,1,0,0,0,0|3,0,0]=4 262 B7R0.5 N[C@@H](CCS)C(=O)O CS-W011063 [0,1,0,0,0,0|3,0,0]=4 263 B7R0.5 N[C@H](CCO)C(=O)O CS-W011215 [0,1,0,0,0,0|3,0,0]=4 264 B7R0.5 [C@H](N)(CCN)C(=O)O CS-W010734 [0,1,0,0,0,0|3,0,0]=4 265 B7R0.6 C(C(C)=O)=CN(C)C CS-W016611 [0,1,0,0,0,0|2,0,1]=4 266 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [0,1,0,0,0,0|2,0,1]=4 267 B7R0.6 C=C(C)CCC(C)=O CS-0225159 [0,1,0,0,0,0|1,0,1]=3 268 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [0,1,0,0,0,0|2,0,1]=4 269 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [0,1,0,0,0,0|1,0,1]=3 270 B7R0.6 CC(=O)CNC(C)=O CS-0154040 [0,1,0,0,0,0|1,0,1]=3 271 B7R0.6 CC(=O)NCC(=O)O CS-W020121 [0,1,0,0,0,0|2,0,1]=4 272 B7R0.6 CC(=O)OCC(=O)O CS-0155005 [0,1,0,0,0,0|1,0,1]=3 273 B7R0.6 CC(=O)OCC(N)=S CS-0248602 [0,1,0,0,0,0|1,0,1]=3 274 B7R0.6 CC(=O)SCC(=O)O CS-0083252 [0,1,0,0,0,0|1,1,1]=4 275 B7R0.6 CC(=O)\C=C\C(C)C CS-0199438 [0,1,0,0,0,0|1,0,1]=3 276 B7R0.6 CC(C)CCC(=O)O CS-W016598 [0,1,0,0,0,0|2,0,0]=3 277 B7R0.6 CC(C)CCC(C)O CS-0225168 [0,1,0,0,0,0|1,0,2]=4 278 B7R0.6 CC(C)OCC(=O)O CS-0005425 [0,1,0,0,0,0|3,0,0]=4 279 B7R0.6 CC(C)\C=C\C(=O)O CS-0206284 [0,1,0,0,0,0|2,0,1]=4 280 B7R0.6 CC(C)\C=C\C(=O)O CS-0642794 [0,1,0,0,0,0|2,0,1]=4 281 B7R0.6 CC(N)CCC(=O)O CS-0276521 [0,1,0,0,0,0|2,0,0]=3 282 B7R0.6 CC(O)CCC(C)O CS-0377979 [0,1,0,0,0,0|1,0,2]=4 283 B7R0.6 CN(C)CCC(=O)O CS-W007826 [0,1,0,0,0,0|3,0,0]=4 284 B7R0.6 C[C@@H](O)CC[C@@H](C)O CS-0040431 [0,1,0,0,0,0|1,0,2]=4 285 B7R0.6 C[C@H](N)CCC(=O)O CS-0529054 [0,1,0,0,0,0|2,0,0]=3 286 B7R0.6 C[C@H](O)CC[C@H](C)O CS-W013595 [0,1,0,0,0,0|1,0,2]=4 287 B7R0.6 C[S+](C)CCC(=O)O CS-0158148 [0,1,0,0,0,0|3,0,0]=4 288 B7R0.6 O=C(O)CCC(F)F CS-0375270 [0,1,0,0,0,0|3,0,0]=4 289 B7R0.8 C#CCOS(C)(=O)=O CS-0158537 [0,1,0,0,0,0|1,0,2]=4 290 B7R0.8 CC(C)(C)OCCO CS-0031602 [0,1,0,0,0,0|2,0,1]=4 291 B7R0.8 CCCCC(C)(C)O CS-0181812 [0,1,0,0,0,0|1,0,2]=4 292 B7R0.8 CCCC[N+](C)(C)C CS-0187556 [0,1,0,0,0,0|3,0,0]=4 293 B7R0.8 CCCNS(N)(=O)=O CS-0008706 [0,1,0,0,0,0|3,0,0]=4 294 B7R0.8 CCCNS(N)(=O)=O CS-0012532 [0,1,0,0,0,0|3,0,0]=4 295 B7R0.8 CCCOS(C)(=O)=O CS-0152047 [0,1,0,0,0,0|1,0,0]=2 296 B7R0.8 CS(=O)(=O)CCCBr CS-0142400 [0,1,0,0,0,0|3,0,0]=4 297 B7R0.8 CS(=O)(=O)CCCN CS-0150131 [0,1,0,0,0,0|3,0,0]=4 298 B7R0.8 CS(=O)(=O)CCCO CS-W004952 [0,1,0,0,0,0|3,0,0]=4 299 B7R0.8 CS(=O)(=O)NCCCl CS-0145332 [0,1,0,0,0,0|3,0,0]=4 300 B7R0.8 CS(=O)(=O)NCCN CS-0067413 [0,1,0,0,0,0|3,0,0]=4 301 B7R0.8 NCCOP(=O)(O)O CS-0032139 [0,1,0,0,0,0|3,0,0]=4 302 B7R0.8 NCCOS(=O)(=O)O CS-0059227 [0,1,0,0,0,0|3,0,0]=4 303 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [0,0,0,1,0,0|1,0,2]=4 304 B7R1.2 CC1=CC(C)=NO1 CS-0005667 [0,0,0,1,0,0|2,0,1]=4 305 B7R1.2 CC1=NOC(=O)O1 CS-0460220 [0,0,0,1,0,0|2,0,1]=4 306 B7R1.2 CC1C=CC(=O)O1 CS-0152699 [0,0,0,1,0,0|2,0,1]=4 307 B7R1.2 CC1CCC(=O)O1 CS-W016654 [0,0,0,1,0,0|2,0,0]=3 308 B7R1.2 CC1CNC(=O)C1 CS-0040667 [0,0,0,1,0,0|1,0,0]=2 309 B7R1.2 CC1COC(=O)N1 CS-0181060 [0,0,0,1,0,0|1,0,0]=2 310 B7R1.2 CN1CCC(=O)C1 CS-0172438 [0,0,0,1,0,0|2,0,0]=3 311 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [0,0,0,1,0,0|2,0,0]=3 312 B7R1.2 C[C@@H]1CC[C@@H](C)N1 CS-0111299 [0,0,0,1,0,0|2,0,1]=4 313 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [0,0,0,1,0,0|2,0,0]=3 314 B7R1.2 C[C@@H]1COC(=O)N1 CS-0158229 [0,0,0,1,0,0|1,0,0]=2 315 B7R1.2 C[C@@H]1COC(=O)O1 CS-0015926 [0,0,0,1,0,0|1,0,0]=2 316 B7R1.2 C[C@@H]1CSC(=S)N1 CS-0634153 [0,0,0,1,0,0|1,2,0]=4 317 B7R1.2 C[C@H]1CC(=O)CN1 CS-0567258 [0,0,0,1,0,0|2,0,0]=3 318 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,0,0,1,0,0|2,0,0]=3 319 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [0,0,0,1,0,0|1,0,0]=2 320 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [0,0,0,1,0,0|1,0,0]=2 321 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [0,0,0,1,0,0|1,0,0]=2 322 B7R1.2 C[C@H]1CSC(=S)N1 CS-0643969 [0,0,0,1,0,0|1,2,0]=4 323 B7R1.2 NC1CNC(=O)C1 CS-W023257 [0,0,0,1,0,0|2,0,0]=3 324 B7R1.2 N[C@@H]1CNC(=O)C1 CS-W003954 [0,0,0,1,0,0|2,0,0]=3 325 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,0,0,1,0,0|1,0,0]=2 326 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,0,0,1,0,0|1,0,0]=2 327 B7R1.2 O=C1C=CC(O)C1 CS-0139552 [0,0,0,1,0,0|2,0,1]=4 328 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,0,0,1,0,0|2,0,0]=3 329 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,0,0,1,0,0|2,0,1]=4 330 B7R1.2 O=C1CCC(O)C1 CS-0051334 [0,0,0,1,0,0|2,0,0]=3 331 B7R1.2 O=C1CNC(=O)C1 CS-0048723 [0,0,0,1,0,0|2,0,1]=4 332 B7R1.2 O=C1COC(=O)C1 CS-W016655 [0,0,0,1,0,0|1,0,1]=3 333 B7R1.2 O=C1COC(=O)N1 CS-0005564 [0,0,0,1,0,0|2,0,1]=4 334 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,0,0,1,0,0|2,0,0]=3 335 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [0,0,0,1,0,0|2,0,0]=3 336 B7R1.2 O=C1OCC(Cl)O1 CS-0046028 [0,0,0,1,0,0|2,0,0]=3 337 B7R1.2 O=C1OCC(F)O1 CS-0155468 [0,0,0,1,0,0|2,0,0]=3 338 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [0,0,0,1,0,0|1,0,0]=2 339 B7R1.3 BrC1=CCCCC1 CS-0155410 [0,0,0,1,0,0|2,0,0]=3 340 B7R1.3 BrC1=CCOCC1 CS-0069635 [0,0,0,1,0,0|3,0,0]=4 341 B7R1.3 BrC1CCCCC1 CS-W017925 [0,0,0,1,0,0|2,0,1]=4 342 B7R1.3 C=C1CCNCC1 CS-D0508 [0,0,0,1,0,0|3,0,0]=4 343 B7R1.3 CC1=CCCNC1 CS-0050445 [0,0,0,1,0,0|3,0,0]=4 344 B7R1.3 CC1=CCNCC1 CS-W004399 [0,0,0,1,0,0|3,0,0]=4 345 B7R1.3 CC1=NCCCO1 CS-1006941 [0,0,0,1,0,0|1,0,0]=2 346 B7R1.3 CC1CCOCO1 CS-0181838 [0,0,0,1,0,0|2,0,1]=4 347 B7R1.3 CC1CNCCO1 CS-0152670 [0,0,0,1,0,0|2,0,1]=4 348 B7R1.3 CC1CNCCO1 CS-D1584 [0,0,0,1,0,0|2,0,1]=4 349 B7R1.3 CC1SCCCS1 CS-0094743 [0,0,0,1,0,0|0,2,1]=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 B7R1.10 C=C1CC(CO)C1 CS-0185403 [0,0,0,1,0,0|3,0,0]=4 385 B7R1.10 COC1CC(=O)C1 CS-0051289 [0,0,0,1,0,0|2,0,0]=3 386 B7R1.10 N#CC1CC(=O)C1 CS-W004195 [0,0,0,1,0,0|2,0,1]=4 387 B7R1.10 NCC1CC(=O)C1 CS-0045539 [0,0,0,1,0,0|2,0,0]=3 388 B7R1.10 O=C1CC(CBr)C1 CS-0043859 [0,0,0,1,0,0|2,0,0]=3 389 B7R1.10 O=C1CC(CCl)C1 CS-0054362 [0,0,0,1,0,0|2,0,0]=3 390 B7R1.10 O=C1CC(CO)C1 CS-0045541 [0,0,0,1,0,0|2,0,0]=3 391 B7R1.12 CC1CC1C(=O)O CS-0072900 [0,0,0,1,0,0|2,0,0]=3 392 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0047824 [0,0,0,1,0,0|2,0,0]=3 393 B7R1.12 C[C@H]1C[C@@H]1C(=O)O CS-0089165 [0,0,0,1,0,0|2,0,0]=3 394 B7R1.12 O=C(O)C1CC1F CS-W006378 [0,0,0,1,0,0|3,0,0]=4 395 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [0,0,0,1,0,0|3,0,0]=4 396 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS-M3337 [0,0,0,1,0,0|3,0,0]=4 397 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-0058705 [0,0,0,1,0,0|3,0,0]=4 398 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-W000621 [0,0,0,1,0,0|3,0,0]=4 399 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS-0053630 [0,0,0,1,0,0|3,0,0]=4 400 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [0,0,0,1,0,0|3,0,0]=4 401 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-W020398 [0,0,0,1,0,0|3,0,0]=4 402 B7R1.14 CC1(C)CCCN1 CS-W021476 [0,0,0,1,0,0|2,0,1]=4 403 B7R1.14 CC1(N)CCCC1 CS-0119714 [0,0,0,1,0,0|2,0,1]=4 404 B7R1.14 O=S1(=O)CCCN1 CS-W001194 [0,0,0,1,0,0|3,0,0]=4 405 B7R1.14 O=S1(=O)CCCO1 CS-W011195 [0,0,0,1,0,0|2,0,0]=3 406 B7R1.14 O=S1(=O)OCCO1 CS-W007741 [0,0,0,1,0,0|3,0,0]=4 407 B7R1.18 CC(N)C1CCC1 CS-0052584 [0,0,0,1,0,0|2,0,1]=4 408 B7R1.18 CC(O)C1CCC1 CS-W006217 [0,0,0,1,0,0|1,0,2]=4 409 B7R1.18 NC(=O)C1CCC1 CS-D0904 [0,0,0,1,0,0|2,0,0]=3 410 B7R1.18 O=C(O)C1=CCC1 CS-0155456 [0,0,0,1,0,0|2,0,1]=4 411 B7R1.18 O=C(O)C1CCC1 CS-W011325 [0,0,0,1,0,0|2,0,0]=3 412 B7R1.18 O=C(O)C1CCN1 CS-M0178 [0,0,0,1,0,0|3,0,0]=4 413 B7R1.18 O=C(O)C1CCO1 CS-W006382 [0,0,0,1,0,0|3,0,0]=4 414 B7R1.18 O=C(O)C1CNC1 CS-0067915 [0,0,0,1,0,0|3,0,0]=4 415 B7R1.18 O=C(O)C1CNC1 CS-W019846 [0,0,0,1,0,0|3,0,0]=4 416 B7R1.18 O=C(O)[C@@H]1CCN1 CS-0031389 [0,0,0,1,0,0|3,0,0]=4 417 B7R1.18 O=C(O)[C@@H]1CCO1 CS-0148269 [0,0,0,1,0,0|3,0,0]=4 418 B7R1.18 O=C(O)[C@H]1CCN1 CS-W018478 [0,0,0,1,0,0|3,0,0]=4 419 B7R1.20 NC(=O)NC1CC1 CS-0073680 [0,0,0,1,0,0|2,0,0]=3 420 B7R1.20 O=C(O)CC1CC1 CS-W011326 [0,0,0,1,0,0|2,0,0]=3 421 B4R0.1 C=C(C)CN CS-0204398 [2,0,0,0,0,0|2,0,0]=4 422 B4R0.1 CC(=O)C=O CS-0031856 [2,0,0,0,0,0|1,0,1]=4 423 B4R0.1 CC(=O)CN CS-W004850 [2,0,0,0,0,0|1,0,0]=3 424 B4R0.1 CC(=O)CO CS-0017823 [2,0,0,0,0,0|1,0,0]=3 425 B4R0.1 CC(=O)NBr CS-0142503 [2,0,0,0,0,0|2,0,0]=4 426 B4R0.1 CC(=O)NN CS-D1403 [2,0,0,0,0,0|2,0,0]=4 427 B4R0.1 CC(=O)NO CS-4881 [2,0,0,0,0,0|2,0,0]=4 428 B4R0.1 CC(=O)O[Ag] CS-0082496 [2,0,0,0,0,0|1,0,0]=3 429 B4R0.1 CC(=O)O[K] CS-W020131 [2,0,0,0,0,0|1,0,0]=3 430 B4R0.1 CCC(=N)N CS-W019290 [2,0,0,0,0,0|2,0,0]=4 431 B4R0.1 CCC(=N)S CS-W016672 [2,0,0,0,0,0|1,1,0]=4 432 B4R0.1 CCC(N)=O CS-W016688 [2,0,0,0,0,0|1,0,0]=3 433 B4R0.1 CC[C@@H](C)N CS-0379054 [2,0,0,0,0,0|1,0,1]=4 434 B4R0.1 CC[C@@H](C)O CS-0128797 [2,0,0,0,0,0|0,0,2]=4 435 B4R0.1 CC[C@H](C)N CS-0084847 [2,0,0,0,0,0|1,0,1]=4 436 B4R0.1 CNC(C)=O CS-0031873 [2,0,0,0,0,0|1,0,0]=3 437 B4R0.1 CNC(N)=O CS-W016687 [2,0,0,0,0,0|2,0,0]=4 438 B4R0.1 COC(=N)N CS-0114088 [2,0,0,0,0,0|2,0,0]=4 439 B4R0.1 COC(=N)N CS-W017615 [2,0,0,0,0,0|2,0,0]=4 440 B4R0.1 COC(=N)N CS-W019574 [2,0,0,0,0,0|2,0,0]=4 441 B4R0.1 COC(N)=O CS-0017839 [2,0,0,0,0,0|1,0,0]=3 442 B4R0.1 CS(=O)O[Na] CS-0019422 [2,0,0,0,0,0|2,0,0]=4 443 B4R0.1 NC(=O)CBr CS-W007330 [2,0,0,0,0,0|2,0,0]=4 444 B4R0.1 NC(=O)CI CS-0020050 [2,0,0,0,0,0|2,0,0]=4 445 B4R0.1 NC(=O)CO CS-W016686 [2,0,0,0,0,0|2,0,0]=4 446 B4R0.1 NCC(=O)O CS-0158475 [2,0,0,0,0,0|2,0,0]=4 447 B4R0.1 NCC(=O)O CS-0187433 [2,0,0,0,0,0|2,0,0]=4 448 B4R0.1 NCC(=O)O CS-B1641 [2,0,0,0,0,0|2,0,0]=4 449 B4R0.1 NCC(N)=O CS-0149938 [2,0,0,0,0,0|2,0,0]=4 450 B4R0.1 NCC(N)=O CS-W019695 [2,0,0,0,0,0|2,0,0]=4 451 B4R0.1 O=C([Co])OO CS-0111382 [2,0,0,0,0,0|2,0,0]=4 452 B4R0.1 O=C([Cu])OO CS-0188508 [2,0,0,0,0,0|2,0,0]=4 453 B4R0.1 [2H]C(=O)O[Na] CS-0542325 [2,0,0,0,0,0|2,0,0]=4 454 B4R0.2 C=CCCI CS-0139149 [2,0,0,0,0,0|1,0,1]=4 455 B4R0.2 C=CCCN CS-0028781 [2,0,0,0,0,0|1,0,1]=4 456 B4R0.2 CCCCN CS-0214149 [2,0,0,0,0,0|1,0,1]=4 457 B4R0.2 CCCNN CS-0152064 [2,0,0,0,0,0|2,0,0]=4 458 B4R0.2 CCNC=O CS-0187584 [2,0,0,0,0,0|1,0,0]=3 459 B4R0.2 CCNCC CS-0160324 [2,0,0,0,0,0|1,0,1]=4 460 B4R0.2 CCOC=N CS-0333913 [2,0,0,0,0,0|1,0,0]=3 461 B4R0.2 CNCCBr CS-0042068 [2,0,0,0,0,0|2,0,0]=4 462 B4R0.2 CNCCCl CS-W019383 [2,0,0,0,0,0|2,0,0]=4 463 B4R0.2 CNCCO CS-0542090 [2,0,0,0,0,0|2,0,0]=4 464 B4R0.2 CNCCO CS-W008875 [2,0,0,0,0,0|2,0,0]=4 465 B4R0.2 COCC#N CS-0128800 [2,0,0,0,0,0|1,0,1]=4 466 B4R0.2 COCCBr CS-0015336 [2,0,0,0,0,0|1,0,0]=3 467 B4R0.2 COCCI CS-0139205 [2,0,0,0,0,0|1,0,0]=3 468 B4R0.2 COCCO CS-0179325 [2,0,0,0,0,0|1,0,0]=3 469 B4R0.2 COCCO CS-0200432 [2,0,0,0,0,0|1,0,0]=3 470 B4R0.2 CSCCN CS-0063136 [2,0,0,0,0,0|1,1,0]=4 471 B4R0.2 CSCCO CS-0150086 [2,0,0,0,0,0|1,1,0]=4 472 B4R0.2 CSCSC CS-W013673 [2,0,0,0,0,0|1,1,0]=4 473 B4R0.2 NCCON CS-M2746 [2,0,0,0,0,0|2,0,0]=4 474 B4R0.2 NOCCO CS-W011361 [2,0,0,0,0,0|2,0,0]=4 475 B4R0.2 O=COO[Cs] CS-0534192 [2,0,0,0,0,0|2,0,0]=4 476 B4R0.2 O=COO[Cs] CS-W008901 [2,0,0,0,0,0|2,0,0]=4 477 B4R0.2 O=COO[K] CS-0644452 [2,0,0,0,0,0|2,0,0]=4 478 B4R0.2 O=COO[Rb] CS-0146110 [2,0,0,0,0,0|2,0,0]=4 479 B4R0.2 [Li]OOC=O CS-0013647 [2,0,0,0,0,0|2,0,0]=4 480 B6R0.1 C#CC(=O)NCC CS-0168077 [1,1,0,0,0,0|1,0,1]=4 481 B6R0.1 C=CC(=O)NCC CS-W013719 [1,1,0,0,0,0|1,0,1]=4 482 B6R0.1 C=CCC(=O)OC CS-0158011 [1,1,0,0,0,0|0,0,2]=4 483 B6R0.1 CC#CC(=O)OC CS-0066219 [1,1,0,0,0,0|0,0,2]=4 484 B6R0.1 CCC(=O)COC CS-0213932 [1,1,0,0,0,0|1,0,0]=3 485 B6R0.1 CCCC(=O)NN CS-0152447 [1,1,0,0,0,0|1,0,0]=3 486 B6R0.1 CCCC(Cl)CC CS-0102884 [1,1,0,0,0,0|1,0,1]=4 487 B6R0.1 CCCC(O)CO CS-0017222 [1,1,0,0,0,0|0,0,2]=4 488 B6R0.1 CCC[C@H](N)CO CS-M1841 [1,1,0,0,0,0|1,0,1]=4 489 B6R0.1 CCC[C@H](N)CO CS-M2256 [1,1,0,0,0,0|1,0,1]=4 490 B6R0.1 CCNC(=O)CBr CS-0239382 [1,1,0,0,0,0|1,0,0]=3 491 B6R0.1 CCOC(=O)C#N CS-0022374 [1,1,0,0,0,0|0,0,1]=3 492 B6R0.1 CCOC(=O)CN CS-W020007 [1,1,0,0,0,0|0,0,0]=2 493 B6R0.1 CCOC(=O)CO CS-W019892 [1,1,0,0,0,0|0,0,0]=2 494 B6R0.1 CCOC(=O)NN CS-W008412 [1,1,0,0,0,0|1,0,0]=3 495 B6R0.1 CCOC(C)CC CS-0196425 [1,1,0,0,0,0|1,0,1]=4 496 B6R0.1 CCO\C(C)=N\O CS-W013688 [1,1,0,0,0,0|0,0,1]=3 497 B6R0.1 CNC(=O)CC#N CS-W018827 [1,1,0,0,0,0|1,0,1]=4 498 B6R0.1 CNC(=O)CCCl CS-0143787 [1,1,0,0,0,0|1,0,0]=3 499 B6R0.1 CNC(=O)CCO CS-0188403 [1,1,0,0,0,0|1,0,0]=3 500 B6R0.1 CNCC(=O)O[Na] CS-0077129 [1,1,0,0,0,0|2,0,0]=4 501 B6R0.1 COC(=O)CC#N CS-W016657 [1,1,0,0,0,0|1,0,1]=4 502 B6R0.1 COC(=O)CCBr CS-W008728 [1,1,0,0,0,0|1,0,0]=3 503 B6R0.1 COC(=O)CCCl CS-0131786 [1,1,0,0,0,0|1,0,0]=3 504 B6R0.1 COC(=O)CCI CS-0615889 [1,1,0,0,0,0|1,0,0]=3 505 B6R0.1 COC(=O)CCN CS-W007648 [1,1,0,0,0,0|1,0,0]=3 506 B6R0.1 COC(=O)CCO CS-0022864 [1,1,0,0,0,0|1,0,0]=3 507 B6R0.1 COC(=O)CCS CS-0000049 [1,1,0,0,0,0|1,0,0]=3 508 B6R0.1 COC(=O)OCCl CS-0067504 [1,1,0,0,0,0|1,0,0]=3 509 B6R0.1 COCC(=O)NN CS-W005634 [1,1,0,0,0,0|2,0,0]=4 510 B6R0.1 NNC(=O)CCS CS-0513962 [1,1,0,0,0,0|2,0,0]=4 511 B6R0.1 O=C(CCl)NCO CS-0147071 [1,1,0,0,0,0|2,0,0]=4 512 B6R0.2 CC(=O)CC(N)=O CS-0134202 [1,1,0,0,0,0|1,0,1]=4 513 B6R0.2 CC(=O)CN(C)C CS-0204530 [1,1,0,0,0,0|1,0,0]=3 514 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [1,1,0,0,0,0|0,0,0]=2 515 B6R0.2 CC(=O)NC(C)C CS-M3536 [1,1,0,0,0,0|1,0,0]=3 516 B6R0.2 CC(=O)OC(C)Br CS-0135277 [1,1,0,0,0,0|0,0,0]=2 517 B6R0.2 CC(=O)[CH-]C(C)=O CS-0196895 [1,1,0,0,0,0|0,0,2]=4 518 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [1,1,0,0,0,0|0,0,2]=4 519 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085298 [1,1,0,0,0,0|0,0,2]=4 520 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085476 [1,1,0,0,0,0|0,0,2]=4 521 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0105902 [1,1,0,0,0,0|0,0,2]=4 522 B6R0.2 CC(C)CC(=O)O CS-0881782 [1,1,0,0,0,0|1,0,0]=3 523 B6R0.2 CC(C)CC(=O)O CS-W013696 [1,1,0,0,0,0|1,0,0]=3 524 B6R0.2 CC(C)CC(N)=S CS-0642935 [1,1,0,0,0,0|1,1,0]=4 525 B6R0.2 CC(C)C[C@H](C)O CS-0237477 [1,1,0,0,0,0|0,0,2]=4 526 B6R0.2 CC(C)NC(N)=O CS-0162822 [1,1,0,0,0,0|2,0,0]=4 527 B6R0.2 CC(C)OC(=S)[S-] CS-0154170 [1,1,0,0,0,0|1,1,0]=4 528 B6R0.2 CC(C)OC(N)=O CS-0119929 [1,1,0,0,0,0|1,0,0]=3 529 B6R0.2 CC(Cl)CN(C)C CS-0128777 [1,1,0,0,0,0|2,0,0]=4 530 B6R0.2 CC(N)CC(=O)O CS-W009549 [1,1,0,0,0,0|1,0,0]=3 531 B6R0.2 CC(O)CC(=O)O CS-0062335 [1,1,0,0,0,0|1,0,0]=3 532 B6R0.2 CC(O)CC(C)O CS-0377993 [1,1,0,0,0,0|0,0,2]=4 533 B6R0.2 CC(O)CC(N)=O CS-0435186 [1,1,0,0,0,0|1,0,0]=3 534 B6R0.2 CN(C)CC(=O)O CS-D1391 [1,1,0,0,0,0|2,0,0]=4 535 B6R0.2 CN(C)CC(=O)O CS-W001158 [1,1,0,0,0,0|2,0,0]=4 536 B6R0.2 C[C@@H](N)CN(C)C CS-0159973 [1,1,0,0,0,0|2,0,0]=4 537 B6R0.2 C[C@@H](O)CN(C)C CS-0138530 [1,1,0,0,0,0|2,0,0]=4 538 B6R0.2 C[C@@H](O)C[C@@H](C)O CS-0085737 [1,1,0,0,0,0|0,0,2]=4 539 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [1,1,0,0,0,0|1,0,0]=3 540 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [1,1,0,0,0,0|1,0,0]=3 541 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [1,1,0,0,0,0|1,0,0]=3 542 B6R0.2 C[C@H](O)C[C@H](C)O CS-0085738 [1,1,0,0,0,0|0,0,2]=4 543 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [1,1,0,0,0,0|1,0,0]=3 544 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [1,1,0,0,0,0|1,0,0]=3 545 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [1,1,0,0,0,0|1,0,0]=3 546 B6R0.3 CC(=O)C(=O)CBr CS-0199660 [1,1,0,0,0,0|1,0,1]=4 547 B6R0.3 CC(CBr)C(=O)O CS-W016048 [1,1,0,0,0,0|2,0,0]=4 548 B6R0.3 CC(CN)C(=O)O CS-W013690 [1,1,0,0,0,0|2,0,0]=4 549 B6R0.3 CCC(=O)C(=O)O CS-W007926 [1,1,0,0,0,0|1,0,1]=4 550 B6R0.3 CCC(=O)C(C)=O CS-W013714 [1,1,0,0,0,0|0,0,1]=3 551 B6R0.3 CCC(Br)C(N)=O CS-0152635 [1,1,0,0,0,0|1,0,0]=3 552 B6R0.3 CCC(N)C(=O)O CS-W011306 [1,1,0,0,0,0|1,0,0]=3 553 B6R0.3 CCC(N)C(N)=O CS-0197483 [1,1,0,0,0,0|1,0,0]=3 554 B6R0.3 CCC(O)C(N)=O CS-0232591 [1,1,0,0,0,0|1,0,0]=3 555 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [1,1,0,0,0,0|1,0,0]=3 556 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [1,1,0,0,0,0|1,0,0]=3 557 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [1,1,0,0,0,0|1,0,0]=3 558 B6R0.3 CC[C@@H](N)C(N)=O CS-0011806 [1,1,0,0,0,0|1,0,0]=3 559 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [1,1,0,0,0,0|1,0,0]=3 560 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [1,1,0,0,0,0|1,0,0]=3 561 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [1,1,0,0,0,0|1,0,0]=3 562 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [1,1,0,0,0,0|1,0,0]=3 563 B6R0.3 CC[C@H](N)C(N)=O CS-0011803 [1,1,0,0,0,0|1,0,0]=3 564 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [1,1,0,0,0,0|1,0,0]=3 565 B6R0.3 CC[C@H](N)[C@@H](C)O CS-0183871 [1,1,0,0,0,0|0,0,2]=4 566 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [1,1,0,0,0,0|1,0,0]=3 567 B6R0.3 CNC(C)C(=O)O CS-W011307 [1,1,0,0,0,0|2,0,0]=4 568 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [1,1,0,0,0,0|2,0,0]=4 569 B6R0.3 COC(=O)C(C)=O CS-W013701 [1,1,0,0,0,0|1,0,1]=4 570 B6R0.3 COC(C)C(=O)O CS-W004806 [1,1,0,0,0,0|2,0,0]=4 571 B6R0.3 CON(C)C(C)=O CS-W001095 [1,1,0,0,0,0|2,0,0]=4 572 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [1,1,0,0,0,0|2,0,0]=4 573 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [1,1,0,0,0,0|2,0,0]=4 574 B6R0.3 C[C@@H](CN)C(=O)O CS-0062338 [1,1,0,0,0,0|2,0,0]=4 575 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [1,1,0,0,0,0|2,0,0]=4 576 B6R0.3 C[C@H](CN)C(=O)O CS-0444634 [1,1,0,0,0,0|2,0,0]=4 577 B6R0.3 NC(=O)C(Br)CBr CS-0013982 [1,1,0,0,0,0|2,0,0]=4 578 B6R0.3 NC(=O)[C@@H](N)CO CS-W008254 [1,1,0,0,0,0|2,0,0]=4 579 B6R0.3 NC(=O)[C@H](N)CO CS-0158516 [1,1,0,0,0,0|2,0,0]=4 580 B6R0.3 NC(CO)C(=O)O CS-0015292 [1,1,0,0,0,0|2,0,0]=4 581 B6R0.3 NC(CS)C(=O)O CS-0201576 [1,1,0,0,0,0|2,0,0]=4 582 B6R0.3 NC(CS)C(=O)O CS-W013566 [1,1,0,0,0,0|2,0,0]=4 583 B6R0.3 NC(CS)C(=O)O CS-W014367 [1,1,0,0,0,0|2,0,0]=4 584 B6R0.3 NC(CS)C(=O)O CS-W017432 [1,1,0,0,0,0|2,0,0]=4 585 B6R0.3 NCC(F)C(=O)O CS-W011291 [1,1,0,0,0,0|2,0,0]=4 586 B6R0.3 NCC(N)C(=O)O CS-0130703 [1,1,0,0,0,0|2,0,0]=4 587 B6R0.3 NCC(N)C(=O)O CS-W014390 [1,1,0,0,0,0|2,0,0]=4 588 B6R0.3 NCC(O)C(=O)O CS-W013682 [1,1,0,0,0,0|2,0,0]=4 589 B6R0.3 NC[C@@H](N)C(=O)O CS-0311806 [1,1,0,0,0,0|2,0,0]=4 590 B6R0.3 NC[C@@H](N)C(=O)O CS-W011028 [1,1,0,0,0,0|2,0,0]=4 591 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [1,1,0,0,0,0|2,0,0]=4 592 B6R0.3 NC[C@H](N)C(=O)O CS-W014389 [1,1,0,0,0,0|2,0,0]=4 593 B6R0.3 N[C@@H](CCl)C(=O)O CS-7792 [1,1,0,0,0,0|2,0,0]=4 594 B6R0.3 N[C@@H](CO)C(=O)O CS-0201873 [1,1,0,0,0,0|2,0,0]=4 595 B6R0.3 N[C@@H](CO)C(=O)O CS-W020136 [1,1,0,0,0,0|2,0,0]=4 596 B6R0.3 N[C@@H](CS)C(=O)O CS-W009027 [1,1,0,0,0,0|2,0,0]=4 597 B6R0.3 N[C@@H](CS)C(=O)O CS-W017431 [1,1,0,0,0,0|2,0,0]=4 598 B6R0.3 N[C@@H](CS)C(=O)O CS-W018517 [1,1,0,0,0,0|2,0,0]=4 599 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [1,1,0,0,0,0|2,0,0]=4 600 B6R0.3 N[C@H](CCl)C(=O)O CS-W016173 [1,1,0,0,0,0|2,0,0]=4 601 B6R0.3 N[C@H](CO)C(=O)O CS-D1751 [1,1,0,0,0,0|2,0,0]=4 602 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [1,1,0,0,0,0|2,0,0]=4 603 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [1,1,0,0,0,0|2,0,0]=4 604 B6R0.3 O=C(O)C(O)CCl CS-0186802 [1,1,0,0,0,0|2,0,0]=4 605 B6R0.3 O=C(O)C(O)CO CS-W018821 [1,1,0,0,0,0|2,0,0]=4 606 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [1,1,0,0,0,0|2,0,0]=4 607 B6R0.3 [C@H](C)(OC)C(=O)O CS-0044100 [1,1,0,0,0,0|2,0,0]=4 608 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [1,1,0,0,0,0|1,0,0]=3 609 B6R0.3 [C@H](O)(CN)C(=O)O CS-W013683 [1,1,0,0,0,0|2,0,0]=4 610 B6R0.5 CCCS(=O)(=O)[O-] CS-0148389 [1,1,0,0,0,0|2,0,0]=4 611 B6R0.5 CCCS(N)(=O)=O CS-W022937 [1,1,0,0,0,0|2,0,0]=4 612 B6R0.5 CCC[N+](C)(C)C CS-0152572 [1,1,0,0,0,0|2,0,0]=4 613 B6R0.5 CCOS(C)(=O)=O CS-W016570 [1,1,0,0,0,0|1,0,0]=3 614 B6R0.5 CS(=O)(=O)CCBr CS-0084612 [1,1,0,0,0,0|2,0,0]=4 615 B6R0.5 CS(=O)(=O)CCN CS-0139140 [1,1,0,0,0,0|2,0,0]=4 616 B6R0.5 CS(=O)(=O)CCN CS-W003121 [1,1,0,0,0,0|2,0,0]=4 617 B6R0.5 CS(=O)(=O)CCO CS-0059238 [1,1,0,0,0,0|2,0,0]=4 618 B6R0.6 BrCCOCCBr CS-W014174 [1,1,0,0,0,0|1,0,1]=4 619 B6R0.6 C(CC)=CCCO CS-W009552 [1,1,0,0,0,0|2,0,0]=4 620 B6R0.6 C(CO)=CCCC CS-W016652 [1,1,0,0,0,0|1,0,0]=3 621 B6R0.6 C=CCCCCBr CS-W008939 [1,1,0,0,0,0|1,0,1]=4 622 B6R0.6 C=CCCCCN CS-0210385 [1,1,0,0,0,0|1,0,1]=4 623 B6R0.6 C=CCCCCO CS-W013711 [1,1,0,0,0,0|1,0,1]=4 624 B6R0.6 C=CCOCCO CS-0157967 [1,1,0,0,0,0|1,0,1]=4 625 B6R0.6 C=COCCON CS-M0262 [1,1,0,0,0,0|1,0,1]=4 626 B6R0.6 CCCCCCI CS-0132388 [1,1,0,0,0,0|1,0,1]=4 627 B6R0.6 CCCCCCN CS-0196786 [1,1,0,0,0,0|1,0,1]=4 628 B6R0.6 CCCNCCC CS-0187381 [1,1,0,0,0,0|1,0,1]=4 629 B6R0.6 CCCNCCC CS-0214120 [1,1,0,0,0,0|1,0,1]=4 630 B6R0.6 CCCNCCO CS-0105782 [1,1,0,0,0,0|1,0,1]=4 631 B6R0.6 CCCOCCCl CS-0200392 [1,1,0,0,0,0|0,0,1]=3 632 B6R0.6 CCC\C=C\C=O CS-0099263 [1,1,0,0,0,0|1,0,0]=3 633 B6R0.6 CCNCCCN CS-0151962 [1,1,0,0,0,0|1,0,1]=4 634 B6R0.6 CCOCCCO CS-W013685 [1,1,0,0,0,0|0,0,1]=3 635 B6R0.6 CC\C=C/CCO CS-W011323 [1,1,0,0,0,0|2,0,0]=4 636 B6R0.6 CNCCCCBr CS-0163109 [1,1,0,0,0,0|2,0,0]=4 637 B6R0.6 CNCCCCO CS-W006493 [1,1,0,0,0,0|2,0,0]=4 638 B6R0.6 COCCCCBr CS-W021313 [1,1,0,0,0,0|2,0,0]=4 639 B6R0.6 COCCCCCl CS-0039726 [1,1,0,0,0,0|2,0,0]=4 640 B6R0.6 COCCCCO CS-0150179 [1,1,0,0,0,0|2,0,0]=4 641 B6R0.6 CSCCCCO CS-0204406 [1,1,0,0,0,0|2,0,0]=4 642 B6R0.6 ICCOCCI CS-W011980 [1,1,0,0,0,0|1,0,1]=4 643 B6R0.6 NCCOCCN CS-0114847 [1,1,0,0,0,0|1,0,1]=4 644 B6R0.6 NCCOCCN CS-0115750 [1,1,0,0,0,0|1,0,1]=4 645 B6R0.6 NCCOCCO CS-1013822 [1,1,0,0,0,0|1,0,1]=4 646 B6R0.6 NCCOCCO CS-1013830 [1,1,0,0,0,0|1,0,1]=4 647 B6R0.6 NCCOCCO CS-1014116 [1,1,0,0,0,0|1,0,1]=4 648 B6R0.6 OCCOCCBr CS-0114928 [1,1,0,0,0,0|1,0,1]=4 649 B6R0.6 OCCOCCCl CS-0016058 [1,1,0,0,0,0|1,0,1]=4 650 B6R0.6 OCCOCCF CS-0199113 [1,1,0,0,0,0|1,0,1]=4 651 B6R0.6 OCCOCCI CS-0139452 [1,1,0,0,0,0|1,0,1]=4 652 B8R0.2 CCC(C)C(N)C(=O)O CS-1225312 [0,2,0,0,0,0|2,0,0]=4 653 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CS-0011133 [0,2,0,0,0,0|2,0,0]=4 654 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CS-W009266 [0,2,0,0,0,0|2,0,0]=4 655 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CS-W013422 [0,2,0,0,0,0|2,0,0]=4 656 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CS-W018502 [0,2,0,0,0,0|2,0,0]=4 657 B8R0.5 CCC[C@H](N)CC(=O)O CS-0152590 [0,2,0,0,0,0|2,0,0]=4 658 B8R0.5 CCC[C@H](N)CC(=O)O CS-0678068 [0,2,0,0,0,0|2,0,0]=4 659 B8R0.5 CCC\C(C)=C\C(=O)O CS-0072967 [0,2,0,0,0,0|2,0,0]=4 660 B8R0.5 CCOC(=O)CC(C)=O CS-0016216 [0,2,0,0,0,0|1,0,1]=4 661 B8R0.5 COCC(C)OC(C)=O CS-0198137 [0,2,0,0,0,0|0,0,0]=2 662 B8R0.16 COC(CC(C)=O)OC CS-0008327 [0,2,0,0,0,0|2,0,0]=4 663 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [0,2,0,0,0,0|1,0,1]=4 664 B8R0.19 CCC(=O)CC(=O)OC CS-W011110 [0,2,0,0,0,0|1,0,1]=4 665 B8R0.19 CC[C@@H](O)CC(=O)OC CS-0852565 [0,2,0,0,0,0|1,0,0]=3 666 B8R0.19 CNC(C)CC(=O)OC CS-0124917 [0,2,0,0,0,0|2,0,0]=4 667 B8R0.19 COC(=O)N[C@@H](C)CN CS-0010956 [0,2,0,0,0,0|2,0,0]=4 668 B8R0.23 C=C(CC(C)C)C(C)=O CS-0132337 [0,2,0,0,0,0|1,0,0]=3 669 B8R0.23 CC(=O)C(=O)OC(C)C CS-M0668 [0,2,0,0,0,0|2,0,0]=4 670 B8R0.23 CC(=O)O[C@@H](C)C(=O)O CS-B0056 [0,2,0,0,0,0|1,0,1]=4 671 B8R0.23 CC(=O)O[C@H](C)C(=O)O CS-B0055 [0,2,0,0,0,0|1,0,1]=4 672 B8R0.23 CC(C)C(N)CC(=O)O CS-W013424 [0,2,0,0,0,0|2,0,0]=4 673 B8R0.23 CC(C)CC(=O)C(=O)O CS-W013438 [0,2,0,0,0,0|2,0,0]=4 674 B8R0.23 CC(C)CC(Br)C(=O)O CS-W021616 [0,2,0,0,0,0|2,0,0]=4 675 B8R0.23 CC(C)CC(N)C(=O)O CS-W020700 [0,2,0,0,0,0|2,0,0]=4 676 B8R0.23 CC(C)CC(N)C(N)=O CS-0154067 [0,2,0,0,0,0|2,0,0]=4 677 B8R0.23 CC(C)C[C@@H](N)C(=O)O CS-D1369 [0,2,0,0,0,0|2,0,0]=4 678 B8R0.23 CC(C)C[C@@H](N)C(N)=O CS-0169320 [0,2,0,0,0,0|2,0,0]=4 679 B8R0.23 CC(C)C[C@@H](O)C(=O)O CS-0000170 [0,2,0,0,0,0|2,0,0]=4 680 B8R0.23 CC(C)C[C@H](N)C(=O)O CS-W020705 [0,2,0,0,0,0|2,0,0]=4 681 B8R0.23 CC(C)C[C@H](N)C(N)=O CS-0128410 [0,2,0,0,0,0|2,0,0]=4 682 B8R0.23 CC(C)C[C@H](O)C(=O)O CS-0000169 [0,2,0,0,0,0|2,0,0]=4 683 B8R0.23 CC(C)[C@@H](N)CC(=O)O CS-0038681 [0,2,0,0,0,0|2,0,0]=4 684 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0039103 [0,2,0,0,0,0|2,0,0]=4 685 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CS-0201887 [0,2,0,0,0,0|2,0,0]=4 686 B8R0.23 [C@H](N)(CC(=O)O)C(C)C CS-W005787 [0,2,0,0,0,0|2,0,0]=4 687 B8R0.24 CCC(C)OC(C)(C)C CS-0187818 [0,2,0,0,0,0|1,0,1]=4 688 B8R0.34 CSC(C)(C)CC(C)=O CS-0199050 [0,2,0,0,0,0|2,0,0]=4 689 B8R0.1 C=CCOC(=O)OCC CS-0197813 [0,2,0,0,0,0|0,0,2]=4 690 B8R0.1 CCCNC(=O)CC#N CS-0215383 [0,2,0,0,0,0|1,0,0]=3 691 B8R0.1 CCCOC(=O)CC#N CS-0217234 [0,2,0,0,0,0|0,0,0]=2 692 B8R0.1 CCOC(=O)CCCBr CS-W020133 [0,2,0,0,0,0|2,0,0]=4 693 B8R0.1 CCOC(=O)CCCI CS-0029516 [0,2,0,0,0,0|2,0,0]=4 694 B8R0.1 CCOC(=O)CCCN CS-W010794 [0,2,0,0,0,0|2,0,0]=4 695 B8R0.1 CCOCC(=O)OCC CS-0151430 [0,2,0,0,0,0|2,0,0]=4 696 B8R0.3 CCCC(N)C(=O)OC CS-0152454 [0,2,0,0,0,0|1,0,0]=3 697 B8R0.3 CCC[C@H](N)C(=O)OC CS-0152592 [0,2,0,0,0,0|1,0,0]=3 698 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [0,2,0,0,0,0|2,0,0]=4 699 B8R0.3 COC(=O)C(C)CCCl CS-0205287 [0,2,0,0,0,0|2,0,0]=4 700 B8R0.3 COC(=O)[C@@H](N)CSC CS-0654810 [0,2,0,0,0,0|2,0,0]=4 701 B8R0.3 COC[C@@H](N)C(=O)OC CS-0162497 [0,2,0,0,0,0|2,0,0]=4 702 B8R0.6 C#CCCCC(=O)OC CS-0127624 [0,2,0,0,0,0|1,0,1]=4 703 B8R0.6 C=CC(=O)CCCCC CS-0168504 [0,2,0,0,0,0|1,0,1]=4 704 B8R0.6 C=CC(=O)NCCCC CS-0152107 [0,2,0,0,0,0|1,0,1]=4 705 B8R0.6 C=CCCCC(=O)OC CS-0015919 [0,2,0,0,0,0|1,0,1]=4 706 B8R0.6 CCCCCC(=O)NN CS-0152328 [0,2,0,0,0,0|2,0,0]=4 707 B8R0.6 CCCCNC(=O)CCl CS-0116592 [0,2,0,0,0,0|1,0,0]=3 708 B8R0.6 CCCCOC(=O)CN CS-0571899 [0,2,0,0,0,0|0,0,0]=2 709 B8R0.6 CCCCOC(=O)CS CS-0297731 [0,2,0,0,0,0|0,0,0]=2 710 B8R0.6 CCC\C=C\C(=O)OC CS-W013465 [0,2,0,0,0,0|1,0,0]=3 711 B8R0.6 CNCCCC(=O)OC CS-0112438 [0,2,0,0,0,0|1,0,0]=3 712 B8R0.6 COC(=O)CCCC#N CS-0216788 [0,2,0,0,0,0|1,0,1]=4 713 B8R0.6 COC(=O)CCCCBr CS-W022866 [0,2,0,0,0,0|1,0,0]=3 714 B8R0.6 COC(=O)CCCCCl CS-0098043 [0,2,0,0,0,0|1,0,0]=3 715 B8R0.6 COC(=O)CCCCN CS-0018002 [0,2,0,0,0,0|1,0,0]=3 716 B8R0.6 COC(=O)CCCCO CS-0021769 [0,2,0,0,0,0|1,0,0]=3 717 B8R0.6 COC(=O)COCCCl CS-0209481 [0,2,0,0,0,0|1,0,0]=3 718 B8R0.6 COCCCC(=O)OC CS-W011093 [0,2,0,0,0,0|1,0,0]=3 719 B8R0.6 COC\C=C\C(=O)OC CS-0528723 [0,2,0,0,0,0|1,0,1]=4 720 B8R0.6 O=C(CCCCO)O[Na] CS-0047732 [0,2,0,0,0,0|2,0,0]=4 721 B8R0.8 C=C(C)C(=O)NCCO CS-0160432 [0,2,0,0,0,0|2,0,0]=4 722 B8R0.8 C=C(C)C(=O)OCCN CS-0112263 [0,2,0,0,0,0|1,0,0]=3 723 B8R0.8 C=C(C)C(=O)OCCO CS-W013439 [0,2,0,0,0,0|1,0,0]=3 724 B8R0.8 CCCCC(=O)C(=O)O CS-0069654 [0,2,0,0,0,0|1,0,1]=4 725 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [0,2,0,0,0,0|2,0,0]=4 726 B8R0.8 CCCCC(O)C(=O)O CS-M0542 [0,2,0,0,0,0|2,0,0]=4 727 B8R0.8 CCCC[C@@H](N)C(=O)O CS-0019200 [0,2,0,0,0,0|2,0,0]=4 728 B8R0.8 CCCC[C@H](N)C(=O)O CS-W020710 [0,2,0,0,0,0|2,0,0]=4 729 B8R0.8 CSCCC(N)C(=O)O CS-0008889 [0,2,0,0,0,0|2,0,0]=4 730 B8R0.8 CSCCC(O)C(=O)O CS-0066284 [0,2,0,0,0,0|2,0,0]=4 731 B8R0.8 CSCC[C@@H](N)C(=O)O CS-7880 [0,2,0,0,0,0|2,0,0]=4 732 B8R0.8 CSCC[C@H](N)C(=O)O CS-W020566 [0,2,0,0,0,0|2,0,0]=4 733 B8R0.8 CSCC[C@H](N)C(N)=O CS-W016972 [0,2,0,0,0,0|2,0,0]=4 734 B8R0.8 C[Se]CCC(N)C(=O)O CS-4494 [0,2,0,0,0,0|2,0,0]=4 735 B8R0.8 C[Se]CC[C@H](N)C(=O)O CS-5178 [0,2,0,0,0,0|2,0,0]=4 736 B8R0.8 NCCCC(N)C(=O)O CS-0136494 [0,2,0,0,0,0|2,0,0]=4 737 B8R0.8 NCCC[C@@H](N)C(=O)O CS-0020076 [0,2,0,0,0,0|2,0,0]=4 738 B8R0.8 NCCC[C@H](N)C(=O)O CS-0159620 [0,2,0,0,0,0|2,0,0]=4 739 B8R0.8 NCCC[C@H](N)C(=O)O CS-4817 [0,2,0,0,0,0|2,0,0]=4 740 B8R0.8 [C@H](N)(CCCN)C(=O)O CS-W017734 [0,2,0,0,0,0|2,0,0]=4 741 B8R0.9 CC(=O)OCC(=O)CCl CS-W018134 [0,2,0,0,0,0|0,0,1]=3 742 B8R0.9 CNC(=O)CNC(C)=O CS-0277639 [0,2,0,0,0,0|1,0,1]=4 743 B8R0.9 COC(=O)CCC(C)=O CS-0023754 [0,2,0,0,0,0|1,0,1]=4 744 B8R0.9 COC(=O)CC[C@H](C)N CS-0572078 [0,2,0,0,0,0|1,0,0]=3 745 B8R0.9 COC(=O)CNC(C)=O CS-W013428 [0,2,0,0,0,0|1,0,1]=4 746 B8R0.9 COC(=O)CNC(C)C CS-0200417 [0,2,0,0,0,0|2,0,0]=4 747 B8R0.7 C#CCCCCC(=O)O CS-0020150 [0,2,0,0,0,0|2,0,0]=4 748 B8R0.7 C#CCCOCC(=O)O CS-0614377 [0,2,0,0,0,0|1,0,1]=4 749 B8R0.7 C=CCCCCC(=O)O CS-0097711 [0,2,0,0,0,0|2,0,0]=4 750 B8R0.7 CC(=O)NCCCCN CS-0453679 [0,2,0,0,0,0|1,0,0]=3 751 B8R0.7 CC(=O)OCCCCCl CS-W010967 [0,2,0,0,0,0|0,0,0]=2 752 B8R0.7 CCCCCCC(C)=O CS-W011125 [0,2,0,0,0,0|1,0,0]=3 753 B8R0.7 CCCCOCC(=O)O CS-0152080 [0,2,0,0,0,0|1,0,0]=3 754 B8R0.7 COCCOCC(=O)O CS-0084611 [0,2,0,0,0,0|1,0,0]=3 755 B8R0.7 COCCOCC(=O)O CS-0527879 [0,2,0,0,0,0|1,0,0]=3 756 B8R0.7 COCCOCC(=O)O CS-0527882 [0,2,0,0,0,0|1,0,0]=3 757 B8R0.7 NC(=O)CCCCCBr CS-0138401 [0,2,0,0,0,0|2,0,0]=4 758 B8R0.7 NCCCCCC(=O)O CS-2204 [0,2,0,0,0,0|2,0,0]=4 759 B8R0.7 NCCCCCC(N)=O CS-0137981 [0,2,0,0,0,0|2,0,0]=4 760 B8R0.7 O=C(O)CCCCCBr CS-W007559 [0,2,0,0,0,0|2,0,0]=4 761 B8R0.7 O=C(O)CCCCCCl CS-W018132 [0,2,0,0,0,0|2,0,0]=4 762 B8R0.7 O=C(O)CCCCCO CS-0158392 [0,2,0,0,0,0|2,0,0]=4 763 B8R0.7 O=C(O)CCCCC[O-] CS-0160664 [0,2,0,0,0,0|2,0,0]=4 764 B8R0.7 O=C(O)CCOCCBr CS-0107735 [0,2,0,0,0,0|2,0,0]=4 765 B8R0.7 O=C(O)CCOCCO CS-0066172 [0,2,0,0,0,0|2,0,0]=4 766 B8R0.7 O=C(O)CCOCCO CS-0528773 [0,2,0,0,0,0|2,0,0]=4 767 B8R0.7 O=C([O-])CCCCCO CS-0158395 [0,2,0,0,0,0|2,0,0]=4 768 B8R0.21 CC(C)(C)OCCCN CS-0205575 [0,2,0,0,0,0|1,0,1]=4 769 B8R0.21 CCCCOS(C)(=O)=O CS-W018582 [0,2,0,0,0,0|1,0,0]=3 770 B8R0.21 COCCOS(C)(=O)=O CS-W018040 [0,2,0,0,0,0|1,0,0]=3 771 B8R0.28 CC(=O)CCC=C(C)C CS-W011151 [0,2,0,0,0,0|1,0,1]=4 772 B8R0.28 CC(=O)CCCC(=O)O CS-W001957 [0,2,0,0,0,0|1,0,1]=4 773 B8R0.28 CC(=O)CCCC(C)C CS-0154232 [0,2,0,0,0,0|1,0,0]=3 774 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [0,2,0,0,0,0|1,0,1]=4 775 B8R0.28 CC(=O)OCC=C(C)C CS-W011131 [0,2,0,0,0,0|0,0,1]=3 776 B8R0.28 CC(=O)OCOC(C)=O CS-W004911 [0,2,0,0,0,0|0,0,1]=3 777 B8R0.28 CC(=O)O[PbH2]OC(C)=O CS-0197972 [0,2,0,0,0,0|1,0,1]=4 778 B8R0.28 CC(=O)SCCC(=O)O CS-W018187 [0,2,0,0,0,0|0,1,1]=4 779 B8R0.28 CC(=O)\C=C\CC(C)C CS-0657803 [0,2,0,0,0,0|1,0,0]=3 780 B8R0.28 CC(C)=CCC[C@@H](C)O CS-0726318 [0,2,0,0,0,0|2,0,0]=4 781 B8R0.28 CC(C)OCCC(=O)O CS-0247110 [0,2,0,0,0,0|2,0,0]=4 782 B8R0.28 CC(O)CCCC(=O)[O-] CS-0263549 [0,2,0,0,0,0|2,0,0]=4 783 B8R0.28 CN(C)CCCC(=O)O CS-0117583 [0,2,0,0,0,0|2,0,0]=4 784 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [0,2,0,0,0,0|2,0,0]=4 785 B8R0.12 CCCC(C)(C)C(=O)O CS-0205424 [0,2,0,0,0,0|2,0,0]=4 786 B8R0.15 CCCC(CC)C(=O)O CS-0152450 [0,2,0,0,0,0|2,0,0]=4 787 B8R0.15 CCCC(CN)C(=O)O CS-0259298 [0,2,0,0,0,0|2,0,0]=4 788 B8R0.29 CC(=O)OC[B-](F)(F)F CS-0091511 [0,2,0,0,0,0|2,0,0]=4 789 B8R0.29 CC(C)(N)CCC(=O)O CS-0273048 [0,2,0,0,0,0|2,0,0]=4 790 B8R0.29 CC(C)COS(C)(=O)=O CS-0182150 [0,2,0,0,0,0|1,0,0]=3 791 B8R0.29 CC(F)(F)CCC(=O)O CS-0248177 [0,2,0,0,0,0|2,0,0]=4 792 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [1,0,0,1,0,0|1,0,1]=4 793 B6R1.2 IC1CCCC1 CS-0067150 [1,0,0,1,0,0|1,0,1]=4 794 B6R1.2 N=C1CCCS1 CS-W016514 [1,0,0,1,0,0|1,1,0]=4 795 B6R1.2 NC1=NCCC1 CS-B0123 [1,0,0,1,0,0|2,0,0]=4 796 B6R1.2 O=C1C=CCC1 CS-W011359 [1,0,0,1,0,0|0,0,2]=4 797 B6R1.2 O=C1C=CCO1 CS-W008270 [1,0,0,1,0,0|0,0,2]=4 798 B6R1.2 O=C1CCCN1 CS-0197058 [1,0,0,1,0,0|1,0,0]=3 799 B6R1.2 O=C1CCNC1 CS-W005267 [1,0,0,1,0,0|1,0,0]=3 800 B6R1.2 O=C1CCNN1 CS-W001151 [1,0,0,1,0,0|2,0,0]=4 801 B6R1.2 O=C1CCOC1 CS-D1574 [1,0,0,1,0,0|1,0,0]=3 802 B6R1.2 O=C1CCSC1 CS-W011310 [1,0,0,1,0,0|1,0,0]=3 803 B6R1.2 O=C1NCCN1 CS-0075560 [1,0,0,1,0,0|2,0,0]=4 804 B6R1.2 O=C1NCCO1 CS-W007548 [1,0,0,1,0,0|1,0,0]=3 805 B6R1.2 O=C1NCCS1 CS-W023026 [1,0,0,1,0,0|1,1,0]=4 806 B6R1.2 O=S1CCCC1 CS-0207394 [1,0,0,1,0,0|1,0,0]=3 807 B6R1.2 O=S1OCCO1 CS-W013675 [1,0,0,1,0,0|2,0,0]=4 808 B6R1.2 S=C1NCCO1 CS-0097403 [1,0,0,1,0,0|1,1,0]=4 809 B6R1.2 SC1=NCCC1 CS-W013703 [1,0,0,1,0,0|1,1,0]=4 810 B6R1.5 CC1CC(N)C1 CS-W006905 [1,0,0,1,0,0|1,0,1]=4 811 B6R1.5 CN1CC(=O)C1 CS-0052428 [1,0,0,1,0,0|1,0,0]=3 812 B6R1.5 NC1CC(=O)C1 CS-W005321 [1,0,0,1,0,0|1,0,0]=3 813 B6R1.5 O=C1CC(O)C1 CS-0051337 [1,0,0,1,0,0|1,0,0]=3 814 B6R1.8 C=C1CC1CO CS-0054284 [1,0,0,1,0,0|2,0,0]=4 815 B6R1.10 CC1(N)CCC1 CS-W021359 [1,0,0,1,0,0|1,0,1]=4 816 B6R1.10 CC1(O)CCC1 CS-0168123 [1,0,0,1,0,0|0,0,2]=4 817 B6R1.11 CC(N)C1CC1 CS-0112917 [1,0,0,1,0,0|1,0,1]=4 818 B6R1.11 C[C@@H](N)C1CC1 CS-0034128 [1,0,0,1,0,0|1,0,1]=4 819 B6R1.11 C[C@H](N)C1CC1 CS-0036411 [1,0,0,1,0,0|1,0,1]=4 820 B6R1.11 N=C(N)C1CC1 CS-W022622 [1,0,0,1,0,0|2,0,0]=4 821 B6R1.11 NC(=O)C1CC1 CS-W011356 [1,0,0,1,0,0|1,0,0]=3 822 B6R1.11 NC(=O)C1CO1 CS-0067053 [1,0,0,1,0,0|2,0,0]=4 823 B6R1.11 NC(=S)C1CC1 CS-0144906 [1,0,0,1,0,0|1,1,0]=4 824 B6R1.11 O=C(O)C1CC1 CS-W018339 [1,0,0,1,0,0|1,0,0]=3 825 B6R1.1 C1=CCNCC1 CS-W021272 [1,0,0,1,0,0|2,0,0]=4 826 B6R1.1 C1CCNNC1 CS-0038680 [1,0,0,1,0,0|2,0,0]=4 827 B6R1.1 C1CCONC1 CS-W000777 [1,0,0,1,0,0|1,0,0]=3 828 B6R1.1 C1CSCCO1 CS-0155184 [1,0,0,1,0,0|1,0,1]=4 829 B6R1.4 CC1OCC1=O CS-0051833 [1,0,0,1,0,0|2,0,0]=4 830 B6R1.4 O=C1CCC1Br CS-0147268 [1,0,0,1,0,0|2,0,0]=4 831 B6R1.6 CNC1CCC1 CS-0054580 [1,0,0,1,0,0|2,0,0]=4 832 B6R1.6 ICC1CCO1 CS-0052227 [1,0,0,1,0,0|1,0,1]=4 833 B6R1.6 NCC1CCO1 CS-0048767 [1,0,0,1,0,0|1,0,1]=4 834 B6R1.6 NC[C@@H]1CCO1 CS-0100100 [1,0,0,1,0,0|1,0,1]=4 835 B6R1.6 O=CC1COC1 CS-0048764 [1,0,0,1,0,0|2,0,0]=4 836 B6R1.6 OCC1CCO1 CS-W019194 [1,0,0,1,0,0|1,0,1]=4 837 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [0,1,0,1,0,0|0,0,1]=3 838 B8R1.1 C=CC1COC(=O)O1 CS-W011250 [0,1,0,1,0,0|0,0,2]=4 839 B8R1.1 C=C[C@H]1COC(=O)C1 CS-0001483 [0,1,0,1,0,0|0,0,1]=3 840 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [0,1,0,1,0,0|1,0,0]=3 841 B8R1.1 CCC1COC(=O)N1 CS-0447690 [0,1,0,1,0,0|1,0,0]=3 842 B8R1.1 CCC1COC(=O)O1 CS-0187002 [0,1,0,1,0,0|0,0,0]=2 843 B8R1.1 CC[C@H]1COC(=O)N1 CS-0093963 [0,1,0,1,0,0|1,0,0]=3 844 B8R1.1 N#C[C@@H]1CCC(=O)C1 CS-0056414 [0,1,0,1,0,0|1,0,1]=4 845 B8R1.1 NCC1CCC(=O)N1 CS-0029734 [0,1,0,1,0,0|2,0,0]=4 846 B8R1.1 NCC1CCC(=O)N1 CS-0075962 [0,1,0,1,0,0|2,0,0]=4 847 B8R1.1 NCC1CNC(=O)C1 CS-0051184 [0,1,0,1,0,0|1,0,0]=3 848 B8R1.1 NC[C@@H]1CCC(=O)N1 CS-0144990 [0,1,0,1,0,0|2,0,0]=4 849 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [0,1,0,1,0,0|2,0,0]=4 850 B8R1.1 O=C1CC(CO)CN1 CS-0046664 [0,1,0,1,0,0|1,0,0]=3 851 B8R1.1 O=C1CC(CO)CO1 CS-0037642 [0,1,0,1,0,0|0,0,0]=2 852 B8R1.1 O=C1CCC(CO)C1 CS-0315717 [0,1,0,1,0,0|1,0,0]=3 853 B8R1.1 O=C1CCC(CO)N1 CS-W001608 [0,1,0,1,0,0|2,0,0]=4 854 B8R1.1 O=C1CCC(CO)O1 CS-0113560 [0,1,0,1,0,0|1,0,0]=3 855 B8R1.1 O=C1CC[C@@H](CBr)N1 CS-B0460 [0,1,0,1,0,0|2,0,0]=4 856 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [0,1,0,1,0,0|2,0,0]=4 857 B8R1.1 O=C1CC[C@H](CO)N1 CS-W001840 [0,1,0,1,0,0|2,0,0]=4 858 B8R1.1 O=C1NC(CO)CO1 CS-0309754 [0,1,0,1,0,0|1,0,0]=3 859 B8R1.1 O=C1NCC(CO)O1 CS-0113076 [0,1,0,1,0,0|1,0,0]=3 860 B8R1.1 O=C1NC[C@@H](CCl)O1 CS-0186187 [0,1,0,1,0,0|1,0,0]=3 861 B8R1.1 O=C1NC[C@@H](CO)O1 CS-0067235 [0,1,0,1,0,0|1,0,0]=3 862 B8R1.1 O=C1NC[C@H](CCl)O1 CS-0436811 [0,1,0,1,0,0|1,0,0]=3 863 B8R1.1 O=C1NC[C@H](CO)O1 CS-0131343 [0,1,0,1,0,0|1,0,0]=3 864 B8R1.1 O=C1N[C@@H](CF)CO1 CS-0256092 [0,1,0,1,0,0|1,0,0]=3 865 B8R1.1 O=C1N[C@@H](CI)CO1 CS-0149725 [0,1,0,1,0,0|1,0,0]=3 866 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [0,1,0,1,0,0|1,0,0]=3 867 B8R1.1 O=C1N[C@H](CO)CO1 CS-0216909 [0,1,0,1,0,0|1,0,0]=3 868 B8R1.1 O=C1OCC(CO)O1 CS-0158426 [0,1,0,1,0,0|1,0,0]=3 869 B8R1.1 OC1=NCC(CCl)O1 CS-W011062 [0,1,0,1,0,0|1,0,1]=4 870 B8R1.4 CC1=CC(=O)CCC1 CS-0128362 [0,1,0,1,0,0|1,0,1]=4 871 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [0,1,0,1,0,0|1,0,0]=3 872 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [0,1,0,1,0,0|1,0,0]=3 873 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [0,1,0,1,0,0|1,0,0]=3 874 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [0,1,0,1,0,0|0,0,0]=2 875 B8R1.4 CC1COCC(=O)N1 CS-0146686 [0,1,0,1,0,0|1,0,0]=3 876 B8R1.4 CC1COCC(C)N1 CS-0075433 [0,1,0,1,0,0|1,0,1]=4 877 B8R1.4 CN1CCNC(=O)C1 CS-W003814 [0,1,0,1,0,0|1,0,0]=3 878 B8R1.4 CN1CCOC(=O)C1 CS-W001837 [0,1,0,1,0,0|0,0,0]=2 879 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [0,1,0,1,0,0|1,0,0]=3 880 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [0,1,0,1,0,0|1,0,0]=3 881 B8R1.4 C[C@@H]1COCC(=O)N1 CS-0059832 [0,1,0,1,0,0|1,0,0]=3 882 B8R1.4 C[C@@H]1COC[C@@H](C)N1 CS-0084653 [0,1,0,1,0,0|1,0,1]=4 883 B8R1.4 C[C@@H]1COC[C@@H](C)N1 CS-0112796 [0,1,0,1,0,0|1,0,1]=4 884 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [0,1,0,1,0,0|1,0,0]=3 885 B8R1.4 C[C@H]1COCC(=O)N1 CS-W023097 [0,1,0,1,0,0|1,0,0]=3 886 B8R1.4 C[C@H]1COC[C@@H](C)N1 CS-0049722 [0,1,0,1,0,0|1,0,1]=4 887 B8R1.4 C[C@H]1COC[C@@H](C)N1 CS-0057260 [0,1,0,1,0,0|1,0,1]=4 888 B8R1.4 C[C@H]1COC[C@H](C)N1 CS-0102260 [0,1,0,1,0,0|1,0,1]=4 889 B8R1.4 C[C@H]1COC[C@H](C)N1 CS-0147828 [0,1,0,1,0,0|1,0,1]=4 890 B8R1.4 NC1=CC(=O)CCC1 CS-0032855 [0,1,0,1,0,0|1,0,1]=4 891 B8R1.4 NC1CCNC(=O)C1 CS-0051036 [0,1,0,1,0,0|1,0,0]=3 892 B8R1.4 O=C1C=C(Cl)CCC1 CS-0180958 [0,1,0,1,0,0|1,0,1]=4 893 B8R1.4 O=C1CC(O)CCN1 CS-W003628 [0,1,0,1,0,0|1,0,0]=3 894 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [0,1,0,1,0,0|1,0,1]=4 895 B8R1.4 O=C1CCCC(=O)N1 CS-W023103 [0,1,0,1,0,0|1,0,1]=4 896 B8R1.4 O=C1COCC(=O)O1 CS-0108764 [0,1,0,1,0,0|1,0,1]=4 897 B8R1.4 O=C1C[C@@H](O)CCN1 CS-W021175 [0,1,0,1,0,0|1,0,0]=3 898 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [0,1,0,1,0,0|1,0,0]=3 899 B8R1.18 CC1CC(=O)OC1=O CS-Z0015 [0,1,0,1,0,0|0,0,1]=3 900 B8R1.18 CN1CC(=O)OC1=O CS-0109855 [0,1,0,1,0,0|1,0,1]=4 901 B8R1.18 CN1CC(N)CC1=O CS-0051054 [0,1,0,1,0,0|2,0,0]=4 902 B8R1.18 CN1CC(N)CC1=O CS-0075445 [0,1,0,1,0,0|2,0,0]=4 903 B8R1.34 CC(=O)NC1CNC1 CS-0048846 [0,1,0,1,0,0|1,0,0]=3 904 B8R1.34 CC(C)OC1CNC1 CS-0005430 [0,1,0,1,0,0|1,0,1]=4 905 B8R1.34 CC(C)OC1CNC1 CS-0051664 [0,1,0,1,0,0|1,0,1]=4 906 B8R1.34 O=C(O)C=C1CCC1 CS-0045555 [0,1,0,1,0,0|2,0,0]=4 907 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [0,1,0,1,0,0|2,0,0]=4 908 B8R1.34 O=C(O)CC1COC1 CS-0045509 [0,1,0,1,0,0|2,0,0]=4 909 B8R1.40 NCC(=O)NC1CC1 CS-0077363 [0,1,0,1,0,0|1,0,0]=3 910 B8R1.40 O=C(CBr)NC1CC1 CS-0627309 [0,1,0,1,0,0|1,0,0]=3 911 B8R1.40 O\C(CCl)=N/C1CC1 CS-W005640 [0,1,0,1,0,0|1,0,1]=4 912 B8R1.42 CC1(CC(=O)O)CC1 CS-0029552 [0,1,0,1,0,0|2,0,0]=4 913 B8R1.51 CC1(C)CCC(=O)C1 CS-W018408 [0,1,0,1,0,0|1,0,0]=3 914 B8R1.51 CC1(C)CCC(=O)N1 CS-W022267 [0,1,0,1,0,0|2,0,0]=4 915 B8R1.51 CC1(C)CCC(=O)O1 CS-0061120 [0,1,0,1,0,0|2,0,0]=4 916 B8R1.51 CC1(C)CNC(=O)O1 CS-0139215 [0,1,0,1,0,0|2,0,0]=4 917 B8R1.51 CC1(C)COC(=S)N1 CS-0137631 [0,1,0,1,0,0|1,1,0]=4 918 B8R1.51 CC1(C)COC(O)=N1 CS-W011238 [0,1,0,1,0,0|1,0,1]=4 919 B8R1.51 CC1=NC(C)(C)CO1 CS-0204303 [0,1,0,1,0,0|1,0,0]=3 920 B8R1.51 CC1COS(=O)(=O)O1 CS-0208009 [0,1,0,1,0,0|2,0,0]=4 921 B8R1.51 C[C@@H]1COS(=O)(=O)O1 CS-0084570 [0,1,0,1,0,0|2,0,0]=4 922 B8R1.51 C[C@H]1COS(=O)(=O)O1 CS-0155182 [0,1,0,1,0,0|2,0,0]=4 923 B8R1.2 BrCC1CCCCO1 CS-0214963 [0,1,0,1,0,0|1,0,1]=4 924 B8R1.2 C#CC1=CCCCC1 CS-0186341 [0,1,0,1,0,0|2,0,0]=4 925 B8R1.2 COC1=NCCCC1 CS-0150206 [0,1,0,1,0,0|1,0,1]=4 926 B8R1.2 COC1CCCCO1 CS-0197358 [0,1,0,1,0,0|0,0,2]=4 927 B8R1.2 ICC1CCCCO1 CS-0058218 [0,1,0,1,0,0|1,0,1]=4 928 B8R1.2 N#CC1=CCCCC1 CS-0155409 [0,1,0,1,0,0|2,0,0]=4 929 B8R1.2 NOC1CCCCO1 CS-W007325 [0,1,0,1,0,0|0,0,2]=4 930 B8R1.2 O=CC1=CCCOC1 CS-W005965 [0,1,0,1,0,0|2,0,0]=4 931 B8R1.2 O=CN1CCCCC1 CS-W016610 [0,1,0,1,0,0|2,0,0]=4 932 B8R1.2 OCC1CCCCO1 CS-0034490 [0,1,0,1,0,0|0,0,2]=4 933 B8R1.3 CC1CCC(=O)CC1 CS-W013656 [0,1,0,1,0,0|1,0,0]=3 934 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [0,1,0,1,0,0|1,0,0]=3 935 B8R1.3 CC1CNC(=O)CO1 CS-0444103 [0,1,0,1,0,0|1,0,0]=3 936 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,1,0,1,0,0|2,0,0]=4 937 B8R1.3 C[C@@H]1CNC(=O)CO1 CS-0478990 [0,1,0,1,0,0|1,0,0]=3 938 B8R1.3 C[C@@H]1CO[C@H](C)CN1 CS-0158230 [0,1,0,1,0,0|1,0,1]=4 939 B8R1.3 C[C@H]1CNC(=O)CO1 CS-0478989 [0,1,0,1,0,0|1,0,0]=3 940 B8R1.3 C[C@H]1CO[C@@H](C)CN1 CS-W021076 [0,1,0,1,0,0|1,0,1]=4 941 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,1,0,1,0,0|1,0,0]=3 942 B8R1.3 NC1CCC(=O)NC1 CS-0050676 [0,1,0,1,0,0|1,0,0]=3 943 B8R1.3 N[C@H]1CCC(=O)NC1 CS-0185259 [0,1,0,1,0,0|1,0,0]=3 944 B8R1.3 O=C1CCC(=O)CC1 CS-W011270 [0,1,0,1,0,0|1,0,1]=4 945 B8R1.3 O=C1CCC(O)CC1 CS-D0911 [0,1,0,1,0,0|1,0,0]=3 946 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,1,0,1,0,0|1,0,0]=3 947 B8R1.3 O=C1CCS(=O)CC1 CS-0188184 [0,1,0,1,0,0|2,0,0]=4 948 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,1,0,1,0,0|1,0,0]=3 949 B8R1.3 O=C1COC(=O)CO1 CS-0046191 [0,1,0,1,0,0|1,0,1]=4 950 B8R1.5 C=C1CCCNC1=O CS-0312427 [0,1,0,1,0,0|1,0,1]=4 951 B8R1.5 CC1=NCCCN1C CS-W021273 [0,1,0,1,0,0|2,0,0]=4 952 B8R1.5 CC1CCCNC1=O CS-0186670 [0,1,0,1,0,0|1,0,0]=3 953 B8R1.5 CC1CNCCC1=O CS-D0046 [0,1,0,1,0,0|2,0,0]=4 954 B8R1.5 CC1CNCCC1=O CS-D0300 [0,1,0,1,0,0|2,0,0]=4 955 B8R1.5 CC1COCCC1=O CS-W003860 [0,1,0,1,0,0|2,0,0]=4 956 B8R1.5 CC1NCCNC1=O CS-0046850 [0,1,0,1,0,0|2,0,0]=4 957 B8R1.5 CN1CCCNC1=O CS-0068150 [0,1,0,1,0,0|1,0,0]=3 958 B8R1.5 CN1CCNCC1=O CS-0052424 [0,1,0,1,0,0|2,0,0]=4 959 B8R1.5 CN1CCNCC1=O CS-D0697 [0,1,0,1,0,0|2,0,0]=4 960 B8R1.5 CN1CCOCC1=O CS-0145226 [0,1,0,1,0,0|2,0,0]=4 961 B8R1.5 C[C@@H]1NCCNC1=O CS-0130514 [0,1,0,1,0,0|2,0,0]=4 962 B8R1.5 C[C@H]1NCCNC1=O CS-0042202 [0,1,0,1,0,0|2,0,0]=4 963 B8R1.5 NC1CCCCC1=O CS-0099232 [0,1,0,1,0,0|1,0,0]=3 964 B8R1.5 NC1CCCN=C1O CS-W005854 [0,1,0,1,0,0|1,0,1]=4 965 B8R1.5 NC1CCCNC1=O CS-D0182 [0,1,0,1,0,0|1,0,0]=3 966 B8R1.5 N[C@@H]1CCCNC1=O CS-0102181 [0,1,0,1,0,0|1,0,0]=3 967 B8R1.5 N[C@H]1CCCNC1=O CS-0112427 [0,1,0,1,0,0|1,0,0]=3 968 B8R1.5 O=C1CCCCC1=O CS-W007347 [0,1,0,1,0,0|1,0,0]=3 969 B8R1.5 O=C1CCCCC1Cl CS-W013402 [0,1,0,1,0,0|1,0,0]=3 970 B8R1.5 O=C1CCCCC1O CS-0262973 [0,1,0,1,0,0|1,0,0]=3 971 B8R1.5 O=C1CCNCC1F CS-0044438 [0,1,0,1,0,0|2,0,0]=4 972 B8R1.5 O=C1CCOCC1Br CS-0039271 [0,1,0,1,0,0|2,0,0]=4 973 B8R1.5 O=C1CCOCC1F CS-0051355 [0,1,0,1,0,0|2,0,0]=4 974 B8R1.5 O=C1NCCCC1O CS-W008630 [0,1,0,1,0,0|1,0,0]=3 975 B8R1.22 BrC1=CCCCCC1 CS-0448697 [0,1,0,1,0,0|2,0,0]=4 976 B8R1.22 C=C1OCCCCO1 CS-W006464 [0,1,0,1,0,0|1,0,0]=3 977 B8R1.22 O=C1C=CCCCC1 CS-W007594 [0,1,0,1,0,0|1,0,0]=3 978 B8R1.22 O=C1CCCCCN1 CS-W011258 [0,1,0,1,0,0|1,0,0]=3 979 B8R1.22 O=C1CCCCNC1 CS-0155246 [0,1,0,1,0,0|1,0,0]=3 980 B8R1.22 O=C1CCCNCC1 CS-W001845 [0,1,0,1,0,0|1,0,0]=3 981 B8R1.22 O=C1CCNCCN1 CS-W003673 [0,1,0,1,0,0|1,0,0]=3 982 B8R1.22 O=C1CCOCCN1 CS-W021289 [0,1,0,1,0,0|1,0,0]=3 983 B8R1.22 O=C1COCCCN1 CS-0037454 [0,1,0,1,0,0|1,0,0]=3 984 B8R1.22 O=C1OCCCCO1 CS-0665438 [0,1,0,1,0,0|0,0,0]=2 985 B8R1.22 OC1=NCCNCC1 CS-W011246 [0,1,0,1,0,0|1,0,1]=4 986 B8R1.38 CNC(=O)C1CNC1 CS-0184861 [0,1,0,1,0,0|2,0,0]=4 987 B8R1.38 COC(=O)C1CCC1 CS-W013640 [0,1,0,1,0,0|1,0,0]=3 988 B8R1.38 COC(=O)C1CNC1 CS-D1541 [0,1,0,1,0,0|2,0,0]=4 989 B8R1.38 COC(=O)C1COC1 CS-0045513 [0,1,0,1,0,0|2,0,0]=4 990 B8R1.38 O=C(CCl)N1CCC1 CS-0054578 [0,1,0,1,0,0|1,0,0]=3 991 B8R1.50 CC1=C(O)COC1=O CS-0085459 [0,1,0,1,0,0|1,0,1]=4 992 B8R1.50 CC1CCC(=O)C1=O CS-W011271 [0,1,0,1,0,0|1,0,1]=4 993 B8R1.50 O=C1COC(=O)C1Cl CS-0155475 [0,1,0,1,0,0|1,0,1]=4 994 B8R1.50 O=C1OC[C@@H](O)[C@H]1O CS-0157912 [0,1,0,1,0,0|1,0,0]=3 995 B8R1.6 COCC1CC(=O)C1 CS-0416147 [0,1,0,1,0,0|1,0,0]=3 996 B8R1.7 CC(=O)C1=NCCS1 CS-W002515 [0,1,0,1,0,0|1,1,0]=4 997 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [0,1,0,1,0,0|1,0,0]=3 998 B8R1.7 CC(=O)N1CCCC1 CS-0055117 [0,1,0,1,0,0|1,0,0]=3 999 B8R1.7 NC(=O)C1CCCC1 CS-0205277 [0,1,0,1,0,0|2,0,0]=4 1000 B8R1.7 NC(=O)C1CCCN1 CS-0450473 [0,1,0,1,0,0|2,0,0]=4 1001 B8R1.7 NC(=O)C1CCCN1 CS-W005850 [0,1,0,1,0,0|2,0,0]=4 1002 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-D1209 [0,1,0,1,0,0|2,0,0]=4 1003 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-W018129 [0,1,0,1,0,0|2,0,0]=4 1004 B8R1.7 NC(=O)[C@H]1CCCN1 CS-W013637 [0,1,0,1,0,0|2,0,0]=4 1005 B8R1.7 NC(=O)[C@H]1CCNC1 CS-0053244 [0,1,0,1,0,0|2,0,0]=4 1006 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [0,1,0,1,0,0|2,0,0]=4 1007 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [0,1,0,1,0,0|2,0,0]=4 1008 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [0,1,0,1,0,0|2,0,0]=4 1009 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [0,1,0,1,0,0|1,0,0]=3 1010 B8R1.7 O=C(O)C1CCCS1 CS-W000375 [0,1,0,1,0,0|1,1,0]=4 1011 B8R1.7 O=C(O)C1CCNC1 CS-0040176 [0,1,0,1,0,0|2,0,0]=4 1012 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [0,1,0,1,0,0|2,0,0]=4 1013 B8R1.7 O=C(O)C1CCOC1 CS-W004096 [0,1,0,1,0,0|2,0,0]=4 1014 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-W019861 [0,1,0,1,0,0|2,0,0]=4 1015 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-WAA0253 [0,1,0,1,0,0|2,0,0]=4 1016 B8R1.7 O=C(O)[C@@H]1CCCO1 CS-W004117 [0,1,0,1,0,0|1,0,0]=3 1017 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-0053309 [0,1,0,1,0,0|2,0,0]=4 1018 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-D1771 [0,1,0,1,0,0|2,0,0]=4 1019 B8R1.7 O=C(O)[C@H]1CCCN1 CS-W020557 [0,1,0,1,0,0|2,0,0]=4 1020 B8R1.7 O=C(O)[C@H]1CCCO1 CS-W005223 [0,1,0,1,0,0|1,0,0]=3 1021 B8R1.7 O=C(O)[C@H]1CCNC1 CS-0053243 [0,1,0,1,0,0|2,0,0]=4 1022 B8R1.7 O=C(O)[C@H]1CCNC1 CS-D0752 [0,1,0,1,0,0|2,0,0]=4 1023 B8R1.7 O=C(O)[C@H]1CCOC1 CS-0053249 [0,1,0,1,0,0|2,0,0]=4 1024 B8R1.7 [C@@H]1(C(=O)O)CCOC1 CS-W006196 [0,1,0,1,0,0|2,0,0]=4 1025 B8R1.35 O=C(O)C#CC1CC1 CS-0071182 [0,1,0,1,0,0|2,0,0]=4 1026 B8R1.35 O=C(O)CCC1CC1 CS-D0289 [0,1,0,1,0,0|2,0,0]=4 1027 B8R1.35 O=C(O)\C=C\C1CC1 CS-B1741 [0,1,0,1,0,0|2,0,0]=4 1028 B8R1.72 CC1(C)CNCCO1 CS-W003622 [0,1,0,1,0,0|1,0,1]=4 1029 B8R1.72 N=S1(=O)CCCCC1 CS-0134127 [0,1,0,1,0,0|2,0,0]=4 1030 B8R1.72 O=S1(=O)CCCCN1 CS-W005956 [0,1,0,1,0,0|2,0,0]=4 1031 B8R1.72 O=S1(=O)CCCCO1 CS-W018691 [0,1,0,1,0,0|1,0,0]=3 1032 B8R1.23 CC(=O)N1CC(N)C1 CS-0052895 [0,1,0,1,0,0|1,0,0]=3 1033 B8R1.23 CC(=O)N1CC(O)C1 CS-0044089 [0,1,0,1,0,0|1,0,0]=3 1034 B8R1.23 CC1CC(C(=O)O)C1 CS-W006107 [0,1,0,1,0,0|2,0,0]=4 1035 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 CS-0043980 [0,1,0,1,0,0|2,0,0]=4 1036 B8R1.23 O=C(O)C1CC(Cl)C1 CS-0051401 [0,1,0,1,0,0|2,0,0]=4 1037 B8R1.23 O=C(O)C1CC(F)C1 CS-0036337 [0,1,0,1,0,0|2,0,0]=4 1038 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 CS-0179205 [0,1,0,1,0,0|2,0,0]=4 1039 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 CS-W018750 [0,1,0,1,0,0|2,0,0]=4 1040 B8R1.23 [C@H]1(O)C[C@@H](C(=O)O)C1 CS-W005391 [0,1,0,1,0,0|2,0,0]=4 1041 B8R1.54 N[C@@H](C(=O)O)C1CC1 CS-0054153 [0,1,0,1,0,0|2,0,0]=4 1042 B8R1.54 N[C@H](C(=O)O)C1CC1 CS-W005759 [0,1,0,1,0,0|2,0,0]=4 1043 B8R1.54 O=C(O)C(=O)C1CC1 CS-W006124 [0,1,0,1,0,0|2,0,0]=4 1044 B8R1.54 O=C(O)C(O)C1CC1 CS-0142965 [0,1,0,1,0,0|2,0,0]=4 1045 B8R1.78 CC1(C(=O)O)CCC1 CS-W005411 [0,1,0,1,0,0|2,0,0]=4 1046 B8R1.78 NC1(C(=O)O)CCC1 CS-B0092 [0,1,0,1,0,0|2,0,0]=4 1047 B8R1.78 NC1(C(=O)O)CCC1 CS-D0209 [0,1,0,1,0,0|2,0,0]=4 1048 B8R1.78 O=C(O)C1(Br)CCC1 CS-0040826 [0,1,0,1,0,0|2,0,0]=4 1049 B8R1.78 O=C(O)C1(O)CCC1 CS-0052945 [0,1,0,1,0,0|2,0,0]=4 1050 B8R1.77 CC1(C)CC1C(=O)O CS-W005115 [0,1,0,1,0,0|2,0,0]=4 1051 B8R1.77 CC1(C)C[C@@H]1C(N)=O CS-W013652 [0,1,0,1,0,0|2,0,0]=4 1052 B8R2.18 O=C1CC2CC2C1 CS-0036289 [0,0,0,2,0,0|1,0,0]=3 1053 B8R2.53 O=C1CC2(CC2)C1 CS-0048698 [0,0,0,2,0,0|1,0,0]=3