0 B8R0.5 CC(C)NC(=O)CC#N CS-0307503 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.5 CC(C)OC(=O)CC#N CS-W013485 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.5 CC(C)OC(=O)OCCl CS-W016293 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.5 CC(C)OC(=O)OCI CS-0070034 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.5 CC(C)OC(=O)\C=C/I CS-M3624 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.5 CCOC(=O)CC(=N)N CS-W003345 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.5 CCOC(=O)CC(=N)S CS-W005154 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.5 CCOC(=O)CC(=O)O CS-0016016 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.5 CCOC(=O)CC(C)=O CS-0016216 [0,0,0,0,0,0|1,0,1]=2 9 B8R0.5 CCOC(=O)CC(C)Br CS-0197403 [0,0,0,0,0,0|1,0,0]=1 10 B8R0.5 CCOC(=O)CC(C)N CS-0030781 [0,0,0,0,0,0|1,0,0]=1 11 B8R0.5 CCOC(=O)CC(C)O CS-W013417 [0,0,0,0,0,0|1,0,0]=1 12 B8R0.5 CCOC(=O)CC(N)=O CS-W002214 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.5 CCOC(=O)CN(C)C CS-W013421 [0,0,0,0,0,0|1,0,0]=1 14 B8R0.5 CCOC(=O)C[C@@H](C)N CS-0162169 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.5 CCOC(=O)C[C@H](C)N CS-0095476 [0,0,0,0,0,0|1,0,0]=1 16 B8R0.5 CCOC(=O)C[C@H](C)O CS-0112519 [0,0,0,0,0,0|1,0,0]=1 17 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS-0000037 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.5 CCOC(=O)C[S+](C)C CS-0167158 [0,0,0,0,0,0|1,0,0]=1 19 B8R0.5 CCOC(=O)OC(C)Cl CS-W016294 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.5 CCOC(=O)\C=C(\C)I CS-0130425 [0,0,0,0,0,0|1,0,2]=3 21 B8R0.5 CCOC(=O)\C=C(\C)N CS-0031464 [0,0,0,0,0,0|1,0,2]=3 22 B8R0.5 CCOC(=O)\C=C(\C)N CS-W011120 [0,0,0,0,0,0|1,0,2]=3 23 B8R0.5 COCC(=O)OC(C)C CS-M1127 [0,0,0,0,0,0|3,0,0]=3 24 B8R0.5 C\C=C\C(=O)OC(C)C CS-0158289 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.2 C=CC(=O)NC(C)C CS-0891513 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.2 C=CC(=O)NC(C)C CS-W011259 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.2 CC(C)CC(=O)NN CS-0343165 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.2 CC(C)CC(N)CO CS-W021562 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.2 CC(C)C[C@H](N)CO CS-W016592 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.2 CC(C)NC(=O)CCl CS-0128417 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.2 CC(C)OC(=O)CN CS-0154172 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.2 CC(O)CC(=O)O[Na] CS-W011168 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.2 CCC(C)CC(C)N CS-W016309 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.2 CN(C)CC(=O)NN CS-0199445 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.2 CN(C)CC(=O)NN CS-0206604 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.2 COC(=O)CC(=O)O CS-W007829 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.2 COC(=O)CC(C)N CS-0147336 [1,0,0,0,0,0|1,0,0]=2 39 B7R0.2 COC(=O)CC(N)=O CS-W022821 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.2 COC(=O)C[C@@H](C)N CS-0003933 [1,0,0,0,0,0|1,0,0]=2 41 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.2 COC(=O)C[C@H](C)N CS-0147334 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.2 COC(=O)C[N+](=O)[O-] CS-0130670 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.2 COC(=O)\C=C(\C)N CS-W016602 [1,0,0,0,0,0|1,0,2]=4 45 B7R0.2 C[C@@H](O)CC(=O)O[Na] CS-W016567 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.2 [C@@H](C)(O)CC(=O)OC CS-W013601 [1,0,0,0,0,0|1,0,0]=2 47 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.2 [C@H](N)(CO)CC(C)C CS-W013604 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.4 CC(C)CCCCBr CS-0154231 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.4 CC(C)CCCCO CS-W011227 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.4 CCCCCC(C)O CS-W016595 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.4 CCCCC[C@@H](C)O CS-0152365 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.4 CCCCC[C@H](C)O CS-0179417 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.7 C#CCC(=O)OCC CS-0667023 [1,0,0,0,0,0|0,0,2]=3 55 B7R0.7 C=C=CC(=O)OCC CS-0204496 [1,0,0,0,0,0|0,0,3]=4 56 B7R0.7 C=CCC(=O)OCC CS-0147250 [1,0,0,0,0,0|0,0,2]=3 57 B7R0.7 CC#CC(=O)OCC CS-W009547 [1,0,0,0,0,0|0,0,2]=3 58 B7R0.7 CCCC(Br)CCC CS-0106173 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.7 CCCC(O)CCC CS-0132313 [1,0,0,0,0,0|1,0,2]=4 60 B7R0.7 CCNC(=O)CC#N CS-0141694 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.7 CCNC(=O)CCCl CS-0151980 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.7 CCNC(=S)NCC CS-0076442 [1,0,0,0,0,0|2,1,0]=4 63 B7R0.7 CCOC(=O)C#CBr CS-W022671 [1,0,0,0,0,0|1,0,2]=4 64 B7R0.7 CCOC(=O)CCBr CS-W007449 [1,0,0,0,0,0|1,0,0]=2 65 B7R0.7 CCOC(=O)CCI CS-W002223 [1,0,0,0,0,0|1,0,0]=2 66 B7R0.7 CCOC(=O)CCN CS-W019943 [1,0,0,0,0,0|1,0,0]=2 67 B7R0.7 CCOC(=O)CCO CS-0139545 [1,0,0,0,0,0|1,0,0]=2 68 B7R0.7 CCOC(=O)CNC CS-W020595 [1,0,0,0,0,0|1,0,0]=2 69 B7R0.7 CCOC(=O)CNN CS-W002085 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.7 CCOC(=O)COC CS-0008463 [1,0,0,0,0,0|1,0,0]=2 71 B7R0.7 CCOC(=O)CSC CS-0133049 [1,0,0,0,0,0|1,0,0]=2 72 B7R0.7 CCOC(=O)OCCl CS-W005334 [1,0,0,0,0,0|2,0,0]=3 73 B7R0.7 CC\N=C(/O)NCC CS-W013607 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.7 COCC(=O)COC CS-W007070 [1,0,0,0,0,0|3,0,0]=4 75 B7R0.7 O=C(CCCl)CCCl CS-W004439 [1,0,0,0,0,0|3,0,0]=4 76 B9R0.4 C=CCOC(=O)CC(C)=O CS-W018294 [0,1,0,0,0,0|1,0,2]=4 77 B9R0.4 CC(=O)CC(=O)NCCO CS-0138442 [0,1,0,0,0,0|2,0,1]=4 78 B9R0.4 CCCOC(=O)CC(C)C CS-0453597 [0,1,0,0,0,0|0,0,0]=1 79 B9R0.6 CCOC(=O)C(=O)C(C)Br CS-W006537 [0,1,0,0,0,0|1,0,1]=3 80 B9R0.6 CCOC(=O)C(=O)C(C)C CS-0151907 [0,1,0,0,0,0|0,0,1]=2 81 B9R0.6 CCOC(=O)C(Br)C(C)Br CS-0181787 [0,1,0,0,0,0|1,0,0]=2 82 B9R0.6 CCOC(=O)C(C)C(C)=O CS-W004822 [0,1,0,0,0,0|1,0,1]=3 83 B9R0.6 CCOC(=O)C(C)[N+](=O)[O-] CS-0090455 [0,1,0,0,0,0|3,0,0]=4 84 B9R0.6 CCOC(=O)C(Cl)C(C)=O CS-W018512 [0,1,0,0,0,0|1,0,1]=3 85 B9R0.6 CCOC(=O)C(F)C(C)=O CS-0151900 [0,1,0,0,0,0|1,0,1]=3 86 B9R0.6 CCOC(=O)C(N)C(C)C CS-0151896 [0,1,0,0,0,0|0,0,0]=1 87 B9R0.6 CCOC(=O)[C@@H](N)C(C)C CS-W008384 [0,1,0,0,0,0|0,0,0]=1 88 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O CS-W021073 [0,1,0,0,0,0|1,0,0]=2 89 B9R0.6 CCOC(=O)[C@H](N)C(C)C CS-0151924 [0,1,0,0,0,0|0,0,0]=1 90 B9R0.23 CC(C)CC(=O)C(=O)O[Na] CS-W018103 [0,1,0,0,0,0|3,0,0]=4 91 B9R0.23 CC(C)OC(=O)[C@@H](N)CO CS-0028051 [0,1,0,0,0,0|3,0,0]=4 92 B9R0.34 C(C(=O)OCC)=C(\C)C=O CS-W008241 [0,1,0,0,0,0|0,0,3]=4 93 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.34 CCOC(=O)CC(=N)NO CS-0197481 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.34 CCOC(=O)CC(=O)CC CS-W019881 [0,1,0,0,0,0|1,0,1]=3 96 B9R0.34 CCOC(=O)CC(=O)CCl CS-D1440 [0,1,0,0,0,0|1,0,1]=3 97 B9R0.34 CCOC(=O)CC(=O)NC CS-0151538 [0,1,0,0,0,0|1,0,1]=3 98 B9R0.34 CCOC(=O)CC(=O)NN CS-W004175 [0,1,0,0,0,0|2,0,1]=4 99 B9R0.34 CCOC(=O)CC(=O)O[K] CS-D1444 [0,1,0,0,0,0|2,0,1]=4 100 B9R0.34 CCOC(=O)C[C@@H](O)CCl CS-W010802 [0,1,0,0,0,0|1,0,0]=2 101 B9R0.34 CCOC(=O)C[C@H](O)CCl CS-W017853 [0,1,0,0,0,0|1,0,0]=2 102 B9R0.34 CCOC(=O)NC(=O)CCl CS-0093623 [0,1,0,0,0,0|2,0,1]=4 103 B9R0.34 CCOC(=O)\C=C(/C)CBr CS-0106214 [0,1,0,0,0,0|0,0,2]=3 104 B9R0.44 CC(C)(C)CC(=O)CC#N CS-0207983 [0,1,0,0,0,0|2,0,1]=4 105 B9R0.44 CC(C)(C)OC(=O)CCBr CS-W022995 [0,1,0,0,0,0|3,0,0]=4 106 B9R0.44 CC(C)(C)OC(=O)CCCl CS-0235736 [0,1,0,0,0,0|3,0,0]=4 107 B9R0.44 CC(C)(C)OC(=O)CCN CS-W007578 [0,1,0,0,0,0|3,0,0]=4 108 B9R0.44 CC(C)(C)OC(=O)CCN CS-W018756 [0,1,0,0,0,0|3,0,0]=4 109 B9R0.44 CC(C)(C)OC(=O)CCO CS-0100027 [0,1,0,0,0,0|3,0,0]=4 110 B9R0.44 CC(C)(C)OC(=O)NCO CS-0619922 [0,1,0,0,0,0|3,0,0]=4 111 B9R0.44 CCNC(=O)OC(C)(C)C CS-0072454 [0,1,0,0,0,0|2,0,0]=3 112 B9R0.44 CCOC(=O)CC(C)(C)C CS-0199440 [0,1,0,0,0,0|0,0,0]=1 113 B9R0.44 CCOC(=O)CC(C)(C)N CS-W003795 [0,1,0,0,0,0|0,0,0]=1 114 B9R0.44 CCOC(=O)CC(C)(C)O CS-0061614 [0,1,0,0,0,0|0,0,0]=1 115 B9R0.44 CCOC(=O)CC(F)(F)F CS-0151614 [0,1,0,0,0,0|2,0,0]=3 116 B9R0.44 CCOC(=O)CS(C)(=O)=O CS-0128772 [0,1,0,0,0,0|2,0,0]=3 117 B9R0.44 CCOC(=O)CS(N)(=O)=O CS-0169568 [0,1,0,0,0,0|3,0,0]=4 118 B9R0.44 CCOC(=O)C[Si](C)(C)C CS-W016151 [0,1,0,0,0,0|0,1,0]=2 119 B9R0.44 CNCC(=O)NC(C)(C)C CS-0531942 [0,1,0,0,0,0|3,0,0]=4 120 B9R0.44 CNCC(=O)OC(C)(C)C CS-W018848 [0,1,0,0,0,0|3,0,0]=4 121 B9R0.44 CNNC(=O)OC(C)(C)C CS-W019664 [0,1,0,0,0,0|3,0,0]=4 122 B9R0.44 CONC(=O)OC(C)(C)C CS-0134050 [0,1,0,0,0,0|3,0,0]=4 123 B9R0.44 C\C=C\C(=O)OC(C)(C)C CS-0199682 [0,1,0,0,0,0|2,0,1]=4 124 B9R0.53 CC(=O)CC(=O)CC(C)C CS-0095754 [0,1,0,0,0,0|1,0,1]=3 125 B9R0.53 CC(=O)CC(=O)OC(C)C CS-0179766 [0,1,0,0,0,0|1,0,1]=3 126 B9R0.53 CC(C)CC(C)CC(C)O CS-0232992 [0,1,0,0,0,0|2,0,1]=4 127 B9R0.53 CC(C)NC(=O)NC(C)C CS-0153995 [0,1,0,0,0,0|2,0,0]=3 128 B9R0.53 CC(C)OC(=O)OC(C)C CS-W014351 [0,1,0,0,0,0|1,0,0]=2 129 B9R0.53 CC(C)OC(=O)OC(C)Cl CS-W021319 [0,1,0,0,0,0|1,0,0]=2 130 B9R0.53 CC(C)OC(C)OC(C)C CS-0875077 [0,1,0,0,0,0|2,0,1]=4 131 B9R0.53 CC(C)\N=C(/S)NC(C)C CS-W016153 [0,1,0,0,0,0|2,1,0]=4 132 B9R0.53 CC(Cl)OC(=O)OC(C)Cl CS-0160241 [0,1,0,0,0,0|2,0,0]=3 133 B9R0.53 C\C(N)=C\C(=O)OC(C)C CS-0130491 [0,1,0,0,0,0|1,0,2]=4 134 B9R0.53 P(=O)(OC(C)C)OC(C)C CS-0021106 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.34 CC1CC(=O)CC(=O)C1 CS-0130624 [0,0,0,1,0,0|2,0,1]=4 136 B9R1.34 CC1CC(=O)CC(C)N1 CS-0140246 [0,0,0,1,0,0|2,0,0]=3 137 B9R1.34 CC1CC(=O)OC(=O)C1 CS-0152693 [0,0,0,1,0,0|1,0,1]=3 138 B9R1.34 CC1CC(C)CC(O)C1 CS-0188357 [0,0,0,1,0,0|1,0,2]=4 139 B9R1.34 CN1CC(=O)OC(=O)C1 CS-0163445 [0,0,0,1,0,0|2,0,1]=4 140 B9R1.38 CC1(C)CC(=O)OC1=O CS-W007998 [0,0,0,1,0,0|1,0,1]=3 141 B9R1.41 CC(=O)C1CCCC1=O CS-W011158 [0,0,0,1,0,0|2,0,1]=4 142 B9R1.41 CC(C)N1CCNC1=O CS-0374367 [0,0,0,1,0,0|2,0,0]=3 143 B9R1.48 O=C1CCCCC(=O)C1 CS-W002860 [0,0,0,1,0,0|2,0,1]=4 144 B9R1.66 CC1(C)CC(=O)CCN1 CS-0153799 [0,0,0,1,0,0|2,0,0]=3 145 B9R1.66 CC1(C)CC(=O)CCO1 CS-D0378 [0,0,0,1,0,0|2,0,0]=3 146 B9R1.66 CC1(C)CC=CC(=O)C1 CS-0648459 [0,0,0,1,0,0|1,0,1]=3 147 B9R1.66 CC1(C)CCCC(=O)C1 CS-0010863 [0,0,0,1,0,0|1,0,0]=2 148 B9R1.66 CC1(C)CCCC(=O)N1 CS-0062136 [0,0,0,1,0,0|2,0,0]=3 149 B9R1.66 CC1(C)COCC(=O)N1 CS-0146687 [0,0,0,1,0,0|3,0,0]=4 150 B9R1.75 CCOC(=O)C=C1CC1 CS-0340229 [0,0,0,1,0,0|0,0,2]=3 151 B9R1.75 CCOC(=O)CC1CC1 CS-W000547 [0,0,0,1,0,0|0,0,0]=1 152 B9R1.137 CC(=O)CC(=O)C1CC1 CS-W006361 [0,0,0,1,0,0|2,0,1]=4 153 B7R0.5 CC(C)C(=O)CC#N CS-0044094 [0,0,0,0,1,0|2,0,1]=4 154 B7R0.5 CCCC(=O)C(C)=O CS-0258819 [0,0,0,0,1,0|2,0,1]=4 155 B7R0.5 CCOC(=O)C(=N)N CS-0151910 [0,0,0,0,1,0|2,0,1]=4 156 B7R0.5 CCOC(=O)C(=O)O CS-W018770 [0,0,0,0,1,0|2,0,1]=4 157 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [0,0,0,0,1,0|2,0,1]=4 158 B7R0.5 CCOC(=O)C(C)=O CS-0017821 [0,0,0,0,1,0|1,0,1]=3 159 B7R0.5 CCOC(=O)C(C)N CS-0151889 [0,0,0,0,1,0|1,0,0]=2 160 B7R0.5 CCOC(=O)C(F)Br CS-0198023 [0,0,0,0,1,0|2,0,0]=3 161 B7R0.5 CCOC(=O)C(F)Cl CS-0434923 [0,0,0,0,1,0|2,0,0]=3 162 B7R0.5 CCOC(=O)C(N)=O CS-0008213 [0,0,0,0,1,0|2,0,1]=4 163 B7R0.5 CCOC(=O)C(N)=S CS-M2164 [0,0,0,0,1,0|2,0,1]=4 164 B7R0.5 CCOC(=O)[C@H](C)F CS-0670914 [0,0,0,0,1,0|1,0,0]=2 165 B7R0.5 CCOC(=O)[C@H](C)N CS-0009409 [0,0,0,0,1,0|1,0,0]=2 166 B7R0.5 COCC(=O)N(C)C CS-0356748 [0,0,0,0,1,0|3,0,0]=4 167 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [0,0,0,0,1,0|1,0,0]=2 168 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [0,0,0,0,0,1|0,0,2]=3 169 B9R0.48 CCOC(=O)CCC(=O)O CS-W013313 [0,0,0,0,0,1|2,0,1]=4 170 B9R0.48 CCOC(=O)CCC(C)=O CS-0204023 [0,0,0,0,0,1|1,0,1]=3 171 B9R0.48 CCOC(=O)CCC(C)Br CS-0139323 [0,0,0,0,0,1|1,0,0]=2 172 B9R0.48 CCOC(=O)CCC(C)C CS-0151589 [0,0,0,0,0,1|0,0,0]=1 173 B9R0.48 CCOC(=O)CCN(C)C CS-0124937 [0,0,0,0,0,1|1,0,0]=2 174 B9R0.48 CCOC(=O)CNC(C)=O CS-W016367 [0,0,0,0,0,1|1,0,1]=3 175 B9R0.48 CCOC(=O)NCC(=O)O CS-0106586 [0,0,0,0,0,1|2,0,1]=4 176 B9R0.48 CCOC(=O)\C=C\N(C)C CS-0028335 [0,0,0,0,0,1|1,0,1]=3 177 B9R0.48 CCOC(=O)\C=C\N(C)C CS-W008982 [0,0,0,0,0,1|1,0,1]=3 178 B6R0.1 C=CCC(=O)OC CS-0158011 [2,0,0,0,0,0|0,0,2]=4 179 B6R0.1 CC#CC(=O)OC CS-0066219 [2,0,0,0,0,0|0,0,2]=4 180 B6R0.1 CCC(=O)COC CS-0213932 [2,0,0,0,0,0|1,0,0]=3 181 B6R0.1 CCCC(=O)NN CS-0152447 [2,0,0,0,0,0|2,0,0]=4 182 B6R0.1 CCCC(Cl)CC CS-0102884 [2,0,0,0,0,0|1,0,1]=4 183 B6R0.1 CCNC(=O)CBr CS-0239382 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.1 CCOC(=O)C#N CS-0022374 [2,0,0,0,0,0|1,0,1]=4 185 B6R0.1 CCOC(=O)CN CS-W020007 [2,0,0,0,0,0|1,0,0]=3 186 B6R0.1 CCOC(=O)CO CS-W019892 [2,0,0,0,0,0|1,0,0]=3 187 B6R0.1 CCOC(=O)NN CS-W008412 [2,0,0,0,0,0|2,0,0]=4 188 B6R0.1 CCOC(C)CC CS-0196425 [2,0,0,0,0,0|1,0,1]=4 189 B6R0.1 CNC(=O)CCCl CS-0143787 [2,0,0,0,0,0|2,0,0]=4 190 B6R0.1 CNC(=O)CCO CS-0188403 [2,0,0,0,0,0|2,0,0]=4 191 B6R0.1 CNCC(=O)O[Na] CS-0077129 [2,0,0,0,0,0|2,0,0]=4 192 B6R0.1 COC(=O)CC#N CS-W016657 [2,0,0,0,0,0|1,0,1]=4 193 B6R0.1 COC(=O)CCBr CS-W008728 [2,0,0,0,0,0|1,0,0]=3 194 B6R0.1 COC(=O)CCCl CS-0131786 [2,0,0,0,0,0|1,0,0]=3 195 B6R0.1 COC(=O)CCI CS-0615889 [2,0,0,0,0,0|1,0,0]=3 196 B6R0.1 COC(=O)CCN CS-W007648 [2,0,0,0,0,0|1,0,0]=3 197 B6R0.1 COC(=O)CCO CS-0022864 [2,0,0,0,0,0|1,0,0]=3 198 B6R0.1 COC(=O)CCS CS-0000049 [2,0,0,0,0,0|1,0,0]=3 199 B6R0.1 COC(=O)OCCl CS-0067504 [2,0,0,0,0,0|2,0,0]=4 200 B6R0.2 CC(=O)CN(C)C CS-0204530 [2,0,0,0,0,0|1,0,0]=3 201 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [2,0,0,0,0,0|1,0,0]=3 202 B6R0.2 CC(=O)NC(C)C CS-M3536 [2,0,0,0,0,0|1,0,0]=3 203 B6R0.2 CC(=O)OC(C)Br CS-0135277 [2,0,0,0,0,0|2,0,0]=4 204 B6R0.2 CC(C)=CC(=O)O CS-W011327 [2,0,0,0,0,0|0,0,2]=4 205 B6R0.2 CC(C)CB(O)O CS-W000978 [2,0,0,0,0,0|1,0,1]=4 206 B6R0.2 CC(C)CC(=O)O CS-0881782 [2,0,0,0,0,0|0,0,0]=2 207 B6R0.2 CC(C)CC(=O)O CS-W013696 [2,0,0,0,0,0|0,0,0]=2 208 B6R0.2 CC(C)CC(N)=S CS-0642935 [2,0,0,0,0,0|1,1,0]=4 209 B6R0.2 CC(C)C[C@H](C)O CS-0237477 [2,0,0,0,0,0|0,0,2]=4 210 B6R0.2 CC(C)NC(N)=O CS-0162822 [2,0,0,0,0,0|2,0,0]=4 211 B6R0.2 CC(C)OC(N)=O CS-0119929 [2,0,0,0,0,0|2,0,0]=4 212 B6R0.2 CC(N)CC(=O)O CS-W009549 [2,0,0,0,0,0|1,0,0]=3 213 B6R0.2 CC(O)CC(=O)O CS-0062335 [2,0,0,0,0,0|1,0,0]=3 214 B6R0.2 CC(O)CC(N)=O CS-0435186 [2,0,0,0,0,0|2,0,0]=4 215 B6R0.2 CN(C)CC(=O)O CS-D1391 [2,0,0,0,0,0|1,0,0]=3 216 B6R0.2 CN(C)CC(=O)O CS-W001158 [2,0,0,0,0,0|1,0,0]=3 217 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [2,0,0,0,0,0|1,0,0]=3 218 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [2,0,0,0,0,0|1,0,0]=3 219 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [2,0,0,0,0,0|1,0,0]=3 220 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [2,0,0,0,0,0|1,0,0]=3 221 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [2,0,0,0,0,0|1,0,0]=3 222 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [2,0,0,0,0,0|1,0,0]=3 223 B6R0.4 CC(C)CCCBr CS-0154233 [2,0,0,0,0,0|1,0,1]=4 224 B6R0.4 CC(C)CCCO CS-W007511 [2,0,0,0,0,0|1,0,1]=4 225 B6R0.4 CCCC[C@@H](C)O CS-0179419 [2,0,0,0,0,0|1,0,1]=4 226 B6R0.4 CCCC[C@H](C)O CS-0179420 [2,0,0,0,0,0|1,0,1]=4 227 B6R0.4 CCNCC(C)C CS-0071534 [2,0,0,0,0,0|1,0,0]=3 228 B6R0.4 CNCCC(C)C CS-0039334 [2,0,0,0,0,0|1,0,1]=4 229 B6R0.6 C(CC)=CCCO CS-W009552 [2,0,0,0,0,0|2,0,0]=4 230 B6R0.6 C(CO)=CCCC CS-W016652 [2,0,0,0,0,0|2,0,0]=4 231 B6R0.6 CCCNCCC CS-0187381 [2,0,0,0,0,0|2,0,0]=4 232 B6R0.6 CCCNCCC CS-0214120 [2,0,0,0,0,0|2,0,0]=4 233 B6R0.6 CCOCCCO CS-W013685 [2,0,0,0,0,0|1,0,1]=4 234 B6R0.6 CC\C=C/CCO CS-W011323 [2,0,0,0,0,0|2,0,0]=4 235 B8R0.2 CC(C)C(=O)C(=O)O[Na] CS-0128729 [1,1,0,0,0,0|1,0,1]=4 236 B8R0.2 COC(=O)C(C)C(C)=O CS-M0095 [1,1,0,0,0,0|1,0,1]=4 237 B8R0.2 COC(=O)C(Cl)C(C)=O CS-W018135 [1,1,0,0,0,0|1,0,1]=4 238 B8R0.2 COC(=O)C(N)C(C)C CS-W013235 [1,1,0,0,0,0|0,0,0]=2 239 B8R0.2 COC(=O)C(N)C(C)O CS-0169073 [1,1,0,0,0,0|1,0,0]=3 240 B8R0.2 COC(=O)C(O)C(C)C CS-0254529 [1,1,0,0,0,0|0,0,0]=2 241 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CS-W008086 [1,1,0,0,0,0|1,0,0]=3 242 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O CS-0147192 [1,1,0,0,0,0|1,0,0]=3 243 B8R0.2 COC(=O)[C@@H](O)C(C)C CS-0186193 [1,1,0,0,0,0|0,0,0]=2 244 B8R0.2 COC(=O)[C@H](N)C(C)C CS-0012693 [1,1,0,0,0,0|0,0,0]=2 245 B8R0.2 COC(=O)[C@H](N)[C@H](C)O CS-0147184 [1,1,0,0,0,0|1,0,0]=3 246 B8R0.2 COC(=O)[C@H](O)C(C)C CS-0160105 [1,1,0,0,0,0|0,0,0]=2 247 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C CS-W010793 [1,1,0,0,0,0|0,0,0]=2 248 B8R0.16 CCC(CO)CC(C)C CS-0152610 [1,1,0,0,0,0|0,0,2]=4 249 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [1,1,0,0,0,0|1,0,1]=4 250 B8R0.19 CCC(=O)CC(=O)OC CS-W011110 [1,1,0,0,0,0|1,0,1]=4 251 B8R0.19 CC[C@@H](O)CC(=O)OC CS-0852565 [1,1,0,0,0,0|1,0,0]=3 252 B8R0.19 CNC(C)CC(=O)OC CS-0124917 [1,1,0,0,0,0|0,0,0]=2 253 B8R0.19 CN\C(C)=C\C(=O)OC CS-M1728 [1,1,0,0,0,0|0,0,2]=4 254 B8R0.19 COC(=O)CC(=O)CCl CS-0044248 [1,1,0,0,0,0|1,0,1]=4 255 B8R0.19 COC(=O)CC(=O)OC CS-0019394 [1,1,0,0,0,0|1,0,1]=4 256 B8R0.19 COC(=O)N[C@@H](C)CN CS-0010956 [1,1,0,0,0,0|1,0,0]=3 257 B8R0.23 C=C(CC(C)C)C(C)=O CS-0132337 [1,1,0,0,0,0|1,0,1]=4 258 B8R0.23 CC(=O)C(=O)OC(C)C CS-M0668 [1,1,0,0,0,0|1,0,1]=4 259 B8R0.23 CC(C)CC(=O)C(=O)O CS-W013438 [1,1,0,0,0,0|1,0,1]=4 260 B8R0.23 CC(C)NC(=O)C(C)C CS-0119885 [1,1,0,0,0,0|1,0,0]=3 261 B8R0.23 CC(C)OC(=O)[C@@H](C)N CS-M2998 [1,1,0,0,0,0|1,0,0]=3 262 B8R0.23 CC(C)OC(=O)[C@H](C)N CS-W019924 [1,1,0,0,0,0|1,0,0]=3 263 B8R0.24 CC(C)(C)NC(=O)CBr CS-0154602 [1,1,0,0,0,0|2,0,0]=4 264 B8R0.24 CC(C)(C)NC(=O)CCl CS-W018165 [1,1,0,0,0,0|2,0,0]=4 265 B8R0.24 CC(C)(C)OC(=O)CI CS-W022991 [1,1,0,0,0,0|2,0,0]=4 266 B8R0.24 CC(C)(C)OC(=O)CN CS-W007408 [1,1,0,0,0,0|2,0,0]=4 267 B8R0.24 CC(C)(C)OC(=O)CN CS-W019643 [1,1,0,0,0,0|2,0,0]=4 268 B8R0.24 CC(C)(C)OC(=O)CO CS-W003086 [1,1,0,0,0,0|2,0,0]=4 269 B8R0.24 CCC(=O)OC(C)(C)C CS-0188223 [1,1,0,0,0,0|1,0,0]=3 270 B8R0.24 CNC(=O)OC(C)(C)C CS-W007463 [1,1,0,0,0,0|2,0,0]=4 271 B8R0.24 COC(=O)CC(C)(C)N CS-0139287 [1,1,0,0,0,0|0,0,0]=2 272 B8R0.24 COC(=O)CC(C)(C)O CS-0187490 [1,1,0,0,0,0|0,0,0]=2 273 B8R0.24 COC(=O)CC(F)(F)F CS-0121472 [1,1,0,0,0,0|2,0,0]=4 274 B8R0.24 COC(=O)CS(C)(=O)=O CS-W016301 [1,1,0,0,0,0|2,0,0]=4 275 B8R0.34 CCS(=O)(=O)OC(C)C CS-0044479 [1,1,0,0,0,0|2,0,0]=4 276 B8R0.7 CC(C)CCCCCO CS-0210352 [1,1,0,0,0,0|1,0,1]=4 277 B8R0.7 CC(C)CCCCCO CS-0641181 [1,1,0,0,0,0|1,0,1]=4 278 B8R0.7 CN(C)CCOCCO CS-W011078 [1,1,0,0,0,0|1,0,1]=4 279 B8R0.28 CC(=O)\C=C\CC(C)C CS-0657803 [1,1,0,0,0,0|1,0,1]=4 280 B8R0.28 CC(C)CNCC(C)C CS-0154216 [1,1,0,0,0,0|2,0,0]=4 281 B8R0.1 C#CCCC(=O)OCC CS-0044527 [1,1,0,0,0,0|0,0,1]=3 282 B8R0.1 C(CBr)=CC(=O)OCC CS-W007837 [1,1,0,0,0,0|0,0,2]=4 283 B8R0.1 C=CCOC(=O)OCC CS-0197813 [1,1,0,0,0,0|0,0,2]=4 284 B8R0.1 CCCOC(=O)CC#N CS-0217234 [1,1,0,0,0,0|1,0,1]=4 285 B8R0.1 CCOC(=O)CCC#N CS-0094471 [1,1,0,0,0,0|0,0,1]=3 286 B8R0.1 CCOC(=O)CCCBr CS-W020133 [1,1,0,0,0,0|0,0,0]=2 287 B8R0.1 CCOC(=O)CCCI CS-0029516 [1,1,0,0,0,0|0,0,0]=2 288 B8R0.1 CCOC(=O)CCCN CS-W010794 [1,1,0,0,0,0|0,0,0]=2 289 B8R0.1 CCOC(=O)CCNN CS-0151578 [1,1,0,0,0,0|1,0,0]=3 290 B8R0.1 CCOC(=O)CNC=O CS-0201687 [1,1,0,0,0,0|1,0,1]=4 291 B8R0.1 CCOCC(=O)OCC CS-0151430 [1,1,0,0,0,0|0,0,0]=2 292 B8R0.3 C=C(CBr)C(=O)OCC CS-W015793 [1,1,0,0,0,0|1,0,1]=4 293 B8R0.3 C=C(CO)C(=O)OCC CS-W005253 [1,1,0,0,0,0|1,0,1]=4 294 B8R0.3 CCCC(=O)N(C)OC CS-0123043 [1,1,0,0,0,0|2,0,0]=4 295 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [1,1,0,0,0,0|0,0,1]=3 296 B8R0.3 CCOC(=O)C(Br)CBr CS-W012517 [1,1,0,0,0,0|1,0,0]=3 297 B8R0.3 CCOC(=O)C(Br)CC CS-W010634 [1,1,0,0,0,0|0,0,0]=2 298 B8R0.3 CCOC(=O)C(C)C#N CS-W002095 [1,1,0,0,0,0|1,0,1]=4 299 B8R0.3 CCOC(=O)C(N)CC CS-0197280 [1,1,0,0,0,0|0,0,0]=2 300 B8R0.3 CCOC(=O)C(N)CO CS-0022343 [1,1,0,0,0,0|1,0,0]=3 301 B8R0.3 CCOC(=O)C(N)CS CS-0498859 [1,1,0,0,0,0|1,0,0]=3 302 B8R0.3 CCOC(=O)C(O)CC CS-0185728 [1,1,0,0,0,0|0,0,0]=2 303 B8R0.3 CCOC(=O)[C@@H](C)OC CS-0055730 [1,1,0,0,0,0|1,0,0]=3 304 B8R0.3 CCOC(=O)[C@@H](N)CC CS-0162057 [1,1,0,0,0,0|0,0,0]=2 305 B8R0.3 CCOC(=O)[C@@H](N)CO CS-W017712 [1,1,0,0,0,0|1,0,0]=3 306 B8R0.3 CCOC(=O)[C@@H](N)CS CS-B1669 [1,1,0,0,0,0|1,0,0]=3 307 B8R0.3 CCOC(=O)[C@@H](O)CC CS-0527449 [1,1,0,0,0,0|0,0,0]=2 308 B8R0.3 CCOC(=O)[C@H](N)CO CS-W022750 [1,1,0,0,0,0|1,0,0]=3 309 B8R0.22 CCCN(C=O)CCC CS-W011117 [1,1,0,0,0,0|2,0,0]=4 310 B8R0.30 CCOP(=O)(O)OCC CS-6295 [1,1,0,0,0,0|2,0,0]=4 311 B8R0.30 CCOP(=O)([O-])OCC CS-0152008 [1,1,0,0,0,0|2,0,0]=4 312 B8R0.14 CC(C)(C)C(=O)OCCl CS-W018522 [0,1,0,0,1,0|1,0,0]=3 313 B8R0.14 CC(C)(C)C(=O)OCI CS-0066217 [0,1,0,0,1,0|1,0,0]=3 314 B8R0.14 CCOC(=O)C(C)(C)N CS-0127822 [0,1,0,0,1,0|0,0,0]=2 315 B8R0.14 CCOC(=O)C(Cl)(Cl)Cl CS-0049521 [0,1,0,0,1,0|2,0,0]=4 316 B8R0.14 CCOC(=O)C(F)(F)I CS-0113019 [0,1,0,0,1,0|2,0,0]=4 317 B10R0.26 CCOC(=O)CC(=O)C(C)C CS-W016205 [0,1,0,0,0,1|0,0,0]=2 318 B10R0.26 CCOC(=O)CC(=O)C(F)F CS-W009248 [0,1,0,0,0,1|2,0,0]=4 319 B10R0.26 CCOC(=O)CC(C)N(C)C CS-0147768 [0,1,0,0,0,1|1,0,0]=3 320 B10R0.32 CCOC(=O)C(=O)CC(C)=O CS-0007580 [0,1,0,0,0,1|1,0,1]=4 321 B10R0.32 CCOC(=O)C(O)CC(C)C CS-0172268 [0,1,0,0,0,1|0,0,0]=2 322 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC CS-W010608 [0,1,0,0,0,1|0,0,0]=2 323 B10R0.78 CC(C)COC(=O)C#CCO CS-0567277 [0,1,0,0,0,1|1,0,1]=4 324 B10R0.108 CCOC(=O)CNC(=O)CN CS-0210211 [0,1,0,0,0,1|1,0,1]=4 325 B10R0.109 CCOC(=O)CCC(C)(F)F CS-0454592 [0,1,0,0,0,1|1,0,0]=3 326 B10R0.109 CCOC(=O)CCC(F)(F)F CS-B0243 [0,1,0,0,0,1|2,0,0]=4 327 B10R0.109 CCOC(=O)CNS(C)(=O)=O CS-0182828 [0,1,0,0,0,1|2,0,0]=4 328 B10R0.109 CCOC(=O)OCC(F)(F)F CS-0196827 [0,1,0,0,0,1|2,0,0]=4 329 B10R0.6 CC(=O)CC(=O)OCCC#N CS-0088550 [0,2,0,0,0,0|1,0,1]=4 330 B10R0.18 CCOCC(=O)CC(=O)OC CS-0043415 [0,2,0,0,0,0|1,0,1]=4 331 B10R0.28 C=CCOC(=O)OC(C)(C)C CS-0211139 [0,2,0,0,0,0|1,0,1]=4 332 B10R0.28 CC(C)(C)OC(=O)CCCBr CS-W008626 [0,2,0,0,0,0|2,0,0]=4 333 B10R0.28 CC(C)(C)OC(=O)CCCN CS-0032899 [0,2,0,0,0,0|2,0,0]=4 334 B10R0.28 CC(C)(C)OC(=O)CCCN CS-W005632 [0,2,0,0,0,0|2,0,0]=4 335 B10R0.28 CC(C)(C)OC(=O)CCCO CS-W020459 [0,2,0,0,0,0|2,0,0]=4 336 B10R0.28 CC(C)(C)OC(=O)NCCCl CS-W004916 [0,2,0,0,0,0|2,0,0]=4 337 B10R0.28 CC(C)(C)OC(=O)NCCI CS-0102471 [0,2,0,0,0,0|2,0,0]=4 338 B10R0.28 CC(C)(C)OC(=O)NCCN CS-B0430 [0,2,0,0,0,0|2,0,0]=4 339 B10R0.28 CC(C)(C)OC(=O)NCCN CS-W015688 [0,2,0,0,0,0|2,0,0]=4 340 B10R0.28 CC(C)(C)OC(=O)NCCO CS-W007322 [0,2,0,0,0,0|2,0,0]=4 341 B10R0.28 CC(C)(C)OC(=O)NCCS CS-0159828 [0,2,0,0,0,0|2,0,0]=4 342 B10R0.28 CCNCC(=O)OC(C)(C)C CS-W018855 [0,2,0,0,0,0|2,0,0]=4 343 B10R0.28 CNCCC(=O)OC(C)(C)C CS-0124731 [0,2,0,0,0,0|2,0,0]=4 344 B10R0.44 COC(=O)CC(=O)CC(C)C CS-W000361 [0,2,0,0,0,0|1,0,1]=4 345 B10R0.35 CCOC(=O)C(=O)N(C)OC CS-0151904 [0,2,0,0,0,0|1,0,1]=4 346 B10R0.35 CCOC(=O)C(C)C(=O)CC CS-0121777 [0,2,0,0,0,0|1,0,1]=4 347 B10R0.35 CCOC(=O)C(F)C(=O)CC CS-0020726 [0,2,0,0,0,0|1,0,1]=4 348 B10R0.36 CCOC(=O)C(Cl)(Cl)C(C)=O CS-W010521 [0,2,0,0,0,0|1,0,1]=4 349 B10R0.100 CCOC(=O)C(C)C(F)(F)F CS-0667528 [0,2,0,0,0,0|2,0,0]=4 350 B10R0.100 CCOC(=O)C(N)C(F)(F)F CS-0128342 [0,2,0,0,0,0|2,0,0]=4 351 B10R0.100 CCOC(=O)[C@@H](N)C(C)(C)C CS-0230279 [0,2,0,0,0,0|0,0,0]=2 352 B10R0.101 CCOC(=O)C(CC)C(C)=O CS-W008164 [0,2,0,0,0,0|1,0,1]=4 353 B10R0.37 CCC(Br)C(=O)OC(C)(C)C CS-W009505 [0,2,0,0,0,0|2,0,0]=4 354 B10R0.37 CCN(N)C(=O)OC(C)(C)C CS-0158456 [0,2,0,0,0,0|2,0,0]=4 355 B10R0.37 CC[C@H](N)C(=O)OC(C)(C)C CS-0153937 [0,2,0,0,0,0|2,0,0]=4 356 B10R0.2 CCCC(=O)CC(=O)OCC CS-W016203 [0,2,0,0,0,0|1,0,1]=4 357 B10R0.2 CCCC(O)CC(=O)OCC CS-W013272 [0,2,0,0,0,0|1,0,0]=3 358 B10R0.2 CCC[C@H](O)CC(=O)OCC CS-0834508 [0,2,0,0,0,0|1,0,0]=3 359 B10R0.2 CCOC(=N)CC(=O)OCC CS-W019993 [0,2,0,0,0,0|1,0,1]=4 360 B10R0.2 CCOC(=O)CC(=O)COC CS-W022693 [0,2,0,0,0,0|1,0,1]=4 361 B10R0.2 CCOC(=O)C[C@H](O)CC#N CS-W002591 [0,2,0,0,0,0|1,0,0]=3 362 B10R0.2 C\C=C\C(=O)CC(=O)OCC CS-0700573 [0,2,0,0,0,0|1,0,1]=4 363 B10R0.34 CCOC(=O)CN(CC)CC CS-0205225 [0,2,0,0,0,0|1,0,0]=3 364 B10R0.31 CC(O)CC(=O)OC(C)(C)C CS-0372996 [0,2,0,0,0,0|1,0,0]=3 365 B10R0.31 CN(N)CC(=O)OC(C)(C)C CS-0154833 [0,2,0,0,0,0|2,0,0]=4 366 B10R0.31 C[C@@H](N)CC(=O)OC(C)(C)C CS-0266774 [0,2,0,0,0,0|1,0,0]=3 367 B10R0.31 C[C@@H](O)CC(=O)OC(C)(C)C CS-0609936 [0,2,0,0,0,0|1,0,0]=3 368 B10R0.31 C[C@H](O)CC(=O)OC(C)(C)C CS-0313136 [0,2,0,0,0,0|1,0,0]=3 369 B8R1.4 CC1=CC(=O)CCC1 CS-0128362 [1,0,0,1,0,0|0,0,2]=4 370 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [1,0,0,1,0,0|1,0,0]=3 371 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [1,0,0,1,0,0|1,0,0]=3 372 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [1,0,0,1,0,0|1,0,0]=3 373 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [1,0,0,1,0,0|1,0,0]=3 374 B8R1.4 CC1CCCC(N)C1 CS-D0430 [1,0,0,1,0,0|1,0,1]=4 375 B8R1.4 CC1COCC(=O)N1 CS-0146686 [1,0,0,1,0,0|2,0,0]=4 376 B8R1.4 CN1CCNC(=O)C1 CS-W003814 [1,0,0,1,0,0|2,0,0]=4 377 B8R1.4 CN1CCOC(=O)C1 CS-W001837 [1,0,0,1,0,0|1,0,0]=3 378 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [1,0,0,1,0,0|1,0,0]=3 379 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [1,0,0,1,0,0|1,0,0]=3 380 B8R1.4 C[C@@H]1COCC(=O)N1 CS-0059832 [1,0,0,1,0,0|2,0,0]=4 381 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [1,0,0,1,0,0|1,0,0]=3 382 B8R1.4 C[C@H]1COCC(=O)N1 CS-W023097 [1,0,0,1,0,0|2,0,0]=4 383 B8R1.4 NC1CCNC(=O)C1 CS-0051036 [1,0,0,1,0,0|2,0,0]=4 384 B8R1.4 O=C1CC(O)CCN1 CS-W003628 [1,0,0,1,0,0|2,0,0]=4 385 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [1,0,0,1,0,0|1,0,1]=4 386 B8R1.4 O=C1C[C@@H](O)CCN1 CS-W021175 [1,0,0,1,0,0|2,0,0]=4 387 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [1,0,0,1,0,0|2,0,0]=4 388 B8R1.18 CN1CC(N)CC1=O CS-0051054 [1,0,0,1,0,0|2,0,0]=4 389 B8R1.18 CN1CC(N)CC1=O CS-0075445 [1,0,0,1,0,0|2,0,0]=4 390 B8R1.40 NCC(=O)NC1CC1 CS-0077363 [1,0,0,1,0,0|2,0,0]=4 391 B8R1.40 O=C(CBr)NC1CC1 CS-0627309 [1,0,0,1,0,0|2,0,0]=4 392 B8R1.51 CC1(C)CCC(=O)C1 CS-W018408 [1,0,0,1,0,0|0,0,0]=2 393 B8R1.51 CC1(C)CCC(=O)N1 CS-W022267 [1,0,0,1,0,0|1,0,0]=3 394 B8R1.51 CC1(C)CCC(=O)O1 CS-0061120 [1,0,0,1,0,0|1,0,0]=3 395 B8R1.51 CC1(C)CNC(=O)O1 CS-0139215 [1,0,0,1,0,0|2,0,0]=4 396 B8R1.51 CC1(C)COC(=S)N1 CS-0137631 [1,0,0,1,0,0|1,1,0]=4 397 B8R1.51 CC1(C)COC(O)=N1 CS-W011238 [1,0,0,1,0,0|1,0,1]=4 398 B8R1.51 CC1=NC(C)(C)CO1 CS-0204303 [1,0,0,1,0,0|2,0,0]=4 399 B8R1.7 CC(C)[C@H]1CCNC1 CS-0053334 [1,0,0,1,0,0|1,0,1]=4 400 B8R1.7 CC(N)C1CCOC1 CS-0263398 [1,0,0,1,0,0|1,0,1]=4 401 B8R1.22 CC1CCCNCC1 CS-0199646 [1,0,0,1,0,0|1,0,1]=4 402 B8R1.72 CC1(C)CCNCC1 CS-W005691 [1,0,0,1,0,0|1,0,1]=4 403 B8R1.72 CC1(N)CCOCC1 CS-0039635 [1,0,0,1,0,0|1,0,1]=4 404 B8R1.72 CC1(N)CCOCC1 CS-W018780 [1,0,0,1,0,0|1,0,1]=4 405 B8R1.72 CC1(O)CCOCC1 CS-W006621 [1,0,0,1,0,0|1,0,1]=4 406 B8R1.8 CCCC1=NCCN1 CS-0119918 [1,0,0,1,0,0|2,0,0]=4 407 B8R1.11 CCC1CCCC1=O CS-0152470 [1,0,0,1,0,0|1,0,0]=3 408 B8R1.11 CCN1CCCC1=O CS-W013650 [1,0,0,1,0,0|1,0,0]=3 409 B8R1.11 O=C1CCCC1CO CS-0136671 [1,0,0,1,0,0|2,0,0]=4 410 B8R1.11 O=C1NCCC1CO CS-0051681 [1,0,0,1,0,0|2,0,0]=4 411 B8R1.37 CCOC(=N)C1CC1 CS-0122277 [1,0,0,1,0,0|1,0,0]=3 412 B8R1.37 O=C(OCCl)C1CC1 CS-0723020 [1,0,0,1,0,0|1,0,0]=3 413 B8R1.5 CC1CCCNC1=O CS-0186670 [0,0,0,1,1,0|1,0,0]=3 414 B8R1.5 CC1CNCCC1=O CS-D0046 [0,0,0,1,1,0|2,0,0]=4 415 B8R1.5 CC1CNCCC1=O CS-D0300 [0,0,0,1,1,0|2,0,0]=4 416 B8R1.5 CC1COCCC1=O CS-W003860 [0,0,0,1,1,0|2,0,0]=4 417 B8R1.5 CC1NCCNC1=O CS-0046850 [0,0,0,1,1,0|2,0,0]=4 418 B8R1.5 CN1CCCNC1=O CS-0068150 [0,0,0,1,1,0|2,0,0]=4 419 B8R1.5 C[C@@H]1NCCNC1=O CS-0130514 [0,0,0,1,1,0|2,0,0]=4 420 B8R1.5 C[C@H]1NCCNC1=O CS-0042202 [0,0,0,1,1,0|2,0,0]=4 421 B8R1.5 NC1CCCCC1=O CS-0099232 [0,0,0,1,1,0|2,0,0]=4 422 B8R1.5 NC1CCCNC1=O CS-D0182 [0,0,0,1,1,0|2,0,0]=4 423 B8R1.5 N[C@@H]1CCCNC1=O CS-0102181 [0,0,0,1,1,0|2,0,0]=4 424 B8R1.5 N[C@H]1CCCNC1=O CS-0112427 [0,0,0,1,1,0|2,0,0]=4 425 B8R1.5 O=C1CCCCC1Cl CS-W013402 [0,0,0,1,1,0|2,0,0]=4 426 B8R1.5 O=C1CCCCC1O CS-0262973 [0,0,0,1,1,0|2,0,0]=4 427 B8R1.5 O=C1NCCCC1O CS-W008630 [0,0,0,1,1,0|2,0,0]=4 428 B10R1.30 CCN1C[C@H](C)NCC1=O CS-0062093 [0,0,0,1,0,1|1,0,0]=3 429 B10R1.59 CC(C)[C@@H]1NC(=O)OC1=O CS-0101223 [0,0,0,1,0,1|1,0,1]=4 430 B10R1.59 CC(C)[C@H]1NC(=O)OC1=O CS-0452486 [0,0,0,1,0,1|1,0,1]=4 431 B10R1.63 CC1(C)CCC(=O)OC1=O CS-0153793 [0,0,0,1,0,1|1,0,1]=4 432 B10R1.113 CC(C)C1CC(=O)CCO1 CS-0464877 [0,0,0,1,0,1|2,0,0]=4 433 B10R1.113 CC(C)[C@H]1COCC(=O)N1 CS-0093792 [0,0,0,1,0,1|2,0,0]=4 434 B10R1.138 CCCC(=O)OC[C@@H]1CO1 CS-0135409 [0,0,0,1,0,1|2,0,0]=4 435 B10R1.138 CCCC(=O)OC[C@H]1CO1 CS-D1790 [0,0,0,1,0,1|2,0,0]=4 436 B10R1.138 CCOC(=O)CNC1CC1 CS-0249130 [0,0,0,1,0,1|0,0,0]=2 437 B10R1.138 CCOC(=O)\C=C\C1CC1 CS-0198295 [0,0,0,1,0,1|0,0,1]=3 438 B10R1.140 C=C1CC(C(=O)OCC)C1 CS-0183659 [0,0,0,1,0,1|0,0,2]=4 439 B10R1.140 CCOC(=O)C1CC(=O)C1 CS-W008814 [0,0,0,1,0,1|1,0,1]=4 440 B10R1.140 CCOC(=O)C1CC(F)C1 CS-0475866 [0,0,0,1,0,1|1,0,0]=3 441 B10R1.140 CCOC(=O)C1CC(O)C1 CS-0044007 [0,0,0,1,0,1|1,0,0]=3 442 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 CS-0040108 [0,0,0,1,0,1|1,0,0]=3 443 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 CS-0053099 [0,0,0,1,0,1|1,0,0]=3 444 B10R1.140 CCOC(=O)[C@H]1C[C@H](N)C1 CS-0356458 [0,0,0,1,0,1|1,0,0]=3 445 B10R1.18 CC(C)C[C@@H]1COCCN1 CS-0154321 [0,1,0,1,0,0|1,0,1]=4 446 B10R1.61 CC(C)N1CCNCC1=O CS-0154193 [0,1,0,1,0,0|2,0,0]=4 447 B10R1.212 CCOC(=O)C(Br)C1CC1 CS-0042467 [0,1,0,1,0,0|0,0,0]=2 448 B10R1.291 CC(=O)C1(C)CCOC1=O CS-0204859 [0,1,0,1,0,0|1,0,1]=4 449 B10R1.135 CCOC(=O)C1CC1C#N CS-0049506 [0,1,0,1,0,0|0,0,1]=3 450 B10R1.135 CCOC(=O)C1CC1C=O CS-0106625 [0,1,0,1,0,0|0,0,1]=3 451 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N CS-0049662 [0,1,0,1,0,0|0,0,1]=3 452 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1C#N CS-0054373 [0,1,0,1,0,0|0,0,1]=3 453 B10R1.137 CCOC(=O)C=C1CCC1 CS-0038534 [0,1,0,1,0,0|0,0,2]=4 454 B10R1.137 CCOC(=O)C=C1COC1 CS-0006466 [0,1,0,1,0,0|0,0,2]=4 455 B10R1.137 CCOC(=O)C=C1CSC1 CS-0056274 [0,1,0,1,0,0|0,0,2]=4 456 B10R1.137 CCOC(=O)CC1COC1 CS-W000466 [0,1,0,1,0,0|0,0,0]=2 457 B10R1.149 COC(=O)C1CCOC1=O CS-0077660 [0,1,0,1,0,0|1,0,1]=4 458 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 CS-0010862 [0,1,0,1,0,0|1,0,1]=4 459 B10R1.329 CC1(C)CC(=O)C=C(N)C1 CS-0199484 [0,1,0,1,0,0|1,0,1]=4 460 B10R1.329 CC1(C)CC(=O)CC(=O)C1 CS-W016456 [0,1,0,1,0,0|1,0,1]=4 461 B10R1.329 CC1(C)CC(=O)NC(=O)C1 CS-W022042 [0,1,0,1,0,0|1,0,1]=4 462 B10R1.329 CC1(C)CC(=O)OC(=O)C1 CS-0186905 [0,1,0,1,0,0|0,0,1]=3 463 B10R1.329 CC1=CC(=O)CC(C)(C)C1 CS-0015924 [0,1,0,1,0,0|1,0,1]=4 464 B10R1.329 CC1=CC(O)CC(C)(C)C1 CS-0163027 [0,1,0,1,0,0|2,0,0]=4 465 B10R1.329 CC1=NC(C)(C)CC(C)O1 CS-0128264 [0,1,0,1,0,0|2,0,0]=4 466 B10R1.373 CC(C)(C)OC(=O)C1CC1 CS-0044361 [0,1,0,1,0,0|2,0,0]=4 467 B10R2.71 O=C1CC2CCC(C1)N2 CS-M0611 [0,0,0,2,0,0|2,0,0]=4 468 B10R2.71 O=C1CC2CCC(C1)O2 CS-0049936 [0,0,0,2,0,0|2,0,0]=4 469 B10R2.534 O=C1CCCC2(CC2)C1 CS-0048695 [0,0,0,2,0,0|1,0,0]=3 470 B6R0.3 CC(C)C(=O)CBr CS-0020096 [1,0,0,0,1,0|1,0,0]=3 471 B6R0.3 CC(C)C(=O)NN CS-0053723 [1,0,0,0,1,0|2,0,0]=4 472 B6R0.3 CC(C)C(=O)O[K] CS-0196930 [1,0,0,0,1,0|1,0,0]=3 473 B6R0.3 CC(C)C(=O)O[Na] CS-0040347 [1,0,0,0,1,0|1,0,0]=3 474 B6R0.3 CC(C)S(=O)O[Na] CS-M3052 [1,0,0,0,1,0|2,0,0]=4 475 B6R0.3 CC(O)C(=O)O[Na] CS-0030973 [1,0,0,0,1,0|2,0,0]=4 476 B6R0.3 CCC(=O)C(C)=O CS-W013714 [1,0,0,0,1,0|1,0,1]=4 477 B6R0.3 CCC(=O)N(C)C CS-W001248 [1,0,0,0,1,0|1,0,0]=3 478 B6R0.3 CCC(=S)N(C)C CS-0160405 [1,0,0,0,1,0|1,1,0]=4 479 B6R0.3 CN(C)C(=O)CBr CS-W017882 [1,0,0,0,1,0|2,0,0]=4 480 B6R0.3 CN(C)C(=O)CCl CS-0008654 [1,0,0,0,1,0|2,0,0]=4 481 B6R0.3 CN(C)C(=O)CI CS-0239613 [1,0,0,0,1,0|2,0,0]=4 482 B6R0.3 CN(C)C(=O)CN CS-0041045 [1,0,0,0,1,0|2,0,0]=4 483 B6R0.3 CN(C)C(=O)CN CS-B0440 [1,0,0,0,1,0|2,0,0]=4 484 B6R0.3 CN(C)C(=O)CN CS-W003959 [1,0,0,0,1,0|2,0,0]=4 485 B6R0.3 CN(C)C(=O)CO CS-0077250 [1,0,0,0,1,0|2,0,0]=4 486 B6R0.3 CNC(=O)C(C)N CS-0154032 [1,0,0,0,1,0|2,0,0]=4 487 B6R0.3 CNC(=O)[C@@H](C)N CS-0169315 [1,0,0,0,1,0|2,0,0]=4 488 B6R0.3 CNC(=O)[C@H](C)N CS-0169314 [1,0,0,0,1,0|2,0,0]=4 489 B6R0.3 COC(=O)C(C)=O CS-W013701 [1,0,0,0,1,0|1,0,1]=4 490 B6R0.3 COC(=O)C(C)Br CS-0154978 [1,0,0,0,1,0|1,0,0]=3 491 B6R0.3 COC(=O)C(C)N CS-W011040 [1,0,0,0,1,0|1,0,0]=3 492 B6R0.3 COC(=O)[C@H](C)N CS-W008772 [1,0,0,0,1,0|1,0,0]=3 493 B6R0.3 COC(=O)[C@H](C)O CS-WAA0219 [1,0,0,0,1,0|1,0,0]=3 494 B6R0.3 C[C@H](O)C(=O)O[Na] CS-0895775 [1,0,0,0,1,0|2,0,0]=4 495 B6R0.3 C[C@H](O)C(=O)O[Na] CS-0897268 [1,0,0,0,1,0|2,0,0]=4 496 B6R0.3 C[C@H](O)C(=O)O[Na] CS-W020973 [1,0,0,0,1,0|2,0,0]=4 497 B6R0.3 [C@@H](C)(Cl)C(=O)OC CS-W011191 [1,0,0,0,1,0|1,0,0]=3 498 B6R0.3 [C@H](C)(N)C(=O)OC CS-W007986 [1,0,0,0,1,0|1,0,0]=3 499 B6R0.3 [Li]OC(=O)C(C)O CS-W011341 [1,0,0,0,1,0|2,0,0]=4 500 B6R0.3 [Li]OC(=O)[C@H](C)O CS-0015207 [1,0,0,0,1,0|2,0,0]=4 501 B10R0.3 CCOC(=O)CCCC(C)=O CS-W010896 [0,0,0,0,0,2|1,0,1]=4