0 B8R0.28 CC(=O)CCC=C(C)C CS-W011151 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(=O)CCCC(=O)O CS-W001957 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.28 CC(=O)CCCC(C)C CS-0154232 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.28 CC(=O)OCC=C(C)C CS-W011131 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.28 CC(=O)SCCC(=O)O CS-W018187 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.28 CC(=O)\C=C\CC(C)C CS-0657803 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.28 CC(C)=CCC[C@@H](C)O CS-0726318 [0,0,0,0,0,0|1,0,3]=4 8 B8R0.28 CC(C)CNCC(C)C CS-0154216 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.28 CC(C)C\C=C\B(O)O CS-0132334 [0,0,0,0,0,0|1,0,3]=4 10 B8R0.28 CC(C)OCCC(=O)O CS-0247110 [0,0,0,0,0,0|1,0,0]=1 11 B8R0.28 CC(O)CCCC(=O)[O-] CS-0263549 [0,0,0,0,0,0|1,0,1]=2 12 B8R0.28 CN(C)CC#CC(=O)O CS-0371338 [0,0,0,0,0,0|1,0,2]=3 13 B8R0.28 CN(C)CC#CC(=O)O CS-0564430 [0,0,0,0,0,0|1,0,2]=3 14 B8R0.28 CN(C)CCCC(=O)O CS-0117583 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [0,0,0,0,0,0|1,0,0]=1 16 B8R0.28 CN(C)C\C=C\C(=O)O CS-0091680 [0,0,0,0,0,0|1,0,2]=3 17 B8R0.28 CN(C)C\C=C\C(=O)O CS-0132058 [0,0,0,0,0,0|1,0,2]=3 18 B8R0.28 CN(C)C\C=C\C(=O)O CS-D1794 [0,0,0,0,0,0|1,0,2]=3 19 B8R0.28 CN(C)C\C=C\C(=O)O CS-M0298 [0,0,0,0,0,0|1,0,2]=3 20 B8R0.28 N=C(N)NCCC(=O)O CS-W016544 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.28 N=C(N)SCCC(=O)O CS-W018186 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.28 NC(=O)CCCC(N)=O CS-0012581 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.28 NC(=O)COCC(=O)O CS-0318293 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.28 NC(=O)NCCC(=O)O CS-0059512 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.28 O=C(O)CCCC(=O)O CS-W009536 [0,0,0,0,0,0|2,0,1]=3 26 B8R0.28 O=C(O)CCC[N+](=O)[O-] CS-0198123 [0,0,0,0,0,0|3,0,0]=3 27 B8R0.28 O=C(O)CNCC(=O)O CS-W013399 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.28 O=C(O)COCC(=O)O CS-0158474 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.28 O=C(O)CSCC(=O)O CS-W013299 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.4 C#CCCCC(=O)O CS-W009272 [1,0,0,0,0,0|0,0,2]=3 31 B7R0.4 C#CCOCC(=O)O CS-0070099 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.4 C=CCCCC(=O)O CS-0113496 [1,0,0,0,0,0|0,0,2]=3 33 B7R0.4 CC(=O)CCCCCl CS-W013363 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.4 CC(=O)OCCCCl CS-W017752 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.4 CC(=O)OCCCI CS-0166646 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.4 CC(C)CCCCBr CS-0154231 [1,0,0,0,0,0|1,0,1]=3 37 B7R0.4 CC(C)CCCCO CS-W011227 [1,0,0,0,0,0|0,0,1]=2 38 B7R0.4 CC(O)CCCCO CS-0572924 [1,0,0,0,0,0|1,0,1]=3 39 B7R0.4 CC(O)CSCCO CS-0159777 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.4 CCCCCB(O)O CS-W018820 [1,0,0,0,0,0|1,0,1]=3 41 B7R0.4 CCCCCC(C)O CS-W016595 [1,0,0,0,0,0|1,0,1]=3 42 B7R0.4 CCCCC[C@@H](C)O CS-0152365 [1,0,0,0,0,0|1,0,1]=3 43 B7R0.4 CCCCC[C@H](C)O CS-0179417 [1,0,0,0,0,0|1,0,1]=3 44 B7R0.4 CCCCNC(N)=O CS-0071736 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.4 CCCCNC(N)=S CS-0132422 [1,0,0,0,0,0|2,1,0]=4 46 B7R0.4 CCCCOC(=S)[S-] CS-0187867 [1,0,0,0,0,0|1,2,0]=4 47 B7R0.4 CCCNCC(=O)O CS-0250530 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.4 CCCOCC(=O)O CS-0152048 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.4 CCCSCC(=O)O CS-0651549 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.4 CCC\C=C\C(=O)O CS-W011247 [1,0,0,0,0,0|0,0,2]=3 51 B7R0.4 CCC\C=C\C(C)=O CS-0152429 [1,0,0,0,0,0|1,0,2]=4 52 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.4 CC\C=C\CC(=O)O CS-W011248 [1,0,0,0,0,0|0,0,2]=3 54 B7R0.4 CN(C)CCCCCl CS-0059660 [1,0,0,0,0,0|2,0,1]=4 55 B7R0.4 CN(C)CCCCN CS-0206346 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.4 CN(C)CCCCN CS-0669419 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.4 CN(C)CCCCO CS-W022016 [1,0,0,0,0,0|1,0,1]=3 58 B7R0.4 CNCCCC(=O)O CS-0096860 [1,0,0,0,0,0|1,0,0]=2 59 B7R0.4 CNCCCC(=O)O CS-0133777 [1,0,0,0,0,0|1,0,0]=2 60 B7R0.4 COCCCC(=O)O CS-W001021 [1,0,0,0,0,0|1,0,0]=2 61 B7R0.4 COC\C=C\C(=O)O CS-0100437 [1,0,0,0,0,0|1,0,2]=4 62 B7R0.4 C\C=C\CCC(=O)O CS-0232064 [1,0,0,0,0,0|0,0,2]=3 63 B7R0.4 N#CCCCC(=O)O CS-W018817 [1,0,0,0,0,0|1,0,1]=3 64 B7R0.4 NC(=O)COCCCl CS-0149936 [1,0,0,0,0,0|3,0,0]=4 65 B7R0.4 NCCCCC(=O)O CS-0181832 [1,0,0,0,0,0|1,0,0]=2 66 B7R0.4 NCCCCC(=O)O CS-W016594 [1,0,0,0,0,0|1,0,0]=2 67 B7R0.4 NCCNCC(=O)O CS-W013599 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.4 NCCOCC(=O)O CS-0115741 [1,0,0,0,0,0|2,0,0]=3 69 B7R0.4 NCCOCC(=O)O CS-0115743 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.4 NCCOCC(=O)O CS-0127947 [1,0,0,0,0,0|2,0,0]=3 71 B7R0.4 O=C(O)C#CCCO CS-0371334 [1,0,0,0,0,0|1,0,2]=4 72 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,0,0,0,0,0|1,0,0]=2 73 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,0,0,0,0,0|1,0,0]=2 74 B7R0.4 O=C(O)CNCCO CS-0158315 [1,0,0,0,0,0|2,0,0]=3 75 B7R0.4 O=C(O)COCCBr CS-0105329 [1,0,0,0,0,0|2,0,0]=3 76 B7R0.4 O=C(O)COCCCl CS-W006556 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.4 O=C(O)COCCS CS-0115755 [1,0,0,0,0,0|2,0,0]=3 78 B7R0.4 O=C(O)COCCS CS-0115757 [1,0,0,0,0,0|2,0,0]=3 79 B7R0.4 O=C([O-])COCCO CS-0158309 [1,0,0,0,0,0|2,0,1]=4 80 B9R0.1 C=CC(=O)OCCN(C)C CS-W016416 [0,1,0,0,0,0|3,0,0]=4 81 B9R0.1 COC(=O)CCCC(=O)O CS-W018239 [0,1,0,0,0,0|1,0,1]=3 82 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [0,1,0,0,0,0|1,0,1]=3 83 B9R0.1 COC(=O)CCC[N+](=O)[O-] CS-0039131 [0,1,0,0,0,0|3,0,0]=4 84 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CS-0102562 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CS-6301 [0,1,0,0,0,0|2,0,1]=4 86 B9R0.7 CC(C)C(=O)NCC(=O)O CS-0201719 [0,1,0,0,0,0|1,0,1]=3 87 B9R0.7 CC(C)CC[C@@H](N)C(=O)O CS-0154245 [0,1,0,0,0,0|0,0,0]=1 88 B9R0.7 CC(C)CC[C@H](N)C(=O)O CS-0498852 [0,1,0,0,0,0|0,0,0]=1 89 B9R0.7 CC(CCC(=O)O)C(=O)O CS-W018240 [0,1,0,0,0,0|2,0,1]=4 90 B9R0.7 CC(Cl)C(=O)NCC(=O)O CS-0161354 [0,1,0,0,0,0|2,0,1]=4 91 B9R0.7 CC(S)C(=O)NCC(=O)O CS-2431 [0,1,0,0,0,0|2,0,1]=4 92 B9R0.7 CN(C)C(=O)CCC(=O)O CS-0205917 [0,1,0,0,0,0|1,0,1]=3 93 B9R0.7 CN(C)C(=O)NCC(=O)O CS-0325340 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.7 CN(C)C(=S)SCC(=O)O CS-0151337 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.7 CS(=O)CCC(N)C(=O)O CS-0059319 [0,1,0,0,0,0|2,0,0]=3 96 B9R0.7 C[C@H](N)C(=O)NCC(=O)O CS-W010993 [0,1,0,0,0,0|2,0,1]=4 97 B9R0.7 C[S+](C)CCC(N)C(=O)O CS-0083177 [0,1,0,0,0,0|1,0,0]=2 98 B9R0.7 NC(=O)CCC(N)C(=O)O CS-4898 [0,1,0,0,0,0|2,0,1]=4 99 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CS-6029 [0,1,0,0,0,0|2,0,1]=4 100 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CS-1947 [0,1,0,0,0,0|2,0,1]=4 101 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CS-W018237 [0,1,0,0,0,0|2,0,1]=4 102 B9R0.7 NC(CCC(=O)O)C(=O)O CS-W010824 [0,1,0,0,0,0|2,0,1]=4 103 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0003473 [0,1,0,0,0,0|2,0,1]=4 104 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0043360 [0,1,0,0,0,0|2,0,1]=4 105 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0539410 [0,1,0,0,0,0|2,0,1]=4 106 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-W017035 [0,1,0,0,0,0|2,0,1]=4 107 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CS-6255 [0,1,0,0,0,0|2,0,1]=4 108 B9R0.7 [C@H](N)(CCS(C)=O)C(=O)O CS-W010820 [0,1,0,0,0,0|2,0,0]=3 109 B9R0.53 CC(=O)CC(=O)CC(C)C CS-0095754 [0,1,0,0,0,0|1,0,1]=3 110 B9R0.53 CC(=O)CC(=O)OC(C)C CS-0179766 [0,1,0,0,0,0|2,0,1]=4 111 B9R0.53 CC(C)CC(C)CC(C)O CS-0232992 [0,1,0,0,0,0|1,0,1]=3 112 B9R0.53 CC(C)CC(N)CC(=O)O CS-W021839 [0,1,0,0,0,0|0,0,0]=1 113 B9R0.53 CC(C)C[C@@H](N)CC(=O)O CS-0038509 [0,1,0,0,0,0|0,0,0]=1 114 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-0036492 [0,1,0,0,0,0|0,0,0]=1 115 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-W008482 [0,1,0,0,0,0|0,0,0]=1 116 B9R0.53 CC(CC(=O)O)CC(=O)O CS-0059397 [0,1,0,0,0,0|2,0,1]=4 117 B9R0.53 NC(CC(=O)O)CC(=O)O CS-0158462 [0,1,0,0,0,0|2,0,1]=4 118 B9R0.53 NC(CC(=O)O)CC(=O)O CS-0161137 [0,1,0,0,0,0|2,0,1]=4 119 B9R0.56 CC(=O)OCC[N+](C)(C)C CS-0020798 [0,1,0,0,0,0|3,0,0]=4 120 B9R0.56 CC(=O)OCC[N+](C)(C)C CS-0143594 [0,1,0,0,0,0|3,0,0]=4 121 B9R0.56 CC(=O)SCC[N+](C)(C)C CS-0199449 [0,1,0,0,0,0|3,0,0]=4 122 B9R0.56 CC(=O)SCC[N+](C)(C)C CS-D1378 [0,1,0,0,0,0|3,0,0]=4 123 B9R0.56 O=C(O)CNCC(F)(F)F CS-0257067 [0,1,0,0,0,0|3,0,0]=4 124 B9R0.56 O=C(O)COCC(F)(F)F CS-0098190 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.35 CC(=O)N1CCC(O)C1 CS-0155043 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.35 CC(=O)N1CC[C@@H](O)C1 CS-0052712 [0,0,0,1,0,0|3,0,0]=4 127 B9R1.35 CC(C)C1CNC(=O)C1 CS-0046667 [0,0,0,1,0,0|2,0,0]=3 128 B9R1.35 CC(C)C1COC(=O)N1 CS-0076533 [0,0,0,1,0,0|2,0,0]=3 129 B9R1.35 CC(C)[C@@H]1COC(=O)N1 CS-W002320 [0,0,0,1,0,0|2,0,0]=3 130 B9R1.35 CC(C)[C@@H]1COC(=S)N1 CS-0093694 [0,0,0,1,0,0|2,1,0]=4 131 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 CS-0097413 [0,0,0,1,0,0|2,1,0]=4 132 B9R1.35 CC(C)[C@H]1COC(=O)N1 CS-W002062 [0,0,0,1,0,0|2,0,0]=3 133 B9R1.35 CC(C)[C@H]1COC(=S)N1 CS-W016360 [0,0,0,1,0,0|2,1,0]=4 134 B9R1.35 CC(C)[C@H]1CSC(=S)N1 CS-0093689 [0,0,0,1,0,0|2,1,0]=4 135 B9R1.35 CN1CCC(C(=O)O)C1 CS-0005397 [0,0,0,1,0,0|1,0,0]=2 136 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 CS-0149995 [0,0,0,1,0,0|3,0,0]=4 137 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 CS-0671280 [0,0,0,1,0,0|3,0,0]=4 138 B9R1.35 NC(=O)[C@H]1C[C@@H](O)CN1 CS-0495436 [0,0,0,1,0,0|3,0,0]=4 139 B9R1.35 NC1CCC(C(=O)O)C1 CS-0051536 [0,0,0,1,0,0|1,0,0]=2 140 B9R1.35 NC1CCC(C(=O)O)C1 CS-0119364 [0,0,0,1,0,0|1,0,0]=2 141 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 CS-0101206 [0,0,0,1,0,0|1,0,2]=4 142 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0047789 [0,0,0,1,0,0|1,0,0]=2 143 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0058718 [0,0,0,1,0,0|1,0,0]=2 144 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 CS-0001906 [0,0,0,1,0,0|2,0,0]=3 145 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 CS-0157300 [0,0,0,1,0,0|1,0,2]=4 146 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0035738 [0,0,0,1,0,0|1,0,0]=2 147 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0053615 [0,0,0,1,0,0|1,0,0]=2 148 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0166792 [0,0,0,1,0,0|1,0,0]=2 149 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 CS-0162383 [0,0,0,1,0,0|1,0,0]=2 150 B9R1.35 N[C@H]1CN[C@@H](C(=O)O)C1 CS-0438145 [0,0,0,1,0,0|2,0,0]=3 151 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 CS-0028271 [0,0,0,1,0,0|2,0,0]=3 152 B9R1.35 O=C(O)C1CCC(Br)C1 CS-0380404 [0,0,0,1,0,0|1,0,0]=2 153 B9R1.35 O=C(O)C1CCC(O)C1 CS-0112577 [0,0,0,1,0,0|1,0,0]=2 154 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0037623 [0,0,0,1,0,0|2,0,0]=3 155 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0058696 [0,0,0,1,0,0|2,0,0]=3 156 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-0101213 [0,0,0,1,0,0|2,0,0]=3 157 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-W008928 [0,0,0,1,0,0|2,0,0]=3 158 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CS-0053410 [0,0,0,1,0,0|2,0,0]=3 159 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CS-0058726 [0,0,0,1,0,0|2,0,0]=3 160 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CS-0028245 [0,0,0,1,0,0|2,0,0]=3 161 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CS-W009077 [0,0,0,1,0,0|2,0,0]=3 162 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 CS-0053465 [0,0,0,1,0,0|2,0,0]=3 163 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CS-M0679 [0,0,0,1,0,0|2,0,0]=3 164 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 CS-0001913 [0,0,0,1,0,0|2,0,0]=3 165 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-0020162 [0,0,0,1,0,0|2,0,0]=3 166 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-W003511 [0,0,0,1,0,0|2,0,0]=3 167 B9R1.35 O=C1CC(C(=O)O)CN1 CS-0050412 [0,0,0,1,0,0|2,0,1]=4 168 B9R1.35 O=C1CCC(C(=O)O)C1 CS-W001693 [0,0,0,1,0,0|1,0,1]=3 169 B9R1.35 O=C1CCC(C(=O)O)N1 CS-W013454 [0,0,0,1,0,0|2,0,1]=4 170 B9R1.35 O=C1CCC(C(=O)O)O1 CS-0129013 [0,0,0,1,0,0|2,0,1]=4 171 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 CS-M0659 [0,0,0,1,0,0|2,0,1]=4 172 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 CS-D0218 [0,0,0,1,0,0|2,0,1]=4 173 B9R1.35 O=C1CC[C@H](C(=O)O)N1 CS-W002304 [0,0,0,1,0,0|2,0,1]=4 174 B9R1.35 O=C1CC[C@H](C(=O)O)O1 CS-W021140 [0,0,0,1,0,0|2,0,1]=4 175 B9R1.35 O=C1CN[C@H](C(=O)O)C1 CS-0271190 [0,0,0,1,0,0|2,0,1]=4 176 B9R1.35 O=C1CN[C@H](C(=O)O)C1 CS-0476427 [0,0,0,1,0,0|2,0,1]=4 177 B9R1.35 O=C1C[C@H](C(=O)O)CN1 CS-0053257 [0,0,0,1,0,0|2,0,1]=4 178 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)C1 CS-0044068 [0,0,0,1,0,0|1,0,1]=3 179 B9R1.35 [C@H]1(C(=O)O)CCC(=O)C1 CS-0044069 [0,0,0,1,0,0|1,0,1]=3 180 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 CS-W008129 [0,0,0,1,0,0|2,0,0]=3 181 B9R1.49 CN1CCCC(=O)CC1 CS-W003427 [0,0,0,1,0,0|2,0,0]=3 182 B9R1.49 O=C1CCCC(O)CN1 CS-0187220 [0,0,0,1,0,0|2,0,0]=3 183 B9R1.53 O=C(O)CC1CC(=O)C1 CS-0040780 [0,0,0,1,0,0|1,0,1]=3 184 B9R1.66 CC1(C)CC(=O)CCN1 CS-0153799 [0,0,0,1,0,0|2,0,0]=3 185 B9R1.66 CC1(C)CC(=O)CCO1 CS-D0378 [0,0,0,1,0,0|2,0,0]=3 186 B9R1.66 CC1(C)CC(O)CCN1 CS-0067288 [0,0,0,1,0,0|2,0,1]=4 187 B9R1.66 CC1(C)CC=CC(=O)C1 CS-0648459 [0,0,0,1,0,0|1,0,2]=4 188 B9R1.66 CC1(C)CCCC(=O)C1 CS-0010863 [0,0,0,1,0,0|1,0,0]=2 189 B9R1.66 CC1(C)CCCC(=O)N1 CS-0062136 [0,0,0,1,0,0|1,0,0]=2 190 B9R1.66 CC1(C)COCC(=O)N1 CS-0146687 [0,0,0,1,0,0|2,0,0]=3 191 B9R1.66 CC1CNCC(C)(C)O1 CS-0251847 [0,0,0,1,0,0|2,0,1]=4 192 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F CS-0312499 [0,0,0,1,0,0|2,0,0]=3 193 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O CS-0053628 [0,0,0,1,0,0|2,0,1]=4 194 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [0,0,0,0,1,0|0,0,2]=3 195 B7R0.6 C=C(C)CCC(C)=O CS-0225159 [0,0,0,0,1,0|1,0,2]=4 196 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [0,0,0,0,1,0|1,0,1]=3 197 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [0,0,0,0,1,0|2,0,1]=4 198 B7R0.6 CC(=O)NCC(=O)O CS-W020121 [0,0,0,0,1,0|2,0,1]=4 199 B7R0.6 CC(=O)OCC(=O)O CS-0155005 [0,0,0,0,1,0|2,0,1]=4 200 B7R0.6 CC(=O)SCC(=O)O CS-0083252 [0,0,0,0,1,0|2,0,1]=4 201 B7R0.6 CC(=O)\C=C\C(C)C CS-0199438 [0,0,0,0,1,0|1,0,2]=4 202 B7R0.6 CC(=S)NCC(=O)O CS-0504830 [0,0,0,0,1,0|2,0,1]=4 203 B7R0.6 CC(C)CCB(O)O CS-0154235 [0,0,0,0,1,0|1,0,1]=3 204 B7R0.6 CC(C)CCC(=O)O CS-W016598 [0,0,0,0,1,0|0,0,0]=1 205 B7R0.6 CC(C)CCC(C)O CS-0225168 [0,0,0,0,1,0|1,0,1]=3 206 B7R0.6 CC(C)OCC(=O)O CS-0005425 [0,0,0,0,1,0|1,0,0]=2 207 B7R0.6 CC(C)\C=C\C(=O)O CS-0206284 [0,0,0,0,1,0|0,0,2]=3 208 B7R0.6 CC(C)\C=C\C(=O)O CS-0642794 [0,0,0,0,1,0|0,0,2]=3 209 B7R0.6 CC(N)CCC(=O)O CS-0276521 [0,0,0,0,1,0|1,0,0]=2 210 B7R0.6 CC(O)CCC(C)O CS-0377979 [0,0,0,0,1,0|2,0,1]=4 211 B7R0.6 CN(C)CCC(=O)O CS-W007826 [0,0,0,0,1,0|1,0,0]=2 212 B7R0.6 C[C@@H](O)CC[C@@H](C)O CS-0040431 [0,0,0,0,1,0|2,0,1]=4 213 B7R0.6 C[C@H](N)CCC(=O)O CS-0529054 [0,0,0,0,1,0|1,0,0]=2 214 B7R0.6 C[C@H](O)CC[C@H](C)O CS-W013595 [0,0,0,0,1,0|2,0,1]=4 215 B7R0.6 C[S+](C)CCC(=O)O CS-0158148 [0,0,0,0,1,0|1,0,0]=2 216 B7R0.6 O=C(O)CCC(=O)O CS-0008946 [0,0,0,0,1,0|2,0,1]=4 217 B7R0.6 O=C(O)CCC(=O)O CS-0966740 [0,0,0,0,1,0|2,0,1]=4 218 B7R0.6 O=C(O)CCC(F)F CS-0375270 [0,0,0,0,1,0|2,0,0]=3 219 B7R0.6 O=C(O)COC(F)F CS-0102315 [0,0,0,0,1,0|3,0,0]=4 220 B9R0.55 CC(=O)CCCCC(=O)O CS-W008210 [0,0,0,0,0,1|1,0,1]=3 221 B9R0.55 CC(=O)CCCOC(C)=O CS-0089169 [0,0,0,0,0,1|2,0,1]=4 222 B9R0.55 CC(C)CCCCC(=O)O CS-0154230 [0,0,0,0,0,1|0,0,0]=1 223 B9R0.55 CN(C)CCCCC(=O)O CS-0151284 [0,0,0,0,0,1|1,0,0]=2 224 B9R0.55 CN(C)CCCCC(=O)O CS-0151285 [0,0,0,0,0,1|1,0,0]=2 225 B9R0.55 N=C(N)NCCCC(=O)O CS-0059514 [0,0,0,0,0,1|2,0,1]=4 226 B9R0.55 O=C(O)CCCCC(=O)O CS-W018238 [0,0,0,0,0,1|2,0,1]=4 227 B6R0.4 C#CCCC(=O)O CS-W008784 [2,0,0,0,0,0|0,0,2]=4 228 B6R0.4 C=CCCC(=O)O CS-W009138 [2,0,0,0,0,0|0,0,2]=4 229 B6R0.4 C=CCCC(C)O CS-0513969 [2,0,0,0,0,0|1,0,1]=4 230 B6R0.4 CC(=O)CCCCl CS-W013569 [2,0,0,0,0,0|2,0,0]=4 231 B6R0.4 CC(=O)CCCO CS-0020001 [2,0,0,0,0,0|1,0,1]=4 232 B6R0.4 CC(Br)CCCBr CS-0204659 [2,0,0,0,0,0|2,0,0]=4 233 B6R0.4 CC(C)CCCBr CS-0154233 [2,0,0,0,0,0|1,0,0]=3 234 B6R0.4 CC(C)CCCO CS-W007511 [2,0,0,0,0,0|0,0,0]=2 235 B6R0.4 CC(C)NCCCl CS-W006300 [2,0,0,0,0,0|2,0,0]=4 236 B6R0.4 CC(C)NCCN CS-0199017 [2,0,0,0,0,0|2,0,0]=4 237 B6R0.4 CC(C)NCCO CS-0076304 [2,0,0,0,0,0|1,0,0]=3 238 B6R0.4 CC(C)OCCBr CS-W018660 [2,0,0,0,0,0|2,0,0]=4 239 B6R0.4 CC(O)CCCO CS-0154051 [2,0,0,0,0,0|1,0,0]=3 240 B6R0.4 CCC#CC(=O)O CS-W013726 [2,0,0,0,0,0|0,0,2]=4 241 B6R0.4 CCCCB(O)O CS-W000932 [2,0,0,0,0,0|1,0,1]=4 242 B6R0.4 CCCCC(=N)N CS-0122242 [2,0,0,0,0,0|2,0,0]=4 243 B6R0.4 CCCCC(N)=S CS-0248646 [2,0,0,0,0,0|1,1,0]=4 244 B6R0.4 CCCCS(=O)[O-] CS-0851776 [2,0,0,0,0,0|1,0,1]=4 245 B6R0.4 CCCC[C@@H](C)O CS-0179419 [2,0,0,0,0,0|1,0,1]=4 246 B6R0.4 CCCC[C@H](C)O CS-0179420 [2,0,0,0,0,0|1,0,1]=4 247 B6R0.4 CCCNC(C)=O CS-0246738 [2,0,0,0,0,0|2,0,0]=4 248 B6R0.4 CCCOC(N)=O CS-W019060 [2,0,0,0,0,0|2,0,0]=4 249 B6R0.4 CCNCC(=O)O CS-0201673 [2,0,0,0,0,0|1,0,0]=3 250 B6R0.4 CCNCC(C)C CS-0071534 [2,0,0,0,0,0|1,0,1]=4 251 B6R0.4 CCOCC(=O)O CS-0071579 [2,0,0,0,0,0|1,0,0]=3 252 B6R0.4 CCSCC(=O)O CS-0197336 [2,0,0,0,0,0|1,0,0]=3 253 B6R0.4 CC\C=C\C(=O)O CS-0053528 [2,0,0,0,0,0|0,0,2]=4 254 B6R0.4 CN(C)CCCBr CS-W003771 [2,0,0,0,0,0|2,0,0]=4 255 B6R0.4 CN(C)CCCCl CS-W004690 [2,0,0,0,0,0|2,0,0]=4 256 B6R0.4 CN(C)CCCCl CS-W019575 [2,0,0,0,0,0|2,0,0]=4 257 B6R0.4 CN(C)CCCN CS-0214111 [2,0,0,0,0,0|2,0,0]=4 258 B6R0.4 CNCCC(=O)O CS-0112815 [2,0,0,0,0,0|1,0,0]=3 259 B6R0.4 CNCCC(=O)O CS-0169148 [2,0,0,0,0,0|1,0,0]=3 260 B6R0.4 CNCCC(C)C CS-0039334 [2,0,0,0,0,0|1,0,1]=4 261 B6R0.4 CNCCC(N)=O CS-0214971 [2,0,0,0,0,0|2,0,0]=4 262 B6R0.4 COCCC(=O)O CS-W009112 [2,0,0,0,0,0|1,0,0]=3 263 B6R0.4 CSCCC(=O)O CS-6296 [2,0,0,0,0,0|1,0,0]=3 264 B6R0.4 CSCCC(C)=O CS-0206726 [2,0,0,0,0,0|2,0,0]=4 265 B6R0.4 C[C@@H](N)CCCO CS-0634445 [2,0,0,0,0,0|1,0,0]=3 266 B6R0.4 C[C@H](N)CCCO CS-0652529 [2,0,0,0,0,0|1,0,0]=3 267 B6R0.4 C\C=C\CC(=O)O CS-0129103 [2,0,0,0,0,0|0,0,2]=4 268 B6R0.4 N#CCCC(=O)O CS-W018565 [2,0,0,0,0,0|1,0,1]=4 269 B6R0.4 NCCCC(=O)O CS-W020704 [2,0,0,0,0,0|1,0,0]=3 270 B6R0.4 NCCCC(N)=O CS-0103894 [2,0,0,0,0,0|2,0,0]=4 271 B6R0.4 O=C(O)CCCBr CS-W016047 [2,0,0,0,0,0|1,0,0]=3 272 B6R0.4 O=C(O)CCCCl CS-W013545 [2,0,0,0,0,0|1,0,0]=3 273 B6R0.6 C=CCCCCBr CS-W008939 [2,0,0,0,0,0|2,0,0]=4 274 B6R0.6 C=CCCCCN CS-0210385 [2,0,0,0,0,0|2,0,0]=4 275 B6R0.6 C=CCCCCO CS-W013711 [2,0,0,0,0,0|2,0,0]=4 276 B6R0.6 CCCCCCI CS-0132388 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.6 CCCCCCN CS-0196786 [2,0,0,0,0,0|1,0,1]=4 278 B6R0.6 CCCNCCO CS-0105782 [2,0,0,0,0,0|1,0,1]=4 279 B6R0.6 CCC\C=C\C=O CS-0099263 [2,0,0,0,0,0|0,0,2]=4 280 B6R0.6 CCOCCCO CS-W013685 [2,0,0,0,0,0|1,0,1]=4 281 B6R0.6 CNCCCCO CS-W006493 [2,0,0,0,0,0|1,0,1]=4 282 B6R0.6 COCCCCO CS-0150179 [2,0,0,0,0,0|1,0,1]=4 283 B6R0.6 CSCCCCO CS-0204406 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.6 NCCCCCO CS-W013687 [2,0,0,0,0,0|1,0,1]=4 285 B6R0.6 OCCCCCBr CS-0905394 [2,0,0,0,0,0|1,0,1]=4 286 B6R0.6 OCCCCCBr CS-W007393 [2,0,0,0,0,0|1,0,1]=4 287 B6R0.6 OCCCCCCl CS-0095410 [2,0,0,0,0,0|1,0,1]=4 288 B6R0.6 OCCCCCI CS-0252955 [2,0,0,0,0,0|1,0,1]=4 289 B6R0.6 OCCCCCO CS-W020635 [2,0,0,0,0,0|1,0,1]=4 290 B8R0.5 CCC[C@H](N)CC(=O)O CS-0152590 [1,1,0,0,0,0|0,0,0]=2 291 B8R0.5 CCC[C@H](N)CC(=O)O CS-0678068 [1,1,0,0,0,0|0,0,0]=2 292 B8R0.5 CCC\C(C)=C\C(=O)O CS-0072967 [1,1,0,0,0,0|0,0,2]=4 293 B8R0.5 CCOC(=O)CC(=O)O CS-0016016 [1,1,0,0,0,0|1,0,1]=4 294 B8R0.6 C#CC(O)CCCCC CS-W011154 [1,1,0,0,0,0|1,0,1]=4 295 B8R0.6 C#CCCCC(=O)OC CS-0127624 [1,1,0,0,0,0|0,0,2]=4 296 B8R0.6 C=CC(=O)CCCCC CS-0168504 [1,1,0,0,0,0|1,0,0]=3 297 B8R0.6 C=CC(=O)NCCCC CS-0152107 [1,1,0,0,0,0|2,0,0]=4 298 B8R0.6 C=CC(O)CCCCC CS-W011126 [1,1,0,0,0,0|1,0,1]=4 299 B8R0.6 C=CCCCC(=O)OC CS-0015919 [1,1,0,0,0,0|0,0,2]=4 300 B8R0.6 CCCCCC(=O)NN CS-0152328 [1,1,0,0,0,0|1,0,0]=3 301 B8R0.6 CCCCCC(O)CC CS-0152331 [1,1,0,0,0,0|1,0,1]=4 302 B8R0.6 CCCCC[C@@H](O)CC CS-0464840 [1,1,0,0,0,0|1,0,1]=4 303 B8R0.6 CCCCNC(=O)CCl CS-0116592 [1,1,0,0,0,0|2,0,0]=4 304 B8R0.6 CCCCOC(=O)CN CS-0571899 [1,1,0,0,0,0|2,0,0]=4 305 B8R0.6 CCCCOC(=O)CS CS-0297731 [1,1,0,0,0,0|1,1,0]=4 306 B8R0.6 CCC\C=C\C(=O)OC CS-W013465 [1,1,0,0,0,0|0,0,2]=4 307 B8R0.6 CNCCCC(=O)OC CS-0112438 [1,1,0,0,0,0|1,0,0]=3 308 B8R0.6 COC(=O)CCCC#N CS-0216788 [1,1,0,0,0,0|1,0,1]=4 309 B8R0.6 COC(=O)CCCCBr CS-W022866 [1,1,0,0,0,0|1,0,0]=3 310 B8R0.6 COC(=O)CCCCCl CS-0098043 [1,1,0,0,0,0|1,0,0]=3 311 B8R0.6 COC(=O)CCCCN CS-0018002 [1,1,0,0,0,0|1,0,0]=3 312 B8R0.6 COC(=O)CCCCO CS-0021769 [1,1,0,0,0,0|1,0,0]=3 313 B8R0.6 COC(=O)COCCCl CS-0209481 [1,1,0,0,0,0|2,0,0]=4 314 B8R0.6 COCCCC(=O)OC CS-W011093 [1,1,0,0,0,0|1,0,0]=3 315 B8R0.6 O=C(CCCCO)O[Na] CS-0047732 [1,1,0,0,0,0|1,0,0]=3 316 B8R0.7 C#CCCCCC(=O)O CS-0020150 [1,1,0,0,0,0|0,0,1]=3 317 B8R0.7 C#CCCOCC(=O)O CS-0614377 [1,1,0,0,0,0|0,0,2]=4 318 B8R0.7 C#CCOCCC(=O)O CS-0108409 [1,1,0,0,0,0|0,0,2]=4 319 B8R0.7 C=CCCCCC(=O)O CS-0097711 [1,1,0,0,0,0|0,0,1]=3 320 B8R0.7 CC(=O)NCCCCN CS-0453679 [1,1,0,0,0,0|2,0,0]=4 321 B8R0.7 CC(=O)OCCCCCl CS-W010967 [1,1,0,0,0,0|2,0,0]=4 322 B8R0.7 CC(C)CCCCCO CS-0210352 [1,1,0,0,0,0|0,0,1]=3 323 B8R0.7 CC(C)CCCCCO CS-0641181 [1,1,0,0,0,0|0,0,1]=3 324 B8R0.7 CC(C)NCCCCO CS-M3069 [1,1,0,0,0,0|0,0,1]=3 325 B8R0.7 CCCCCCB(O)O CS-W000880 [1,1,0,0,0,0|1,0,1]=4 326 B8R0.7 CCCCCCC(C)=O CS-W011125 [1,1,0,0,0,0|1,0,0]=3 327 B8R0.7 CCCCCCC(C)O CS-W011107 [1,1,0,0,0,0|1,0,1]=4 328 B8R0.7 CCCCCC[C@@H](C)O CS-0140572 [1,1,0,0,0,0|1,0,1]=4 329 B8R0.7 CCCCCC[C@H](C)O CS-0140577 [1,1,0,0,0,0|1,0,1]=4 330 B8R0.7 CCCCOCC(=O)O CS-0152080 [1,1,0,0,0,0|0,0,0]=2 331 B8R0.7 CN(C)CCOCCO CS-W011078 [1,1,0,0,0,0|1,0,1]=4 332 B8R0.7 COCCOCC(=O)O CS-0084611 [1,1,0,0,0,0|1,0,0]=3 333 B8R0.7 COCCOCC(=O)O CS-0527879 [1,1,0,0,0,0|1,0,0]=3 334 B8R0.7 COCCOCC(=O)O CS-0527882 [1,1,0,0,0,0|1,0,0]=3 335 B8R0.7 NC(=O)CCCCCBr CS-0138401 [1,1,0,0,0,0|1,0,0]=3 336 B8R0.7 NCCCCCC(=O)O CS-2204 [1,1,0,0,0,0|0,0,0]=2 337 B8R0.7 NCCCCCC(N)=O CS-0137981 [1,1,0,0,0,0|1,0,0]=3 338 B8R0.7 O=C(O)CCCCCBr CS-W007559 [1,1,0,0,0,0|0,0,0]=2 339 B8R0.7 O=C(O)CCCCCCl CS-W018132 [1,1,0,0,0,0|0,0,0]=2 340 B8R0.7 O=C(O)CCCCCO CS-0158392 [1,1,0,0,0,0|0,0,0]=2 341 B8R0.7 O=C(O)CCCCC[O-] CS-0160664 [1,1,0,0,0,0|0,0,0]=2 342 B8R0.7 O=C(O)CCOCCBr CS-0107735 [1,1,0,0,0,0|1,0,0]=3 343 B8R0.7 O=C(O)CCOCCO CS-0066172 [1,1,0,0,0,0|1,0,0]=3 344 B8R0.7 O=C(O)CCOCCO CS-0528773 [1,1,0,0,0,0|1,0,0]=3 345 B8R0.7 O=C([O-])CCCCCO CS-0158395 [1,1,0,0,0,0|0,0,1]=3 346 B8R0.8 C=CCC[C@@H](N)C(=O)O CS-0100555 [1,1,0,0,0,0|0,0,2]=4 347 B8R0.8 C=CCC[C@H](N)C(=O)O CS-0100618 [1,1,0,0,0,0|0,0,2]=4 348 B8R0.8 CCCCC(=O)C(=O)O CS-0069654 [1,1,0,0,0,0|0,0,1]=3 349 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [1,1,0,0,0,0|0,0,0]=2 350 B8R0.8 CCCCC(O)C(=O)O CS-M0542 [1,1,0,0,0,0|0,0,0]=2 351 B8R0.8 CCCC[C@@H](N)C(=O)O CS-0019200 [1,1,0,0,0,0|0,0,0]=2 352 B8R0.8 CCCC[C@H](N)C(=O)O CS-W020710 [1,1,0,0,0,0|0,0,0]=2 353 B8R0.8 CSCCC(N)C(=O)O CS-0008889 [1,1,0,0,0,0|1,0,0]=3 354 B8R0.8 CSCCC(O)C(=O)O CS-0066284 [1,1,0,0,0,0|1,0,0]=3 355 B8R0.8 CSCC[C@@H](N)C(=O)O CS-7880 [1,1,0,0,0,0|1,0,0]=3 356 B8R0.8 CSCC[C@H](N)C(=O)O CS-W020566 [1,1,0,0,0,0|1,0,0]=3 357 B8R0.8 CSCC[C@H](N)C(N)=O CS-W016972 [1,1,0,0,0,0|2,0,0]=4 358 B8R0.8 C[Se]CCC(N)C(=O)O CS-4494 [1,1,0,0,0,0|1,0,0]=3 359 B8R0.8 C[Se]CC[C@H](N)C(=O)O CS-5178 [1,1,0,0,0,0|1,0,0]=3 360 B8R0.8 NCCCC(N)C(=O)O CS-0136494 [1,1,0,0,0,0|1,0,0]=3 361 B8R0.8 NCCC[C@@H](N)C(=O)O CS-0020076 [1,1,0,0,0,0|1,0,0]=3 362 B8R0.8 NCCC[C@H](N)C(=O)O CS-0159620 [1,1,0,0,0,0|1,0,0]=3 363 B8R0.8 NCCC[C@H](N)C(=O)O CS-4817 [1,1,0,0,0,0|1,0,0]=3 364 B8R0.8 [C@H](N)(CCCN)C(=O)O CS-W017734 [1,1,0,0,0,0|1,0,0]=3 365 B8R0.9 CCC(=O)NCC(=O)O CS-0643654 [1,1,0,0,0,0|1,0,1]=4 366 B8R0.9 CN(C)CCN(C)C=O CS-0172412 [1,1,0,0,0,0|2,0,0]=4 367 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [1,1,0,0,0,0|1,0,1]=4 368 B8R0.9 NCC(=O)CCC(=O)O CS-2575 [1,1,0,0,0,0|1,0,1]=4 369 B8R0.9 O=C(O)CCC(=O)CBr CS-0185092 [1,1,0,0,0,0|1,0,1]=4 370 B8R0.21 NCCCCP(=O)(O)O CS-W019288 [1,1,0,0,0,0|2,0,0]=4 371 B8R0.21 O=S(=O)(O)CCCCO CS-0132130 [1,1,0,0,0,0|2,0,0]=4 372 B8R0.23 C=C(CC(C)C)C(C)=O CS-0132337 [0,1,0,0,1,0|1,0,1]=4 373 B8R0.23 C=C(CN(C)C)C(=O)O CS-0168545 [0,1,0,0,1,0|1,0,1]=4 374 B8R0.23 CC(C)C(N)CC(=O)O CS-W013424 [0,1,0,0,1,0|0,0,0]=2 375 B8R0.23 CC(C)CC(=O)C(=O)O CS-W013438 [0,1,0,0,1,0|0,0,1]=3 376 B8R0.23 CC(C)CC(Br)C(=O)O CS-W021616 [0,1,0,0,1,0|0,0,0]=2 377 B8R0.23 CC(C)CC(N)C(=O)O CS-W020700 [0,1,0,0,1,0|0,0,0]=2 378 B8R0.23 CC(C)CC(N)C(N)=O CS-0154067 [0,1,0,0,1,0|1,0,0]=3 379 B8R0.23 CC(C)C[C@@H](N)C(=O)O CS-D1369 [0,1,0,0,1,0|0,0,0]=2 380 B8R0.23 CC(C)C[C@@H](N)C(N)=O CS-0169320 [0,1,0,0,1,0|1,0,0]=3 381 B8R0.23 CC(C)C[C@@H](O)C(=O)O CS-0000170 [0,1,0,0,1,0|0,0,0]=2 382 B8R0.23 CC(C)C[C@H](N)C(=O)O CS-W020705 [0,1,0,0,1,0|0,0,0]=2 383 B8R0.23 CC(C)C[C@H](N)C(N)=O CS-0128410 [0,1,0,0,1,0|1,0,0]=3 384 B8R0.23 CC(C)C[C@H](O)C(=O)O CS-0000169 [0,1,0,0,1,0|0,0,0]=2 385 B8R0.23 CC(C)[C@@H](N)CC(=O)O CS-0038681 [0,1,0,0,1,0|0,0,0]=2 386 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0039103 [0,1,0,0,1,0|0,0,0]=2 387 B8R0.23 CS(=O)C[C@H](N)C(=O)O CS-W018120 [0,1,0,0,1,0|2,0,0]=4 388 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CS-0201887 [0,1,0,0,1,0|1,0,0]=3 389 B8R0.23 N[C@@H](CC(F)F)C(=O)O CS-0134027 [0,1,0,0,1,0|2,0,0]=4 390 B8R0.23 [C@H](N)(CC(=O)O)C(C)C CS-W005787 [0,1,0,0,1,0|0,0,0]=2 391 B8R0.29 CC(C)(C)C#CC(=O)O CS-0371341 [0,1,0,0,1,0|0,0,2]=4 392 B8R0.29 CC(C)(C)NCC(=O)O CS-W021463 [0,1,0,0,1,0|1,0,0]=3 393 B8R0.29 CC(C)(C)OCC(=O)O CS-W013413 [0,1,0,0,1,0|1,0,0]=3 394 B8R0.29 CC(C)(N)CCC(=O)O CS-0273048 [0,1,0,0,1,0|0,0,0]=2 395 B8R0.29 CC(F)(F)CCC(=O)O CS-0248177 [0,1,0,0,1,0|1,0,0]=3 396 B8R0.29 CS(=O)(=O)CCC(=O)O CS-0038744 [0,1,0,0,1,0|2,0,0]=4 397 B8R0.29 C[Si](C)(C)CCC(=O)O CS-0698434 [0,1,0,0,1,0|0,1,0]=3 398 B8R0.29 O=C(O)CCC(F)(F)F CS-W007460 [0,1,0,0,1,0|2,0,0]=4 399 B10R0.55 C=CC(=O)NCCCN(C)C CS-W017995 [0,1,0,0,0,1|2,0,0]=4 400 B10R0.55 COC(=O)CCCCC(=O)O CS-W017938 [0,1,0,0,0,1|1,0,1]=4 401 B10R0.55 COC(=O)CCCCC(C)=O CS-W022881 [0,1,0,0,0,1|1,0,1]=4 402 B10R0.96 CC(=O)CC(=O)CCC(=O)O CS-W010900 [0,1,0,0,0,1|1,0,1]=4 403 B10R0.96 CC(C)CC(=O)NCC(=O)O CS-W016180 [0,1,0,0,0,1|0,0,1]=3 404 B10R0.96 CN(C)NC(=O)CCC(=O)O CS-1288 [0,1,0,0,0,1|1,0,1]=4 405 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O CS-0640828 [0,1,0,0,0,1|1,0,1]=4 406 B10R0.3 CC(C)CCCC(C)CCO CS-W010892 [0,2,0,0,0,0|1,0,1]=4 407 B10R0.3 CC(C)CCC[C@H](C)CCO CS-0695932 [0,2,0,0,0,0|1,0,1]=4 408 B10R0.3 CCCC(=O)CCCC(=O)O CS-0323350 [0,2,0,0,0,0|1,0,1]=4 409 B10R0.3 CCOC(=O)CCCC(=O)O CS-0151584 [0,2,0,0,0,0|1,0,1]=4 410 B10R0.3 CCOC(=O)CCCC(C)=O CS-W010896 [0,2,0,0,0,0|1,0,1]=4 411 B10R0.44 COC(=O)CC(=O)CC(C)C CS-W000361 [0,2,0,0,0,0|0,0,1]=3 412 B10R0.44 COC(=O)C[C@@H](N)CC(C)C CS-0498519 [0,2,0,0,0,0|0,0,0]=2 413 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O CS-W016141 [0,2,0,0,0,0|1,0,1]=4 414 B10R0.57 COC(=O)[C@H](N)CCC(=O)O CS-0150946 [0,2,0,0,0,0|1,0,1]=4 415 B10R0.59 COC(=O)CCCC(=O)OC CS-0130885 [0,2,0,0,0,0|1,0,1]=4 416 B10R0.82 COC(=O)CCC(N)C(=O)O CS-0150702 [0,2,0,0,0,0|1,0,1]=4 417 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O CS-W022740 [0,2,0,0,0,0|1,0,1]=4 418 B10R0.82 COC(=O)CC[C@H](N)C(=O)O CS-W014394 [0,2,0,0,0,0|1,0,1]=4 419 B10R0.82 NCC(O)CCC(N)C(=O)O CS-W015646 [0,2,0,0,0,0|1,0,0]=3 420 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O CS-0375848 [0,2,0,0,0,0|0,0,0]=2 421 B10R0.92 CC(C)(C)OC[C@@H](N)C(=O)O CS-0043573 [0,2,0,0,0,0|1,0,0]=3 422 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O CS-W010872 [0,2,0,0,0,0|1,0,0]=3 423 B10R0.92 CC(C)(C)SC[C@@H](N)C(=O)O CS-0154652 [0,2,0,0,0,0|1,0,0]=3 424 B10R0.92 CC(C)(C)SC[C@H](N)C(=O)O CS-W014954 [0,2,0,0,0,0|1,0,0]=3 425 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O CS-0013677 [0,2,0,0,0,0|2,0,0]=4 426 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O CS-0111660 [0,2,0,0,0,0|2,0,0]=4 427 B10R0.92 N[C@H](CCC(F)(F)F)C(=O)O CS-0105959 [0,2,0,0,0,0|2,0,0]=4 428 B10R0.31 CC(C)(C)OC(=O)CC(=O)O CS-D1454 [0,2,0,0,0,0|1,0,1]=4 429 B10R0.31 C[N+](C)(C)C[C@@H](O)CC(=O)[O-] CS-W013266 [0,2,0,0,0,0|1,0,1]=4 430 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O CS-0159622 [0,2,0,0,0,0|1,0,0]=3 431 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[O-] CS-0158160 [0,2,0,0,0,0|1,0,1]=4 432 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [1,0,0,1,0,0|1,0,0]=3 433 B8R1.1 CCC1COC(=O)N1 CS-0447690 [1,0,0,1,0,0|2,0,0]=4 434 B8R1.1 CCC1COC(=O)O1 CS-0187002 [1,0,0,1,0,0|1,0,0]=3 435 B8R1.1 CC[C@H]1COC(=O)N1 CS-0093963 [1,0,0,1,0,0|2,0,0]=4 436 B8R1.1 CN1CCC(CO)C1 CS-0005413 [1,0,0,1,0,0|1,0,1]=4 437 B8R1.1 CN1CC[C@@H](CO)C1 CS-D0333 [1,0,0,1,0,0|1,0,1]=4 438 B8R1.1 NCC1CCC(=O)N1 CS-0029734 [1,0,0,1,0,0|2,0,0]=4 439 B8R1.1 NCC1CCC(=O)N1 CS-0075962 [1,0,0,1,0,0|2,0,0]=4 440 B8R1.1 NC[C@@H]1CCC(=O)N1 CS-0144990 [1,0,0,1,0,0|2,0,0]=4 441 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [1,0,0,1,0,0|2,0,0]=4 442 B8R1.1 O=C1CCC(CO)C1 CS-0315717 [1,0,0,1,0,0|2,0,0]=4 443 B8R1.1 O=C1CCC(CO)N1 CS-W001608 [1,0,0,1,0,0|2,0,0]=4 444 B8R1.1 O=C1CCC(CO)O1 CS-0113560 [1,0,0,1,0,0|1,0,0]=3 445 B8R1.1 O=C1CC[C@@H](CBr)N1 CS-B0460 [1,0,0,1,0,0|2,0,0]=4 446 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [1,0,0,1,0,0|2,0,0]=4 447 B8R1.1 O=C1CC[C@H](CO)N1 CS-W001840 [1,0,0,1,0,0|2,0,0]=4 448 B8R1.1 O=C1NCC(CO)O1 CS-0113076 [1,0,0,1,0,0|2,0,0]=4 449 B8R1.1 O=C1NC[C@@H](CCl)O1 CS-0186187 [1,0,0,1,0,0|2,0,0]=4 450 B8R1.1 O=C1NC[C@@H](CO)O1 CS-0067235 [1,0,0,1,0,0|2,0,0]=4 451 B8R1.1 O=C1NC[C@H](CCl)O1 CS-0436811 [1,0,0,1,0,0|2,0,0]=4 452 B8R1.1 O=C1NC[C@H](CO)O1 CS-0131343 [1,0,0,1,0,0|2,0,0]=4 453 B8R1.1 O=C1OCC(CO)O1 CS-0158426 [1,0,0,1,0,0|2,0,0]=4 454 B8R1.4 CC1=CC(=O)CCC1 CS-0128362 [1,0,0,1,0,0|0,0,2]=4 455 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [1,0,0,1,0,0|1,0,0]=3 456 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [1,0,0,1,0,0|1,0,0]=3 457 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [1,0,0,1,0,0|1,0,0]=3 458 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [1,0,0,1,0,0|0,0,0]=2 459 B8R1.4 CC1CCCC(N)C1 CS-D0430 [1,0,0,1,0,0|1,0,1]=4 460 B8R1.4 CC1COCC(=O)N1 CS-0146686 [1,0,0,1,0,0|2,0,0]=4 461 B8R1.4 CN1CCNC(=O)C1 CS-W003814 [1,0,0,1,0,0|2,0,0]=4 462 B8R1.4 CN1CCOC(=O)C1 CS-W001837 [1,0,0,1,0,0|2,0,0]=4 463 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [1,0,0,1,0,0|1,0,0]=3 464 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [1,0,0,1,0,0|1,0,0]=3 465 B8R1.4 C[C@@H]1COCC(=O)N1 CS-0059832 [1,0,0,1,0,0|2,0,0]=4 466 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [1,0,0,1,0,0|1,0,0]=3 467 B8R1.4 C[C@H]1COCC(=O)N1 CS-W023097 [1,0,0,1,0,0|2,0,0]=4 468 B8R1.4 NC1CCCC(O)C1 CS-W005423 [1,0,0,1,0,0|1,0,1]=4 469 B8R1.4 NC1CCNC(=O)C1 CS-0051036 [1,0,0,1,0,0|2,0,0]=4 470 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 CS-0047790 [1,0,0,1,0,0|1,0,1]=4 471 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 CS-0134685 [1,0,0,1,0,0|1,0,1]=4 472 B8R1.4 N[C@@H]1CCC[C@H](O)C1 CS-0112892 [1,0,0,1,0,0|1,0,1]=4 473 B8R1.4 O=C1CC(O)CCN1 CS-W003628 [1,0,0,1,0,0|2,0,0]=4 474 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [1,0,0,1,0,0|1,0,1]=4 475 B8R1.4 O=C1C[C@@H](O)CCN1 CS-W021175 [1,0,0,1,0,0|2,0,0]=4 476 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [1,0,0,1,0,0|2,0,0]=4 477 B8R1.6 COCC1CC(=O)C1 CS-0416147 [1,0,0,1,0,0|2,0,0]=4 478 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [1,0,0,1,0,0|1,0,0]=3 479 B8R1.7 CC(=O)N1CCCC1 CS-0055117 [1,0,0,1,0,0|2,0,0]=4 480 B8R1.7 CC(C)[C@H]1CCNC1 CS-0053334 [1,0,0,1,0,0|2,0,0]=4 481 B8R1.7 CC(O)C1CCCC1 CS-0144924 [1,0,0,1,0,0|1,0,1]=4 482 B8R1.7 NC(=O)C1CCCC1 CS-0205277 [1,0,0,1,0,0|1,0,0]=3 483 B8R1.7 NC(=O)C1CCCN1 CS-0450473 [1,0,0,1,0,0|2,0,0]=4 484 B8R1.7 NC(=O)C1CCCN1 CS-W005850 [1,0,0,1,0,0|2,0,0]=4 485 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-D1209 [1,0,0,1,0,0|2,0,0]=4 486 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-W018129 [1,0,0,1,0,0|2,0,0]=4 487 B8R1.7 NC(=O)[C@H]1CCCN1 CS-W013637 [1,0,0,1,0,0|2,0,0]=4 488 B8R1.7 NC(=O)[C@H]1CCNC1 CS-0053244 [1,0,0,1,0,0|2,0,0]=4 489 B8R1.7 NC(=S)C1CCCC1 CS-0468896 [1,0,0,1,0,0|1,1,0]=4 490 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [1,0,0,1,0,0|0,0,2]=4 491 B8R1.7 O=C(O)C1CC=CC1 CS-W002373 [1,0,0,1,0,0|0,0,2]=4 492 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [1,0,0,1,0,0|0,0,0]=2 493 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [1,0,0,1,0,0|1,0,0]=3 494 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [1,0,0,1,0,0|1,0,0]=3 495 B8R1.7 O=C(O)C1CCCS1 CS-W000375 [1,0,0,1,0,0|1,0,0]=3 496 B8R1.7 O=C(O)C1CCNC1 CS-0040176 [1,0,0,1,0,0|1,0,0]=3 497 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [1,0,0,1,0,0|1,0,0]=3 498 B8R1.7 O=C(O)C1CCOC1 CS-W004096 [1,0,0,1,0,0|1,0,0]=3 499 B8R1.7 O=C(O)C1CSCN1 CS-8024 [1,0,0,1,0,0|2,0,0]=4 500 B8R1.7 O=C(O)C1NCCS1 CS-0204253 [1,0,0,1,0,0|2,0,0]=4 501 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-W019861 [1,0,0,1,0,0|1,0,0]=3 502 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-WAA0253 [1,0,0,1,0,0|1,0,0]=3 503 B8R1.7 O=C(O)[C@@H]1CCCO1 CS-W004117 [1,0,0,1,0,0|1,0,0]=3 504 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-0053309 [1,0,0,1,0,0|1,0,0]=3 505 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-D1771 [1,0,0,1,0,0|1,0,0]=3 506 B8R1.7 O=C(O)[C@@H]1CSCN1 CS-W013392 [1,0,0,1,0,0|2,0,0]=4 507 B8R1.7 O=C(O)[C@H]1CCCN1 CS-W020557 [1,0,0,1,0,0|1,0,0]=3 508 B8R1.7 O=C(O)[C@H]1CCCO1 CS-W005223 [1,0,0,1,0,0|1,0,0]=3 509 B8R1.7 O=C(O)[C@H]1CCNC1 CS-0053243 [1,0,0,1,0,0|1,0,0]=3 510 B8R1.7 O=C(O)[C@H]1CCNC1 CS-D0752 [1,0,0,1,0,0|1,0,0]=3 511 B8R1.7 O=C(O)[C@H]1CCOC1 CS-0053249 [1,0,0,1,0,0|1,0,0]=3 512 B8R1.7 O=C(O)[C@H]1CSCN1 CS-0097362 [1,0,0,1,0,0|2,0,0]=4 513 B8R1.7 OB(O)C1CCCC1 CS-W000955 [1,0,0,1,0,0|1,0,1]=4 514 B8R1.7 [C@@H]1(C(=O)O)CCOC1 CS-W006196 [1,0,0,1,0,0|1,0,0]=3 515 B8R1.19 CC1(C)CCCC1=O CS-0040450 [1,0,0,1,0,0|0,0,0]=2 516 B8R1.19 CC1(C)CCCC1O CS-0072492 [1,0,0,1,0,0|0,0,1]=3 517 B8R1.19 CC1(C)CCNC1=O CS-0046646 [1,0,0,1,0,0|1,0,0]=3 518 B8R1.19 CC1(C)CONC1=O CS-0067875 [1,0,0,1,0,0|2,0,0]=4 519 B8R1.22 BrC1=CCCCCC1 CS-0448697 [1,0,0,1,0,0|2,0,0]=4 520 B8R1.22 C=C1OCCCCO1 CS-W006464 [1,0,0,1,0,0|2,0,0]=4 521 B8R1.22 CC1CCCNCC1 CS-0199646 [1,0,0,1,0,0|2,0,0]=4 522 B8R1.22 O=C1C=CCCCC1 CS-W007594 [1,0,0,1,0,0|1,0,1]=4 523 B8R1.22 O=C1CCCCCN1 CS-W011258 [1,0,0,1,0,0|1,0,0]=3 524 B8R1.22 O=C1CCCCNC1 CS-0155246 [1,0,0,1,0,0|2,0,0]=4 525 B8R1.22 O=C1CCCNCC1 CS-W001845 [1,0,0,1,0,0|2,0,0]=4 526 B8R1.22 O=C1CCNCCN1 CS-W003673 [1,0,0,1,0,0|2,0,0]=4 527 B8R1.22 O=C1CCOCCN1 CS-W021289 [1,0,0,1,0,0|2,0,0]=4 528 B8R1.22 O=C1COCCCN1 CS-0037454 [1,0,0,1,0,0|2,0,0]=4 529 B8R1.22 O=C1OCCCCO1 CS-0665438 [1,0,0,1,0,0|1,0,0]=3 530 B8R1.22 OC1=NCCNCC1 CS-W011246 [1,0,0,1,0,0|2,0,0]=4 531 B8R1.22 OC1CCCCCC1 CS-W013633 [1,0,0,1,0,0|1,0,1]=4 532 B8R1.34 O=C(O)C=C1CCC1 CS-0045555 [1,0,0,1,0,0|0,0,2]=4 533 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [1,0,0,1,0,0|0,0,0]=2 534 B8R1.34 O=C(O)CC1COC1 CS-0045509 [1,0,0,1,0,0|1,0,0]=3 535 B8R1.35 O=C(O)C#CC1CC1 CS-0071182 [1,0,0,1,0,0|0,0,2]=4 536 B8R1.35 O=C(O)CCC1CC1 CS-D0289 [1,0,0,1,0,0|0,0,0]=2 537 B8R1.35 O=C(O)\C=C\C1CC1 CS-B1741 [1,0,0,1,0,0|0,0,2]=4 538 B8R1.36 CCCCCC1CO1 CS-0205209 [1,0,0,1,0,0|1,0,1]=4 539 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O CS-0047826 [1,0,0,1,0,0|1,0,1]=4 540 B8R1.72 CC1(C)CNCCO1 CS-W003622 [1,0,0,1,0,0|1,0,1]=4 541 B8R1.72 CC1(O)CCCCC1 CS-W013634 [1,0,0,1,0,0|1,0,1]=4 542 B8R1.72 N=S1(=O)CCCCC1 CS-0134127 [1,0,0,1,0,0|2,0,0]=4 543 B8R1.3 CC1CCC(=O)CC1 CS-W013656 [0,0,0,1,1,0|1,0,0]=3 544 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [0,0,0,1,1,0|1,0,0]=3 545 B8R1.3 CC1CCC(O)CC1 CS-0059254 [0,0,0,1,1,0|1,0,1]=4 546 B8R1.3 CC1CNC(=O)CO1 CS-0444103 [0,0,0,1,1,0|2,0,0]=4 547 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,0,0,1,1,0|2,0,0]=4 548 B8R1.3 C[C@@H]1CNC(=O)CO1 CS-0478990 [0,0,0,1,1,0|2,0,0]=4 549 B8R1.3 C[C@H]1CC[C@@H](O)CC1 CS-0180937 [0,0,0,1,1,0|1,0,1]=4 550 B8R1.3 C[C@H]1CC[C@H](O)CC1 CS-0180938 [0,0,0,1,1,0|1,0,1]=4 551 B8R1.3 C[C@H]1CNC(=O)CO1 CS-0478989 [0,0,0,1,1,0|2,0,0]=4 552 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,0,0,1,1,0|2,0,0]=4 553 B8R1.3 NC1CCC(=O)NC1 CS-0050676 [0,0,0,1,1,0|2,0,0]=4 554 B8R1.3 N[C@H]1CCC(=O)NC1 CS-0185259 [0,0,0,1,1,0|2,0,0]=4 555 B8R1.3 O=C1CCC(O)CC1 CS-D0911 [0,0,0,1,1,0|2,0,0]=4 556 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,0,0,1,1,0|2,0,0]=4 557 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,0,0,1,1,0|2,0,0]=4 558 B8R1.23 C=C1CC(C(=O)O)C1 CS-M1233 [0,0,0,1,1,0|0,0,2]=4 559 B8R1.23 CC1CC(C(=O)O)C1 CS-W006107 [0,0,0,1,1,0|0,0,0]=2 560 B8R1.23 CN1CC(C(=O)O)C1 CS-W004004 [0,0,0,1,1,0|1,0,0]=3 561 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 CS-0043980 [0,0,0,1,1,0|1,0,0]=3 562 B8R1.23 O=C(O)C1CC(Cl)C1 CS-0051401 [0,0,0,1,1,0|1,0,0]=3 563 B8R1.23 O=C(O)C1CC(F)C1 CS-0036337 [0,0,0,1,1,0|1,0,0]=3 564 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 CS-0179205 [0,0,0,1,1,0|1,0,0]=3 565 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 CS-W018750 [0,0,0,1,1,0|1,0,0]=3 566 B8R1.23 O=C1CC(C(=O)O)C1 CS-D1519 [0,0,0,1,1,0|1,0,1]=4 567 B8R1.23 [C@H]1(O)C[C@@H](C(=O)O)C1 CS-W005391 [0,0,0,1,1,0|1,0,0]=3 568 B8R1.51 CC1(C)CCC(=O)C1 CS-W018408 [0,0,0,1,1,0|1,0,0]=3 569 B8R1.51 CC1(C)CCC(=O)N1 CS-W022267 [0,0,0,1,1,0|1,0,0]=3 570 B8R1.51 CC1(C)CCC(=O)O1 CS-0061120 [0,0,0,1,1,0|0,0,0]=2 571 B8R1.51 CC1(C)CNC(=O)O1 CS-0139215 [0,0,0,1,1,0|1,0,0]=3 572 B8R1.51 CC1(C)COC(O)=N1 CS-W011238 [0,0,0,1,1,0|2,0,0]=4 573 B8R1.77 CC1(C)CC1C(=O)O CS-W005115 [0,0,0,1,1,0|0,0,0]=2 574 B8R1.77 CC1(C)C[C@@H]1C(N)=O CS-W013652 [0,0,0,1,1,0|1,0,0]=3 575 B8R1.77 O=C(O)C1CC1(F)F CS-B1034 [0,0,0,1,1,0|2,0,0]=4 576 B8R1.77 O=C(O)[C@@H]1CC1(F)F CS-0053586 [0,0,0,1,1,0|2,0,0]=4 577 B10R1.54 CC(C)CC1CNC(=O)C1 CS-0154054 [0,0,0,1,0,1|1,0,0]=3 578 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 CS-0096516 [0,0,0,1,0,1|1,0,0]=3 579 B10R1.54 CC(C)C[C@H]1COC(=O)N1 CS-0316426 [0,0,0,1,0,1|1,0,0]=3 580 B10R1.54 O=C(O)CC1CCC(=O)C1 CS-0145408 [0,0,0,1,0,1|1,0,1]=4 581 B10R1.82 O=C(O)CCC1CC(=O)C1 CS-0051756 [0,0,0,1,0,1|1,0,1]=4 582 B10R1.113 CC(=O)N1CCCC(N)C1 CS-0626185 [0,0,0,1,0,1|2,0,0]=4 583 B10R1.113 CC(=O)N1CCC[C@@H](N)C1 CS-0628546 [0,0,0,1,0,1|2,0,0]=4 584 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 CS-0186148 [0,0,0,1,0,1|2,0,0]=4 585 B10R1.113 CC(C)C1CC(=O)CCO1 CS-0464877 [0,0,0,1,0,1|1,0,0]=3 586 B10R1.113 CC(C)[C@H]1COCC(=O)N1 CS-0093792 [0,0,0,1,0,1|1,0,0]=3 587 B10R1.113 CC1CCCC(C(=O)O)C1 CS-0204578 [0,0,0,1,0,1|0,0,0]=2 588 B10R1.113 CC1CCCC(C(=O)O)N1 CS-0039203 [0,0,0,1,0,1|1,0,0]=3 589 B10R1.113 CN1CCC=C(C(=O)O)C1 CS-0119431 [0,0,0,1,0,1|1,0,1]=4 590 B10R1.113 CN1CCCC(C(=O)O)C1 CS-0052422 [0,0,0,1,0,1|1,0,0]=3 591 B10R1.113 CN1CCOC(C(=O)O)C1 CS-0151064 [0,0,0,1,0,1|1,0,0]=3 592 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W016417 [0,0,0,1,0,1|1,0,0]=3 593 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W022616 [0,0,0,1,0,1|1,0,0]=3 594 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 CS-0049713 [0,0,0,1,0,1|1,0,0]=3 595 B10R1.113 O=C(O)C1CCCC(O)C1 CS-0155422 [0,0,0,1,0,1|1,0,0]=3 596 B10R1.113 O=C1CC(C(=O)O)CCN1 CS-W006096 [0,0,0,1,0,1|1,0,1]=4 597 B10R1.113 O=C1CCCC(C(=O)O)C1 CS-0044016 [0,0,0,1,0,1|1,0,1]=4 598 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O CS-0341689 [0,0,0,1,0,1|0,0,0]=2 599 B10R1.128 CC1(C)CNC[C@H]1C(=O)O CS-0187896 [0,0,0,1,0,1|0,0,0]=2 600 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O CS-W020707 [0,0,0,1,0,1|1,0,0]=3 601 B10R1.13 CC(=O)C1CCN(C)CC1 CS-0042169 [0,1,0,1,0,0|2,0,0]=4 602 B10R1.13 CC(C)C1CCC(=O)CC1 CS-W011030 [0,1,0,1,0,0|1,0,0]=3 603 B10R1.13 CC(C)N1CCC(=O)CC1 CS-0028222 [0,1,0,1,0,0|2,0,0]=4 604 B10R1.13 CC1=CCC(C(=O)O)CC1 CS-0152877 [0,1,0,1,0,0|0,0,1]=3 605 B10R1.13 CC1CCC(C(=O)O)CC1 CS-0096911 [0,1,0,1,0,0|0,0,0]=2 606 B10R1.13 CC1COC(C(=O)O)CN1 CS-0163346 [0,1,0,1,0,0|1,0,0]=3 607 B10R1.13 CN(C)C1CCC(=O)CC1 CS-W003582 [0,1,0,1,0,0|2,0,0]=4 608 B10R1.13 CN1CCC(C(=O)O)CC1 CS-W003320 [0,1,0,1,0,0|1,0,0]=3 609 B10R1.13 CN1CCC(C(=O)O)CC1 CS-W004085 [0,1,0,1,0,0|1,0,0]=3 610 B10R1.13 CN1CCC(C(N)=O)CC1 CS-0037921 [0,1,0,1,0,0|2,0,0]=4 611 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 CS-0035994 [0,1,0,1,0,0|0,0,0]=2 612 B10R1.13 NC1CCC(C(=O)O)CC1 CS-W016414 [0,1,0,1,0,0|1,0,0]=3 613 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 CS-0017964 [0,1,0,1,0,0|1,0,0]=3 614 B10R1.13 O=C(O)C1CCC(O)CC1 CS-W016391 [0,1,0,1,0,0|1,0,0]=3 615 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 CS-0054782 [0,1,0,1,0,0|1,0,0]=3 616 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 CS-W007250 [0,1,0,1,0,0|1,0,0]=3 617 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 CS-0049675 [0,1,0,1,0,0|1,0,0]=3 618 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 CS-M0763 [0,1,0,1,0,0|1,0,0]=3 619 B10R1.13 O=C1CCC(C(=O)O)CC1 CS-W004786 [0,1,0,1,0,0|1,0,1]=4 620 B10R1.13 O=C1CCC(C(=O)O)CN1 CS-0050149 [0,1,0,1,0,0|1,0,1]=4 621 B10R1.13 O=C1CCC(C(=O)O)NC1 CS-M3492 [0,1,0,1,0,0|1,0,1]=4 622 B10R1.13 [C@H]1(N)CC[C@@H](C(=O)O)CC1 CS-W005514 [0,1,0,1,0,0|1,0,0]=3 623 B10R1.13 [C@H]1(N)CC[C@H](C(=O)O)CC1 CS-W008392 [0,1,0,1,0,0|1,0,0]=3 624 B10R1.14 COC(=O)C1CCC(=O)C1 CS-W019720 [0,1,0,1,0,0|1,0,1]=4 625 B10R1.14 COC(=O)C1CCC(=O)O1 CS-0435430 [0,1,0,1,0,0|1,0,1]=4 626 B10R1.14 COC(=O)C1CCC(N)C1 CS-W006920 [0,1,0,1,0,0|1,0,0]=3 627 B10R1.14 COC(=O)C1CCC(O)C1 CS-0150733 [0,1,0,1,0,0|1,0,0]=3 628 B10R1.14 COC(=O)C1CCN(C)C1 CS-0151107 [0,1,0,1,0,0|1,0,0]=3 629 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 CS-0049313 [0,1,0,1,0,0|1,0,1]=4 630 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 CS-0336442 [0,1,0,1,0,0|1,0,1]=4 631 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 CS-0048878 [0,1,0,1,0,0|1,0,0]=3 632 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 CS-0049309 [0,1,0,1,0,0|1,0,0]=3 633 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 CS-0049307 [0,1,0,1,0,0|1,0,0]=3 634 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 CS-0159612 [0,1,0,1,0,0|1,0,0]=3 635 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 CS-0112554 [0,1,0,1,0,0|2,0,0]=4 636 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 CS-M0623 [0,1,0,1,0,0|2,0,0]=4 637 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 CS-0049284 [0,1,0,1,0,0|2,0,0]=4 638 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 CS-W017145 [0,1,0,1,0,0|2,0,0]=4 639 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 CS-0042523 [0,1,0,1,0,0|1,0,0]=3 640 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 CS-0058623 [0,1,0,1,0,0|1,0,0]=3 641 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 CS-0049291 [0,1,0,1,0,0|2,0,0]=4 642 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 CS-M0680 [0,1,0,1,0,0|2,0,0]=4 643 B10R1.14 COC(=O)[C@H]1C[C@H](F)CN1 CS-0112546 [0,1,0,1,0,0|2,0,0]=4 644 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 CS-W006629 [0,1,0,1,0,0|2,0,0]=4 645 B10R1.150 COC(=O)CC1CC(=O)C1 CS-W006735 [0,1,0,1,0,0|1,0,1]=4 646 B10R1.150 COC(=O)CC1CC(O)C1 CS-0049208 [0,1,0,1,0,0|1,0,0]=3 647 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O CS-0044233 [0,1,0,1,0,0|1,0,1]=4 648 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O CS-0030793 [0,1,0,1,0,0|1,0,1]=4 649 B10R1.194 CN1CCC(C(=O)O)C1=O CS-0096284 [0,1,0,1,0,0|1,0,1]=4 650 B10R1.408 COC(=O)C1CC1C(=O)O CS-0047564 [0,1,0,1,0,0|1,0,1]=4 651 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O CS-0053578 [0,1,0,1,0,0|1,0,1]=4 652 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O CS-B1755 [0,1,0,1,0,0|1,0,1]=4 653 B10R1.349 CC(C)N1CC(C(=O)O)C1 CS-0154197 [0,1,0,1,0,0|1,0,0]=3 654 B10R1.359 CC1(C)NC(C(=O)O)CS1 CS-0279311 [0,1,0,1,0,0|1,0,0]=3 655 B10R1.359 CC1(C)N[C@@H](C(=O)O)CS1 CS-0616015 [0,1,0,1,0,0|1,0,0]=3 656 B10R1.359 CC1(C)N[C@H](C(=O)O)CS1 CS-0201566 [0,1,0,1,0,0|1,0,0]=3 657 B10R1.359 CC1(C)N[C@H](C(=O)O)CS1 CS-0616217 [0,1,0,1,0,0|1,0,0]=3 658 B10R1.359 CC1(C)OCC(C(=O)O)O1 CS-0042636 [0,1,0,1,0,0|1,0,0]=3 659 B10R1.359 CC1(C)OC[C@@H](C(=O)O)O1 CS-0099094 [0,1,0,1,0,0|1,0,0]=3 660 B10R1.359 O=C(O)C1CCC(F)(F)C1 CS-W001377 [0,1,0,1,0,0|1,0,0]=3 661 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 CS-0054753 [0,1,0,1,0,0|2,0,0]=4 662 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 CS-W021174 [0,1,0,1,0,0|2,0,0]=4 663 B10R1.359 O=C(O)[C@H]1CC(F)(F)CN1 CS-0053485 [0,1,0,1,0,0|2,0,0]=4 664 B10R1.470 CN1CCC(C)(C(=O)O)C1 CS-0172046 [0,1,0,1,0,0|1,0,0]=3 665 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O CS-0151198 [0,1,0,1,0,0|2,0,0]=4 666 B10R1.329 CC1(C)CC(=O)CC(=O)C1 CS-W016456 [0,1,0,1,0,0|1,0,1]=4 667 B10R1.329 CC1(C)CC(=O)CC(=O)N1 CS-W004228 [0,1,0,1,0,0|1,0,1]=4 668 B10R1.329 CC1(C)OC(=O)CC(=O)O1 CS-D1154 [0,1,0,1,0,0|1,0,1]=4 669 B10R1.329 CC1CC(O)CC(C)(C)C1 CS-0152689 [0,1,0,1,0,0|1,0,1]=4 670 B10R1.371 O=C(O)CC1CC(F)(F)C1 CS-0052295 [0,1,0,1,0,0|1,0,0]=3 671 B10R1.55 CC(C)(C)[C@@H]1COC(=O)N1 CS-0097463 [0,1,0,1,0,0|2,0,0]=4 672 B10R1.55 CC(C)(C)[C@H]1COC(=O)N1 CS-0097462 [0,1,0,1,0,0|2,0,0]=4 673 B10R2.14 O=C1CC(C2CC2)CN1 CS-0006071 [0,0,0,2,0,0|2,0,0]=4 674 B10R2.178 O=C1CCC2CCC1N2 CS-0049978 [0,0,0,2,0,0|2,0,0]=4 675 B10R2.355 O=C(O)C1NCC2CC21 CS-0051525 [0,0,0,2,0,0|1,0,0]=3 676 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 CS-0186033 [0,0,0,2,0,0|2,0,0]=4 677 B10R2.365 O=C(O)CC12CC(C1)C2 CS-0049789 [0,0,0,2,0,0|0,0,0]=2 678 B10R2.534 O=C1CCCC2(CC2)C1 CS-0048695 [0,0,0,2,0,0|1,0,0]=3 679 B10R2.534 OC1=NC2(CCC1)CC2 CS-0044076 [0,0,0,2,0,0|1,0,0]=3 680 B6R0.2 CC(=O)CN(C)C CS-0204530 [0,0,0,0,2,0|2,0,0]=4 681 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [0,0,0,0,2,0|2,0,0]=4 682 B6R0.2 CC(=O)NC(C)C CS-M3536 [0,0,0,0,2,0|2,0,0]=4 683 B6R0.2 CC(C)=CC(=O)O CS-W011327 [0,0,0,0,2,0|0,0,2]=4 684 B6R0.2 CC(C)CB(O)O CS-W000978 [0,0,0,0,2,0|1,0,1]=4 685 B6R0.2 CC(C)CC(=O)O CS-0881782 [0,0,0,0,2,0|0,0,0]=2 686 B6R0.2 CC(C)CC(=O)O CS-W013696 [0,0,0,0,2,0|0,0,0]=2 687 B6R0.2 CC(C)CC(N)=S CS-0642935 [0,0,0,0,2,0|1,1,0]=4 688 B6R0.2 CC(C)C[C@H](C)O CS-0237477 [0,0,0,0,2,0|1,0,1]=4 689 B6R0.2 CC(C)NC(N)=O CS-0162822 [0,0,0,0,2,0|2,0,0]=4 690 B6R0.2 CC(C)OC(N)=O CS-0119929 [0,0,0,0,2,0|2,0,0]=4 691 B6R0.2 CC(N)CC(=O)O CS-W009549 [0,0,0,0,2,0|1,0,0]=3 692 B6R0.2 CC(O)CC(=O)O CS-0062335 [0,0,0,0,2,0|1,0,0]=3 693 B6R0.2 CC(O)CC(N)=O CS-0435186 [0,0,0,0,2,0|2,0,0]=4 694 B6R0.2 CN(C)CC(=O)O CS-D1391 [0,0,0,0,2,0|1,0,0]=3 695 B6R0.2 CN(C)CC(=O)O CS-W001158 [0,0,0,0,2,0|1,0,0]=3 696 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [0,0,0,0,2,0|1,0,0]=3 697 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [0,0,0,0,2,0|1,0,0]=3 698 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [0,0,0,0,2,0|1,0,0]=3 699 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [0,0,0,0,2,0|1,0,0]=3 700 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [0,0,0,0,2,0|1,0,0]=3 701 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [0,0,0,0,2,0|1,0,0]=3 702 B10R0.97 CC(=O)CCCCCC(=O)O CS-0046839 [0,0,0,0,0,2|1,0,1]=4