0 B8R0.5 CC(C)OC(=O)CC#N D97852 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.5 CC(C)OC(=O)OCCl D77787 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.5 CCOC(=O)C=C(C)C O11780 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.5 CCOC(=O)CC(=N)N AR2171 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.5 CCOC(=O)CC(=O)Cl S10339 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.5 CCOC(=O)CC(=O)O F20358 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.5 CCOC(=O)CC(=O)[O-] 28442 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.5 CCOC(=O)CC(N)=O 33127 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.5 CCOC(=O)CC(N)=S F20893 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.5 CCOC(=O)CN(C)C D78232 [0,0,0,0,0,0|1,0,0]=1 10 B8R0.5 CCOC(=O)C[C@H](C)Br 29510 [0,0,0,0,0,0|1,0,0]=1 11 B8R0.5 CCOC(=O)C[C@H](C)N A11039 [0,0,0,0,0,0|1,0,0]=1 12 B8R0.5 CCOC(=O)C[C@H](C)N AC9275 [0,0,0,0,0,0|1,0,0]=1 13 B8R0.5 CCOC(=O)C[C@H](C)O D70263 [0,0,0,0,0,0|1,0,0]=1 14 B8R0.5 CCOC(=O)C[C@H](C)O F16431 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.5 CCOC(=O)C[C@H](C)O SC1027 [0,0,0,0,0,0|1,0,0]=1 16 B8R0.5 CCOC(=O)C[N+](=O)[O-] 76581 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.5 CCOC(=O)NC(C)=O W18296 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.5 CCOC(=O)NC(N)=O FD10635 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.5 CCOC(=O)O[C@H](C)Cl AC7896 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.5 CCOC(=O)\C=C(\C)I AC5957 [0,0,0,0,0,0|1,0,2]=3 21 B8R0.5 CCOC(=O)\C=C(\C)N A11031 [0,0,0,0,0,0|1,0,2]=3 22 B8R0.5 CCOC(=O)\C=C(\C)N AB1419 [0,0,0,0,0,0|1,0,2]=3 23 B7R0.2 C=CC(=O)NC(C)C D70366 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.2 CC(C)C[C@H](N)CO 34445 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.2 CC(C)C[C@H](N)CO 39403 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.2 CC(C)C[C@H](N)CO A10467 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.2 CC(C)NC(=O)CCl AC1584 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.2 CC(C)OC(=O)CO 77517 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.2 CCC(=O)CC(C)=O 24687 [1,0,0,0,0,0|1,0,1]=3 30 B7R0.2 CCC(=O)CC(C)C D90471 [1,0,0,0,0,0|0,0,0]=1 31 B7R0.2 CCC(=O)OC(C)=O 27049 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.2 CCC(C)CC(C)N 40016 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.2 CCC(C)CC(C)N D88161 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.2 CN(C)CC(=O)NN 74122 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.2 COC(=O)C=C(C)C F11280 [1,0,0,0,0,0|0,0,2]=3 36 B7R0.2 COC(=O)CC(=O)Cl D78113 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.2 COC(=O)CC(=O)O 36101 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.2 COC(=O)CC(=O)[O-] 20517 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.2 COC(=O)CC(C)=O D70329 [1,0,0,0,0,0|1,0,1]=3 40 B7R0.2 COC(=O)CC(C)C 79108 [1,0,0,0,0,0|0,0,0]=1 41 B7R0.2 COC(=O)CC(N)=O 36581 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.2 COC(=O)CC(N)=S AC2409 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.2 COC(=O)CN(C)C H10578 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.2 COC(=O)C[C@H](C)Br O11908 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.2 COC(=O)C[C@H](C)N 75000 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.2 COC(=O)C[C@H](C)N 75001 [1,0,0,0,0,0|1,0,0]=2 47 B7R0.2 COC(=O)C[C@H](C)N F14792 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.2 COC(=O)C[C@H](C)O AC7720 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.2 COC(=O)C[C@H](C)O C14861 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.2 COC(=O)C[C@H](C)O F15447 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.2 COC(=O)C[N+](=O)[O-] 29521 [1,0,0,0,0,0|3,0,0]=4 52 B7R0.2 COC(=O)\C=C(/C)N 44431 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.2 COC(=O)\C=C(\C)N 28478 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.4 CC(C)CCCCO D94723 [1,0,0,0,0,0|2,0,1]=4 55 B7R0.4 CCCCC[C@H](C)N D90921 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.4 CCCCC[C@H](C)O D83253 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.4 CCCCOC(C)C D93400 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.7 C=CCC(=O)OCC 74919 [1,0,0,0,0,0|0,0,2]=3 59 B7R0.7 CC#CC(=O)OCC 33793 [1,0,0,0,0,0|0,0,2]=3 60 B7R0.7 CCCC(=O)OCCl F20378 [1,0,0,0,0,0|1,0,0]=2 61 B7R0.7 CCCC(N)CCC 28065 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.7 CCCC(O)CCC H10221 [1,0,0,0,0,0|1,0,2]=4 63 B7R0.7 CCCN(C)CCC D95729 [1,0,0,0,0,0|3,0,0]=4 64 B7R0.7 CCNC(=O)CC#N S10551 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.7 CCNC(=O)NCC F11262 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.7 CCOC(=O)CCBr F11254 [1,0,0,0,0,0|1,0,0]=2 67 B7R0.7 CCOC(=O)CCCl D89381 [1,0,0,0,0,0|1,0,0]=2 68 B7R0.7 CCOC(=O)CCI 23721 [1,0,0,0,0,0|1,0,0]=2 69 B7R0.7 CCOC(=O)CCN AC7506 [1,0,0,0,0,0|1,0,0]=2 70 B7R0.7 CCOC(=O)CCO 30936 [1,0,0,0,0,0|1,0,0]=2 71 B7R0.7 CCOC(=O)CCS D87716 [1,0,0,0,0,0|1,0,0]=2 72 B7R0.7 CCOC(=O)CNC 73271 [1,0,0,0,0,0|1,0,0]=2 73 B7R0.7 CCOC(=O)CNN 35068 [1,0,0,0,0,0|2,0,0]=3 74 B7R0.7 CCOC(=O)COC F11239 [1,0,0,0,0,0|1,0,0]=2 75 B7R0.7 CCOC(=O)CSC I10203 [1,0,0,0,0,0|1,0,0]=2 76 B7R0.7 CCOC(=O)OCC D97668 [1,0,0,0,0,0|1,0,0]=2 77 B7R0.7 CCOC(=O)OCCl 23781 [1,0,0,0,0,0|2,0,0]=3 78 B7R0.7 CCOC(=O)\C=C/Br T70763 [1,0,0,0,0,0|1,0,2]=4 79 B7R0.7 CCOC(=O)\C=C/I D81841 [1,0,0,0,0,0|1,0,2]=4 80 B7R0.7 CCOC(=O)\C=C\I 72163 [1,0,0,0,0,0|1,0,2]=4 81 B7R0.7 CCOC(=O)\C=C\[O-] P20682 [1,0,0,0,0,0|1,0,2]=4 82 B7R0.7 CCOP(Cl)OCC H10781 [1,0,0,0,0,0|3,0,0]=4 83 B7R0.7 CCO[PH](=O)OCC 28436 [1,0,0,0,0,0|2,0,0]=3 84 B7R0.7 O=C(CCCl)CCCl 35039 [1,0,0,0,0,0|3,0,0]=4 85 B7R0.7 [C-]#[N+]CC(=O)OCC 23174 [1,0,0,0,0,0|1,0,1]=3 86 B9R0.6 CCOC(=O)C(=O)C(C)C 76551 [0,1,0,0,0,0|0,0,1]=2 87 B9R0.6 CCOC(=O)[C@@H](Br)C(C)=O D97591 [0,1,0,0,0,0|1,0,1]=3 88 B9R0.6 CCOC(=O)[C@@H](Br)C(C)C 33249 [0,1,0,0,0,0|0,0,0]=1 89 B9R0.6 CCOC(=O)[C@@H](C)C(C)=O F11259 [0,1,0,0,0,0|1,0,1]=3 90 B9R0.6 CCOC(=O)[C@@H](Cl)C(C)=O D77847 [0,1,0,0,0,0|1,0,1]=3 91 B9R0.6 CCOC(=O)[C@@H](F)C(C)=O AT18756 [0,1,0,0,0,0|1,0,1]=3 92 B9R0.6 CCOC(=O)[C@@H](N)C(C)C D82384 [0,1,0,0,0,0|0,0,0]=1 93 B9R0.6 CCOC(=O)[C@@H](N)C(C)C F16291 [0,1,0,0,0,0|0,0,0]=1 94 B9R0.6 CCOC(=O)[C@@H](N)C(C)C I11507 [0,1,0,0,0,0|0,0,0]=1 95 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O AB10194 [0,1,0,0,0,0|1,0,0]=2 96 B9R0.6 CCOC(=O)[C@H](C)[N+](=O)[O-] D74922 [0,1,0,0,0,0|3,0,0]=4 97 B9R0.23 CON(C)C(=O)CC(C)C 71935 [0,1,0,0,0,0|2,0,0]=3 98 B9R0.34 CCCC(=O)CC(=O)OC F16755 [0,1,0,0,0,0|2,0,1]=4 99 B9R0.34 CCOC(=O)CC(=O)CBr 34205 [0,1,0,0,0,0|1,0,1]=3 100 B9R0.34 CCOC(=O)CC(=O)CC 28527 [0,1,0,0,0,0|1,0,1]=3 101 B9R0.34 CCOC(=O)CC(=O)CCl D77354 [0,1,0,0,0,0|1,0,1]=3 102 B9R0.34 CCOC(=O)CC(=O)NC F20489 [0,1,0,0,0,0|1,0,1]=3 103 B9R0.34 CCOC(=O)CC(=O)NN 76579 [0,1,0,0,0,0|2,0,1]=4 104 B9R0.34 CCOC(=O)C[C@H](O)CCl 23033 [0,1,0,0,0,0|1,0,0]=2 105 B9R0.34 CCOC(=O)C[C@H](O)CCl 23075 [0,1,0,0,0,0|1,0,0]=2 106 B9R0.34 CCOC(=O)\C=C(/C)C=O F16586 [0,1,0,0,0,0|0,0,3]=4 107 B9R0.34 CCOC(=O)\C=C(/C)NC AC7636 [0,1,0,0,0,0|0,0,2]=3 108 B9R0.44 CC(C)(C)NC(=O)CCN W11668 [0,1,0,0,0,0|3,0,0]=4 109 B9R0.44 CC(C)(C)OC(=O)CCBr AB6580 [0,1,0,0,0,0|3,0,0]=4 110 B9R0.44 CC(C)(C)OC(=O)CCN 34843 [0,1,0,0,0,0|3,0,0]=4 111 B9R0.44 CC(C)(C)OC(=O)CCN Y10345 [0,1,0,0,0,0|3,0,0]=4 112 B9R0.44 CCNC(=O)OC(C)(C)C AB10777 [0,1,0,0,0,0|2,0,0]=3 113 B9R0.44 CCOC(=O)CC(C)(C)N 23275 [0,1,0,0,0,0|0,0,0]=1 114 B9R0.44 CCOC(=O)CC(C)(C)N 72417 [0,1,0,0,0,0|0,0,0]=1 115 B9R0.44 CCOC(=O)CC(C)(F)F H10958 [0,1,0,0,0,0|1,0,0]=2 116 B9R0.44 CCOC(=O)CC(F)(F)F AC2307 [0,1,0,0,0,0|2,0,0]=3 117 B9R0.44 CCOC(=O)CS(C)(=O)=O 29349 [0,1,0,0,0,0|2,0,0]=3 118 B9R0.44 CCOC(=O)C[Si](C)(C)C 76521 [0,1,0,0,0,0|0,1,0]=2 119 B9R0.44 CNCC(=O)OC(C)(C)C 73300 [0,1,0,0,0,0|3,0,0]=4 120 B9R0.44 CNCC(=O)OC(C)(C)C D70805 [0,1,0,0,0,0|3,0,0]=4 121 B9R0.53 CC(=O)CC(=O)CC(C)C D91362 [0,1,0,0,0,0|1,0,1]=3 122 B9R0.53 CC(=O)CC(=O)OC(C)C 43946 [0,1,0,0,0,0|1,0,1]=3 123 B9R0.53 CC(C)NC(=O)NC(C)C D93441 [0,1,0,0,0,0|2,0,0]=3 124 B9R0.53 CC(C)NC(=S)NC(C)C AC1270 [0,1,0,0,0,0|2,1,0]=4 125 B9R0.53 CC(C)OC(=O)O[C@H](C)Cl D70996 [0,1,0,0,0,0|1,0,0]=2 126 B9R0.53 CC(C)OP(O)OC(C)C D70881 [0,1,0,0,0,0|2,0,1]=4 127 B9R0.53 CC(C)OS(=O)OC(C)C D90142 [0,1,0,0,0,0|2,0,0]=3 128 B9R0.53 C\C(N)=C\C(=O)OC(C)C 43947 [0,1,0,0,0,0|1,0,2]=4 129 B9R1.13 CC(C)C[C@H]1CCCN1 AR1079 [0,0,0,1,0,0|2,0,1]=4 130 B9R1.34 CC1CC(=O)CC(=O)C1 76314 [0,0,0,1,0,0|2,0,1]=4 131 B9R1.34 CC1CC(=O)CC(C)C1 D89827 [0,0,0,1,0,0|1,0,0]=2 132 B9R1.34 CC1CC(=O)OC(=O)C1 D79206 [0,0,0,1,0,0|1,0,1]=3 133 B9R1.34 CC1CC(C)CC(O)C1 D89705 [0,0,0,1,0,0|1,0,2]=4 134 B9R1.34 CN1CC(=O)OC(=O)C1 D93073 [0,0,0,1,0,0|2,0,1]=4 135 B9R1.38 CC1(C)CC(=O)OC1=O O10903 [0,0,0,1,0,0|1,0,1]=3 136 B9R1.41 CC(=O)[C@@H]1CCOC1=O S12358 [0,0,0,1,0,0|1,0,1]=3 137 B9R1.48 O=C1CCCCC(=O)C1 35108 [0,0,0,1,0,0|2,0,1]=4 138 B9R1.66 CC1(C)CC(=O)CCN1 90148 [0,0,0,1,0,0|2,0,0]=3 139 B9R1.66 CC1(C)CC(=O)CCO1 58123 [0,0,0,1,0,0|2,0,0]=3 140 B9R1.66 CC1(C)CCCC(=O)C1 F14897 [0,0,0,1,0,0|1,0,0]=2 141 B9R1.66 CC1(C)COCC(=O)N1 AC2025 [0,0,0,1,0,0|3,0,0]=4 142 B9R1.66 C[C@]1(O)CCOC(=O)C1 C76125 [0,0,0,1,0,0|1,0,0]=2 143 B9R1.75 CCOC(=O)C=C1CC1 95464 [0,0,0,1,0,0|0,0,2]=3 144 B9R1.75 CCOC(=O)CC1CC1 F51522 [0,0,0,1,0,0|0,0,0]=1 145 B9R1.137 CC(=O)CC(=O)C1CC1 O10401 [0,0,0,1,0,0|2,0,1]=4 146 B9R1.183 CCOC(=O)[C@@H]1C[C@@H]1F CS3357 [0,0,0,1,0,0|1,0,0]=2 147 B7R0.5 C=C(Br)C(=O)OCC AB9222 [0,0,0,0,1,0|1,0,2]=4 148 B7R0.5 CC(C)C(=O)CC#N 28992 [0,0,0,0,1,0|2,0,1]=4 149 B7R0.5 CC(C)C(=O)OCBr D94295 [0,0,0,0,1,0|1,0,0]=2 150 B7R0.5 CC(C)C(=O)OCCl P11842 [0,0,0,0,1,0|1,0,0]=2 151 B7R0.5 CCCC(=O)C(C)C D91358 [0,0,0,0,1,0|1,0,0]=2 152 B7R0.5 CCOC(=O)C(=O)O C75898 [0,0,0,0,1,0|2,0,1]=4 153 B7R0.5 CCOC(=O)C(=O)[O-] D90598 [0,0,0,0,1,0|2,0,1]=4 154 B7R0.5 CCOC(=O)C(C)=O D72526 [0,0,0,0,1,0|1,0,1]=3 155 B7R0.5 CCOC(=O)C(F)F FD2077 [0,0,0,0,1,0|2,0,0]=3 156 B7R0.5 CCOC(=O)C(N)=O C13633 [0,0,0,0,1,0|2,0,1]=4 157 B7R0.5 CCOC(=O)C(N)=S 35744 [0,0,0,0,1,0|2,0,1]=4 158 B7R0.5 CCOC(=O)N(C)C A10839 [0,0,0,0,1,0|1,0,0]=2 159 B7R0.5 CCOC(=O)[C@@H](F)Br 76577 [0,0,0,0,1,0|2,0,0]=3 160 B7R0.5 CCOC(=O)[C@@H](F)Cl 76578 [0,0,0,0,1,0|2,0,0]=3 161 B7R0.5 CCOC(=O)[C@H](C)Br D96513 [0,0,0,0,1,0|1,0,0]=2 162 B7R0.5 CCOC(=O)[C@H](C)F 28664 [0,0,0,0,1,0|1,0,0]=2 163 B7R0.5 CCOC(=O)[C@H](C)F AT11657 [0,0,0,0,1,0|1,0,0]=2 164 B7R0.5 CCOC(=O)[C@H](C)I D90599 [0,0,0,0,1,0|1,0,0]=2 165 B7R0.5 CCOC(=O)[C@H](C)N 75100 [0,0,0,0,1,0|1,0,0]=2 166 B7R0.5 CCOC(=O)[C@H](C)N FD21011 [0,0,0,0,1,0|1,0,0]=2 167 B7R0.5 CCOC(=O)[C@H](C)N FD21071 [0,0,0,0,1,0|1,0,0]=2 168 B7R0.5 CCOC(=O)[C@H](C)O 35087 [0,0,0,0,1,0|1,0,0]=2 169 B7R0.5 CCOC(=O)[C@H](C)S D81899 [0,0,0,0,1,0|1,0,0]=2 170 B7R0.5 CNCC(=O)N(C)C C77998 [0,0,0,0,1,0|3,0,0]=4 171 B9R0.48 CCOC(=O)CCC(=O)Cl 75812 [0,0,0,0,0,1|2,0,1]=4 172 B9R0.48 CCOC(=O)CCC(=O)O O11227 [0,0,0,0,0,1|2,0,1]=4 173 B9R0.48 CCOC(=O)CCC(C)=O D77713 [0,0,0,0,0,1|1,0,1]=3 174 B9R0.48 CCOC(=O)CCC(C)C D81903 [0,0,0,0,0,1|0,0,0]=1 175 B9R0.48 CCOC(=O)CCC(N)=O 59592 [0,0,0,0,0,1|2,0,1]=4 176 B9R0.48 CCOC(=O)CNC(C)=O C10387 [0,0,0,0,0,1|1,0,1]=3 177 B9R0.48 CCOC(=O)\C=C\N(C)C D78277 [0,0,0,0,0,1|1,0,1]=3 178 B9R0.48 CCOC(=O)\C=C\N(C)C F20318 [0,0,0,0,0,1|1,0,1]=3 179 B6R0.1 C#CC(=O)OCC 35931 [2,0,0,0,0,0|0,0,2]=4 180 B6R0.1 C=CCC(=O)OC F15018 [2,0,0,0,0,0|0,0,2]=4 181 B6R0.1 CC#CC(=O)OC D73343 [2,0,0,0,0,0|0,0,2]=4 182 B6R0.1 CCC(=O)CC#N 28991 [2,0,0,0,0,0|1,0,1]=4 183 B6R0.1 CCCC(=O)CC D90801 [2,0,0,0,0,0|0,0,0]=2 184 B6R0.1 CCCC(=O)NN O11707 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.1 CCCC(=O)SC D91533 [2,0,0,0,0,0|0,1,0]=3 186 B6R0.1 CCC[C@@H](Cl)CC D76318 [2,0,0,0,0,0|1,0,1]=4 187 B6R0.1 CCOC(=N)CC W15737 [2,0,0,0,0,0|1,0,0]=3 188 B6R0.1 CCOC(=O)CN C93496 [2,0,0,0,0,0|1,0,0]=3 189 B6R0.1 CCOC(=O)CO 39380 [2,0,0,0,0,0|1,0,0]=3 190 B6R0.1 CCOC(=O)CS F21271 [2,0,0,0,0,0|1,0,0]=3 191 B6R0.1 CCOC(=O)NC D91332 [2,0,0,0,0,0|1,0,0]=3 192 B6R0.1 CCOC(=O)NN D77690 [2,0,0,0,0,0|2,0,0]=4 193 B6R0.1 CCOC(=O)OC A11149 [2,0,0,0,0,0|1,0,0]=3 194 B6R0.1 CCO[C@@H](C)CC D88933 [2,0,0,0,0,0|1,0,1]=4 195 B6R0.1 CNCC(=O)NC 71568 [2,0,0,0,0,0|2,0,0]=4 196 B6R0.1 CNCC(=O)OC 73733 [2,0,0,0,0,0|1,0,0]=3 197 B6R0.1 COC(=O)CC#N D77797 [2,0,0,0,0,0|1,0,1]=4 198 B6R0.1 COC(=O)CCBr AB7483 [2,0,0,0,0,0|1,0,0]=3 199 B6R0.1 COC(=O)CCCl D95821 [2,0,0,0,0,0|1,0,0]=3 200 B6R0.1 COC(=O)CCN S12362 [2,0,0,0,0,0|1,0,0]=3 201 B6R0.1 COC(=O)CCO 29940 [2,0,0,0,0,0|1,0,0]=3 202 B6R0.1 COC(=O)CCS D70327 [2,0,0,0,0,0|1,0,0]=3 203 B6R0.1 COC(=O)CSC D87959 [2,0,0,0,0,0|1,0,0]=3 204 B6R0.1 CONC(=O)OC D81547 [2,0,0,0,0,0|2,0,0]=4 205 B6R0.1 C\C=C\C(=O)CC 74326 [2,0,0,0,0,0|0,0,2]=4 206 B6R0.1 [C-]#[N+]CC(=O)OC 29044 [2,0,0,0,0,0|1,0,1]=4 207 B6R0.2 CC(=O)NC(C)C N12028 [2,0,0,0,0,0|1,0,0]=3 208 B6R0.2 CC(=O)O[C@H](C)Br 39292 [2,0,0,0,0,0|2,0,0]=4 209 B6R0.2 CC(C)=CC(=O)O D78089 [2,0,0,0,0,0|0,0,2]=4 210 B6R0.2 CC(C)CB(O)O 33194 [2,0,0,0,0,0|1,0,1]=4 211 B6R0.2 CC(C)CC(=O)O D78213 [2,0,0,0,0,0|0,0,0]=2 212 B6R0.2 CC(C)C[C@H](C)N 40017 [2,0,0,0,0,0|1,0,1]=4 213 B6R0.2 CC(C)OC(N)=O D81825 [2,0,0,0,0,0|2,0,0]=4 214 B6R0.2 CN(C)CC(=O)Cl A50815 [2,0,0,0,0,0|2,0,0]=4 215 B6R0.2 CN(C)CC(=O)O 28781 [2,0,0,0,0,0|1,0,0]=3 216 B6R0.2 CN(C)CC(=O)O 73674 [2,0,0,0,0,0|1,0,0]=3 217 B6R0.2 C[C@H](Cl)CC(=O)Cl AC1766 [2,0,0,0,0,0|2,0,0]=4 218 B6R0.2 C[C@H](Cl)CC(=O)O D89206 [2,0,0,0,0,0|1,0,0]=3 219 B6R0.2 C[C@H](N)CC(=O)O 62356 [2,0,0,0,0,0|1,0,0]=3 220 B6R0.2 C[C@H](N)CC(=O)O 62357 [2,0,0,0,0,0|1,0,0]=3 221 B6R0.2 C[C@H](N)CC(=O)O 62358 [2,0,0,0,0,0|1,0,0]=3 222 B6R0.2 C[C@H](N)CC(=O)O 62359 [2,0,0,0,0,0|1,0,0]=3 223 B6R0.2 C[C@H](N)CC(=O)O 62363 [2,0,0,0,0,0|1,0,0]=3 224 B6R0.2 C[C@H](O)CC(=O)O D84191 [2,0,0,0,0,0|1,0,0]=3 225 B6R0.2 C[C@H](O)CC(=O)O O10175 [2,0,0,0,0,0|1,0,0]=3 226 B6R0.2 C[C@H](O)CC(=O)[O-] 23392 [2,0,0,0,0,0|1,0,1]=4 227 B6R0.2 C[C@H](O)CC(=O)[O-] H10236 [2,0,0,0,0,0|1,0,1]=4 228 B6R0.4 CC(C)CCCBr O10389 [2,0,0,0,0,0|1,0,1]=4 229 B6R0.4 CC(C)CCCO F20439 [2,0,0,0,0,0|1,0,1]=4 230 B6R0.4 CCOCC(C)C D93520 [2,0,0,0,0,0|0,0,0]=2 231 B6R0.4 COCCN(C)C A11162 [2,0,0,0,0,0|1,0,1]=4 232 B6R0.6 CCCNCCC D89745 [2,0,0,0,0,0|2,0,0]=4 233 B6R0.6 CCC\C=C\CO D78301 [2,0,0,0,0,0|2,0,0]=4 234 B6R0.6 CCOCCCCl D95770 [2,0,0,0,0,0|1,0,1]=4 235 B6R0.6 CCOCCCO D95933 [2,0,0,0,0,0|1,0,1]=4 236 B6R0.6 CC\C=C/CCO 73722 [2,0,0,0,0,0|2,0,0]=4 237 B8R0.2 COC(=O)[C@@H](C)C(C)=O AB7549 [1,1,0,0,0,0|1,0,1]=4 238 B8R0.2 COC(=O)[C@@H](Cl)C(C)=O 29073 [1,1,0,0,0,0|1,0,1]=4 239 B8R0.2 COC(=O)[C@@H](N)C(C)C 28580 [1,1,0,0,0,0|0,0,0]=2 240 B8R0.2 COC(=O)[C@@H](N)C(C)C A11398 [1,1,0,0,0,0|0,0,0]=2 241 B8R0.2 COC(=O)[C@@H](N)C(C)C I10617 [1,1,0,0,0,0|0,0,0]=2 242 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O 73270 [1,1,0,0,0,0|1,0,0]=3 243 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O F11506 [1,1,0,0,0,0|1,0,0]=3 244 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O C76545 [1,1,0,0,0,0|1,0,0]=3 245 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O F14482 [1,1,0,0,0,0|1,0,0]=3 246 B8R0.16 CC[C@H](CO)CC(C)C A10715 [1,1,0,0,0,0|0,0,2]=4 247 B8R0.19 CCC(=O)CC(=O)CC O11824 [1,1,0,0,0,0|1,0,1]=4 248 B8R0.19 CCC(=O)CC(=O)OC AC7866 [1,1,0,0,0,0|1,0,1]=4 249 B8R0.19 CN\C(C)=C\C(=O)OC C12462 [1,1,0,0,0,0|0,0,2]=4 250 B8R0.19 COC(=O)CC(=O)CCl S12341 [1,1,0,0,0,0|1,0,1]=4 251 B8R0.19 COC(=O)CC(=O)OC D72530 [1,1,0,0,0,0|1,0,1]=4 252 B8R0.23 C=C(C)C(=O)NC(C)C A11002 [1,1,0,0,0,0|1,0,1]=4 253 B8R0.23 CC(=O)C(=O)CC(C)C D84272 [1,1,0,0,0,0|0,0,1]=3 254 B8R0.23 CC(=O)CC(=O)C(C)C 76315 [1,1,0,0,0,0|1,0,1]=4 255 B8R0.23 CC(C)CC(=O)C(=O)O D82408 [1,1,0,0,0,0|1,0,1]=4 256 B8R0.23 CC(C)CC(=O)C(=O)[O-] F10915 [1,1,0,0,0,0|1,0,1]=4 257 B8R0.23 CC(C)OC(=O)[C@H](C)N 34399 [1,1,0,0,0,0|1,0,0]=3 258 B8R0.23 CC(C)OC(=O)[C@H](C)N F20403 [1,1,0,0,0,0|1,0,0]=3 259 B8R0.24 CC(C)(C)NC(=O)CBr W18559 [1,1,0,0,0,0|2,0,0]=4 260 B8R0.24 CC(C)(C)NC(=O)CCl N11730 [1,1,0,0,0,0|2,0,0]=4 261 B8R0.24 CC(C)(C)OC(=O)CBr AB6559 [1,1,0,0,0,0|2,0,0]=4 262 B8R0.24 CC(C)(C)OC(=O)CI F19884 [1,1,0,0,0,0|2,0,0]=4 263 B8R0.24 CC(C)(C)OC(=O)CN 34510 [1,1,0,0,0,0|2,0,0]=4 264 B8R0.24 CC(C)(C)OC(=O)CN FD21585 [1,1,0,0,0,0|2,0,0]=4 265 B8R0.24 CC(C)(C)OC(=O)CO 26378 [1,1,0,0,0,0|2,0,0]=4 266 B8R0.24 CC(C)(C)OC(=O)CS 12914 [1,1,0,0,0,0|2,0,0]=4 267 B8R0.24 CCC(=O)OC(C)(C)C D89002 [1,1,0,0,0,0|1,0,0]=3 268 B8R0.24 CNC(=O)OC(C)(C)C 79474 [1,1,0,0,0,0|2,0,0]=4 269 B8R0.24 COC(=O)CC(C)(C)C D95626 [1,1,0,0,0,0|0,0,0]=2 270 B8R0.24 COC(=O)CS(C)(=O)=O AC8028 [1,1,0,0,0,0|2,0,0]=4 271 B8R0.7 CC(C)CCCCCO A10851 [1,1,0,0,0,0|1,0,1]=4 272 B8R0.9 CCC(=O)NCC(C)C AC2518 [1,1,0,0,0,0|2,0,0]=4 273 B8R0.28 CC(C)CNCC(C)C D89689 [1,1,0,0,0,0|2,0,0]=4 274 B8R0.1 C#CCCC(=O)OCC 90044 [1,1,0,0,0,0|0,0,1]=3 275 B8R0.1 C=CCCC(=O)OCC H10612 [1,1,0,0,0,0|0,0,1]=3 276 B8R0.1 CCC#CC(=O)OCC AB21618 [1,1,0,0,0,0|0,0,1]=3 277 B8R0.1 CCOC(=O)CCCBr F11167 [1,1,0,0,0,0|0,0,0]=2 278 B8R0.1 CCOC(=O)CCCI 74907 [1,1,0,0,0,0|0,0,0]=2 279 B8R0.1 CCOC(=O)CCCN 20516 [1,1,0,0,0,0|0,0,0]=2 280 B8R0.1 CCOC(=O)CCNC 30981 [1,1,0,0,0,0|0,0,0]=2 281 B8R0.1 CCOC(=O)CCOC D91424 [1,1,0,0,0,0|0,0,0]=2 282 B8R0.1 CCOC(=O)CCSC D90571 [1,1,0,0,0,0|0,0,0]=2 283 B8R0.1 CCOC(=O)CN=C=O AC9274 [1,1,0,0,0,0|1,0,1]=4 284 B8R0.1 CCOC(=O)CN=C=S D91182 [1,1,0,0,0,0|1,0,1]=4 285 B8R0.1 CCOC(=O)CNC=O FD21624 [1,1,0,0,0,0|1,0,1]=4 286 B8R0.1 CCOC(=O)NCCCl 61494 [1,1,0,0,0,0|1,0,0]=3 287 B8R0.1 CCOC(=O)\C=C\CBr 12202 [1,1,0,0,0,0|0,0,2]=4 288 B8R0.1 CCOCC(=O)OCC D81905 [1,1,0,0,0,0|0,0,0]=2 289 B8R0.3 C=C(CBr)C(=O)OCC 60939 [1,1,0,0,0,0|1,0,1]=4 290 B8R0.3 C=C(CO)C(=O)OCC 35200 [1,1,0,0,0,0|1,0,1]=4 291 B8R0.3 CCCC(=O)N(C)OC F19920 [1,1,0,0,0,0|2,0,0]=4 292 B8R0.3 CCOC(=O)C(=O)CBr 23027 [1,1,0,0,0,0|1,0,1]=4 293 B8R0.3 CCOC(=O)C(=O)CC RB3244 [1,1,0,0,0,0|0,0,1]=3 294 B8R0.3 CCOC(=O)C(=O)NC W11374 [1,1,0,0,0,0|1,0,1]=4 295 B8R0.3 CCOC(=O)[C@@H](Br)CBr AB2839 [1,1,0,0,0,0|1,0,0]=3 296 B8R0.3 CCOC(=O)[C@@H](Br)CC D70575 [1,1,0,0,0,0|0,0,0]=2 297 B8R0.3 CCOC(=O)[C@@H](C)C=O O11759 [1,1,0,0,0,0|1,0,1]=4 298 B8R0.3 CCOC(=O)[C@@H](Cl)C=O 52355 [1,1,0,0,0,0|1,0,1]=4 299 B8R0.3 CCOC(=O)[C@@H](N)CC 29271 [1,1,0,0,0,0|0,0,0]=2 300 B8R0.3 CCOC(=O)[C@@H](N)CC 90200 [1,1,0,0,0,0|0,0,0]=2 301 B8R0.3 CCOC(=O)[C@@H](N)CC D84487 [1,1,0,0,0,0|0,0,0]=2 302 B8R0.3 CCOC(=O)[C@@H](N)CO FD3048 [1,1,0,0,0,0|1,0,0]=3 303 B8R0.3 CCOC(=O)[C@@H](N)CO FD3050 [1,1,0,0,0,0|1,0,0]=3 304 B8R0.3 CCOC(=O)[C@@H](N)CO FD3052 [1,1,0,0,0,0|1,0,0]=3 305 B8R0.3 CCOC(=O)[C@@H](N)CS AT20237 [1,1,0,0,0,0|1,0,0]=3 306 B8R0.3 CCOC(=O)[C@@H](N)CS D70639 [1,1,0,0,0,0|1,0,0]=3 307 B8R0.3 CCOC(=O)[C@H](C)C#N 23129 [1,1,0,0,0,0|1,0,1]=4 308 B8R0.3 C\C=C(/C)C(=O)OCC D94746 [1,1,0,0,0,0|0,0,2]=4 309 B8R0.22 CCCN(C=O)CCC D70355 [1,1,0,0,0,0|2,0,0]=4 310 B8R0.22 CCCN(CCC)N=O D91709 [1,1,0,0,0,0|2,0,0]=4 311 B8R0.30 CCCS(=O)(=O)CCC D89800 [1,1,0,0,0,0|2,0,0]=4 312 B8R0.30 CCOP(=O)(O)OCC F15034 [1,1,0,0,0,0|2,0,0]=4 313 B8R0.30 CCOP(=O)([O-])OCC D90614 [1,1,0,0,0,0|2,0,0]=4 314 B8R0.30 CCOP(C)(=O)OCC D93192 [1,1,0,0,0,0|2,0,0]=4 315 B8R0.30 CCOP(N)(=O)OCC D90052 [1,1,0,0,0,0|2,0,0]=4 316 B8R0.14 CC(C)(C)C(=O)OCCl D77849 [0,1,0,0,1,0|1,0,0]=3 317 B8R0.14 CC(C)(C)C(=O)OCI F11433 [0,1,0,0,1,0|1,0,0]=3 318 B8R0.14 CCOC(=O)C(C)(C)F 88179 [0,1,0,0,1,0|0,0,0]=2 319 B8R0.14 CCOC(=O)C(C)(C)N 20759 [0,1,0,0,1,0|0,0,0]=2 320 B8R0.14 CCOC(=O)C(C)(C)O D90826 [0,1,0,0,1,0|0,0,0]=2 321 B8R0.14 CCOC(=O)C(C)(F)F 87330 [0,1,0,0,1,0|1,0,0]=3 322 B8R0.14 CCOC(=O)C(Cl)(Cl)Cl P16690 [0,1,0,0,1,0|2,0,0]=4 323 B8R0.14 CCOC(=O)C(F)(Br)Br AT21588 [0,1,0,0,1,0|2,0,0]=4 324 B8R0.14 CCOC(=O)C(F)(F)Br 36309 [0,1,0,0,1,0|2,0,0]=4 325 B8R0.14 CCOC(=O)C(F)(F)Cl D78208 [0,1,0,0,1,0|2,0,0]=4 326 B8R0.14 CCOC(=O)C(F)(F)F 55785 [0,1,0,0,1,0|2,0,0]=4 327 B8R0.14 CCOC(=O)C(F)(F)I FD2095 [0,1,0,0,1,0|2,0,0]=4 328 B10R0.26 CCOC(=O)CC(=O)C(C)C O11797 [0,1,0,0,0,1|0,0,0]=2 329 B10R0.26 CCOC(=O)CC(=O)C(F)F FD2057 [0,1,0,0,0,1|2,0,0]=4 330 B10R0.32 CCOC(=O)C(=O)CC(C)=O F10311 [0,1,0,0,0,1|1,0,1]=4 331 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C 39402 [0,1,0,0,0,1|0,0,0]=2 332 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C 61990 [0,1,0,0,0,1|0,0,0]=2 333 B10R0.78 CCCCC(=O)OCC(C)C D95777 [0,1,0,0,0,1|1,0,0]=3 334 B10R0.78 CCCOC(=O)CCC(C)=O 43143 [0,1,0,0,0,1|1,0,1]=4 335 B10R0.96 CC(=O)CC(=O)OCC(C)C D88331 [0,1,0,0,0,1|1,0,1]=4 336 B10R0.108 CCOC(=O)CCC(=O)OC D93546 [0,1,0,0,0,1|1,0,1]=4 337 B10R0.108 CCOC(=O)COC(=O)CBr D94338 [0,1,0,0,0,1|1,0,1]=4 338 B10R0.109 CCOC(=O)CCC(C)(C)C AB7193 [0,1,0,0,0,1|0,0,0]=2 339 B10R0.109 CCOC(=O)CCC(F)(F)F F21312 [0,1,0,0,0,1|2,0,0]=4 340 B10R0.109 CCOC(=O)OCC(F)(F)F D93608 [0,1,0,0,0,1|2,0,0]=4 341 B10R0.6 CCCCCC(=O)OC(C)C D89305 [0,2,0,0,0,0|2,0,0]=4 342 B10R0.6 CCCOCC(=O)OC(C)C D81295 [0,2,0,0,0,0|1,0,0]=3 343 B10R0.6 COCCOC(=O)CC(C)=O 43944 [0,2,0,0,0,0|1,0,1]=4 344 B10R0.18 CCOCC(=O)CC(=O)OC D95601 [0,2,0,0,0,0|1,0,1]=4 345 B10R0.28 C=CCOC(=O)OC(C)(C)C AB1026 [0,2,0,0,0,0|1,0,1]=4 346 B10R0.28 CC(C)(C)OC(=O)CCCBr B57460 [0,2,0,0,0,0|2,0,0]=4 347 B10R0.28 CC(C)(C)OC(=O)CCCN 35753 [0,2,0,0,0,0|2,0,0]=4 348 B10R0.28 CC(C)(C)OC(=O)CCCO 56650 [0,2,0,0,0,0|2,0,0]=4 349 B10R0.28 CC(C)(C)OC(=O)NCCBr 54446 [0,2,0,0,0,0|2,0,0]=4 350 B10R0.28 CC(C)(C)OC(=O)NCCCl F10511 [0,2,0,0,0,0|2,0,0]=4 351 B10R0.28 CC(C)(C)OC(=O)NCCN 56286 [0,2,0,0,0,0|2,0,0]=4 352 B10R0.28 CC(C)(C)OC(=O)NCCN 66028 [0,2,0,0,0,0|2,0,0]=4 353 B10R0.28 CC(C)(C)OC(=O)NCCO AB3416 [0,2,0,0,0,0|2,0,0]=4 354 B10R0.28 CC(C)(C)OC(=O)NCCS 28080 [0,2,0,0,0,0|2,0,0]=4 355 B10R0.28 CCNNC(=O)OC(C)(C)C BL009810 [0,2,0,0,0,0|2,0,0]=4 356 B10R0.44 COC(=O)CC(=O)CC(C)C S11515 [0,2,0,0,0,0|1,0,1]=4 357 B10R0.35 CCOC(=O)C(=O)N(C)OC 32260 [0,2,0,0,0,0|1,0,1]=4 358 B10R0.35 CCOC(=O)C(=O)[C@@H](Br)CC F10248 [0,2,0,0,0,0|1,0,1]=4 359 B10R0.35 CCOC(=O)[C@@H](N)[C@@H](C)CC FD21806 [0,2,0,0,0,0|0,0,0]=2 360 B10R0.36 CCOC(=O)C(Cl)(Cl)C(C)=O D78296 [0,2,0,0,0,0|1,0,1]=4 361 B10R0.100 CCOC(=O)[C@@H](N)C(F)(F)F D95593 [0,2,0,0,0,0|2,0,0]=4 362 B10R0.100 CCOC(=O)[C@@H](O)C(F)(F)F D86103 [0,2,0,0,0,0|2,0,0]=4 363 B10R0.100 CCOC(=O)[C@H](C)S(C)(=O)=O 81174 [0,2,0,0,0,0|2,0,0]=4 364 B10R0.101 CCOC(=O)[C@@H](C#N)C(C)=O I10196 [0,2,0,0,0,0|1,0,1]=4 365 B10R0.101 CCOC(=O)[C@@H](C#N)C(C)C W12765 [0,2,0,0,0,0|0,0,0]=2 366 B10R0.101 CCOC(=O)[C@@H](CC)C(C)=O O11754 [0,2,0,0,0,0|1,0,1]=4 367 B10R0.70 CC(C)CN(C=O)CC(C)C D82484 [0,2,0,0,0,0|2,0,0]=4 368 B10R0.37 CCN(N)C(=O)OC(C)(C)C A10033 [0,2,0,0,0,0|2,0,0]=4 369 B10R0.37 CC[C@H](Br)C(=O)OC(C)(C)C D94782 [0,2,0,0,0,0|2,0,0]=4 370 B10R0.37 CC[C@H](N)C(=O)OC(C)(C)C 39396 [0,2,0,0,0,0|2,0,0]=4 371 B10R0.37 CC[C@H](N)C(=O)OC(C)(C)C C10588 [0,2,0,0,0,0|2,0,0]=4 372 B10R0.2 CCC[C@H](O)CC(=O)OCC D70264 [0,2,0,0,0,0|1,0,0]=3 373 B10R0.2 CCOC(=N)CC(=O)OCC 89099 [0,2,0,0,0,0|1,0,1]=4 374 B10R0.2 CCOC(=O)CC(=O)COC 74076 [0,2,0,0,0,0|1,0,1]=4 375 B10R0.2 CCOC(=O)CC(=O)OCC D78522 [0,2,0,0,0,0|1,0,1]=4 376 B10R0.2 CCOC(=O)C[C@@H](O)CCN 56047 [0,2,0,0,0,0|1,0,0]=3 377 B10R0.2 CCOC(=O)C[C@H](O)CC#N 28252 [0,2,0,0,0,0|1,0,0]=3 378 B10R0.2 CCOC(=O)C[C@H](O)CC#N 60923 [0,2,0,0,0,0|1,0,0]=3 379 B10R0.31 CC(=O)CC(=O)OC(C)(C)C D70417 [0,2,0,0,0,0|1,0,1]=4 380 B10R0.31 CN(N)CC(=O)OC(C)(C)C RB3105 [0,2,0,0,0,0|2,0,0]=4 381 B10R0.165 CC(C)OP(=O)(Cl)OC(C)C 76506 [0,2,0,0,0,0|2,0,0]=4 382 B10R0.165 CC(C)OS(=O)(=O)OC(C)C D75998 [0,2,0,0,0,0|2,0,0]=4 383 B8R1.4 CC1=CC(=O)CCC1 S10448 [1,0,0,1,0,0|0,0,2]=4 384 B8R1.4 CC1CCCC(N)C1 33432 [1,0,0,1,0,0|1,0,1]=4 385 B8R1.4 CN1CCCC(=O)C1 25967 [1,0,0,1,0,0|1,0,0]=3 386 B8R1.4 CN1CCNC(=O)C1 23552 [1,0,0,1,0,0|2,0,0]=4 387 B8R1.4 CN1CCOC(=O)C1 70849 [1,0,0,1,0,0|1,0,0]=3 388 B8R1.4 C[C@H]1CC(=O)CCN1 55931 [1,0,0,1,0,0|1,0,0]=3 389 B8R1.4 C[C@H]1CCCC(=O)C1 33413 [1,0,0,1,0,0|0,0,0]=2 390 B8R1.4 C[C@H]1CCCC(=O)N1 P10077 [1,0,0,1,0,0|1,0,0]=3 391 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [1,0,0,1,0,0|1,0,0]=3 392 B8R1.4 C[C@H]1COCC(=O)N1 88852 [1,0,0,1,0,0|2,0,0]=4 393 B8R1.4 C[C@H]1COCC(=O)N1 88853 [1,0,0,1,0,0|2,0,0]=4 394 B8R1.4 N[C@H]1CCNC(=O)C1 28187 [1,0,0,1,0,0|2,0,0]=4 395 B8R1.4 N[C@H]1CCNC(=O)C1 62308 [1,0,0,1,0,0|2,0,0]=4 396 B8R1.4 O=C1CCCC(=O)C1 70018 [1,0,0,1,0,0|1,0,1]=4 397 B8R1.4 O=C1C[C@@H](O)CCN1 68726 [1,0,0,1,0,0|2,0,0]=4 398 B8R1.40 NCC(=O)NC1CC1 AB1061 [1,0,0,1,0,0|2,0,0]=4 399 B8R1.40 O=C(CCl)NC1CC1 F19977 [1,0,0,1,0,0|2,0,0]=4 400 B8R1.51 CC1(C)CNC(=O)C1 30628 [1,0,0,1,0,0|1,0,0]=3 401 B8R1.7 CC(C)[C@@H]1CCCN1 AR1076 [1,0,0,1,0,0|2,0,0]=4 402 B8R1.22 C[C@H]1CCCNCC1 72644 [1,0,0,1,0,0|1,0,1]=4 403 B8R1.72 CC1(C)CCCNC1 52404 [1,0,0,1,0,0|2,0,0]=4 404 B8R1.72 CC1(C)CCNCC1 61353 [1,0,0,1,0,0|1,0,1]=4 405 B8R1.72 CC1(C)CCNCC1 AC8379 [1,0,0,1,0,0|1,0,1]=4 406 B8R1.72 CC1(N)CCOCC1 SC1105 [1,0,0,1,0,0|1,0,1]=4 407 B8R1.8 CCCC1=NCCN1 D92082 [1,0,0,1,0,0|2,0,0]=4 408 B8R1.11 CCN1CCCC1=O A10865 [1,0,0,1,0,0|1,0,0]=3 409 B8R1.11 CC[C@H]1CCCC1=O D83898 [1,0,0,1,0,0|1,0,0]=3 410 B8R1.37 CCOC(=N)C1CC1 AC2329 [1,0,0,1,0,0|1,0,0]=3 411 B8R1.37 CCOC(=O)C1CC1 FD10459 [1,0,0,1,0,0|0,0,0]=2 412 B8R1.37 CCOC(=O)[C@@H]1CO1 F30214 [1,0,0,1,0,0|1,0,0]=3 413 B8R1.5 CN1CCCNC1=O F13277 [0,0,0,1,1,0|2,0,0]=4 414 B8R1.5 C[C@@H]1NCCNC1=O 20377 [0,0,0,1,1,0|2,0,0]=4 415 B8R1.5 C[C@@H]1NCCNC1=O 20378 [0,0,0,1,1,0|2,0,0]=4 416 B8R1.5 C[C@@H]1NCCNC1=O F31149 [0,0,0,1,1,0|2,0,0]=4 417 B8R1.5 C[C@H]1CCCNC1=O P10093 [0,0,0,1,1,0|1,0,0]=3 418 B8R1.5 C[C@H]1CNCCC1=O 63757 [0,0,0,1,1,0|2,0,0]=4 419 B8R1.5 C[C@H]1CNCCC1=O 67436 [0,0,0,1,1,0|2,0,0]=4 420 B8R1.5 N[C@H]1CCCNC1=O 23329 [0,0,0,1,1,0|2,0,0]=4 421 B8R1.5 N[C@H]1CCCNC1=O 27952 [0,0,0,1,1,0|2,0,0]=4 422 B8R1.5 N[C@H]1CCCNC1=O 51547 [0,0,0,1,1,0|2,0,0]=4 423 B8R1.5 O=C1CCCC[C@@H]1Br 67635 [0,0,0,1,1,0|2,0,0]=4 424 B8R1.5 O=C1CCCC[C@@H]1Cl AC1582 [0,0,0,1,1,0|2,0,0]=4 425 B8R1.5 O=C1CCCC[C@@H]1F W17462 [0,0,0,1,1,0|2,0,0]=4 426 B10R1.59 CC(C)[C@@H]1NC(=O)OC1=O AC5719 [0,0,0,1,0,1|1,0,1]=4 427 B10R1.59 CC(C)[C@@H]1NC(=O)OC1=O AC5800 [0,0,0,1,0,1|1,0,1]=4 428 B10R1.63 CC1(C)CCC(=O)OC1=O D89834 [0,0,0,1,0,1|1,0,1]=4 429 B10R1.138 CCCC(=O)OC[C@H]1CO1 23071 [0,0,0,1,0,1|2,0,0]=4 430 B10R1.138 CCCC(=O)OC[C@H]1CO1 F20484 [0,0,0,1,0,1|2,0,0]=4 431 B10R1.138 CCOC(=O)CNC1CC1 20926 [0,0,0,1,0,1|0,0,0]=2 432 B10R1.140 CCOC(=O)C1CC(=O)C1 82567 [0,0,0,1,0,1|1,0,1]=4 433 B10R1.140 CCOC(=O)C1CC(O)C1 CS1377 [0,0,0,1,0,1|1,0,0]=3 434 B10R1.140 CCOC(=O)[C@H]1C[C@H](O)C1 38022 [0,0,0,1,0,1|1,0,0]=3 435 B10R1.54 CC(C)CC1OCC(C)O1 D91211 [0,1,0,1,0,0|0,0,2]=4 436 B10R1.61 CC(C)[C@@H]1NCCNC1=O 62860 [0,1,0,1,0,0|1,0,0]=3 437 B10R1.291 CC(=O)[C@]1(C)CCOC1=O S12383 [0,1,0,1,0,0|1,0,1]=4 438 B10R1.184 CON(C)C(=O)CC1CC1 91959 [0,1,0,1,0,0|2,0,0]=4 439 B10R1.135 CCOC(=O)C1CC1C=O C73848 [0,1,0,1,0,0|0,0,1]=3 440 B10R1.137 CCOC(=O)C=C1CCC1 RB3329 [0,1,0,1,0,0|0,0,2]=4 441 B10R1.137 CCOC(=O)C=C1COC1 CS1632 [0,1,0,1,0,0|0,0,2]=4 442 B10R1.137 CCOC(=O)CC1CCC1 83274 [0,1,0,1,0,0|0,0,0]=2 443 B10R1.65 CC(C)(C)N1CCCC1=O D92951 [0,1,0,1,0,0|2,0,0]=4 444 B10R1.65 CC(C)(C)N1CCNC1=O D92989 [0,1,0,1,0,0|2,0,0]=4 445 B10R1.65 C[Si](C)(C)N1CCOC1=O D92482 [0,1,0,1,0,0|1,1,0]=4 446 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 D72490 [0,1,0,1,0,0|1,0,1]=4 447 B10R1.329 CC1(C)CC(=O)C=C(N)C1 84127 [0,1,0,1,0,0|1,0,1]=4 448 B10R1.329 CC1(C)CC(=O)CC(=O)C1 D70508 [0,1,0,1,0,0|1,0,1]=4 449 B10R1.329 CC1(C)CC(=O)NC(=O)C1 P10020 [0,1,0,1,0,0|1,0,1]=4 450 B10R1.329 CC1(C)CC(=O)OC(=O)C1 F14671 [0,1,0,1,0,0|0,0,1]=3 451 B10R1.329 CC1=CC(=O)CC(C)(C)C1 D72515 [0,1,0,1,0,0|1,0,1]=4 452 B10R1.329 CC1=C[C@@H](O)CC(C)(C)C1 D94704 [0,1,0,1,0,0|2,0,0]=4 453 B10R1.329 C[C@@H]1CC(=O)CC(C)(C)C1 AT10301 [0,1,0,1,0,0|1,0,0]=3 454 B10R1.373 CC(C)(C)OC(=O)C1CC1 31504 [0,1,0,1,0,0|2,0,0]=4 455 B10R2.71 O=C1CC2CCC(C1)N2 34768 [0,0,0,2,0,0|2,0,0]=4 456 B10R2.71 O=C1CC2CCC(C1)O2 37775 [0,0,0,2,0,0|2,0,0]=4 457 B10R2.179 CC12CCCC(=O)C1O2 63324 [0,0,0,2,0,0|2,0,0]=4 458 B10R2.485 O=C(CC1CC1)C2CC2 P15895 [0,0,0,2,0,0|1,0,0]=3 459 B6R0.3 CC(C)C(=O)CBr 24581 [1,0,0,0,1,0|1,0,0]=3 460 B6R0.3 CC(C)C(=O)NN 71035 [1,0,0,0,1,0|2,0,0]=4 461 B6R0.3 CCC(=O)N(C)C A10841 [1,0,0,0,1,0|1,0,0]=3 462 B6R0.3 CCC(=O)[C@H](C)Br T71350 [1,0,0,0,1,0|1,0,0]=3 463 B6R0.3 CCC(=S)N(C)C D81484 [1,0,0,0,1,0|1,1,0]=4 464 B6R0.3 CN(C)C(=O)CBr 36126 [1,0,0,0,1,0|2,0,0]=4 465 B6R0.3 CN(C)C(=O)CCl 28569 [1,0,0,0,1,0|2,0,0]=4 466 B6R0.3 CN(C)C(=O)CN 24099 [1,0,0,0,1,0|2,0,0]=4 467 B6R0.3 CN(C)C(=O)CN S10593 [1,0,0,0,1,0|2,0,0]=4 468 B6R0.3 CN(C)C(=O)CO C77616 [1,0,0,0,1,0|2,0,0]=4 469 B6R0.3 COC(=O)C(F)F D91567 [1,0,0,0,1,0|2,0,0]=4 470 B6R0.3 COC(=O)[C@H](C)Cl 63239 [1,0,0,0,1,0|1,0,0]=3 471 B6R0.3 COC(=O)[C@H](C)Cl O10227 [1,0,0,0,1,0|1,0,0]=3 472 B6R0.3 COC(=O)[C@H](C)N AB10084 [1,0,0,0,1,0|1,0,0]=3 473 B6R0.3 COC(=O)[C@H](C)N AC7812 [1,0,0,0,1,0|1,0,0]=3 474 B6R0.3 COC(=O)[C@H](C)N FD21010 [1,0,0,0,1,0|1,0,0]=3 475 B6R0.3 COC(=O)[C@H](C)O C10549 [1,0,0,0,1,0|1,0,0]=3 476 B6R0.3 COC(=O)[C@H](C)O F11215 [1,0,0,0,1,0|1,0,0]=3 477 B10R0.3 CCOC(=O)CCCC(C)=O 95732 [0,0,0,0,0,2|1,0,1]=4