0 B8R0.6 C#CCCCC(=O)OC C90747 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.6 C=CC(=O)CCCCC D71008 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.6 C=CC(=O)NCCCC D82024 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.6 C=CCCCC(=O)OC H11902 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.6 C=C[C@@H](O)CCCCC D91822 [0,0,0,0,0,0|0,0,4]=4 5 B8R0.6 CCCCC[C@@H](O)CC D78240 [0,0,0,0,0,0|0,0,2]=2 6 B8R0.6 CCCCNC(=O)CC D88679 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.6 CCCCNC(=O)CCl 23765 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.6 CCCCOC(=O)CN F52077 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.6 CCCCOC(=O)CO D70201 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.6 CCC\C=C\C(=O)OC 28979 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.6 CCC\C=C\C(=O)OC AC7684 [0,0,0,0,0,0|1,0,2]=3 12 B8R0.6 CCNCCC(=O)OC 31591 [0,0,0,0,0,0|2,0,0]=2 13 B8R0.6 CC\C=C\CC(=O)OC D93382 [0,0,0,0,0,0|1,0,2]=3 14 B8R0.6 CNCCCC(=O)OC AB9747 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.6 COC(=O)CCCC#N 32622 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.6 COC(=O)CCCCBr 76669 [0,0,0,0,0,0|2,0,0]=2 17 B8R0.6 COC(=O)CCCCCl D75917 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.6 COC(=O)CCCCN 76218 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.6 COC(=O)COCCCl 39408 [0,0,0,0,0,0|3,0,0]=3 20 B8R0.6 COCCCC(=O)OC F14920 [0,0,0,0,0,0|2,0,0]=2 21 B8R0.6 NCCCC[C@H](N)CO F52525 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.6 OCCCC[C@H](O)CO 75130 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.1 BrCCCCCCBr D77996 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.1 CCCCCCCBr D78084 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.1 CCCCCCCI D70828 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.1 CCCCCCCS D90781 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.1 CCCCOCCCl D89363 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.1 CCCC\C=C\C=O 39424 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.1 CNCCCCNC 29857 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.1 ClCCCCCCBr AC1307 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.1 ClCCCCCCI O10399 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.1 ICCCCCCI D78160 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.1 NCCCCCCN H11757 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.1 NCCCCCCO 74060 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.1 OCCCCCCBr 34408 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.1 OCCCCCCCl D70146 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.1 OCCCCCCS N11988 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.1 SCCCCCCS D90840 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.3 CCCCC(=O)CC D90783 [1,0,0,0,0,0|0,0,0]=1 40 B7R0.3 CCCCC(=O)NN 74164 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.3 CCCC[C@H](Br)CBr D93164 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.3 CCCC[C@H](N)CO A11352 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.3 CCCC[C@H](N)CO N12322 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.3 CCCC[C@H](O)CO F11270 [1,0,0,0,0,0|1,0,2]=4 45 B7R0.3 CCCOC(=O)OC D83836 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.3 CC\C=C\C(=O)OC S12000 [1,0,0,0,0,0|1,0,2]=4 47 B7R0.3 CNCCC(=O)NC 30723 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.3 CNCCC(=O)OC 32388 [1,0,0,0,0,0|2,0,0]=3 49 B7R0.3 COC(=O)CCC#N 82641 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.3 COC(=O)CCC=O 63110 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.3 COC(=O)CCCBr S11981 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.3 COC(=O)CCCCl 28856 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.3 COC(=O)CCCN 64233 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.4 C#CCCCC(=O)O F14123 [1,0,0,0,0,0|1,0,2]=4 55 B7R0.4 C=CCCCC(=O)O D86337 [1,0,0,0,0,0|1,0,2]=4 56 B7R0.4 C=CCCOC(C)=O 74074 [1,0,0,0,0,0|1,0,2]=4 57 B7R0.4 CC(=O)CCCC#N D91224 [1,0,0,0,0,0|1,0,1]=3 58 B7R0.4 CC(=O)CCCCCl D89394 [1,0,0,0,0,0|1,0,0]=2 59 B7R0.4 CC(=O)OCCCCl 22019 [1,0,0,0,0,0|2,0,0]=3 60 B7R0.4 CC(=O)SCCCO D86667 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.4 CC(C)CCCCO D94723 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.4 CCCCCB(O)O 33673 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.4 CCCCCC(=O)[O-] D82015 [1,0,0,0,0,0|1,0,0]=2 64 B7R0.4 CCCCCC(N)=O D89187 [1,0,0,0,0,0|1,0,0]=2 65 B7R0.4 CCCCC[C@H](C)N D90921 [1,0,0,0,0,0|1,0,1]=3 66 B7R0.4 CCCCC[C@H](C)O D83253 [1,0,0,0,0,0|0,0,2]=3 67 B7R0.4 CCCCNC(N)=O D88864 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.4 CCCCNC(N)=S T70321 [1,0,0,0,0,0|2,1,0]=4 69 B7R0.4 CCCCOC(=S)[S-] D82014 [1,0,0,0,0,0|2,1,0]=4 70 B7R0.4 CCCCOC(C)C D93400 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.4 CCCCOC(N)=O D89279 [1,0,0,0,0,0|2,0,0]=3 72 B7R0.4 CCCCSC(C)=O 79049 [1,0,0,0,0,0|1,0,0]=2 73 B7R0.4 CCC\C=C\C(=O)O C10700 [1,0,0,0,0,0|1,0,2]=4 74 B7R0.4 CCC\C=C\C(C)=O F17581 [1,0,0,0,0,0|0,0,2]=3 75 B7R0.4 CC\C=C\CC(=O)O D82088 [1,0,0,0,0,0|1,0,2]=4 76 B7R0.4 CN(C)CCCCN 76925 [1,0,0,0,0,0|3,0,0]=4 77 B7R0.4 CNCCCC(=O)O 20515 [1,0,0,0,0,0|2,0,0]=3 78 B7R0.4 CNCCCC(=O)O AB7427 [1,0,0,0,0,0|2,0,0]=3 79 B7R0.4 CNCCCN(C)C D94649 [1,0,0,0,0,0|3,0,0]=4 80 B7R0.4 N#CCCCC(=O)O RB3314 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.4 NC(=O)COCCCl F15040 [1,0,0,0,0,0|3,0,0]=4 82 B7R0.4 NCCCCC(=O)O 76219 [1,0,0,0,0,0|2,0,0]=3 83 B7R0.4 NCCCCC(=O)O D78140 [1,0,0,0,0,0|2,0,0]=3 84 B7R0.4 NCCOCC(=O)O AT23391 [1,0,0,0,0,0|3,0,0]=4 85 B7R0.4 O=C(Cl)CCCCBr H11319 [1,0,0,0,0,0|2,0,0]=3 86 B7R0.4 O=C(Cl)CCCCCl D89459 [1,0,0,0,0,0|2,0,0]=3 87 B7R0.4 O=C(Cl)OCCCCl D89474 [1,0,0,0,0,0|3,0,0]=4 88 B7R0.4 O=C(O)CCCCBr 76255 [1,0,0,0,0,0|2,0,0]=3 89 B7R0.4 O=C(O)CCCCCl C10667 [1,0,0,0,0,0|2,0,0]=3 90 B7R0.4 O=C(O)CNCCO AB10154 [1,0,0,0,0,0|3,0,0]=4 91 B7R0.4 O=C(O)COCCCl 29961 [1,0,0,0,0,0|3,0,0]=4 92 B7R0.4 O=C([O-])CCCCO F13839 [1,0,0,0,0,0|2,0,0]=3 93 B9R0.1 C=C(C)CCCC(=O)OC C74671 [0,1,0,0,0,0|1,0,1]=3 94 B9R0.1 COC(=O)CCCC(=O)Cl S11980 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.1 COC(=O)CCCC(=O)O AC9189 [0,1,0,0,0,0|2,0,1]=4 96 B9R0.1 COC(=O)CCCC(C)=O AC8283 [0,1,0,0,0,0|1,0,1]=3 97 B9R0.1 COC(=O)CCC[N+](=O)[O-] W12509 [0,1,0,0,0,0|3,0,0]=4 98 B9R0.1 COC(=O)\C=C\CC(C)C W11675 [0,1,0,0,0,0|1,0,2]=4 99 B9R0.5 CCCCC[C@@H](C)CCC T71919 [0,1,0,0,0,0|1,0,1]=3 100 B9R0.5 CCCCNC(=O)CC#N D70031 [0,1,0,0,0,0|1,0,1]=3 101 B9R0.5 CCCNCC(=O)OCC 20892 [0,1,0,0,0,0|1,0,0]=2 102 B9R0.5 CCC\C=C\C(=O)OCC D90567 [0,1,0,0,0,0|0,0,2]=3 103 B9R0.5 CCOC(=O)CCCCBr 78992 [0,1,0,0,0,0|1,0,0]=2 104 B9R0.5 CCOC(=O)COCCCl 30785 [0,1,0,0,0,0|2,0,0]=3 105 B9R0.5 CCOC=CC(=O)OCC CL4510 [0,1,0,0,0,0|1,0,2]=4 106 B9R0.5 CCO\C=C\C(=O)OCC F11937 [0,1,0,0,0,0|1,0,2]=4 107 B9R0.8 CCCC[C@H](Br)C(=O)OC F20310 [0,1,0,0,0,0|1,0,0]=2 108 B9R0.8 CCCC[C@H](N)C(=O)OC 23107 [0,1,0,0,0,0|1,0,0]=2 109 B9R0.8 CCCC[C@H](N)C(=O)OC O10226 [0,1,0,0,0,0|1,0,0]=2 110 B9R0.8 COC(=O)[C@@H](Br)CCCBr O11857 [0,1,0,0,0,0|2,0,0]=3 111 B9R0.8 COC(=O)[C@@H](N)CCCN I10675 [0,1,0,0,0,0|2,0,0]=3 112 B9R0.8 COC(=O)[C@@H](N)CCSC F10799 [0,1,0,0,0,0|2,0,0]=3 113 B9R0.8 COC(=O)[C@@H](N)CCSC F10996 [0,1,0,0,0,0|2,0,0]=3 114 B9R0.24 CCC(=O)CCC(=O)OC D92982 [0,1,0,0,0,0|1,0,1]=3 115 B9R0.24 CCN(C)CCN(C)CC D93341 [0,1,0,0,0,0|3,0,0]=4 116 B9R0.24 CC[C@H](O)CC[C@@H](O)CC D94487 [0,1,0,0,0,0|0,0,2]=3 117 B9R0.24 COC(=O)CCC(=O)CN A11122 [0,1,0,0,0,0|2,0,1]=4 118 B9R0.24 O=C(CCl)NC[C@H](O)CO AB8869 [0,1,0,0,0,0|3,0,0]=4 119 B9R0.34 CCCC(=O)CC(=O)OC F16755 [0,1,0,0,0,0|1,0,1]=3 120 B9R0.34 CCOC(=O)CC(=O)CBr 34205 [0,1,0,0,0,0|2,0,1]=4 121 B9R0.34 CCOC(=O)CC(=O)CC 28527 [0,1,0,0,0,0|1,0,1]=3 122 B9R0.34 CCOC(=O)CC(=O)CCl D77354 [0,1,0,0,0,0|2,0,1]=4 123 B9R0.34 CCOC(=O)CC(=O)NC F20489 [0,1,0,0,0,0|2,0,1]=4 124 B9R0.34 COCC(=O)CC(=O)OC 76660 [0,1,0,0,0,0|2,0,1]=4 125 B9R0.46 CCCCCCC(=O)OC D90782 [0,1,0,0,0,0|1,0,0]=2 126 B9R0.46 CCCCCC[C@H](O)CO F21409 [0,1,0,0,0,0|1,0,2]=4 127 B9R0.46 COC(=O)CCCCC=O C76096 [0,1,0,0,0,0|1,0,1]=3 128 B9R0.46 COC(=O)CCCCCBr AC7709 [0,1,0,0,0,0|1,0,0]=2 129 B9R0.46 COC(=O)CCCCCN 24451 [0,1,0,0,0,0|1,0,0]=2 130 B9R0.46 COC(=O)CCCCCO D97618 [0,1,0,0,0,0|1,0,0]=2 131 B9R0.47 C=C(C)C(=O)NCCCN 35820 [0,1,0,0,0,0|2,0,1]=4 132 B9R0.47 C=C(F)C(=O)OCCCC D83944 [0,1,0,0,0,0|1,0,2]=4 133 B9R0.47 CCCCOC(=O)[C@H](C)N 36325 [0,1,0,0,0,0|1,0,0]=2 134 B9R0.47 CCCCOC(=O)[C@H](C)O D70202 [0,1,0,0,0,0|1,0,0]=2 135 B9R0.50 CCCCCC(CO)CO 36757 [0,1,0,0,0,0|1,0,2]=4 136 B9R0.50 CCN(CC)CCCCN 76938 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.1 CC1CCC(CO)CC1 D91499 [0,0,0,1,0,0|2,0,1]=4 138 B9R1.1 CCC1CCC(=O)CC1 N10368 [0,0,0,1,0,0|0,0,0]=1 139 B9R1.1 CCC1CCC(O)CC1 D71246 [0,0,0,1,0,0|0,0,2]=3 140 B9R1.1 CCN1CCC(=O)CC1 77862 [0,0,0,1,0,0|1,0,0]=2 141 B9R1.1 CCN1CCC(O)CC1 24837 [0,0,0,1,0,0|1,0,2]=4 142 B9R1.1 CCN1CCN(C)CC1 D81391 [0,0,0,1,0,0|3,0,0]=4 143 B9R1.1 CN1CCC(CCl)CC1 30977 [0,0,0,1,0,0|3,0,0]=4 144 B9R1.1 CN1CCC(CN)CC1 64259 [0,0,0,1,0,0|3,0,0]=4 145 B9R1.1 CN1CCC(CO)CC1 33260 [0,0,0,1,0,0|3,0,0]=4 146 B9R1.1 CNC1CCC(O)CC1 AB3908 [0,0,0,1,0,0|1,0,2]=4 147 B9R1.1 CNC1CCN(C)CC1 23193 [0,0,0,1,0,0|3,0,0]=4 148 B9R1.1 CN[C@H]1CC[C@H](O)CC1 AB3909 [0,0,0,1,0,0|1,0,2]=4 149 B9R1.1 COC1CCC(=O)CC1 23774 [0,0,0,1,0,0|1,0,0]=2 150 B9R1.1 COC1CCC(C)CC1 D80701 [0,0,0,1,0,0|2,0,1]=4 151 B9R1.1 COC1CCC(N)CC1 76154 [0,0,0,1,0,0|2,0,1]=4 152 B9R1.1 COC1CCC(O)CC1 32564 [0,0,0,1,0,0|1,0,2]=4 153 B9R1.1 CO[C@H]1CC[C@H](N)CC1 S11821 [0,0,0,1,0,0|2,0,1]=4 154 B9R1.1 C[C@H]1CC[C@H](CO)CC1 73068 [0,0,0,1,0,0|2,0,1]=4 155 B9R1.1 N#CC1CCC(=O)CC1 80206 [0,0,0,1,0,0|1,0,1]=3 156 B9R1.1 N[C@H]1CC[C@H](CO)CC1 66170 [0,0,0,1,0,0|2,0,1]=4 157 B9R1.1 N[C@H]1CC[C@H](CO)CC1 W16992 [0,0,0,1,0,0|2,0,1]=4 158 B9R1.1 O=C1CCC(CO)CC1 28378 [0,0,0,1,0,0|1,0,0]=2 159 B9R1.1 OCC1CCC(O)CC1 T72324 [0,0,0,1,0,0|1,0,2]=4 160 B9R1.2 CCN1CCC[C@H](O)C1 77860 [0,0,0,1,0,0|3,0,0]=4 161 B9R1.3 CC1C(=O)CCCC1=O F19547 [0,0,0,1,0,0|1,0,1]=3 162 B9R1.3 CC1CCCC(O)C1C C72857 [0,0,0,1,0,0|0,0,2]=3 163 B9R1.3 O=C1CCCC(=O)C1Br 93752 [0,0,0,1,0,0|2,0,1]=4 164 B9R1.5 CN1CCCCCC1=O F20350 [0,0,0,1,0,0|1,0,0]=2 165 B9R1.5 CN1CCNCCC1=O Y10627 [0,0,0,1,0,0|2,0,0]=3 166 B9R1.5 N[C@H]1CCCCNC1=O 36347 [0,0,0,1,0,0|2,0,0]=3 167 B9R1.5 N[C@H]1CCCCNC1=O 52018 [0,0,0,1,0,0|2,0,0]=3 168 B9R1.5 N[C@H]1CCCCNC1=O A56019 [0,0,0,1,0,0|2,0,0]=3 169 B9R1.5 N[C@H]1CCCCNC1=O A56021 [0,0,0,1,0,0|2,0,0]=3 170 B9R1.5 N[C@H]1CCCCNC1=O Y10023 [0,0,0,1,0,0|2,0,0]=3 171 B9R1.7 CCCC1=CC(=O)OC1 E70333 [0,0,0,1,0,0|1,0,2]=4 172 B9R1.7 CCC[C@@H]1CNC(=O)C1 W17994 [0,0,0,1,0,0|1,0,0]=2 173 B9R1.7 CCC[C@H]1CCC(=O)O1 D90888 [0,0,0,1,0,0|1,0,0]=2 174 B9R1.11 COC(=O)C1=CCCC1 23248 [0,0,0,1,0,0|1,0,2]=4 175 B9R1.11 COC(=O)C1CC=CC1 23138 [0,0,0,1,0,0|1,0,2]=4 176 B9R1.11 COC(=O)C1CCCC1 71026 [0,0,0,1,0,0|1,0,0]=2 177 B9R1.11 COC(=O)[C@@H]1CCCN1 35748 [0,0,0,1,0,0|2,0,0]=3 178 B9R1.11 COC(=O)[C@@H]1CCCN1 F10761 [0,0,0,1,0,0|2,0,0]=3 179 B9R1.11 COC(=O)[C@@H]1CCCN1 F10972 [0,0,0,1,0,0|2,0,0]=3 180 B9R1.11 COC(=O)[C@@H]1CCCO1 D94760 [0,0,0,1,0,0|2,0,0]=3 181 B9R1.11 COC(=O)[C@H]1CCNC1 30340 [0,0,0,1,0,0|2,0,0]=3 182 B9R1.11 COC(=O)[C@H]1CCNC1 63827 [0,0,0,1,0,0|2,0,0]=3 183 B9R1.11 COC(=O)[C@H]1CCNC1 63831 [0,0,0,1,0,0|2,0,0]=3 184 B9R1.11 COC(=O)[C@H]1CCOC1 37312 [0,0,0,1,0,0|2,0,0]=3 185 B9R1.11 O=C(CCl)N1CCCC1 71285 [0,0,0,1,0,0|2,0,0]=3 186 B9R1.49 CN1CCCC(=O)CC1 34283 [0,0,0,1,0,0|1,0,0]=2 187 B9R1.49 CN1CCC[C@H](O)CC1 63485 [0,0,0,1,0,0|1,0,2]=4 188 B9R1.49 CN1CCNC(=O)CC1 64338 [0,0,0,1,0,0|2,0,0]=3 189 B9R1.50 NC1CCCCCCC1 D89372 [0,0,0,1,0,0|1,0,1]=3 190 B9R1.50 O=C1CCCCCCC1 78195 [0,0,0,1,0,0|0,0,0]=1 191 B9R1.50 O=C1CCCCCCN1 35268 [0,0,0,1,0,0|1,0,0]=2 192 B9R1.50 O=C1CCCCCCO1 D94278 [0,0,0,1,0,0|1,0,0]=2 193 B9R1.50 OC1CCCCCCC1 D89280 [0,0,0,1,0,0|0,0,2]=3 194 B9R1.79 COC(=O)CC1CNC1 37323 [0,0,0,1,0,0|2,0,0]=3 195 B9R1.79 NCC(=O)NC1CCC1 AB1052 [0,0,0,1,0,0|2,0,0]=3 196 B9R1.89 CCN1CCCNCC1 72395 [0,0,0,1,0,0|3,0,0]=4 197 B9R1.89 CNC1CCCCCC1 D95799 [0,0,0,1,0,0|2,0,1]=4 198 B9R1.89 COC1=NCCCCC1 78135 [0,0,0,1,0,0|2,0,0]=3 199 B9R1.89 OCC1CCCCCC1 A11790 [0,0,0,1,0,0|2,0,1]=4 200 B9R1.89 ON=C1CCCCCC1 D89425 [0,0,0,1,0,0|3,0,0]=4 201 B9R1.118 CCC1(O)CCCCC1 I11478 [0,0,0,1,0,0|0,0,2]=3 202 B9R1.118 CCC1(O)CCNCC1 38113 [0,0,0,1,0,0|1,0,2]=4 203 B9R1.118 CCC1(O)CCNCC1 P11595 [0,0,0,1,0,0|1,0,2]=4 204 B9R1.118 CC[N+]1(C)CCOCC1 D90597 [0,0,0,1,0,0|3,0,0]=4 205 B9R1.132 CCC1=C(O)C(=O)CC1 D90570 [0,0,0,1,0,0|1,0,2]=4 206 B6R0.6 BrCCCCCBr D70772 [2,0,0,0,0,0|2,0,0]=4 207 B6R0.6 C=CCCCCBr F14895 [2,0,0,0,0,0|1,0,1]=4 208 B6R0.6 C=CCCCCCl N11935 [2,0,0,0,0,0|1,0,1]=4 209 B6R0.6 C=CCCCCO 35574 [2,0,0,0,0,0|1,0,1]=4 210 B6R0.6 CCCC=CC=O D78252 [2,0,0,0,0,0|0,0,2]=4 211 B6R0.6 CCCCCCI F20355 [2,0,0,0,0,0|1,0,0]=3 212 B6R0.6 CCCCCCN F19564 [2,0,0,0,0,0|1,0,0]=3 213 B6R0.6 CCCCCNC D91584 [2,0,0,0,0,0|1,0,0]=3 214 B6R0.6 CCCNCCC D89745 [2,0,0,0,0,0|1,0,0]=3 215 B6R0.6 CCCNCCO C10761 [2,0,0,0,0,0|2,0,0]=4 216 B6R0.6 CCCOCCCl H10822 [2,0,0,0,0,0|2,0,0]=4 217 B6R0.6 CCC\C=C\CO D78301 [2,0,0,0,0,0|1,0,1]=4 218 B6R0.6 CCNCCCN D82016 [2,0,0,0,0,0|2,0,0]=4 219 B6R0.6 CCNCCCO 31655 [2,0,0,0,0,0|2,0,0]=4 220 B6R0.6 CCNCCOC H11999 [2,0,0,0,0,0|2,0,0]=4 221 B6R0.6 CCOCCCCl D95770 [2,0,0,0,0,0|2,0,0]=4 222 B6R0.6 CCOCCCO D95933 [2,0,0,0,0,0|2,0,0]=4 223 B6R0.6 CC\C=C/CCO 73722 [2,0,0,0,0,0|1,0,1]=4 224 B6R0.6 CNCCCCO F10210 [2,0,0,0,0,0|2,0,0]=4 225 B6R0.6 COCCCCBr F13727 [2,0,0,0,0,0|2,0,0]=4 226 B6R0.6 COCCCCCl 28715 [2,0,0,0,0,0|2,0,0]=4 227 B6R0.6 COCCCCO D78159 [2,0,0,0,0,0|2,0,0]=4 228 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [2,0,0,0,0,0|2,0,0]=4 229 B6R0.6 ClCCCCCBr S10881 [2,0,0,0,0,0|2,0,0]=4 230 B6R0.6 ClCCCCCI A10955 [2,0,0,0,0,0|2,0,0]=4 231 B6R0.6 FCCCCCBr 24471 [2,0,0,0,0,0|2,0,0]=4 232 B6R0.6 ICCCCCI P10001 [2,0,0,0,0,0|2,0,0]=4 233 B6R0.6 NCCCCCN D83408 [2,0,0,0,0,0|2,0,0]=4 234 B6R0.6 NCCCCCO I11482 [2,0,0,0,0,0|2,0,0]=4 235 B6R0.6 O=CCCCCCl C10094 [2,0,0,0,0,0|1,0,0]=3 236 B6R0.6 O=CCCCCO F19841 [2,0,0,0,0,0|1,0,0]=3 237 B6R0.6 OCCCCCBr 23140 [2,0,0,0,0,0|2,0,0]=4 238 B6R0.6 OCCCCCCl O11412 [2,0,0,0,0,0|2,0,0]=4 239 B6R0.6 SCCCCCS D92137 [2,0,0,0,0,0|2,0,0]=4 240 B6R0.1 CCC(=O)CC#N 28991 [2,0,0,0,0,0|1,0,1]=4 241 B6R0.1 CCCC(=O)CC D90801 [2,0,0,0,0,0|0,0,0]=2 242 B6R0.1 CCCC(=O)NN O11707 [2,0,0,0,0,0|2,0,0]=4 243 B6R0.1 CCCC(=O)SC D91533 [2,0,0,0,0,0|1,0,0]=3 244 B6R0.1 CCC[C@@H](Cl)CC D76318 [2,0,0,0,0,0|1,0,1]=4 245 B6R0.1 CCOC(=N)CC W15737 [2,0,0,0,0,0|2,0,0]=4 246 B6R0.1 CCOC(=O)CN C93496 [2,0,0,0,0,0|2,0,0]=4 247 B6R0.1 CCOC(=O)CO 39380 [2,0,0,0,0,0|2,0,0]=4 248 B6R0.1 CCOC(=O)CS F21271 [2,0,0,0,0,0|2,0,0]=4 249 B6R0.1 CCOC(=O)NC D91332 [2,0,0,0,0,0|2,0,0]=4 250 B6R0.1 CCOC(=O)OC A11149 [2,0,0,0,0,0|2,0,0]=4 251 B6R0.1 CNCC(=O)NC 71568 [2,0,0,0,0,0|2,0,0]=4 252 B6R0.1 CNCC(=O)OC 73733 [2,0,0,0,0,0|2,0,0]=4 253 B6R0.1 COC(=O)CCBr AB7483 [2,0,0,0,0,0|2,0,0]=4 254 B6R0.1 COC(=O)CCCl D95821 [2,0,0,0,0,0|2,0,0]=4 255 B6R0.1 COC(=O)CCN S12362 [2,0,0,0,0,0|2,0,0]=4 256 B6R0.1 COC(=O)CCO 29940 [2,0,0,0,0,0|2,0,0]=4 257 B6R0.1 COC(=O)CCS D70327 [2,0,0,0,0,0|2,0,0]=4 258 B6R0.1 COC(=O)CSC D87959 [2,0,0,0,0,0|2,0,0]=4 259 B6R0.1 C\C=C\C(=O)CC 74326 [2,0,0,0,0,0|0,0,2]=4 260 B6R0.4 C=C(C)CNCC D95542 [2,0,0,0,0,0|2,0,0]=4 261 B6R0.4 CC(=O)CCCCl D77754 [2,0,0,0,0,0|1,0,0]=3 262 B6R0.4 CC(=O)CCCO 24602 [2,0,0,0,0,0|1,0,0]=3 263 B6R0.4 CC(=O)NCCN D70867 [2,0,0,0,0,0|2,0,0]=4 264 B6R0.4 CC(=O)NCCO FD10637 [2,0,0,0,0,0|2,0,0]=4 265 B6R0.4 CC(=O)NCCS AT13754 [2,0,0,0,0,0|2,0,0]=4 266 B6R0.4 CC(=O)OCCBr C10198 [2,0,0,0,0,0|2,0,0]=4 267 B6R0.4 CC(=O)OCCCl D88201 [2,0,0,0,0,0|2,0,0]=4 268 B6R0.4 CC(=O)OCCO D88371 [2,0,0,0,0,0|2,0,0]=4 269 B6R0.4 CCCCC(=N)N 31933 [2,0,0,0,0,0|2,0,0]=4 270 B6R0.4 CCCCC(=N)N W16181 [2,0,0,0,0,0|2,0,0]=4 271 B6R0.4 CCCCC(=O)[O-] F16484 [2,0,0,0,0,0|1,0,0]=3 272 B6R0.4 CCCCC(N)=O A10835 [2,0,0,0,0,0|1,0,0]=3 273 B6R0.4 CCCNC(C)=O D97464 [2,0,0,0,0,0|1,0,0]=3 274 B6R0.4 CCCOC(N)=O F16337 [2,0,0,0,0,0|2,0,0]=4 275 B6R0.4 CCCSC(C)=O D92148 [2,0,0,0,0,0|1,0,0]=3 276 B6R0.4 CCSCC(=O)O D95699 [2,0,0,0,0,0|2,0,0]=4 277 B6R0.4 CNCCC(=O)O 29150 [2,0,0,0,0,0|2,0,0]=4 278 B6R0.4 CNCCC(=O)O C76064 [2,0,0,0,0,0|2,0,0]=4 279 B6R0.4 COCCC(=O)O F14687 [2,0,0,0,0,0|2,0,0]=4 280 B6R0.4 CSCCC(=O)O D87669 [2,0,0,0,0,0|2,0,0]=4 281 B6R0.4 CSCCC(C)=O D91573 [2,0,0,0,0,0|1,0,0]=3 282 B6R0.4 CSCOC(C)=O D88428 [2,0,0,0,0,0|2,0,0]=4 283 B6R0.4 NCCCC(=O)O D70585 [2,0,0,0,0,0|2,0,0]=4 284 B6R0.4 O=C(Cl)CCCBr P19996 [2,0,0,0,0,0|2,0,0]=4 285 B6R0.4 O=C(O)CCCBr 20498 [2,0,0,0,0,0|2,0,0]=4 286 B6R0.4 O=C(O)CCCCl F19286 [2,0,0,0,0,0|2,0,0]=4 287 B6R0.4 O=C(O)CCCS F20547 [2,0,0,0,0,0|2,0,0]=4 288 B8R0.4 BrCCCCCCCBr H11758 [1,1,0,0,0,0|1,0,1]=4 289 B8R0.4 CCCCCCCCCl D97411 [1,1,0,0,0,0|0,0,1]=3 290 B8R0.4 CCCCCCCCI W18672 [1,1,0,0,0,0|0,0,1]=3 291 B8R0.4 CCCCCCCCN D91873 [1,1,0,0,0,0|0,0,1]=3 292 B8R0.4 CCCCCCCCN D91878 [1,1,0,0,0,0|0,0,1]=3 293 B8R0.4 CCCCCCCNC D82019 [1,1,0,0,0,0|0,0,1]=3 294 B8R0.4 CCCCC\C=C\C=O D91827 [1,1,0,0,0,0|0,0,2]=4 295 B8R0.4 CCCCC\C=C\CO D91843 [1,1,0,0,0,0|0,0,1]=3 296 B8R0.4 CCCCOCCOC A11001 [1,1,0,0,0,0|1,0,1]=4 297 B8R0.4 CCCC[SnH4+2]CCCC D95293 [1,1,0,0,0,0|0,0,1]=3 298 B8R0.4 CCCC[SnH4+2]CCCC D95356 [1,1,0,0,0,0|0,0,1]=3 299 B8R0.4 CCOCCOCCBr D97193 [1,1,0,0,0,0|2,0,0]=4 300 B8R0.4 CCOCCOCCO D72502 [1,1,0,0,0,0|2,0,0]=4 301 B8R0.4 NCCCCCCCN O11823 [1,1,0,0,0,0|1,0,1]=4 302 B8R0.4 OCCCCCCCBr 34162 [1,1,0,0,0,0|1,0,1]=4 303 B8R0.4 OCCCCCCCCl D97219 [1,1,0,0,0,0|1,0,1]=4 304 B8R0.4 OCCCCCCCO H10510 [1,1,0,0,0,0|1,0,1]=4 305 B8R0.7 CC(C)CCCCCO A10851 [1,1,0,0,0,0|1,0,1]=4 306 B8R0.7 CC(C)NCCCCO F10470 [1,1,0,0,0,0|2,0,0]=4 307 B8R0.7 CCCCCC[C@H](C)Br F21283 [1,1,0,0,0,0|0,0,1]=3 308 B8R0.7 CCCCCC[C@H](C)O AC1155 [1,1,0,0,0,0|0,0,1]=3 309 B8R0.7 CCCCCC[C@H](C)O D71187 [1,1,0,0,0,0|0,0,1]=3 310 B8R0.7 CCCCCC[C@H](C)O D81747 [1,1,0,0,0,0|0,0,1]=3 311 B8R0.7 CCNCCCN(C)C 31761 [1,1,0,0,0,0|2,0,0]=4 312 B8R0.3 CCC[C@H](C)C(=O)OC D92993 [1,1,0,0,0,0|1,0,0]=3 313 B8R0.3 CCC[C@H](N)C(=O)OC 64049 [1,1,0,0,0,0|1,0,0]=3 314 B8R0.3 CCC[C@H](N)C(=O)OC D83467 [1,1,0,0,0,0|1,0,0]=3 315 B8R0.3 CCOC(=O)C(=O)CC RB3244 [1,1,0,0,0,0|1,0,1]=4 316 B8R0.3 COC(=O)[C@@H](Br)CCBr 61732 [1,1,0,0,0,0|2,0,0]=4 317 B8R0.3 COC(=O)[C@@H](C)CCCl D89391 [1,1,0,0,0,0|2,0,0]=4 318 B8R0.3 COC[C@H](Br)C(=O)OC A10668 [1,1,0,0,0,0|2,0,0]=4 319 B8R0.8 CC(C)C(=O)NCCN D86303 [1,1,0,0,0,0|2,0,0]=4 320 B8R0.8 CCCCC(=O)C(C)C D91376 [1,1,0,0,0,0|0,0,0]=2 321 B8R0.8 CCCOC(=O)[C@H](C)O D91251 [1,1,0,0,0,0|1,0,0]=3 322 B8R0.8 C[C@H](O)C(=O)NCCO D90852 [1,1,0,0,0,0|2,0,0]=4 323 B8R0.9 CC(C)CNC(=O)CCl F20035 [1,1,0,0,0,0|2,0,0]=4 324 B8R0.9 CCC(=O)CCC(=O)O D93322 [1,1,0,0,0,0|1,0,1]=4 325 B8R0.9 CCC(=O)NCC(C)C AC2518 [1,1,0,0,0,0|1,0,0]=3 326 B8R0.9 COC(=O)CCC(C)=O H11992 [1,1,0,0,0,0|1,0,1]=4 327 B8R0.9 COC(=O)CCN(C)C 32618 [1,1,0,0,0,0|2,0,0]=4 328 B8R0.11 CCCCN(CC)CC D94767 [1,1,0,0,0,0|2,0,0]=4 329 B8R0.11 CCCC[C@H](CC)CBr D77662 [1,1,0,0,0,0|1,0,1]=4 330 B8R0.11 CCCC[C@H](CC)CCl D89423 [1,1,0,0,0,0|1,0,1]=4 331 B8R0.11 CCCC[C@H](CC)CN D90440 [1,1,0,0,0,0|1,0,1]=4 332 B8R0.11 CCCC[C@H](CC)CO D72516 [1,1,0,0,0,0|0,0,2]=4 333 B8R0.11 CCCC[C@H](CC)CS D90586 [1,1,0,0,0,0|0,1,1]=4 334 B8R0.19 CCC(=O)CC(=O)CC O11824 [1,1,0,0,0,0|0,0,1]=3 335 B8R0.19 CCC(=O)CC(=O)OC AC7866 [1,1,0,0,0,0|1,0,1]=4 336 B8R0.5 CCS[C@@H](C)CC(=O)O D80779 [1,1,0,0,0,0|2,0,0]=4 337 B8R0.21 CCCCCS(=O)(=O)[O-] F10023 [1,1,0,0,0,0|2,0,0]=4 338 B8R0.21 CCCCCS(=O)(=O)[O-] F10035 [1,1,0,0,0,0|2,0,0]=4 339 B8R0.21 CCCCOS(C)(=O)=O A10593 [1,1,0,0,0,0|2,0,0]=4 340 B8R0.28 CC(=O)CCC=C(C)C D77716 [1,1,0,0,0,0|0,0,2]=4 341 B8R0.28 CC(=O)CCCC(=O)O TD8115 [1,1,0,0,0,0|1,0,1]=4 342 B8R0.28 CC(=O)CCCC(C)C D81757 [1,1,0,0,0,0|0,0,0]=2 343 B8R0.28 CC(=O)CCOC(C)=O D84229 [1,1,0,0,0,0|1,0,1]=4 344 B8R0.28 CC(=O)OCCN(C)C D88355 [1,1,0,0,0,0|2,0,0]=4 345 B8R0.28 CC(C)COCC(=O)O D79193 [1,1,0,0,0,0|2,0,0]=4 346 B8R0.28 CN(C)CCCC(=O)O F14882 [1,1,0,0,0,0|2,0,0]=4 347 B10R0.3 CC(C)CCC[C@H](C)CCBr AB6389 [0,2,0,0,0,0|1,0,1]=4 348 B10R0.3 CC(C)CCC[C@H](C)CCN AB7060 [0,2,0,0,0,0|1,0,1]=4 349 B10R0.3 CCCC(=O)CCCC(=O)O D93029 [0,2,0,0,0,0|1,0,1]=4 350 B10R0.3 CCOC(=O)CCCC(=O)Cl D90519 [0,2,0,0,0,0|1,0,1]=4 351 B10R0.3 CCOC(=O)CCCC(=O)O 73291 [0,2,0,0,0,0|1,0,1]=4 352 B10R0.3 CCOC(=O)CCCC(C)=O 95732 [0,2,0,0,0,0|0,0,1]=3 353 B10R0.44 COC(=O)CC(=O)CC(C)C S11515 [0,2,0,0,0,0|1,0,1]=4 354 B10R0.65 CC[C@](C)(O)CCCC(C)C D78122 [0,2,0,0,0,0|0,0,2]=4 355 B10R0.77 CCN(CC)CCC[C@H](C)N 77918 [0,2,0,0,0,0|2,0,0]=4 356 B10R0.1 CCOC(=O)CCCCC=O N10652 [0,2,0,0,0,0|0,0,1]=3 357 B10R0.1 CCOC(=O)CCCCCBr 73728 [0,2,0,0,0,0|0,0,0]=2 358 B10R0.1 CCOC(=O)CCCCCN V10012 [0,2,0,0,0,0|0,0,0]=2 359 B10R0.1 CCOC(=O)CCCCCO A11137 [0,2,0,0,0,0|0,0,0]=2 360 B10R0.1 CCOC(=O)COCCCCl AC8364 [0,2,0,0,0,0|1,0,0]=3 361 B10R0.1 CCOCCOC(=O)CC#N H11292 [0,2,0,0,0,0|1,0,1]=4 362 B10R0.2 CCC[C@H](O)CC(=O)OCC D70264 [0,2,0,0,0,0|0,0,0]=2 363 B10R0.2 CCOC(=N)CC(=O)OCC 89099 [0,2,0,0,0,0|1,0,1]=4 364 B10R0.2 CCOC(=O)CC(=O)COC 74076 [0,2,0,0,0,0|1,0,1]=4 365 B10R0.2 CCOC(=O)CC(=O)OCC D78522 [0,2,0,0,0,0|1,0,1]=4 366 B10R0.2 CCOC(=O)C[C@@H](O)CCN 56047 [0,2,0,0,0,0|1,0,0]=3 367 B10R0.2 CCOC(=O)C[C@H](O)CC#N 28252 [0,2,0,0,0,0|1,0,1]=4 368 B10R0.2 CCOC(=O)C[C@H](O)CC#N 60923 [0,2,0,0,0,0|1,0,1]=4 369 B10R0.6 CCCCCC(=O)OC(C)C D89305 [0,2,0,0,0,0|0,0,0]=2 370 B10R0.6 CCCOCC(=O)OC(C)C D81295 [0,2,0,0,0,0|1,0,0]=3 371 B10R0.6 COCCOC(=O)CC(C)=O 43944 [0,2,0,0,0,0|2,0,0]=4 372 B10R0.19 CCCCC(=O)C(=O)OCC 35739 [0,2,0,0,0,0|0,0,1]=3 373 B10R0.19 CCCCC(O)C(C)CCC 74028 [0,2,0,0,0,0|1,0,1]=4 374 B10R0.19 CCCC[C@H](Br)C(=O)OCC D95689 [0,2,0,0,0,0|0,0,0]=2 375 B10R0.19 CCOC(=O)[C@@H](N)CCCN D76151 [0,2,0,0,0,0|1,0,0]=3 376 B10R0.19 CCOC(=O)[C@@H](N)CCSC 39404 [0,2,0,0,0,0|1,0,0]=3 377 B10R0.19 CCOC(=O)[C@@H](N)CCSC F10970 [0,2,0,0,0,0|1,0,0]=3 378 B10R0.83 CCCCOC(=O)[C@@H](C)CC D95649 [0,2,0,0,0,0|1,0,0]=3 379 B10R0.83 COC(=O)[C@@H](N)CCCCN F10815 [0,2,0,0,0,0|1,0,0]=3 380 B10R0.83 COC(=O)[C@@H](N)CCCCN F10989 [0,2,0,0,0,0|1,0,0]=3 381 B10R0.91 C#CCOC(=O)NCCCC D81823 [0,2,0,0,0,0|1,0,1]=4 382 B10R0.91 C=CCOC(=O)CCCCC A50641 [0,2,0,0,0,0|0,0,1]=3 383 B10R0.91 CCCCCC(=O)OCCC D92174 [0,2,0,0,0,0|0,0,0]=2 384 B10R0.91 CCCCOC(=O)CCCC D89067 [0,2,0,0,0,0|1,0,0]=3 385 B10R0.91 CCCCOC(=O)CN=C=O D91130 [0,2,0,0,0,0|1,0,1]=4 386 B10R0.108 CCOC(=O)CCC(=O)OC D93546 [0,2,0,0,0,0|1,0,1]=4 387 B10R0.85 CCCC[C@H](CC)C(=O)OC D93232 [0,2,0,0,0,0|1,0,0]=3 388 B10R0.18 CCCCC(=O)CC(=O)OC H10810 [0,2,0,0,0,0|1,0,0]=3 389 B10R0.18 CCOCC(=O)CC(=O)OC D95601 [0,2,0,0,0,0|1,0,1]=4 390 B10R0.26 CCOC(=O)CC(=O)C(C)C O11797 [0,2,0,0,0,0|1,0,1]=4 391 B10R0.55 COC(=O)CCCCC(=O)Cl D81982 [0,2,0,0,0,0|1,0,1]=4 392 B10R0.55 COC(=O)CCCCC(=O)O O11605 [0,2,0,0,0,0|1,0,1]=4 393 B10R0.74 CCCCCC#CC(=O)OC D70492 [0,2,0,0,0,0|1,0,0]=3 394 B10R0.74 CCCCCCCC(=O)NN 23135 [0,2,0,0,0,0|2,0,0]=4 395 B10R0.74 CCCCCCCC(=O)NO 35665 [0,2,0,0,0,0|2,0,0]=4 396 B10R0.74 CCCCCCCC(=O)NO D89270 [0,2,0,0,0,0|2,0,0]=4 397 B10R0.74 COC(=O)CCCCCCBr F11980 [0,2,0,0,0,0|1,0,0]=3 398 B10R0.74 COC(=O)CCCCCCN 67874 [0,2,0,0,0,0|1,0,0]=3 399 B10R0.75 O=C(O)C(=O)CCCCCCl D93207 [0,2,0,0,0,0|1,0,1]=4 400 B8R1.2 BrCC1CCCCC1 81459 [1,0,0,1,0,0|1,0,1]=4 401 B8R1.2 BrCC1CCNCC1 54450 [1,0,0,1,0,0|2,0,0]=4 402 B8R1.2 BrCC1CCOCC1 54616 [1,0,0,1,0,0|2,0,0]=4 403 B8R1.2 CCN1CCNCC1 P17082 [1,0,0,1,0,0|2,0,0]=4 404 B8R1.2 CC[C@H]1CCCCN1 D90478 [1,0,0,1,0,0|1,0,1]=4 405 B8R1.2 CNC1CCOCC1 32360 [1,0,0,1,0,0|2,0,0]=4 406 B8R1.2 CNC1CCOCC1 AB1551 [1,0,0,1,0,0|2,0,0]=4 407 B8R1.2 COC1CCNCC1 29503 [1,0,0,1,0,0|2,0,0]=4 408 B8R1.2 COC1CCNCC1 30319 [1,0,0,1,0,0|2,0,0]=4 409 B8R1.2 ICC1CCOCC1 62810 [1,0,0,1,0,0|2,0,0]=4 410 B8R1.2 NCC1CCCCC1 FD10556 [1,0,0,1,0,0|1,0,1]=4 411 B8R1.2 NCC1CCNCC1 20503 [1,0,0,1,0,0|2,0,0]=4 412 B8R1.2 NCC1CCOCC1 51888 [1,0,0,1,0,0|2,0,0]=4 413 B8R1.2 NCC1CCOCC1 AB1593 [1,0,0,1,0,0|2,0,0]=4 414 B8R1.2 OCC1CCCCC1 73723 [1,0,0,1,0,0|1,0,1]=4 415 B8R1.2 OCC1CCNCC1 25838 [1,0,0,1,0,0|2,0,0]=4 416 B8R1.2 OCC1CCOCC1 66550 [1,0,0,1,0,0|2,0,0]=4 417 B8R1.2 OCC1CCSCC1 30719 [1,0,0,1,0,0|2,0,0]=4 418 B8R1.2 OC[C@@H]1CC=CCC1 AC7844 [1,0,0,1,0,0|1,0,1]=4 419 B8R1.5 C[C@H]1CCCC[C@@H]1N S11914 [1,0,0,1,0,0|1,0,1]=4 420 B8R1.5 C[C@H]1CCCC[C@H]1C D89702 [1,0,0,1,0,0|0,0,1]=3 421 B8R1.8 CCO[C@H]1CCNC1 31293 [1,0,0,1,0,0|2,0,0]=4 422 B8R1.8 CNC[C@H]1CCOC1 P16261 [1,0,0,1,0,0|2,0,0]=4 423 B8R1.8 NCCC1CCCC1 23538 [1,0,0,1,0,0|1,0,1]=4 424 B8R1.8 OCCC1CCCC1 P10032 [1,0,0,1,0,0|1,0,1]=4 425 B8R1.8 OCC[C@H]1CCNC1 38792 [1,0,0,1,0,0|2,0,0]=4 426 B8R1.22 CN1CCCNCC1 63976 [1,0,0,1,0,0|2,0,0]=4 427 B8R1.22 C[C@H]1CCCNCC1 72644 [1,0,0,1,0,0|1,0,0]=3 428 B8R1.22 ClC1CCCCCC1 D81846 [1,0,0,1,0,0|1,0,1]=4 429 B8R1.22 NC1CCCCCC1 F19821 [1,0,0,1,0,0|1,0,1]=4 430 B8R1.22 OC1CCCCCC1 D89285 [1,0,0,1,0,0|1,0,1]=4 431 B8R1.22 O[C@H]1CCCNCC1 36657 [1,0,0,1,0,0|2,0,0]=4 432 B8R1.22 O[C@H]1CCCNCC1 62252 [1,0,0,1,0,0|2,0,0]=4 433 B8R1.49 C1=CCCCCCC1 D89499 [1,0,0,1,0,0|0,0,1]=3 434 B8R1.1 CC[C@H]1CCC(=O)O1 AC2069 [1,0,0,1,0,0|1,0,0]=3 435 B8R1.1 N#C[C@H]1CCC(=O)C1 72729 [1,0,0,1,0,0|1,0,1]=4 436 B8R1.1 NC[C@H]1CCC(=O)N1 29046 [1,0,0,1,0,0|2,0,0]=4 437 B8R1.1 O=C1CC[C@H](CBr)N1 54799 [1,0,0,1,0,0|2,0,0]=4 438 B8R1.1 O=C1CC[C@H](CBr)N1 FD1199 [1,0,0,1,0,0|2,0,0]=4 439 B8R1.1 O=C1CC[C@H](CO)N1 65450 [1,0,0,1,0,0|2,0,0]=4 440 B8R1.1 O=C1CC[C@H](CO)N1 65451 [1,0,0,1,0,0|2,0,0]=4 441 B8R1.1 O=C1CC[C@H](CO)N1 78078 [1,0,0,1,0,0|2,0,0]=4 442 B8R1.1 O=C1CC[C@H](CO)O1 60100 [1,0,0,1,0,0|2,0,0]=4 443 B8R1.1 O=C1CC[C@H](CO)O1 60102 [1,0,0,1,0,0|2,0,0]=4 444 B8R1.3 CC1CCC(=O)CC1 P20542 [1,0,0,1,0,0|0,0,0]=2 445 B8R1.3 CN1CCC(=O)CC1 67677 [1,0,0,1,0,0|1,0,0]=3 446 B8R1.3 C[C@H]1CC[C@@H](N)CC1 63819 [1,0,0,1,0,0|1,0,1]=4 447 B8R1.3 C[C@H]1CC[C@H](N)CC1 47228 [1,0,0,1,0,0|1,0,1]=4 448 B8R1.3 C[C@H]1CC[C@H](N)CC1 63820 [1,0,0,1,0,0|1,0,1]=4 449 B8R1.3 NC1CCC(=O)CC1 24439 [1,0,0,1,0,0|1,0,0]=3 450 B8R1.3 N[C@H]1CCC(=O)NC1 P10247 [1,0,0,1,0,0|2,0,0]=4 451 B8R1.3 O=C1CCC(=O)CC1 F11265 [1,0,0,1,0,0|1,0,1]=4 452 B8R1.3 O=C1CCC(O)CC1 24546 [1,0,0,1,0,0|1,0,0]=3 453 B8R1.3 O=C1CC[C@H](O)CN1 62216 [1,0,0,1,0,0|2,0,0]=4 454 B8R1.3 O=C1CC[C@H](O)CN1 62217 [1,0,0,1,0,0|2,0,0]=4 455 B8R1.38 COC(=O)C1CCC1 TD1247 [1,0,0,1,0,0|1,0,0]=3 456 B8R1.38 COC(=O)C1CNC1 27444 [1,0,0,1,0,0|2,0,0]=4 457 B8R1.38 COC(=O)[C@@H]1CCN1 63809 [1,0,0,1,0,0|2,0,0]=4 458 B8R1.38 COC(=O)[C@@H]1CCN1 66102 [1,0,0,1,0,0|2,0,0]=4 459 B8R1.38 NNC(=O)C1CCC1 P10255 [1,0,0,1,0,0|2,0,0]=4 460 B8R1.38 O=C(CBr)C1CCC1 P18349 [1,0,0,1,0,0|1,0,0]=3 461 B8R1.38 O=C(CCl)N1CCC1 71566 [1,0,0,1,0,0|2,0,0]=4 462 B8R1.40 NCC(=O)NC1CC1 AB1061 [1,0,0,1,0,0|2,0,0]=4 463 B8R1.40 O=C(CCl)NC1CC1 F19977 [1,0,0,1,0,0|2,0,0]=4 464 B8R1.50 CC1C(=O)CCC1=O P10004 [1,0,0,1,0,0|1,0,1]=4 465 B8R1.50 CN1C(=O)CC[C@@H]1O 33572 [1,0,0,1,0,0|2,0,0]=4 466 B8R1.50 C[C@H]1CCC(=O)N1C D86499 [1,0,0,1,0,0|1,0,0]=3 467 B8R1.52 CCC1(O)CCCC1 AC8353 [1,0,0,1,0,0|0,0,2]=4 468 B8R1.52 CC[N+]1(C)CCCC1 D90580 [1,0,0,1,0,0|2,0,0]=4 469 B8R1.52 CC[N+]1(C)CCCC1 RB3140 [1,0,0,1,0,0|2,0,0]=4 470 B8R1.4 CC1=CC(=O)CCC1 S10448 [1,0,0,1,0,0|0,0,2]=4 471 B8R1.4 CC1CCCC(C)N1 F10355 [1,0,0,1,0,0|1,0,1]=4 472 B8R1.4 CC1CCCC(N)C1 33432 [1,0,0,1,0,0|1,0,1]=4 473 B8R1.4 CN1CCCC(=O)C1 25967 [1,0,0,1,0,0|1,0,0]=3 474 B8R1.4 CN1CCNC(=O)C1 23552 [1,0,0,1,0,0|2,0,0]=4 475 B8R1.4 CN1CCOC(=O)C1 70849 [1,0,0,1,0,0|2,0,0]=4 476 B8R1.4 C[C@H]1CC(=O)CCN1 55931 [1,0,0,1,0,0|1,0,0]=3 477 B8R1.4 C[C@H]1CCCC(=O)C1 33413 [1,0,0,1,0,0|0,0,0]=2 478 B8R1.4 C[C@H]1CCCC(=O)N1 P10077 [1,0,0,1,0,0|1,0,0]=3 479 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [1,0,0,1,0,0|1,0,0]=3 480 B8R1.4 C[C@H]1COCC(=O)N1 88852 [1,0,0,1,0,0|2,0,0]=4 481 B8R1.4 C[C@H]1COCC(=O)N1 88853 [1,0,0,1,0,0|2,0,0]=4 482 B8R1.4 N[C@H]1CCNC(=O)C1 28187 [1,0,0,1,0,0|2,0,0]=4 483 B8R1.4 N[C@H]1CCNC(=O)C1 62308 [1,0,0,1,0,0|2,0,0]=4 484 B8R1.4 O=C1CCCC(=O)C1 70018 [1,0,0,1,0,0|1,0,1]=4 485 B8R1.4 O=C1C[C@@H](O)CCN1 68726 [1,0,0,1,0,0|2,0,0]=4 486 B8R1.7 CC(=O)C1CCCC1 83754 [1,0,0,1,0,0|0,0,0]=2 487 B8R1.7 CC(=O)N1CCCC1 A12496 [1,0,0,1,0,0|1,0,0]=3 488 B8R1.7 C[C@H](N)C1CCCC1 83753 [1,0,0,1,0,0|1,0,1]=4 489 B8R1.7 C[C@H](O)C1CCCC1 W16248 [1,0,0,1,0,0|0,0,2]=4 490 B8R1.7 NC(=O)C1CCCC1 20928 [1,0,0,1,0,0|1,0,0]=3 491 B8R1.7 NC(=O)[C@@H]1CCCN1 59577 [1,0,0,1,0,0|2,0,0]=4 492 B8R1.7 NC(=O)[C@@H]1CCCN1 59579 [1,0,0,1,0,0|2,0,0]=4 493 B8R1.7 NC(=O)[C@@H]1CCCN1 59581 [1,0,0,1,0,0|2,0,0]=4 494 B8R1.7 NC(=O)[C@@H]1CCCN1 AC8100 [1,0,0,1,0,0|2,0,0]=4 495 B8R1.7 NC(=O)[C@@H]1CCCN1 F10562 [1,0,0,1,0,0|2,0,0]=4 496 B8R1.7 NC(=O)[C@@H]1CCCN1 P10052 [1,0,0,1,0,0|2,0,0]=4 497 B8R1.7 NC(=O)[C@@H]1CCCO1 30997 [1,0,0,1,0,0|2,0,0]=4 498 B8R1.7 NC(=O)[C@H]1CCNC1 37189 [1,0,0,1,0,0|2,0,0]=4 499 B8R1.7 NC(=O)[C@H]1CCNC1 83250 [1,0,0,1,0,0|2,0,0]=4 500 B8R1.7 O=C(Cl)C1CCCC1 D89509 [1,0,0,1,0,0|1,0,0]=3 501 B8R1.7 O=C(O)C1CCCC1 34069 [1,0,0,1,0,0|1,0,0]=3 502 B8R1.7 O=C(O)[C@@H]1CCCN1 30759 [1,0,0,1,0,0|2,0,0]=4 503 B8R1.7 O=C(O)[C@@H]1CCCN1 69586 [1,0,0,1,0,0|2,0,0]=4 504 B8R1.7 O=C(O)[C@@H]1CCCN1 P17692 [1,0,0,1,0,0|2,0,0]=4 505 B8R1.7 O=C(O)[C@@H]1CCCO1 30805 [1,0,0,1,0,0|2,0,0]=4 506 B8R1.7 O=C(O)[C@@H]1CCCO1 66521 [1,0,0,1,0,0|2,0,0]=4 507 B8R1.7 O=C(O)[C@@H]1CCCO1 74188 [1,0,0,1,0,0|2,0,0]=4 508 B8R1.7 O=C(O)[C@@H]1CCCS1 72166 [1,0,0,1,0,0|2,0,0]=4 509 B8R1.7 O=C(O)[C@H]1CCNC1 27256 [1,0,0,1,0,0|2,0,0]=4 510 B8R1.7 O=C(O)[C@H]1CCNC1 65300 [1,0,0,1,0,0|2,0,0]=4 511 B8R1.7 O=C(O)[C@H]1CCNC1 65301 [1,0,0,1,0,0|2,0,0]=4 512 B8R1.7 O=C(O)[C@H]1CCNC1 65434 [1,0,0,1,0,0|2,0,0]=4 513 B8R1.7 O=C(O)[C@H]1CCOC1 66518 [1,0,0,1,0,0|2,0,0]=4 514 B8R1.34 CC(=O)NC1CNC1 38121 [1,0,0,1,0,0|2,0,0]=4 515 B8R1.34 O=C(O)CC1CCC1 AB3606 [1,0,0,1,0,0|1,0,0]=3 516 B8R1.35 O=C(O)CCC1CC1 68386 [1,0,0,1,0,0|1,0,0]=3 517 B8R1.72 CC1(N)CCCCC1 71329 [1,0,0,1,0,0|1,0,1]=4 518 B8R1.72 CC1(O)CCCCC1 FD14069 [1,0,0,1,0,0|0,0,2]=4 519 B8R1.72 C[N+]1(C)CCCCC1 A51057 [1,0,0,1,0,0|2,0,0]=4 520 B10R1.13 CC(=O)N1CCC(=O)CC1 20024 [0,1,0,1,0,0|1,0,1]=4 521 B10R1.13 CC(C)C1CCC(=O)CC1 28968 [0,1,0,1,0,0|0,0,0]=2 522 B10R1.13 CC(C)C1CCC(O)CC1 D84253 [0,1,0,1,0,0|0,0,2]=4 523 B10R1.13 CC(C)N1CCC(=O)CC1 77866 [0,1,0,1,0,0|1,0,0]=3 524 B10R1.13 CN(C)C1CCC(=O)CC1 25279 [0,1,0,1,0,0|1,0,0]=3 525 B10R1.13 O=C1CCC(C(=O)O)CC1 50103 [0,1,0,1,0,0|1,0,1]=4 526 B10R1.14 COC(=O)C1CCC(N)C1 31701 [0,1,0,1,0,0|1,0,0]=3 527 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 P15683 [0,1,0,1,0,0|1,0,0]=3 528 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 21005 [0,1,0,1,0,0|2,0,0]=4 529 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 28347 [0,1,0,1,0,0|2,0,0]=4 530 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 23840 [0,1,0,1,0,0|2,0,0]=4 531 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 62580 [0,1,0,1,0,0|2,0,0]=4 532 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 80143 [0,1,0,1,0,0|1,0,1]=4 533 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 21282 [0,1,0,1,0,0|1,0,0]=3 534 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 Y10581 [0,1,0,1,0,0|1,0,0]=3 535 B10R1.54 CC(C)C[C@H]1COC(=O)N1 AC1174 [0,1,0,1,0,0|2,0,0]=4 536 B10R1.153 COC(=O)CCNC1CC1 32671 [0,1,0,1,0,0|1,0,0]=3 537 B10R1.10 CCC[C@H]1CCCC(=O)O1 D70795 [0,1,0,1,0,0|1,0,0]=3 538 B10R1.11 CCNC(=O)[C@@H]1CCCN1 73274 [0,1,0,1,0,0|1,0,0]=3 539 B10R1.11 CCOC(=O)C1CC=CC1 H11362 [0,1,0,1,0,0|0,0,2]=4 540 B10R1.11 CCOC(=O)[C@@H]1CCCN1 73266 [0,1,0,1,0,0|1,0,0]=3 541 B10R1.11 CCOC(=O)[C@@H]1CCCN1 F10609 [0,1,0,1,0,0|1,0,0]=3 542 B10R1.11 CCOC(=O)[C@@H]1CCCO1 F19887 [0,1,0,1,0,0|1,0,0]=3 543 B10R1.11 CCOC(=O)[C@@H]1CSCN1 F17226 [0,1,0,1,0,0|2,0,0]=4 544 B10R1.11 CCOC(=O)[C@H]1CCNC1 23797 [0,1,0,1,0,0|1,0,0]=3 545 B10R1.11 CCOC(=O)[C@H]1CCNC1 90547 [0,1,0,1,0,0|1,0,0]=3 546 B10R1.11 CCOC(=O)[C@H]1CCNC1 90548 [0,1,0,1,0,0|1,0,0]=3 547 B10R1.11 [C-]#[N+]CC(=O)N1CCCC1 P19852 [0,1,0,1,0,0|1,0,1]=4 548 B10R1.29 CCCCN1CCCC1=O 56158 [0,1,0,1,0,0|1,0,0]=3 549 B10R1.29 NCCCN1CCCC1=O C16349 [0,1,0,1,0,0|2,0,0]=4 550 B10R1.29 O=C1CCCN1CCCO D87262 [0,1,0,1,0,0|2,0,0]=4 551 B10R1.85 ClCCN1CCCCCC1 I11502 [0,1,0,1,0,0|2,0,0]=4 552 B10R1.85 OCCN1CCCCCC1 C10805 [0,1,0,1,0,0|2,0,0]=4 553 B10R1.135 CCOC(=O)C1CC1C=O C73848 [0,1,0,1,0,0|1,0,1]=4 554 B10R1.137 CCOC(=O)C=C1CCC1 RB3329 [0,1,0,1,0,0|0,0,2]=4 555 B10R1.137 CCOC(=O)CC1CCC1 83274 [0,1,0,1,0,0|0,0,0]=2 556 B10R1.138 CCCC(=O)OC[C@H]1CO1 23071 [0,1,0,1,0,0|2,0,0]=4 557 B10R1.138 CCCC(=O)OC[C@H]1CO1 F20484 [0,1,0,1,0,0|2,0,0]=4 558 B10R1.138 CCOC(=O)CNC1CC1 20926 [0,1,0,1,0,0|1,0,0]=3 559 B10R1.377 CCC[N+]1(C)CCCCC1 D80435 [0,1,0,1,0,0|2,0,0]=4 560 B10R1.7 O[C@H]1CCCCCC[C@H]1O D81840 [0,1,0,1,0,0|0,0,2]=4 561 B10R1.15 CCC(=O)C1CCNCC1 D80905 [0,1,0,1,0,0|0,0,0]=2 562 B10R1.15 CCC(=O)N1CCNCC1 W18305 [0,1,0,1,0,0|1,0,0]=3 563 B10R1.15 CC[C@H](O)C1CCNCC1 F52461 [0,1,0,1,0,0|0,0,2]=4 564 B10R1.15 CNC(=O)C1CCNCC1 Y10624 [0,1,0,1,0,0|1,0,0]=3 565 B10R1.15 CNC(=O)C1CCNCC1 Y10987 [0,1,0,1,0,0|1,0,0]=3 566 B10R1.15 COC(=O)C1=CCCCC1 O11977 [0,1,0,1,0,0|1,0,1]=4 567 B10R1.15 COC(=O)C1CCCCC1 D77686 [0,1,0,1,0,0|1,0,0]=3 568 B10R1.15 COC(=O)C1CCNCC1 64367 [0,1,0,1,0,0|1,0,0]=3 569 B10R1.15 COC(=O)C1CCNCC1 F11229 [0,1,0,1,0,0|1,0,0]=3 570 B10R1.15 COC(=O)C1CCOCC1 63174 [0,1,0,1,0,0|1,0,0]=3 571 B10R1.15 COC(=O)N1CCNCC1 63508 [0,1,0,1,0,0|2,0,0]=4 572 B10R1.15 COC(=O)[C@@H]1CC=CCC1 H10726 [0,1,0,1,0,0|1,0,1]=4 573 B10R1.15 COC(=O)[C@@H]1CC=CCC1 P18355 [0,1,0,1,0,0|1,0,1]=4 574 B10R1.15 COC(=O)[C@@H]1CCCCN1 26190 [0,1,0,1,0,0|1,0,0]=3 575 B10R1.15 COC(=O)[C@@H]1CCCCN1 33254 [0,1,0,1,0,0|1,0,0]=3 576 B10R1.15 COC(=O)[C@@H]1CCCCN1 68797 [0,1,0,1,0,0|1,0,0]=3 577 B10R1.15 COC(=O)[C@@H]1CCCCN1 C10695 [0,1,0,1,0,0|1,0,0]=3 578 B10R1.15 COC(=O)[C@@H]1CCCCO1 31348 [0,1,0,1,0,0|1,0,0]=3 579 B10R1.15 COC(=O)[C@@H]1CNCCN1 65230 [0,1,0,1,0,0|2,0,0]=4 580 B10R1.15 COC(=O)[C@@H]1CNCCN1 68439 [0,1,0,1,0,0|2,0,0]=4 581 B10R1.15 COC(=O)[C@@H]1CNCCN1 70261 [0,1,0,1,0,0|2,0,0]=4 582 B10R1.15 COC(=O)[C@@H]1CNCCO1 72534 [0,1,0,1,0,0|2,0,0]=4 583 B10R1.15 COC(=O)[C@@H]1CNCCO1 77678 [0,1,0,1,0,0|2,0,0]=4 584 B10R1.15 COC(=O)[C@@H]1CNCCO1 77679 [0,1,0,1,0,0|2,0,0]=4 585 B10R1.15 COC(=O)[C@@H]1COCCN1 77674 [0,1,0,1,0,0|2,0,0]=4 586 B10R1.15 COC(=O)[C@@H]1COCCN1 AC2358 [0,1,0,1,0,0|2,0,0]=4 587 B10R1.15 COC(=O)[C@@H]1COCCN1 S10486 [0,1,0,1,0,0|2,0,0]=4 588 B10R1.15 COC(=O)[C@H]1CCCNC1 26438 [0,1,0,1,0,0|1,0,0]=3 589 B10R1.15 COC(=O)[C@H]1CCCNC1 64008 [0,1,0,1,0,0|1,0,0]=3 590 B10R1.15 COC(=O)[C@H]1CCCNC1 78888 [0,1,0,1,0,0|1,0,0]=3 591 B10R1.15 COC(=O)[C@H]1CCCNC1 AB1541 [0,1,0,1,0,0|1,0,0]=3 592 B10R1.15 COC(=O)[C@H]1CCCOC1 SC3171 [0,1,0,1,0,0|1,0,0]=3 593 B10R1.15 NCC(=O)N1CCOCC1 31668 [0,1,0,1,0,0|2,0,0]=4 594 B10R1.15 NNC(=O)C1CCCCC1 D82260 [0,1,0,1,0,0|2,0,0]=4 595 B10R1.15 NNC(=O)C1CCOCC1 P10753 [0,1,0,1,0,0|2,0,0]=4 596 B10R1.15 O=C(CBr)C1CCCCC1 26392 [0,1,0,1,0,0|1,0,0]=3 597 B10R1.15 O=C(CBr)N1CCOCC1 S10967 [0,1,0,1,0,0|2,0,0]=4 598 B10R1.15 O=C(CCl)N1CCCCC1 H10613 [0,1,0,1,0,0|1,0,0]=3 599 B10R1.15 O=C(CCl)N1CCOCC1 O11063 [0,1,0,1,0,0|2,0,0]=4 600 B10R1.184 COC(=O)[C@@H](N)CC1CC1 D80594 [0,1,0,1,0,0|1,0,0]=3 601 B10R1.275 CN1CCCC[C@H](N)C1=O 11067 [0,1,0,1,0,0|1,0,0]=3 602 B10R1.411 COC(=O)C1(N)CCCC1 36697 [0,1,0,1,0,0|1,0,0]=3 603 B10R1.411 COC(=O)C1(N)CCCC1 64390 [0,1,0,1,0,0|1,0,0]=3 604 B10R1.411 COC(=O)[C@]1(C)CCCN1 72717 [0,1,0,1,0,0|2,0,0]=4 605 B10R1.411 COC(=O)[C@]1(C)CCCN1 85144 [0,1,0,1,0,0|2,0,0]=4 606 B10R1.26 CNC1CCS(=O)(=O)CC1 AT10421 [0,1,0,1,0,0|2,0,0]=4 607 B10R1.27 COC(=O)CC1CCCC1 F11964 [0,1,0,1,0,0|1,0,0]=3 608 B10R1.27 NCC(=O)NC1CCCC1 AB1060 [0,1,0,1,0,0|1,0,0]=3 609 B10R1.27 NCC(=O)NC1CCCC1 D84387 [0,1,0,1,0,0|1,0,0]=3 610 B10R1.27 O=C(CCl)NC1CCCC1 71197 [0,1,0,1,0,0|1,0,0]=3 611 B10R1.134 COC(=O)CC(=O)C1CC1 71192 [0,1,0,1,0,0|1,0,1]=4 612 B10R1.149 COC(=O)[C@@H]1CCCC1=O FD9017 [0,1,0,1,0,0|1,0,1]=4 613 B10R1.1 CCCC1CCC(=O)CC1 65224 [0,1,0,1,0,0|0,0,0]=2 614 B10R1.1 CCCC1CCC(O)CC1 23014 [0,1,0,1,0,0|0,0,2]=4 615 B10R1.1 CCCN1CCC(=O)CC1 F17115 [0,1,0,1,0,0|0,0,0]=2 616 B10R1.1 CCCN1CCC(N)CC1 D70056 [0,1,0,1,0,0|1,0,1]=4 617 B10R1.1 CCC[C@H]1CC[C@H](O)CC1 N10575 [0,1,0,1,0,0|0,0,2]=4 618 B10R1.1 CCOC1CCC(=O)CC1 F31362 [0,1,0,1,0,0|0,0,0]=2 619 B10R1.1 CCOC1CCC(N)CC1 D84453 [0,1,0,1,0,0|1,0,1]=4 620 B10R1.1 CN1CCC(CCO)CC1 37199 [0,1,0,1,0,0|2,0,0]=4 621 B10R1.2 CN1C(=O)CCC[C@@H]1CN P14725 [0,1,0,1,0,0|1,0,0]=3 622 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 P11233 [0,1,0,1,0,0|2,0,0]=4 623 B10R2.25 C=C1C(=O)[C@H]2CC[C@@H]1C2 T72618 [0,0,0,2,0,0|0,0,2]=4 624 B10R2.179 CC12CCCC(=O)C1O2 63324 [0,0,0,2,0,0|1,0,0]=3 625 B10R2.2 NN1CC2CCCC2C1 D70979 [0,0,0,2,0,0|2,0,0]=4 626 B10R2.2 O=C1CC2CNCC2C1 P12510 [0,0,0,2,0,0|1,0,0]=3 627 B10R2.14 O=C1C[C@H](C2CC2)CN1 Y10368 [0,0,0,2,0,0|1,0,0]=3