0 B8R0.7 C#CCCCCC(=O)O 76366 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.7 C=CCCCCC(=O)O I11996 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.7 CC(=O)OCCCCBr F16811 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.7 CC(=O)OCCCCCl H10679 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.7 CC(C)CCCCCO A10851 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.7 CC(C)NCCCCO F10470 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.7 CCCCCCB(O)O 33195 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.7 CCCCCCC(=O)Cl A10863 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.7 CCCCCCC(=O)[O-] D90422 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.7 CCCCCCC(N)=O D93021 [0,0,0,0,0,0|1,0,0]=1 10 B8R0.7 CCCCCC[C@H](C)Br F21283 [0,0,0,0,0,0|1,0,1]=2 11 B8R0.7 CCCCCC[C@H](C)O AC1155 [0,0,0,0,0,0|0,0,2]=2 12 B8R0.7 CCCCCC[C@H](C)O D71187 [0,0,0,0,0,0|0,0,2]=2 13 B8R0.7 CCCCCC[C@H](C)O D81747 [0,0,0,0,0,0|0,0,2]=2 14 B8R0.7 CCCCCOC(=O)Cl D89273 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.7 CCCCCOC(=S)[S-] D88265 [0,0,0,0,0,0|2,1,0]=3 16 B8R0.7 CCCCOCC(=O)O AC1559 [0,0,0,0,0,0|2,0,0]=2 17 B8R0.7 CCCC\C=C\C(=O)O D90864 [0,0,0,0,0,0|1,0,2]=3 18 B8R0.7 CCNCCCN(C)C 31761 [0,0,0,0,0,0|3,0,0]=3 19 B8R0.7 CN(C)CCCCC#N AC2013 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.7 COCCOCC(=O)O D74540 [0,0,0,0,0,0|3,0,0]=3 21 B8R0.7 CSCCCOC(C)=O D91595 [0,0,0,0,0,0|2,0,0]=2 22 B8R0.7 N#CCCNCC(=O)O AB6918 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.7 N=C(N)NCCCCN 41225 [0,0,0,0,0,0|4,0,0]=4 24 B8R0.7 N=C(N)NCCCCN 52136 [0,0,0,0,0,0|4,0,0]=4 25 B8R0.7 N=C(N)NCCCCN C10463 [0,0,0,0,0,0|4,0,0]=4 26 B8R0.7 NC(=O)CCCCCBr 74914 [0,0,0,0,0,0|2,0,0]=2 27 B8R0.7 NCCNCCC(=O)[O-] F16459 [0,0,0,0,0,0|3,0,0]=3 28 B8R0.7 O=C(Cl)CCCCCBr D88888 [0,0,0,0,0,0|2,0,0]=2 29 B8R0.7 O=C(O)CCCCCBr F11242 [0,0,0,0,0,0|2,0,0]=2 30 B8R0.7 O=C(O)CCCCCCl D77823 [0,0,0,0,0,0|2,0,0]=2 31 B8R0.7 O=C(O)CCCCCO S10488 [0,0,0,0,0,0|2,0,0]=2 32 B8R0.7 O=C(O)CCNCCO D94998 [0,0,0,0,0,0|3,0,0]=3 33 B8R0.7 O=C([O-])CCCCCO Y10610 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.1 BrCCCCCCBr D77996 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.1 C#CCCCCCO 35608 [1,0,0,0,0,0|1,0,2]=4 36 B7R0.1 C=CCCCCC=C F19559 [1,0,0,0,0,0|0,0,3]=4 37 B7R0.1 C=CCCCCCBr 34943 [1,0,0,0,0,0|1,0,1]=3 38 B7R0.1 C=CCCCCNC C75624 [1,0,0,0,0,0|1,0,1]=3 39 B7R0.1 C=CCOCCCC D88441 [1,0,0,0,0,0|1,0,1]=3 40 B7R0.1 CCCCCCCBr D78084 [1,0,0,0,0,0|1,0,1]=3 41 B7R0.1 CCCCCCCI D70828 [1,0,0,0,0,0|1,0,1]=3 42 B7R0.1 CCCCCCCS D90781 [1,0,0,0,0,0|0,1,1]=3 43 B7R0.1 CCCCOCCCl D89363 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.1 CCCC\C=C\C=O 39424 [1,0,0,0,0,0|0,0,2]=3 45 B7R0.1 CNCCCCNC 29857 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.1 COCCOCCBr AC1298 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.1 COCCOCCN F19842 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.1 COCCOCCO D78002 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.1 ClCCCCCCBr AC1307 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.1 ClCCCCCCI O10399 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.1 ICCCCCCI D78160 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.1 N#CCCCCCBr 76351 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.1 N#CCCCCCN D92992 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.1 NCCCCCCN H11757 [1,0,0,0,0,0|2,0,1]=4 55 B7R0.1 NCCCCCCO 74060 [1,0,0,0,0,0|1,0,2]=4 56 B7R0.1 OCCCCCCBr 34408 [1,0,0,0,0,0|1,0,2]=4 57 B7R0.1 OCCCCCCCl D70146 [1,0,0,0,0,0|1,0,2]=4 58 B7R0.1 OCCCCCCS N11988 [1,0,0,0,0,0|1,0,2]=4 59 B7R0.1 SCCCCCCS D90840 [1,0,0,0,0,0|1,1,1]=4 60 B7R0.4 C#CCCCC(=O)O F14123 [1,0,0,0,0,0|1,0,2]=4 61 B7R0.4 C=CCCCC(=O)O D86337 [1,0,0,0,0,0|1,0,2]=4 62 B7R0.4 C=CCCOC(C)=O 74074 [1,0,0,0,0,0|1,0,2]=4 63 B7R0.4 CC(=O)CCCC#N D91224 [1,0,0,0,0,0|1,0,1]=3 64 B7R0.4 CC(=O)CCCCCl D89394 [1,0,0,0,0,0|1,0,0]=2 65 B7R0.4 CC(=O)OCCCCl 22019 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.4 CC(=O)SCCCO D86667 [1,0,0,0,0,0|2,0,0]=3 67 B7R0.4 CC(C)CCCCO D94723 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.4 CCCCCB(O)O 33673 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.4 CCCCCC(=O)[O-] D82015 [1,0,0,0,0,0|1,0,0]=2 70 B7R0.4 CCCCCC(N)=O D89187 [1,0,0,0,0,0|1,0,0]=2 71 B7R0.4 CCCCC[C@H](C)N D90921 [1,0,0,0,0,0|1,0,1]=3 72 B7R0.4 CCCCC[C@H](C)O D83253 [1,0,0,0,0,0|0,0,2]=3 73 B7R0.4 CCCCNC(N)=O D88864 [1,0,0,0,0,0|2,0,0]=3 74 B7R0.4 CCCCNC(N)=S T70321 [1,0,0,0,0,0|2,1,0]=4 75 B7R0.4 CCCCOC(=S)[S-] D82014 [1,0,0,0,0,0|2,1,0]=4 76 B7R0.4 CCCCOC(C)C D93400 [1,0,0,0,0,0|2,0,1]=4 77 B7R0.4 CCCCOC(N)=O D89279 [1,0,0,0,0,0|2,0,0]=3 78 B7R0.4 CCCCSC(C)=O 79049 [1,0,0,0,0,0|1,0,0]=2 79 B7R0.4 CCC\C=C\C(=O)O C10700 [1,0,0,0,0,0|1,0,2]=4 80 B7R0.4 CCC\C=C\C(C)=O F17581 [1,0,0,0,0,0|0,0,2]=3 81 B7R0.4 CC\C=C\CC(=O)O D82088 [1,0,0,0,0,0|1,0,2]=4 82 B7R0.4 CN(C)CCCCN 76925 [1,0,0,0,0,0|3,0,0]=4 83 B7R0.4 CNCCCC(=O)O 20515 [1,0,0,0,0,0|2,0,0]=3 84 B7R0.4 CNCCCC(=O)O AB7427 [1,0,0,0,0,0|2,0,0]=3 85 B7R0.4 CNCCCN(C)C D94649 [1,0,0,0,0,0|3,0,0]=4 86 B7R0.4 N#CCCCC(=O)O RB3314 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.4 NC(=O)COCCCl F15040 [1,0,0,0,0,0|3,0,0]=4 88 B7R0.4 NCCCCC(=O)O 76219 [1,0,0,0,0,0|2,0,0]=3 89 B7R0.4 NCCCCC(=O)O D78140 [1,0,0,0,0,0|2,0,0]=3 90 B7R0.4 NCCOCC(=O)O AT23391 [1,0,0,0,0,0|3,0,0]=4 91 B7R0.4 O=C(Cl)CCCCBr H11319 [1,0,0,0,0,0|2,0,0]=3 92 B7R0.4 O=C(Cl)CCCCCl D89459 [1,0,0,0,0,0|2,0,0]=3 93 B7R0.4 O=C(Cl)OCCCCl D89474 [1,0,0,0,0,0|3,0,0]=4 94 B7R0.4 O=C(O)CCCCBr 76255 [1,0,0,0,0,0|2,0,0]=3 95 B7R0.4 O=C(O)CCCCCl C10667 [1,0,0,0,0,0|2,0,0]=3 96 B7R0.4 O=C(O)CNCCO AB10154 [1,0,0,0,0,0|3,0,0]=4 97 B7R0.4 O=C(O)COCCCl 29961 [1,0,0,0,0,0|3,0,0]=4 98 B7R0.4 O=C([O-])CCCCO F13839 [1,0,0,0,0,0|2,0,0]=3 99 B9R0.1 C=C(C)CCCC(=O)OC C74671 [0,1,0,0,0,0|2,0,1]=4 100 B9R0.1 COC(=O)CCCC(=O)Cl S11980 [0,1,0,0,0,0|2,0,1]=4 101 B9R0.1 COC(=O)CCCC(=O)O AC9189 [0,1,0,0,0,0|2,0,1]=4 102 B9R0.1 COC(=O)CCCC(C)=O AC8283 [0,1,0,0,0,0|1,0,1]=3 103 B9R0.2 CC(=O)NCCCCCN F14796 [0,1,0,0,0,0|1,0,0]=2 104 B9R0.2 CC(=O)OCCCCCBr D70120 [0,1,0,0,0,0|1,0,0]=2 105 B9R0.2 CC(=O)OCCOCCCl D95763 [0,1,0,0,0,0|2,0,0]=3 106 B9R0.2 CC(=O)OCCOCCO S10606 [0,1,0,0,0,0|2,0,0]=3 107 B9R0.2 CC(C)NCCCCCO H11897 [0,1,0,0,0,0|2,0,1]=4 108 B9R0.2 CCCCCCCB(O)O F30119 [0,1,0,0,0,0|2,0,1]=4 109 B9R0.2 CCCCCCCC(N)=O D91840 [0,1,0,0,0,0|1,0,0]=2 110 B9R0.2 CCCCCCNC(N)=S D97364 [0,1,0,0,0,0|1,1,0]=3 111 B9R0.2 CCCNCCCN(C)C D97633 [0,1,0,0,0,0|2,0,0]=3 112 B9R0.2 CC\C=C/CCOC(C)=O D88345 [0,1,0,0,0,0|0,0,2]=3 113 B9R0.2 COCCCCOC(C)=O D88465 [0,1,0,0,0,0|1,0,0]=2 114 B9R0.2 C[S@](=O)CCCCN=C=S F17072 [0,1,0,0,0,0|2,0,1]=4 115 B9R0.2 NCCCCCCC(=O)O 33797 [0,1,0,0,0,0|1,0,0]=2 116 B9R0.2 NCCCCCCC(=O)O F11866 [0,1,0,0,0,0|1,0,0]=2 117 B9R0.2 O=C(O)CCCCCCBr F11868 [0,1,0,0,0,0|1,0,0]=2 118 B9R0.2 O=C(O)CCCCCCO O11656 [0,1,0,0,0,0|1,0,0]=2 119 B9R0.4 CCCC[C@H](N)CC(=O)O 29775 [0,1,0,0,0,0|1,0,0]=2 120 B9R0.38 CCCCCCC(C)(C)O D93517 [0,1,0,0,0,0|0,0,2]=3 121 B9R0.38 CCCCCCS(=O)(=O)[O-] F10020 [0,1,0,0,0,0|2,0,0]=3 122 B9R0.38 CCCCCCS(=O)(=O)[O-] F10030 [0,1,0,0,0,0|2,0,0]=3 123 B9R0.38 CCCCCC[N+](C)(C)C D90893 [0,1,0,0,0,0|2,0,0]=3 124 B9R0.38 CCCCCC[Si](C)(C)Cl D89556 [0,1,0,0,0,0|1,1,0]=3 125 B9R0.38 CSCCCOS(C)(=O)=O C11627 [0,1,0,0,0,0|3,0,0]=4 126 B9R0.38 C[N+](C)(C)CCCCCBr AC8016 [0,1,0,0,0,0|3,0,0]=4 127 B9R0.46 CCCCCCC(=O)OC D90782 [0,1,0,0,0,0|0,0,0]=1 128 B9R0.46 CCCCCC[C@H](O)CO F21409 [0,1,0,0,0,0|0,0,2]=3 129 B9R0.46 COC(=O)CCCCC=O C76096 [0,1,0,0,0,0|1,0,1]=3 130 B9R0.46 COC(=O)CCCCCBr AC7709 [0,1,0,0,0,0|1,0,0]=2 131 B9R0.46 COC(=O)CCCCCN 24451 [0,1,0,0,0,0|1,0,0]=2 132 B9R0.46 COC(=O)CCCCCO D97618 [0,1,0,0,0,0|1,0,0]=2 133 B9R0.47 CCCCC[C@H](C)C(=O)O D91473 [0,1,0,0,0,0|1,0,0]=2 134 B9R0.47 CCCCC[C@H](N)C(=O)O C71385 [0,1,0,0,0,0|1,0,0]=2 135 B9R0.47 CCSCC[C@H](N)C(=O)O 30126 [0,1,0,0,0,0|2,0,0]=3 136 B9R0.47 NCCCC[C@H](N)C(=O)O 23029 [0,1,0,0,0,0|2,0,0]=3 137 B9R0.47 NCCCC[C@H](N)C(=O)O 26700 [0,1,0,0,0,0|2,0,0]=3 138 B9R0.47 NCCCC[C@H](N)C(=O)O 70041 [0,1,0,0,0,0|2,0,0]=3 139 B9R0.47 NCCCC[C@H](N)C(=O)O AC7885 [0,1,0,0,0,0|2,0,0]=3 140 B9R0.47 NCCCC[C@H](N)C(=O)O D70557 [0,1,0,0,0,0|2,0,0]=3 141 B9R0.47 NCCCC[C@H](N)C(=O)O D70613 [0,1,0,0,0,0|2,0,0]=3 142 B9R0.47 NCCCC[C@H](N)C(=O)O F11082 [0,1,0,0,0,0|2,0,0]=3 143 B9R0.47 NCCCC[C@H](N)C(=O)O FD20004 [0,1,0,0,0,0|2,0,0]=3 144 B9R0.47 NCCCC[C@H](N)C(=O)O S10365 [0,1,0,0,0,0|2,0,0]=3 145 B9R0.47 NCCCC[C@H](N)C(N)=O F10910 [0,1,0,0,0,0|2,0,0]=3 146 B9R0.48 CCOC(=O)CCC(=O)Cl 75812 [0,1,0,0,0,0|2,0,1]=4 147 B9R0.48 CCOC(=O)CCC(=O)O O11227 [0,1,0,0,0,0|2,0,1]=4 148 B9R0.48 CCOC(=O)CCC(C)=O D77713 [0,1,0,0,0,0|1,0,1]=3 149 B9R0.48 CCOC(=O)CCC(N)=O 59592 [0,1,0,0,0,0|2,0,1]=4 150 B9R0.48 CCOC(=O)CNC(C)=O C10387 [0,1,0,0,0,0|2,0,1]=4 151 B9R0.55 CC(=O)CCCCC(=O)O AT14509 [0,1,0,0,0,0|1,0,1]=3 152 B9R0.55 CC(=O)NCCCC(=O)O D87839 [0,1,0,0,0,0|2,0,1]=4 153 B9R0.55 CC(=O)NCCCN(C)C AC5885 [0,1,0,0,0,0|2,0,0]=3 154 B9R0.55 CN(C)CCCCC(=O)O 29149 [0,1,0,0,0,0|2,0,0]=3 155 B9R0.55 CN(C)CCCCC(=O)O 31841 [0,1,0,0,0,0|2,0,0]=3 156 B9R0.55 CN(C)CCCCN(C)C D94769 [0,1,0,0,0,0|3,0,0]=4 157 B9R0.55 NC(=O)CCCCC(N)=O W18552 [0,1,0,0,0,0|2,0,1]=4 158 B9R0.55 O=C(Cl)CCCCC(=O)Cl D95337 [0,1,0,0,0,0|2,0,1]=4 159 B9R0.55 O=C(O)CCCCC(=O)O D70505 [0,1,0,0,0,0|2,0,1]=4 160 B9R0.55 O=C([O-])CCCCC(=O)[O-] D88288 [0,1,0,0,0,0|2,0,1]=4 161 B9R1.2 CCN1CCC[C@H](O)C1 77860 [0,0,0,1,0,0|1,0,2]=4 162 B9R1.2 CN1CCC[C@H](CN)C1 24105 [0,0,0,1,0,0|3,0,0]=4 163 B9R1.2 CN1CCC[C@H](CN)C1 37195 [0,0,0,1,0,0|3,0,0]=4 164 B9R1.2 CN1CCC[C@H](CO)C1 39295 [0,0,0,1,0,0|3,0,0]=4 165 B9R1.2 CN1CCC[C@H](CO)C1 P11005 [0,0,0,1,0,0|3,0,0]=4 166 B9R1.2 CN1CCC[C@H](CO)C1 P11006 [0,0,0,1,0,0|3,0,0]=4 167 B9R1.2 CNC1CCCC(O)C1 AB7429 [0,0,0,1,0,0|1,0,2]=4 168 B9R1.2 NCC1CCCC(O)C1 31886 [0,0,0,1,0,0|1,0,2]=4 169 B9R1.6 CC(=O)C1CCCCC1 P10040 [0,0,0,1,0,0|0,0,0]=1 170 B9R1.6 CC(=O)C1CCNCC1 25527 [0,0,0,1,0,0|1,0,0]=2 171 B9R1.6 CC(=O)C1CCOCC1 53199 [0,0,0,1,0,0|1,0,0]=2 172 B9R1.6 CC(=O)N1CCCCC1 S12042 [0,0,0,1,0,0|1,0,0]=2 173 B9R1.6 CC(=O)N1CCNCC1 75167 [0,0,0,1,0,0|2,0,0]=3 174 B9R1.6 CC(=O)N1CCOCC1 C10101 [0,0,0,1,0,0|2,0,0]=3 175 B9R1.6 CC(=O)[C@@H]1CCCCN1 W15841 [0,0,0,1,0,0|1,0,0]=2 176 B9R1.6 CN(C)C1CCNCC1 34424 [0,0,0,1,0,0|3,0,0]=4 177 B9R1.6 CN(C)C1CCNCC1 60162 [0,0,0,1,0,0|3,0,0]=4 178 B9R1.6 CN(C)C1CCNCC1 D82405 [0,0,0,1,0,0|3,0,0]=4 179 B9R1.6 CN(C)[C@H]1CCCNC1 F10905 [0,0,0,1,0,0|3,0,0]=4 180 B9R1.6 C[C@H](N)C1CCCCC1 79906 [0,0,0,1,0,0|1,0,1]=3 181 B9R1.6 C[C@H](N)C1CCCCC1 79909 [0,0,0,1,0,0|1,0,1]=3 182 B9R1.6 C[C@H](N)C1CCCCC1 N12504 [0,0,0,1,0,0|1,0,1]=3 183 B9R1.6 C[C@H](O)C1CCCCC1 F11489 [0,0,0,1,0,0|0,0,2]=3 184 B9R1.6 C[C@H](O)C1CCNCC1 AC1242 [0,0,0,1,0,0|1,0,2]=4 185 B9R1.6 N=C(N)C1CCCCC1 F20883 [0,0,0,1,0,0|2,0,0]=3 186 B9R1.6 NC(=O)C1CCCCC1 78531 [0,0,0,1,0,0|1,0,0]=2 187 B9R1.6 NC(=O)C1CCNCC1 39421 [0,0,0,1,0,0|2,0,0]=3 188 B9R1.6 NC(=O)C1CCOCC1 BL008091 [0,0,0,1,0,0|2,0,0]=3 189 B9R1.6 NC(=O)N1CCNCC1 C15836 [0,0,0,1,0,0|3,0,0]=4 190 B9R1.6 NC(=O)[C@@H]1CCCCN1 39419 [0,0,0,1,0,0|2,0,0]=3 191 B9R1.6 NC(=O)[C@@H]1CNCCO1 W13721 [0,0,0,1,0,0|3,0,0]=4 192 B9R1.6 NC(=O)[C@H]1CCCNC1 34666 [0,0,0,1,0,0|2,0,0]=3 193 B9R1.6 NC(=O)[C@H]1CCCNC1 37192 [0,0,0,1,0,0|2,0,0]=3 194 B9R1.6 NC(=O)[C@H]1CCCNC1 AB2972 [0,0,0,1,0,0|2,0,0]=3 195 B9R1.6 NC(=S)C1CCNCC1 D95075 [0,0,0,1,0,0|2,1,0]=4 196 B9R1.6 O=C(Cl)C1CCOCC1 F12379 [0,0,0,1,0,0|2,0,0]=3 197 B9R1.6 O=C(Cl)N1CCCCC1 F14628 [0,0,0,1,0,0|2,0,0]=3 198 B9R1.6 O=C(Cl)N1CCOCC1 FD10526 [0,0,0,1,0,0|3,0,0]=4 199 B9R1.6 O=C(O)C1=CCCCC1 22410 [0,0,0,1,0,0|1,0,2]=4 200 B9R1.6 O=C(O)C1CCCCC1 P17799 [0,0,0,1,0,0|1,0,0]=2 201 B9R1.6 O=C(O)C1CCNCC1 AB2970 [0,0,0,1,0,0|2,0,0]=3 202 B9R1.6 O=C(O)C1CCNCC1 O12044 [0,0,0,1,0,0|2,0,0]=3 203 B9R1.6 O=C(O)C1CCOCC1 66534 [0,0,0,1,0,0|2,0,0]=3 204 B9R1.6 O=C(O)[C@@H]1CC=CCC1 38226 [0,0,0,1,0,0|1,0,2]=4 205 B9R1.6 O=C(O)[C@@H]1CC=CCC1 77785 [0,0,0,1,0,0|1,0,2]=4 206 B9R1.6 O=C(O)[C@@H]1CC=CCC1 F11249 [0,0,0,1,0,0|1,0,2]=4 207 B9R1.6 O=C(O)[C@@H]1CCCCN1 24951 [0,0,0,1,0,0|2,0,0]=3 208 B9R1.6 O=C(O)[C@@H]1CCCCN1 39420 [0,0,0,1,0,0|2,0,0]=3 209 B9R1.6 O=C(O)[C@@H]1CCCCN1 65236 [0,0,0,1,0,0|2,0,0]=3 210 B9R1.6 O=C(O)[C@@H]1CCCCN1 69549 [0,0,0,1,0,0|2,0,0]=3 211 B9R1.6 O=C(O)[C@@H]1CCCCN1 69551 [0,0,0,1,0,0|2,0,0]=3 212 B9R1.6 O=C(O)[C@@H]1CCCCN1 78208 [0,0,0,1,0,0|2,0,0]=3 213 B9R1.6 O=C(O)[C@@H]1CCCCO1 29454 [0,0,0,1,0,0|2,0,0]=3 214 B9R1.6 O=C(O)[C@@H]1CNCCN1 65130 [0,0,0,1,0,0|3,0,0]=4 215 B9R1.6 O=C(O)[C@@H]1CNCCN1 65131 [0,0,0,1,0,0|3,0,0]=4 216 B9R1.6 O=C(O)[C@@H]1CNCCN1 65134 [0,0,0,1,0,0|3,0,0]=4 217 B9R1.6 O=C(O)[C@@H]1CNCCN1 65232 [0,0,0,1,0,0|3,0,0]=4 218 B9R1.6 O=C(O)[C@@H]1CNCCO1 29628 [0,0,0,1,0,0|3,0,0]=4 219 B9R1.6 O=C(O)[C@@H]1CNCCO1 50551 [0,0,0,1,0,0|3,0,0]=4 220 B9R1.6 O=C(O)[C@@H]1COCCN1 25382 [0,0,0,1,0,0|3,0,0]=4 221 B9R1.6 O=C(O)[C@@H]1COCCN1 36698 [0,0,0,1,0,0|3,0,0]=4 222 B9R1.6 O=C(O)[C@@H]1COCCN1 63498 [0,0,0,1,0,0|3,0,0]=4 223 B9R1.6 O=C(O)[C@@H]1COCCO1 F16389 [0,0,0,1,0,0|3,0,0]=4 224 B9R1.6 O=C(O)[C@@H]1CSCCN1 66698 [0,0,0,1,0,0|3,0,0]=4 225 B9R1.6 O=C(O)[C@H]1CCCNC1 24456 [0,0,0,1,0,0|2,0,0]=3 226 B9R1.6 O=C(O)[C@H]1CCCNC1 29863 [0,0,0,1,0,0|2,0,0]=3 227 B9R1.6 O=C(O)[C@H]1CCCNC1 64551 [0,0,0,1,0,0|2,0,0]=3 228 B9R1.6 O=C(O)[C@H]1CCCNC1 64552 [0,0,0,1,0,0|2,0,0]=3 229 B9R1.6 O=C(O)[C@H]1CCCNC1 64555 [0,0,0,1,0,0|2,0,0]=3 230 B9R1.6 O=C(O)[C@H]1CCCOC1 85695 [0,0,0,1,0,0|2,0,0]=3 231 B9R1.6 O=[N+]([O-])C1CCCCC1 F17587 [0,0,0,1,0,0|2,0,0]=3 232 B9R1.6 OB(O)C1CCCCC1 33988 [0,0,0,1,0,0|2,0,1]=4 233 B9R1.7 CCCC1=CC(=O)OC1 E70333 [0,0,0,1,0,0|1,0,2]=4 234 B9R1.7 CCC[C@@H]1CNC(=O)C1 W17994 [0,0,0,1,0,0|1,0,0]=2 235 B9R1.7 CCC[C@H]1CCC(=O)O1 D90888 [0,0,0,1,0,0|1,0,0]=2 236 B9R1.13 CC(=O)NC1CCCC1 20635 [0,0,0,1,0,0|1,0,0]=2 237 B9R1.13 CC(=O)N[C@H]1CCNC1 50520 [0,0,0,1,0,0|2,0,0]=3 238 B9R1.13 CC(=O)N[C@H]1CCNC1 P16272 [0,0,0,1,0,0|2,0,0]=3 239 B9R1.13 CC(C)C[C@H]1CCCN1 AR1079 [0,0,0,1,0,0|2,0,1]=4 240 B9R1.13 CN(C)C[C@H]1CCCN1 P12171 [0,0,0,1,0,0|3,0,0]=4 241 B9R1.13 O=C(Cl)OC1CCCC1 35687 [0,0,0,1,0,0|2,0,0]=3 242 B9R1.13 O=C(O)CC1CCCC1 70862 [0,0,0,1,0,0|1,0,0]=2 243 B9R1.13 O=C(O)CN1CCCC1 71481 [0,0,0,1,0,0|2,0,0]=3 244 B9R1.13 O=C(O)CN1CCCC1 F21166 [0,0,0,1,0,0|2,0,0]=3 245 B9R1.13 O=C(O)C[C@H]1CCCN1 22918 [0,0,0,1,0,0|2,0,0]=3 246 B9R1.13 O=C(O)C[C@H]1CCCN1 62961 [0,0,0,1,0,0|2,0,0]=3 247 B9R1.13 O=C(O)C[C@H]1CCNC1 37360 [0,0,0,1,0,0|2,0,0]=3 248 B9R1.13 O=C(O)C[C@H]1CCNC1 50101 [0,0,0,1,0,0|2,0,0]=3 249 B9R1.13 O=C(O)C[C@H]1CCNC1 65588 [0,0,0,1,0,0|2,0,0]=3 250 B9R1.13 O=C(O)C[C@H]1CCOC1 25150 [0,0,0,1,0,0|2,0,0]=3 251 B9R1.41 CC(=O)N1CCCC1=O H11367 [0,0,0,1,0,0|2,0,1]=4 252 B9R1.41 CC(=O)[C@@H]1CCOC1=O S12358 [0,0,0,1,0,0|2,0,1]=4 253 B9R1.41 CC1CCCC1C(=O)O 33416 [0,0,0,1,0,0|1,0,0]=2 254 B9R1.41 CN1CCC[C@H]1C(=O)O 28869 [0,0,0,1,0,0|2,0,0]=3 255 B9R1.41 CN1CCC[C@H]1C(=O)O 32214 [0,0,0,1,0,0|2,0,0]=3 256 B9R1.41 CN1CCC[C@H]1C(=O)O 32659 [0,0,0,1,0,0|2,0,0]=3 257 B9R1.41 CN1CCC[C@H]1C(=O)O 35836 [0,0,0,1,0,0|2,0,0]=3 258 B9R1.41 CN1CCC[C@H]1C(=O)O 74862 [0,0,0,1,0,0|2,0,0]=3 259 B9R1.41 CN1CCC[C@H]1C(=O)O 93283 [0,0,0,1,0,0|2,0,0]=3 260 B9R1.41 CN1CCC[C@H]1C(N)=O D83037 [0,0,0,1,0,0|2,0,0]=3 261 B9R1.41 CN1CCC[C@H]1C(N)=O P20756 [0,0,0,1,0,0|2,0,0]=3 262 B9R1.41 NC1CCCC1C(=O)O D94461 [0,0,0,1,0,0|2,0,0]=3 263 B9R1.48 O=C1CCCCC(=O)C1 35108 [0,0,0,1,0,0|1,0,1]=3 264 B9R1.48 O=C1CCCCC(=O)O1 F20518 [0,0,0,1,0,0|2,0,1]=4 265 B9R1.48 O=C1CCCCC(=S)N1 D95361 [0,0,0,1,0,0|2,0,1]=4 266 B9R1.50 NC1CCCCCCC1 D89372 [0,0,0,1,0,0|1,0,1]=3 267 B9R1.50 O=C1CCCCCCC1 78195 [0,0,0,1,0,0|0,0,0]=1 268 B9R1.50 O=C1CCCCCCN1 35268 [0,0,0,1,0,0|1,0,0]=2 269 B9R1.50 O=C1CCCCCCO1 D94278 [0,0,0,1,0,0|1,0,0]=2 270 B9R1.50 OC1CCCCCCC1 D89280 [0,0,0,1,0,0|0,0,2]=3 271 B9R1.83 CCCCCC[C@H]1CO1 F20386 [0,0,0,1,0,0|0,0,2]=3 272 B9R1.148 CC1(O)CCCCCC1 D93172 [0,0,0,1,0,0|0,0,2]=3 273 B9R1.148 C[C@]1(O)CCCNCC1 37168 [0,0,0,1,0,0|1,0,2]=4 274 B6R0.6 BrCCCCCBr D70772 [2,0,0,0,0,0|2,0,0]=4 275 B6R0.6 C=CCCCCBr F14895 [2,0,0,0,0,0|1,0,1]=4 276 B6R0.6 C=CCCCCCl N11935 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.6 C=CCCCCO 35574 [2,0,0,0,0,0|1,0,1]=4 278 B6R0.6 CCCC=CC=O D78252 [2,0,0,0,0,0|0,0,2]=4 279 B6R0.6 CCCCCCI F20355 [2,0,0,0,0,0|1,0,0]=3 280 B6R0.6 CCCCCCN F19564 [2,0,0,0,0,0|1,0,0]=3 281 B6R0.6 CCCCCNC D91584 [2,0,0,0,0,0|1,0,0]=3 282 B6R0.6 CCCNCCC D89745 [2,0,0,0,0,0|1,0,0]=3 283 B6R0.6 CCCNCCO C10761 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.6 CCCOCCCl H10822 [2,0,0,0,0,0|2,0,0]=4 285 B6R0.6 CCNCCCN D82016 [2,0,0,0,0,0|2,0,0]=4 286 B6R0.6 CCNCCCO 31655 [2,0,0,0,0,0|1,0,1]=4 287 B6R0.6 CCNCCOC H11999 [2,0,0,0,0,0|2,0,0]=4 288 B6R0.6 CCOCCCCl D95770 [2,0,0,0,0,0|2,0,0]=4 289 B6R0.6 CCOCCCO D95933 [2,0,0,0,0,0|1,0,1]=4 290 B6R0.6 CNCCCCO F10210 [2,0,0,0,0,0|1,0,1]=4 291 B6R0.6 COCCCCBr F13727 [2,0,0,0,0,0|2,0,0]=4 292 B6R0.6 COCCCCCl 28715 [2,0,0,0,0,0|2,0,0]=4 293 B6R0.6 COCCCCO D78159 [2,0,0,0,0,0|1,0,1]=4 294 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [2,0,0,0,0,0|2,0,0]=4 295 B6R0.6 ClCCCCCBr S10881 [2,0,0,0,0,0|2,0,0]=4 296 B6R0.6 ClCCCCCI A10955 [2,0,0,0,0,0|2,0,0]=4 297 B6R0.6 FCCCCCBr 24471 [2,0,0,0,0,0|2,0,0]=4 298 B6R0.6 ICCCCCI P10001 [2,0,0,0,0,0|2,0,0]=4 299 B6R0.6 NCCCCCN D83408 [2,0,0,0,0,0|2,0,0]=4 300 B6R0.6 NCCCCCO I11482 [2,0,0,0,0,0|1,0,1]=4 301 B6R0.6 O=CCCCCCl C10094 [2,0,0,0,0,0|1,0,0]=3 302 B6R0.6 O=CCCCCO F19841 [2,0,0,0,0,0|1,0,0]=3 303 B6R0.6 OCCCCCBr 23140 [2,0,0,0,0,0|1,0,1]=4 304 B6R0.6 OCCCCCCl O11412 [2,0,0,0,0,0|1,0,1]=4 305 B6R0.6 SCCCCCS D92137 [2,0,0,0,0,0|1,1,0]=4 306 B6R0.4 C=C(C)CNCC D95542 [2,0,0,0,0,0|2,0,0]=4 307 B6R0.4 CC(=O)CCCCl D77754 [2,0,0,0,0,0|1,0,0]=3 308 B6R0.4 CC(=O)CCCO 24602 [2,0,0,0,0,0|1,0,0]=3 309 B6R0.4 CC(=O)NCCN D70867 [2,0,0,0,0,0|2,0,0]=4 310 B6R0.4 CC(=O)NCCO FD10637 [2,0,0,0,0,0|2,0,0]=4 311 B6R0.4 CC(=O)NCCS AT13754 [2,0,0,0,0,0|2,0,0]=4 312 B6R0.4 CC(=O)OCCBr C10198 [2,0,0,0,0,0|2,0,0]=4 313 B6R0.4 CC(=O)OCCCl D88201 [2,0,0,0,0,0|2,0,0]=4 314 B6R0.4 CC(=O)OCCO D88371 [2,0,0,0,0,0|2,0,0]=4 315 B6R0.4 CCCCC(=N)N 31933 [2,0,0,0,0,0|2,0,0]=4 316 B6R0.4 CCCCC(=N)N W16181 [2,0,0,0,0,0|2,0,0]=4 317 B6R0.4 CCCCC(=O)[O-] F16484 [2,0,0,0,0,0|1,0,0]=3 318 B6R0.4 CCCCC(N)=O A10835 [2,0,0,0,0,0|1,0,0]=3 319 B6R0.4 CCCNC(C)=O D97464 [2,0,0,0,0,0|1,0,0]=3 320 B6R0.4 CCCOC(N)=O F16337 [2,0,0,0,0,0|2,0,0]=4 321 B6R0.4 CCCSC(C)=O D92148 [2,0,0,0,0,0|1,0,0]=3 322 B6R0.4 CCSCC(=O)O D95699 [2,0,0,0,0,0|2,0,0]=4 323 B6R0.4 CNCCC(=O)O 29150 [2,0,0,0,0,0|2,0,0]=4 324 B6R0.4 CNCCC(=O)O C76064 [2,0,0,0,0,0|2,0,0]=4 325 B6R0.4 COCCC(=O)O F14687 [2,0,0,0,0,0|2,0,0]=4 326 B6R0.4 CSCCC(=O)O D87669 [2,0,0,0,0,0|2,0,0]=4 327 B6R0.4 CSCCC(C)=O D91573 [2,0,0,0,0,0|1,0,0]=3 328 B6R0.4 CSCOC(C)=O D88428 [2,0,0,0,0,0|2,0,0]=4 329 B6R0.4 NCCCC(=O)O D70585 [2,0,0,0,0,0|2,0,0]=4 330 B6R0.4 O=C(Cl)CCCBr P19996 [2,0,0,0,0,0|2,0,0]=4 331 B6R0.4 O=C(O)CCCBr 20498 [2,0,0,0,0,0|2,0,0]=4 332 B6R0.4 O=C(O)CCCCl F19286 [2,0,0,0,0,0|2,0,0]=4 333 B6R0.4 O=C(O)CCCS F20547 [2,0,0,0,0,0|2,0,0]=4 334 B8R0.4 BrCCCCCCCBr H11758 [1,1,0,0,0,0|1,0,1]=4 335 B8R0.4 C#CCCCCCCO 85580 [1,1,0,0,0,0|0,0,2]=4 336 B8R0.4 C=CCCCCCCBr 78390 [1,1,0,0,0,0|0,0,1]=3 337 B8R0.4 C=CCCCCCCCl I11995 [1,1,0,0,0,0|0,0,1]=3 338 B8R0.4 CCCCCCCCCl D97411 [1,1,0,0,0,0|0,0,1]=3 339 B8R0.4 CCCCCCCCI W18672 [1,1,0,0,0,0|0,0,1]=3 340 B8R0.4 CCCCCCCCN D91873 [1,1,0,0,0,0|0,0,1]=3 341 B8R0.4 CCCCCCCCN D91878 [1,1,0,0,0,0|0,0,1]=3 342 B8R0.4 CCCCCCCNC D82019 [1,1,0,0,0,0|0,0,1]=3 343 B8R0.4 CCCCCCN=C=S D95721 [1,1,0,0,0,0|0,1,1]=4 344 B8R0.4 CCCCC\C=C\C=O D91827 [1,1,0,0,0,0|0,0,1]=3 345 B8R0.4 CCCCC\C=C\CO D91843 [1,1,0,0,0,0|0,0,1]=3 346 B8R0.4 CCCCOCCC#N AC1754 [1,1,0,0,0,0|1,0,1]=4 347 B8R0.4 CCCCOCCOC A11001 [1,1,0,0,0,0|1,0,0]=3 348 B8R0.4 CCCC[SnH4+2]CCCC D95293 [1,1,0,0,0,0|0,0,1]=3 349 B8R0.4 CCCC[SnH4+2]CCCC D95356 [1,1,0,0,0,0|0,0,1]=3 350 B8R0.4 CC\C=C/CCOC=O D95718 [1,1,0,0,0,0|0,0,2]=4 351 B8R0.4 COCCNCCOC F11888 [1,1,0,0,0,0|2,0,0]=4 352 B8R0.4 COCCOCCCBr S10711 [1,1,0,0,0,0|2,0,0]=4 353 B8R0.4 COCCOCCCN A10954 [1,1,0,0,0,0|2,0,0]=4 354 B8R0.4 COCCOCCOC D80970 [1,1,0,0,0,0|2,0,0]=4 355 B8R0.4 NCCCCCCCN O11823 [1,1,0,0,0,0|1,0,1]=4 356 B8R0.4 OCCCCCCCBr 34162 [1,1,0,0,0,0|0,0,2]=4 357 B8R0.4 OCCCCCCCCl D97219 [1,1,0,0,0,0|0,0,2]=4 358 B8R0.4 OCCCCCCCO H10510 [1,1,0,0,0,0|0,0,2]=4 359 B8R0.6 C=CC(=O)CCCCC D71008 [1,1,0,0,0,0|0,0,2]=4 360 B8R0.6 C=C[C@@H](O)CCCCC D91822 [1,1,0,0,0,0|0,0,1]=3 361 B8R0.6 CCCCC[C@@H](O)CC D78240 [1,1,0,0,0,0|0,0,1]=3 362 B8R0.5 CCS[C@@H](C)CC(=O)O D80779 [1,1,0,0,0,0|2,0,0]=4 363 B8R0.8 CCCC[C@H](Br)C(=O)O H11951 [1,1,0,0,0,0|1,0,0]=3 364 B8R0.8 CCCC[C@H](C)C(=O)O D91409 [1,1,0,0,0,0|1,0,0]=3 365 B8R0.8 CCCC[C@H](N)C(=O)O 73275 [1,1,0,0,0,0|1,0,0]=3 366 B8R0.8 CCCC[C@H](N)C(=O)O FD3031 [1,1,0,0,0,0|1,0,0]=3 367 B8R0.8 CCCC[C@H](N)C(=O)O FD3085 [1,1,0,0,0,0|1,0,0]=3 368 B8R0.8 CSCCC(O)C(=O)[O-] A51087 [1,1,0,0,0,0|2,0,0]=4 369 B8R0.8 CSCC[C@H](N)C(=O)O 30742 [1,1,0,0,0,0|2,0,0]=4 370 B8R0.8 CSCC[C@H](N)C(=O)O D70895 [1,1,0,0,0,0|2,0,0]=4 371 B8R0.8 CSCC[C@H](N)C(=O)O D72471 [1,1,0,0,0,0|2,0,0]=4 372 B8R0.8 CSCC[C@H](N)C(=O)[O-] D70450 [1,1,0,0,0,0|2,0,0]=4 373 B8R0.8 CSCC[C@H](N)C(N)=O F10669 [1,1,0,0,0,0|2,0,0]=4 374 B8R0.8 CSCC[C@H](O)C(=O)O H11809 [1,1,0,0,0,0|2,0,0]=4 375 B8R0.8 C[Se]CC[C@H](N)C(=O)O D92258 [1,1,0,0,0,0|2,0,0]=4 376 B8R0.8 NCCC[C@H](N)C(=O)O 28202 [1,1,0,0,0,0|2,0,0]=4 377 B8R0.8 NCCC[C@H](N)C(=O)O 28697 [1,1,0,0,0,0|2,0,0]=4 378 B8R0.8 NCCC[C@H](N)C(=O)O AC1496 [1,1,0,0,0,0|2,0,0]=4 379 B8R0.8 NCCC[C@H](N)C(=O)O D70545 [1,1,0,0,0,0|2,0,0]=4 380 B8R0.8 NCCC[C@H](N)C(=O)O D91796 [1,1,0,0,0,0|2,0,0]=4 381 B8R0.8 NCCC[C@H](N)C(=O)O F17224 [1,1,0,0,0,0|2,0,0]=4 382 B8R0.9 CC(=O)OC[C@H](C)CBr AB6423 [1,1,0,0,0,0|2,0,0]=4 383 B8R0.9 CC(=O)OC[C@H](O)CCl CS1164 [1,1,0,0,0,0|2,0,0]=4 384 B8R0.9 CCC(=O)CCC(=O)O D93322 [1,1,0,0,0,0|1,0,1]=4 385 B8R0.9 COC(=O)CCC(C)=O H11992 [1,1,0,0,0,0|1,0,1]=4 386 B8R0.21 CCCCCS(=O)(=O)[O-] F10023 [1,1,0,0,0,0|2,0,0]=4 387 B8R0.21 CCCCCS(=O)(=O)[O-] F10035 [1,1,0,0,0,0|2,0,0]=4 388 B8R0.21 CCCCOS(C)(=O)=O A10593 [1,1,0,0,0,0|2,0,0]=4 389 B8R0.28 CC(=O)CCC=C(C)C D77716 [1,1,0,0,0,0|0,0,2]=4 390 B8R0.28 CC(=O)CCCC(=O)O TD8115 [1,1,0,0,0,0|1,0,1]=4 391 B8R0.28 CC(=O)CCCC(C)C D81757 [1,1,0,0,0,0|0,0,0]=2 392 B8R0.28 CC(=O)CCOC(C)=O D84229 [1,1,0,0,0,0|1,0,1]=4 393 B8R0.28 CC(=O)OCCN(C)C D88355 [1,1,0,0,0,0|2,0,0]=4 394 B8R0.28 CC(C)COCC(=O)O D79193 [1,1,0,0,0,0|2,0,0]=4 395 B8R0.28 CN(C)CCCC(=O)O F14882 [1,1,0,0,0,0|2,0,0]=4 396 B10R0.3 CC(C)=CCC[C@H](C)CCO F16553 [0,2,0,0,0,0|1,0,1]=4 397 B10R0.3 CC(C)CCC[C@H](C)CCBr AB6389 [0,2,0,0,0,0|1,0,1]=4 398 B10R0.3 CC(C)CCC[C@H](C)CCN AB7060 [0,2,0,0,0,0|1,0,1]=4 399 B10R0.3 CCCC(=O)CCCC(=O)O D93029 [0,2,0,0,0,0|1,0,0]=3 400 B10R0.3 CCC[C@H](S)CCOC(C)=O D91605 [0,2,0,0,0,0|0,0,0]=2 401 B10R0.3 CCOC(=O)CCCC(=O)Cl D90519 [0,2,0,0,0,0|1,0,1]=4 402 B10R0.3 CCOC(=O)CCCC(=O)O 73291 [0,2,0,0,0,0|1,0,1]=4 403 B10R0.3 CCOC(=O)CCCC(C)=O 95732 [0,2,0,0,0,0|0,0,1]=3 404 B10R0.65 CC[C@](C)(O)CCCC(C)C D78122 [0,2,0,0,0,0|1,0,1]=4 405 B10R0.77 CCN(CC)CCCC(C)=O F16219 [0,2,0,0,0,0|1,0,0]=3 406 B10R0.98 CC(=O)OCC[C@H](Cl)C(C)=O F10298 [0,2,0,0,0,0|1,0,1]=4 407 B10R0.4 C=CCCCCCCC(=O)O I11998 [0,2,0,0,0,0|1,0,0]=3 408 B10R0.4 CCCCCCCCC(=O)Cl D91690 [0,2,0,0,0,0|1,0,0]=3 409 B10R0.4 CCCCCCCCC(=O)[O-] D91669 [0,2,0,0,0,0|1,0,0]=3 410 B10R0.4 CCCCCCCCC(C)=O D89897 [0,2,0,0,0,0|0,0,0]=2 411 B10R0.4 CCCCCCCOC(=O)Cl 62102 [0,2,0,0,0,0|1,0,0]=3 412 B10R0.4 NCCCCCCCC(=O)O 52148 [0,2,0,0,0,0|1,0,0]=3 413 B10R0.4 NCCOCCOCC(=O)O 20975 [0,2,0,0,0,0|2,0,0]=4 414 B10R0.4 NCCOCCOCC(=O)O F15066 [0,2,0,0,0,0|2,0,0]=4 415 B10R0.4 O=C(O)CCCCCCCBr C10414 [0,2,0,0,0,0|1,0,0]=3 416 B10R0.4 O=CCCCCCCC(=O)O D80547 [0,2,0,0,0,0|1,0,0]=3 417 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O AT15139 [0,2,0,0,0,0|2,0,0]=4 418 B10R0.6 COCCOC(=O)CC(C)=O 43944 [0,2,0,0,0,0|1,0,1]=4 419 B10R0.22 CCCCCCCS(=O)(=O)[O-] F10019 [0,2,0,0,0,0|2,0,0]=4 420 B10R0.22 CCCCCCCS(=O)(=O)[O-] F10034 [0,2,0,0,0,0|2,0,0]=4 421 B10R0.22 CCCCCCOS(C)(=O)=O D70753 [0,2,0,0,0,0|1,0,0]=3 422 B10R0.55 COC(=O)CCCCC(=O)Cl D81982 [0,2,0,0,0,0|1,0,1]=4 423 B10R0.55 COC(=O)CCCCC(=O)O O11605 [0,2,0,0,0,0|1,0,1]=4 424 B10R0.74 CCCCCC#CC(=O)OC D70492 [0,2,0,0,0,0|0,0,1]=3 425 B10R0.74 CCCCCCCC(=O)NN 23135 [0,2,0,0,0,0|1,0,0]=3 426 B10R0.74 CCCCCCCC(=O)NO 35665 [0,2,0,0,0,0|1,0,0]=3 427 B10R0.74 CCCCCCCC(=O)NO D89270 [0,2,0,0,0,0|1,0,0]=3 428 B10R0.74 COC(=O)CCCCCCBr F11980 [0,2,0,0,0,0|0,0,0]=2 429 B10R0.74 COC(=O)CCCCCCN 67874 [0,2,0,0,0,0|0,0,0]=2 430 B10R0.75 CCCCCC[C@H](N)C(=O)O C14122 [0,2,0,0,0,0|1,0,0]=3 431 B10R0.75 CCCCCC[C@H](N)C(=O)O D86759 [0,2,0,0,0,0|1,0,0]=3 432 B10R0.75 CCCCCC[C@H](N)C(=O)O S10911 [0,2,0,0,0,0|1,0,0]=3 433 B10R0.75 CCCCCC[C@H](O)C(=O)O D81442 [0,2,0,0,0,0|1,0,0]=3 434 B10R0.75 CNCCCC[C@H](N)C(=O)O F11031 [0,2,0,0,0,0|1,0,0]=3 435 B10R0.75 N[C@@H](CSCCCO)C(=O)O A11344 [0,2,0,0,0,0|2,0,0]=4 436 B10R0.75 O=C(O)C(=O)CCCCCCl D93207 [0,2,0,0,0,0|1,0,1]=4 437 B10R0.78 CCCC[C@H](C)CCC(=O)O D83868 [0,2,0,0,0,0|1,0,0]=3 438 B10R0.78 CCCOC(=O)CCC(C)=O 43143 [0,2,0,0,0,0|0,0,1]=3 439 B10R0.97 CC(=O)CCCCCC(=O)O W15940 [0,2,0,0,0,0|0,0,1]=3 440 B10R0.97 CC(C)CCCCCC(=O)O D93038 [0,2,0,0,0,0|1,0,0]=3 441 B10R0.97 O=C(Cl)CCCCCC(=O)Cl D82050 [0,2,0,0,0,0|1,0,1]=4 442 B10R0.97 O=C(O)CCCCCC(=O)O D70876 [0,2,0,0,0,0|1,0,1]=4 443 B10R0.18 CCCCC(=O)CC(=O)OC H10810 [0,2,0,0,0,0|0,0,1]=3 444 B10R0.18 CCOCC(=O)CC(=O)OC D95601 [0,2,0,0,0,0|1,0,1]=4 445 B10R0.87 CCCC[C@H](CC)CN(C)C D93447 [0,2,0,0,0,0|2,0,0]=4 446 B10R0.96 CC(=O)CC(=O)OCC(C)C D88331 [0,2,0,0,0,0|1,0,1]=4 447 B10R0.1 CCOC(=O)CCCCC=O N10652 [0,2,0,0,0,0|1,0,1]=4 448 B10R0.1 CCOC(=O)CCCCCBr 73728 [0,2,0,0,0,0|1,0,0]=3 449 B10R0.1 CCOC(=O)CCCCCN V10012 [0,2,0,0,0,0|1,0,0]=3 450 B10R0.1 CCOC(=O)CCCCCO A11137 [0,2,0,0,0,0|1,0,0]=3 451 B10R0.1 CCOC(=O)COCCCCl AC8364 [0,2,0,0,0,0|2,0,0]=4 452 B10R0.1 CCOCCOC(=O)CC#N H11292 [0,2,0,0,0,0|2,0,0]=4 453 B10R0.83 COC(=O)[C@@H](N)CCCCN F10815 [0,2,0,0,0,0|1,0,0]=3 454 B10R0.83 COC(=O)[C@@H](N)CCCCN F10989 [0,2,0,0,0,0|1,0,0]=3 455 B10R0.108 CCOC(=O)CCC(=O)OC D93546 [0,2,0,0,0,0|1,0,1]=4 456 B8R1.2 BrCC1CCCCC1 81459 [1,0,0,1,0,0|1,0,1]=4 457 B8R1.2 C#CC1CCCCC1 F16297 [1,0,0,1,0,0|0,0,2]=4 458 B8R1.2 C=CC1CCCCC1 D92778 [1,0,0,1,0,0|0,0,1]=3 459 B8R1.2 CC[C@H]1CCCCN1 D90478 [1,0,0,1,0,0|1,0,1]=4 460 B8R1.2 CC[C@H]1COCCN1 F13094 [1,0,0,1,0,0|2,0,0]=4 461 B8R1.2 CC[C@H]1COCCN1 F17622 [1,0,0,1,0,0|2,0,0]=4 462 B8R1.2 CC[C@H]1COCCN1 FD6007 [1,0,0,1,0,0|2,0,0]=4 463 B8R1.2 CNC1CCOCC1 32360 [1,0,0,1,0,0|2,0,0]=4 464 B8R1.2 CNC1CCOCC1 AB1551 [1,0,0,1,0,0|2,0,0]=4 465 B8R1.2 CN[C@H]1CCCNC1 33739 [1,0,0,1,0,0|2,0,0]=4 466 B8R1.2 COC1CCNCC1 29503 [1,0,0,1,0,0|2,0,0]=4 467 B8R1.2 COC1CCNCC1 30319 [1,0,0,1,0,0|2,0,0]=4 468 B8R1.2 CO[C@H]1CCCNC1 32736 [1,0,0,1,0,0|2,0,0]=4 469 B8R1.2 CO[C@H]1CCCNC1 32744 [1,0,0,1,0,0|2,0,0]=4 470 B8R1.2 CO[C@H]1CCCNC1 37169 [1,0,0,1,0,0|2,0,0]=4 471 B8R1.2 CO[C@H]1CCCNC1 37171 [1,0,0,1,0,0|2,0,0]=4 472 B8R1.2 CO[C@H]1CCCNC1 AB7412 [1,0,0,1,0,0|2,0,0]=4 473 B8R1.2 N#CC1CCCCC1 F14026 [1,0,0,1,0,0|1,0,1]=4 474 B8R1.2 NCC1CCCCC1 FD10556 [1,0,0,1,0,0|1,0,1]=4 475 B8R1.2 NC[C@H]1CCCNC1 51408 [1,0,0,1,0,0|2,0,0]=4 476 B8R1.2 NC[C@H]1CCCNC1 AB01087 [1,0,0,1,0,0|2,0,0]=4 477 B8R1.2 NC[C@H]1CCCOC1 P10450 [1,0,0,1,0,0|2,0,0]=4 478 B8R1.2 NNC1CCCCC1 74084 [1,0,0,1,0,0|2,0,0]=4 479 B8R1.2 NNC1CCCCC1 BL010400 [1,0,0,1,0,0|2,0,0]=4 480 B8R1.2 O=CC1CCCCC1 39466 [1,0,0,1,0,0|0,0,0]=2 481 B8R1.2 O=CC1CCOCC1 61400 [1,0,0,1,0,0|1,0,0]=3 482 B8R1.2 O=CC1CCSCC1 29959 [1,0,0,1,0,0|1,0,0]=3 483 B8R1.2 O=CN1CCNCC1 77876 [1,0,0,1,0,0|2,0,0]=4 484 B8R1.2 O=CN1CCOCC1 S12160 [1,0,0,1,0,0|2,0,0]=4 485 B8R1.2 O=NN1CCCCC1 D92816 [1,0,0,1,0,0|2,0,0]=4 486 B8R1.2 OCC1CCCCC1 73723 [1,0,0,1,0,0|0,0,2]=4 487 B8R1.2 OC[C@@H]1CC=CCC1 AC7844 [1,0,0,1,0,0|1,0,1]=4 488 B8R1.2 OC[C@H]1CCCNC1 20066 [1,0,0,1,0,0|2,0,0]=4 489 B8R1.2 OC[C@H]1CCCNC1 25088 [1,0,0,1,0,0|2,0,0]=4 490 B8R1.2 OC[C@H]1CCCNC1 32724 [1,0,0,1,0,0|2,0,0]=4 491 B8R1.2 ONC1CCCCC1 77599 [1,0,0,1,0,0|1,0,1]=4 492 B8R1.2 ONC1CCCCC1 77600 [1,0,0,1,0,0|1,0,1]=4 493 B8R1.5 CC1=NCCCN1C 67669 [1,0,0,1,0,0|2,0,0]=4 494 B8R1.5 CN1CCCNC1=O F13277 [1,0,0,1,0,0|2,0,0]=4 495 B8R1.5 CN1CCNCC1=O 26900 [1,0,0,1,0,0|2,0,0]=4 496 B8R1.5 CN1CCNCC1=O 37505 [1,0,0,1,0,0|2,0,0]=4 497 B8R1.5 C[C@@H]1NCCNC1=O 20377 [1,0,0,1,0,0|2,0,0]=4 498 B8R1.5 C[C@@H]1NCCNC1=O 20378 [1,0,0,1,0,0|2,0,0]=4 499 B8R1.5 C[C@@H]1NCCNC1=O F31149 [1,0,0,1,0,0|2,0,0]=4 500 B8R1.5 C[C@H]1CCCC[C@@H]1N S11914 [1,0,0,1,0,0|1,0,1]=4 501 B8R1.5 C[C@H]1CCCC[C@H]1C D89702 [1,0,0,1,0,0|0,0,1]=3 502 B8R1.5 C[C@H]1CCCNC1=O P10093 [1,0,0,1,0,0|1,0,0]=3 503 B8R1.5 C[C@H]1CNCCC1=O 63757 [1,0,0,1,0,0|1,0,0]=3 504 B8R1.5 C[C@H]1CNCCC1=O 67436 [1,0,0,1,0,0|1,0,0]=3 505 B8R1.5 C[C@H]1CNCCN1C 38274 [1,0,0,1,0,0|2,0,0]=4 506 B8R1.5 C[C@H]1CNCCN1C P11797 [1,0,0,1,0,0|2,0,0]=4 507 B8R1.5 N[C@H]1CCCNC1=O 23329 [1,0,0,1,0,0|2,0,0]=4 508 B8R1.5 N[C@H]1CCCNC1=O 27952 [1,0,0,1,0,0|2,0,0]=4 509 B8R1.5 N[C@H]1CCCNC1=O 51547 [1,0,0,1,0,0|2,0,0]=4 510 B8R1.5 O=C1CCCCC1=O 57324 [1,0,0,1,0,0|1,0,1]=4 511 B8R1.5 O=C1CCCC[C@@H]1Br 67635 [1,0,0,1,0,0|1,0,0]=3 512 B8R1.5 O=C1CCCC[C@@H]1Cl AC1582 [1,0,0,1,0,0|1,0,0]=3 513 B8R1.5 O=C1CCCC[C@@H]1F W17462 [1,0,0,1,0,0|1,0,0]=3 514 B8R1.5 O=C1CCNC[C@@H]1F 30735 [1,0,0,1,0,0|2,0,0]=4 515 B8R1.5 O=C1CCOC[C@@H]1F SC3231 [1,0,0,1,0,0|2,0,0]=4 516 B8R1.8 CCO[C@H]1CCNC1 31293 [1,0,0,1,0,0|2,0,0]=4 517 B8R1.8 CNC[C@H]1CCCN1 P18037 [1,0,0,1,0,0|2,0,0]=4 518 B8R1.8 CNC[C@H]1CCOC1 P16261 [1,0,0,1,0,0|2,0,0]=4 519 B8R1.8 COC[C@H]1CCCN1 11150 [1,0,0,1,0,0|2,0,0]=4 520 B8R1.8 N#CCC1CCCC1 97394 [1,0,0,1,0,0|1,0,1]=4 521 B8R1.8 NCCC1CCCC1 23538 [1,0,0,1,0,0|1,0,1]=4 522 B8R1.8 OCCC1CCCC1 P10032 [1,0,0,1,0,0|0,0,2]=4 523 B8R1.8 OCC[C@H]1CCNC1 38792 [1,0,0,1,0,0|2,0,0]=4 524 B8R1.10 CCCOC1CNC1 28518 [1,0,0,1,0,0|2,0,0]=4 525 B8R1.11 CCN1CCCC1=O A10865 [1,0,0,1,0,0|1,0,0]=3 526 B8R1.11 CC[C@H]1CCCC1=O D83898 [1,0,0,1,0,0|0,0,0]=2 527 B8R1.11 CN1CCC[C@@H]1CN C74098 [1,0,0,1,0,0|2,0,0]=4 528 B8R1.11 CN1CCC[C@@H]1CN D82178 [1,0,0,1,0,0|2,0,0]=4 529 B8R1.11 CN1CCC[C@@H]1CO 33737 [1,0,0,1,0,0|2,0,0]=4 530 B8R1.11 CN1CCC[C@@H]1CO 33738 [1,0,0,1,0,0|2,0,0]=4 531 B8R1.11 CN1CCC[C@@H]1CO 34380 [1,0,0,1,0,0|2,0,0]=4 532 B8R1.11 N#C[C@H]1CCCC1=O BL000625 [1,0,0,1,0,0|1,0,1]=4 533 B8R1.22 CN1CCCNCC1 63976 [1,0,0,1,0,0|2,0,0]=4 534 B8R1.22 C[C@H]1CCCNCC1 72644 [1,0,0,1,0,0|1,0,1]=4 535 B8R1.22 ClC1CCCCCC1 D81846 [1,0,0,1,0,0|1,0,1]=4 536 B8R1.22 NC1CCCCCC1 F19821 [1,0,0,1,0,0|1,0,1]=4 537 B8R1.22 N[C@H]1CCCCNC1 51061 [1,0,0,1,0,0|2,0,0]=4 538 B8R1.22 N[C@H]1CCCCNC1 51996 [1,0,0,1,0,0|2,0,0]=4 539 B8R1.22 N[C@H]1CCCCNC1 A56046 [1,0,0,1,0,0|2,0,0]=4 540 B8R1.22 O=C1C=CCCCC1 S10329 [1,0,0,1,0,0|0,0,2]=4 541 B8R1.22 O=C1CCCCCN1 D70254 [1,0,0,1,0,0|1,0,0]=3 542 B8R1.22 O=C1CCCCCO1 D70255 [1,0,0,1,0,0|1,0,0]=3 543 B8R1.22 O=C1CCCNCC1 VT1100 [1,0,0,1,0,0|1,0,0]=3 544 B8R1.22 O=C1CCNCCN1 23498 [1,0,0,1,0,0|2,0,0]=4 545 B8R1.22 O=C1CCOCCN1 F13212 [1,0,0,1,0,0|2,0,0]=4 546 B8R1.22 O=C1CCSCCN1 W16383 [1,0,0,1,0,0|2,0,0]=4 547 B8R1.22 O=C1CNCCCN1 71619 [1,0,0,1,0,0|2,0,0]=4 548 B8R1.22 O=C1CNCCCN1 86465 [1,0,0,1,0,0|2,0,0]=4 549 B8R1.22 OC1CCCCCC1 D89285 [1,0,0,1,0,0|0,0,2]=4 550 B8R1.49 C1=CCCCCCC1 D89499 [1,0,0,1,0,0|0,0,1]=3 551 B8R1.1 CC[C@H]1CCC(=O)O1 AC2069 [1,0,0,1,0,0|1,0,0]=3 552 B8R1.1 N#C[C@H]1CCC(=O)C1 72729 [1,0,0,1,0,0|1,0,1]=4 553 B8R1.1 NC[C@H]1CCC(=O)N1 29046 [1,0,0,1,0,0|2,0,0]=4 554 B8R1.1 O=C1CC[C@H](CBr)N1 54799 [1,0,0,1,0,0|2,0,0]=4 555 B8R1.1 O=C1CC[C@H](CBr)N1 FD1199 [1,0,0,1,0,0|2,0,0]=4 556 B8R1.1 O=C1CC[C@H](CO)N1 65450 [1,0,0,1,0,0|2,0,0]=4 557 B8R1.1 O=C1CC[C@H](CO)N1 65451 [1,0,0,1,0,0|2,0,0]=4 558 B8R1.1 O=C1CC[C@H](CO)N1 78078 [1,0,0,1,0,0|2,0,0]=4 559 B8R1.1 O=C1CC[C@H](CO)O1 60100 [1,0,0,1,0,0|2,0,0]=4 560 B8R1.1 O=C1CC[C@H](CO)O1 60102 [1,0,0,1,0,0|2,0,0]=4 561 B8R1.4 CC1=CC(=O)CCC1 S10448 [1,0,0,1,0,0|0,0,2]=4 562 B8R1.4 CC1CCCC(C)N1 F10355 [1,0,0,1,0,0|1,0,1]=4 563 B8R1.4 CC1CCCC(N)C1 33432 [1,0,0,1,0,0|1,0,1]=4 564 B8R1.4 CN1CCCC(=O)C1 25967 [1,0,0,1,0,0|1,0,0]=3 565 B8R1.4 CN1CCNC(=O)C1 23552 [1,0,0,1,0,0|2,0,0]=4 566 B8R1.4 CN1CCOC(=O)C1 70849 [1,0,0,1,0,0|2,0,0]=4 567 B8R1.4 C[C@H]1CC(=O)CCN1 55931 [1,0,0,1,0,0|1,0,0]=3 568 B8R1.4 C[C@H]1CCCC(=O)C1 33413 [1,0,0,1,0,0|0,0,0]=2 569 B8R1.4 C[C@H]1CCCC(=O)N1 P10077 [1,0,0,1,0,0|1,0,0]=3 570 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [1,0,0,1,0,0|1,0,0]=3 571 B8R1.4 C[C@H]1COCC(=O)N1 88852 [1,0,0,1,0,0|2,0,0]=4 572 B8R1.4 C[C@H]1COCC(=O)N1 88853 [1,0,0,1,0,0|2,0,0]=4 573 B8R1.4 N[C@H]1CCNC(=O)C1 28187 [1,0,0,1,0,0|2,0,0]=4 574 B8R1.4 N[C@H]1CCNC(=O)C1 62308 [1,0,0,1,0,0|2,0,0]=4 575 B8R1.4 O=C1CCCC(=O)C1 70018 [1,0,0,1,0,0|1,0,1]=4 576 B8R1.4 O=C1C[C@@H](O)CCN1 68726 [1,0,0,1,0,0|2,0,0]=4 577 B8R1.7 CC(=O)C1CCCC1 83754 [1,0,0,1,0,0|0,0,0]=2 578 B8R1.7 CC(=O)N1CCCC1 A12496 [1,0,0,1,0,0|1,0,0]=3 579 B8R1.7 C[C@H](N)C1CCCC1 83753 [1,0,0,1,0,0|1,0,1]=4 580 B8R1.7 C[C@H](O)C1CCCC1 W16248 [1,0,0,1,0,0|0,0,2]=4 581 B8R1.7 NC(=O)C1CCCC1 20928 [1,0,0,1,0,0|1,0,0]=3 582 B8R1.7 NC(=O)[C@@H]1CCCN1 59577 [1,0,0,1,0,0|2,0,0]=4 583 B8R1.7 NC(=O)[C@@H]1CCCN1 59579 [1,0,0,1,0,0|2,0,0]=4 584 B8R1.7 NC(=O)[C@@H]1CCCN1 59581 [1,0,0,1,0,0|2,0,0]=4 585 B8R1.7 NC(=O)[C@@H]1CCCN1 AC8100 [1,0,0,1,0,0|2,0,0]=4 586 B8R1.7 NC(=O)[C@@H]1CCCN1 F10562 [1,0,0,1,0,0|2,0,0]=4 587 B8R1.7 NC(=O)[C@@H]1CCCN1 P10052 [1,0,0,1,0,0|2,0,0]=4 588 B8R1.7 NC(=O)[C@@H]1CCCO1 30997 [1,0,0,1,0,0|2,0,0]=4 589 B8R1.7 NC(=O)[C@H]1CCNC1 37189 [1,0,0,1,0,0|2,0,0]=4 590 B8R1.7 NC(=O)[C@H]1CCNC1 83250 [1,0,0,1,0,0|2,0,0]=4 591 B8R1.7 O=C(Cl)C1CCCC1 D89509 [1,0,0,1,0,0|1,0,0]=3 592 B8R1.7 O=C(O)C1CCCC1 34069 [1,0,0,1,0,0|1,0,0]=3 593 B8R1.7 O=C(O)[C@@H]1CCCN1 30759 [1,0,0,1,0,0|2,0,0]=4 594 B8R1.7 O=C(O)[C@@H]1CCCN1 69586 [1,0,0,1,0,0|2,0,0]=4 595 B8R1.7 O=C(O)[C@@H]1CCCN1 P17692 [1,0,0,1,0,0|2,0,0]=4 596 B8R1.7 O=C(O)[C@@H]1CCCO1 30805 [1,0,0,1,0,0|2,0,0]=4 597 B8R1.7 O=C(O)[C@@H]1CCCO1 66521 [1,0,0,1,0,0|2,0,0]=4 598 B8R1.7 O=C(O)[C@@H]1CCCO1 74188 [1,0,0,1,0,0|2,0,0]=4 599 B8R1.7 O=C(O)[C@@H]1CCCS1 72166 [1,0,0,1,0,0|2,0,0]=4 600 B8R1.7 O=C(O)[C@H]1CCNC1 27256 [1,0,0,1,0,0|2,0,0]=4 601 B8R1.7 O=C(O)[C@H]1CCNC1 65300 [1,0,0,1,0,0|2,0,0]=4 602 B8R1.7 O=C(O)[C@H]1CCNC1 65301 [1,0,0,1,0,0|2,0,0]=4 603 B8R1.7 O=C(O)[C@H]1CCNC1 65434 [1,0,0,1,0,0|2,0,0]=4 604 B8R1.7 O=C(O)[C@H]1CCOC1 66518 [1,0,0,1,0,0|2,0,0]=4 605 B8R1.34 CC(=O)NC1CNC1 38121 [1,0,0,1,0,0|2,0,0]=4 606 B8R1.34 O=C(O)CC1CCC1 AB3606 [1,0,0,1,0,0|1,0,0]=3 607 B8R1.35 O=C(O)CCC1CC1 68386 [1,0,0,1,0,0|1,0,0]=3 608 B8R1.72 CC1(N)CCCCC1 71329 [1,0,0,1,0,0|1,0,1]=4 609 B8R1.72 CC1(O)CCCCC1 FD14069 [1,0,0,1,0,0|0,0,2]=4 610 B8R1.72 C[N+]1(C)CCCCC1 A51057 [1,0,0,1,0,0|2,0,0]=4 611 B10R1.13 CC(=O)C1CCN(C)CC1 C10124 [0,1,0,1,0,0|1,0,0]=3 612 B10R1.13 CC(=O)N1CCC(=O)CC1 20024 [0,1,0,1,0,0|1,0,1]=4 613 B10R1.13 CC(=O)N1CCC(Br)CC1 72176 [0,1,0,1,0,0|1,0,0]=3 614 B10R1.13 CC(=O)N1CCC(N)CC1 35114 [0,1,0,1,0,0|1,0,0]=3 615 B10R1.13 CC(=O)N1CCC(N)CC1 50546 [0,1,0,1,0,0|1,0,0]=3 616 B10R1.13 CC(=O)N1CCC(O)CC1 AB7343 [0,1,0,1,0,0|1,0,0]=3 617 B10R1.13 CC(C)C1CCC(O)CC1 D84253 [0,1,0,1,0,0|1,0,1]=4 618 B10R1.13 CC1CCC(C(=O)O)CC1 S12052 [0,1,0,1,0,0|1,0,0]=3 619 B10R1.13 CN(C)C1CCC(N)CC1 F30075 [0,1,0,1,0,0|2,0,0]=4 620 B10R1.13 CN(C)C1CCC(O)CC1 24677 [0,1,0,1,0,0|2,0,0]=4 621 B10R1.13 CN1CCC(C(=O)O)CC1 64217 [0,1,0,1,0,0|2,0,0]=4 622 B10R1.13 CN1CCC(C(=O)O)CC1 AB1543 [0,1,0,1,0,0|2,0,0]=4 623 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 71079 [0,1,0,1,0,0|1,0,0]=3 624 B10R1.13 NC1CCC(C(=O)O)CC1 20592 [0,1,0,1,0,0|1,0,0]=3 625 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 51515 [0,1,0,1,0,0|1,0,0]=3 626 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 51510 [0,1,0,1,0,0|1,0,0]=3 627 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 51511 [0,1,0,1,0,0|1,0,0]=3 628 B10R1.13 O=C(O)C1CCC(O)CC1 85341 [0,1,0,1,0,0|1,0,0]=3 629 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 P10288 [0,1,0,1,0,0|1,0,0]=3 630 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 P10217 [0,1,0,1,0,0|1,0,0]=3 631 B10R1.13 O=C1CCC(C(=O)O)CC1 50103 [0,1,0,1,0,0|1,0,1]=4 632 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 80143 [0,1,0,1,0,0|1,0,1]=4 633 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 21282 [0,1,0,1,0,0|1,0,0]=3 634 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 Y10581 [0,1,0,1,0,0|1,0,0]=3 635 B10R1.54 CC(C)C[C@H]1COC(=O)N1 AC1174 [0,1,0,1,0,0|2,0,0]=4 636 B10R1.153 COC(=O)CCNC1CC1 32671 [0,1,0,1,0,0|1,0,0]=3 637 B10R1.10 CCCC1CCOC(C)S1 D91574 [0,1,0,1,0,0|0,1,1]=4 638 B10R1.10 CCC[C@H]1CCCC(=O)O1 D70795 [0,1,0,1,0,0|1,0,0]=3 639 B10R1.10 CCOC1=CC(=O)CCC1 60943 [0,1,0,1,0,0|0,0,2]=4 640 B10R1.18 CC(=O)NC1CCNCC1 50436 [0,1,0,1,0,0|1,0,0]=3 641 B10R1.18 CC(C)NC1CCCCC1 D91133 [0,1,0,1,0,0|1,0,1]=4 642 B10R1.18 CN(C)CC1CCNCC1 F20038 [0,1,0,1,0,0|2,0,0]=4 643 B10R1.18 C[C@H](Cl)CN1CCCCC1 O10264 [0,1,0,1,0,0|1,0,1]=4 644 B10R1.18 NC(=O)CN1CCNCC1 70077 [0,1,0,1,0,0|2,0,0]=4 645 B10R1.18 NC(=O)CN1CCNCC1 P19766 [0,1,0,1,0,0|2,0,0]=4 646 B10R1.18 NC(=O)NC1CCCCC1 AC9450 [0,1,0,1,0,0|1,0,0]=3 647 B10R1.18 O=C(O)C=C1CCCCC1 A51178 [0,1,0,1,0,0|1,0,1]=4 648 B10R1.18 O=C(O)CC1=CCCCC1 D70526 [0,1,0,1,0,0|1,0,1]=4 649 B10R1.18 O=C(O)CC1CCCCC1 F11130 [0,1,0,1,0,0|1,0,0]=3 650 B10R1.18 O=C(O)CC1CCNCC1 65126 [0,1,0,1,0,0|1,0,0]=3 651 B10R1.18 O=C(O)CC1CCOCC1 69697 [0,1,0,1,0,0|1,0,0]=3 652 B10R1.18 O=C(O)CN1CCCCC1 29815 [0,1,0,1,0,0|1,0,0]=3 653 B10R1.18 O=C(O)CN1CCCCC1 D83454 [0,1,0,1,0,0|1,0,0]=3 654 B10R1.18 O=C(O)CN1CCCCC1 D97813 [0,1,0,1,0,0|1,0,0]=3 655 B10R1.18 O=C(O)CN1CCNCC1 12475 [0,1,0,1,0,0|2,0,0]=4 656 B10R1.18 O=C(O)CN1CCNCC1 D80298 [0,1,0,1,0,0|2,0,0]=4 657 B10R1.18 O=C(O)CN1CCNCC1 R10048 [0,1,0,1,0,0|2,0,0]=4 658 B10R1.18 O=C(O)CN1CCOCC1 64300 [0,1,0,1,0,0|2,0,0]=4 659 B10R1.18 O=C(O)CN1CCOCC1 AR3068 [0,1,0,1,0,0|2,0,0]=4 660 B10R1.18 O=C(O)C[C@H]1CCCCO1 AC1470 [0,1,0,1,0,0|1,0,0]=3 661 B10R1.18 O=C(O)C[C@H]1CCCNC1 23614 [0,1,0,1,0,0|1,0,0]=3 662 B10R1.18 O=C(O)C[C@H]1CCCNC1 30799 [0,1,0,1,0,0|1,0,0]=3 663 B10R1.18 O=C(O)C[C@H]1CNCCO1 56223 [0,1,0,1,0,0|2,0,0]=4 664 B10R1.39 CCN1CCC[C@H]1C(N)=O D90520 [0,1,0,1,0,0|1,0,0]=3 665 B10R1.61 CC(=O)[C@@H]1CCCCC1=O 35255 [0,1,0,1,0,0|0,0,1]=3 666 B10R1.61 CC1NCCCC1C(=O)O C71830 [0,1,0,1,0,0|1,0,0]=3 667 B10R1.61 CN(C)C1CCCCC1O F14640 [0,1,0,1,0,0|2,0,0]=4 668 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N C76115 [0,1,0,1,0,0|2,0,0]=4 669 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1O AT22769 [0,1,0,1,0,0|2,0,0]=4 670 B10R1.61 CN1CCCC[C@H]1C(=O)O 71306 [0,1,0,1,0,0|1,0,0]=3 671 B10R1.61 CN1CCCC[C@H]1C(=O)O W10205 [0,1,0,1,0,0|1,0,0]=3 672 B10R1.61 O=C(O)C1CCCCC1O 26766 [0,1,0,1,0,0|1,0,0]=3 673 B10R1.66 CC(=O)OC[C@H]1CCCO1 F16574 [0,1,0,1,0,0|1,0,0]=3 674 B10R1.66 O=C(Cl)CCC1CCCC1 FD10555 [0,1,0,1,0,0|1,0,0]=3 675 B10R1.66 O=C(O)CCC1CCCC1 73318 [0,1,0,1,0,0|1,0,0]=3 676 B10R1.66 O=C(O)CCC1OCCO1 25876 [0,1,0,1,0,0|2,0,0]=4 677 B10R1.66 O=C(O)CCN1CCCC1 71482 [0,1,0,1,0,0|1,0,0]=3 678 B10R1.66 O=C(O)COC1CCCC1 30678 [0,1,0,1,0,0|1,0,0]=3 679 B10R1.66 O=C(O)\C=C\C1CCCC1 W11636 [0,1,0,1,0,0|1,0,1]=4 680 B10R1.86 CCCN1CC[C@H]1C(=O)O P15802 [0,1,0,1,0,0|1,0,0]=3 681 B10R1.126 O=C(O)CCCCC1CC1 D84271 [0,1,0,1,0,0|1,0,0]=3 682 B10R1.348 CC(=O)N1CCCNCC1 50432 [0,1,0,1,0,0|1,0,0]=3 683 B10R1.348 O=C(O)C1CCCCCC1 O11712 [0,1,0,1,0,0|1,0,0]=3 684 B10R1.348 O=C(O)[C@@H]1CNCCCO1 31447 [0,1,0,1,0,0|2,0,0]=4 685 B10R1.348 O=C(O)[C@H]1CCCNCC1 37184 [0,1,0,1,0,0|1,0,0]=3 686 B10R1.348 S=C(S)N1CCCCCC1 D90891 [0,1,0,1,0,0|1,1,0]=4 687 B10R1.28 CS(=O)(=O)C1CCNCC1 37041 [0,1,0,1,0,0|2,0,0]=4 688 B10R1.28 O=S(=O)(Cl)C1CCCCC1 AR3428 [0,1,0,1,0,0|2,0,0]=4 689 B10R1.281 O=S(=O)(Cl)CC1CCCC1 AR3431 [0,1,0,1,0,0|2,0,0]=4 690 B10R1.1 CCCC1CCC(=O)CC1 65224 [0,1,0,1,0,0|0,0,0]=2 691 B10R1.1 CCCC1CCC(O)CC1 23014 [0,1,0,1,0,0|0,0,2]=4 692 B10R1.1 CCCN1CCC(=O)CC1 F17115 [0,1,0,1,0,0|1,0,0]=3 693 B10R1.1 CCC[C@H]1CC[C@H](O)CC1 N10575 [0,1,0,1,0,0|0,0,2]=4 694 B10R1.1 CCOC1CCC(=O)CC1 F31362 [0,1,0,1,0,0|1,0,0]=3 695 B10R1.2 CN1C(=O)CCC[C@@H]1CN P14725 [0,1,0,1,0,0|1,0,0]=3 696 B10R1.7 O[C@H]1CCCCCC[C@H]1O D81840 [0,1,0,1,0,0|0,0,2]=4 697 B10R1.15 CCC(=O)C1CCNCC1 D80905 [0,1,0,1,0,0|1,0,0]=3 698 B10R1.15 CCC(=O)N1CCNCC1 W18305 [0,1,0,1,0,0|2,0,0]=4 699 B10R1.15 CNC(=O)C1CCNCC1 Y10624 [0,1,0,1,0,0|1,0,0]=3 700 B10R1.15 CNC(=O)C1CCNCC1 Y10987 [0,1,0,1,0,0|1,0,0]=3 701 B10R1.15 COC(=O)C1=CCCCC1 O11977 [0,1,0,1,0,0|0,0,2]=4 702 B10R1.15 COC(=O)C1CCCCC1 D77686 [0,1,0,1,0,0|0,0,0]=2 703 B10R1.15 COC(=O)C1CCNCC1 64367 [0,1,0,1,0,0|1,0,0]=3 704 B10R1.15 COC(=O)C1CCNCC1 F11229 [0,1,0,1,0,0|1,0,0]=3 705 B10R1.15 COC(=O)C1CCOCC1 63174 [0,1,0,1,0,0|1,0,0]=3 706 B10R1.15 COC(=O)N1CCNCC1 63508 [0,1,0,1,0,0|2,0,0]=4 707 B10R1.15 COC(=O)[C@@H]1CC=CCC1 H10726 [0,1,0,1,0,0|0,0,2]=4 708 B10R1.15 COC(=O)[C@@H]1CC=CCC1 P18355 [0,1,0,1,0,0|0,0,2]=4 709 B10R1.15 COC(=O)[C@@H]1CCCCN1 26190 [0,1,0,1,0,0|1,0,0]=3 710 B10R1.15 COC(=O)[C@@H]1CCCCN1 33254 [0,1,0,1,0,0|1,0,0]=3 711 B10R1.15 COC(=O)[C@@H]1CCCCN1 68797 [0,1,0,1,0,0|1,0,0]=3 712 B10R1.15 COC(=O)[C@@H]1CCCCN1 C10695 [0,1,0,1,0,0|1,0,0]=3 713 B10R1.15 COC(=O)[C@@H]1CCCCO1 31348 [0,1,0,1,0,0|1,0,0]=3 714 B10R1.15 COC(=O)[C@@H]1CNCCN1 65230 [0,1,0,1,0,0|2,0,0]=4 715 B10R1.15 COC(=O)[C@@H]1CNCCN1 68439 [0,1,0,1,0,0|2,0,0]=4 716 B10R1.15 COC(=O)[C@@H]1CNCCN1 70261 [0,1,0,1,0,0|2,0,0]=4 717 B10R1.15 COC(=O)[C@@H]1CNCCO1 72534 [0,1,0,1,0,0|2,0,0]=4 718 B10R1.15 COC(=O)[C@@H]1CNCCO1 77678 [0,1,0,1,0,0|2,0,0]=4 719 B10R1.15 COC(=O)[C@@H]1CNCCO1 77679 [0,1,0,1,0,0|2,0,0]=4 720 B10R1.15 COC(=O)[C@@H]1COCCN1 77674 [0,1,0,1,0,0|2,0,0]=4 721 B10R1.15 COC(=O)[C@@H]1COCCN1 AC2358 [0,1,0,1,0,0|2,0,0]=4 722 B10R1.15 COC(=O)[C@@H]1COCCN1 S10486 [0,1,0,1,0,0|2,0,0]=4 723 B10R1.15 COC(=O)[C@H]1CCCNC1 26438 [0,1,0,1,0,0|1,0,0]=3 724 B10R1.15 COC(=O)[C@H]1CCCNC1 64008 [0,1,0,1,0,0|1,0,0]=3 725 B10R1.15 COC(=O)[C@H]1CCCNC1 78888 [0,1,0,1,0,0|1,0,0]=3 726 B10R1.15 COC(=O)[C@H]1CCCNC1 AB1541 [0,1,0,1,0,0|1,0,0]=3 727 B10R1.15 COC(=O)[C@H]1CCCOC1 SC3171 [0,1,0,1,0,0|1,0,0]=3 728 B10R1.15 NCC(=O)N1CCOCC1 31668 [0,1,0,1,0,0|2,0,0]=4 729 B10R1.15 NNC(=O)C1CCCCC1 D82260 [0,1,0,1,0,0|1,0,0]=3 730 B10R1.15 NNC(=O)C1CCOCC1 P10753 [0,1,0,1,0,0|2,0,0]=4 731 B10R1.15 N[C@@H](CO)C1CCCCC1 F14508 [0,1,0,1,0,0|1,0,1]=4 732 B10R1.15 N[C@@H](CO)C1CCCCC1 F14509 [0,1,0,1,0,0|1,0,1]=4 733 B10R1.15 O=C(CBr)C1CCCCC1 26392 [0,1,0,1,0,0|0,0,0]=2 734 B10R1.15 O=C(CBr)N1CCOCC1 S10967 [0,1,0,1,0,0|2,0,0]=4 735 B10R1.15 O=C(CCl)N1CCCCC1 H10613 [0,1,0,1,0,0|1,0,0]=3 736 B10R1.15 O=C(CCl)N1CCOCC1 O11063 [0,1,0,1,0,0|2,0,0]=4 737 B10R1.27 COC(=O)CC1CCCC1 F11964 [0,1,0,1,0,0|0,0,0]=2 738 B10R1.27 NCC(=O)NC1CCCC1 AB1060 [0,1,0,1,0,0|1,0,0]=3 739 B10R1.27 NCC(=O)NC1CCCC1 D84387 [0,1,0,1,0,0|1,0,0]=3 740 B10R1.27 O=C(CCl)NC1CCCC1 71197 [0,1,0,1,0,0|1,0,0]=3 741 B10R1.149 COC(=O)[C@@H]1CCCC1=O FD9017 [0,1,0,1,0,0|1,0,1]=4 742 B10R1.275 CN1CCCC[C@H](N)C1=O 11067 [0,1,0,1,0,0|2,0,0]=4 743 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 P10053 [0,1,0,1,0,0|2,0,0]=4 744 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 AC3298 [0,1,0,1,0,0|2,0,0]=4 745 B10R1.23 N[C@H](C(=O)O)C1CCCC1 23504 [0,1,0,1,0,0|1,0,0]=3 746 B10R1.23 N[C@H](C(=O)O)C1CCCC1 88067 [0,1,0,1,0,0|1,0,0]=3 747 B10R1.23 N[C@H](C(=O)O)C1CCCC1 88068 [0,1,0,1,0,0|1,0,0]=3 748 B10R1.23 O=C(O)[C@@H](Br)C1CCCC1 P13952 [0,1,0,1,0,0|1,0,0]=3 749 B10R1.113 CC(=O)N1CCC[C@H](N)C1 30730 [0,1,0,1,0,0|1,0,0]=3 750 B10R1.113 CC1CCCC(C(=O)O)N1 D81681 [0,1,0,1,0,0|1,0,0]=3 751 B10R1.113 CN1CCC[C@H](C(=O)O)C1 29837 [0,1,0,1,0,0|2,0,0]=4 752 B10R1.113 CN1CCC[C@H](C(=O)O)C1 AB1542 [0,1,0,1,0,0|2,0,0]=4 753 B10R1.113 NC(=O)C1CCCC(N)C1 D95138 [0,1,0,1,0,0|1,0,0]=3 754 B10R1.113 NC1CCCC(C(=O)O)C1 O10942 [0,1,0,1,0,0|1,0,0]=3 755 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P11018 [0,1,0,1,0,0|1,0,0]=3 756 B10R1.113 O=C(O)C1CNCC(O)C1 30497 [0,1,0,1,0,0|2,0,0]=4 757 B10R1.113 O=C(O)C1CNCC(O)C1 69575 [0,1,0,1,0,0|2,0,0]=4 758 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 59421 [0,1,0,1,0,0|1,0,0]=3 759 B10R1.363 CC(=O)C1(O)CCCCC1 20528 [0,1,0,1,0,0|0,0,0]=2 760 B10R1.363 CC1(C(=O)O)CCCCC1 90420 [0,1,0,1,0,0|1,0,0]=3 761 B10R1.363 CC1(C(=O)O)CCNCC1 31546 [0,1,0,1,0,0|2,0,0]=4 762 B10R1.363 CC1(C(=O)O)CCOCC1 20359 [0,1,0,1,0,0|2,0,0]=4 763 B10R1.363 CC1(C(N)=O)CCNCC1 F13745 [0,1,0,1,0,0|2,0,0]=4 764 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 55959 [0,1,0,1,0,0|2,0,0]=4 765 B10R1.363 C[C@]1(C(=O)O)CCCNC1 38436 [0,1,0,1,0,0|2,0,0]=4 766 B10R1.363 NC1(C(=O)O)CCCCC1 20484 [0,1,0,1,0,0|1,0,0]=3 767 B10R1.363 NC1(C(=O)O)CCNCC1 51826 [0,1,0,1,0,0|2,0,0]=4 768 B10R1.363 NC1(C(=O)O)CCNCC1 83145 [0,1,0,1,0,0|2,0,0]=4 769 B10R1.363 NC1(C(=O)O)CCOCC1 83144 [0,1,0,1,0,0|2,0,0]=4 770 B10R1.363 NC1(C(=O)O)CCOCC1 SC5092 [0,1,0,1,0,0|2,0,0]=4 771 B10R1.363 O=C(O)C1(F)CCNCC1 30489 [0,1,0,1,0,0|2,0,0]=4 772 B10R1.363 O=C(O)C1(O)CCCCC1 H10415 [0,1,0,1,0,0|1,0,0]=3 773 B10R1.363 O=C(O)C1(O)CCOCC1 P16091 [0,1,0,1,0,0|2,0,0]=4 774 B10R1.140 CCOC(=O)C1CC(=O)C1 82567 [0,1,0,1,0,0|1,0,1]=4 775 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O 42937 [0,1,0,1,0,0|2,0,0]=4 776 B10R1.361 CC(C)N1CC[C@H]1C(=O)O 62906 [0,1,0,1,0,0|2,0,0]=4 777 B10R2.62 O=C1CN2CCC1CC2 83429 [0,0,0,2,0,0|1,0,0]=3 778 B10R2.62 O=C1CN2CCC1CC2 A10296 [0,0,0,2,0,0|1,0,0]=3 779 B10R2.62 O=C1CN2CCC1CC2 S12072 [0,0,0,2,0,0|1,0,0]=3 780 B10R2.62 O=C1OC2CCC1CC2 D91006 [0,0,0,2,0,0|1,0,0]=3 781 B10R2.71 O=C1CC2CCC(C1)N2 34768 [0,0,0,2,0,0|1,0,0]=3 782 B10R2.71 O=C1CC2CCC(C1)O2 37775 [0,0,0,2,0,0|1,0,0]=3 783 B10R2.351 O=C(O)C1C2COCC21 26685 [0,0,0,2,0,0|2,0,0]=4 784 B10R2.351 O=C(O)[C@@H]1[C@H]2COC[C@H]21 P12602 [0,0,0,2,0,0|2,0,0]=4 785 B10R2.2 NN1CC2CCCC2C1 D70979 [0,0,0,2,0,0|2,0,0]=4 786 B10R2.2 O=C1CC2CNCC2C1 P12510 [0,0,0,2,0,0|1,0,0]=3 787 B10R2.14 O=C1C[C@H](C2CC2)CN1 Y10368 [0,0,0,2,0,0|1,0,0]=3