0 B8R0.7 C#CCCCCC(=O)O 76366 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.7 C=CCCCCB(O)O I12043 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.7 C=CCCCCC(=O)O I11996 [0,0,0,0,0,0|1,0,3]=4 3 B8R0.7 CC(=O)OCCCCBr F16811 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.7 CC(=O)OCCCCCl H10679 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.7 CC(C)CCCCCO A10851 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.7 CC(C)NCCCCO F10470 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.7 CCCCCCB(O)O 33195 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.7 CCCCCCC(=O)Cl A10863 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.7 CCCCCCC(=O)[O-] D90422 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.7 CCCCCCC(N)=O D93021 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.7 CCCCCC[C@H](C)Br F21283 [0,0,0,0,0,0|1,0,0]=1 12 B8R0.7 CCCCCC[C@H](C)O AC1155 [0,0,0,0,0,0|0,0,0]=0 13 B8R0.7 CCCCCC[C@H](C)O D71187 [0,0,0,0,0,0|0,0,0]=0 14 B8R0.7 CCCCCC[C@H](C)O D81747 [0,0,0,0,0,0|0,0,0]=0 15 B8R0.7 CCCCCOC(=O)Cl D89273 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.7 CCCCCOC(=S)[S-] D88265 [0,0,0,0,0,0|2,1,1]=4 17 B8R0.7 CCCCOCC(=O)O AC1559 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.7 CCCC\C=C\B(O)O F10508 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.7 CCCC\C=C\C(=O)O D90864 [0,0,0,0,0,0|1,0,3]=4 20 B8R0.7 CCNCCCN(C)C 31761 [0,0,0,0,0,0|3,0,0]=3 21 B8R0.7 CN(C)CCCCC#N AC2013 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.7 COCCOCC(=O)O D74540 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.7 CSCCCOC(C)=O D91595 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.7 NC(=O)CCCCCBr 74914 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.7 O=C(Cl)CCCCCBr D88888 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.7 O=C(O)CCCCCBr F11242 [0,0,0,0,0,0|2,0,1]=3 27 B8R0.7 O=C(O)CCCCCCl D77823 [0,0,0,0,0,0|2,0,1]=3 28 B8R0.7 O=C(O)CCCCCO S10488 [0,0,0,0,0,0|2,0,1]=3 29 B8R0.7 O=C(O)CCNCCO D94998 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.7 O=C([O-])CCCCCO Y10610 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.1 BrCCCCCCBr D77996 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.1 C#CCCCCCO 35608 [1,0,0,0,0,0|0,0,2]=3 33 B7R0.1 C=CCCCCCBr 34943 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.1 C=CCCCCNC C75624 [1,0,0,0,0,0|1,0,2]=4 35 B7R0.1 C=CCOCCCC D88441 [1,0,0,0,0,0|1,0,2]=4 36 B7R0.1 CCCCCCCBr D78084 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.1 CCCCCCCI D70828 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.1 CCCCCCCS D90781 [1,0,0,0,0,0|0,1,0]=2 39 B7R0.1 CCCCOCCCl D89363 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.1 CNCCCCNC 29857 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.1 COCCOCCBr AC1298 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.1 COCCOCCN F19842 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.1 COCCOCCO D78002 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.1 ClCCCCCCBr AC1307 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.1 ClCCCCCCI O10399 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.1 ICCCCCCI D78160 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.1 N#CCCCCCBr 76351 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.1 N#CCCCCCN D92992 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.1 NCCCCCCN H11757 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.1 NCCCCCCO 74060 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.1 NCCCNCCBr 37146 [1,0,0,0,0,0|3,0,0]=4 52 B7R0.1 NCCCNCCO 37148 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.1 NCCNCCCO H11394 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.1 OCCCCCCBr 34408 [1,0,0,0,0,0|1,0,0]=2 55 B7R0.1 OCCCCCCCl D70146 [1,0,0,0,0,0|1,0,0]=2 56 B7R0.1 OCCCCCCS N11988 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.1 SCCCCCCS D90840 [1,0,0,0,0,0|1,1,0]=3 58 B7R0.4 C#CCOC[C@H](C)O D78242 [1,0,0,0,0,0|1,0,2]=4 59 B7R0.4 CC(=O)CCCCCl D89394 [1,0,0,0,0,0|1,0,2]=4 60 B7R0.4 CC(C)CCCCO D94723 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.4 CC(C)NCCCO H11834 [1,0,0,0,0,0|3,0,0]=4 62 B7R0.4 CCCCCB(O)O 33673 [1,0,0,0,0,0|2,0,0]=3 63 B7R0.4 CCCCCC(=O)[O-] D82015 [1,0,0,0,0,0|1,0,2]=4 64 B7R0.4 CCCCCC(N)=O D89187 [1,0,0,0,0,0|1,0,2]=4 65 B7R0.4 CCCCC[C@H](C)N D90921 [1,0,0,0,0,0|1,0,0]=2 66 B7R0.4 CCCCC[C@H](C)O D83253 [1,0,0,0,0,0|0,0,0]=1 67 B7R0.4 CCCCOC(C)C D93400 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.4 CCCCSC(C)=O 79049 [1,0,0,0,0,0|1,0,2]=4 69 B7R0.4 CN(C)CCCCN 76925 [1,0,0,0,0,0|3,0,0]=4 70 B7R0.4 CNCCCC(=O)O 20515 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.4 CNCCCC(=O)O AB7427 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.4 CNCCCN(C)C D94649 [1,0,0,0,0,0|3,0,0]=4 73 B7R0.4 C[C@H](O)CNCCN D90833 [1,0,0,0,0,0|2,0,0]=3 74 B7R0.4 C[C@H](O)CNCCO C13406 [1,0,0,0,0,0|2,0,0]=3 75 B7R0.4 NCCCCC(=O)O 76219 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.4 NCCCCC(=O)O D78140 [1,0,0,0,0,0|2,0,1]=4 77 B7R0.4 O=C(O)CCCCBr 76255 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.4 O=C(O)CCCCCl C10667 [1,0,0,0,0,0|2,0,1]=4 79 B9R0.2 CC(=O)NCCCCCN F14796 [0,1,0,0,0,0|1,0,2]=4 80 B9R0.2 CC(=O)OCCCCCBr D70120 [0,1,0,0,0,0|1,0,2]=4 81 B9R0.2 CC(C)NCCCCCO H11897 [0,1,0,0,0,0|2,0,0]=3 82 B9R0.2 CCCCCCCB(O)O F30119 [0,1,0,0,0,0|2,0,0]=3 83 B9R0.2 CCCCCCCC(N)=O D91840 [0,1,0,0,0,0|1,0,2]=4 84 B9R0.2 CCCCCCNC(N)=S D97364 [0,1,0,0,0,0|1,1,1]=4 85 B9R0.2 CCCNCCCN(C)C D97633 [0,1,0,0,0,0|2,0,0]=3 86 B9R0.2 COCCCCOC(C)=O D88465 [0,1,0,0,0,0|1,0,2]=4 87 B9R0.2 NCCCCCCC(=O)O 33797 [0,1,0,0,0,0|1,0,1]=3 88 B9R0.2 NCCCCCCC(=O)O F11866 [0,1,0,0,0,0|1,0,1]=3 89 B9R0.2 O=C(O)CCCCCCBr F11868 [0,1,0,0,0,0|1,0,1]=3 90 B9R0.2 O=C(O)CCCCCCO O11656 [0,1,0,0,0,0|1,0,1]=3 91 B9R0.4 CCCC[C@H](N)CC(=O)O 29775 [0,1,0,0,0,0|1,0,1]=3 92 B9R0.38 CCCCCCC(C)(C)O D93517 [0,1,0,0,0,0|0,0,0]=1 93 B9R0.38 CCCCCCS(=O)(=O)[O-] F10020 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.38 CCCCCCS(=O)(=O)[O-] F10030 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.38 CCCCCC[N+](C)(C)C D90893 [0,1,0,0,0,0|2,0,0]=3 96 B9R0.38 CCCCCC[Si](C)(C)Cl D89556 [0,1,0,0,0,0|1,1,0]=3 97 B9R0.38 C[N+](C)(C)CCCCCBr AC8016 [0,1,0,0,0,0|3,0,0]=4 98 B9R0.46 CCCCCCC(=O)OC D90782 [0,1,0,0,0,0|0,0,2]=3 99 B9R0.46 CCCCCC[C@H](O)CO F21409 [0,1,0,0,0,0|0,0,0]=1 100 B9R0.46 COC(=O)CCCCCBr AC7709 [0,1,0,0,0,0|1,0,2]=4 101 B9R0.46 COC(=O)CCCCCN 24451 [0,1,0,0,0,0|1,0,2]=4 102 B9R0.46 COC(=O)CCCCCO D97618 [0,1,0,0,0,0|1,0,2]=4 103 B9R0.47 CCCCC[C@H](C)C(=O)O D91473 [0,1,0,0,0,0|1,0,1]=3 104 B9R0.47 CCCCC[C@H](N)C(=O)O C71385 [0,1,0,0,0,0|1,0,1]=3 105 B9R0.47 CCCCOC(=O)[C@H](C)N 36325 [0,1,0,0,0,0|2,0,1]=4 106 B9R0.47 CCCCOC(=O)[C@H](C)O D70202 [0,1,0,0,0,0|1,0,1]=3 107 B9R0.47 CCSCC[C@H](N)C(=O)O 30126 [0,1,0,0,0,0|2,0,1]=4 108 B9R0.47 NCCCC[C@H](N)C(=O)O 23029 [0,1,0,0,0,0|2,0,1]=4 109 B9R0.47 NCCCC[C@H](N)C(=O)O 26700 [0,1,0,0,0,0|2,0,1]=4 110 B9R0.47 NCCCC[C@H](N)C(=O)O 70041 [0,1,0,0,0,0|2,0,1]=4 111 B9R0.47 NCCCC[C@H](N)C(=O)O AC7885 [0,1,0,0,0,0|2,0,1]=4 112 B9R0.47 NCCCC[C@H](N)C(=O)O D70557 [0,1,0,0,0,0|2,0,1]=4 113 B9R0.47 NCCCC[C@H](N)C(=O)O D70613 [0,1,0,0,0,0|2,0,1]=4 114 B9R0.47 NCCCC[C@H](N)C(=O)O F11082 [0,1,0,0,0,0|2,0,1]=4 115 B9R0.47 NCCCC[C@H](N)C(=O)O FD20004 [0,1,0,0,0,0|2,0,1]=4 116 B9R0.47 NCCCC[C@H](N)C(=O)O S10365 [0,1,0,0,0,0|2,0,1]=4 117 B9R0.48 CCOC(=O)CCC(C)C D81903 [0,1,0,0,0,0|2,0,1]=4 118 B9R0.55 CC(=O)CCCCC(=O)O AT14509 [0,1,0,0,0,0|1,0,2]=4 119 B9R0.55 CC(C)NCCNC(C)C F16687 [0,1,0,0,0,0|3,0,0]=4 120 B9R0.55 CN(C)CCCCC(=O)O 29149 [0,1,0,0,0,0|2,0,1]=4 121 B9R0.55 CN(C)CCCCC(=O)O 31841 [0,1,0,0,0,0|2,0,1]=4 122 B9R0.55 CN(C)CCCCN(C)C D94769 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.2 CCN1CCC[C@H](O)C1 77860 [0,0,0,1,0,0|1,0,0]=2 124 B9R1.2 CN1CCC[C@H](CN)C1 24105 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.2 CN1CCC[C@H](CN)C1 37195 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.2 CN1CCC[C@H](CO)C1 39295 [0,0,0,1,0,0|3,0,0]=4 127 B9R1.2 CN1CCC[C@H](CO)C1 P11005 [0,0,0,1,0,0|3,0,0]=4 128 B9R1.2 CN1CCC[C@H](CO)C1 P11006 [0,0,0,1,0,0|3,0,0]=4 129 B9R1.2 CNC1CCCC(O)C1 AB7429 [0,0,0,1,0,0|1,0,0]=2 130 B9R1.2 NCC1CCCC(O)C1 31886 [0,0,0,1,0,0|1,0,0]=2 131 B9R1.6 CC(=O)C1CCCCC1 P10040 [0,0,0,1,0,0|0,0,2]=3 132 B9R1.6 CC(=O)C1CCNCC1 25527 [0,0,0,1,0,0|1,0,2]=4 133 B9R1.6 CC(=O)C1CCOCC1 53199 [0,0,0,1,0,0|1,0,2]=4 134 B9R1.6 CC(=O)N1CCCCC1 S12042 [0,0,0,1,0,0|1,0,2]=4 135 B9R1.6 CC(=O)[C@@H]1CCCCN1 W15841 [0,0,0,1,0,0|1,0,2]=4 136 B9R1.6 CC(C)N1CCNCC1 D97776 [0,0,0,1,0,0|3,0,0]=4 137 B9R1.6 CC(C)N1CCNCC1 P10089 [0,0,0,1,0,0|3,0,0]=4 138 B9R1.6 CC(C)[C@@H]1COCCN1 F17610 [0,0,0,1,0,0|3,0,0]=4 139 B9R1.6 CC(C)[C@@H]1COCCN1 FD6010 [0,0,0,1,0,0|3,0,0]=4 140 B9R1.6 CC(C)[C@@H]1COCCN1 FD6025 [0,0,0,1,0,0|3,0,0]=4 141 B9R1.6 CN(C)C1CCNCC1 34424 [0,0,0,1,0,0|3,0,0]=4 142 B9R1.6 CN(C)C1CCNCC1 60162 [0,0,0,1,0,0|3,0,0]=4 143 B9R1.6 CN(C)C1CCNCC1 D82405 [0,0,0,1,0,0|3,0,0]=4 144 B9R1.6 CN(C)[C@H]1CCCNC1 F10905 [0,0,0,1,0,0|3,0,0]=4 145 B9R1.6 C[C@H](N)C1CCCCC1 79906 [0,0,0,1,0,0|1,0,0]=2 146 B9R1.6 C[C@H](N)C1CCCCC1 79909 [0,0,0,1,0,0|1,0,0]=2 147 B9R1.6 C[C@H](N)C1CCCCC1 N12504 [0,0,0,1,0,0|1,0,0]=2 148 B9R1.6 C[C@H](O)C1CCCCC1 F11489 [0,0,0,1,0,0|0,0,0]=1 149 B9R1.6 C[C@H](O)C1CCNCC1 AC1242 [0,0,0,1,0,0|1,0,0]=2 150 B9R1.6 N=C(N)C1CCCCC1 F20883 [0,0,0,1,0,0|2,0,1]=4 151 B9R1.6 NC(=O)C1CCCCC1 78531 [0,0,0,1,0,0|1,0,2]=4 152 B9R1.6 O=C(O)C1CCCCC1 P17799 [0,0,0,1,0,0|1,0,1]=3 153 B9R1.6 O=C(O)C1CCNCC1 AB2970 [0,0,0,1,0,0|2,0,1]=4 154 B9R1.6 O=C(O)C1CCNCC1 O12044 [0,0,0,1,0,0|2,0,1]=4 155 B9R1.6 O=C(O)C1CCOCC1 66534 [0,0,0,1,0,0|2,0,1]=4 156 B9R1.6 O=C(O)[C@@H]1CCCCN1 24951 [0,0,0,1,0,0|2,0,1]=4 157 B9R1.6 O=C(O)[C@@H]1CCCCN1 39420 [0,0,0,1,0,0|2,0,1]=4 158 B9R1.6 O=C(O)[C@@H]1CCCCN1 65236 [0,0,0,1,0,0|2,0,1]=4 159 B9R1.6 O=C(O)[C@@H]1CCCCN1 69549 [0,0,0,1,0,0|2,0,1]=4 160 B9R1.6 O=C(O)[C@@H]1CCCCN1 69551 [0,0,0,1,0,0|2,0,1]=4 161 B9R1.6 O=C(O)[C@@H]1CCCCN1 78208 [0,0,0,1,0,0|2,0,1]=4 162 B9R1.6 O=C(O)[C@@H]1CCCCO1 29454 [0,0,0,1,0,0|2,0,1]=4 163 B9R1.6 O=C(O)[C@H]1CCCNC1 24456 [0,0,0,1,0,0|2,0,1]=4 164 B9R1.6 O=C(O)[C@H]1CCCNC1 29863 [0,0,0,1,0,0|2,0,1]=4 165 B9R1.6 O=C(O)[C@H]1CCCNC1 64551 [0,0,0,1,0,0|2,0,1]=4 166 B9R1.6 O=C(O)[C@H]1CCCNC1 64552 [0,0,0,1,0,0|2,0,1]=4 167 B9R1.6 O=C(O)[C@H]1CCCNC1 64555 [0,0,0,1,0,0|2,0,1]=4 168 B9R1.6 O=C(O)[C@H]1CCCOC1 85695 [0,0,0,1,0,0|2,0,1]=4 169 B9R1.6 O=[N+]([O-])C1CCCCC1 F17587 [0,0,0,1,0,0|2,0,1]=4 170 B9R1.6 OB(O)C1CCCCC1 33988 [0,0,0,1,0,0|2,0,0]=3 171 B9R1.7 CCC[C@@H]1CNC(=O)C1 W17994 [0,0,0,1,0,0|1,0,2]=4 172 B9R1.7 CCC[C@H]1CCC(=O)O1 D90888 [0,0,0,1,0,0|1,0,1]=3 173 B9R1.13 CC(=O)NC1CCCC1 20635 [0,0,0,1,0,0|1,0,2]=4 174 B9R1.13 CC(C)C[C@H]1CCCN1 AR1079 [0,0,0,1,0,0|2,0,0]=3 175 B9R1.13 CN(C)C[C@H]1CCCN1 P12171 [0,0,0,1,0,0|3,0,0]=4 176 B9R1.13 O=C(O)CC1CCCC1 70862 [0,0,0,1,0,0|1,0,1]=3 177 B9R1.13 O=C(O)CN1CCCC1 71481 [0,0,0,1,0,0|2,0,1]=4 178 B9R1.13 O=C(O)CN1CCCC1 F21166 [0,0,0,1,0,0|2,0,1]=4 179 B9R1.13 O=C(O)C[C@H]1CCCN1 22918 [0,0,0,1,0,0|2,0,1]=4 180 B9R1.13 O=C(O)C[C@H]1CCCN1 62961 [0,0,0,1,0,0|2,0,1]=4 181 B9R1.13 O=C(O)C[C@H]1CCNC1 37360 [0,0,0,1,0,0|2,0,1]=4 182 B9R1.13 O=C(O)C[C@H]1CCNC1 50101 [0,0,0,1,0,0|2,0,1]=4 183 B9R1.13 O=C(O)C[C@H]1CCNC1 65588 [0,0,0,1,0,0|2,0,1]=4 184 B9R1.13 O=C(O)C[C@H]1CCOC1 25150 [0,0,0,1,0,0|2,0,1]=4 185 B9R1.40 CC1(C)CCCCC1=O 25898 [0,0,0,1,0,0|2,0,1]=4 186 B9R1.40 CC1(C)CNCC[C@@H]1O 26226 [0,0,0,1,0,0|3,0,0]=4 187 B9R1.41 CC1CCCC1C(=O)O 33416 [0,0,0,1,0,0|1,0,1]=3 188 B9R1.41 CN1CCC[C@H]1C(=O)O 28869 [0,0,0,1,0,0|2,0,1]=4 189 B9R1.41 CN1CCC[C@H]1C(=O)O 32214 [0,0,0,1,0,0|2,0,1]=4 190 B9R1.41 CN1CCC[C@H]1C(=O)O 32659 [0,0,0,1,0,0|2,0,1]=4 191 B9R1.41 CN1CCC[C@H]1C(=O)O 35836 [0,0,0,1,0,0|2,0,1]=4 192 B9R1.41 CN1CCC[C@H]1C(=O)O 74862 [0,0,0,1,0,0|2,0,1]=4 193 B9R1.41 CN1CCC[C@H]1C(=O)O 93283 [0,0,0,1,0,0|2,0,1]=4 194 B9R1.41 NC1CCCC1C(=O)O D94461 [0,0,0,1,0,0|2,0,1]=4 195 B9R1.50 NC1CCCCCCC1 D89372 [0,0,0,1,0,0|1,0,0]=2 196 B9R1.50 O=C1CCCCCCC1 78195 [0,0,0,1,0,0|0,0,2]=3 197 B9R1.50 O=C1CCCCCCN1 35268 [0,0,0,1,0,0|1,0,2]=4 198 B9R1.50 O=C1CCCCCCO1 D94278 [0,0,0,1,0,0|1,0,1]=3 199 B9R1.50 OC1CCCCCCC1 D89280 [0,0,0,1,0,0|0,0,0]=1 200 B9R1.50 O[C@@H]1CCC=CCCC1 H10619 [0,0,0,1,0,0|0,0,2]=3 201 B9R1.83 CCCCCC[C@H]1CO1 F20386 [0,0,0,1,0,0|0,0,0]=1 202 B9R1.85 CC(C)COC[C@H]1CO1 D96039 [0,0,0,1,0,0|3,0,0]=4 203 B9R1.148 CC1(O)CCCCCC1 D93172 [0,0,0,1,0,0|0,0,0]=1 204 B9R1.148 C[C@]1(O)CCCNCC1 37168 [0,0,0,1,0,0|1,0,0]=2 205 B6R0.6 BrCCCCCBr D70772 [2,0,0,0,0,0|2,0,0]=4 206 B6R0.6 C#CCCCCO F10490 [2,0,0,0,0,0|0,0,2]=4 207 B6R0.6 C=CCCCCO 35574 [2,0,0,0,0,0|0,0,2]=4 208 B6R0.6 CCC#CCCO F11743 [2,0,0,0,0,0|0,0,2]=4 209 B6R0.6 CCCC#CCO D90881 [2,0,0,0,0,0|0,0,2]=4 210 B6R0.6 CCCCCCI F20355 [2,0,0,0,0,0|1,0,0]=3 211 B6R0.6 CCCCCCN F19564 [2,0,0,0,0,0|1,0,0]=3 212 B6R0.6 CCCCCNC D91584 [2,0,0,0,0,0|1,0,0]=3 213 B6R0.6 CCCNCCC D89745 [2,0,0,0,0,0|1,0,0]=3 214 B6R0.6 CCCNCCO C10761 [2,0,0,0,0,0|1,0,0]=3 215 B6R0.6 CCCOCCCl H10822 [2,0,0,0,0,0|2,0,0]=4 216 B6R0.6 CCC\C=C\CO D78301 [2,0,0,0,0,0|0,0,2]=4 217 B6R0.6 CCNCCCN D82016 [2,0,0,0,0,0|2,0,0]=4 218 B6R0.6 CCNCCCO 31655 [2,0,0,0,0,0|1,0,0]=3 219 B6R0.6 CCNCCOC H11999 [2,0,0,0,0,0|2,0,0]=4 220 B6R0.6 CCOCCCCl D95770 [2,0,0,0,0,0|2,0,0]=4 221 B6R0.6 CCOCCCO D95933 [2,0,0,0,0,0|1,0,0]=3 222 B6R0.6 CC\C=C/CCO 73722 [2,0,0,0,0,0|0,0,2]=4 223 B6R0.6 CNCCCCO F10210 [2,0,0,0,0,0|1,0,0]=3 224 B6R0.6 COCCCCBr F13727 [2,0,0,0,0,0|2,0,0]=4 225 B6R0.6 COCCCCCl 28715 [2,0,0,0,0,0|2,0,0]=4 226 B6R0.6 COCCCCO D78159 [2,0,0,0,0,0|1,0,0]=3 227 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [2,0,0,0,0,0|2,0,0]=4 228 B6R0.6 ClCCCCCBr S10881 [2,0,0,0,0,0|2,0,0]=4 229 B6R0.6 ClCCCCCI A10955 [2,0,0,0,0,0|2,0,0]=4 230 B6R0.6 FCCCCCBr 24471 [2,0,0,0,0,0|2,0,0]=4 231 B6R0.6 ICCCCCI P10001 [2,0,0,0,0,0|2,0,0]=4 232 B6R0.6 NCCCCCN D83408 [2,0,0,0,0,0|2,0,0]=4 233 B6R0.6 NCCCCCO I11482 [2,0,0,0,0,0|1,0,0]=3 234 B6R0.6 NCCNCCO D77720 [2,0,0,0,0,0|2,0,0]=4 235 B6R0.6 NCCOCCO C70233 [2,0,0,0,0,0|2,0,0]=4 236 B6R0.6 O=CCCCCO F19841 [2,0,0,0,0,0|1,0,1]=4 237 B6R0.6 OCCCCCBr 23140 [2,0,0,0,0,0|1,0,0]=3 238 B6R0.6 OCCCCCCl O11412 [2,0,0,0,0,0|1,0,0]=3 239 B6R0.6 OCCNCCCl F50591 [2,0,0,0,0,0|2,0,0]=4 240 B6R0.6 OCCNCCO D92250 [2,0,0,0,0,0|2,0,0]=4 241 B6R0.6 OCCOCCBr S10705 [2,0,0,0,0,0|2,0,0]=4 242 B6R0.6 OCCOCCCl D72518 [2,0,0,0,0,0|2,0,0]=4 243 B6R0.6 SCCCCCS D92137 [2,0,0,0,0,0|1,1,0]=4 244 B6R0.4 CC(C)CCCBr O10389 [2,0,0,0,0,0|2,0,0]=4 245 B6R0.4 CC(C)CCCO F20439 [2,0,0,0,0,0|2,0,0]=4 246 B6R0.4 CCCCB(O)O 33151 [2,0,0,0,0,0|2,0,0]=4 247 B6R0.4 CCOCC(C)C D93520 [2,0,0,0,0,0|2,0,0]=4 248 B6R0.4 C[C@H](Br)CCCBr F14613 [2,0,0,0,0,0|2,0,0]=4 249 B6R0.4 C[C@H](O)CCCO 22874 [2,0,0,0,0,0|1,0,0]=3 250 B8R0.4 BrCCCCCCCBr H11758 [1,1,0,0,0,0|1,0,0]=3 251 B8R0.4 C#CCCCCCCO 85580 [1,1,0,0,0,0|0,0,1]=3 252 B8R0.4 C=CCCCCCCBr 78390 [1,1,0,0,0,0|0,0,2]=4 253 B8R0.4 C=CCCCCCCCl I11995 [1,1,0,0,0,0|0,0,2]=4 254 B8R0.4 CCCCCCCCCl D97411 [1,1,0,0,0,0|0,0,0]=2 255 B8R0.4 CCCCCCCCI W18672 [1,1,0,0,0,0|0,0,0]=2 256 B8R0.4 CCCCCCCCN D91873 [1,1,0,0,0,0|0,0,0]=2 257 B8R0.4 CCCCCCCCN D91878 [1,1,0,0,0,0|0,0,0]=2 258 B8R0.4 CCCCCCCNC D82019 [1,1,0,0,0,0|0,0,0]=2 259 B8R0.4 CCCCCCN=C=S D95721 [1,1,0,0,0,0|0,1,1]=4 260 B8R0.4 CCCCC\C=C\CO D91843 [1,1,0,0,0,0|0,0,1]=3 261 B8R0.4 CCCCOCCC#N AC1754 [1,1,0,0,0,0|1,0,1]=4 262 B8R0.4 CCCCOCCOC A11001 [1,1,0,0,0,0|1,0,0]=3 263 B8R0.4 CCCC[SnH4+2]CCCC D95293 [1,1,0,0,0,0|0,0,0]=2 264 B8R0.4 CCCC[SnH4+2]CCCC D95356 [1,1,0,0,0,0|0,0,0]=2 265 B8R0.4 CCCSSSCCC D95313 [1,1,0,0,0,0|2,0,0]=4 266 B8R0.4 CCOCCOCCBr D97193 [1,1,0,0,0,0|2,0,0]=4 267 B8R0.4 CCOCCOCCO D72502 [1,1,0,0,0,0|1,0,0]=3 268 B8R0.4 COCCNCCOC F11888 [1,1,0,0,0,0|2,0,0]=4 269 B8R0.4 COCCOCCCBr S10711 [1,1,0,0,0,0|2,0,0]=4 270 B8R0.4 COCCOCCCN A10954 [1,1,0,0,0,0|2,0,0]=4 271 B8R0.4 COCCOCCOC D80970 [1,1,0,0,0,0|2,0,0]=4 272 B8R0.4 NCCCCCCCN O11823 [1,1,0,0,0,0|1,0,0]=3 273 B8R0.4 NCCCOCCCN T70571 [1,1,0,0,0,0|2,0,0]=4 274 B8R0.4 OCCCCCCCBr 34162 [1,1,0,0,0,0|0,0,0]=2 275 B8R0.4 OCCCCCCCCl D97219 [1,1,0,0,0,0|0,0,0]=2 276 B8R0.4 OCCCCCCCO H10510 [1,1,0,0,0,0|0,0,0]=2 277 B8R0.4 OCCCNCCCO O10901 [1,1,0,0,0,0|1,0,0]=3 278 B8R0.6 C=C[C@@H](O)CCCCC D91822 [1,1,0,0,0,0|0,0,2]=4 279 B8R0.6 CCCCC[C@@H](O)CC D78240 [1,1,0,0,0,0|0,0,0]=2 280 B8R0.6 CCCCNC(=O)CC D88679 [1,1,0,0,0,0|1,0,1]=4 281 B8R0.6 CCCCOC(=O)CO D70201 [1,1,0,0,0,0|1,0,1]=4 282 B8R0.6 NCCCC[C@H](N)CO F52525 [1,1,0,0,0,0|1,0,0]=3 283 B8R0.6 OCCCC[C@H](O)CO 75130 [1,1,0,0,0,0|1,0,0]=3 284 B8R0.5 CCOC(=O)C[C@H](C)O D70263 [1,1,0,0,0,0|1,0,1]=4 285 B8R0.5 CCOC(=O)C[C@H](C)O F16431 [1,1,0,0,0,0|1,0,1]=4 286 B8R0.5 CCOC(=O)C[C@H](C)O SC1027 [1,1,0,0,0,0|1,0,1]=4 287 B8R0.8 CCCCC(=O)C(C)C D91376 [1,1,0,0,0,0|1,0,1]=4 288 B8R0.8 CCCC[C@H](Br)C(=O)O H11951 [1,1,0,0,0,0|1,0,1]=4 289 B8R0.8 CCCC[C@H](C)C(=O)O D91409 [1,1,0,0,0,0|1,0,1]=4 290 B8R0.8 CCCC[C@H](N)C(=O)O 73275 [1,1,0,0,0,0|1,0,1]=4 291 B8R0.8 CCCC[C@H](N)C(=O)O FD3031 [1,1,0,0,0,0|1,0,1]=4 292 B8R0.8 CCCC[C@H](N)C(=O)O FD3085 [1,1,0,0,0,0|1,0,1]=4 293 B8R0.8 CCCOC(=O)[C@H](C)O D91251 [1,1,0,0,0,0|1,0,1]=4 294 B8R0.21 CCCCOC(C)(C)C D92818 [1,1,0,0,0,0|2,0,0]=4 295 B8R0.28 CC(=O)CCCC(C)C D81757 [1,1,0,0,0,0|0,0,2]=4 296 B8R0.28 CC(C)CNCC(C)C D89689 [1,1,0,0,0,0|2,0,0]=4 297 B8R0.28 CC(O)COCC(C)O D78446 [1,1,0,0,0,0|1,0,0]=3 298 B10R0.3 CC(C)CCC[C@H](C)CCBr AB6389 [0,2,0,0,0,0|1,0,0]=3 299 B10R0.3 CC(C)CCC[C@H](C)CCN AB7060 [0,2,0,0,0,0|1,0,0]=3 300 B10R0.3 CCCC(=O)CCCC(=O)O D93029 [0,2,0,0,0,0|1,0,1]=4 301 B10R0.3 CCC[C@H](S)CCOC(C)=O D91605 [0,2,0,0,0,0|0,0,2]=4 302 B10R0.65 CC[C@](C)(O)CCCC(C)C D78122 [0,2,0,0,0,0|1,0,0]=3 303 B10R0.77 CCN(CC)CCC[C@H](C)N 77918 [0,2,0,0,0,0|2,0,0]=4 304 B10R0.4 C=CCCCCCCC(=O)O I11998 [0,2,0,0,0,0|1,0,1]=4 305 B10R0.4 CCCCCCCCB(O)O 33153 [0,2,0,0,0,0|2,0,0]=4 306 B10R0.4 CCCCCCCCC(C)=O D89897 [0,2,0,0,0,0|0,0,2]=4 307 B10R0.4 NCCCCCCCC(=O)O 52148 [0,2,0,0,0,0|1,0,1]=4 308 B10R0.4 O=C(O)CCCCCCCBr C10414 [0,2,0,0,0,0|1,0,1]=4 309 B10R0.4 O=CCCCCCCC(=O)O D80547 [0,2,0,0,0,0|1,0,1]=4 310 B10R0.6 CCCCCC(=O)OC(C)C D89305 [0,2,0,0,0,0|1,0,1]=4 311 B10R0.22 CCCCCCOS(C)(=O)=O D70753 [0,2,0,0,0,0|1,0,1]=4 312 B10R0.74 CCCCCCCC(=O)NO 35665 [0,2,0,0,0,0|1,0,1]=4 313 B10R0.74 CCCCCCCC(=O)NO D89270 [0,2,0,0,0,0|1,0,1]=4 314 B10R0.74 COC(=O)CCCCCCBr F11980 [0,2,0,0,0,0|0,0,2]=4 315 B10R0.74 COC(=O)CCCCCCN 67874 [0,2,0,0,0,0|0,0,2]=4 316 B10R0.75 CCCCCC[C@H](N)C(=O)O C14122 [0,2,0,0,0,0|1,0,0]=3 317 B10R0.75 CCCCCC[C@H](N)C(=O)O D86759 [0,2,0,0,0,0|1,0,0]=3 318 B10R0.75 CCCCCC[C@H](N)C(=O)O S10911 [0,2,0,0,0,0|1,0,0]=3 319 B10R0.75 CCCCCC[C@H](O)C(=O)O D81442 [0,2,0,0,0,0|0,0,1]=3 320 B10R0.75 CNCCCC[C@H](N)C(=O)O F11031 [0,2,0,0,0,0|1,0,1]=4 321 B10R0.78 CCCCC(=O)OCC(C)C D95777 [0,2,0,0,0,0|1,0,1]=4 322 B10R0.78 CCCC[C@H](C)CCC(=O)O D83868 [0,2,0,0,0,0|1,0,1]=4 323 B10R0.97 CC(=O)CCCCCC(=O)O W15940 [0,2,0,0,0,0|1,0,1]=4 324 B10R0.97 CC(C)CCCCCC(=O)O D93038 [0,2,0,0,0,0|1,0,1]=4 325 B10R0.87 CCCC[C@H](CC)CN(C)C D93447 [0,2,0,0,0,0|2,0,0]=4 326 B10R0.41 COCCOCC(OC)OC O10333 [0,2,0,0,0,0|2,0,0]=4 327 B8R1.2 BrCC1CCCCC1 81459 [1,0,0,1,0,0|1,0,0]=3 328 B8R1.2 BrCC1CCNCC1 54450 [1,0,0,1,0,0|2,0,0]=4 329 B8R1.2 BrCC1CCOCC1 54616 [1,0,0,1,0,0|2,0,0]=4 330 B8R1.2 C#CC1CCCCC1 F16297 [1,0,0,1,0,0|0,0,2]=4 331 B8R1.2 C=CC1CCCCC1 D92778 [1,0,0,1,0,0|0,0,2]=4 332 B8R1.2 CCN1CCNCC1 P17082 [1,0,0,1,0,0|2,0,0]=4 333 B8R1.2 CC[C@H]1CCCCN1 D90478 [1,0,0,1,0,0|1,0,0]=3 334 B8R1.2 CC[C@H]1COCCN1 F13094 [1,0,0,1,0,0|2,0,0]=4 335 B8R1.2 CC[C@H]1COCCN1 F17622 [1,0,0,1,0,0|2,0,0]=4 336 B8R1.2 CC[C@H]1COCCN1 FD6007 [1,0,0,1,0,0|2,0,0]=4 337 B8R1.2 CNC1CCOCC1 32360 [1,0,0,1,0,0|2,0,0]=4 338 B8R1.2 CNC1CCOCC1 AB1551 [1,0,0,1,0,0|2,0,0]=4 339 B8R1.2 CN[C@H]1CCCNC1 33739 [1,0,0,1,0,0|2,0,0]=4 340 B8R1.2 COC1CCNCC1 29503 [1,0,0,1,0,0|2,0,0]=4 341 B8R1.2 COC1CCNCC1 30319 [1,0,0,1,0,0|2,0,0]=4 342 B8R1.2 CO[C@H]1CCCNC1 32736 [1,0,0,1,0,0|2,0,0]=4 343 B8R1.2 CO[C@H]1CCCNC1 32744 [1,0,0,1,0,0|2,0,0]=4 344 B8R1.2 CO[C@H]1CCCNC1 37169 [1,0,0,1,0,0|2,0,0]=4 345 B8R1.2 CO[C@H]1CCCNC1 37171 [1,0,0,1,0,0|2,0,0]=4 346 B8R1.2 CO[C@H]1CCCNC1 AB7412 [1,0,0,1,0,0|2,0,0]=4 347 B8R1.2 ClC[C@H]1CNCCO1 50754 [1,0,0,1,0,0|2,0,0]=4 348 B8R1.2 ICC1CCOCC1 62810 [1,0,0,1,0,0|2,0,0]=4 349 B8R1.2 N#CC1CCCCC1 F14026 [1,0,0,1,0,0|1,0,1]=4 350 B8R1.2 NCC1CCCCC1 FD10556 [1,0,0,1,0,0|1,0,0]=3 351 B8R1.2 NCC1CCNCC1 20503 [1,0,0,1,0,0|2,0,0]=4 352 B8R1.2 NCC1CCOCC1 51888 [1,0,0,1,0,0|2,0,0]=4 353 B8R1.2 NCC1CCOCC1 AB1593 [1,0,0,1,0,0|2,0,0]=4 354 B8R1.2 NC[C@H]1CCCCN1 F13324 [1,0,0,1,0,0|2,0,0]=4 355 B8R1.2 NC[C@H]1CCCCO1 29695 [1,0,0,1,0,0|1,0,0]=3 356 B8R1.2 NC[C@H]1CCCNC1 51408 [1,0,0,1,0,0|2,0,0]=4 357 B8R1.2 NC[C@H]1CCCNC1 AB01087 [1,0,0,1,0,0|2,0,0]=4 358 B8R1.2 NC[C@H]1CCCOC1 P10450 [1,0,0,1,0,0|2,0,0]=4 359 B8R1.2 NC[C@H]1CNCCO1 30960 [1,0,0,1,0,0|2,0,0]=4 360 B8R1.2 NC[C@H]1COCCO1 P10401 [1,0,0,1,0,0|2,0,0]=4 361 B8R1.2 NNC1CCCCC1 74084 [1,0,0,1,0,0|2,0,0]=4 362 B8R1.2 NNC1CCCCC1 BL010400 [1,0,0,1,0,0|2,0,0]=4 363 B8R1.2 NO[C@@H]1CCCCO1 FD1322 [1,0,0,1,0,0|2,0,0]=4 364 B8R1.2 O=CC1CCCCC1 39466 [1,0,0,1,0,0|0,0,2]=4 365 B8R1.2 OCC1CCCCC1 73723 [1,0,0,1,0,0|0,0,0]=2 366 B8R1.2 OCC1CCNCC1 25838 [1,0,0,1,0,0|1,0,0]=3 367 B8R1.2 OCC1CCOCC1 66550 [1,0,0,1,0,0|1,0,0]=3 368 B8R1.2 OCC1CCSCC1 30719 [1,0,0,1,0,0|1,0,0]=3 369 B8R1.2 OC[C@@H]1CC=CCC1 AC7844 [1,0,0,1,0,0|0,0,2]=4 370 B8R1.2 OC[C@H]1CCCCN1 23778 [1,0,0,1,0,0|1,0,0]=3 371 B8R1.2 OC[C@H]1CCCCN1 25116 [1,0,0,1,0,0|1,0,0]=3 372 B8R1.2 OC[C@H]1CCCCN1 39317 [1,0,0,1,0,0|1,0,0]=3 373 B8R1.2 OC[C@H]1CCCCN1 69389 [1,0,0,1,0,0|1,0,0]=3 374 B8R1.2 OC[C@H]1CCCCO1 P17277 [1,0,0,1,0,0|1,0,0]=3 375 B8R1.2 OC[C@H]1CCCNC1 20066 [1,0,0,1,0,0|1,0,0]=3 376 B8R1.2 OC[C@H]1CCCNC1 25088 [1,0,0,1,0,0|1,0,0]=3 377 B8R1.2 OC[C@H]1CCCNC1 32724 [1,0,0,1,0,0|1,0,0]=3 378 B8R1.2 OC[C@H]1CNCCN1 I11548 [1,0,0,1,0,0|2,0,0]=4 379 B8R1.2 OC[C@H]1CNCCO1 AB7650 [1,0,0,1,0,0|2,0,0]=4 380 B8R1.2 OC[C@H]1CNCCO1 S11136 [1,0,0,1,0,0|2,0,0]=4 381 B8R1.2 OC[C@H]1CNCCO1 SC3861 [1,0,0,1,0,0|2,0,0]=4 382 B8R1.2 OC[C@H]1COCCN1 25766 [1,0,0,1,0,0|2,0,0]=4 383 B8R1.2 OC[C@H]1COCCN1 26437 [1,0,0,1,0,0|2,0,0]=4 384 B8R1.2 OC[C@H]1COCCN1 62952 [1,0,0,1,0,0|2,0,0]=4 385 B8R1.2 OC[C@H]1COCCO1 AC1016 [1,0,0,1,0,0|2,0,0]=4 386 B8R1.2 ONC1CCCCC1 77599 [1,0,0,1,0,0|1,0,0]=3 387 B8R1.2 ONC1CCCCC1 77600 [1,0,0,1,0,0|1,0,0]=3 388 B8R1.5 BrC1CCCCC1Br 23806 [1,0,0,1,0,0|2,0,0]=4 389 B8R1.5 Br[C@H]1CCCC[C@@H]1Br D90058 [1,0,0,1,0,0|2,0,0]=4 390 B8R1.5 C[C@H]1CCCC[C@@H]1N S11914 [1,0,0,1,0,0|1,0,0]=3 391 B8R1.5 C[C@H]1CCCC[C@H]1C D89702 [1,0,0,1,0,0|0,0,0]=2 392 B8R1.5 C[C@H]1CNCCN1C 38274 [1,0,0,1,0,0|2,0,0]=4 393 B8R1.5 C[C@H]1CNCCN1C P11797 [1,0,0,1,0,0|2,0,0]=4 394 B8R1.5 FC1CCCCC1Br T71186 [1,0,0,1,0,0|2,0,0]=4 395 B8R1.5 NC1CCCCC1O AB10042 [1,0,0,1,0,0|1,0,0]=3 396 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67886 [1,0,0,1,0,0|1,0,0]=3 397 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67887 [1,0,0,1,0,0|1,0,0]=3 398 B8R1.5 N[C@@H]1CCCC[C@@H]1O A51241 [1,0,0,1,0,0|1,0,0]=3 399 B8R1.5 N[C@H]1CCCC[C@@H]1N 28367 [1,0,0,1,0,0|2,0,0]=4 400 B8R1.5 N[C@H]1CCCC[C@@H]1N 28369 [1,0,0,1,0,0|2,0,0]=4 401 B8R1.5 N[C@H]1CCCC[C@@H]1N F16348 [1,0,0,1,0,0|2,0,0]=4 402 B8R1.5 N[C@H]1CCCC[C@@H]1O 22869 [1,0,0,1,0,0|1,0,0]=3 403 B8R1.5 N[C@H]1CCCC[C@@H]1O 28325 [1,0,0,1,0,0|1,0,0]=3 404 B8R1.5 N[C@H]1CCCC[C@@H]1O 67740 [1,0,0,1,0,0|1,0,0]=3 405 B8R1.5 N[C@H]1CCCC[C@@H]1O 67741 [1,0,0,1,0,0|1,0,0]=3 406 B8R1.5 N[C@H]1CCCC[C@@H]1O 74387 [1,0,0,1,0,0|1,0,0]=3 407 B8R1.5 N[C@H]1CCCC[C@@H]1O H10809 [1,0,0,1,0,0|1,0,0]=3 408 B8R1.5 N[C@H]1CCCC[C@H]1N 11201 [1,0,0,1,0,0|2,0,0]=4 409 B8R1.5 N[C@H]1COCC[C@@H]1O 38320 [1,0,0,1,0,0|2,0,0]=4 410 B8R1.5 N[C@H]1COCC[C@@H]1O 39243 [1,0,0,1,0,0|2,0,0]=4 411 B8R1.5 N[C@H]1COCC[C@@H]1O P19738 [1,0,0,1,0,0|2,0,0]=4 412 B8R1.5 N[C@H]1COCC[C@@H]1O W11754 [1,0,0,1,0,0|2,0,0]=4 413 B8R1.5 OC1CCCCC1Cl D71128 [1,0,0,1,0,0|1,0,0]=3 414 B8R1.5 OC1CCCCC1O FD9018 [1,0,0,1,0,0|1,0,0]=3 415 B8R1.5 O[C@H]1CCCC[C@@H]1F T72787 [1,0,0,1,0,0|1,0,0]=3 416 B8R1.5 O[C@H]1CCCC[C@@H]1O O12154 [1,0,0,1,0,0|1,0,0]=3 417 B8R1.5 O[C@H]1CNCC[C@@H]1F 37697 [1,0,0,1,0,0|2,0,0]=4 418 B8R1.8 BrCCC1OCCO1 79535 [1,0,0,1,0,0|2,0,0]=4 419 B8R1.8 BrCCN1CCCC1 54542 [1,0,0,1,0,0|2,0,0]=4 420 B8R1.8 CCO[C@H]1CCNC1 31293 [1,0,0,1,0,0|2,0,0]=4 421 B8R1.8 CNC[C@H]1CCCN1 P18037 [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 COC[C@H]1CCCN1 11150 [1,0,0,1,0,0|2,0,0]=4 424 B8R1.8 ClCCN1CCCC1 27886 [1,0,0,1,0,0|2,0,0]=4 425 B8R1.8 N#CCC1CCCC1 97394 [1,0,0,1,0,0|1,0,1]=4 426 B8R1.8 NCCC1CCCC1 23538 [1,0,0,1,0,0|1,0,0]=3 427 B8R1.8 NCCN1CCCC1 AC1468 [1,0,0,1,0,0|2,0,0]=4 428 B8R1.8 OCCC1CCCC1 P10032 [1,0,0,1,0,0|0,0,0]=2 429 B8R1.8 OCCN1CCCC1 F14228 [1,0,0,1,0,0|1,0,0]=3 430 B8R1.8 OCC[C@H]1CCNC1 38792 [1,0,0,1,0,0|1,0,0]=3 431 B8R1.10 CCCOC1CNC1 28518 [1,0,0,1,0,0|2,0,0]=4 432 B8R1.11 CC[C@H]1CCCC1=O D83898 [1,0,0,1,0,0|0,0,2]=4 433 B8R1.11 CN1CCC[C@@H]1CN C74098 [1,0,0,1,0,0|2,0,0]=4 434 B8R1.11 CN1CCC[C@@H]1CN D82178 [1,0,0,1,0,0|2,0,0]=4 435 B8R1.11 CN1CCC[C@@H]1CO 33737 [1,0,0,1,0,0|1,0,0]=3 436 B8R1.11 CN1CCC[C@@H]1CO 33738 [1,0,0,1,0,0|1,0,0]=3 437 B8R1.11 CN1CCC[C@@H]1CO 34380 [1,0,0,1,0,0|1,0,0]=3 438 B8R1.12 OCC1CCC1CO P19699 [1,0,0,1,0,0|1,0,0]=3 439 B8R1.22 CN1CCCNCC1 63976 [1,0,0,1,0,0|2,0,0]=4 440 B8R1.22 C[C@H]1CCCNCC1 72644 [1,0,0,1,0,0|1,0,0]=3 441 B8R1.22 ClC1CCCCCC1 D81846 [1,0,0,1,0,0|1,0,0]=3 442 B8R1.22 NC1CCCCCC1 F19821 [1,0,0,1,0,0|1,0,0]=3 443 B8R1.22 N[C@H]1CCCCNC1 51061 [1,0,0,1,0,0|2,0,0]=4 444 B8R1.22 N[C@H]1CCCCNC1 51996 [1,0,0,1,0,0|2,0,0]=4 445 B8R1.22 N[C@H]1CCCCNC1 A56046 [1,0,0,1,0,0|2,0,0]=4 446 B8R1.22 O=C1CCCCCO1 D70255 [1,0,0,1,0,0|1,0,1]=4 447 B8R1.22 OC1CCCCCC1 D89285 [1,0,0,1,0,0|0,0,0]=2 448 B8R1.22 O[C@H]1CCCNCC1 36657 [1,0,0,1,0,0|1,0,0]=3 449 B8R1.22 O[C@H]1CCCNCC1 62252 [1,0,0,1,0,0|1,0,0]=3 450 B8R1.49 C1=CCCCCCC1 D89499 [1,0,0,1,0,0|0,0,2]=4 451 B8R1.1 CCN1CC[C@H](Cl)C1 D82602 [1,0,0,1,0,0|2,0,0]=4 452 B8R1.1 CCN1CC[C@H](N)C1 P17207 [1,0,0,1,0,0|2,0,0]=4 453 B8R1.1 CCN1CC[C@H](O)C1 F13254 [1,0,0,1,0,0|1,0,0]=3 454 B8R1.1 CC[C@H]1CCC(=O)O1 AC2069 [1,0,0,1,0,0|1,0,1]=4 455 B8R1.1 OC[C@@H]1C[C@H](O)CN1 P18712 [1,0,0,1,0,0|2,0,0]=4 456 B8R1.1 OC[C@H]1C[C@H](O)CN1 62331 [1,0,0,1,0,0|2,0,0]=4 457 B8R1.1 OC[C@H]1C[C@H](O)CN1 P17328 [1,0,0,1,0,0|2,0,0]=4 458 B8R1.4 CC1CC(O)CCO1 32162 [1,0,0,1,0,0|1,0,0]=3 459 B8R1.4 CC1CCCC(C)N1 F10355 [1,0,0,1,0,0|1,0,0]=3 460 B8R1.4 CC1CCCC(N)C1 33432 [1,0,0,1,0,0|1,0,0]=3 461 B8R1.4 CC1CNCC(C)C1 D77718 [1,0,0,1,0,0|2,0,0]=4 462 B8R1.4 CC1CNCC(C)N1 H11174 [1,0,0,1,0,0|2,0,0]=4 463 B8R1.4 CC1CNCC(C)N1 P15326 [1,0,0,1,0,0|2,0,0]=4 464 B8R1.4 CC1COCC(C)N1 70362 [1,0,0,1,0,0|2,0,0]=4 465 B8R1.4 CN1CCC[C@H](Br)C1 AC1745 [1,0,0,1,0,0|2,0,0]=4 466 B8R1.4 CN1CCC[C@H](N)C1 37172 [1,0,0,1,0,0|2,0,0]=4 467 B8R1.4 CN1CCC[C@H](N)C1 37173 [1,0,0,1,0,0|2,0,0]=4 468 B8R1.4 CN1CCC[C@H](O)C1 37176 [1,0,0,1,0,0|1,0,0]=3 469 B8R1.4 CN1CCC[C@H](O)C1 37177 [1,0,0,1,0,0|1,0,0]=3 470 B8R1.4 CN1CCC[C@H](O)C1 37178 [1,0,0,1,0,0|1,0,0]=3 471 B8R1.4 C[C@H]1CCCC(=O)C1 33413 [1,0,0,1,0,0|0,0,2]=4 472 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [1,0,0,1,0,0|1,0,1]=4 473 B8R1.4 C[C@H]1CNC[C@@H](C)N1 P10485 [1,0,0,1,0,0|2,0,0]=4 474 B8R1.4 C[C@H]1CNC[C@@H](C)O1 70460 [1,0,0,1,0,0|1,0,0]=3 475 B8R1.4 C[C@H]1CNC[C@H](C)O1 77574 [1,0,0,1,0,0|1,0,0]=3 476 B8R1.4 C[C@H]1C[C@@H](O)CCO1 D78943 [1,0,0,1,0,0|1,0,0]=3 477 B8R1.4 NC1CCCC(N)C1 F14870 [1,0,0,1,0,0|2,0,0]=4 478 B8R1.4 NC1CCCC(O)C1 20373 [1,0,0,1,0,0|1,0,0]=3 479 B8R1.4 NC1CCCC(O)C1 51096 [1,0,0,1,0,0|1,0,0]=3 480 B8R1.4 N[C@H]1CCC[C@@H](N)C1 T70691 [1,0,0,1,0,0|2,0,0]=4 481 B8R1.4 OC1CCCC(O)C1 F17088 [1,0,0,1,0,0|1,0,0]=3 482 B8R1.6 COC[C@H]1C[C@@H](N)C1 P16184 [1,0,0,1,0,0|2,0,0]=4 483 B8R1.7 CC(=O)C1CCCC1 83754 [1,0,0,1,0,0|0,0,2]=4 484 B8R1.7 CC(C)[C@@H]1CCCN1 AR1076 [1,0,0,1,0,0|2,0,0]=4 485 B8R1.7 C[C@H](N)C1CCCC1 83753 [1,0,0,1,0,0|1,0,0]=3 486 B8R1.7 C[C@H](O)C1CCCC1 W16248 [1,0,0,1,0,0|0,0,0]=2 487 B8R1.7 O=C(O)C1CCCC1 34069 [1,0,0,1,0,0|1,0,1]=4 488 B8R1.7 OB(O)C1CCCC1 32725 [1,0,0,1,0,0|2,0,0]=4 489 B8R1.19 CC1(C)CCC[C@@H]1O D79629 [1,0,0,1,0,0|2,0,0]=4 490 B8R1.34 O=C(O)CC1CCC1 AB3606 [1,0,0,1,0,0|1,0,1]=4 491 B8R1.35 CC(C)NCC1CC1 D86468 [1,0,0,1,0,0|2,0,0]=4 492 B8R1.35 O=C(O)CCC1CC1 68386 [1,0,0,1,0,0|1,0,1]=4 493 B8R1.72 CC1(C)CCCNC1 52404 [1,0,0,1,0,0|2,0,0]=4 494 B8R1.72 CC1(C)CCNCC1 61353 [1,0,0,1,0,0|2,0,0]=4 495 B8R1.72 CC1(C)CCNCC1 AC8379 [1,0,0,1,0,0|2,0,0]=4 496 B8R1.72 CC1(N)CCCCC1 71329 [1,0,0,1,0,0|1,0,0]=3 497 B8R1.72 CC1(N)CCOCC1 SC1105 [1,0,0,1,0,0|2,0,0]=4 498 B8R1.72 CC1(O)CCCCC1 FD14069 [1,0,0,1,0,0|0,0,0]=2 499 B8R1.72 CC1(O)CCNCC1 37038 [1,0,0,1,0,0|1,0,0]=3 500 B8R1.72 CC1(O)CCNCC1 88644 [1,0,0,1,0,0|1,0,0]=3 501 B8R1.72 C[N+]1(C)CCCCC1 A51057 [1,0,0,1,0,0|2,0,0]=4 502 B8R1.72 OC1(O)CCNCC1 67884 [1,0,0,1,0,0|2,0,0]=4 503 B10R1.13 CC(C)C1CCC(=O)CC1 28968 [0,1,0,1,0,0|1,0,1]=4 504 B10R1.13 CC(C)C1CCC(O)CC1 D84253 [0,1,0,1,0,0|1,0,0]=3 505 B10R1.13 CC(C)N1CCC(N)CC1 77869 [0,1,0,1,0,0|2,0,0]=4 506 B10R1.13 CC(C)N1CCC(O)CC1 77868 [0,1,0,1,0,0|2,0,0]=4 507 B10R1.13 CC1CCC(C(=O)O)CC1 S12052 [0,1,0,1,0,0|1,0,1]=4 508 B10R1.13 CN(C)C1CCC(N)CC1 F30075 [0,1,0,1,0,0|2,0,0]=4 509 B10R1.13 CN(C)C1CCC(O)CC1 24677 [0,1,0,1,0,0|2,0,0]=4 510 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 71079 [0,1,0,1,0,0|1,0,1]=4 511 B10R1.13 NC1CCC(C(=O)O)CC1 20592 [0,1,0,1,0,0|1,0,1]=4 512 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 51515 [0,1,0,1,0,0|1,0,1]=4 513 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 51510 [0,1,0,1,0,0|1,0,1]=4 514 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 51511 [0,1,0,1,0,0|1,0,1]=4 515 B10R1.13 O=C(O)C1CCC(O)CC1 85341 [0,1,0,1,0,0|1,0,1]=4 516 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 P10288 [0,1,0,1,0,0|1,0,1]=4 517 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 P10217 [0,1,0,1,0,0|1,0,1]=4 518 B10R1.54 CC(C)CC1OCC(C)O1 D91211 [0,1,0,1,0,0|1,0,0]=3 519 B10R1.10 CCCC1CCOC(C)S1 D91574 [0,1,0,1,0,0|0,1,0]=3 520 B10R1.10 CCC[C@H]1CCCC(=O)O1 D70795 [0,1,0,1,0,0|1,0,1]=4 521 B10R1.18 CC(C)CN1CCNCC1 28453 [0,1,0,1,0,0|2,0,0]=4 522 B10R1.18 CC(C)NC1CCCCC1 D91133 [0,1,0,1,0,0|1,0,0]=3 523 B10R1.18 CC(C)NC1CCNCC1 20967 [0,1,0,1,0,0|2,0,0]=4 524 B10R1.18 CN(C)CC1CCNCC1 F20038 [0,1,0,1,0,0|2,0,0]=4 525 B10R1.18 C[C@H](Cl)CN1CCCCC1 O10264 [0,1,0,1,0,0|1,0,0]=3 526 B10R1.18 O=C(O)CC1CCCCC1 F11130 [0,1,0,1,0,0|1,0,1]=4 527 B10R1.18 O=C(O)CC1CCNCC1 65126 [0,1,0,1,0,0|1,0,1]=4 528 B10R1.18 O=C(O)CC1CCOCC1 69697 [0,1,0,1,0,0|1,0,1]=4 529 B10R1.18 O=C(O)CN1CCCCC1 29815 [0,1,0,1,0,0|1,0,1]=4 530 B10R1.18 O=C(O)CN1CCCCC1 D83454 [0,1,0,1,0,0|1,0,1]=4 531 B10R1.18 O=C(O)CN1CCCCC1 D97813 [0,1,0,1,0,0|1,0,1]=4 532 B10R1.18 O=C(O)C[C@H]1CCCCO1 AC1470 [0,1,0,1,0,0|1,0,1]=4 533 B10R1.18 O=C(O)C[C@H]1CCCNC1 23614 [0,1,0,1,0,0|1,0,1]=4 534 B10R1.18 O=C(O)C[C@H]1CCCNC1 30799 [0,1,0,1,0,0|1,0,1]=4 535 B10R1.61 CC1NCCCC1C(=O)O C71830 [0,1,0,1,0,0|1,0,1]=4 536 B10R1.61 CN(C)C1CCCCC1O F14640 [0,1,0,1,0,0|2,0,0]=4 537 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N C76115 [0,1,0,1,0,0|2,0,0]=4 538 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1O AT22769 [0,1,0,1,0,0|2,0,0]=4 539 B10R1.61 CN1CCCC[C@H]1C(=O)O 71306 [0,1,0,1,0,0|1,0,1]=4 540 B10R1.61 CN1CCCC[C@H]1C(=O)O W10205 [0,1,0,1,0,0|1,0,1]=4 541 B10R1.61 O=C(O)C1CCCCC1O 26766 [0,1,0,1,0,0|1,0,1]=4 542 B10R1.66 O=C(O)CCC1CCCC1 73318 [0,1,0,1,0,0|1,0,1]=4 543 B10R1.66 O=C(O)CCN1CCCC1 71482 [0,1,0,1,0,0|1,0,1]=4 544 B10R1.66 O=C(O)COC1CCCC1 30678 [0,1,0,1,0,0|1,0,1]=4 545 B10R1.86 CCCN1CC[C@H]1C(=O)O P15802 [0,1,0,1,0,0|1,0,1]=4 546 B10R1.126 O=C(O)CCCCC1CC1 D84271 [0,1,0,1,0,0|1,0,1]=4 547 B10R1.348 O=C(O)C1CCCCCC1 O11712 [0,1,0,1,0,0|1,0,1]=4 548 B10R1.348 O=C(O)[C@H]1CCCNCC1 37184 [0,1,0,1,0,0|1,0,1]=4 549 B10R1.28 CC(C)(C)C1CCNCC1 71535 [0,1,0,1,0,0|2,0,0]=4 550 B10R1.28 CC(C)(O)C1CCNCC1 29814 [0,1,0,1,0,0|1,0,0]=3 551 B10R1.28 FC(F)(F)C1CCCCC1 D92725 [0,1,0,1,0,0|2,0,0]=4 552 B10R1.95 CC1(C)OC[C@H](CCO)O1 61343 [0,1,0,1,0,0|2,0,0]=4 553 B10R1.95 CC1(C)OC[C@H](CCO)O1 C10218 [0,1,0,1,0,0|2,0,0]=4 554 B10R1.1 CCCC1CCC(=O)CC1 65224 [0,1,0,1,0,0|0,0,2]=4 555 B10R1.1 CCCC1CCC(O)CC1 23014 [0,1,0,1,0,0|0,0,0]=2 556 B10R1.1 CCCN1CCC(N)CC1 D70056 [0,1,0,1,0,0|2,0,0]=4 557 B10R1.1 CCC[C@H]1CC[C@H](O)CC1 N10575 [0,1,0,1,0,0|0,0,0]=2 558 B10R1.1 CCOC1CCC(N)CC1 D84453 [0,1,0,1,0,0|2,0,0]=4 559 B10R1.1 OCCN1CCC(O)CC1 D93319 [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|0,0,0]=2 561 B10R1.15 CC[C@H](O)C1CCNCC1 F52461 [0,1,0,1,0,0|1,0,0]=3 562 B10R1.15 COC(=O)C1CCCCC1 D77686 [0,1,0,1,0,0|0,0,2]=4 563 B10R1.15 N[C@@H](CO)C1CCCCC1 F14508 [0,1,0,1,0,0|1,0,0]=3 564 B10R1.15 N[C@@H](CO)C1CCCCC1 F14509 [0,1,0,1,0,0|1,0,0]=3 565 B10R1.15 O=C(CBr)C1CCCCC1 26392 [0,1,0,1,0,0|0,0,2]=4 566 B10R1.27 COC(=O)CC1CCCC1 F11964 [0,1,0,1,0,0|0,0,2]=4 567 B10R1.27 C[C@H](CO)CN1CCCC1 63878 [0,1,0,1,0,0|1,0,0]=3 568 B10R1.172 NCC1CCCC(CN)C1 D73878 [0,1,0,1,0,0|2,0,0]=4 569 B10R1.23 N[C@H](C(=O)O)C1CCCC1 23504 [0,1,0,1,0,0|1,0,1]=4 570 B10R1.23 N[C@H](C(=O)O)C1CCCC1 88067 [0,1,0,1,0,0|1,0,1]=4 571 B10R1.23 N[C@H](C(=O)O)C1CCCC1 88068 [0,1,0,1,0,0|1,0,1]=4 572 B10R1.23 O=C(O)[C@@H](Br)C1CCCC1 P13952 [0,1,0,1,0,0|1,0,1]=4 573 B10R1.113 CC(C)N1CCC[C@H](O)C1 77867 [0,1,0,1,0,0|1,0,0]=3 574 B10R1.113 CC1CCCC(C(=O)O)N1 D81681 [0,1,0,1,0,0|1,0,1]=4 575 B10R1.113 NC1CCCC(C(=O)O)C1 O10942 [0,1,0,1,0,0|1,0,1]=4 576 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P11018 [0,1,0,1,0,0|1,0,1]=4 577 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 59421 [0,1,0,1,0,0|1,0,1]=4 578 B10R1.363 CC(=O)C1(O)CCCCC1 20528 [0,1,0,1,0,0|0,0,2]=4 579 B10R1.363 CC1(C(=O)O)CCCCC1 90420 [0,1,0,1,0,0|1,0,1]=4 580 B10R1.363 NC1(C(=O)O)CCCCC1 20484 [0,1,0,1,0,0|1,0,1]=4 581 B10R1.363 O=C(O)C1(O)CCCCC1 H10415 [0,1,0,1,0,0|1,0,1]=4 582 B10R1.138 CCCC(=O)OC[C@H]1CO1 23071 [0,1,0,1,0,0|1,0,1]=4 583 B10R1.138 CCCC(=O)OC[C@H]1CO1 F20484 [0,1,0,1,0,0|1,0,1]=4 584 B10R1.140 CCOC(=O)C1CC(O)C1 CS1377 [0,1,0,1,0,0|1,0,1]=4 585 B10R1.140 CCOC(=O)[C@H]1C[C@H](O)C1 38022 [0,1,0,1,0,0|1,0,1]=4 586 B10R2.62 N[C@H]1CN2CCC1CC2 29194 [0,0,0,2,0,0|2,0,0]=4 587 B10R2.62 N[C@H]1CN2CCC1CC2 33258 [0,0,0,2,0,0|2,0,0]=4 588 B10R2.62 N[C@H]1CN2CCC1CC2 51006 [0,0,0,2,0,0|2,0,0]=4 589 B10R2.62 O=C1OC2CCC1CC2 D91006 [0,0,0,2,0,0|1,0,1]=4 590 B10R2.62 O[C@H]1CN2CCC1CC2 65706 [0,0,0,2,0,0|1,0,0]=3 591 B10R2.71 O=C1CC2CCC(C1)O2 37775 [0,0,0,2,0,0|1,0,1]=4 592 B10R2.71 O[C@@H]1C[C@@H]2CC[C@H](C1)N2 28724 [0,0,0,2,0,0|1,0,0]=3 593 B10R2.71 O[C@@H]1C[C@@H]2CC[C@H](C1)N2 36311 [0,0,0,2,0,0|1,0,0]=3 594 B10R2.71 O[C@H]1C[C@@H]2CC[C@H](C1)N2 37030 [0,0,0,2,0,0|1,0,0]=3 595 B10R2.99 OCC1CC2CCC1C2 77949 [0,0,0,2,0,0|2,0,0]=4 596 B10R2.109 C=CC1CCC2OC2C1 E70404 [0,0,0,2,0,0|0,0,2]=4 597 B10R2.2 NN1CC2CCCC2C1 D70979 [0,0,0,2,0,0|2,0,0]=4 598 B10R2.316 OC1CC2(CCNC2)C1 P19915 [0,0,0,2,0,0|1,0,0]=3 599 B10R2.18 C1=CCCC2OC2CC1 D97444 [0,0,0,2,0,0|0,0,2]=4