0 B10R1.66 CC(=O)OCC1=CC=CO1 F14839 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.66 CC(=O)OC[C@H]1CCCO1 F16574 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.66 O=C(Cl)CCC1CCCC1 FD10555 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.66 O=C(O)CCC1CCCC1 73318 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.66 O=C(O)CCC1OCCO1 25876 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.66 O=C(O)CCN1CCCC1 71482 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.66 O=C(O)COC1CCCC1 30678 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.66 O=C(O)\C=C\C1CCCC1 W11636 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.66 O=[N+]([O-])CCC1OCCO1 24568 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.12 CCCC[C@H]1CCCN1 D83453 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.25 C=CC(=O)OC[C@H]1CCCO1 H12061 [0,1,0,0,0,0|0,0,1]=2 11 B11R1.25 COC(=O)CNC1CCCC1 36181 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.25 COC(=O)\C=C\C1CCCC1 W11685 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O 59429 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.2 CC(=O)NCCCCCN F14796 [0,0,1,0,0,0|2,0,0]=3 15 B9R0.2 CC(=O)OCCCCCBr D70120 [0,0,1,0,0,0|1,0,0]=2 16 B9R0.2 CC(=O)OCCOCCCl D95763 [0,0,1,0,0,0|1,0,0]=2 17 B9R0.2 CC(=O)OCCOCCO S10606 [0,0,1,0,0,0|1,0,0]=2 18 B9R0.2 CC(C)NCCCCCO H11897 [0,0,1,0,0,0|2,0,1]=4 19 B9R0.2 CCCCCCCC(N)=O D91840 [0,0,1,0,0,0|3,0,0]=4 20 B9R0.2 CC\C=C/CCOC(C)=O D88345 [0,0,1,0,0,0|1,0,1]=3 21 B9R0.2 COCCCCOC(C)=O D88465 [0,0,1,0,0,0|2,0,0]=3 22 B9R0.2 NCCCCCCC(=O)O 33797 [0,0,1,0,0,0|3,0,0]=4 23 B9R0.2 NCCCCCCC(=O)O F11866 [0,0,1,0,0,0|3,0,0]=4 24 B9R0.2 O=C(O)CCCCCCBr F11868 [0,0,1,0,0,0|3,0,0]=4 25 B9R0.2 O=C(O)CCCCCCO O11656 [0,0,1,0,0,0|2,0,0]=3 26 B9R0.43 CC[C@@H](COC(C)=O)OC D88464 [0,0,1,0,0,0|0,0,0]=1 27 B9R0.43 COC(CNC(C)=O)OC AR3455 [0,0,1,0,0,0|2,0,0]=3 28 B9R0.48 CCOC(=O)CCC(C)=O D77713 [0,0,1,0,0,0|2,0,1]=4 29 B9R0.48 CCOC(=O)CNC(C)=O C10387 [0,0,1,0,0,0|2,0,1]=4 30 B11R2.359 O=C1CC2CCC(CN1)N2 C90383 [0,0,0,1,0,0|2,0,0]=3 31 B11R2.845 CC(=O)C1CC2C=CC1C2 O10317 [0,0,0,1,0,0|2,0,1]=4 32 B11R2.845 O=C(O)C1CC2CCC1C2 C10102 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.13 CC(=O)NC1CCCC1 20635 [0,0,0,0,1,0|2,0,0]=3 34 B9R1.13 CC(=O)N[C@H]1CCNC1 50520 [0,0,0,0,1,0|3,0,0]=4 35 B9R1.13 CC(=O)N[C@H]1CCNC1 P16272 [0,0,0,0,1,0|3,0,0]=4 36 B9R1.13 CC(C)C[C@H]1CCCN1 AR1079 [0,0,0,0,1,0|2,0,1]=4 37 B9R1.13 CN(C)C[C@H]1CCCN1 P12171 [0,0,0,0,1,0|3,0,0]=4 38 B9R1.13 O=C(Cl)OC1CCCC1 35687 [0,0,0,0,1,0|2,0,0]=3 39 B9R1.13 O=C(O)CC1CCCC1 70862 [0,0,0,0,1,0|2,0,0]=3 40 B9R1.13 O=C(O)CN1CCCC1 71481 [0,0,0,0,1,0|3,0,0]=4 41 B9R1.13 O=C(O)CN1CCCC1 F21166 [0,0,0,0,1,0|3,0,0]=4 42 B9R1.13 O=C(O)C[C@H]1CCCN1 22918 [0,0,0,0,1,0|2,0,0]=3 43 B9R1.13 O=C(O)C[C@H]1CCCN1 62961 [0,0,0,0,1,0|2,0,0]=3 44 B9R1.13 O=C(O)C[C@H]1CCNC1 37360 [0,0,0,0,1,0|3,0,0]=4 45 B9R1.13 O=C(O)C[C@H]1CCNC1 50101 [0,0,0,0,1,0|3,0,0]=4 46 B9R1.13 O=C(O)C[C@H]1CCNC1 65588 [0,0,0,0,1,0|3,0,0]=4 47 B9R1.13 O=C(O)C[C@H]1CCOC1 25150 [0,0,0,0,1,0|3,0,0]=4 48 B11R1.91 O=C(O)CCC1CCCCC1 H10698 [0,0,0,0,0,1|3,0,0]=4 49 B11R1.91 O=C(O)CCC1CCNCC1 82923 [0,0,0,0,0,1|3,0,0]=4 50 B11R1.91 O=C(O)CCC1CCNCC1 82924 [0,0,0,0,0,1|3,0,0]=4 51 B8R0.4 CCOCCOCCBr D97193 [1,0,1,0,0,0|1,0,1]=4 52 B8R0.4 CCOCCOCCO D72502 [1,0,1,0,0,0|1,0,1]=4 53 B8R0.4 CC\C=C/CCOC=O D95718 [1,0,1,0,0,0|1,0,1]=4 54 B8R0.7 CC(=O)OCCCCBr F16811 [1,0,1,0,0,0|1,0,0]=3 55 B8R0.7 CC(=O)OCCCCCl H10679 [1,0,1,0,0,0|1,0,0]=3 56 B8R0.7 CC(C)CCCCCO A10851 [1,0,1,0,0,0|1,0,1]=4 57 B8R0.7 CCCCCCC(=O)Cl A10863 [1,0,1,0,0,0|2,0,0]=4 58 B8R0.7 CCCCCCC(=O)[O-] D90422 [1,0,1,0,0,0|2,0,0]=4 59 B8R0.7 CCCCCCC(N)=O D93021 [1,0,1,0,0,0|2,0,0]=4 60 B8R0.7 CCCCCOC(=O)Cl D89273 [1,0,1,0,0,0|1,0,0]=3 61 B8R0.7 CCCCCOC(=S)[S-] D88265 [1,0,1,0,0,0|1,1,0]=4 62 B8R0.7 CSCCCOC(C)=O D91595 [1,0,1,0,0,0|1,0,0]=3 63 B8R0.7 NC(=O)CCCCCBr 74914 [1,0,1,0,0,0|2,0,0]=4 64 B8R0.7 O=C(Cl)CCCCCBr D88888 [1,0,1,0,0,0|2,0,0]=4 65 B8R0.7 O=C(O)CCCCCBr F11242 [1,0,1,0,0,0|2,0,0]=4 66 B8R0.7 O=C(O)CCCCCCl D77823 [1,0,1,0,0,0|2,0,0]=4 67 B8R0.7 O=C(O)CCCCCO S10488 [1,0,1,0,0,0|1,0,0]=3 68 B8R0.7 O=C(O)CCNCCO D94998 [1,0,1,0,0,0|2,0,0]=4 69 B8R0.7 O=C([O-])CCCCCO Y10610 [1,0,1,0,0,0|1,0,0]=3 70 B8R0.9 CC(=O)OC[C@H](C)CBr AB6423 [1,0,1,0,0,0|1,0,0]=3 71 B8R0.9 CC(=O)OC[C@H](O)CCl CS1164 [1,0,1,0,0,0|1,0,0]=3 72 B8R1.8 CNC[C@H]1CCCN1 P18037 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.8 COC[C@H]1CCCN1 11150 [2,0,0,0,0,0|1,0,0]=3 74 B10R0.3 CC(C)=CCC[C@H](C)CCO F16553 [0,1,1,0,0,0|2,0,0]=4 75 B10R0.3 CCC[C@H](S)CCOC(C)=O D91605 [0,1,1,0,0,0|1,0,0]=3 76 B10R0.4 CCCCCCCCC(C)=O D89897 [0,1,1,0,0,0|2,0,0]=4 77 B10R0.4 CCCCCCCOC(=O)Cl 62102 [0,1,1,0,0,0|2,0,0]=4 78 B10R0.4 NCCOCCOCC(=O)O 20975 [0,1,1,0,0,0|2,0,0]=4 79 B10R0.4 NCCOCCOCC(=O)O F15066 [0,1,1,0,0,0|2,0,0]=4 80 B10R0.22 CCCCCCOS(C)(=O)=O D70753 [0,1,1,0,0,0|2,0,0]=4 81 B10R0.74 COC(=O)CCCCCCBr F11980 [0,1,1,0,0,0|2,0,0]=4 82 B10R0.74 COC(=O)CCCCCCN 67874 [0,1,1,0,0,0|2,0,0]=4 83 B10R0.78 CCCOC(=O)CCC(C)=O 43143 [0,1,1,0,0,0|1,0,1]=4 84 B10R0.97 CC(=O)CCCCCC(=O)O W15940 [0,1,1,0,0,0|1,0,1]=4 85 B10R0.108 CCOC(=O)COC(=O)CBr D94338 [0,1,1,0,0,0|1,0,1]=4 86 B10R1.11 CCOC(=O)[C@@H]1CCCO1 F19887 [1,1,0,0,0,0|0,0,2]=4 87 B10R1.23 N[C@H](C(=O)O)C1CCCC1 23504 [0,1,0,0,1,0|2,0,0]=4 88 B10R1.23 N[C@H](C(=O)O)C1CCCC1 88067 [0,1,0,0,1,0|2,0,0]=4 89 B10R1.23 N[C@H](C(=O)O)C1CCCC1 88068 [0,1,0,0,1,0|2,0,0]=4 90 B10R1.23 O=C(O)[C@@H](Br)C1CCCC1 P13952 [0,1,0,0,1,0|2,0,0]=4 91 B10R1.54 CC(=O)O[C@@H]1C=C[C@H](O)C1 62220 [0,1,0,0,1,0|1,0,1]=4 92 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 59421 [0,1,0,0,1,0|2,0,0]=4 93 B12R1.27 O=C(CCl)NCC1CCCCC1 D93436 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.891 CS(=O)(=O)OCC1CCOCC1 66546 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.264 C=C(C)C(=O)OC[C@H]1CCCO1 D97782 [0,1,0,0,0,1|1,0,0]=3 96 B12R1.477 COC(=O)CCNC1CCCC1 24505 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.18 O=C(O)C[C@H]1CCCCO1 AC1470 [0,0,1,1,0,0|2,0,0]=4 98 B10R1.61 O=C(O)C1CCCCC1O 26766 [0,0,1,1,0,0|2,0,0]=4 99 B10R1.348 CC(=O)N1CCCNCC1 50432 [0,0,1,1,0,0|2,0,0]=4 100 B10R1.1 CCCC1CCC(=O)CC1 65224 [0,0,1,1,0,0|2,0,0]=4 101 B10R1.1 CCOC1CCC(=O)CC1 F31362 [0,0,1,1,0,0|1,0,0]=3 102 B10R1.113 CC(=O)N1CCC[C@H](N)C1 30730 [0,0,1,1,0,0|2,0,0]=4 103 B10R2.2 O=C1CC2CNCC2C1 P12510 [0,0,0,1,1,0|2,0,0]=4 104 B10R2.71 O=C1CC2CCC(C1)N2 34768 [0,0,0,1,1,0|1,0,0]=3 105 B10R2.71 O=C1CC2CCC(C1)O2 37775 [0,0,0,1,1,0|0,0,0]=2 106 B12R2.2918 O=C1CC2(CCCCC2)CN1 AC1536 [0,0,0,1,0,1|2,0,0]=4 107 B12R2.2918 O=C1CC2(CCOCC2)CN1 37763 [0,0,0,1,0,1|2,0,0]=4 108 B12R2.1661 CC(=O)OC1CC2C=CC1C2 AC8024 [0,0,0,1,0,1|1,0,1]=4 109 B12R2.5121 O=C1CCCC2(C1)OCCO2 P11851 [0,0,0,1,0,1|2,0,0]=4 110 B12R2.1175 O=C1CCC2(CC1)OCCO2 22530 [0,1,0,1,0,0|2,0,0]=4 111 B8R0.16 COC(CC(C)=O)OC D72464 [0,0,1,0,1,0|1,0,0]=3 112 B8R0.5 CCS[C@@H](C)CC(=O)O D80779 [0,0,1,0,1,0|1,1,0]=4 113 B8R1.7 CC(=O)C1CCCC1 83754 [0,0,0,0,2,0|1,0,0]=3 114 B8R1.7 CC(=O)N1CCCC1 A12496 [0,0,0,0,2,0|2,0,0]=4 115 B8R1.7 NC(=O)C1CCCC1 20928 [0,0,0,0,2,0|2,0,0]=4 116 B8R1.7 NC(=O)[C@@H]1CCCN1 59577 [0,0,0,0,2,0|2,0,0]=4 117 B8R1.7 NC(=O)[C@@H]1CCCN1 59579 [0,0,0,0,2,0|2,0,0]=4 118 B8R1.7 NC(=O)[C@@H]1CCCN1 59581 [0,0,0,0,2,0|2,0,0]=4 119 B8R1.7 NC(=O)[C@@H]1CCCN1 AC8100 [0,0,0,0,2,0|2,0,0]=4 120 B8R1.7 NC(=O)[C@@H]1CCCN1 F10562 [0,0,0,0,2,0|2,0,0]=4 121 B8R1.7 NC(=O)[C@@H]1CCCN1 P10052 [0,0,0,0,2,0|2,0,0]=4 122 B8R1.7 NC(=O)[C@@H]1CCCO1 30997 [0,0,0,0,2,0|1,0,0]=3 123 B8R1.7 O=C(Cl)C1CCCC1 D89509 [0,0,0,0,2,0|2,0,0]=4 124 B8R1.7 O=C(O)C1CCCC1 34069 [0,0,0,0,2,0|2,0,0]=4 125 B8R1.7 O=C(O)[C@@H]1CCCN1 30759 [0,0,0,0,2,0|2,0,0]=4 126 B8R1.7 O=C(O)[C@@H]1CCCN1 69586 [0,0,0,0,2,0|2,0,0]=4 127 B8R1.7 O=C(O)[C@@H]1CCCN1 P17692 [0,0,0,0,2,0|2,0,0]=4 128 B8R1.7 O=C(O)[C@@H]1CCCO1 30805 [0,0,0,0,2,0|1,0,0]=3 129 B8R1.7 O=C(O)[C@@H]1CCCO1 66521 [0,0,0,0,2,0|1,0,0]=3 130 B8R1.7 O=C(O)[C@@H]1CCCO1 74188 [0,0,0,0,2,0|1,0,0]=3 131 B8R1.7 O=C(O)[C@@H]1CCCS1 72166 [0,0,0,0,2,0|1,1,0]=4 132 B8R1.34 CC(=O)NC1CNC1 38121 [0,0,0,0,2,0|2,0,0]=4 133 B8R1.34 O=C(O)CC1CCC1 AB3606 [0,0,0,0,2,0|1,0,0]=3 134 B8R1.35 O=C(O)CCC1CC1 68386 [0,0,0,0,2,0|2,0,0]=4