0 B10R0.4 CCCCCCCCC(=O)Cl 099081 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.4 CCCCCCCCC(=O)O 161400 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.4 CCCCCCCCC(N)=O 099214 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.4 CCCCCCCCN(C)C 098964 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.4 CCCCCCCNC(C)=O 104336 [0,0,0,0,0,0|1,0,1]=2 5 B10R0.4 CCCCCCCOC(=O)Cl 024777 [0,0,0,0,0,0|2,0,1]=3 6 B10R0.4 NC(=O)CCCCCCCBr 104466 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.4 O=C(Cl)CCCCCCCBr 477501 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.4 O=C(O)CCCCCCCBr BR1099 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.2 CC(=O)OCCCCCBr 464202 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.2 CCCCCCCC(=O)Cl 099180 [1,0,0,0,0,0|1,0,1]=3 11 B9R0.2 CCCCCCCC(=O)O 094565 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.2 CCCCCCCC(C)=O 349299 [1,0,0,0,0,0|0,0,1]=2 13 B9R0.2 CCCCCCCC(C)O 321952 [1,0,0,0,0,0|0,0,3]=4 14 B9R0.2 CCCCCCOC(C)=O 102343 [1,0,0,0,0,0|1,0,0]=2 15 B9R0.2 CCCCC\C=C\B(O)O 103920 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.2 CC\C=C/CCOC(C)=O 102346 [1,0,0,0,0,0|1,0,2]=4 17 B9R0.2 NCCCCCCC(=O)O 078953 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.2 O=C(O)CCCCCCBr 236587 [1,0,0,0,0,0|2,0,1]=4 19 B9R0.45 C=CCCCCCCCC 200050 [1,0,0,0,0,0|0,0,3]=4 20 B9R0.45 CCCCCCCCC=O 018925 [1,0,0,0,0,0|0,0,2]=3 21 B9R0.45 CCCCCCCCCC 520891 [1,0,0,0,0,0|0,0,3]=4 22 B9R0.45 CCCCCCCCNC 046353 [1,0,0,0,0,0|1,0,2]=4 23 B9R0.45 CCCCCCCN=C=O 050930 [1,0,0,0,0,0|1,0,2]=4 24 B9R0.45 CCCCCC\C=C\C=O 106390 [1,0,0,0,0,0|0,0,0]=1 25 B9R0.45 CCCC\C=C\C=C\C=O 106729 [1,0,0,0,0,0|0,0,2]=3 26 B9R0.45 CC\C=C/CCCCC=O 106733 [1,0,0,0,0,0|1,0,2]=4 27 B11R0.40 CCCCCCC#CC(=O)OC 106728 [0,1,0,0,0,0|0,0,2]=3 28 B11R0.40 CCCCCCCCC(C)C=O 102661 [0,1,0,0,0,0|0,0,3]=4 29 B11R0.40 CNC(=O)CCCCCCCBr 104471 [0,1,0,0,0,0|1,0,2]=4 30 B11R0.46 CCCCCC(O)CCC(N)=O 104651 [0,1,0,0,0,0|1,0,2]=4 31 B11R0.148 CCCCCCCCCC(=O)Cl 099542 [0,1,0,0,0,0|1,0,2]=4 32 B11R0.148 CCCCCCCCCC(=O)O 102961 [0,1,0,0,0,0|1,0,2]=4 33 B11R0.148 CCCCCCCCCC(C)=O 106727 [0,1,0,0,0,0|0,0,2]=3 34 B11R0.148 CCCCCCCCCC(N)=O 180363 [0,1,0,0,0,0|1,0,2]=4 35 B11R0.148 O=C(O)CCCCCCCCBr 036989 [0,1,0,0,0,0|1,0,2]=4 36 B11R1.27 CCCCCC1CCC(=O)O1 517774 [0,0,0,1,0,0|1,0,2]=4 37 B11R1.91 NC(=O)CCC1CCCCC1 102611 [0,0,0,1,0,0|1,0,2]=4 38 B11R1.91 O=C(Cl)CCC1CCCCC1 356854 [0,0,0,1,0,0|1,0,2]=4 39 B11R1.91 O=C(O)CCC1CCCCC1 242639 [0,0,0,1,0,0|1,0,2]=4 40 B11R1.91 OB(O)\C=C\C1CCCCC1 209144 [0,0,0,1,0,0|2,0,1]=4 41 B8R0.4 C=CCCCCCCBr 043893 [2,0,0,0,0,0|1,0,1]=4 42 B8R0.4 C=CCCCCCCI 505959 [2,0,0,0,0,0|1,0,1]=4 43 B8R0.4 C=CCCCCCNC 104411 [2,0,0,0,0,0|1,0,1]=4 44 B8R0.4 CCCCCCCC=O 349298 [2,0,0,0,0,0|0,0,1]=3 45 B8R0.4 CCCCCCCNC 104338 [2,0,0,0,0,0|1,0,1]=4 46 B8R0.4 CCCCCCOC=O 102668 [2,0,0,0,0,0|1,0,0]=3 47 B8R0.4 CCCCC\C=C\C=O 103998 [2,0,0,0,0,0|0,0,0]=2 48 B8R0.7 CC(=O)OCCCCBr 002417 [2,0,0,0,0,0|2,0,0]=4 49 B8R0.7 CCCCCCC(=O)Cl 102978 [2,0,0,0,0,0|1,0,0]=3 50 B8R0.7 CCCCCCC(=O)O 066627 [2,0,0,0,0,0|1,0,0]=3 51 B8R0.7 CCCCCCC(C)=O 242815 [2,0,0,0,0,0|0,0,0]=2 52 B8R0.7 CCCCCCC(C)N 242674 [2,0,0,0,0,0|1,0,1]=4 53 B8R0.7 CCCCCCN(C)C 046920 [2,0,0,0,0,0|2,0,0]=4 54 B8R0.7 CCCCCOC(=O)Cl 544334 [2,0,0,0,0,0|2,0,0]=4 55 B8R0.7 CCCCSCC(=O)O 351418 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.7 CCCC\C=C\C(C)=O 104079 [2,0,0,0,0,0|0,0,0]=2 57 B8R0.7 NC(=O)CCCCCBr 002966 [2,0,0,0,0,0|2,0,0]=4 58 B8R0.7 NCCCCCC(=O)O 103200 [2,0,0,0,0,0|2,0,0]=4 59 B8R0.7 O=C(Cl)CCCCCBr 003076 [2,0,0,0,0,0|2,0,0]=4 60 B8R0.7 O=C(O)CCCCCBr 002967 [2,0,0,0,0,0|2,0,0]=4 61 B10R0.3 CC(C)=CCC[C@@H](C)CCO 099344 [1,1,0,0,0,0|2,0,0]=4 62 B10R0.74 CCCCCC#CC(=O)OC 240942 [1,1,0,0,0,0|0,0,2]=4 63 B10R0.74 CCCCCCCC(=O)OC 242814 [1,1,0,0,0,0|0,0,1]=3 64 B10R0.74 COC(=O)CCCCCCBr 077282 [1,1,0,0,0,0|1,0,1]=4 65 B10R0.75 CCCCCCC(N)C(=O)O 223120 [1,1,0,0,0,0|1,0,1]=4 66 B10R0.78 CCCCC(C)CCC(=O)O 002774 [1,1,0,0,0,0|1,0,1]=4 67 B10R0.1 CCCCCCC(=O)CCC 240668 [1,1,0,0,0,0|0,0,2]=4 68 B10R0.71 CCCCCCCCCC=O 223253 [1,1,0,0,0,0|0,0,2]=4 69 B10R0.71 CCCCCCCCOC=O 102669 [1,1,0,0,0,0|0,0,2]=4 70 B10R0.71 CCCCCCC\C=C\C=O 319883 [1,1,0,0,0,0|0,0,0]=2 71 B10R0.71 CCCCC\C=C\C=C\C=O 240376 [1,1,0,0,0,0|0,0,1]=3 72 B12R0.1 CCCCCCCCC(=O)OCC 240753 [0,2,0,0,0,0|0,0,2]=4 73 B12R0.49 CCCCCC\C=C(/C)C(=O)OC 239524 [0,2,0,0,0,0|0,0,0]=2 74 B12R0.142 CCCCCC(O)CCC(=O)NC 104653 [0,2,0,0,0,0|0,0,2]=4 75 B12R0.248 CCCCCCCCCC(=O)NC 104822 [0,2,0,0,0,0|0,0,2]=4 76 B10R1.18 CC(=O)CC1CCCCC1 403679 [1,0,0,1,0,0|0,0,1]=3 77 B10R1.18 CC(=O)NC1CCNCC1 033847 [1,0,0,1,0,0|2,0,0]=4 78 B10R1.18 O=C(O)C=C1CCOCC1 040116 [1,0,0,1,0,0|2,0,0]=4 79 B10R1.18 O=C(O)CC1CCCCC1 208902 [1,0,0,1,0,0|1,0,1]=4 80 B10R1.66 NC(=O)CCC1CCCC1 403705 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.66 O=C(Cl)CCC1CCCC1 520593 [1,0,0,1,0,0|1,0,1]=4 82 B10R1.66 O=C(O)CCC1CCCC1 208901 [1,0,0,1,0,0|1,0,1]=4 83 B10R1.78 O=C1CCCCCCCN1 098992 [1,0,0,1,0,0|1,0,0]=3 84 B10R1.348 CC(=O)N1CCCNCC1 219284 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.348 O=C(O)C1CCCCCC1 066487 [1,0,0,1,0,0|1,0,1]=4 86 B10R1.21 CCCCCC1=CC=CO1 241560 [1,0,0,1,0,0|0,0,2]=4 87 B12R1.27 CNC(=O)CCC1CCCCC1 102612 [0,1,0,1,0,0|0,0,2]=4 88 B12R1.43 C=C(C)C(=O)OC1CCCCC1 106351 [0,1,0,1,0,0|2,0,0]=4 89 B12R2.24 O=C1CCC2CCCCC2C1 099192 [0,0,0,2,0,0|0,0,2]=4 90 B12R2.1081 O=C1CCC[C@@H]2CCCC[C@@H]12 245835 [0,0,0,2,0,0|0,0,2]=4 91 B12R2.2918 O=C1CC2(CCCCC2)CN1 070856 [0,0,0,2,0,0|1,0,1]=4