0 B11R0.148 C=CCCCCCCCC(=O)O 002775 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.148 CCCCCCCCCC(=O)Cl 099542 [0,0,0,0,0,0|1,0,0]=1 2 B11R0.148 CCCCCCCCCC(=O)O 102961 [0,0,0,0,0,0|0,0,0]=0 3 B11R0.148 CCCCCCCCCC(C)=O 106727 [0,0,0,0,0,0|1,0,0]=1 4 B11R0.148 CCCCCCCCCC(N)=O 180363 [0,0,0,0,0,0|1,0,0]=1 5 B11R0.148 CCCCCCCCNC(N)=S 018931 [0,0,0,0,0,0|2,1,0]=3 6 B11R0.148 COCCOCCOCC(=O)O 104092 [0,0,0,0,0,0|3,0,0]=3 7 B11R0.148 O=C(O)CCCCCCCCBr 036989 [0,0,0,0,0,0|1,0,0]=1 8 B10R0.4 CCCCCCCCC(=O)Cl 099081 [1,0,0,0,0,0|1,0,0]=2 9 B10R0.4 CCCCCCCCC(=O)O 161400 [1,0,0,0,0,0|0,0,0]=1 10 B10R0.4 CCCCCCCCC(N)=O 099214 [1,0,0,0,0,0|1,0,0]=2 11 B10R0.4 CCCCCCCCN(C)C 098964 [1,0,0,0,0,0|3,0,0]=4 12 B10R0.4 CCCCCCCNC(C)=O 104336 [1,0,0,0,0,0|2,0,0]=3 13 B10R0.4 CCCCCCCOC(=O)Cl 024777 [1,0,0,0,0,0|2,0,0]=3 14 B10R0.4 NC(=O)CCCCCCCBr 104466 [1,0,0,0,0,0|2,0,0]=3 15 B10R0.4 O=C(Cl)CCCCCCCBr 477501 [1,0,0,0,0,0|2,0,0]=3 16 B10R0.4 O=C(O)CCCCCCCBr BR1099 [1,0,0,0,0,0|1,0,0]=2 17 B10R0.71 C=CCCCCCCCCBr 003439 [1,0,0,0,0,0|2,0,0]=3 18 B10R0.71 C=CCCCCCCCCI 105744 [1,0,0,0,0,0|2,0,0]=3 19 B10R0.71 C=CCCCCCCCCO 102610 [1,0,0,0,0,0|2,0,0]=3 20 B10R0.71 CCCCC#CCCCCO 009120 [1,0,0,0,0,0|0,0,3]=4 21 B10R0.71 CCCCCCCC#CCO 009119 [1,0,0,0,0,0|0,0,3]=4 22 B10R0.71 CCCCCCCCCC#N 099664 [1,0,0,0,0,0|1,0,1]=3 23 B10R0.71 CCCCCCCCCC=O 223253 [1,0,0,0,0,0|0,0,0]=1 24 B10R0.71 CCCCCCCCCCBr 099716 [1,0,0,0,0,0|1,0,1]=3 25 B10R0.71 CCCCCCCCCCF 004615 [1,0,0,0,0,0|1,0,1]=3 26 B10R0.71 CCCCCCCCCCI 148000 [1,0,0,0,0,0|1,0,1]=3 27 B10R0.71 CCCCCCCCCCN 240983 [1,0,0,0,0,0|1,0,1]=3 28 B10R0.71 CCCCCCCCCCO 043323 [1,0,0,0,0,0|0,0,1]=2 29 B10R0.71 CCCCCCCCCCS 098561 [1,0,0,0,0,0|0,1,1]=3 30 B10R0.71 CCCCCCCCCSC 099662 [1,0,0,0,0,0|2,0,0]=3 31 B10R0.71 CCCCCCCCN=C=O 104259 [1,0,0,0,0,0|1,0,1]=3 32 B10R0.71 CCCCCCCCOC=O 102669 [1,0,0,0,0,0|1,0,0]=2 33 B10R0.71 CCCCCCC\C=C\C=O 319883 [1,0,0,0,0,0|0,0,2]=3 34 B10R0.71 CCCCCCNCCC#N 018707 [1,0,0,0,0,0|2,0,1]=4 35 B10R0.71 CCCCCCNCCCC 105063 [1,0,0,0,0,0|2,0,1]=4 36 B10R0.71 CCCCCCNCCCN 105016 [1,0,0,0,0,0|2,0,1]=4 37 B10R0.71 CCCCCNCCCCC 098918 [1,0,0,0,0,0|2,0,1]=4 38 B10R0.71 CCCCOCCOCCO 448626 [1,0,0,0,0,0|2,0,1]=4 39 B10R0.71 ClCCCCCCCCCCl 210315 [1,0,0,0,0,0|2,0,1]=4 40 B10R0.71 NCCCCCCCCCN 493684 [1,0,0,0,0,0|2,0,1]=4 41 B10R0.71 OCCCCCCCCCBr 040707 [1,0,0,0,0,0|1,0,1]=3 42 B12R0.184 COC(=O)CCCCCCC(=O)O 240769 [0,1,0,0,0,0|1,0,1]=3 43 B12R0.234 C=CCCCCCCCCC(=O)O 228026 [0,1,0,0,0,0|0,0,1]=2 44 B12R0.234 C=CCCCCCCCCC(=O)O 386316 [0,1,0,0,0,0|0,0,1]=2 45 B12R0.234 CCCCCCCCCCN(C)C 460597 [0,1,0,0,0,0|3,0,0]=4 46 B12R0.234 O=C(O)CCCCCCCCCBr 215643 [0,1,0,0,0,0|0,0,0]=1 47 B12R0.248 CCCCCCCCCC(=O)NC 104822 [0,1,0,0,0,0|1,0,0]=2 48 B12R0.248 CCCCCCCCCC(C)C=O 103624 [0,1,0,0,0,0|1,0,1]=3 49 B12R0.248 CCCCCCCCNC(=S)NN 018930 [0,1,0,0,0,0|2,1,0]=4 50 B12R0.277 CCOC(=O)CCCCCC(=O)O 024652 [0,1,0,0,0,0|1,0,1]=3 51 B12R1.28 CCCCCC1CCCC(=O)O1 235502 [0,0,0,1,0,0|0,0,0]=1 52 B12R1.252 O=C(O)CCCC1CCCCC1 099671 [0,0,0,1,0,0|0,0,0]=1 53 B12R1.252 O=C(O)CCCC1CCNCC1 040577 [0,0,0,1,0,0|1,0,0]=2 54 B12R1.255 O=C(O)CCCCC1CCSS1 079457 [0,0,0,1,0,0|2,0,0]=3 55 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 091927 [0,0,0,1,0,0|2,0,0]=3 56 B9R0.2 CCCCCCCC(=O)Cl 099180 [2,0,0,0,0,0|1,0,0]=3 57 B9R0.2 CCCCCCCC(=O)O 094565 [2,0,0,0,0,0|0,0,0]=2 58 B9R0.2 CCCCCCCC(C)=O 349299 [2,0,0,0,0,0|1,0,0]=3 59 B9R0.2 CCCCCCCC(C)O 321952 [2,0,0,0,0,0|1,0,1]=4 60 B9R0.2 CCCCCCOC(C)=O 102343 [2,0,0,0,0,0|2,0,0]=4 61 B9R0.2 NCCCCCCC(=O)O 078953 [2,0,0,0,0,0|1,0,0]=3 62 B9R0.2 O=C(O)CCCCCCBr 236587 [2,0,0,0,0,0|1,0,0]=3 63 B9R0.45 BrCCCCCCCCBr 212569 [2,0,0,0,0,0|2,0,0]=4 64 B9R0.45 C#CCCCCCCCC 124500 [2,0,0,0,0,0|0,0,2]=4 65 B9R0.45 C#CCCCCCCCO 243040 [2,0,0,0,0,0|0,0,2]=4 66 B9R0.45 C=CCCCCCCCBr 080314 [2,0,0,0,0,0|1,0,1]=4 67 B9R0.45 C=CCCCCCCCC 200050 [2,0,0,0,0,0|0,0,1]=3 68 B9R0.45 C=CCCCCCCNC 104201 [2,0,0,0,0,0|1,0,1]=4 69 B9R0.45 CCCCCCCCC=O 018925 [2,0,0,0,0,0|0,0,0]=2 70 B9R0.45 CCCCCCCCCBr 001132 [2,0,0,0,0,0|1,0,0]=3 71 B9R0.45 CCCCCCCCCC 520891 [2,0,0,0,0,0|0,0,1]=3 72 B9R0.45 CCCCCCCCCI 149300 [2,0,0,0,0,0|1,0,0]=3 73 B9R0.45 CCCCCCCCCN 018926 [2,0,0,0,0,0|1,0,0]=3 74 B9R0.45 CCCCCCCCCO 101572 [2,0,0,0,0,0|0,0,0]=2 75 B9R0.45 CCCCCCCCNC 046353 [2,0,0,0,0,0|1,0,1]=4 76 B9R0.45 CCCCCCCN=C=O 050930 [2,0,0,0,0,0|1,0,1]=4 77 B9R0.45 CCCCCCNCCN 457429 [2,0,0,0,0,0|2,0,0]=4 78 B9R0.45 CCCCCC\C=C\C=O 106390 [2,0,0,0,0,0|0,0,2]=4 79 B9R0.45 CCCCCNCCCC 105047 [2,0,0,0,0,0|1,0,1]=4 80 B9R0.45 CCCCCNCCCN 104978 [2,0,0,0,0,0|2,0,0]=4 81 B9R0.45 CC\C=C/CCCCC=O 106733 [2,0,0,0,0,0|0,0,2]=4 82 B9R0.45 ClCCCCCCCCCl 099031 [2,0,0,0,0,0|2,0,0]=4 83 B9R0.45 ICCCCCCCCI 104507 [2,0,0,0,0,0|2,0,0]=4 84 B9R0.45 NCCCCCCCCN 462631 [2,0,0,0,0,0|2,0,0]=4 85 B9R0.45 OCCCCCCCCBr 037015 [2,0,0,0,0,0|1,0,0]=3 86 B9R0.45 OCCCCCCCCO 078005 [2,0,0,0,0,0|1,0,0]=3 87 B11R0.30 CC(=O)NCCCCCC(=O)O 066650 [1,1,0,0,0,0|1,0,1]=4 88 B11R0.30 O=C(O)CCCCCCC(=O)O 079481 [1,1,0,0,0,0|1,0,1]=4 89 B11R0.40 CCCCCCC#CC(=O)OC 106728 [1,1,0,0,0,0|0,0,2]=4 90 B11R0.40 CCCCCCCCC(C)C=O 102661 [1,1,0,0,0,0|1,0,1]=4 91 B11R0.40 CCCCCCCCC(C)CO 104618 [1,1,0,0,0,0|1,0,1]=4 92 B11R0.40 CNC(=O)CCCCCCCBr 104471 [1,1,0,0,0,0|2,0,0]=4 93 B11R0.46 CCCCCC(O)CCC(N)=O 104651 [1,1,0,0,0,0|1,0,0]=3 94 B11R0.159 CCCCCCCCS(=O)(=O)Cl 239556 [1,1,0,0,0,0|1,0,1]=4 95 B11R0.159 CCCCCCCCS(=O)(=O)[O-] 009637 [1,1,0,0,0,0|1,0,1]=4 96 B11R0.176 CCOC(=O)CCCCC(=O)O 013394 [1,1,0,0,0,0|1,0,1]=4 97 B11R0.3 BrCCCCCCCCCCBr 126000 [1,1,0,0,0,0|1,0,1]=4 98 B11R0.3 C#CCCCCCCCCCO 013739 [1,1,0,0,0,0|0,0,2]=4 99 B11R0.3 C=CCCCCCCCCCBr 001789 [1,1,0,0,0,0|1,0,0]=3 100 B11R0.3 C=CCCCCCCCCCC 200052 [1,1,0,0,0,0|1,0,0]=3 101 B11R0.3 C=CCCCCCCCCCCl 005335 [1,1,0,0,0,0|1,0,0]=3 102 B11R0.3 C=CCCCCCCCCCO 075031 [1,1,0,0,0,0|1,0,0]=3 103 B11R0.3 CCCCCCCCCCCC 099221 [1,1,0,0,0,0|1,0,1]=4 104 B11R0.3 CCCCCCCCCCCO 349306 [1,1,0,0,0,0|0,0,1]=3 105 B11R0.3 CCCCCCCCNCCC 105042 [1,1,0,0,0,0|1,0,1]=4 106 B11R0.3 CCCCCCCC\C=C\C=O 104010 [1,1,0,0,0,0|0,0,1]=3 107 B11R0.3 CNCCCCCCCCCO 104744 [1,1,0,0,0,0|0,0,1]=3 108 B11R0.3 C\C=C\CCCCCCCC=O 104614 [1,1,0,0,0,0|0,0,1]=3 109 B11R0.3 ICCCCCCCCCCI 241327 [1,1,0,0,0,0|1,0,1]=4 110 B11R0.3 NCCCCCCCCCCN 235695 [1,1,0,0,0,0|1,0,1]=4 111 B11R0.3 OCCCCCCCCCCO 221944 [1,1,0,0,0,0|0,0,1]=3 112 B11R0.140 CCCCCC(O)CCCCC 180377 [1,1,0,0,0,0|1,0,1]=4 113 B13R0.438 CCCCCCC(O)C(C)CC(N)=O 104660 [0,2,0,0,0,0|1,0,0]=3 114 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] 009634 [0,2,0,0,0,0|1,0,1]=4 115 B13R0.54 CCCCCCCCCCCC(=O)Cl 510088 [0,2,0,0,0,0|1,0,0]=3 116 B13R0.54 CCCCCCCCCCCC(=O)O 098848 [0,2,0,0,0,0|0,0,0]=2 117 B13R0.54 CCCCCCCCCCCC(C)=O 232943 [0,2,0,0,0,0|1,0,0]=3 118 B13R0.54 NC(=O)CCCCCCCCCCBr 104898 [0,2,0,0,0,0|1,0,0]=3 119 B13R0.54 NCCCCCCCCCCC(=O)O 239061 [0,2,0,0,0,0|0,0,0]=2 120 B13R0.54 O=C(Cl)CCCCCCCCCCBr 477866 [0,2,0,0,0,0|1,0,0]=3 121 B13R0.54 O=C(O)CCCCCCCCCCBr 216501 [0,2,0,0,0,0|0,0,0]=2 122 B13R0.54 O=C(O)CCCCCCCCCCO 008686 [0,2,0,0,0,0|0,0,0]=2 123 B13R0.154 CCCCCCCC(O)CCC(N)=O 104685 [0,2,0,0,0,0|1,0,0]=3 124 B13R0.179 O=C(Cl)CCCCCCCCC(=O)Cl 245759 [0,2,0,0,0,0|1,0,1]=4 125 B13R0.179 O=C(O)CCCCCCCCC(=O)O 239585 [0,2,0,0,0,0|0,0,1]=3 126 B11R1.27 CCCCCC1CCC(=O)O1 517774 [1,0,0,1,0,0|0,0,0]=2 127 B11R1.91 NC(=O)CCC1CCCCC1 102611 [1,0,0,1,0,0|1,0,0]=3 128 B11R1.91 O=C(Cl)CCC1CCCCC1 356854 [1,0,0,1,0,0|1,0,0]=3 129 B11R1.91 O=C(O)CCC1CCCCC1 242639 [1,0,0,1,0,0|0,0,0]=2 130 B11R1.91 O=C(O)CCN1CCCCC1 223466 [1,0,0,1,0,0|1,0,0]=3 131 B11R1.91 O=C(O)CCN1CCNCC1 020099 [1,0,0,1,0,0|2,0,0]=4 132 B11R1.91 O=C(O)CCN1CCOCC1 019995 [1,0,0,1,0,0|2,0,0]=4 133 B11R1.172 O=C(O)CCCN1CCCC1 094437 [1,0,0,1,0,0|1,0,0]=3 134 B11R1.180 CCCCCC1CCCC1=O 239571 [1,0,0,1,0,0|0,0,0]=2 135 B11R1.180 CCCCCC1CCCC1O 104687 [1,0,0,1,0,0|0,0,1]=3 136 B13R1.27 CCCCCCCC1CCC(=O)O1 240934 [0,1,0,1,0,0|0,0,0]=2 137 B13R1.190 CCCCCCC1OC(=O)CC1C 238415 [0,1,0,1,0,0|0,0,0]=2 138 B13R1.337 O=C(O)CCCCC1CCCCC1 105833 [0,1,0,1,0,0|0,0,0]=2 139 B13R1.3523 O=S(=O)(O)CCNC1CCCCC1 045153 [0,1,0,1,0,0|2,0,0]=4 140 B13R1.279 O=C1CCCCCCCCCCC1 099330 [0,1,0,1,0,0|1,0,0]=3 141 B13R1.45 O=C(O)CCC(=O)N1CCCCC1 034943 [0,1,0,1,0,0|1,0,1]=4 142 B13R2.4820 O=C1NCCN2CCCCCC12 026339 [0,0,0,2,0,0|2,0,0]=4 143 B13R2.435 [C@@H]12CCCC[C@@H]1N[C@H](C(=O)O)C2 078051 [0,0,0,2,0,0|1,0,0]=3