0 B10R0.71 CCCCCC=CC=CC=O D107642 [0,0,0,0,0,0|0,0,0]=0 1 B10R0.71 CCCCCC=CC=CC=O D303153 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.71 CCCCCC=CCCCO C153573 [0,0,0,0,0,0|0,0,4]=4 3 B10R0.71 CCCCCCCC=CC=O D117855 [0,0,0,0,0,0|0,0,2]=2 4 B10R0.71 CCCCCCCCCC=O D105551 [0,0,0,0,0,0|0,0,4]=4 5 B10R0.71 CCCCCCCCNC=O N159413 [0,0,0,0,0,0|1,0,3]=4 6 B10R0.71 CCCCCCCCOC=O O302220 [0,0,0,0,0,0|1,0,3]=4 7 B9R0.45 CCC=CCCC=CC=O T162628 [1,0,0,0,0,0|0,0,3]=4 8 B9R0.45 CCCCC=CC=CC=O N102611 [1,0,0,0,0,0|0,0,0]=1 9 B9R0.45 CCCCCC=CCCO C153389 [1,0,0,0,0,0|0,0,3]=4 10 B9R0.45 CCCCCCC=CC=O T162631 [1,0,0,0,0,0|0,0,1]=2 11 B9R0.45 CCCCCCC=CCO C153388 [1,0,0,0,0,0|0,0,3]=4 12 B9R0.45 CCCCCCC=CCO T162746 [1,0,0,0,0,0|0,0,3]=4 13 B9R0.45 CCCCCCCCC=C D106872 [1,0,0,0,0,0|0,0,3]=4 14 B9R0.45 CCCCCCCCC=C D106873 [1,0,0,0,0,0|0,0,3]=4 15 B9R0.45 CCCCCCCCC=O N111142 [1,0,0,0,0,0|0,0,3]=4 16 B11R0.3 CCCCCCC=CC=CC=O T347359 [0,1,0,0,0,0|0,0,0]=1 17 B11R0.3 CCCCCCCCC=CC=O T162343 [0,1,0,0,0,0|0,0,2]=3 18 B11R0.40 CCCCCCC=CC(=O)OC M189707 [0,1,0,0,0,0|2,0,1]=4 19 B11R0.148 CCCCCC=CCCC(=O)O D303268 [0,1,0,0,0,0|0,0,2]=3 20 B11R0.148 CCCCCCCC=CC(=O)O D303461 [0,1,0,0,0,0|0,0,2]=3 21 B11R1.4 CCCCCCC1=CC=CS1 H111808 [0,0,0,1,0,0|0,1,1]=3 22 B11R1.4 CCCCCCC1=CSC=C1 H110541 [0,0,0,1,0,0|2,0,1]=4 23 B11R1.17 C1=CC=C(C(=C1)CCCO)Br B193732 [0,0,0,1,0,0|2,0,1]=4 24 B11R1.17 CCCCC1=CC=CC=C1N B151822 [0,0,0,1,0,0|1,0,1]=3 25 B11R1.28 C1=CC=C(C=C1)CCCCBr B140194 [0,0,0,1,0,0|2,0,0]=3 26 B11R1.28 C1=CC=C(C=C1)CCCCCl P404858 [0,0,0,1,0,0|2,0,0]=3 27 B11R1.28 C1=CC=C(C=C1)CCCCN B292880 [0,0,0,1,0,0|2,0,0]=3 28 B11R1.28 C1=CC=C(C=C1)CCCCN P160136 [0,0,0,1,0,0|2,0,0]=3 29 B11R1.28 C1=CC=C(C=C1)CCCCN P160137 [0,0,0,1,0,0|2,0,0]=3 30 B11R1.28 C1=CC=C(C=C1)CCCCN P493282 [0,0,0,1,0,0|2,0,0]=3 31 B11R1.28 C1=CC=C(C=C1)CCCCO P138687 [0,0,0,1,0,0|2,0,0]=3 32 B11R1.28 C1=CC=C(C=C1)CNCCN B124211 [0,0,0,1,0,0|3,0,0]=4 33 B11R1.28 C1=CC=C(C=C1)CNCCO B111181 [0,0,0,1,0,0|3,0,0]=4 34 B11R1.28 C1=CC=C(C=C1)COCCBr B107737 [0,0,0,1,0,0|3,0,0]=4 35 B11R1.28 C1=CC=C(C=C1)COCCCl B132425 [0,0,0,1,0,0|3,0,0]=4 36 B11R1.28 C1=CC=C(C=C1)COCCN B193115 [0,0,0,1,0,0|3,0,0]=4 37 B11R1.28 C1=CC=C(C=C1)COCCO B111396 [0,0,0,1,0,0|3,0,0]=4 38 B11R1.28 C1=CC=C(C=C1)CSCCO B140387 [0,0,0,1,0,0|3,0,0]=4 39 B11R1.28 C1=CC=C(C=C1)NCCCO A151778 [0,0,0,1,0,0|3,0,0]=4 40 B11R1.28 C1=CC=C(C=C1)OCCCBr P160566 [0,0,0,1,0,0|3,0,0]=4 41 B11R1.28 C1=CC=C(C=C1)OCCCN P353595 [0,0,0,1,0,0|3,0,0]=4 42 B11R1.28 C1=CC=C(C=C1)OCCCO P160296 [0,0,0,1,0,0|3,0,0]=4 43 B11R1.28 C1=CN=CC=C1CCCCO P193755 [0,0,0,1,0,0|3,0,0]=4 44 B11R1.28 CCCC#CC1=CC=CC=C1 P404844 [0,0,0,1,0,0|1,0,2]=4 45 B11R1.28 CCCCCC1=CC=CC=C1 A151374 [0,0,0,1,0,0|1,0,0]=2 46 B11R1.28 CCCCCC1=CC=CC=N1 A132572 [0,0,0,1,0,0|1,0,0]=2 47 B11R1.28 CCCCCC1=CC=NC=C1 A151146 [0,0,0,1,0,0|2,0,0]=3 48 B11R1.28 CCCCCC1=NC=CN=C1 P345021 [0,0,0,1,0,0|2,0,0]=3 49 B11R1.28 CCCCNC1=CC=CC=C1 B140175 [0,0,0,1,0,0|2,0,0]=3 50 B11R1.28 CCCCNC1=CC=CC=C1 N590954 [0,0,0,1,0,0|2,0,0]=3 51 B11R1.28 CCCCOC1=CC=CC=C1 B153006 [0,0,0,1,0,0|2,0,0]=3 52 B11R1.28 CCCNCC1=CC=CC=C1 N191934 [0,0,0,1,0,0|2,0,0]=3 53 B11R1.28 CNCCOC1=CC=CC=C1 N169984 [0,0,0,1,0,0|3,0,0]=4 54 B11R1.28 OCCSCc1ccccc1 H109405 [0,0,0,1,0,0|3,0,0]=4 55 B11R1.41 CCOC1=CC=CC=C1C=O E123026 [0,0,0,1,0,0|1,0,2]=4 56 B11R1.180 CCCCCC1=CCCC1=O P160131 [0,0,0,1,0,0|0,0,2]=3 57 B8R0.4 CCCCCC=CC=O O105936 [2,0,0,0,0,0|0,0,0]=2 58 B8R0.4 CCCCCC=CC=O O303154 [2,0,0,0,0,0|0,0,0]=2 59 B8R0.4 CCCCCC=CCO T161811 [2,0,0,0,0,0|0,0,2]=4 60 B8R0.4 CCCCCCCC=C N109555 [2,0,0,0,0,0|0,0,2]=4 61 B8R0.4 CCCCCCCC=C N110481 [2,0,0,0,0,0|0,0,2]=4 62 B8R0.4 CCCCCCCC=O O106930 [2,0,0,0,0,0|0,0,2]=4 63 B8R0.4 CCCCCCCC=O O106931 [2,0,0,0,0,0|0,0,2]=4 64 B8R0.4 CCCCCCCC=O O345608 [2,0,0,0,0,0|0,0,2]=4 65 B8R0.4 CCCCCCOC=O H113684 [2,0,0,0,0,0|1,0,1]=4 66 B10R0.4 CCCCCCC=CC(=O)C D154240 [1,1,0,0,0,0|0,0,1]=3 67 B10R0.4 CCCCCCC=CC(=O)O N303594 [1,1,0,0,0,0|0,0,1]=3 68 B10R0.74 CCCCCC=CC(=O)OC M158154 [1,1,0,0,0,0|1,0,1]=4 69 B10R0.74 CCCCCCOC(=O)C=C H156906 [1,1,0,0,0,0|1,0,1]=4 70 B10R0.91 CCCCCC(=O)C=CC=O O274680 [1,1,0,0,0,0|0,0,0]=2 71 B10R0.91 CCCCCC(=O)OCC=C A109767 [1,1,0,0,0,0|1,0,1]=4 72 B10R0.91 CCCCCC(C=CC=O)O H274882 [1,1,0,0,0,0|0,0,1]=3 73 B12R0.5 CC=CC=CCCCCCCCO E588782 [0,2,0,0,0,0|1,0,1]=4 74 B12R0.5 CCCCCCCCCC=CC=O T162346 [0,2,0,0,0,0|0,0,2]=4 75 B12R0.234 C(CCCC=CC(=O)O)CCCO H140068 [0,2,0,0,0,0|0,0,2]=4 76 B12R0.234 CCCCCCCCC=CC(=O)O U303689 [0,2,0,0,0,0|0,0,2]=4 77 B10R1.4 CCCC1=CC=CC=C1C P160377 [1,0,0,1,0,0|1,0,1]=4 78 B10R1.4 CCCC1=CC=CC=C1N P160189 [1,0,0,1,0,0|1,0,1]=4 79 B10R1.4 CCCC1=CC=CC=C1O P160564 [1,0,0,1,0,0|0,0,2]=4 80 B10R1.17 C1=CC=C(C=C1)CCCBr B106986 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.17 C1=CC=C(C=C1)CCCCl C122445 [1,0,0,1,0,0|1,0,1]=4 82 B10R1.17 C1=CC=C(C=C1)CCCI I469194 [1,0,0,1,0,0|1,0,1]=4 83 B10R1.17 C1=CC=C(C=C1)CCCN P109694 [1,0,0,1,0,0|1,0,1]=4 84 B10R1.17 C1=CC=C(C=C1)CCCN P292870 [1,0,0,1,0,0|1,0,1]=4 85 B10R1.17 C1=CC=C(C=C1)CCCO P103663 [1,0,0,1,0,0|1,0,1]=4 86 B10R1.17 C1=CC=NC(=C1)CCCO P133143 [1,0,0,1,0,0|2,0,0]=4 87 B10R1.17 CCCCC1=CC=CC=C1 B100020 [1,0,0,1,0,0|0,0,1]=3 88 B10R1.17 CCCCC1=CC=CC=C1 B100021 [1,0,0,1,0,0|0,0,1]=3 89 B10R1.17 CCCCC1=CC=CC=C1 B128171 [1,0,0,1,0,0|0,0,1]=3 90 B10R1.17 CCCCC1=CN=CC=C1 B115782 [1,0,0,1,0,0|1,0,1]=4 91 B10R1.17 CCCC[N+]1=CC=CC=C1 B101511 [1,0,0,1,0,0|1,0,0]=3 92 B10R1.17 CCCC[N+]1=CC=CC=C1 B102654 [1,0,0,1,0,0|1,0,0]=3 93 B10R1.17 CCCC[N+]1=CC=CC=C1 B102663 [1,0,0,1,0,0|1,0,0]=3 94 B10R1.17 CCCC[N+]1=CC=CC=C1 B120504 [1,0,0,1,0,0|1,0,0]=3 95 B10R1.17 CCCOC1=CC=CC=C1 P405762 [1,0,0,1,0,0|1,0,1]=4 96 B10R1.17 CCNCC1=CC=CC=C1 E113368 [1,0,0,1,0,0|1,0,1]=4 97 B10R1.17 CCNCC1=CC=CC=N1 N170728 [1,0,0,1,0,0|2,0,0]=4 98 B10R1.17 CCNCC1=CC=CC=N1 N598953 [1,0,0,1,0,0|2,0,0]=4 99 B10R1.17 CCOCC1=CC=CC=C1 E193820 [1,0,0,1,0,0|1,0,1]=4 100 B10R1.17 CNCCC1=CC=CC=C1 N159074 [1,0,0,1,0,0|1,0,1]=4 101 B10R1.17 CNCCC1=CC=CC=N1 B102783 [1,0,0,1,0,0|2,0,0]=4 102 B10R1.17 CNCCC1=CC=CC=N1 B152161 [1,0,0,1,0,0|2,0,0]=4 103 B10R1.17 CNCCC1=CC=CC=N1 B301305 [1,0,0,1,0,0|2,0,0]=4 104 B10R1.17 CNCCC1=CC=CC=N1 B424673 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.17 CNCCC1=CC=CC=N1 M424771 [1,0,0,1,0,0|2,0,0]=4 106 B10R1.17 COCCC1=CC=CC=C1 P160567 [1,0,0,1,0,0|1,0,1]=4 107 B10R1.17 COCCC1=CC=CC=N1 M157981 [1,0,0,1,0,0|2,0,0]=4 108 B10R1.20 CCC1=CC=CC=C1C=O E486931 [1,0,0,1,0,0|0,0,2]=4 109 B10R1.21 CCCCCC1=CC=CO1 P103007 [1,0,0,1,0,0|0,0,1]=3 110 B10R1.21 CCCCCC1=CC=CS1 P160668 [1,0,0,1,0,0|0,1,0]=3 111 B10R1.21 CCCCCN1C=CN=C1 P330951 [1,0,0,1,0,0|2,0,0]=4 112 B10R1.29 CCCCC1=C(SC=C1)Br B152941 [1,0,0,1,0,0|2,0,0]=4 113 B12R1.8 C1=CC=C(C=C1)CCCCCBr B404856 [0,1,0,1,0,0|1,0,0]=3 114 B12R1.8 C1=CC=C(C=C1)CCCCCO P160162 [0,1,0,1,0,0|1,0,0]=3 115 B12R1.8 C1=CC=C(C=C1)CNCCCN N158976 [0,1,0,1,0,0|2,0,0]=4 116 B12R1.8 C1=CC=C(C=C1)CNCCCO B151809 [0,1,0,1,0,0|2,0,0]=4 117 B12R1.8 C1=CC=C(C=C1)COCCCBr B111397 [0,1,0,1,0,0|2,0,0]=4 118 B12R1.8 C1=CC=C(C=C1)COCCCBr B165144 [0,1,0,1,0,0|2,0,0]=4 119 B12R1.8 C1=CC=C(C=C1)COCCCO B151933 [0,1,0,1,0,0|2,0,0]=4 120 B12R1.8 C1=CC=C(C=C1)OCCCCBr P160718 [0,1,0,1,0,0|2,0,0]=4 121 B12R1.8 C1=CC=C(C=C1)OCCCCCl P335977 [0,1,0,1,0,0|2,0,0]=4 122 B12R1.8 CCCCC#CC1=CC=CC=C1 P160657 [0,1,0,1,0,0|1,0,1]=4 123 B12R1.8 CCCCCCC1=CC=CC=C1 H107002 [0,1,0,1,0,0|1,0,0]=3 124 B12R1.8 CCCCCCC1=CC=CC=C1 H107003 [0,1,0,1,0,0|1,0,0]=3 125 B12R1.8 CCCCCC[N+]1=CC=CC=C1 H157301 [0,1,0,1,0,0|1,0,1]=4 126 B12R1.8 CCCCCC[N+]1=CC=CC=C1 N304538 [0,1,0,1,0,0|1,0,1]=4 127 B12R1.8 CCCCNCC1=CC=CC=C1 N159171 [0,1,0,1,0,0|1,0,0]=3 128 B12R1.372 CCCCCCC1=C(SC=C1)Br B100758 [0,1,0,1,0,0|1,0,1]=4 129 B12R1.372 CCCCCCC1=C(SC=C1)Cl C153407 [0,1,0,1,0,0|1,0,1]=4 130 B12R1.1410 CCCCCC1C(O1)C=CC=O T345762 [0,1,0,1,0,0|0,0,2]=4 131 B12R1.28 CCCCCC1=CC=CC(=O)O1 P134904 [0,1,0,1,0,0|0,0,0]=2 132 B12R1.28 CCCCOC1=CC=CC(=C1)O B152843 [0,1,0,1,0,0|1,0,1]=4 133 B12R1.69 CCCCC1=C(C=C(C=C1)O)O B152158 [0,1,0,1,0,0|0,0,2]=4 134 B12R1.1 CCCCCC1=CC=C(C=C1)Br P115517 [0,1,0,1,0,0|1,0,0]=3 135 B12R1.1 CCCCCC1=CC=C(C=C1)N A151044 [0,1,0,1,0,0|1,0,0]=3 136 B12R1.1 CCCCCC1=CC=C(C=C1)O A131897 [0,1,0,1,0,0|1,0,0]=3 137 B12R1.1 CCCCOC1=CC=C(C=C1)N B151816 [0,1,0,1,0,0|2,0,0]=4 138 B12R1.1 CCCCOC1=CC=C(C=C1)O B152847 [0,1,0,1,0,0|2,0,0]=4 139 B12R1.7 CCCCCCC1=CC=C(S1)Br B140304 [0,1,0,1,0,0|0,1,1]=4 140 B12R1.30 CCCCC(=O)C1=CC=CC=C1 V107009 [0,1,0,1,0,0|1,0,1]=4 141 B12R1.30 CCCCC(C1=CC=CC=C1)O P160160 [0,1,0,1,0,0|1,0,0]=3 142 B12R1.30 CCCCC(C1=CC=CC=C1)O P424881 [0,1,0,1,0,0|1,0,0]=3 143 B12R1.30 CNCCC(C1=CC=CC=C1)O A136323 [0,1,0,1,0,0|2,0,0]=4 144 B12R1.567 CCCCCC1=C(CCC1=O)C D154787 [0,1,0,1,0,0|0,0,2]=4 145 B12R1.35 CCCCCC(=O)C1=CC=CO1 H339726 [0,1,0,1,0,0|0,0,1]=3 146 B12R1.125 CC(CCC1=CC=CC=C1Cl)N S286923 [0,1,0,1,0,0|1,0,1]=4 147 B12R1.252 CC(COCC1=CC=CC=C1)O B123078 [0,1,0,1,0,0|2,0,0]=4 148 B12R1.252 CC(COCC1=CC=CC=C1)O B123080 [0,1,0,1,0,0|2,0,0]=4 149 B12R2.2 C1CC(NC1)C2=CC=CC=C2 P345688 [0,0,0,2,0,0|2,0,0]=4 150 B12R2.2 C1CC(NC1)C2=CC=CC=C2 R176807 [0,0,0,2,0,0|2,0,0]=4 151 B12R2.2 C1CCN(C1)C2=CC=CC=C2 P332600 [0,0,0,2,0,0|2,0,0]=4 152 B12R2.24 CC1CCC2=CC=CC=C2N1 T162315 [0,0,0,2,0,0|1,0,1]=4 153 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T102999 [0,0,0,2,0,0|2,0,0]=4 154 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T113718 [0,0,0,2,0,0|2,0,0]=4 155 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T113722 [0,0,0,2,0,0|2,0,0]=4 156 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T401554 [0,0,0,2,0,0|2,0,0]=4 157 B12R2.1081 C1CC(C2=CC=CC=C2C1)O R160835 [0,0,0,2,0,0|2,0,0]=4 158 B12R2.1081 C1CC(C2=CC=CC=C2C1)O S161373 [0,0,0,2,0,0|2,0,0]=4 159 B12R2.1081 C1CC(C2=CC=CC=C2C1)O T161537 [0,0,0,2,0,0|2,0,0]=4 160 B12R2.1081 C1CC2=C(C=CC=N2)C(=O)C1 T176711 [0,0,0,2,0,0|1,0,1]=4 161 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 T106838 [0,0,0,2,0,0|0,0,2]=4 162 B12R2.1081 C1CCC2=C(C1)C=CC=C2N T103086 [0,0,0,2,0,0|1,0,1]=4 163 B12R2.1081 C1CCC2=C(C1)C=CC=C2O T162494 [0,0,0,2,0,0|0,0,2]=4 164 B12R2.1081 CC1C2=CC=CC=C2CCN1 M193575 [0,0,0,2,0,0|2,0,0]=4 165 B12R2.1081 CC1CNCC2=CC=CC=C12 P165923 [0,0,0,2,0,0|2,0,0]=4 166 B12R2.2057 C1CC1NCC2=CC=CC=C2 N181212 [0,0,0,2,0,0|2,0,0]=4 167 B12R2.18 CC1CC2=CC=CC=C2C1=O M587676 [0,0,0,2,0,0|0,0,2]=4