0 B10R0.71 CCC=CCCCCCCO TS10743 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.71 CCCCC=CCCCCO TS10746 [0,0,0,0,0,0|0,0,4]=4 2 B10R0.71 CCCCC=CCCCCO TS10765 [0,0,0,0,0,0|0,0,4]=4 3 B10R0.71 CCCCCC=CC=CC=C TS40931 [0,0,0,0,0,0|1,0,1]=2 4 B10R0.71 CCCCCC=CC=CC=O TS41184 [0,0,0,0,0,0|0,0,2]=2 5 B10R0.71 CCCCCC=CC=CCO TS41441 [0,0,0,0,0,0|0,0,0]=0 6 B10R0.71 CCCCCC=CCCC=O TS10501 [0,0,0,0,0,0|0,0,4]=4 7 B10R0.71 CCCCCC=CCCC=O TS41430 [0,0,0,0,0,0|0,0,4]=4 8 B10R0.71 CCCCCC=CCCCO TS10760 [0,0,0,0,0,0|0,0,2]=2 9 B10R0.71 CCCCCCC#CCCO TS41425 [0,0,0,0,0,0|0,0,4]=4 10 B10R0.71 CCCCCCCC#CCO TS10482 [0,0,0,0,0,0|0,0,4]=4 11 B10R0.71 CCCCCCCC=CC=O TS41440 [0,0,0,0,0,0|0,0,4]=4 12 B10R0.71 CCCCCCCC=CCO TS41687 [0,0,0,0,0,0|0,0,2]=2 13 B10R0.71 CCCCCCCCCCO TS41975 [0,0,0,0,0,0|0,0,4]=4 14 B10R0.71 CCCCCCCOCCO TS11305 [0,0,0,0,0,0|1,0,3]=4 15 B9R0.45 CC=CC=CCCCCO TS06516 [1,0,0,0,0,0|1,0,0]=2 16 B9R0.45 CCC=CCC=CCCO TS06496 [1,0,0,0,0,0|0,0,3]=4 17 B9R0.45 CCC=CCC=CCCO TS06509 [1,0,0,0,0,0|0,0,3]=4 18 B9R0.45 CCC=CCCC=CCO TS06504 [1,0,0,0,0,0|0,0,3]=4 19 B9R0.45 CCC=CCCCCCO TS06747 [1,0,0,0,0,0|1,0,2]=4 20 B9R0.45 CCCCC=CC=CC=O TS37223 [1,0,0,0,0,0|0,0,2]=3 21 B9R0.45 CCCCC=CC=CCO TS06495 [1,0,0,0,0,0|0,0,0]=1 22 B9R0.45 CCCCC=CCCCC TS06526 [1,0,0,0,0,0|1,0,2]=4 23 B9R0.45 CCCCC=CCCCC TS06534 [1,0,0,0,0,0|1,0,2]=4 24 B9R0.45 CCCCCC#CCCO TS06497 [1,0,0,0,0,0|0,0,3]=4 25 B9R0.45 CCCCCC=CCCC TS06525 [1,0,0,0,0,0|0,0,2]=3 26 B9R0.45 CCCCCC=CCCC TS06539 [1,0,0,0,0,0|0,0,2]=3 27 B9R0.45 CCCCCC=CCCO TS06745 [1,0,0,0,0,0|0,0,1]=2 28 B9R0.45 CCCCCC=COCC TS06766 [1,0,0,0,0,0|1,0,1]=3 29 B9R0.45 CCCCCCC#CCO TS06501 [1,0,0,0,0,0|0,0,3]=4 30 B9R0.45 CCCCCCC=CC=O TS37409 [1,0,0,0,0,0|0,0,2]=3 31 B9R0.45 CCCCCCC=CCC TS06528 [1,0,0,0,0,0|0,0,2]=3 32 B9R0.45 CCCCCCC=CCC TS06538 [1,0,0,0,0,0|0,0,2]=3 33 B9R0.45 CCCCCCC=CCO TS37637 [1,0,0,0,0,0|0,0,1]=2 34 B9R0.45 CCCCCCCCCO TS07020 [1,0,0,0,0,0|0,0,3]=4 35 B9R0.45 CCCCCCNCCO TS40337 [1,0,0,0,0,0|1,0,2]=4 36 B9R0.45 CCCCCCOCCO TS07250 [1,0,0,0,0,0|1,0,2]=4 37 B9R0.45 CCCCCCSCCO TS42515 [1,0,0,0,0,0|1,0,2]=4 38 B11R0.3 CCCCCCC=CC=CC=O TS43133 [0,1,0,0,0,0|0,0,2]=3 39 B11R0.3 CCCCCCC=CC=CCO TS44924 [0,1,0,0,0,0|0,0,0]=1 40 B11R0.3 CCCCCCCCC=CCO TS12884 [0,1,0,0,0,0|0,0,2]=3 41 B11R0.4 CCCCCC=CC(=O)OCC TS12851 [0,1,0,0,0,0|2,0,0]=3 42 B11R0.4 CCOC(=O)C=CCCCCCl TS51211 [0,1,0,0,0,0|3,0,0]=4 43 B11R0.40 CCCCCC=CCC(=O)OC TS12844 [0,1,0,0,0,0|2,0,1]=4 44 B11R0.40 CCCCCCC=CC(=O)OC TS45171 [0,1,0,0,0,0|2,0,1]=4 45 B11R0.140 CCCCOC(=O)C=CC=CC TS44903 [0,1,0,0,0,0|2,0,1]=4 46 B11R0.148 B(C=CCCCCCCC)(O)O TS12749 [0,1,0,0,0,0|1,0,2]=4 47 B11R0.148 CCCCCC=CCCC(=O)O TS45160 [0,1,0,0,0,0|0,0,3]=4 48 B11R0.148 CCCCCCCC=CC(=O)O TS12863 [0,1,0,0,0,0|0,0,3]=4 49 B11R1.4 CCCCCCc1cccs1 TS65619 [0,0,0,1,0,0|0,1,2]=4 50 B11R1.4 CCCCCCc1ccsc1 TS02785 [0,0,0,1,0,0|2,0,1]=4 51 B11R1.17 CCCCc1ccccc1N TS07609 [0,0,0,1,0,0|1,0,2]=4 52 B11R1.17 c1ccc(c(c1)CCCN)O TS10076 [0,0,0,1,0,0|1,0,2]=4 53 B11R1.28 CCCCCc1ccccc1 TS07508 [0,0,0,1,0,0|1,0,1]=3 54 B11R1.28 CCCCCc1ccccn1 TS07608 [0,0,0,1,0,0|1,0,1]=3 55 B11R1.28 CCCCNc1ccccc1 TS07616 [0,0,0,1,0,0|2,0,1]=4 56 B11R1.28 CCCCOc1ccccc1 TS40903 [0,0,0,1,0,0|2,0,1]=4 57 B11R1.28 CCCCOc1ccccn1 TS41040 [0,0,0,1,0,0|2,0,1]=4 58 B11R1.28 CCCNCc1ccccc1 TS40768 [0,0,0,1,0,0|2,0,1]=4 59 B11R1.28 CCOCCc1ccccn1 TS41030 [0,0,0,1,0,0|2,0,1]=4 60 B11R1.28 CNCCCc1ccccc1 TS07594 [0,0,0,1,0,0|2,0,1]=4 61 B11R1.28 c1ccc(cc1)CCCCBr TS08029 [0,0,0,1,0,0|2,0,1]=4 62 B11R1.28 c1ccc(cc1)CCCCN TS40769 [0,0,0,1,0,0|2,0,1]=4 63 B11R1.28 c1ccc(cc1)CCCCO TS09769 [0,0,0,1,0,0|2,0,1]=4 64 B11R1.41 CCOc1ccccc1CO TS10180 [0,0,0,1,0,0|1,0,2]=4 65 B8R0.4 C=CCCCC=CCO TS05204 [2,0,0,0,0,0|0,0,2]=4 66 B8R0.4 CCC=CCCCCO TS36323 [2,0,0,0,0,0|1,0,1]=4 67 B8R0.4 CCCC=CC=CC=O TS36011 [2,0,0,0,0,0|0,0,2]=4 68 B8R0.4 CCCC=CC=CCO TS36154 [2,0,0,0,0,0|0,0,0]=2 69 B8R0.4 CCCCC=CC=CC TS05047 [2,0,0,0,0,0|0,0,0]=2 70 B8R0.4 CCCCC=CCCC TS05206 [2,0,0,0,0,0|0,0,2]=4 71 B8R0.4 CCCCC=CCCO TS36327 [2,0,0,0,0,0|0,0,1]=3 72 B8R0.4 CCCCC=COCC TS05398 [2,0,0,0,0,0|1,0,1]=4 73 B8R0.4 CCCCCC#CC=C TS32531 [2,0,0,0,0,0|0,0,2]=4 74 B8R0.4 CCCCCC#CCO TS05190 [2,0,0,0,0,0|0,0,2]=4 75 B8R0.4 CCCCCC=CC=O TS36157 [2,0,0,0,0,0|0,0,1]=3 76 B8R0.4 CCCCCC=CCC TS36181 [2,0,0,0,0,0|0,0,1]=3 77 B8R0.4 CCCCCC=CCO TS05393 [2,0,0,0,0,0|0,0,0]=2 78 B8R0.4 CCCCCCC=CC TS05227 [2,0,0,0,0,0|0,0,1]=3 79 B8R0.4 CCCCCCC=NO TS36429 [2,0,0,0,0,0|1,0,1]=4 80 B8R0.4 CCCCCCCC=C TS05208 [2,0,0,0,0,0|0,0,2]=4 81 B8R0.4 CCCCCCCCO TS36550 [2,0,0,0,0,0|0,0,2]=4 82 B8R0.4 CCCCCNCCO TS36622 [2,0,0,0,0,0|1,0,1]=4 83 B8R0.4 CCCCCOCC=C TS05379 [2,0,0,0,0,0|1,0,1]=4 84 B8R0.4 CCCCCOCCO TS36691 [2,0,0,0,0,0|1,0,1]=4 85 B10R0.4 B(C=CCCCCCC)(O)O TS41569 [1,1,0,0,0,0|1,0,1]=4 86 B10R0.4 CCCCCC=CCC(=O)O TS41642 [1,1,0,0,0,0|0,0,1]=3 87 B10R0.4 CCCCCCC=CC(=O)C TS10484 [1,1,0,0,0,0|0,0,1]=3 88 B10R0.4 CCCCCCC=CC(=O)O TS41637 [1,1,0,0,0,0|0,0,1]=3 89 B10R0.74 CCC(=O)OCC=CC=CC TS41399 [1,1,0,0,0,0|1,0,1]=4 90 B10R0.74 CCCCCC=CC(=O)OC TS10720 [1,1,0,0,0,0|1,0,0]=3 91 B10R0.91 CCCCCC(C=CC=O)O TS41640 [1,1,0,0,0,0|0,0,2]=4 92 B12R0.5 CCCCCC=CCCC=CC=O TS14668 [0,2,0,0,0,0|0,0,2]=4 93 B12R0.5 CCCCCCCC=CC=CC=O TS14669 [0,2,0,0,0,0|0,0,2]=4 94 B12R0.5 CCCCCCCCCC=CCO TS48639 [0,2,0,0,0,0|0,0,2]=4 95 B12R0.248 CCCCCC=CC=CC(=O)OC TS15018 [0,2,0,0,0,0|0,0,1]=3 96 B10R1.4 CCCc1ccccc1C TS05927 [1,0,0,1,0,0|0,0,2]=4 97 B10R1.4 CCCc1ccccc1O TS06077 [1,0,0,1,0,0|0,0,2]=4 98 B10R1.17 CCCC[n+]1ccccc1 TS21989 [1,0,0,1,0,0|1,0,1]=4 99 B10R1.17 CCCC[n+]1ccccc1 TS45400 [1,0,0,1,0,0|1,0,1]=4 100 B10R1.17 CCCCc1ccccc1 TS36870 [1,0,0,1,0,0|0,0,2]=4 101 B10R1.17 CCCCc1ccccn1 TS06002 [1,0,0,1,0,0|1,0,1]=4 102 B10R1.17 CCCCc1cccnc1 TS06012 [1,0,0,1,0,0|2,0,0]=4 103 B10R1.21 CCCCCc1cccs1 TS10504 [1,0,0,1,0,0|0,1,0]=3 104 B10R1.21 CCCCCc1ccsc1 TS41456 [1,0,0,1,0,0|1,0,1]=4 105 B10R1.21 c1cc(oc1)CSCCN TS10886 [1,0,0,1,0,0|2,0,0]=4 106 B10R1.161 COC1=CCCCCCC1 TS06514 [1,0,0,1,0,0|1,0,1]=4 107 B10R1.185 C1CCCCC=CCCC1 TS06318 [1,0,0,1,0,0|0,0,2]=4 108 B12R1.8 C1CCOC(C1)OCC=CCO TS64980 [0,1,0,1,0,0|1,0,1]=4 109 B12R1.8 CCCCCCc1ccccc1 TS11621 [0,1,0,1,0,0|1,0,1]=4 110 B12R1.8 CCCCCCc1ccccn1 TS42629 [0,1,0,1,0,0|1,0,1]=4 111 B12R1.8 CCCCCCc1cccnc1 TS11745 [0,1,0,1,0,0|2,0,0]=4 112 B12R1.8 CCCCCNc1ccccc1 TS42630 [0,1,0,1,0,0|1,0,1]=4 113 B12R1.8 CCCCOCc1ccccc1 TS42802 [0,1,0,1,0,0|1,0,1]=4 114 B12R1.8 CCCNCCc1ccccn1 TS11944 [0,1,0,1,0,0|1,0,1]=4 115 B12R1.8 CCCOCCc1ccccn1 TS42951 [0,1,0,1,0,0|1,0,1]=4 116 B12R1.8 CNCCCCc1cccnc1 TS42807 [0,1,0,1,0,0|2,0,0]=4 117 B12R1.8 c1ccc(cc1)CCCCCBr TS24328 [0,1,0,1,0,0|1,0,1]=4 118 B12R1.8 c1ccc(cc1)CCCCCN TS11750 [0,1,0,1,0,0|1,0,1]=4 119 B12R1.37 CCCCCCCc1ccco1 TS12290 [0,1,0,1,0,0|0,0,2]=4 120 B12R1.121 CNCCc1ccccc1CO TS12075 [0,1,0,1,0,0|0,0,2]=4 121 B12R1.550 C1CCC=CCC=CCC=CC1 TS11622 [0,1,0,1,0,0|1,0,1]=4 122 B12R1.28 CCCCCc1cccc(=O)o1 TS12253 [0,1,0,1,0,0|0,0,1]=3 123 B12R1.28 CCCCCc1cccc(c1)O TS42792 [0,1,0,1,0,0|0,0,1]=3 124 B12R1.28 CCCCOc1cccc(c1)O TS12260 [0,1,0,1,0,0|1,0,1]=4 125 B12R1.32 CCCC(C)Cc1ccccc1 TS11628 [0,1,0,1,0,0|1,0,1]=4 126 B12R1.308 CCCC(C)c1ccccc1O TS42783 [0,1,0,1,0,0|0,0,2]=4 127 B12R1.1 CCCCCc1ccc(cc1)Br TS24327 [0,1,0,1,0,0|1,0,1]=4 128 B12R1.1 CCCCCc1ccc(cc1)N TS11756 [0,1,0,1,0,0|1,0,1]=4 129 B12R1.1 CCCCCc1ccc(cc1)O TS42805 [0,1,0,1,0,0|1,0,1]=4 130 B12R1.1 CCCCCc1ccc(cc1)[Zn+] TS78445 [0,1,0,1,0,0|1,0,1]=4 131 B12R1.30 CCCCC(c1ccccc1)O TS42804 [0,1,0,1,0,0|1,0,1]=4 132 B12R1.35 CCCCCC(=O)c1ccco1 TS12265 [0,1,0,1,0,0|0,0,1]=3 133 B12R1.35 CCCCOC(=O)c1ccco1 TS12524 [0,1,0,1,0,0|1,0,1]=4 134 B12R1.252 CC(CCCc1ccccc1)F TS12271 [0,1,0,1,0,0|1,0,1]=4 135 B12R1.252 C[C@H](CCCc1cccnc1)N TS11933 [0,1,0,1,0,0|2,0,0]=4 136 B12R2.2 c1ccc(cc1)C2CCCC2 TS07262 [0,0,0,2,0,0|1,0,1]=4 137 B12R2.41 c1cc2c(nc1)CCCCC2 TS40566 [0,0,0,2,0,0|1,0,1]=4 138 B12R2.1081 c1cc2c(c(c1)O)CCCC2 TS07482 [0,0,0,2,0,0|0,0,2]=4 139 B12R2.1081 c1cc2c(nc1)CCCC2O TS07566 [0,0,0,2,0,0|1,0,1]=4 140 B12R2.1081 c1ccc2c(c1)CCCC2O TS40646 [0,0,0,2,0,0|0,0,2]=4 141 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2O TS40651 [0,0,0,2,0,0|0,0,2]=4 142 B12R2.1081 c1ccc2c(c1)CCC[C@H]2O TS40650 [0,0,0,2,0,0|0,0,2]=4