0 B11R0.3 C#CCCCCCCCCCO SBB009008 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.3 C=CCCCCCCCCCBr SBB059242 [0,0,0,0,0,0|1,0,0]=1 2 B11R0.3 C=CCCCCCCCCCC SBB059886 [0,0,0,0,0,0|1,0,0]=1 3 B11R0.3 C=CCCCCCCCCCO SBB009050 [0,0,0,0,0,0|0,0,0]=0 4 B11R0.3 CCCCCCCCCCC#N SBB060054 [0,0,0,0,0,0|2,0,1]=3 5 B11R0.3 CCCCCCCCCCC=O SBB059873 [0,0,0,0,0,0|2,0,0]=2 6 B11R0.3 CCCCCCCCCCCBr SBB059940 [0,0,0,0,0,0|1,0,2]=3 7 B11R0.3 CCCCCCCCCCCCl SBB059958 [0,0,0,0,0,0|1,0,2]=3 8 B11R0.3 CCCCCCCCCCCI SBB061359 [0,0,0,0,0,0|1,0,2]=3 9 B11R0.3 CCCCCCCCCCCO SBB059909 [0,0,0,0,0,0|0,0,2]=2 10 B11R0.3 CCCCCCCCCCNC SBB059819 [0,0,0,0,0,0|2,0,1]=3 11 B11R0.3 CCCCCCCCCOC=O SBB060304 [0,0,0,0,0,0|3,0,0]=3 12 B11R0.3 CCCCCCCCNCCC SBB059839 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.3 CCCCCCCCNCCO SBB056741 [0,0,0,0,0,0|1,0,2]=3 14 B11R0.3 CCCCCCCCOCCCl SBB060220 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.3 CCCCCCCCOCCN SBB071652 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.3 CCCCCCCCOCCO SBB059919 [0,0,0,0,0,0|1,0,2]=3 17 B11R0.3 CCCCCCCCSCCO SBB013612 [0,0,0,0,0,0|1,0,2]=3 18 B11R0.3 CCCCCCCCSCCS SBB061350 [0,0,0,0,0,0|1,1,2]=4 19 B11R0.3 CCCCCCCNCCCC SBB059767 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.3 CCCCCSCCOCCO SBB060445 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.3 ClCCCCCCCCCCCl SBB061063 [0,0,0,0,0,0|2,0,1]=3 22 B11R0.3 OCCCCCCCCCCBr SBB059278 [0,0,0,0,0,0|1,0,1]=2 23 B11R0.3 OCCCCCCCCCCO SBB008880 [0,0,0,0,0,0|1,0,1]=2 24 B11R0.3 OCCOCCCCOCCO SBB061586 [0,0,0,0,0,0|3,0,1]=4 25 B11R0.3 OCCSCCCCSCCO SBB056733 [0,0,0,0,0,0|3,0,1]=4 26 B11R0.3 SCCCCCCCCCCS SBB066557 [0,0,0,0,0,0|1,1,1]=3 27 B11R0.3 [NH2+](CCCC)CCCCCCC SBB061641 [0,0,0,0,0,0|2,0,2]=4 28 B10R0.71 C=CCCCCCCCCBr SBB059351 [1,0,0,0,0,0|1,0,0]=2 29 B10R0.71 C=CCCCCCCCCC SBB009051 [1,0,0,0,0,0|0,0,0]=1 30 B10R0.71 CCCCC#CCCCCO SBB008895 [1,0,0,0,0,0|0,0,3]=4 31 B10R0.71 CCCCCCC#CCCO SBB008896 [1,0,0,0,0,0|0,0,3]=4 32 B10R0.71 CCCCCCCC#CCO SBB008898 [1,0,0,0,0,0|0,0,3]=4 33 B10R0.71 CCCCCCCCCC=O SBB058676 [1,0,0,0,0,0|1,0,0]=2 34 B10R0.71 CCCCCCCCCCBr SBB008838 [1,0,0,0,0,0|1,0,1]=3 35 B10R0.71 CCCCCCCCCCCl SBB059957 [1,0,0,0,0,0|1,0,1]=3 36 B10R0.71 CCCCCCCCCCF SBB087464 [1,0,0,0,0,0|1,0,1]=3 37 B10R0.71 CCCCCCCCCCO SBB059908 [1,0,0,0,0,0|0,0,1]=2 38 B10R0.71 CCCCCCCCCNC SBB059836 [1,0,0,0,0,0|1,0,1]=3 39 B10R0.71 CCCCCCCCN=C=O SBB068604 [1,0,0,0,0,0|2,0,1]=4 40 B10R0.71 CCCCCCCCN=C=S SBB058874 [1,0,0,0,0,0|2,0,1]=4 41 B10R0.71 CCCCCCCCNC=O SBB061176 [1,0,0,0,0,0|2,0,0]=3 42 B10R0.71 CCCCCCCCOCC SBB061155 [1,0,0,0,0,0|1,0,2]=4 43 B10R0.71 CCCCCCCOCCCl SBB060219 [1,0,0,0,0,0|2,0,1]=4 44 B10R0.71 CCCCCCCOCCO SBB060174 [1,0,0,0,0,0|1,0,1]=3 45 B10R0.71 CCCCCCCSCCO SBB019264 [1,0,0,0,0,0|1,0,1]=3 46 B10R0.71 CCCCCCNCCCC SBB059766 [1,0,0,0,0,0|1,0,2]=4 47 B10R0.71 CCCCCSCCCCC SBB060112 [1,0,0,0,0,0|1,0,2]=4 48 B10R0.71 CCCCNCCOCCO SBB059813 [1,0,0,0,0,0|2,0,1]=4 49 B10R0.71 CCCCOCCOCCO SBB059921 [1,0,0,0,0,0|2,0,1]=4 50 B10R0.71 CCCCOCCSCCO SBB061080 [1,0,0,0,0,0|2,0,1]=4 51 B10R0.71 CCCCSCCOCCO SBB056691 [1,0,0,0,0,0|2,0,1]=4 52 B10R0.71 CCCC\C=C\CCCCO SBB008885 [1,0,0,0,0,0|0,0,3]=4 53 B10R0.71 ClCCCCOCCCCCl SBB070766 [1,0,0,0,0,0|3,0,0]=4 54 B10R0.71 NCCCCCCCCCN SBB058794 [1,0,0,0,0,0|2,0,0]=3 55 B10R0.71 OCCCCCCCCCO SBB008482 [1,0,0,0,0,0|1,0,0]=2 56 B10R0.71 OCCSCCCSCCO SBB056734 [1,0,0,0,0,0|3,0,0]=4 57 B10R0.71 SCCCCCCCCCS SBB066560 [1,0,0,0,0,0|1,1,0]=3 58 B10R0.71 [NH2+](CCCC)CCCCCC SBB061637 [1,0,0,0,0,0|1,0,2]=4 59 B12R0.1 CCCCCCCCC(O)CCC SBB059911 [0,1,0,0,0,0|1,0,2]=4 60 B12R0.5 C=CCCCCCCCCCCC SBB009033 [0,1,0,0,0,0|1,0,0]=2 61 B12R0.5 CCC#CCCCCCCCCO SBB008814 [0,1,0,0,0,0|0,0,3]=4 62 B12R0.5 CCCCCCCCCCCC=O SBB059874 [0,1,0,0,0,0|1,0,1]=3 63 B12R0.5 CCCCCCCCCCCCBr SBB059941 [0,1,0,0,0,0|1,0,2]=4 64 B12R0.5 CCCCCCCCCCCCCl SBB059959 [0,1,0,0,0,0|1,0,2]=4 65 B12R0.5 CCCCCCCCCCCCF SBB090835 [0,1,0,0,0,0|1,0,2]=4 66 B12R0.5 CCCCCCCCCCCCN SBB007640 [0,1,0,0,0,0|1,0,2]=4 67 B12R0.5 CCCCCCCCCCCCN SBB059988 [0,1,0,0,0,0|1,0,2]=4 68 B12R0.5 CCCCCCCCCCCCO SBB008734 [0,1,0,0,0,0|0,0,2]=3 69 B12R0.5 CCCCCCCCCCCCS SBB060132 [0,1,0,0,0,0|0,1,2]=4 70 B12R0.5 CCCCCCCCCCCNC SBB059830 [0,1,0,0,0,0|1,0,2]=4 71 B12R0.5 CCCCCCCCCCNC=O SBB061177 [0,1,0,0,0,0|2,0,0]=3 72 B12R0.5 CCCCCCCCCSCCO SBB019265 [0,1,0,0,0,0|0,0,2]=3 73 B12R0.5 CCCCCCCCNCCCC SBB059768 [0,1,0,0,0,0|1,0,2]=4 74 B12R0.5 CCCCCCCCNCCOC SBB059794 [0,1,0,0,0,0|1,0,2]=4 75 B12R0.5 CCCCCCNCCCCCC SBB059818 [0,1,0,0,0,0|1,0,2]=4 76 B12R0.5 CCCCCCOCCCCCC SBB061195 [0,1,0,0,0,0|1,0,2]=4 77 B12R0.5 CCCCCCOCCOCCO SBB060179 [0,1,0,0,0,0|1,0,2]=4 78 B12R0.5 CCCCCCSCCCCCC SBB061018 [0,1,0,0,0,0|1,0,2]=4 79 B12R0.5 NCCCCCCCCCCCC SBB003344 [0,1,0,0,0,0|1,0,2]=4 80 B12R0.5 OCCCCCCCCCCCBr SBB061556 [0,1,0,0,0,0|0,0,2]=3 81 B12R0.5 [NH2+](CCCC)CCCCCCCC SBB061639 [0,1,0,0,0,0|1,0,2]=4 82 B12R0.47 CCCCCCC(O)CCCCC SBB059913 [0,1,0,0,0,0|1,0,2]=4 83 B12R0.206 CCCCCCCC(O)CCCC SBB059912 [0,1,0,0,0,0|1,0,2]=4 84 B12R0.234 C#CCCCCCCCCC(=O)O SBB008483 [0,1,0,0,0,0|0,0,3]=4 85 B12R0.234 C=CCCCCCCCCC(=O)Cl SBB009003 [0,1,0,0,0,0|0,0,2]=3 86 B12R0.234 C=CCCCCCCCCC(=O)O SBB009049 [0,1,0,0,0,0|0,0,1]=2 87 B12R0.234 CCCCCCCCCCC(=O)Cl SBB060536 [0,1,0,0,0,0|2,0,0]=3 88 B12R0.234 CCCCCCCCCCC(=O)O SBB058709 [0,1,0,0,0,0|2,0,0]=3 89 B12R0.234 CCCCCCCCCCC(C)O SBB060451 [0,1,0,0,0,0|0,0,2]=3 90 B12R0.234 CCCCCCCCCCN(C)C SBB060244 [0,1,0,0,0,0|2,0,1]=4 91 B12R0.234 CCCCCCCCCOC(C)=O SBB060586 [0,1,0,0,0,0|2,0,1]=4 92 B12R0.234 CCCCCCCCOCC(C)O SBB061010 [0,1,0,0,0,0|1,0,2]=4 93 B12R0.248 CCCCCCCCCC(C)C=O SBB060149 [0,1,0,0,0,0|2,0,0]=3 94 B12R0.248 CCCCCCCCCC(O)CC SBB059910 [0,1,0,0,0,0|1,0,2]=4 95 B12R1.8 OCCCCNC1CCCCC1 SBB000173 [0,0,0,1,0,0|1,0,2]=4 96 B12R1.550 C1=CCCCCCCCCCC1 SBB059893 [0,0,0,1,0,0|1,0,0]=2 97 B12R1.550 C1CCCCCCCCCCC1 SBB060910 [0,0,0,1,0,0|1,0,2]=4 98 B9R0.45 BrCCCCCCCCBr SBB060805 [2,0,0,0,0,0|2,0,0]=4 99 B9R0.45 C#CCCCCCCCC SBB008883 [2,0,0,0,0,0|0,0,2]=4 100 B9R0.45 C=CCCCCCCCC SBB058674 [2,0,0,0,0,0|0,0,0]=2 101 B9R0.45 CCCCCC#CCCO SBB009142 [2,0,0,0,0,0|0,0,2]=4 102 B9R0.45 CCCCCCC#CCO SBB009144 [2,0,0,0,0,0|0,0,2]=4 103 B9R0.45 CCCCCCCCC=O SBB059872 [2,0,0,0,0,0|1,0,0]=3 104 B9R0.45 CCCCCCCCCBr SBB059939 [2,0,0,0,0,0|1,0,0]=3 105 B9R0.45 CCCCCCCCCCl SBB059956 [2,0,0,0,0,0|1,0,0]=3 106 B9R0.45 CCCCCCCCCN SBB059987 [2,0,0,0,0,0|1,0,0]=3 107 B9R0.45 CCCCCCCCCO SBB059907 [2,0,0,0,0,0|0,0,0]=2 108 B9R0.45 CCCCCCCCOC SBB061156 [2,0,0,0,0,0|1,0,1]=4 109 B9R0.45 CCCCCCCOC=O SBB060303 [2,0,0,0,0,0|2,0,0]=4 110 B9R0.45 CCCCCCNCCN SBB058822 [2,0,0,0,0,0|2,0,0]=4 111 B9R0.45 CCCCCCNCCO SBB007879 [2,0,0,0,0,0|1,0,0]=3 112 B9R0.45 CCCCCCOCCCl SBB060218 [2,0,0,0,0,0|2,0,0]=4 113 B9R0.45 CCCCCCOCCO SBB060173 [2,0,0,0,0,0|1,0,0]=3 114 B9R0.45 CCCCCCSCCO SBB060444 [2,0,0,0,0,0|1,0,0]=3 115 B9R0.45 CCCCCNCCCC SBB059765 [2,0,0,0,0,0|1,0,1]=4 116 B9R0.45 CCCNCCOCCO SBB059816 [2,0,0,0,0,0|2,0,0]=4 117 B9R0.45 ClCCCCCCCCCl SBB008751 [2,0,0,0,0,0|2,0,0]=4 118 B9R0.45 NCCCCCCCCN SBB058725 [2,0,0,0,0,0|2,0,0]=4 119 B9R0.45 OCCCCCCCCO SBB060739 [2,0,0,0,0,0|1,0,0]=3 120 B9R0.45 [NH2+](CCCC)CCCCC SBB061636 [2,0,0,0,0,0|1,0,1]=4 121 B11R0.40 C=CS(=O)CCCCCCCC SBB013614 [1,1,0,0,0,0|1,0,0]=3 122 B11R0.40 CCCCCCCCC(Br)CBr SBB060685 [1,1,0,0,0,0|1,0,1]=4 123 B11R0.40 CCCCCCCCC(Cl)CCl SBB060507 [1,1,0,0,0,0|1,0,1]=4 124 B11R0.40 CCCCCCOCC(O)CO SBB060186 [1,1,0,0,0,0|1,0,1]=4 125 B11R0.81 CCCCCCC(C)OCCO SBB061589 [1,1,0,0,0,0|1,0,1]=4 126 B11R0.148 CCCCCCCCCC(=O)Cl SBB060015 [1,1,0,0,0,0|1,0,0]=3 127 B11R0.148 CCCCCCCCCC(=O)O SBB060022 [1,1,0,0,0,0|1,0,0]=3 128 B11R0.148 CCCCCCCCCC(C)=O SBB060389 [1,1,0,0,0,0|0,0,1]=3 129 B11R0.148 CCCCCCCCCC(N)=O SBB061052 [1,1,0,0,0,0|1,0,0]=3 130 B11R0.148 CCCCCCCCOC(C)=O SBB060585 [1,1,0,0,0,0|1,0,1]=4 131 B11R0.148 CCCCSCCCCC(=O)O SBB019267 [1,1,0,0,0,0|2,0,0]=4 132 B13R0.54 CCCCCCCCCCCC(=O)Cl SBB060016 [0,2,0,0,0,0|1,0,1]=4 133 B13R0.54 CCCCCCCCCCCC(=O)O SBB060023 [0,2,0,0,0,0|0,0,2]=4 134 B13R0.54 CCCCCCCCCCCC(N)=O SBB061051 [0,2,0,0,0,0|1,0,1]=4 135 B13R0.54 CCCCCCCCCCNC(N)=S SBB017790 [0,2,0,0,0,0|2,0,0]=4 136 B13R0.54 CCCCCCCCCCOC(C)=O SBB058677 [0,2,0,0,0,0|1,0,1]=4 137 B13R0.54 CCCCCCCCSCCC(=O)O SBB000583 [0,2,0,0,0,0|2,0,0]=4 138 B13R0.54 CCCCSCCCCCCC(=O)O SBB001713 [0,2,0,0,0,0|2,0,0]=4 139 B13R0.54 NCCCCCCCCCCC(=O)O SBB058716 [0,2,0,0,0,0|1,0,1]=4 140 B13R0.54 O=C(O)CCCCCCCCCCBr SBB061375 [0,2,0,0,0,0|1,0,1]=4 141 B13R0.147 CCCCCCCCCCC(=O)OC SBB060594 [0,2,0,0,0,0|1,0,1]=4 142 B13R0.147 CCCCCCCCOCC(O)CO SBB060187 [0,2,0,0,0,0|0,0,2]=4 143 B13R0.147 COC(=O)CCCCCCCCC=O SBB061580 [0,2,0,0,0,0|1,0,1]=4 144 B13R0.336 C=CCCCCCCCCCCCC SBB008940 [0,2,0,0,0,0|1,0,0]=3 145 B13R0.336 C=CCSCCCCCCCCCC SBB061595 [0,2,0,0,0,0|1,0,0]=3 146 B13R0.336 CCCCCCCCCCCCCO SBB080806 [0,2,0,0,0,0|0,0,2]=4 147 B13R0.336 CCCCCCCCCCNCCO SBB059780 [0,2,0,0,0,0|0,0,2]=4 148 B13R0.336 CCCCCCCCCCOCCO SBB060175 [0,2,0,0,0,0|0,0,2]=4 149 B13R0.336 CCCCCCCCCCSCCO SBB019381 [0,2,0,0,0,0|0,0,2]=4 150 B13R0.336 CCCCCCCSCCOCCO SBB060446 [0,2,0,0,0,0|0,0,2]=4 151 B13R0.336 OCCCCCCCCCCCCO SBB060740 [0,2,0,0,0,0|0,0,2]=4 152 B13R0.179 O=C(O)CCCCCCCCC(=O)O SBB060280 [0,2,0,0,0,0|1,0,1]=4 153 B11R1.4 CCCCCCC1OCCO1 SBB060884 [1,0,0,1,0,0|1,0,1]=4 154 B11R1.18 NCCCN1CCCC1CO SBB010404 [1,0,0,1,0,0|2,0,0]=4 155 B11R1.99 CCCCCCCCC1CO1 SBB017139 [1,0,0,1,0,0|0,0,1]=3 156 B11R1.99 CCCCCCOCC1CO1 SBB060098 [1,0,0,1,0,0|1,0,1]=4 157 B13R1.279 O=C1CCCCCCCCCCC1 SBB060076 [0,1,0,1,0,0|1,0,1]=4 158 B13R1.279 O=C1CCCCCCCCCCO1 SBB061611 [0,1,0,1,0,0|0,0,1]=3 159 B13R1.279 OC1CCCCCCCCCCC1 SBB060734 [0,1,0,1,0,0|0,0,2]=4 160 B13R1.659 CCCCCCCCOCC1CO1 SBB060099 [0,1,0,1,0,0|0,0,2]=4 161 B13R2.2520 OCCNCC1CC2C=CC1C2 SBB010487 [0,0,0,2,0,0|1,0,0]=3