0 B10R0.4 CCCCCCCCB(O)O SBB071319 [0,0,0,0,0,0|1,0,1]=2 1 B10R0.4 CCCCCCCCC(=O)Cl SBB060014 [0,0,0,0,0,0|1,0,0]=1 2 B10R0.4 CCCCCCCCC(=O)O SBB058693 [0,0,0,0,0,0|0,0,0]=0 3 B10R0.4 CCCCCCCCC(N)=O SBB061053 [0,0,0,0,0,0|1,0,0]=1 4 B10R0.4 CCCCCCCCN(C)C SBB059991 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.4 CCCCCCCNC(N)=S SBB017692 [0,0,0,0,0,0|2,1,0]=3 6 B10R0.4 CCCCCCCOC(C)=O SBB060307 [0,0,0,0,0,0|2,0,0]=2 7 B10R0.4 CCCCCCNCC(C)O SBB059797 [0,0,0,0,0,0|2,0,1]=3 8 B10R0.4 CCCCOCCOC(C)=O SBB061001 [0,0,0,0,0,0|3,0,0]=3 9 B10R0.4 CCCCSCCSC(=N)N SBB013617 [0,0,0,0,0,0|4,0,0]=4 10 B10R0.4 OC(=O)CCCCCCCN SBB006735 [0,0,0,0,0,0|1,0,0]=1 11 B10R0.4 [NH2+]=C(N)SCCCCCCC SBB056871 [0,0,0,0,0,0|3,0,0]=3 12 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [1,0,0,0,0,0|1,0,0]=2 13 B9R0.2 CCCCCCCC(=O)O SBB060020 [1,0,0,0,0,0|0,0,0]=1 14 B9R0.2 CCCCCCCC(C)=O SBB061540 [1,0,0,0,0,0|1,0,0]=2 15 B9R0.2 CCCCCCCC(C)O SBB008521 [1,0,0,0,0,0|1,0,1]=3 16 B9R0.2 CCCCCCCC(N)=O SBB061055 [1,0,0,0,0,0|1,0,0]=2 17 B9R0.2 CCCCCCCN(C)C SBB061364 [1,0,0,0,0,0|3,0,0]=4 18 B9R0.2 CCCCCCNC(N)=S SBB028342 [1,0,0,0,0,0|2,1,0]=4 19 B9R0.2 CCCCCCOC(C)=O SBB060306 [1,0,0,0,0,0|2,0,0]=3 20 B9R0.2 CCCCSCCC(=O)O SBB001705 [1,0,0,0,0,0|1,0,0]=2 21 B9R0.2 COCCNCCC(N)=O SBB116772 [1,0,0,0,0,0|3,0,0]=4 22 B9R0.2 NCCCCCCC(=O)O SBB072673 [1,0,0,0,0,0|1,0,0]=2 23 B9R0.2 O=C(O)CCCCCCO SBB059715 [1,0,0,0,0,0|1,0,0]=2 24 B9R0.2 [NH2+]=C(N)SCCCCCC SBB060417 [1,0,0,0,0,0|3,0,0]=4 25 B9R0.45 BrCCCCCCCCBr SBB060805 [1,0,0,0,0,0|2,0,1]=4 26 B9R0.45 C#CCCCCCCCC SBB008883 [1,0,0,0,0,0|1,0,1]=3 27 B9R0.45 C(=O)\C=C\CCCCCC SBB006609 [1,0,0,0,0,0|0,0,2]=3 28 B9R0.45 C=CCCCCCCCC SBB058674 [1,0,0,0,0,0|1,0,0]=2 29 B9R0.45 CCCCCC#CCCO SBB009142 [1,0,0,0,0,0|0,0,3]=4 30 B9R0.45 CCCCCCC#CCO SBB009144 [1,0,0,0,0,0|0,0,3]=4 31 B9R0.45 CCCCCCCCC=O SBB059872 [1,0,0,0,0,0|0,0,0]=1 32 B9R0.45 CCCCCCCCCBr SBB059939 [1,0,0,0,0,0|1,0,1]=3 33 B9R0.45 CCCCCCCCCCl SBB059956 [1,0,0,0,0,0|1,0,1]=3 34 B9R0.45 CCCCCCCCCN SBB059987 [1,0,0,0,0,0|1,0,1]=3 35 B9R0.45 CCCCCCCCCO SBB059907 [1,0,0,0,0,0|0,0,1]=2 36 B9R0.45 CCCCCCCCOC SBB061156 [1,0,0,0,0,0|2,0,0]=3 37 B9R0.45 CCCCCCCOC=O SBB060303 [1,0,0,0,0,0|1,0,0]=2 38 B9R0.45 CCCCCCNCCN SBB058822 [1,0,0,0,0,0|2,0,1]=4 39 B9R0.45 CCCCCCNCCO SBB007879 [1,0,0,0,0,0|1,0,1]=3 40 B9R0.45 CCCCCCOCCCl SBB060218 [1,0,0,0,0,0|2,0,1]=4 41 B9R0.45 CCCCCCOCCO SBB060173 [1,0,0,0,0,0|1,0,1]=3 42 B9R0.45 CCCCCCSCCO SBB060444 [1,0,0,0,0,0|1,0,1]=3 43 B9R0.45 CCCCCNCCCC SBB059765 [1,0,0,0,0,0|2,0,1]=4 44 B9R0.45 CCCCCOCCC#N SBB061167 [1,0,0,0,0,0|2,0,1]=4 45 B9R0.45 CCCNCCOCCO SBB059816 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.45 ClCCCCCCCCCl SBB008751 [1,0,0,0,0,0|2,0,1]=4 47 B9R0.45 NCCCCCCCCN SBB058725 [1,0,0,0,0,0|2,0,1]=4 48 B9R0.45 OCCCCCCCCO SBB060739 [1,0,0,0,0,0|1,0,1]=3 49 B9R0.45 [NH2+](CCCC)CCCCC SBB061636 [1,0,0,0,0,0|2,0,1]=4 50 B11R0.30 CC(=O)NCCCCCC(=O)O SBB065849 [0,1,0,0,0,0|1,0,1]=3 51 B11R0.30 CC(C)CCCCCCC(=O)O SBB088692 [0,1,0,0,0,0|0,0,0]=1 52 B11R0.30 O=C(O)CCCCCCC(=O)O SBB060278 [0,1,0,0,0,0|1,0,1]=3 53 B11R0.40 C=CS(=O)CCCCCCCC SBB013614 [0,1,0,0,0,0|2,0,0]=3 54 B11R0.40 CCCCCCC#CC(=O)OC SBB088197 [0,1,0,0,0,0|0,0,2]=3 55 B11R0.40 CCCCCCCCC(=O)NN SBB030320 [0,1,0,0,0,0|1,0,0]=2 56 B11R0.40 CCCCCCCCC(=O)OC SBB060593 [0,1,0,0,0,0|0,0,0]=1 57 B11R0.40 CCCCCCCCC(Br)CBr SBB060685 [0,1,0,0,0,0|2,0,1]=4 58 B11R0.40 CCCCCCCCC(Cl)CCl SBB060507 [0,1,0,0,0,0|2,0,1]=4 59 B11R0.40 CCCCCCCOC(=O)CC SBB060313 [0,1,0,0,0,0|2,0,0]=3 60 B11R0.40 CCCCCCCOC(=O)CCl SBB061233 [0,1,0,0,0,0|2,0,0]=3 61 B11R0.40 CCCCCCCOC(=O)CS SBB057443 [0,1,0,0,0,0|1,1,0]=3 62 B11R0.40 CCCCCCOCC(O)CCl SBB059973 [0,1,0,0,0,0|2,0,1]=4 63 B11R0.40 CCCCCCOCC(O)CO SBB060186 [0,1,0,0,0,0|1,0,2]=4 64 B11R0.148 CCCCCCCCCC(=O)Cl SBB060015 [0,1,0,0,0,0|1,0,0]=2 65 B11R0.148 CCCCCCCCCC(=O)O SBB060022 [0,1,0,0,0,0|0,0,0]=1 66 B11R0.148 CCCCCCCCCC(C)=O SBB060389 [0,1,0,0,0,0|1,0,0]=2 67 B11R0.148 CCCCCCCCCC(N)=O SBB061052 [0,1,0,0,0,0|1,0,0]=2 68 B11R0.148 CCCCCCCCOC(C)=O SBB060585 [0,1,0,0,0,0|1,0,0]=2 69 B11R0.148 CCCCSCCCCC(=O)O SBB019267 [0,1,0,0,0,0|0,0,0]=1 70 B11R0.148 CCOCCOCCOC(C)=O SBB061099 [0,1,0,0,0,0|3,0,0]=4 71 B11R0.159 CCCCCCCC[N+](C)(C)C SBB060103 [0,1,0,0,0,0|3,0,0]=4 72 B11R0.176 CCCC(=O)OCCCC(C)=O SBB017104 [0,1,0,0,0,0|2,0,1]=4 73 B11R0.176 CCOC(=O)CCCCC(=O)O SBB065980 [0,1,0,0,0,0|1,0,1]=3 74 B11R1.86 CC(=O)CN1CCCCC1C SBB046421 [0,0,0,1,0,0|2,0,0]=3 75 B11R1.86 CC(=O)NC1CCCC[C@H]1Cl SBB056532 [0,0,0,1,0,0|3,0,0]=4 76 B11R1.86 CC1CCCCN1CC(=O)O SBB046596 [0,0,0,1,0,0|1,0,0]=2 77 B11R1.86 CN1CCCCC1CC(=O)O SBB010391 [0,0,0,1,0,0|1,0,0]=2 78 B11R1.90 O=C(O)CCC1CCOC1=O SBB051506 [0,0,0,1,0,0|2,0,1]=4 79 B11R1.90 O=C(O)CCN1CCCC1=O SBB046364 [0,0,0,1,0,0|2,0,1]=4 80 B11R1.91 CC(=O)NCC1CCNCC1 SBB047898 [0,0,0,1,0,0|3,0,0]=4 81 B11R1.91 NC(=O)CCN1CCNCC1 SBB014724 [0,0,0,1,0,0|3,0,0]=4 82 B11R1.91 NC(=S)CCN1CCCCC1 SBB024089 [0,0,0,1,0,0|2,1,0]=4 83 B11R1.91 O=C(Cl)CCC1CCCCC1 SBB005478 [0,0,0,1,0,0|1,0,0]=2 84 B11R1.91 O=C(O)CCC1CCCCN1 SBB018825 [0,0,0,1,0,0|1,0,0]=2 85 B11R1.91 O=C(O)CCC1CCCNC1 SBB014718 [0,0,0,1,0,0|1,0,0]=2 86 B11R1.91 O=C(O)CCN1CCNCC1 SBB010190 [0,0,0,1,0,0|2,0,0]=3 87 B11R1.91 O=C(O)CCN1CCOCC1 SBB010411 [0,0,0,1,0,0|2,0,0]=3 88 B11R1.91 O=C(O)CCN1CCOCC1 SBB091930 [0,0,0,1,0,0|2,0,0]=3 89 B11R1.99 CCCCCCCCC1CO1 SBB017139 [0,0,0,1,0,0|1,0,1]=3 90 B11R1.99 CCCCCCOCC1CO1 SBB060098 [0,0,0,1,0,0|2,0,1]=4 91 B11R1.172 O=C(O)CCCN1CCCC1 SBB077224 [0,0,0,1,0,0|1,0,0]=2 92 B11R1.172 O=C(O)COCC1CCCO1 SBB010420 [0,0,0,1,0,0|2,0,0]=3 93 B11R1.193 C=CCN1CCCC1C(=O)O SBB046628 [0,0,0,1,0,0|1,0,2]=4 94 B11R1.742 CC(O)CN1CCCCCC1 SBB056515 [0,0,0,1,0,0|2,0,1]=4 95 B11R1.742 O=C(O)CN1CCCCCC1 SBB010389 [0,0,0,1,0,0|1,0,0]=2 96 B8R0.4 C#CCCCCCCO SBB062745 [2,0,0,0,0,0|0,0,2]=4 97 B8R0.4 C=CCCCCCCC SBB060474 [2,0,0,0,0,0|0,0,1]=3 98 B8R0.4 CCCCC#CCCO SBB009106 [2,0,0,0,0,0|0,0,2]=4 99 B8R0.4 CCCCCC#CCO SBB009105 [2,0,0,0,0,0|0,0,2]=4 100 B8R0.4 CCCCCCCC#N SBB060053 [2,0,0,0,0,0|1,0,1]=4 101 B8R0.4 CCCCCCCC=O SBB059871 [2,0,0,0,0,0|0,0,0]=2 102 B8R0.4 CCCCCCCCBr SBB059937 [2,0,0,0,0,0|1,0,0]=3 103 B8R0.4 CCCCCCCCCl SBB059955 [2,0,0,0,0,0|1,0,0]=3 104 B8R0.4 CCCCCCCCN SBB059986 [2,0,0,0,0,0|1,0,0]=3 105 B8R0.4 CCCCCCCCO SBB059902 [2,0,0,0,0,0|0,0,0]=2 106 B8R0.4 CCCCCCCNC SBB059820 [2,0,0,0,0,0|1,0,1]=4 107 B8R0.4 CCCCCCN=C=O SBB058614 [2,0,0,0,0,0|1,0,1]=4 108 B8R0.4 CCCCCCNC=O SBB061175 [2,0,0,0,0,0|1,0,0]=3 109 B8R0.4 CCCCCCOC=O SBB060302 [2,0,0,0,0,0|1,0,0]=3 110 B8R0.4 CCCCCCSCC SBB061179 [2,0,0,0,0,0|1,0,1]=4 111 B8R0.4 CCCCCNCCO SBB059826 [2,0,0,0,0,0|1,0,0]=3 112 B8R0.4 CCCCC\C=C\C=O SBB068337 [2,0,0,0,0,0|0,0,2]=4 113 B8R0.4 CCCCNCCCC SBB059755 [2,0,0,0,0,0|1,0,1]=4 114 B8R0.4 CCCCOCCCC SBB060059 [2,0,0,0,0,0|1,0,1]=4 115 B8R0.4 CCCCOCCCN SBB061718 [2,0,0,0,0,0|2,0,0]=4 116 B8R0.4 CCCCSCCCC SBB060667 [2,0,0,0,0,0|1,0,1]=4 117 B8R0.4 CCOCCOCCO SBB060178 [2,0,0,0,0,0|2,0,0]=4 118 B8R0.4 CCSCCOCCO SBB061065 [2,0,0,0,0,0|2,0,0]=4 119 B8R0.4 NCCCCCCCN SBB058724 [2,0,0,0,0,0|2,0,0]=4 120 B8R0.4 OCCCCCCCBr SBB061558 [2,0,0,0,0,0|1,0,0]=3 121 B8R0.7 C#CCCCCC(=O)O SBB008797 [2,0,0,0,0,0|0,0,2]=4 122 B8R0.7 CCCCCCC(=O)Cl SBB060012 [2,0,0,0,0,0|1,0,0]=3 123 B8R0.7 CCCCCCC(=O)O SBB053587 [2,0,0,0,0,0|0,0,0]=2 124 B8R0.7 CCCCCCC(C)=O SBB060387 [2,0,0,0,0,0|1,0,0]=3 125 B8R0.7 CCCCCCC(C)O SBB059903 [2,0,0,0,0,0|1,0,1]=4 126 B8R0.7 CCCCCOC(C)=O SBB060027 [2,0,0,0,0,0|2,0,0]=4 127 B8R0.7 CCCCSCC(=O)O SBB061205 [2,0,0,0,0,0|1,0,0]=3 128 B8R0.7 CCCNCCC(N)=O SBB116773 [2,0,0,0,0,0|2,0,0]=4 129 B8R0.7 COCCOCC(=O)O SBB008497 [2,0,0,0,0,0|2,0,0]=4 130 B8R0.7 NCCCCCC(=O)O SBB015068 [2,0,0,0,0,0|1,0,0]=3 131 B8R0.7 O=C(O)CCCCCBr SBB065783 [2,0,0,0,0,0|1,0,0]=3 132 B8R0.7 O=C(O)CCNCCO SBB079386 [2,0,0,0,0,0|2,0,0]=4 133 B10R0.3 CCCC(S)CCOC(C)=O SBB056433 [1,1,0,0,0,0|2,0,0]=4 134 B10R0.22 CCCCCCCP(=O)(O)O SBB057478 [1,1,0,0,0,0|1,0,0]=3 135 B10R0.55 COC(=O)CCCCC(=O)O SBB065981 [1,1,0,0,0,0|1,0,1]=4 136 B10R0.74 CCCCCC#CC(=O)OC SBB009081 [1,1,0,0,0,0|0,0,2]=4 137 B10R0.74 CCCCCCCC(=O)NN SBB056838 [1,1,0,0,0,0|1,0,0]=3 138 B10R0.74 CCCCCCCC(=O)OC SBB060592 [1,1,0,0,0,0|0,0,0]=2 139 B10R0.74 CCCCCCCC(C)C=O SBB061221 [1,1,0,0,0,0|1,0,1]=4 140 B10R0.74 CCCCCCNC(=O)CCl SBB017392 [1,1,0,0,0,0|2,0,0]=4 141 B10R0.74 CCCCCCOC(=O)CCl SBB061569 [1,1,0,0,0,0|2,0,0]=4 142 B10R0.74 CCCCCCOC(=O)CS SBB061229 [1,1,0,0,0,0|1,1,0]=4 143 B10R0.75 CCCCCCC(N)C(=O)O SBB058628 [1,1,0,0,0,0|0,0,0]=2 144 B10R0.78 CCCCC(C)CCC(=O)O SBB065822 [1,1,0,0,0,0|0,0,0]=2 145 B10R0.97 O=C(O)CCCCCC(=O)O SBB007898 [1,1,0,0,0,0|1,0,1]=4 146 B10R0.71 C=CCCCCCCCCBr SBB059351 [1,1,0,0,0,0|1,0,0]=3 147 B10R0.71 C=CCCCCCCCCC SBB009051 [1,1,0,0,0,0|1,0,0]=3 148 B10R0.71 CCCCC#CCCCCO SBB008895 [1,1,0,0,0,0|0,0,2]=4 149 B10R0.71 CCCCCCC#CCCO SBB008896 [1,1,0,0,0,0|0,0,2]=4 150 B10R0.71 CCCCCCCC#CCO SBB008898 [1,1,0,0,0,0|0,0,2]=4 151 B10R0.71 CCCCCCCCCC=O SBB058676 [1,1,0,0,0,0|0,0,0]=2 152 B10R0.71 CCCCCCCCCCBr SBB008838 [1,1,0,0,0,0|1,0,1]=4 153 B10R0.71 CCCCCCCCCCCl SBB059957 [1,1,0,0,0,0|1,0,1]=4 154 B10R0.71 CCCCCCCCCCF SBB087464 [1,1,0,0,0,0|1,0,1]=4 155 B10R0.71 CCCCCCCCCCO SBB059908 [1,1,0,0,0,0|0,0,1]=3 156 B10R0.71 CCCCCCCCCNC SBB059836 [1,1,0,0,0,0|1,0,1]=4 157 B10R0.71 CCCCCCCCN=C=O SBB068604 [1,1,0,0,0,0|0,0,1]=3 158 B10R0.71 CCCCCCCCN=C=S SBB058874 [1,1,0,0,0,0|0,1,1]=4 159 B10R0.71 CCCCCCCCNC=O SBB061176 [1,1,0,0,0,0|0,0,0]=2 160 B10R0.71 CCCCCCCCOCC SBB061155 [1,1,0,0,0,0|1,0,1]=4 161 B10R0.71 CCCCCCCOCCCl SBB060219 [1,1,0,0,0,0|1,0,1]=4 162 B10R0.71 CCCCCCCOCCO SBB060174 [1,1,0,0,0,0|0,0,1]=3 163 B10R0.71 CCCCCCCSCCO SBB019264 [1,1,0,0,0,0|0,0,1]=3 164 B10R0.71 CCCCCCNCCCC SBB059766 [1,1,0,0,0,0|1,0,1]=4 165 B10R0.71 CCCCCSCCCCC SBB060112 [1,1,0,0,0,0|1,0,1]=4 166 B10R0.71 CCCCNCCOCCO SBB059813 [1,1,0,0,0,0|1,0,1]=4 167 B10R0.71 CCCCOCCOCCO SBB059921 [1,1,0,0,0,0|1,0,1]=4 168 B10R0.71 CCCCOCCSCCO SBB061080 [1,1,0,0,0,0|1,0,1]=4 169 B10R0.71 CCCCSCCOCCO SBB056691 [1,1,0,0,0,0|1,0,1]=4 170 B10R0.71 CCCC\C=C\CCCCO SBB008885 [1,1,0,0,0,0|0,0,2]=4 171 B10R0.71 NCCCCCCCCCN SBB058794 [1,1,0,0,0,0|1,0,1]=4 172 B10R0.71 OCCCCCCCCCO SBB008482 [1,1,0,0,0,0|0,0,1]=3 173 B10R0.71 SCCCCCCCCCS SBB066560 [1,1,0,0,0,0|0,1,1]=4 174 B10R0.71 [NH2+](CCCC)CCCCCC SBB061637 [1,1,0,0,0,0|1,0,1]=4 175 B12R0.46 CCCCCCC(O)C(N)C(=O)O SBB072843 [0,2,0,0,0,0|0,0,0]=2 176 B12R0.184 COC(=O)CCNCCCN(C)C SBB300015 [0,2,0,0,0,0|2,0,0]=4 177 B12R0.1 CCCCCCCCC(=O)OCC SBB061355 [0,2,0,0,0,0|0,0,0]=2 178 B12R0.1 CCCCCCCCC(O)CCC SBB059911 [0,2,0,0,0,0|1,0,1]=4 179 B12R0.248 CCCCCCCCCC(=O)NN SBB030321 [0,2,0,0,0,0|1,0,0]=3 180 B12R0.248 CCCCCCCCCC(=O)OC SBB060318 [0,2,0,0,0,0|0,0,0]=2 181 B12R0.248 CCCCCCCCCC(C)C=O SBB060149 [0,2,0,0,0,0|1,0,1]=4 182 B12R0.248 CCCCCCCCCC(O)CC SBB059910 [0,2,0,0,0,0|1,0,1]=4 183 B12R0.248 CCCCCCCCNC(=O)CCl SBB056847 [0,2,0,0,0,0|1,0,0]=3 184 B12R0.248 CCCCCCCCNC(=S)NN SBB017762 [0,2,0,0,0,0|1,1,0]=4 185 B12R0.248 CCCCCCCCOC(=O)CC SBB060314 [0,2,0,0,0,0|1,0,0]=3 186 B12R0.248 CCCCCCCCOC(=O)CCl SBB060033 [0,2,0,0,0,0|1,0,0]=3 187 B12R0.312 C=CS(=O)(=O)CCCCCCCC SBB019382 [0,2,0,0,0,0|1,0,1]=4 188 B12R0.234 C#CCCCCCCCCC(=O)O SBB008483 [0,2,0,0,0,0|0,0,0]=2 189 B12R0.234 C=CCCCCCCCCC(=O)Cl SBB009003 [0,2,0,0,0,0|1,0,0]=3 190 B12R0.234 C=CCCCCCCCCC(=O)O SBB009049 [0,2,0,0,0,0|0,0,0]=2 191 B12R0.234 CCCCCCCCCCC(=O)Cl SBB060536 [0,2,0,0,0,0|1,0,0]=3 192 B12R0.234 CCCCCCCCCCC(=O)O SBB058709 [0,2,0,0,0,0|0,0,0]=2 193 B12R0.234 CCCCCCCCCCC(C)O SBB060451 [0,2,0,0,0,0|1,0,1]=4 194 B12R0.234 CCCCCCCCCOC(C)=O SBB060586 [0,2,0,0,0,0|1,0,0]=3 195 B12R0.234 CCCCCCCCOCC(C)O SBB061010 [0,2,0,0,0,0|1,0,1]=4 196 B12R0.268 O=C(O)CCCCCCCC(=O)O SBB060279 [0,2,0,0,0,0|0,0,1]=3 197 B10R1.18 CC(=O)CN1CCCCC1 SBB046418 [1,0,0,1,0,0|2,0,0]=4 198 B10R1.18 CC(=O)NC1CCCCC1 SBB058211 [1,0,0,1,0,0|2,0,0]=4 199 B10R1.18 CC(=O)OC1CCCCC1 SBB060309 [1,0,0,1,0,0|2,0,0]=4 200 B10R1.18 NC(=O)NC1CCCCC1 SBB028268 [1,0,0,1,0,0|2,0,0]=4 201 B10R1.18 O=C(Cl)CC1CCOCC1 SBB053661 [1,0,0,1,0,0|2,0,0]=4 202 B10R1.18 O=C(O)CC1=CCCCC1 SBB008386 [1,0,0,1,0,0|0,0,2]=4 203 B10R1.18 O=C(O)CC1CCCCC1 SBB058720 [1,0,0,1,0,0|0,0,0]=2 204 B10R1.18 O=C(O)CC1CCCCN1 SBB010294 [1,0,0,1,0,0|1,0,0]=3 205 B10R1.18 O=C(O)CC1CCCCO1 SBB002787 [1,0,0,1,0,0|1,0,0]=3 206 B10R1.18 O=C(O)CC1CCCOC1 SBB027192 [1,0,0,1,0,0|1,0,0]=3 207 B10R1.18 O=C(O)CC1CNCCN1 SBB053343 [1,0,0,1,0,0|2,0,0]=4 208 B10R1.18 O=C(O)CC1CNCCO1 SBB050892 [1,0,0,1,0,0|2,0,0]=4 209 B10R1.18 O=C(O)CN1CCCCC1 SBB014040 [1,0,0,1,0,0|1,0,0]=3 210 B10R1.18 O=C(O)CN1CCNCC1 SBB010118 [1,0,0,1,0,0|2,0,0]=4 211 B10R1.18 O=C(O)CN1CCOCC1 SBB010303 [1,0,0,1,0,0|2,0,0]=4 212 B10R1.39 CCN1CCCC1C(=O)O SBB046601 [1,0,0,1,0,0|1,0,0]=3 213 B10R1.61 CN1CCCCC1C(=O)O SBB018690 [1,0,0,1,0,0|1,0,0]=3 214 B10R1.66 CC(=O)CCC1CCCO1 SBB017110 [1,0,0,1,0,0|2,0,0]=4 215 B10R1.66 O=C(Cl)CCC1CCCC1 SBB058619 [1,0,0,1,0,0|1,0,0]=3 216 B10R1.66 O=C(O)CCC1CCCC1 SBB040565 [1,0,0,1,0,0|0,0,0]=2 217 B10R1.66 O=C(O)CCC1CCCO1 SBB014220 [1,0,0,1,0,0|1,0,0]=3 218 B10R1.66 O=C(O)CCN1CCCC1 SBB046363 [1,0,0,1,0,0|1,0,0]=3 219 B10R1.78 O=C1CCCCCCCN1 SBB058438 [1,0,0,1,0,0|1,0,0]=3 220 B10R1.348 O=C(O)C1CCCCCC1 SBB008467 [1,0,0,1,0,0|0,0,0]=2 221 B10R1.4 C=CCC1CCCCC1=O SBB006544 [1,0,0,1,0,0|0,0,2]=4 222 B10R1.17 N(CC=C)C1CCCCC1 SBB004174 [1,0,0,1,0,0|2,0,0]=4 223 B10R1.17 OCCCC1CCCCC1 SBB058808 [1,0,0,1,0,0|0,0,1]=3 224 B10R1.17 OCCCN1CCCCC1 SBB072687 [1,0,0,1,0,0|1,0,1]=4 225 B10R1.17 OCCNC1CCCCC1 SBB007725 [1,0,0,1,0,0|1,0,1]=4 226 B10R1.19 O=C1CCCCCN1CO SBB001697 [1,0,0,1,0,0|2,0,0]=4 227 B10R1.21 CCCCCC1OCCO1 SBB060997 [1,0,0,1,0,0|1,0,1]=4 228 B10R1.21 CCCNCC1CCCO1 SBB010297 [1,0,0,1,0,0|1,0,1]=4 229 B10R1.29 O=C1CCCN1CCCO SBB056162 [1,0,0,1,0,0|2,0,0]=4 230 B10R1.85 CCCC1OCCCCO1 SBB060980 [1,0,0,1,0,0|1,0,1]=4 231 B10R1.85 OCCN1CCCCCC1 SBB005844 [1,0,0,1,0,0|1,0,1]=4 232 B10R1.161 O=CC1CCCCCCC1 SBB059655 [1,0,0,1,0,0|0,0,0]=2 233 B10R1.161 OCC1CCCCCCC1 SBB051438 [1,0,0,1,0,0|0,0,1]=3 234 B12R1.7 CCCCCCC1OCC(C)O1 SBB060959 [0,1,0,1,0,0|1,0,1]=4 235 B12R1.107 CC(CC(=O)O)N1CCOCC1 SBB046529 [0,1,0,1,0,0|2,0,0]=4 236 B12R1.226 CC1CCCN(CCC(=O)O)C1 SBB010524 [0,1,0,1,0,0|1,0,0]=3 237 B12R1.261 CC(=O)N1CCCCC1C(=O)O SBB085475 [0,1,0,1,0,0|1,0,1]=4 238 B12R1.261 O=C(O)C1CCCCC1C(=O)O SBB043503 [0,1,0,1,0,0|1,0,1]=4 239 B12R1.392 O=C(O)C1CCCN1CC(F)F SBB024264 [0,1,0,1,0,0|2,0,0]=4 240 B12R1.1 CCCCCC1CCC(=O)CC1 SBB059350 [0,1,0,1,0,0|1,0,0]=3 241 B12R1.27 COC(=O)CCC1CCCNC1 SBB018703 [0,1,0,1,0,0|1,0,0]=3 242 B12R1.27 COC(=O)CCN1CCCCC1 SBB046508 [0,1,0,1,0,0|1,0,0]=3 243 B12R1.27 COC(=O)CCN1CCOCC1 SBB047869 [0,1,0,1,0,0|2,0,0]=4 244 B12R1.27 NNC(=O)CCN1CCCCC1 SBB017407 [0,1,0,1,0,0|2,0,0]=4 245 B12R1.1748 O=C(CCl)NC1CCCCCC1 SBB042523 [0,1,0,1,0,0|2,0,0]=4 246 B12R1.43 CC(CN1CCOCC1)C(=O)O SBB010554 [0,1,0,1,0,0|2,0,0]=4 247 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O SBB068690 [0,1,0,1,0,0|1,0,0]=3 248 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O SBB065823 [0,1,0,1,0,0|0,0,0]=2 249 B12R1.337 CCCCC1NC(C(=O)O)CS1 SBB300479 [0,1,0,1,0,0|1,0,0]=3 250 B12R1.2197 CC(C(=O)O)N1CCCCCC1 SBB050883 [0,1,0,1,0,0|1,0,0]=3 251 B12R1.54 CC(CCC(=O)O)N1CCCC1 SBB301863 [0,1,0,1,0,0|1,0,0]=3 252 B12R1.54 O=C(O)CCC(=O)N1CCCC1 SBB048140 [0,1,0,1,0,0|1,0,1]=4 253 B12R1.210 O=C(O)CN1CCCCCC1=O SBB045206 [0,1,0,1,0,0|1,0,1]=4 254 B12R1.1009 CC1CCCC(C)N1CC(=O)O SBB050882 [0,1,0,1,0,0|1,0,0]=3 255 B12R1.1343 O=C(O)CCN1CCCCCC1 SBB010525 [0,1,0,1,0,0|0,0,0]=2 256 B12R1.1343 O=C(O)CNC1CCCCCC1 SBB046505 [0,1,0,1,0,0|0,0,0]=2 257 B12R1.3110 O=C(O)C#CC1(O)CCCCC1 SBB013587 [0,1,0,1,0,0|0,0,2]=4 258 B12R1.21 CC1CCN(CCC(=O)O)CC1 SBB010527 [0,1,0,1,0,0|1,0,0]=3 259 B12R1.21 CN1CCC(NCC(=O)O)CC1 SBB010544 [0,1,0,1,0,0|2,0,0]=4 260 B12R1.21 CN1CCN(CCC(=O)O)CC1 SBB010546 [0,1,0,1,0,0|2,0,0]=4 261 B12R1.21 CN1CCN(CCC(=O)O)CC1 SBB076293 [0,1,0,1,0,0|2,0,0]=4 262 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)O SBB007612 [0,1,0,1,0,0|1,0,1]=4 263 B12R1.125 CC1CCCCN1CCC(=O)O SBB010526 [0,1,0,1,0,0|0,0,0]=2 264 B12R1.125 O=C(O)CCC1CCCCC1=O SBB010511 [0,1,0,1,0,0|0,0,1]=3 265 B12R1.252 CC(=O)CCC=C1CCCCC1 SBB088034 [0,1,0,1,0,0|1,0,1]=4 266 B12R1.252 CC(=O)NCCC1CCCCN1 SBB013554 [0,1,0,1,0,0|2,0,0]=4 267 B12R1.252 NC(=O)CCNC1CCCCC1 SBB080387 [0,1,0,1,0,0|1,0,0]=3 268 B12R1.252 O=C(O)CCCC1CCCCN1 SBB014750 [0,1,0,1,0,0|0,0,0]=2 269 B12R1.252 O=C(O)CCCC1CCNCC1 SBB003471 [0,1,0,1,0,0|0,0,0]=2 270 B12R1.252 O=C(O)CCCC1CCNCC1 SBB014751 [0,1,0,1,0,0|0,0,0]=2 271 B12R1.252 O=C(O)CCCN1CCOCC1 SBB077225 [0,1,0,1,0,0|1,0,0]=3 272 B12R1.252 O=C([O-])CCCC1CCCCC1 SBB008626 [0,1,0,1,0,0|0,0,1]=3 273 B12R1.75 CCC1CCCCN1CC(=O)O SBB111674 [0,1,0,1,0,0|0,0,0]=2 274 B12R1.130 O=C(O)CCCN1CCCC1=O SBB010521 [0,1,0,1,0,0|1,0,1]=4 275 B12R1.255 CC(O)CCCCC1CCCO1 SBB017121 [0,1,0,1,0,0|1,0,1]=4 276 B12R1.255 OC(=O)CCCCC1CCSS1 SBB003484 [0,1,0,1,0,0|1,0,0]=3 277 B12R2.1081 O=C1CCCC2CCCCC12 SBB061657 [0,0,0,2,0,0|1,0,0]=3 278 B12R2.1081 [C@@H]12CCCC[C@H]1C(=O)CCN2 SBB001866 [0,0,0,2,0,0|2,0,0]=4 279 B12R2.2918 O=C1CC2(CCCCC2)CN1 SBB051418 [0,0,0,2,0,0|2,0,0]=4 280 B12R2.2918 O=C1CSC2(CCCCC2)N1 SBB088536 [0,0,0,2,0,0|2,0,0]=4 281 B12R2.1392 O=C(O)C1CN2CCC1CC2 SBB007474 [0,0,0,2,0,0|1,0,0]=3 282 B12R2.2028 C12CCCCC1C(=O)OC2=O SBB058760 [0,0,0,2,0,0|1,0,1]=4 283 B12R2.1661 CC(=O)NC1CC2CCC1C2 SBB057102 [0,0,0,2,0,0|2,0,0]=4 284 B12R2.1661 O=C(O)CC1CC2CCC1C2 SBB008500 [0,0,0,2,0,0|0,0,0]=2