0 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.2 CCCCCCCC(=O)O SBB060020 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.2 CCCCCCCC(C)=O SBB061540 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.2 CCCCCCCC(C)O SBB008521 [0,0,0,0,0,0|1,0,3]=4 4 B9R0.2 CCCCCCCC(N)=O SBB061055 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.2 CCCCCCNC(N)=S SBB028342 [0,0,0,0,0,0|2,1,1]=4 6 B9R0.2 CCCCCCOC(C)=O SBB060306 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.2 CCCCSCCC(=O)O SBB001705 [0,0,0,0,0,0|1,0,2]=3 8 B9R0.2 NCCCCCCC(=O)O SBB072673 [0,0,0,0,0,0|1,0,2]=3 9 B9R0.2 O=C(O)CCCCCCO SBB059715 [0,0,0,0,0,0|1,0,2]=3 10 B9R0.2 [NH2+]=C(N)SCCCCCC SBB060417 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.4 C=CCCCCCCC SBB060474 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.4 CCCCCC#CCO SBB009105 [1,0,0,0,0,0|0,0,3]=4 13 B8R0.4 CCCCCCCC=O SBB059871 [1,0,0,0,0,0|0,0,2]=3 14 B8R0.4 CCCCCCCCO SBB059902 [1,0,0,0,0,0|0,0,3]=4 15 B8R0.4 CCCCCCN=C=O SBB058614 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.4 CCCCCCNC=O SBB061175 [1,0,0,0,0,0|1,0,1]=3 17 B8R0.4 CCCCCCOC=O SBB060302 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.4 CCCCCNCCO SBB059826 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.4 CCCCC\C=C\C=O SBB068337 [1,0,0,0,0,0|0,0,0]=1 20 B8R0.4 C\C=C\CSCCCC SBB061594 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.7 C#CCCCCC(=O)O SBB008797 [1,0,0,0,0,0|0,0,3]=4 22 B8R0.7 CC(=O)OCCCCCl SBB059334 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.7 CCCCCCC(=O)Cl SBB060012 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.7 CCCCCCC(=O)O SBB053587 [1,0,0,0,0,0|0,0,1]=2 25 B8R0.7 CCCCCCC(C)=O SBB060387 [1,0,0,0,0,0|1,0,1]=3 26 B8R0.7 CCCCCCC(C)O SBB059903 [1,0,0,0,0,0|1,0,2]=4 27 B8R0.7 CCCCCOC(C)=O SBB060027 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.7 CCCCSCC(=O)O SBB061205 [1,0,0,0,0,0|1,0,1]=3 29 B8R0.7 CCCNCCC(N)=O SBB116773 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.7 CCOCCOC(C)=O SBB061000 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.7 COCCOCC(=O)O SBB008497 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.7 NCCCCCC(=O)O SBB015068 [1,0,0,0,0,0|1,0,1]=3 33 B8R0.7 O=C(O)CCCCCBr SBB065783 [1,0,0,0,0,0|1,0,1]=3 34 B8R0.7 O=C(O)CCNCCO SBB079386 [1,0,0,0,0,0|2,0,1]=4 35 B10R0.3 CCCC(S)CCOC(C)=O SBB056433 [0,1,0,0,0,0|2,0,1]=4 36 B10R0.4 CCCCCCCCC(=O)Cl SBB060014 [0,1,0,0,0,0|1,0,2]=4 37 B10R0.4 CCCCCCCCC(=O)O SBB058693 [0,1,0,0,0,0|0,0,2]=3 38 B10R0.4 CCCCCCCCC(N)=O SBB061053 [0,1,0,0,0,0|1,0,2]=4 39 B10R0.4 CCCCCCCOC(C)=O SBB060307 [0,1,0,0,0,0|1,0,2]=4 40 B10R0.4 CCCCOCCOC(C)=O SBB061001 [0,1,0,0,0,0|2,0,1]=4 41 B10R0.4 OC(=O)CCCCCCCN SBB006735 [0,1,0,0,0,0|0,0,2]=3 42 B10R0.22 CCCCCCCP(=O)(O)O SBB057478 [0,1,0,0,0,0|1,0,2]=4 43 B10R0.74 CCCCCC#CC(=O)OC SBB009081 [0,1,0,0,0,0|0,0,2]=3 44 B10R0.74 CCCCCCCC(=O)NN SBB056838 [0,1,0,0,0,0|1,0,2]=4 45 B10R0.74 CCCCCCCC(=O)OC SBB060592 [0,1,0,0,0,0|0,0,2]=3 46 B10R0.74 CCCCCCNC(=O)CCl SBB017392 [0,1,0,0,0,0|2,0,1]=4 47 B10R0.74 CCCCCCOC(=O)CCl SBB061569 [0,1,0,0,0,0|2,0,1]=4 48 B10R0.74 CCCCCCOC(=O)CS SBB061229 [0,1,0,0,0,0|1,1,1]=4 49 B10R0.75 CCCCCCC(N)C(=O)O SBB058628 [0,1,0,0,0,0|0,0,2]=3 50 B10R0.78 CCCCC(C)CCC(=O)O SBB065822 [0,1,0,0,0,0|0,0,2]=3 51 B10R1.16 CCCCN1C=CC(C)=N1 SBB025003 [0,0,0,1,0,0|3,0,0]=4 52 B10R1.16 CCCCN1C=CC(N)=N1 SBB022905 [0,0,0,1,0,0|3,0,0]=4 53 B10R1.18 CC(=O)CN1CCCCC1 SBB046418 [0,0,0,1,0,0|2,0,1]=4 54 B10R1.18 CC(=O)NC1CCCCC1 SBB058211 [0,0,0,1,0,0|2,0,1]=4 55 B10R1.18 CC(=O)OC1CCCCC1 SBB060309 [0,0,0,1,0,0|2,0,1]=4 56 B10R1.18 NC(=O)NC1CCCCC1 SBB028268 [0,0,0,1,0,0|2,0,1]=4 57 B10R1.18 O=C(O)CC1=CCCCC1 SBB008386 [0,0,0,1,0,0|0,0,2]=3 58 B10R1.18 O=C(O)CC1CCCCC1 SBB058720 [0,0,0,1,0,0|0,0,2]=3 59 B10R1.18 O=C(O)CC1CCCCN1 SBB010294 [0,0,0,1,0,0|1,0,2]=4 60 B10R1.18 O=C(O)CC1CCCCO1 SBB002787 [0,0,0,1,0,0|1,0,2]=4 61 B10R1.18 O=C(O)CC1CCCOC1 SBB027192 [0,0,0,1,0,0|1,0,2]=4 62 B10R1.18 O=C(O)CN1CCCCC1 SBB014040 [0,0,0,1,0,0|1,0,1]=3 63 B10R1.18 O=C(O)CN1CCNCC1 SBB010118 [0,0,0,1,0,0|2,0,1]=4 64 B10R1.18 O=C(O)CN1CCOCC1 SBB010303 [0,0,0,1,0,0|2,0,1]=4 65 B10R1.39 CCC1=C(C(=O)O)C=NN1 SBB085439 [0,0,0,1,0,0|2,0,1]=4 66 B10R1.39 CCN1CCCC1C(=O)O SBB046601 [0,0,0,1,0,0|1,0,2]=4 67 B10R1.39 CCN1N=CC=C1C(=O)O SBB000009 [0,0,0,1,0,0|2,0,1]=4 68 B10R1.61 CN1CCCCC1C(=O)O SBB018690 [0,0,0,1,0,0|1,0,2]=4 69 B10R1.66 O=C(Cl)CCC1CCCC1 SBB058619 [0,0,0,1,0,0|1,0,2]=4 70 B10R1.66 O=C(O)CCC1CCCC1 SBB040565 [0,0,0,1,0,0|0,0,2]=3 71 B10R1.66 O=C(O)CCC1CCCO1 SBB014220 [0,0,0,1,0,0|1,0,2]=4 72 B10R1.66 O=C(O)CCN1CCCC1 SBB046363 [0,0,0,1,0,0|1,0,2]=4 73 B10R1.78 O=C1CCCCCCCN1 SBB058438 [0,0,0,1,0,0|1,0,2]=4 74 B10R1.348 O=C(O)C1CCCCCC1 SBB008467 [0,0,0,1,0,0|0,0,2]=3 75 B7R0.1 C=CCCCCCC SBB059884 [2,0,0,0,0,0|0,0,1]=3 76 B7R0.1 C=CCSCCCC SBB058522 [2,0,0,0,0,0|1,0,1]=4 77 B7R0.1 CCCCCOC=O SBB060301 [2,0,0,0,0,0|1,0,0]=3 78 B7R0.1 C\C=C\CCCCC SBB059885 [2,0,0,0,0,0|0,0,1]=3 79 B7R0.4 C#CCCCC(=O)O SBB009090 [2,0,0,0,0,0|0,0,2]=4 80 B7R0.4 CCCC#CC(=O)O SBB009091 [2,0,0,0,0,0|0,0,2]=4 81 B7R0.4 CCCCCC(=O)Cl SBB060011 [2,0,0,0,0,0|1,0,0]=3 82 B7R0.4 CCCCCC(=O)O SBB053586 [2,0,0,0,0,0|0,0,0]=2 83 B7R0.4 CCCCCC(C)=O SBB061125 [2,0,0,0,0,0|1,0,0]=3 84 B7R0.4 CCCCCC(N)=O SBB061056 [2,0,0,0,0,0|1,0,0]=3 85 B7R0.4 CCCCOC(N)=O SBB060819 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.4 CCC\C=C\C(=O)O SBB009088 [2,0,0,0,0,0|0,0,0]=2 87 B7R0.4 CCOCCC(=O)O SBB053607 [2,0,0,0,0,0|1,0,0]=3 88 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [2,0,0,0,0,0|0,0,2]=4 89 B7R0.4 NCCCCC(=O)O SBB061559 [2,0,0,0,0,0|1,0,0]=3 90 B7R0.4 O=C(O)CCCCBr SBB061343 [2,0,0,0,0,0|1,0,0]=3 91 B7R0.4 O=C(O)CCCCCl SBB061215 [2,0,0,0,0,0|1,0,0]=3 92 B7R0.4 OC(=O)C\C=C/CC SBB006610 [2,0,0,0,0,0|0,0,2]=4 93 B9R0.45 C(=O)\C=C\CCCCCC SBB006609 [1,1,0,0,0,0|0,0,0]=2 94 B9R0.45 C(=O)\C=C\CC\C=C/CC SBB006611 [1,1,0,0,0,0|0,0,1]=3 95 B9R0.45 CCCCCCCCC=O SBB059872 [1,1,0,0,0,0|0,0,2]=4 96 B9R0.45 CCCCCCCOC=O SBB060303 [1,1,0,0,0,0|0,0,2]=4 97 B9R0.38 CCCCCCP(=O)(O)O SBB057477 [1,1,0,0,0,0|1,0,1]=4 98 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB003731 [1,1,0,0,0,0|1,0,1]=4 99 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB062859 [1,1,0,0,0,0|1,0,1]=4 100 B9R0.47 NCCCC[C@H](N)C(=O)O SBB062982 [1,1,0,0,0,0|1,0,1]=4 101 B9R0.48 CCNC(=O)\C=C/C(=O)O SBB028463 [1,1,0,0,0,0|1,0,1]=4 102 B9R0.48 CCOC(=O)\C=C\C(=O)O SBB065780 [1,1,0,0,0,0|1,0,1]=4 103 B9R0.55 CC(=O)CCCCC(=O)O SBB068339 [1,1,0,0,0,0|0,0,2]=4 104 B9R0.55 CC(C)CCCCC(=O)O SBB065917 [1,1,0,0,0,0|0,0,1]=3 105 B11R0.30 CC(C)CCCCCCC(=O)O SBB088692 [0,2,0,0,0,0|0,0,2]=4 106 B11R0.40 CCCCCCC#CC(=O)OC SBB088197 [0,2,0,0,0,0|0,0,2]=4 107 B11R0.40 CCCCCCCCC(=O)OC SBB060593 [0,2,0,0,0,0|0,0,2]=4 108 B11R0.148 CCCCCCCCCC(=O)O SBB060022 [0,2,0,0,0,0|0,0,2]=4 109 B11R0.148 CCCCSCCCCC(=O)O SBB019267 [0,2,0,0,0,0|0,0,2]=4 110 B11R0.4 CCCCCC#CC(=O)OCC SBB008812 [0,2,0,0,0,0|0,0,2]=4 111 B11R0.4 CCCCCCCC(=O)OCC SBB061059 [0,2,0,0,0,0|0,0,2]=4 112 B11R0.164 CCCCC(CC)CCC(=O)O SBB067105 [0,2,0,0,0,0|0,0,2]=4 113 B9R1.8 C(=O)NC1CCCCC1 SBB007682 [1,0,0,1,0,0|1,0,1]=4 114 B9R1.12 CCNCC1=CC=CO1 SBB047492 [1,0,0,1,0,0|1,0,1]=4 115 B9R1.12 NCCCC1=CC=CO1 SBB047796 [1,0,0,1,0,0|1,0,1]=4 116 B9R1.15 CCC1CCCOC1=O SBB061552 [1,0,0,1,0,0|1,0,1]=4 117 B9R1.50 O=C1CCCCCCC1 SBB008888 [1,0,0,1,0,0|0,0,2]=4 118 B9R1.89 O=CC1CCCCCC1 SBB059644 [1,0,0,1,0,0|0,0,2]=4 119 B9R1.6 NC(=O)C1CCCCC1 SBB008414 [1,0,0,1,0,0|1,0,1]=4 120 B9R1.6 O=C(Cl)C1CCCCC1 SBB040626 [1,0,0,1,0,0|1,0,1]=4 121 B9R1.6 O=C(O)C1CCCCC1 SBB008550 [1,0,0,1,0,0|0,0,1]=3 122 B9R1.6 O=C(O)C1CCCCO1 SBB027215 [1,0,0,1,0,0|1,0,1]=4 123 B9R1.6 O=C(O)C1CCCNC1 SBB027313 [1,0,0,1,0,0|1,0,1]=4 124 B9R1.6 O=C(O)C1CCCOC1 SBB014997 [1,0,0,1,0,0|1,0,1]=4 125 B9R1.6 O=C(O)C1CCNCC1 SBB003906 [1,0,0,1,0,0|1,0,1]=4 126 B9R1.6 O=C(O)C1CCNCC1 SBB004231 [1,0,0,1,0,0|1,0,1]=4 127 B9R1.6 O=C(O)C1CCOCC1 SBB027643 [1,0,0,1,0,0|1,0,1]=4 128 B9R1.6 O=C(O)C1CCSCC1 SBB053436 [1,0,0,1,0,0|1,0,1]=4 129 B9R1.6 O=C(O)[C@@H]1CCCCN1 SBB006732 [1,0,0,1,0,0|1,0,1]=4 130 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [1,0,0,1,0,0|0,0,0]=2 131 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [1,0,0,1,0,0|1,0,1]=4 132 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.13 O=C(Cl)CC1CCCC1 SBB116687 [1,0,0,1,0,0|1,0,1]=4 134 B9R1.13 O=C(Cl)OC1CCCC1 SBB056243 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [1,0,0,1,0,0|0,0,1]=3 136 B9R1.13 O=C(O)CC1CCCO1 SBB002788 [1,0,0,1,0,0|1,0,1]=4 137 B9R1.13 O=C(O)CN1CCCC1 SBB017909 [1,0,0,1,0,0|1,0,1]=4 138 B9R1.13 O=C(O)C[C@@H]1CCCN1 SBB066746 [1,0,0,1,0,0|1,0,1]=4 139 B9R1.41 CN1CCCC1C(=O)O SBB108828 [1,0,0,1,0,0|1,0,1]=4 140 B9R1.84 O=C(O)CCC1CCC1 SBB072391 [1,0,0,1,0,0|0,0,1]=3 141 B11R1.124 CCCC1=CC(C(=O)O)=CS1 SBB020620 [0,1,0,1,0,0|1,0,1]=4 142 B11R1.124 CCCC1=CC=C(C(=O)O)S1 SBB009571 [0,1,0,1,0,0|0,0,2]=4 143 B11R1.124 CCCN1C=C(C(=O)O)C=N1 SBB010351 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.124 CCCN1C=CC(C(=O)O)=N1 SBB009555 [0,1,0,1,0,0|1,0,1]=4 145 B11R1.157 CC1CCCN(CC(=O)O)C1 SBB010390 [0,1,0,1,0,0|1,0,1]=4 146 B11R1.172 O=C(O)CCCN1CCCC1 SBB077224 [0,1,0,1,0,0|0,0,2]=4 147 B11R1.172 O=C(O)COCC1CCCO1 SBB010420 [0,1,0,1,0,0|1,0,1]=4 148 B11R1.86 CC1CCCCN1CC(=O)O SBB046596 [0,1,0,1,0,0|0,0,2]=4 149 B11R1.86 CN1CCCCC1CC(=O)O SBB010391 [0,1,0,1,0,0|0,0,2]=4 150 B11R1.91 NC(=O)NN=C1CCCCC1 SBB087080 [0,1,0,1,0,0|2,0,0]=4 151 B11R1.91 O=C(O)CCC1CCCCN1 SBB018825 [0,1,0,1,0,0|0,0,2]=4 152 B11R1.91 O=C(O)CCC1CCCNC1 SBB014718 [0,1,0,1,0,0|0,0,2]=4 153 B11R1.91 O=C(O)\C=C\C1CC=CCC1 SBB076267 [0,1,0,1,0,0|0,0,1]=3 154 B11R1.143 CC(=O)N1CCCCCC1=O SBB008053 [0,1,0,1,0,0|2,0,0]=4 155 B11R1.193 CCCC1=NNC=C1C(=O)O SBB047781 [0,1,0,1,0,0|1,0,1]=4 156 B11R1.193 CCCN1N=CC=C1C(=O)O SBB022365 [0,1,0,1,0,0|1,0,1]=4 157 B11R1.742 O=C(O)CN1CCCCCC1 SBB010389 [0,1,0,1,0,0|0,0,2]=4 158 B11R1.34 CCCC1CC(=O)CC(=O)C1 SBB059705 [0,1,0,1,0,0|1,0,1]=4 159 B11R1.77 CN(CC(=O)O)C1CCCC1 SBB303285 [0,1,0,1,0,0|1,0,1]=4 160 B11R1.928 O=C(O)CC1(O)CCCCC1 SBB300165 [0,1,0,1,0,0|0,0,2]=4 161 B11R1.20 CC1CCN(CC(=O)O)CC1 SBB010388 [0,1,0,1,0,0|1,0,1]=4 162 B11R1.20 NC1CCN(CC(=O)O)CC1 SBB014698 [0,1,0,1,0,0|1,0,1]=4 163 B11R1.1 CCCCC1=CC=C(O)C=C1 SBB059153 [0,1,0,1,0,0|1,0,1]=4 164 B11R1.214 CCCCC1=CC=C(C=O)S1 SBB079517 [0,1,0,1,0,0|0,1,1]=4 165 B11R1.36 CC(C(=O)O)N1CCCCC1 SBB045912 [0,1,0,1,0,0|1,0,1]=4 166 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 SBB067146 [0,1,0,1,0,0|0,0,2]=4 167 B11R1.36 O=C(O)[C@@H](O)C1CCCCC1 SBB058636 [0,1,0,1,0,0|0,0,2]=4 168 B11R2.10 O=C1OC2CCCCC2O1 SBB002057 [0,0,0,2,0,0|1,0,1]=4 169 B11R2.1852 O=C(O)C1C2CCCCC21 SBB010153 [0,0,0,2,0,0|0,0,2]=4 170 B11R2.845 O=C(O)C1CC2CCC1C2 SBB008208 [0,0,0,2,0,0|0,0,2]=4