0 B10R1.16 CCCCC1=NN=C(N)O1 SBB059733 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.16 CCCCC1=NNC(=S)O1 SBB062587 [0,0,0,0,0,0|2,1,1]=4 2 B9R1.7 CCCC1OCC(C)O1 SBB060973 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.12 CCCCN1CCCC1 SBB061041 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.12 CCCNC1CCCC1 SBB080044 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.12 CCNCC1CCCO1 SBB080022 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.12 NCCCC1CCOC1 SBB012984 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.15 N1C(=O)CC[C@@H]1C(=O)OCC SBB017510 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.15 N1C(=O)CC[C@H]1C(=O)OCC SBB017516 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.75 O=C(O)CCC1CCC(=O)N1 SBB301699 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [0,0,1,0,0,0|1,0,0]=2 11 B9R0.2 CCCCCCCC(=O)O SBB060020 [0,0,1,0,0,0|0,0,0]=1 12 B9R0.2 CCCCCCCC(C)=O SBB061540 [0,0,1,0,0,0|1,0,0]=2 13 B9R0.2 CCCCCCCC(C)O SBB008521 [0,0,1,0,0,0|1,0,1]=3 14 B9R0.2 CCCCCCCC(N)=O SBB061055 [0,0,1,0,0,0|1,0,0]=2 15 B9R0.2 CCCCCCCN(C)C SBB061364 [0,0,1,0,0,0|3,0,0]=4 16 B9R0.2 CCCCCCNC(N)=S SBB028342 [0,0,1,0,0,0|2,1,0]=4 17 B9R0.2 CCCCCCOC(C)=O SBB060306 [0,0,1,0,0,0|2,0,0]=3 18 B9R0.2 CCCCSCCC(=O)O SBB001705 [0,0,1,0,0,0|1,0,0]=2 19 B9R0.2 COCCNCCC(N)=O SBB116772 [0,0,1,0,0,0|3,0,0]=4 20 B9R0.2 NCCCCCCC(=O)O SBB072673 [0,0,1,0,0,0|1,0,0]=2 21 B9R0.2 O=C(O)CCCCCCO SBB059715 [0,0,1,0,0,0|1,0,0]=2 22 B9R0.2 [NH2+]=C(N)SCCCCCC SBB060417 [0,0,1,0,0,0|3,0,0]=4 23 B9R0.46 CCCCC#CC(=O)OC SBB009075 [0,0,1,0,0,0|2,0,1]=4 24 B9R0.46 CCCCCCC(=O)CC SBB007744 [0,0,1,0,0,0|1,0,0]=2 25 B9R0.46 CCCCCCC(=O)NN SBB021011 [0,0,1,0,0,0|3,0,0]=4 26 B9R0.46 CCCCCCC(=O)OC SBB060317 [0,0,1,0,0,0|2,0,0]=3 27 B9R0.46 CCCCCNC(=O)CCl SBB017391 [0,0,1,0,0,0|2,0,0]=3 28 B9R0.46 CCCCCOC(=O)CC SBB058817 [0,0,1,0,0,0|0,0,0]=1 29 B9R0.46 CCCCCOC(=O)CCl SBB060707 [0,0,1,0,0,0|1,0,0]=2 30 B9R0.46 CCCCCOC(=O)CS SBB061204 [0,0,1,0,0,0|1,0,0]=2 31 B9R0.46 COC(=O)CCCCCN SBB003739 [0,0,1,0,0,0|3,0,0]=4 32 B9R0.46 COCCCNC(=O)CCl SBB017961 [0,0,1,0,0,0|3,0,0]=4 33 B11R2.10 O=C1OC2CCCCC2O1 SBB002057 [0,0,0,1,0,0|1,0,0]=2 34 B11R2.10 S=C1NC2CCCCC2N1 SBB048778 [0,0,0,1,0,0|2,1,0]=4 35 B11R1.1 CCCCC1CCC(=O)CC1 SBB059680 [0,0,0,0,0,1|1,0,0]=2 36 B11R1.1 CCCCN1CCC(=O)CC1 SBB087084 [0,0,0,0,0,1|2,0,0]=3 37 B11R1.1 [C@H]1(N)CC[C@@H](CCCC)CC1 SBB059718 [0,0,0,0,0,1|2,0,1]=4 38 B11R1.1 [C@H]1(O)CC[C@H](CCCC)CC1 SBB059708 [0,0,0,0,0,1|1,0,2]=4 39 B8R0.4 C=CCCCCCCC SBB060474 [1,0,1,0,0,0|1,0,0]=3 40 B8R0.4 CCCCCCCC#N SBB060053 [1,0,1,0,0,0|1,0,1]=4 41 B8R0.4 CCCCCCCC=O SBB059871 [1,0,1,0,0,0|0,0,0]=2 42 B8R0.4 CCCCCCCCBr SBB059937 [1,0,1,0,0,0|1,0,1]=4 43 B8R0.4 CCCCCCCCCl SBB059955 [1,0,1,0,0,0|1,0,1]=4 44 B8R0.4 CCCCCCCCN SBB059986 [1,0,1,0,0,0|1,0,1]=4 45 B8R0.4 CCCCCCCCO SBB059902 [1,0,1,0,0,0|0,0,1]=3 46 B8R0.4 CCCCCCCNC SBB059820 [1,0,1,0,0,0|2,0,0]=4 47 B8R0.4 CCCCCCN=C=O SBB058614 [1,0,1,0,0,0|1,0,1]=4 48 B8R0.4 CCCCCCNC=O SBB061175 [1,0,1,0,0,0|1,0,0]=3 49 B8R0.4 CCCCCCOC=O SBB060302 [1,0,1,0,0,0|1,0,0]=3 50 B8R0.4 CCCCCCSCC SBB061179 [1,0,1,0,0,0|2,0,0]=4 51 B8R0.4 CCCCCNCCO SBB059826 [1,0,1,0,0,0|1,0,1]=4 52 B8R0.4 CCCCC\C=C\C=O SBB068337 [1,0,1,0,0,0|0,0,2]=4 53 B8R0.4 OCCCCCCCBr SBB061558 [1,0,1,0,0,0|1,0,1]=4 54 B8R0.7 C#CCCCCC(=O)O SBB008797 [1,0,1,0,0,0|0,0,2]=4 55 B8R0.7 CC(=O)OCCCCCl SBB059334 [1,0,1,0,0,0|1,0,0]=3 56 B8R0.7 CCCCCCC(=O)Cl SBB060012 [1,0,1,0,0,0|1,0,0]=3 57 B8R0.7 CCCCCCC(=O)O SBB053587 [1,0,1,0,0,0|0,0,0]=2 58 B8R0.7 CCCCCCC(C)=O SBB060387 [1,0,1,0,0,0|1,0,0]=3 59 B8R0.7 CCCCCCC(C)O SBB059903 [1,0,1,0,0,0|1,0,1]=4 60 B8R0.7 CCCCCOC(C)=O SBB060027 [1,0,1,0,0,0|0,0,0]=2 61 B8R0.7 CCCCSCC(=O)O SBB061205 [1,0,1,0,0,0|1,0,0]=3 62 B8R0.7 CCCNCCC(N)=O SBB116773 [1,0,1,0,0,0|2,0,0]=4 63 B8R0.7 CCOCCOC(C)=O SBB061000 [1,0,1,0,0,0|1,0,0]=3 64 B8R0.7 COCCOCC(=O)O SBB008497 [1,0,1,0,0,0|2,0,0]=4 65 B8R0.7 NCCCCCC(=O)O SBB015068 [1,0,1,0,0,0|1,0,0]=3 66 B8R0.7 O=C(O)CCCCCBr SBB065783 [1,0,1,0,0,0|1,0,0]=3 67 B8R0.7 O=C(O)CCNCCO SBB079386 [1,0,1,0,0,0|2,0,0]=4 68 B8R0.1 CCCCC(O)CCC SBB059905 [1,0,1,0,0,0|0,0,1]=3 69 B8R0.5 CCCC(C)CC(=O)O SBB061321 [1,0,1,0,0,0|2,0,0]=4 70 B8R0.11 C(=O)\C(=C\CCC)CC SBB008156 [1,0,1,0,0,0|0,0,2]=4 71 B8R0.11 CCCCC(C=O)CC SBB060148 [1,0,1,0,0,0|0,0,0]=2 72 B8R0.11 CCCCC(CC)CBr SBB059938 [1,0,1,0,0,0|1,0,1]=4 73 B8R0.11 CCCCC(CC)CCl SBB005809 [1,0,1,0,0,0|1,0,1]=4 74 B8R0.11 CCCCC(CC)CI SBB061182 [1,0,1,0,0,0|1,0,1]=4 75 B8R0.11 CCCCC(CC)CO SBB059906 [1,0,1,0,0,0|0,0,2]=4 76 B8R0.11 NCC(CC)CCCC SBB006745 [1,0,1,0,0,0|1,0,1]=4 77 B8R0.6 CCCCCC(=O)CC SBB060388 [1,0,1,0,0,0|0,0,0]=2 78 B8R0.6 CCCCCC(=O)NN SBB021010 [1,0,1,0,0,0|2,0,0]=4 79 B8R0.6 CCCCCC(=O)NO SBB008093 [1,0,1,0,0,0|2,0,0]=4 80 B8R0.6 CCCCCC(=O)OC SBB060591 [1,0,1,0,0,0|1,0,0]=3 81 B8R0.6 CCCCCC(O)CC SBB059904 [1,0,1,0,0,0|0,0,2]=4 82 B8R0.6 CCCCNC(=O)CCl SBB010319 [1,0,1,0,0,0|2,0,0]=4 83 B8R0.6 CCCCOC(=O)CC SBB060578 [1,0,1,0,0,0|0,0,0]=2 84 B8R0.6 CCCCOC(=O)CCl SBB060760 [1,0,1,0,0,0|1,0,0]=3 85 B8R0.6 CCCCOC(=O)CF SBB085867 [1,0,1,0,0,0|1,0,0]=3 86 B8R0.6 CCCCOC(=O)CS SBB061004 [1,0,1,0,0,0|1,0,0]=3 87 B8R0.6 COC(=O)CCCCBr SBB070759 [1,0,1,0,0,0|2,0,0]=4 88 B8R1.1 CCC1COC(=O)O1 SBB008625 [2,0,0,0,0,0|1,0,0]=3 89 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [2,0,0,0,0,0|1,0,0]=3 90 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [2,0,0,0,0,0|2,0,0]=4 91 B8R1.8 CCCC1OCCO1 SBB060981 [2,0,0,0,0,0|1,0,1]=4 92 B8R1.8 CCCC1OCCS1 SBB056724 [2,0,0,0,0,0|1,0,1]=4 93 B10R0.3 CCCC(S)CCOC(C)=O SBB056433 [0,1,1,0,0,0|2,0,0]=4 94 B10R0.4 CCCCCCCCB(O)O SBB071319 [0,1,1,0,0,0|1,0,1]=4 95 B10R0.4 CCCCCCCCC(=O)Cl SBB060014 [0,1,1,0,0,0|1,0,0]=3 96 B10R0.4 CCCCCCCCC(=O)O SBB058693 [0,1,1,0,0,0|0,0,0]=2 97 B10R0.4 CCCCCCCCC(N)=O SBB061053 [0,1,1,0,0,0|1,0,0]=3 98 B10R0.4 CCCCCCCNC(N)=S SBB017692 [0,1,1,0,0,0|1,1,0]=4 99 B10R0.4 CCCCCCCOC(C)=O SBB060307 [0,1,1,0,0,0|1,0,0]=3 100 B10R0.4 CCCCCCNCC(C)O SBB059797 [0,1,1,0,0,0|1,0,1]=4 101 B10R0.4 CCCCOCCOC(C)=O SBB061001 [0,1,1,0,0,0|2,0,0]=4 102 B10R0.4 OC(=O)CCCCCCCN SBB006735 [0,1,1,0,0,0|0,0,0]=2 103 B10R0.4 [NH2+]=C(N)SCCCCCCC SBB056871 [0,1,1,0,0,0|2,0,0]=4 104 B10R0.22 CCCCCCCP(=O)(O)O SBB057478 [0,1,1,0,0,0|1,0,0]=3 105 B10R0.55 COC(=O)CCCCC(=O)O SBB065981 [0,1,1,0,0,0|1,0,1]=4 106 B10R0.74 CCCCCC#CC(=O)OC SBB009081 [0,1,1,0,0,0|0,0,2]=4 107 B10R0.74 CCCCCCCC(=O)NN SBB056838 [0,1,1,0,0,0|1,0,0]=3 108 B10R0.74 CCCCCCCC(=O)OC SBB060592 [0,1,1,0,0,0|0,0,0]=2 109 B10R0.74 CCCCCCCC(C)C=O SBB061221 [0,1,1,0,0,0|1,0,1]=4 110 B10R0.74 CCCCCCNC(=O)CCl SBB017392 [0,1,1,0,0,0|2,0,0]=4 111 B10R0.74 CCCCCCOC(=O)CCl SBB061569 [0,1,1,0,0,0|2,0,0]=4 112 B10R0.74 CCCCCCOC(=O)CS SBB061229 [0,1,1,0,0,0|1,1,0]=4 113 B10R0.75 CCCCCCC(N)C(=O)O SBB058628 [0,1,1,0,0,0|0,0,0]=2 114 B10R0.78 CCCCC(C)CCC(=O)O SBB065822 [0,1,1,0,0,0|0,0,0]=2 115 B10R0.97 O=C(O)CCCCCC(=O)O SBB007898 [0,1,1,0,0,0|1,0,1]=4 116 B10R0.87 CC(=O)OC(CBr)CCCBr SBB008125 [0,1,1,0,0,0|1,0,0]=3 117 B10R0.96 CC(=O)OCC(C)OC(C)=O SBB008331 [0,1,1,0,0,0|1,0,1]=4 118 B10R0.1 CCCCC#CC(=O)OCC SBB008804 [0,1,1,0,0,0|1,0,1]=4 119 B10R0.1 CCCCCCC(=O)OCC SBB061117 [0,1,1,0,0,0|1,0,0]=3 120 B10R0.1 CCCCCOC(=O)CCC SBB060758 [0,1,1,0,0,0|0,0,0]=2 121 B10R0.1 CCOC(=O)CCCCCBr SBB006556 [0,1,1,0,0,0|2,0,0]=4 122 B10R1.21 CCCCCC1OCCO1 SBB060997 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.21 CCCCNC1CCCC1 SBB080103 [1,1,0,0,0,0|1,0,1]=4 124 B10R1.21 CCCNCC1CCCO1 SBB010297 [1,1,0,0,0,0|0,0,1]=3 125 B10R1.66 CC(=O)CCC1CCCO1 SBB017110 [1,1,0,0,0,0|0,0,2]=4 126 B10R1.66 CC(C)NCC1CCCO1 SBB007165 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.66 CC(O)CCC1CCCO1 SBB001585 [1,1,0,0,0,0|0,0,1]=3 128 B12R1.1 CCCCCC1CCC(=O)CC1 SBB059350 [0,1,0,0,0,1|1,0,0]=3 129 B12R1.528 CCCCOC1CCS(=O)(=O)C1 SBB041316 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.18 CC(=O)CN1CCCCC1 SBB046418 [0,0,1,1,0,0|2,0,0]=4 131 B10R1.18 CC(=O)NC1CCCCC1 SBB058211 [0,0,1,1,0,0|2,0,0]=4 132 B10R1.18 CC(=O)OC1CCCCC1 SBB060309 [0,0,1,1,0,0|2,0,0]=4 133 B10R1.18 NC(=O)NC1CCCCC1 SBB028268 [0,0,1,1,0,0|2,0,0]=4 134 B10R1.18 O=C(Cl)CC1CCOCC1 SBB053661 [0,0,1,1,0,0|2,0,0]=4 135 B10R1.18 O=C(O)CC1=CCCCC1 SBB008386 [0,0,1,1,0,0|0,0,2]=4 136 B10R1.18 O=C(O)CC1CCCCC1 SBB058720 [0,0,1,1,0,0|0,0,0]=2 137 B10R1.18 O=C(O)CC1CCCCN1 SBB010294 [0,0,1,1,0,0|1,0,0]=3 138 B10R1.18 O=C(O)CC1CCCCO1 SBB002787 [0,0,1,1,0,0|1,0,0]=3 139 B10R1.18 O=C(O)CC1CCCOC1 SBB027192 [0,0,1,1,0,0|1,0,0]=3 140 B10R1.18 O=C(O)CC1CNCCN1 SBB053343 [0,0,1,1,0,0|2,0,0]=4 141 B10R1.18 O=C(O)CC1CNCCO1 SBB050892 [0,0,1,1,0,0|2,0,0]=4 142 B10R1.18 O=C(O)CN1CCCCC1 SBB014040 [0,0,1,1,0,0|1,0,0]=3 143 B10R1.18 O=C(O)CN1CCNCC1 SBB010118 [0,0,1,1,0,0|2,0,0]=4 144 B10R1.18 O=C(O)CN1CCOCC1 SBB010303 [0,0,1,1,0,0|2,0,0]=4 145 B10R1.39 CCN1CCCC1C(=O)O SBB046601 [0,0,1,1,0,0|1,0,0]=3 146 B10R1.61 CN1CCCCC1C(=O)O SBB018690 [0,0,1,1,0,0|1,0,0]=3 147 B10R1.78 O=C1CCCCCCCN1 SBB058438 [0,0,1,1,0,0|1,0,0]=3 148 B10R1.348 O=C(O)C1CCCCCC1 SBB008467 [0,0,1,1,0,0|0,0,0]=2 149 B10R1.1 CN1CCC(CC=O)CC1 SBB052338 [0,0,1,1,0,0|2,0,0]=4 150 B10R1.15 COC(=O)C1CCCCC1 SBB008423 [0,0,1,1,0,0|2,0,0]=4 151 B10R1.15 O=C(CBr)N1CCCCC1 SBB051006 [0,0,1,1,0,0|2,0,0]=4 152 B10R1.15 O=C(CCl)N1CCCCC1 SBB072651 [0,0,1,1,0,0|2,0,0]=4 153 B10R2.7 [C@H]12CCCC[C@H]1CNC2 SBB014742 [1,0,0,1,0,0|2,0,0]=4 154 B10R2.483 C1CCC2(C1)OCCO2 SBB060849 [1,0,0,1,0,0|1,0,1]=4 155 B12R2.1081 O=C1CCCC2CCCCC12 SBB061657 [0,0,0,1,0,1|1,0,0]=3 156 B12R2.1081 [C@@H]12CCCC[C@H]1C(=O)CCN2 SBB001866 [0,0,0,1,0,1|1,0,0]=3 157 B12R2.6 O=C1C=C(N2CCCC2)CC1 SBB051552 [0,1,0,1,0,0|1,0,1]=4 158 B12R2.2918 O=C1CC2(CCCCC2)CN1 SBB051418 [0,1,0,1,0,0|2,0,0]=4 159 B12R2.2918 O=C1CSC2(CCCCC2)N1 SBB088536 [0,1,0,1,0,0|2,0,0]=4 160 B12R2.219 CC12CCC(=O)N1CCCN2 SBB028130 [0,1,0,1,0,0|2,0,0]=4 161 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,0,1,0,1,0|1,0,1]=4 162 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [0,0,1,0,1,0|2,0,0]=4 163 B8R0.8 CCCCC(C)C(=O)O SBB072714 [0,0,1,0,1,0|1,0,0]=3 164 B8R0.8 CCCCC(N)C(C)=O SBB014561 [0,0,1,0,1,0|1,0,0]=3 165 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [0,0,1,0,1,0|2,0,0]=4 166 B8R0.8 OC(=O)C(C)CCCCl SBB004068 [0,0,1,0,1,0|2,0,0]=4