0 B10R1.18 CC(=O)CN1CCCCC1 SBB046418 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(=O)CN1CCOCC1 SBB046376 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.18 CC(=O)NC1CCCCC1 SBB058211 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 CC(=O)NC1CCCNC1 SBB047941 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.18 CC(=O)OC1CCCCC1 SBB060309 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 CC(C)NC1CCCCC1 SBB048030 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.18 CC(N)CN1CCCCC1 SBB020278 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.18 CC(O)CN1CCCCC1 SBB056526 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.18 CC(O)CN1CCOCC1 SBB056514 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.18 CN(C)CC1CCCNC1 SBB085432 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.18 NC(=O)CN1CCOCC1 SBB086344 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.18 NC(=O)NC1CCCCC1 SBB028268 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.18 NC(=S)NC1CCCCC1 SBB017662 [0,0,0,0,0,0|2,1,0]=3 13 B10R1.18 O=C(Cl)CC1CCOCC1 SBB053661 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.18 O=C(O)CC1=CCCCC1 SBB008386 [0,0,0,0,0,0|0,0,2]=2 15 B10R1.18 O=C(O)CC1CCCCC1 SBB058720 [0,0,0,0,0,0|0,0,0]=0 16 B10R1.18 O=C(O)CC1CCCCN1 SBB010294 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.18 O=C(O)CC1CCCCO1 SBB002787 [0,0,0,0,0,0|1,0,0]=1 18 B10R1.18 O=C(O)CC1CCCOC1 SBB027192 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.18 O=C(O)CC1CNCCN1 SBB053343 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.18 O=C(O)CC1CNCCO1 SBB050892 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.18 O=C(O)CN1CCCCC1 SBB014040 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.18 O=C(O)CN1CCNCC1 SBB010118 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.18 O=C(O)CN1CCOCC1 SBB010303 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.8 BrCCC1CCCCN1 SBB018737 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 C(=O)NC1CCCCC1 SBB007682 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.8 C=CCN1CCNCC1 SBB010066 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.8 CCCC1CCCCN1 SBB017578 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 CCCC1CCCCN1 SBB050937 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.8 CCCN1CCCCC1 SBB061042 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.8 COCC1CCCNC1 SBB050890 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.8 ClCCN1CCCCC1 SBB056102 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 N#CCC1CCCCO1 SBB071717 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 N#CCC1CCCOC1 SBB027169 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 N#CCN1CCCCC1 SBB017050 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 NCCC1CCCCC1 SBB051424 [1,0,0,0,0,0|1,0,1]=3 36 B9R1.8 NCCC1CCCCO1 SBB072556 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 NCCC1CCCOC1 SBB050548 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 NCCN1CCCCC1 SBB058602 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 O=C=NC1CCCCC1 SBB060893 [1,0,0,0,0,0|1,0,1]=3 40 B9R1.8 OCCC1CCCCN1 SBB027305 [1,0,0,0,0,0|1,0,1]=3 41 B9R1.8 OCCC1CCNCC1 SBB027320 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.8 OCCN1CCCCC1 SBB040888 [1,0,0,0,0,0|1,0,1]=3 43 B9R1.8 OCCN1CCNCC1 SBB004225 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.8 OCCN1CCOCC1 SBB004221 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 S=C=NC1CCCCC1 SBB014110 [1,0,0,0,0,0|1,1,1]=4 46 B11R1.20 CC(=O)CN1CCN(C)CC1 SBB046419 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.20 CC(=O)NC1CCC(=O)CC1 SBB062705 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.20 CC1CCN(CC(=O)O)CC1 SBB010388 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.20 CN1CCN(CC(=O)O)CC1 SBB039917 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.20 NC1CCN(CC(=O)O)CC1 SBB014698 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.20 O=C(O)CN1CCC(=O)CC1 SBB010385 [0,1,0,0,0,0|1,0,1]=3 52 B11R1.36 CC(C(=O)O)N1CCCCC1 SBB045912 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.36 CC(C(=O)O)N1CCOCC1 SBB028124 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 SBB067146 [0,1,0,0,0,0|0,0,0]=1 55 B11R1.36 O=C(O)[C@@H](O)C1CCCCC1 SBB058636 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.40 C=C(C#N)CN1CCCCC1 SBB086743 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.40 C=CC(=O)NC1CCCCC1 SBB056517 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.40 CNC(C)CC1CCCCC1 SBB050337 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.40 COC(=O)CC1CCNCC1 SBB018691 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.40 COC(=O)CC1CNCCN1 SBB054016 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.40 COC(=O)CC1CNCCO1 SBB054018 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.40 C\C(CN1CCCCC1)=N/O SBB020250 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.40 C\C(CN1CCOCC1)=N/O SBB020246 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.40 NC(CO)CC1CCCCC1 SBB057172 [0,1,0,0,0,0|1,0,1]=3 65 B11R1.40 NNC(=O)CC1CCNCC1 SBB046472 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.40 NNC(=O)CN1CCCCC1 SBB072021 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.40 NNC(=O)CN1CCOCC1 SBB051048 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.40 NNC(=O)NC1CCCCC1 SBB072937 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.40 NNC(=S)NC1CCCCC1 SBB017690 [0,1,0,0,0,0|2,1,0]=4 70 B11R1.40 N\C(CN1CCCCC1)=N\O SBB028329 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.40 O=C(CBr)NC1CCCCC1 SBB080041 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.40 O=C(CCl)NC1CCCCC1 SBB017388 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.86 CC(=O)CN1CCCCC1C SBB046421 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.86 CC(=O)NC1CCCC[C@H]1Cl SBB056532 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.86 CC1CCCCN1CC(=O)O SBB046596 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.86 CN1CCCCC1CC(=O)O SBB010391 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.86 O=C(O)CC1NCCNC1=O SBB053345 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.157 CC(=O)CN1CCCC(C)C1 SBB046420 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.157 CC1CCCN(CC(=O)O)C1 SBB010390 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.157 O=C(O)CN1CCOC(=O)C1 SBB002793 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.509 O=S(=O)(Cl)CC1CCCCC1 SBB092083 [0,1,0,0,0,0|1,0,1]=3 82 B11R1.928 O=C(O)CC1(O)CCCCC1 SBB300165 [0,1,0,0,0,0|0,0,0]=1 83 B11R1.928 O=[N+]([O-])CC1(O)CCCCC1 SBB007771 [0,1,0,0,0,0|1,0,1]=3 84 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [0,0,1,0,0,0|1,0,0]=2 85 B9R0.2 CCCCCCCC(=O)O SBB060020 [0,0,1,0,0,0|0,0,0]=1 86 B9R0.2 CCCCCCCC(C)=O SBB061540 [0,0,1,0,0,0|1,0,0]=2 87 B9R0.2 CCCCCCCC(C)O SBB008521 [0,0,1,0,0,0|1,0,1]=3 88 B9R0.2 CCCCCCCC(N)=O SBB061055 [0,0,1,0,0,0|1,0,0]=2 89 B9R0.2 CCCCCCCN(C)C SBB061364 [0,0,1,0,0,0|3,0,0]=4 90 B9R0.2 CCCCCCNC(N)=S SBB028342 [0,0,1,0,0,0|2,1,0]=4 91 B9R0.2 CCCCCCOC(C)=O SBB060306 [0,0,1,0,0,0|2,0,0]=3 92 B9R0.2 CCCCSCCC(=O)O SBB001705 [0,0,1,0,0,0|1,0,0]=2 93 B9R0.2 COCCNCCC(N)=O SBB116772 [0,0,1,0,0,0|3,0,0]=4 94 B9R0.2 NCCCCCCC(=O)O SBB072673 [0,0,1,0,0,0|1,0,0]=2 95 B9R0.2 O=C(O)CCCCCCO SBB059715 [0,0,1,0,0,0|1,0,0]=2 96 B9R0.2 [NH2+]=C(N)SCCCCCC SBB060417 [0,0,1,0,0,0|3,0,0]=4 97 B9R0.4 COCCN(C)CC(=O)O SBB046598 [0,0,1,0,0,0|2,0,0]=3 98 B9R0.14 CCCC(CC)OC(C)=O SBB060029 [0,0,1,0,0,0|2,0,0]=3 99 B11R2.10 O=C1OC2CCCCC2O1 SBB002057 [0,0,0,1,0,0|1,0,0]=2 100 B11R2.10 S=C1NC2CCCCC2N1 SBB048778 [0,0,0,1,0,0|2,1,0]=4 101 B11R2.1852 O=C(O)C1C2CCCCC21 SBB010153 [0,0,0,1,0,0|0,0,0]=1 102 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [0,0,0,0,1,0|2,0,0]=3 103 B9R1.6 CC(=O)N1CCNCC1 SBB027339 [0,0,0,0,1,0|3,0,0]=4 104 B9R1.6 CC(C)C1CCCCC1 SBB061161 [0,0,0,0,1,0|2,0,1]=4 105 B9R1.6 CN(C)C1CCCCC1 SBB060234 [0,0,0,0,1,0|3,0,0]=4 106 B9R1.6 C[C@@H](N)C1CCCCC1 SBB028230 [0,0,0,0,1,0|2,0,1]=4 107 B9R1.6 N=C(N)N1CCCCC1 SBB056068 [0,0,0,0,1,0|3,0,0]=4 108 B9R1.6 N=C(N)N1CCCCC1 SBB056091 [0,0,0,0,1,0|3,0,0]=4 109 B9R1.6 NC(=O)C1CC=CCC1 SBB056263 [0,0,0,0,1,0|1,0,2]=4 110 B9R1.6 NC(=O)C1CCCCC1 SBB008414 [0,0,0,0,1,0|1,0,0]=2 111 B9R1.6 NC(=O)C1CCCCN1 SBB085724 [0,0,0,0,1,0|2,0,0]=3 112 B9R1.6 NC(=O)C1CCCNC1 SBB004239 [0,0,0,0,1,0|2,0,0]=3 113 B9R1.6 NC(=O)C1CCCOC1 SBB047762 [0,0,0,0,1,0|2,0,0]=3 114 B9R1.6 NC(=O)C1CCNCC1 SBB004237 [0,0,0,0,1,0|2,0,0]=3 115 B9R1.6 NC(=O)C1CCOCC1 SBB055946 [0,0,0,0,1,0|2,0,0]=3 116 B9R1.6 NC(=O)C1CNCCN1 SBB056122 [0,0,0,0,1,0|3,0,0]=4 117 B9R1.6 NC(=O)N1CCNCC1 SBB010258 [0,0,0,0,1,0|3,0,0]=4 118 B9R1.6 NC(=O)N1CCNCC1 SBB087950 [0,0,0,0,1,0|3,0,0]=4 119 B9R1.6 NC(=S)N1CCCCC1 SBB028272 [0,0,0,0,1,0|2,1,0]=4 120 B9R1.6 O=C(Cl)C1CC=CCC1 SBB053674 [0,0,0,0,1,0|1,0,2]=4 121 B9R1.6 O=C(Cl)C1CCCCC1 SBB040626 [0,0,0,0,1,0|1,0,0]=2 122 B9R1.6 O=C(Cl)C1CCOCC1 SBB062712 [0,0,0,0,1,0|2,0,0]=3 123 B9R1.6 O=C(Cl)N1CCOCC1 SBB061723 [0,0,0,0,1,0|3,0,0]=4 124 B9R1.6 O=C(O)C1CCCCC1 SBB008550 [0,0,0,0,1,0|0,0,0]=1 125 B9R1.6 O=C(O)C1CCCCO1 SBB027215 [0,0,0,0,1,0|1,0,0]=2 126 B9R1.6 O=C(O)C1CCCNC1 SBB027313 [0,0,0,0,1,0|1,0,0]=2 127 B9R1.6 O=C(O)C1CCCOC1 SBB014997 [0,0,0,0,1,0|1,0,0]=2 128 B9R1.6 O=C(O)C1CCNCC1 SBB003906 [0,0,0,0,1,0|1,0,0]=2 129 B9R1.6 O=C(O)C1CCNCC1 SBB004231 [0,0,0,0,1,0|1,0,0]=2 130 B9R1.6 O=C(O)C1CCOCC1 SBB027643 [0,0,0,0,1,0|1,0,0]=2 131 B9R1.6 O=C(O)C1CCSCC1 SBB053436 [0,0,0,0,1,0|1,0,0]=2 132 B9R1.6 O=C(O)C1CCSCN1 SBB014841 [0,0,0,0,1,0|2,0,0]=3 133 B9R1.6 O=C(O)C1CNCCO1 SBB053358 [0,0,0,0,1,0|2,0,0]=3 134 B9R1.6 O=C(O)C1CNCCS1 SBB053351 [0,0,0,0,1,0|2,0,0]=3 135 B9R1.6 O=C(O)C1CSCCN1 SBB053350 [0,0,0,0,1,0|2,0,0]=3 136 B9R1.6 O=C(O)[C@@H]1CCCCN1 SBB006732 [0,0,0,0,1,0|1,0,0]=2 137 B9R1.6 OB(O)C1CCCCC1 SBB052596 [0,0,0,0,1,0|1,0,1]=3 138 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [0,0,0,0,1,0|0,0,2]=3 139 B9R1.6 OC(=O)C1CC=CCC1 SBB006583 [0,0,0,0,1,0|0,0,2]=3 140 B9R1.6 OC(=O)C1CNCCN1 SBB004226 [0,0,0,0,1,0|2,0,0]=3 141 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [0,0,0,0,1,0|1,0,0]=2 142 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [0,0,0,0,1,0|2,0,0]=3 143 B9R1.13 CC(O)CN1CCCC1 SBB056722 [0,0,0,0,1,0|2,0,1]=4 144 B9R1.13 O=C(Cl)CC1CCCC1 SBB116687 [0,0,0,0,1,0|1,0,0]=2 145 B9R1.13 O=C(Cl)OC1CCCC1 SBB056243 [0,0,0,0,1,0|2,0,0]=3 146 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [0,0,0,0,1,0|0,0,0]=1 147 B9R1.13 O=C(O)CC1CCCO1 SBB002788 [0,0,0,0,1,0|1,0,0]=2 148 B9R1.13 O=C(O)CN1CCCC1 SBB017909 [0,0,0,0,1,0|1,0,0]=2 149 B9R1.13 O=C(O)C[C@@H]1CCCN1 SBB066746 [0,0,0,0,1,0|1,0,0]=2 150 B11R1.91 CC(=O)NCC1CCNCC1 SBB047898 [0,0,0,0,0,1|2,0,0]=3 151 B11R1.91 FC(F)CNC1CCCCC1 SBB046630 [0,0,0,0,0,1|2,0,1]=4 152 B11R1.91 NC(=O)CCN1CCNCC1 SBB014724 [0,0,0,0,0,1|3,0,0]=4 153 B11R1.91 NC(=O)NN=C1CCCCC1 SBB087080 [0,0,0,0,0,1|2,0,1]=4 154 B11R1.91 NC(=S)CCN1CCCCC1 SBB024089 [0,0,0,0,0,1|2,1,0]=4 155 B11R1.91 O=C(Cl)CCC1CCCCC1 SBB005478 [0,0,0,0,0,1|1,0,0]=2 156 B11R1.91 O=C(O)CCC1CCCCN1 SBB018825 [0,0,0,0,0,1|1,0,0]=2 157 B11R1.91 O=C(O)CCC1CCCNC1 SBB014718 [0,0,0,0,0,1|1,0,0]=2 158 B11R1.91 O=C(O)CCN1CCNCC1 SBB010190 [0,0,0,0,0,1|2,0,0]=3 159 B11R1.91 O=C(O)CCN1CCOCC1 SBB010411 [0,0,0,0,0,1|2,0,0]=3 160 B11R1.91 O=C(O)CCN1CCOCC1 SBB091930 [0,0,0,0,0,1|2,0,0]=3 161 B11R1.91 O=C(O)CSC1=NCCCN1 SBB010568 [0,0,0,0,0,1|2,0,1]=4 162 B11R1.91 O=C(O)\C=C\C1CC=CCC1 SBB076267 [0,0,0,0,0,1|0,0,3]=4 163 B11R1.742 CC(O)CN1CCCCCC1 SBB056515 [0,0,0,0,0,1|2,0,1]=4 164 B11R1.742 O=C(O)CN1CCCCCC1 SBB010389 [0,0,0,0,0,1|1,0,0]=2 165 B8R0.4 C=CCCCCCCC SBB060474 [1,0,1,0,0,0|1,0,0]=3 166 B8R0.4 CCCCCCCC#N SBB060053 [1,0,1,0,0,0|1,0,1]=4 167 B8R0.4 CCCCCCCC=O SBB059871 [1,0,1,0,0,0|0,0,0]=2 168 B8R0.4 CCCCCCCCBr SBB059937 [1,0,1,0,0,0|1,0,1]=4 169 B8R0.4 CCCCCCCCCl SBB059955 [1,0,1,0,0,0|1,0,1]=4 170 B8R0.4 CCCCCCCCN SBB059986 [1,0,1,0,0,0|1,0,1]=4 171 B8R0.4 CCCCCCCCO SBB059902 [1,0,1,0,0,0|0,0,1]=3 172 B8R0.4 CCCCCCCNC SBB059820 [1,0,1,0,0,0|2,0,0]=4 173 B8R0.4 CCCCCCN=C=O SBB058614 [1,0,1,0,0,0|1,0,1]=4 174 B8R0.4 CCCCCCNC=O SBB061175 [1,0,1,0,0,0|1,0,0]=3 175 B8R0.4 CCCCCCOC=O SBB060302 [1,0,1,0,0,0|1,0,0]=3 176 B8R0.4 CCCCCNCCO SBB059826 [1,0,1,0,0,0|1,0,1]=4 177 B8R0.4 CCCCC\C=C\C=O SBB068337 [1,0,1,0,0,0|0,0,2]=4 178 B8R0.4 OCCCCCCCBr SBB061558 [1,0,1,0,0,0|1,0,1]=4 179 B8R0.7 C#CCCCCC(=O)O SBB008797 [1,0,1,0,0,0|0,0,2]=4 180 B8R0.7 CCCCCCC(=O)Cl SBB060012 [1,0,1,0,0,0|1,0,0]=3 181 B8R0.7 CCCCCCC(=O)O SBB053587 [1,0,1,0,0,0|0,0,0]=2 182 B8R0.7 CCCCCCC(C)=O SBB060387 [1,0,1,0,0,0|1,0,0]=3 183 B8R0.7 CCCCCCC(C)O SBB059903 [1,0,1,0,0,0|1,0,1]=4 184 B8R0.7 CCCCCOC(C)=O SBB060027 [1,0,1,0,0,0|2,0,0]=4 185 B8R0.7 CCCCSCC(=O)O SBB061205 [1,0,1,0,0,0|1,0,0]=3 186 B8R0.7 CCCNCCC(N)=O SBB116773 [1,0,1,0,0,0|2,0,0]=4 187 B8R0.7 COCCOCC(=O)O SBB008497 [1,0,1,0,0,0|2,0,0]=4 188 B8R0.7 NCCCCCC(=O)O SBB015068 [1,0,1,0,0,0|1,0,0]=3 189 B8R0.7 O=C(O)CCCCCBr SBB065783 [1,0,1,0,0,0|1,0,0]=3 190 B8R0.7 O=C(O)CCNCCO SBB079386 [1,0,1,0,0,0|2,0,0]=4 191 B8R0.5 CCCC(C)CC(=O)O SBB061321 [1,0,1,0,0,0|0,0,0]=2 192 B8R0.16 CCN(CC)CC(=O)O SBB010260 [1,0,1,0,0,0|1,0,0]=3 193 B8R1.2 BrCC1CCCCO1 SBB054944 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.2 BrCC1CCCNC1 SBB019055 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.2 BrCC1CCOCC1 SBB054945 [2,0,0,0,0,0|2,0,0]=4 196 B8R1.2 C(=O)N1CCCCC1 SBB004316 [2,0,0,0,0,0|1,0,0]=3 197 B8R1.2 C(=O)N1CCNCC1 SBB027307 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.2 C(=O)N1CCOCC1 SBB007670 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.2 CCC1CCCCC1 SBB061162 [2,0,0,0,0,0|0,0,1]=3 200 B8R1.2 CCC1CCNCC1 SBB046379 [2,0,0,0,0,0|1,0,1]=4 201 B8R1.2 CCN1CCCCC1 SBB061409 [2,0,0,0,0,0|1,0,1]=4 202 B8R1.2 ClCC1CCCCO1 SBB040653 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.2 N#CC1CCCCC1 SBB008404 [2,0,0,0,0,0|1,0,1]=4 204 B8R1.2 N(C)C1CCCCC1 SBB004314 [2,0,0,0,0,0|1,0,1]=4 205 B8R1.2 N1CCCCC1CC SBB004312 [2,0,0,0,0,0|1,0,1]=4 206 B8R1.2 NCC1CCCCC1 SBB028193 [2,0,0,0,0,0|1,0,0]=3 207 B8R1.2 NCC1CCCCN1 SBB069774 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.2 NCC1CCCCO1 SBB085471 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.2 NCC1CCCOC1 SBB013821 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.2 NCC1CCNCC1 SBB004305 [2,0,0,0,0,0|2,0,0]=4 211 B8R1.2 NCC1CCOCC1 SBB014254 [2,0,0,0,0,0|2,0,0]=4 212 B8R1.2 O=CC1CC=CCC1 SBB068360 [2,0,0,0,0,0|0,0,2]=4 213 B8R1.2 O=CC1CCNCC1 SBB052337 [2,0,0,0,0,0|1,0,0]=3 214 B8R1.2 O=CC1CCOCC1 SBB052321 [2,0,0,0,0,0|1,0,0]=3 215 B8R1.2 OCC1CC=CCC1 SBB054865 [2,0,0,0,0,0|0,0,2]=4 216 B8R1.2 OCC1CCCCC1 SBB061328 [2,0,0,0,0,0|0,0,0]=2 217 B8R1.2 OCC1CCCCN1 SBB058544 [2,0,0,0,0,0|1,0,0]=3 218 B8R1.2 OCC1CCCCO1 SBB008943 [2,0,0,0,0,0|1,0,0]=3 219 B8R1.2 OCC1CCCOC1 SBB014200 [2,0,0,0,0,0|1,0,0]=3 220 B8R1.2 OCC1CCNCC1 SBB054833 [2,0,0,0,0,0|1,0,0]=3 221 B8R1.2 ON=C1CCCCC1 SBB058381 [2,0,0,0,0,0|1,0,1]=4 222 B10R0.3 CCCC(S)CCOC(C)=O SBB056433 [0,1,1,0,0,0|2,0,0]=4 223 B10R0.4 CCCCCCCCB(O)O SBB071319 [0,1,1,0,0,0|1,0,1]=4 224 B10R0.4 CCCCCCCCC(=O)Cl SBB060014 [0,1,1,0,0,0|1,0,0]=3 225 B10R0.4 CCCCCCCCC(=O)O SBB058693 [0,1,1,0,0,0|0,0,0]=2 226 B10R0.4 CCCCCCCCC(N)=O SBB061053 [0,1,1,0,0,0|1,0,0]=3 227 B10R0.4 CCCCCCCNC(N)=S SBB017692 [0,1,1,0,0,0|1,1,0]=4 228 B10R0.4 CCCCCCCOC(C)=O SBB060307 [0,1,1,0,0,0|1,0,0]=3 229 B10R0.4 CCCCCCNCC(C)O SBB059797 [0,1,1,0,0,0|1,0,1]=4 230 B10R0.4 CCCCOCCOC(C)=O SBB061001 [0,1,1,0,0,0|2,0,0]=4 231 B10R0.4 OC(=O)CCCCCCCN SBB006735 [0,1,1,0,0,0|0,0,0]=2 232 B10R0.4 [NH2+]=C(N)SCCCCCCC SBB056871 [0,1,1,0,0,0|2,0,0]=4 233 B10R0.22 CCCCCCCP(=O)(O)O SBB057478 [0,1,1,0,0,0|1,0,0]=3 234 B10R0.55 COC(=O)CCCCC(=O)O SBB065981 [0,1,1,0,0,0|1,0,1]=4 235 B10R0.74 CCCCCC#CC(=O)OC SBB009081 [0,1,1,0,0,0|0,0,2]=4 236 B10R0.74 CCCCCCCC(=O)NN SBB056838 [0,1,1,0,0,0|1,0,0]=3 237 B10R0.74 CCCCCCCC(=O)OC SBB060592 [0,1,1,0,0,0|0,0,0]=2 238 B10R0.74 CCCCCCCC(C)C=O SBB061221 [0,1,1,0,0,0|1,0,1]=4 239 B10R0.74 CCCCCCNC(=O)CCl SBB017392 [0,1,1,0,0,0|2,0,0]=4 240 B10R0.74 CCCCCCOC(=O)CCl SBB061569 [0,1,1,0,0,0|2,0,0]=4 241 B10R0.74 CCCCCCOC(=O)CS SBB061229 [0,1,1,0,0,0|1,1,0]=4 242 B10R0.75 CCCCCCC(N)C(=O)O SBB058628 [0,1,1,0,0,0|0,0,0]=2 243 B10R0.78 CCCCC(C)CCC(=O)O SBB065822 [0,1,1,0,0,0|0,0,0]=2 244 B10R0.97 O=C(O)CCCCCC(=O)O SBB007898 [0,1,1,0,0,0|1,0,1]=4 245 B10R0.79 O=C(O)CN(CCO)CCO SBB057746 [0,1,1,0,0,0|2,0,0]=4 246 B10R1.1 CCCC1CCC(O)CC1 SBB055278 [1,1,0,0,0,0|1,0,1]=4 247 B10R1.1 CN1CCC(CC=O)CC1 SBB052338 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.4 C=CCC1CCCCC1=O SBB006544 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.15 CCC(C)C1CCCCC1 SBB061319 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.15 N\C(=N\O)C1CCCCC1 SBB079156 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.17 C#CCNC1CCCCC1 SBB010271 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.17 N(CC=C)C1CCCCC1 SBB004174 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.17 OCCCC1CCCCC1 SBB058808 [1,1,0,0,0,0|0,0,1]=3 254 B10R1.17 OCCCN1CCCCC1 SBB072687 [1,1,0,0,0,0|1,0,1]=4 255 B10R1.17 OCCNC1CCCCC1 SBB007725 [1,1,0,0,0,0|0,0,1]=3 256 B10R1.377 C=CCC1(O)CCCCC1 SBB051433 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.377 NCCC1(O)CCCCC1 SBB303067 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.13 CC1CCC(C(=O)O)CC1 SBB065950 [0,1,0,0,1,0|0,0,0]=2 259 B10R1.13 CN1CCC(C(=O)O)CC1 SBB025225 [0,1,0,0,1,0|1,0,0]=3 260 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SBB028269 [0,1,0,0,1,0|0,0,0]=2 261 B10R1.13 O=C(O)C1CCC(O)CC1 SBB007787 [0,1,0,0,1,0|0,0,0]=2 262 B10R1.13 O=C1CCC(C(=O)O)CC1 SBB053428 [0,1,0,0,1,0|0,0,1]=3 263 B10R1.28 O=S(=O)(Cl)C1CCCCC1 SBB027257 [0,1,0,0,1,0|1,0,1]=4 264 B10R1.61 CC(=O)C1CCCCC1=O SBB056190 [0,1,0,0,1,0|1,0,1]=4 265 B10R1.61 CN1CCCCC1C(=O)O SBB018690 [0,1,0,0,1,0|1,0,0]=3 266 B10R1.61 O=C(O)C1CCCNC1=O SBB108817 [0,1,0,0,1,0|1,0,1]=4 267 B10R1.113 CC1CCCC(C(=O)O)N1 SBB080591 [0,1,0,0,1,0|1,0,0]=3 268 B10R1.113 CN1CCCC(C(=O)O)C1 SBB003754 [0,1,0,0,1,0|1,0,0]=3 269 B10R1.113 CN1CCCC(C(=O)O)C1 SBB085537 [0,1,0,0,1,0|1,0,0]=3 270 B10R1.363 CC(=O)C1(N)CCCCC1 SBB013031 [0,1,0,0,1,0|1,0,0]=3 271 B10R1.363 CC1(C(=O)O)CCCCC1 SBB053456 [0,1,0,0,1,0|0,0,0]=2 272 B10R1.363 CC1(C(=O)O)COCOC1 SBB010037 [0,1,0,0,1,0|2,0,0]=4 273 B10R1.363 NC1(C(=O)O)CCCCC1 SBB003752 [0,1,0,0,1,0|0,0,0]=2 274 B10R1.363 NC1(C(=O)O)CCCCC1 SBB028270 [0,1,0,0,1,0|0,0,0]=2 275 B10R1.363 NC1(C(=O)O)CCOCC1 SBB027210 [0,1,0,0,1,0|1,0,0]=3 276 B10R1.363 O=C(O)C1(F)CCCCC1 SBB053441 [0,1,0,0,1,0|0,0,0]=2 277 B10R1.363 O=C(O)C1(O)CCCCC1 SBB047861 [0,1,0,0,1,0|0,0,0]=2 278 B10R1.27 COC(=O)CC1CCCO1 SBB014349 [0,1,0,0,1,0|1,0,0]=3 279 B10R1.27 O=C(CBr)NC1CCCC1 SBB080105 [0,1,0,0,1,0|2,0,0]=4 280 B10R1.27 O=C(CCl)NC1CCCC1 SBB042522 [0,1,0,0,1,0|2,0,0]=4 281 B10R1.27 O=C(CCl)OC1CCCC1 SBB060738 [0,1,0,0,1,0|2,0,0]=4 282 B10R1.64 O=C(O)CN1CCCC1=O SBB010292 [0,1,0,0,1,0|1,0,1]=4 283 B12R1.21 CC1CCN(CCC(=O)O)CC1 SBB010527 [0,1,0,0,0,1|1,0,0]=3 284 B12R1.21 CN1CCC(NCC(=O)O)CC1 SBB010544 [0,1,0,0,0,1|1,0,0]=3 285 B12R1.21 CN1CCN(CCC(=O)O)CC1 SBB010546 [0,1,0,0,0,1|2,0,0]=4 286 B12R1.21 CN1CCN(CCC(=O)O)CC1 SBB076293 [0,1,0,0,0,1|2,0,0]=4 287 B12R1.27 COC(=O)CCC1CCCNC1 SBB018703 [0,1,0,0,0,1|1,0,0]=3 288 B12R1.27 COC(=O)CCN1CCCCC1 SBB046508 [0,1,0,0,0,1|1,0,0]=3 289 B12R1.27 COC(=O)CCN1CCOCC1 SBB047869 [0,1,0,0,0,1|2,0,0]=4 290 B12R1.27 NCC(O)COC1CCCCC1 SBB042048 [0,1,0,0,0,1|1,0,1]=4 291 B12R1.27 NNC(=O)CCN1CCCCC1 SBB017407 [0,1,0,0,0,1|2,0,0]=4 292 B12R1.43 CC(CN1CCOCC1)C(=O)O SBB010554 [0,1,0,0,0,1|2,0,0]=4 293 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O SBB068690 [0,1,0,0,0,1|0,0,0]=2 294 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O SBB065823 [0,1,0,0,0,1|0,0,0]=2 295 B12R1.107 CC(CC(=O)O)N1CCOCC1 SBB046529 [0,1,0,0,0,1|2,0,0]=4 296 B12R1.125 CC1CCCCN1CCC(=O)O SBB010526 [0,1,0,0,0,1|1,0,0]=3 297 B12R1.125 O=C(O)CCC1CCCCC1=O SBB010511 [0,1,0,0,0,1|0,0,1]=3 298 B12R1.226 CC(O)CNC1CCCC(C)C1 SBB017969 [0,1,0,0,0,1|1,0,1]=4 299 B12R1.226 CC1CCCN(CCC(=O)O)C1 SBB010524 [0,1,0,0,0,1|1,0,0]=3 300 B12R1.3110 O=C(O)C#CC1(O)CCCCC1 SBB013587 [0,1,0,0,0,1|0,0,1]=3 301 B12R1.210 O=C(O)CN1CCCCCC1=O SBB045206 [0,1,0,0,0,1|1,0,0]=3 302 B12R1.1748 O=C(CCl)NC1CCCCCC1 SBB042523 [0,1,0,0,0,1|2,0,0]=4 303 B12R1.2197 CC(C(=O)O)N1CCCCCC1 SBB050883 [0,1,0,0,0,1|1,0,0]=3 304 B12R1.4 CCN1CCC(CC(=O)O)CC1 SBB050015 [0,2,0,0,0,0|1,0,0]=3 305 B12R1.34 C\C(=N/O)C(=O)C1CCCCC1 SBB057472 [0,2,0,0,0,0|1,0,1]=4 306 B12R1.225 CC1CCCN(C(C)C(=O)O)C1 SBB046584 [0,2,0,0,0,0|1,0,0]=3 307 B12R1.478 CCC(C(=O)O)N1CCCCC1 SBB301362 [0,2,0,0,0,0|1,0,0]=3 308 B12R1.478 CCC(C(=O)O)N1CCNCC1 SBB013660 [0,2,0,0,0,0|2,0,0]=4 309 B12R1.478 CCC(C(=O)O)N1CCOCC1 SBB051035 [0,2,0,0,0,0|2,0,0]=4 310 B12R1.478 N#CC(C(=O)O)=C1CCCCC1 SBB057946 [0,2,0,0,0,0|0,0,2]=4 311 B12R1.32 CCOC(=O)CC1CCCCO1 SBB014325 [0,2,0,0,0,0|1,0,0]=3 312 B12R1.32 CCOC(=O)CC1CCNCC1 SBB062746 [0,2,0,0,0,0|1,0,0]=3 313 B12R1.32 CCOC(=O)CN1CCCCC1 SBB057365 [0,2,0,0,0,0|1,0,0]=3 314 B12R1.32 CCOC(=O)CN1CCNCC1 SBB042765 [0,2,0,0,0,0|2,0,0]=4 315 B12R1.32 N#CCC(=O)NC1CCCCC1 SBB046575 [0,2,0,0,0,0|2,0,0]=4 316 B12R1.75 CCC1CCCCN1CC(=O)O SBB111674 [0,2,0,0,0,0|1,0,0]=3 317 B12R1.391 O=C(O)CN1CCCCS1(=O)=O SBB303134 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.1009 CC1CCCC(C)N1CC(=O)O SBB050882 [0,2,0,0,0,0|1,0,0]=3 319 B12R1.101 CC1CC(CC(=O)O)CC(C)O1 SBB053244 [0,2,0,0,0,0|1,0,0]=3 320 B12R1.101 CC1CN(CC(=O)O)CC(C)O1 SBB010555 [0,2,0,0,0,0|2,0,0]=4 321 B12R1.3862 C#CC1(NC(C)=O)CCCCC1 SBB013030 [0,2,0,0,0,0|2,0,0]=4 322 B10R1.39 CCN1CCCC1C(=O)O SBB046601 [0,0,1,1,0,0|1,0,0]=3 323 B10R1.66 CC(=O)CCC1CCCO1 SBB017110 [0,0,1,1,0,0|2,0,0]=4 324 B10R1.66 O=C(Cl)CCC1CCCC1 SBB058619 [0,0,1,1,0,0|1,0,0]=3 325 B10R1.66 O=C(O)CCC1CCCC1 SBB040565 [0,0,1,1,0,0|0,0,0]=2 326 B10R1.66 O=C(O)CCC1CCCO1 SBB014220 [0,0,1,1,0,0|1,0,0]=3 327 B10R1.66 O=C(O)CCN1CCCC1 SBB046363 [0,0,1,1,0,0|1,0,0]=3 328 B10R1.78 O=C1CCCCCCCN1 SBB058438 [0,0,1,1,0,0|1,0,0]=3 329 B10R1.348 O=C(O)C1CCCCCC1 SBB008467 [0,0,1,1,0,0|0,0,0]=2 330 B10R2.7 [C@H]12CCCC[C@H]1CNC2 SBB014742 [1,0,0,1,0,0|2,0,0]=4 331 B10R2.62 O=C1CN2CCC1CC2 SBB056219 [1,0,0,1,0,0|1,0,0]=3 332 B10R2.62 O=C1CN2CCC1CC2 SBB080572 [1,0,0,1,0,0|1,0,0]=3 333 B10R2.409 C1CC2CCC1CNC2 SBB012882 [1,0,0,1,0,0|2,0,0]=4 334 B12R2.1392 O=C(O)C1CN2CCC1CC2 SBB007474 [0,0,0,1,0,1|1,0,0]=3 335 B12R2.2918 CC1COC2(CCCCC2)O1 SBB060949 [0,0,0,1,0,1|1,0,1]=4 336 B12R2.2918 O=C1CC2(CCCCC2)CN1 SBB051418 [0,0,0,1,0,1|1,0,0]=3 337 B12R2.2918 O=C1CSC2(CCCCC2)N1 SBB088536 [0,0,0,1,0,1|1,0,0]=3 338 B12R2.1661 CC(=O)NC1CC2CCC1C2 SBB057102 [0,1,0,1,0,0|2,0,0]=4 339 B12R2.1661 O=C(O)CC1CC2CCC1C2 SBB008500 [0,1,0,1,0,0|0,0,0]=2 340 B12R2.2899 C=C1CC2CC(=O)CC(C1)C2 SBB083983 [0,1,0,1,0,0|1,0,1]=4 341 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [0,0,1,0,1,0|1,0,0]=3 342 B8R0.8 CCCCC(C)C(=O)O SBB072714 [0,0,1,0,1,0|0,0,0]=2 343 B8R0.8 CCCCC(N)C(C)=O SBB014561 [0,0,1,0,1,0|2,0,0]=4 344 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [0,0,1,0,1,0|1,0,0]=3 345 B8R0.8 NCCCC(N)C(=O)O SBB047988 [0,0,1,0,1,0|2,0,0]=4 346 B8R0.8 OC(=O)C(C)CCCCl SBB004068 [0,0,1,0,1,0|1,0,0]=3 347 B8R0.8 OC(=O)[C@@H](CCSC)N SBB006710 [0,0,1,0,1,0|2,0,0]=4 348 B8R0.8 [NH3+]CCCC(N)C(=O)O SBB061681 [0,0,1,0,1,0|2,0,0]=4 349 B8R0.15 CCOC(CC)C(N)=O SBB116764 [0,0,1,0,1,0|2,0,0]=4 350 B8R1.8 C=CCC1CCCC1 SBB008872 [1,0,0,0,1,0|1,0,0]=3 351 B8R1.8 NCCC1CCCC1 SBB072011 [1,0,0,0,1,0|1,0,1]=4 352 B8R1.8 O=C=NC1CCCC1 SBB046723 [1,0,0,0,1,0|1,0,1]=4 353 B8R1.8 OCCC1CCCC1 SBB008459 [1,0,0,0,1,0|0,0,1]=3 354 B8R1.8 OCCN1CCCC1 SBB060257 [1,0,0,0,1,0|1,0,1]=4 355 B8R1.7 N=C(N)C1CCCC1 SBB056275 [0,0,0,0,2,0|2,0,0]=4 356 B8R1.7 NC(=O)C1CCCN1 SBB004067 [0,0,0,0,2,0|2,0,0]=4 357 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [0,0,0,0,2,0|2,0,0]=4 358 B8R1.7 O=C(O)C1CC=CC1 SBB008010 [0,0,0,0,2,0|0,0,2]=4 359 B8R1.7 O=C(O)C1CCCC1 SBB065782 [0,0,0,0,2,0|0,0,0]=2 360 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,0,0,0,2,0|1,0,0]=3 361 B8R1.7 O=C(O)C1CCNC1 SBB053378 [0,0,0,0,2,0|1,0,0]=3 362 B8R1.7 O=C(O)C1CCNC1 SBB069272 [0,0,0,0,2,0|1,0,0]=3 363 B8R1.7 O=C(O)C1CCOC1 SBB053083 [0,0,0,0,2,0|1,0,0]=3 364 B8R1.7 O=C(O)[C@@H]1CSCN1 SBB015063 [0,0,0,0,2,0|2,0,0]=4 365 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,0,0,0,2,0|1,0,0]=3 366 B8R1.7 O=C(O)[C@H]1CCNC1 SBB065825 [0,0,0,0,2,0|1,0,0]=3 367 B8R1.7 OC(=O)C1SCCN1 SBB027340 [0,0,0,0,2,0|2,0,0]=4 368 B8R1.34 O=C(O)CC1CCC1 SBB050298 [0,0,0,0,2,0|0,0,0]=2 369 B10R1.85 OCCN1CCCCCC1 SBB005844 [1,0,0,0,0,1|1,0,1]=4 370 B10R1.85 OCCN1CCCNCC1 SBB056234 [1,0,0,0,0,1|1,0,1]=4 371 B12R1.252 CC(=O)CCC=C1CCCCC1 SBB088034 [0,0,0,0,0,2|1,0,1]=4 372 B12R1.252 CC(=O)NCCC1CCCCN1 SBB013554 [0,0,0,0,0,2|2,0,0]=4 373 B12R1.252 NC(=O)CCNC1CCCCC1 SBB080387 [0,0,0,0,0,2|1,0,0]=3 374 B12R1.252 O=C(O)CCCC1CCCCN1 SBB014750 [0,0,0,0,0,2|1,0,0]=3 375 B12R1.252 O=C(O)CCCC1CCNCC1 SBB003471 [0,0,0,0,0,2|1,0,0]=3 376 B12R1.252 O=C(O)CCCC1CCNCC1 SBB014751 [0,0,0,0,0,2|1,0,0]=3 377 B12R1.252 O=C(O)CCCN1CCOCC1 SBB077225 [0,0,0,0,0,2|2,0,0]=4 378 B12R1.252 O=C([O-])CCCC1CCCCC1 SBB008626 [0,0,0,0,0,2|0,0,1]=3 379 B12R1.1343 O=C(O)CCN1CCCCCC1 SBB010525 [0,0,0,0,0,2|1,0,0]=3 380 B12R1.1343 O=C(O)CNC1CCCCCC1 SBB046505 [0,0,0,0,0,2|0,0,0]=2