0 B11R1.16 CCCC(O)C1CCCCC1 SBB071419 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.16 CCNC(=S)N1CCOCC1 SBB000187 [0,0,0,0,0,0|3,1,0]=4 2 B11R1.16 CCOC(=O)C1CCCNC1 SBB027354 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.16 CCOC(=O)C1CCNCC1 SBB004006 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.16 CCOC(=O)C1CNCCO1 SBB054017 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 SBB054010 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.16 CCOC(=O)[C@H]1CCCNC1 SBB066252 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.16 CN(CCN)C1CCCCC1 SBB017937 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.16 N#CCC(=O)N1CCCCC1 SBB000112 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.16 N1CCN(C(=O)OCC)CC1 SBB003993 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.16 NCCC(=O)N1CCCCC1 SBB302636 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.16 O=C(CCBr)N1CCOCC1 SBB302924 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.15 CCC(C)C1CCCCC1 SBB061319 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.15 CNC(=O)C1CCNCC1 SBB056097 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.15 CNC(=S)N1CCCCC1 SBB003988 [1,0,0,0,0,0|2,1,0]=4 15 B10R1.15 COC(=O)C1=CCCCC1 SBB008621 [1,0,0,0,0,0|0,0,2]=3 16 B10R1.15 COC(=O)C1CC=CCC1 SBB007742 [1,0,0,0,0,0|0,0,2]=3 17 B10R1.15 COC(=O)C1CCCCC1 SBB008423 [1,0,0,0,0,0|0,0,0]=1 18 B10R1.15 COC(=O)C1CCCCN1 SBB079224 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.15 COC(=O)C1CCNCC1 SBB054004 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.15 COC(=O)C1CCNCC1 SBB079418 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.15 NCC(=O)N1CCOCC1 SBB086345 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.15 NNC(=O)C1CCCCC1 SBB000089 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.15 N\C(=N\O)C1CCCCC1 SBB079156 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.15 O=C(CBr)N1CCCCC1 SBB051006 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.15 O=C(CBr)N1CCOCC1 SBB051005 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.15 O=C(CCl)N1CCCCC1 SBB072651 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.15 O=C(CCl)N1CCOCC1 SBB005580 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.17 CCCCN1CCCCC1 SBB061043 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.17 CCCOC1CCNCC1 SBB027294 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.17 OCCCC1CCCCC1 SBB058808 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.17 OCCNC1CCCCC1 SBB007725 [1,0,0,0,0,0|3,0,0]=4 32 B12R1.16 CCCC(=O)N1CCC(=O)CC1 SBB046463 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.16 CCOC(=O)C1CCC(=O)CC1 SBB054032 [0,1,0,0,0,0|0,0,1]=2 34 B12R1.16 CCOC(=O)N1CCC(=O)CC1 SBB057202 [0,1,0,0,0,0|1,0,1]=3 35 B12R1.16 CCOC(=O)N1CCC(N)CC1 SBB003834 [0,1,0,0,0,0|1,0,0]=2 36 B12R1.17 CCOC(=O)C1CCCC(=O)C1 SBB054035 [0,1,0,0,0,0|0,0,1]=2 37 B12R1.17 CCOC(=O)C1CCCN(C)C1 SBB057245 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.30 CCCCC(O)C1CCCCC1 SBB071420 [0,1,0,0,0,0|1,0,2]=4 39 B12R1.30 CCCOC(=O)C1CCCCN1 SBB071701 [0,1,0,0,0,0|1,0,0]=2 40 B12R1.34 C\C(=N/O)C(=O)C1CCCCC1 SBB057472 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.308 CCOC(=O)C1=C(N)CCCC1 SBB072592 [0,1,0,0,0,0|0,0,2]=3 42 B12R1.308 CCOC(=O)C1CCCCC1=O SBB057217 [0,1,0,0,0,0|0,0,1]=2 43 B12R1.308 CCOC(=O)C1CCCNC1=O SBB002124 [0,1,0,0,0,0|1,0,1]=3 44 B12R1.308 CCOC(=O)C1CNCCC1=O SBB003473 [0,1,0,0,0,0|1,0,1]=3 45 B10R0.1 CCCCC#CC(=O)OCC SBB008804 [0,0,1,0,0,0|0,0,2]=3 46 B10R0.1 CCCCCCC(=O)OCC SBB061117 [0,0,1,0,0,0|0,0,0]=1 47 B10R0.1 CCCCCOC(=O)CCC SBB060758 [0,0,1,0,0,0|2,0,0]=3 48 B10R0.1 CCOC(=O)CCCCCBr SBB006556 [0,0,1,0,0,0|1,0,0]=2 49 B10R0.19 CCCCC(Br)C(=O)OCC SBB070817 [0,0,1,0,0,0|1,0,0]=2 50 B10R0.19 CCOC(=O)C(N)CCSC SBB000541 [0,0,1,0,0,0|2,0,0]=3 51 B10R0.19 CCOC(=O)[C@@H](N)CCCN SBB070614 [0,0,1,0,0,0|2,0,0]=3 52 B12R2.2 C1=C(N2CCCCC2)CCC1 SBB059099 [0,0,0,1,0,0|3,0,0]=4 53 B12R2.2 C1CCC(C2CCCN2)CC1 SBB025972 [0,0,0,1,0,0|2,0,1]=4 54 B12R2.1081 O=C1CCCC2CCCCC12 SBB061657 [0,0,0,1,0,0|1,0,0]=2 55 B12R2.1081 [C@@H]12CCCC[C@H]1C(=O)CCN2 SBB001866 [0,0,0,1,0,0|2,0,0]=3 56 B12R2.2028 C12CCCCC1C(=O)OC2=O SBB058760 [0,0,0,1,0,0|1,0,1]=3 57 B12R2.2075 O=C(C1CC1)N2CCNCC2 SBB003645 [0,0,0,1,0,0|3,0,0]=4 58 B10R1.11 CCOC(=O)C1SCCS1 SBB056950 [0,0,0,0,1,0|2,0,0]=3 59 B12R1.32 CCOC(=O)CC1CCCCO1 SBB014325 [0,0,0,0,0,1|1,0,0]=2 60 B12R1.32 CCOC(=O)CC1CCNCC1 SBB062746 [0,0,0,0,0,1|1,0,0]=2 61 B12R1.32 CCOC(=O)CN1CCCCC1 SBB057365 [0,0,0,0,0,1|1,0,0]=2 62 B12R1.32 CCOC(=O)CN1CCNCC1 SBB042765 [0,0,0,0,0,1|2,0,0]=3 63 B12R1.32 N#CCC(=O)NC1CCCCC1 SBB046575 [0,0,0,0,0,1|2,0,1]=4 64 B9R0.5 CCCC#CC(=O)OCC SBB008805 [1,0,1,0,0,0|0,0,2]=4 65 B9R0.5 CCCCCC(=O)CCC SBB005828 [1,0,1,0,0,0|1,0,0]=3 66 B9R0.5 CCCCCC(=O)OCC SBB060316 [1,0,1,0,0,0|0,0,0]=2 67 B9R0.5 CCCCOC(=O)CCC SBB061107 [1,0,1,0,0,0|2,0,0]=4 68 B9R0.5 CCOC(=O)CCCCBr SBB070781 [1,0,1,0,0,0|1,0,0]=3 69 B9R0.45 CCCCNCCOCC SBB056553 [1,0,1,0,0,0|1,0,1]=4 70 B9R0.46 CCCCC#CC(=O)OC SBB009075 [1,0,1,0,0,0|0,0,2]=4 71 B9R0.46 CCCCCCC(=O)CC SBB007744 [1,0,1,0,0,0|0,0,0]=2 72 B9R0.46 CCCCCCC(=O)NN SBB021011 [1,0,1,0,0,0|2,0,0]=4 73 B9R0.46 CCCCCCC(=O)OC SBB060317 [1,0,1,0,0,0|0,0,0]=2 74 B9R0.46 CCCCCNC(=O)CCl SBB017391 [1,0,1,0,0,0|2,0,0]=4 75 B9R0.46 CCCCCOC(=O)CC SBB058817 [1,0,1,0,0,0|1,0,0]=3 76 B9R0.46 CCCCCOC(=O)CCl SBB060707 [1,0,1,0,0,0|2,0,0]=4 77 B9R0.46 CCCCCOC(=O)CS SBB061204 [1,0,1,0,0,0|2,0,0]=4 78 B9R0.46 COC(=O)CCCCCN SBB003739 [1,0,1,0,0,0|1,0,0]=3 79 B9R0.8 COC(=O)C(N)CCCN SBB072642 [1,0,1,0,0,0|2,0,0]=4 80 B9R0.8 COC(=O)C(N)CCSC SBB003548 [1,0,1,0,0,0|2,0,0]=4 81 B9R0.8 N[C@@H](CCSC)C(=O)OC SBB005764 [1,0,1,0,0,0|2,0,0]=4 82 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [1,0,1,0,0,0|2,0,0]=4 83 B9R0.37 CCCC(=O)N(CC)CC SBB008344 [1,0,1,0,0,0|2,0,0]=4 84 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [2,0,0,0,0,0|1,0,0]=3 85 B9R1.6 CC(=O)N1CCNCC1 SBB027339 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.6 CC(C)C1CCCCC1 SBB061161 [2,0,0,0,0,0|1,0,1]=4 87 B9R1.6 CN(C)C1CCCCC1 SBB060234 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.6 C[C@@H](N)C1CCCCC1 SBB028230 [2,0,0,0,0,0|1,0,1]=4 89 B9R1.6 NC(=O)C1CCCCC1 SBB008414 [2,0,0,0,0,0|1,0,0]=3 90 B9R1.6 NC(=O)C1CCCCN1 SBB085724 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.6 NC(=O)C1CCCNC1 SBB004239 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.6 NC(=O)C1CCCOC1 SBB047762 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.6 NC(=O)C1CCNCC1 SBB004237 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.6 NC(=O)C1CCOCC1 SBB055946 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.6 O=C(Cl)C1CCCCC1 SBB040626 [2,0,0,0,0,0|1,0,0]=3 96 B9R1.6 O=C(Cl)C1CCOCC1 SBB062712 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.6 O=C(O)C1CCCCC1 SBB008550 [2,0,0,0,0,0|0,0,0]=2 98 B9R1.6 O=C(O)C1CCCCO1 SBB027215 [2,0,0,0,0,0|1,0,0]=3 99 B9R1.6 O=C(O)C1CCCNC1 SBB027313 [2,0,0,0,0,0|1,0,0]=3 100 B9R1.6 O=C(O)C1CCCOC1 SBB014997 [2,0,0,0,0,0|1,0,0]=3 101 B9R1.6 O=C(O)C1CCNCC1 SBB003906 [2,0,0,0,0,0|1,0,0]=3 102 B9R1.6 O=C(O)C1CCNCC1 SBB004231 [2,0,0,0,0,0|1,0,0]=3 103 B9R1.6 O=C(O)C1CCOCC1 SBB027643 [2,0,0,0,0,0|1,0,0]=3 104 B9R1.6 O=C(O)C1CCSCC1 SBB053436 [2,0,0,0,0,0|1,0,0]=3 105 B9R1.6 O=C(O)C1CCSCN1 SBB014841 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.6 O=C(O)C1CNCCO1 SBB053358 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.6 O=C(O)C1CNCCS1 SBB053351 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.6 O=C(O)C1CSCCN1 SBB053350 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.6 O=C(O)[C@@H]1CCCCN1 SBB006732 [2,0,0,0,0,0|1,0,0]=3 110 B9R1.6 OB(O)C1CCCCC1 SBB052596 [2,0,0,0,0,0|1,0,1]=4 111 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [2,0,0,0,0,0|0,0,2]=4 112 B9R1.6 OC(=O)C1CC=CCC1 SBB006583 [2,0,0,0,0,0|0,0,2]=4 113 B9R1.6 OC(=O)C1CNCCN1 SBB004226 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.8 CCCC1CCCCN1 SBB017578 [2,0,0,0,0,0|1,0,1]=4 115 B9R1.8 CCCC1CCCCN1 SBB050937 [2,0,0,0,0,0|1,0,1]=4 116 B9R1.8 CCCN1CCCCC1 SBB061042 [2,0,0,0,0,0|1,0,1]=4 117 B9R1.8 CCOC1CCNCC1 SBB027269 [2,0,0,0,0,0|1,0,0]=3 118 B9R1.8 CCOC1CCNCC1 SBB080379 [2,0,0,0,0,0|1,0,0]=3 119 B9R1.8 COCC1CCCNC1 SBB050890 [2,0,0,0,0,0|1,0,1]=4 120 B9R1.8 NCCC1CCCCC1 SBB051424 [2,0,0,0,0,0|1,0,1]=4 121 B11R0.4 CCCCCC#CC(=O)OCC SBB008812 [0,1,1,0,0,0|0,0,1]=3 122 B11R0.4 CCCCCCCC(=O)OCC SBB061059 [0,1,1,0,0,0|0,0,0]=2 123 B11R0.4 CCCCCCOC(=O)CCC SBB061110 [0,1,1,0,0,0|1,0,0]=3 124 B11R0.4 CCCCNCCC(=O)OCC SBB056920 [0,1,1,0,0,0|0,0,0]=2 125 B11R0.4 CCCCSCCC(=O)OCC SBB001706 [0,1,1,0,0,0|0,0,0]=2 126 B11R0.62 CCOC(=O)CCC(=O)OCC SBB040923 [0,1,1,0,0,0|1,0,1]=4 127 B11R0.81 CCCCCCC(C)OCCCl SBB061537 [0,1,1,0,0,0|1,0,1]=4 128 B11R0.81 CCCCCCC(C)OCCO SBB061589 [0,1,1,0,0,0|1,0,1]=4 129 B11R0.155 CCOC(=O)C(N)CCCCN SBB058160 [0,1,1,0,0,0|1,0,0]=3 130 B11R0.176 CCOC(=O)CCCCC(=O)O SBB065980 [0,1,1,0,0,0|1,0,1]=4 131 B11R0.68 CSCC[C@@H](N)C(=O)OC(C)C SBB070583 [0,1,1,0,0,0|2,0,0]=4 132 B11R0.191 CCCCC(C#N)C(=O)OCC SBB069508 [0,1,1,0,0,0|0,0,1]=3 133 B11R0.191 CCCCC(CC)C(=O)OCC SBB061119 [0,1,1,0,0,0|0,0,0]=2 134 B11R0.61 CCOC(=O)C(OCC)OCC SBB089170 [0,1,1,0,0,0|1,0,0]=3 135 B11R1.22 CC1CCN(C(=O)CCl)CC1 SBB010590 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.22 COC(=O)C1CCC(O)CC1 SBB054036 [1,1,0,0,0,0|0,0,0]=2 137 B11R1.23 CC1CCCN(C(=O)CCl)C1 SBB301316 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.23 COC(=O)N1CCCC(O)C1 SBB047763 [1,1,0,0,0,0|1,0,0]=3 139 B11R1.36 CC(N)C(=O)N1CCCCC1 SBB002500 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.222 CCC(=O)C1CCCCC1=O SBB056586 [1,1,0,0,0,0|0,0,1]=3 141 B11R1.222 COC(=O)C1CCCNC1=O SBB001919 [1,1,0,0,0,0|1,0,1]=4 142 B11R1.222 COC(=O)C1CNCCC1=O SBB003611 [1,1,0,0,0,0|1,0,1]=4 143 B11R1.878 COC(=O)C1(Br)CCCCC1 SBB057357 [1,1,0,0,0,0|0,0,0]=2 144 B11R1.878 COC(=O)C1(N)CCCCC1 SBB302709 [1,1,0,0,0,0|0,0,0]=2 145 B11R1.1 [C@H]1(N)CC[C@@H](CCCC)CC1 SBB059718 [1,1,0,0,0,0|1,0,1]=4 146 B11R1.1 [C@H]1(O)CC[C@H](CCCC)CC1 SBB059708 [1,1,0,0,0,0|1,0,1]=4 147 B11R1.24 CCCNC1CCCC(C)C1 SBB080101 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.28 CCCCNC1CCCCC1 SBB059770 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.28 CCCOCC1CCNCC1 SBB080533 [1,1,0,0,0,0|1,0,1]=4 150 B11R1.28 NCCCNC1CCCCC1 SBB028322 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.15 CCOC(=O)C1CC(O)CN1 SBB010410 [0,1,0,0,1,0|1,0,0]=3 152 B11R1.15 N1C(=O)CC[C@@H]1C(=O)OCC SBB017510 [0,1,0,0,1,0|1,0,1]=4 153 B11R1.15 N1C(=O)CC[C@H]1C(=O)OCC SBB017516 [0,1,0,0,1,0|1,0,1]=4 154 B11R1.199 CCOC(=O)C1CCCC1=O SBB048123 [0,1,0,0,1,0|0,0,1]=3 155 B11R1.819 CCOC(=O)C1(N)CCCC1 SBB116027 [0,1,0,0,1,0|0,0,0]=2 156 B13R1.19 CCOC(=O)CN1CCN(C)CC1 SBB050875 [0,1,0,0,0,1|2,0,0]=4 157 B13R1.20 CCOC(=O)CN1CCCC(C)C1 SBB046595 [0,1,0,0,0,1|1,0,0]=3 158 B13R1.44 O=C(NCCCl)NC1CCCCC1 SBB007689 [0,1,0,0,0,1|1,0,0]=3 159 B13R1.47 CCOC(=O)C(C)N1CCOCC1 SBB046597 [0,1,0,0,0,1|2,0,0]=4 160 B13R1.348 CC(=O)CC(=O)OC1CCCCC1 SBB060039 [0,1,0,0,0,1|1,0,1]=4 161 B13R1.470 CCOC(=O)CN1CCCCC1C SBB046523 [0,1,0,0,0,1|1,0,0]=3 162 B13R1.1512 CCOC(=O)C1CCC(F)(F)CC1 SBB054038 [0,2,0,0,0,0|0,0,0]=2 163 B13R1.446 CCOC(=O)C1CN(C)CCC1=O SBB014367 [0,2,0,0,0,0|1,0,1]=4 164 B13R1.86 CCN(CC)C(=O)C1CCCNC1 SBB027296 [0,2,0,0,0,0|2,0,0]=4 165 B13R1.352 CC(C)(C)OC(=O)N1CCCCC1 SBB056092 [0,2,0,0,0,0|1,0,0]=3 166 B13R1.352 CC(C)(C)OC(=O)N1CCNCC1 SBB056104 [0,2,0,0,0,0|2,0,0]=4 167 B11R1.4 CCCCCCC1OCCO1 SBB060884 [0,0,1,1,0,0|0,0,2]=4 168 B11R1.30 CCOC(=O)CN1CCCC1 SBB111745 [0,0,1,1,0,0|1,0,0]=3 169 B11R2.40 NC1(C2CCCCC2)CC1 SBB072406 [1,0,0,1,0,0|1,0,1]=4 170 B11R2.20 C1CCC2CCCCC2C1 SBB060620 [1,0,0,1,0,0|1,0,1]=4 171 B11R2.20 N1CCCC2CCCCC21 SBB027319 [1,0,0,1,0,0|2,0,0]=4 172 B11R2.20 [C@H]12CCCC[C@H]1CNCC2 SBB056022 [1,0,0,1,0,0|1,0,1]=4 173 B11R2.106 O=C1CCNC2CCCC12 SBB002318 [0,0,0,1,1,0|2,0,0]=4 174 B13R2.15 O=C1CCCN1C2CCCCC2 SBB057294 [0,0,0,1,0,1|1,0,0]=3 175 B13R2.4014 C=C1OC(=O)OC12CCCCC2 SBB001615 [0,0,0,1,0,1|0,0,2]=4 176 B13R2.520 NC1CCN(C(=O)C2CC2)CC1 SBB047503 [0,1,0,1,0,0|2,0,0]=4 177 B13R2.5187 C=C1OC(=O)C2CCC(C)CC12 SBB061348 [0,1,0,1,0,0|0,0,2]=4 178 B13R2.856 CCOC(=O)C1CC2C=CC1C2 SBB060557 [0,1,0,1,0,0|0,0,2]=4 179 B13R2.371 CN1CCC(=O)C2CCCCC21 SBB002323 [0,1,0,1,0,0|1,0,0]=3 180 B9R1.11 COC(=O)C1CCCC1 SBB071502 [1,0,0,0,1,0|0,0,0]=2 181 B9R1.11 COC(=O)C1CCCN1 SBB046302 [1,0,0,0,1,0|1,0,0]=3 182 B9R1.11 COC(=O)C1CCCN1 SBB054027 [1,0,0,0,1,0|1,0,0]=3 183 B9R1.11 COC(=O)[C@@H]1CCCN1 SBB003904 [1,0,0,0,1,0|1,0,0]=3 184 B9R1.11 NNC(=O)C1CCCC1 SBB046301 [1,0,0,0,1,0|2,0,0]=4 185 B9R1.11 O=C(CCl)N1CCCC1 SBB005370 [1,0,0,0,1,0|2,0,0]=4 186 B9R1.12 CCCNC1CCCC1 SBB080044 [1,0,0,0,1,0|2,0,0]=4 187 B9R1.73 CCOC(=O)C1CCC1 SBB059126 [0,0,0,0,2,0|0,0,0]=2 188 B11R1.852 O=C(CCl)N1CCCCCC1 SBB038719 [1,0,0,0,0,1|2,0,0]=4