0 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 CC(=O)N1CCNCC1 SBB027339 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 CC(C)C1CCCCC1 SBB061161 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.6 CN(C)C1CCCCC1 SBB060234 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 CN(C)C1CCCCO1 SBB072697 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.6 C[C@@H](N)C1CCCCC1 SBB028230 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.6 N=C(N)N1CCCCC1 SBB056068 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 N=C(N)N1CCCCC1 SBB056091 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.6 N=C(N)N1CCNCC1 SBB056109 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.6 N=C(N)N1CCOCC1 SBB056147 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.6 N=C(N)N1CCOCC1 SBB056150 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.6 NC(=O)C1CC=CCC1 SBB056263 [0,0,0,0,0,0|1,0,2]=3 12 B9R1.6 NC(=O)C1CCCCC1 SBB008414 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.6 NC(=O)C1CCCCN1 SBB085724 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.6 NC(=O)C1CCCNC1 SBB004239 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.6 NC(=O)C1CCCOC1 SBB047762 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.6 NC(=O)C1CCNCC1 SBB004237 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.6 NC(=O)C1CCOCC1 SBB055946 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.6 NC(=O)C1CNCCN1 SBB056122 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.6 NC(=O)N1CCNCC1 SBB010258 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.6 NC(=O)N1CCNCC1 SBB087950 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.6 NC(=S)N1CCCCC1 SBB028272 [0,0,0,0,0,0|2,1,0]=3 22 B9R1.6 NC(=S)N1CCOCC1 SBB086506 [0,0,0,0,0,0|3,1,0]=4 23 B9R1.6 O=C(Cl)C1CC=CCC1 SBB053674 [0,0,0,0,0,0|1,0,2]=3 24 B9R1.6 O=C(Cl)C1CCCCC1 SBB040626 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.6 O=C(Cl)C1CCOCC1 SBB062712 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.6 O=C(Cl)N1CCOCC1 SBB061723 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.6 O=C(O)C1CCCCC1 SBB008550 [0,0,0,0,0,0|0,0,0]=0 28 B9R1.6 O=C(O)C1CCCCO1 SBB027215 [0,0,0,0,0,0|1,0,0]=1 29 B9R1.6 O=C(O)C1CCCNC1 SBB027313 [0,0,0,0,0,0|1,0,0]=1 30 B9R1.6 O=C(O)C1CCCOC1 SBB014997 [0,0,0,0,0,0|1,0,0]=1 31 B9R1.6 O=C(O)C1CCNCC1 SBB003906 [0,0,0,0,0,0|1,0,0]=1 32 B9R1.6 O=C(O)C1CCNCC1 SBB004231 [0,0,0,0,0,0|1,0,0]=1 33 B9R1.6 O=C(O)C1CCOCC1 SBB027643 [0,0,0,0,0,0|1,0,0]=1 34 B9R1.6 O=C(O)C1CCSCC1 SBB053436 [0,0,0,0,0,0|1,0,0]=1 35 B9R1.6 O=C(O)C1CCSCN1 SBB014841 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.6 O=C(O)C1CNCCO1 SBB053358 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.6 O=C(O)C1CNCCS1 SBB053351 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.6 O=C(O)C1CSCCN1 SBB053350 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.6 O=C(O)[C@@H]1CCCCN1 SBB006732 [0,0,0,0,0,0|1,0,0]=1 40 B9R1.6 OB(O)C1CCCCC1 SBB052596 [0,0,0,0,0,0|1,0,1]=2 41 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [0,0,0,0,0,0|0,0,2]=2 42 B9R1.6 OC(=O)C1CC=CCC1 SBB006583 [0,0,0,0,0,0|0,0,2]=2 43 B9R1.6 OC(=O)C1CNCCN1 SBB004226 [0,0,0,0,0,0|2,0,0]=2 44 B8R1.2 BrCC1CCCCO1 SBB054944 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.2 BrCC1CCCNC1 SBB019055 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 BrCC1CCOCC1 SBB054945 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.2 C(=O)N1CCCCC1 SBB004316 [1,0,0,0,0,0|1,0,0]=2 48 B8R1.2 C(=O)N1CCNCC1 SBB027307 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.2 C(=O)N1CCOCC1 SBB007670 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.2 C=CC1CC=CCC1 SBB059892 [1,0,0,0,0,0|1,0,2]=4 51 B8R1.2 CCC1CCCCC1 SBB061162 [1,0,0,0,0,0|1,0,1]=3 52 B8R1.2 CCC1CCNCC1 SBB046379 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.2 CCN1CCCCC1 SBB061409 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.2 COC1CCNCC1 SBB019028 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.2 ClCC1CCCCO1 SBB040653 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.2 N#CC1CCCCC1 SBB008404 [1,0,0,0,0,0|1,0,1]=3 57 B8R1.2 N#CC1CCNCC1 SBB062695 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.2 N#CC1CCOCC1 SBB019014 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.2 N(C)C1CCCCC1 SBB004314 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.2 N1CCCCC1CC SBB004312 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.2 NCC1CCCCC1 SBB028193 [1,0,0,0,0,0|1,0,1]=3 62 B8R1.2 NCC1CCCCN1 SBB069774 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.2 NCC1CCCCO1 SBB085471 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.2 NCC1CCCOC1 SBB013821 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.2 NCC1CCNCC1 SBB004305 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.2 NCC1CCOCC1 SBB014254 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.2 O=CC1=CCCOC1 SBB018863 [1,0,0,0,0,0|1,0,2]=4 68 B8R1.2 O=CC1CC=CCC1 SBB068360 [1,0,0,0,0,0|0,0,2]=3 69 B8R1.2 O=CC1CCNCC1 SBB052337 [1,0,0,0,0,0|1,0,0]=2 70 B8R1.2 O=CC1CCOCC1 SBB052321 [1,0,0,0,0,0|1,0,0]=2 71 B8R1.2 OCC1CC=CCC1 SBB054865 [1,0,0,0,0,0|0,0,3]=4 72 B8R1.2 OCC1CCCCC1 SBB061328 [1,0,0,0,0,0|0,0,1]=2 73 B8R1.2 OCC1CCCCN1 SBB058544 [1,0,0,0,0,0|1,0,1]=3 74 B8R1.2 OCC1CCCCO1 SBB008943 [1,0,0,0,0,0|1,0,1]=3 75 B8R1.2 OCC1CCCOC1 SBB014200 [1,0,0,0,0,0|1,0,1]=3 76 B8R1.2 OCC1CCNCC1 SBB054833 [1,0,0,0,0,0|1,0,1]=3 77 B8R1.2 ON=C1CCCCC1 SBB058381 [1,0,0,0,0,0|1,0,1]=3 78 B10R1.13 CC(=O)N1CCC(=O)CC1 SBB040812 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.13 CC(C)C1CCC(O)CC1 SBB008023 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.13 CC1CCC(C(=O)O)CC1 SBB065950 [0,1,0,0,0,0|0,0,0]=1 81 B10R1.13 CC1CCC(C(C)C)CC1 SBB008406 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.13 CC1CCN(C(=N)N)CC1 SBB056096 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.13 CC1CCN(C(=N)N)CC1 SBB302672 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.13 CN1CCC(C(=O)O)CC1 SBB025225 [0,1,0,0,0,0|1,0,0]=2 85 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SBB028269 [0,1,0,0,0,0|0,0,0]=1 86 B10R1.13 O=C(O)C1CCC(O)CC1 SBB007787 [0,1,0,0,0,0|0,0,0]=1 87 B10R1.13 O=C1CCC(C(=O)O)CC1 SBB053428 [0,1,0,0,0,0|0,0,1]=2 88 B10R1.15 CCC(C)C1CCCCC1 SBB061319 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.15 CNC(=O)C1CCNCC1 SBB056097 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.15 CNC(=S)N1CCCCC1 SBB003988 [0,1,0,0,0,0|2,1,0]=4 91 B10R1.15 COC(=O)C1=CCCCC1 SBB008621 [0,1,0,0,0,0|0,0,2]=3 92 B10R1.15 COC(=O)C1CC=CCC1 SBB007742 [0,1,0,0,0,0|0,0,2]=3 93 B10R1.15 COC(=O)C1CCCCC1 SBB008423 [0,1,0,0,0,0|0,0,0]=1 94 B10R1.15 COC(=O)C1CCCCN1 SBB079224 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.15 COC(=O)C1CCNCC1 SBB054004 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.15 COC(=O)C1CCNCC1 SBB079418 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.15 NCC(=O)N1CCOCC1 SBB086345 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.15 NNC(=O)C1CCCCC1 SBB000089 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.15 NNC(=O)N1CCOCC1 SBB056145 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.15 N\C(=N\O)C1CCCCC1 SBB079156 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.15 O=C(CBr)N1CCCCC1 SBB051006 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.15 O=C(CBr)N1CCOCC1 SBB051005 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.15 O=C(CCl)N1CCCCC1 SBB072651 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.15 O=C(CCl)N1CCOCC1 SBB005580 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.28 CC(C)(O)C1CCNCC1 SBB012975 [0,1,0,0,0,0|2,0,1]=4 106 B10R1.28 FC(Cl)(Cl)C1CCCCC1 SBB090240 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.28 O=S(=O)(Cl)C1CCCCC1 SBB027257 [0,1,0,0,0,0|1,0,1]=3 108 B10R1.28 O=S(=O)(Cl)N1CCCCC1 SBB018902 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.61 CC(=O)C1CCCCC1=O SBB056190 [0,1,0,0,0,0|1,0,1]=3 110 B10R1.61 CN1CCCCC1C(=O)O SBB018690 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.61 O=C(O)C1CCCNC1=O SBB108817 [0,1,0,0,0,0|1,0,1]=3 112 B10R1.113 CC1CCCC(C(=O)O)N1 SBB080591 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.113 CC1CCCN(C(=N)N)C1 SBB302671 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.113 CN1CCC=C(C(=O)O)C1 SBB053325 [0,1,0,0,0,0|1,0,2]=4 115 B10R1.113 CN1CCCC(C(=O)O)C1 SBB003754 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.113 CN1CCCC(C(=O)O)C1 SBB085537 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.113 O=C1CSCC(C(=O)O)N1 SBB072125 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.363 CC(=O)C1(N)CCCCC1 SBB013031 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.363 CC1(C(=O)O)CCCCC1 SBB053456 [0,1,0,0,0,0|0,0,0]=1 120 B10R1.363 CC1(C(=O)O)COCOC1 SBB010037 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.363 NC1(C(=O)O)CCCCC1 SBB003752 [0,1,0,0,0,0|0,0,0]=1 122 B10R1.363 NC1(C(=O)O)CCCCC1 SBB028270 [0,1,0,0,0,0|0,0,0]=1 123 B10R1.363 NC1(C(=O)O)CCOCC1 SBB027210 [0,1,0,0,0,0|1,0,0]=2 124 B10R1.363 O=C(O)C1(F)CCCCC1 SBB053441 [0,1,0,0,0,0|0,0,0]=1 125 B10R1.363 O=C(O)C1(O)CCCCC1 SBB047861 [0,1,0,0,0,0|0,0,0]=1 126 B8R0.7 C#CCCCCC(=O)O SBB008797 [0,0,1,0,0,0|0,0,2]=3 127 B8R0.7 C=C(C)CSCCCC SBB061593 [0,0,1,0,0,0|3,0,0]=4 128 B8R0.7 CC(=O)OCCCCCl SBB059334 [0,0,1,0,0,0|3,0,0]=4 129 B8R0.7 CCCCCCC(=O)Cl SBB060012 [0,0,1,0,0,0|1,0,0]=2 130 B8R0.7 CCCCCCC(=O)O SBB053587 [0,0,1,0,0,0|0,0,0]=1 131 B8R0.7 CCCCCCC(C)=O SBB060387 [0,0,1,0,0,0|1,0,0]=2 132 B8R0.7 CCCCCCC(C)Br SBB060198 [0,0,1,0,0,0|2,0,1]=4 133 B8R0.7 CCCCCCC(C)N SBB028238 [0,0,1,0,0,0|2,0,1]=4 134 B8R0.7 CCCCCCC(C)O SBB059903 [0,0,1,0,0,0|1,0,1]=3 135 B8R0.7 CCCCCCN(C)C SBB059990 [0,0,1,0,0,0|3,0,0]=4 136 B8R0.7 CCCCCOC(C)=O SBB060027 [0,0,1,0,0,0|2,0,0]=3 137 B8R0.7 CCCCNCC(C)O SBB059782 [0,0,1,0,0,0|2,0,1]=4 138 B8R0.7 CCCCSCC(=O)O SBB061205 [0,0,1,0,0,0|1,0,0]=2 139 B8R0.7 CCCNCCC(N)=O SBB116773 [0,0,1,0,0,0|2,0,0]=3 140 B8R0.7 CCOCCOC(C)=O SBB061000 [0,0,1,0,0,0|3,0,0]=4 141 B8R0.7 COCCOCC(=O)O SBB008497 [0,0,1,0,0,0|2,0,0]=3 142 B8R0.7 N#CCCNCC(=O)O SBB005852 [0,0,1,0,0,0|2,0,1]=4 143 B8R0.7 NC(=O)CCNCCO SBB116776 [0,0,1,0,0,0|3,0,0]=4 144 B8R0.7 NCCCCCC(=O)O SBB015068 [0,0,1,0,0,0|1,0,0]=2 145 B8R0.7 O=C(O)CCCCCBr SBB065783 [0,0,1,0,0,0|1,0,0]=2 146 B8R0.7 O=C(O)CCNCCO SBB079386 [0,0,1,0,0,0|2,0,0]=3 147 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,0,1,0,0,0|2,0,1]=4 148 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [0,0,1,0,0,0|1,0,0]=2 149 B8R0.8 CCCCC(C)C(=O)O SBB072714 [0,0,1,0,0,0|0,0,0]=1 150 B8R0.8 CCCCC(N)C(C)=O SBB014561 [0,0,1,0,0,0|2,0,0]=3 151 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [0,0,1,0,0,0|1,0,0]=2 152 B8R0.8 NCCCC(N)C(=O)O SBB047988 [0,0,1,0,0,0|2,0,0]=3 153 B8R0.8 OC(=O)C(C)CCCCl SBB004068 [0,0,1,0,0,0|1,0,0]=2 154 B8R0.8 OC(=O)[C@@H](CCSC)N SBB006710 [0,0,1,0,0,0|2,0,0]=3 155 B8R0.8 [NH3+]CCCC(N)C(=O)O SBB061681 [0,0,1,0,0,0|2,0,0]=3 156 B8R0.15 CCOC(CC)C(N)=O SBB116764 [0,0,1,0,0,0|2,0,0]=3 157 B10R2.62 O=C1CN2CCC1CC2 SBB056219 [0,0,0,1,0,0|2,0,0]=3 158 B10R2.62 O=C1CN2CCC1CC2 SBB080572 [0,0,0,1,0,0|2,0,0]=3 159 B10R2.320 O=C1NC2CC=CCC12 SBB056302 [0,0,0,1,0,0|1,0,2]=4 160 B8R1.7 N=C(N)C1CCCC1 SBB056275 [0,0,0,0,1,0|2,0,0]=3 161 B8R1.7 N=C(N)N1CCCC1 SBB056159 [0,0,0,0,1,0|3,0,0]=4 162 B8R1.7 NC(=O)C1CCCN1 SBB004067 [0,0,0,0,1,0|2,0,0]=3 163 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [0,0,0,0,1,0|2,0,0]=3 164 B8R1.7 O=C(O)C1C=CCN1 SBB053088 [0,0,0,0,1,0|1,0,2]=4 165 B8R1.7 O=C(O)C1CC=CC1 SBB008010 [0,0,0,0,1,0|0,0,2]=3 166 B8R1.7 O=C(O)C1CCCC1 SBB065782 [0,0,0,0,1,0|0,0,0]=1 167 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,0,0,0,1,0|1,0,0]=2 168 B8R1.7 O=C(O)C1CCNC1 SBB053378 [0,0,0,0,1,0|1,0,0]=2 169 B8R1.7 O=C(O)C1CCNC1 SBB069272 [0,0,0,0,1,0|1,0,0]=2 170 B8R1.7 O=C(O)C1CCOC1 SBB053083 [0,0,0,0,1,0|1,0,0]=2 171 B8R1.7 O=C(O)[C@@H]1CSCN1 SBB015063 [0,0,0,0,1,0|2,0,0]=3 172 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,0,0,0,1,0|1,0,0]=2 173 B8R1.7 O=C(O)[C@H]1CCNC1 SBB065825 [0,0,0,0,1,0|1,0,0]=2 174 B8R1.7 OC(=O)C1SCCN1 SBB027340 [0,0,0,0,1,0|2,0,0]=3 175 B10R1.18 CC(=O)CN1CCCCC1 SBB046418 [0,0,0,0,0,1|2,0,0]=3 176 B10R1.18 CC(=O)CN1CCOCC1 SBB046376 [0,0,0,0,0,1|3,0,0]=4 177 B10R1.18 CC(=O)NC1CCCCC1 SBB058211 [0,0,0,0,0,1|1,0,0]=2 178 B10R1.18 CC(=O)NC1CCCNC1 SBB047941 [0,0,0,0,0,1|2,0,0]=3 179 B10R1.18 CC(=O)OC1CCCCC1 SBB060309 [0,0,0,0,0,1|1,0,0]=2 180 B10R1.18 CC(C)NC1CCCCC1 SBB048030 [0,0,0,0,0,1|2,0,1]=4 181 B10R1.18 CC(O)CN1CCCCC1 SBB056526 [0,0,0,0,0,1|2,0,1]=4 182 B10R1.18 NC(=O)CN1CCOCC1 SBB086344 [0,0,0,0,0,1|3,0,0]=4 183 B10R1.18 NC(=O)NC1CCCCC1 SBB028268 [0,0,0,0,0,1|1,0,0]=2 184 B10R1.18 NC(=S)NC1CCCCC1 SBB017662 [0,0,0,0,0,1|1,1,0]=3 185 B10R1.18 O=C(Cl)CC1CCOCC1 SBB053661 [0,0,0,0,0,1|2,0,0]=3 186 B10R1.18 O=C(O)CC1=CCCCC1 SBB008386 [0,0,0,0,0,1|0,0,2]=3 187 B10R1.18 O=C(O)CC1CCCCC1 SBB058720 [0,0,0,0,0,1|0,0,0]=1 188 B10R1.18 O=C(O)CC1CCCCN1 SBB010294 [0,0,0,0,0,1|1,0,0]=2 189 B10R1.18 O=C(O)CC1CCCCO1 SBB002787 [0,0,0,0,0,1|1,0,0]=2 190 B10R1.18 O=C(O)CC1CCCOC1 SBB027192 [0,0,0,0,0,1|1,0,0]=2 191 B10R1.18 O=C(O)CC1CNCCN1 SBB053343 [0,0,0,0,0,1|2,0,0]=3 192 B10R1.18 O=C(O)CC1CNCCO1 SBB050892 [0,0,0,0,0,1|2,0,0]=3 193 B10R1.18 O=C(O)CN1CCCCC1 SBB014040 [0,0,0,0,0,1|1,0,0]=2 194 B10R1.18 O=C(O)CN1CCNCC1 SBB010118 [0,0,0,0,0,1|2,0,0]=3 195 B10R1.18 O=C(O)CN1CCOCC1 SBB010303 [0,0,0,0,0,1|2,0,0]=3 196 B10R1.348 O=C(O)C1CCCCCC1 SBB008467 [0,0,0,0,0,1|0,0,0]=1 197 B7R0.1 C=CCCCCCC SBB059884 [1,0,1,0,0,0|1,0,0]=3 198 B7R0.1 C=CCSCCCC SBB058522 [1,0,1,0,0,0|2,0,0]=4 199 B7R0.1 CCCCCCC#N SBB060052 [1,0,1,0,0,0|1,0,1]=4 200 B7R0.1 CCCCCCCBr SBB059936 [1,0,1,0,0,0|1,0,1]=4 201 B7R0.1 CCCCCCCCl SBB059954 [1,0,1,0,0,0|1,0,1]=4 202 B7R0.1 CCCCCCCN SBB059985 [1,0,1,0,0,0|1,0,1]=4 203 B7R0.1 CCCCCCOC SBB061157 [1,0,1,0,0,0|2,0,0]=4 204 B7R0.1 CCCCCOC=O SBB060301 [1,0,1,0,0,0|1,0,0]=3 205 B7R0.1 CCCCOCCO SBB059918 [1,0,1,0,0,0|1,0,1]=4 206 B7R0.1 CCCCSCCO SBB013616 [1,0,1,0,0,0|1,0,1]=4 207 B7R0.1 CCNCCCCO SBB052126 [1,0,1,0,0,0|1,0,1]=4 208 B7R0.1 C\C=C\CCCCC SBB059885 [1,0,1,0,0,0|1,0,1]=4 209 B7R0.1 OCCCCCCBr SBB054752 [1,0,1,0,0,0|1,0,1]=4 210 B7R0.1 OCCCCCCCl SBB060188 [1,0,1,0,0,0|1,0,1]=4 211 B7R0.1 OCCCCCCN SBB006584 [1,0,1,0,0,0|1,0,1]=4 212 B7R0.1 OCCCCCCO SBB059915 [1,0,1,0,0,0|1,0,1]=4 213 B7R0.1 OCCCCCCS SBB058615 [1,0,1,0,0,0|1,0,1]=4 214 B7R0.4 C#CCCCC(=O)O SBB009090 [1,0,1,0,0,0|0,0,2]=4 215 B7R0.4 CCCC#CC(=O)O SBB009091 [1,0,1,0,0,0|0,0,2]=4 216 B7R0.4 CCCCCC(=O)Cl SBB060011 [1,0,1,0,0,0|1,0,0]=3 217 B7R0.4 CCCCCC(=O)O SBB053586 [1,0,1,0,0,0|0,0,0]=2 218 B7R0.4 CCCCCC(C)=O SBB061125 [1,0,1,0,0,0|1,0,0]=3 219 B7R0.4 CCCCCC(N)=O SBB061056 [1,0,1,0,0,0|1,0,0]=3 220 B7R0.4 CCCCOC(N)=O SBB060819 [1,0,1,0,0,0|2,0,0]=4 221 B7R0.4 CCC\C=C\C(=O)O SBB009088 [1,0,1,0,0,0|0,0,2]=4 222 B7R0.4 CCOCCC(=O)O SBB053607 [1,0,1,0,0,0|1,0,0]=3 223 B7R0.4 NCCCCC(=O)O SBB061559 [1,0,1,0,0,0|1,0,0]=3 224 B7R0.4 O=C(O)CCCCBr SBB061343 [1,0,1,0,0,0|1,0,0]=3 225 B7R0.4 O=C(O)CCCCCl SBB061215 [1,0,1,0,0,0|1,0,0]=3 226 B7R0.4 OC(=O)C\C=C/CC SBB006610 [1,0,1,0,0,0|0,0,2]=4 227 B7R0.3 C=CC(O)CCCC SBB008778 [1,0,1,0,0,0|2,0,0]=4 228 B7R0.5 CCCC(Br)C(=O)O SBB065976 [1,0,1,0,0,0|1,0,0]=3 229 B7R0.5 CCCC(C)C(=O)O SBB065915 [1,0,1,0,0,0|0,0,0]=2 230 B7R0.5 CCCC(C)C(C)O SBB061491 [1,0,1,0,0,0|1,0,1]=4 231 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [1,0,1,0,0,0|1,0,0]=3 232 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [1,0,1,0,0,0|0,0,2]=4 233 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [1,0,1,0,0,0|2,0,0]=4 234 B7R0.5 NC(CCO)C(=O)O SBB065734 [1,0,1,0,0,0|2,0,0]=4 235 B7R0.5 NC(CCS)C(=O)O SBB065757 [1,0,1,0,0,0|2,0,0]=4 236 B7R0.5 NCCC(N)C(=O)O SBB053580 [1,0,1,0,0,0|2,0,0]=4 237 B7R0.5 NCCC(N)C(=O)O SBB066000 [1,0,1,0,0,0|2,0,0]=4 238 B7R0.5 NCCC(O)C(=O)O SBB066010 [1,0,1,0,0,0|2,0,0]=4 239 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [1,0,1,0,0,0|2,0,0]=4 240 B7R0.12 CCCC(CO)CO SBB059211 [1,0,1,0,0,0|1,0,1]=4 241 B7R0.15 CCC(CC)C(=O)O SBB061341 [1,0,1,0,0,0|0,0,0]=2 242 B7R0.15 CCC(OC)C(N)=O SBB116762 [1,0,1,0,0,0|2,0,0]=4 243 B7R0.15 CCN(CC)C(=O)Cl SBB061734 [1,0,1,0,0,0|2,0,0]=4 244 B7R0.15 CNC(CS)C(=O)O SBB053575 [1,0,1,0,0,0|2,0,0]=4 245 B7R0.15 O=C(O)C(CBr)CBr SBB069082 [1,0,1,0,0,0|2,0,0]=4 246 B7R1.3 BrC1CCCCC1 SBB059944 [2,0,0,0,0,0|1,0,0]=3 247 B7R1.3 BrC1CCNCC1 SBB054613 [2,0,0,0,0,0|2,0,0]=4 248 B7R1.3 CC1CCCCC1 SBB061163 [2,0,0,0,0,0|0,0,1]=3 249 B7R1.3 CN1CCCCC1 SBB060237 [2,0,0,0,0,0|1,0,1]=4 250 B7R1.3 ClC1CCOCC1 SBB070678 [2,0,0,0,0,0|2,0,0]=4 251 B7R1.3 FC1CCCNC1 SBB070684 [2,0,0,0,0,0|2,0,0]=4 252 B7R1.3 FC1CCNCC1 SBB070685 [2,0,0,0,0,0|2,0,0]=4 253 B7R1.3 N1CCC(C)CC1 SBB027302 [2,0,0,0,0,0|1,0,1]=4 254 B7R1.3 N1CCCC(C)C1 SBB027301 [2,0,0,0,0,0|1,0,1]=4 255 B7R1.3 N1CCCC(O)C1 SBB004193 [2,0,0,0,0,0|1,0,0]=3 256 B7R1.3 N1CCCCC1C SBB027300 [2,0,0,0,0,0|1,0,1]=4 257 B7R1.3 NC1CCCCC1 SBB040492 [2,0,0,0,0,0|1,0,0]=3 258 B7R1.3 NC1CCCNC1 SBB052004 [2,0,0,0,0,0|2,0,0]=4 259 B7R1.3 NC1CCCOC1 SBB012974 [2,0,0,0,0,0|2,0,0]=4 260 B7R1.3 NC1CCNCC1 SBB028166 [2,0,0,0,0,0|2,0,0]=4 261 B7R1.3 NC1CCOCC1 SBB014873 [2,0,0,0,0,0|2,0,0]=4 262 B7R1.3 NC1CCOCC1 SBB069906 [2,0,0,0,0,0|2,0,0]=4 263 B7R1.3 NN1CCCCC1 SBB067336 [2,0,0,0,0,0|2,0,0]=4 264 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [2,0,0,0,0,0|2,0,0]=4 265 B7R1.3 N[C@H]1CCCNC1 SBB017596 [2,0,0,0,0,0|2,0,0]=4 266 B7R1.3 O=C1CCCCC1 SBB060074 [2,0,0,0,0,0|0,0,1]=3 267 B7R1.3 O=C1CCCCO1 SBB060349 [2,0,0,0,0,0|1,0,1]=4 268 B7R1.3 O=C1CCOCC1 SBB049627 [2,0,0,0,0,0|1,0,1]=4 269 B7R1.3 O=C1CCSCC1 SBB048121 [2,0,0,0,0,0|1,0,1]=4 270 B7R1.3 OC1CCCCC1 SBB060483 [2,0,0,0,0,0|0,0,0]=2 271 B7R1.3 OC1CCCCO1 SBB055947 [2,0,0,0,0,0|1,0,0]=3 272 B7R1.3 OC1CCCNC1 SBB027351 [2,0,0,0,0,0|1,0,0]=3 273 B7R1.3 OC1CCNCC1 SBB027346 [2,0,0,0,0,0|1,0,0]=3 274 B7R1.3 OC1CCOCC1 SBB055945 [2,0,0,0,0,0|1,0,0]=3 275 B9R0.1 CCC(C)NCCC(N)=O SBB116742 [0,1,1,0,0,0|2,0,0]=4 276 B9R0.1 COC(=O)CCCC(=O)O SBB007943 [0,1,1,0,0,0|1,0,1]=4 277 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [0,1,1,0,0,0|1,0,0]=3 278 B9R0.2 CCCCCCCC(=O)O SBB060020 [0,1,1,0,0,0|0,0,0]=2 279 B9R0.2 CCCCCCCC(C)=O SBB061540 [0,1,1,0,0,0|1,0,0]=3 280 B9R0.2 CCCCCCCC(C)O SBB008521 [0,1,1,0,0,0|1,0,1]=4 281 B9R0.2 CCCCCCCC(N)=O SBB061055 [0,1,1,0,0,0|1,0,0]=3 282 B9R0.2 CCCCCCNC(N)=S SBB028342 [0,1,1,0,0,0|1,1,0]=4 283 B9R0.2 CCCCCCOC(C)=O SBB060306 [0,1,1,0,0,0|1,0,0]=3 284 B9R0.2 CCCCSCCC(=O)O SBB001705 [0,1,1,0,0,0|0,0,0]=2 285 B9R0.2 COCCNCCC(N)=O SBB116772 [0,1,1,0,0,0|2,0,0]=4 286 B9R0.2 NCCCCCCC(=O)O SBB072673 [0,1,1,0,0,0|0,0,0]=2 287 B9R0.2 O=C(O)CCCCCCO SBB059715 [0,1,1,0,0,0|0,0,0]=2 288 B9R0.2 [NH2+]=C(N)SCCCCCC SBB060417 [0,1,1,0,0,0|2,0,0]=4 289 B9R0.4 COCCN(C)CC(=O)O SBB046598 [0,1,1,0,0,0|2,0,0]=4 290 B9R0.38 CCCCCCP(=O)(O)O SBB057477 [0,1,1,0,0,0|1,0,0]=3 291 B9R0.46 CCCCC#CC(=O)OC SBB009075 [0,1,1,0,0,0|0,0,2]=4 292 B9R0.46 CCCCCCC(=O)CC SBB007744 [0,1,1,0,0,0|1,0,0]=3 293 B9R0.46 CCCCCCC(=O)NN SBB021011 [0,1,1,0,0,0|1,0,0]=3 294 B9R0.46 CCCCCCC(=O)OC SBB060317 [0,1,1,0,0,0|0,0,0]=2 295 B9R0.46 CCCCCNC(=O)CCl SBB017391 [0,1,1,0,0,0|2,0,0]=4 296 B9R0.46 CCCCCOC(=O)CC SBB058817 [0,1,1,0,0,0|2,0,0]=4 297 B9R0.46 CCCCCOC(=O)CCl SBB060707 [0,1,1,0,0,0|2,0,0]=4 298 B9R0.46 CCCCCOC(=O)CS SBB061204 [0,1,1,0,0,0|1,1,0]=4 299 B9R0.46 COC(=O)CCCCCN SBB003739 [0,1,1,0,0,0|1,0,0]=3 300 B9R0.46 NNC(=O)CCCCCO SBB072600 [0,1,1,0,0,0|2,0,0]=4 301 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB003731 [0,1,1,0,0,0|1,0,0]=3 302 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB062859 [0,1,1,0,0,0|1,0,0]=3 303 B9R0.47 NCCCC[C@H](N)C(=O)O SBB062982 [0,1,1,0,0,0|1,0,0]=3 304 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,1,1,0,0,0|1,0,1]=4 305 B9R0.55 CC(=O)CCCCC(=O)O SBB068339 [0,1,1,0,0,0|0,0,1]=3 306 B9R0.55 CC(=O)NCCCC(=O)O SBB028464 [0,1,1,0,0,0|1,0,1]=4 307 B9R0.55 CC(C)CCCCC(=O)O SBB065917 [0,1,1,0,0,0|0,0,0]=2 308 B9R0.55 O=C(O)CCCCC(=O)O SBB040846 [0,1,1,0,0,0|1,0,1]=4 309 B9R0.7 C[S+](C)CCC(N)C(=O)O SBB067713 [0,1,1,0,0,0|2,0,0]=4 310 B9R0.7 OC(=O)C(CCS(C)=O)N SBB012363 [0,1,1,0,0,0|2,0,0]=4 311 B9R0.7 OC(=O)C(CC[S+](C)C)N SBB017051 [0,1,1,0,0,0|2,0,0]=4 312 B9R0.7 OC(=O)[C@@H](CC[S+](C)C)N SBB017003 [0,1,1,0,0,0|2,0,0]=4 313 B9R0.8 COC(=O)C(N)CCCN SBB072642 [0,1,1,0,0,0|2,0,0]=4 314 B9R0.8 COC(=O)C(N)CCSC SBB003548 [0,1,1,0,0,0|2,0,0]=4 315 B9R0.8 N[C@@H](CCSC)C(=O)OC SBB005764 [0,1,1,0,0,0|2,0,0]=4 316 B9R0.13 CCCCC(CC)C(=O)Cl SBB058897 [0,1,1,0,0,0|1,0,0]=3 317 B9R0.13 CCCCC(CC)C(=O)O SBB060021 [0,1,1,0,0,0|0,0,0]=2 318 B9R0.13 CCCCC(CC)C(N)=O SBB061054 [0,1,1,0,0,0|1,0,0]=3 319 B9R0.12 CCOC(CC)C(=O)NN SBB080165 [0,1,1,0,0,0|2,0,0]=4 320 B9R0.15 CCCC(CCC)C(=O)O SBB065764 [0,1,1,0,0,0|0,0,0]=2 321 B9R0.15 CCCC(CCC)C(N)=O SBB015062 [0,1,1,0,0,0|1,0,0]=3 322 B9R0.15 CCCN(CCC)C(C)=O SBB008474 [0,1,1,0,0,0|2,0,0]=4 323 B9R1.1 CC1CCC(=NO)CC1 SBB108710 [1,1,0,0,0,0|1,0,1]=4 324 B9R1.1 CCC1CCC(N)CC1 SBB085697 [1,1,0,0,0,0|1,0,1]=4 325 B9R1.1 CCC1CCC(O)CC1 SBB058793 [1,1,0,0,0,0|1,0,1]=4 326 B9R1.1 CN1CCC(CO)CC1 SBB014682 [1,1,0,0,0,0|1,0,1]=4 327 B9R1.1 O=C1CCC(CO)CC1 SBB054860 [1,1,0,0,0,0|0,0,2]=4 328 B9R1.2 CN1CCCC(CO)C1 SBB108760 [1,1,0,0,0,0|1,0,1]=4 329 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [1,1,0,0,0,0|0,0,2]=4 330 B9R1.8 C(=O)NC1CCCCC1 SBB007682 [1,1,0,0,0,0|0,0,0]=2 331 B9R1.8 COCC1CCCNC1 SBB050890 [1,1,0,0,0,0|1,0,1]=4 332 B9R1.8 NCCC1CCCCC1 SBB051424 [1,1,0,0,0,0|1,0,1]=4 333 B9R1.8 O=C=NC1CCCCC1 SBB060893 [1,1,0,0,0,0|0,0,1]=3 334 B9R1.8 OCCC1CCCCN1 SBB027305 [1,1,0,0,0,0|1,0,1]=4 335 B9R1.8 OCCC1CCNCC1 SBB027320 [1,1,0,0,0,0|1,0,1]=4 336 B9R1.8 OCCN1CCCCC1 SBB040888 [1,1,0,0,0,0|1,0,1]=4 337 B9R1.8 S=C=NC1CCCCC1 SBB014110 [1,1,0,0,0,0|0,1,1]=4 338 B9R1.15 CN1CCCCC1CO SBB062716 [1,1,0,0,0,0|1,0,1]=4 339 B9R1.15 CN[C@H]1CCCC[C@@H]1O SBB302548 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.15 CN[C@H]1CCCC[C@H]1O SBB302547 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.15 O=C1CCCCC1CO SBB054864 [1,1,0,0,0,0|0,0,2]=4 342 B9R1.118 C#CC1(Cl)CCCCC1 SBB001933 [1,1,0,0,0,0|1,0,1]=4 343 B9R1.118 C#CC1(N)CCCCC1 SBB002516 [1,1,0,0,0,0|1,0,1]=4 344 B9R1.118 C#CC1(O)CCCCC1 SBB008829 [1,1,0,0,0,0|1,0,1]=4 345 B9R1.118 OC1(CN)CCCCC1 SBB005863 [1,1,0,0,0,0|1,0,1]=4 346 B9R1.118 OCC1(F)CCCCC1 SBB054863 [1,1,0,0,0,0|0,0,1]=3 347 B9R1.11 COC(=O)C1CCCC1 SBB071502 [0,1,0,0,1,0|0,0,0]=2 348 B9R1.11 COC(=O)C1CCCN1 SBB046302 [0,1,0,0,1,0|1,0,0]=3 349 B9R1.11 COC(=O)C1CCCN1 SBB054027 [0,1,0,0,1,0|1,0,0]=3 350 B9R1.11 COC(=O)[C@@H]1CCCN1 SBB003904 [0,1,0,0,1,0|1,0,0]=3 351 B9R1.11 NNC(=O)C1CCCC1 SBB046301 [0,1,0,0,1,0|1,0,0]=3 352 B9R1.11 O=C(CCl)N1CCCC1 SBB005370 [0,1,0,0,1,0|2,0,0]=4 353 B9R1.19 O=S(=O)(Cl)C1CCCC1 SBB061213 [0,1,0,0,1,0|1,0,1]=4 354 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 SBB004222 [0,1,0,0,1,0|1,0,0]=3 355 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SBB053386 [0,1,0,0,1,0|1,0,0]=3 356 B9R1.35 O=C1CCC(C(=O)O)C1 SBB069114 [0,1,0,0,1,0|0,0,1]=3 357 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SBB004232 [0,1,0,0,1,0|1,0,1]=4 358 B9R1.41 CN1CCCC1C(=O)O SBB108828 [0,1,0,0,1,0|1,0,0]=3 359 B9R1.163 CC1(C(=O)O)CCCO1 SBB012745 [0,1,0,0,1,0|1,0,0]=3 360 B9R1.163 OC(=O)C1(N)CCCC1 SBB004230 [0,1,0,0,1,0|0,0,0]=2 361 B11R1.20 CC(=O)NC1CCC(=O)CC1 SBB062705 [0,1,0,0,0,1|1,0,1]=4 362 B11R1.20 CC1CCN(CC(=O)O)CC1 SBB010388 [0,1,0,0,0,1|1,0,0]=3 363 B11R1.20 CN1CCN(CC(=O)O)CC1 SBB039917 [0,1,0,0,0,1|2,0,0]=4 364 B11R1.20 NC1CCN(CC(=O)O)CC1 SBB014698 [0,1,0,0,0,1|1,0,0]=3 365 B11R1.20 O=C(O)CN1CCC(=O)CC1 SBB010385 [0,1,0,0,0,1|1,0,1]=4 366 B11R1.36 CC(C(=O)O)N1CCCCC1 SBB045912 [0,1,0,0,0,1|1,0,0]=3 367 B11R1.36 CC(C(=O)O)N1CCOCC1 SBB028124 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 SBB067146 [0,1,0,0,0,1|0,0,0]=2 369 B11R1.36 O=C(O)[C@@H](O)C1CCCCC1 SBB058636 [0,1,0,0,0,1|0,0,0]=2 370 B11R1.40 C=CC(=O)NC1CCCCC1 SBB056517 [0,1,0,0,0,1|1,0,0]=3 371 B11R1.40 COC(=O)CC1CCNCC1 SBB018691 [0,1,0,0,0,1|1,0,0]=3 372 B11R1.40 COC(=O)CC1CNCCN1 SBB054016 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.40 COC(=O)CC1CNCCO1 SBB054018 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.40 C\C(CN1CCCCC1)=N/O SBB020250 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.40 NC(CO)CC1CCCCC1 SBB057172 [0,1,0,0,0,1|1,0,1]=4 376 B11R1.40 NNC(=O)CC1CCNCC1 SBB046472 [0,1,0,0,0,1|2,0,0]=4 377 B11R1.40 NNC(=O)CN1CCCCC1 SBB072021 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.40 NNC(=O)NC1CCCCC1 SBB072937 [0,1,0,0,0,1|1,0,0]=3 379 B11R1.40 NNC(=S)NC1CCCCC1 SBB017690 [0,1,0,0,0,1|1,1,0]=4 380 B11R1.40 N\C(CN1CCCCC1)=N\O SBB028329 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.40 O=C(CBr)NC1CCCCC1 SBB080041 [0,1,0,0,0,1|1,0,0]=3 382 B11R1.40 O=C(CCl)NC1CCCCC1 SBB017388 [0,1,0,0,0,1|1,0,0]=3 383 B11R1.86 CC(=O)CN1CCCCC1C SBB046421 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.86 CC(=O)NC1CCCC[C@H]1Cl SBB056532 [0,1,0,0,0,1|1,0,0]=3 385 B11R1.86 CC1CCCCN1CC(=O)O SBB046596 [0,1,0,0,0,1|1,0,0]=3 386 B11R1.86 CN1CCCCC1CC(=O)O SBB010391 [0,1,0,0,0,1|1,0,0]=3 387 B11R1.157 CC(=O)CN1CCCC(C)C1 SBB046420 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.157 CC1CCCN(CC(=O)O)C1 SBB010390 [0,1,0,0,0,1|1,0,0]=3 389 B11R1.509 O=S(=O)(Cl)CC1CCCCC1 SBB092083 [0,1,0,0,0,1|1,0,1]=4 390 B11R1.928 O=C(O)CC1(O)CCCCC1 SBB300165 [0,1,0,0,0,1|0,0,0]=2 391 B11R1.928 O=[N+]([O-])CC1(O)CCCCC1 SBB007771 [0,1,0,0,0,1|1,0,1]=4 392 B11R1.143 CC(=O)N1CCCCCC1=O SBB008053 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.852 O=C(CCl)N1CCCCCC1 SBB038719 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.3 CCN1CCC(C(=O)O)CC1 SBB111902 [0,2,0,0,0,0|1,0,0]=3 395 B11R1.3 CNC1CCN(C(C)=O)CC1 SBB052016 [0,2,0,0,0,0|2,0,0]=4 396 B11R1.3 COC1CCC(C(=O)O)CC1 SBB053474 [0,2,0,0,0,0|0,0,0]=2 397 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 SBB006715 [0,2,0,0,0,0|0,0,0]=2 398 B11R1.3 O=C(O)C1CCC(CO)CC1 SBB302353 [0,2,0,0,0,0|0,0,0]=2 399 B11R1.3 O=CN1CCC(C(=O)O)CC1 SBB053321 [0,2,0,0,0,0|1,0,0]=3 400 B11R1.3 [C@H]1(CC)CC[C@H](C(=O)O)CC1 SBB059323 [0,2,0,0,0,0|0,0,0]=2 401 B11R1.21 CC1=C(C)CC(C(=O)O)CC1 SBB302002 [0,2,0,0,0,0|0,0,2]=4 402 B11R1.21 CN1CC(C(=O)O)CCC1=O SBB025081 [0,2,0,0,0,0|1,0,1]=4 403 B11R1.21 CN1CCC(C(=O)O)CC1=O SBB046476 [0,2,0,0,0,0|1,0,1]=4 404 B11R1.22 CC1CCN(C(=O)CCl)CC1 SBB010590 [0,2,0,0,0,0|2,0,0]=4 405 B11R1.22 COC(=O)C1CCC(O)CC1 SBB054036 [0,2,0,0,0,0|0,0,0]=2 406 B11R1.727 O=C(O)C1CCC(F)(F)CC1 SBB053457 [0,2,0,0,0,0|0,0,0]=2 407 B11R1.16 CCCC(O)C1CCCCC1 SBB071419 [0,2,0,0,0,0|1,0,1]=4 408 B11R1.16 CCOC(=O)C1CCCNC1 SBB027354 [0,2,0,0,0,0|1,0,0]=3 409 B11R1.16 CCOC(=O)C1CCNCC1 SBB004006 [0,2,0,0,0,0|1,0,0]=3 410 B11R1.16 CCOC(=O)C1CNCCO1 SBB054017 [0,2,0,0,0,0|2,0,0]=4 411 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 SBB054010 [0,2,0,0,0,0|1,0,0]=3 412 B11R1.16 CCOC(=O)[C@H]1CCCNC1 SBB066252 [0,2,0,0,0,0|1,0,0]=3 413 B11R1.16 N#CCC(=O)N1CCCCC1 SBB000112 [0,2,0,0,0,0|2,0,0]=4 414 B11R1.16 N1CCN(C(=O)OCC)CC1 SBB003993 [0,2,0,0,0,0|2,0,0]=4 415 B11R1.16 NCCC(=O)N1CCCCC1 SBB302636 [0,2,0,0,0,0|2,0,0]=4 416 B11R1.23 CC1CCCN(C(=O)CCl)C1 SBB301316 [0,2,0,0,0,0|2,0,0]=4 417 B11R1.23 COC(=O)N1CCCC(O)C1 SBB047763 [0,2,0,0,0,0|1,0,0]=3 418 B11R1.222 CCC(=O)C1CCCCC1=O SBB056586 [0,2,0,0,0,0|1,0,1]=4 419 B11R1.222 COC(=O)C1CCCNC1=O SBB001919 [0,2,0,0,0,0|1,0,1]=4 420 B11R1.222 COC(=O)C1CNCCC1=O SBB003611 [0,2,0,0,0,0|1,0,1]=4 421 B11R1.878 COC(=O)C1(Br)CCCCC1 SBB057357 [0,2,0,0,0,0|0,0,0]=2 422 B11R1.878 COC(=O)C1(N)CCCCC1 SBB302709 [0,2,0,0,0,0|0,0,0]=2 423 B11R1.74 O=C1CC(=O)CC(C(=O)O)C1 SBB051442 [0,2,0,0,0,0|0,0,2]=4 424 B11R1.266 CCN1CCCC(C(=O)O)C1 SBB303328 [0,2,0,0,0,0|1,0,0]=3 425 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [0,0,1,1,0,0|1,0,0]=3 426 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [0,0,1,1,0,0|2,0,0]=4 427 B9R1.13 O=C(Cl)CC1CCCC1 SBB116687 [0,0,1,1,0,0|1,0,0]=3 428 B9R1.13 O=C(Cl)OC1CCCC1 SBB056243 [0,0,1,1,0,0|2,0,0]=4 429 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [0,0,1,1,0,0|0,0,0]=2 430 B9R1.13 O=C(O)CC1CCCO1 SBB002788 [0,0,1,1,0,0|1,0,0]=3 431 B9R1.13 O=C(O)CN1CCCC1 SBB017909 [0,0,1,1,0,0|1,0,0]=3 432 B9R1.13 O=C(O)C[C@@H]1CCCN1 SBB066746 [0,0,1,1,0,0|1,0,0]=3 433 B9R1.50 O=C1CCCCCCC1 SBB008888 [0,0,1,1,0,0|1,0,0]=3 434 B9R1.50 OC1CCCCCCC1 SBB058905 [0,0,1,1,0,0|1,0,1]=4 435 B9R1.83 CCCCCCC1CO1 SBB017138 [0,0,1,1,0,0|1,0,1]=4 436 B9R1.84 O=C(O)CCC1CCC1 SBB072391 [0,0,1,1,0,0|0,0,0]=2 437 B9R1.5 CN1CCCCCC1=O SBB056535 [0,0,1,1,0,0|2,0,0]=4 438 B9R1.5 NC1CCCCNC1=O SBB056282 [0,0,1,1,0,0|2,0,0]=4 439 B9R1.112 N[C@@H](CC1CC1)C(=O)O SBB065934 [0,0,1,1,0,0|1,0,0]=3 440 B9R1.33 O=C1OCCN1CCO SBB007726 [0,0,1,1,0,0|2,0,0]=4 441 B9R1.179 C=CCC1(C(=O)O)CC1 SBB053467 [0,0,1,1,0,0|0,0,2]=4 442 B9R2.24 C12CCC(CC1)C2Br SBB054711 [1,0,0,1,0,0|1,0,1]=4 443 B9R2.174 C1CCC2(CC1)NN2 SBB069577 [1,0,0,1,0,0|2,0,0]=4 444 B9R2.39 O=C1CC2CCC1C2 SBB072159 [0,0,0,1,1,0|1,0,0]=3 445 B11R2.10 O=C1OC2CCCCC2O1 SBB002057 [0,0,0,1,0,1|0,0,0]=2 446 B11R2.10 S=C1NC2CCCCC2N1 SBB048778 [0,0,0,1,0,1|1,1,0]=4 447 B11R2.1852 O=C(O)C1C2CCCCC21 SBB010153 [0,0,0,1,0,1|0,0,0]=2 448 B11R2.13 N#CC1OC12CCCCC2 SBB056231 [0,1,0,1,0,0|1,0,1]=4 449 B11R2.164 O\N=C1/CN2CCC1CC2 SBB086175 [0,1,0,1,0,0|2,0,0]=4 450 B11R2.367 C=C1C(=O)C2CCN1CC2 SBB057220 [0,1,0,1,0,0|2,0,0]=4 451 B11R2.845 O=C(O)C1CC2C=CC1C2 SBB008175 [0,1,0,1,0,0|0,0,2]=4 452 B11R2.845 O=C(O)C1CC2CCC1C2 SBB008208 [0,1,0,1,0,0|0,0,0]=2 453 B7R1.1 BrCC1CCCC1 SBB054968 [1,0,0,0,1,0|1,0,1]=4 454 B7R1.1 N#CC1CCCC1 SBB008886 [1,0,0,0,1,0|1,0,1]=4 455 B7R1.1 NNC1CCCC1 SBB301621 [1,0,0,0,1,0|2,0,0]=4 456 B7R1.1 O=CC1CCCC1 SBB069481 [1,0,0,0,1,0|0,0,0]=2 457 B7R1.1 O=CC1CCOC1 SBB052278 [1,0,0,0,1,0|1,0,0]=3 458 B7R1.1 OCC1CCCC1 SBB008516 [1,0,0,0,1,0|0,0,1]=3 459 B7R1.1 OCC1CCCO1 SBB058567 [1,0,0,0,1,0|1,0,1]=4 460 B7R1.1 OCC1CCNC1 SBB046413 [1,0,0,0,1,0|1,0,1]=4 461 B7R1.1 OC[C@H]1CCCN1 SBB027252 [1,0,0,0,1,0|1,0,1]=4 462 B7R1.1 ON=C1CCCC1 SBB060393 [1,0,0,0,1,0|1,0,1]=4 463 B7R1.18 NC(=O)C1CCC1 SBB111823 [0,0,0,0,2,0|1,0,0]=3 464 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [0,0,0,0,2,0|1,0,0]=3 465 B7R1.18 O=C(O)C1CCC1 SBB053465 [0,0,0,0,2,0|0,0,0]=2 466 B7R1.18 O=C(O)C1CCN1 SBB053470 [0,0,0,0,2,0|1,0,0]=3 467 B7R1.18 O=C(O)C1CNC1 SBB027353 [0,0,0,0,2,0|1,0,0]=3 468 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [0,0,0,0,2,0|1,0,0]=3 469 B9R0.14 CCCC(CC)OC(C)=O SBB060029 [0,0,1,0,0,1|1,0,0]=3 470 B9R1.89 N#CC1CCCCCC1 SBB008917 [1,0,0,0,0,1|1,0,1]=4 471 B9R1.89 O=CC1CCCCCC1 SBB059644 [1,0,0,0,0,1|0,0,0]=2 472 B9R1.89 O=CN1CCCNCC1 SBB040967 [1,0,0,0,0,1|1,0,0]=3 473 B11R1.91 CC(=O)NCC1CCNCC1 SBB047898 [0,0,0,0,0,2|2,0,0]=4 474 B11R1.91 NC(=O)NN=C1CCCCC1 SBB087080 [0,0,0,0,0,2|1,0,1]=4 475 B11R1.91 O=C(Cl)CCC1CCCCC1 SBB005478 [0,0,0,0,0,2|1,0,0]=3 476 B11R1.91 O=C(O)CCC1CCCCN1 SBB018825 [0,0,0,0,0,2|1,0,0]=3 477 B11R1.91 O=C(O)CCC1CCCNC1 SBB014718 [0,0,0,0,0,2|1,0,0]=3 478 B11R1.91 O=C(O)CCN1CCNCC1 SBB010190 [0,0,0,0,0,2|2,0,0]=4 479 B11R1.91 O=C(O)CCN1CCOCC1 SBB010411 [0,0,0,0,0,2|2,0,0]=4 480 B11R1.91 O=C(O)CCN1CCOCC1 SBB091930 [0,0,0,0,0,2|2,0,0]=4 481 B11R1.91 O=C(O)\C=C\C1CC=CCC1 SBB076267 [0,0,0,0,0,2|0,0,2]=4 482 B11R1.742 O=C(O)CN1CCCCCC1 SBB010389 [0,0,0,0,0,2|1,0,0]=3