0 B8R0.1 CCC#CC(=O)OCC SBB008819 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.1 CCCC(=O)OCCCl SBB061294 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.1 CCCCC(=O)OCC SBB061113 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.1 CCCCC(O)CCC SBB059905 [0,0,0,0,0,0|0,0,4]=4 4 B8R0.1 CCCCS(=O)CCO SBB019077 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.1 CCCNC(=O)CC#N SBB049417 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.1 CCCOC(=O)CCC SBB061105 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.1 CCOC(=O)CCCBr SBB070757 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.1 CCOC(=O)CCCN SBB003878 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.1 CCOC(=O)NCCO SBB079074 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.1 C=CCCCCCC SBB059884 [1,0,0,0,0,0|0,0,3]=4 11 B7R0.1 C=CCSCCCC SBB058522 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.1 CCCCCCOC SBB061157 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.1 CCCCCOC=O SBB060301 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.1 CCCCNCCC SBB059822 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.1 C\C=C\CCCCC SBB059885 [1,0,0,0,0,0|0,0,1]=2 16 B7R0.3 C#CCOC(=O)C=C SBB008981 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.3 C=C(CC)CCCC SBB060475 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.3 C=CC(O)CCCC SBB008778 [1,0,0,0,0,0|0,0,2]=3 19 B7R0.3 CCC(=O)OCCCl SBB060315 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.3 CCCCC(=O)NN SBB028196 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.3 CCCNC(=O)CCl SBB016586 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.3 CCCOC(=O)CCl SBB060962 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.3 CCCOC(=O)CS SBB061003 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.3 CCOCC(=O)NN SBB080108 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.3 CNCCC(=O)NC SBB046578 [1,0,0,0,0,0|2,0,0]=3 26 B7R0.3 CNCCC(=O)NC SBB080433 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.3 COC(=N)CCCCl SBB056505 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.3 N(N)C(=O)CCOC SBB059492 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.3 NNC(=O)CCCO SBB028199 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.7 C=C=CC(=O)OCC SBB054147 [1,0,0,0,0,0|1,0,2]=4 31 B7R0.7 CC#CC(=O)OCC SBB069554 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.7 CCCC(=O)CCC SBB060386 [1,0,0,0,0,0|0,0,2]=3 33 B7R0.7 CCNC(=O)NCC SBB058550 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.7 CCOC(=O)CCBr SBB070739 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.7 CCOC(=O)CCN SBB004038 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.7 CCOC(=O)OCC SBB060086 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.7 C\C=C\C(=O)OCC SBB061219 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.7 N(C)CC(=O)OCC SBB004039 [1,0,0,0,0,0|2,0,1]=4 39 B9R0.5 CCCC#CC(=O)OCC SBB008805 [0,1,0,0,0,0|1,0,2]=4 40 B9R0.5 CCCCCC(=O)CCC SBB005828 [0,1,0,0,0,0|0,0,2]=3 41 B9R0.5 CCCCCC(=O)OCC SBB060316 [0,1,0,0,0,0|1,0,1]=3 42 B9R0.5 CCCCOC(=O)CCC SBB061107 [0,1,0,0,0,0|0,0,2]=3 43 B9R0.5 CCOC(=O)CCCCBr SBB070781 [0,1,0,0,0,0|1,0,1]=3 44 B9R0.18 CCCCC(=O)CCCC SBB060073 [0,1,0,0,0,0|0,0,2]=3 45 B9R0.18 CCCCC(=O)OCCC SBB061228 [0,1,0,0,0,0|0,0,2]=3 46 B9R0.18 CCCCS(=O)CCCC SBB060669 [0,1,0,0,0,0|1,0,2]=4 47 B9R0.34 CCOC(=O)CC(C)NC SBB046551 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.34 CCOC(=O)C[C@H](O)CCl SBB070707 [0,1,0,0,0,0|2,0,1]=4 49 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [0,1,0,0,0,0|0,0,2]=3 50 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,1,0,0,0,0|0,0,3]=4 51 B9R0.48 CCCC(=O)OCC(C)C SBB061108 [0,1,0,0,0,0|1,0,2]=4 52 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [0,0,0,1,0,0|1,0,2]=4 53 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [0,0,0,1,0,0|1,0,2]=4 54 B9R1.12 CCCCN1C=CN=C1 SBB108734 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.12 CCNCC1=CC=CO1 SBB047492 [0,0,0,1,0,0|1,0,2]=4 56 B9R1.12 NCCCC1=CC=CO1 SBB047796 [0,0,0,1,0,0|1,0,2]=4 57 B9R1.15 CCC1CCCOC1=O SBB061552 [0,0,0,1,0,0|1,0,2]=4 58 B9R1.15 COC1CCCNC1=O SBB056098 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.15 O=C1CCCCC1CO SBB054864 [0,0,0,1,0,0|1,0,2]=4 60 B9R1.22 CCN1N=C(Br)C=C1C SBB116194 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.22 CCN1N=C(C)C=C1C SBB024588 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.22 CCN1N=C(I)C=C1C SBB116211 [0,0,0,1,0,0|3,0,0]=4 63 B9R1.22 CCN1N=C(N)C=C1C SBB009549 [0,0,0,1,0,0|3,0,0]=4 64 B9R1.33 CCCN1N=CC=C1C SBB024159 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.33 CCCN1N=CC=C1N SBB007271 [0,0,0,1,0,0|3,0,0]=4 66 B9R1.48 O=C1CCCCC(=O)C1 SBB056238 [0,0,0,1,0,0|1,0,1]=3 67 B9R1.50 O=C1CCCCCCC1 SBB008888 [0,0,0,1,0,0|0,0,2]=3 68 B9R1.69 CC1CNC(=O)NC1=O SBB058146 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.73 CCOC(=O)C1CCC1 SBB059126 [0,0,0,1,0,0|1,0,1]=3 70 B6R0.6 C=CCCCCBr SBB054740 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.6 C=CCCCCC SBB059882 [2,0,0,0,0,0|0,0,1]=3 72 B6R0.6 CCCCCOC SBB061300 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.6 CCCCNC=O SBB060026 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.6 CCCCOC=O SBB060300 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.6 CCCCSCC SBB061178 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.6 CCC\C=C\C=O SBB067097 [2,0,0,0,0,0|1,0,0]=3 77 B6R0.6 CC\C=C/CCO SBB007739 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.1 C=CC(=O)OCC SBB060348 [2,0,0,0,0,0|1,0,0]=3 79 B6R0.1 CCCC(=O)CC SBB061496 [2,0,0,0,0,0|0,0,1]=3 80 B6R0.1 CCCC(=O)NN SBB028175 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.1 CCCC(=O)OC SBB061104 [2,0,0,0,0,0|1,0,0]=3 82 B6R0.1 CCOC(=O)CC SBB060312 [2,0,0,0,0,0|1,0,1]=4 83 B6R0.1 COC(=O)CCBr SBB070709 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.1 COC(=O)CCN SBB071679 [2,0,0,0,0,0|2,0,0]=4 85 B6R0.1 C\C=C\C(=O)OC SBB061218 [2,0,0,0,0,0|1,0,0]=3 86 B6R0.4 C=CCCC(C)=O SBB009089 [2,0,0,0,0,0|0,0,2]=4 87 B6R0.4 CC(=O)NCCCl SBB008165 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.4 CC(=O)NCCN SBB028176 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.4 CC(=O)NCCO SBB007954 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.4 CC(=O)OCCCl SBB058505 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.4 CCC#CC(C)=O SBB009086 [2,0,0,0,0,0|0,0,2]=4 92 B6R0.4 CCCCC(=O)O SBB053585 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.4 CCCCC(C)=O SBB061262 [2,0,0,0,0,0|0,0,0]=2 94 B6R0.4 CCCCC(C)O SBB061290 [2,0,0,0,0,0|0,0,2]=4 95 B6R0.4 CCCCC(N)=O SBB028169 [2,0,0,0,0,0|1,0,0]=3 96 B6R0.4 CCCCN(C)C SBB060243 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.4 CCCNC(N)=O SBB028174 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.4 CCCOC(C)=O SBB060305 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.4 CCCOC(N)=O SBB000036 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.4 CCOCC(=O)O SBB069120 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.4 CCSCC(=O)O SBB047288 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.4 CNCCC(N)=O SBB080375 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.4 NCCCC(=O)O SBB028179 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.4 O=C(Cl)CCCCl SBB060894 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.4 O=C(O)CCCBr SBB065986 [2,0,0,0,0,0|2,0,0]=4 106 B8R0.4 CCCCC\C=C\C=O SBB068337 [1,1,0,0,0,0|1,0,0]=3 107 B8R0.4 C\C=C\CSCCCC SBB061594 [1,1,0,0,0,0|0,0,1]=3 108 B8R0.6 CCCCCC(=O)CC SBB060388 [1,1,0,0,0,0|0,0,2]=4 109 B8R0.6 CCCCCC(=O)OC SBB060591 [1,1,0,0,0,0|1,0,1]=4 110 B8R0.6 CCCCOC(=O)CC SBB060578 [1,1,0,0,0,0|1,0,1]=4 111 B8R0.7 C=C(C)CSCCCC SBB061593 [1,1,0,0,0,0|1,0,1]=4 112 B8R0.7 CCCCCCC(C)=O SBB060387 [1,1,0,0,0,0|0,0,2]=4 113 B8R0.7 CCCCCOC(C)=O SBB060027 [1,1,0,0,0,0|1,0,1]=4 114 B8R0.3 COC(=O)C(C)CCCl SBB054131 [1,1,0,0,0,0|2,0,0]=4 115 B8R0.3 COC(=O)[C@@H](N)CSC SBB080950 [1,1,0,0,0,0|2,0,0]=4 116 B8R0.8 C=C(C)C(=O)OCCF SBB085807 [1,1,0,0,0,0|2,0,0]=4 117 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [1,1,0,0,0,0|0,0,0]=2 118 B8R0.8 CCCCC(=O)N(C)C SBB007992 [1,1,0,0,0,0|1,0,0]=3 119 B8R0.8 CCCCC(N)C(C)=O SBB014561 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.8 CCCOC(=O)C(C)Cl SBB060963 [1,1,0,0,0,0|1,0,1]=4 121 B8R0.9 CCC(=O)OCC(C)C SBB060974 [1,1,0,0,0,0|1,0,1]=4 122 B8R0.11 C(=O)\C(=C\CCC)CC SBB008156 [1,1,0,0,0,0|0,0,2]=4 123 B8R0.11 CCCCC(C=O)CC SBB060148 [1,1,0,0,0,0|0,0,2]=4 124 B8R0.19 CCC(=O)OC(C)CC SBB061103 [1,1,0,0,0,0|1,0,1]=4 125 B8R0.5 CCCC(=O)OC(C)C SBB061106 [1,1,0,0,0,0|1,0,1]=4 126 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [1,1,0,0,0,0|1,0,1]=4 127 B8R0.5 CCOC(=O)CC(C)C SBB061114 [1,1,0,0,0,0|1,0,1]=4 128 B8R0.5 CCOC(=O)CC(C)N SBB108871 [1,1,0,0,0,0|1,0,1]=4 129 B8R0.5 CCOC(=O)\C=C(\C)N SBB028236 [1,1,0,0,0,0|1,0,0]=3 130 B10R0.6 CCCCOC(=O)CN(C)C SBB060887 [0,2,0,0,0,0|1,0,1]=4 131 B10R0.6 COCCOC(=O)CC(C)=O SBB061715 [0,2,0,0,0,0|1,0,1]=4 132 B10R0.32 CCOC(=O)C(N)CC(C)C SBB048376 [0,2,0,0,0,0|1,0,1]=4 133 B10R0.1 CCCCC#CC(=O)OCC SBB008804 [0,2,0,0,0,0|1,0,1]=4 134 B10R0.1 CCCCCCC(=O)OCC SBB061117 [0,2,0,0,0,0|1,0,1]=4 135 B10R0.1 CCCCCOC(=O)CCC SBB060758 [0,2,0,0,0,0|0,0,2]=4 136 B10R0.1 CCOC(=O)CCCCCBr SBB006556 [0,2,0,0,0,0|1,0,1]=4 137 B10R0.2 CCCC(=O)CC(=O)OCC SBB061679 [0,2,0,0,0,0|1,0,1]=4 138 B10R0.2 CCNC(C)CC(=O)OCC SBB046533 [0,2,0,0,0,0|1,0,1]=4 139 B10R0.3 CCCC(=O)OCCC(C)C SBB061109 [0,2,0,0,0,0|0,0,2]=4 140 B10R0.19 CCCCC(Br)C(=O)OCC SBB070817 [0,2,0,0,0,0|1,0,1]=4 141 B10R0.19 CCOC(=O)C(N)CCSC SBB000541 [0,2,0,0,0,0|1,0,1]=4 142 B10R0.19 CCOC(=O)[C@@H](N)CCCN SBB070614 [0,2,0,0,0,0|1,0,1]=4 143 B10R0.91 CCCCCC(=O)OCCCl SBB061275 [0,2,0,0,0,0|1,0,1]=4 144 B8R1.2 C#CC1=CCCCC1 SBB002648 [1,0,0,1,0,0|0,0,2]=4 145 B8R1.2 N#CC1=CCCCC1 SBB007873 [1,0,0,1,0,0|1,0,1]=4 146 B8R1.2 O=CC1=CCCOC1 SBB018863 [1,0,0,1,0,0|2,0,0]=4 147 B8R1.2 OCC1CC=CCC1 SBB054865 [1,0,0,1,0,0|1,0,1]=4 148 B8R1.8 CCCC1=CC=CS1 SBB073407 [1,0,0,1,0,0|1,0,1]=4 149 B8R1.8 CCCN1C=CC=N1 SBB024228 [1,0,0,1,0,0|2,0,0]=4 150 B8R1.11 CCN1N=CC=C1C SBB020345 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.49 C1=CCCCCCC1 SBB059890 [1,0,0,1,0,0|0,0,1]=3 152 B8R1.1 CCC1COC(=O)O1 SBB008625 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.1 O=C1C=C[C@H](CO)O1 SBB006580 [1,0,0,1,0,0|2,0,0]=4 154 B8R1.3 CN1CCC(=O)CC1 SBB080527 [1,0,0,1,0,0|1,0,1]=4 155 B8R1.3 O=C1CCC(O)CC1 SBB056283 [1,0,0,1,0,0|1,0,1]=4 156 B8R1.38 COC(=O)C1CCC1 SBB071501 [1,0,0,1,0,0|1,0,0]=3 157 B8R1.38 NNC(=O)C1CCC1 SBB046617 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.50 CC1=C(C)C(=O)NC1 SBB055792 [1,0,0,1,0,0|1,0,1]=4 159 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [1,0,0,1,0,0|0,0,0]=2 160 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [1,0,0,1,0,0|1,0,0]=3 161 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [1,0,0,1,0,0|1,0,1]=4 162 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [1,0,0,1,0,0|2,0,0]=4 163 B10R1.8 CCN1CC(=O)C=C(C)C1 SBB002877 [0,1,0,1,0,0|1,0,0]=3 164 B10R1.16 CCCCN1C=CC(C)=N1 SBB025003 [0,1,0,1,0,0|2,0,0]=4 165 B10R1.61 CC(=O)C1CCCCC1=O SBB056190 [0,1,0,1,0,0|0,0,1]=3 166 B10R1.130 CCCN1N=C(Br)C=C1C SBB116195 [0,1,0,1,0,0|2,0,0]=4 167 B10R1.130 CCCN1N=C(C)C=C1C SBB024140 [0,1,0,1,0,0|2,0,0]=4 168 B10R1.130 CCCN1N=C(C)C=C1N SBB007274 [0,1,0,1,0,0|2,0,0]=4 169 B10R1.130 CCCN1N=C(I)C=C1C SBB116212 [0,1,0,1,0,0|2,0,0]=4 170 B10R1.130 CCCN1N=C(N)C=C1C SBB022912 [0,1,0,1,0,0|2,0,0]=4 171 B10R1.11 CCCC(N)C1=CC=CS1 SBB048342 [0,1,0,1,0,0|0,1,1]=4 172 B10R1.19 C=CN1CCCCCC1=O SBB056203 [0,1,0,1,0,0|1,0,1]=4 173 B10R1.21 CNCCCC1=CC=CO1 SBB301605 [0,1,0,1,0,0|0,0,2]=4 174 B10R1.29 CCCCC1=CC=NN1C SBB073399 [0,1,0,1,0,0|2,0,0]=4 175 B10R1.29 CCCCN1N=CC=C1C SBB025004 [0,1,0,1,0,0|2,0,0]=4 176 B10R1.78 O=C1CCCCCCCN1 SBB058438 [0,1,0,1,0,0|0,0,2]=4 177 B10R1.15 COC(=O)C1=CCCCC1 SBB008621 [0,1,0,1,0,0|2,0,0]=4 178 B10R1.4 C=CCC1CCCCC1=O SBB006544 [0,1,0,1,0,0|0,0,2]=4 179 B10R1.4 CCCN1C=CC=CC1=O SBB008029 [0,1,0,1,0,0|1,0,1]=4 180 B10R1.187 CC1=NNC(=O)C1CCO SBB008034 [0,1,0,1,0,0|2,0,0]=4 181 B10R1.22 CC1CC(=O)CN(C)C1C SBB002863 [0,1,0,1,0,0|1,0,1]=4 182 B10R1.118 [C@H]1(C)C[C@@H](C)C(=O)OC1=O SBB086230 [0,1,0,1,0,0|2,0,0]=4 183 B10R1.401 CCOC(=O)C1(N)CCC1 SBB003753 [0,1,0,1,0,0|1,0,1]=4 184 B10R1.5 CCCN1N=CC=C1C=O SBB022381 [0,1,0,1,0,0|2,0,0]=4 185 B10R1.161 COC1=CCCCCCC1 SBB008525 [0,1,0,1,0,0|0,0,2]=4 186 B10R1.66 CC(N)CCC1=CC=CO1 SBB007120 [0,1,0,1,0,0|0,0,2]=4 187 B10R2.7 C1=NNC2=C1CCCC2 SBB082976 [0,0,0,2,0,0|2,0,0]=4 188 B10R2.42 O=C1OC(=O)C2CCC12 SBB056376 [0,0,0,2,0,0|2,0,0]=4