0 B7R0.5 C=C(C)C(=O)OCC SBB061402 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.5 CCCC(=O)N(C)C SBB008345 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.5 CCCC(Br)C(=O)O SBB065976 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.5 CCCC(C)C(=O)O SBB065915 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.5 CCCC(C)C(C)O SBB061491 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.5 CCOC(=O)C(C)Br SBB058608 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.5 CCOC(=O)C(C)C SBB060711 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.5 CCOC(=O)C(C)N SBB004040 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.5 CCOC(=O)C(F)Br SBB070746 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.5 CCOC(=O)C(F)I SBB097841 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.5 CCOC(=O)C(N)=S SBB056420 [0,0,0,0,0,0|2,1,0]=3 12 B7R0.5 CCOC(F)=C(F)F SBB085623 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.5 CN(C)C(=O)CC#N SBB066046 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.5 CN(C)C(=O)CCN SBB085472 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.5 FC(F)=C(F)CCBr SBB006604 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.5 NC(CCO)C(=O)O SBB065734 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.5 NC(CCS)C(=O)O SBB065757 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.5 NCCC(N)C(=O)O SBB053580 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.5 NCCC(N)C(=O)O SBB066000 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.5 NCCC(O)C(=O)O SBB066010 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.1 C#CC(=O)OCC SBB060344 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.1 C=CC(=O)OCC SBB060348 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.1 CCCC(=O)CC SBB061496 [1,0,0,0,0,0|0,0,1]=2 27 B6R0.1 CCCC(=O)NN SBB028175 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.1 CCCC(=O)OC SBB061104 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.1 CCCC(O)CC SBB061363 [1,0,0,0,0,0|0,0,3]=4 30 B6R0.1 CCC\C(N)=N/O SBB028173 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.1 CCNC(=O)CBr SBB051008 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.1 CCNC(=O)CCl SBB008200 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.1 CCOC(=O)CBr SBB060995 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.1 CCOC(=O)CC SBB060312 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.1 CCOC(=O)NN SBB028182 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.1 COC(=O)CC#N SBB059483 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.1 COC(=O)CCBr SBB070709 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.1 COC(=O)CCN SBB071679 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.1 COCC(=O)NN SBB021113 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.1 C\C=C\C(=O)OC SBB061218 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.3 C=C(C)C(=O)OC SBB060556 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.3 CC(=O)\C(C)=N/O SBB061682 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.3 CCC(=O)C(C)=O SBB061626 [1,0,0,0,0,0|0,0,0]=1 45 B6R0.3 CCC(Br)C(=O)O SBB040791 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.3 CCC(N)C(N)=O SBB017505 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.3 CN(C)C(=O)CCl SBB038711 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.3 COC(=O)C(C)C SBB061111 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.3 COC(=O)C(C)N SBB007634 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.3 C\C=C(\C)C(=O)O SBB071598 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.3 NNC(=O)C(N)=O SBB111635 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.3 O=C(O)C(=O)CBr SBB053571 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.3 O=C(O)C(=O)CBr SBB053584 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.4 C=CCCC(C)=O SBB009089 [1,0,0,0,0,0|0,0,3]=4 56 B6R0.4 CC(=O)NCCCl SBB008165 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.4 CC(=O)NCCN SBB028176 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.4 CC(=O)NCCO SBB007954 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.4 CC(=O)OCCCl SBB058505 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.4 CCC#CC(C)=O SBB009086 [1,0,0,0,0,0|0,0,2]=3 61 B6R0.4 CCCCC(=O)O SBB053585 [1,0,0,0,0,0|1,0,1]=3 62 B6R0.4 CCCCC(C)=O SBB061262 [1,0,0,0,0,0|0,0,1]=2 63 B6R0.4 CCCCC(C)O SBB061290 [1,0,0,0,0,0|0,0,3]=4 64 B6R0.4 CCCCC(N)=O SBB028169 [1,0,0,0,0,0|1,0,1]=3 65 B6R0.4 CCCCN(C)C SBB060243 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.4 CCCNC(N)=O SBB028174 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.4 CCCOC(C)=O SBB060305 [1,0,0,0,0,0|1,0,0]=2 68 B6R0.4 CCCOC(N)=O SBB000036 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.4 CCOCC(=O)O SBB069120 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.4 CCSCC(=O)O SBB047288 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,0,0,0,0,0|1,0,1]=3 72 B6R0.4 CNCCC(N)=O SBB080375 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.4 NCCCC(=O)O SBB028179 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.4 O=C(Cl)CCCCl SBB060894 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.4 O=C(O)CCCBr SBB065986 [1,0,0,0,0,0|2,0,1]=4 76 B8R0.2 CCC(C)C(Br)C(=O)O SBB069132 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)O SBB037854 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.3 CCOC(=O)C(=O)CBr SBB054095 [0,1,0,0,0,0|1,0,0]=2 79 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [0,1,0,0,0,0|1,0,0]=2 80 B8R0.3 CCOC(=O)C(Br)CC SBB070758 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.3 CCOC(=O)C(Cl)C=O SBB054117 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.3 CCOC(=O)C(N)CC SBB072718 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.3 CCOC(=O)[C@@H](N)CS SBB065777 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.3 CCOC(=O)\C(Cl)=N\O SBB009890 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.3 CCOC(=O)\C(N)=N/O SBB085806 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.3 COC(=O)C(C)CCCl SBB054131 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.3 COC(=O)[C@@H](N)CSC SBB080950 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.8 C=C(C)C(=O)OCCF SBB085807 [0,1,0,0,0,0|2,0,0]=3 89 B8R0.8 CC(=O)N(C)CCC#N SBB001628 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.8 CC(O)C(=O)NCCO SBB008212 [0,1,0,0,0,0|1,0,2]=4 91 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,1,0,0,0,0|0,0,0]=1 92 B8R0.8 CCCCC(=O)N(C)C SBB007992 [0,1,0,0,0,0|2,0,0]=3 93 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.8 CCCCC(C)C(=O)O SBB072714 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.8 CCCCC(N)C(C)=O SBB014561 [0,1,0,0,0,0|1,0,1]=3 96 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.8 CCCOC(=O)C(C)Cl SBB060963 [0,1,0,0,0,0|1,0,1]=3 98 B8R0.8 NCCCC(N)C(=O)O SBB047988 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.8 OC(=O)C(C)CCCCl SBB004068 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.8 OC(=O)[C@@H](CCSC)N SBB006710 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.8 [NH3+]CCCC(N)C(=O)O SBB061681 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.12 CCCC(C)(C)C(=O)O SBB007765 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.14 CNCC(=O)C(C)(C)C SBB002868 [0,1,0,0,0,0|2,0,1]=4 104 B8R0.23 CC(=O)CC(=O)N(C)C SBB007704 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.23 CC(C)CC(N)C(N)=O SBB000156 [0,1,0,0,0,0|2,0,1]=4 106 B8R0.23 CC(C)CC(N)C(N)=O SBB072626 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.23 CC(C)C[C@@H](N)C(=O)O SBB006736 [0,1,0,0,0,0|2,0,1]=4 108 B8R0.23 CC(C)C[C@H](O)C(=O)O SBB065948 [0,1,0,0,0,0|1,0,2]=4 109 B8R0.23 CC(C)OC(=O)[C@@H](C)N SBB070143 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.23 O=C(O)CC(=O)C(=O)O SBB065751 [0,1,0,0,0,0|2,0,1]=4 111 B8R1.5 CC1=C(C)CCCC1 SBB060472 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.5 CC1=NCCCN1C SBB001664 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.5 CC1CCCCC1=O SBB058517 [0,0,0,1,0,0|1,0,1]=3 114 B8R1.5 CC1NCCNC1=O SBB080100 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.5 CC1SCCNC1=O SBB111924 [0,0,0,1,0,0|1,1,1]=4 116 B8R1.5 NC1CCCNC1=O SBB012739 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.5 O=C1CCCCC1Cl SBB061548 [0,0,0,1,0,0|1,0,1]=3 118 B8R1.5 O=C1NCCNC1=O SBB079701 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.7 NC(=O)C1=NCCN1 SBB013487 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.7 NC(=O)C1CCCN1 SBB004067 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.7 O=C(O)C1CCCC1 SBB065782 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,0,0,1,0,0|1,0,2]=4 124 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.18 CC1=NN(C)C(=O)C1 SBB055838 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.19 CC1(Br)CCOC1=O SBB057373 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.78 NC1(C(=O)O)CCC1 SBB050243 [0,0,0,1,0,0|2,0,1]=4 128 B8R0.5 CCCC(=O)OC(C)C SBB061106 [0,0,0,0,0,1|1,0,1]=3 129 B8R0.5 CCCC(C)CC(=O)O SBB061321 [0,0,0,0,0,1|2,0,1]=4 130 B8R0.5 CCOC(=O)CC(=N)N SBB010259 [0,0,0,0,0,1|3,0,0]=4 131 B8R0.5 CCOC(=O)CC(=O)Cl SBB056440 [0,0,0,0,0,1|2,0,0]=3 132 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [0,0,0,0,0,1|2,0,0]=3 133 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [0,0,0,0,0,1|1,0,0]=2 134 B8R0.5 CCOC(=O)CC(C)C SBB061114 [0,0,0,0,0,1|2,0,1]=4 135 B8R0.5 CCOC(=O)CC(C)N SBB108871 [0,0,0,0,0,1|2,0,1]=4 136 B8R0.5 CCOC(=O)\C=C(\C)N SBB028236 [0,0,0,0,0,1|2,0,0]=3 137 B8R0.5 N#CCC(=O)NC(N)=O SBB028224 [0,0,0,0,0,1|2,0,1]=4 138 B5R0.1 CC(=O)CC#N SBB014113 [2,0,0,0,0,0|1,0,1]=4 139 B5R0.1 CC(C)=CCBr SBB061690 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.1 CCCC(=O)Cl SBB040624 [2,0,0,0,0,0|1,0,0]=3 141 B5R0.1 CCOC(=O)Cl SBB040861 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.1 COCC(=O)O SBB061376 [2,0,0,0,0,0|1,0,1]=4 143 B5R0.1 CS(=O)CCN SBB050811 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.1 CSCC(=O)O SBB053570 [2,0,0,0,0,0|1,0,1]=4 145 B5R0.1 C\C(Cl)=C\CN SBB301293 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.1 O=C(O)CCBr SBB065770 [2,0,0,0,0,0|1,0,1]=4 147 B5R0.1 O=C(O)CCCl SBB069140 [2,0,0,0,0,0|1,0,1]=4 148 B5R0.3 CCC(=O)NN SBB021112 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.3 CNC(=O)CBr SBB080576 [2,0,0,0,0,0|2,0,0]=4 150 B5R0.3 CNC(=O)CCl SBB049936 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.3 COC(=O)CBr SBB056823 [2,0,0,0,0,0|2,0,0]=4 152 B5R0.3 COC(=O)CCl SBB040686 [2,0,0,0,0,0|2,0,0]=4 153 B5R0.5 CC(=O)C(C)Cl SBB060958 [2,0,0,0,0,0|1,0,1]=4 154 B7R0.2 CC(C)CC(=O)NN SBB021012 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.2 CC(O)CC(=O)NN SBB072890 [1,1,0,0,0,0|2,0,0]=4 156 B7R0.2 CCC(=O)OC(C)C SBB061101 [1,1,0,0,0,0|1,0,1]=4 157 B7R0.2 COC(=O)CC(C)=O SBB060889 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.3 C=C(CC)CCCC SBB060475 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.3 CCC(=O)OCCCl SBB060315 [1,1,0,0,0,0|1,0,1]=4 160 B7R0.3 CCCCC(=O)NN SBB028196 [1,1,0,0,0,0|2,0,0]=4 161 B7R0.3 CCCNC(=O)CCl SBB016586 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.3 CCCOC(=O)CCl SBB060962 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.3 CCCOC(=O)CS SBB061003 [1,1,0,0,0,0|0,1,1]=4 164 B7R0.3 CCOCC(=O)NN SBB080108 [1,1,0,0,0,0|2,0,0]=4 165 B7R0.3 CNCCC(=O)NC SBB046578 [1,1,0,0,0,0|1,0,0]=3 166 B7R0.3 CNCCC(=O)NC SBB080433 [1,1,0,0,0,0|1,0,0]=3 167 B7R0.3 COC(=N)CCCCl SBB056505 [1,1,0,0,0,0|2,0,0]=4 168 B7R0.3 N(N)C(=O)CCOC SBB059492 [1,1,0,0,0,0|2,0,0]=4 169 B7R0.3 NNC(=O)CCCO SBB028199 [1,1,0,0,0,0|2,0,0]=4 170 B7R0.7 C=C=CC(=O)OCC SBB054147 [1,1,0,0,0,0|1,0,1]=4 171 B7R0.7 CC#CC(=O)OCC SBB069554 [1,1,0,0,0,0|1,0,1]=4 172 B7R0.7 CCCC(=O)CCC SBB060386 [1,1,0,0,0,0|0,0,1]=3 173 B7R0.7 CCNC(=O)NCC SBB058550 [1,1,0,0,0,0|1,0,1]=4 174 B7R0.7 CCOC(=O)CCBr SBB070739 [1,1,0,0,0,0|1,0,1]=4 175 B7R0.7 CCOC(=O)CCN SBB004038 [1,1,0,0,0,0|1,0,1]=4 176 B7R0.7 CCOC(=O)OCC SBB060086 [1,1,0,0,0,0|1,0,1]=4 177 B7R0.7 C\C=C\C(=O)OCC SBB061219 [1,1,0,0,0,0|1,0,0]=3 178 B7R0.7 N(C)CC(=O)OCC SBB004039 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.10 CCC(Br)C(=O)OC SBB070737 [1,1,0,0,0,0|1,0,0]=3 180 B7R0.10 COC(=O)C(N)CO SBB004026 [1,1,0,0,0,0|2,0,0]=4 181 B7R0.10 COC(=O)C(N)CS SBB054105 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.16 CC(Br)C(=O)C(C)Br SBB070869 [1,1,0,0,0,0|1,0,1]=4 183 B7R0.4 CCCC#CC(=O)O SBB009091 [1,1,0,0,0,0|1,0,1]=4 184 B7R0.4 CCCCCC(=O)Cl SBB060011 [1,1,0,0,0,0|1,0,1]=4 185 B7R0.4 CCCCCC(=O)O SBB053586 [1,1,0,0,0,0|1,0,1]=4 186 B7R0.4 CCCCCC(C)=O SBB061125 [1,1,0,0,0,0|0,0,1]=3 187 B7R0.4 CCCCCC(N)=O SBB061056 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.4 CCCCOC(N)=O SBB060819 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.4 CCC\C=C\C(=O)O SBB009088 [1,1,0,0,0,0|1,0,0]=3 190 B7R0.4 CCOCCC(=O)O SBB053607 [1,1,0,0,0,0|1,0,1]=4 191 B7R0.4 COCCOC(C)=O SBB060999 [1,1,0,0,0,0|1,0,0]=3 192 B7R0.4 NCCCCC(=O)O SBB061559 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.4 O=C(O)CCCCBr SBB061343 [1,1,0,0,0,0|1,0,1]=4 194 B7R0.4 O=C(O)CCCCCl SBB061215 [1,1,0,0,0,0|1,0,1]=4 195 B7R0.4 OC(=O)C\C=C/CC SBB006610 [1,1,0,0,0,0|1,0,1]=4 196 B7R0.6 CC(=O)CCC(C)=O SBB040811 [1,1,0,0,0,0|0,0,2]=4 197 B7R0.6 CC(C)CCC(=O)O SBB065829 [1,1,0,0,0,0|1,0,1]=4 198 B7R0.6 CC(C)CNC(N)=O SBB008242 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [1,1,0,0,0,0|1,0,1]=4 200 B9R0.6 CCOC(=O)C(C)C(C)=O SBB060347 [0,1,0,0,0,1|1,0,0]=3 201 B9R0.6 CCOC(=O)C(Cl)C(C)=O SBB040841 [0,1,0,0,0,1|1,0,0]=3 202 B9R0.14 CCCC(CC)OC(C)=O SBB060029 [0,1,0,0,0,1|1,0,1]=4 203 B9R0.23 COC(=O)C(=O)CC(C)=O SBB004133 [0,1,0,0,0,1|1,0,1]=4 204 B9R0.34 CCOC(=O)CC(=O)CCl SBB040868 [0,1,0,0,0,1|1,0,0]=3 205 B9R0.34 CCOC(=O)\C=C(\C)NC SBB080741 [0,1,0,0,0,1|2,0,0]=4 206 B9R0.34 CNC(=O)NC(=O)CC#N SBB072947 [0,1,0,0,0,1|1,0,1]=4 207 B9R0.34 N(C(=O)CCl)C(=O)OCC SBB003907 [0,1,0,0,0,1|1,0,0]=3 208 B9R0.44 CCOC(=O)CS(C)(=O)=O SBB059048 [0,1,0,0,0,1|2,0,0]=4 209 B9R0.53 CC(=O)CC(=O)OC(C)C SBB061713 [0,1,0,0,0,1|1,0,0]=3 210 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC SBB010304 [0,2,0,0,0,0|1,0,1]=4 211 B9R0.8 COC(=O)C(N)CCCN SBB072642 [0,2,0,0,0,0|1,0,1]=4 212 B9R0.8 COC(=O)C(N)CCSC SBB003548 [0,2,0,0,0,0|1,0,1]=4 213 B9R0.8 N[C@@H](CCSC)C(=O)OC SBB005764 [0,2,0,0,0,0|1,0,1]=4 214 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [0,2,0,0,0,0|0,0,2]=4 215 B9R0.35 CCNC(=O)C(=O)NCC SBB007900 [0,2,0,0,0,0|1,0,0]=3 216 B9R0.35 CCOC(=O)C(=O)OCC SBB040948 [0,2,0,0,0,0|1,0,0]=3 217 B9R0.35 CCOC(=O)C(C)N=C=O SBB048880 [0,2,0,0,0,0|1,0,1]=4 218 B9R0.37 CCCC(=O)N(CC)CC SBB008344 [0,2,0,0,0,0|2,0,0]=4 219 B9R0.3 CCCOC(=O)C(C)(Cl)Cl SBB056564 [0,2,0,0,0,0|1,0,1]=4 220 B9R0.7 CC(C)COC(=O)C(C)C SBB061112 [0,2,0,0,0,0|1,0,1]=4 221 B9R0.7 CC(C)COC(=O)C(C)Cl SBB061232 [0,2,0,0,0,0|1,0,1]=4 222 B9R0.7 CC(C)COC(=O)C(C)O SBB061172 [0,2,0,0,0,0|0,0,2]=4 223 B9R0.7 O=C(O)CCC(=O)C(=O)O SBB056419 [0,2,0,0,0,0|1,0,1]=4 224 B9R0.47 CCCCCC(=O)N(C)C SBB008014 [0,2,0,0,0,0|2,0,0]=4 225 B9R0.47 CCCCNC(=O)N(C)C SBB008135 [0,2,0,0,0,0|2,0,0]=4 226 B9R0.47 CCCCOC(=O)C(C)Cl SBB056574 [0,2,0,0,0,0|1,0,1]=4 227 B9R0.47 CCCCOC(=O)C(C)O SBB061171 [0,2,0,0,0,0|0,0,2]=4 228 B9R0.15 CCCN(CCC)C(C)=O SBB008474 [0,2,0,0,0,0|2,0,0]=4 229 B9R0.57 C=C(C)C(=O)NC(C)(C)C SBB007809 [0,2,0,0,0,0|2,0,0]=4 230 B7R1.1 O=CC1CCCC1 SBB069481 [1,0,0,1,0,0|1,0,1]=4 231 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.3 O=C1C=CCCC1 SBB008209 [1,0,0,1,0,0|0,0,1]=3 233 B7R1.3 O=C1CCCCC1 SBB060074 [1,0,0,1,0,0|0,0,1]=3 234 B7R1.3 O=C1CCCCO1 SBB060349 [1,0,0,1,0,0|1,0,0]=3 235 B7R1.3 O=C1CCOCC1 SBB049627 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.3 O=C1CCSCC1 SBB048121 [1,0,0,1,0,0|1,0,1]=4 237 B7R1.3 O=C1CNCCN1 SBB000034 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.4 CN1CCCC1=O SBB060297 [1,0,0,1,0,0|1,0,0]=3 239 B7R1.22 COC(=O)C1CN1 SBB054042 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.22 NNC(=O)C1CC1 SBB021014 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.22 O=C(CBr)C1CC1 SBB051680 [1,0,0,1,0,0|1,0,1]=4 242 B7R1.20 O=C(O)CC1CC1 SBB005442 [1,0,0,1,0,0|1,0,1]=4 243 B9R1.7 CCCC1=NNC(=O)C1 SBB116793 [0,0,0,1,0,1|2,0,0]=4 244 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [0,0,0,1,0,1|1,0,1]=4 245 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [0,0,0,1,0,1|1,0,1]=4 246 B9R1.22 CCC1SC(N)=NC1=O SBB014778 [0,0,0,1,0,1|1,1,0]=4 247 B9R1.34 CC1=CC(O)CC(=O)O1 SBB055955 [0,0,0,1,0,1|2,0,0]=4 248 B9R1.34 CC1CC(=O)CC(=O)C1 SBB042020 [0,0,0,1,0,1|0,0,0]=2 249 B9R1.34 CC1CC(=O)CC(C)O1 SBB056218 [0,0,0,1,0,1|0,0,2]=4 250 B9R1.34 CC1CC(=O)NC(=O)N1 SBB007701 [0,0,0,1,0,1|1,0,0]=3 251 B9R1.34 CC1CC(=O)NC(S)=N1 SBB059861 [0,0,0,1,0,1|1,1,0]=4 252 B9R1.41 CC(=O)C1CCOC1=O SBB040834 [0,0,0,1,0,1|1,0,0]=3 253 B9R1.41 CC(=O)N1CCCC1=O SBB007922 [0,0,0,1,0,1|0,0,0]=2 254 B9R1.48 O=C1CCCCC(=O)C1 SBB056238 [0,0,0,1,0,1|0,0,0]=2 255 B9R1.3 CC1CCCC(C)C1=O SBB059688 [0,1,0,1,0,0|1,0,1]=4 256 B9R1.3 CN1CCCN(C)C1=O SBB058374 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.3 O=C1CCCC(=O)C1Br SBB038106 [0,1,0,1,0,0|1,0,1]=4 258 B9R1.5 CN1CCCCCC1=O SBB056535 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.5 NC1CCCCNC1=O SBB056282 [0,1,0,1,0,0|1,0,1]=4 260 B9R1.5 O=C1CCCCCN1Br SBB057855 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.11 COC(=O)C1CCCC1 SBB071502 [0,1,0,1,0,0|1,0,1]=4 262 B9R1.11 COC(=O)C1CCCN1 SBB046302 [0,1,0,1,0,0|1,0,1]=4 263 B9R1.11 COC(=O)C1CCCN1 SBB054027 [0,1,0,1,0,0|1,0,1]=4 264 B9R1.11 COC(=O)[C@@H]1CCCN1 SBB003904 [0,1,0,1,0,0|1,0,1]=4 265 B9R1.11 O=C(CCl)N1CCCC1 SBB005370 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.15 O=C1CCCCC1CO SBB054864 [0,1,0,1,0,0|0,0,2]=4 267 B9R1.69 CC1CN(C)CCC1=O SBB001724 [0,1,0,1,0,0|1,0,1]=4 268 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.6 CC(=O)N1CCNCC1 SBB027339 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.23 CN1CC(CO)CC1=O SBB054853 [0,1,0,1,0,0|2,0,0]=4 272 B9R2.39 O=C1CC2CCC1C2 SBB072159 [0,0,0,2,0,0|1,0,1]=4 273 B9R2.87 O=C(C1CC1)C2CC2 SBB059424 [0,0,0,2,0,0|1,0,1]=4 274 B9R0.48 CC(=O)NNC(=O)CC#N SBB023429 [0,0,0,0,0,2|1,0,1]=4 275 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,0,0,0,0,2|0,0,0]=2 276 B9R0.48 CCCC(=O)OCC(C)C SBB061108 [0,0,0,0,0,2|1,0,1]=4 277 B9R0.48 CCNC(=O)\C=C/C(=O)O SBB028463 [0,0,0,0,0,2|2,0,0]=4 278 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [0,0,0,0,0,2|1,0,0]=3 279 B9R0.48 CCOC(=O)CNC(N)=O SBB086470 [0,0,0,0,0,2|2,0,0]=4 280 B9R0.48 CCOC(=O)\C=C\C(=O)O SBB065780 [0,0,0,0,0,2|2,0,0]=4