0 B9R0.24 COC(=O)C#CC(=O)OC SBB065774 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.24 COC(=O)CCC(=O)OC SBB040934 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.24 COC(=O)\C=C\C(=O)OC SBB008222 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.24 NNC(=O)CCC(=O)NN SBB008164 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.6 CCCCCC(=O)CC SBB060388 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.6 CCCCCC(=O)OC SBB060591 [1,0,0,0,0,0|1,0,1]=3 6 B8R0.6 COC(=O)CCCCBr SBB070759 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.9 CNC(=O)CCC(=O)O SBB007999 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.9 COC(=O)CCC(=O)O SBB061270 [1,0,0,0,0,0|0,0,0]=1 10 B8R0.9 COC(=O)\C=C\C(=O)O SBB065854 [1,0,0,0,0,0|0,0,2]=3 11 B8R0.9 NCC(=O)CCC(=O)O SBB003880 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.9 NCC(=O)CCC(=O)O SBB071696 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.9 NCC(=O)NCC(=O)O SBB067231 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.9 OC(=O)\C=C/C(=O)NC SBB005847 [1,0,0,0,0,0|1,0,2]=4 15 B10R0.45 COC(=O)CN=C(SC)SC SBB057826 [0,1,0,0,0,0|1,2,0]=4 16 B10R0.46 C=C(CC(=O)OC)C(=O)OC SBB087286 [0,1,0,0,0,0|0,0,1]=2 17 B10R0.46 [NH3+]C(CC(=O)OC)C(=O)OC SBB061665 [0,1,0,0,0,0|0,0,0]=1 18 B10R0.108 CCOC(=O)CNC(=O)CCl SBB003757 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.14 COC(=O)C1CNC(=O)C1 SBB086281 [0,0,0,1,0,0|1,0,0]=2 20 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 SBB062937 [0,0,0,1,0,0|2,0,0]=3 21 B8R0.19 CCC(=O)OC(=O)CC SBB060267 [0,0,0,0,1,0|3,0,0]=4 22 B8R0.19 CN\C(C)=C/C(=O)OC SBB037868 [0,0,0,0,1,0|2,0,1]=4 23 B8R0.19 COC(=O)CC(=O)CCl SBB061676 [0,0,0,0,1,0|2,0,0]=3 24 B10R0.59 COC(=O)CCCC(=O)OC SBB058680 [0,0,0,0,0,1|0,0,0]=1 25 B10R0.59 COC(=O)CNCC(=O)OC SBB058638 [0,0,0,0,0,1|0,0,0]=1 26 B10R0.59 COC(=O)COCC(=O)OC SBB060770 [0,0,0,0,0,1|0,0,0]=1 27 B10R0.59 COC(=O)CSCC(=O)OC SBB072408 [0,0,0,0,0,1|0,0,0]=1 28 B7R0.3 CNCCC(=O)NC SBB046578 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.3 CNCCC(=O)NC SBB080433 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.3 N(N)C(=O)CCOC SBB059492 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.4 CCCCCC(=O)O SBB053586 [2,0,0,0,0,0|1,0,1]=4 32 B7R0.4 CCCCCC(C)=O SBB061125 [2,0,0,0,0,0|1,0,1]=4 33 B7R0.4 CCOCCC(=O)O SBB053607 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.4 COCCOC(C)=O SBB060999 [2,0,0,0,0,0|1,0,1]=4 35 B7R0.4 OC(=O)C\C=C/CC SBB006610 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.6 CC(=O)CCC(=O)O SBB040561 [2,0,0,0,0,0|0,0,0]=2 37 B7R0.6 CC(=O)CCC(C)=O SBB040811 [2,0,0,0,0,0|0,0,0]=2 38 B7R0.6 CC(=O)NCC(=O)O SBB036034 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.6 CC(=O)NNC(C)=O SBB067157 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.6 CC(C)CCC(=O)O SBB065829 [2,0,0,0,0,0|1,0,1]=4 41 B7R0.6 O=C(Cl)CCC(=O)Cl SBB061367 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.6 O=C(O)C#CC(=O)O SBB059645 [2,0,0,0,0,0|0,0,2]=4 43 B7R0.6 O=C(O)CCC(=O)O SBB040562 [2,0,0,0,0,0|0,0,0]=2 44 B7R0.6 O=C(O)\C=C/C(=O)O SBB040567 [2,0,0,0,0,0|0,0,2]=4 45 B7R0.6 O=C(O)\C=C\C(=O)O SBB008547 [2,0,0,0,0,0|0,0,2]=4 46 B9R0.5 CCCCCC(=O)OCC SBB060316 [1,1,0,0,0,0|1,0,1]=4 47 B9R0.8 COC(=O)C(N)CCSC SBB003548 [1,1,0,0,0,0|0,1,1]=4 48 B9R0.8 N[C@@H](CCSC)C(=O)OC SBB005764 [1,1,0,0,0,0|0,1,1]=4 49 B9R0.46 CCCCCCC(=O)OC SBB060317 [1,1,0,0,0,0|1,0,1]=4 50 B9R0.46 COC(=O)CCCCCN SBB003739 [1,1,0,0,0,0|1,0,1]=4 51 B9R0.7 CC(S)C(=O)NCC(=O)O SBB057668 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.7 CN(C)C(=O)CCC(=O)O SBB008073 [1,1,0,0,0,0|1,0,0]=3 53 B9R0.7 O=C(O)CCC(=O)C(=O)O SBB056419 [1,1,0,0,0,0|2,0,0]=4 54 B9R0.23 COC(=O)C(=O)CC(C)=O SBB004133 [1,1,0,0,0,0|0,0,1]=3 55 B9R0.23 COC(=O)C(C)CN(C)C SBB047158 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.23 COC(=O)[C@@H](N)CC(C)C SBB302662 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.23 O=C(O)CC(Br)C(=O)CBr SBB074340 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.42 COC(=O)C[C@H](N)C(=O)O SBB065788 [1,1,0,0,0,0|0,0,0]=2 59 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [1,1,0,0,0,0|1,0,0]=3 60 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [1,1,0,0,0,0|1,0,0]=3 61 B9R0.48 CCOC(=O)CNC(N)=O SBB086470 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.48 CCOC(=O)\C=C\C(=O)O SBB065780 [1,1,0,0,0,0|0,0,2]=4 63 B9R0.48 OC(=O)CSC(=S)OCC SBB058117 [1,1,0,0,0,0|1,1,0]=4 64 B9R0.27 C=C(OC)C(N)C(=O)OC SBB059282 [0,1,0,0,1,0|1,0,0]=3 65 B9R0.27 COC(=O)C(F)C(=O)OC SBB086684 [0,1,0,0,1,0|0,0,0]=2 66 B9R0.27 COC(=O)C(N)C(=O)OC SBB054110 [0,1,0,0,1,0|0,0,0]=2 67 B11R0.110 COC(=O)CC(=O)CC(=O)OC SBB061652 [0,1,0,0,0,1|0,0,0]=2 68 B11R0.110 COC(=O)CC(O)CC(=O)OC SBB072706 [0,1,0,0,0,1|0,0,0]=2 69 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC SBB058154 [0,1,0,0,0,1|0,0,0]=2 70 B11R0.43 CCOC(=O)C(=O)CC(=O)CC SBB026562 [0,2,0,0,0,0|1,0,1]=4 71 B11R0.66 COC(=O)C(Br)C(Br)C(=O)OC SBB008416 [0,2,0,0,0,0|0,0,0]=2 72 B11R0.117 COC(=O)C(=O)CC(=O)C(C)C SBB026105 [0,2,0,0,0,0|1,0,1]=4 73 B11R0.62 CCOC(=O)C#CC(=O)OCC SBB065773 [0,2,0,0,0,0|0,0,2]=4 74 B11R0.62 CCOC(=O)CCC(=O)OCC SBB040923 [0,2,0,0,0,0|0,0,0]=2 75 B11R0.62 CCOC(=O)CSC(=O)OCC SBB054128 [0,2,0,0,0,0|1,0,0]=3 76 B11R0.62 CCOC(=O)NNC(=O)OCC SBB069555 [0,2,0,0,0,0|2,0,0]=4 77 B11R0.62 CCOC(=O)\C=C/C(=O)OCC SBB060698 [0,2,0,0,0,0|0,0,2]=4 78 B9R1.11 COC(=O)C1CCCC1 SBB071502 [1,0,0,1,0,0|1,0,1]=4 79 B9R1.35 O=C1CCC(C(=O)O)C1 SBB069114 [1,0,0,1,0,0|1,0,0]=3 80 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SBB004232 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.35 O=C1N[C@H](C(=O)O)CS1 SBB004097 [1,0,0,1,0,0|1,1,0]=4 82 B9R1.48 O=C1CCCCC(=O)C1 SBB056238 [0,0,0,1,1,0|2,0,0]=4 83 B11R1.22 COC(=O)C1=NNC(=O)CC1 SBB079247 [0,0,0,1,0,1|2,0,0]=4 84 B11R1.226 CNC(=O)C1CC(=O)N(C)C1 SBB008089 [0,1,0,1,0,0|2,0,0]=4 85 B11R1.226 COC(=O)C1CC(=O)N(C)C1 SBB054021 [0,1,0,1,0,0|1,0,0]=3 86 B11R1.15 CCOC(=O)C1=NOC(=O)C1 SBB073481 [0,1,0,1,0,0|1,0,1]=4 87 B11R1.15 N1C(=O)CC[C@@H]1C(=O)OCC SBB017510 [0,1,0,1,0,0|2,0,0]=4 88 B11R1.15 N1C(=O)CC[C@H]1C(=O)OCC SBB017516 [0,1,0,1,0,0|2,0,0]=4 89 B7R0.2 COC(=O)CC(C)=O SBB060889 [1,0,0,0,1,0|0,0,0]=2 90 B7R0.2 COC(=O)C[N+](=O)[O-] SBB001681 [1,0,0,0,1,0|1,0,1]=4 91 B7R0.2 COC(=O)\C=C(\C)N SBB061677 [1,0,0,0,1,0|1,0,1]=4 92 B7R0.10 CNC(=O)C(=O)NC SBB007883 [0,0,0,0,2,0|2,0,0]=4 93 B7R0.10 COC(=O)C(=O)OC SBB040902 [0,0,0,0,2,0|0,0,0]=2 94 B11R0.106 COC(=O)CCCCC(=O)OC SBB041006 [0,0,0,0,0,2|0,0,0]=2 95 B11R0.106 COC(=O)CCSCC(=O)OC SBB007663 [0,0,0,0,0,2|0,0,0]=2