0 B9R0.23 CC(C)OC(C)C(=O)NN SBB080112 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.23 COC(=O)C(=O)CC(C)=O SBB004133 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.23 COC(=O)C(C)CN(C)C SBB047158 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.23 COC(=O)[C@@H](N)CC(C)C SBB302662 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.3 COC(=O)C(C)CCCl SBB054131 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.3 COC(=O)[C@@H](N)CSC SBB080950 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.9 CC(C)COC(=O)CCl SBB060938 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.9 CC(C)COC(=O)CS SBB061005 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.9 CC(C)OCC(=O)NN SBB080051 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.9 CCC(=O)OCC(C)C SBB060974 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.9 COC(=O)CCC(=O)O SBB061270 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.9 COC(=O)\C=C\C(C)C SBB061964 [1,0,0,0,0,0|0,0,2]=3 12 B8R0.9 COC(C)OCC(C)C SBB059866 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.23 CC(=O)CC(C)C(=O)O SBB053608 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.23 CC(C)CC(N)C(N)=O SBB000156 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.23 CC(C)CC(N)C(N)=O SBB072626 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.23 CC(C)CC(O)C(C)C SBB116858 [1,0,0,0,0,0|1,0,1]=3 17 B8R0.23 CC(C)C[C@@H](N)C(=O)O SBB006736 [1,0,0,0,0,0|1,0,0]=2 18 B8R0.23 CC(C)C[C@H](O)C(=O)O SBB065948 [1,0,0,0,0,0|0,0,0]=1 19 B8R0.23 CC(C)OC(C)C(=O)[O-] SBB080489 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.23 O=C(O)C[C@H](O)C(=O)O SBB058687 [1,0,0,0,0,0|2,0,1]=4 21 B10R0.32 CCOC(=O)C(N)CC(C)C SBB048376 [0,1,0,0,0,0|1,0,0]=2 22 B10R0.46 [NH3+]C(CC(=O)OC)C(=O)OC SBB061665 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.14 COC(=O)C1CC(O)CN1 SBB012787 [0,0,0,1,0,0|2,0,0]=3 24 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 SBB003740 [0,0,0,1,0,0|2,0,0]=3 25 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 SBB054020 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.22 CC1CC(O)C(C)N(C)C1 SBB002864 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.22 CC1CN(C)CC(C)C1=O SBB002813 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.147 CC1C[N+](C)(C)CCC1=O SBB014697 [0,0,0,1,0,0|3,0,0]=4 29 B8R0.2 COC(=O)C(N)C(C)C SBB003876 [0,0,0,0,1,0|1,0,0]=2 30 B8R0.2 COC(=O)[C@@H](N)C(C)C SBB302661 [0,0,0,0,1,0|1,0,0]=2 31 B10R0.44 CC\C(C)=C\C(C)CC(C)C SBB060470 [0,0,0,0,0,1|3,0,0]=4 32 B7R0.3 C=C(CC)CCCC SBB060475 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.3 CCCCC(=O)NN SBB028196 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.3 CNCCC(=O)NC SBB046578 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.3 CNCCC(=O)NC SBB080433 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.3 COC(=N)CCCCl SBB056505 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.5 CCCC(Br)C(=O)O SBB065976 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.5 CCCC(C)C(=O)O SBB065915 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.5 NC(CCO)C(=O)O SBB065734 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.5 NC(CCS)C(=O)O SBB065757 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.5 NCCC(N)C(=O)O SBB053580 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.5 NCCC(N)C(=O)O SBB066000 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.5 NCCC(O)C(=O)O SBB066010 [2,0,0,0,0,0|1,0,0]=3 46 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.7 CCCC(O)CCC SBB061327 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.10 CCC(Br)C(=O)OC SBB070737 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.10 COC(=O)C(N)CO SBB004026 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.10 COC(=O)C(N)CS SBB054105 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.2 CCC(O)CN(C)C SBB061151 [2,0,0,0,0,0|1,0,1]=4 52 B7R0.4 COCCNC(C)C SBB302570 [2,0,0,0,0,0|1,0,1]=4 53 B7R0.6 CC(=O)CCC(=O)O SBB040561 [2,0,0,0,0,0|1,0,1]=4 54 B7R0.6 CC(=O)CCC(C)=O SBB040811 [2,0,0,0,0,0|1,0,1]=4 55 B7R0.6 CC(C)CCC(=O)O SBB065829 [2,0,0,0,0,0|0,0,0]=2 56 B7R0.6 CC(C)CCC(C)N SBB008544 [2,0,0,0,0,0|1,0,1]=4 57 B7R0.6 CC(C)CCC(C)O SBB061318 [2,0,0,0,0,0|0,0,2]=4 58 B7R0.6 CC(C)CNC(N)=O SBB008242 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [2,0,0,0,0,0|0,0,2]=4 60 B9R0.8 COC(=O)C(N)CCCN SBB072642 [1,1,0,0,0,0|1,0,0]=3 61 B9R0.8 COC(=O)C(N)CCSC SBB003548 [1,1,0,0,0,0|1,0,0]=3 62 B9R0.8 N[C@@H](CCSC)C(=O)OC SBB005764 [1,1,0,0,0,0|1,0,0]=3 63 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC SBB010304 [1,1,0,0,0,0|1,0,0]=3 64 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [1,1,0,0,0,0|1,0,0]=3 65 B9R0.4 CCC#CC(O)CC(C)C SBB009082 [1,1,0,0,0,0|1,0,1]=4 66 B9R0.53 CC(C)CC(O)CC(C)C SBB060165 [1,1,0,0,0,0|1,0,1]=4 67 B9R0.7 CC(C)COC(=O)C(C)C SBB061112 [1,1,0,0,0,0|2,0,0]=4 68 B9R0.7 CC(C)COC(=O)C(C)Cl SBB061232 [1,1,0,0,0,0|2,0,0]=4 69 B9R0.7 CC(C)COC(=O)C(C)O SBB061172 [1,1,0,0,0,0|2,0,0]=4 70 B9R0.21 CCC(=O)CNC(C)(C)C SBB002890 [1,1,0,0,0,0|2,0,0]=4 71 B9R0.24 COC(=O)CCC(=O)OC SBB040934 [1,1,0,0,0,0|1,0,1]=4 72 B9R0.42 COC(=O)CC(=O)C(C)C SBB086341 [1,1,0,0,0,0|0,0,1]=3 73 B9R0.48 CCCC(=O)OCC(C)C SBB061108 [1,1,0,0,0,0|2,0,0]=4 74 B9R0.57 CC(=O)C(C)NC(C)(C)C SBB002891 [1,1,0,0,0,0|2,0,0]=4 75 B11R0.110 COC(=O)CC(O)CC(=O)OC SBB072706 [0,1,0,0,0,1|1,0,1]=4 76 B11R0.117 COC(=O)C(=O)CC(=O)C(C)C SBB026105 [0,1,0,0,0,1|0,0,2]=4 77 B11R0.290 COC(=O)[C@@H](N)COC(C)(C)C SBB070481 [0,1,0,0,0,1|1,0,0]=3 78 B9R1.3 CC1CCCC(C)C1=O SBB059688 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.5 NC1CCCCNC1=O SBB056282 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.11 COC(=O)C1CCCC1 SBB071502 [1,0,0,1,0,0|1,0,0]=3 81 B9R1.11 COC(=O)C1CCCN1 SBB046302 [1,0,0,1,0,0|1,0,0]=3 82 B9R1.11 COC(=O)C1CCCN1 SBB054027 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.11 COC(=O)[C@@H]1CCCN1 SBB003904 [1,0,0,1,0,0|1,0,0]=3 84 B9R1.34 CC1CC(O)CN(C)C1 SBB002820 [1,0,0,1,0,0|1,0,1]=4 85 B9R1.10 CC1(C)COC(=O)OC1 SBB007778 [1,0,0,1,0,0|1,0,0]=3 86 B9R1.112 N[C@@H](CC1CC1)C(=O)O SBB065934 [1,0,0,1,0,0|1,0,0]=3 87 B11R1.22 COC(=O)C1CCC(O)CC1 SBB054036 [0,0,0,1,0,1|2,0,0]=4 88 B11R1.1361 CC1CC(C)(C)CC(=O)C1=O SBB056269 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.15 CCOC(=O)C1CC(O)CN1 SBB010410 [0,1,0,1,0,0|2,0,0]=4 90 B7R0.16 CC(C(=O)O)N(C)C SBB046579 [1,0,0,0,1,0|2,0,0]=4 91 B7R0.16 CC(C)C(N)C(N)=O SBB017492 [1,0,0,0,1,0|2,0,0]=4 92 B7R0.16 CC(C)[C@@H](N)C(=O)O SBB006709 [1,0,0,0,1,0|1,0,0]=3 93 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [1,0,0,0,1,0|0,0,0]=2 94 B7R0.16 CC(C)[C@H](Br)C(=O)O SBB065818 [1,0,0,0,1,0|1,0,0]=3 95 B7R0.16 CC(C)[C@H](N)C(N)=O SBB056426 [1,0,0,0,1,0|2,0,0]=4 96 B7R0.16 CC(O)C(N)C(=O)O SBB061654 [1,0,0,0,1,0|2,0,0]=4 97 B9R0.1 CC(C)CCOC(=O)CCl SBB060961 [1,0,0,0,0,1|2,0,0]=4 98 B9R0.1 COC(=O)\C=C\CC(C)C SBB054119 [1,0,0,0,0,1|0,0,1]=3