0 B8R0.23 CC(=O)CC(=O)N(C)C SBB007704 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.23 CC(C)CC(N)C(N)=O SBB000156 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.23 CC(C)CC(N)C(N)=O SBB072626 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.23 CC(C)CC(O)C(C)C SBB116858 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.23 CC(C)C[C@@H](N)C(=O)O SBB006736 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.23 CC(C)C[C@H](O)C(=O)O SBB065948 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.23 CC(C)OC(=O)[C@@H](C)N SBB070143 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.23 CC(C)OC(C)C(=O)[O-] SBB080489 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.23 O=C(O)CC(=O)C(=O)O SBB065751 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.2 CC(C)CC(=O)NN SBB021012 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.2 CC(C)NC(=O)CBr SBB051007 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.2 CC(C)NC(=O)CCl SBB016573 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.2 CC(C)NC(=O)CN SBB085357 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.2 CC(C)OC(=O)CCl SBB040600 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.2 CC(C)OC(=O)CS SBB061230 [1,0,0,0,0,0|1,1,1]=4 15 B7R0.2 CC(O)CC(=O)NN SBB072890 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.2 CCC(=O)OC(C)C SBB061101 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.2 COC(=O)CC(C)=O SBB060889 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.5 C=C(C)C(=O)OCC SBB061402 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.5 CCCC(=O)N(C)C SBB008345 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.5 CCCC(Br)C(=O)O SBB065976 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.5 CCCC(C)C(=O)O SBB065915 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.5 CCOC(=O)C(C)Br SBB058608 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.5 CCOC(=O)C(C)C SBB060711 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.5 CCOC(=O)C(C)N SBB004040 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.5 CCOC(=O)C(N)=S SBB056420 [1,0,0,0,0,0|2,1,0]=4 28 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.5 CN(C)C(=O)CCN SBB085472 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.6 CC(=O)CCC(C)=O SBB040811 [1,0,0,0,0,0|1,0,2]=4 31 B7R0.6 CC(C)CCC(=O)O SBB065829 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.6 CC(C)CCC(C)N SBB008544 [1,0,0,0,0,0|1,0,2]=4 33 B7R0.6 CC(C)CCC(C)O SBB061318 [1,0,0,0,0,0|0,0,3]=4 34 B7R0.6 CC(C)CNC(C)C SBB046539 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.6 CC(C)CNC(N)=O SBB008242 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [1,0,0,0,0,0|1,0,1]=3 37 B9R0.23 COC(=O)C(=O)CC(C)=O SBB004133 [0,1,0,0,0,0|1,0,1]=3 38 B9R0.23 COC(=O)C(C)CN(C)C SBB047158 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.23 COC(=O)[C@@H](N)CC(C)C SBB302662 [0,1,0,0,0,0|1,0,1]=3 40 B9R0.57 C=C(C)C(=O)NC(C)(C)C SBB007809 [0,1,0,0,0,0|2,0,0]=3 41 B9R0.57 C=C(F)C(=O)OC(C)(C)C SBB086489 [0,1,0,0,0,0|2,0,1]=4 42 B9R0.57 CC(=O)C(C)NC(C)(C)C SBB002891 [0,1,0,0,0,0|2,0,1]=4 43 B9R1.69 CC1CN(C)CCC1=O SBB001724 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.112 N[C@@H](CC1CC1)C(=O)O SBB065934 [0,0,0,1,0,0|2,0,1]=4 45 B7R0.16 CC(Br)C(=O)C(C)Br SBB070869 [0,0,0,0,1,0|2,0,1]=4 46 B7R0.16 CC(C)C(N)C(N)=O SBB017492 [0,0,0,0,1,0|2,0,1]=4 47 B7R0.16 CC(C)[C@@H](N)C(=O)O SBB006709 [0,0,0,0,1,0|2,0,1]=4 48 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [0,0,0,0,1,0|1,0,2]=4 49 B7R0.16 CC(C)[C@H](Br)C(=O)O SBB065818 [0,0,0,0,1,0|2,0,1]=4 50 B7R0.16 CC(C)[C@H](N)C(N)=O SBB056426 [0,0,0,0,1,0|2,0,1]=4 51 B7R0.16 CN(C)C(=O)N(C)C SBB060410 [0,0,0,0,1,0|3,0,0]=4 52 B9R0.7 CC(C)COC(=O)C(C)C SBB061112 [0,0,0,0,0,1|1,0,1]=3 53 B9R0.7 CC(C)COC(=O)C(C)Cl SBB061232 [0,0,0,0,0,1|1,0,1]=3 54 B9R0.7 CC(C)COC(=O)C(C)O SBB061172 [0,0,0,0,0,1|0,0,2]=3 55 B9R0.53 CC(=O)CC(=O)OC(C)C SBB061713 [0,0,0,0,0,1|1,0,0]=2 56 B6R0.1 C=CC(=O)OCC SBB060348 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.1 CCCC(=O)CC SBB061496 [2,0,0,0,0,0|0,0,1]=3 58 B6R0.1 CCCC(=O)NN SBB028175 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.1 CCCC(=O)OC SBB061104 [2,0,0,0,0,0|1,0,0]=3 60 B6R0.1 CCOC(=O)CC SBB060312 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.1 COC(=O)CCBr SBB070709 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.1 COC(=O)CCN SBB071679 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.2 CC(=O)C=C(C)C SBB040870 [2,0,0,0,0,0|0,0,2]=4 64 B6R0.2 CC(=O)CC(C)=O SBB009914 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.2 CC(=O)CC(C)C SBB060384 [2,0,0,0,0,0|0,0,0]=2 66 B6R0.2 CC(C)CC(=O)Cl SBB040623 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.2 CC(C)CC(C)Br SBB007950 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.2 CC(C)CC(C)O SBB061337 [2,0,0,0,0,0|0,0,2]=4 69 B6R0.2 CC(C)CC(N)=O SBB028167 [2,0,0,0,0,0|1,0,0]=3 70 B6R0.2 CC(O)CC(=O)O SBB065815 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.2 CN(C)CC(=O)O SBB065779 [2,0,0,0,0,0|1,0,1]=4 72 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.4 C=COCC(C)C SBB060157 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.4 CC(=O)NCCCl SBB008165 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.4 CC(=O)NCCN SBB028176 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.4 CC(=O)NCCO SBB007954 [2,0,0,0,0,0|2,0,0]=4 77 B6R0.4 CC(=O)OCCCl SBB058505 [2,0,0,0,0,0|2,0,0]=4 78 B6R0.4 CC(C)COC=O SBB061244 [2,0,0,0,0,0|1,0,0]=3 79 B6R0.4 CCC#CC(C)=O SBB009086 [2,0,0,0,0,0|0,0,2]=4 80 B6R0.4 CCCCC(=O)O SBB053585 [2,0,0,0,0,0|1,0,1]=4 81 B6R0.4 CCCCC(C)=O SBB061262 [2,0,0,0,0,0|0,0,1]=3 82 B6R0.4 CCCCC(N)=O SBB028169 [2,0,0,0,0,0|1,0,1]=4 83 B6R0.4 CCCNC(N)=O SBB028174 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.4 CCCOC(C)=O SBB060305 [2,0,0,0,0,0|1,0,0]=3 85 B6R0.4 CCCOC(N)=O SBB000036 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.4 CC\C=C\C(=O)O SBB061994 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.3 C=C(C)C(=O)OC SBB060556 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.3 CCC(=O)C(C)=O SBB061626 [2,0,0,0,0,0|0,0,0]=2 89 B6R0.3 O=C(O)C(=O)CBr SBB053571 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.3 O=C(O)C(=O)CBr SBB053584 [2,0,0,0,0,0|2,0,0]=4 91 B8R0.2 COC(=O)C(N)C(C)C SBB003876 [1,1,0,0,0,0|1,0,0]=3 92 B8R0.2 COC(=O)[C@@H](N)C(C)C SBB302661 [1,1,0,0,0,0|1,0,0]=3 93 B8R0.5 CCCC(=O)OC(C)C SBB061106 [1,1,0,0,0,0|1,0,1]=4 94 B8R0.5 CCOC(=O)CC(C)C SBB061114 [1,1,0,0,0,0|0,0,1]=3 95 B8R0.5 CCOC(=O)CC(C)N SBB108871 [1,1,0,0,0,0|1,0,1]=4 96 B8R0.19 CCC(=O)OC(C)CC SBB061103 [1,1,0,0,0,0|1,0,1]=4 97 B8R0.24 C=CC(=O)NC(C)(C)C SBB008122 [1,1,0,0,0,0|1,0,1]=4 98 B8R0.24 CC(C)(C)CC(=O)NN SBB021013 [1,1,0,0,0,0|2,0,0]=4 99 B8R0.24 CCC(=O)NC(C)(C)C SBB060291 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.24 CNC(=O)OC(C)(C)C SBB085461 [1,1,0,0,0,0|2,0,0]=4 101 B8R0.3 CCOC(=O)C(=O)CBr SBB054095 [1,1,0,0,0,0|1,0,0]=3 102 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [1,1,0,0,0,0|1,0,0]=3 103 B8R0.8 C=C(C)C(=O)OCCF SBB085807 [1,1,0,0,0,0|2,0,0]=4 104 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [1,1,0,0,0,0|0,0,0]=2 105 B8R0.8 CCCCC(=O)N(C)C SBB007992 [1,1,0,0,0,0|2,0,0]=4 106 B8R0.8 CCCCC(N)C(C)=O SBB014561 [1,1,0,0,0,0|1,0,1]=4 107 B8R0.8 CCCOC(=O)C(C)Cl SBB060963 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.9 CC(C)COC(=O)CCl SBB060938 [1,1,0,0,0,0|1,0,0]=3 109 B8R0.9 CC(C)COC(=O)CS SBB061005 [1,1,0,0,0,0|1,0,0]=3 110 B8R0.9 CCC(=O)OCC(C)C SBB060974 [1,1,0,0,0,0|1,0,0]=3 111 B8R0.9 COC(=O)\C=C\C(C)C SBB061964 [1,1,0,0,0,0|0,0,1]=3 112 B8R0.29 CC(C)(N)CCC(=O)O SBB019066 [1,1,0,0,0,0|1,0,1]=4 113 B8R0.18 CNC(C(C)=O)C(C)C SBB002847 [0,1,0,0,1,0|1,0,1]=4 114 B8R0.27 CC(C)(C)C(=O)C(=O)O SBB065803 [0,1,0,0,1,0|1,0,0]=3 115 B10R0.12 CC(C)COC(=O)C(C)(Cl)Cl SBB056715 [0,1,0,0,0,1|1,0,1]=4 116 B10R0.93 CC(C)C(=O)CC(=O)C(C)C SBB056494 [0,1,0,0,0,1|1,0,1]=4 117 B10R0.31 CC(=O)CC(=O)OC(C)(C)C SBB061634 [0,1,0,0,0,1|1,0,0]=3 118 B10R0.31 CC(C)(C)OC(=O)CC(=O)O SBB067260 [0,1,0,0,0,1|2,0,0]=4 119 B10R0.32 CCOC(=O)C(=O)CC(C)=O SBB008612 [0,2,0,0,0,0|1,0,1]=4 120 B10R0.32 CCOC(=O)C(N)CC(C)C SBB048376 [0,2,0,0,0,0|1,0,1]=4 121 B10R0.56 COC(=O)C(=O)C(Cl)C(C)=O SBB023300 [0,2,0,0,0,0|1,0,1]=4 122 B10R0.23 CC(C)C[C@H](NC=O)C(=O)O SBB067226 [0,2,0,0,0,0|1,0,1]=4 123 B8R1.5 CC1=C(C)CCCC1 SBB060472 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.5 CC1CCCCC1=O SBB058517 [1,0,0,1,0,0|1,0,1]=4 125 B8R1.5 O=C1CCCCC1Cl SBB061548 [1,0,0,1,0,0|1,0,1]=4 126 B8R1.5 O=C1NCCNC1=O SBB079701 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.3 CN1CCC(=O)CC1 SBB080527 [1,0,0,1,0,0|1,0,1]=4 128 B8R1.3 O=C1CCC(O)CC1 SBB056283 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.77 CC1(C)CC1C(=O)O SBB053459 [1,0,0,1,0,0|1,0,1]=4 130 B8R1.77 CC1(C)CC1C(N)=O SBB056262 [1,0,0,1,0,0|1,0,1]=4 131 B10R1.205 C=C(C)C(=O)OCC1CO1 SBB081273 [0,0,0,1,0,1|2,0,0]=4 132 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 SBB058429 [0,0,0,1,0,1|1,0,0]=3 133 B10R1.329 CC1(C)CC(=O)C=C(N)C1 SBB082967 [0,0,0,1,0,1|1,0,0]=3 134 B10R1.329 CC1(C)CC(=O)CC(=O)C1 SBB058731 [0,0,0,1,0,1|0,0,0]=2 135 B10R1.329 CC1(C)OC(=O)CC(=O)O1 SBB071729 [0,0,0,1,0,1|2,0,0]=4 136 B10R1.63 CC1CNC(C)(C)C(=O)C1 SBB002833 [0,1,0,1,0,0|1,0,1]=4 137 B8R0.28 CC(=O)OCCC(C)C SBB040873 [1,0,0,0,0,1|0,0,1]=3 138 B8R0.28 CC(=O)\C=C\C=C(C)C SBB008066 [1,0,0,0,0,1|0,0,2]=4 139 B8R0.28 CC(C)=CCCC(C)O SBB008067 [1,0,0,0,0,1|2,0,0]=4 140 B8R0.28 CC(C)CCCC(=O)O SBB072713 [1,0,0,0,0,1|1,0,1]=4