0 B8R0.14 CC(C)(C)C(=O)CC#N SBB008437 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.14 CCOC(=O)C(F)(Br)Br SBB102730 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.14 CCOC(=O)C(F)(F)Br SBB093033 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.14 CCOC(=O)C(F)(F)Cl SBB087321 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.14 CCOC(=O)C(F)(F)F SBB008466 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.14 CCOC(=O)C(F)(F)I SBB100668 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.14 CCSC(=O)C(F)(F)F SBB087272 [0,0,0,0,0,0|3,1,0]=4 7 B8R0.14 CNCC(=O)C(C)(C)C SBB002868 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.5 C=C(C)C(=O)OCC SBB061402 [1,0,0,0,0,0|0,0,2]=3 9 B7R0.5 CCCC(=O)N(C)C SBB008345 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.5 CCOC(=O)C(C)Br SBB058608 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.5 CCOC(=O)C(C)C SBB060711 [1,0,0,0,0,0|0,0,0]=1 12 B7R0.5 CCOC(=O)C(C)N SBB004040 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.5 CCOC(=O)C(F)Br SBB070746 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.5 CCOC(=O)C(F)I SBB097841 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.5 CCOC(=O)C(N)=S SBB056420 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.5 CN(C)C(=O)CCN SBB085472 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.8 CCNCC(C)(C)C SBB080378 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.14 CC(C)(C)C(=O)CBr SBB006551 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.14 CC(C)(C)C(=O)CCl SBB006668 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.14 CC(C)(C)C(=O)NN SBB017628 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.14 CC(C)(O)C(=O)NN SBB073233 [1,0,0,0,0,0|2,1,0]=4 22 B7R0.14 CCC(O)C(C)(C)C SBB008540 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.14 CNC(=O)C(C)(C)C SBB007942 [1,0,0,0,0,0|2,0,0]=3 24 B9R0.3 CCCOC(=O)C(C)(Cl)Cl SBB056564 [0,1,0,0,0,0|2,0,0]=3 25 B9R0.3 CCCOC(=O)C(Cl)(Cl)Cl SBB061234 [0,1,0,0,0,0|3,0,0]=4 26 B9R0.10 CC(C)OC(=O)C(F)(F)F SBB087113 [0,1,0,0,0,0|3,0,0]=4 27 B9R0.19 CCOC(=O)C(C)(C)C#N SBB050264 [0,1,0,0,0,0|1,0,0]=2 28 B9R0.19 CCOC(=O)C(C)(C)CCl SBB087854 [0,1,0,0,0,0|1,0,0]=2 29 B9R1.40 CC1(C)NCCNC1=O SBB010254 [0,0,0,1,0,0|2,0,0]=3 30 B9R0.44 CC(C)(C)OC(=O)CCN SBB070260 [0,0,0,0,0,1|3,0,0]=4 31 B9R0.44 CCOC(=O)CC(C)(C)C SBB116857 [0,0,0,0,0,1|1,0,0]=2 32 B9R0.44 CCOC(=O)CC(F)(F)F SBB087112 [0,0,0,0,0,1|3,0,0]=4 33 B9R0.44 CCOC(=O)CS(C)(=O)=O SBB059048 [0,0,0,0,0,1|2,1,0]=4 34 B6R0.1 C#CC(=O)OCC SBB060344 [2,0,0,0,0,0|0,0,2]=4 35 B6R0.1 C=CC(=O)OCC SBB060348 [2,0,0,0,0,0|0,0,2]=4 36 B6R0.1 CCCC(=O)CC SBB061496 [2,0,0,0,0,0|1,0,0]=3 37 B6R0.1 CCCC(=O)OC SBB061104 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.1 CCNC(=O)CBr SBB051008 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.1 CCNC(=O)CCl SBB008200 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.1 CCOC(=O)CBr SBB060995 [2,0,0,0,0,0|1,0,0]=3 41 B6R0.1 CCOC(=O)CC SBB060312 [2,0,0,0,0,0|0,0,0]=2 42 B6R0.1 CCOC(=O)NN SBB028182 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [2,0,0,0,0,0|1,0,0]=3 44 B6R0.3 C=C(C)C(=O)OC SBB060556 [2,0,0,0,0,0|0,0,2]=4 45 B6R0.3 CC(C)C(=O)NN SBB030401 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.3 CCC(=O)C(C)=O SBB061626 [2,0,0,0,0,0|0,1,1]=4 47 B6R0.3 CCC(C)C(C)C SBB061452 [2,0,0,0,0,0|1,0,1]=4 48 B6R0.3 CN(C)C(=O)CCl SBB038711 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.3 COC(=O)C(C)C SBB061111 [2,0,0,0,0,0|0,0,0]=2 50 B6R0.3 COC(=O)C(C)N SBB007634 [2,0,0,0,0,0|1,0,0]=3 51 B6R0.3 COC(=O)C(F)F SBB021971 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.4 CCOCC(C)O SBB061006 [2,0,0,0,0,0|0,1,1]=4 53 B6R0.5 CCCC(C)(C)N SBB052122 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.5 CCNC(C)(C)C SBB052124 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.7 CC(=O)C(C)(C)C SBB060385 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.7 CC(=O)C(C)(C)Cl SBB008903 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.7 CC(=O)C(C)(C)N SBB013635 [2,0,0,0,0,0|1,0,0]=3 58 B6R0.7 CC(C)(Br)C(=O)O SBB065985 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.7 CC(C)(C)C(=O)Cl SBB060922 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.7 CC(C)(C)C(N)=O SBB028170 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.7 CC(C)(N)C(=O)O SBB028178 [2,0,0,0,0,0|1,0,0]=3 62 B6R0.7 CC(C)(O)C(=O)O SBB065771 [2,0,0,0,0,0|0,1,0]=3 63 B8R0.3 CCOC(=O)C(=O)CBr SBB054095 [1,1,0,0,0,0|0,1,1]=4 64 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [1,1,0,0,0,0|0,1,1]=4 65 B8R0.3 CCOC(=O)C(Br)CC SBB070758 [1,1,0,0,0,0|1,0,0]=3 66 B8R0.3 CCOC(=O)C(Cl)C=O SBB054117 [1,1,0,0,0,0|1,0,1]=4 67 B8R0.3 CCOC(=O)C(N)CC SBB072718 [1,1,0,0,0,0|1,0,0]=3 68 B8R0.3 CCOC(=O)[C@@H](N)CS SBB065777 [1,1,0,0,0,0|1,0,0]=3 69 B8R0.8 C=C(C)C(=O)OCCF SBB085807 [1,1,0,0,0,0|0,0,2]=4 70 B8R0.8 CC(O)C(=O)NCCO SBB008212 [1,1,0,0,0,0|1,1,0]=4 71 B8R0.8 CCCCC(=O)N(C)C SBB007992 [1,1,0,0,0,0|2,0,0]=4 72 B8R0.8 CCCOC(=O)C(C)Cl SBB060963 [1,1,0,0,0,0|1,0,0]=3 73 B8R0.23 CC(C)OC(=O)[C@@H](C)N SBB070143 [1,1,0,0,0,0|1,0,0]=3 74 B8R0.13 COC(=O)C(C)(Br)CBr SBB080573 [1,1,0,0,0,0|1,0,0]=3 75 B10R0.28 CC(C)(C)OC(=O)CCCBr SBB070815 [0,1,0,0,0,1|2,0,0]=4 76 B10R0.28 CC(C)(C)OC(=O)NCCBr SBB096602 [0,1,0,0,0,1|2,0,0]=4 77 B10R0.28 CC(C)(C)OC(=O)NCCN SBB028340 [0,1,0,0,0,1|2,0,0]=4 78 B10R0.28 CC(C)(C)OC(=O)NCCO SBB049624 [0,1,0,0,0,1|2,0,0]=4 79 B10R0.28 CC(C)(C)OC(=O)NCCS SBB089310 [0,1,0,0,0,1|2,0,0]=4 80 B10R0.37 CCC(Br)C(=O)OC(C)(C)C SBB070816 [0,1,0,0,0,1|2,0,0]=4 81 B10R0.5 CCCCOC(=O)C(C)(Cl)Cl SBB056565 [0,2,0,0,0,0|2,0,0]=4 82 B10R0.12 CC(C)COC(=O)C(C)(Cl)Cl SBB056715 [0,2,0,0,0,0|2,0,0]=4 83 B8R1.5 CC1CCCCC1=O SBB058517 [1,0,0,1,0,0|1,0,0]=3 84 B8R1.5 CC1NCCNC1=O SBB080100 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.5 CC1SCCNC1=O SBB111924 [1,0,0,1,0,0|1,0,0]=3 86 B8R1.5 NC1CCCNC1=O SBB012739 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.5 O=C1CCCCC1Cl SBB061548 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.19 CC1(Br)CCOC1=O SBB057373 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.39 COC(=O)C1(N)CC1 SBB069778 [1,0,0,1,0,0|1,0,0]=3 90 B10R1.329 CC1=NC(C)(C)CC(C)O1 SBB116853 [0,0,0,1,0,1|2,0,0]=4 91 B10R1.63 CC1CNC(C)(C)C(=O)C1 SBB002833 [0,1,0,1,0,0|2,0,0]=4 92 B10R1.401 CCOC(=O)C1(N)CCC1 SBB003753 [0,1,0,1,0,0|1,0,0]=3 93 B8R0.5 CCCC(=O)OC(C)C SBB061106 [1,0,0,0,0,1|1,0,0]=3 94 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [1,0,0,0,0,1|0,1,1]=4 95 B8R0.5 CCOC(=O)CC(C)C SBB061114 [1,0,0,0,0,1|0,0,0]=2 96 B8R0.5 CCOC(=O)CC(C)N SBB108871 [1,0,0,0,0,1|1,0,0]=3 97 B8R0.5 CCOC(=O)\C=C(\C)N SBB028236 [1,0,0,0,0,1|1,0,1]=4