0 B9R0.7 CC(C)C(=O)\C=C\N(C)C SBB026106 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.7 CC(C)COC(=O)C(C)C SBB061112 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.7 CC(C)COC(=O)C(C)Cl SBB061232 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.7 CC(C)COC(=O)C(C)O SBB061172 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.8 C=C(C)C(=O)OCCF SBB085807 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.8 CC(O)C(=O)NCCO SBB008212 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.8 CCCCC(=O)N(C)C SBB007992 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.8 CCCOC(=O)C(C)Cl SBB060963 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.9 CC(C)COC(=O)CCl SBB060938 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.9 CC(C)COC(=O)CS SBB061005 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.9 CCC(=O)OCC(C)C SBB060974 [1,0,0,0,0,0|0,0,0]=1 12 B8R0.9 COC(=O)\C=C\C(C)C SBB061964 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.9 COC(C)OCC(C)C SBB059866 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.28 CC(C)=CCCC(C)O SBB008067 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.28 CC(C)CNCC(C)C SBB058770 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.28 CC(C)COCC(C)C SBB061320 [1,0,0,0,0,0|0,0,1]=2 17 B8R0.28 CC(C)COCC(C)O SBB061009 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.28 CC(C)CSCC(C)C SBB061180 [1,0,0,0,0,0|0,1,1]=3 19 B8R0.28 CC(C)N=C=NC(C)C SBB056444 [1,0,0,0,0,0|3,0,0]=4 20 B10R0.12 CC(C)COC(=O)C(C)(Cl)Cl SBB056715 [0,1,0,0,0,0|1,0,0]=2 21 B10R0.93 CC(C)C(=O)CC(=O)C(C)C SBB056494 [0,1,0,0,0,0|1,0,1]=3 22 B10R1.13 CC1CCC(C(C)C)CC1 SBB008406 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.147 CC1C[N+](C)(C)CCC1=O SBB014697 [0,0,0,1,0,0|2,0,0]=3 24 B10R1.205 C=C(C)C(=O)OCC1CO1 SBB081273 [0,0,0,1,0,0|1,0,2]=4 25 B10R1.211 CN(C)\C=C/C(=O)C1CC1 SBB022162 [0,0,0,1,0,0|2,0,1]=4 26 B8R0.23 CC(=O)CC(=O)N(C)C SBB007704 [0,0,0,0,1,0|2,0,1]=4 27 B8R0.23 CC(C)CC(O)C(C)C SBB116858 [0,0,0,0,1,0|0,0,2]=3 28 B8R0.23 CC(C)OC(=O)[C@@H](C)N SBB070143 [0,0,0,0,1,0|1,0,0]=2 29 B7R0.3 C=C(CC)CCCC SBB060475 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.3 CCC(=O)OCCCl SBB060315 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.3 CCCNC(=O)CCl SBB016586 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.3 CCCOC(=O)CCl SBB060962 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.3 CCCOC(=O)CS SBB061003 [2,0,0,0,0,0|1,0,0]=3 34 B7R0.3 O=C(CCl)OCCCl SBB061273 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.4 CCCOCC(C)O SBB061007 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.5 C=C(C)C(=O)OCC SBB061402 [2,0,0,0,0,0|0,0,2]=4 37 B7R0.5 CCCC(=O)N(C)C SBB008345 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.5 CCOC(=O)C(C)Br SBB058608 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.5 CCOC(=O)C(C)C SBB060711 [2,0,0,0,0,0|0,0,0]=2 40 B7R0.5 CCOC(=O)C(C)N SBB004040 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.5 CCOC(=O)C(F)Br SBB070746 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.5 CCOC(=O)C(F)I SBB097841 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.5 CN(C)C(=O)CCN SBB085472 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.6 CC(C)CCC(=O)O SBB065829 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.6 CC(C)CNC(N)=O SBB008242 [2,0,0,0,0,0|2,0,0]=4 46 B9R0.3 CCCOC(=O)C(C)(Cl)Cl SBB056564 [1,1,0,0,0,0|1,0,0]=3 47 B9R0.3 CCCOC(=O)C(Cl)(Cl)Cl SBB061234 [1,1,0,0,0,0|2,0,0]=4 48 B9R0.47 CCCCCC(=O)N(C)C SBB008014 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.47 CCCCNC(=O)N(C)C SBB008135 [1,1,0,0,0,0|2,0,0]=4 50 B9R0.47 CCCCOC(=O)C(C)Cl SBB056574 [1,1,0,0,0,0|1,0,0]=3 51 B9R0.47 CCCCOC(=O)C(C)O SBB061171 [1,1,0,0,0,0|1,0,0]=3 52 B9R0.47 CCCCOC(=O)C(F)Cl SBB088217 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.47 CCCCOC(=O)C(F)F SBB086822 [1,1,0,0,0,0|2,0,0]=4 54 B9R0.21 CCC(=O)CNC(C)(C)C SBB002890 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.23 COC(=O)[C@@H](N)CC(C)C SBB302662 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.48 CCCC(=O)OCC(C)C SBB061108 [1,1,0,0,0,0|0,0,0]=2 57 B9R0.48 CCOC(C)OCC(C)C SBB059867 [1,1,0,0,0,0|1,0,1]=4 58 B9R0.1 CC(C)COCC(O)CO SBB059926 [1,1,0,0,0,0|1,0,1]=4 59 B9R0.53 CC(C)CC(O)CC(C)C SBB060165 [1,1,0,0,0,0|1,0,1]=4 60 B9R0.10 CC(C)OC(=O)C(F)(F)F SBB087113 [0,1,0,0,1,0|2,0,0]=4 61 B11R0.337 CC(C)CC(=O)CNC(C)(C)C SBB002852 [0,1,0,0,0,1|2,0,0]=4 62 B11R0.319 CC(C)(C)NCC(=O)C(C)(C)C SBB002883 [0,2,0,0,0,0|2,0,0]=4 63 B9R1.5 CN1CCCCCC1=O SBB056535 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.5 NC1CCCCNC1=O SBB056282 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.40 CC1(C)NCCNC1=O SBB010254 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.69 CC1CN(C)CCC1=O SBB001724 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.10 CC1(C)COC(=O)OC1 SBB007778 [1,0,0,1,0,0|1,0,0]=3 68 B9R1.80 O=C(CCl)NCC1CC1 SBB085411 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.133 CCC1=NC(C)(C)CO1 SBB058294 [1,0,0,1,0,0|1,0,0]=3 70 B9R1.138 CC1(C)COC(=O)C1O SBB055782 [1,0,0,1,0,0|1,0,0]=3 71 B9R1.138 CC1(C)COC(=O)[C@@H]1O SBB017517 [1,0,0,1,0,0|1,0,0]=3 72 B9R1.85 CC(C)COCC1CO1 SBB060097 [1,0,0,1,0,0|1,0,1]=4 73 B11R1.645 CC(O)CN1CC(C)OC1=O SBB051454 [0,0,0,1,0,1|2,0,0]=4 74 B11R1.1361 CC1CC(C)(C)CC(=O)C1=O SBB056269 [0,1,0,1,0,0|1,0,0]=3 75 B11R1.680 CC1C(=O)CC[N+](C)(C)C1C SBB002409 [0,1,0,1,0,0|2,0,0]=4 76 B7R0.2 CC(C)CC(=O)NN SBB021012 [1,0,0,0,1,0|2,0,0]=4 77 B7R0.2 CC(C)NC(=O)CBr SBB051007 [1,0,0,0,1,0|2,0,0]=4 78 B7R0.2 CC(C)NC(=O)CCl SBB016573 [1,0,0,0,1,0|2,0,0]=4 79 B7R0.2 CC(C)NC(=O)CN SBB085357 [1,0,0,0,1,0|2,0,0]=4 80 B7R0.2 CC(C)OC(=O)CCl SBB040600 [1,0,0,0,1,0|1,0,0]=3 81 B7R0.2 CC(C)OC(=O)CS SBB061230 [1,0,0,0,1,0|1,0,0]=3 82 B7R0.2 CCC(=O)OC(C)C SBB061101 [1,0,0,0,1,0|0,0,0]=2 83 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [1,0,0,0,1,0|1,0,1]=4 84 B7R0.16 CC(Br)C(=O)C(C)Br SBB070869 [0,0,0,0,2,0|2,0,0]=4 85 B7R0.16 CN(C)C(=O)N(C)C SBB060410 [0,0,0,0,2,0|2,0,0]=4 86 B9R0.55 CC(C)CSSCC(C)C SBB060845 [1,0,0,0,0,1|0,1,1]=4 87 B11R0.6 CC(C)CCOC(=O)CC(C)C SBB061565 [0,0,0,0,0,2|0,0,0]=2 88 B11R0.85 CC(C)CNC(=S)NCC(C)C SBB007912 [0,0,0,0,0,2|1,1,0]=4 89 B11R0.85 CC(C)COC(C)OCC(C)C SBB059868 [0,0,0,0,0,2|1,0,1]=4