0 B9R0.47 CCCCCC(=O)N(C)C SBB008014 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.47 CCCCCC(Cl)C(C)Cl SBB060458 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.47 CCCCNC(=O)N(C)C SBB008135 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.47 CCCCOC(=O)C(C)Cl SBB056574 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.47 CCCCOC(=O)C(C)O SBB061171 [0,0,0,0,0,0|0,0,0]=0 5 B9R0.47 CCCCOC(=O)C(F)Cl SBB088217 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.47 CCCCOC(=O)C(F)F SBB086822 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.6 CCCC#CC(=O)OC SBB069575 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.6 CCCCCC(=O)CC SBB060388 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.6 CCCCCC(=O)NN SBB021010 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.6 CCCCCC(=O)NO SBB008093 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.6 CCCCCC(=O)OC SBB060591 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.6 CCCCCC(O)CC SBB059904 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.6 CCCCNC(=O)CCl SBB010319 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.6 CCCCOC(=O)CC SBB060578 [1,0,0,0,0,0|0,0,0]=1 15 B8R0.6 CCCCOC(=O)CCl SBB060760 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.6 CCCCOC(=O)CF SBB085867 [1,0,0,0,0,0|1,0,0]=2 17 B8R0.6 CCCCOC(=O)CS SBB061004 [1,0,0,0,0,0|0,1,0]=2 18 B8R0.6 COC(=O)CCCCBr SBB070759 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.6 COCCNC(=O)CCl SBB038704 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.7 CCCCCCC(C)Br SBB060198 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.7 CCCCCCC(C)N SBB028238 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.7 CCCCCCC(C)O SBB059903 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.7 CCCCNCC(C)C SBB059764 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.7 CCCCNCC(C)O SBB059782 [1,0,0,0,0,0|1,0,1]=3 25 B8R0.7 [NH2+](CCCC)CC(C)C SBB061643 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.8 C=C(C)C(=O)OCCF SBB085807 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.8 CC(O)C(=O)NCCO SBB008212 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [1,0,0,0,0,0|0,0,2]=3 29 B8R0.8 CCCCC(=O)N(C)C SBB007992 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.8 CCCOC(=O)C(C)Cl SBB060963 [1,0,0,0,0,0|1,0,0]=2 31 B10R0.5 CCCCOC(=O)C(C)(Cl)Cl SBB056565 [0,1,0,0,0,0|1,0,0]=2 32 B10R0.5 CCCCOC(=O)C(Cl)(Cl)Cl SBB061235 [0,1,0,0,0,0|2,0,0]=3 33 B10R0.5 CCCCOC(=O)C(F)(F)F SBB088367 [0,1,0,0,0,0|2,0,0]=3 34 B10R0.75 CCCCCCC(=O)N(C)C SBB008017 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.176 CCN1CCC(=O)C(C)C1 SBB002317 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.205 C=C(C)C(=O)OCC1CO1 SBB081273 [0,0,0,1,0,0|2,0,1]=4 37 B10R0.6 CCCCOC(=O)CN(C)C SBB060887 [0,0,0,0,0,1|2,0,0]=3 38 B10R0.6 COCCOC(=O)CC(C)=O SBB061715 [0,0,0,0,0,1|1,0,2]=4 39 B7R0.1 CCCCC#CCO SBB008796 [2,0,0,0,0,0|1,0,1]=4 40 B7R0.1 CCCCNCCC SBB059822 [2,0,0,0,0,0|1,0,1]=4 41 B7R0.1 CCCCOCCBr SBB007731 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.1 CCCCOCCCl SBB059964 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.1 CCCCOCCO SBB059918 [2,0,0,0,0,0|0,0,1]=3 44 B7R0.1 CCCCSCCO SBB013616 [2,0,0,0,0,0|0,1,1]=4 45 B7R0.1 CCCOCCCN SBB056585 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.1 COCCOCCO SBB059920 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.1 C\C=C\CCCCC SBB059885 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.3 C=C(CC)CCCC SBB060475 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.3 CCC(=O)OCCCl SBB060315 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.3 CCCCC(=O)NN SBB028196 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.3 CCCNC(=O)CCl SBB016586 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.3 CCCOC(=O)CCl SBB060962 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.3 CCCOC(=O)CS SBB061003 [2,0,0,0,0,0|0,1,0]=3 54 B7R0.3 CNCCC(=O)NC SBB046578 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.3 CNCCC(=O)NC SBB080433 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.3 O=C(CCl)OCCCl SBB061273 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.4 CC(C)OCCCN SBB061717 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.4 CCCC#CC(=O)O SBB009091 [2,0,0,0,0,0|1,0,1]=4 59 B7R0.4 CCCCCC(=O)Cl SBB060011 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.4 CCCCCC(=O)O SBB053586 [2,0,0,0,0,0|1,0,0]=3 61 B7R0.4 CCCCCC(C)=O SBB061125 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.4 CCCCCC(N)=O SBB061056 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.4 CCCCOC(Cl)Cl SBB060510 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.4 CCCCOC(N)=O SBB060819 [2,0,0,0,0,0|1,0,0]=3 65 B7R0.4 CCCOCC(C)O SBB061007 [2,0,0,0,0,0|0,0,1]=3 66 B7R0.4 CCC\C=C\C(=O)O SBB009088 [2,0,0,0,0,0|1,0,1]=4 67 B7R0.4 CCOCCC(=O)O SBB053607 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.4 COCCOC(C)=O SBB060999 [2,0,0,0,0,0|1,0,0]=3 69 B7R0.4 NCCCCC(=O)O SBB061559 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.4 O=C(O)CCCCBr SBB061343 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.4 O=C(O)CCCCCl SBB061215 [2,0,0,0,0,0|2,0,0]=4 72 B7R0.5 C=C(C)C(=O)OCC SBB061402 [2,0,0,0,0,0|1,0,1]=4 73 B7R0.5 CCCC(=O)N(C)C SBB008345 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.5 CCCC(C)C(C)O SBB061491 [2,0,0,0,0,0|1,0,1]=4 75 B7R0.5 CCOC(=O)C(C)Br SBB058608 [2,0,0,0,0,0|1,0,0]=3 76 B7R0.5 CCOC(=O)C(C)C SBB060711 [2,0,0,0,0,0|1,0,0]=3 77 B7R0.5 CCOC(=O)C(C)N SBB004040 [2,0,0,0,0,0|1,0,0]=3 78 B7R0.5 CCOC(=O)C(F)Br SBB070746 [2,0,0,0,0,0|2,0,0]=4 79 B7R0.5 CCOC(=O)C(F)I SBB097841 [2,0,0,0,0,0|2,0,0]=4 80 B9R0.1 CC(C)CCOC(=O)CCl SBB060961 [1,1,0,0,0,0|1,0,0]=3 81 B9R0.5 CCCC#CC(=O)OCC SBB008805 [1,1,0,0,0,0|1,0,1]=4 82 B9R0.5 CCCCCC(=O)CCC SBB005828 [1,1,0,0,0,0|1,0,0]=3 83 B9R0.5 CCCCCC(=O)OCC SBB060316 [1,1,0,0,0,0|1,0,0]=3 84 B9R0.5 CCCCOC(=O)CCC SBB061107 [1,1,0,0,0,0|0,0,0]=2 85 B9R0.5 CCOC(=O)CCCCBr SBB070781 [1,1,0,0,0,0|2,0,0]=4 86 B9R0.46 CCCCC#CC(=O)OC SBB009075 [1,1,0,0,0,0|2,0,0]=4 87 B9R0.46 CCCCCCC(=O)CC SBB007744 [1,1,0,0,0,0|1,0,0]=3 88 B9R0.46 CCCCCCC(=O)OC SBB060317 [1,1,0,0,0,0|2,0,0]=4 89 B9R0.46 CCCCCNC(=O)CCl SBB017391 [1,1,0,0,0,0|2,0,0]=4 90 B9R0.46 CCCCCOC(=O)CC SBB058817 [1,1,0,0,0,0|0,0,0]=2 91 B9R0.46 CCCCCOC(=O)CCl SBB060707 [1,1,0,0,0,0|1,0,0]=3 92 B9R0.46 CCCCCOC(=O)CS SBB061204 [1,1,0,0,0,0|0,1,0]=3 93 B9R0.46 CCCCOCC(O)CC SBB061149 [1,1,0,0,0,0|0,0,2]=4 94 B9R0.46 CCCCOCC(O)CO SBB060185 [1,1,0,0,0,0|0,0,2]=4 95 B9R0.46 COC(=O)CCCCCN SBB003739 [1,1,0,0,0,0|2,0,0]=4 96 B9R0.46 COCCCNC(=O)CCl SBB017961 [1,1,0,0,0,0|2,0,0]=4 97 B9R0.2 CCCCCCCC(C)O SBB008521 [1,1,0,0,0,0|1,0,1]=4 98 B9R0.2 CCOCCOCC(C)O SBB061150 [1,1,0,0,0,0|0,0,1]=3 99 B9R0.3 CCCOC(=O)C(C)(Cl)Cl SBB056564 [1,1,0,0,0,0|1,0,0]=3 100 B9R0.3 CCCOC(=O)C(Cl)(Cl)Cl SBB061234 [1,1,0,0,0,0|2,0,0]=4 101 B9R0.7 CC(C)COC(=O)C(C)C SBB061112 [1,1,0,0,0,0|1,0,0]=3 102 B9R0.7 CC(C)COC(=O)C(C)Cl SBB061232 [1,1,0,0,0,0|1,0,0]=3 103 B9R0.7 CC(C)COC(=O)C(C)O SBB061172 [1,1,0,0,0,0|0,0,0]=2 104 B11R0.6 CC(C)CCOC(=O)CC(C)C SBB061565 [0,1,0,0,0,1|1,0,0]=3 105 B9R1.1 CCC1CCC(=O)CC1 SBB059272 [1,0,0,1,0,0|1,0,0]=3 106 B9R1.1 CCN1CCC(=O)CC1 SBB061714 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.1 O=C1CCC(CO)CC1 SBB054860 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.5 CN1CCCCCC1=O SBB056535 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.5 NC1CCCCNC1=O SBB056282 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.7 CCCC1OCC(C)O1 SBB060973 [1,0,0,1,0,0|1,0,1]=4 111 B9R1.11 COC(=O)C1CCCC1 SBB071502 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.11 O=C(CCl)N1CCCC1 SBB005370 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.50 O=C1CCCCCCC1 SBB008888 [1,0,0,1,0,0|1,0,0]=3 114 B9R1.80 O=C(CCl)NCC1CC1 SBB085411 [1,0,0,1,0,0|2,0,0]=4 115 B9R1.13 CC(O)CN1CCCC1 SBB056722 [1,0,0,1,0,0|1,0,1]=4 116 B9R1.83 CCCCCCC1CO1 SBB017138 [1,0,0,1,0,0|1,0,1]=4 117 B9R1.83 CCCCOCC1CO1 SBB060096 [1,0,0,1,0,0|0,0,1]=3 118 B9R1.69 CC1CN(C)CCC1=O SBB001724 [1,0,0,1,0,0|2,0,0]=4 119 B11R1.36 CC(N)C(=O)N1CCCCC1 SBB002500 [0,1,0,1,0,0|2,0,0]=4 120 B11R0.46 CCCCCC(=O)OCC(C)C SBB056802 [0,0,0,0,0,2|2,0,0]=4