0 B10R0.1 CCCCC#CC(=O)OCC SBB008804 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.1 CCCCCCC(=O)OCC SBB061117 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.1 CCCCCOC(=O)CCC SBB060758 [0,0,0,0,0,0|0,0,0]=0 3 B10R0.1 CCOC(=O)CCCCCBr SBB006556 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.5 CCCC#CC(=O)OCC SBB008805 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.5 CCCCCC(=O)CCC SBB005828 [1,0,0,0,0,0|0,0,0]=1 6 B9R0.5 CCCCCC(=O)OCC SBB060316 [1,0,0,0,0,0|1,0,0]=2 7 B9R0.5 CCCCOC(=O)CCC SBB061107 [1,0,0,0,0,0|0,0,0]=1 8 B9R0.5 CCOC(=O)CCCCBr SBB070781 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.45 CCCCCC#CCCO SBB009142 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.45 CCCCCCCCCBr SBB059939 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.45 CCCCCCCCCCl SBB059956 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.45 CCCCCCCCCN SBB059987 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.45 CCCCCCCCCO SBB059907 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.45 CCCCCCCCOC SBB061156 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.45 CCCCCCNCCN SBB058822 [1,0,0,0,0,0|3,0,0]=4 16 B9R0.45 CCCCCCNCCO SBB007879 [1,0,0,0,0,0|3,0,0]=4 17 B9R0.45 CCCCCCOCCCl SBB060218 [1,0,0,0,0,0|3,0,0]=4 18 B9R0.45 CCCCCCOCCO SBB060173 [1,0,0,0,0,0|3,0,0]=4 19 B9R0.45 CCCCCCSCCO SBB060444 [1,0,0,0,0,0|3,0,0]=4 20 B9R0.45 CCCCCNCCCC SBB059765 [1,0,0,0,0,0|1,0,1]=3 21 B9R0.45 CCCCCOCCC#N SBB061167 [1,0,0,0,0,0|1,0,2]=4 22 B9R0.45 CCCCNCCOCC SBB056553 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.45 CCCCSSCCCC SBB060118 [1,0,0,0,0,0|1,1,1]=4 24 B9R0.45 [NH2+](CCCC)CCCCC SBB061636 [1,0,0,0,0,0|1,0,1]=3 25 B9R0.46 CCCCC#CC(=O)OC SBB009075 [1,0,0,0,0,0|2,0,1]=4 26 B9R0.46 CCCCCCC(=O)CC SBB007744 [1,0,0,0,0,0|1,0,0]=2 27 B9R0.46 CCCCCCC(=O)NN SBB021011 [1,0,0,0,0,0|3,0,0]=4 28 B9R0.46 CCCCCCC(=O)OC SBB060317 [1,0,0,0,0,0|2,0,0]=3 29 B9R0.46 CCCCCNC(=O)CCl SBB017391 [1,0,0,0,0,0|2,0,0]=3 30 B9R0.46 CCCCCOC(=O)CC SBB058817 [1,0,0,0,0,0|0,0,0]=1 31 B9R0.46 CCCCCOC(=O)CCl SBB060707 [1,0,0,0,0,0|1,0,0]=2 32 B9R0.46 CCCCCOC(=O)CS SBB061204 [1,0,0,0,0,0|1,0,0]=2 33 B9R0.46 COC(=O)CCCCCN SBB003739 [1,0,0,0,0,0|3,0,0]=4 34 B9R0.46 COCCCNC(=O)CCl SBB017961 [1,0,0,0,0,0|3,0,0]=4 35 B11R0.4 CCCC(=O)OCCOCCCl SBB061295 [0,1,0,0,0,0|1,0,0]=2 36 B11R0.4 CCCCCC#CC(=O)OCC SBB008812 [0,1,0,0,0,0|2,0,0]=3 37 B11R0.4 CCCCCCCC(=O)OCC SBB061059 [0,1,0,0,0,0|2,0,0]=3 38 B11R0.4 CCCCCCOC(=O)CCC SBB061110 [0,1,0,0,0,0|0,0,0]=1 39 B11R0.4 CCCCNCCC(=O)OCC SBB056920 [0,1,0,0,0,0|2,0,0]=3 40 B11R0.4 CCCCSCCC(=O)OCC SBB001706 [0,1,0,0,0,0|2,0,0]=3 41 B11R0.155 CCOC(=O)C(N)CCCCN SBB058160 [0,1,0,0,0,0|3,0,0]=4 42 B11R0.176 CCCC(=O)OCCCC(C)=O SBB017104 [0,1,0,0,0,0|0,0,1]=2 43 B11R1.16 CCCC(O)C1CCCCC1 SBB071419 [0,0,0,1,0,0|1,0,2]=4 44 B11R1.16 CCOC(=O)C1CCCNC1 SBB027354 [0,0,0,1,0,0|3,0,0]=4 45 B11R1.16 CCOC(=O)C1CCNCC1 SBB004006 [0,0,0,1,0,0|3,0,0]=4 46 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 SBB054010 [0,0,0,1,0,0|3,0,0]=4 47 B11R1.16 CCOC(=O)[C@H]1CCCNC1 SBB066252 [0,0,0,1,0,0|3,0,0]=4 48 B11R1.16 N#CCC(=O)N1CCCCC1 SBB000112 [0,0,0,1,0,0|2,0,1]=4 49 B11R1.16 N1CCN(C(=O)OCC)CC1 SBB003993 [0,0,0,1,0,0|3,0,0]=4 50 B11R1.16 NCCC(=O)N1CCCCC1 SBB302636 [0,0,0,1,0,0|2,0,0]=3 51 B11R1.16 O=C(CCBr)N1CCOCC1 SBB302924 [0,0,0,1,0,0|3,0,0]=4 52 B11R1.30 CCOC(=O)CN1CCCC1 SBB111745 [0,0,0,1,0,0|3,0,0]=4 53 B8R0.1 C=CCOC(=O)CCC SBB061324 [2,0,0,0,0,0|0,0,2]=4 54 B8R0.1 CCCC(=O)OCCCl SBB061294 [2,0,0,0,0,0|1,0,0]=3 55 B8R0.1 CCCCC(=O)OCC SBB061113 [2,0,0,0,0,0|1,0,0]=3 56 B8R0.1 CCCCC(O)CCC SBB059905 [2,0,0,0,0,0|0,0,2]=4 57 B8R0.1 CCCCS(=O)CCO SBB019077 [2,0,0,0,0,0|2,0,0]=4 58 B8R0.1 CCCOC(=O)CCC SBB061105 [2,0,0,0,0,0|0,0,0]=2 59 B8R0.1 CCOC(=O)CCCBr SBB070757 [2,0,0,0,0,0|2,0,0]=4 60 B8R0.1 CCOC(=O)CCCN SBB003878 [2,0,0,0,0,0|2,0,0]=4 61 B8R0.1 O=C(CCS)OCCO SBB008479 [2,0,0,0,0,0|2,0,0]=4 62 B8R0.4 CCCCCCCCBr SBB059937 [2,0,0,0,0,0|1,0,1]=4 63 B8R0.4 CCCCCCCCCl SBB059955 [2,0,0,0,0,0|1,0,1]=4 64 B8R0.4 CCCCCCCCN SBB059986 [2,0,0,0,0,0|1,0,1]=4 65 B8R0.4 CCCCCCCCO SBB059902 [2,0,0,0,0,0|1,0,1]=4 66 B8R0.4 CCCCCCCNC SBB059820 [2,0,0,0,0,0|1,0,1]=4 67 B8R0.4 CCCCCCSCC SBB061179 [2,0,0,0,0,0|1,0,1]=4 68 B8R0.4 CCCCCNCCO SBB059826 [2,0,0,0,0,0|2,0,0]=4 69 B8R0.4 CCCCNCCCC SBB059755 [2,0,0,0,0,0|1,0,1]=4 70 B8R0.4 CCCCOCCCC SBB060059 [2,0,0,0,0,0|0,0,1]=3 71 B8R0.4 CCCCOCCCN SBB061718 [2,0,0,0,0,0|1,0,1]=4 72 B8R0.4 CCCCSCCCC SBB060667 [2,0,0,0,0,0|0,1,1]=4 73 B8R0.4 CCOCCOCCCl SBB060378 [2,0,0,0,0,0|2,0,0]=4 74 B8R0.4 CCOCCOCCO SBB060178 [2,0,0,0,0,0|2,0,0]=4 75 B8R0.4 CCSCCOCCO SBB061065 [2,0,0,0,0,0|2,0,0]=4 76 B8R0.6 CCCCCC(=O)CC SBB060388 [2,0,0,0,0,0|0,0,0]=2 77 B8R0.6 CCCCCC(=O)NN SBB021010 [2,0,0,0,0,0|2,0,0]=4 78 B8R0.6 CCCCCC(=O)NO SBB008093 [2,0,0,0,0,0|2,0,0]=4 79 B8R0.6 CCCCCC(=O)OC SBB060591 [2,0,0,0,0,0|1,0,0]=3 80 B8R0.6 CCCCCC(O)CC SBB059904 [2,0,0,0,0,0|0,0,2]=4 81 B8R0.6 CCCCNC(=O)CCl SBB010319 [2,0,0,0,0,0|2,0,0]=4 82 B8R0.6 CCCCOC(=O)CC SBB060578 [2,0,0,0,0,0|0,0,0]=2 83 B8R0.6 CCCCOC(=O)CCl SBB060760 [2,0,0,0,0,0|1,0,0]=3 84 B8R0.6 CCCCOC(=O)CF SBB085867 [2,0,0,0,0,0|1,0,0]=3 85 B8R0.6 CCCCOC(=O)CS SBB061004 [2,0,0,0,0,0|1,0,0]=3 86 B8R0.6 COC(=O)CCCCBr SBB070759 [2,0,0,0,0,0|2,0,0]=4 87 B8R0.7 CC(=O)OCCCCCl SBB059334 [2,0,0,0,0,0|1,0,0]=3 88 B8R0.7 CCCCCCC(=O)Cl SBB060012 [2,0,0,0,0,0|2,0,0]=4 89 B8R0.7 CCCCCCC(=O)O SBB053587 [2,0,0,0,0,0|2,0,0]=4 90 B8R0.7 CCCCCCC(C)=O SBB060387 [2,0,0,0,0,0|1,0,0]=3 91 B8R0.7 CCCCCOC(C)=O SBB060027 [2,0,0,0,0,0|0,0,0]=2 92 B8R0.7 CCOCCOC(C)=O SBB061000 [2,0,0,0,0,0|1,0,0]=3 93 B10R0.2 CCCC(=O)CC(=O)OCC SBB061679 [1,1,0,0,0,0|1,0,1]=4 94 B10R0.2 CCCC(=O)OC(=O)CCC SBB040852 [1,1,0,0,0,0|0,0,1]=3 95 B10R0.2 CCNC(C)CC(=O)OCC SBB046533 [1,1,0,0,0,0|2,0,0]=4 96 B10R0.3 CCCC(=O)OCCC(C)C SBB061109 [1,1,0,0,0,0|0,0,0]=2 97 B10R0.6 CCCCOC(=O)CN(C)C SBB060887 [1,1,0,0,0,0|1,0,0]=3 98 B10R0.6 COCCOC(=O)CC(C)=O SBB061715 [1,1,0,0,0,0|1,0,1]=4 99 B10R0.19 CCCCC(Br)C(=O)OCC SBB070817 [1,1,0,0,0,0|1,0,0]=3 100 B10R0.19 CCOC(=O)C(N)CCSC SBB000541 [1,1,0,0,0,0|2,0,0]=4 101 B10R0.19 CCOC(=O)[C@@H](N)CCCN SBB070614 [1,1,0,0,0,0|2,0,0]=4 102 B10R0.24 CCCCCC(CO)CCC SBB043960 [1,1,0,0,0,0|0,0,2]=4 103 B10R0.91 CCCCCC(=O)OCCCl SBB061275 [1,1,0,0,0,0|1,0,0]=3 104 B10R0.91 CCCCOC(=O)CN=C=O SBB048893 [1,1,0,0,0,0|1,0,1]=4 105 B10R0.156 CCCCCS(=O)(=O)CCCl SBB013613 [1,1,0,0,0,0|2,0,0]=4 106 B10R0.4 CCCCCCNCC(C)O SBB059797 [1,1,0,0,0,0|2,0,0]=4 107 B10R0.71 CCCCCCCCCCBr SBB008838 [1,1,0,0,0,0|1,0,1]=4 108 B10R0.71 CCCCCCCCCCCl SBB059957 [1,1,0,0,0,0|1,0,1]=4 109 B10R0.71 CCCCCCCCCCF SBB087464 [1,1,0,0,0,0|1,0,1]=4 110 B10R0.71 CCCCCCCCCCO SBB059908 [1,1,0,0,0,0|1,0,1]=4 111 B10R0.71 CCCCCCCCCNC SBB059836 [1,1,0,0,0,0|1,0,1]=4 112 B10R0.71 CCCCCCCCOCC SBB061155 [1,1,0,0,0,0|1,0,1]=4 113 B10R0.71 CCCCCCNCCCC SBB059766 [1,1,0,0,0,0|1,0,1]=4 114 B10R0.71 CCCCCSCCCCC SBB060112 [1,1,0,0,0,0|0,1,1]=4 115 B10R0.71 CCCCOCCOCCCl SBB059967 [1,1,0,0,0,0|1,0,1]=4 116 B10R0.71 CCCCOCCOCCO SBB059921 [1,1,0,0,0,0|1,0,1]=4 117 B10R0.71 CCCCOCCSCCO SBB061080 [1,1,0,0,0,0|1,0,1]=4 118 B10R0.71 CCCC\C=C\CCCCO SBB008885 [1,1,0,0,0,0|2,0,0]=4 119 B10R0.71 CCSCCOCCSCC SBB057386 [1,1,0,0,0,0|1,0,1]=4 120 B10R0.71 ClCCCCOCCCCCl SBB070766 [1,1,0,0,0,0|1,0,1]=4 121 B10R0.71 [NH2+](CCCC)CCCCCC SBB061637 [1,1,0,0,0,0|1,0,1]=4 122 B10R0.75 CCCCCCC(=O)N(C)C SBB008017 [1,1,0,0,0,0|2,0,0]=4 123 B12R0.1 CCCCCCCCC(=O)OCC SBB061355 [0,2,0,0,0,0|2,0,0]=4 124 B12R0.1 CCCCOCCOC(=O)CCC SBB061304 [0,2,0,0,0,0|0,0,0]=2 125 B12R0.47 CCCCCOC(=O)CCCCC SBB061116 [0,2,0,0,0,0|0,0,0]=2 126 B10R1.10 CCCC1OCCC(C)O1 SBB060972 [1,0,0,1,0,0|0,0,2]=4 127 B10R1.19 O=C1CCCCCN1CO SBB001697 [1,0,0,1,0,0|2,0,0]=4 128 B10R1.29 O=C1CCCN1CCCO SBB056162 [1,0,0,1,0,0|2,0,0]=4 129 B10R1.78 O=C1CCCCCCCN1 SBB058438 [1,0,0,1,0,0|1,0,0]=3 130 B10R1.85 CCCC1OCCCCO1 SBB060980 [1,0,0,1,0,0|0,0,2]=4 131 B10R1.138 CCCC(=O)OC[C@H]1CO1 SBB086343 [1,0,0,1,0,0|1,0,0]=3 132 B10R1.17 CCCCN1CCCCC1 SBB061043 [1,0,0,1,0,0|1,0,1]=4 133 B10R1.1 CCCC1CCC(=O)CC1 SBB008421 [1,0,0,1,0,0|1,0,0]=3 134 B10R1.15 COC(=O)C1CCCCC1 SBB008423 [1,0,0,1,0,0|2,0,0]=4 135 B10R1.15 O=C(CBr)N1CCCCC1 SBB051006 [1,0,0,1,0,0|2,0,0]=4 136 B10R1.15 O=C(CCl)N1CCCCC1 SBB072651 [1,0,0,1,0,0|2,0,0]=4 137 B10R1.27 O=C(CBr)NC1CCCC1 SBB080105 [1,0,0,1,0,0|2,0,0]=4 138 B10R1.27 O=C(CCl)NC1CCCC1 SBB042522 [1,0,0,1,0,0|2,0,0]=4 139 B10R1.27 O=C(CCl)OC1CCCC1 SBB060738 [1,0,0,1,0,0|1,0,0]=3 140 B12R1.32 CCOC(=O)CC1CCCCO1 SBB014325 [0,1,0,1,0,0|2,0,0]=4 141 B12R1.32 CCOC(=O)CC1CCNCC1 SBB062746 [0,1,0,1,0,0|2,0,0]=4 142 B12R1.32 CCOC(=O)CN1CCCCC1 SBB057365 [0,1,0,1,0,0|2,0,0]=4 143 B12R1.51 CCOC(=O)CCN1CCCC1 SBB046590 [0,1,0,1,0,0|2,0,0]=4 144 B12R1.30 CCCOC(=O)C1CCCCN1 SBB071701 [0,1,0,1,0,0|2,0,0]=4 145 B12R1.16 CCCC(=O)N1CCC(=O)CC1 SBB046463 [0,1,0,1,0,0|1,0,1]=4 146 B12R1.16 CCOC(=O)N1CCC(N)CC1 SBB003834 [0,1,0,1,0,0|2,0,0]=4 147 B12R2.2 C1=C(N2CCCCC2)CCC1 SBB059099 [0,0,0,2,0,0|2,0,0]=4 148 B12R2.1081 O=C1CCCC2CCCCC12 SBB061657 [0,0,0,2,0,0|1,0,0]=3 149 B12R2.1081 [C@@H]12CCCC[C@H]1C(=O)CCN2 SBB001866 [0,0,0,2,0,0|2,0,0]=4 150 B12R2.2075 O=C(C1CC1)N2CCNCC2 SBB003645 [0,0,0,2,0,0|2,0,0]=4