0 B9R0.5 CCCC#CC(=O)OCC SBB008805 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.5 CCCCCC(=O)CCC SBB005828 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.5 CCCCCC(=O)OCC SBB060316 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.5 CCCCOC(=O)CCC SBB061107 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.5 CCOC(=O)CCCCBr SBB070781 [0,0,0,0,0,0|1,0,1]=2 5 B9R0.5 CCOC(=O)CCN=C=O SBB046971 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.1 C=CCOC(=O)CCC SBB061324 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.1 CCC#CC(=O)OCC SBB008819 [1,0,0,0,0,0|0,0,3]=4 8 B8R0.1 CCCC(=O)OCCCl SBB061294 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.1 CCCCC(=O)OCC SBB061113 [1,0,0,0,0,0|0,0,1]=2 10 B8R0.1 CCCOC(=O)CCC SBB061105 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.1 CCOC(=O)CCCBr SBB070757 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.1 CCOC(=O)CCCN SBB003878 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.1 CCOC(=O)CNC=O SBB067158 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.1 CCOC(=O)NCCO SBB079074 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.1 CCOC(=O)\C=C\CBr SBB070755 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.4 C=CCCCCCCC SBB060474 [1,0,0,0,0,0|1,0,1]=3 17 B8R0.4 CCCCCCCC=O SBB059871 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.6 C=CCSCC(=O)OC SBB008000 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.6 CCCCCC(=O)CC SBB060388 [1,0,0,0,0,0|0,0,2]=3 20 B8R0.6 CCCCCC(=O)OC SBB060591 [1,0,0,0,0,0|0,0,2]=3 21 B8R0.6 CCCCOC(=O)CC SBB060578 [1,0,0,0,0,0|1,0,2]=4 22 B8R0.6 COC(=O)CCCCBr SBB070759 [1,0,0,0,0,0|1,0,1]=3 23 B10R0.1 CCCCC#CC(=O)OCC SBB008804 [0,1,0,0,0,0|0,0,3]=4 24 B10R0.1 CCCCCCC(=O)OCC SBB061117 [0,1,0,0,0,0|0,0,2]=3 25 B10R0.1 CCCCCOC(=O)CCC SBB060758 [0,1,0,0,0,0|1,0,2]=4 26 B10R0.1 CCOC(=O)CCCCCBr SBB006556 [0,1,0,0,0,0|0,0,2]=3 27 B10R0.2 CCCC(=O)CC(=O)OCC SBB061679 [0,1,0,0,0,0|0,0,3]=4 28 B10R0.2 CCNC(C)CC(=O)OCC SBB046533 [0,1,0,0,0,0|1,0,2]=4 29 B10R0.2 CCOC(=O)C[C@H](O)CC#N SBB067618 [0,1,0,0,0,0|1,0,1]=3 30 B10R0.3 CCOC(=O)CCCC(=O)Cl SBB058617 [0,1,0,0,0,0|1,0,0]=2 31 B10R0.19 CCCCC(Br)C(=O)OCC SBB070817 [0,1,0,0,0,0|0,0,2]=3 32 B10R0.19 CCOC(=O)C(N)CCSC SBB000541 [0,1,0,0,0,0|1,0,1]=3 33 B10R0.19 CCOC(=O)[C@@H](N)CCCN SBB070614 [0,1,0,0,0,0|1,0,1]=3 34 B10R0.91 CCCCCC(=O)OCCCl SBB061275 [0,1,0,0,0,0|0,0,2]=3 35 B10R1.11 CCOC(=O)C1=CC=CN1 SBB053894 [0,0,0,1,0,0|1,0,2]=4 36 B10R1.11 CCOC(=O)C1=CC=CO1 SBB067087 [0,0,0,1,0,0|1,0,2]=4 37 B10R1.11 CCOC(=O)C1=CC=CS1 SBB058448 [0,0,0,1,0,0|1,0,2]=4 38 B10R1.11 CCOC(=O)C1=CC=NN1 SBB017331 [0,0,0,1,0,0|2,0,1]=4 39 B10R1.11 CCOC(=O)C1=CSC=C1 SBB066578 [0,0,0,1,0,0|1,0,2]=4 40 B10R1.11 CCOC(=O)C1SCCS1 SBB056950 [0,0,0,1,0,0|2,0,1]=4 41 B10R1.25 CC1=CC(C)C(C=O)CC1 SBB017127 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.78 O=C1CCCCCCCN1 SBB058438 [0,0,0,1,0,0|1,0,2]=4 43 B7R0.1 C=CCCCCCC SBB059884 [2,0,0,0,0,0|0,0,1]=3 44 B7R0.1 C=CCSCCCC SBB058522 [2,0,0,0,0,0|1,0,1]=4 45 B7R0.3 C=C(CC)CCCC SBB060475 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.3 C=CCNC(=O)CCl SBB085845 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.3 CCC(=O)OCCCl SBB060315 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.3 COC(=N)CCCCl SBB056505 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.7 C=C=CC(=O)OCC SBB054147 [2,0,0,0,0,0|0,0,2]=4 50 B7R0.7 CC#CC(=O)OCC SBB069554 [2,0,0,0,0,0|0,0,2]=4 51 B7R0.7 CCCC(=O)CCC SBB060386 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.7 CCNC(=O)NCC SBB058550 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.7 CCOC(=O)CC#N SBB040821 [2,0,0,0,0,0|1,0,1]=4 54 B7R0.7 CCOC(=O)CCBr SBB070739 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.7 CCOC(=O)CCN SBB004038 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.7 CCOC(=O)CNN SBB021976 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.7 CCOC(=O)CNN SBB054137 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.7 CCOC(=O)OCC SBB060086 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.7 CCOS(=O)OCC SBB060108 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.7 C\C=C\C(=O)OCC SBB061219 [2,0,0,0,0,0|0,0,2]=4 61 B7R0.7 N(C)CC(=O)OCC SBB004039 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.7 P(=O)(OCC)OCC SBB056825 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.4 C#CCCCC(=O)O SBB009090 [2,0,0,0,0,0|0,0,2]=4 64 B7R0.4 CCCCCC(=O)O SBB053586 [2,0,0,0,0,0|0,0,2]=4 65 B7R0.4 CCCCCC(C)=O SBB061125 [2,0,0,0,0,0|0,0,2]=4 66 B7R0.4 NCCCCC(=O)O SBB061559 [2,0,0,0,0,0|1,0,1]=4 67 B7R0.4 O=C(O)CCCCBr SBB061343 [2,0,0,0,0,0|1,0,1]=4 68 B7R0.4 O=C(O)CCCCCl SBB061215 [2,0,0,0,0,0|1,0,1]=4 69 B9R0.18 CCCCC(=O)CCCC SBB060073 [1,1,0,0,0,0|1,0,1]=4 70 B9R0.18 CCCCC(=O)OCCC SBB061228 [1,1,0,0,0,0|0,0,1]=3 71 B9R0.34 CCOC(=O)CC(=O)CCl SBB040868 [1,1,0,0,0,0|1,0,1]=4 72 B9R0.34 CCOC(=O)CC(C)NC SBB046551 [1,1,0,0,0,0|1,0,1]=4 73 B9R0.34 CCOC(=O)C[C@H](O)CCl SBB070707 [1,1,0,0,0,0|1,0,0]=3 74 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [1,1,0,0,0,0|1,0,1]=4 75 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [1,1,0,0,0,0|1,0,1]=4 76 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [1,1,0,0,0,0|1,0,1]=4 77 B9R0.48 CCOC(=O)CNC(N)=O SBB086470 [1,1,0,0,0,0|2,0,0]=4 78 B9R0.45 C(=O)\C=C\CC\C=C/CC SBB006611 [1,1,0,0,0,0|1,0,1]=4 79 B9R0.45 C=CCCCCCCCC SBB058674 [1,1,0,0,0,0|1,0,1]=4 80 B9R0.1 COC(=O)CCCC(=O)Cl SBB067933 [1,1,0,0,0,0|1,0,0]=3 81 B9R0.1 COC(=O)CCCC(=O)O SBB007943 [1,1,0,0,0,0|1,0,0]=3 82 B9R0.1 COC(=O)CCC[N+](=O)[O-] SBB013240 [1,1,0,0,0,0|2,0,0]=4 83 B11R0.4 CCCCCC#CC(=O)OCC SBB008812 [0,2,0,0,0,0|0,0,2]=4 84 B11R0.4 CCCCCCCC(=O)OCC SBB061059 [0,2,0,0,0,0|0,0,2]=4 85 B11R0.4 CCCCNCCC(=O)OCC SBB056920 [0,2,0,0,0,0|0,0,2]=4 86 B11R0.4 CCCCSCCC(=O)OCC SBB001706 [0,2,0,0,0,0|0,0,2]=4 87 B11R0.155 CCOC(=O)C(N)CCCCN SBB058160 [0,2,0,0,0,0|0,0,2]=4 88 B11R0.176 CCCC(=O)OCCCC(C)=O SBB017104 [0,2,0,0,0,0|1,0,1]=4 89 B11R0.176 CCOC(=O)CCCCC(=O)O SBB065980 [0,2,0,0,0,0|0,0,1]=3 90 B11R0.68 CSCC[C@@H](N)C(=O)OC(C)C SBB070583 [0,2,0,0,0,0|1,0,1]=4 91 B11R0.191 CCCCC(C#N)C(=O)OCC SBB069508 [0,2,0,0,0,0|0,0,2]=4 92 B11R0.191 CCCCC(CC)C(=O)OCC SBB061119 [0,2,0,0,0,0|0,0,2]=4 93 B11R0.46 CCCCCC(=O)OCC(C)C SBB056802 [0,2,0,0,0,0|0,0,2]=4 94 B11R0.140 CCCCCC(=O)OCCCC SBB061115 [0,2,0,0,0,0|0,0,2]=4 95 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.33 O=C1OCCN1CCO SBB007726 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.50 O=C1CCCCCCC1 SBB008888 [1,0,0,1,0,0|1,0,1]=4 98 B9R1.73 CCOC(=O)C1CCC1 SBB059126 [1,0,0,1,0,0|0,0,1]=3 99 B9R1.1 CCC1CCC(=O)CC1 SBB059272 [1,0,0,1,0,0|0,0,2]=4 100 B9R1.1 O=C1CCC(CO)CC1 SBB054860 [1,0,0,1,0,0|1,0,1]=4 101 B9R1.3 O=C1CCCC(=O)C1Br SBB038106 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.11 COC(=O)C1CCCC1 SBB071502 [1,0,0,1,0,0|0,0,2]=4 103 B9R1.11 COC(=O)C1CCCN1 SBB046302 [1,0,0,1,0,0|1,0,1]=4 104 B9R1.11 COC(=O)C1CCCN1 SBB054027 [1,0,0,1,0,0|1,0,1]=4 105 B9R1.11 COC(=O)[C@@H]1CCCN1 SBB003904 [1,0,0,1,0,0|1,0,1]=4 106 B11R1.16 CCOC(=O)C1CCCNC1 SBB027354 [0,1,0,1,0,0|0,0,2]=4 107 B11R1.16 CCOC(=O)C1CCNCC1 SBB004006 [0,1,0,1,0,0|0,0,2]=4 108 B11R1.16 CCOC(=O)C1CNCCO1 SBB054017 [0,1,0,1,0,0|1,0,1]=4 109 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 SBB054010 [0,1,0,1,0,0|0,0,2]=4 110 B11R1.16 CCOC(=O)[C@H]1CCCNC1 SBB066252 [0,1,0,1,0,0|0,0,2]=4 111 B11R1.30 CCOC(=O)CC1=CSC=N1 SBB018924 [0,1,0,1,0,0|1,0,1]=4 112 B11R1.30 CCOC(=O)CN1C=CC=N1 SBB087005 [0,1,0,1,0,0|1,0,1]=4 113 B11R1.30 CCOC(=O)CN1CCCC1 SBB111745 [0,1,0,1,0,0|0,0,2]=4 114 B11R1.199 CCOC(=O)C1CCCC1=O SBB048123 [0,1,0,1,0,0|0,0,1]=3 115 B11R1.15 CCOC(=O)C1CC(O)CN1 SBB010410 [0,1,0,1,0,0|1,0,1]=4 116 B11R1.15 N1C(=O)CC[C@@H]1C(=O)OCC SBB017510 [0,1,0,1,0,0|1,0,0]=3 117 B11R1.15 N1C(=O)CC[C@H]1C(=O)OCC SBB017516 [0,1,0,1,0,0|1,0,0]=3 118 B11R1.90 O=C(O)CCC1CCOC1=O SBB051506 [0,1,0,1,0,0|1,0,0]=3 119 B11R1.157 O=C(O)CN1CCOC(=O)C1 SBB002793 [0,1,0,1,0,0|2,0,0]=4 120 B11R1.819 CCOC(=O)C1(N)CCCC1 SBB116027 [0,1,0,1,0,0|0,0,2]=4