0 B8R0.1 C=CCOC(=O)CC#N SBB068292 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.1 C=CCOC(=O)CCC SBB061324 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.1 CCC#CC(=O)OCC SBB008819 [0,0,0,0,0,0|0,0,4]=4 3 B8R0.1 CCCC(=O)OCCCl SBB061294 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.1 CCCCC(=O)OCC SBB061113 [0,0,0,0,0,0|0,0,2]=2 5 B8R0.1 CCCOC(=O)CCC SBB061105 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.1 CCOC(=O)CCCBr SBB070757 [0,0,0,0,0,0|1,0,1]=2 7 B8R0.1 CCOC(=O)CCCN SBB003878 [0,0,0,0,0,0|1,0,1]=2 8 B8R0.1 CCOC(=O)CNC=O SBB067158 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.1 CCOC(=O)NCCO SBB079074 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.1 CCOC(=O)\C=C\CBr SBB070755 [0,0,0,0,0,0|1,0,3]=4 11 B7R0.1 C=CCCCCCC SBB059884 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.1 C=CCSCCCC SBB058522 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.3 C=C(CC)CCCC SBB060475 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.3 C=CCNC(=O)CCl SBB085845 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.3 CCC(=O)OCCCl SBB060315 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.3 CNCCC(=O)NC SBB046578 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.3 CNCCC(=O)NC SBB080433 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.3 COC(=N)CCCCl SBB056505 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.7 C=C=CC(=O)OCC SBB054147 [1,0,0,0,0,0|0,0,2]=3 20 B7R0.7 CC#CC(=O)OCC SBB069554 [1,0,0,0,0,0|0,0,3]=4 21 B7R0.7 CCCC(=O)CCC SBB060386 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.7 CCNC(=O)CC#N SBB000040 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.7 CCNC(=O)NCC SBB058550 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.7 CCOC(=O)CC#N SBB040821 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.7 CCOC(=O)CCBr SBB070739 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.7 CCOC(=O)CCN SBB004038 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.7 CCOC(=O)CNN SBB021976 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.7 CCOC(=O)CNN SBB054137 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.7 CCOC(=O)N=C=S SBB066610 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.7 CCOC(=O)OCC SBB060086 [1,0,0,0,0,0|1,0,1]=3 31 B7R0.7 CCOS(=O)OCC SBB060108 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.7 C\C=C\C(=O)OCC SBB061219 [1,0,0,0,0,0|0,0,2]=3 33 B7R0.7 N(C)CC(=O)OCC SBB004039 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.7 P(=O)(OCC)OCC SBB056825 [1,0,0,0,0,0|2,0,1]=4 35 B9R0.5 CCCC#CC(=O)OCC SBB008805 [0,1,0,0,0,0|0,0,3]=4 36 B9R0.5 CCCCCC(=O)CCC SBB005828 [0,1,0,0,0,0|1,0,2]=4 37 B9R0.5 CCCCCC(=O)OCC SBB060316 [0,1,0,0,0,0|0,0,2]=3 38 B9R0.5 CCCCOC(=O)CCC SBB061107 [0,1,0,0,0,0|1,0,2]=4 39 B9R0.5 CCOC(=O)CCCCBr SBB070781 [0,1,0,0,0,0|0,0,2]=3 40 B9R0.5 CCOC(=O)CCN=C=O SBB046971 [0,1,0,0,0,0|1,0,1]=3 41 B9R0.18 C=CCNC(=S)NCCO SBB066543 [0,1,0,0,0,0|2,1,0]=4 42 B9R0.18 CCCCC(=O)CCCC SBB060073 [0,1,0,0,0,0|1,0,2]=4 43 B9R0.18 CCCCC(=O)OCCC SBB061228 [0,1,0,0,0,0|0,0,2]=3 44 B9R0.34 CCOC(=O)CC(=O)CCl SBB040868 [0,1,0,0,0,0|1,0,2]=4 45 B9R0.34 CCOC(=O)CC(C)NC SBB046551 [0,1,0,0,0,0|1,0,1]=3 46 B9R0.34 CCOC(=O)C[C@H](O)CCl SBB070707 [0,1,0,0,0,0|1,0,1]=3 47 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [0,1,0,0,0,0|1,0,2]=4 48 B9R0.35 CCOC(=O)C(C)N=C=O SBB048880 [0,1,0,0,0,0|2,0,1]=4 49 B9R0.35 CCOC(=O)C(C)N=C=S SBB050954 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,1,0,0,0,0|1,0,1]=3 51 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [0,1,0,0,0,0|1,0,1]=3 52 B9R0.48 CCOC(=O)CNC(N)=O SBB086470 [0,1,0,0,0,0|2,0,0]=3 53 B9R0.48 CCOC(=O)\C=C\C(=O)O SBB065780 [0,1,0,0,0,0|1,0,2]=4 54 B9R0.48 OC(=O)CSC(=S)OCC SBB058117 [0,1,0,0,0,0|2,1,0]=4 55 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.27 CCN1C(=O)CN=C1S SBB030291 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.27 CCN1C(=O)CNC1=S SBB023516 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.27 CCN1C(=O)CSC1=S SBB023534 [0,0,0,1,0,0|3,0,0]=4 59 B9R1.33 O=C1OCCN1CCO SBB007726 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.49 O=C1CCC(=O)COC1 SBB000058 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.50 O=C1CCCCCCC1 SBB008888 [0,0,0,1,0,0|1,0,2]=4 62 B9R1.73 CCOC(=O)C1CCC1 SBB059126 [0,0,0,1,0,0|0,0,2]=3 63 B6R0.6 C=CCCCCBr SBB054740 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.6 C=CCCCCC SBB059882 [2,0,0,0,0,0|0,0,1]=3 65 B6R0.6 CCOCCC#N SBB067181 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.6 CCOCCCN SBB028180 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.6 CC\C=C/CCO SBB007739 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.1 C#CC(=O)OCC SBB060344 [2,0,0,0,0,0|0,0,2]=4 69 B6R0.1 C=CC(=O)OCC SBB060348 [2,0,0,0,0,0|0,0,0]=2 70 B6R0.1 CCCC(=O)CC SBB061496 [2,0,0,0,0,0|0,0,1]=3 71 B6R0.1 CCCC(=O)OC SBB061104 [2,0,0,0,0,0|0,0,1]=3 72 B6R0.1 CCNC(=O)CBr SBB051008 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.1 CCNC(=O)CCl SBB008200 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.1 CCOC(=O)CBr SBB060995 [2,0,0,0,0,0|1,0,0]=3 75 B6R0.1 CCOC(=O)CC SBB060312 [2,0,0,0,0,0|0,0,0]=2 76 B6R0.1 CCOC(=O)NN SBB028182 [2,0,0,0,0,0|2,0,0]=4 77 B6R0.1 COC(=O)CC#N SBB059483 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.1 COC(=O)CCBr SBB070709 [2,0,0,0,0,0|1,0,0]=3 79 B6R0.1 COC(=O)CCN SBB071679 [2,0,0,0,0,0|1,0,0]=3 80 B6R0.1 C\C=C\C(=O)OC SBB061218 [2,0,0,0,0,0|0,0,2]=4 81 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [2,0,0,0,0,0|1,0,0]=3 82 B6R0.4 C#CCCC(=O)O SBB009121 [2,0,0,0,0,0|0,0,2]=4 83 B6R0.4 C=CCCC(=O)O SBB061214 [2,0,0,0,0,0|0,0,0]=2 84 B6R0.4 C=CCCC(C)=O SBB009089 [2,0,0,0,0,0|0,0,0]=2 85 B6R0.4 CCCCC(=O)O SBB053585 [2,0,0,0,0,0|0,0,2]=4 86 B6R0.4 CCCCC(C)=O SBB061262 [2,0,0,0,0,0|0,0,2]=4 87 B6R0.4 NCCCC(=O)O SBB028179 [2,0,0,0,0,0|1,0,1]=4 88 B6R0.4 O=C(O)CCCBr SBB065986 [2,0,0,0,0,0|1,0,1]=4 89 B8R0.4 C=CCCCCCCC SBB060474 [1,1,0,0,0,0|1,0,1]=4 90 B8R0.3 COC(=O)C(C)CCCl SBB054131 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.3 COC(=O)[C@@H](N)CSC SBB080950 [1,1,0,0,0,0|1,0,1]=4 92 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [1,1,0,0,0,0|1,0,0]=3 93 B8R0.9 CNC(=O)CCC(=O)O SBB007999 [1,1,0,0,0,0|2,0,0]=4 94 B8R0.9 COC(=O)CCC(=O)O SBB061270 [1,1,0,0,0,0|1,0,0]=3 95 B8R0.9 NCC(=O)CCC(=O)O SBB003880 [1,1,0,0,0,0|2,0,0]=4 96 B8R0.9 NCC(=O)CCC(=O)O SBB071696 [1,1,0,0,0,0|2,0,0]=4 97 B8R0.5 CC(C)OC(=O)CC#N SBB056441 [1,1,0,0,0,0|1,0,1]=4 98 B8R0.5 CCCC(=O)OC(C)C SBB061106 [1,1,0,0,0,0|0,0,1]=3 99 B8R0.5 CCOC(=O)CC(=N)N SBB010259 [1,1,0,0,0,0|1,0,0]=3 100 B8R0.5 CCOC(=O)CC(=O)Cl SBB056440 [1,1,0,0,0,0|1,0,0]=3 101 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [1,1,0,0,0,0|1,0,0]=3 102 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [1,1,0,0,0,0|0,0,1]=3 103 B8R0.5 CCOC(=O)CC(C)C SBB061114 [1,1,0,0,0,0|0,0,1]=3 104 B8R0.5 CCOC(=O)CC(C)N SBB108871 [1,1,0,0,0,0|0,0,1]=3 105 B8R0.5 CCOC(=O)\C=C(\C)N SBB028236 [1,1,0,0,0,0|0,0,2]=4 106 B10R0.28 CC(C)(C)OC(=O)CCCBr SBB070815 [0,2,0,0,0,0|1,0,1]=4 107 B10R0.28 CC(C)(C)OC(=O)NCC=O SBB054146 [0,2,0,0,0,0|2,0,0]=4 108 B10R0.32 CCOC(=O)C(=O)CC(C)=O SBB008612 [0,2,0,0,0,0|0,0,2]=4 109 B10R0.32 CCOC(=O)C(N)CC(C)C SBB048376 [0,2,0,0,0,0|0,0,2]=4 110 B10R0.1 CCCCC#CC(=O)OCC SBB008804 [0,2,0,0,0,0|0,0,2]=4 111 B10R0.1 CCCCCCC(=O)OCC SBB061117 [0,2,0,0,0,0|0,0,2]=4 112 B10R0.1 CCOC(=O)CCCCCBr SBB006556 [0,2,0,0,0,0|0,0,2]=4 113 B10R0.2 CCCC(=O)CC(=O)OCC SBB061679 [0,2,0,0,0,0|0,0,2]=4 114 B10R0.2 CCNC(C)CC(=O)OCC SBB046533 [0,2,0,0,0,0|0,0,2]=4 115 B10R0.2 CCOC(=O)C[C@H](O)CC#N SBB067618 [0,2,0,0,0,0|0,0,2]=4 116 B10R0.3 CCOC(=O)CCCC(=O)Cl SBB058617 [0,2,0,0,0,0|0,0,1]=3 117 B10R0.19 CCCCC(Br)C(=O)OCC SBB070817 [0,2,0,0,0,0|0,0,2]=4 118 B10R0.19 CCOC(=O)C(N)CCSC SBB000541 [0,2,0,0,0,0|0,0,2]=4 119 B10R0.19 CCOC(=O)[C@@H](N)CCCN SBB070614 [0,2,0,0,0,0|0,0,2]=4 120 B10R0.91 CCCCCC(=O)OCCCl SBB061275 [0,2,0,0,0,0|0,0,2]=4 121 B10R0.108 CCOC(=O)CNC(=O)CCl SBB003757 [0,2,0,0,0,0|1,0,1]=4 122 B10R0.109 CCOC(=O)CCC(F)(F)F SBB088368 [0,2,0,0,0,0|1,0,1]=4 123 B8R1.2 C=CC1CC=CCC1 SBB059892 [1,0,0,1,0,0|1,0,0]=3 124 B8R1.2 O=CC1CC=CCC1 SBB068360 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.2 O=CC1CCOCC1 SBB052321 [1,0,0,1,0,0|1,0,1]=4 126 B8R1.8 C=CCC1CCCC1 SBB008872 [1,0,0,1,0,0|1,0,1]=4 127 B8R1.49 C1=CCCC=CCC1 SBB059891 [1,0,0,1,0,0|1,0,0]=3 128 B8R1.49 C1=CCCCCCC1 SBB059890 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.3 CN1CCC(=O)CC1 SBB080527 [1,0,0,1,0,0|1,0,1]=4 130 B8R1.3 O=C1CCC(=O)CC1 SBB059391 [1,0,0,1,0,0|1,0,0]=3 131 B8R1.3 O=C1CCC(O)CC1 SBB056283 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.38 COC(=O)C1CCC1 SBB071501 [1,0,0,1,0,0|0,0,2]=4 133 B8R1.50 CC1C(=O)CCC1=O SBB060744 [1,0,0,1,0,0|1,0,0]=3 134 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [1,0,0,1,0,0|2,0,0]=4 135 B10R1.11 CCOC(=O)C1=CC=CN1 SBB053894 [0,1,0,1,0,0|0,0,2]=4 136 B10R1.11 CCOC(=O)C1=CC=CO1 SBB067087 [0,1,0,1,0,0|0,0,2]=4 137 B10R1.11 CCOC(=O)C1=CC=CS1 SBB058448 [0,1,0,1,0,0|0,0,2]=4 138 B10R1.11 CCOC(=O)C1=CC=NN1 SBB017331 [0,1,0,1,0,0|1,0,1]=4 139 B10R1.11 CCOC(=O)C1=COC=N1 SBB053931 [0,1,0,1,0,0|1,0,1]=4 140 B10R1.11 CCOC(=O)C1=CSC=C1 SBB066578 [0,1,0,1,0,0|0,0,2]=4 141 B10R1.11 CCOC(=O)C1=CSC=N1 SBB018687 [0,1,0,1,0,0|1,0,1]=4 142 B10R1.11 CCOC(=O)C1SCCS1 SBB056950 [0,1,0,1,0,0|1,0,1]=4 143 B10R1.4 C=CCC1CCCCC1=O SBB006544 [0,1,0,1,0,0|1,0,0]=3 144 B10R1.118 CC1OC(=O)C(C)OC1=O SBB007949 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.118 CC1OC(=O)C(C)OC1=O SBB008348 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.401 CCOC(=O)C1(N)CCC1 SBB003753 [0,1,0,1,0,0|0,0,2]=4 147 B10R2.320 O=C1NC2CC=CCC12 SBB056302 [0,0,0,2,0,0|1,0,0]=3 148 B10R2.483 C1=CC2(CC1)OCCO2 SBB059730 [0,0,0,2,0,0|0,0,2]=4