0 B8R0.11 C(=O)\C(=C\CCC)CC SBB008156 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.11 CCCCC(C=O)CC SBB060148 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.11 CCCCC(CC)CBr SBB059938 [0,0,0,0,0,0|1,0,3]=4 3 B8R0.11 CCCCC(CC)CCl SBB005809 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.11 CCCCC(CC)CI SBB061182 [0,0,0,0,0,0|1,0,3]=4 5 B8R0.11 CCCCC(CC)CO SBB059906 [0,0,0,0,0,0|0,0,4]=4 6 B8R0.11 NCC(CC)CCCC SBB006745 [0,0,0,0,0,0|1,0,3]=4 7 B7R0.3 C=C(CC)CCCC SBB060475 [1,0,0,0,0,0|0,0,1]=2 8 B7R0.3 CCC(=O)OCCCl SBB060315 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.3 CCCCC(=O)NN SBB028196 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.3 CCCNC(=O)CCl SBB016586 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.3 CCCOC(=O)CCl SBB060962 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.3 CCCOC(=O)CS SBB061003 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.3 CNCCC(=O)NC SBB046578 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.3 CNCCC(=O)NC SBB080433 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.3 COC(=O)\C=C\CBr SBB070730 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.3 O=C(CCl)OCCCl SBB061273 [1,0,0,0,0,0|3,0,0]=4 17 B9R0.13 CCCCC(CC)C(=O)Cl SBB058897 [0,1,0,0,0,0|0,0,2]=3 18 B9R0.13 CCCCC(CC)C(=O)O SBB060021 [0,1,0,0,0,0|0,0,2]=3 19 B9R0.13 CCCCC(CC)C(N)=O SBB061054 [0,1,0,0,0,0|0,0,2]=3 20 B9R0.37 CCCC(=O)N(CC)CC SBB008344 [0,1,0,0,0,0|2,0,1]=4 21 B9R1.1 CC1CCC(=NO)CC1 SBB108710 [0,0,0,1,0,0|1,0,2]=4 22 B9R1.1 CCC1=CC=C(C)N=C1 SBB060375 [0,0,0,1,0,0|1,0,2]=4 23 B9R1.15 CCC1CCCOC1=O SBB061552 [0,0,0,1,0,0|1,0,2]=4 24 B9R1.15 CCC1NCCNC1=O SBB010255 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.15 O=C1CCCCC1CO SBB054864 [0,0,0,1,0,0|1,0,2]=4 26 B9R1.21 C(=O)C1=CC(CC)=NO1 SBB073356 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.21 C(=O)C1=CN(CC)N=C1 SBB000003 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.21 CCN1C=C(CN)C=N1 SBB018639 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.21 CCN1C=C(CO)C=N1 SBB019664 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.89 O=CC1CCCCCC1 SBB059644 [0,0,0,1,0,0|0,0,2]=3 31 B9R1.89 O=CN1CCCNCC1 SBB040967 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.132 CC1=C(C=O)C=NN1C SBB000016 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.132 CC1=NC=C(C=O)N1C SBB046710 [0,0,0,1,0,0|2,0,1]=4 34 B6R0.1 CCCC(=O)CC SBB061496 [2,0,0,0,0,0|0,0,0]=2 35 B6R0.1 CCCC(=O)NN SBB028175 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.1 CCCC(=O)OC SBB061104 [2,0,0,0,0,0|1,0,0]=3 37 B6R0.1 CCCC(O)CC SBB061363 [2,0,0,0,0,0|0,0,2]=4 38 B6R0.1 CCNC(=O)CBr SBB051008 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.1 CCNC(=O)CCl SBB008200 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.1 CCOC(=O)CBr SBB060995 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.1 CCOC(=O)CC SBB060312 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.1 COC(=O)CCBr SBB070709 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.1 COC(=O)CCN SBB071679 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.1 C\C=C\C(=O)OC SBB061218 [2,0,0,0,0,0|1,0,1]=4 45 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.4 CC(=O)NCCCl SBB008165 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.4 CC(=O)NCCN SBB028176 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.4 CC(=O)NCCO SBB007954 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.4 CC(=O)OCCCl SBB058505 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.4 CCC#CC(C)=O SBB009086 [2,0,0,0,0,0|0,0,2]=4 51 B6R0.4 CCCCC(=O)O SBB053585 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.4 CCCCC(C)=O SBB061262 [2,0,0,0,0,0|0,0,1]=3 53 B6R0.4 CCCCC(N)=O SBB028169 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.4 CCCNC(N)=O SBB028174 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.4 CCCOC(C)=O SBB060305 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.4 CCCOC(N)=O SBB000036 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.4 CC\C=C\C(=O)O SBB061994 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.6 CCCCNC=O SBB060026 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.6 CCCCOC=O SBB060300 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.6 CCCCSCC SBB061178 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.6 CCCNCCC SBB059762 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.6 CCCSCCC SBB061017 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.6 CCC\C=C\C=O SBB067097 [2,0,0,0,0,0|0,0,0]=2 64 B6R0.6 CC\C=C/CCO SBB007739 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.9 CC=C(CC)CC SBB059883 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.9 CCC(C=O)CC SBB059875 [2,0,0,0,0,0|0,0,1]=3 67 B6R0.9 CCN(C=O)CC SBB056822 [2,0,0,0,0,0|1,0,0]=3 68 B8R0.1 CCC#CC(=O)OCC SBB008819 [1,1,0,0,0,0|0,0,2]=4 69 B8R0.1 CCCC(=O)OCCCl SBB061294 [1,1,0,0,0,0|2,0,0]=4 70 B8R0.1 CCCCC(=O)OCC SBB061113 [1,1,0,0,0,0|0,0,1]=3 71 B8R0.1 CCCCS(=O)CCO SBB019077 [1,1,0,0,0,0|1,0,1]=4 72 B8R0.1 CCCNC(=O)CC#N SBB049417 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.1 CCCOC(=O)CCC SBB061105 [1,1,0,0,0,0|1,0,0]=3 74 B8R0.1 CCOC(=O)CCCBr SBB070757 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.1 CCOC(=O)CCCN SBB003878 [1,1,0,0,0,0|1,0,1]=4 76 B8R0.1 CCOC(=O)NCCO SBB079074 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.1 CCOC(=O)\C=C\CBr SBB070755 [1,1,0,0,0,0|1,0,1]=4 78 B8R0.1 O=C(CCS)OCCO SBB008479 [1,1,0,0,0,0|2,0,0]=4 79 B8R0.3 CCOC(=O)C(=O)CBr SBB054095 [1,1,0,0,0,0|2,0,0]=4 80 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [1,1,0,0,0,0|1,0,0]=3 81 B8R0.6 CCCC#CC(=O)OC SBB069575 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.6 CCCCCC(=O)CC SBB060388 [1,1,0,0,0,0|0,0,1]=3 83 B8R0.6 CCCCCC(=O)OC SBB060591 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.6 CCCCNC(=O)CCl SBB010319 [1,1,0,0,0,0|1,0,1]=4 85 B8R0.6 CCCCOC(=O)CC SBB060578 [1,1,0,0,0,0|0,0,1]=3 86 B8R0.6 CCCCOC(=O)CCl SBB060760 [1,1,0,0,0,0|1,0,1]=4 87 B8R0.6 CCCCOC(=O)CF SBB085867 [1,1,0,0,0,0|1,0,1]=4 88 B8R0.6 CCCCOC(=O)CS SBB061004 [1,1,0,0,0,0|1,0,1]=4 89 B8R0.6 COC(=O)CCCCBr SBB070759 [1,1,0,0,0,0|1,0,1]=4 90 B8R0.6 COCCNC(=O)CCl SBB038704 [1,1,0,0,0,0|2,0,0]=4 91 B8R0.8 CC(O)C(=O)NCCO SBB008212 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [1,1,0,0,0,0|0,0,2]=4 93 B8R0.8 CCCCC(=O)N(C)C SBB007992 [1,1,0,0,0,0|1,0,1]=4 94 B8R0.8 CCCCC(C)C(=O)O SBB072714 [1,1,0,0,0,0|0,0,2]=4 95 B8R0.8 CCCOC(=O)C(C)Cl SBB060963 [1,1,0,0,0,0|1,0,0]=3 96 B8R0.9 CC(C)COC(=O)CCl SBB060938 [1,1,0,0,0,0|2,0,0]=4 97 B8R0.9 CC(C)COC(=O)CS SBB061005 [1,1,0,0,0,0|2,0,0]=4 98 B8R0.9 CCC(=O)OCC(C)C SBB060974 [1,1,0,0,0,0|1,0,0]=3 99 B8R0.9 COC(=O)\C=C\C(C)C SBB061964 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.19 CCC(=O)OC(=O)CC SBB060267 [1,1,0,0,0,0|1,0,1]=4 101 B8R0.19 CCC(=O)OC(C)CC SBB061103 [1,1,0,0,0,0|1,0,0]=3 102 B8R0.15 CCOC(CC)C(N)=O SBB116764 [1,1,0,0,0,0|1,0,1]=4 103 B8R0.22 C(=O)N(CCC)CCC SBB008026 [1,1,0,0,0,0|1,0,0]=3 104 B8R0.22 CCCC(C=O)CCC SBB052355 [1,1,0,0,0,0|0,0,1]=3 105 B10R0.85 CCCCC(CC)C(=O)NN SBB046909 [0,2,0,0,0,0|0,0,2]=4 106 B10R0.85 CCCCC(CC)C(=O)OC SBB061118 [0,2,0,0,0,0|0,0,2]=4 107 B10R0.101 CCOC(=O)C(CC)C(C)=O SBB079228 [0,2,0,0,0,0|1,0,1]=4 108 B8R1.1 CCC1COC(=O)O1 SBB008625 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.2 C#CC1=CCCCC1 SBB002648 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.2 C(=O)N1CCCCC1 SBB004316 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.2 N#CC1=CCCCC1 SBB007873 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.2 O=CC1=CCCOC1 SBB018863 [1,0,0,1,0,0|1,0,0]=3 115 B8R1.3 CN1CCC(=O)CC1 SBB080527 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.3 O=C1CCC(O)CC1 SBB056283 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.5 CC1=C(C)CCCC1 SBB060472 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.5 CC1CCCCC1=O SBB058517 [1,0,0,1,0,0|0,0,1]=3 119 B8R1.5 CC1NCCNC1=O SBB080100 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.5 CC1SCCNC1=O SBB111924 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.5 NC1CCCNC1=O SBB012739 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.5 O=C1CCCCC1Cl SBB061548 [1,0,0,1,0,0|1,0,1]=4 123 B8R1.22 O=C1CCCCCC1 SBB060075 [1,0,0,1,0,0|0,0,1]=3 124 B8R1.22 O=C1CCCCCN1 SBB058658 [1,0,0,1,0,0|1,0,0]=3 125 B8R1.22 O=C1CCNCCN1 SBB056241 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.38 COC(=O)C1CCC1 SBB071501 [1,0,0,1,0,0|1,0,1]=4 127 B8R1.40 O=C(CCl)NC1CC1 SBB016595 [1,0,0,1,0,0|2,0,0]=4 128 B10R1.13 CC1CCC(C(=O)O)CC1 SBB065950 [0,1,0,1,0,0|0,0,2]=4 129 B10R1.19 C=CN1CCCCCC1=O SBB056203 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.31 CCN1C=C(C(C)N)C=N1 SBB025948 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.31 CCN1C=C(C(C)O)C=N1 SBB026904 [0,1,0,1,0,0|2,0,0]=4 132 B10R1.35 CCN1C=C(C=O)C(C)=N1 SBB000015 [0,1,0,1,0,0|1,0,1]=4 133 B10R1.348 O=C(O)C1CCCCCC1 SBB008467 [0,1,0,1,0,0|0,0,2]=4 134 B10R1.258 CCN1N=CC(C=O)=C1C SBB000014 [0,1,0,1,0,0|1,0,1]=4 135 B10R1.96 CCCC1=CC=C(C=O)O1 SBB302490 [0,1,0,1,0,0|0,0,2]=4 136 B10R1.96 CCCC1=CC=C(C=O)S1 SBB010356 [0,1,0,1,0,0|0,0,2]=4 137 B10R1.96 CCCN1C=C(C=O)C=N1 SBB010272 [0,1,0,1,0,0|1,0,1]=4 138 B10R1.96 CCCN1C=C(CN)C=N1 SBB022376 [0,1,0,1,0,0|2,0,0]=4 139 B10R1.96 CCN1C=C(CNC)C=N1 SBB004175 [0,1,0,1,0,0|2,0,0]=4 140 B10R1.161 COC1=CCCCCCC1 SBB008525 [0,1,0,1,0,0|2,0,0]=4 141 B10R1.161 O=CC1CCCCCCC1 SBB059655 [0,1,0,1,0,0|0,0,2]=4 142 B10R1.3 CCC1=CC=C(CC)C=C1 SBB061169 [0,1,0,1,0,0|1,0,1]=4