0 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.35 CCNC(=O)C(=O)NCC SBB007900 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.35 CCOC(=O)C(=O)OCC SBB040948 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.35 CCOC(=O)C(C)N=C=O SBB048880 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.35 CCOC(=O)C(C)N=C=S SBB050954 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.1 CCC#CC(=O)OCC SBB008819 [1,0,0,0,0,0|0,0,2]=3 6 B8R0.1 CCCC(=O)OCCCl SBB061294 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.1 CCCCC(=O)OCC SBB061113 [1,0,0,0,0,0|0,0,0]=1 8 B8R0.1 CCCCC(O)CCC SBB059905 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.1 CCCCS(=O)CCO SBB019077 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.1 CCCOC(=O)CCC SBB061105 [1,0,0,0,0,0|2,0,0]=3 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|2,0,1]=4 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 B8R0.3 CCN(C)C(C)CCN SBB046528 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.3 CCOC(=O)C(=O)CBr SBB054095 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [1,0,0,0,0,0|1,0,1]=3 19 B8R0.3 CCOC(=O)C(Br)CC SBB070758 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.3 CCOC(=O)C(Cl)C=O SBB054117 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.3 CCOC(=O)C(N)CC SBB072718 [1,0,0,0,0,0|1,0,0]=2 22 B8R0.3 CCOC(=O)[C@@H](N)CS SBB065777 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.3 CCOC(C)C(=O)NN SBB080048 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.3 COC(=O)C(C)CCCl SBB054131 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.3 COC(=O)[C@@H](N)CSC SBB080950 [1,0,0,0,0,0|2,0,0]=3 26 B10R0.19 CCCCC(Br)C(=O)OCC SBB070817 [0,1,0,0,0,0|1,0,0]=2 27 B10R0.19 CCOC(=O)C(N)CCSC SBB000541 [0,1,0,0,0,0|1,0,0]=2 28 B10R0.19 CCOC(=O)[C@@H](N)CCCN SBB070614 [0,1,0,0,0,0|1,0,0]=2 29 B10R0.32 CCOC(=O)C(=O)CC(C)=O SBB008612 [0,1,0,0,0,0|1,0,2]=4 30 B10R0.32 CCOC(=O)C(N)CC(C)C SBB048376 [0,1,0,0,0,0|1,0,0]=2 31 B10R1.4 C=CCC1CCCCC1=O SBB006544 [0,0,0,1,0,0|1,0,2]=4 32 B10R1.11 CCOC(=O)C1SCCS1 SBB056950 [0,0,0,1,0,0|2,0,0]=3 33 B10R1.118 CC1OC(=O)C(C)OC1=O SBB007949 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.118 CC1OC(=O)C(C)OC1=O SBB008348 [0,0,0,1,0,0|2,0,1]=4 35 B10R1.118 [C@H]1(C)C[C@@H](C)C(=O)OC1=O SBB086230 [0,0,0,1,0,0|1,0,1]=3 36 B10R1.401 CCOC(=O)C1(N)CCC1 SBB003753 [0,0,0,1,0,0|1,0,0]=2 37 B10R0.2 CCCC(=O)CC(=O)OCC SBB061679 [0,0,0,0,0,1|1,0,1]=3 38 B10R0.2 CCCC(=O)OC(=O)CCC SBB040852 [0,0,0,0,0,1|2,0,1]=4 39 B10R0.2 CCNC(C)CC(=O)OCC SBB046533 [0,0,0,0,0,1|1,0,0]=2 40 B10R0.2 CCOC(=N)CC(=O)OCC SBB002620 [0,0,0,0,0,1|2,0,1]=4 41 B10R0.2 CCOC(=O)CC(=O)OCC SBB040813 [0,0,0,0,0,1|2,0,1]=4 42 B10R0.2 CCOC(=O)C[C@H](O)CC#N SBB067618 [0,0,0,0,0,1|2,0,1]=4 43 B10R0.2 CCOC(=O)NC(=O)OCC SBB008155 [0,0,0,0,0,1|2,0,1]=4 44 B10R0.2 CCOC(=O)\C=C(/C)OCC SBB058446 [0,0,0,0,0,1|1,0,1]=3 45 B10R0.2 CCOC(=O)\C=C(/N)OCC SBB003590 [0,0,0,0,0,1|2,0,1]=4 46 B7R0.1 CCCCNCCC SBB059822 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.3 C=C(CC)CCCC SBB060475 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.3 CCC(=O)OCCCl SBB060315 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.3 CCCCC(=O)NN SBB028196 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.3 CCCNC(=O)CCl SBB016586 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.3 CCCOC(=O)CCl SBB060962 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.3 CCCOC(=O)CS SBB061003 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.3 CNCCC(=O)NC SBB046578 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.3 CNCCC(=O)NC SBB080433 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.3 COC(=N)CCCCl SBB056505 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.7 CC#CC(=O)OCC SBB069554 [2,0,0,0,0,0|0,0,2]=4 57 B7R0.7 CCCC(=O)CCC SBB060386 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.7 CCCC(N)CCC SBB018801 [2,0,0,0,0,0|1,0,1]=4 59 B7R0.7 CCCC(O)CCC SBB061327 [2,0,0,0,0,0|1,0,1]=4 60 B7R0.7 CCCN(C)CCC SBB061592 [2,0,0,0,0,0|1,0,1]=4 61 B7R0.7 CCNC(=O)NCC SBB058550 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.7 CCNC(C)CCO SBB046562 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.7 CCOC(=O)CC#N SBB040821 [2,0,0,0,0,0|1,0,1]=4 64 B7R0.7 CCOC(=O)CCBr SBB070739 [2,0,0,0,0,0|1,0,0]=3 65 B7R0.7 CCOC(=O)CCN SBB004038 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.7 CCOC(=O)CNN SBB021976 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.7 CCOC(=O)CNN SBB054137 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.7 CCOC(=O)OCC SBB060086 [2,0,0,0,0,0|1,0,0]=3 69 B7R0.7 CCOC(C)OCC SBB058503 [2,0,0,0,0,0|1,0,0]=3 70 B7R0.7 CCOS(=O)OCC SBB060108 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.7 C\C=C\C(=O)OCC SBB061219 [2,0,0,0,0,0|0,0,2]=4 72 B7R0.7 N(C)CC(=O)OCC SBB004039 [2,0,0,0,0,0|1,0,0]=3 73 B7R0.7 P(=O)(OCC)OCC SBB056825 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.5 C=C(C)C(=O)OCC SBB061402 [2,0,0,0,0,0|0,0,2]=4 75 B7R0.5 CCCC(=O)N(C)C SBB008345 [2,0,0,0,0,0|2,0,0]=4 76 B7R0.5 CCCC(Br)C(=O)O SBB065976 [2,0,0,0,0,0|1,0,0]=3 77 B7R0.5 CCCC(C)C(=O)O SBB065915 [2,0,0,0,0,0|0,0,0]=2 78 B7R0.5 CCCC(C)C(C)O SBB061491 [2,0,0,0,0,0|0,0,2]=4 79 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [2,0,0,0,0,0|1,0,0]=3 80 B7R0.5 CCOC(=O)C(C)Br SBB058608 [2,0,0,0,0,0|1,0,0]=3 81 B7R0.5 CCOC(=O)C(C)C SBB060711 [2,0,0,0,0,0|0,0,0]=2 82 B7R0.5 CCOC(=O)C(C)N SBB004040 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.5 CCOC(=O)C(F)Br SBB070746 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.5 CCOC(=O)C(F)I SBB097841 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [2,0,0,0,0,0|0,0,2]=4 86 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.5 NC(CCO)C(=O)O SBB065734 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.5 NC(CCS)C(=O)O SBB065757 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.5 NCCC(N)C(=O)O SBB053580 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.5 NCCC(N)C(=O)O SBB066000 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.5 NCCC(O)C(=O)O SBB066010 [2,0,0,0,0,0|2,0,0]=4 92 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [2,0,0,0,0,0|2,0,0]=4 93 B7R0.10 CCC(Br)C(=O)OC SBB070737 [2,0,0,0,0,0|1,0,0]=3 94 B7R0.10 COC(=O)C(N)CO SBB004026 [2,0,0,0,0,0|2,0,0]=4 95 B7R0.10 COC(=O)C(N)CS SBB054105 [2,0,0,0,0,0|2,0,0]=4 96 B9R0.5 CCCC#CC(=O)OCC SBB008805 [1,1,0,0,0,0|0,0,1]=3 97 B9R0.5 CCCCCC(=O)CCC SBB005828 [1,1,0,0,0,0|1,0,0]=3 98 B9R0.5 CCCCCC(=O)OCC SBB060316 [1,1,0,0,0,0|0,0,0]=2 99 B9R0.5 CCCCOC(=O)CCC SBB061107 [1,1,0,0,0,0|1,0,0]=3 100 B9R0.5 CCOC(=O)CCCCBr SBB070781 [1,1,0,0,0,0|0,0,0]=2 101 B9R0.5 CCOC(=O)CCN=C=O SBB046971 [1,1,0,0,0,0|1,0,1]=4 102 B9R0.5 CCO\C=C\C(=O)OCC SBB086340 [1,1,0,0,0,0|0,0,2]=4 103 B9R0.18 CCCCC(=O)CCCC SBB060073 [1,1,0,0,0,0|1,0,0]=3 104 B9R0.18 CCCCC(=O)OCCC SBB061228 [1,1,0,0,0,0|0,0,0]=2 105 B9R0.18 CCCCS(=O)CCCC SBB060669 [1,1,0,0,0,0|2,0,0]=4 106 B9R0.34 CCOC(=O)CC(=O)CCl SBB040868 [1,1,0,0,0,0|1,0,1]=4 107 B9R0.34 CCOC(=O)CC(C)NC SBB046551 [1,1,0,0,0,0|1,0,0]=3 108 B9R0.34 CCOC(=O)C[C@H](O)CCl SBB070707 [1,1,0,0,0,0|1,0,0]=3 109 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [1,1,0,0,0,0|1,0,1]=4 110 B9R0.48 CCCC(=O)OCC(C)C SBB061108 [1,1,0,0,0,0|2,0,0]=4 111 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [1,1,0,0,0,0|1,0,1]=4 112 B9R0.6 CCOC(=O)C(Br)C(C)C SBB005789 [1,1,0,0,0,0|1,0,0]=3 113 B9R0.6 CCOC(=O)C(C)C(C)=O SBB060347 [1,1,0,0,0,0|0,0,1]=3 114 B9R0.6 CCOC(=O)C(Cl)C(C)=O SBB040841 [1,1,0,0,0,0|1,0,1]=4 115 B9R0.6 CCOC(=O)[C@@H](N)C(C)C SBB054134 [1,1,0,0,0,0|1,0,0]=3 116 B9R0.19 CCOC(=O)C(C)(C)C#N SBB050264 [1,1,0,0,0,0|1,0,1]=4 117 B9R0.19 CCOC(=O)C(C)(C)CCl SBB087854 [1,1,0,0,0,0|1,0,0]=3 118 B9R0.23 COC(=O)C(C)CN(C)C SBB047158 [1,1,0,0,0,0|1,0,0]=3 119 B9R0.23 COC(=O)[C@@H](N)CC(C)C SBB302662 [1,1,0,0,0,0|1,0,0]=3 120 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC SBB010304 [1,1,0,0,0,0|1,0,0]=3 121 B9R0.37 CCCC(=O)N(CC)CC SBB008344 [1,1,0,0,0,0|2,0,0]=4 122 B11R0.182 CCOC(=O)\C=C(\CBr)OCC SBB098732 [0,1,0,0,0,1|1,0,1]=4 123 B11R0.11 CCCOC(=O)C(=O)OCCC SBB060321 [0,2,0,0,0,0|1,0,1]=4 124 B11R0.43 CCOC(=O)C(=O)CC(=O)CC SBB026562 [0,2,0,0,0,0|1,0,1]=4 125 B11R0.68 CSCC[C@@H](N)C(=O)OC(C)C SBB070583 [0,2,0,0,0,0|1,0,0]=3 126 B11R0.155 CCOC(=O)C(N)CCCCN SBB058160 [0,2,0,0,0,0|1,0,0]=3 127 B11R0.191 CCCCC(C#N)C(=O)OCC SBB069508 [0,2,0,0,0,0|0,0,1]=3 128 B11R0.191 CCCCC(CC)C(=O)OCC SBB061119 [0,2,0,0,0,0|0,0,0]=2 129 B11R0.186 CCC[C@H](N)C(=O)OC(C)(C)C SBB070466 [0,2,0,0,0,0|1,0,0]=3 130 B11R0.186 CCOC(=O)C(C)CC(F)(F)F SBB090133 [0,2,0,0,0,0|1,0,0]=3 131 B11R0.57 C=CCC(C(C)=O)C(=O)OCC SBB047650 [0,2,0,0,0,0|0,0,2]=4 132 B11R0.61 CCOC(=O)C(OCC)OCC SBB089170 [0,2,0,0,0,0|1,0,0]=3 133 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.8 CCCC1CCCCN1 SBB017578 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.8 CCCC1CCCCN1 SBB050937 [1,0,0,1,0,0|2,0,0]=4 137 B9R1.8 NCCC1CCCOC1 SBB050548 [1,0,0,1,0,0|1,0,1]=4 138 B9R1.12 CCCNC1CCCC1 SBB080044 [1,0,0,1,0,0|2,0,0]=4 139 B9R1.15 CCC1CCCOC1=O SBB061552 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.15 O=C1CCCCC1CO SBB054864 [1,0,0,1,0,0|2,0,0]=4 141 B9R1.33 O=C1OCCN1CCO SBB007726 [1,0,0,1,0,0|2,0,0]=4 142 B9R1.50 O=C1CCCCCCC1 SBB008888 [1,0,0,1,0,0|1,0,0]=3 143 B9R1.73 CCOC(=O)C1CCC1 SBB059126 [1,0,0,1,0,0|0,0,0]=2 144 B9R1.3 CC1CCCC(C)C1=O SBB059688 [1,0,0,1,0,0|0,0,0]=2 145 B9R1.3 CC1CCCC(C)N1N SBB061736 [1,0,0,1,0,0|2,0,0]=4 146 B9R1.3 CN1CCCN(C)C1=O SBB058374 [1,0,0,1,0,0|2,0,0]=4 147 B9R1.5 CN1CCCCCC1=O SBB056535 [1,0,0,1,0,0|1,0,0]=3 148 B9R1.5 NC1CCCCNC1=O SBB056282 [1,0,0,1,0,0|2,0,0]=4 149 B9R1.5 O=C1CCCCCN1Br SBB057855 [1,0,0,1,0,0|2,0,0]=4 150 B9R1.11 COC(=O)C1CCCC1 SBB071502 [1,0,0,1,0,0|0,0,0]=2 151 B9R1.11 COC(=O)C1CCCN1 SBB046302 [1,0,0,1,0,0|1,0,0]=3 152 B9R1.11 COC(=O)C1CCCN1 SBB054027 [1,0,0,1,0,0|1,0,0]=3 153 B9R1.11 COC(=O)[C@@H]1CCCN1 SBB003904 [1,0,0,1,0,0|1,0,0]=3 154 B9R1.11 NNC(=O)C1CCCC1 SBB046301 [1,0,0,1,0,0|2,0,0]=4 155 B9R1.11 O=C(CCl)N1CCCC1 SBB005370 [1,0,0,1,0,0|2,0,0]=4 156 B11R1.30 CCOC(=O)CN1CCCC1 SBB111745 [0,0,0,1,0,1|1,0,0]=3 157 B11R1.199 CCOC(=O)C1CCCC1=O SBB048123 [0,0,0,1,0,1|1,0,1]=4 158 B11R1.334 CCOC(=O)CC(=O)C1CC1 SBB025114 [0,0,0,1,0,1|1,0,1]=4 159 B11R1.15 CCOC(=O)C1CC(O)CN1 SBB010410 [0,1,0,1,0,0|1,0,0]=3 160 B11R1.15 N1C(=O)CC[C@@H]1C(=O)OCC SBB017510 [0,1,0,1,0,0|1,0,1]=4 161 B11R1.15 N1C(=O)CC[C@H]1C(=O)OCC SBB017516 [0,1,0,1,0,0|1,0,1]=4 162 B11R1.16 CCOC(=O)C1CCCNC1 SBB027354 [0,1,0,1,0,0|0,0,0]=2 163 B11R1.16 CCOC(=O)C1CCNCC1 SBB004006 [0,1,0,1,0,0|0,0,0]=2 164 B11R1.16 CCOC(=O)C1CNCCO1 SBB054017 [0,1,0,1,0,0|1,0,0]=3 165 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 SBB054010 [0,1,0,1,0,0|0,0,0]=2 166 B11R1.16 CCOC(=O)[C@H]1CCCNC1 SBB066252 [0,1,0,1,0,0|0,0,0]=2 167 B11R1.16 N1CCN(C(=O)OCC)CC1 SBB003993 [0,1,0,1,0,0|1,0,0]=3 168 B11R1.17 N#CCCC1CCCCC1=O SBB005853 [0,1,0,1,0,0|1,0,1]=4 169 B11R1.819 CCOC(=O)C1(N)CCCC1 SBB116027 [0,1,0,1,0,0|0,0,0]=2 170 B11R1.86 CN(C)CC1CCCCC1=O SBB052510 [0,1,0,1,0,0|2,0,0]=4 171 B11R1.86 CN(C)CC1CCCCC1=O SBB062890 [0,1,0,1,0,0|2,0,0]=4 172 B11R1.645 CC(O)CN1CC(C)OC1=O SBB051454 [0,1,0,1,0,0|1,0,0]=3 173 B11R1.222 CCC(=O)C1CCCCC1=O SBB056586 [0,1,0,1,0,0|1,0,1]=4 174 B11R2.106 O=C1CCNC2CCCC12 SBB002318 [0,0,0,2,0,0|2,0,0]=4