0 B11R1.3 CC(=C)C1CCC(=CC1)C#N Amb18124856 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.3 CC(=C)C1CCC(CBr)=CC1 Amb24558287 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.3 CC(=C)C1CCC(CC1)C=O Amb24689232 [0,0,0,0,0,0|0,0,2]=2 3 B11R1.3 CC(=C)C1CCC(CCl)CC1 Amb24426170 [0,0,0,0,0,0|1,0,3]=4 4 B11R1.3 CC(=C)C1CCC(CN)CC1 Amb25684708 [0,0,0,0,0,0|1,0,3]=4 5 B11R1.3 CC(=C)[C@@H]1CCC(CO)=CC1 Amb18511857 [0,0,0,0,0,0|0,0,2]=2 6 B11R1.3 CC(=C)[C@@H]1CC[C@@H](CO)CC1 Amb24593226 [0,0,0,0,0,0|0,0,4]=4 7 B11R1.3 CC(=C)[C@H]1CCC(CBr)=CC1 Amb25835792 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.3 CC(=C)[C@H]1CCC(CN)=CC1 Amb25824070 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.3 CC(=C)c1ccc(C=O)[n]c1 Amb25735693 [0,0,0,0,0,0|1,0,3]=4 10 B11R1.3 CC(=C)c1ccc(C=O)c[n]1 Amb25194834 [0,0,0,0,0,0|1,0,3]=4 11 B11R1.3 CC(=O)C1CC=C(CC1)C=C Amb24721724 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.3 CC(=O)C1CC=C(CC1)C=O Amb18125422 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.3 CC(=O)C1CC=C(CC1)CC Amb25151632 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.3 CC(=O)C1CCC(=CC1)C#C Amb24758184 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.3 CC(=O)C1CCC(=CC1)C#N Amb25137258 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.3 CC(=O)C1CCN(CC1)C=O Amb25205764 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.3 CC(=O)N1CC=C(CC1)OC Amb24105761 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.3 CC(=O)N1CCC(=CC1)C#N Amb25307075 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.3 CC(=O)[C@H]1CCC(=CC1)C#N Amb25707792 [0,0,0,0,0,0|2,0,1]=3 20 B11R1.3 CC(C)=C1CC=C(CC1)C=O Amb25289276 [0,0,0,0,0,0|0,0,2]=2 21 B11R1.3 CC(C)=C1CCC(CC1)C=O Amb24737396 [0,0,0,0,0,0|0,0,4]=4 22 B11R1.3 CC(C)=C1CCC(CO)=CC1 Amb25792434 [0,0,0,0,0,0|0,0,4]=4 23 B11R1.3 CC(C)C1CC=C(CC1)C=O Amb18125484 [0,0,0,0,0,0|0,0,2]=2 24 B11R1.3 CC(C)C1CCC(CN)=CC1 Amb24398710 [0,0,0,0,0,0|1,0,3]=4 25 B11R1.3 CC(C)[C@@H]1CCC(CO)=CC1 Amb24583769 [0,0,0,0,0,0|0,0,4]=4 26 B11R1.3 CC(C)[C@H]1CC=C(CC1)C=O Amb25828451 [0,0,0,0,0,0|0,0,2]=2 27 B11R1.3 CC(C)[C@H]1CCC(CO)=CC1 Amb24661211 [0,0,0,0,0,0|0,0,4]=4 28 B11R1.3 CC(O)C1CC=C(CC1)OC Amb24462037 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.3 N#CC=1CCC(CC1)C(O)=O Amb25110073 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.3 O=CC1=CC[C@@H](CC1)C(=C)C Amb17619206 [0,0,0,0,0,0|0,0,0]=0 31 B11R1.3 O=CC1CCN(CC1)C(=O)C Amb17080381 [0,0,0,0,0,0|2,0,2]=4 32 B11R1.3 O=CN1CCN(CC1)C(=O)C Amb1871294 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.3 O=Cc1ccc(cc1)C(=C)C Amb16232119 [0,0,0,0,0,0|0,0,4]=4 34 B10R1.3 C=CC1CCC(CC1)C=O Amb25134130 [1,0,0,0,0,0|0,0,2]=3 35 B10R1.3 C=CC=1CCC(CC1)C=O Amb24707687 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.3 C=CC=1CC[C@@H](CC1)C=O Amb24478385 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.3 CCC1CC=C(CC1)C#N Amb19281003 [1,0,0,0,0,0|1,0,2]=4 38 B10R1.3 CNC1CCC(CC1)C=O Amb24366476 [1,0,0,0,0,0|1,0,2]=4 39 B10R1.3 CN[C@H]1CC[C@H](CC1)C=O Amb25142828 [1,0,0,0,0,0|1,0,2]=4 40 B10R1.3 COC1CC=C(CC1)C=O Amb25827185 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.3 O=CC1CCC(=CC1)OC Amb17593543 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.3 O=CC1CCC(CC1)C=O Amb18643570 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.3 O=C[C@@H]1CC[C@H](CC1)C=O Amb25232530 [1,0,0,0,0,0|1,0,2]=4 44 B10R1.13 C=C1CCC(CC1)C(=C)C Amb10845321 [1,0,0,0,0,0|0,0,1]=2 45 B10R1.13 CC(=C)[C@@H]1CCC(=O)C=C1 Amb25285752 [1,0,0,0,0,0|0,0,1]=2 46 B10R1.13 CC(=C)[C@H]1CCC(=O)C=C1 Amb24646790 [1,0,0,0,0,0|0,0,1]=2 47 B10R1.13 CC(=O)C1CCC(=O)C=C1 Amb25718503 [1,0,0,0,0,0|1,0,1]=3 48 B10R1.13 CC(=O)C1CCC(=O)OC1 Amb25092970 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.13 CC(=O)C1CCC(Br)=CC1 Amb25756617 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.13 CC(=O)N1CCC(Br)=CC1 Amb24321343 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.13 CC(=O)N1CCC(Cl)=CC1 Amb24321344 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.13 CC(=O)N1CCC(I)=CC1 Amb24321342 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.13 CC(C)=C1CC=C(C)CC1 Amb18511847 [1,0,0,0,0,0|0,0,3]=4 54 B10R1.13 CC(C)=C1CCC(=O)C=C1 Amb25236964 [1,0,0,0,0,0|0,0,3]=4 55 B10R1.13 CC(C)=C1CCC(O)=CC1 Amb24479292 [1,0,0,0,0,0|0,0,3]=4 56 B10R1.13 CC(C)C1CC=C(C)CC1 Amb22224798 [1,0,0,0,0,0|0,0,3]=4 57 B10R1.13 CC(C)C1CCC(=C)C=C1 Amb22001910 [1,0,0,0,0,0|0,0,3]=4 58 B10R1.13 CC(C)C1CCC(=O)OC1 Amb25701848 [1,0,0,0,0,0|1,0,2]=4 59 B10R1.13 CC(C)[C@@H]1CCC(=O)C=C1 Amb22746059 [1,0,0,0,0,0|0,0,3]=4 60 B10R1.13 CC(C)[C@H]1CC=C(C)CC1 Amb22369396 [1,0,0,0,0,0|0,0,3]=4 61 B10R1.13 CC(C)[C@H]1CCC(=O)C=C1 Amb24737537 [1,0,0,0,0,0|0,0,3]=4 62 B10R1.13 CC(N)C1CCC(=O)CC1 Amb25327929 [1,0,0,0,0,0|1,0,2]=4 63 B10R1.13 CC1=CCC(CS1)C(C)=O Amb25767908 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.13 CC1CCC(CC1)C(C)=C Amb25340292 [1,0,0,0,0,0|0,0,3]=4 65 B10R1.13 CC=1CCC(CC1)C(=O)Cl Amb24654574 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.13 CC=1CCC(CC1)C(O)=O Amb18124574 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.13 CC=1CC[C@@H](CC1)C(=O)Cl Amb24709289 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.13 CC=1CC[C@@H](CC1)C(O)=O Amb24746758 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.13 CC=1CC[C@H](CC1)C(C)=O Amb24721964 [1,0,0,0,0,0|1,0,1]=3 70 B10R1.13 CC=1CC[C@H](CC1)C(O)=O Amb24505311 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.13 CN(C)C1CCC(=O)CC1 Amb19515944 [1,0,0,0,0,0|1,0,2]=4 72 B10R1.13 CN(C)C1CCC(=O)CC1 Amb21857223 [1,0,0,0,0,0|1,0,2]=4 73 B10R1.13 CP(C)C1CCC(=O)CC1 Amb24505080 [1,0,0,0,0,0|1,0,2]=4 74 B10R1.13 C[C@@H](N)[C@H]1CC=C(C)CC1 Amb25235814 [1,0,0,0,0,0|1,0,2]=4 75 B10R1.13 C[C@@H](O)[C@H]1CC=C(C)CC1 Amb24646189 [1,0,0,0,0,0|1,0,2]=4 76 B10R1.13 C[C@@H]1CC[C@H](C=C1)C(C)=C Amb22232036 [1,0,0,0,0,0|0,0,3]=4 77 B10R1.13 C[C@H](N)C1CCC(=O)CC1 Amb24655104 [1,0,0,0,0,0|1,0,2]=4 78 B10R1.13 C[C@H](O)C1CCC(=O)CC1 Amb24401648 [1,0,0,0,0,0|1,0,2]=4 79 B10R1.13 NC(=O)C1CCC(=O)CC1 Amb21964140 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.13 NC(=O)C1CCC(=O)NC1 Amb20668378 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.13 NC(=O)C1CCC(F)=CC1 Amb24411550 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.13 O=C1CCC(CC1)C(=O)Cl Amb10071440 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.13 O=C1CCN(CC1)C(=O)C Amb2582739 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.13 OC(=O)C1CCC(=C)CC1 Amb15695314 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.13 OC(=O)C1CCC(=O)SC1 Amb24637279 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.13 OC(=O)C1CCC(Cl)=CC1 Amb18645430 [1,0,0,0,0,0|3,0,0]=4 87 B12R1.5 C=C(CO)C1CCC(CO)=CC1 Amb25051325 [0,1,0,0,0,0|0,0,2]=3 88 B12R1.5 CC(OC)C1CC=C(CC1)C=O Amb24662615 [0,1,0,0,0,0|0,0,2]=3 89 B12R1.5 CNC(=O)C1CCN(CC1)C=O Amb24485408 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.5 COC(=O)C1CCC(CC1)C=O Amb18647354 [0,1,0,0,0,0|1,0,2]=4 91 B12R1.5 COC(=O)C1CCC(CCl)=CC1 Amb25138787 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.5 COC(=O)C1CCN(CC1)C=O Amb13885448 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.5 COC(=O)[C@@H]1CC[C@H](CC1)C=O Amb22745125 [0,1,0,0,0,0|1,0,2]=4 94 B12R1.5 COC(=O)[C@H]1CC[C@H](CC1)C=O Amb24452608 [0,1,0,0,0,0|1,0,2]=4 95 B12R1.6 CC(C)(C)C1CC=C(CC1)C=O Amb18646631 [0,1,0,0,0,0|0,0,2]=3 96 B12R1.6 CC(C)(Cl)C1CC=C(CC1)C=O Amb18649478 [0,1,0,0,0,0|0,0,2]=3 97 B12R1.6 CC(C)(O)C1CC=C(CC1)C=O Amb25054661 [0,1,0,0,0,0|0,0,2]=3 98 B12R1.6 CC(C)(O)[C@@H]1CC=C(CC1)C=O Amb25041122 [0,1,0,0,0,0|0,0,2]=3 99 B12R1.48 CC(=C)C1CC=C(C=O)C(O)C1 Amb25215897 [0,1,0,0,0,0|0,0,0]=1 100 B12R1.48 CC(=C)[C@@H]1CC=C(CO)C(=O)C1 Amb24432236 [0,1,0,0,0,0|0,0,3]=4 101 B12R1.113 CC(=C)C1CC=C(CC1)CCN Amb25137254 [0,1,0,0,0,0|1,0,1]=3 102 B12R1.113 CC(=C)C1CC=C(CC1)\C=N\O Amb22002675 [0,1,0,0,0,0|0,0,1]=2 103 B12R1.113 CC(=C)[C@@H]1CC=C(CC1)CC#N Amb25679593 [0,1,0,0,0,0|1,0,1]=3 104 B12R1.113 CC(=C)[C@@H]1CC=C(CC1)CCN Amb25090323 [0,1,0,0,0,0|1,0,1]=3 105 B12R1.113 CC(=C)[C@H]1CCC(=CC1)N=C=O Amb25159265 [0,1,0,0,0,0|0,0,1]=2 106 B12R1.113 CC(=O)C1CC=C(CC1)OCC Amb24582481 [0,1,0,0,0,0|2,0,1]=4 107 B12R1.113 CC(=O)C1CC=C(CC1)\C=C/C Amb24365235 [0,1,0,0,0,0|2,0,0]=3 108 B12R1.113 CC(=O)C1CC=C(CC1)\C=C\C Amb24518436 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.113 CC(C)=C1CC=C(CC1)C=NO Amb25349457 [0,1,0,0,0,0|0,0,3]=4 110 B12R1.113 CC(C)=C1CC=C(CC1)\C=N/O Amb25089964 [0,1,0,0,0,0|0,0,3]=4 111 B12R1.113 CC(C)C1CCC(CC1)=CC=O Amb25770109 [0,1,0,0,0,0|0,0,3]=4 112 B12R1.256 CC(=C)C1CCC(=CC1)C(N)=O Amb24495942 [0,1,0,0,0,0|0,0,0]=1 113 B12R1.256 CC(=C)C1CCC(=CC1)C(O)=O Amb22735114 [0,1,0,0,0,0|0,0,0]=1 114 B12R1.256 CC(=C)C1CCC(CC1)C(O)=O Amb24390282 [0,1,0,0,0,0|0,0,2]=3 115 B12R1.256 CC(=C)[C@@H]1CC[C@H](CC1)C(O)=O Amb24694011 [0,1,0,0,0,0|0,0,2]=3 116 B12R1.256 CC(=C)[C@H]1CCC(=CC1)C(N)=N Amb25719729 [0,1,0,0,0,0|1,0,0]=2 117 B12R1.256 CC(=C)[C@H]1CCC(=CC1)C(N)=O Amb25059255 [0,1,0,0,0,0|0,0,0]=1 118 B12R1.256 CC(=O)C1CC=C(CC1)C(C)C Amb25128893 [0,1,0,0,0,0|2,0,1]=4 119 B12R1.256 CC(=O)C1CCC(=CC1)C(O)=O Amb18646920 [0,1,0,0,0,0|1,0,0]=2 120 B12R1.256 CC(=O)C1CCC(CC1)C(C)=O Amb20620885 [0,1,0,0,0,0|1,0,2]=4 121 B12R1.256 CC(=O)C1CCN(CC1)C(=O)Cl Amb25669460 [0,1,0,0,0,0|2,0,1]=4 122 B12R1.256 CC(=O)C=1CCC(CC1)C(C)=C Amb24381398 [0,1,0,0,0,0|0,0,0]=1 123 B12R1.256 CC(=O)C=1CCC(CC1)C(O)=O Amb25365872 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.256 CC(=O)C=1CC[C@@H](CC1)C(C)=C Amb25338223 [0,1,0,0,0,0|0,0,0]=1 125 B12R1.256 CC(=O)[C@@H]1CC[C@H](CC1)C(C)=O Amb25718416 [0,1,0,0,0,0|1,0,2]=4 126 B12R1.256 CC(C)C1CCC(=CC1)C(=O)Cl Amb25689759 [0,1,0,0,0,0|0,0,2]=3 127 B12R1.256 CC(C)C1CCC(=CC1)C(O)=O Amb25667170 [0,1,0,0,0,0|0,0,2]=3 128 B12R1.256 CC(O)C1CCC(=CC1)C(O)=O Amb24364623 [0,1,0,0,0,0|1,0,1]=3 129 B12R1.256 NC(=O)C=1CCC(OC1)C(N)=O Amb25751274 [0,1,0,0,0,0|3,0,0]=4 130 B12R1.256 NC(=O)C=1CCC(OC1)C(O)=O Amb18647461 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.256 OC(=O)C1CCC(=CC1)C(=O)O Amb17594250 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.452 CC(=C)C1CCC(C=O)=CC1O Amb25205846 [0,1,0,0,0,0|0,0,0]=1 133 B12R1.452 CC(=C)[C@@H]1CCC(=CC1=O)C=O Amb24432307 [0,1,0,0,0,0|0,0,1]=2 134 B12R1.452 CC(=C)[C@@H]1CCC(CO)=CC1=O Amb25371788 [0,1,0,0,0,0|0,0,3]=4 135 B12R1.452 CC(=O)C1CCC(C=C)=CC1C Amb24594703 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.452 CC(=O)[C@@H]1CCC(C=C)=C[C@H]1C Amb24582492 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.452 CC(C)C1CCC(=CC1O)C=O Amb18647039 [0,1,0,0,0,0|0,0,2]=3 138 B12R1.452 CC(C)C1CCC(C=O)=CC1=O Amb25347390 [0,1,0,0,0,0|0,0,3]=4 139 B12R1.452 CC(C)[C@H]1CCC(=C[C@@H]1O)C=O Amb25327508 [0,1,0,0,0,0|0,0,2]=3 140 B12R1.529 CC(=C)[C@@]1(O)CC[C@H](CC1)C=O Amb24497011 [0,1,0,0,0,0|0,0,2]=3 141 B12R1.529 CC(C)[C@]1(O)CC=C(CC1)C=O Amb25794090 [0,1,0,0,0,0|0,0,2]=3 142 B10R0.77 CC(C)=CCC\C(\C=O)=C\C Amb24766817 [0,0,1,0,0,0|0,0,2]=3 143 B10R0.82 CC(=C)C(=O)C\C=C(/C)\C=C Amb24766647 [0,0,1,0,0,0|2,0,1]=4 144 B10R0.82 CC(=C)C(=O)C\C=C(\C)/C=C Amb24766641 [0,0,1,0,0,0|2,0,1]=4 145 B10R0.82 CC(C)C(O)C\C=C(/C)\C=O Amb24767013 [0,0,1,0,0,0|1,0,2]=4 146 B10R0.82 CC(C)C(O)C\C=C(\C)/C=O Amb24766683 [0,0,1,0,0,0|1,0,2]=4 147 B10R0.82 CC=C(C)\C=C\C(Cl)C(C)=C Amb24634633 [0,0,1,0,0,0|2,0,1]=4 148 B10R0.82 CCC(C)=CCC(C)C(C)=O Amb24767004 [0,0,1,0,0,0|2,0,1]=4 149 B10R0.82 C\C(\C=O)=C/CC(C)C(C)=C Amb25385824 [0,0,1,0,0,0|0,0,0]=1 150 B10R0.82 C\C(\CCC(Cl)C(C)=C)=C\C Amb25386353 [0,0,1,0,0,0|2,0,1]=4 151 B10R0.82 C\C(\CCC(O)C(C)=C)=C\C Amb25386113 [0,0,1,0,0,0|2,0,1]=4 152 B12R2.47 CC1(C)C2CC(C=O)=CCC12 Amb25041155 [0,0,0,1,0,0|0,0,2]=3 153 B12R2.47 CC1(C)[C@@H]2C=C(CC[C@H]12)C=O Amb25264969 [0,0,0,1,0,0|0,0,2]=3 154 B12R2.47 CC1(C)[C@H]2C=C(CC[C@@H]12)C=O Amb24614765 [0,0,0,1,0,0|0,0,2]=3 155 B12R2.47 CC1(C)[C@H]2CC(C=O)=CC[C@@H]12 Amb25247227 [0,0,0,1,0,0|0,0,2]=3 156 B12R2.377 CC1CC2CC1CC=C2C=O Amb25028189 [0,0,0,1,0,0|0,0,2]=3 157 B12R2.1313 O=C1CC(=O)C2CCC1CC2 Amb25767930 [0,0,0,1,0,0|1,0,2]=4 158 B12R2.1855 CC(C)C12CC=C(C=O)C1C2 Amb25723718 [0,0,0,1,0,0|0,0,2]=3 159 B12R2.1855 CC(C)C12CC=C(C=O)[C@H]1C2 Amb24603547 [0,0,0,1,0,0|0,0,2]=3 160 B12R2.1957 CC1(C)[C@@H]2C[C@H]1CC=C2C=C Amb25337671 [0,0,0,1,0,0|1,0,2]=4 161 B12R2.1957 CC1(C)[C@H]2C[C@@H]1CC=C2C=C Amb25327726 [0,0,0,1,0,0|1,0,2]=4 162 B10R1.31 CC(=C)C1CC(C=O)=CO1 Amb25730110 [0,0,0,0,1,0|1,0,0]=2 163 B10R1.31 CC(=C)c1ccc(C=O)[s]1 Amb24633417 [0,0,0,0,1,0|1,0,2]=4 164 B10R1.31 CC(=O)C=1CCN(C1)C=O Amb25100282 [0,0,0,0,1,0|2,0,1]=4 165 B10R1.31 CC(=O)N1CC(CC1)C=O Amb22227837 [0,0,0,0,1,0|2,0,1]=4 166 B10R1.31 CC(C)C1CN(CC1)C=O Amb24478405 [0,0,0,0,1,0|1,0,2]=4 167 B10R1.31 NC(=O)C1CN(CC1)C=O Amb25765242 [0,0,0,0,1,0|3,0,0]=4 168 B10R1.31 OC(=O)C1CN(CC1)C=O Amb18280900 [0,0,0,0,1,0|3,0,0]=4 169 B12R1.4 CC(=C)CN1CCC(CC1)C=O Amb18798927 [0,0,0,0,0,1|1,0,2]=4 170 B12R1.4 CC(=O)NC1CCN(CC1)C=O Amb24371458 [0,0,0,0,0,1|2,0,1]=4 171 B12R1.4 CC(=O)N[C@H]1CC[C@H](CC1)C=O Amb24692619 [0,0,0,0,0,1|1,0,2]=4 172 B9R0.1 CC(=C)CCC=C(C)C=C Amb22731856 [1,0,1,0,0,0|1,0,0]=3 173 B9R0.1 CC(=C)CCCC(=O)C=C Amb25146598 [1,0,1,0,0,0|0,0,1]=3 174 B9R0.1 CC(=C)CCCC(=O)CC Amb25832230 [1,0,1,0,0,0|0,0,1]=3 175 B9R0.1 CC(=C)CCNC(=O)CC Amb24544729 [1,0,1,0,0,0|1,0,0]=3 176 B9R0.1 CC(=C)CCNC(=O)CN Amb24578382 [1,0,1,0,0,0|2,0,0]=4 177 B9R0.1 CC(=C)CCNC(=O)NC Amb25321294 [1,0,1,0,0,0|2,0,0]=4 178 B9R0.1 CC(=C)CCOC(=O)CBr Amb24477369 [1,0,1,0,0,0|2,0,0]=4 179 B9R0.1 CC(=C)CNCC(=O)OC Amb25139895 [1,0,1,0,0,0|2,0,0]=4 180 B9R0.1 CC(=C)C\C=C\C(=O)OC Amb24657689 [1,0,1,0,0,0|1,0,1]=4 181 B9R0.1 CC(=O)CCCC(=C)C=C Amb25755744 [1,0,1,0,0,0|1,0,1]=4 182 B9R0.1 CC(=O)CCCC(=O)CC Amb24093547 [1,0,1,0,0,0|1,0,1]=4 183 B9R0.1 CC(=O)CCCC(=O)NC Amb25790088 [1,0,1,0,0,0|2,0,0]=4 184 B9R0.1 CC(=O)CCCN(C)C=O Amb24631603 [1,0,1,0,0,0|2,0,0]=4 185 B9R0.1 CC(=O)CCOC(=O)CC Amb25318811 [1,0,1,0,0,0|2,0,0]=4 186 B9R0.1 CC(=O)CC\C=C(/C)\C=C Amb24646563 [1,0,1,0,0,0|2,0,0]=4 187 B9R0.1 CC(=O)CC\C=C(/C)\C=O Amb18124577 [1,0,1,0,0,0|1,0,0]=3 188 B9R0.1 CC(=O)CC\C=C(\C)/C=C Amb24504939 [1,0,1,0,0,0|2,0,0]=4 189 B9R0.1 CC(=O)CC\C=C(\Cl)/C=O Amb25742942 [1,0,1,0,0,0|2,0,0]=4 190 B9R0.1 CC(=O)OCCC(=C)C=O Amb18643822 [1,0,1,0,0,0|2,0,0]=4 191 B9R0.1 CC(=O)OC\C=C(\C)/C=O Amb25828548 [1,0,1,0,0,0|2,0,0]=4 192 B9R0.1 CC(=O)SC\C=C(/C)\C=O Amb24742766 [1,0,1,0,0,0|2,0,0]=4 193 B9R0.1 CC(C)=CCC=C(C)C=O Amb25327629 [1,0,1,0,0,0|0,0,2]=4 194 B9R0.1 CC(C)=CC\C=C(/C)\C=O Amb24505142 [1,0,1,0,0,0|0,0,2]=4 195 B9R0.1 CC(CCCC(C)=C)C=O Amb25712471 [1,0,1,0,0,0|0,0,1]=3 196 B9R0.1 CC(CCCC(C)=O)C=O Amb24453385 [1,0,1,0,0,0|1,0,1]=4 197 B9R0.1 CC(CNCC(C)=C)=CCl Amb24684445 [1,0,1,0,0,0|2,0,0]=4 198 B9R0.1 CC(COCC(C)=C)C=O Amb24759017 [1,0,1,0,0,0|1,0,1]=4 199 B9R0.1 CC(CSCC(C)=C)=CCl Amb24624565 [1,0,1,0,0,0|2,0,0]=4 200 B9R0.1 CCC(=O)NCCC(=O)C Amb17102869 [1,0,1,0,0,0|2,0,0]=4 201 B9R0.1 CC\C(\C)=C/CCC(C)=O Amb25138109 [1,0,1,0,0,0|1,0,1]=4 202 B9R0.1 COC(=O)CCCC(=C)Br Amb24717516 [1,0,1,0,0,0|2,0,0]=4 203 B9R0.1 COC(=O)CCCC(C)=O Amb17846860 [1,0,1,0,0,0|2,0,0]=4 204 B9R0.1 CO[13C](=O)CCC[13C](=O)[13CH3] Amb17617715 [1,0,1,0,0,0|2,0,0]=4 205 B9R0.1 C[C@@H](COCC(C)=C)C=O Amb24505120 [1,0,1,0,0,0|1,0,1]=4 206 B9R0.1 C[C@H](CCCC(C)=O)C=O Amb25119261 [1,0,1,0,0,0|1,0,1]=4 207 B9R0.1 C\C(\CBr)=C/CCC(C)=C Amb25351417 [1,0,1,0,0,0|1,0,1]=4 208 B9R0.1 C\C(\CO)=C\CCC(C)=C Amb24735174 [1,0,1,0,0,0|0,0,2]=4 209 B9R0.1 O=C\C(=C\COC(=O)C)\C Amb17593584 [1,0,1,0,0,0|2,0,0]=4 210 B9R0.50 CCCCCC(C=O)=CCl Amb24635030 [1,0,1,0,0,0|1,0,1]=4 211 B9R0.50 CCCCC\C(=C\N)\C=O Amb25117739 [1,0,1,0,0,0|1,0,1]=4 212 B9R0.50 CCCCC\C(=C\O)\C=O Amb24434885 [1,0,1,0,0,0|1,0,1]=4 213 B9R0.50 CCCC\C=C(/C=O)\SC Amb25324111 [1,0,1,0,0,0|1,0,1]=4 214 B9R0.50 CC\C(\C=O)=C/CCCC Amb24117957 [1,0,1,0,0,0|0,0,1]=3 215 B9R0.50 C\C=C(/CCCCC)\C=O Amb18643630 [1,0,1,0,0,0|0,0,1]=3 216 B9R0.50 C\C=C(\C=O)/SCCCC Amb18645105 [1,0,1,0,0,0|1,0,1]=4 217 B9R0.50 C\C=C(\C\C=C\C=C)/C=O Amb24647149 [1,0,1,0,0,0|0,0,2]=4 218 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [1,0,1,0,0,0|2,0,0]=4 219 B9R0.7 CC(=O)C(C)CNC(C)=O Amb24072033 [1,0,1,0,0,0|2,0,0]=4 220 B9R0.7 CC(=O)CCC(C)C(C)=C Amb25702190 [1,0,1,0,0,0|0,0,1]=3 221 B9R0.7 CC(=O)CCC(C)C(C)=O Amb25146789 [1,0,1,0,0,0|1,0,1]=4 222 B9R0.7 CC(=O)CCC(Cl)C(C)=C Amb25242489 [1,0,1,0,0,0|1,0,1]=4 223 B9R0.7 CC(=O)CC[C@@H](C)C(C)=C Amb24646916 [1,0,1,0,0,0|0,0,1]=3 224 B9R0.7 CC(=O)CC[C@H](C)C(C)=C Amb24583145 [1,0,1,0,0,0|0,0,1]=3 225 B9R0.7 CC(=O)CC[C@H](C)C(C)=O Amb25692099 [1,0,1,0,0,0|1,0,1]=4 226 B9R0.7 CC(=O)NCC(C)C(C)=C Amb24359912 [1,0,1,0,0,0|1,0,0]=3 227 B9R0.7 CC(=O)OCC(Br)C(C)=C Amb25733514 [1,0,1,0,0,0|2,0,0]=4 228 B9R0.7 CC(=O)[C@@H](C)CCC(O)=O Amb25333003 [1,0,1,0,0,0|2,0,0]=4 229 B9R0.7 CC(=O)[C@H](C)CCC(O)=O Amb24671283 [1,0,1,0,0,0|2,0,0]=4 230 B9R0.7 CC(=O)[C@H](C)COC(C)=O Amb24457434 [1,0,1,0,0,0|2,0,0]=4 231 B9R0.7 CC(=O)\C=C\C(C)C(C)=O Amb25112484 [1,0,1,0,0,0|1,0,1]=4 232 B9R0.7 CC(C)=CCC(C)C(C)=O Amb24727108 [1,0,1,0,0,0|1,0,1]=4 233 B9R0.7 CC(C)=CCC(O)C(C)=C Amb25115702 [1,0,1,0,0,0|1,0,1]=4 234 B9R0.7 CC(C)=CC[C@@H](O)C(C)=C Amb25079131 [1,0,1,0,0,0|1,0,1]=4 235 B9R0.7 CC(C)=CC[C@H](O)C(C)=C Amb24555404 [1,0,1,0,0,0|1,0,1]=4 236 B9R0.24 CCC(C)C\C=C(/C)\C=O Amb24646940 [1,0,1,0,0,0|0,0,1]=3 237 B9R0.24 CC[C@H](C)CCC(=C)C=O Amb25075582 [1,0,1,0,0,0|0,0,1]=3 238 B9R0.47 CC(CCCC=O)C(C)=O Amb24478226 [1,0,1,0,0,0|1,0,1]=4 239 B9R0.47 CC(C\C=C\CO)C(C)=C Amb25137985 [1,0,1,0,0,0|0,0,2]=4 240 B9R0.47 C\C=C/CCC(C)C(C)=O Amb24570857 [1,0,1,0,0,0|2,0,0]=4 241 B9R0.13 CC(=C)C(CCC=C)C=O Amb25275575 [1,0,1,0,0,0|1,0,1]=4 242 B9R0.13 CC(=C)C(CO)CCC=C Amb24397066 [1,0,1,0,0,0|1,0,0]=3 243 B9R1.1 C=CN1CCC(=O)CC1 Amb24384226 [2,0,0,0,0,0|1,0,1]=4 244 B9R1.1 CC1CC=C(CBr)CC1 Amb24480141 [2,0,0,0,0,0|1,0,1]=4 245 B9R1.1 CC1CC=C(CC1)C#N Amb18642016 [2,0,0,0,0,0|1,0,1]=4 246 B9R1.1 CC1CC=C(CS1)C=O Amb18643966 [2,0,0,0,0,0|1,0,0]=3 247 B9R1.1 CC1CCC(CC1)=CBr Amb22227652 [2,0,0,0,0,0|1,0,1]=4 248 B9R1.1 CC1CCC(CC1)C=O Amb18642467 [2,0,0,0,0,0|0,0,2]=4 249 B9R1.1 CC1CCN(CC1)C=O Amb22730628 [2,0,0,0,0,0|1,0,1]=4 250 B9R1.1 CC=1CC[C@H](CC1)C=O Amb25811412 [2,0,0,0,0,0|1,0,1]=4 251 B9R1.1 CCC1CNC(=O)CC1 Amb25727228 [2,0,0,0,0,0|1,0,1]=4 252 B9R1.1 CC[C@@H]1CCC(=O)C=C1 Amb24736307 [2,0,0,0,0,0|0,0,2]=4 253 B9R1.1 CN1CC=C(CC1)C=C Amb25233540 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.1 CN1CC=C(CC1)C=O Amb24424850 [2,0,0,0,0,0|1,0,0]=3 255 B9R1.1 CNC1CCC(=O)CC1 Amb10602371 [2,0,0,0,0,0|1,0,1]=4 256 B9R1.1 CNC1CCC(=O)CC1 Amb22170247 [2,0,0,0,0,0|1,0,1]=4 257 B9R1.1 COC1CC=C(C)CC1 Amb25279365 [2,0,0,0,0,0|1,0,1]=4 258 B9R1.1 COC1CCC(=C)CC1 Amb24481794 [2,0,0,0,0,0|1,0,1]=4 259 B9R1.1 COC1CCC(=O)CC1 Amb2385260 [2,0,0,0,0,0|1,0,1]=4 260 B9R1.1 CSC1CCC(=O)CC1 Amb25707895 [2,0,0,0,0,0|1,0,1]=4 261 B9R1.1 C[C@@H]1CC[C@H](CC1)C=O Amb25075627 [2,0,0,0,0,0|0,0,2]=4 262 B9R1.1 O=C1CCC(=CC1)C=O Amb18642167 [2,0,0,0,0,0|1,0,1]=4 263 B9R1.1 O=CC1CC=C(Cl)CC1 Amb18124712 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.6 CC(=C)C1CCCCC1 Amb24478631 [2,0,0,0,0,0|0,0,2]=4 265 B9R1.6 CC(=C)C1CCNCC1 Amb23536711 [2,0,0,0,0,0|1,0,1]=4 266 B9R1.6 CC(=C)C1CNCCC1 Amb23536695 [2,0,0,0,0,0|1,0,1]=4 267 B9R1.6 CC(=O)C1CCC=CN1 Amb25094747 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.6 CC(=O)C1CCC=CO1 Amb24650635 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.6 CC(=O)C1CN=CCC1 Amb25073951 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.6 CC(=O)N1CC=CCC1 Amb25031981 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.6 CC(=O)[C@H]1CCC=CO1 Amb25349063 [2,0,0,0,0,0|2,0,0]=4 272 B9R1.6 CC(Cl)C1CCC=CC1 Amb24426277 [2,0,0,0,0,0|1,0,1]=4 273 B9R1.6 ClC(=O)C1CCC=CC1 Amb10844648 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.6 NC(=N)C1CC=CCC1 Amb25143265 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.6 NC(=O)C1CCC=CC1 Amb16231370 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.6 NC(=O)[C@@H]1CC=CCC1 Amb24182044 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.6 OC(=O)[C@@H]1CC=CCC1 Amb19131346 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.6 OC(=O)[C@@H]1CCC=CC1 Amb17611453 [2,0,0,0,0,0|2,0,0]=4 279 B11R0.150 CC(CCC(=C)C(O)=O)C(O)=O Amb24065778 [0,1,1,0,0,0|2,0,0]=4 280 B11R1.83 CCOC1CC=C(CC1)C=O Amb24484873 [1,1,0,0,0,0|0,0,1]=3 281 B11R1.83 COCC1CC=C(CC1)C=O Amb25783807 [1,1,0,0,0,0|0,0,1]=3 282 B11R1.83 C\C=C/[C@@H]1CC[C@@H](CC1)C=O Amb24633313 [1,1,0,0,0,0|0,0,2]=4 283 B11R1.83 C\C=C/[C@@H]1CC[C@H](CC1)C=O Amb25093652 [1,1,0,0,0,0|0,0,2]=4 284 B11R1.279 C=CC=1CO[C@H](C=C)[C@H](O)C1 Amb24576946 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.336 CC1(CC=C(CC1)CO)C=C Amb25149639 [1,1,0,0,0,0|0,0,2]=4 286 B11R1.21 CC(=C)C1CC(=C)C(O)CC1 Amb25097757 [1,1,0,0,0,0|0,0,2]=4 287 B11R1.21 CC(=C)C1CC(C)C(=O)C=C1 Amb25759606 [1,1,0,0,0,0|0,0,1]=3 288 B11R1.21 CC(=C)C1CC=C(C(=O)C1)C Amb1152977 [1,1,0,0,0,0|0,0,2]=4 289 B11R1.21 CC(=C)C1CC=C(C(C1)N)C Amb2226988 [1,1,0,0,0,0|0,0,1]=3 290 B11R1.21 CC(=C)C1CCC(=C)C(=O)C1 Amb25143355 [1,1,0,0,0,0|0,0,0]=2 291 B11R1.21 CC(=C)C1CCC(=C)C(N)C1 Amb25062064 [1,1,0,0,0,0|0,0,1]=3 292 B11R1.21 CC(=C)C1CCC(=C)[C@@H](O)C1 Amb25832704 [1,1,0,0,0,0|0,0,1]=3 293 B11R1.21 CC(=C)C1CCC(=O)C(O)C1 Amb25130598 [1,1,0,0,0,0|0,0,1]=3 294 B11R1.21 CC(=C)[C@@H]1CC(=O)[C@H](C)CC1 Amb25179493 [1,1,0,0,0,0|0,0,2]=4 295 B11R1.21 CC(=C)[C@@H]1CCC(=C)C(=O)C1 Amb25151452 [1,1,0,0,0,0|0,0,0]=2 296 B11R1.21 CC(=C)[C@@H]1CCC(=C)C(C1)O Amb17617403 [1,1,0,0,0,0|0,0,1]=3 297 B11R1.21 CC(=C)[C@H]1CC(=O)[C@@H](C)CC1 Amb25322223 [1,1,0,0,0,0|0,0,2]=4 298 B11R1.21 CC(=C)[C@H]1CC=C(C(C1)N)C Amb10842059 [1,1,0,0,0,0|0,0,1]=3 299 B11R1.21 CC(=C)[C@H]1CCC(=C)C(=O)C1 Amb25151537 [1,1,0,0,0,0|0,0,0]=2 300 B11R1.21 CC(=C)[C@H]1CCC(=C)C(Cl)C1 Amb25060773 [1,1,0,0,0,0|0,0,1]=3 301 B11R1.21 CC(=C)[C@H]1C[C@@H](C)C(=O)CC1 Amb24721720 [1,1,0,0,0,0|0,0,1]=3 302 B11R1.21 CC(=O)C1CC(=C)C(=C)CC1 Amb24363799 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.21 CC(=O)C1COC(=O)C(C)C1 Amb24520673 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.21 CC(C)C1CCC(=O)C(=O)C1 Amb25151440 [1,1,0,0,0,0|0,0,2]=4 305 B11R1.21 CC1=CCC(CC1Br)C(C)=C Amb24567061 [1,1,0,0,0,0|0,0,1]=3 306 B11R1.21 CC1=CCC(CC1Cl)C(C)=C Amb25362191 [1,1,0,0,0,0|0,0,1]=3 307 B11R1.21 CC1=CCC(C[C@H]1O)C(C)=C Amb24749691 [1,1,0,0,0,0|0,0,1]=3 308 B11R1.21 CC1=CC[C@@H](C[C@@H]1Br)C(C)=C Amb24519668 [1,1,0,0,0,0|0,0,1]=3 309 B11R1.21 CC1=CC[C@@H](C[C@@H]1N)C(C)=C Amb24519134 [1,1,0,0,0,0|0,0,1]=3 310 B11R1.21 CC1=CC[C@@H](C[C@H]1N)C(C)=C Amb25223125 [1,1,0,0,0,0|0,0,1]=3 311 B11R1.21 CC1=CC[C@H](CC1Br)C(C)=C Amb24484923 [1,1,0,0,0,0|0,0,1]=3 312 B11R1.21 CC1=CC[C@H](C[C@@H]1O)C(C)=C Amb24519549 [1,1,0,0,0,0|0,0,1]=3 313 B11R1.21 CC1=CC[C@H](C[C@H]1Cl)C(C)=C Amb24519207 [1,1,0,0,0,0|0,0,1]=3 314 B11R1.21 CC=1CC(CCC1C)C(C)=C Amb25258161 [1,1,0,0,0,0|0,0,1]=3 315 B11R1.21 CC=1CCC(CC1O)C(C)=C Amb25027858 [1,1,0,0,0,0|0,0,1]=3 316 B11R1.21 CC=1C[C@@H](CCC1C)C(C)=O Amb25142684 [1,1,0,0,0,0|1,0,1]=4 317 B11R1.22 C=C1CCC(CC1)C(=C)CO Amb24733840 [1,1,0,0,0,0|0,0,1]=3 318 B11R1.22 CC(=CO)C1CC=C(C)CC1 Amb24437682 [1,1,0,0,0,0|0,0,1]=3 319 B11R1.22 CC(C=O)C1CC=C(C)CC1 Amb18125476 [1,1,0,0,0,0|0,0,2]=4 320 B11R1.22 CC(C=O)[C@@H]1CC=C(C)CC1 Amb24484756 [1,1,0,0,0,0|0,0,2]=4 321 B11R1.22 CC=1CCC(CC1)C(=C)C=O Amb18125173 [1,1,0,0,0,0|0,0,2]=4 322 B11R1.22 CC=1CCC(CC1)C(=C)CO Amb25149575 [1,1,0,0,0,0|0,0,1]=3 323 B11R1.22 CC=1CCC(CC1)C(=O)CC Amb25807609 [1,1,0,0,0,0|1,0,1]=4 324 B11R1.22 CC=1CCC(CC1)C(=O)OC Amb22493627 [1,1,0,0,0,0|1,0,1]=4 325 B11R1.22 CC=1CC[C@@H](CC1)C(=C)C=O Amb25712894 [1,1,0,0,0,0|0,0,2]=4 326 B11R1.22 CC=1CC[C@@H](CC1)C(=O)CC Amb24662367 [1,1,0,0,0,0|1,0,1]=4 327 B11R1.22 CC=1CC[C@H](CC1)C(=C)CO Amb25341489 [1,1,0,0,0,0|0,0,1]=3 328 B11R1.22 CC=1CC[C@H](CC1)C(=O)OC Amb25684213 [1,1,0,0,0,0|1,0,1]=4 329 B11R1.22 CCC(=O)C1CCC(=O)CC1 Amb24486227 [1,1,0,0,0,0|1,0,1]=4 330 B11R1.22 CN(C=O)C1CCC(=O)CC1 Amb25719790 [1,1,0,0,0,0|1,0,1]=4 331 B11R1.22 CNC(=O)C1CNC(=O)CC1 Amb25330197 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.22 COC(=O)C1CCC(Br)=CC1 Amb24749863 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.22 COC(=O)C1CCC(Cl)=CC1 Amb24079688 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.22 COC(=O)C1CNC(=O)CC1 Amb19957331 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.166 CC(=C)C1CCC(=C)CC1O Amb25721939 [1,1,0,0,0,0|0,0,1]=3 336 B11R1.166 CC(=C)C1CCC(=O)OC1O Amb25190144 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.166 CC(=C)[C@@H]1CCC(=O)C[C@@H]1C Amb25328838 [1,1,0,0,0,0|0,0,1]=3 338 B11R1.166 CC(=C)[C@H]1CCC(=C)C[C@@H]1O Amb25271925 [1,1,0,0,0,0|0,0,1]=3 339 B11R1.166 CC(=O)C1CCC(=O)CC1C Amb24484659 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.166 CC(=O)[C@@H]1CCC(=O)C[C@@H]1C Amb24571662 [1,1,0,0,0,0|1,0,1]=4 341 B11R1.166 CC(=O)[C@@H]1CCC(=O)C[C@H]1C Amb25773216 [1,1,0,0,0,0|1,0,1]=4 342 B11R1.166 CC1=CC(=O)CCC1C(C)=C Amb24570876 [1,1,0,0,0,0|0,0,1]=3 343 B11R1.166 CC1=CC(=O)CC[C@@H]1C(C)=C Amb24486183 [1,1,0,0,0,0|0,0,1]=3 344 B11R1.166 CC1=CC(C(CC1)C(=C)C)O Amb17593799 [1,1,0,0,0,0|0,0,1]=3 345 B11R1.166 CC1C=C(C)CCC1C(C)=O Amb25100211 [1,1,0,0,0,0|1,0,1]=4 346 B11R1.166 CC=1CC(=O)C(CC1)C(C)=C Amb24625828 [1,1,0,0,0,0|0,0,2]=4 347 B11R1.166 CC=1CCC([C@H](O)C1)C(C)=C Amb24353129 [1,1,0,0,0,0|0,0,1]=3 348 B11R1.166 CC=1CC[C@@H]([C@H](O)C1)C(C)=C Amb24757559 [1,1,0,0,0,0|0,0,1]=3 349 B11R1.166 CC=1CC[C@H]([C@@H](O)C1)C(C)=C Amb24588242 [1,1,0,0,0,0|0,0,1]=3 350 B11R1.166 CC=1C[C@@H](O)[C@@H](CC1)C(C)=C Amb24741080 [1,1,0,0,0,0|0,0,1]=3 351 B11R1.220 CC(=O)C1(C)CCC(=O)CC1 Amb22497449 [1,1,0,0,0,0|1,0,1]=4 352 B11R1.220 CC(=O)[C@]1(C)CCC(=O)C=C1 Amb25322899 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.220 CC=1CCC(C)(CC1)C(C)=O Amb24388647 [1,1,0,0,0,0|1,0,1]=4 354 B11R1.220 CC=1CCC(N)(CC1)C(C)=C Amb25096389 [1,1,0,0,0,0|0,0,1]=3 355 B11R1.44 COC(=O)C1CC(=CN1)C=O Amb25065170 [0,1,0,0,1,0|2,0,0]=4 356 B11R1.44 COC(=O)C1CC(CC1)C=O Amb18644789 [0,1,0,0,1,0|1,0,1]=4 357 B11R1.44 COC(=O)C1CN(CC1)C=O Amb24689641 [0,1,0,0,1,0|2,0,0]=4 358 B11R1.44 COC(=O)N1CCC(=C1)C=O Amb18125828 [0,1,0,0,1,0|2,0,0]=4 359 B11R1.44 COC(=O)[C@H]1C[C@@H](CC1)C=O Amb25335264 [0,1,0,0,1,0|1,0,1]=4 360 B11R1.175 CC(=C)C1CC(=CO1)C(=O)Cl Amb25831190 [0,1,0,0,1,0|1,0,0]=3 361 B11R1.175 CC(=C)C1CC(=CO1)C(O)=O Amb24078768 [0,1,0,0,1,0|1,0,0]=3 362 B11R1.175 CC(=C)C1CNC(C1)C(O)=O Amb25109928 [0,1,0,0,1,0|1,0,1]=4 363 B11R1.175 CC(=O)C1CCC(C1)C(O)=O Amb24373216 [0,1,0,0,1,0|1,0,1]=4 364 B11R1.175 CC(=O)C=1CC(CC1)C(C)=C Amb24484669 [0,1,0,0,1,0|0,0,0]=2 365 B11R1.175 CC(=O)C=1CC(CC1)C(C)C Amb24485808 [0,1,0,0,1,0|0,0,2]=4 366 B11R1.175 CC(=O)C=1C[C@@H](CC1)C(C)=C Amb25074473 [0,1,0,0,1,0|0,0,0]=2 367 B11R1.175 CC(C)=C1CC(=CC1)C(C)=O Amb24357133 [0,1,0,0,1,0|0,0,2]=4 368 B11R1.175 CC(C)=C1CCC(=C1)C(C)=O Amb25094349 [0,1,0,0,1,0|0,0,2]=4 369 B11R1.175 CC(C)C1CCC(=C1)C(O)=O Amb25760778 [0,1,0,0,1,0|0,0,2]=4 370 B11R1.175 CC(C)[C@@H]1CCC(=C1)C(O)=O Amb24680952 [0,1,0,0,1,0|0,0,2]=4 371 B11R1.175 OC(=O)C=1CC(CC1)C(O)=O Amb24365900 [0,1,0,0,1,0|2,0,0]=4 372 B11R1.417 CC(=C)C1CC(C)(CC1)C=O Amb18125482 [0,1,0,0,1,0|0,0,1]=3 373 B11R1.417 CC(=C)[C@H]1CC(C)(CC1)C=O Amb24424913 [0,1,0,0,1,0|0,0,1]=3 374 B11R1.473 CC(=C)C1CCC(C=O)C1=O Amb25195932 [0,1,0,0,1,0|0,0,1]=3 375 B11R1.473 CC=1C(CCC1C=O)C(C)=C Amb24434929 [0,1,0,0,1,0|0,0,0]=2 376 B13R1.653 CC(=O)O[C@H]1COC(C=O)=C[C@@H]1O Amb25195951 [0,1,0,0,0,1|2,0,0]=4 377 B13R1.8652 OC(=O)C=1CCC(CCC1)C(O)=O Amb25039414 [0,1,0,0,0,1|2,0,0]=4 378 B13R1.139 COC(=O)C1CCC(CC1)=CC=O Amb24490256 [0,2,0,0,0,0|1,0,1]=4 379 B13R1.187 CC(O)(CO)[C@@H]1CC=C(CC1)C=O Amb24434593 [0,2,0,0,0,0|0,0,2]=4 380 B13R1.537 CC(=C)C1CCC(=CC1)C(O)C#N Amb24735046 [0,2,0,0,0,0|0,0,2]=4 381 B13R1.537 CC(=C)C1CCC(=CC1)C(O)CC Amb24688203 [0,2,0,0,0,0|0,0,2]=4 382 B13R1.537 CC(=C)C1CSC(=CN1)C(=O)OC Amb25035468 [0,2,0,0,0,0|2,0,0]=4 383 B13R1.537 CC(=C)[C@@H]1CSC(=CN1)C(=O)OC Amb24382631 [0,2,0,0,0,0|2,0,0]=4 384 B13R1.537 CC(=C)[C@H]1CCC(=CC1)C(N)=NO Amb25300303 [0,2,0,0,0,0|0,0,1]=3 385 B13R1.537 CC(=C)[C@H]1CCC(=CC1)C(O)C#C Amb25687906 [0,2,0,0,0,0|0,0,2]=4 386 B13R1.537 CC(=C)[C@H]1CCC(=CC1)[C@H](O)CC Amb24632561 [0,2,0,0,0,0|0,0,2]=4 387 B13R1.537 CC(=O)C=1CCN(CC1)C(=O)OC Amb24060035 [0,2,0,0,0,0|2,0,0]=4 388 B13R1.537 CC(C)C1CCC(=CC1)C(=O)OC Amb25114960 [0,2,0,0,0,0|0,0,2]=4 389 B13R1.537 COC(=O)N1CC=C(CC1)C(N)=O Amb24060032 [0,2,0,0,0,0|2,0,0]=4 390 B13R1.338 CC(=O)C=1CCC(CC1)C(C)(C)C Amb25300478 [0,2,0,0,0,0|0,0,2]=4 391 B13R1.338 CC(C)(C)C1CCC(=CC1)C(N)=O Amb24424349 [0,2,0,0,0,0|0,0,2]=4 392 B13R1.338 CC(C)(O)[C@@H]1CC=C(CC1)C(O)=O Amb25846416 [0,2,0,0,0,0|0,0,2]=4 393 B13R1.120 CC(C)=C1CCC(CC1=O)C(C)=C Amb25714395 [0,2,0,0,0,0|1,0,0]=3 394 B13R1.120 CC(C)=C1CC[C@@H](CC1=O)C(C)=C Amb25834477 [0,2,0,0,0,0|1,0,0]=3 395 B13R1.144 CC(=C)[C@H]1CC=C(CCO)[C@H](O)C1 Amb24618844 [0,2,0,0,0,0|0,0,2]=4 396 B13R1.3091 CC(=C)[C@@H]1C[C@H](OC)[C@@H](CC1)C=O Amb24669088 [0,2,0,0,0,0|0,0,2]=4 397 B13R1.3091 CC(=C)[C@@H]1C[C@H](OC)[C@H](CC1)C=O Amb24539320 [0,2,0,0,0,0|0,0,2]=4 398 B13R1.74 CC(=C)[C@H]1CC=C(CC1)CN=[N+]=[N-] Amb24440908 [0,2,0,0,0,0|1,0,1]=4 399 B13R1.8764 CC(=C)C1(O)CCC(CC1)C(O)=O Amb25249146 [0,2,0,0,0,0|0,0,2]=4 400 B13R1.8764 CC1(CC=C(CC1)C(O)=O)C(O)=O Amb18129367 [0,2,0,0,0,0|2,0,0]=4 401 B11R1.11 C\C=C(/C=O)\C1CC(=O)CC1 Amb24529996 [0,0,1,1,0,0|1,0,0]=3 402 B11R1.43 CC(=C)C[n]1cc(CC)cc1 Amb24407206 [0,0,1,1,0,0|2,0,0]=4 403 B11R1.43 CC(=O)CC1CC(C=O)=CC1 Amb24390201 [0,0,1,1,0,0|1,0,0]=3 404 B11R1.43 CC(=O)OC1CCC(C=O)=C1 Amb18125682 [0,0,1,1,0,0|2,0,0]=4 405 B11R1.247 C=C1CCCC(CCC1)C=O Amb25686004 [0,0,1,1,0,0|0,0,2]=4 406 B11R1.945 CC1(C)CCC\C(=C/C)\C1=O Amb25128346 [0,0,1,1,0,0|0,0,2]=4 407 B11R1.945 CC1(C)CCC\C(=C\C)\C1=O Amb24628930 [0,0,1,1,0,0|0,0,2]=4 408 B11R1.945 CCC1=CCCC(C)(C)C1=O Amb25128231 [0,0,1,1,0,0|0,0,2]=4 409 B11R1.281 C[C@@H]1CCC(C=O)=CC1(C)C Amb25821710 [0,0,1,1,0,0|0,0,2]=4 410 B11R1.511 CC1(C)C(C)CCC(=C)C1=O Amb25682823 [0,0,1,1,0,0|0,0,2]=4 411 B11R1.1270 CC1=CCC(C)(C1=O)C(=O)Cl Amb25760656 [0,0,1,1,0,0|2,0,0]=4 412 B11R1.180 C=C\C=C\CC1CCCC1=O Amb24633083 [0,0,1,1,0,0|2,0,0]=4 413 B11R1.180 O=CCCCC1CC=CC1=O Amb25384543 [0,0,1,1,0,0|1,0,1]=4 414 B11R1.1064 CCC1(CC=CC1=O)C(C)C Amb25050193 [0,0,1,1,0,0|0,0,2]=4 415 B11R2.64 O=C1C=CC2CCC1C=C2 Amb25319416 [1,0,0,1,0,0|0,0,2]=4 416 B11R2.64 O=C1C=CC2CCC1CC2 Amb25145554 [1,0,0,1,0,0|0,0,2]=4 417 B11R2.64 O=C1C=C[C@@H]2CC[C@H]1C=C2 Amb24613922 [1,0,0,1,0,0|0,0,2]=4 418 B11R2.266 O=CC1=CCC2CCC1S2 Amb18644675 [1,0,0,1,0,0|1,0,1]=4 419 B11R2.266 O=CC1=COC2CC1CC2 Amb18643242 [1,0,0,1,0,0|1,0,1]=4 420 B11R2.2086 O=CC12CCC(CC1)C=C2 Amb18643088 [1,0,0,1,0,0|0,0,2]=4 421 B11R2.363 CC=1CCC2C(CC2=O)C1 Amb24646576 [1,0,0,1,0,0|1,0,1]=4 422 B11R2.363 CC=1CC[C@@H]2[C@@H](CC2=O)C1 Amb25231308 [1,0,0,1,0,0|1,0,1]=4 423 B11R2.746 CC(=C)C12CCC(=O)C1C2 Amb25759570 [1,0,0,1,0,0|0,0,1]=3 424 B11R2.162 CC1=CC2CC1CC2C=O Amb24594198 [0,0,0,1,1,0|0,0,1]=3 425 B11R2.162 CC1=C[C@H]2C[C@H]1C[C@@H]2C=O Amb25179882 [0,0,0,1,1,0|0,0,1]=3 426 B11R2.201 O=C1C=C(Cl)C2CC1CC2 Amb24619447 [0,0,0,1,1,0|1,0,1]=4 427 B11R2.201 O=C1CC(=O)[C@@H]2C[C@H]1CC2 Amb24708580 [0,0,0,1,1,0|1,0,1]=4 428 B11R2.201 OC1=CC(=O)C2CC1CC2 Amb25707477 [0,0,0,1,1,0|1,0,1]=4 429 B13R2.5394 CC=1CC2CCC(C=C2)C(=O)C1 Amb24513504 [0,0,0,1,0,1|0,0,2]=4 430 B13R2.17256 CC(=C)[C@@H]1CC2OC2(CC1)C=O Amb24452206 [0,0,0,1,0,1|0,0,2]=4 431 B13R2.17256 CC(=C)[C@@H]1C[C@@H]2C[C@@]2(CC1)C=O Amb25366239 [0,0,0,1,0,1|0,0,2]=4 432 B13R2.17256 CC(=C)[C@@H]1C[C@H]2C[C@]2(CC1)C=O Amb24512910 [0,0,0,1,0,1|0,0,2]=4 433 B13R2.186 CC1(CO1)[C@@H]2CC=C(CC2)C=O Amb24375447 [0,1,0,1,0,0|0,0,2]=4 434 B13R2.186 C[C@@]1(CO1)[C@@H]2CC=C(CC2)C=O Amb24745814 [0,1,0,1,0,0|0,0,2]=4 435 B13R2.186 C[C@]1(CO1)[C@@H]2CC=C(CC2)C=O Amb24540352 [0,1,0,1,0,0|0,0,2]=4 436 B13R2.2083 COC1=CC(=O)C2CCC1C=C2 Amb24497189 [0,1,0,1,0,0|0,0,2]=4 437 B13R2.2130 CC1=CCC2CC(C=O)=CCC12 Amb24584526 [0,1,0,1,0,0|0,0,0]=2 438 B13R2.2109 CC1(C)OC2CC1CC=C2C=O Amb24545613 [0,1,0,1,0,0|0,0,2]=4 439 B13R2.430 CC(=O)C1Cc2ccoc2CC1 Amb25374048 [0,1,0,1,0,0|2,0,0]=4 440 B13R2.430 CC(=O)C1Cc2occc2CC1 Amb25831135 [0,1,0,1,0,0|1,0,1]=4 441 B13R2.9648 CC=1CC2C(CC1C=O)C2(C)C Amb25066456 [0,1,0,1,0,0|0,0,2]=4 442 B13R2.9648 CC=1C[C@H]2[C@@H](CC1C=O)C2(C)C Amb25294375 [0,1,0,1,0,0|0,0,2]=4 443 B13R2.428 CC(=C)C1CC=C(CC1)C2CO2 Amb25751595 [0,1,0,1,0,0|0,0,2]=4 444 B13R2.4143 CC1(C)[C@H]2C[C@@H]1CC=C2CC=O Amb25314555 [0,1,0,1,0,0|0,0,2]=4 445 B13R2.438 CC(=O)C=1CC2C(CC1)C2(C)C Amb25045865 [0,1,0,1,0,0|0,0,2]=4 446 B13R2.438 CC1(C)C2CC=C(CC12)C(O)=O Amb25363315 [0,1,0,1,0,0|0,0,2]=4 447 B13R2.438 CC1(C)C2CCC(=CC12)C(O)=O Amb25159344 [0,1,0,1,0,0|0,0,2]=4 448 B13R2.438 CC1(C)[C@@H]2CCC(=C[C@H]12)C(O)=O Amb24552883 [0,1,0,1,0,0|0,0,2]=4 449 B13R2.438 CC1(C)[C@H]2CC=C(C[C@@H]12)C(O)=O Amb24677721 [0,1,0,1,0,0|0,0,2]=4 450 B13R2.13764 CC(=O)C1=CC[C@H]2C[C@@H]1C2(C)C Amb25174920 [0,1,0,1,0,0|0,0,2]=4 451 B13R2.13764 CC1(C)[C@H]2C[C@@H]1CC=C2C(N)=O Amb25315124 [0,1,0,1,0,0|0,0,2]=4 452 B13R2.13764 OC(=O)C1=CCC2CC1C2(C)C Amb17594128 [0,1,0,1,0,0|0,0,2]=4 453 B13R2.2128 CC1(C)C2C(O)C1CC=C2C=O Amb24408408 [0,1,0,1,0,0|0,0,2]=4 454 B13R2.2128 CC1(C)[C@H]2[C@@H](O)[C@@H]1CC=C2C=O Amb24654951 [0,1,0,1,0,0|0,0,2]=4 455 B13R2.9615 CC1(C)C2CC1C(C=O)=CC2O Amb24378995 [0,1,0,1,0,0|0,0,2]=4 456 B13R2.9615 CC1(C)[C@H]2C[C@@H]1C(C=O)=C[C@@H]2O Amb24633456 [0,1,0,1,0,0|0,0,2]=4 457 B13R2.9615 CC1C=C(C=O)C2CC1C2(C)C Amb24378453 [0,1,0,1,0,0|0,0,2]=4 458 B9R0.43 CC(=O)CCC(CC)=CC Amb24518433 [0,0,1,0,1,0|2,0,0]=4 459 B9R0.43 CC(=O)CC\C(\C=O)=C\C Amb18643605 [0,0,1,0,1,0|1,0,0]=3 460 B9R0.43 CC(=O)CC\C(\CC)=C\C Amb25857597 [0,0,1,0,1,0|2,0,0]=4 461 B9R0.43 CC(=O)OC\C(\C=O)=C\C Amb25371691 [0,0,1,0,1,0|2,0,0]=4 462 B9R0.43 CC(C)=CC\C(\C=O)=C\C Amb18643302 [0,0,1,0,1,0|0,0,2]=4 463 B9R0.43 CCC(CCC(C)=O)C=O Amb18643911 [0,0,1,0,1,0|1,0,1]=4 464 B9R0.43 CCN(CCC(C)=O)C=O Amb24458250 [0,0,1,0,1,0|2,0,0]=4 465 B9R0.43 CC[C@@H](CCC(C)=O)C=O Amb24573990 [0,0,1,0,1,0|1,0,1]=4 466 B9R0.43 CC\C(\C=O)=C/CC(C)C Amb25371823 [0,0,1,0,1,0|0,0,2]=4 467 B9R0.42 CC(=O)C(C)\C=C(\C)/C=O Amb24715740 [0,0,1,0,1,0|1,0,0]=3 468 B9R0.42 CC(=O)[C@@H](C)\C=C(/C)\C=C Amb25112504 [0,0,1,0,1,0|2,0,0]=4 469 B9R0.42 CC(=O)[C@H](C)\C=C(/C)\C=C Amb24480436 [0,0,1,0,1,0|2,0,0]=4 470 B9R0.42 CC(C)=C(C)\C=C(/C)\C=O Amb24638028 [0,0,1,0,1,0|0,0,2]=4 471 B9R0.42 C[C@H](C[C@H](C)C=O)C(C)=O Amb25043958 [0,0,1,0,1,0|1,0,1]=4 472 B9R0.42 C[C@H](\C=C(/C)\C=O)[C@@H](C)O Amb24452145 [0,0,1,0,1,0|1,0,1]=4 473 B9R1.21 C=CC1CC(C=O)=CS1 Amb24758535 [1,0,0,0,1,0|1,0,0]=3 474 B9R1.21 C=CC1CC(CC1)C=C Amb22351911 [1,0,0,0,1,0|1,0,1]=4 475 B9R1.21 CCC1C=C(CS1)C=O Amb18124606 [1,0,0,0,1,0|1,0,1]=4 476 B9R1.21 CCC1CC(CC1)C=O Amb25312233 [1,0,0,0,1,0|0,0,2]=4 477 B9R1.21 CCC1CN(CC1)C=O Amb24475759 [1,0,0,0,1,0|1,0,1]=4 478 B9R1.21 CNC1CC(CC1)C=O Amb24374756 [1,0,0,0,1,0|1,0,1]=4 479 B9R1.21 O=CC1CC(CC1)C=O Amb18642420 [1,0,0,0,1,0|1,0,1]=4 480 B9R1.21 O=C[C@@H]1C[C@H](CC1)C=O Amb24715887 [1,0,0,0,1,0|1,0,1]=4 481 B9R1.21 O=C[C@H]1C[C@H](CC1)C=O Amb24392142 [1,0,0,0,1,0|1,0,1]=4 482 B9R1.35 C=C(Br)C1CC(=O)OC1 Amb25707934 [1,0,0,0,1,0|2,0,0]=4 483 B9R1.35 CC(=C)C1COC(=O)N1 Amb24477743 [1,0,0,0,1,0|2,0,0]=4 484 B9R1.35 CC(=C)C1CSC(=O)N1 Amb25823537 [1,0,0,0,1,0|2,0,0]=4 485 B9R1.35 CC(=C)N1CC(=O)C=C1 Amb24062025 [1,0,0,0,1,0|1,0,1]=4 486 B9R1.35 CC(=C)[C@@H]1CC(=O)CC1 Amb25712704 [1,0,0,0,1,0|0,0,0]=2 487 B9R1.35 CC(=C)[C@@H]1CCC(=O)N1 Amb25142143 [1,0,0,0,1,0|1,0,0]=3 488 B9R1.35 CC(=C)[C@@H]1CC[C@@H](O)C1 Amb24688273 [1,0,0,0,1,0|0,0,2]=4 489 B9R1.35 CC(=C)[C@H]1CC[C@@H](O)C1 Amb25235646 [1,0,0,0,1,0|0,0,2]=4 490 B9R1.35 CC(=C)[C@H]1CC[C@H](O)C1 Amb25357163 [1,0,0,0,1,0|0,0,2]=4 491 B9R1.35 CC(=O)C1CC(=O)C=C1 Amb25851582 [1,0,0,0,1,0|1,0,1]=4 492 B9R1.35 CC(=O)C1CC(=O)CC1 Amb24423910 [1,0,0,0,1,0|1,0,0]=3 493 B9R1.35 CC(=O)C1CC(=O)CS1 Amb24061575 [1,0,0,0,1,0|2,0,0]=4 494 B9R1.35 CC(=O)C1CCC(=O)N1 Amb24432249 [1,0,0,0,1,0|2,0,0]=4 495 B9R1.35 CC(=O)N1CC(=O)CC1 Amb18832698 [1,0,0,0,1,0|2,0,0]=4 496 B9R1.35 CC(=O)[C@@H]1CC(=O)OC1 Amb18832647 [1,0,0,0,1,0|2,0,0]=4 497 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 Amb24182046 [1,0,0,0,1,0|2,0,0]=4 498 B9R1.35 CC(=O)[C@H]1CC(=O)CC1 Amb24407171 [1,0,0,0,1,0|1,0,0]=3 499 B9R1.35 CC(=O)[C@H]1CC(=O)OC1 Amb24390313 [1,0,0,0,1,0|2,0,0]=4 500 B9R1.35 CC(=O)[C@H]1CCC(=O)O1 Amb24524212 [1,0,0,0,1,0|2,0,0]=4 501 B9R1.35 CC(C)=C1CC(=O)CC1 Amb25370822 [1,0,0,0,1,0|0,0,2]=4 502 B9R1.35 CC(C)C1CC(=O)CC1 Amb25147190 [1,0,0,0,1,0|0,0,2]=4 503 B9R1.35 CN(C)C1CC(=O)CC1 Amb24445836 [1,0,0,0,1,0|1,0,1]=4 504 B9R1.35 CS(=O)C1CC(=O)CC1 Amb25147151 [1,0,0,0,1,0|2,0,0]=4 505 B9R1.35 O=C1CCC(C1)C(=O)Cl Amb25282784 [1,0,0,0,1,0|2,0,0]=4 506 B9R1.35 OC(=O)[C@@H]1CC(=O)CC1 Amb22746923 [1,0,0,0,1,0|2,0,0]=4 507 B11R1.20 CC(=C)CC1CCC(=O)C=C1 Amb25205398 [1,0,0,0,0,1|0,0,1]=3 508 B11R1.20 CC(=O)CC1CCC(=O)C=C1 Amb25735070 [1,0,0,0,0,1|1,0,1]=4 509 B11R1.20 CC(=O)CC1CCC(=O)CC1 Amb24631170 [1,0,0,0,0,1|1,0,1]=4 510 B11R1.20 CC(=O)NC1CCC(=O)NC1 Amb24477612 [1,0,0,0,0,1|2,0,0]=4 511 B11R1.20 CC(=O)O[C@H]1CCC(=O)NC1 Amb24509789 [1,0,0,0,0,1|2,0,0]=4 512 B11R1.20 O=C1CCC(CC1)NC(=O)C Amb1162738 [1,0,0,0,0,1|1,0,1]=4 513 B11R1.266 CC(=C)C1CC(C=O)=CCC1 Amb24444829 [0,0,0,0,1,1|0,0,0]=2 514 B11R1.266 CC(=O)C1CC(C=C)=CCC1 Amb25833621 [0,0,0,0,1,1|2,0,0]=4 515 B11R1.266 CC(=O)N1CCCC(C=O)=C1 Amb24062330 [0,0,0,0,1,1|2,0,0]=4