0 B9R0.44 CC(C)(C)OC(=O)CCN A136410 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.44 CC(C)(C)OC(=O)CCN T191093 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.44 CC(C)(C)OC(=O)CCO T334144 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.44 CC(CC=O)CC(C)(C)C T113592 [0,0,0,0,0,0|0,0,2]=2 4 B9R0.44 CC(CCO)CC(C)(C)C T162750 [0,0,0,0,0,0|0,0,0]=0 5 B9R0.44 CCOC(=O)CC(C)(C)C E156145 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.44 C[N+](C)(C)CC(CC#N)O C303316 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.5 CCCC(=O)CC(C)C M158863 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.5 CCCC(C)CC(=C)C D155264 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.5 CCCC(C)CC(C)C D155226 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.5 CCCC(C)CC(C)C D414618 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.21 CC(C)(C)NCCC#N T300573 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.21 CCCC=CC(C)(C)C T161772 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.21 C[Si](C)(C)CCCCO T303337 [1,0,0,0,0,0|0,1,0]=2 14 B8R0.21 C[Si](C)(C)CCOCCl T106619 [1,0,0,0,0,0|2,1,0]=4 15 B8R0.24 CC(C)(C)OC(=O)CO T193628 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.24 CC(CC(C)(C)C)C=C T161801 [1,0,0,0,0,0|0,0,2]=3 17 B8R0.24 CCC(=O)OC(C)(C)C T162406 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.24 C[N+](C)(C)CC(CCl)O C120679 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.24 C[N+](C)(C)CC(CCl)O I165411 [1,0,0,0,0,0|3,0,0]=4 20 B10R0.7 NCCC(C)CC(C)(C)CN T111405 [0,1,0,0,0,0|1,0,0]=2 21 B10R0.28 CC(C)(C)OC(=O)NCCO B106014 [0,1,0,0,0,0|2,0,1]=4 22 B10R0.31 CC(CC(=O)Cl)CC(C)(C)C T161607 [0,1,0,0,0,0|0,0,2]=3 23 B10R0.31 CC(CC(=O)O)CC(C)(C)C T106595 [0,1,0,0,0,0|0,0,1]=2 24 B10R0.31 C[N+](C)(C)CC(CC(=O)O)O C119762 [0,1,0,0,0,0|2,0,1]=4 25 B10R0.31 C[N+](C)(C)CC(CC(=O)O)O C119784 [0,1,0,0,0,0|2,0,1]=4 26 B10R0.31 C[N+](C)(C)CC(CC(=O)O)O L425345 [0,1,0,0,0,0|2,0,1]=4 27 B10R0.31 C[N+](C)(C)CC(O)CC(O)=O D408460 [0,1,0,0,0,0|2,0,1]=4 28 B10R0.48 CC(C)(C)CC(C)(C)NC=O N159448 [0,1,0,0,0,0|1,0,2]=4 29 B10R1.95 CC1(OCC(O1)CCO)C H349119 [0,0,0,1,0,0|2,0,0]=3 30 B10R1.95 CC1(OCC(O1)CCO)C R160923 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.329 CC1CC(=O)CC(C1)(C)C T161473 [0,0,0,1,0,0|0,0,2]=3 32 B10R1.329 CC1CC(CC(C1)(C)C)O C153390 [0,0,0,1,0,0|0,0,0]=1 33 B10R1.329 CC1CC(CC(C1)(C)C)O T124737 [0,0,0,1,0,0|0,0,0]=1 34 B10R1.329 CC1CC(CC(C1)(C)C)O T131026 [0,0,0,1,0,0|0,0,0]=1 35 B8R0.14 CCCC(=O)C(C)(C)C D185098 [0,0,0,0,1,0|2,0,1]=4 36 B8R0.14 CCCC(C(C)(C)C)O D155909 [0,0,0,0,1,0|2,0,0]=3 37 B8R0.14 CCCC(C)C(C)(C)O D155908 [0,0,0,0,1,0|2,0,0]=3 38 B7R0.2 CC(C)CC(=NO)C M302141 [2,0,0,0,0,0|1,0,1]=4 39 B7R0.2 CC(C)CC(CO)N L117136 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.2 CC(C)CC(CO)N S133878 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.2 CC(CN(C)C)CCl D134652 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.2 CCC(=O)CC(C)C E156458 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.2 CCC(C)CC(C)C D155187 [2,0,0,0,0,0|0,0,0]=2 44 B7R0.2 CCC(C)CC(C)N D135535 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.2 CN(C)CC(CO)O D135042 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.4 CC(C)COCCO E156429 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.4 CC(C)CSCCO I157607 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.4 CC(C)NCCCO I157484 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.4 CC(C)OCCCN A133357 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.4 CC(CCCCO)O H474422 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.4 CCCCCC(C)C M113649 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.4 CCCCCC(C)C M406726 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.4 CCCCCC(C)N A166657 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.4 CCCCCC(C)N A421028 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.4 CCCCCC(C)N S474322 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.4 CCCCCC(C)O H100747 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.4 CCCCCC(C)O I137289 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.4 CN(C)CCCCN B301211 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.7 CC(CCO)CCO M157872 [2,0,0,0,0,0|1,0,0]=3 60 B7R0.7 CCCC(C)CCC M113651 [2,0,0,0,0,0|1,0,0]=3 61 B7R0.7 CCCC(CCC)N H156930 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.7 CCCC(CCC)O H156873 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.7 CCCC(CCO)S M102905 [2,0,0,0,0,0|1,0,0]=3 64 B7R0.7 CCCN(C)CCC I169711 [2,0,0,0,0,0|2,0,0]=4 65 B7R0.7 CN(CCO)CCO M105602 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.7 CN(CCO)CCO M105603 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.8 CC(C)(C)OCCO E107660 [2,0,0,0,0,0|1,0,0]=3 68 B7R0.8 CC(C)(C)SCCN T405389 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.8 CCCCC(C)(C)C D106282 [2,0,0,0,0,0|0,0,0]=2 70 B7R0.8 CCCCC(C)(C)O M157782 [2,0,0,0,0,0|1,0,0]=3 71 B7R0.8 CCCC[N+](C)(C)C B303274 [2,0,0,0,0,0|1,0,0]=3 72 B7R0.8 CCCC[Si](C)(C)Cl B152689 [2,0,0,0,0,0|1,1,0]=4 73 B7R0.8 CCCC[Si](C)(C)Cl B572936 [2,0,0,0,0,0|1,1,0]=4 74 B7R0.8 CCCO[Si](C)(C)C T357378 [2,0,0,0,0,0|1,1,0]=4 75 B7R0.8 C[N+](C)(C)CCCBr B110907 [2,0,0,0,0,0|2,0,0]=4 76 B7R0.8 C[Si](C)(C)CCCCl C192212 [2,0,0,0,0,0|1,1,0]=4 77 B7R0.8 C[Si](C)(C)CCCO T351713 [2,0,0,0,0,0|0,1,0]=3 78 B7R0.9 B(CC(C)(C)C)(O)O N290783 [2,0,0,0,0,0|2,0,0]=4 79 B7R0.9 CC(=C)CC(C)(C)C D106367 [2,0,0,0,0,0|0,0,2]=4 80 B7R0.9 CC(=C)CC(C)(C)C D106368 [2,0,0,0,0,0|0,0,2]=4 81 B7R0.9 CC(=CC(C)(C)C)C T161796 [2,0,0,0,0,0|0,0,2]=4 82 B7R0.9 CC(=O)CC(C)(C)C D171111 [2,0,0,0,0,0|0,0,2]=4 83 B7R0.9 CC(C)(C)CC(=O)O D128107 [2,0,0,0,0,0|1,0,1]=4 84 B7R0.9 CC(C)(CN(C)C)N A483225 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.9 CC(C)CC(C)(C)C I103236 [2,0,0,0,0,0|0,0,0]=2 86 B7R0.9 CC(C)CC(C)(C)C I103237 [2,0,0,0,0,0|0,0,0]=2 87 B7R0.9 CC(C)CC(C)(C)C I103239 [2,0,0,0,0,0|0,0,0]=2 88 B7R0.9 CC(C)CC(C)(C)C I103242 [2,0,0,0,0,0|0,0,0]=2 89 B7R0.9 CC(C)CC(C)(C)C I103243 [2,0,0,0,0,0|0,0,0]=2 90 B7R0.9 CC(C)CC(C)(C)C I113065 [2,0,0,0,0,0|0,0,0]=2 91 B7R0.9 CC(C)CC(C)(C)C I302016 [2,0,0,0,0,0|0,0,0]=2 92 B7R0.9 CC(C)CC(C)(C)C I432868 [2,0,0,0,0,0|0,0,0]=2 93 B7R0.9 CC(C)CC(C)(C)C T119681 [2,0,0,0,0,0|0,0,0]=2 94 B7R0.9 CC(C)CC(C)(C)C T128777 [2,0,0,0,0,0|0,0,0]=2 95 B7R0.9 CC(C)C[Si](C)(C)Cl C337179 [2,0,0,0,0,0|1,1,0]=4 96 B7R0.9 CC(C)NC(C)(C)C N339196 [2,0,0,0,0,0|1,0,0]=3 97 B7R0.9 CC(C)O[Si](C)(C)C I337328 [2,0,0,0,0,0|1,1,0]=4 98 B7R0.9 CC(CC(C)(C)C)O D346243 [2,0,0,0,0,0|0,0,0]=2 99 B7R0.9 CC(CC(C)(C)O)O M108565 [2,0,0,0,0,0|1,0,0]=3 100 B7R0.9 CC(CC(C)(C)O)O M420527 [2,0,0,0,0,0|1,0,0]=3 101 B7R0.9 CC(C[N+](C)(C)C)O B152036 [2,0,0,0,0,0|1,0,0]=3 102 B7R0.9 CC(C[N+](C)(C)C)O B152039 [2,0,0,0,0,0|1,0,0]=3 103 B7R0.9 CC(C[N+](C)(C)C)O B351319 [2,0,0,0,0,0|1,0,0]=3 104 B9R0.34 CCCC(C)CC(C)CC D155216 [1,1,0,0,0,0|1,0,0]=3 105 B9R0.53 CC(C)CC(C)CC(=O)C D301469 [1,1,0,0,0,0|0,0,2]=4 106 B9R0.53 CC(C)CC(CC(=O)O)N D404546 [1,1,0,0,0,0|1,0,1]=4 107 B9R0.53 CC(C)CC(CC(=O)O)N H117054 [1,1,0,0,0,0|1,0,1]=4 108 B9R0.53 CC(C)CC(CC(C)C)O D155712 [1,1,0,0,0,0|2,0,0]=4 109 B9R0.21 CC(C)(C)NCC(CO)O T123076 [1,1,0,0,0,0|1,0,0]=3 110 B9R0.38 CC(C)(C)CCCCC=O G110311 [1,1,0,0,0,0|0,0,1]=3 111 B9R0.38 CCCCCC[N+](C)(C)C H157080 [1,1,0,0,0,0|2,0,0]=4 112 B9R0.38 C[Si](C)(C)C#CCCCO T115792 [1,1,0,0,0,0|0,1,1]=4 113 B9R0.56 CC(C)CCCC(C)(C)O D117531 [1,1,0,0,0,0|2,0,0]=4 114 B9R0.56 C[N+](C)(C)CCCC(=O)O B133529 [1,1,0,0,0,0|1,0,1]=4 115 B9R0.30 CC(C)(C)CC(C)(C)[N+]#[C-] T498736 [1,1,0,0,0,0|1,0,1]=4 116 B9R0.57 CC(C)(C)CC(C(=O)O)N H187615 [1,1,0,0,0,0|1,0,1]=4 117 B9R0.57 CC(C)(C)CC(C(=O)O)N S136939 [1,1,0,0,0,0|1,0,1]=4 118 B9R0.10 CC(C)(C)C(CC(=O)O)N B301216 [0,1,0,0,1,0|1,0,1]=4 119 B11R0.186 CC(C)(C)OC(=O)N(C)CCO H171061 [0,1,0,0,0,1|1,0,1]=4 120 B11R0.208 CC(C)(C)CC(C)(C)CC(=O)[O-] Z335846 [0,2,0,0,0,0|0,0,2]=4 121 B11R0.308 CC(C(C(=O)O)N)OC(C)(C)C B105983 [0,2,0,0,0,0|1,0,1]=4 122 B11R0.359 CC(CC(C)(C)C)CC(C)(C)C P160282 [0,2,0,0,0,0|1,0,0]=3 123 B9R1.34 C1C(CC(CC1O)O)O A151632 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.34 C1C(CC(CC1O)O)O C153243 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.34 CC1CC(CC(=O)C1)C D138533 [1,0,0,1,0,0|0,0,2]=4 126 B9R1.34 CC1CC(CC(C1)C)C T161701 [1,0,0,1,0,0|1,0,0]=3 127 B9R1.34 CC1CC(CC(C1)O)C D155901 [1,0,0,1,0,0|0,0,0]=2 128 B9R1.38 CC1CC(=O)C(C1)(C)C T161555 [1,0,0,1,0,0|0,0,2]=4 129 B9R1.66 CC1(CC(CCO1)N)C A482079 [1,0,0,1,0,0|1,0,0]=3 130 B9R1.66 CC1(CN(CCN1)C)C T406850 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.19 CC(C)(C1CCCN1)O S178234 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.115 CC(C)(C)OCC1CO1 T162025 [1,0,0,1,0,0|1,0,0]=3 133 B9R1.133 CC1(OCC(O1)CO)C D102242 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.133 CC1(OCC(O1)CO)C I123573 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.133 CC1(OCC(O1)CO)C R138225 [1,0,0,1,0,0|2,0,0]=4 136 B11R1.87 CC(C)(C)C1CCCCC1N T337720 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.1362 CC1(CC(=O)CC(C1)(C)C)C T138228 [0,1,0,1,0,0|0,0,2]=4 138 B11R1.1362 CC1(CC(CC(N1)(C)C)N)C A151605 [0,1,0,1,0,0|2,0,0]=4 139 B11R1.1362 CC1(CC(CC(N1)(C)C)O)C H156928 [0,1,0,1,0,0|1,0,0]=3 140 B7R0.5 CC(C)C(CCO)N A348373 [1,0,0,0,1,0|1,0,0]=3 141 B7R0.5 CCCC(C)C(C)C D155209 [1,0,0,0,1,0|1,0,0]=3 142 B7R0.14 CC(=NO)C(C)(C)C P160247 [1,0,0,0,1,0|1,0,1]=4 143 B7R0.14 CC(C)(C)C(CO)N I132198 [1,0,0,0,1,0|1,0,0]=3 144 B7R0.14 CC(C)(C)C(CO)N S160987 [1,0,0,0,1,0|1,0,0]=3 145 B9R0.48 CN(C)CCN(C)CCO D155697 [1,0,0,0,0,1|2,0,0]=4