0 B9R0.35 CCCC(C(=O)CCC)O H101582 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.35 CCCC(C(=O)OCC)Br E139089 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.35 CCCC(C(=O)OCC)N L135831 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.35 CCCC(C)C(=O)OCC E110162 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.35 CCOC(=N)C(=O)OCC E195169 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.35 CCOC(=O)C(=O)OCC D110943 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.35 CCOC(=O)C(=O)OCC D110944 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.35 CCOC(=O)C(=O)OCC D489097 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.1 CCC#CC(=O)OCC E189158 [1,0,0,0,0,0|0,0,2]=3 9 B8R0.1 CCCC(=O)OCCC P100043 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.1 CCCC(=O)OCCC P100044 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.1 CCCC(C)COC=O M158009 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.1 CCCCC(=O)C=CC O160046 [1,0,0,0,0,0|1,0,1]=3 13 B8R0.1 CCCCC(=O)CCC O160045 [1,0,0,0,0,0|1,0,0]=2 14 B8R0.1 CCCCC(=O)OCC E105293 [1,0,0,0,0,0|0,0,0]=1 15 B8R0.1 CCCCC(=O)OCC E105294 [1,0,0,0,0,0|0,0,0]=1 16 B8R0.1 CCCCC(=O)OCC E118465 [1,0,0,0,0,0|0,0,0]=1 17 B8R0.1 CCCCC(CCC)O O159906 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.1 CCOC(=O)C=CCBr E113754 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.1 CCOC(=O)C=CCBr E589630 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.1 CCOC(=O)CCC=C E156151 [1,0,0,0,0,0|0,0,2]=3 21 B8R0.1 CCOC(=O)CCCBr E106908 [1,0,0,0,0,0|1,0,0]=2 22 B8R0.1 CCOC(=O)CCCBr E639064 [1,0,0,0,0,0|1,0,0]=2 23 B8R0.1 CCOC(=O)CCCCl E135072 [1,0,0,0,0,0|1,0,0]=2 24 B8R0.1 CCOC(=O)CCCCl E493598 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.1 CCOC(=O)CCCN E122453 [1,0,0,0,0,0|1,0,0]=2 26 B8R0.1 CCOC(=O)CCC[CH2-] E465916 [1,0,0,0,0,0|0,0,1]=2 27 B8R0.1 CCOC(=O)CCSC E107629 [1,0,0,0,0,0|1,0,0]=2 28 B8R0.1 CCOC(=O)CN=C=O E156271 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.1 CCOC(=O)CN=C=S E101903 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.1 CCOC(=O)CN=[N+]=[N-] E189179 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.1 CCOC(=O)CNC=O N159320 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.1 CCOC(=O)OCC=C A151039 [1,0,0,0,0,0|1,0,2]=4 33 B8R0.1 CCOCC(=O)OCC E195171 [1,0,0,0,0,0|1,0,0]=2 34 B8R0.3 CC(COC)C(=O)OC M157985 [1,0,0,0,0,0|1,0,0]=2 35 B8R0.3 CCC(C(=O)OCC)Br E110204 [1,0,0,0,0,0|1,0,0]=2 36 B8R0.3 CCC(C(=O)OCC)N E185185 [1,0,0,0,0,0|1,0,0]=2 37 B8R0.3 CCC(C(=O)OCC)O E156260 [1,0,0,0,0,0|1,0,0]=2 38 B8R0.3 CCC(C)C(=O)C=CC W136042 [1,0,0,0,0,0|1,0,1]=3 39 B8R0.3 CCC(C)C(=O)OCC E117676 [1,0,0,0,0,0|0,0,0]=1 40 B8R0.3 CCCC(=O)C(C)CC M158867 [1,0,0,0,0,0|1,0,0]=2 41 B8R0.3 CCCC(=O)N(C)OC N404707 [1,0,0,0,0,0|3,0,0]=4 42 B8R0.3 CCCC(C(=O)NO)N B300173 [1,0,0,0,0,0|3,0,0]=4 43 B8R0.3 CCCC(C)C(=O)OC B300583 [1,0,0,0,0,0|0,0,0]=1 44 B8R0.3 CCOC(=O)C(=C)CBr E124201 [1,0,0,0,0,0|1,0,2]=4 45 B8R0.3 CCOC(=O)C(=C)CO E156133 [1,0,0,0,0,0|1,0,2]=4 46 B8R0.3 CCOC(=O)C(=CC)C E117529 [1,0,0,0,0,0|0,0,2]=3 47 B8R0.3 CCOC(=O)C(=O)CBr E111180 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.3 CCOC(=O)C(C)C#N E124214 [1,0,0,0,0,0|1,0,1]=3 49 B8R0.3 CCOC(=O)C(C=O)Cl E183753 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.3 CCOC(=O)C(CBr)Br E102371 [1,0,0,0,0,0|2,0,0]=3 51 B8R0.3 CCOC(=O)C(CCl)O E357552 [1,0,0,0,0,0|2,0,0]=3 52 B8R0.3 CCOC(=O)C(CO)N D188981 [1,0,0,0,0,0|2,0,0]=3 53 B8R0.3 CCOC(=O)C(CO)N S105478 [1,0,0,0,0,0|2,0,0]=3 54 B8R0.3 CCOC(=O)C(CS)N C100827 [1,0,0,0,0,0|2,0,0]=3 55 B8R0.3 CCOC(=O)N(C)N=O N135222 [1,0,0,0,0,0|3,0,0]=4 56 B8R0.3 COC(=O)C(CCBr)Br M588617 [1,0,0,0,0,0|2,0,0]=3 57 B10R0.19 CCCCC(C(=O)OCC)Br E117976 [0,1,0,0,0,0|1,0,0]=2 58 B10R0.19 CCOC(=O)C(CCSC)N S169307 [0,1,0,0,0,0|1,0,0]=2 59 B10R0.32 CCOC(=O)C(=O)CC(=O)C E136676 [0,1,0,0,0,0|1,0,2]=4 60 B10R0.32 CCOC(=O)C(CC(C)C)N L100533 [0,1,0,0,0,0|1,0,0]=2 61 B10R0.32 CCOC(=O)C(CC(C)C)O E156251 [0,1,0,0,0,0|1,0,0]=2 62 B10R0.33 CCOC(=O)C(CC#N)C#N E338468 [0,1,0,0,0,0|1,0,2]=4 63 B10R0.35 CCC(=O)C(C(=O)OCC)F E186446 [0,1,0,0,0,0|1,0,1]=3 64 B10R1.4 C=CCC1CCCCC1=O A151742 [0,0,0,1,0,0|1,0,2]=4 65 B10R1.4 CCCC1CCCCC1=O P160132 [0,0,0,1,0,0|1,0,0]=2 66 B10R1.11 CCOC(=O)C1CC=CC1 E134358 [0,0,0,1,0,0|0,0,2]=3 67 B10R1.11 CCOC(=O)C1CCCN1 S161203 [0,0,0,1,0,0|1,0,0]=2 68 B10R1.11 CCOC(=O)C1CSCN1 R195373 [0,0,0,1,0,0|2,0,0]=3 69 B10R1.118 CC1C(=O)OC(C(=O)O1)C D190506 [0,0,0,1,0,0|2,0,1]=4 70 B10R1.118 CC1C(=O)OC(C(=O)O1)C P133293 [0,0,0,1,0,0|2,0,1]=4 71 B10R1.118 CC1C(=O)OC(C(=O)O1)C P133294 [0,0,0,1,0,0|2,0,1]=4 72 B10R1.118 CC1C(=O)OC(C(=O)O1)C P133295 [0,0,0,1,0,0|2,0,1]=4 73 B10R1.118 CC1C(=O)OC(C(=O)O1)C P133296 [0,0,0,1,0,0|2,0,1]=4 74 B10R1.118 CC1C(=O)OC(C(=O)O1)C P133297 [0,0,0,1,0,0|2,0,1]=4 75 B10R1.118 CC1C(=O)OC(C(=O)O1)C P133342 [0,0,0,1,0,0|2,0,1]=4 76 B10R1.118 CC1C(=O)OC(C(=O)O1)C P133343 [0,0,0,1,0,0|2,0,1]=4 77 B10R1.118 CC1C(=O)OC(C(=O)O1)C P134385 [0,0,0,1,0,0|2,0,1]=4 78 B10R1.118 CC1C(=O)OC(C(=O)O1)C P134386 [0,0,0,1,0,0|2,0,1]=4 79 B10R1.118 CC1C(=O)OC(C(=O)O1)C P134564 [0,0,0,1,0,0|2,0,1]=4 80 B10R1.118 CC1C(=O)OC(C(=O)O1)C P134565 [0,0,0,1,0,0|2,0,1]=4 81 B10R1.118 CC1C(=O)OC(C(=O)O1)C P134566 [0,0,0,1,0,0|2,0,1]=4 82 B10R1.118 CC1C(=O)OC(C(=O)O1)C P136520 [0,0,0,1,0,0|2,0,1]=4 83 B10R1.118 CC1C(=O)OC(C(=O)O1)C P136521 [0,0,0,1,0,0|2,0,1]=4 84 B10R1.118 CC1C(=O)OC(C(=O)O1)C P136522 [0,0,0,1,0,0|2,0,1]=4 85 B10R1.118 CC1C(=O)OC(C(=O)O1)C P299052 [0,0,0,1,0,0|2,0,1]=4 86 B10R1.118 CC1C(=O)OC(C(=O)O1)C P299054 [0,0,0,1,0,0|2,0,1]=4 87 B10R1.118 CC1C(=O)OC(C(=O)O1)C P299055 [0,0,0,1,0,0|2,0,1]=4 88 B10R1.118 CC1C(=O)OC(C(=O)O1)C P299056 [0,0,0,1,0,0|2,0,1]=4 89 B10R1.118 CC1C(=O)OC(C(=O)O1)C P299057 [0,0,0,1,0,0|2,0,1]=4 90 B10R1.118 CC1C(=O)OC(C(=O)O1)C P299354 [0,0,0,1,0,0|2,0,1]=4 91 B10R1.118 CC1C(=O)OC(C(=O)O1)C R432516 [0,0,0,1,0,0|2,0,1]=4 92 B10R1.118 CC1C(=O)OC(C(=O)O1)C R432519 [0,0,0,1,0,0|2,0,1]=4 93 B10R1.118 CC1C(=O)OC(C(=O)O1)C R432524 [0,0,0,1,0,0|2,0,1]=4 94 B10R1.118 CC1C(=O)OC(C(=O)O1)C S161079 [0,0,0,1,0,0|2,0,1]=4 95 B10R1.118 CC1C(=O)OC(C(=O)O1)C S161100 [0,0,0,1,0,0|2,0,1]=4 96 B10R1.140 CCOC(=O)C1CC(=O)C1 E139366 [0,0,0,1,0,0|1,0,1]=3 97 B10R1.212 CCOC(=O)C(C1CC1)Br E172503 [0,0,0,1,0,0|1,0,0]=2 98 B10R1.401 CCOC(=O)C1(CCC1)Br E169805 [0,0,0,1,0,0|1,0,0]=2 99 B10R0.2 CCCC(=O)CC(=O)OCC E107545 [0,0,0,0,0,1|1,0,1]=3 100 B10R0.2 CCCC(=O)OC(=O)CCC B108974 [0,0,0,0,0,1|2,0,1]=4 101 B10R0.2 CCCC(CC(=O)OCC)O E117524 [0,0,0,0,0,1|1,0,0]=2 102 B10R0.2 CCOC(=CC(=O)OCC)N E169739 [0,0,0,0,0,1|2,0,1]=4 103 B10R0.2 CCOC(=N)CC(=O)OCC E183025 [0,0,0,0,0,1|2,0,1]=4 104 B10R0.2 CCOC(=O)CC(=O)OCC D103949 [0,0,0,0,0,1|2,0,1]=4 105 B10R0.2 CCOC(=O)CC(=O)OCC D420478 [0,0,0,0,0,1|2,0,1]=4 106 B10R0.2 CCOC(=O)CC(=O)OCC D472016 [0,0,0,0,0,1|2,0,1]=4 107 B10R0.2 CCOC(=O)CC(CC#N)O E121627 [0,0,0,0,0,1|2,0,1]=4 108 B10R0.2 CCOC(=O)OC(=O)OCC D105557 [0,0,0,0,0,1|2,0,1]=4 109 B10R0.2 CCOC(=O)OC(=O)OCC D137738 [0,0,0,0,0,1|2,0,1]=4 110 B7R0.1 CCC=CCCCO C153484 [2,0,0,0,0,0|2,0,0]=4 111 B7R0.1 CCCC=CCCC C153585 [2,0,0,0,0,0|1,0,1]=4 112 B7R0.1 CCCC=CCCC T161815 [2,0,0,0,0,0|1,0,1]=4 113 B7R0.1 CCCCC=CCC C153584 [2,0,0,0,0,0|1,0,0]=3 114 B7R0.1 CCCCC=CCC T161817 [2,0,0,0,0,0|1,0,0]=3 115 B7R0.1 CCCCC=CCO T161435 [2,0,0,0,0,0|2,0,0]=4 116 B7R0.1 CCCCCCCC O100577 [2,0,0,0,0,0|1,0,1]=4 117 B7R0.1 CCCCCCCC O100578 [2,0,0,0,0,0|1,0,1]=4 118 B7R0.1 CCCCCCCC O100580 [2,0,0,0,0,0|1,0,1]=4 119 B7R0.1 CCCCCCCC O100581 [2,0,0,0,0,0|1,0,1]=4 120 B7R0.1 CCCCCCCC O119714 [2,0,0,0,0,0|1,0,1]=4 121 B7R0.1 CCOCCOCC E103986 [2,0,0,0,0,0|1,0,1]=4 122 B7R0.1 CCOCCOCC E103987 [2,0,0,0,0,0|1,0,1]=4 123 B7R0.1 CCOCCOCC E103989 [2,0,0,0,0,0|1,0,1]=4 124 B7R0.3 CCC(=O)NCCO N158966 [2,0,0,0,0,0|2,0,0]=4 125 B7R0.3 CCCCC(=C)CC E156236 [2,0,0,0,0,0|1,0,0]=3 126 B7R0.3 CCCCC(=O)CC H103766 [2,0,0,0,0,0|0,0,0]=2 127 B7R0.3 CCCCC(=O)NN P135113 [2,0,0,0,0,0|2,0,0]=4 128 B7R0.3 CCCCC(=O)OC M108213 [2,0,0,0,0,0|0,0,0]=2 129 B7R0.3 CCCCC(=O)OC M108214 [2,0,0,0,0,0|0,0,0]=2 130 B7R0.3 CCCCC(C)CC M113650 [2,0,0,0,0,0|1,0,1]=4 131 B7R0.3 CCCCC(CC)Br B152441 [2,0,0,0,0,0|1,0,1]=4 132 B7R0.3 CCCCC(CC)O H156872 [2,0,0,0,0,0|0,0,2]=4 133 B7R0.3 CCCNC(C)CC N158968 [2,0,0,0,0,0|2,0,0]=4 134 B7R0.3 CCCOC(=O)CC P111531 [2,0,0,0,0,0|1,0,0]=3 135 B7R0.3 CCCOC(=O)CC P111532 [2,0,0,0,0,0|1,0,0]=3 136 B7R0.3 COC(=O)CCC#N M135512 [2,0,0,0,0,0|1,0,1]=4 137 B7R0.3 COC(=O)CCC#N M293045 [2,0,0,0,0,0|1,0,1]=4 138 B7R0.3 COC(=O)CCC=C M338666 [2,0,0,0,0,0|0,0,2]=4 139 B7R0.3 COC(=O)CCCBr M158832 [2,0,0,0,0,0|1,0,0]=3 140 B7R0.3 COC(=O)CCCBr M492178 [2,0,0,0,0,0|1,0,0]=3 141 B7R0.3 COC(=O)CCCCl C108118 [2,0,0,0,0,0|1,0,0]=3 142 B7R0.3 COC(=O)CCCI M167258 [2,0,0,0,0,0|1,0,0]=3 143 B7R0.3 COC(=O)CCCN M124081 [2,0,0,0,0,0|1,0,0]=3 144 B7R0.3 COC(=O)CCSC M302466 [2,0,0,0,0,0|1,0,0]=3 145 B7R0.3 COCCC(=O)OC M134953 [2,0,0,0,0,0|1,0,0]=3 146 B7R0.7 CCCC(=O)CCC H103840 [2,0,0,0,0,0|1,0,0]=3 147 B7R0.7 CCCC(=O)CCC H103841 [2,0,0,0,0,0|1,0,0]=3 148 B7R0.7 CCCC(=O)OC=C V162944 [2,0,0,0,0,0|0,0,2]=4 149 B7R0.7 CCCC(=O)OCC E101116 [2,0,0,0,0,0|0,0,0]=2 150 B7R0.7 CCCC(=O)OCC E101117 [2,0,0,0,0,0|0,0,0]=2 151 B7R0.7 CCCC(=O)OCC E101119 [2,0,0,0,0,0|0,0,0]=2 152 B7R0.7 CCCC(=O)OCCl C153957 [2,0,0,0,0,0|1,0,0]=3 153 B7R0.7 CCCC(C)CCC M113651 [2,0,0,0,0,0|0,0,1]=3 154 B7R0.7 CCCC(CCC)N H156930 [2,0,0,0,0,0|1,0,1]=4 155 B7R0.7 CCCC(CCC)O H156873 [2,0,0,0,0,0|1,0,1]=4 156 B7R0.7 CCCN(C)CCC I169711 [2,0,0,0,0,0|1,0,1]=4 157 B7R0.7 CCNC(=O)NCC D108032 [2,0,0,0,0,0|2,0,0]=4 158 B7R0.7 CCOC(=O)C#CC E106247 [2,0,0,0,0,0|0,0,2]=4 159 B7R0.7 CCOC(=O)C=CC E156252 [2,0,0,0,0,0|0,0,2]=4 160 B7R0.7 CCOC(=O)CC#N E105739 [2,0,0,0,0,0|1,0,1]=4 161 B7R0.7 CCOC(=O)CC#N E105740 [2,0,0,0,0,0|1,0,1]=4 162 B7R0.7 CCOC(=O)CC=C E587504 [2,0,0,0,0,0|0,0,2]=4 163 B7R0.7 CCOC(=O)CCBr E106956 [2,0,0,0,0,0|1,0,0]=3 164 B7R0.7 CCOC(=O)CCCl E100652 [2,0,0,0,0,0|1,0,0]=3 165 B7R0.7 CCOC(=O)CCI E185756 [2,0,0,0,0,0|1,0,0]=3 166 B7R0.7 CCOC(=O)CCN A100434 [2,0,0,0,0,0|1,0,0]=3 167 B7R0.7 CCOC(=O)CCO E185621 [2,0,0,0,0,0|1,0,0]=3 168 B7R0.7 CCOC(=O)CCS E119585 [2,0,0,0,0,0|1,0,0]=3 169 B7R0.7 CCOC(=O)CC[CH2-] E465885 [2,0,0,0,0,0|0,0,1]=3 170 B7R0.7 CCOC(=O)CNC E115901 [2,0,0,0,0,0|1,0,0]=3 171 B7R0.7 CCOC(=O)CNN E134414 [2,0,0,0,0,0|2,0,0]=4 172 B7R0.7 CCOC(=O)COC E136304 [2,0,0,0,0,0|1,0,0]=3 173 B7R0.7 CCOC(=O)CSC E156475 [2,0,0,0,0,0|1,0,0]=3 174 B7R0.7 CCOC(=O)C[N+]#[C-] E156037 [2,0,0,0,0,0|1,0,1]=4 175 B7R0.7 CCOC(=O)C[N+]#[C-] E400243 [2,0,0,0,0,0|1,0,1]=4 176 B7R0.7 CCOC(=O)OCC D103040 [2,0,0,0,0,0|1,0,0]=3 177 B7R0.7 CCOC(=O)OCCl C192930 [2,0,0,0,0,0|2,0,0]=4 178 B7R0.7 CCOC(C)OCC A109196 [2,0,0,0,0,0|1,0,0]=3 179 B7R0.7 CCOC(C)OCC A109197 [2,0,0,0,0,0|1,0,0]=3 180 B7R0.7 CCOS(=O)OCC D122901 [2,0,0,0,0,0|2,0,0]=4 181 B7R0.7 CCO[P+](=O)OCC D109100 [2,0,0,0,0,0|2,0,0]=4 182 B7R0.7 CCO[Si](C)OCC D155451 [2,0,0,0,0,0|1,1,0]=4 183 B7R0.5 C(CBr)C(C(=O)O)N A101191 [2,0,0,0,0,0|2,0,0]=4 184 B7R0.5 C(CN)C(C(=O)O)N D102446 [2,0,0,0,0,0|2,0,0]=4 185 B7R0.5 C(CN)C(C(=O)O)N D113499 [2,0,0,0,0,0|2,0,0]=4 186 B7R0.5 C(CN)C(C(=O)O)N D117019 [2,0,0,0,0,0|2,0,0]=4 187 B7R0.5 C(CN)C(C(=O)O)O H181248 [2,0,0,0,0,0|2,0,0]=4 188 B7R0.5 C(CN)C(C(=O)O)O S161042 [2,0,0,0,0,0|2,0,0]=4 189 B7R0.5 C(CO)C(C(=O)O)N H100541 [2,0,0,0,0,0|2,0,0]=4 190 B7R0.5 C(CO)C(C(=O)O)N H101557 [2,0,0,0,0,0|2,0,0]=4 191 B7R0.5 C(CO)C(C(=O)O)N H105430 [2,0,0,0,0,0|2,0,0]=4 192 B7R0.5 C(CO)C(C(=O)O)N L425384 [2,0,0,0,0,0|2,0,0]=4 193 B7R0.5 C(CS)C(C(=O)O)N H106297 [2,0,0,0,0,0|2,0,0]=4 194 B7R0.5 C(CS)C(C(=O)O)N L134501 [2,0,0,0,0,0|2,0,0]=4 195 B7R0.5 CC(=O)N(C)CCO N167555 [2,0,0,0,0,0|2,0,0]=4 196 B7R0.5 CC(CC=C)C(=O)O M111848 [2,0,0,0,0,0|0,0,2]=4 197 B7R0.5 CCC=C(C)C(=O)O M102542 [2,0,0,0,0,0|0,0,2]=4 198 B7R0.5 CCC=C(C)C(=O)O M107371 [2,0,0,0,0,0|0,0,2]=4 199 B7R0.5 CCCC(=O)C(=O)C H106696 [2,0,0,0,0,0|1,0,1]=4 200 B7R0.5 CCCC(=O)C(=O)O O159954 [2,0,0,0,0,0|1,0,1]=4 201 B7R0.5 CCCC(C(=O)O)Br B152768 [2,0,0,0,0,0|1,0,0]=3 202 B7R0.5 CCCC(C(=O)O)N N100542 [2,0,0,0,0,0|1,0,0]=3 203 B7R0.5 CCCC(C(=O)O)N N106191 [2,0,0,0,0,0|1,0,0]=3 204 B7R0.5 CCCC(C(=O)O)N N106215 [2,0,0,0,0,0|1,0,0]=3 205 B7R0.5 CCCC(C(=O)O)O S193305 [2,0,0,0,0,0|1,0,0]=3 206 B7R0.5 CCCC(C(=O)[O-])O B301319 [2,0,0,0,0,0|1,0,1]=4 207 B7R0.5 CCCC(C)C(=O)C M158798 [2,0,0,0,0,0|0,0,0]=2 208 B7R0.5 CCCC(C)C(=O)O B300596 [2,0,0,0,0,0|0,0,0]=2 209 B7R0.5 CCCC(C)C(=O)O M117868 [2,0,0,0,0,0|0,0,0]=2 210 B7R0.5 CCCC(C)C(=O)O M427193 [2,0,0,0,0,0|0,0,0]=2 211 B7R0.5 CCCC(C)C(C)C D155209 [2,0,0,0,0,0|1,0,1]=4 212 B7R0.5 CCOC(=O)C(=C)C E103001 [2,0,0,0,0,0|0,0,2]=4 213 B7R0.5 CCOC(=O)C(=C)C E103002 [2,0,0,0,0,0|0,0,2]=4 214 B7R0.5 CCOC(=O)C(=C)C E492609 [2,0,0,0,0,0|0,0,2]=4 215 B7R0.5 CCOC(=O)C(=O)C E113332 [2,0,0,0,0,0|1,0,1]=4 216 B7R0.5 CCOC(=O)C(Br)Br E331036 [2,0,0,0,0,0|2,0,0]=4 217 B7R0.5 CCOC(=O)C(C)Br E106089 [2,0,0,0,0,0|1,0,0]=3 218 B7R0.5 CCOC(=O)C(C)Br E400066 [2,0,0,0,0,0|1,0,0]=3 219 B7R0.5 CCOC(=O)C(C)C E156123 [2,0,0,0,0,0|0,0,0]=2 220 B7R0.5 CCOC(=O)C(C)Cl E100647 [2,0,0,0,0,0|1,0,0]=3 221 B7R0.5 CCOC(=O)C(C)F E135615 [2,0,0,0,0,0|1,0,0]=3 222 B7R0.5 CCOC(=O)C(C)I E156364 [2,0,0,0,0,0|1,0,0]=3 223 B7R0.5 CCOC(=O)C(C)N A109010 [2,0,0,0,0,0|1,0,0]=3 224 B7R0.5 CCOC(=O)C(C)N A117183 [2,0,0,0,0,0|1,0,0]=3 225 B7R0.5 CCOC(=O)C(C)N D304158 [2,0,0,0,0,0|1,0,0]=3 226 B7R0.5 CCOC(=O)C(C)O E104551 [2,0,0,0,0,0|1,0,0]=3 227 B7R0.5 CCOC(=O)C(C)O E104553 [2,0,0,0,0,0|1,0,0]=3 228 B7R0.5 CCOC(=O)C(C)O E104554 [2,0,0,0,0,0|1,0,0]=3 229 B7R0.5 CCOC(=O)C(C)O E108228 [2,0,0,0,0,0|1,0,0]=3 230 B7R0.5 CCOC(=O)C(C)O E108230 [2,0,0,0,0,0|1,0,0]=3 231 B7R0.5 CCOC(=O)C(C)O E465744 [2,0,0,0,0,0|1,0,0]=3 232 B7R0.5 CCOC(=O)C(C)S E156189 [2,0,0,0,0,0|1,0,0]=3 233 B7R0.5 CCOC(=O)C(Cl)Cl E193802 [2,0,0,0,0,0|2,0,0]=4 234 B7R0.5 CCOC(=O)C(F)Br E102105 [2,0,0,0,0,0|2,0,0]=4 235 B7R0.5 CCOC(=O)C(F)Cl E138797 [2,0,0,0,0,0|2,0,0]=4 236 B7R0.5 CCOC(=O)C(F)F E101733 [2,0,0,0,0,0|2,0,0]=4 237 B7R0.5 CCOC(=O)C(F)F E616466 [2,0,0,0,0,0|2,0,0]=4 238 B7R0.5 CCOC(=O)C(F)I E331038 [2,0,0,0,0,0|2,0,0]=4 239 B7R0.5 CCSC(C)C(=O)O E168418 [2,0,0,0,0,0|1,0,0]=3 240 B7R0.5 CNCC(C(=O)O)N S132658 [2,0,0,0,0,0|2,0,0]=4 241 B7R0.5 COCC(C(=O)O)Cl C133763 [2,0,0,0,0,0|2,0,0]=4 242 B7R0.5 COCC(C(=O)O)N S135785 [2,0,0,0,0,0|2,0,0]=4 243 B7R0.5 CSCC(C(=O)O)N M116973 [2,0,0,0,0,0|2,0,0]=4 244 B7R0.5 C[Se]CC(C(=O)O)N S161277 [2,0,0,0,0,0|2,0,0]=4 245 B7R0.10 CC(C(=O)OC)NC S587983 [2,0,0,0,0,0|1,0,0]=3 246 B7R0.10 CC(CBr)C(=O)OC M158847 [2,0,0,0,0,0|1,0,0]=3 247 B7R0.10 CC(CBr)C(=O)OC M409449 [2,0,0,0,0,0|1,0,0]=3 248 B7R0.10 CC(CO)C(=O)OC M589106 [2,0,0,0,0,0|1,0,0]=3 249 B7R0.10 CC(CO)C(=O)OC R136025 [2,0,0,0,0,0|1,0,0]=3 250 B7R0.10 CC(CO)C(=O)OC S133601 [2,0,0,0,0,0|1,0,0]=3 251 B7R0.10 CC=C(C)C(=O)OC M158196 [2,0,0,0,0,0|0,0,2]=4 252 B7R0.10 CCC(=O)C(=O)CC H102539 [2,0,0,0,0,0|1,0,1]=4 253 B7R0.10 CCC(=O)N(C)OC N404710 [2,0,0,0,0,0|2,0,0]=4 254 B7R0.10 CCC(C(=O)CC)O P121219 [2,0,0,0,0,0|1,0,0]=3 255 B7R0.10 CCC(C(=O)OC)Br M110203 [2,0,0,0,0,0|1,0,0]=3 256 B7R0.10 CCC(C(=O)OC)N D134538 [2,0,0,0,0,0|1,0,0]=3 257 B7R0.10 CCC(C(=O)OC)N S304011 [2,0,0,0,0,0|1,0,0]=3 258 B7R0.10 CCC(C(=O)OC)O M588620 [2,0,0,0,0,0|1,0,0]=3 259 B7R0.10 CCC(C(=O)OC)O M590030 [2,0,0,0,0,0|1,0,0]=3 260 B7R0.10 CCC(C(=O)OC)O R590029 [2,0,0,0,0,0|1,0,0]=3 261 B7R0.10 CCC(C)C(=O)OC M157989 [2,0,0,0,0,0|0,0,0]=2 262 B7R0.10 COC(=O)C(CBr)Br M167887 [2,0,0,0,0,0|2,0,0]=4 263 B7R0.10 COC(=O)C(CCl)Cl M121841 [2,0,0,0,0,0|2,0,0]=4 264 B7R0.10 COC(=O)C(CCl)N M588771 [2,0,0,0,0,0|2,0,0]=4 265 B7R0.10 COC(=O)C(CCl)N S134256 [2,0,0,0,0,0|2,0,0]=4 266 B7R0.10 COC(=O)C(CO)N S101064 [2,0,0,0,0,0|2,0,0]=4 267 B7R0.10 COC(=O)C(CO)N S109008 [2,0,0,0,0,0|2,0,0]=4 268 B7R0.10 COC(=O)C(CO)N S117181 [2,0,0,0,0,0|2,0,0]=4 269 B7R0.10 COC(=O)C(CO)O R587787 [2,0,0,0,0,0|2,0,0]=4 270 B7R0.10 COC(=O)C(CO)O S178884 [2,0,0,0,0,0|2,0,0]=4 271 B7R0.10 COC(=O)C(CS)N C105474 [2,0,0,0,0,0|2,0,0]=4 272 B7R0.10 COC(=O)C(CS)N S133993 [2,0,0,0,0,0|2,0,0]=4 273 B9R0.4 CCCOC(=O)CC(C)C D303979 [1,1,0,0,0,0|2,0,0]=4 274 B9R0.5 CCC=CCC(=O)OCC E117700 [1,1,0,0,0,0|0,0,1]=3 275 B9R0.5 CCCC=CC(=O)OCC E117526 [1,1,0,0,0,0|0,0,1]=3 276 B9R0.5 CCCCCC(=O)CCC N158991 [1,1,0,0,0,0|1,0,0]=3 277 B9R0.5 CCCCCC(=O)OC=C V162949 [1,1,0,0,0,0|0,0,2]=4 278 B9R0.5 CCCCCC(=O)OCC E103497 [1,1,0,0,0,0|0,0,0]=2 279 B9R0.5 CCCCCC(=O)OCC E103498 [1,1,0,0,0,0|0,0,0]=2 280 B9R0.5 CCCCCC(=O)OCC E103499 [1,1,0,0,0,0|0,0,0]=2 281 B9R0.5 CCCCCC(C)CCC M158520 [1,1,0,0,0,0|1,0,1]=4 282 B9R0.5 CCCCOC(=O)C=CC B152883 [1,1,0,0,0,0|1,0,1]=4 283 B9R0.5 CCCCOC(=O)C=CC B293404 [1,1,0,0,0,0|1,0,1]=4 284 B9R0.5 CCCCOC(=O)CCC B103463 [1,1,0,0,0,0|1,0,0]=3 285 B9R0.5 CCCCOC(=O)CCC B103464 [1,1,0,0,0,0|1,0,0]=3 286 B9R0.5 CCCCOC(=O)CCS B340486 [1,1,0,0,0,0|2,0,0]=4 287 B9R0.5 CCOC(=O)CCCCBr E156150 [1,1,0,0,0,0|0,0,0]=2 288 B9R0.5 CCOC(=O)CCCCN E183506 [1,1,0,0,0,0|0,0,0]=2 289 B9R0.5 CCOC(=O)CCN=C=O E170679 [1,1,0,0,0,0|1,0,1]=4 290 B9R0.5 CCOC(=O)COCCCl E305168 [1,1,0,0,0,0|1,0,0]=3 291 B9R0.5 CCOC=CC(=O)OCC E110293 [1,1,0,0,0,0|0,0,2]=4 292 B9R0.5 CCOC=CC(=O)OCC E299465 [1,1,0,0,0,0|0,0,2]=4 293 B9R0.5 CCOC=CC(=O)OCC E589599 [1,1,0,0,0,0|0,0,2]=4 294 B9R0.5 CCOCCC(=O)OCC E108066 [1,1,0,0,0,0|0,0,0]=2 295 B9R0.8 CCCOC(=O)C(C)CC P160535 [1,1,0,0,0,0|2,0,0]=4 296 B9R0.18 C(CC(=O)CCCCl)CCl D193277 [1,1,0,0,0,0|2,0,0]=4 297 B9R0.18 CCCCC(=O)CCCC N102321 [1,1,0,0,0,0|1,0,0]=3 298 B9R0.18 CCCCC(C)CCCC M158523 [1,1,0,0,0,0|1,0,1]=4 299 B9R0.18 CCCCS(=O)CCCC D155298 [1,1,0,0,0,0|2,0,0]=4 300 B9R0.18 CCCC[Sn](=O)CCCC D112984 [1,1,0,0,0,0|2,0,0]=4 301 B9R0.18 CCCOC(=O)OCCC D107452 [1,1,0,0,0,0|1,0,0]=3 302 B9R0.18 CCOCC(COCC)O D154147 [1,1,0,0,0,0|1,0,1]=4 303 B9R0.34 CCC(=O)CC(=O)OCC E122416 [1,1,0,0,0,0|0,0,1]=3 304 B9R0.34 CCC(C)CC(=O)OCC E117866 [1,1,0,0,0,0|0,0,0]=2 305 B9R0.34 CCCC(=O)OC(C)CC S161087 [1,1,0,0,0,0|2,0,0]=4 306 B9R0.34 CCCC(C)CC(C)CC D155216 [1,1,0,0,0,0|1,0,1]=4 307 B9R0.34 CCOC(=O)CC(=O)CCl E156137 [1,1,0,0,0,0|1,0,1]=4 308 B9R0.34 CCOC(=O)CC(CCl)O C108078 [1,1,0,0,0,0|1,0,0]=3 309 B9R0.34 CCOC(=O)CC(CCl)O C108079 [1,1,0,0,0,0|1,0,0]=3 310 B9R0.48 CCCC(=O)OCC(C)C I157497 [1,1,0,0,0,0|2,0,0]=4 311 B9R0.48 CCOC(=O)CCC(=O)C E117674 [1,1,0,0,0,0|0,0,1]=3 312 B9R0.48 CCOC(=O)CCC(=O)Cl E131894 [1,1,0,0,0,0|1,0,1]=4 313 B9R0.48 CCOC(=O)CCC(=O)O M102994 [1,1,0,0,0,0|1,0,1]=4 314 B9R0.48 CCOC(=O)CCC(C)C E169064 [1,1,0,0,0,0|0,0,0]=2 315 B9R0.48 CCOC(=O)CNC(=O)C A109217 [1,1,0,0,0,0|1,0,1]=4 316 B9R0.6 CCOC(=O)C(=O)C(C)Br B194008 [1,1,0,0,0,0|1,0,1]=4 317 B9R0.6 CCOC(=O)C(=O)C(C)C E302716 [1,1,0,0,0,0|1,0,1]=4 318 B9R0.6 CCOC(=O)C(C(=O)C)Cl E124653 [1,1,0,0,0,0|1,0,1]=4 319 B9R0.6 CCOC(=O)C(C(=O)C)F E156450 [1,1,0,0,0,0|1,0,1]=4 320 B9R0.6 CCOC(=O)C(C(C)Br)Br E156140 [1,1,0,0,0,0|1,0,0]=3 321 B9R0.6 CCOC(=O)C(C(C)C)Br E156152 [1,1,0,0,0,0|1,0,0]=3 322 B9R0.6 CCOC(=O)C(C(C)C)N V117195 [1,1,0,0,0,0|1,0,0]=3 323 B9R0.6 CCOC(=O)C(C)C(=O)C E156155 [1,1,0,0,0,0|0,0,1]=3 324 B9R0.6 CCOC(=O)C(C)C(=O)[O-] P586210 [1,1,0,0,0,0|1,0,1]=4 325 B9R0.6 CCOC(=O)C(C)[N+](=O)[O-] E169050 [1,1,0,0,0,0|2,0,0]=4 326 B9R0.19 CCOC(=O)C(C)(C)C#N E156410 [1,1,0,0,0,0|1,0,1]=4 327 B9R0.19 CCOC(=O)C(C)(C)CCl E345965 [1,1,0,0,0,0|1,0,0]=3 328 B9R0.19 CCOC(=O)C(C)(C)CN A483516 [1,1,0,0,0,0|1,0,0]=3 329 B9R0.19 CCOC(=O)C(CBr)(F)F E165943 [1,1,0,0,0,0|2,0,0]=4 330 B9R0.23 CC(C(=O)OC)NC(=O)C M157975 [1,1,0,0,0,0|1,0,1]=4 331 B9R0.23 CC(C)CC(C(=O)OC)N L109004 [1,1,0,0,0,0|1,0,0]=3 332 B9R0.23 CC(C)CC(C(=O)OC)N L113357 [1,1,0,0,0,0|1,0,0]=3 333 B9R0.23 CCC(C)C(=O)OC(C)C I117678 [1,1,0,0,0,0|0,0,0]=2 334 B9R0.27 CC(C(=O)OC)C(=O)OC D137292 [1,1,0,0,0,0|1,0,1]=4 335 B9R0.27 CCC(=O)C(C(=O)OC)F M404753 [1,1,0,0,0,0|1,0,1]=4 336 B9R0.27 CCC(C)C(C(=O)OC)N I109005 [1,1,0,0,0,0|1,0,0]=3 337 B9R0.27 CCC(C)C(C(=O)OC)N M169087 [1,1,0,0,0,0|1,0,0]=3 338 B9R0.37 CCC(CC)C(=O)OCC E156255 [1,1,0,0,0,0|0,0,0]=2 339 B9R0.37 CCOC(=O)C(CBr)CBr E156134 [1,1,0,0,0,0|1,0,0]=3 340 B11R0.5 CCCCC(=O)CC(=O)OCC E156266 [0,1,0,0,0,1|1,0,1]=4 341 B11R0.73 CCC(C)C(C(=O)OCC=C)N I113275 [0,2,0,0,0,0|1,0,1]=4 342 B11R0.155 CCCCOC(=O)C(C)CCC B151849 [0,2,0,0,0,0|0,0,0]=2 343 B11R0.155 CCOC(=O)C(CCCCN)N L100450 [0,2,0,0,0,0|1,0,0]=3 344 B11R0.191 CCCCC(CC)C(=O)OC=C V162953 [0,2,0,0,0,0|0,0,2]=4 345 B11R0.186 CC(C)(C)OC(=O)N(C)CCN N121792 [0,2,0,0,0,0|2,0,0]=4 346 B11R0.186 CC(C)(C)OC(=O)N(C)CCO H171061 [0,2,0,0,0,0|2,0,0]=4 347 B11R0.61 CCCN(CCC)C(=O)SCC E128252 [0,2,0,0,0,0|1,1,0]=4 348 B11R0.61 CCOC(C(=O)OCC)OCC E102769 [0,2,0,0,0,0|1,0,0]=3 349 B9R1.2 CCC1CCCC(C1)C E156078 [1,0,0,1,0,0|1,0,1]=4 350 B9R1.8 CCCC1CCCCC1 P160285 [1,0,0,1,0,0|1,0,1]=4 351 B9R1.15 CCC1CCCCC1C E156070 [1,0,0,1,0,0|1,0,1]=4 352 B9R1.15 COC1CCCCC1=O M158813 [1,0,0,1,0,0|2,0,0]=4 353 B9R1.48 C1CCC(=O)OC(=O)C1 O588008 [1,0,0,1,0,0|1,0,1]=4 354 B9R1.49 CN1CCCC(=O)CC1 M587966 [1,0,0,1,0,0|2,0,0]=4 355 B9R1.50 C1CCCC(=O)CCC1 C106984 [1,0,0,1,0,0|1,0,0]=3 356 B9R1.50 C1CCCNC(=O)CC1 O159930 [1,0,0,1,0,0|1,0,0]=3 357 B9R1.69 CC1CCC(=O)CC1C D154364 [1,0,0,1,0,0|1,0,0]=3 358 B9R1.69 CC1CCC(C(C1)C)C T161696 [1,0,0,1,0,0|1,0,1]=4 359 B9R1.73 CCOC(=O)C1CCC1 E124243 [1,0,0,1,0,0|0,0,0]=2 360 B9R1.73 CCOC(=O)C1CNC1 E176414 [1,0,0,1,0,0|1,0,0]=3 361 B9R1.75 CCOC(=O)CC1CC1 E176712 [1,0,0,1,0,0|0,0,0]=2 362 B9R1.3 CC1CCCC(C1=O)C D154369 [1,0,0,1,0,0|0,0,0]=2 363 B9R1.3 CN1CCCN(C1=O)C D106284 [1,0,0,1,0,0|2,0,0]=4 364 B9R1.5 C1CCC(C(=O)CC1)Cl C153943 [1,0,0,1,0,0|1,0,0]=3 365 B9R1.5 C1CCNC(=O)C(C1)N S135609 [1,0,0,1,0,0|2,0,0]=4 366 B9R1.5 C1CCNC(=O)C(C1)N S588137 [1,0,0,1,0,0|2,0,0]=4 367 B9R1.5 CN1CCCCCC1=O N159776 [1,0,0,1,0,0|1,0,0]=3 368 B9R1.11 C1CCN(C1)C(=O)CBr B405233 [1,0,0,1,0,0|2,0,0]=4 369 B9R1.11 C1CCN(C1)C(=O)CCl C153598 [1,0,0,1,0,0|2,0,0]=4 370 B9R1.11 COC(=O)C1=CCCC1 M135404 [1,0,0,1,0,0|0,0,2]=4 371 B9R1.11 COC(=O)C1CC=CC1 M135200 [1,0,0,1,0,0|0,0,2]=4 372 B9R1.11 COC(=O)C1CCCC1 M158004 [1,0,0,1,0,0|0,0,0]=2 373 B9R1.11 COC(=O)C1CCCN1 P107637 [1,0,0,1,0,0|1,0,0]=3 374 B9R1.11 COC(=O)C1CCCN1 P109007 [1,0,0,1,0,0|1,0,0]=3 375 B9R1.11 COC(=O)C1CCCO1 M158460 [1,0,0,1,0,0|1,0,0]=3 376 B9R1.11 COC(=O)C1CCNC1 M172004 [1,0,0,1,0,0|1,0,0]=3 377 B9R1.11 COC(=O)C1CCNC1 M177835 [1,0,0,1,0,0|1,0,0]=3 378 B9R1.11 COC(=O)C1CCOC1 M176720 [1,0,0,1,0,0|1,0,0]=3 379 B9R1.11 COC(=O)C1NCCS1 M169641 [1,0,0,1,0,0|2,0,0]=4 380 B9R1.37 CC1CC(=O)C(=O)C1C D102535 [1,0,0,1,0,0|1,0,1]=4 381 B9R1.37 CC1CC(C(=O)C1=O)C C304687 [1,0,0,1,0,0|1,0,1]=4 382 B9R1.37 CC1CC(C(=O)C1=O)C D137771 [1,0,0,1,0,0|1,0,1]=4 383 B9R1.74 CCOC(=O)C1(CC1)C E420054 [1,0,0,1,0,0|0,0,0]=2 384 B9R1.74 CCOC(=O)C1(CC1)N E138829 [1,0,0,1,0,0|1,0,0]=3 385 B9R1.82 COC(=O)C1CC(=O)C1 M589916 [1,0,0,1,0,0|1,0,1]=4 386 B9R1.82 COC(=O)C1CC(C1)O M176607 [1,0,0,1,0,0|1,0,0]=3 387 B9R1.82 COC(=O)C1CC(C1)O M176998 [1,0,0,1,0,0|1,0,0]=3 388 B9R1.82 COC(=O)C1CC(C1)O M176999 [1,0,0,1,0,0|1,0,0]=3 389 B9R1.186 COC(=O)C1(CCC1)N A182810 [1,0,0,1,0,0|1,0,0]=3 390 B11R1.30 CCOC(=O)CC1CCCO1 E156287 [0,0,0,1,0,1|1,0,0]=3 391 B11R1.30 CCOC(=O)CC1CCNC1 E194775 [0,0,0,1,0,1|1,0,0]=3 392 B11R1.30 CCOC(=O)CC1CCNC1 E586999 [0,0,0,1,0,1|1,0,0]=3 393 B11R1.34 CCCC1CC(=CC(=O)C1)C C347469 [0,0,0,1,0,1|1,0,1]=4 394 B11R1.199 CCOC(=O)C1CCCC1=O E100850 [0,0,0,1,0,1|1,0,1]=4 395 B11R1.199 CCOC(=O)C1CCCC1N C348568 [0,0,0,1,0,1|1,0,0]=3 396 B11R1.334 CCOC(=O)CC(=O)C1CC1 C124095 [0,0,0,1,0,1|1,0,1]=4 397 B11R1.15 CCOC(=O)C1CCC(=O)N1 E133568 [0,1,0,1,0,0|1,0,1]=4 398 B11R1.15 CCOC(=O)C1CCC(=O)N1 E472587 [0,1,0,1,0,0|1,0,1]=4 399 B11R1.15 CCOC(=O)N1CCC(=O)C1 E174345 [0,1,0,1,0,0|1,0,1]=4 400 B11R1.16 CCOC(=O)C1CCCCN1 E156317 [0,1,0,1,0,0|0,0,0]=2 401 B11R1.16 CCOC(=O)C1CCCCN1 E346330 [0,1,0,1,0,0|0,0,0]=2 402 B11R1.16 CCOC(=O)C1CCCNC1 E119066 [0,1,0,1,0,0|0,0,0]=2 403 B11R1.16 CCOC(=O)C1CCCNC1 E119068 [0,1,0,1,0,0|0,0,0]=2 404 B11R1.16 CCOC(=O)C1CCCNC1 E119072 [0,1,0,1,0,0|0,0,0]=2 405 B11R1.16 CCOC(=O)C1CCCNC1 E135904 [0,1,0,1,0,0|0,0,0]=2 406 B11R1.16 CCOC(=O)C1CCCNC1 N128609 [0,1,0,1,0,0|0,0,0]=2 407 B11R1.16 CCOC(=O)C1CCNCC1 E123578 [0,1,0,1,0,0|0,0,0]=2 408 B11R1.16 CCOC(=O)C1CCNCC1 E174323 [0,1,0,1,0,0|0,0,0]=2 409 B11R1.16 CCOC(=O)C1SCCCS1 E156414 [0,1,0,1,0,0|1,0,0]=3 410 B11R1.16 CCOC(=O)N1CCCCC1 E134679 [0,1,0,1,0,0|1,0,0]=3 411 B11R1.16 CCOC(=O)N1CCNCC1 E131861 [0,1,0,1,0,0|1,0,0]=3 412 B11R1.16 CCOC(=O)N1CCOCC1 E469564 [0,1,0,1,0,0|1,0,0]=3 413 B11R1.230 CCCCC1CC(=O)OC1=O B151973 [0,1,0,1,0,0|1,0,1]=4 414 B11R1.222 CCC(C)C1CCCCC1=O S161424 [0,1,0,1,0,0|1,0,0]=3 415 B11R2.202 C1CC2C(C1)C(=O)OC2=O I169885 [0,0,0,2,0,0|1,0,1]=4