0 B9R1.3 CC1C(=O)CCCC1=O M158810 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.3 CC1CCCC(C1=O)C D154369 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.3 CC1CCCC(C1C)O D155904 [0,0,0,0,0,0|1,0,3]=4 3 B9R1.3 CN1CCCN(C1=O)C D106284 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.4 C1CC(=CC(=O)C1)N A136183 [1,0,0,0,0,0|1,0,1]=3 5 B8R1.4 C1CC(=O)CC(=O)C1 C106972 [1,0,0,0,0,0|1,0,2]=4 6 B8R1.4 C1CC(=O)NC(=O)C1 G156850 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.4 C1CC(=O)OC(=O)C1 G111073 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.4 C1CC(=O)OC(=O)C1 G111074 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.4 C1CNC(=O)CC1N A174477 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.4 C1CNC(=O)CC1O H193522 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.4 CC1=CC(=O)CCC1 M104499 [1,0,0,0,0,0|0,0,1]=2 12 B8R1.4 CC1=CC(CCC1)O M168575 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.4 CC1CC(=O)CCO1 M172463 [1,0,0,0,0,0|1,0,1]=3 14 B8R1.4 CC1CCCC(=O)C1 M117710 [1,0,0,0,0,0|0,0,1]=2 15 B8R1.4 CC1CCCC(=O)C1 R472235 [1,0,0,0,0,0|0,0,1]=2 16 B8R1.4 CC1CCCC(=O)O1 D155361 [1,0,0,0,0,0|1,0,0]=2 17 B8R1.4 CC1CCCC(C1)C C153348 [1,0,0,0,0,0|1,0,2]=4 18 B8R1.4 CC1CCCC(C1)C D155810 [1,0,0,0,0,0|1,0,2]=4 19 B8R1.4 CC1CCCC(C1)N M139174 [1,0,0,0,0,0|1,0,2]=4 20 B8R1.4 CC1CCCC(C1)O M106721 [1,0,0,0,0,0|0,0,3]=4 21 B8R1.4 CC1CCCC(N1)C C153870 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.4 CC1CCCC(N1)C D184826 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.4 CC1CCOS(=O)O1 M120341 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.4 CC1COCC(=O)N1 S586561 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.5 C1CC(C(=O)NC1)Br B588801 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.5 C1CC(C(=O)NC1)N A121540 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.5 C1CC(C(=O)NC1)N A121541 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.5 C1CC(C(=O)NC1)N A181382 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.5 C1CC(C(=O)NC1)N I170302 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.5 C1CC(C(=O)NC1)O H191839 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.5 C1CCC(=O)C(=O)C1 C123365 [1,0,0,0,0,0|0,0,0]=1 32 B8R1.5 C1CCC(=O)C(C1)Br B131549 [1,0,0,0,0,0|1,0,1]=3 33 B8R1.5 C1CCC(=O)C(C1)Cl C103549 [1,0,0,0,0,0|1,0,1]=3 34 B8R1.5 C1CCC(=O)C(C1)O H133366 [1,0,0,0,0,0|0,0,2]=3 35 B8R1.5 C1COCC(C1=O)F F176973 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.5 CC1=NCCCN1C D184491 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.5 CC1C(=O)NCCN1 M168916 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.5 CC1C(=O)NCCN1 R195856 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.5 CC1CCCCC1=O M100791 [1,0,0,0,0,0|0,0,1]=2 40 B8R1.5 CC1CCCCC1C D155823 [1,0,0,0,0,0|1,0,2]=4 41 B8R1.5 CC1CCCCC1N M102224 [1,0,0,0,0,0|1,0,2]=4 42 B8R1.5 CC1CCCCC1O C153331 [1,0,0,0,0,0|0,0,3]=4 43 B8R1.5 CC1CCCCC1O M157932 [1,0,0,0,0,0|0,0,3]=4 44 B8R1.5 CC1CNCCC1=O M589544 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.5 CN1CCCCC1=O N335945 [1,0,0,0,0,0|1,0,1]=3 46 B8R1.5 CN1CCCNC1=O M493197 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.2 CCN1CCNC(=O)C1=O E135210 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.114 CC1(C(CCCC1=O)O)C S161361 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.2 CC(C)C(=O)N(C)OC N172116 [0,0,1,0,0,0|3,0,0]=4 50 B8R0.2 CC(C)C(C(=O)OC)N D133919 [0,0,1,0,0,0|2,0,1]=4 51 B8R0.2 CC(C)C(C(=O)OC)N V105985 [0,0,1,0,0,0|2,0,1]=4 52 B8R0.2 CC(C)C(C(=O)OC)N V117182 [0,0,1,0,0,0|2,0,1]=4 53 B8R0.2 CCC(C)C(=O)C(=O)O M158380 [0,0,1,0,0,0|1,0,0]=2 54 B8R0.2 CCC(C)C(=O)C(=O)[O-] C154025 [0,0,1,0,0,0|1,0,0]=2 55 B8R0.2 CCC(C)C(C(=O)N)N I110996 [0,0,1,0,0,0|2,0,1]=4 56 B8R0.2 CCC(C)C(C(=O)O)N D465658 [0,0,1,0,0,0|2,0,1]=4 57 B8R0.2 CCC(C)C(C(=O)O)N I103488 [0,0,1,0,0,0|2,0,1]=4 58 B8R0.2 CCC(C)C(C(=O)O)N I105431 [0,0,1,0,0,0|2,0,1]=4 59 B8R0.2 CCC(C)C(C(=O)O)N I113733 [0,0,1,0,0,0|2,0,1]=4 60 B8R0.2 CCC(C)C(C(=O)O)N I113995 [0,0,1,0,0,0|2,0,1]=4 61 B8R0.2 CCC(C)C(C(=O)O)N I115775 [0,0,1,0,0,0|2,0,1]=4 62 B8R0.2 CCC(C)C(C(=O)O)N I117745 [0,0,1,0,0,0|2,0,1]=4 63 B8R0.2 CCC(C)C(C(=O)O)N L425728 [0,0,1,0,0,0|2,0,1]=4 64 B8R0.2 CCC(C)C(C(=O)O)O H351180 [0,0,1,0,0,0|1,0,2]=4 65 B8R0.3 CC(COC)C(=O)OC M157985 [0,0,1,0,0,0|3,0,0]=4 66 B8R0.3 CCC(C(=O)OCC)Br E110204 [0,0,1,0,0,0|2,0,1]=4 67 B8R0.3 CCC(C(=O)OCC)N E185185 [0,0,1,0,0,0|2,0,1]=4 68 B8R0.3 CCC(C(=O)OCC)O E156260 [0,0,1,0,0,0|1,0,2]=4 69 B8R0.3 CCC(C)C(=O)OCC E117676 [0,0,1,0,0,0|2,0,1]=4 70 B8R0.3 CCCC(=O)C(C)CC M158867 [0,0,1,0,0,0|1,0,1]=3 71 B8R0.3 CCCC(=O)N(C)OC N404707 [0,0,1,0,0,0|3,0,0]=4 72 B8R0.3 CCCC(C(=O)NO)N B300173 [0,0,1,0,0,0|2,0,1]=4 73 B8R0.3 CCCC(C)C(=O)OC B300583 [0,0,1,0,0,0|2,0,0]=3 74 B8R0.3 CCOC(=O)C(=C)CBr E124201 [0,0,1,0,0,0|3,0,0]=4 75 B8R0.3 CCOC(=O)C(=C)CO E156133 [0,0,1,0,0,0|3,0,0]=4 76 B8R0.3 CCOC(=O)C(=CC)C E117529 [0,0,1,0,0,0|2,0,1]=4 77 B8R0.3 CCOC(=O)C(=O)CBr E111180 [0,0,1,0,0,0|2,0,0]=3 78 B8R0.6 CCCCCC(=O)C=C O160047 [0,0,1,0,0,0|1,0,0]=2 79 B8R0.6 CCCCCC(=O)CC O106928 [0,0,1,0,0,0|1,0,1]=3 80 B8R0.6 CCCCCC(=O)CC O106929 [0,0,1,0,0,0|1,0,1]=3 81 B8R0.6 CCCCCC(=O)OC M112312 [0,0,1,0,0,0|2,0,0]=3 82 B8R0.6 CCCCCC(=O)OC M112313 [0,0,1,0,0,0|2,0,0]=3 83 B8R0.6 CCCCCC(=O)OC M112314 [0,0,1,0,0,0|2,0,0]=3 84 B8R0.6 CCCCCC(C=C)O O102968 [0,0,1,0,0,0|1,0,2]=4 85 B8R0.6 CCCCCC(C=C)O S463982 [0,0,1,0,0,0|1,0,2]=4 86 B8R0.6 CCCCCN(C)N=O N347915 [0,0,1,0,0,0|3,0,0]=4 87 B8R0.6 CCCCNC(=O)C=C N405436 [0,0,1,0,0,0|2,0,0]=3 88 B8R0.6 CCCCNC(=O)CCl N193799 [0,0,1,0,0,0|2,0,1]=4 89 B8R0.6 CCCCOC(=O)C=C B100034 [0,0,1,0,0,0|2,0,0]=3 90 B8R0.6 CCCCOC(=O)C=C B100035 [0,0,1,0,0,0|2,0,0]=3 91 B8R0.6 CCCCOC(=O)C=C B100036 [0,0,1,0,0,0|2,0,0]=3 92 B8R0.6 CCCCOC(=O)C=C B100037 [0,0,1,0,0,0|2,0,0]=3 93 B8R0.6 CCCCOC(=O)CC B152863 [0,0,1,0,0,0|2,0,1]=4 94 B8R0.6 CCCCOC(=O)CCl B152888 [0,0,1,0,0,0|2,0,1]=4 95 B8R0.6 CCCCOC(=O)CO B134012 [0,0,1,0,0,0|1,0,2]=4 96 B8R0.6 CCCCOC(=O)CO B493056 [0,0,1,0,0,0|1,0,2]=4 97 B8R0.6 CCCCOC(=O)CS B152740 [0,0,1,0,0,0|1,1,1]=4 98 B8R0.6 COC(=O)CCCCBr M157983 [0,0,1,0,0,0|3,0,0]=4 99 B8R0.6 COC(=O)CCCCCl M167259 [0,0,1,0,0,0|3,0,0]=4 100 B8R0.6 COCCOC(=O)C=C E102687 [0,0,1,0,0,0|3,0,0]=4 101 B8R0.6 COCCOC(=O)C=C P133111 [0,0,1,0,0,0|3,0,0]=4 102 B8R0.6 COCCOC(=O)C=C P133370 [0,0,1,0,0,0|3,0,0]=4 103 B8R0.6 COCCOC(=O)C=C P136232 [0,0,1,0,0,0|3,0,0]=4 104 B10R2.25 C=C1C2CCC(C2)C1=O M158868 [0,0,0,1,0,0|1,0,0]=2 105 B8R1.50 CC1=C(C(=O)CC1)Br B472647 [0,0,0,0,1,0|1,0,1]=3 106 B8R1.50 CC1=C(C(=O)CC1)O H139285 [0,0,0,0,1,0|0,0,2]=3 107 B8R1.50 CC1=C(C(=O)CO1)O H120034 [0,0,0,0,1,0|1,0,2]=4 108 B8R1.50 CC1CCC(=O)C1=O M109224 [0,0,0,0,1,0|0,0,0]=1 109 B8R1.50 CC1CCC(=O)N1C D467310 [0,0,0,0,1,0|2,0,0]=3 110 B8R1.50 CN1C(CCC1=O)O H351403 [0,0,0,0,1,0|3,0,0]=4 111 B8R1.50 CN1CCN(C1=O)C D109179 [0,0,0,0,1,0|3,0,0]=4 112 B8R1.50 CN1CCN(C1=O)C D109180 [0,0,0,0,1,0|3,0,0]=4 113 B8R1.50 CN1CCN(C1=O)C D131598 [0,0,0,0,1,0|3,0,0]=4 114 B7R0.2 CC(=CC(=O)OC)C M102001 [1,0,1,0,0,0|1,0,1]=4 115 B7R0.2 CC(C)CC(=O)OC M157988 [1,0,1,0,0,0|1,0,1]=4 116 B7R0.2 CC(C)NC(=O)CBr B194928 [1,0,1,0,0,0|2,0,0]=4 117 B7R0.2 CC(C)OC(=O)CCl I157694 [1,0,1,0,0,0|2,0,0]=4 118 B7R0.2 CCC(=O)CC(C)C E156458 [1,0,1,0,0,0|0,0,1]=3 119 B7R0.2 CCC(=O)OC(C)C I157496 [1,0,1,0,0,0|1,0,0]=3 120 B7R0.2 CCC(C)CC(=O)O M109883 [1,0,1,0,0,0|1,0,1]=4 121 B7R0.2 CCC(C)OC(=O)C B108576 [1,0,1,0,0,0|1,0,0]=3 122 B7R0.2 CCC(C)OC(=O)C B108578 [1,0,1,0,0,0|1,0,0]=3 123 B7R0.2 CCC(C)OC(=O)Cl S189048 [1,0,1,0,0,0|2,0,0]=4 124 B7R0.5 CCCC(=O)C(=O)C H106696 [1,0,1,0,0,0|0,0,0]=2 125 B7R0.5 CCCC(=O)C(=O)O O159954 [1,0,1,0,0,0|1,0,0]=3 126 B7R0.5 CCCC(C(=O)O)Br B152768 [1,0,1,0,0,0|1,0,1]=4 127 B7R0.5 CCCC(C(=O)O)N N100542 [1,0,1,0,0,0|1,0,1]=4 128 B7R0.5 CCCC(C(=O)O)N N106191 [1,0,1,0,0,0|1,0,1]=4 129 B7R0.5 CCCC(C(=O)O)N N106215 [1,0,1,0,0,0|1,0,1]=4 130 B7R0.5 CCCC(C(=O)O)O S193305 [1,0,1,0,0,0|1,0,1]=4 131 B7R0.5 CCCC(C(=O)[O-])O B301319 [1,0,1,0,0,0|1,0,1]=4 132 B7R0.5 CCCC(C)C(=O)C M158798 [1,0,1,0,0,0|0,0,1]=3 133 B7R0.5 CCCC(C)C(=O)O B300596 [1,0,1,0,0,0|0,0,1]=3 134 B7R0.5 CCCC(C)C(=O)O M117868 [1,0,1,0,0,0|0,0,1]=3 135 B7R0.5 CCCC(C)C(=O)O M427193 [1,0,1,0,0,0|0,0,1]=3 136 B7R0.5 CCOC(=O)C(=C)C E103001 [1,0,1,0,0,0|2,0,0]=4 137 B7R0.5 CCOC(=O)C(=C)C E103002 [1,0,1,0,0,0|2,0,0]=4 138 B7R0.5 CCOC(=O)C(=C)C E492609 [1,0,1,0,0,0|2,0,0]=4 139 B7R0.5 CCOC(=O)C(=O)C E113332 [1,0,1,0,0,0|1,0,0]=3 140 B7R0.5 CCOC(=O)C(=O)Cl E109372 [1,0,1,0,0,0|2,0,0]=4 141 B7R0.5 CCOC(=O)C(=O)N E156399 [1,0,1,0,0,0|2,0,0]=4 142 B7R0.5 CCOC(=O)C(=O)[O-] E156500 [1,0,1,0,0,0|2,0,0]=4 143 B7R0.5 CCOC(=O)C(C)Br E106089 [1,0,1,0,0,0|2,0,0]=4 144 B7R0.5 CCOC(=O)C(C)Br E400066 [1,0,1,0,0,0|2,0,0]=4 145 B7R0.5 CCOC(=O)C(C)C E156123 [1,0,1,0,0,0|1,0,0]=3 146 B7R0.5 CCOC(=O)C(C)Cl E100647 [1,0,1,0,0,0|2,0,0]=4 147 B7R0.5 CCOC(=O)C(C)F E135615 [1,0,1,0,0,0|2,0,0]=4 148 B7R0.5 CCOC(=O)C(C)I E156364 [1,0,1,0,0,0|2,0,0]=4 149 B7R0.5 CCOC(=O)C(C)N A109010 [1,0,1,0,0,0|2,0,0]=4 150 B7R0.5 CCOC(=O)C(C)N A117183 [1,0,1,0,0,0|2,0,0]=4 151 B7R0.5 CCOC(=O)C(C)N D304158 [1,0,1,0,0,0|2,0,0]=4 152 B7R0.5 CCOC(=O)C(C)O E104551 [1,0,1,0,0,0|2,0,0]=4 153 B7R0.5 CCOC(=O)C(C)O E104553 [1,0,1,0,0,0|2,0,0]=4 154 B7R0.5 CCOC(=O)C(C)O E104554 [1,0,1,0,0,0|2,0,0]=4 155 B7R0.5 CCOC(=O)C(C)O E108228 [1,0,1,0,0,0|2,0,0]=4 156 B7R0.5 CCOC(=O)C(C)O E108230 [1,0,1,0,0,0|2,0,0]=4 157 B7R0.5 CCOC(=O)C(C)O E465744 [1,0,1,0,0,0|2,0,0]=4 158 B7R0.5 CCOC(=O)C(C)S E156189 [1,0,1,0,0,0|2,0,0]=4 159 B7R0.5 CCSC(C)C(=O)O E168418 [1,0,1,0,0,0|1,0,1]=4 160 B7R0.10 C(C(=O)C(=O)CBr)Br D171251 [1,0,1,0,0,0|2,0,0]=4 161 B7R0.10 CC(C(=O)OC)NC S587983 [1,0,1,0,0,0|2,0,0]=4 162 B7R0.10 CC(CBr)C(=O)OC M158847 [1,0,1,0,0,0|2,0,0]=4 163 B7R0.10 CC(CBr)C(=O)OC M409449 [1,0,1,0,0,0|2,0,0]=4 164 B7R0.10 CC(CO)C(=O)OC M589106 [1,0,1,0,0,0|2,0,0]=4 165 B7R0.10 CC(CO)C(=O)OC R136025 [1,0,1,0,0,0|2,0,0]=4 166 B7R0.10 CC(CO)C(=O)OC S133601 [1,0,1,0,0,0|2,0,0]=4 167 B7R0.10 CCC(=O)C(=O)CC H102539 [1,0,1,0,0,0|0,0,0]=2 168 B7R0.10 CCC(C(=O)CC)O P121219 [1,0,1,0,0,0|0,0,2]=4 169 B7R0.10 CCC(C(=O)OC)Br M110203 [1,0,1,0,0,0|2,0,0]=4 170 B7R0.10 CCC(C(=O)OC)N D134538 [1,0,1,0,0,0|2,0,0]=4 171 B7R0.10 CCC(C(=O)OC)N S304011 [1,0,1,0,0,0|2,0,0]=4 172 B7R0.10 CCC(C(=O)OC)O M588620 [1,0,1,0,0,0|2,0,0]=4 173 B7R0.10 CCC(C(=O)OC)O M590030 [1,0,1,0,0,0|2,0,0]=4 174 B7R0.10 CCC(C(=O)OC)O R590029 [1,0,1,0,0,0|2,0,0]=4 175 B7R0.10 CCC(C)C(=O)OC M157989 [1,0,1,0,0,0|1,0,0]=3 176 B7R0.10 CNC(=O)C(=O)NC I171177 [1,0,1,0,0,0|2,0,0]=4 177 B7R0.10 COC(=O)C(=O)CBr M572938 [1,0,1,0,0,0|2,0,0]=4 178 B7R0.10 COC(=O)C(=O)OC D103008 [1,0,1,0,0,0|2,0,0]=4 179 B7R0.10 COC(=O)C(=O)OC D103009 [1,0,1,0,0,0|2,0,0]=4 180 B7R0.16 CC(C)C(=O)C(=O)O M194936 [1,0,1,0,0,0|1,0,0]=3 181 B7R0.16 CC(C)C(=O)C(=O)O M425860 [1,0,1,0,0,0|1,0,0]=3 182 B7R0.16 CC(C)C(=O)C(=O)[O-] C405686 [1,0,1,0,0,0|1,0,0]=3 183 B7R0.16 CC(C)C(=O)C(=O)[O-] K474034 [1,0,1,0,0,0|1,0,0]=3 184 B7R0.16 CC(C)C(=O)C(=O)[O-] S169975 [1,0,1,0,0,0|1,0,0]=3 185 B7R0.16 CC(C)C(=O)C(C)C D111802 [1,0,1,0,0,0|1,0,1]=4 186 B7R0.16 CC(C)C(=O)N(C)C N159316 [1,0,1,0,0,0|2,0,0]=4 187 B7R0.3 CCC(=O)NCCO N158966 [1,0,1,0,0,0|2,0,0]=4 188 B7R0.3 CCCCC(=C)CC E156236 [1,0,1,0,0,0|1,0,1]=4 189 B7R0.3 CCCCC(=O)CC H103766 [1,0,1,0,0,0|0,0,1]=3 190 B7R0.3 CCCCC(=O)NN P135113 [1,0,1,0,0,0|2,0,0]=4 191 B7R0.3 CCCCC(=O)OC M108213 [1,0,1,0,0,0|1,0,1]=4 192 B7R0.3 CCCCC(=O)OC M108214 [1,0,1,0,0,0|1,0,1]=4 193 B7R0.3 CCCNC(=O)C=C N404954 [1,0,1,0,0,0|2,0,0]=4 194 B7R0.3 CCCOC(=O)CC P111531 [1,0,1,0,0,0|1,0,0]=3 195 B7R0.3 CCCOC(=O)CC P111532 [1,0,1,0,0,0|1,0,0]=3 196 B7R0.7 CCCC(=O)CCC H103840 [1,0,1,0,0,0|0,0,1]=3 197 B7R0.7 CCCC(=O)CCC H103841 [1,0,1,0,0,0|0,0,1]=3 198 B7R0.7 CCCC(=O)OCC E101116 [1,0,1,0,0,0|1,0,0]=3 199 B7R0.7 CCCC(=O)OCC E101117 [1,0,1,0,0,0|1,0,0]=3 200 B7R0.7 CCCC(=O)OCC E101119 [1,0,1,0,0,0|1,0,0]=3 201 B7R0.7 CCCC(=O)OCCl C153957 [1,0,1,0,0,0|2,0,0]=4 202 B7R0.7 CCNC(=O)NCC D108032 [1,0,1,0,0,0|2,0,0]=4 203 B7R0.7 CCOC(=O)C=CC E156252 [1,0,1,0,0,0|1,0,1]=4 204 B7R0.7 CCOC(=O)CCBr E106956 [1,0,1,0,0,0|2,0,0]=4 205 B7R0.7 CCOC(=O)CCCl E100652 [1,0,1,0,0,0|2,0,0]=4 206 B7R0.7 CCOC(=O)CCI E185756 [1,0,1,0,0,0|2,0,0]=4 207 B7R0.7 CCOC(=O)CCN A100434 [1,0,1,0,0,0|2,0,0]=4 208 B7R0.7 CCOC(=O)CCO E185621 [1,0,1,0,0,0|2,0,0]=4 209 B7R0.7 CCOC(=O)CCS E119585 [1,0,1,0,0,0|2,0,0]=4 210 B7R0.7 CCOC(=O)CC[CH2-] E465885 [1,0,1,0,0,0|1,0,1]=4 211 B7R0.7 CCOC(=O)CNC E115901 [1,0,1,0,0,0|2,0,0]=4 212 B7R0.7 CCOC(=O)COC E136304 [1,0,1,0,0,0|2,0,0]=4 213 B7R0.7 CCOC(=O)CSC E156475 [1,0,1,0,0,0|2,0,0]=4 214 B7R0.7 CCOC(=O)OCC D103040 [1,0,1,0,0,0|2,0,0]=4 215 B7R0.1 C(CCC=O)CC=O A302164 [1,0,1,0,0,0|0,0,0]=2 216 B7R0.1 C=CCCCCC=C O159998 [1,0,1,0,0,0|2,0,0]=4 217 B7R0.1 CCCCC=CC=O T161484 [1,0,1,0,0,0|0,0,1]=3 218 B7R0.1 CCCCCC=CC C153583 [1,0,1,0,0,0|1,0,0]=3 219 B7R0.1 CCCCCC=CC O159996 [1,0,1,0,0,0|1,0,0]=3 220 B7R0.1 CCCCCC=CC T161814 [1,0,1,0,0,0|1,0,0]=3 221 B7R0.1 CCCCCCC=C O108659 [1,0,1,0,0,0|1,0,1]=4 222 B7R0.1 CCCCCCC=C O108660 [1,0,1,0,0,0|1,0,1]=4 223 B7R0.1 CCCCCCC=O H105934 [1,0,1,0,0,0|0,0,1]=3 224 B7R0.1 CCCCCCC=O H105935 [1,0,1,0,0,0|0,0,1]=3 225 B7R0.1 CCCCCN=C=O P352487 [1,0,1,0,0,0|1,0,1]=4 226 B7R0.1 CCCCCOC=O A151451 [1,0,1,0,0,0|1,0,0]=3 227 B7R0.1 CCCCCON=O A151126 [1,0,1,0,0,0|2,0,0]=4 228 B7R0.4 C(CCBr)CC(=O)Cl B138857 [1,0,1,0,0,0|2,0,0]=4 229 B7R0.4 C(CCBr)CC(=O)O B106966 [1,0,1,0,0,0|1,0,1]=4 230 B7R0.4 C(CCCl)CC(=O)Cl C102473 [1,0,1,0,0,0|2,0,0]=4 231 B7R0.4 C(CCCl)CC(=O)O C153468 [1,0,1,0,0,0|1,0,1]=4 232 B7R0.4 C(CCN)CC(=O)O A107493 [1,0,1,0,0,0|1,0,1]=4 233 B7R0.4 C(CCN)CC(=O)O A151151 [1,0,1,0,0,0|1,0,1]=4 234 B7R0.4 C(CCN)CC(=O)O A151349 [1,0,1,0,0,0|1,0,1]=4 235 B7R0.4 C(CCN)CC(=O)O A491891 [1,0,1,0,0,0|1,0,1]=4 236 B7R0.4 C(CCN)CC(=O)O A491894 [1,0,1,0,0,0|1,0,1]=4 237 B7R0.4 C(CCO)CC(=O)[O-] H184096 [1,0,1,0,0,0|1,0,1]=4 238 B7R0.4 CC(=O)CCCCCl C108058 [1,0,1,0,0,0|1,0,1]=4 239 B7R0.4 CC(C)CCOC=O I117534 [1,0,1,0,0,0|1,0,1]=4 240 B7R0.4 CC(C)CCOC=O I137773 [1,0,1,0,0,0|1,0,1]=4 241 B7R0.4 CCCCCC(=C)C M158504 [1,0,1,0,0,0|1,0,0]=3 242 B7R0.4 CCCCCC(=O)C H103803 [1,0,1,0,0,0|0,0,1]=3 243 B7R0.4 CCCCCC(=O)C H103827 [1,0,1,0,0,0|0,0,1]=3 244 B7R0.4 CCCCCC(=O)Cl H102419 [1,0,1,0,0,0|1,0,0]=3 245 B7R0.4 CCCCCC(=O)Cl H130076 [1,0,1,0,0,0|1,0,0]=3 246 B7R0.4 CCCCCC(=O)N H157108 [1,0,1,0,0,0|1,0,0]=3 247 B7R0.4 CCCCCC(=O)O H103630 [1,0,1,0,0,0|0,0,1]=3 248 B7R0.4 CCCCCC(=O)O H103631 [1,0,1,0,0,0|0,0,1]=3 249 B7R0.4 CCCCCC(=O)O H103632 [1,0,1,0,0,0|0,0,1]=3 250 B7R0.4 CCCCCC(=O)O H278778 [1,0,1,0,0,0|0,0,1]=3 251 B7R0.4 CCCCCC(=O)O H432079 [1,0,1,0,0,0|0,0,1]=3 252 B7R0.4 CCCCCC(=O)[O-] S161313 [1,0,1,0,0,0|0,0,1]=3 253 B7R0.4 CCCCNC(=O)N B152704 [1,0,1,0,0,0|2,0,0]=4 254 B7R0.4 CCCCOC(=O)C B116224 [1,0,1,0,0,0|1,0,1]=4 255 B7R0.4 CCCCOC(=O)C B116225 [1,0,1,0,0,0|1,0,1]=4 256 B7R0.4 CCCCOC(=O)C B116227 [1,0,1,0,0,0|1,0,1]=4 257 B7R0.4 CCCCOC(=O)C B116228 [1,0,1,0,0,0|1,0,1]=4 258 B7R0.4 CCCCOC(=O)C B119685 [1,0,1,0,0,0|1,0,1]=4 259 B7R0.4 CCCCOC(=O)N B152422 [1,0,1,0,0,0|2,0,0]=4 260 B7R0.4 CCOCCC(=O)C E156453 [1,0,1,0,0,0|1,0,1]=4 261 B7R0.4 CCOCCC(=O)O E156172 [1,0,1,0,0,0|1,0,1]=4 262 B7R0.4 CNCCCC(=O)O M276212 [1,0,1,0,0,0|1,0,1]=4 263 B7R0.4 CNCCCC(=O)O M397624 [1,0,1,0,0,0|1,0,1]=4 264 B7R0.4 COCCCC(=O)O M192558 [1,0,1,0,0,0|1,0,1]=4 265 B7R0.4 [CH]CCCCC(=O)[N] P111447 [1,0,1,0,0,0|1,0,1]=4 266 B7R0.4 [CH]CCCCC(=O)[N] P128923 [1,0,1,0,0,0|1,0,1]=4 267 B7R1.3 C1CC(=O)CNC1 P301951 [2,0,0,0,0,0|1,0,1]=4 268 B7R1.3 C1CC(=O)COC1 O175840 [2,0,0,0,0,0|1,0,1]=4 269 B7R1.3 C1CC=CC(C1)Br B152008 [2,0,0,0,0,0|1,0,0]=3 270 B7R1.3 C1CC=CC(C1)O C137053 [2,0,0,0,0,0|1,0,0]=3 271 B7R1.3 C1CCC(=O)CC1 C116449 [2,0,0,0,0,0|0,0,1]=3 272 B7R1.3 C1CCC(=O)CC1 C116451 [2,0,0,0,0,0|0,0,1]=3 273 B7R1.3 C1CCC(=O)CC1 C116453 [2,0,0,0,0,0|0,0,1]=3 274 B7R1.3 C1CCC(=O)CC1 C116454 [2,0,0,0,0,0|0,0,1]=3 275 B7R1.3 C1CCC(=O)CC1 C295202 [2,0,0,0,0,0|0,0,1]=3 276 B7R1.3 C1CCC(=O)CC1 C471914 [2,0,0,0,0,0|0,0,1]=3 277 B7R1.3 C1CCC(=O)CC1 C615386 [2,0,0,0,0,0|0,0,1]=3 278 B7R1.3 C1CCNC(=O)C1 P160613 [2,0,0,0,0,0|1,0,0]=3 279 B7R1.3 C1CCOC(=O)C1 V100560 [2,0,0,0,0,0|1,0,0]=3 280 B7R1.3 C1CNC(=O)CN1 P135012 [2,0,0,0,0,0|2,0,0]=4 281 B7R1.3 C1CNC(=O)NC1 T162348 [2,0,0,0,0,0|2,0,0]=4 282 B7R1.3 C1CNC(=O)OC1 O170792 [2,0,0,0,0,0|2,0,0]=4 283 B7R1.3 C1COC(=O)C=C1 D155403 [2,0,0,0,0,0|1,0,1]=4 284 B7R1.3 C1COC(=O)CO1 D122246 [2,0,0,0,0,0|2,0,0]=4 285 B7R1.3 C1COC(=O)OC1 D155394 [2,0,0,0,0,0|2,0,0]=4 286 B7R1.3 C1COCC(=O)N1 M157861 [2,0,0,0,0,0|2,0,0]=4 287 B7R1.3 C1COCCC1=O T107483 [2,0,0,0,0,0|1,0,1]=4 288 B7R1.3 C1CSCCC1=O T121984 [2,0,0,0,0,0|1,0,1]=4 289 B7R1.3 C=C1CCCCC1 M158229 [2,0,0,0,0,0|1,0,1]=4 290 B7R1.3 CC1=CCCCC1 M158209 [2,0,0,0,0,0|1,0,0]=3 291 B7R1.3 CC1=CCNCC1 M178460 [2,0,0,0,0,0|2,0,0]=4 292 B7R1.3 CC1CCCC=C1 M158227 [2,0,0,0,0,0|0,0,0]=2 293 B7R1.3 CC1CCCCC1 M103329 [2,0,0,0,0,0|0,0,2]=4 294 B7R1.3 CC1CCCCC1 M103330 [2,0,0,0,0,0|0,0,2]=4 295 B7R1.3 CC1CCCCC1 M103331 [2,0,0,0,0,0|0,0,2]=4 296 B7R1.3 CC1CCCCC1 M118385 [2,0,0,0,0,0|0,0,2]=4 297 B7R1.3 CC1CCCCC1 M119670 [2,0,0,0,0,0|0,0,2]=4 298 B7R1.3 CC1CCCCN1 I169537 [2,0,0,0,0,0|1,0,1]=4 299 B7R1.3 CC1CCCCN1 M106737 [2,0,0,0,0,0|1,0,1]=4 300 B7R1.3 CC1CCCNC1 M158771 [2,0,0,0,0,0|1,0,1]=4 301 B7R1.3 CC1CCCNC1 R588230 [2,0,0,0,0,0|1,0,1]=4 302 B7R1.3 CC1CCCNC1 S191141 [2,0,0,0,0,0|1,0,1]=4 303 B9R0.6 CCOC(=O)C(=O)C(C)Br B194008 [0,1,1,0,0,0|1,0,0]=3 304 B9R0.6 CCOC(=O)C(=O)C(C)C E302716 [0,1,1,0,0,0|0,0,0]=2 305 B9R0.6 CCOC(=O)C(=O)N(C)C E167788 [0,1,1,0,0,0|1,0,0]=3 306 B9R0.6 CCOC(=O)C(C(C)C)Br E156152 [0,1,1,0,0,0|1,0,1]=4 307 B9R0.6 CCOC(=O)C(C(C)C)N V117195 [0,1,1,0,0,0|1,0,1]=4 308 B9R0.27 CCC(C)C(C(=O)OC)N I109005 [0,1,1,0,0,0|1,0,1]=4 309 B9R0.27 CCC(C)C(C(=O)OC)N M169087 [0,1,1,0,0,0|1,0,1]=4 310 B9R0.8 CCCOC(=O)C(C)CC P160535 [0,1,1,0,0,0|1,0,1]=4 311 B9R0.23 CC(=O)CC(=O)C(=O)OC M132958 [0,1,1,0,0,0|1,0,1]=4 312 B9R0.35 CCCC(C(=O)CCC)O H101582 [0,1,1,0,0,0|0,0,2]=4 313 B9R0.35 CCCC(C(=O)OCC)Br E139089 [0,1,1,0,0,0|1,0,1]=4 314 B9R0.35 CCCC(C(=O)OCC)N L135831 [0,1,1,0,0,0|1,0,1]=4 315 B9R0.35 CCCC(C)C(=O)OCC E110162 [0,1,1,0,0,0|1,0,1]=4 316 B9R0.35 CCOC(=N)C(=O)OCC E195169 [0,1,1,0,0,0|2,0,0]=4 317 B9R0.35 CCOC(=O)C(=O)OCC D110943 [0,1,1,0,0,0|1,0,0]=3 318 B9R0.35 CCOC(=O)C(=O)OCC D110944 [0,1,1,0,0,0|1,0,0]=3 319 B9R0.35 CCOC(=O)C(=O)OCC D489097 [0,1,1,0,0,0|1,0,0]=3 320 B9R0.1 CC(C)CCOC(=O)C=C I157701 [0,1,1,0,0,0|2,0,0]=4 321 B9R0.1 CC(CCC=C(C)C)C=O M102621 [0,1,1,0,0,0|1,0,1]=4 322 B9R0.5 CCCCCC(=O)CCC N158991 [0,1,1,0,0,0|1,0,1]=4 323 B9R0.5 CCCCCC(=O)OC=C V162949 [0,1,1,0,0,0|1,0,0]=3 324 B9R0.5 CCCCCC(=O)OCC E103497 [0,1,1,0,0,0|1,0,1]=4 325 B9R0.5 CCCCCC(=O)OCC E103498 [0,1,1,0,0,0|1,0,1]=4 326 B9R0.5 CCCCCC(=O)OCC E103499 [0,1,1,0,0,0|1,0,1]=4 327 B9R0.5 CCCCOC(=O)C=CC B152883 [0,1,1,0,0,0|2,0,0]=4 328 B9R0.5 CCCCOC(=O)C=CC B293404 [0,1,1,0,0,0|2,0,0]=4 329 B9R0.46 C=CC(=O)OCCCCO H156908 [0,1,1,0,0,0|2,0,0]=4 330 B9R0.46 CCCCCCC(=O)CC N158994 [0,1,1,0,0,0|1,0,1]=4 331 B9R0.46 CCCCCCC(=O)OC M158054 [0,1,1,0,0,0|2,0,0]=4 332 B9R0.46 CCCCCCC(=O)OC M158149 [0,1,1,0,0,0|2,0,0]=4 333 B9R0.46 CCCCCOC(=O)C=C P588632 [0,1,1,0,0,0|1,0,0]=3 334 B9R0.46 CCCCCOC(=O)CC P137733 [0,1,1,0,0,0|1,0,1]=4 335 B9R0.46 CCOCCOC(=O)C=C E586300 [0,1,1,0,0,0|2,0,0]=4 336 B9R0.46 COC(=O)CCCCCN M138421 [0,1,1,0,0,0|2,0,0]=4 337 B9R0.46 COCCCNC(=O)C=C N477318 [0,1,1,0,0,0|2,0,0]=4 338 B9R0.47 CCCCCC(=O)C(=O)C O589566 [0,1,1,0,0,0|0,0,0]=2 339 B9R0.47 CCCCCC(C(=O)O)N D137428 [0,1,1,0,0,0|1,0,1]=4 340 B9R0.47 CCCCCC(C(=O)O)N S193453 [0,1,1,0,0,0|1,0,1]=4 341 B9R0.47 CCCCCC(C)C(=O)O M102645 [0,1,1,0,0,0|1,0,1]=4 342 B9R0.47 CCCCOC(=O)C(=C)C B110902 [0,1,1,0,0,0|2,0,0]=4 343 B9R0.47 CCCCOC(=O)C(=C)C B110903 [0,1,1,0,0,0|2,0,0]=4 344 B9R0.47 CCCCOC(=O)C(=C)C B110904 [0,1,1,0,0,0|2,0,0]=4 345 B9R1.34 CC1CC(=CC(=O)C1)C D338929 [1,1,0,0,0,0|0,0,1]=3 346 B9R1.34 CC1CC(=O)CC(=O)C1 M158841 [1,1,0,0,0,0|0,0,2]=4 347 B9R1.34 CC1CC(CC(=O)C1)C D138533 [1,1,0,0,0,0|0,0,1]=3 348 B9R1.66 CC1(CCCC(=O)C1)C D138628 [1,1,0,0,0,0|0,0,1]=3 349 B9R1.66 CC1(CCOC(=O)C1)O D304342 [1,1,0,0,0,0|1,0,1]=4 350 B9R1.69 CC1CCC(=O)CC1C D154364 [1,1,0,0,0,0|0,0,1]=3 351 B9R1.69 CC1CCC(C(=O)C1)C D154367 [1,1,0,0,0,0|0,0,1]=3 352 B9R1.15 C1CCC(=O)C(C1)C#N O589158 [1,1,0,0,0,0|0,0,2]=4 353 B9R1.15 COC1CCCCC1=O M158813 [1,1,0,0,0,0|0,0,1]=3 354 B9R1.40 CC1(C(=O)NCCN1)C D175799 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.40 CC1(CCCCC1=O)C D166342 [1,1,0,0,0,0|0,0,1]=3 356 B9R1.37 CC1CC(=O)C(=O)C1C D102535 [0,1,0,0,1,0|0,0,0]=2 357 B9R1.37 CC1CC(C(=O)C1=O)C C304687 [0,1,0,0,1,0|0,0,0]=2 358 B9R1.37 CC1CC(C(=O)C1=O)C D137771 [0,1,0,0,1,0|0,0,0]=2 359 B9R1.132 CCC1=C(C(=O)CC1)O E102537 [0,1,0,0,1,0|0,0,2]=4 360 B9R1.138 CC1(COC(=O)C1=O)C D166887 [0,1,0,0,1,0|1,0,0]=3 361 B11R1.1361 CC1=C(C(=O)CC(C1)(C)C)O H135924 [0,2,0,0,0,0|0,0,2]=4 362 B11R1.1361 CC1CC(CC(=O)C1=O)(C)C T123597 [0,2,0,0,0,0|0,0,0]=2 363 B11R1.424 CC1=C(C(CCC1)(C)C)C=O B136616 [0,2,0,0,0,0|1,0,0]=3 364 B9R1.5 C1CCC(C(=O)CC1)Cl C153943 [0,0,1,1,0,0|1,0,1]=4 365 B9R1.5 CN1CCCCCC1=O N159776 [0,0,1,1,0,0|2,0,0]=4 366 B9R1.11 COC(=O)C1=CCCC1 M135404 [0,0,1,1,0,0|2,0,0]=4 367 B9R1.11 COC(=O)C1CCCC1 M158004 [0,0,1,1,0,0|2,0,0]=4 368 B9R1.1 CCC1CCC(=O)CC1 E115523 [0,0,1,1,0,0|1,0,1]=4 369 B9R1.50 C1CCCC(=O)CCC1 C106984 [0,0,1,1,0,0|1,0,1]=4 370 B9R1.50 C1CCCNC(=O)CC1 O159930 [0,0,1,1,0,0|2,0,0]=4 371 B9R2.39 C1CC2CC1CC2=O N158897 [1,0,0,1,0,0|0,0,1]=3 372 B9R2.109 C1CC2C(O2)C(=O)C1 O342678 [1,0,0,1,0,0|1,0,1]=4 373 B11R2.533 CC1(C2CCC(=O)C1C2)C I170069 [0,1,0,1,0,0|1,0,1]=4 374 B7R1.2 CC1=CC(=O)CC1 M109537 [1,0,0,0,1,0|0,0,1]=3 375 B7R1.2 CC1=CC(=O)OC1 M158202 [1,0,0,0,1,0|1,0,1]=4 376 B7R1.2 CC1CCC(=O)C1 M113659 [1,0,0,0,1,0|0,0,1]=3 377 B7R1.2 CC1CCC(=O)N1 M158429 [1,0,0,0,1,0|1,0,0]=3 378 B7R1.2 CC1CCC(=O)O1 V106294 [1,0,0,0,1,0|1,0,0]=3 379 B7R1.2 CC1COC(=O)O1 P105723 [1,0,0,0,1,0|2,0,0]=4 380 B7R1.2 CC1COC(=O)O1 P105724 [1,0,0,0,1,0|2,0,0]=4 381 B7R1.2 CC1COC(=O)O1 P105725 [1,0,0,0,1,0|2,0,0]=4 382 B7R1.2 CC1COC(=O)O1 P105726 [1,0,0,0,1,0|2,0,0]=4 383 B7R1.2 CC1COC(=O)O1 P122960 [1,0,0,0,1,0|2,0,0]=4 384 B7R1.2 CC1COC(=O)O1 S135940 [1,0,0,0,1,0|2,0,0]=4 385 B7R1.2 CN1CCC(=O)C1 M343187 [1,0,0,0,1,0|1,0,1]=4 386 B7R1.4 C1CC(C(=O)C1)Cl C103555 [1,0,0,0,1,0|1,0,0]=3 387 B7R1.4 C1CC(C(=O)C1)Cl C598656 [1,0,0,0,1,0|1,0,0]=3 388 B7R1.4 C1CNC(=O)C1O H486731 [1,0,0,0,1,0|2,0,0]=4 389 B7R1.4 C1COC(=O)C1Br B107924 [1,0,0,0,1,0|2,0,0]=4 390 B7R1.4 C1COC(=O)C1N A101211 [1,0,0,0,1,0|2,0,0]=4 391 B7R1.4 C1COC(=O)C1N I167498 [1,0,0,0,1,0|2,0,0]=4 392 B7R1.4 C1COC(=O)C1N R137962 [1,0,0,0,1,0|2,0,0]=4 393 B7R1.4 C1COC(=O)C1O H113417 [1,0,0,0,1,0|2,0,0]=4 394 B7R1.4 C1COC(=O)C1O R591020 [1,0,0,0,1,0|2,0,0]=4 395 B7R1.4 C1COC(=O)C1O S161076 [1,0,0,0,1,0|2,0,0]=4 396 B7R1.4 C1CSC(=O)C1N H108030 [1,0,0,0,1,0|2,0,0]=4 397 B7R1.4 C1CSC(=O)C1N S169532 [1,0,0,0,1,0|2,0,0]=4 398 B7R1.4 CC1=CCCC1=O M165952 [1,0,0,0,1,0|0,0,2]=4 399 B7R1.4 CC1C(=O)CCO1 M102944 [1,0,0,0,1,0|1,0,0]=3 400 B7R1.4 CC1C(=O)CCS1 M102985 [1,0,0,0,1,0|1,0,0]=3 401 B7R1.4 CC1CCCC1=O M138029 [1,0,0,0,1,0|0,0,0]=2 402 B7R1.4 CC1CCCC1O B300625 [1,0,0,0,1,0|0,0,2]=4 403 B7R1.4 CC1CCOC1=O A151225 [1,0,0,0,1,0|1,0,0]=3 404 B7R1.4 CN1CCCC1=O M100588 [1,0,0,0,1,0|1,0,0]=3 405 B7R1.4 CN1CCCC1=O M100589 [1,0,0,0,1,0|1,0,0]=3 406 B7R1.4 CN1CCCC1=O M100590 [1,0,0,0,1,0|1,0,0]=3 407 B7R1.4 CN1CCCC1=O M103246 [1,0,0,0,1,0|1,0,0]=3 408 B7R1.4 CN1CCCC1=O M103247 [1,0,0,0,1,0|1,0,0]=3 409 B7R1.4 CN1CCCC1=O M103248 [1,0,0,0,1,0|1,0,0]=3 410 B7R1.4 CN1CCCC1=O M103250 [1,0,0,0,1,0|1,0,0]=3 411 B7R1.4 CN1CCCC1=O M119668 [1,0,0,0,1,0|1,0,0]=3 412 B7R1.4 CN1CCCC1=O M434296 [1,0,0,0,1,0|1,0,0]=3 413 B7R1.4 CN1CCCC1=S M140448 [1,0,0,0,1,0|1,1,0]=4 414 B7R1.4 CN1CCNC1=O M304416 [1,0,0,0,1,0|2,0,0]=4 415 B7R1.4 CN1CCOC1=O M132701 [1,0,0,0,1,0|2,0,0]=4 416 B9R0.42 CC(C)C(=O)CC(=O)OC M106811 [0,0,1,0,0,1|1,0,0]=3