0 B9R1.7 CCCC1=NN=C(O1)N P341058 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.7 CCCC1CCC(=O)O1 H111340 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.7 CCOC1=CC(=O)CC1 E344140 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.1 C1C(OC(=O)N1)CCl C134365 [1,0,0,0,0,0|2,0,0]=3 4 B8R1.1 C1C(OC(=O)O1)CO G156799 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.1 C1CC(=O)NC1CBr B102457 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.1 C1CC(=O)NC1CBr B102458 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.1 C1CC(=O)NC1CO H103185 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.1 C1CC(=O)NC1CO H103186 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.1 C=CC1COC(=O)O1 V107647 [1,0,0,0,0,0|1,0,2]=4 10 B8R1.1 CC1CCC(O1)CO T346390 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.1 CCC1CCC(=O)O1 C111339 [1,0,0,0,0,0|0,0,0]=1 12 B8R1.1 COC1=CC(=O)CC1 M170478 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.8 C1CC(OC1)CC#N T161719 [1,0,0,0,0,0|1,0,2]=4 14 B8R1.8 C1CCC(C1)CCO C154115 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.8 C1COC(O1)CCBr B153144 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.8 C1COC(O1)CCN A151047 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.8 CCCC1=CC=CO1 P160277 [1,0,0,0,0,0|0,0,3]=4 18 B8R1.8 CCCC1=NCCO1 P160311 [1,0,0,0,0,0|1,0,2]=4 19 B8R1.8 CCNC1CCNC1 R160848 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.8 CNCC1OCCO1 M349963 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.8 COCC1CCCN1 M121135 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.8 COCC1CCCN1 M121139 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.14 COC(=O)C1CCC(=O)N1 M138905 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.14 COC(=O)C1CCC(=O)N1 M158587 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.14 COC(=O)C1CCC(=O)N1 R194385 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.16 CCCCC1CCC(=O)O1 O117514 [0,1,0,0,0,0|0,0,0]=1 27 B10R1.54 CC(C)CC1CC(=O)NC1 I589652 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.54 CC(C)CC1CC(=O)NC1 S587757 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.54 CC1COC(O1)CC(C)C I157438 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.130 CCCC1C(=O)NC(=O)N1 P160274 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.130 CCOC1C(=CC(=O)O1)Br B588744 [0,1,0,0,0,0|1,0,2]=4 32 B8R0.1 CCCC(C)COC=O M158009 [0,0,1,0,0,0|2,0,0]=3 33 B8R0.1 CCCCC(CCC)O O159906 [0,0,1,0,0,0|1,0,1]=3 34 B8R0.5 CC(COC)OC(=O)C P106790 [0,0,1,0,0,0|1,0,0]=2 35 B8R0.5 CC(COC)OC(=O)C P299435 [0,0,1,0,0,0|1,0,0]=2 36 B8R0.5 CCCC(C)CC(=C)C D155264 [0,0,1,0,0,0|2,0,0]=3 37 B8R0.5 CCCC(C)CC(C)C D155226 [0,0,1,0,0,0|2,0,1]=4 38 B8R0.5 CCCC(C)CC(C)C D414618 [0,0,1,0,0,0|2,0,1]=4 39 B8R0.6 CCCC=CC(=O)OC M134288 [0,0,1,0,0,0|2,0,1]=4 40 B8R0.6 CCCCCC(=O)C=C O160047 [0,0,1,0,0,0|1,0,2]=4 41 B8R0.6 CCCCCC(=O)CC O106928 [0,0,1,0,0,0|1,0,0]=2 42 B8R0.6 CCCCCC(=O)CC O106929 [0,0,1,0,0,0|1,0,0]=2 43 B8R0.6 CCCCCC(=O)OC M112312 [0,0,1,0,0,0|2,0,0]=3 44 B8R0.6 CCCCCC(=O)OC M112313 [0,0,1,0,0,0|2,0,0]=3 45 B8R0.6 CCCCCC(=O)OC M112314 [0,0,1,0,0,0|2,0,0]=3 46 B8R0.6 CCCCCC(C)CC M158522 [0,0,1,0,0,0|2,0,1]=4 47 B8R0.6 CCCCCC(CC)O O159907 [0,0,1,0,0,0|1,0,2]=4 48 B8R0.6 CCCCNC(=O)C=C N405436 [0,0,1,0,0,0|1,0,2]=4 49 B8R0.6 CCCCNC(=O)CCl N193799 [0,0,1,0,0,0|2,0,0]=3 50 B8R0.6 CCCCOC(=O)C=C B100034 [0,0,1,0,0,0|0,0,2]=3 51 B8R0.6 CCCCOC(=O)C=C B100035 [0,0,1,0,0,0|0,0,2]=3 52 B8R0.6 CCCCOC(=O)C=C B100036 [0,0,1,0,0,0|0,0,2]=3 53 B8R0.6 CCCCOC(=O)C=C B100037 [0,0,1,0,0,0|0,0,2]=3 54 B8R0.6 CCCCOC(=O)CC B152863 [0,0,1,0,0,0|0,0,0]=1 55 B8R0.6 CCCCOC(=O)CCl B152888 [0,0,1,0,0,0|1,0,0]=2 56 B8R0.6 CCCCOC(=O)CO B134012 [0,0,1,0,0,0|1,0,0]=2 57 B8R0.6 CCCCOC(=O)CO B493056 [0,0,1,0,0,0|1,0,0]=2 58 B8R0.6 CCCCOC(=O)CS B152740 [0,0,1,0,0,0|1,0,0]=2 59 B8R0.6 COC(=O)CCCCBr M157983 [0,0,1,0,0,0|3,0,0]=4 60 B8R0.6 COC(=O)CCCCCl M167259 [0,0,1,0,0,0|3,0,0]=4 61 B8R0.6 COCCOC(=O)C=C E102687 [0,0,1,0,0,0|1,0,2]=4 62 B8R0.6 COCCOC(=O)C=C P133111 [0,0,1,0,0,0|1,0,2]=4 63 B8R0.6 COCCOC(=O)C=C P133370 [0,0,1,0,0,0|1,0,2]=4 64 B8R0.6 COCCOC(=O)C=C P136232 [0,0,1,0,0,0|1,0,2]=4 65 B8R0.7 B(CCCCCC)(O)O H299977 [0,0,1,0,0,0|1,0,1]=3 66 B8R0.7 C#CCCCCC(=O)O H107741 [0,0,1,0,0,0|0,0,2]=3 67 B8R0.7 C(CCC(=O)Cl)CCBr B152054 [0,0,1,0,0,0|2,0,0]=3 68 B8R0.7 C(CCC(=O)Cl)CCCl C468097 [0,0,1,0,0,0|2,0,0]=3 69 B8R0.7 C(CCC(=O)N)CCBr B185341 [0,0,1,0,0,0|2,0,0]=3 70 B8R0.7 C(CCC(=O)O)CCBr B104555 [0,0,1,0,0,0|1,0,0]=2 71 B8R0.7 C(CCC(=O)O)CCCl C121729 [0,0,1,0,0,0|1,0,0]=2 72 B8R0.7 C(CCC(=O)O)CCN A306000 [0,0,1,0,0,0|1,0,0]=2 73 B8R0.7 C(CCC(=O)O)CCN A433060 [0,0,1,0,0,0|1,0,0]=2 74 B8R0.7 C(CCC(=O)O)CCO H302536 [0,0,1,0,0,0|1,0,0]=2 75 B8R0.7 C(CCC(=O)O)CCS M292991 [0,0,1,0,0,0|1,0,0]=2 76 B8R0.7 C(CCC(=O)O)CCS M345400 [0,0,1,0,0,0|1,0,0]=2 77 B8R0.7 C(CCC(=O)[O-])CCO P192074 [0,0,1,0,0,0|1,0,1]=3 78 B8R0.7 C(CN)CNCC(=O)O N159195 [0,0,1,0,0,0|2,0,0]=3 79 B8R0.7 C(CNCC(=O)O)C#N N159829 [0,0,1,0,0,0|2,0,1]=4 80 B8R0.7 C(COCCN)C(=O)O A412738 [0,0,1,0,0,0|2,0,0]=3 81 B8R0.7 C=CCOCCC(=O)O A151450 [0,0,1,0,0,0|1,0,2]=4 82 B8R0.7 CC(=O)NCCCCN I168071 [0,0,1,0,0,0|3,0,0]=4 83 B8R0.7 CC(=O)NCCCCN N159176 [0,0,1,0,0,0|3,0,0]=4 84 B8R0.7 CC(=O)OCCCCBr B136623 [0,0,1,0,0,0|3,0,0]=4 85 B8R0.7 CC(=O)OCCCCCl C133987 [0,0,1,0,0,0|3,0,0]=4 86 B8R0.7 CC(=O)OCCCCI I476998 [0,0,1,0,0,0|3,0,0]=4 87 B8R0.7 CC(=O)OCCCSC M157982 [0,0,1,0,0,0|3,0,0]=4 88 B8R0.7 CCCC=CCC(=O)O H303362 [0,0,1,0,0,0|0,0,2]=3 89 B8R0.7 CCCCC#CC(=O)O H157081 [0,0,1,0,0,0|0,0,2]=3 90 B8R0.7 CCCCC=CC(=O)C O100829 [0,0,1,0,0,0|1,0,2]=4 91 B8R0.7 CCCCC=CC(=O)O H305279 [0,0,1,0,0,0|0,0,2]=3 92 B8R0.7 CCCCCCC(=O)C O111186 [0,0,1,0,0,0|1,0,0]=2 93 B8R0.7 CCCCCCC(=O)C O111187 [0,0,1,0,0,0|1,0,0]=2 94 B8R0.7 CCCCCCC(=O)Cl H102418 [0,0,1,0,0,0|1,0,0]=2 95 B8R0.7 CCCCCCC(=O)O H103518 [0,0,1,0,0,0|0,0,0]=1 96 B8R0.7 CCCCCCC(=O)O H103519 [0,0,1,0,0,0|0,0,0]=1 97 B8R0.7 CCCCCCC(=O)O H103520 [0,0,1,0,0,0|0,0,0]=1 98 B8R0.7 CCCCCCC(=O)O H431469 [0,0,1,0,0,0|0,0,0]=1 99 B8R0.7 CCCCCCC(=O)[O-] S161315 [0,0,1,0,0,0|0,0,1]=2 100 B8R0.7 CCCCCCC(C)Br B152446 [0,0,1,0,0,0|2,0,1]=4 101 B8R0.7 CCCCCCC(C)C M158524 [0,0,1,0,0,0|2,0,1]=4 102 B8R0.7 CCCCCCC(C)N A151716 [0,0,1,0,0,0|2,0,1]=4 103 B8R0.7 CCCCCCC(C)N I169738 [0,0,1,0,0,0|2,0,1]=4 104 B8R0.7 CCCCCCC(C)O O111525 [0,0,1,0,0,0|1,0,1]=3 105 B8R0.7 CCCCCCC(C)O O111526 [0,0,1,0,0,0|1,0,1]=3 106 B8R0.7 CCCCCCC(C)O O111527 [0,0,1,0,0,0|1,0,1]=3 107 B8R0.7 CCCCCCC(C)O O111528 [0,0,1,0,0,0|1,0,1]=3 108 B8R0.7 CCCCCCC(C)O R160889 [0,0,1,0,0,0|1,0,1]=3 109 B8R0.7 CCCCCCC(C)O S161171 [0,0,1,0,0,0|1,0,1]=3 110 B8R0.7 CCCCCCN(C)C N303722 [0,0,1,0,0,0|3,0,0]=4 111 B8R0.7 CCCCCOC(=O)C A103450 [0,0,1,0,0,0|2,0,0]=3 112 B8R0.7 CCCCCOC(=O)C A103451 [0,0,1,0,0,0|2,0,0]=3 113 B8R0.7 CCCCCOC(=O)C A103452 [0,0,1,0,0,0|2,0,0]=3 114 B8R0.7 CCCCCOC(=O)Cl A139129 [0,0,1,0,0,0|2,0,0]=3 115 B8R0.7 CCCCCOC(=S)[S-] P160308 [0,0,1,0,0,0|1,2,0]=4 116 B8R0.7 CCCCCO[N+](=O)[O-] A165297 [0,0,1,0,0,0|2,0,1]=4 117 B8R0.7 CCCCOCC(=O)O B152317 [0,0,1,0,0,0|1,0,0]=2 118 B8R0.7 CCCCOCC(C)O B151801 [0,0,1,0,0,0|2,0,1]=4 119 B8R0.7 CCOCCOC(=O)C E105181 [0,0,1,0,0,0|3,0,0]=4 120 B8R0.7 CCOCCOC(=O)C E105183 [0,0,1,0,0,0|3,0,0]=4 121 B8R0.7 CCOCCOC(=O)C E105184 [0,0,1,0,0,0|3,0,0]=4 122 B8R0.7 COCCOCC(=O)O M138320 [0,0,1,0,0,0|2,0,0]=3 123 B8R0.22 CCC(OCC)OCC P160796 [0,0,1,0,0,0|2,0,1]=4 124 B8R0.22 CCCC(CC)CCC E156246 [0,0,1,0,0,0|2,0,1]=4 125 B10R2.2 C1CC2CN(CC2C1)N A124225 [0,0,0,1,0,0|3,0,0]=4 126 B10R1.1 CCCC1CCC(=O)CC1 P115524 [0,0,0,0,0,1|1,0,0]=2 127 B10R1.1 CCCC1CCC(CC1)O P160707 [0,0,0,0,0,1|1,0,2]=4 128 B10R1.1 CCCN1CCC(=O)CC1 P103612 [0,0,0,0,0,1|2,0,0]=3 129 B10R1.10 CCCC1CCCC(=O)O1 O117516 [0,0,0,0,0,1|0,0,0]=1 130 B10R1.10 CCCC1CCOC(S1)C M103004 [0,0,0,0,0,1|1,1,1]=4 131 B10R1.10 CCOC1=CC(=O)CCC1 E156472 [0,0,0,0,0,1|2,0,1]=4 132 B7R0.1 C(CCC=O)CC=O A302164 [1,0,1,0,0,0|1,0,1]=4 133 B7R0.1 C(CCCBr)CCO B138834 [1,0,1,0,0,0|1,0,1]=4 134 B7R0.1 C(CCCBr)CCO S304692 [1,0,1,0,0,0|1,0,1]=4 135 B7R0.1 C(CCCCl)CCO C109454 [1,0,1,0,0,0|1,0,1]=4 136 B7R0.1 C(CCCO)CCN A101232 [1,0,1,0,0,0|1,0,1]=4 137 B7R0.1 C(CCCO)CCO H103707 [1,0,1,0,0,0|1,0,1]=4 138 B7R0.1 C(CCCO)CCO H103708 [1,0,1,0,0,0|1,0,1]=4 139 B7R0.1 C(CCCS)CCO M123042 [1,0,1,0,0,0|1,0,1]=4 140 B7R0.1 C(CCCS)CCO M299208 [1,0,1,0,0,0|1,0,1]=4 141 B7R0.1 C=CCCCCCBr B134159 [1,0,1,0,0,0|2,0,0]=4 142 B7R0.1 C=CCCCCCO H156869 [1,0,1,0,0,0|2,0,0]=4 143 B7R0.1 CCC=CCCC=O C154040 [1,0,1,0,0,0|0,0,2]=4 144 B7R0.1 CCC=CCCCO C153484 [1,0,1,0,0,0|2,0,0]=4 145 B7R0.1 CCCCC=CC=O T161484 [1,0,1,0,0,0|0,0,2]=4 146 B7R0.1 CCCCC=CCC C153584 [1,0,1,0,0,0|1,0,0]=3 147 B7R0.1 CCCCC=CCC T161817 [1,0,1,0,0,0|1,0,0]=3 148 B7R0.1 CCCCC=CCO T161435 [1,0,1,0,0,0|2,0,0]=4 149 B7R0.1 CCCCCC=CC C153583 [1,0,1,0,0,0|1,0,1]=4 150 B7R0.1 CCCCCC=CC O159996 [1,0,1,0,0,0|1,0,1]=4 151 B7R0.1 CCCCCC=CC T161814 [1,0,1,0,0,0|1,0,1]=4 152 B7R0.1 CCCCCCC#C O109633 [1,0,1,0,0,0|1,0,1]=4 153 B7R0.1 CCCCCCC#N H156965 [1,0,1,0,0,0|1,0,1]=4 154 B7R0.1 CCCCCCC=C O108659 [1,0,1,0,0,0|1,0,0]=3 155 B7R0.1 CCCCCCC=C O108660 [1,0,1,0,0,0|1,0,0]=3 156 B7R0.1 CCCCCCC=O H105934 [1,0,1,0,0,0|0,0,0]=2 157 B7R0.1 CCCCCCC=O H105935 [1,0,1,0,0,0|0,0,0]=2 158 B7R0.1 CCCCCCCBr B109258 [1,0,1,0,0,0|1,0,1]=4 159 B7R0.1 CCCCCCCC O100577 [1,0,1,0,0,0|1,0,1]=4 160 B7R0.1 CCCCCCCC O100578 [1,0,1,0,0,0|1,0,1]=4 161 B7R0.1 CCCCCCCC O100580 [1,0,1,0,0,0|1,0,1]=4 162 B7R0.1 CCCCCCCC O100581 [1,0,1,0,0,0|1,0,1]=4 163 B7R0.1 CCCCCCCC O119714 [1,0,1,0,0,0|1,0,1]=4 164 B7R0.1 CCCCCCCCl C153657 [1,0,1,0,0,0|1,0,1]=4 165 B7R0.1 CCCCCCCI I157581 [1,0,1,0,0,0|1,0,1]=4 166 B7R0.1 CCCCCCCN H113175 [1,0,1,0,0,0|1,0,1]=4 167 B7R0.1 CCCCCCCO H108210 [1,0,1,0,0,0|0,0,1]=3 168 B7R0.1 CCCCCCCO H108211 [1,0,1,0,0,0|0,0,1]=3 169 B7R0.1 CCCCCCCO H108212 [1,0,1,0,0,0|0,0,1]=3 170 B7R0.1 CCCCCCCS H102322 [1,0,1,0,0,0|0,1,1]=4 171 B7R0.1 CCCCCCNC N341547 [1,0,1,0,0,0|2,0,0]=4 172 B7R0.1 CCCCCCOC H157292 [1,0,1,0,0,0|2,0,0]=4 173 B7R0.1 CCCCCN=C=O P352487 [1,0,1,0,0,0|1,0,1]=4 174 B7R0.1 CCCCCOC=O A151451 [1,0,1,0,0,0|1,0,0]=3 175 B7R0.1 CCCCCON=O A151126 [1,0,1,0,0,0|2,0,0]=4 176 B7R0.1 CCCCNCCO B140397 [1,0,1,0,0,0|1,0,1]=4 177 B7R0.1 CCCCNCCO B299088 [1,0,1,0,0,0|1,0,1]=4 178 B7R0.1 CCCCOCC=C A151096 [1,0,1,0,0,0|2,0,0]=4 179 B7R0.1 CCCCOCCCl B152831 [1,0,1,0,0,0|1,0,1]=4 180 B7R0.1 CCCCOCCN B357161 [1,0,1,0,0,0|1,0,1]=4 181 B7R0.1 CCCCOCCO E110823 [1,0,1,0,0,0|1,0,1]=4 182 B7R0.1 CCCCOCCO E110827 [1,0,1,0,0,0|1,0,1]=4 183 B7R0.3 CCC(=O)NCCO N158966 [1,0,1,0,0,0|2,0,0]=4 184 B7R0.3 CCC(C=CC=O)O E347259 [1,0,1,0,0,0|0,0,2]=4 185 B7R0.3 CCCCC(=C)CC E156236 [1,0,1,0,0,0|1,0,0]=3 186 B7R0.3 CCCCC(=O)CC H103766 [1,0,1,0,0,0|0,0,0]=2 187 B7R0.3 CCCCC(=O)NN P135113 [1,0,1,0,0,0|2,0,0]=4 188 B7R0.3 CCCCC(=O)OC M108213 [1,0,1,0,0,0|1,0,0]=3 189 B7R0.3 CCCCC(=O)OC M108214 [1,0,1,0,0,0|1,0,0]=3 190 B7R0.3 CCCCC(C)CC M113650 [1,0,1,0,0,0|1,0,1]=4 191 B7R0.3 CCCCC(CC)Br B152441 [1,0,1,0,0,0|1,0,1]=4 192 B7R0.3 CCCCC(CC)O H156872 [1,0,1,0,0,0|0,0,2]=4 193 B7R0.3 CCCOC(=O)CC P111531 [1,0,1,0,0,0|0,0,0]=2 194 B7R0.3 CCCOC(=O)CC P111532 [1,0,1,0,0,0|0,0,0]=2 195 B7R0.3 COC(=O)CCCBr M158832 [1,0,1,0,0,0|2,0,0]=4 196 B7R0.3 COC(=O)CCCBr M492178 [1,0,1,0,0,0|2,0,0]=4 197 B7R0.3 COC(=O)CCCCl C108118 [1,0,1,0,0,0|2,0,0]=4 198 B7R0.3 COC(=O)CCCI M167258 [1,0,1,0,0,0|2,0,0]=4 199 B7R0.3 COC(=O)CCCN M124081 [1,0,1,0,0,0|2,0,0]=4 200 B7R0.3 COC(=O)CCSC M302466 [1,0,1,0,0,0|2,0,0]=4 201 B7R0.3 COCCC(=O)OC M134953 [1,0,1,0,0,0|2,0,0]=4 202 B7R0.7 CCCC(C)CCC M113651 [1,0,1,0,0,0|1,0,1]=4 203 B7R0.7 CCCC(CCC)N H156930 [1,0,1,0,0,0|1,0,1]=4 204 B7R0.7 CCCC(CCC)O H156873 [1,0,1,0,0,0|0,0,1]=3 205 B7R0.7 CCCC(CCO)S M102905 [1,0,1,0,0,0|0,1,1]=4 206 B7R0.7 CCOC(C)OCC A109196 [1,0,1,0,0,0|1,0,1]=4 207 B7R0.7 CCOC(C)OCC A109197 [1,0,1,0,0,0|1,0,1]=4 208 B7R0.2 CCC(C)CC(=O)O M109883 [1,0,1,0,0,0|2,0,0]=4 209 B7R0.2 CCC(C)OC(=O)C B108576 [1,0,1,0,0,0|0,0,0]=2 210 B7R0.2 CCC(C)OC(=O)C B108578 [1,0,1,0,0,0|0,0,0]=2 211 B7R0.2 CCC(C)OC(=O)Cl S189048 [1,0,1,0,0,0|1,0,0]=3 212 B7R0.4 B(CCCCC)(O)O N193507 [1,0,1,0,0,0|1,0,1]=4 213 B7R0.4 C#CCCCC(=O)O H111132 [1,0,1,0,0,0|0,0,2]=4 214 B7R0.4 C(CC#N)CC(=O)O C184246 [1,0,1,0,0,0|1,0,1]=4 215 B7R0.4 C(CCBr)CC(=O)Cl B138857 [1,0,1,0,0,0|2,0,0]=4 216 B7R0.4 C(CCBr)CC(=O)O B106966 [1,0,1,0,0,0|1,0,0]=3 217 B7R0.4 C(CCCl)CC(=O)Cl C102473 [1,0,1,0,0,0|2,0,0]=4 218 B7R0.4 C(CCCl)CC(=O)O C153468 [1,0,1,0,0,0|1,0,0]=3 219 B7R0.4 C(CCN)CC(=O)O A107493 [1,0,1,0,0,0|1,0,0]=3 220 B7R0.4 C(CCN)CC(=O)O A151151 [1,0,1,0,0,0|1,0,0]=3 221 B7R0.4 C(CCN)CC(=O)O A151349 [1,0,1,0,0,0|1,0,0]=3 222 B7R0.4 C(CCN)CC(=O)O A491891 [1,0,1,0,0,0|1,0,0]=3 223 B7R0.4 C(CCN)CC(=O)O A491894 [1,0,1,0,0,0|1,0,0]=3 224 B7R0.4 C(CCO)CC(=O)[O-] H184096 [1,0,1,0,0,0|1,0,1]=4 225 B7R0.4 C(CNCC(=O)O)N A124646 [1,0,1,0,0,0|2,0,0]=4 226 B7R0.4 C=CCCCC(=O)O H157078 [1,0,1,0,0,0|0,0,2]=4 227 B7R0.4 CC(=O)CCCCCl C108058 [1,0,1,0,0,0|2,0,0]=4 228 B7R0.4 CC(=O)OCCCCl C135233 [1,0,1,0,0,0|1,0,0]=3 229 B7R0.4 CC(=O)OCCOC M106167 [1,0,1,0,0,0|1,0,0]=3 230 B7R0.4 CC(=O)SCCCBr B333089 [1,0,1,0,0,0|1,1,0]=4 231 B7R0.4 CCC=CCC(=O)O H101494 [1,0,1,0,0,0|0,0,2]=4 232 B7R0.4 CCCC=CC(=O)C H156932 [1,0,1,0,0,0|1,0,1]=4 233 B7R0.4 CCCC=CC(=O)O H107513 [1,0,1,0,0,0|0,0,2]=4 234 B7R0.4 CCCC=CC(=O)O H400070 [1,0,1,0,0,0|0,0,2]=4 235 B7R0.4 CCCCCC(=C)C M158504 [1,0,1,0,0,0|2,0,0]=4 236 B7R0.4 CCCCCC(=O)C H103803 [1,0,1,0,0,0|1,0,0]=3 237 B7R0.4 CCCCCC(=O)C H103827 [1,0,1,0,0,0|1,0,0]=3 238 B7R0.4 CCCCCC(=O)Cl H102419 [1,0,1,0,0,0|1,0,0]=3 239 B7R0.4 CCCCCC(=O)Cl H130076 [1,0,1,0,0,0|1,0,0]=3 240 B7R0.4 CCCCCC(=O)N H157108 [1,0,1,0,0,0|1,0,0]=3 241 B7R0.4 CCCCCC(=O)O H103630 [1,0,1,0,0,0|0,0,0]=2 242 B7R0.4 CCCCCC(=O)O H103631 [1,0,1,0,0,0|0,0,0]=2 243 B7R0.4 CCCCCC(=O)O H103632 [1,0,1,0,0,0|0,0,0]=2 244 B7R0.4 CCCCCC(=O)O H278778 [1,0,1,0,0,0|0,0,0]=2 245 B7R0.4 CCCCCC(=O)O H432079 [1,0,1,0,0,0|0,0,0]=2 246 B7R0.4 CCCCCC(=O)[O-] S161313 [1,0,1,0,0,0|0,0,1]=3 247 B7R0.4 CCCCCC(C)O H100747 [1,0,1,0,0,0|1,0,1]=4 248 B7R0.4 CCCCCC(C)O I137289 [1,0,1,0,0,0|1,0,1]=4 249 B7R0.4 CCCCNC(=O)N B152704 [1,0,1,0,0,0|2,0,0]=4 250 B7R0.4 CCCCOC(=O)C B116224 [1,0,1,0,0,0|0,0,0]=2 251 B7R0.4 CCCCOC(=O)C B116225 [1,0,1,0,0,0|0,0,0]=2 252 B7R0.4 CCCCOC(=O)C B116227 [1,0,1,0,0,0|0,0,0]=2 253 B7R0.4 CCCCOC(=O)C B116228 [1,0,1,0,0,0|0,0,0]=2 254 B7R0.4 CCCCOC(=O)C B119685 [1,0,1,0,0,0|0,0,0]=2 255 B7R0.4 CCCCOC(=O)N B152422 [1,0,1,0,0,0|1,0,0]=3 256 B7R0.4 CCCCOC(=S)[S-] P160349 [1,0,1,0,0,0|1,1,0]=4 257 B7R0.4 CCCCO[N+](=O)[O-] N334844 [1,0,1,0,0,0|2,0,0]=4 258 B7R0.4 CCOCCC(=O)C E156453 [1,0,1,0,0,0|2,0,0]=4 259 B7R0.4 CCOCCC(=O)O E156172 [1,0,1,0,0,0|1,0,0]=3 260 B7R0.4 CNCCCC(=O)O M276212 [1,0,1,0,0,0|1,0,0]=3 261 B7R0.4 CNCCCC(=O)O M397624 [1,0,1,0,0,0|1,0,0]=3 262 B7R0.4 COCCCC(=O)O M192558 [1,0,1,0,0,0|1,0,0]=3 263 B7R0.4 COCCOC(=O)Cl M158778 [1,0,1,0,0,0|2,0,0]=4 264 B7R0.4 [CH]CCCCC(=O)[N] P111447 [1,0,1,0,0,0|1,0,1]=4 265 B7R0.4 [CH]CCCCC(=O)[N] P128923 [1,0,1,0,0,0|1,0,1]=4 266 B7R1.1 C1CC(OC1)CBr T161718 [2,0,0,0,0,0|1,0,1]=4 267 B7R1.1 C1CC(OC1)CCl T109587 [2,0,0,0,0,0|1,0,1]=4 268 B7R1.1 C1CC(OC1)CN T111157 [2,0,0,0,0,0|1,0,1]=4 269 B7R1.1 C1CC(OC1)CN T113724 [2,0,0,0,0,0|1,0,1]=4 270 B7R1.1 C1CC(OC1)CN T119768 [2,0,0,0,0,0|1,0,1]=4 271 B7R1.1 C1CC(OC1)CO T105718 [2,0,0,0,0,0|1,0,1]=4 272 B7R1.1 C1CC(OC1)CO T105720 [2,0,0,0,0,0|1,0,1]=4 273 B7R1.1 CCC1CCCC1 E156243 [2,0,0,0,0,0|1,0,1]=4 274 B7R1.2 C1C(OC(=O)O1)Cl C154009 [2,0,0,0,0,0|2,0,0]=4 275 B7R1.2 C1C(OC(=O)O1)Cl C298772 [2,0,0,0,0,0|2,0,0]=4 276 B7R1.2 C1C(OC(=O)O1)F F120339 [2,0,0,0,0,0|2,0,0]=4 277 B7R1.2 C1CC(=O)OC1=O S104823 [2,0,0,0,0,0|1,0,1]=4 278 B7R1.2 C1CC(=O)OC1=O S104824 [2,0,0,0,0,0|1,0,1]=4 279 B7R1.2 CC1=CC(=O)CC1 M109537 [2,0,0,0,0,0|1,0,1]=4 280 B7R1.2 CC1=CCC(=O)O1 A151155 [2,0,0,0,0,0|0,0,2]=4 281 B7R1.2 CC1=CCC(=O)O1 A433012 [2,0,0,0,0,0|0,0,2]=4 282 B7R1.2 CC1CCC(=O)C1 M113659 [2,0,0,0,0,0|1,0,0]=3 283 B7R1.2 CC1CCC(=O)N1 M158429 [2,0,0,0,0,0|1,0,0]=3 284 B7R1.2 CC1CCC(=O)O1 V106294 [2,0,0,0,0,0|0,0,0]=2 285 B7R1.2 CC1CCC(O1)C D155243 [2,0,0,0,0,0|1,0,1]=4 286 B7R1.2 CC1COC(=O)O1 P105723 [2,0,0,0,0,0|1,0,0]=3 287 B7R1.2 CC1COC(=O)O1 P105724 [2,0,0,0,0,0|1,0,0]=3 288 B7R1.2 CC1COC(=O)O1 P105725 [2,0,0,0,0,0|1,0,0]=3 289 B7R1.2 CC1COC(=O)O1 P105726 [2,0,0,0,0,0|1,0,0]=3 290 B7R1.2 CC1COC(=O)O1 P122960 [2,0,0,0,0,0|1,0,0]=3 291 B7R1.2 CC1COC(=O)O1 S135940 [2,0,0,0,0,0|1,0,0]=3 292 B7R1.2 CC1COS(=O)O1 M120340 [2,0,0,0,0,0|2,0,0]=4 293 B7R1.2 CN1CCC(=O)C1 M343187 [2,0,0,0,0,0|2,0,0]=4 294 B9R0.18 CCCCC(CCCC)O N159700 [0,1,1,0,0,0|1,0,1]=4 295 B9R0.53 CC(C)CC(C)CC(=O)C D301469 [0,1,1,0,0,0|1,0,0]=3 296 B9R0.53 CC(OC(=O)C)OC(=O)C E156139 [0,1,1,0,0,0|1,0,1]=4 297 B9R0.1 CC(C)CCOC(=O)C=C I157701 [0,1,1,0,0,0|0,0,2]=4 298 B9R0.1 CCC(=O)OCCC(C)C I101112 [0,1,1,0,0,0|0,0,0]=2 299 B9R0.46 C=CC(=O)OCCCCO H156908 [0,1,1,0,0,0|0,0,2]=4 300 B9R0.46 CCCCCCC(=O)CC N158994 [0,1,1,0,0,0|1,0,0]=3 301 B9R0.46 CCCCCCC(=O)OC M158054 [0,1,1,0,0,0|2,0,0]=4 302 B9R0.46 CCCCCCC(=O)OC M158149 [0,1,1,0,0,0|2,0,0]=4 303 B9R0.46 CCCCCOC(=O)C=C P588632 [0,1,1,0,0,0|0,0,2]=4 304 B9R0.46 CCCCCOC(=O)CC P137733 [0,1,1,0,0,0|0,0,0]=2 305 B9R0.46 CCOCCOC(=O)C=C E586300 [0,1,1,0,0,0|0,0,2]=4 306 B9R0.46 COC(=O)CCCCCN M138421 [0,1,1,0,0,0|2,0,0]=4 307 B9R0.47 CC(=C)C(=O)OCCOC E102359 [0,1,1,0,0,0|1,0,1]=4 308 B9R0.47 CC(=C)C(=O)OCCOC P109711 [0,1,1,0,0,0|1,0,1]=4 309 B9R0.47 CC(=C)C(=O)OCCOC P432527 [0,1,1,0,0,0|1,0,1]=4 310 B9R0.47 CC(=C)C(=O)OCCOC P432529 [0,1,1,0,0,0|1,0,1]=4 311 B9R0.47 CC(=C)C(=O)OCCOC P432531 [0,1,1,0,0,0|1,0,1]=4 312 B9R0.47 CC(=C)C(=O)OCCSC M468079 [0,1,1,0,0,0|1,0,1]=4 313 B9R0.47 CCCCCC(=O)C(=O)C O589566 [0,1,1,0,0,0|1,0,1]=4 314 B9R0.47 CCCCOC(=O)C(=C)C B110902 [0,1,1,0,0,0|0,0,1]=3 315 B9R0.47 CCCCOC(=O)C(=C)C B110903 [0,1,1,0,0,0|0,0,1]=3 316 B9R0.47 CCCCOC(=O)C(=C)C B110904 [0,1,1,0,0,0|0,0,1]=3 317 B9R0.47 CCCCOC(=O)C(C)C B152857 [0,1,1,0,0,0|0,0,0]=2 318 B9R0.47 CCCCOC(=O)C(C)O B111190 [0,1,1,0,0,0|0,0,0]=2 319 B9R0.47 CCCCOC(=O)C(C)O B303494 [0,1,1,0,0,0|0,0,0]=2 320 B9R0.50 CCCCOC(CC)CO P117874 [0,1,1,0,0,0|0,0,2]=4 321 B9R0.50 CCCCOC(CC)CO P118599 [0,1,1,0,0,0|0,0,2]=4 322 B9R0.50 CCCCOC(CC)CO P141386 [0,1,1,0,0,0|0,0,2]=4 323 B9R0.50 CCCCOC(CC)CO P432410 [0,1,1,0,0,0|0,0,2]=4 324 B9R0.2 C#CCCCCCC(=O)O O491862 [0,1,1,0,0,0|0,0,1]=3 325 B9R0.2 C(CCCBr)CCC(=O)O B138642 [0,1,1,0,0,0|0,0,0]=2 326 B9R0.2 C(CCCN)CCC(=O)O A151309 [0,1,1,0,0,0|0,0,0]=2 327 B9R0.2 C(CCCN)CCC(=O)O A334272 [0,1,1,0,0,0|0,0,0]=2 328 B9R0.2 C(CCCO)CCC(=O)O H334249 [0,1,1,0,0,0|0,0,0]=2 329 B9R0.2 C(CCCO)CCC(=O)[O-] H333362 [0,1,1,0,0,0|0,0,1]=3 330 B9R0.2 C(CCN=[N+]=[N-])CC(=O)O A151193 [0,1,1,0,0,0|2,0,0]=4 331 B9R0.2 C=CCCCCCC(=O)O O168152 [0,1,1,0,0,0|0,0,1]=3 332 B9R0.2 CC(=O)NCCCCCN N159177 [0,1,1,0,0,0|2,0,0]=4 333 B9R0.2 CC(=O)NCCCCCN N423313 [0,1,1,0,0,0|2,0,0]=4 334 B9R0.2 CC(=O)OCCCCCBr B152865 [0,1,1,0,0,0|2,0,0]=4 335 B9R0.2 CCCCCC#CC(=O)O B301308 [0,1,1,0,0,0|0,0,1]=3 336 B9R0.2 CCCCCC=CC(=O)C N302867 [0,1,1,0,0,0|1,0,1]=4 337 B9R0.2 CCCCCC=CC(=O)O T162199 [0,1,1,0,0,0|0,0,1]=3 338 B9R0.2 CCCCCC=CC(=O)O T422289 [0,1,1,0,0,0|0,0,1]=3 339 B9R0.2 CCCCCCCC(=O)C N105585 [0,1,1,0,0,0|1,0,0]=3 340 B9R0.2 CCCCCCCC(=O)Cl O101697 [0,1,1,0,0,0|1,0,0]=3 341 B9R0.2 CCCCCCCC(=O)N N159412 [0,1,1,0,0,0|1,0,0]=3 342 B9R0.2 CCCCCCCC(=O)O N421038 [0,1,1,0,0,0|0,0,0]=2 343 B9R0.2 CCCCCCCC(=O)O O108276 [0,1,1,0,0,0|0,0,0]=2 344 B9R0.2 CCCCCCCC(=O)O O108277 [0,1,1,0,0,0|0,0,0]=2 345 B9R0.2 CCCCCCCC(=O)O O108278 [0,1,1,0,0,0|0,0,0]=2 346 B9R0.2 CCCCCCCC(=O)O O108279 [0,1,1,0,0,0|0,0,0]=2 347 B9R0.2 CCCCCCCC(=O)O O431649 [0,1,1,0,0,0|0,0,0]=2 348 B9R0.2 CCCCCCCC(=O)O R113304 [0,1,1,0,0,0|0,0,0]=2 349 B9R0.2 CCCCCCCC(=O)[O-] L340331 [0,1,1,0,0,0|0,0,1]=3 350 B9R0.2 CCCCCCCC(=O)[O-] S113206 [0,1,1,0,0,0|0,0,1]=3 351 B9R0.2 CCCCCCCC(=O)[O-] S117847 [0,1,1,0,0,0|0,0,1]=3 352 B9R0.2 CCCCCCCC(=O)[O-] S491233 [0,1,1,0,0,0|0,0,1]=3 353 B9R0.2 CCCCCCCC(C)O N159697 [0,1,1,0,0,0|1,0,1]=4 354 B9R0.2 CCCCCCCC(C)O N298586 [0,1,1,0,0,0|1,0,1]=4 355 B9R0.2 CCCCCCOC(=O)C H111061 [0,1,1,0,0,0|1,0,0]=3 356 B9R0.2 CCCCCCOC(=O)C H111062 [0,1,1,0,0,0|1,0,0]=3 357 B9R0.2 CCCCCCOC(=O)C H111063 [0,1,1,0,0,0|1,0,0]=3 358 B9R0.2 CCCCCCOC(=O)Cl H139072 [0,1,1,0,0,0|1,0,0]=3 359 B9R0.2 COCCCCCC(=O)O M170253 [0,1,1,0,0,0|0,0,0]=2 360 B9R0.38 CCCCCCP(=O)(O)O H157410 [0,1,1,0,0,0|1,0,0]=3 361 B9R0.38 CCCCCCS(=O)(=O)[O-] H189073 [0,1,1,0,0,0|1,0,1]=4 362 B9R0.38 CCCCCCS(=O)(=O)[O-] S104947 [0,1,1,0,0,0|1,0,1]=4 363 B9R0.38 CCCCCCS(=O)(=O)[O-] S104948 [0,1,1,0,0,0|1,0,1]=4 364 B9R0.55 C(CCC(=O)O)CC(=O)O A108264 [0,1,1,0,0,0|1,0,1]=4 365 B9R0.55 C(CCC(=O)O)CC(=O)O A108265 [0,1,1,0,0,0|1,0,1]=4 366 B9R0.55 C(CCC(=O)O)CC(=O)O A108266 [0,1,1,0,0,0|1,0,1]=4 367 B9R0.55 C(CCC(=O)O)CC(=O)O A119540 [0,1,1,0,0,0|1,0,1]=4 368 B9R0.55 C(CCC(=O)O)CC(=O)O A421037 [0,1,1,0,0,0|1,0,1]=4 369 B9R0.55 C(CCC(=O)O)CC(=O)O A431648 [0,1,1,0,0,0|1,0,1]=4 370 B9R0.55 C(CCC(=O)O)CC(=O)O P160731 [0,1,1,0,0,0|1,0,1]=4 371 B9R0.55 C(CCC(=O)O)CC(=O)O P341826 [0,1,1,0,0,0|1,0,1]=4 372 B9R0.55 C(CCC(=O)O)CC(=O)O P421581 [0,1,1,0,0,0|1,0,1]=4 373 B9R0.55 CC(=O)CCCCC(=O)O O135071 [0,1,1,0,0,0|0,0,1]=3 374 B9R0.55 CC(=O)NCCCC(=O)O A169398 [0,1,1,0,0,0|1,0,1]=4 375 B9R0.55 CC(C)CCCCC(=O)O M304994 [0,1,1,0,0,0|0,0,0]=2 376 B9R1.35 C1CC(=O)OC1C(=O)O O589119 [1,1,0,0,0,0|1,0,1]=4 377 B9R1.35 C1CC(=O)OC1C(=O)O R160887 [1,1,0,0,0,0|1,0,1]=4 378 B9R1.35 C1CC(=O)OC1C(=O)O S161230 [1,1,0,0,0,0|1,0,1]=4 379 B9R1.35 CC(C)C1COC(=O)N1 I107588 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.35 CC(C)C1COC(=O)N1 I107589 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.132 CCC1=C(C(=O)CC1)O E102537 [1,1,0,0,0,0|1,0,1]=4 382 B9R1.12 C1CCC(C1)CCCO C348026 [1,1,0,0,0,0|1,0,1]=4 383 B9R1.12 C1COC(O1)CCCBr B153123 [1,1,0,0,0,0|1,0,1]=4 384 B9R1.12 C1COC(O1)CCCCl C132505 [1,1,0,0,0,0|1,0,1]=4 385 B11R1.1 CCCCN1CCC(=O)CC1 B183016 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.20 CC(C)CN1CCC(=O)CC1 M136849 [0,1,0,0,0,1|2,0,0]=4 387 B11R1.24 CCCCC1CCCC(=O)O1 N117517 [0,1,0,0,0,1|0,0,0]=2 388 B11R1.34 CCCC1CC(=CC(=O)C1)C C347469 [0,1,0,0,0,1|1,0,1]=4 389 B11R1.15 CCOC(=O)C1CCC(=O)N1 E133568 [0,2,0,0,0,0|1,0,1]=4 390 B11R1.15 CCOC(=O)C1CCC(=O)N1 E472587 [0,2,0,0,0,0|1,0,1]=4 391 B11R1.27 CCCCCC1CCC(=O)O1 N101430 [0,2,0,0,0,0|0,0,0]=2 392 B11R1.230 CCCCC1C(CC(=O)O1)C B152725 [0,2,0,0,0,0|0,0,0]=2 393 B9R1.15 CCC1CCCCC1O E156074 [0,0,1,1,0,0|1,0,1]=4 394 B9R1.27 CCC1C(=O)CCC1=O E156451 [0,0,1,1,0,0|0,0,2]=4 395 B9R1.49 CN1CCCC(=O)CC1 M587966 [0,0,1,1,0,0|2,0,0]=4 396 B9R1.50 C1CC=CCCC(C1)O C193374 [0,0,1,1,0,0|1,0,0]=3 397 B9R1.50 C1CC=CCCC(C1)O E487313 [0,0,1,1,0,0|1,0,0]=3 398 B9R1.50 C1CCCC(CCC1)O C153307 [0,0,1,1,0,0|1,0,1]=4 399 B9R1.69 CC1CCC(CC1C)O D155902 [0,0,1,1,0,0|1,0,1]=4 400 B9R1.69 CC1CN(CCC1=O)C D154313 [0,0,1,1,0,0|2,0,0]=4 401 B9R1.34 CC1CC(=CC(=O)C1)C D338929 [0,0,1,1,0,0|1,0,1]=4 402 B9R1.34 CC1CC(=O)OC(=O)C1 M158784 [0,0,1,1,0,0|1,0,1]=4 403 B9R1.34 CC1CC(CC(=O)C1)C D138533 [0,0,1,1,0,0|1,0,0]=3 404 B9R1.1 CCC1CCC(=O)CC1 E115523 [0,0,1,1,0,0|1,0,0]=3 405 B9R1.1 CCN1CCC(=O)CC1 E156493 [0,0,1,1,0,0|2,0,0]=4 406 B9R1.1 COC1CCC(=O)CC1 M587028 [0,0,1,1,0,0|2,0,0]=4 407 B9R1.5 C1CCC(C(=O)CC1)Cl C153943 [0,0,1,1,0,0|2,0,0]=4 408 B9R1.5 C1CCNC(=O)C(C1)N S135609 [0,0,1,1,0,0|2,0,0]=4 409 B9R1.5 C1CCNC(=O)C(C1)N S588137 [0,0,1,1,0,0|2,0,0]=4 410 B9R1.5 CN1CCCCCC1=O N159776 [0,0,1,1,0,0|2,0,0]=4 411 B9R1.6 B(C1CCCCC1)(O)O C120310 [0,0,1,1,0,0|1,0,1]=4 412 B9R1.6 C1CC(CC=C1)C(=O)O C102409 [0,0,1,1,0,0|0,0,2]=4 413 B9R1.6 C1CC(CC=C1)C(=O)O R176823 [0,0,1,1,0,0|0,0,2]=4 414 B9R1.6 C1CC(CC=C1)C(=O)O S161048 [0,0,1,1,0,0|0,0,2]=4 415 B9R1.6 C1CC(CNC1)C(=O)N P121557 [0,0,1,1,0,0|2,0,0]=4 416 B9R1.6 C1CC(CNC1)C(=O)O P113283 [0,0,1,1,0,0|1,0,0]=3 417 B9R1.6 C1CC(CNC1)C(=O)O P119071 [0,0,1,1,0,0|1,0,0]=3 418 B9R1.6 C1CC(CNC1)C(=O)O P119075 [0,0,1,1,0,0|1,0,0]=3 419 B9R1.6 C1CC(CNC1)C(=O)O R195578 [0,0,1,1,0,0|1,0,0]=3 420 B9R1.6 C1CCC(=CC1)C(=O)O C106976 [0,0,1,1,0,0|0,0,2]=4 421 B9R1.6 C1CCC(CC1)C(=O)Cl B115115 [0,0,1,1,0,0|1,0,0]=3 422 B9R1.6 C1CCC(CC1)C(=O)N C131942 [0,0,1,1,0,0|1,0,0]=3 423 B9R1.6 C1CCC(CC1)C(=O)O C110756 [0,0,1,1,0,0|0,0,0]=2 424 B9R1.6 C1CCN(CC1)C(=O)Cl P468726 [0,0,1,1,0,0|2,0,0]=4 425 B9R1.6 C1CCNC(C1)C(=O)N P160119 [0,0,1,1,0,0|2,0,0]=4 426 B9R1.6 C1CCNC(C1)C(=O)O D331240 [0,0,1,1,0,0|1,0,0]=3 427 B9R1.6 C1CCNC(C1)C(=O)O D358401 [0,0,1,1,0,0|1,0,0]=3 428 B9R1.6 C1CCNC(C1)C(=O)O D424577 [0,0,1,1,0,0|1,0,0]=3 429 B9R1.6 C1CCNC(C1)C(=O)O H100528 [0,0,1,1,0,0|1,0,0]=3 430 B9R1.6 C1CCNC(C1)C(=O)O P101393 [0,0,1,1,0,0|1,0,0]=3 431 B9R1.6 C1CCNC(C1)C(=O)O P106214 [0,0,1,1,0,0|1,0,0]=3 432 B9R1.6 C1CCNC(C1)C(=O)O S136371 [0,0,1,1,0,0|1,0,0]=3 433 B9R1.6 C1CCNC(C1)C(=O)O S192036 [0,0,1,1,0,0|1,0,0]=3 434 B9R1.6 C1CNC(CN1)C(=O)O P119067 [0,0,1,1,0,0|2,0,0]=4 435 B9R1.6 C1CNC(CN1)C(=O)O P119070 [0,0,1,1,0,0|2,0,0]=4 436 B9R1.6 C1CNC(CN1)C(=O)O P124229 [0,0,1,1,0,0|2,0,0]=4 437 B9R1.6 C1CNC(CN1)C(=O)O P124230 [0,0,1,1,0,0|2,0,0]=4 438 B9R1.6 C1CNCCC1C(=O)N P122896 [0,0,1,1,0,0|2,0,0]=4 439 B9R1.6 C1CNCCC1C(=O)O I109586 [0,0,1,1,0,0|1,0,0]=3 440 B9R1.6 C1COC(CO1)C(=O)O D187857 [0,0,1,1,0,0|2,0,0]=4 441 B9R1.6 C1COC(CO1)C(=O)O S587772 [0,0,1,1,0,0|2,0,0]=4 442 B9R1.6 C1COCC(N1)C(=O)O M194498 [0,0,1,1,0,0|2,0,0]=4 443 B9R1.6 C1COCCC1C(=O)Cl T170160 [0,0,1,1,0,0|2,0,0]=4 444 B9R1.6 C1COCCC1C(=O)O T161847 [0,0,1,1,0,0|1,0,0]=3 445 B9R1.6 C1CSCCC1C(=O)O T178063 [0,0,1,1,0,0|1,0,0]=3 446 B9R1.6 CC(=O)C1CCCCC1 C139296 [0,0,1,1,0,0|1,0,0]=3 447 B9R1.6 CC(=O)N1CCCCC1 A151604 [0,0,1,1,0,0|2,0,0]=4 448 B9R1.6 CC(C1CCCCC1)O C166344 [0,0,1,1,0,0|1,0,1]=4 449 B9R1.83 CCCCCCC1CO1 E113793 [0,0,1,1,0,0|1,0,1]=4 450 B9R2.39 C1CC2CC1CC2=O N158897 [1,0,0,1,0,0|1,0,0]=3 451 B11R2.34 C1CC1N2CCC(=O)CC2 C121571 [0,0,0,1,0,1|2,0,0]=4 452 B11R2.1 C1CNCC2C1CNC2=O A177765 [0,1,0,1,0,0|2,0,0]=4 453 B11R2.10 C1CCC2C(C1)NC(=O)N2 C341579 [0,1,0,1,0,0|2,0,0]=4 454 B11R2.139 C1C2CC(=O)CC2CC1=O I170737 [0,1,0,1,0,0|1,0,1]=4 455 B11R2.139 C1C2CC(=O)CC2CC1=O T590061 [0,1,0,1,0,0|1,0,1]=4 456 B7R0.5 CC(=O)N(C)CCO N167555 [0,0,1,0,1,0|2,0,0]=4 457 B7R0.5 CCCC(=O)C(=O)C H106696 [0,0,1,0,1,0|1,0,1]=4 458 B7R0.5 CCCC(C(=O)O)Br B152768 [0,0,1,0,1,0|2,0,0]=4 459 B7R0.5 CCCC(C(=O)O)N N100542 [0,0,1,0,1,0|2,0,0]=4 460 B7R0.5 CCCC(C(=O)O)N N106191 [0,0,1,0,1,0|2,0,0]=4 461 B7R0.5 CCCC(C(=O)O)N N106215 [0,0,1,0,1,0|2,0,0]=4 462 B7R0.5 CCCC(C(=O)O)O S193305 [0,0,1,0,1,0|2,0,0]=4 463 B7R0.5 CCCC(C(=O)[O-])O B301319 [0,0,1,0,1,0|2,0,0]=4 464 B7R0.5 CCCC(C)C(=O)C M158798 [0,0,1,0,1,0|0,0,0]=2 465 B7R0.5 CCCC(C)C(=O)O B300596 [0,0,1,0,1,0|1,0,0]=3 466 B7R0.5 CCCC(C)C(=O)O M117868 [0,0,1,0,1,0|1,0,0]=3 467 B7R0.5 CCCC(C)C(=O)O M427193 [0,0,1,0,1,0|1,0,0]=3 468 B7R0.5 CCCC(C)C(C)C D155209 [0,0,1,0,1,0|1,0,1]=4 469 B7R0.5 CCSC(C)C(=O)O E168418 [0,0,1,0,1,0|2,0,0]=4 470 B7R1.10 C1C(CC1=O)CO H175239 [1,0,0,0,1,0|2,0,0]=4