0 B9R0.35 CCCC(=O)C(=O)OCC E43810 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.35 CCOC(=N)C(=O)OCC E32050 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.1 C#CCCC(=O)CCO H6251 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.1 CCCC[C@H](N)CCO A62132 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.1 CCOC(=O)CCC#N E63052 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.1 CCOC(=O)CCCBr B69333 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.1 CCOC(=O)CCCI E31893 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.1 CCOC(=O)CCCN E43487 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.1 CCOC(=O)CCNC E41584 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.1 CCOC(=O)CCSC E39202 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.1 CCOCC(=O)OCC E41554 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.3 CCOC(=O)C(=O)CC E67705 [1,0,0,0,0,0|1,0,2]=4 17 B8R0.3 CCOC(=O)[C@@H](Br)CBr E39185 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.3 CCOC(=O)[C@@H](N)CS C64730 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [1,0,0,0,0,0|3,0,0]=4 25 B10R0.19 CCCCC(=O)C(=O)OCC E12153 [0,1,0,0,0,0|1,0,2]=4 26 B10R0.19 CCOC(=O)[C@@H](N)CCCN E63673 [0,1,0,0,0,0|2,0,0]=3 27 B10R0.35 CCOC(=O)C(=O)[C@@H](Br)CC E37425 [0,1,0,0,0,0|1,0,2]=4 28 B10R1.2 CN1C(=O)CCC[C@@H]1CN A27162 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.11 CCOC(=O)[C@@H]1CCCO1 E43818 [0,0,0,1,0,0|1,0,0]=2 30 B10R1.11 CCOC(=O)[C@@H]1CSCN1 E61537 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.11 CCOC(=O)[C@H]1CCCN1 E37266 [0,0,0,1,0,0|2,0,0]=3 32 B10R1.11 CCOC(=O)[C@H]1CCNC1 E25456 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.11 N#CCC(=O)C1CCCC1 C10418 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.140 CCOC(=O)C1CC(N)C1 E46491 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.140 CCOC(=O)C1CC(O)C1 SB8081 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 E13475 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.140 CCOC(=O)[C@H]1C[C@H](O)C1 E10943 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.212 CCOC(=O)[C@@H](Br)C1CC1 E7311 [0,0,0,1,0,0|2,0,0]=3 39 B10R1.401 CCOC(=O)C1(C)CCC1 E61724 [0,0,0,1,0,0|2,0,0]=3 40 B10R0.2 CCCC(=O)CC(=O)OCC E47091 [0,0,0,0,0,1|1,0,2]=4 41 B10R0.2 CCC[C@H](O)CC(=O)OCC E47159 [0,0,0,0,0,1|1,0,0]=2 42 B10R0.2 CCOC(=O)C[C@H](O)CC#N E67509 [0,0,0,0,0,1|2,0,1]=4 43 B7R0.1 CCCCCCCBr B43897 [2,0,0,0,0,0|1,0,1]=4 44 B7R0.1 CCCCCCC[Mg+] H31707 [2,0,0,0,0,0|1,0,1]=4 45 B7R0.3 CCCCC(=O)NN P40425 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.3 CCCOC(=O)OC M40388 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.3 CNCCC(=O)OC M40412 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.3 COC(=O)CCCBr M39189 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.3 COC(=O)CCCCl M60517 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.3 COC(=O)CCCN M32376 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.7 CCC[C@H](N)CCO A43513 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.7 CCNC(=O)NCC D40424 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.7 CCOC(=O)CCBr E39188 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.7 CCOC(=O)CCI E41273 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.7 CCOC(=O)CCO E36682 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.7 CCOC(=O)CNC S69399 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.7 CCOC(=O)CSC E40386 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.7 COCC(=O)COC D40391 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.7 O=C(CCCl)CCCl D67616 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.5 CCC[C@H](O)C(=O)O H40390 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [2,0,0,0,0,0|1,0,0]=3 65 B7R0.5 CCOC(=O)[C@H](C)F E41270 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.5 CCOC(=O)[C@H](C)S E40385 [2,0,0,0,0,0|1,1,0]=4 67 B7R0.5 NCC[C@H](O)C(=O)O A39157 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.10 CCC(=O)C(=O)CC H41459 [2,0,0,0,0,0|0,0,2]=4 69 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.10 CC[C@H](N)C(=O)OC M40408 [2,0,0,0,0,0|2,0,0]=4 72 B7R0.10 CC[C@H](N)C(=O)OC M41330 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.10 CC[C@H](N)C(=O)OC M41334 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.10 COC(=O)[C@@H](O)CN M61501 [2,0,0,0,0,0|2,0,0]=4 75 B7R0.10 COC(=O)[C@@H](O)CO M40259 [2,0,0,0,0,0|2,0,0]=4 76 B7R0.10 COC(=O)[C@H](O)CO M40258 [2,0,0,0,0,0|2,0,0]=4 77 B9R0.5 CCC=CCC(=O)OCC E47083 [1,1,0,0,0,0|1,0,1]=4 78 B9R0.5 CCCC=CC(=O)OCC E47082 [1,1,0,0,0,0|1,0,1]=4 79 B9R0.5 CCOC(=O)CCCCBr E39295 [1,1,0,0,0,0|1,0,0]=3 80 B9R0.5 CCOC(=O)CCCCN E46517 [1,1,0,0,0,0|1,0,0]=3 81 B9R0.5 CCOC(=O)CCC[Zn]I E31894 [1,1,0,0,0,0|2,0,0]=4 82 B9R0.5 CCOC(=O)COCCCl E41531 [1,1,0,0,0,0|2,0,0]=4 83 B9R0.34 CCCC(=O)CC(=O)OC M39290 [1,1,0,0,0,0|1,0,1]=4 84 B9R0.34 CCOC(=O)CC(=O)CC E43812 [1,1,0,0,0,0|1,0,1]=4 85 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [1,1,0,0,0,0|2,0,0]=4 86 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [1,1,0,0,0,0|2,0,0]=4 87 B9R0.48 C=C(C)CCC(=O)OCC E69099 [1,1,0,0,0,0|1,0,1]=4 88 B9R0.48 CCOC(=O)CCC(C)=O E36601 [1,1,0,0,0,0|1,0,1]=4 89 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O E38566 [1,1,0,0,0,0|2,0,0]=4 90 B9R0.6 CCOC(=O)[C@H](N)C(C)C E46519 [1,1,0,0,0,0|2,0,0]=4 91 B9R0.23 CCC(=O)[C@@H](C)CN(C)C D47174 [1,1,0,0,0,0|2,0,0]=4 92 B9R0.23 COC(=O)[C@@H](N)CC(C)C M68966 [1,1,0,0,0,0|2,0,0]=4 93 B9R0.23 COC(=O)[C@@H](O)CC(C)C M61122 [1,1,0,0,0,0|1,0,0]=3 94 B9R0.23 COC(=O)[C@H](N)CC(C)C M68964 [1,1,0,0,0,0|2,0,0]=4 95 B9R0.37 CCOC(=O)C(CO)CO E64559 [1,1,0,0,0,0|2,0,0]=4 96 B9R0.37 CCOC(=O)[C@@H](C#N)CC E43773 [1,1,0,0,0,0|2,0,0]=4 97 B11R0.68 CSCC[C@H](N)C(=O)OC(C)C P61475 [0,2,0,0,0,0|2,0,0]=4 98 B11R0.191 CCCC[C@H](CC)C(=O)OCC E53338 [0,2,0,0,0,0|2,0,0]=4 99 B11R0.247 CCCCC(F)(F)C(=O)OCC E47090 [0,2,0,0,0,0|2,0,0]=4 100 B11R0.186 CCOC(=O)[C@@H](N)CC(C)(C)F E65894 [0,2,0,0,0,0|2,0,0]=4 101 B11R0.61 CCOC(=O)C(OCC)OCC E28530 [0,2,0,0,0,0|2,0,0]=4 102 B9R1.2 CCN1CCNC(=O)C1 E43465 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 M59938 [1,0,0,1,0,0|1,0,1]=4 104 B9R1.2 N#C[C@H]1CCCC(=O)C1 X46385 [1,0,0,1,0,0|1,0,1]=4 105 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.8 BrCCC1OCCCO1 B41524 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.8 CCC[C@H]1CCCCN1 P49580 [1,0,0,1,0,0|1,0,1]=4 110 B9R1.8 [Mg+]CCC1OCCCO1 D31711 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.15 CO[C@H]1COCCC1=O M10506 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.48 O=C1CCCCC(=O)C1 C37584 [1,0,0,1,0,0|1,0,1]=4 114 B9R1.49 CN1CCC[C@H](O)CC1 H12303 [1,0,0,1,0,0|1,0,1]=4 115 B9R1.49 CN1CCNC(=O)CC1 M10175 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [1,0,0,1,0,0|2,0,0]=4 117 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.50 O=C1CCCCCCC1 C67881 [1,0,0,1,0,0|0,0,0]=2 119 B9R1.50 O=C1CCCCCCN1 A69570 [1,0,0,1,0,0|1,0,0]=3 120 B9R1.73 CCOC(=N)C1CCC1 E64744 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.73 CCOC(=O)C1CNC1 E0677 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.73 N#CCC(=O)C1CCC1 C0311 [1,0,0,1,0,0|1,0,1]=4 123 B9R1.75 CCOC(=O)CC1CC1 E29877 [1,0,0,1,0,0|1,0,0]=3 124 B9R1.134 OCCC1(O)CCCC1 H6282 [1,0,0,1,0,0|1,0,1]=4 125 B9R1.3 CC1CCCC(O)C1C D47156 [1,0,0,1,0,0|1,0,1]=4 126 B9R1.3 CN1CCC[C@H](N)C1=O A11570 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.3 CN1CCC[C@H](N)C1=O A14658 [1,0,0,1,0,0|2,0,0]=4 128 B9R1.3 CN1CCC[C@H](N)C1=O A43470 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.5 CN1CCCCCC1=O M39292 [1,0,0,1,0,0|2,0,0]=4 130 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.5 N[C@H]1CCCCNC1=O A24830 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.5 N[C@H]1CCCCNC1=O A43463 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.11 CNC(=O)[C@@H]1CCCN1 M43471 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.11 COC(=O)C1CCCC1 M43805 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.37 CC1CC(=O)C(=O)C1C D43719 [1,0,0,1,0,0|0,0,2]=4 137 B9R1.74 CCOC(=O)C1(Br)CC1 E26278 [1,0,0,1,0,0|2,0,0]=4 138 B9R1.74 CCOC(=O)C1(C)CC1 E43807 [1,0,0,1,0,0|2,0,0]=4 139 B9R1.74 CCOC(=O)C1(N)CC1 E67975 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.74 CCOC(=O)C1(O)CC1 E19212 [1,0,0,1,0,0|1,0,0]=3 141 B9R1.101 COC(=O)[C@@H](N)C1CC1 M43446 [1,0,0,1,0,0|2,0,0]=4 142 B9R1.101 COC(=O)[C@@H](N)C1CC1 M43448 [1,0,0,1,0,0|2,0,0]=4 143 B9R1.186 COC(=O)C1(Br)CCC1 M43401 [1,0,0,1,0,0|2,0,0]=4 144 B9R1.186 COC(=O)C1(N)CCC1 M39051 [1,0,0,1,0,0|2,0,0]=4 145 B11R1.30 CCOC(=O)C[C@H]1CCCO1 E47100 [0,0,0,1,0,1|1,0,0]=3 146 B11R1.199 CCOC(=O)C1CCCC1N E49570 [0,0,0,1,0,1|2,0,0]=4 147 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N E63697 [0,0,0,1,0,1|2,0,0]=4 148 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N E69723 [0,0,0,1,0,1|2,0,0]=4 149 B11R1.840 CCOC(=O)CC1(O)COC1 E21595 [0,0,0,1,0,1|2,0,0]=4 150 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 E62122 [0,1,0,1,0,0|2,0,0]=4 151 B11R1.15 CCOC(=O)[C@H]1C[C@H](F)CN1 E10905 [0,1,0,1,0,0|2,0,0]=4 152 B11R1.16 CCCC(=O)N1CCNCC1 P63909 [0,1,0,1,0,0|2,0,0]=4 153 B11R1.16 CCOC(=O)C1CCNCC1 E29669 [0,1,0,1,0,0|2,0,0]=4 154 B11R1.16 CCOC(=O)C1CCNCC1 P28285 [0,1,0,1,0,0|2,0,0]=4 155 B11R1.16 CCOC(=O)C1CCOCC1 E47102 [0,1,0,1,0,0|2,0,0]=4 156 B11R1.16 CCOC(=O)C1OCCCO1 D10084 [0,1,0,1,0,0|1,0,0]=3 157 B11R1.16 CCOC(=O)C1SCCCS1 D10076 [0,1,0,1,0,0|1,1,0]=4 158 B11R1.16 CCOC(=O)[C@@H]1CCC=CO1 E25573 [0,1,0,1,0,0|1,0,1]=4 159 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E47117 [0,1,0,1,0,0|2,0,0]=4 160 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49565 [0,1,0,1,0,0|2,0,0]=4 161 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49567 [0,1,0,1,0,0|2,0,0]=4 162 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 E63418 [0,1,0,1,0,0|1,0,0]=3 163 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 D21711 [0,1,0,1,0,0|2,0,0]=4 164 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E1816 [0,1,0,1,0,0|2,0,0]=4 165 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E22645 [0,1,0,1,0,0|2,0,0]=4 166 B11R1.16 CCOC(=O)[C@@H]1CNCCN1 E46602 [0,1,0,1,0,0|2,0,0]=4 167 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 E43856 [0,1,0,1,0,0|1,0,0]=3 168 B11R1.16 CCOC(=O)[C@@H]1COCCN1 E46494 [0,1,0,1,0,0|2,0,0]=4 169 B11R1.16 CCOC(=O)[C@H]1CCCNC1 D25574 [0,1,0,1,0,0|2,0,0]=4 170 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E1843 [0,1,0,1,0,0|2,0,0]=4 171 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E23938 [0,1,0,1,0,0|2,0,0]=4 172 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E39525 [0,1,0,1,0,0|2,0,0]=4 173 B11R1.976 CC[C@H]1[C@@H](CO)NC(=O)[C@H]1F E59809 [0,1,0,1,0,0|2,0,0]=4 174 B11R1.86 CC(C)CN1CCCCC1=O M67602 [0,1,0,1,0,0|2,0,0]=4 175 B11R1.86 CN(C)C[C@H]1CCCCC1=O D50529 [0,1,0,1,0,0|2,0,0]=4 176 B11R1.86 CN(C)C[C@H]1CCCCC1=O D52201 [0,1,0,1,0,0|2,0,0]=4 177 B11R1.833 CCOC(=O)[C@]1(C)C[C@@H](N)C1 E14830 [0,1,0,1,0,0|2,0,0]=4 178 B11R1.833 CCOC(=O)[C@]1(C)C[C@@H](O)C1 E14833 [0,1,0,1,0,0|2,0,0]=4 179 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](N)C1 E14831 [0,1,0,1,0,0|2,0,0]=4 180 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](O)C1 E14832 [0,1,0,1,0,0|2,0,0]=4 181 B11R1.831 CCOC(=O)C1(C#N)CCC1 E46927 [0,1,0,1,0,0|2,0,0]=4 182 B11R1.831 CCOC(=O)C1(CO)CCC1 E61939 [0,1,0,1,0,0|1,0,0]=3