0 B9R0.48 C=C(C)CCC(=O)OCC E69099 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,0,0,0,0,0|1,0,1]=2 2 B9R0.48 CCOC(=O)CNC(C)=O E68877 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.48 CCOC(=O)\C=C\N(C)C E16630 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.48 CCOC(=O)\C=C\N(C)C E68121 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.1 CCOC(=O)CCC#N E63052 [1,0,0,0,0,0|1,0,1]=3 6 B8R0.1 CCOC(=O)CCCBr B69333 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.1 CCOC(=O)CCCI E31893 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.1 CCOC(=O)CCCN E43487 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.1 CCOC(=O)CCNC E41584 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.1 CCOC(=O)CCSC E39202 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.1 CCOC(=O)\C=C\CBr E43399 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.1 CCOCC(=O)OCC E41554 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.7 CCCCCC[C@@H](C)O X47207 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.7 CCNCCCN(C)C E11170 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.9 COC(=O)CCC(=O)Cl C6883 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.9 COC(=O)CCC(=O)O M37827 [1,0,0,0,0,0|2,0,1]=4 17 B10R0.26 CCOC(=O)CC(=O)C(C)C E47096 [0,1,0,0,0,0|0,0,1]=2 18 B10R0.26 CCOC(=O)CC(=O)C(F)F E43313 [0,1,0,0,0,0|2,0,1]=4 19 B10R0.108 CCOC(=O)CNC(=O)OC E41521 [0,1,0,0,0,0|2,0,1]=4 20 B10R0.109 CCOC(=O)CCC(F)(F)F E64198 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.63 CC1(C)CCC(=O)CC1=O D47019 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.138 CCCC(=O)OC[C@H]1CO1 G39289 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.140 CCOC(=O)C1CC(=O)C1 E1322 [0,0,0,1,0,0|1,0,1]=3 24 B10R1.140 CCOC(=O)C1CC(N)C1 E46491 [0,0,0,1,0,0|1,0,0]=2 25 B10R1.140 CCOC(=O)C1CC(O)C1 SB8081 [0,0,0,1,0,0|1,0,0]=2 26 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 E13475 [0,0,0,1,0,0|1,0,0]=2 27 B10R1.140 CCOC(=O)[C@H]1C[C@H](O)C1 E10943 [0,0,0,1,0,0|1,0,0]=2 28 B8R0.5 CC(C)OC(=O)OCCl C68871 [0,0,0,0,1,0|2,0,0]=3 29 B8R0.5 CC(C)OC(=O)OCI K62369 [0,0,0,0,1,0|2,0,0]=3 30 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [0,0,0,0,1,0|2,0,1]=4 31 B8R0.5 CCOC(=O)CC(N)=O E38643 [0,0,0,0,1,0|2,0,1]=4 32 B8R0.5 CCOC(=O)CC(N)=S E6802 [0,0,0,0,1,0|2,0,1]=4 33 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [0,0,0,0,1,0|1,0,0]=2 34 B8R0.5 CCOC(=O)C[C@H](C)N E43492 [0,0,0,0,1,0|1,0,0]=2 35 B8R0.5 CCOC(=O)C[C@H](C)N E61042 [0,0,0,0,1,0|1,0,0]=2 36 B8R0.5 COCC(=O)OC(C)C P65707 [0,0,0,0,1,0|3,0,0]=4 37 B10R0.3 C=C(C)CCCC(=O)OCC E50504 [0,0,0,0,0,1|0,0,2]=3 38 B10R0.3 CCOC(=O)CCCC(=O)O E43824 [0,0,0,0,0,1|2,0,1]=4 39 B10R0.3 CCOC(=O)CCCC(C)=O E47092 [0,0,0,0,0,1|1,0,1]=3 40 B7R0.3 CCCCC(=O)NN P40425 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.3 CCCOC(=O)OC M40388 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.3 CNCCC(=O)OC M40412 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.3 COC(=N)CCCCl M40379 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.3 COC(=O)CCCBr M39189 [2,0,0,0,0,0|1,0,0]=3 46 B7R0.3 COC(=O)CCCCl M60517 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.3 COC(=O)CCCN M32376 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.7 CC#CC(=O)OCC E36835 [2,0,0,0,0,0|0,0,2]=4 49 B7R0.7 CCNC(=O)NCC D40424 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.7 CCOC(=O)CCBr E39188 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.7 CCOC(=O)CCI E41273 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.7 CCOC(=O)CCO E36682 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.7 CCOC(=O)CNC S69399 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.7 CCOC(=O)CNN E67459 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.7 CCOC(=O)CSC E40386 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.7 CCOC(=O)OCCl C38646 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.4 CC(C)CCCCBr B43898 [2,0,0,0,0,0|1,0,1]=4 58 B7R0.4 CCCCC[C@H](C)O H43947 [2,0,0,0,0,0|1,0,1]=4 59 B7R0.6 CC(=O)CCC(C)=O H64912 [2,0,0,0,0,0|1,0,1]=4 60 B7R0.6 CC(=O)NNC(C)C P40426 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.6 CN(C)CCC(=O)O D41335 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.6 O=C(O)CCC(F)F D59737 [2,0,0,0,0,0|2,0,0]=4 63 B9R0.5 CCC=CCC(=O)OCC E47083 [1,1,0,0,0,0|0,0,1]=3 64 B9R0.5 CCCC=CC(=O)OCC E47082 [1,1,0,0,0,0|0,0,1]=3 65 B9R0.5 CCOC(=O)CCCCBr E39295 [1,1,0,0,0,0|0,0,0]=2 66 B9R0.5 CCOC(=O)CCCCN E46517 [1,1,0,0,0,0|0,0,0]=2 67 B9R0.5 CCOC(=O)CCC[Zn]I E31894 [1,1,0,0,0,0|1,0,0]=3 68 B9R0.5 CCOC(=O)CCN=[N+]=[N-] E5007 [1,1,0,0,0,0|2,0,0]=4 69 B9R0.5 CCOC(=O)COCCCl E41531 [1,1,0,0,0,0|1,0,0]=3 70 B9R0.5 CCOC=CC(=O)OCC E43814 [1,1,0,0,0,0|0,0,2]=4 71 B9R0.5 CCO\C=C\C(=O)OCC E43813 [1,1,0,0,0,0|0,0,2]=4 72 B9R0.34 CCOC(=O)CC(=O)CC E43812 [1,1,0,0,0,0|0,0,1]=3 73 B9R0.34 CCOC(=O)CC(=O)CCl E64939 [1,1,0,0,0,0|1,0,1]=4 74 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [1,1,0,0,0,0|1,0,0]=3 75 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [1,1,0,0,0,0|1,0,0]=3 76 B9R0.35 CCCC(=O)C(=O)OCC E43810 [1,1,0,0,0,0|0,0,1]=3 77 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [1,1,0,0,0,0|0,0,0]=2 78 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [1,1,0,0,0,0|0,0,0]=2 79 B9R0.35 CCOC(=N)C(=O)OCC E32050 [1,1,0,0,0,0|1,0,1]=4 80 B9R0.21 COC(=O)CCC(Cl)(Cl)Cl M41178 [1,1,0,0,0,0|2,0,0]=4 81 B9R0.23 CCC(=O)[C@@H](C)CN(C)C D47174 [1,1,0,0,0,0|1,0,0]=3 82 B9R0.23 COC(=O)[C@@H](N)CC(C)C M68966 [1,1,0,0,0,0|0,0,0]=2 83 B9R0.23 COC(=O)[C@@H](O)CC(C)C M61122 [1,1,0,0,0,0|0,0,0]=2 84 B9R0.23 COC(=O)[C@H](N)CC(C)C M68964 [1,1,0,0,0,0|0,0,0]=2 85 B9R0.24 COC(=O)CCC(=O)CN M68150 [1,1,0,0,0,0|1,0,1]=4 86 B9R0.42 CCC(=O)O[C@@H](Cl)C(C)C C38219 [1,1,0,0,0,0|1,0,0]=3 87 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br B38137 [0,1,0,0,1,0|1,0,1]=4 88 B9R0.6 CCOC(=O)[C@@H](C)C(C)=O E67659 [0,1,0,0,1,0|1,0,1]=4 89 B9R0.6 CCOC(=O)[C@@H](Cl)C(C)=O E69127 [0,1,0,0,1,0|1,0,1]=4 90 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O E38383 [0,1,0,0,1,0|1,0,1]=4 91 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O E38566 [0,1,0,0,1,0|1,0,0]=3 92 B9R0.6 CCOC(=O)[C@H](N)C(C)C E46519 [0,1,0,0,1,0|0,0,0]=2 93 B9R0.44 CCNC(=O)OC(C)(C)C B43922 [0,1,0,0,1,0|2,0,0]=4 94 B9R0.44 CCOC(=O)CC(C)(C)N E38783 [0,1,0,0,1,0|0,0,0]=2 95 B9R0.44 CCOC(=O)CC(C)(C)O E43891 [0,1,0,0,1,0|0,0,0]=2 96 B9R0.44 CCOC(=O)CC(F)(F)F E41180 [0,1,0,0,1,0|2,0,0]=4 97 B9R0.44 CCOC(=O)C[Si](C)(C)C E43949 [0,1,0,0,1,0|0,1,0]=3 98 B9R0.53 CC(C)OC(=O)OC(C)C D38665 [0,1,0,0,1,0|1,0,0]=3 99 B9R0.53 CC(C)OC(=O)O[C@H](C)Cl C39199 [0,1,0,0,1,0|1,0,0]=3 100 B9R0.53 CC(Cl)OC(=O)OC(C)Cl B41230 [0,1,0,0,1,0|2,0,0]=4 101 B11R0.180 CCCC(=O)SCC[N+](C)(C)C B64927 [0,1,0,0,0,1|2,0,0]=4 102 B11R0.54 CCOC(=O)C[C@H](C)C(F)(F)F E61052 [0,2,0,0,0,0|2,0,0]=4 103 B11R0.54 CCOC(=O)C[C@H](O)C(F)(F)F E64793 [0,2,0,0,0,0|2,0,0]=4 104 B11R0.186 CCOC(=O)C(=O)CC(C)(C)C D2013 [0,2,0,0,0,0|0,0,1]=3 105 B11R0.186 CCOC(=O)C(=O)OC(C)(C)C E12156 [0,2,0,0,0,0|1,0,1]=4 106 B11R0.186 CCOC(=O)[C@@H](N)CC(C)(C)F E65894 [0,2,0,0,0,0|0,0,0]=2 107 B11R0.85 CC(C)CCC(=O)CCN(C)C D53347 [0,2,0,0,0,0|1,0,0]=3 108 B11R0.34 CC(C)NNC(=O)OC(C)(C)C B47202 [0,2,0,0,0,0|2,0,0]=4 109 B11R0.34 C[C@@H](N)CNC(=O)OC(C)(C)C B47199 [0,2,0,0,0,0|2,0,0]=4 110 B11R0.34 C[C@H](N)CNC(=O)OC(C)(C)C B47198 [0,2,0,0,0,0|2,0,0]=4 111 B11R0.34 C[C@H](N)CNC(=O)OC(C)(C)C B47200 [0,2,0,0,0,0|2,0,0]=4 112 B11R0.34 C[C@H](N)CNC(=O)OC(C)(C)C B49591 [0,2,0,0,0,0|2,0,0]=4 113 B11R0.34 C[C@H](O)CNC(=O)OC(C)(C)C B47182 [0,2,0,0,0,0|2,0,0]=4 114 B9R1.2 CCN1CCNC(=O)C1 E43465 [1,0,0,1,0,0|2,0,0]=4 115 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [1,0,0,1,0,0|2,0,0]=4 117 B9R1.33 NCCN1CCOC1=O A61391 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.49 CN1CCNC(=O)CC1 M10175 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.50 O=C1CCCCCCC1 C67881 [1,0,0,1,0,0|1,0,0]=3 120 B9R1.50 O=C1CCCCCCN1 A69570 [1,0,0,1,0,0|1,0,0]=3 121 B9R1.73 CCOC(=N)C1CCC1 E64744 [1,0,0,1,0,0|1,0,0]=3 122 B9R1.73 CCOC(=O)C1CNC1 E0677 [1,0,0,1,0,0|1,0,0]=3 123 B9R1.75 CCOC(=O)CC1CC1 E29877 [1,0,0,1,0,0|0,0,0]=2 124 B9R1.10 CC1(C)C=CC(=O)CC1 D47014 [1,0,0,1,0,0|0,0,2]=4 125 B9R1.10 CC1(C)CCC(=O)CC1 D23641 [1,0,0,1,0,0|0,0,0]=2 126 B9R1.10 CC1(C)CCC(N)CC1 D22258 [1,0,0,1,0,0|1,0,1]=4 127 B9R1.10 CC1(C)CCC(O)CC1 D26593 [1,0,0,1,0,0|0,0,2]=4 128 B9R1.10 CC1(C)CNC(=O)CN1 D25392 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.10 CC1(C)OCC(=O)CO1 D25156 [1,0,0,1,0,0|2,0,0]=4 130 B9R1.10 O=C1CCC(F)(F)CC1 D5709 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.35 CC(C)[C@@H]1COC(=O)N1 P26884 [1,0,0,1,0,0|1,0,0]=3 132 B9R1.35 CC(C)[C@H]1COC(=O)N1 P41504 [1,0,0,1,0,0|1,0,0]=3 133 B9R1.82 C=C1CC(C(=O)OC)C1 M12361 [1,0,0,1,0,0|0,0,2]=4 134 B9R1.82 COC(=O)C1CC(=O)C1 M0192 [1,0,0,1,0,0|1,0,1]=4 135 B9R1.82 COC(=O)C1CC(Br)C1 M10924 [1,0,0,1,0,0|1,0,0]=3 136 B9R1.82 COC(=O)C1CC(Cl)C1 M11851 [1,0,0,1,0,0|1,0,0]=3 137 B9R1.82 COC(=O)C1CC(N)C1 M13744 [1,0,0,1,0,0|1,0,0]=3 138 B9R1.82 COC(=O)C1CC(O)C1 M0318 [1,0,0,1,0,0|1,0,0]=3 139 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 SB7472 [1,0,0,1,0,0|1,0,0]=3 140 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 M11400 [1,0,0,1,0,0|1,0,0]=3 141 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 M10932 [1,0,0,1,0,0|1,0,0]=3 142 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 M1703 [1,0,0,1,0,0|1,0,0]=3 143 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SB7980 [1,0,0,1,0,0|1,0,0]=3 144 B9R1.138 CC1(C)COC(=O)[C@H]1O H41475 [1,0,0,1,0,0|2,0,0]=4 145 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [0,0,0,1,1,0|2,0,0]=4 146 B9R1.38 CC1(C)CC(=O)OC1=O D67953 [0,0,0,1,1,0|1,0,1]=4 147 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [0,0,0,1,1,0|2,0,0]=4 148 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,0,0,1,1,0|2,0,0]=4 149 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,0,0,1,1,0|1,0,0]=3 150 B11R1.15 CCOC(=O)N1CCC(=O)C1 E1177 [0,0,0,1,0,1|1,0,1]=4 151 B11R1.15 CCOC(=O)[C@@H]1CNC(=O)C1 E43778 [0,0,0,1,0,1|1,0,1]=4 152 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 E62122 [0,0,0,1,0,1|1,0,0]=3 153 B11R1.15 CCOC(=O)[C@H]1CCC(=O)C1 E11055 [0,0,0,1,0,1|1,0,1]=4 154 B11R1.15 CCOC(=O)[C@H]1C[C@H](F)CN1 E10905 [0,0,0,1,0,1|1,0,0]=3 155 B11R1.201 CCOC(=O)CC1CC(O)C1 E11673 [0,0,0,1,0,1|1,0,0]=3 156 B11R1.201 CCOC(=O)C[C@H]1C[C@@H](O)C1 E14840 [0,0,0,1,0,1|1,0,0]=3 157 B11R1.201 CCOC(=O)C[C@H]1C[C@H](O)C1 E14839 [0,0,0,1,0,1|1,0,0]=3 158 B11R1.645 CC(C)CN1CC(=O)OC1=O B43775 [0,0,0,1,0,1|1,0,1]=4 159 B11R1.645 CC(C)C[C@@H]1NC(=O)OC1=O B43777 [0,0,0,1,0,1|1,0,1]=4 160 B11R1.839 CCOC(=O)C[C@H]1CC1(F)F E19360 [0,0,0,1,0,1|2,0,0]=4 161 B11R1.74 CC(C)C1CC(=O)CC(=O)C1 P61959 [0,1,0,1,0,0|1,0,1]=4 162 B11R1.334 CCOC(=O)CC(=O)C1CC1 E37822 [0,1,0,1,0,0|0,0,1]=3 163 B11R1.86 CC(C)CN1CCCCC1=O M67602 [0,1,0,1,0,0|2,0,0]=4 164 B11R1.86 CN(C)C[C@H]1CCCCC1=O D50529 [0,1,0,1,0,0|2,0,0]=4 165 B11R1.86 CN(C)C[C@H]1CCCCC1=O D52201 [0,1,0,1,0,0|2,0,0]=4 166 B11R1.351 CCOC(=O)C(=O)CC1CC1 C2015 [0,1,0,1,0,0|0,0,1]=3 167 B11R1.821 CCOC(=O)C1CC(F)(F)C1 E43723 [0,1,0,1,0,0|1,0,0]=3 168 B11R1.833 CCOC(=O)C1(C)CC(=O)C1 E14828 [0,1,0,1,0,0|1,0,1]=4 169 B11R1.833 CCOC(=O)[C@]1(C)C[C@@H](N)C1 E14830 [0,1,0,1,0,0|1,0,0]=3 170 B11R1.833 CCOC(=O)[C@]1(C)C[C@@H](O)C1 E14833 [0,1,0,1,0,0|1,0,0]=3 171 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](N)C1 E14831 [0,1,0,1,0,0|1,0,0]=3 172 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](O)C1 E14832 [0,1,0,1,0,0|1,0,0]=3 173 B11R1.289 CCOC(=O)C#CC1COC1 E59722 [0,1,0,1,0,0|0,0,2]=4 174 B11R2.613 CC1(C)C2C(=O)OC(=O)C21 D46258 [0,0,0,2,0,0|1,0,1]=4 175 B7R0.2 CC(C)NC(=O)CCl P40378 [1,0,0,0,1,0|2,0,0]=4 176 B7R0.2 CC(C)OC(=O)CO I38145 [1,0,0,0,1,0|2,0,0]=4 177 B7R0.2 CCC(=O)CC(C)=O H69646 [1,0,0,0,1,0|1,0,1]=4 178 B7R0.2 COC(=O)C=C(C)C M41461 [1,0,0,0,1,0|0,0,2]=4 179 B7R0.2 COC(=O)C[C@@H](C)N M41333 [1,0,0,0,1,0|1,0,0]=3 180 B7R0.2 COC(=O)C[C@@H](C)O M68364 [1,0,0,0,1,0|1,0,0]=3 181 B7R0.2 COC(=O)C[C@H](C)O M37970 [1,0,0,0,1,0|1,0,0]=3 182 B7R0.5 CC(C)C(=O)OCCl C24559 [0,0,0,0,2,0|1,0,0]=3 183 B7R0.5 CCOC(=O)C(C)=O E60800 [0,0,0,0,2,0|1,0,1]=4 184 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,0,0,0,2,0|1,0,0]=3 185 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,0,0,0,2,0|1,0,0]=3 186 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,0,0,0,2,0|1,0,0]=3 187 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,0,0,0,2,0|1,0,0]=3