0 B9R0.37 CCN(CC)C(=O)CC#N C43790 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.37 CCOC(=O)C(C=O)C=O E8184 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.37 CCOC(=O)C(CO)CO E64559 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.37 CCOC(=O)[C@@H](C#N)CC E43773 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.3 C=C(CBr)C(=O)OCC E43400 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.3 C=C(CO)C(=O)OCC E41470 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.3 CCOC(=O)C(=O)CBr E15776 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.3 CCOC(=O)C(=O)CBr E2491 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.3 CCOC(=O)C(=O)CC E67705 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.3 CCOC(=O)[C@@H](Br)CBr E39185 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [1,0,0,0,0,0|0,0,0]=1 11 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.3 CCOC(=O)[C@@H](N)CS C64730 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.3 CCOC(=O)[C@H](C)C#N E43380 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.11 CCCC[C@H](CC)CBr E67613 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.11 CCCC[C@H](CC)CO E60781 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.11 CCCC[C@H](CC)C[Mg+] E31710 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.20 COC(=O)C(CN)CN M41391 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.20 COC(=O)C(OC)OC M40396 [1,0,0,0,0,0|2,0,0]=3 22 B10R0.33 CCOC(=O)[C@@H](C#N)CC#N E45998 [0,1,0,0,0,0|1,0,2]=4 23 B10R0.101 CCOC(=O)[C@@H](CC)C(C)=O E47095 [0,1,0,0,0,0|0,0,1]=2 24 B10R1.11 CCOC(=O)[C@@H]1CCCO1 E43818 [0,0,0,1,0,0|1,0,0]=2 25 B10R1.11 CCOC(=O)[C@@H]1CSCN1 E61537 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.11 CCOC(=O)[C@H]1CCCN1 E37266 [0,0,0,1,0,0|1,0,0]=2 27 B10R1.11 CCOC(=O)[C@H]1CCNC1 E25456 [0,0,0,1,0,0|1,0,0]=2 28 B10R1.11 N#CCC(=O)C1CCCC1 C10418 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.405 CCOC(=O)C1(C#N)CC1 E46411 [0,0,0,1,0,0|1,0,1]=3 30 B10R1.405 CCOC(=O)C1(CN)CC1 E65512 [0,0,0,1,0,0|1,0,0]=2 31 B10R1.405 CCOC(=O)C1(CO)CC1 E43821 [0,0,0,1,0,0|1,0,0]=2 32 B7R0.5 CC(C)C(=O)OCCl C24559 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.5 CCOC(=O)C(C)=O E60800 [2,0,0,0,0,0|1,0,1]=4 34 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.5 CCOC(=O)[C@H](C)F E41270 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.5 CCOC(=O)[C@H](C)S E40385 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.7 CC#CC(=O)OCC E36835 [2,0,0,0,0,0|0,0,2]=4 39 B7R0.7 CCNC(=O)NCC D40424 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.7 CCOC(=O)CCBr E39188 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.7 CCOC(=O)CCI E41273 [2,0,0,0,0,0|1,0,0]=3 42 B7R0.7 CCOC(=O)CCO E36682 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.7 CCOC(=O)CNC S69399 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.7 CCOC(=O)CNN E67459 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.7 CCOC(=O)CSC E40386 [2,0,0,0,0,0|1,0,0]=3 46 B7R0.7 CCOC(=O)OCCl C38646 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.10 CCC(=O)C(=O)CC H41459 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.10 CCC(=O)N(C)OC M40411 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.10 CC[C@H](N)C(=O)OC M40408 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.10 CC[C@H](N)C(=O)OC M41330 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.10 CC[C@H](N)C(=O)OC M41334 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.10 COC(=O)[C@@H](C)CO M25480 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.10 COC(=O)[C@@H](F)CO M60918 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.10 COC(=O)[C@@H](N)CO M68693 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.10 COC(=O)[C@@H](N)CO S64541 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.10 COC(=O)[C@@H](O)CN M61501 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.10 COC(=O)[C@@H](O)CO M40259 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.10 COC(=O)[C@H](C)CO M40393 [2,0,0,0,0,0|1,0,0]=3 65 B7R0.10 COC(=O)[C@H](N)CCl M69012 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.10 COC(=O)[C@H](N)CS M69349 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.10 COC(=O)[C@H](O)CO M40258 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.15 CCC(CC)C(=O)[O-] M43580 [2,0,0,0,0,0|0,0,1]=3 69 B7R0.15 O=C(O)C(CBr)CBr B40213 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.15 O=C(O)C(CS)CS M67176 [2,0,0,0,0,0|2,0,0]=4 71 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br B38137 [1,1,0,0,0,0|1,0,1]=4 72 B9R0.6 CCOC(=O)[C@@H](C)C(C)=O E67659 [1,1,0,0,0,0|0,0,1]=3 73 B9R0.6 CCOC(=O)[C@@H](Cl)C(C)=O E69127 [1,1,0,0,0,0|1,0,1]=4 74 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O E38383 [1,1,0,0,0,0|1,0,1]=4 75 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O E38566 [1,1,0,0,0,0|1,0,0]=3 76 B9R0.6 CCOC(=O)[C@H](C)[N+](=O)[O-] E62825 [1,1,0,0,0,0|2,0,0]=4 77 B9R0.6 CCOC(=O)[C@H](N)C(C)C E46519 [1,1,0,0,0,0|1,0,0]=3 78 B9R0.19 CCOC(=O)C(C)(C)CN E46520 [1,1,0,0,0,0|1,0,0]=3 79 B9R0.19 CCOC(=O)C(C)(C)CO E43892 [1,1,0,0,0,0|1,0,0]=3 80 B9R0.23 CC(C)OC(=O)[C@@H](N)CO S60921 [1,1,0,0,0,0|2,0,0]=4 81 B9R0.35 CCCC(=O)C(=O)OCC E43810 [1,1,0,0,0,0|1,0,1]=4 82 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [1,1,0,0,0,0|0,0,0]=2 83 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [1,1,0,0,0,0|1,0,0]=3 84 B9R0.35 CCOC(=N)C(=O)OCC E32050 [1,1,0,0,0,0|1,0,1]=4 85 B9R0.69 COC(=O)C(C)(OC)OC M41563 [1,1,0,0,0,0|2,0,0]=4 86 B11R0.57 C=CC[C@@H](C(C)=O)C(=O)OCC E66094 [0,2,0,0,0,0|0,0,2]=4 87 B11R0.61 CCOC(=O)C(OCC)OCC E28530 [0,2,0,0,0,0|0,0,0]=2 88 B11R0.191 CCCC[C@H](CC)C(=O)OCC E53338 [0,2,0,0,0,0|0,0,0]=2 89 B9R1.5 CN1CCCCCC1=O M39292 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.5 N[C@H]1CCCCNC1=O A24830 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.5 N[C@H]1CCCCNC1=O A43463 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.73 CCOC(=N)C1CCC1 E64744 [1,0,0,1,0,0|1,0,0]=3 94 B9R1.73 CCOC(=O)C1CNC1 E0677 [1,0,0,1,0,0|1,0,0]=3 95 B9R1.74 CCOC(=O)C1(Br)CC1 E26278 [1,0,0,1,0,0|1,0,0]=3 96 B9R1.74 CCOC(=O)C1(C)CC1 E43807 [1,0,0,1,0,0|0,0,0]=2 97 B9R1.74 CCOC(=O)C1(N)CC1 E67975 [1,0,0,1,0,0|1,0,0]=3 98 B9R1.74 CCOC(=O)C1(O)CC1 E19212 [1,0,0,1,0,0|1,0,0]=3 99 B9R1.81 COC(=O)C1CNC1C M21134 [1,0,0,1,0,0|1,0,0]=3 100 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N M10731 [1,0,0,1,0,0|1,0,0]=3 101 B11R1.30 CCOC(=O)C[C@H]1CCCO1 E47100 [0,0,0,1,0,1|1,0,0]=3 102 B11R1.30 CCOC(=O)C[C@H]1CCNC1 E15030 [0,0,0,1,0,1|1,0,0]=3 103 B11R1.404 COC1(OC)CCOCC1=O D1903 [0,1,0,1,0,0|2,0,0]=4 104 B11R1.15 CCOC(=O)N1CCC(=O)C1 E1177 [0,1,0,1,0,0|1,0,1]=4 105 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 P69422 [0,1,0,1,0,0|1,0,1]=4 106 B11R1.15 CCOC(=O)[C@@H]1CNC(=O)C1 E43778 [0,1,0,1,0,0|1,0,1]=4 107 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 E62122 [0,1,0,1,0,0|1,0,0]=3 108 B11R1.15 CCOC(=O)[C@H]1CCC(=O)C1 E11055 [0,1,0,1,0,0|0,0,1]=3 109 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 E38583 [0,1,0,1,0,0|1,0,1]=4 110 B11R1.15 CCOC(=O)[C@H]1C[C@H](F)CN1 E10905 [0,1,0,1,0,0|1,0,0]=3 111 B11R1.16 CCCC(=O)N1CCNCC1 P63909 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.16 CCOC(=O)C1CCNCC1 E29669 [0,1,0,1,0,0|0,0,0]=2 113 B11R1.16 CCOC(=O)C1CCNCC1 P28285 [0,1,0,1,0,0|0,0,0]=2 114 B11R1.16 CCOC(=O)C1CCOCC1 E47102 [0,1,0,1,0,0|0,0,0]=2 115 B11R1.16 CCOC(=O)C1OCCCO1 D10084 [0,1,0,1,0,0|1,0,0]=3 116 B11R1.16 CCOC(=O)C1SCCCS1 D10076 [0,1,0,1,0,0|1,0,0]=3 117 B11R1.16 CCOC(=O)N1CCCCC1 E47120 [0,1,0,1,0,0|1,0,0]=3 118 B11R1.16 CCOC(=O)N1CCNCC1 E39297 [0,1,0,1,0,0|1,0,0]=3 119 B11R1.16 CCOC(=O)[C@@H]1CCC=CO1 E25573 [0,1,0,1,0,0|0,0,2]=4 120 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E47117 [0,1,0,1,0,0|0,0,0]=2 121 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49565 [0,1,0,1,0,0|0,0,0]=2 122 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49567 [0,1,0,1,0,0|0,0,0]=2 123 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 E63418 [0,1,0,1,0,0|0,0,0]=2 124 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 D21711 [0,1,0,1,0,0|0,0,0]=2 125 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E1816 [0,1,0,1,0,0|0,0,0]=2 126 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E22645 [0,1,0,1,0,0|0,0,0]=2 127 B11R1.16 CCOC(=O)[C@@H]1CNCCN1 E46602 [0,1,0,1,0,0|1,0,0]=3 128 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 E43856 [0,1,0,1,0,0|1,0,0]=3 129 B11R1.16 CCOC(=O)[C@@H]1COCCN1 E46494 [0,1,0,1,0,0|1,0,0]=3 130 B11R1.16 CCOC(=O)[C@H]1CCCNC1 D25574 [0,1,0,1,0,0|0,0,0]=2 131 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E1843 [0,1,0,1,0,0|0,0,0]=2 132 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E23938 [0,1,0,1,0,0|0,0,0]=2 133 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E39525 [0,1,0,1,0,0|0,0,0]=2 134 B11R1.199 CCOC(=O)C1CCCC1N E49570 [0,1,0,1,0,0|0,0,0]=2 135 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N E63697 [0,1,0,1,0,0|0,0,0]=2 136 B11R1.199 CCOC(=O)[C@@H]1CCNC1=O X13453 [0,1,0,1,0,0|1,0,1]=4 137 B11R1.199 CCOC(=O)[C@@H]1CCOC1=O E43734 [0,1,0,1,0,0|1,0,1]=4 138 B11R1.199 CCOC(=O)[C@@H]1CNCC1=O E38847 [0,1,0,1,0,0|1,0,1]=4 139 B11R1.199 CCOC(=O)[C@@H]1COCC1=O E43735 [0,1,0,1,0,0|1,0,1]=4 140 B11R1.199 CCOC(=O)[C@@H]1CSCC1=O E13246 [0,1,0,1,0,0|1,0,1]=4 141 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N E69723 [0,1,0,1,0,0|0,0,0]=2 142 B11R1.831 CCOC(=O)C1(C#N)CCC1 E46927 [0,1,0,1,0,0|1,0,1]=4 143 B11R1.831 CCOC(=O)C1(CO)CCC1 E61939 [0,1,0,1,0,0|1,0,0]=3 144 B11R1.835 CCOC(=O)C1(C(=O)O)CC1 E43736 [0,1,0,1,0,0|1,0,1]=4 145 B11R1.835 CCOC(=O)C1(C(C)=O)CC1 E47025 [0,1,0,1,0,0|0,0,1]=3 146 B11R2.3 O=C1NCC[C@]12CCNC2 D10776 [0,0,0,2,0,0|2,0,0]=4 147 B11R2.3 O=C1NCC[C@]12CCNC2 D37515 [0,0,0,2,0,0|2,0,0]=4 148 B11R2.202 O=C1OC(=O)C2CCCC12 T65030 [0,0,0,2,0,0|1,0,1]=4 149 B11R2.63 CN1C2CCC(=O)C1CC2 M14806 [0,0,0,2,0,0|2,0,0]=4 150 B9R0.34 CCOC(=O)CC(=O)CC E43812 [1,0,0,0,0,1|1,0,1]=4 151 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [1,0,0,0,0,1|2,0,0]=4 152 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [1,0,0,0,0,1|2,0,0]=4