0 B7R0.9 CC(=O)CC(C)(C)N SY009235 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.9 CC(C)(C)CB(O)O SY066938 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.9 CC(C)(C)OC(N)=O SY009584 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.9 CC(C)(N)CC(=O)O SY013584 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.9 CC(C)(N)CC(=O)O SY013645 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.9 CC(C)(O)CC(=O)O SY032937 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.9 CS(=O)(=O)CC(=O)O SY003200 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.9 CS(=O)(=O)CC(N)=O SY020025 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.2 CC(=O)C[N+](=O)[O-] SY285532 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.2 CC(=O)NC(C)C SY107538 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.2 CC(Cl)CC(=O)Cl SY222037 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.2 CC(N)CC(=O)O SY022577 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.2 CN(C)CC(=O)O SY001194 [1,0,0,0,0,0|0,0,2]=3 13 B6R0.2 CN(C)CC(=O)O SY005006 [1,0,0,0,0,0|0,0,2]=3 14 B6R0.2 C[C@@H](N)CC(=O)O SY019803 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.2 C[C@@H](N)CC(=O)O SY025783 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.2 C[C@@H](O)CC(=O)[O-] SY107283 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.2 C[C@H](N)CC(=O)O SY022578 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.2 C[C@H](N)CC(=O)O SY025782 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.5 C=CCC(C)(C)N SY264947 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.5 CC(C)(C)CCBr SY031960 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.5 CC(C)(C)CCN SY123555 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.5 CC(C)(C)CON SY149479 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.5 CC(C)(C)CON SY281749 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.5 C[N+](C)(C)CCO SY129307 [1,0,0,0,0,0|0,0,2]=3 25 B6R0.5 C[Si](C)(C)CC#N SY107268 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.5 C[Si](C)(C)CCCl SY201843 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.24 C#CC(=O)OC(C)(C)C SY002105 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.24 C=C(CCl)C[Si](C)(C)C SY248950 [0,1,0,0,0,0|3,0,0]=4 29 B8R0.24 CC(C)(C)NC(=O)CCl SY028778 [0,1,0,0,0,0|3,0,0]=4 30 B8R0.24 CC(C)(C)OC(=O)CI SY029329 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.24 CC(C)(C)OC(=O)CN SY003945 [0,1,0,0,0,0|3,0,0]=4 32 B8R0.24 CC(C)(C)OC(=O)CN SY022366 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.24 CC(C)(C)OC(=O)CO SY025602 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.24 CC(C)(C)OC(=O)NO SY006734 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.24 CNC(=O)OC(C)(C)C SY031549 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.27 CC(C)(C)C(N)C(=O)O SY005401 [0,1,0,0,0,0|1,0,1]=3 37 B8R0.27 CC(C)(C)[C@@H](Br)C(=O)O SY298762 [0,1,0,0,0,0|1,0,1]=3 38 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O SY005390 [0,1,0,0,0,0|1,0,1]=3 39 B8R0.27 CC(C)(C)[C@H](N)C(=O)O SY005391 [0,1,0,0,0,0|1,0,1]=3 40 B8R0.27 CC(C)(C)[C@H](N)C(N)=O SY038326 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.27 CC(C)(O)C(N)C(=O)O SY026436 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O SY026434 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.27 CC(C)(O)[C@H](N)C(=O)O SY026435 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.27 CC(C)(S)C(N)C(=O)O SY049414 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O SY046568 [0,1,0,0,0,0|2,0,1]=4 46 B8R1.42 CC1(CC(=O)O)CC1 SY159474 [0,0,0,1,0,0|1,0,1]=3 47 B8R1.51 CC1(C)CCC(=O)C1 SY043145 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.51 CC1(C)CCC(=O)N1 SY023743 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.51 CC1(C)CNC(=O)C1 SY015235 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.51 CC1(C)CNC(=O)N1 SY273056 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.77 CC1(C)CC1C(N)=O SY284377 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.77 CC1(C)C[C@@H]1C(=O)O SY108102 [0,0,0,1,0,0|1,0,1]=3 53 B8R1.77 CC1(C)C[C@@H]1C(N)=O SY042583 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.77 CC1(C)OC1C(=O)O SY224321 [0,0,0,1,0,0|2,0,1]=4 55 B6R0.7 CC(C)(Br)C(N)=O SY025026 [0,0,0,0,1,0|3,0,0]=4 56 B6R0.7 CC(C)(C)C(=N)N SY011893 [0,0,0,0,1,0|3,0,0]=4 57 B6R0.7 CC(C)(C)C(=O)[O-] SY011635 [0,0,0,0,1,0|1,0,0]=2 58 B6R0.7 CC(C)(C)C(=O)[O-] SY073914 [0,0,0,0,1,0|1,0,0]=2 59 B6R0.7 CC(C)(C)C(=O)[O-] SY224393 [0,0,0,0,1,0|1,0,0]=2 60 B6R0.7 CC(C)(C)C(N)=O SY037452 [0,0,0,0,1,0|2,0,0]=3 61 B6R0.7 CC(C)(C)S(N)=O SY012206 [0,0,0,0,1,0|3,0,0]=4 62 B6R0.7 CC(C)(C)[S@@](N)=O SY008236 [0,0,0,0,1,0|3,0,0]=4 63 B6R0.7 CC(C)(C)[S@](N)=O SY006657 [0,0,0,0,1,0|3,0,0]=4 64 B6R0.7 CC(C)(Cl)C(=O)Cl SY247727 [0,0,0,0,1,0|3,0,0]=4 65 B6R0.7 CC(C)(N)C(=O)O SY002590 [0,0,0,0,1,0|2,0,1]=4 66 B6R0.7 CC(C)(N)C(N)=O SY026852 [0,0,0,0,1,0|3,0,0]=4 67 B6R0.7 CC(C)(O)C(=O)O SY001526 [0,0,0,0,1,0|2,0,1]=4 68 B6R0.7 CC(C)(O)C(N)=O SY035592 [0,0,0,0,1,0|3,0,0]=4 69 B8R0.29 CC(=O)CCC(C)(C)C SY200187 [0,0,0,0,0,1|2,0,0]=3 70 B8R0.29 CC(C)(C)CC[N+](=O)[O-] SY266553 [0,0,0,0,0,1|2,0,0]=3 71 B8R0.29 CC(C)(C)NCC(=O)O SY045863 [0,0,0,0,0,1|1,0,1]=3 72 B8R0.29 CC(C)(C)OCC(=O)O SY040142 [0,0,0,0,0,1|1,0,1]=3 73 B8R0.29 CC(C)(O)CC[N+](=O)[O-] SY266613 [0,0,0,0,0,1|3,0,0]=4 74 B8R0.29 C[Si](C)(C)C#CC(=O)O SY040249 [0,0,0,0,0,1|1,0,2]=4 75 B5R0.1 CN(C)CC=O SY114927 [2,0,0,0,0,0|0,0,1]=3 76 B5R0.1 CNCC(=O)O SY001630 [2,0,0,0,0,0|0,0,2]=4 77 B5R0.1 CNCC(N)=O SY059741 [2,0,0,0,0,0|1,0,1]=4 78 B5R0.1 CSCC(N)=O SY040648 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.4 CC(C)(Br)C=O SY251082 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.4 CC(C)(C)CCl SY048171 [2,0,0,0,0,0|2,0,0]=4 81 B7R0.2 CC(CCl)CC(=O)Cl SY027797 [1,1,0,0,0,0|2,0,0]=4 82 B7R0.2 CCC(C)CC(=O)Cl SY265619 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.2 COC(=O)CC(=O)[O-] SY031346 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.2 O=C([O-])CC(O)CO SY296011 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.2 O=C([O-])C[C@H](O)CO SY293279 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.16 CC(C)C(N)C(N)=O SY047906 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.16 CC(C)[C@@H](Br)C(=O)O SY033749 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.16 CC(C)[C@@H](N)C(=O)O SY002593 [1,1,0,0,0,0|1,0,1]=4 89 B7R0.16 CC(C)[C@@H](N)C(N)=O SY024218 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.16 CC(C)[C@@H](O)C(=O)O SY041974 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.16 CC(C)[C@H](N)C(=O)O SY002589 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.16 CC(C)[C@H](N)C(N)=O SY024217 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.8 C[N+](C)(C)CCCBr SY037983 [1,1,0,0,0,0|1,0,1]=4 94 B7R0.8 C[Si](C)(C)C#CC=O SY029296 [1,1,0,0,0,0|1,0,1]=4 95 B7R0.13 CC(=O)C(C)(C)CO SY143436 [0,1,0,0,1,0|2,0,0]=4 96 B7R0.13 CC(C)(CBr)C(=O)O SY139625 [0,1,0,0,1,0|1,0,1]=4 97 B7R0.13 CC(C)(CCl)C(=O)O SY051586 [0,1,0,0,1,0|1,0,1]=4 98 B7R0.13 CC(C)(CN)C(=O)O SY022797 [0,1,0,0,1,0|1,0,1]=4 99 B7R0.13 CC(C)(CN)C(N)=O SY021307 [0,1,0,0,1,0|2,0,0]=4 100 B7R0.13 CC(C)(CO)C(=O)O SY017233 [0,1,0,0,1,0|1,0,1]=4 101 B7R0.13 COC(C)(C)C(=O)O SY013214 [0,1,0,0,1,0|1,0,1]=4 102 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O SY035333 [0,1,0,0,0,1|1,0,1]=4 103 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C SY022000 [0,2,0,0,0,0|1,0,1]=4 104 B9R0.25 COC(=O)[C@H](N)C(C)(C)C SY022621 [0,2,0,0,0,0|1,0,1]=4 105 B9R0.44 CCOC(=O)CC(C)(C)C SY049764 [0,2,0,0,0,0|1,0,1]=4 106 B9R0.32 CC(C)(CN)C(O)C(=O)O SY265764 [0,2,0,0,0,0|1,0,1]=4 107 B7R1.2 CC1CCC(=O)C1 SY003033 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.2 CC1CNC(=O)C1 SY065050 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.20 O=C(Cl)CC1CC1 SY237128 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.19 CC1(C(=O)O)CC1 SY003983 [0,0,0,1,1,0|1,0,1]=4 111 B7R1.19 CC1(C(N)=O)CC1 SY096633 [0,0,0,1,1,0|2,0,0]=4 112 B9R1.10 CC1(C)CCC(=O)CC1 SY004624 [0,0,0,1,0,1|2,0,0]=4 113 B9R1.164 CC1(C)CC(C(=O)O)C1 SY042064 [0,0,0,1,0,1|1,0,1]=4 114 B9R1.66 CC1(C)CC(=O)CCN1 SY030979 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.66 CC1(C)CC(=O)CCO1 SY006372 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.138 CC1(C)COC(=O)[C@@H]1O SY040562 [0,1,0,1,0,0|1,0,1]=4 117 B9R1.138 CC1(C)COC(=O)[C@H]1O SY110580 [0,1,0,1,0,0|1,0,1]=4 118 B9R2.143 NC(=O)[C@H]1CC12CC2 SY296012 [0,0,0,2,0,0|2,0,0]=4 119 B9R2.143 O=C(O)C1CC12CC2 SY192623 [0,0,0,2,0,0|1,0,1]=4 120 B9R2.143 O=C(O)[C@@H]1CC12CC2 SY288296 [0,0,0,2,0,0|1,0,1]=4 121 B9R2.143 O=C(O)[C@H]1CC12CC2 SY292257 [0,0,0,2,0,0|1,0,1]=4 122 B5R0.5 CC(C)C(N)=O SY015332 [1,0,0,0,1,0|2,0,0]=4 123 B7R0.6 CC(C)CCC(=O)O SY001693 [1,0,0,0,0,1|1,0,1]=4 124 B7R0.6 CC(C)CC[N+](=O)[O-] SY224455 [1,0,0,0,0,1|2,0,0]=4 125 B7R0.6 CC(O)CCC(=O)[O-] SY159293 [1,0,0,0,0,1|2,0,0]=4 126 B7R0.6 CN(C)CCC(=O)O SY031864 [1,0,0,0,0,1|0,0,2]=4 127 B9R0.56 CC(=O)SCC[N+](C)(C)C SY022189 [0,0,0,0,0,2|1,0,0]=3