0 B7R0.9 CC(=O)CC(C)(C)N 19406 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.9 CC(C)(C)CB(O)O 29491 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.9 CC(C)(C)CC(=O)Cl 2093 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.9 CC(C)(O)CC(=O)O 6288 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.9 CC(O)C[N+](C)(C)C 44871 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.9 CS(=O)(=O)CC(=O)O 20136 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 CC(C)=CC(=O)Cl 35639 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.2 CC(C)=CC(=O)O 21295 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.2 CC(C)O[N+](=O)[O-] 17254 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.2 CC(O)CC(=O)O 13860 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.2 CN(C)CC(=O)O 21520 [1,0,0,0,0,0|0,0,2]=3 11 B6R0.2 C[C@@H](N)CC(=O)O 30087 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.2 C[C@H](N)CC(=O)O 13856 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.5 C=CC[Si](C)(C)C 13670 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.5 CC(C)(C)CC=O 3076 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.5 CC(C)(C)CCO 3096 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.5 C[N+](C)(C)CCO 26426 [1,0,0,0,0,0|0,0,2]=3 17 B6R0.5 C[Si](C)(C)CCO 2617 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.5 C[Si](C)(C)N=C=O 35917 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.24 C=CC(=O)OC(C)(C)C 15929 [0,1,0,0,0,0|3,0,0]=4 20 B8R0.24 CC(C)(C)OC(=O)CN 11144 [0,1,0,0,0,0|3,0,0]=4 21 B8R0.24 CC(C)(C)OC(=O)CN 35328 [0,1,0,0,0,0|3,0,0]=4 22 B8R0.24 CC(C)(C)OC(=O)NN 27027 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.24 CNC(=O)OC(C)(C)C 24627 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.27 CC(C)(C)C(=O)C(=O)O 14270 [0,1,0,0,0,0|1,0,2]=4 25 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O 15620 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.27 CC(C)(C)[C@H](Br)C(=O)O 26243 [0,1,0,0,0,0|1,0,1]=3 27 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 16885 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 25580 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.27 CC(C)(S)C(N)C(=O)O 36041 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.27 CC(C)(S)[C@H](N)C(=O)O 35218 [0,1,0,0,0,0|2,0,1]=4 31 B8R1.51 CC1(C)CCC(=O)N1 22248 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.51 CC1(C)CCC(=O)O1 25722 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.51 CC1(C)CNC(=O)C1 25550 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.51 CC1(C)CNC(=O)N1 34122 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.77 CC1(C)C[C@@H]1C(N)=O 6301 [0,0,0,1,0,0|2,0,0]=3 36 B6R0.7 CC(=O)C(C)(C)O 20018 [0,0,0,0,1,0|3,0,0]=4 37 B6R0.7 CC(C)(Br)C(=O)Br 18672 [0,0,0,0,1,0|3,0,0]=4 38 B6R0.7 CC(C)(C)C(=O)O 16826 [0,0,0,0,1,0|1,0,1]=3 39 B6R0.7 CC(C)(C)C(=O)[O-] 31972 [0,0,0,0,1,0|1,0,0]=2 40 B6R0.7 CC(C)(C)C(O)=S 15276 [0,0,0,0,1,0|1,1,1]=4 41 B6R0.7 CC(C)(C)S(N)=O 9911 [0,0,0,0,1,0|3,0,0]=4 42 B6R0.7 CC(C)(C)[S@@](N)=O 6057 [0,0,0,0,1,0|3,0,0]=4 43 B6R0.7 CC(C)(C)[S@](N)=O 6058 [0,0,0,0,1,0|3,0,0]=4 44 B6R0.7 CC(C)(N)C(=O)O 16474 [0,0,0,0,1,0|2,0,1]=4 45 B6R0.7 CC(C)(N)C(N)=O 31964 [0,0,0,0,1,0|3,0,0]=4 46 B8R0.29 CC(=O)C#C[Si](C)(C)C 16060 [0,0,0,0,0,1|2,0,1]=4 47 B8R0.29 CC(C)(C)NCC(=O)O 32009 [0,0,0,0,0,1|1,0,1]=3 48 B8R0.29 CC(C)(C)NCC(=O)O 32035 [0,0,0,0,0,1|1,0,1]=3 49 B5R0.1 CC(C)=CC=O 3075 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.1 CCCC(=O)Cl 13241 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.1 CN(C)CC=O 26115 [2,0,0,0,0,0|0,0,1]=3 52 B5R0.1 CNCC(=O)O 10995 [2,0,0,0,0,0|0,0,2]=4 53 B5R0.4 C=C[N+](C)(C)C 13126 [2,0,0,0,0,0|0,0,1]=3 54 B5R0.4 C=C[Si](C)(C)C 17258 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.4 CC(C)(C)C=O 1910 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.4 CC(C)(C)CN 28998 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.4 CC(C)(C)N=O 45117 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.4 C[Si](C)(C)CBr 13669 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.4 C[Si](C)(C)CCl 13668 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.4 [Li]C[Si](C)(C)C 18144 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.2 CCC(C)CC(=O)O 11272 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.2 CC[C@@H](C)CC(=O)O 11275 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.2 CC[C@H](C)CC(=O)O 11273 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.16 CC(C)[C@@H](N)C(=O)O 11138 [1,1,0,0,0,0|1,0,1]=4 65 B7R0.16 CC(C)[C@H](Br)C(=O)O 13816 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.16 CC(C)[C@H](Cl)C(=O)O 8294 [1,1,0,0,0,0|1,0,1]=4 67 B7R0.16 CC(C)[C@H](N)C(=O)O 23325 [1,1,0,0,0,0|1,0,1]=4 68 B7R0.16 CC(C)[C@H](N)C(N)=O 34993 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.16 CC(C)[C@H](O)C(=O)O 8274 [1,1,0,0,0,0|1,0,1]=4 70 B7R0.13 CC(C)(CN)C(N)=O 23758 [0,1,0,0,1,0|2,0,0]=4 71 B7R0.13 CCC(C)(C)C(=O)Cl 36536 [0,1,0,0,1,0|2,0,0]=4 72 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O 30136 [0,1,0,0,0,1|1,0,1]=4 73 B9R0.57 CC(C)(C)CC(N)C(=O)O 30143 [0,1,0,0,0,1|1,0,1]=4 74 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 30263 [0,1,0,0,0,1|1,0,1]=4 75 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C 11076 [0,2,0,0,0,0|1,0,1]=4 76 B9R0.44 CCOC(=O)C[Si](C)(C)C 16058 [0,2,0,0,0,0|1,0,1]=4 77 B7R1.2 CC1COC(=O)C1 35360 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.2 CN1CCC(=O)C1 20342 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.20 O=C(O)CC1CC1 19703 [1,0,0,1,0,0|1,0,1]=4 80 B7R1.19 CC1(C(=O)O)CC1 16037 [0,0,0,1,1,0|1,0,1]=4 81 B9R1.10 CC1(C)CCC(=O)CC1 30356 [0,0,0,1,0,1|2,0,0]=4 82 B9R1.66 CC1(C)CC(=O)CCO1 24423 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.66 CC1(C)CCCC(=O)C1 27316 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.138 CC1(C)COC(=O)[C@@H]1O 35059 [0,1,0,1,0,0|1,0,1]=4 85 B9R1.138 CC1(C)COC(=O)[C@H]1O 15870 [0,1,0,1,0,0|1,0,1]=4 86 B5R0.5 C=C(C)C(=O)[O-] 13118 [1,0,0,0,1,0|1,0,1]=4 87 B5R0.5 C=C(C)C(=O)[O-] 13119 [1,0,0,0,1,0|1,0,1]=4 88 B5R0.5 C=C(C)C(=O)[O-] 21062 [1,0,0,0,1,0|1,0,1]=4 89 B5R0.5 C=C(C)C(=O)[O-] 21065 [1,0,0,0,1,0|1,0,1]=4 90 B5R0.5 CC(C)C(=O)Cl 18648 [1,0,0,0,1,0|2,0,0]=4 91 B5R0.5 CC(C)C(N)=O 21345 [1,0,0,0,1,0|2,0,0]=4 92 B5R0.5 CC(O)C(=O)[O-] 20459 [1,0,0,0,1,0|2,0,0]=4 93 B5R0.5 CN(C)C(=O)Cl 29326 [1,0,0,0,1,0|1,0,1]=4 94 B7R0.6 CC(C)CCC(=O)Cl 20015 [1,0,0,0,0,1|2,0,0]=4 95 B7R0.6 CC(C)CO[N+](=O)[O-] 28953 [1,0,0,0,0,1|2,0,0]=4 96 B7R0.6 C[S+](C)CCC(=O)O 35248 [1,0,0,0,0,1|1,0,1]=4 97 B9R0.56 CC(=O)OCC[N+](C)(C)C 30313 [0,0,0,0,0,2|1,0,0]=3 98 B9R0.56 C[N+](C)(C)CCCC(=O)O 25116 [0,0,0,0,0,2|0,0,1]=3