0 B5R0.4 C=CC(C)(C)C 5869AL [0,0,0,0,0,0|1,0,0]=1 1 B5R0.4 C=CC(F)(F)Br 5803AB [0,0,0,0,0,0|3,0,0]=3 2 B5R0.4 C=CS(C)(=O)=O V5535 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.4 C=C[N+](C)(C)C 9325AL [0,0,0,0,0,0|2,0,0]=2 4 B5R0.4 C=C[Si](C)(Cl)Cl 4705AA [0,0,0,0,0,0|2,1,0]=3 5 B5R0.4 C=C[Si](Cl)(Cl)Cl 7811AH [0,0,0,0,0,0|3,1,0]=4 6 B5R0.4 CC(C)(C)CN 8004AA [0,0,0,0,0,0|2,0,1]=3 7 B5R0.4 CC(C)(C)NO B804 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.4 CC(C)(F)CBr 5101AJ [0,0,0,0,0,0|2,0,1]=3 9 B5R0.4 CC(C)(N)CO 4971AH [0,0,0,0,0,0|2,0,1]=3 10 B5R0.4 CC(F)(F)CN V8232 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.4 CCC(C)(C)Br 5515AL [0,0,0,0,0,0|1,0,2]=3 12 B5R0.4 CCC(C)(C)Cl 5561AL [0,0,0,0,0,0|1,0,2]=3 13 B5R0.4 CO[Si](C)(C)C X3592 [0,0,0,0,0,0|2,1,1]=4 14 B5R0.4 C[N+](C)(C)CI 2479AE [0,0,0,0,0,0|3,0,1]=4 15 B5R0.4 C[Si](C)(C)CBr 4095AL [0,0,0,0,0,0|2,1,1]=4 16 B5R0.4 C[Si](C)(C)CO X6387 [0,0,0,0,0,0|2,1,1]=4 17 B5R0.4 C[Si](C)(Cl)CCl 8463AJ [0,0,0,0,0,0|2,1,1]=4 18 B5R0.4 O=CC(F)(F)F 3062AE [0,0,0,0,0,0|4,0,0]=4 19 B4R0.1 C#CC(C)N 6477AH [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 C=CC(=O)[O-] 7016AF [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 C=CC(C)O 6444AE [1,0,0,0,0,0|0,0,0]=1 22 B4R0.1 CC(Br)C#N X7909 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 CC(C)=CBr X6156 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 CC(C)CN 8086AL [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 CC(Cl)C#N 2066AL [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 CC(O)CCl 7057AF [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 CO[SiH](C)C 3278AL [1,0,0,0,0,0|1,1,1]=4 28 B4R0.3 CC(C)(F)F 3040AE [1,0,0,0,0,0|2,0,0]=3 29 B4R0.3 CS(C)(=N)=O 4730AD [1,0,0,0,0,0|2,0,1]=4 30 B4R0.3 C[As](C)(=O)O 6874AF [1,0,0,0,0,0|2,0,0]=3 31 B4R0.3 C[N+](C)(C)C 0656AP [1,0,0,0,0,0|2,0,1]=4 32 B4R0.3 C[N+](C)(C)C 7123AF [1,0,0,0,0,0|2,0,1]=4 33 B4R0.3 C[N+](C)(C)C 9123AL [1,0,0,0,0,0|2,0,1]=4 34 B4R0.3 C[N+](C)(C)C 9124AL [1,0,0,0,0,0|2,0,1]=4 35 B4R0.3 C[N+](C)(C)C 9126AL [1,0,0,0,0,0|2,0,1]=4 36 B4R0.3 C[N+](C)(C)C 9127AL [1,0,0,0,0,0|2,0,1]=4 37 B4R0.3 C[N+](C)(C)C G456 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.3 C[Pt](C)(C)I 7052AA [1,0,0,0,0,0|2,0,1]=4 39 B4R0.3 C[Si](C)(C)[O-] X7202 [1,0,0,0,0,0|0,1,2]=4 40 B6R0.5 C=CCC(C)(C)O 1796AJ [0,1,0,0,0,0|0,0,0]=1 41 B6R0.5 C=CC[Si](C)(C)Cl 7041AL [0,1,0,0,0,0|1,1,0]=3 42 B6R0.5 C=CO[Si](C)(C)C 9191AJ [0,1,0,0,0,0|1,1,0]=3 43 B6R0.5 CC(C)(C)NC=O 8674AL [0,1,0,0,0,0|2,0,0]=3 44 B6R0.5 CC(C)(N)CCO 3154AE [0,1,0,0,0,0|1,0,2]=4 45 B6R0.5 CC(C)(O)CC#N 3965AD [0,1,0,0,0,0|0,0,2]=3 46 B6R0.5 CC(C)(O)CCBr W5746 [0,1,0,0,0,0|0,0,2]=3 47 B6R0.5 CCCC(C)(C)C 5139AL [0,1,0,0,0,0|1,0,2]=4 48 B6R0.5 CCCC(C)(C)O 5708AL [0,1,0,0,0,0|0,0,2]=3 49 B6R0.5 CCOC(C)(C)C 7559AF [0,1,0,0,0,0|1,0,2]=4 50 B6R0.5 CNCC(C)(C)O 1773AJ [0,1,0,0,0,0|0,0,2]=3 51 B6R0.5 COCC(C)(C)O 1642AL [0,1,0,0,0,0|0,0,2]=3 52 B6R0.5 C[N+](C)(C)CC=O 0004AQ [0,1,0,0,0,0|2,0,1]=4 53 B6R0.5 C\C=C/P(=O)(O)O 2056AB [0,1,0,0,0,0|3,0,0]=4 54 B6R0.5 C\C=N\C(C)(C)C 0877AC [0,1,0,0,0,0|1,0,1]=3 55 B6R0.7 C=C(Br)[Si](C)(C)C 3979AL [0,1,0,0,0,0|1,1,0]=3 56 B6R0.7 C=C(Cl)C(F)(F)F 8945AD [0,1,0,0,0,0|3,0,0]=4 57 B6R0.7 CC(C)(C)C(=O)[O-] 7339AJ [0,1,0,0,0,0|2,0,0]=3 58 B6R0.7 CC(C)(C)C(=O)[O-] 7340AJ [0,1,0,0,0,0|2,0,0]=3 59 B6R0.7 CC(C)(Cl)[N+](=O)[O-] 7043AF [0,1,0,0,0,0|3,0,0]=4 60 B6R0.7 CC(C)(F)C(=O)O 7217AE [0,1,0,0,0,0|2,0,0]=3 61 B6R0.7 CC(C)C(C)(C)N 9317AL [0,1,0,0,0,0|1,0,2]=4 62 B6R0.7 CC(N)C(C)(C)C 2177AE [0,1,0,0,0,0|1,0,2]=4 63 B6R0.8 C#CC(C)(N)CC X8885 [0,1,0,0,0,0|1,0,2]=4 64 B6R0.8 C#CC(C)(O)C=C 6093AL [0,1,0,0,0,0|0,0,1]=2 65 B6R0.8 CC(C)(C#N)CO 0005AB [0,1,0,0,0,0|1,0,1]=3 66 B6R0.8 CCC(C)(N)C#N Z4767 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.8 CNC(C)(C)CO 5580AJ [0,1,0,0,0,0|1,0,1]=3 68 B6R0.8 COC(C)(C)CN 0561AA [0,1,0,0,0,0|1,0,1]=3 69 B6R0.8 COC(C)(C)CN 4739AC [0,1,0,0,0,0|1,0,1]=3 70 B6R0.8 O=CC(Br)(Br)CBr 2470AB [0,1,0,0,0,0|3,0,0]=4 71 B6R1.7 CC1(CO)CC1 8973AD [0,0,0,1,0,0|2,0,1]=4 72 B6R1.7 NC1(CO)CC1 X9119 [0,0,0,1,0,0|2,0,1]=4 73 B6R1.10 CC1(C)CNC1 5732AJ [0,0,0,1,0,0|2,0,1]=4 74 B6R1.10 CC1(C)COC1 1326AQ [0,0,0,1,0,0|2,0,1]=4 75 B6R1.10 CC1(N)CCC1 9055AA [0,0,0,1,0,0|1,0,2]=4 76 B6R1.10 CC1(N)CCC1 X5278 [0,0,0,1,0,0|1,0,2]=4 77 B6R1.10 CC1(N)CSC1 3915AF [0,0,0,1,0,0|2,0,1]=4 78 B6R1.10 CC1(O)CNC1 2353AJ [0,0,0,1,0,0|1,0,1]=3 79 B6R1.10 CC1(O)CNC1 3115AD [0,0,0,1,0,0|1,0,1]=3 80 B6R1.10 CC1(O)COC1 8260AA [0,0,0,1,0,0|1,0,1]=3 81 B3R0.1 CCCN 8883AL [2,0,0,0,0,0|1,0,1]=4 82 B3R0.1 CCCS 7738AJ [2,0,0,0,0,0|1,0,1]=4 83 B3R0.1 CCNO X5655 [2,0,0,0,0,0|2,0,0]=4 84 B3R0.2 C=C(C)C 5301AF [2,0,0,0,0,0|0,0,1]=3 85 B3R0.2 CC(=O)O 6852AF [2,0,0,0,0,0|1,0,1]=4 86 B3R0.2 [BH3-][NH+](C)C 8584AJ [2,0,0,0,0,0|2,0,0]=4 87 B5R0.1 C#CCC(C)C 8172AJ [1,1,0,0,0,0|0,0,2]=4 88 B5R0.1 C=CNC(C)=O 8689AL [1,1,0,0,0,0|0,0,2]=4 89 B5R0.1 CC(C)=CCBr Z1911 [1,1,0,0,0,0|0,0,2]=4 90 B5R0.1 CC(C)CCI X5313 [1,1,0,0,0,0|0,0,2]=4 91 B5R0.1 CC(C)CNN Z1645 [1,1,0,0,0,0|1,0,1]=4 92 B5R0.1 CC(C)OC=O 7262AF [1,1,0,0,0,0|1,0,0]=3 93 B5R0.1 CN(C)CC=O 4924AA [1,1,0,0,0,0|1,0,1]=4 94 B5R0.1 CSC=[N+](C)C 8446AL [1,1,0,0,0,0|1,0,1]=4 95 B5R0.3 C=CC(=O)NC 3091AA [1,1,0,0,0,0|0,0,2]=4 96 B5R0.3 C=CC(C)C#N 5710AL [1,1,0,0,0,0|0,0,1]=3 97 B5R0.3 C=CC(C)CC 6094AL [1,1,0,0,0,0|0,0,0]=2 98 B5R0.3 C=CC(O)CC 7733AJ [1,1,0,0,0,0|0,0,0]=2 99 B5R0.3 C=CC(O)CO V0531 [1,1,0,0,0,0|0,0,0]=2 100 B5R0.3 C=C[C@@H](N)CO 3384AB [1,1,0,0,0,0|1,0,0]=3 101 B5R0.3 C=C[C@H](N)CO W4532 [1,1,0,0,0,0|1,0,0]=3 102 B5R0.3 CCC(C)C=O 7969AJ [1,1,0,0,0,0|1,0,0]=3 103 B5R0.3 CCC(C)CC 6117AL [1,1,0,0,0,0|0,0,2]=4 104 B5R0.3 CCC(C)CI 4886AL [1,1,0,0,0,0|0,0,2]=4 105 B5R0.3 CCC(C)NC 9511AE [1,1,0,0,0,0|0,0,2]=4 106 B5R0.3 CCC(C)NN 0007AD [1,1,0,0,0,0|2,0,0]=4 107 B5R0.3 CCC(O)CN 6349AA [1,1,0,0,0,0|0,0,2]=4 108 B5R0.3 CC[C@H](O)CO 1422AC [1,1,0,0,0,0|0,0,2]=4 109 B5R0.3 CON(C)C=O 3547AB [1,1,0,0,0,0|2,0,0]=4 110 B5R0.3 NCC(O)CCl Z2000 [1,1,0,0,0,0|1,0,1]=4 111 B5R0.3 O=CC(O)CO 6635AH [1,1,0,0,0,0|1,0,0]=3 112 B5R0.5 CC(=O)N(C)C B355 [1,1,0,0,0,0|1,0,1]=4 113 B5R0.5 CC(=O)[C@H](C)N 2350AA [1,1,0,0,0,0|1,0,1]=4 114 B5R0.5 CC(C)C(=O)[O-] 7249AF [1,1,0,0,0,0|1,0,0]=3 115 B5R0.5 CC(C)C(C)O 6096AL [1,1,0,0,0,0|0,0,2]=4 116 B5R0.5 CC(C)S(=O)[O-] 4057AH [1,1,0,0,0,0|2,0,0]=4 117 B5R0.5 CC(Cl)C(N)=O 9013AD [1,1,0,0,0,0|2,0,0]=4 118 B5R0.5 CC(N)C(N)=O 9942AE [1,1,0,0,0,0|2,0,0]=4 119 B5R0.5 CC(N)C(N)=O V6080 [1,1,0,0,0,0|2,0,0]=4 120 B5R0.5 CC(O)C(=O)[O-] 7038AF [1,1,0,0,0,0|1,0,0]=3 121 B5R0.5 CC(O)C(=O)[O-] O583 [1,1,0,0,0,0|1,0,0]=3 122 B5R0.5 CN(C)C(=S)S 7714AL [1,1,0,0,0,0|2,0,0]=4 123 B5R0.5 C[C@@H](N)C(N)=O Z4641 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.8 C=CCNC(C)(C)C 8484AL [0,2,0,0,0,0|1,0,0]=3 125 B7R0.8 C=CCO[Si](C)(C)C 8355AJ [0,2,0,0,0,0|1,1,0]=4 126 B7R0.8 CCCCC(C)(C)O 7817AF [0,2,0,0,0,0|0,0,2]=4 127 B7R0.9 C=C(C)O[Si](C)(C)C 8100AL [0,2,0,0,0,0|1,1,0]=4 128 B7R0.9 CC(C)(C)NC(N)=O 7334AF [0,2,0,0,0,0|2,0,0]=4 129 B7R0.9 CC(C)=CC(C)(C)C 7955AF [0,2,0,0,0,0|1,0,0]=3 130 B7R0.14 CC(C)(C)C(=O)CN 3787AB [0,2,0,0,0,0|1,0,1]=4 131 B7R0.14 CC(C)(C)\C(Br)=C/Br 4445AL [0,2,0,0,0,0|1,0,0]=3 132 B7R0.14 CCC(=O)C(C)(C)C Y9483 [0,2,0,0,0,0|1,0,1]=4 133 B7R0.14 CNC(=O)C(C)(C)Br V7364 [0,2,0,0,0,0|1,0,1]=4 134 B7R0.13 C=CC(C)(C)C(=O)O 0670AA [0,2,0,0,0,0|0,0,0]=2 135 B7R0.13 CC(=O)C(C)(C)C#N W5860 [0,2,0,0,0,0|1,0,1]=4 136 B7R0.13 CC(C)(C#N)C(=O)O 1332AB [0,2,0,0,0,0|1,0,1]=4 137 B7R0.13 CC(C)(CF)C(=O)O 9836AB [0,2,0,0,0,0|1,0,1]=4 138 B7R0.13 CC(C)(CN)C(=O)O 2121AJ [0,2,0,0,0,0|1,0,1]=4 139 B7R0.13 CCC(C)(C)C(C)=O 0596AB [0,2,0,0,0,0|1,0,1]=4 140 B7R0.13 CC[C@@](C)(N)C(=O)O Q389 [0,2,0,0,0,0|2,0,0]=4 141 B7R0.17 CC(C)(O)C(Cl)(Cl)Cl 7234AF [0,2,0,0,0,0|1,0,1]=4 142 B7R0.18 C=C[Si](C)(OC)OC 9190AJ [0,2,0,0,0,0|0,1,0]=3 143 B5R1.2 CC1CNC1 W9623 [1,0,0,1,0,0|1,0,1]=4 144 B5R1.2 OC1CNC1 W6360 [1,0,0,1,0,0|1,0,1]=4 145 B5R1.3 C=CC1CO1 7293AL [1,0,0,1,0,0|0,0,0]=2 146 B5R1.3 CC[C@H]1CO1 7482AJ [1,0,0,1,0,0|0,0,2]=4 147 B5R1.3 NCC1CC1 Y1835 [1,0,0,1,0,0|1,0,1]=4 148 B7R1.14 CC1(O)CCNC1 Y1200 [0,1,0,1,0,0|0,0,2]=4 149 B7R1.14 CC1(O)CCNC1 Y7315 [0,1,0,1,0,0|0,0,2]=4 150 B7R1.23 C=CC1CC1(Cl)Cl 0410AQ [0,1,0,1,0,0|2,0,0]=4 151 B7R1.19 NC(=O)C1(Br)CC1 0213AB [0,1,0,1,0,0|2,0,0]=4 152 B7R1.19 O=C(O)C1(Br)CC1 4830AC [0,1,0,1,0,0|2,0,0]=4 153 B7R1.25 C#CC1(O)COC1 3907AD [0,1,0,1,0,0|0,0,2]=4 154 B7R1.25 CC1(C=O)COC1 6969AC [0,1,0,1,0,0|1,0,0]=3 155 B7R1.25 CC1(CI)COC1 Z7396 [0,1,0,1,0,0|1,0,1]=4 156 B7R1.25 CC1(CN)COC1 W3338 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.25 CC1(CO)CSC1 5905AE [0,1,0,1,0,0|1,0,1]=4 158 B7R1.25 COC1(C)CNC1 5082AC [0,1,0,1,0,0|1,0,1]=4 159 B7R1.25 NCC1(O)CCC1 W3913 [0,1,0,1,0,0|0,0,2]=4 160 B7R1.29 N#CC1(CO)CC1 6923AC [0,1,0,1,0,0|1,0,1]=4