0 B5R0.1 C#CCC(C)C 8172AJ [0,0,0,0,0,0|1,0,1]=2 1 B5R0.1 C=C(C)CCBr Z4377 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.1 C=C(C)CCC 5700AL [0,0,0,0,0,0|1,0,3]=4 3 B5R0.1 C=CNC(C)=O 8689AL [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CC(C)=CCBr Z1911 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.1 CC(C)CCI X5313 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.1 CC(C)CNN Z1645 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 CC(C)OC=O 7262AF [0,0,0,0,0,0|1,0,0]=1 8 B5R0.1 CC(N)CCO Z2685 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.1 CN(C)CC=O 4924AA [0,0,0,0,0,0|1,0,0]=1 10 B5R0.1 COCC(C)=O U020 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 COCC(C)N 0442AC [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 COC[C@@H](C)N W7467 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 CSC=[N+](C)C 8446AL [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 CSCC(C)=O Y1373 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 CSCS(C)=O E772 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.1 C[C@H](N)CCO W7371 [0,0,0,0,0,0|1,0,2]=3 17 B4R0.1 C#CC(C)N 6477AH [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 C=CC(C)O 6444AE [1,0,0,0,0,0|1,0,1]=3 19 B4R0.1 CC(Br)C#N X7909 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 CC(C)=CBr X6156 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.1 CC(C)CN 8086AL [1,0,0,0,0,0|1,0,0]=2 22 B4R0.1 CC(Cl)C#N 2066AL [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 CC(O)CCl 7057AF [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 CO[SiH](C)C 3278AL [1,0,0,0,0,0|1,1,1]=4 25 B4R0.1 NCC(F)F 9861AE [1,0,0,0,0,0|3,0,0]=4 26 B4R0.2 C#CCCI 6186AJ [1,0,0,0,0,0|2,0,1]=4 27 B4R0.2 C#CCCN 6476AH [1,0,0,0,0,0|2,0,1]=4 28 B4R0.2 C=CCCC 7306AF [1,0,0,0,0,0|1,0,0]=2 29 B4R0.2 C=CCCN 2362AH [1,0,0,0,0,0|2,0,0]=3 30 B4R0.2 C=CSCC 7899AL [1,0,0,0,0,0|2,0,0]=3 31 B4R0.2 CCC#CI 4805AL [1,0,0,0,0,0|1,0,2]=4 32 B4R0.2 CCCC#N A365 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.2 CCCCC 8942AJ [1,0,0,0,0,0|1,0,1]=3 34 B4R0.2 CCCCN 7306AL [1,0,0,0,0,0|1,0,1]=3 35 B4R0.2 CCCCS 4787AL [1,0,0,0,0,0|0,1,1]=3 36 B4R0.2 CCNCC 7648AL [1,0,0,0,0,0|2,0,1]=4 37 B4R0.2 CCNCC 7649AL [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 CCNCC 7650AL [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 CCOC=N M412 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.2 CNCCN X9276 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 CSCCO U461 [1,0,0,0,0,0|1,0,2]=4 42 B4R0.2 C\C=C\CC 7309AF [1,0,0,0,0,0|1,0,1]=3 43 B4R0.2 C\C=C\OC 1641AL [1,0,0,0,0,0|2,0,1]=4 44 B4R0.2 NCCCN 7173AL [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 NCCCO 5983AL [1,0,0,0,0,0|1,0,2]=4 46 B4R0.2 NCCON W5869 [1,0,0,0,0,0|3,0,0]=4 47 B4R0.2 NOCCO 5251AJ [1,0,0,0,0,0|3,0,0]=4 48 B6R0.1 CC(CO)CCN 2620AL [0,1,0,0,0,0|1,0,1]=3 49 B6R0.1 CCC(C)N=C=O 4892AD [0,1,0,0,0,0|1,0,1]=3 50 B6R0.1 CCC(O)COC 4893AL [0,1,0,0,0,0|3,0,0]=4 51 B6R0.1 CCCC(C)CCl 4812AL [0,1,0,0,0,0|1,0,1]=3 52 B6R0.1 C[C@@H](CO)CCN 4158AL [0,1,0,0,0,0|1,0,1]=3 53 B6R0.1 ClCC(Cl)CCBr 4770AL [0,1,0,0,0,0|2,0,1]=4 54 B6R0.1 OC(CCl)CCCl 4625AL [0,1,0,0,0,0|2,0,1]=4 55 B6R0.2 CC(=O)NC(C)=O 7247AF [0,1,0,0,0,0|2,0,1]=4 56 B6R0.2 CC(=O)NC(C)C X8984 [0,1,0,0,0,0|1,0,0]=2 57 B6R0.2 CC(C)CC(C)N X3873 [0,1,0,0,0,0|1,0,1]=3 58 B6R0.2 CC(C)NC(N)=O X3415 [0,1,0,0,0,0|1,0,0]=2 59 B6R0.2 CC(C)OC(N)=O 7274AF [0,1,0,0,0,0|1,0,0]=2 60 B6R0.2 CC(Cl)CC(=O)O 7238AF [0,1,0,0,0,0|1,0,0]=2 61 B6R0.2 CC(N)CC(=O)O 3162AL [0,1,0,0,0,0|1,0,0]=2 62 B6R0.2 CC(O)CC(C)O 5338AL [0,1,0,0,0,0|1,0,2]=4 63 B6R0.2 CN(C)CC(N)=S 1262AJ [0,1,0,0,0,0|1,1,0]=3 64 B6R0.2 C[C@@H](N)CC(=O)O Z5926 [0,1,0,0,0,0|1,0,0]=2 65 B6R0.2 C[C@@H](O)C[C@@H](C)O 7396AJ [0,1,0,0,0,0|1,0,2]=4 66 B6R0.2 C[C@H](N)CC(=O)O W5861 [0,1,0,0,0,0|1,0,0]=2 67 B6R0.2 C[C@H](O)C[C@H](C)O 7398AJ [0,1,0,0,0,0|1,0,2]=4 68 B6R0.3 CC(C)C(=O)CBr W4222 [0,1,0,0,0,0|1,0,2]=4 69 B6R0.3 CC(C)C(N)=NO 3115AC [0,1,0,0,0,0|1,0,2]=4 70 B6R0.3 CC(O)C(O)CO 4398AL [0,1,0,0,0,0|1,0,2]=4 71 B6R0.3 CCC(O)C(C)C 8275AB [0,1,0,0,0,0|1,0,1]=3 72 B6R0.3 COC(=N)C(C)C V5712 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.3 COC(C)C(C)O V6491 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.3 C[C@H](O)[C@@H](N)CO W6337 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.4 C=COCC(C)C 8720AJ [0,1,0,0,0,0|1,0,0]=2 76 B6R0.4 CC(Br)CCCBr 9465AB [0,1,0,0,0,0|2,0,1]=4 77 B6R0.4 CC(C)CN=C=O 6296AD [0,1,0,0,0,0|0,0,1]=2 78 B6R0.4 CC(C)SCCN 3448AF [0,1,0,0,0,0|1,0,1]=3 79 B6R0.4 CC(O)CCCO 1536AL [0,1,0,0,0,0|1,0,2]=4 80 B6R0.4 CCCSC(C)C 8111AL [0,1,0,0,0,0|1,0,1]=3 81 B6R0.4 CN(C)CCCBr W7153 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.5 C=CCC(C)(C)O 1796AJ [0,1,0,0,0,0|1,0,0]=2 83 B6R0.5 C=CC[Si](C)(C)Cl 7041AL [0,1,0,0,0,0|1,1,0]=3 84 B6R0.5 C=CO[Si](C)(C)C 9191AJ [0,1,0,0,0,0|2,1,0]=4 85 B6R0.5 CC(C)(C)NC=O 8674AL [0,1,0,0,0,0|1,0,0]=2 86 B6R0.5 CC(C)(N)CCO 3154AE [0,1,0,0,0,0|0,0,2]=3 87 B6R0.5 CC(C)(O)CC#N 3965AD [0,1,0,0,0,0|1,0,1]=3 88 B6R0.5 CC(C)(O)CCBr W5746 [0,1,0,0,0,0|1,0,1]=3 89 B6R0.5 CCCC(C)(C)C 5139AL [0,1,0,0,0,0|1,0,1]=3 90 B6R0.5 CCCC(C)(C)O 5708AL [0,1,0,0,0,0|1,0,1]=3 91 B6R0.5 CCC[Si](C)(C)Cl 8662AL [0,1,0,0,0,0|1,1,1]=4 92 B6R0.5 CCOC(C)(C)C 7559AF [0,1,0,0,0,0|2,0,1]=4 93 B6R0.5 CNCC(C)(C)O 1773AJ [0,1,0,0,0,0|2,0,0]=3 94 B6R0.5 COCC(C)(C)O 1642AL [0,1,0,0,0,0|2,0,0]=3 95 B6R0.5 C[N+](C)(C)CC=O 0004AQ [0,1,0,0,0,0|1,0,0]=2 96 B6R0.5 C[N+](C)(C)CCO 7392AL [0,1,0,0,0,0|1,0,2]=4 97 B6R0.5 C\C=N\C(C)(C)C 0877AC [0,1,0,0,0,0|2,0,0]=3 98 B6R1.2 BrC1CCNC1 X9668 [0,0,0,1,0,0|2,0,1]=4 99 B6R1.2 BrC1CCOC1 W4135 [0,0,0,1,0,0|1,0,2]=4 100 B6R1.2 CC1CCCN1 2138AL [0,0,0,1,0,0|2,0,1]=4 101 B6R1.2 C[C@@H]1CCNC1 1585AB [0,0,0,1,0,0|1,0,1]=3 102 B6R1.2 C[C@H]1CCNC1 W4034 [0,0,0,1,0,0|1,0,1]=3 103 B6R1.2 ClC1CCCC1 H294 [0,0,0,1,0,0|2,0,1]=4 104 B6R1.2 ClC1CCOC1 X2032 [0,0,0,1,0,0|1,0,2]=4 105 B6R1.2 N[C@@H]1CCOC1 X8829 [0,0,0,1,0,0|1,0,2]=4 106 B6R1.3 BrCCC1CO1 4719AJ [0,0,0,1,0,0|2,0,1]=4 107 B6R1.3 CNCC1CC1 X2042 [0,0,0,1,0,0|2,0,0]=3 108 B6R1.3 NCCC1CC1 4787AC [0,0,0,1,0,0|1,0,1]=3 109 B6R1.3 NCCC1CC1 9526AB [0,0,0,1,0,0|1,0,1]=3 110 B6R1.3 O=CNC1CC1 V6779 [0,0,0,1,0,0|1,0,0]=2 111 B6R1.3 S=C=NC1CC1 5743AE [0,0,0,1,0,0|1,1,1]=4 112 B6R1.5 CC1CC(=O)O1 7160AL [0,0,0,1,0,0|1,0,0]=2 113 B6R1.5 NC1CC(O)C1 0869AA [0,0,0,1,0,0|1,0,2]=4 114 B6R1.5 NC1CC(O)C1 W6394 [0,0,0,1,0,0|1,0,2]=4 115 B6R1.5 O=C1CC(Br)C1 8034AD [0,0,0,1,0,0|1,0,0]=2 116 B6R1.10 CC1(C)CNC1 5732AJ [0,0,0,1,0,0|2,0,0]=3 117 B6R1.10 CC1(C)COC1 1326AQ [0,0,0,1,0,0|2,0,0]=3 118 B6R1.10 CC1(N)CCC1 9055AA [0,0,0,1,0,0|2,0,1]=4 119 B6R1.10 CC1(N)CCC1 X5278 [0,0,0,1,0,0|2,0,1]=4 120 B6R1.10 CC1(N)CSC1 3915AF [0,0,0,1,0,0|3,0,0]=4 121 B6R1.10 CC1(O)CNC1 2353AJ [0,0,0,1,0,0|3,0,0]=4 122 B6R1.10 CC1(O)CNC1 3115AD [0,0,0,1,0,0|3,0,0]=4 123 B6R1.10 CC1(O)COC1 8260AA [0,0,0,1,0,0|3,0,0]=4 124 B6R1.11 CC(N)C1CC1 3131AE [0,0,0,1,0,0|2,0,1]=4 125 B3R0.1 CCCN 8883AL [2,0,0,0,0,0|1,0,0]=3 126 B3R0.1 CCCS 7738AJ [2,0,0,0,0,0|0,1,0]=3 127 B3R0.1 CCNO X5655 [2,0,0,0,0,0|1,0,1]=4 128 B3R0.1 ClCCI 4811AL [2,0,0,0,0,0|2,0,0]=4 129 B3R0.1 FCCI V7660 [2,0,0,0,0,0|2,0,0]=4 130 B3R0.1 NCCN 7518AA [2,0,0,0,0,0|2,0,0]=4 131 B3R0.1 NCCN 8659AJ [2,0,0,0,0,0|2,0,0]=4 132 B3R0.2 C=C(C)C 5301AF [2,0,0,0,0,0|0,0,1]=3 133 B3R0.2 CC(=O)O 6852AF [2,0,0,0,0,0|1,0,1]=4 134 B3R0.2 CC(=O)[O-] 6843AF [2,0,0,0,0,0|1,0,1]=4 135 B3R0.2 [BH3-][NH+](C)C 8584AJ [2,0,0,0,0,0|2,0,0]=4 136 B5R0.3 C=CC(C)C#N 5710AL [1,1,0,0,0,0|0,0,2]=4 137 B5R0.3 C=CC(C)CC 6094AL [1,1,0,0,0,0|0,0,1]=3 138 B5R0.3 C=CC(O)CC 7733AJ [1,1,0,0,0,0|1,0,1]=4 139 B5R0.3 C=CC(O)CO V0531 [1,1,0,0,0,0|1,0,1]=4 140 B5R0.3 C=C[C@@H](N)CO 3384AB [1,1,0,0,0,0|1,0,1]=4 141 B5R0.3 C=C[C@H](N)CO W4532 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.3 CCC(C)C=O 7969AJ [1,1,0,0,0,0|0,0,0]=2 143 B5R0.3 CCC(C)CC 6117AL [1,1,0,0,0,0|0,0,1]=3 144 B5R0.3 CCC(C)CI 4886AL [1,1,0,0,0,0|0,0,1]=3 145 B5R0.3 CCC(C)NC 9511AE [1,1,0,0,0,0|0,0,1]=3 146 B5R0.3 CCC(C)NN 0007AD [1,1,0,0,0,0|1,0,1]=4 147 B5R0.3 CCC(O)CN 6349AA [1,1,0,0,0,0|1,0,1]=4 148 B5R0.3 CCN(C)CC 7490AH [1,1,0,0,0,0|1,0,1]=4 149 B5R0.3 CC[C@H](O)CO 1422AC [1,1,0,0,0,0|1,0,1]=4 150 B5R0.3 CON(C)C=O 3547AB [1,1,0,0,0,0|1,0,0]=3 151 B5R0.3 NC(CO)CO V0534 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.3 NCC(O)CCl Z2000 [1,1,0,0,0,0|2,0,0]=4 153 B5R0.3 O=CC(O)CO 6635AH [1,1,0,0,0,0|1,0,0]=3 154 B5R0.3 OCC(S)CS F878 [1,1,0,0,0,0|1,0,1]=4 155 B5R0.4 C=CC(C)(C)C 5869AL [1,1,0,0,0,0|0,0,1]=3 156 B5R0.4 C=C[N+](C)(C)C 9325AL [1,1,0,0,0,0|1,0,1]=4 157 B5R0.4 CC(C)(C)CN 8004AA [1,1,0,0,0,0|1,0,0]=3 158 B5R0.4 CC(C)(C)NO B804 [1,1,0,0,0,0|1,0,1]=4 159 B5R0.4 CC(C)(F)CBr 5101AJ [1,1,0,0,0,0|1,0,0]=3 160 B5R0.4 CC(C)(N)CO 4971AH [1,1,0,0,0,0|0,0,1]=3 161 B5R0.4 CC(F)(F)CN V8232 [1,1,0,0,0,0|2,0,0]=4 162 B5R0.4 CCC(C)(C)Br 5515AL [1,1,0,0,0,0|0,0,1]=3 163 B5R0.4 CCC(C)(C)Cl 5561AL [1,1,0,0,0,0|0,0,1]=3 164 B5R0.4 C[N+](C)(C)CI 2479AE [1,1,0,0,0,0|2,0,0]=4 165 B5R0.4 C[Si](C)(C)CBr 4095AL [1,1,0,0,0,0|1,1,0]=4 166 B5R0.4 C[Si](C)(C)CO X6387 [1,1,0,0,0,0|0,1,1]=4 167 B5R0.4 C[Si](C)(Cl)CCl 8463AJ [1,1,0,0,0,0|1,1,0]=4 168 B5R0.4 O=CC(F)(F)F 3062AE [1,1,0,0,0,0|2,0,0]=4 169 B5R0.5 CC(=O)N(C)C B355 [1,1,0,0,0,0|1,0,0]=3 170 B5R0.5 CC(=O)[C@H](C)N 2350AA [1,1,0,0,0,0|1,0,0]=3 171 B5R0.5 CC(C)C(=O)[O-] 7249AF [1,1,0,0,0,0|0,0,0]=2 172 B5R0.5 CC(C)C(C)O 6096AL [1,1,0,0,0,0|0,0,1]=3 173 B5R0.5 CC(C)S(=O)[O-] 4057AH [1,1,0,0,0,0|1,0,0]=3 174 B5R0.5 CC(Cl)C(N)=O 9013AD [1,1,0,0,0,0|1,0,0]=3 175 B5R0.5 CC(N)C(N)=O 9942AE [1,1,0,0,0,0|1,0,0]=3 176 B5R0.5 CC(N)C(N)=O V6080 [1,1,0,0,0,0|1,0,0]=3 177 B5R0.5 CC(O)C(=O)[O-] 7038AF [1,1,0,0,0,0|1,0,0]=3 178 B5R0.5 CC(O)C(=O)[O-] O583 [1,1,0,0,0,0|1,0,0]=3 179 B5R0.5 CC(S)C(C)S 9352AJ [1,1,0,0,0,0|1,0,1]=4 180 B5R0.5 CN(C)C(=S)S 7714AL [1,1,0,0,0,0|1,1,0]=4 181 B5R0.5 C[C@@H](N)C(N)=O Z4641 [1,1,0,0,0,0|1,0,0]=3 182 B5R0.5 NC(=O)C(F)Cl 3273AE [1,1,0,0,0,0|2,0,0]=4 183 B5R0.5 O=C(O)C(Br)Br 6811AF [1,1,0,0,0,0|2,0,0]=4 184 B5R0.2 C=CCCC=C 7447AF [1,1,0,0,0,0|1,0,1]=4 185 B5R0.2 C=CCCCN 2628AB [1,1,0,0,0,0|1,0,0]=3 186 B5R0.2 C=CCNC=O 5211AD [1,1,0,0,0,0|0,0,2]=4 187 B5R0.2 CC#CCCC 7448AF [1,1,0,0,0,0|1,0,1]=4 188 B5R0.2 CCCCON 7308AJ [1,1,0,0,0,0|0,0,2]=4 189 B5R0.2 CCCOC=O 8880AL [1,1,0,0,0,0|0,0,0]=2 190 B5R0.2 CCCSSC 8846AJ [1,1,0,0,0,0|1,1,0]=4 191 B5R0.2 CC\C=C/CC 7431AL [1,1,0,0,0,0|1,0,1]=4 192 B5R0.2 CC\C=C/CO 3214AL [1,1,0,0,0,0|0,0,2]=4 193 B5R0.2 CC\C=C\CC 3771AD [1,1,0,0,0,0|1,0,1]=4 194 B5R0.2 CNCCSC 7146AJ [1,1,0,0,0,0|2,0,0]=4 195 B5R0.2 COCCNN 5901AC [1,1,0,0,0,0|2,0,0]=4 196 B5R0.2 N#CCCCBr B613 [1,1,0,0,0,0|1,0,1]=4 197 B5R0.2 N#CCOC=O 7500AL [1,1,0,0,0,0|1,0,1]=4 198 B5R0.2 NCCCCBr 4038AB [1,1,0,0,0,0|1,0,1]=4 199 B5R0.2 NCCCCBr Z4484 [1,1,0,0,0,0|1,0,1]=4 200 B5R0.2 NCCCCCl 9859AB [1,1,0,0,0,0|1,0,1]=4 201 B7R0.2 CC(C)NC(=O)CN 6712AE [0,2,0,0,0,0|1,0,0]=3 202 B7R0.2 CC(C)OC(=O)CN Y6052 [0,2,0,0,0,0|1,0,0]=3 203 B7R0.2 CCC(=O)CC(C)C 9385AB [0,2,0,0,0,0|0,0,0]=2 204 B7R0.2 CCC(=O)OC(C)C 7522AF [0,2,0,0,0,0|1,0,0]=3 205 B7R0.2 CCC(C)OC(C)=O 7525AF [0,2,0,0,0,0|1,0,0]=3 206 B7R0.2 CCC(N)CC(=O)O W4035 [0,2,0,0,0,0|1,0,0]=3 207 B7R0.2 CCN(C)CC(=O)O 9048AE [0,2,0,0,0,0|1,0,0]=3 208 B7R0.2 CC[C@H](C)CC(=O)O 4847AJ [0,2,0,0,0,0|0,0,0]=2 209 B7R0.2 CNC(C)CC(C)C 2627AF [0,2,0,0,0,0|1,0,1]=4 210 B7R0.2 COC(=O)CC(C)C 8842AJ [0,2,0,0,0,0|0,0,0]=2 211 B7R0.2 COC(=O)CN(C)C X7323 [0,2,0,0,0,0|1,0,0]=3 212 B7R0.2 C\C(CC(C)C)=N/O 6599AL [0,2,0,0,0,0|0,0,1]=3 213 B7R0.2 NC[C@H](O)CC(=O)O Z5048 [0,2,0,0,0,0|1,0,0]=3 214 B7R0.2 N[C@@H](CO)CC(=O)O W3594 [0,2,0,0,0,0|1,0,0]=3 215 B7R0.2 N[C@H](CO)CC(=O)O Z5676 [0,2,0,0,0,0|1,0,0]=3 216 B7R0.3 C=CCCC(Br)CBr 4446AL [0,2,0,0,0,0|2,0,0]=4 217 B7R0.3 CCC(C)CN=C=S 3700AE [0,2,0,0,0,0|0,1,1]=4 218 B7R0.3 CCC(O)\C=C\C=O 1086AH [0,2,0,0,0,0|1,0,1]=4 219 B7R0.3 COC(=O)CNC=O 3413AB [0,2,0,0,0,0|1,0,1]=4 220 B7R0.5 CC(C)C(=O)CC#N W5204 [0,2,0,0,0,0|1,0,1]=4 221 B7R0.5 CC(C)C(C)N=C=S 6785AD [0,2,0,0,0,0|0,1,1]=4 222 B7R0.5 CC(C)C(N)CCO 5799AJ [0,2,0,0,0,0|0,0,2]=4 223 B7R0.5 CC(NC=O)C(=O)O 6246AE [0,2,0,0,0,0|1,0,1]=4 224 B7R0.7 CCCC(C)CC=S U658 [0,2,0,0,0,0|0,1,0]=3 225 B7R0.7 CCCC(C)CCC 6609AL [0,2,0,0,0,0|1,0,1]=4 226 B7R0.7 CCNC(C)CCO 9482AE [0,2,0,0,0,0|0,0,2]=4 227 B7R0.10 CC[C@@H](C)[C@@H](N)CO G876 [0,2,0,0,0,0|0,0,2]=4 228 B7R0.9 CC(C)(C)NC(N)=O 7334AF [0,2,0,0,0,0|1,0,0]=3 229 B7R0.9 CC(C)=CC(C)(C)C 7955AF [0,2,0,0,0,0|1,0,1]=4 230 B7R0.16 CC(C)=C(C)C(C)C 5174AL [0,2,0,0,0,0|1,0,1]=4 231 B7R0.16 CC(C)C(=O)C(=O)O 1796AC [0,2,0,0,0,0|0,0,1]=3 232 B7R0.16 CC(C)C(C)C(=O)O 6994AA [0,2,0,0,0,0|0,0,0]=2 233 B7R0.16 CC(C)C(N)C(N)=O 3528AF [0,2,0,0,0,0|0,0,0]=2 234 B7R0.16 CC(C)[C@@H](Br)C(=O)O N107 [0,2,0,0,0,0|0,0,0]=2 235 B7R0.16 CC(C)[C@H](Br)C(=O)O M886 [0,2,0,0,0,0|0,0,0]=2 236 B7R0.16 CC(C)[C@H](N)C(N)=O 7258AH [0,2,0,0,0,0|0,0,0]=2 237 B7R0.16 C[C@@H](C(=O)O)N(C)C 1280AL [0,2,0,0,0,0|1,0,0]=3 238 B7R0.14 CC(C)(C)C(N)CO 1480AJ [0,2,0,0,0,0|0,0,2]=4 239 B7R0.14 CC(C)(C)\C(Br)=C/Br 4445AL [0,2,0,0,0,0|1,0,1]=4 240 B7R0.4 CC(C)NCCCO 0839AE [0,2,0,0,0,0|0,0,2]=4 241 B7R0.6 C=C(C)CCC(=O)O 0114AA [0,2,0,0,0,0|0,0,2]=4 242 B7R0.6 CC(=O)CNC(C)=O 2096AC [0,2,0,0,0,0|1,0,1]=4 243 B7R0.6 CC(=O)\C=C\N(C)C 3259AA [0,2,0,0,0,0|1,0,1]=4 244 B7R0.6 CC(C)CCC(C)Br 5483AJ [0,2,0,0,0,0|1,0,1]=4 245 B7R0.6 CC(C)OCC(=O)O 0549AE [0,2,0,0,0,0|0,0,0]=2 246 B7R0.6 CC(Cl)CCC(=O)Cl 6146AJ [0,2,0,0,0,0|1,0,0]=3 247 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,2,0,0,0,0|1,0,0]=3 248 B7R0.8 C=CCNC(C)(C)C 8484AL [0,2,0,0,0,0|1,0,0]=3 249 B7R0.8 C=CCO[Si](C)(C)C 8355AJ [0,2,0,0,0,0|1,1,0]=4 250 B7R0.8 CC(C)(C)OCCN 4886AH [0,2,0,0,0,0|1,0,1]=4 251 B7R0.8 CCCCC(C)(C)O 7817AF [0,2,0,0,0,0|1,0,1]=4 252 B7R0.8 O=COCC(F)(F)F 5076AL [0,2,0,0,0,0|2,0,0]=4 253 B5R1.2 BrC1CNC1 7707AB [1,0,0,1,0,0|2,0,0]=4 254 B5R1.2 CC1CNC1 W9623 [1,0,0,1,0,0|1,0,0]=3 255 B5R1.2 ClC1CCC1 Z7366 [1,0,0,1,0,0|1,0,1]=4 256 B5R1.2 ClC1CNC1 3365AB [1,0,0,1,0,0|2,0,0]=4 257 B5R1.2 FC1CNC1 X3056 [1,0,0,1,0,0|2,0,0]=4 258 B5R1.2 NC1CNC1 0554AA [1,0,0,1,0,0|2,0,0]=4 259 B5R1.2 NC1COC1 6668AB [1,0,0,1,0,0|1,0,1]=4 260 B5R1.2 OC1CNC1 W6360 [1,0,0,1,0,0|2,0,0]=4 261 B5R1.3 C=CC1CO1 7293AL [1,0,0,1,0,0|1,0,1]=4 262 B5R1.3 CC[C@H]1CO1 7482AJ [1,0,0,1,0,0|1,0,1]=4 263 B5R1.3 NCC1CC1 Y1835 [1,0,0,1,0,0|1,0,0]=3 264 B5R1.5 CC1(N)CC1 W9186 [1,0,0,1,0,0|1,0,1]=4 265 B5R1.1 C1=CCCC1 7379AF [1,0,0,1,0,0|1,0,0]=3 266 B5R1.1 C1CCCC1 8499AJ [1,0,0,1,0,0|1,0,1]=4 267 B7R1.1 CNC1CCCC1 W8261 [0,1,0,1,0,0|1,0,1]=4 268 B7R1.1 CNC1CCCC1 Z4480 [0,1,0,1,0,0|1,0,1]=4 269 B7R1.1 COC1CCNC1 Z2737 [0,1,0,1,0,0|1,0,1]=4 270 B7R1.1 CO[C@@H]1CCNC1 Z4777 [0,1,0,1,0,0|1,0,1]=4 271 B7R1.1 CO[C@H]1CCNC1 Z5035 [0,1,0,1,0,0|1,0,1]=4 272 B7R1.1 ICC1CCOC1 3884AL [0,1,0,1,0,0|0,0,2]=4 273 B7R1.1 NCC1CCCC1 W7173 [0,1,0,1,0,0|1,0,1]=4 274 B7R1.1 OC[C@@H]1CCNC1 4311AA [0,1,0,1,0,0|1,0,1]=4 275 B7R1.1 OC[C@@H]1CCNC1 Z7301 [0,1,0,1,0,0|1,0,1]=4 276 B7R1.1 OC[C@@H]1CCOC1 4598AA [0,1,0,1,0,0|0,0,2]=4 277 B7R1.1 OC[C@H]1CCNC1 1914AA [0,1,0,1,0,0|1,0,1]=4 278 B7R1.2 CC1CCC(=O)N1 1659AA [0,1,0,1,0,0|1,0,0]=3 279 B7R1.2 CC1COC(=O)N1 5156AD [0,1,0,1,0,0|1,0,0]=3 280 B7R1.2 C[C@@H]1COC(=O)N1 5441AB [0,1,0,1,0,0|1,0,0]=3 281 B7R1.2 C[C@H]1COC(=O)N1 5440AB [0,1,0,1,0,0|1,0,0]=3 282 B7R1.2 O=C1OCC(Cl)O1 E933 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.3 CC1COCCN1 W6211 [0,1,0,1,0,0|0,0,2]=4 284 B7R1.3 C[C@@H]1CNCCO1 8974AH [0,1,0,1,0,0|1,0,1]=4 285 B7R1.3 C[C@@H]1CNCCO1 W3662 [0,1,0,1,0,0|1,0,1]=4 286 B7R1.3 C[C@@H]1COCCN1 X4857 [0,1,0,1,0,0|0,0,2]=4 287 B7R1.3 C[C@H]1CNCCO1 W8218 [0,1,0,1,0,0|1,0,1]=4 288 B7R1.3 C[C@H]1COCCN1 X4748 [0,1,0,1,0,0|0,0,2]=4 289 B7R1.6 COCC1CNC1 2582AD [0,1,0,1,0,0|2,0,0]=4 290 B7R1.6 COCC1CNC1 Z5376 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.6 OCCC1COC1 1983AB [0,1,0,1,0,0|0,0,2]=4 292 B7R1.10 OCC1CC(Cl)C1 8034AA [0,1,0,1,0,0|1,0,1]=4 293 B7R1.25 CC1(CI)COC1 Z7396 [0,1,0,1,0,0|2,0,0]=4 294 B7R1.25 CC1(CN)COC1 W3338 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.25 CC1(CO)CSC1 5905AE [0,1,0,1,0,0|2,0,0]=4 296 B7R1.25 COC1(C)CNC1 5082AC [0,1,0,1,0,0|2,0,0]=4 297 B7R1.23 C=CC1CC1(Cl)Cl 0410AQ [0,1,0,1,0,0|2,0,0]=4 298 B7R1.7 ClCCOC1CC1 Y8014 [0,1,0,1,0,0|1,0,1]=4 299 B7R1.7 S=C=NCC1CC1 Y9597 [0,1,0,1,0,0|0,1,1]=4 300 B7R1.14 CC1(C)CCCN1 W7438 [0,1,0,1,0,0|1,0,1]=4 301 B7R1.14 CC1(O)CCNC1 Y1200 [0,1,0,1,0,0|1,0,1]=4 302 B7R1.14 CC1(O)CCNC1 Y7315 [0,1,0,1,0,0|1,0,1]=4 303 B7R2.5 NC12CC(C1)C2 7628AD [0,0,0,2,0,0|1,0,1]=4