0 B4R0.1 BrCC(Br)Br X2956 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 C#CC(C)Cl 6017AL [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C=C(F)CCl 6785AE [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C=C=C(C)C 6086AL [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 C=CC(C)C 7308AF [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 C=NN(C)C 7943AL [0,0,0,0,0,0|4,0,0]=4 6 B4R0.1 CC(=O)NBr 6847AF [0,0,0,0,0,0|2,0,2]=4 7 B4R0.1 CC(=O)NBr 6848AF [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 CC(N)C#N V7482 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 CC(S)CS 4476AL [0,0,0,0,0,0|0,2,0]=2 10 B4R0.1 CCC(=O)Br C859 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.1 CC[SiH](Cl)Cl 7902AL [0,0,0,0,0,0|3,1,0]=4 12 B4R0.1 CSC(C)=O 9061AJ [0,0,0,0,0,0|2,0,2]=4 13 B4R0.1 CSC(C)C 8107AL [0,0,0,0,0,0|3,0,0]=3 14 B4R0.1 CS[S+](C)C 7703AL [0,0,0,0,0,0|4,0,0]=4 15 B4R0.1 C\C(N)=N/O 5291AE [0,0,0,0,0,0|2,0,1]=3 16 B4R0.1 C\C=C(/C)Cl 5560AL [0,0,0,0,0,0|2,0,2]=4 17 B4R0.1 C\C=C(\C)Cl 4247AL [0,0,0,0,0,0|2,0,2]=4 18 B4R0.1 FC(Cl)CCl 3256AE [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 N=C(N)CO 6468AB [0,0,0,0,0,0|2,0,1]=3 20 B4R0.1 NCC(=O)O 7986AL [0,0,0,0,0,0|2,0,1]=3 21 B4R0.1 NCC(=O)[O-] P522 [0,0,0,0,0,0|2,0,2]=4 22 B3R0.1 CCCF 3973AE [1,0,0,0,0,0|1,0,0]=2 23 B3R0.1 C\C=C\Br 4765AL [1,0,0,0,0,0|1,0,2]=4 24 B3R0.1 NCCN 6791AA [1,0,0,0,0,0|2,0,0]=3 25 B3R0.1 NCCN 6876AF [1,0,0,0,0,0|2,0,0]=3 26 B3R0.1 NCCN 9393AJ [1,0,0,0,0,0|2,0,0]=3 27 B3R0.1 NCCN E395 [1,0,0,0,0,0|2,0,0]=3 28 B3R0.2 CC(=O)[Cl] O182 [1,0,0,0,0,0|1,0,2]=4 29 B3R0.2 CC(=O)[O-] E849 [1,0,0,0,0,0|0,0,3]=4 30 B3R0.2 CC(=O)[O-] Y2043 [1,0,0,0,0,0|0,0,3]=4 31 B3R0.2 CC(=O)[O-] Y2049 [1,0,0,0,0,0|0,0,3]=4 32 B3R0.2 CN(C)N 3031AH [1,0,0,0,0,0|2,0,0]=3 33 B3R0.2 C[PH](C)=O 3279AL [1,0,0,0,0,0|1,0,1]=3 34 B3R0.2 C[S+](C)C 9165AJ [1,0,0,0,0,0|2,0,0]=3 35 B3R0.2 C[Sn](C)=O 6872AF [1,0,0,0,0,0|1,0,1]=3 36 B3R0.2 ClC(Cl)Br 8444AJ [1,0,0,0,0,0|3,0,0]=4 37 B3R0.2 O=C([O-])O 6221AA [1,0,0,0,0,0|1,0,2]=4 38 B3R0.2 O=S(O)O 8693AF [1,0,0,0,0,0|2,0,0]=3 39 B3R0.2 O=S(O)O S352 [1,0,0,0,0,0|2,0,0]=3 40 B3R0.2 O[Au](O)O 7031AH [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 C#CCC(C)O 6664AL [0,1,0,0,0,0|1,0,0]=2 42 B5R0.1 C=C(C)CON 4430AJ [0,1,0,0,0,0|1,0,1]=3 43 B5R0.1 C=CCC(=C)C 5694AL [0,1,0,0,0,0|2,0,1]=4 44 B5R0.1 C=CCC(C)C 6595AL [0,1,0,0,0,0|2,0,0]=3 45 B5R0.1 C=CCC(C)O 7318AF [0,1,0,0,0,0|1,0,0]=2 46 B5R0.1 C=COC(C)C 3476AL [0,1,0,0,0,0|2,0,1]=4 47 B5R0.1 CC#CC(C)C 6601AL [0,1,0,0,0,0|2,0,1]=4 48 B5R0.1 CC(Br)CC#N 6005AL [0,1,0,0,0,0|2,0,0]=3 49 B5R0.1 CC(C)=CCCl 7671AJ [0,1,0,0,0,0|2,0,1]=4 50 B5R0.1 CC(C)CCCl 7326AF [0,1,0,0,0,0|2,0,0]=3 51 B5R0.1 CC(O)CON 3604AB [0,1,0,0,0,0|0,0,0]=1 52 B5R0.1 CCC=C(C)C 7499AF [0,1,0,0,0,0|2,0,1]=4 53 B5R0.1 CCOC(C)C 7879AL [0,1,0,0,0,0|2,0,0]=3 54 B5R0.1 CCSC(C)C 7880AL [0,1,0,0,0,0|2,0,0]=3 55 B5R0.1 CNCC(C)=O 4565AF [0,1,0,0,0,0|1,0,2]=4 56 B5R0.1 CNCC(C)C 8603AL [0,1,0,0,0,0|2,0,0]=3 57 B5R0.1 COCC(=N)N 1769AJ [0,1,0,0,0,0|2,0,1]=4 58 B5R0.1 COC[C@H](C)O W4988 [0,1,0,0,0,0|0,0,0]=1 59 B5R0.1 C[C@H](N)CCO 3502AC [0,1,0,0,0,0|1,0,0]=2 60 B5R0.1 C\C(Cl)=C\CN 9653AD [0,1,0,0,0,0|2,0,1]=4 61 B5R0.1 C\C(Cl)=C\CO X6578 [0,1,0,0,0,0|1,0,1]=3 62 B5R0.1 C\C=C\C(C)C 7501AF [0,1,0,0,0,0|2,0,1]=4 63 B5R0.1 NC(=O)CCO 8063AJ [0,1,0,0,0,0|1,0,2]=4 64 B5R0.1 O=C(O)CCF 6350AB [0,1,0,0,0,0|2,0,1]=4 65 B5R0.3 C=C[C@H](O)CO 1303AL [0,1,0,0,0,0|0,0,1]=2 66 B5R0.3 CC(CN)CN 1710AB [0,1,0,0,0,0|2,0,0]=3 67 B5R0.3 CC(CN)CO 0163AC [0,1,0,0,0,0|1,0,0]=2 68 B5R0.3 CCC(=O)CN X8894 [0,1,0,0,0,0|1,0,2]=4 69 B5R0.3 CCC(=O)CO X5132 [0,1,0,0,0,0|0,0,2]=3 70 B5R0.3 CCC(=S)OC R571 [0,1,0,0,0,0|1,1,1]=4 71 B5R0.3 CCC(C)CCl U282 [0,1,0,0,0,0|2,0,0]=3 72 B5R0.3 CCC(C)NN 9798AD [0,1,0,0,0,0|2,0,0]=3 73 B5R0.3 CCC(Cl)CCl 4449AL [0,1,0,0,0,0|2,0,0]=3 74 B5R0.3 CCC(O)C#N 7246AF [0,1,0,0,0,0|1,0,1]=3 75 B5R0.3 CCC(O)CBr 4766AL [0,1,0,0,0,0|1,0,0]=2 76 B5R0.3 CCC(S)CS 4441AL [0,1,0,0,0,0|0,2,0]=3 77 B5R0.3 CC[C@H](C)CCl 4194AL [0,1,0,0,0,0|2,0,0]=3 78 B5R0.3 CNC(=O)CN X2965 [0,1,0,0,0,0|1,0,2]=4 79 B5R0.3 CNC(C)C#N V3698 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.3 COC(C)C#N 0627AE [0,1,0,0,0,0|1,0,1]=3 81 B5R0.3 CO[SiH](C)OC I516 [0,1,0,0,0,0|2,1,0]=4 82 B5R0.3 C\C=C(/C)CC 0241AQ [0,1,0,0,0,0|2,0,1]=4 83 B5R0.3 C\C=C(/C)CC 9220AL [0,1,0,0,0,0|2,0,1]=4 84 B5R0.3 C\C=C(\C)CC 7440AL [0,1,0,0,0,0|2,0,1]=4 85 B5R0.3 FCC(Br)CBr 3889AE [0,1,0,0,0,0|2,0,0]=3 86 B5R0.3 N#CC(Br)CBr 3926AE [0,1,0,0,0,0|2,0,1]=4 87 B5R0.3 N\C(CCl)=N/O 0296AE [0,1,0,0,0,0|2,0,1]=4 88 B5R0.3 N\C(CO)=N\O 9010AE [0,1,0,0,0,0|1,0,1]=3 89 B5R0.4 CC(C)(I)C#N 5659AL [0,1,0,0,0,0|2,0,1]=4 90 B5R0.4 CCC(C)(Cl)Cl 5119AL [0,1,0,0,0,0|2,0,0]=3 91 B5R0.4 C[Si](Cl)(Cl)CCl 7376AL [0,1,0,0,0,0|2,1,0]=4 92 B5R0.4 FC(Cl)(Br)CBr 8194AD [0,1,0,0,0,0|3,0,0]=4 93 B5R0.4 FC(Cl)(Cl)CCl 0041AF [0,1,0,0,0,0|3,0,0]=4 94 B5R0.4 FCC(F)(Cl)Cl 6189AD [0,1,0,0,0,0|3,0,0]=4 95 B5R0.5 C=C(C)B(O)O X6995 [0,1,0,0,0,0|2,0,1]=4 96 B5R0.5 C=C(C)C(C)C 5230AL [0,1,0,0,0,0|2,0,1]=4 97 B5R0.5 CC(=O)C(C)F 0085AF [0,1,0,0,0,0|1,0,2]=4 98 B5R0.5 CC(Cl)C(Cl)Cl 7030AF [0,1,0,0,0,0|2,0,0]=3 99 B5R0.5 CC(N)C(C)O 7117AF [0,1,0,0,0,0|1,0,0]=2 100 B5R0.5 CC(O)C(=N)N 2094AL [0,1,0,0,0,0|1,0,1]=3 101 B5R0.5 CC(O)C(=O)O Y1768 [0,1,0,0,0,0|0,0,1]=2 102 B5R0.5 C[C@H](N)C(N)=O 7048AH [0,1,0,0,0,0|1,0,2]=4 103 B5R0.5 FC(F)C(Cl)Cl 4067AE [0,1,0,0,0,0|3,0,0]=4 104 B5R0.5 O=C(O)C(=O)O 7001AF [0,1,0,0,0,0|1,0,2]=4 105 B5R0.5 O=C(O)C(Cl)Br 8168AB [0,1,0,0,0,0|2,0,1]=4 106 B5R0.5 O=C(O)C(F)Br 8446AJ [0,1,0,0,0,0|2,0,1]=4 107 B5R0.5 O=C(O)C(F)Cl 4068AE [0,1,0,0,0,0|2,0,1]=4 108 B5R1.2 C=C1CCC1 3599AL [0,0,0,1,0,0|2,0,1]=4 109 B5R1.2 IC1CNC1 2304AJ [0,0,0,1,0,0|2,0,0]=3 110 B5R1.2 NC1CSC1 V9418 [0,0,0,1,0,0|1,1,0]=3 111 B5R1.2 OC1CSC1 Z6583 [0,0,0,1,0,0|0,1,0]=2 112 B5R1.3 CNC1CC1 X4771 [0,0,0,1,0,0|3,0,0]=4 113 B5R1.3 FCC1CO1 1377AQ [0,0,0,1,0,0|1,0,0]=2 114 B5R1.3 OCC1CO1 Y6562 [0,0,0,1,0,0|0,0,0]=1 115 B5R1.3 [C-]#[N+]C1CC1 6101AE [0,0,0,1,0,0|3,0,0]=4 116 B5R1.4 N[C@@H]1C[C@H]1N 3501AB [0,0,0,1,0,0|2,0,0]=3 117 B5R1.5 CC1(C)CN1 8787AD [0,0,0,1,0,0|2,0,0]=3 118 B5R1.5 CC1(C)CS1 8089AL [0,0,0,1,0,0|1,1,0]=3 119 B2R0.1 C=NO 8435AF [2,0,0,0,0,0|1,0,1]=4 120 B2R0.1 O[Pt]O 4927AB [2,0,0,0,0,0|1,0,0]=3 121 B4R0.2 C#CCON 4433AJ [1,1,0,0,0,0|0,0,2]=4 122 B4R0.2 C=C=CCO 0432AQ [1,1,0,0,0,0|0,0,2]=4 123 B4R0.2 CCC=NO 0148AQ [1,1,0,0,0,0|0,0,1]=3 124 B4R0.2 CCCCF 8004AD [1,1,0,0,0,0|1,0,0]=3 125 B4R0.2 CCCNN 4415AE [1,1,0,0,0,0|1,0,0]=3 126 B4R0.2 CCCOC 4896AL [1,1,0,0,0,0|0,0,0]=2 127 B4R0.2 CCCON 6597AE [1,1,0,0,0,0|0,0,0]=2 128 B4R0.2 CCCSC U677 [1,1,0,0,0,0|0,1,0]=3 129 B4R0.2 CCSCC E138 [1,1,0,0,0,0|1,0,0]=3 130 B4R0.2 CNCC#N 8258AL [1,1,0,0,0,0|1,0,1]=4 131 B4R0.2 CSCCBr Y1764 [1,1,0,0,0,0|1,0,0]=3 132 B4R0.2 C\C=C/CC 7428AL [1,1,0,0,0,0|1,0,1]=4 133 B4R0.2 N#CCCS 0102AP [1,1,0,0,0,0|0,1,1]=4 134 B4R0.2 NCCON 6473AB [1,1,0,0,0,0|1,0,0]=3 135 B4R0.2 NCCON 7871AA [1,1,0,0,0,0|1,0,0]=3 136 B4R0.3 CC(C)(C)N 9036AL [1,1,0,0,0,0|1,0,0]=3 137 B4R0.3 CP(C)(=S)Cl 7720AL [1,1,0,0,0,0|1,1,0]=4 138 B4R0.3 C[Ge](C)(C)Cl Y1383 [1,1,0,0,0,0|1,1,0]=4 139 B4R0.3 C[N+](C)(C)N Y0552 [1,1,0,0,0,0|2,0,0]=4 140 B4R0.3 C[Sn](C)(Cl)Cl 6867AF [1,1,0,0,0,0|2,0,0]=4 141 B4R0.3 O=P([O-])(O)O 5366AA [1,1,0,0,0,0|2,0,0]=4 142 B4R0.3 O=S(=O)(O)O 8257AL [1,1,0,0,0,0|2,0,0]=4 143 B4R0.3 O=S(=O)(O)O K629 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.1 C#CC(O)CCC X7102 [0,2,0,0,0,0|1,0,1]=4 145 B6R0.1 C#CCC(O)CC 6781AL [0,2,0,0,0,0|1,0,0]=3 146 B6R0.1 C=CC(C)CCC 6092AL [0,2,0,0,0,0|2,0,0]=4 147 B6R0.1 CC(\C=N\O)=N/O P687 [0,2,0,0,0,0|0,0,2]=4 148 B6R0.1 CCC(O)CNN 2943AE [0,2,0,0,0,0|1,0,0]=3 149 B6R0.1 CCCC(Br)CC 3975AB [0,2,0,0,0,0|2,0,0]=4 150 B6R0.1 CCCC(C)CC 7810AF [0,2,0,0,0,0|2,0,0]=4 151 B6R0.1 CCCC(C)CO 1207AA [0,2,0,0,0,0|1,0,0]=3 152 B6R0.1 CCCC(O)CC 7557AF [0,2,0,0,0,0|1,0,0]=3 153 B6R0.1 CCC[C@@H](N)CO 2554AC [0,2,0,0,0,0|1,0,0]=3 154 B6R0.1 CCNC(C)CC 7145AD [0,2,0,0,0,0|2,0,0]=4 155 B6R0.1 CCNC(C)CO 8218AD [0,2,0,0,0,0|1,0,0]=3 156 B6R0.1 CCOC(C)CC 8956AL [0,2,0,0,0,0|1,0,0]=3 157 B6R0.1 CCOC(C)CN 0082AD [0,2,0,0,0,0|1,0,0]=3 158 B6R0.1 CC[C@H](C)CCO 4202AL [0,2,0,0,0,0|1,0,0]=3 159 B6R0.1 CNC(=O)CCO 8079AE [0,2,0,0,0,0|0,0,2]=4 160 B6R0.1 CNC(C)CCO 8891AD [0,2,0,0,0,0|1,0,0]=3 161 B6R0.1 CNCC(C)OC 1691AF [0,2,0,0,0,0|1,0,0]=3 162 B6R0.1 N\C(CCO)=N/O 5078AE [0,2,0,0,0,0|1,0,1]=4 163 B6R0.1 OCC[C@@H](O)CO W7968 [0,2,0,0,0,0|0,0,0]=2 164 B6R0.1 O[C@H](CBr)CCBr 9809AB [0,2,0,0,0,0|1,0,0]=3 165 B6R0.2 CC(C)CC(C)Br 3157AB [0,2,0,0,0,0|2,0,0]=4 166 B6R0.2 CC(C)CC(C)C 7809AF [0,2,0,0,0,0|2,0,0]=4 167 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [0,2,0,0,0,0|0,0,1]=3 168 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,2,0,0,0,0|1,0,0]=3 169 B6R0.3 CC(=O)C(N)CO 6844AC [0,2,0,0,0,0|1,0,0]=3 170 B6R0.3 CC(C)C(O)C#N 4772AD [0,2,0,0,0,0|1,0,0]=3 171 B6R0.3 CC(C)[C@H](N)CO 8725AA [0,2,0,0,0,0|1,0,0]=3 172 B6R0.3 CC(CS)C(=O)O Y3236 [0,2,0,0,0,0|0,1,0]=3 173 B6R0.3 CCC(=O)C(C)Br 5539AL [0,2,0,0,0,0|2,0,0]=4 174 B6R0.3 CCC(=O)C(C)S 5675AL [0,2,0,0,0,0|1,1,0]=4 175 B6R0.3 CCC(C)C(C)=O U423 [0,2,0,0,0,0|1,0,1]=4 176 B6R0.3 CCC(C)C(C)C 5239AL [0,2,0,0,0,0|2,0,0]=4 177 B6R0.3 CCC(O)C(=O)[O-] 8154AL [0,2,0,0,0,0|0,0,2]=4 178 B6R0.3 CCC(S)C(C)=O 9471AJ [0,2,0,0,0,0|1,1,0]=4 179 B6R0.3 CC[C@@H](C)C(=O)O 1204AL [0,2,0,0,0,0|1,0,0]=3 180 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,2,0,0,0,0|1,0,1]=4 181 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [0,2,0,0,0,0|1,0,1]=4 182 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [0,2,0,0,0,0|1,0,1]=4 183 B6R0.3 CN[C@H](C)C(=O)O Z5607 [0,2,0,0,0,0|1,0,1]=4 184 B6R0.3 COC(=O)[C@@H](C)Cl X3442 [0,2,0,0,0,0|1,0,1]=4 185 B6R0.3 CSC(C)C(=O)O 6148AE [0,2,0,0,0,0|0,1,1]=4 186 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,2,0,0,0,0|1,0,0]=3 187 B6R0.3 NC(=O)C(N)CO 2131AB [0,2,0,0,0,0|1,0,1]=4 188 B6R0.3 NC[C@H](N)C(=O)O 0179AB [0,2,0,0,0,0|1,0,1]=4 189 B6R0.3 N[C@@H](CCl)C(=O)O Z5908 [0,2,0,0,0,0|1,0,1]=4 190 B6R0.3 N[C@@H](CO)C(=O)O Z6084 [0,2,0,0,0,0|1,0,0]=3 191 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [0,2,0,0,0,0|1,0,1]=4 192 B6R0.3 O=C(O)C(Br)CF 0454AQ [0,2,0,0,0,0|1,0,1]=4 193 B6R0.3 O=C(O)C(Cl)CO 0455AQ [0,2,0,0,0,0|1,0,0]=3 194 B6R0.3 O=C(O)C(O)CCl 2399AL [0,2,0,0,0,0|0,0,1]=3 195 B6R0.3 O=C([O-])C(O)CO 7310AL [0,2,0,0,0,0|0,0,1]=3 196 B6R0.4 C=CCCC(C)C 6791AL [0,2,0,0,0,0|2,0,0]=4 197 B6R0.4 CC(C)CCCCl 6814AE [0,2,0,0,0,0|2,0,0]=4 198 B6R0.4 CC(C)NCC#N Y7768 [0,2,0,0,0,0|2,0,0]=4 199 B6R0.4 CC(C)NCCCl 9576AB [0,2,0,0,0,0|2,0,0]=4 200 B6R0.4 CC(C)SCCCl 3252AE [0,2,0,0,0,0|2,0,0]=4 201 B6R0.4 CCCCC(C)Br 5535AL [0,2,0,0,0,0|2,0,0]=4 202 B6R0.4 CCCCC(C)C 5734AL [0,2,0,0,0,0|2,0,0]=4 203 B6R0.4 CCCCC(C)Cl 5578AL [0,2,0,0,0,0|2,0,0]=4 204 B6R0.4 CCCCC(C)N 7573AF [0,2,0,0,0,0|2,0,0]=4 205 B6R0.4 CCCCC(C)O 9467AB [0,2,0,0,0,0|1,0,0]=3 206 B6R0.4 CCOCC(C)N 0535AD [0,2,0,0,0,0|1,0,0]=3 207 B6R0.4 C\C=C\CC(C)C 6798AL [0,2,0,0,0,0|2,0,0]=4 208 B6R0.4 O=C(O)C#CCO 1204AC [0,2,0,0,0,0|1,0,1]=4 209 B6R0.5 C=CCC(C)(C)C 6312AL [0,2,0,0,0,0|2,0,0]=4 210 B6R0.5 CC(C)(C)CC#N X4017 [0,2,0,0,0,0|2,0,0]=4 211 B6R0.5 CC(C)(O)CCCl 0206AB [0,2,0,0,0,0|1,0,0]=3 212 B6R0.5 CNCC(C)(C)C 0063AE [0,2,0,0,0,0|2,0,0]=4 213 B6R0.5 COCC(C)(C)N Y8196 [0,2,0,0,0,0|1,0,0]=3 214 B6R0.5 C[N+](C)(C)CCO 2907AC [0,2,0,0,0,0|2,0,0]=4 215 B6R0.8 CCC(C)(N)CC 1117AE [0,2,0,0,0,0|2,0,0]=4 216 B6R0.8 CCC(C)(O)C#N 5636AB [0,2,0,0,0,0|1,0,0]=3 217 B6R0.8 COC(C)(C)ON 8694AL [0,2,0,0,0,0|2,0,0]=4 218 B6R0.8 CO[Si](C)(C)CCl 3205AL [0,2,0,0,0,0|1,1,0]=4 219 B6R0.8 ClCC(Cl)(Cl)CCl S700 [0,2,0,0,0,0|2,0,0]=4 220 B6R0.9 CCC(CC)NC 7289AJ [0,2,0,0,0,0|2,0,0]=4 221 B6R0.9 CCC(CC)NN 1078AD [0,2,0,0,0,0|2,0,0]=4 222 B6R0.9 CCC(CN)OC 8133AC [0,2,0,0,0,0|1,0,0]=3 223 B6R0.9 CCC(CN)OC X2088 [0,2,0,0,0,0|1,0,0]=3 224 B6R0.9 CCC(CO)OC 5682AL [0,2,0,0,0,0|0,0,0]=2 225 B6R0.9 CCC(OC)OC 8873AL [0,2,0,0,0,0|1,0,0]=3 226 B6R0.7 CC(=O)C(C)(C)O X0229 [0,2,0,0,0,0|0,0,2]=4 227 B6R0.7 CC(Br)C(C)(Br)Br 5080AL [0,2,0,0,0,0|2,0,0]=4 228 B6R0.7 CC(C)(Cl)C(=O)O 8852AB [0,2,0,0,0,0|1,0,1]=4 229 B6R0.7 CC(C)C(C)(C)C 5081AL [0,2,0,0,0,0|2,0,0]=4 230 B6R0.7 CC(C)C(C)(C)N Y5738 [0,2,0,0,0,0|2,0,0]=4 231 B6R0.7 CC(N)P(=O)(O)O 9663AJ [0,2,0,0,0,0|2,0,0]=4 232 B6R0.7 C[C@@H](O)C(F)(F)F 0965AQ [0,2,0,0,0,0|1,0,0]=3 233 B4R1.1 C1CSC1 7055AF [1,0,0,1,0,0|0,1,0]=3 234 B4R1.2 C[C@H]1CN1 1289AL [1,0,0,1,0,0|1,0,0]=3 235 B6R1.2 CC1=CCCO1 0728AQ [0,1,0,1,0,0|1,0,1]=4 236 B6R1.2 CC1CCCN1 0591AQ [0,1,0,1,0,0|2,0,0]=4 237 B6R1.2 CC1CCCS1 7972AJ [0,1,0,1,0,0|1,1,0]=4 238 B6R1.2 CC1CCNC1 X9461 [0,1,0,1,0,0|2,0,0]=4 239 B6R1.2 CC1CCOC1 6124AL [0,1,0,1,0,0|1,0,0]=3 240 B6R1.2 CC1COCO1 6593AL [0,1,0,1,0,0|0,0,0]=2 241 B6R1.2 CC1OCCO1 7260AF [0,1,0,1,0,0|1,0,0]=3 242 B6R1.2 C[C@@H]1CCCN1 V2030 [0,1,0,1,0,0|2,0,0]=4 243 B6R1.2 FC1CCCC1 7941AL [0,1,0,1,0,0|2,0,0]=4 244 B6R1.2 FC1CCNC1 W3697 [0,1,0,1,0,0|2,0,0]=4 245 B6R1.2 FC1CCNC1 X9172 [0,1,0,1,0,0|2,0,0]=4 246 B6R1.2 F[C@H]1CCNC1 9169AH [0,1,0,1,0,0|2,0,0]=4 247 B6R1.2 NC1CCOC1 W9158 [0,1,0,1,0,0|1,0,0]=3 248 B6R1.2 N[C@H]1CCNC1 N118 [0,1,0,1,0,0|2,0,0]=4 249 B6R1.2 N[C@H]1CCOC1 W4304 [0,1,0,1,0,0|1,0,0]=3 250 B6R1.2 OC1CNOC1 0177AF [0,1,0,1,0,0|0,0,0]=2 251 B6R1.2 O[C@H]1CCSC1 Y1948 [0,1,0,1,0,0|0,1,0]=3 252 B6R1.3 BrCCC1CC1 8486AH [0,1,0,1,0,0|2,0,0]=4 253 B6R1.3 CCCC1CO1 4468AL [0,1,0,1,0,0|1,0,0]=3 254 B6R1.3 CCNC1CC1 2347AB [0,1,0,1,0,0|2,0,0]=4 255 B6R1.3 CCNC1CC1 3977AJ [0,1,0,1,0,0|2,0,0]=4 256 B6R1.3 COC[C@@H]1CO1 9238AJ [0,1,0,1,0,0|0,0,0]=2 257 B6R1.3 COC[C@H]1CO1 9221AJ [0,1,0,1,0,0|0,0,0]=2 258 B6R1.3 CONC1CC1 Z3770 [0,1,0,1,0,0|2,0,0]=4 259 B6R1.3 ICCC1CC1 8514AH [0,1,0,1,0,0|2,0,0]=4 260 B6R1.3 NNCC1CC1 4780AJ [0,1,0,1,0,0|2,0,0]=4 261 B6R1.5 CN1CC(N)C1 6718AC [0,1,0,1,0,0|2,0,0]=4 262 B6R1.5 CN1CC(O)C1 8767AC [0,1,0,1,0,0|1,0,0]=3 263 B6R1.5 NC1CC(O)C1 3558AA [0,1,0,1,0,0|1,0,0]=3 264 B6R1.5 NC1CC(O)C1 Z3827 [0,1,0,1,0,0|1,0,0]=3 265 B6R1.11 CC(=O)C1CO1 3696AE [0,1,0,1,0,0|0,0,2]=4 266 B6R1.11 O=C(O)C1CN1 7766AB [0,1,0,1,0,0|1,0,1]=4 267 B6R1.6 CNC1CNC1 1896AB [0,1,0,1,0,0|2,0,0]=4 268 B6R1.6 COC1CNC1 Y5064 [0,1,0,1,0,0|1,0,0]=3 269 B6R1.6 ClCC1COC1 2027AJ [0,1,0,1,0,0|1,0,0]=3 270 B6R1.6 NCC1CCN1 0858AA [0,1,0,1,0,0|2,0,0]=4 271 B6R1.6 NCC1CCN1 6521AH [0,1,0,1,0,0|2,0,0]=4 272 B6R1.6 NCC1CCO1 V8594 [0,1,0,1,0,0|1,0,0]=3 273 B6R1.6 NCC1CNC1 2747AA [0,1,0,1,0,0|2,0,0]=4 274 B6R1.6 NCC1COC1 W7450 [0,1,0,1,0,0|1,0,0]=3 275 B6R1.6 NNC1CCC1 3961AJ [0,1,0,1,0,0|2,0,0]=4 276 B6R1.6 O=CC1COC1 5573AA [0,1,0,1,0,0|0,0,1]=3 277 B6R1.7 C[C@]1(CO)CO1 1288AL [0,1,0,1,0,0|0,0,0]=2