0 B4R0.1 C#CC(C)N 3873AJ [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C#C[C@@H](C)O 4141AL [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C#C[C@H](C)N 9107AH [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C#C[C@H](C)O 4183AL [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C=C(F)CCl 6785AE [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 C=C=C(C)C 6086AL [0,0,0,0,0,0|1,0,2]=3 6 B4R0.1 C=NN(C)C 7943AL [0,0,0,0,0,0|3,0,0]=3 7 B4R0.1 CC(=N)NN 5131AB [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 CC(=O)NBr 6847AF [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 CC(O)CF 7060AF [0,0,0,0,0,0|2,0,0]=2 10 B4R0.1 CCC(=O)Br C859 [0,0,0,0,0,0|3,0,1]=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|3,0,1]=4 13 B4R0.1 CSC(C)C 8107AL [0,0,0,0,0,0|2,0,0]=2 14 B4R0.1 CS[S+](C)C 7703AL [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 C[C@@H](O)CN V4887 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.1 C[C@H](O)CCl E885 [0,0,0,0,0,0|2,0,0]=2 17 B4R0.1 C\C(N)=N/O 5291AE [0,0,0,0,0,0|2,0,1]=3 18 B4R0.1 C\C=C(/C)Cl 5560AL [0,0,0,0,0,0|2,0,2]=4 19 B4R0.1 C\C=C(\C)Cl 4247AL [0,0,0,0,0,0|2,0,2]=4 20 B4R0.1 FC(Cl)CCl 3256AE [0,0,0,0,0,0|3,0,0]=3 21 B4R0.1 N=C(N)CO 6468AB [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 N=C(N)CO X6638 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 NCC(=O)O 7986AL [0,0,0,0,0,0|3,0,1]=4 24 B4R0.1 NCC(=O)[O-] P522 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.1 NCC(=O)[O-] Z1943 [0,0,0,0,0,0|3,0,1]=4 26 B3R0.1 CCCF 3973AE [1,0,0,0,0,0|1,0,0]=2 27 B3R0.1 CCCN 8883AL [1,0,0,0,0,0|1,0,0]=2 28 B3R0.1 C\C=C\Br 4765AL [1,0,0,0,0,0|1,0,2]=4 29 B3R0.1 NCCN 4103AL [1,0,0,0,0,0|2,0,0]=3 30 B3R0.1 NCCN 6791AA [1,0,0,0,0,0|2,0,0]=3 31 B3R0.1 NCCN 6876AF [1,0,0,0,0,0|2,0,0]=3 32 B3R0.1 NCCN 7518AA [1,0,0,0,0,0|2,0,0]=3 33 B3R0.1 NCCN 9393AJ [1,0,0,0,0,0|2,0,0]=3 34 B3R0.1 NCCN E395 [1,0,0,0,0,0|2,0,0]=3 35 B3R0.2 C=[N+](C)C X4459 [1,0,0,0,0,0|1,0,1]=3 36 B3R0.2 CC(=N)N 6978AL [1,0,0,0,0,0|2,0,1]=4 37 B3R0.2 CC(=O)[O-] Y2043 [1,0,0,0,0,0|1,0,2]=4 38 B3R0.2 CC(=O)[O-] Y2049 [1,0,0,0,0,0|1,0,2]=4 39 B3R0.2 CC(Br)Br 4360AL [1,0,0,0,0,0|2,0,0]=3 40 B3R0.2 C[PH](C)=O 3279AL [1,0,0,0,0,0|1,0,1]=3 41 B3R0.2 C[S+](C)C 9165AJ [1,0,0,0,0,0|1,0,0]=2 42 B3R0.2 ClC(Cl)Br 8444AJ [1,0,0,0,0,0|3,0,0]=4 43 B3R0.2 O=C([O-])O 6221AA [1,0,0,0,0,0|2,0,1]=4 44 B3R0.2 O=S(O)O 8693AF [1,0,0,0,0,0|3,0,0]=4 45 B3R0.2 O=[N+]([O-])O J70010 [1,0,0,0,0,0|3,0,0]=4 46 B3R0.2 [O-]P([O-])O 5246AF [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 C#CCC(C)O 6664AL [0,1,0,0,0,0|2,0,0]=3 48 B5R0.1 C=C(C)CCBr Z4377 [0,1,0,0,0,0|1,0,2]=4 49 B5R0.1 C=C(C)CON 4430AJ [0,1,0,0,0,0|0,0,2]=3 50 B5R0.1 C=CCC(=C)C 5694AL [0,1,0,0,0,0|1,0,2]=4 51 B5R0.1 C=COC(C)C 3476AL [0,1,0,0,0,0|1,0,1]=3 52 B5R0.1 CC#CC(C)C 6601AL [0,1,0,0,0,0|1,0,1]=3 53 B5R0.1 CC(Br)CC#N 6005AL [0,1,0,0,0,0|2,0,0]=3 54 B5R0.1 CC(C)=CCCl 7671AJ [0,1,0,0,0,0|1,0,1]=3 55 B5R0.1 CC(C)CCCl 7326AF [0,1,0,0,0,0|1,0,0]=2 56 B5R0.1 CC(C)CON 7310AJ [0,1,0,0,0,0|0,0,0]=1 57 B5R0.1 CC(C)C[Mg]Br 8722AJ [0,1,0,0,0,0|1,0,0]=2 58 B5R0.1 CC(C)N=[N+]=[N-] 8218AE [0,1,0,0,0,0|2,0,0]=3 59 B5R0.1 CC(O)CON 3604AB [0,1,0,0,0,0|1,0,0]=2 60 B5R0.1 CCC=C(C)C 7499AF [0,1,0,0,0,0|1,0,1]=3 61 B5R0.1 CCOC(C)C 7879AL [0,1,0,0,0,0|1,0,0]=2 62 B5R0.1 CCSC(C)C 7880AL [0,1,0,0,0,0|1,0,0]=2 63 B5R0.1 CNCC(C)=O 4565AF [0,1,0,0,0,0|2,0,1]=4 64 B5R0.1 CNCC(C)C 8603AL [0,1,0,0,0,0|1,0,0]=2 65 B5R0.1 CNCC(C)O 5343AD [0,1,0,0,0,0|2,0,0]=3 66 B5R0.1 CNCC(F)F 8440AH [0,1,0,0,0,0|3,0,0]=4 67 B5R0.1 COCC(=N)N 1769AJ [0,1,0,0,0,0|2,0,1]=4 68 B5R0.1 COCC(C)N 0442AC [0,1,0,0,0,0|1,0,0]=2 69 B5R0.1 COC[C@H](C)O W4988 [0,1,0,0,0,0|1,0,0]=2 70 B5R0.1 CS(=O)CCN 4290AE [0,1,0,0,0,0|3,0,0]=4 71 B5R0.1 C[C@@H](O)CC#N 1173AL [0,1,0,0,0,0|2,0,0]=3 72 B5R0.1 C[C@H](N)CCO 3502AC [0,1,0,0,0,0|1,0,0]=2 73 B5R0.1 C\C(Cl)=C/CCl 4550AL [0,1,0,0,0,0|2,0,1]=4 74 B5R0.1 C\C(Cl)=C\CN 9653AD [0,1,0,0,0,0|2,0,1]=4 75 B5R0.1 C\C(Cl)=C\CO X6578 [0,1,0,0,0,0|1,0,1]=3 76 B5R0.1 C\C=C\C(C)C 7501AF [0,1,0,0,0,0|1,0,1]=3 77 B5R0.1 NOCC(=O)O 2959AB [0,1,0,0,0,0|2,0,1]=4 78 B5R0.3 C#CC(O)CC X7089 [0,1,0,0,0,0|2,0,1]=4 79 B5R0.3 C=CC(C)ON 4429AJ [0,1,0,0,0,0|2,0,1]=4 80 B5R0.3 C=C[C@H](N)CO 2392AL [0,1,0,0,0,0|1,0,1]=3 81 B5R0.3 CC(CN)CN 1710AB [0,1,0,0,0,0|1,0,0]=2 82 B5R0.3 CCC(=O)CN X8894 [0,1,0,0,0,0|2,0,1]=4 83 B5R0.3 CCC(=O)CO X5132 [0,1,0,0,0,0|1,0,1]=3 84 B5R0.3 CCC(=S)OC R571 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.3 CCC(C)C#N 9871AA [0,1,0,0,0,0|1,0,1]=3 86 B5R0.3 CCC(C)CCl U282 [0,1,0,0,0,0|1,0,0]=2 87 B5R0.3 CCC(C)CS U578 [0,1,0,0,0,0|0,1,0]=2 88 B5R0.3 CCC(C)NN 9798AD [0,1,0,0,0,0|2,0,0]=3 89 B5R0.3 CCC(O)C#N 7246AF [0,1,0,0,0,0|2,0,1]=4 90 B5R0.3 CCC(O)CBr 4766AL [0,1,0,0,0,0|2,0,0]=3 91 B5R0.3 CCC(S)CS 4441AL [0,1,0,0,0,0|1,1,0]=3 92 B5R0.3 CNC(C)C#N V3698 [0,1,0,0,0,0|1,0,1]=3 93 B5R0.3 CN[C@@H](C)CO X7940 [0,1,0,0,0,0|0,0,0]=1 94 B5R0.3 COC(C)C#N 0627AE [0,1,0,0,0,0|1,0,1]=3 95 B5R0.3 CO[SiH](C)OC I516 [0,1,0,0,0,0|2,1,0]=4 96 B5R0.3 C\C=C(/C)CC 0241AQ [0,1,0,0,0,0|1,0,1]=3 97 B5R0.3 C\C=C(/C)CC 9220AL [0,1,0,0,0,0|1,0,1]=3 98 B5R0.3 C\C=C(\C)CC 7440AL [0,1,0,0,0,0|1,0,1]=3 99 B5R0.3 FCC(Br)CBr 3889AE [0,1,0,0,0,0|2,0,0]=3 100 B5R0.3 NCC(Br)CBr 5327AJ [0,1,0,0,0,0|2,0,0]=3 101 B5R0.3 N\C(CCl)=N/O 0296AE [0,1,0,0,0,0|2,0,1]=4 102 B5R0.3 N\C(CO)=N\O 9010AE [0,1,0,0,0,0|2,0,1]=4 103 B5R0.3 O=C[C@@H](O)CO I485 [0,1,0,0,0,0|1,0,1]=3 104 B5R0.3 O=C[C@H](O)CO I433 [0,1,0,0,0,0|1,0,1]=3 105 B5R0.3 OC(CCl)CBr 7042AF [0,1,0,0,0,0|2,0,0]=3 106 B5R0.3 OC[C@@H](O)CF 1216AL [0,1,0,0,0,0|1,0,0]=2 107 B5R0.4 C=C[Si](C)(C)Cl 8469AJ [0,1,0,0,0,0|1,1,1]=4 108 B5R0.4 CC(C)(Br)C=O 5926AA [0,1,0,0,0,0|0,0,2]=3 109 B5R0.4 CC(C)(I)C#N 5659AL [0,1,0,0,0,0|1,0,1]=3 110 B5R0.4 CCC(C)(Cl)Cl 5119AL [0,1,0,0,0,0|2,0,0]=3 111 B5R0.4 CS[Si](C)(C)C V3240 [0,1,0,0,0,0|2,1,0]=4 112 B5R0.4 C[Si](C)(C)ON 1405AB [0,1,0,0,0,0|2,1,0]=4 113 B5R0.4 C[Si](Cl)(Cl)CCl 7376AL [0,1,0,0,0,0|2,1,0]=4 114 B5R0.4 FC(Cl)(Br)CBr 8194AD [0,1,0,0,0,0|3,0,0]=4 115 B5R0.4 FC(Cl)(Cl)CCl 0041AF [0,1,0,0,0,0|3,0,0]=4 116 B5R0.4 FCC(F)(Cl)Cl 6189AD [0,1,0,0,0,0|3,0,0]=4 117 B5R0.5 C=C(C)B(O)O X6995 [0,1,0,0,0,0|1,0,2]=4 118 B5R0.5 C=C(C)C(C)C 5230AL [0,1,0,0,0,0|1,0,1]=3 119 B5R0.5 CC(=O)C(C)F 0085AF [0,1,0,0,0,0|1,0,2]=4 120 B5R0.5 CC(Cl)C(Cl)Cl 7030AF [0,1,0,0,0,0|2,0,0]=3 121 B5R0.5 CC(N)C(C)O 7117AF [0,1,0,0,0,0|1,0,0]=2 122 B5R0.5 CC(O)C(=N)N 2094AL [0,1,0,0,0,0|2,0,1]=4 123 B5R0.5 CC(S)C(C)S 9352AJ [0,1,0,0,0,0|1,1,0]=3 124 B5R0.5 CN(C)P(Cl)Cl 6866AF [0,1,0,0,0,0|3,0,0]=4 125 B5R0.5 C[C@@H](O)C(=N)N X6061 [0,1,0,0,0,0|2,0,1]=4 126 B5R0.5 C[C@H](N)C(N)=O 7048AH [0,1,0,0,0,0|1,0,2]=4 127 B5R0.5 FC(F)C(Cl)Cl 4067AE [0,1,0,0,0,0|3,0,0]=4 128 B5R0.5 O=C(O)C(Cl)Br 8168AB [0,1,0,0,0,0|2,0,1]=4 129 B5R0.5 O=C(O)C(F)Br 8446AJ [0,1,0,0,0,0|2,0,1]=4 130 B5R0.5 O=C(O)C(F)Cl 4068AE [0,1,0,0,0,0|2,0,1]=4 131 B5R1.2 IC1CNC1 2304AJ [0,0,0,1,0,0|2,0,0]=3 132 B5R1.3 CNC1CC1 X4771 [0,0,0,1,0,0|2,0,0]=3 133 B5R1.3 [C-]#[N+]C1CC1 6101AE [0,0,0,1,0,0|2,0,0]=3 134 B5R1.4 N[C@@H]1C[C@H]1N 3501AB [0,0,0,1,0,0|2,0,0]=3 135 B5R1.5 CC1(C)CS1 8089AL [0,0,0,1,0,0|0,1,0]=2 136 B2R0.1 CNC 7704AL [2,0,0,0,0,0|1,0,0]=3 137 B2R0.1 O[Pt]O 4927AB [2,0,0,0,0,0|2,0,0]=4 138 B4R0.2 C#CCCI 6186AJ [1,1,0,0,0,0|1,0,1]=4 139 B4R0.2 C#CCON 4433AJ [1,1,0,0,0,0|0,0,2]=4 140 B4R0.2 C=C=CCO 0432AQ [1,1,0,0,0,0|0,0,2]=4 141 B4R0.2 CCCCF 8004AD [1,1,0,0,0,0|1,0,0]=3 142 B4R0.2 CCCCN 7306AL [1,1,0,0,0,0|1,0,0]=3 143 B4R0.2 CCCNN 4415AE [1,1,0,0,0,0|1,0,0]=3 144 B4R0.2 CCCOC 4896AL [1,1,0,0,0,0|0,0,0]=2 145 B4R0.2 CCCSC U677 [1,1,0,0,0,0|0,1,0]=3 146 B4R0.2 CCNCC 7650AL [1,1,0,0,0,0|1,0,0]=3 147 B4R0.2 CNCC#N 8258AL [1,1,0,0,0,0|1,0,1]=4 148 B4R0.2 CSCCCl 7809AB [1,1,0,0,0,0|1,0,0]=3 149 B4R0.2 C\C=C/CC 7428AL [1,1,0,0,0,0|1,0,1]=4 150 B4R0.2 N#CCCS 0102AP [1,1,0,0,0,0|0,1,1]=4 151 B4R0.2 NCCON 7871AA [1,1,0,0,0,0|1,0,0]=3 152 B4R0.2 NCCON W5869 [1,1,0,0,0,0|1,0,0]=3 153 B4R0.3 CC(C)(C)N 9036AL [1,1,0,0,0,0|0,0,0]=2 154 B4R0.3 CP(C)(=S)Cl 7720AL [1,1,0,0,0,0|1,1,0]=4 155 B4R0.3 C[Ge](C)(C)Cl Y1383 [1,1,0,0,0,0|0,1,0]=3 156 B4R0.3 C[N+](C)(C)C 8641AB [1,1,0,0,0,0|1,0,0]=3 157 B4R0.3 C[N+](C)(C)C 9124AL [1,1,0,0,0,0|1,0,0]=3 158 B4R0.3 C[P+](C)(C)C X4911 [1,1,0,0,0,0|1,0,0]=3 159 B4R0.3 C[Pt](C)(C)I 7052AA [1,1,0,0,0,0|1,0,0]=3 160 B4R0.3 C[Sn](C)(Cl)Cl 6867AF [1,1,0,0,0,0|2,0,0]=4 161 B6R0.1 C#CCC(O)CC 6781AL [0,2,0,0,0,0|2,0,0]=4 162 B6R0.1 C=CC(C)CCC 6092AL [0,2,0,0,0,0|1,0,1]=4 163 B6R0.1 CCC(O)CNN 2943AE [0,2,0,0,0,0|2,0,0]=4 164 B6R0.1 CCCC(Br)CC 3975AB [0,2,0,0,0,0|2,0,0]=4 165 B6R0.1 CCCC(C)CC 7810AF [0,2,0,0,0,0|1,0,0]=3 166 B6R0.1 CCCC(C)CO 1207AA [0,2,0,0,0,0|0,0,0]=2 167 B6R0.1 CCCC(O)CC 7557AF [0,2,0,0,0,0|2,0,0]=4 168 B6R0.1 CCNC(C)CC 7145AD [0,2,0,0,0,0|1,0,0]=3 169 B6R0.1 CCOC(C)CN 0082AD [0,2,0,0,0,0|1,0,0]=3 170 B6R0.1 CCOC(C)CN Y4465 [0,2,0,0,0,0|1,0,0]=3 171 B6R0.1 CC[C@@H](N)COC 8948AH [0,2,0,0,0,0|1,0,0]=3 172 B6R0.1 CC[C@H](C)CCO 4202AL [0,2,0,0,0,0|0,0,0]=2 173 B6R0.1 CC[C@H](N)COC 9106AH [0,2,0,0,0,0|1,0,0]=3 174 B6R0.1 CNC(=O)CCO 8079AE [0,2,0,0,0,0|1,0,1]=4 175 B6R0.1 CNCC(C)OC 1691AF [0,2,0,0,0,0|1,0,0]=3 176 B6R0.1 COCC(=O)OC J70196 [0,2,0,0,0,0|1,0,1]=4 177 B6R0.1 C[C@H](CO)CCO 1249AL [0,2,0,0,0,0|0,0,0]=2 178 B6R0.1 N#CCC(O)CCl R248 [0,2,0,0,0,0|2,0,0]=4 179 B6R0.1 OC(CCl)CCCl 4625AL [0,2,0,0,0,0|2,0,0]=4 180 B6R0.1 O[C@H](CBr)CCBr 9809AB [0,2,0,0,0,0|2,0,0]=4 181 B6R0.2 CC(C)CC(C)C 7809AF [0,2,0,0,0,0|1,0,0]=3 182 B6R0.2 CC(C)CC(C)N I823 [0,2,0,0,0,0|1,0,0]=3 183 B6R0.2 CC(C)O[N+](=O)[O-] F423 [0,2,0,0,0,0|1,0,1]=4 184 B6R0.2 CC(N)CN(C)C 8452AC [0,2,0,0,0,0|2,0,0]=4 185 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [0,2,0,0,0,0|1,0,1]=4 186 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,2,0,0,0,0|1,0,1]=4 187 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,2,0,0,0,0|1,0,0]=3 188 B6R0.2 C[C@H](O)CN(C)C 7646AB [0,2,0,0,0,0|1,0,0]=3 189 B6R0.3 CC(=O)C(N)CO 6844AC [0,2,0,0,0,0|1,0,0]=3 190 B6R0.3 CC(C)C(O)C#N 4772AD [0,2,0,0,0,0|0,0,0]=2 191 B6R0.3 CC(C)[C@H](N)CO 8725AA [0,2,0,0,0,0|0,0,0]=2 192 B6R0.3 CC(CN)N(C)C 6653AD [0,2,0,0,0,0|1,0,0]=3 193 B6R0.3 CC(CO)C(=O)O Z7389 [0,2,0,0,0,0|0,0,1]=3 194 B6R0.3 CCC(=O)C(C)Br 5539AL [0,2,0,0,0,0|2,0,0]=4 195 B6R0.3 CCC(=O)C(C)S 5675AL [0,2,0,0,0,0|2,0,0]=4 196 B6R0.3 CCC(C)C(C)=O U423 [0,2,0,0,0,0|1,0,0]=3 197 B6R0.3 CCC(C)C(C)C 5239AL [0,2,0,0,0,0|1,0,0]=3 198 B6R0.3 CCC(S)C(C)=O 9471AJ [0,2,0,0,0,0|2,0,0]=4 199 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,2,0,0,0,0|0,0,2]=4 200 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [0,2,0,0,0,0|1,0,1]=4 201 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [0,2,0,0,0,0|1,0,1]=4 202 B6R0.3 CN(C)C(=O)CI 1440AC [0,2,0,0,0,0|2,0,0]=4 203 B6R0.3 CN(C)C(=O)CN W4015 [0,2,0,0,0,0|2,0,0]=4 204 B6R0.3 CN(C)C(=O)CN Z5718 [0,2,0,0,0,0|2,0,0]=4 205 B6R0.3 COC(=O)[C@@H](C)Cl X3442 [0,2,0,0,0,0|1,0,1]=4 206 B6R0.3 COC(C)C(C)O V6491 [0,2,0,0,0,0|0,0,0]=2 207 B6R0.3 CSC(C)C(=O)O 6148AE [0,2,0,0,0,0|0,0,1]=3 208 B6R0.3 CSC(C)C(C)=O 6125AL [0,2,0,0,0,0|0,0,2]=4 209 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [0,2,0,0,0,0|0,0,1]=3 210 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,2,0,0,0,0|0,0,1]=3 211 B6R0.3 C[C@H](O)[C@H](N)CO Z5595 [0,2,0,0,0,0|1,0,0]=3 212 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [0,2,0,0,0,0|0,0,2]=4 213 B6R0.3 NC(=O)C(N)CO 2131AB [0,2,0,0,0,0|1,0,1]=4 214 B6R0.3 NCC(N)C(=O)O 3293AL [0,2,0,0,0,0|1,0,1]=4 215 B6R0.3 NC[C@H](N)C(=O)O 0179AB [0,2,0,0,0,0|1,0,1]=4 216 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [0,2,0,0,0,0|1,0,1]=4 217 B6R0.3 O=C(O)C(Cl)CO 0455AQ [0,2,0,0,0,0|1,0,1]=4 218 B6R0.3 O=C(O)C(O)CCl 2399AL [0,2,0,0,0,0|1,0,1]=4 219 B6R0.3 O=C([O-])C(O)CO 7310AL [0,2,0,0,0,0|1,0,1]=4 220 B6R0.4 C=C(C)CCCO 2774AL [0,2,0,0,0,0|0,0,2]=4 221 B6R0.4 C=CCCC(C)C 6791AL [0,2,0,0,0,0|1,0,0]=3 222 B6R0.4 CC(C)CCC=O Y1162 [0,2,0,0,0,0|0,0,1]=3 223 B6R0.4 CC(C)CCCCl 6814AE [0,2,0,0,0,0|1,0,0]=3 224 B6R0.4 CC(C)CCCN 7575AF [0,2,0,0,0,0|1,0,0]=3 225 B6R0.4 CC(C)NCC#N Y7768 [0,2,0,0,0,0|1,0,0]=3 226 B6R0.4 CC(C)NCCCl 9576AB [0,2,0,0,0,0|1,0,0]=3 227 B6R0.4 CC(C)OCCN 2664AC [0,2,0,0,0,0|1,0,0]=3 228 B6R0.4 CCCC=C(C)C 5704AL [0,2,0,0,0,0|1,0,1]=4 229 B6R0.4 CCCCC(C)C 5734AL [0,2,0,0,0,0|1,0,0]=3 230 B6R0.4 CCCCC(C)Cl 5578AL [0,2,0,0,0,0|2,0,0]=4 231 B6R0.4 CCCCC(C)O 9467AB [0,2,0,0,0,0|2,0,0]=4 232 B6R0.4 CCCNC(C)C 7560AH [0,2,0,0,0,0|1,0,0]=3 233 B6R0.4 CCCSC(C)C 8111AL [0,2,0,0,0,0|1,0,0]=3 234 B6R0.4 CCNCC(C)O 2626AE [0,2,0,0,0,0|2,0,0]=4 235 B6R0.4 CN(C)CCNN 5929AE [0,2,0,0,0,0|2,0,0]=4 236 B6R0.4 CNCCN(C)C J70105 [0,2,0,0,0,0|2,0,0]=4 237 B6R0.4 COCCC(C)=O B939 [0,2,0,0,0,0|1,0,1]=4 238 B6R0.4 C\C=C\CC(C)C 6798AL [0,2,0,0,0,0|1,0,0]=3 239 B6R0.5 C=CCC(C)(C)C 6312AL [0,2,0,0,0,0|1,0,0]=3 240 B6R0.5 C=COC(C)(C)C 9102AJ [0,2,0,0,0,0|1,0,1]=4 241 B6R0.5 CC(C)(C)CC#N X4017 [0,2,0,0,0,0|1,0,0]=3 242 B6R0.5 CC(C)(C)NC#N 7313AF [0,2,0,0,0,0|1,0,1]=4 243 B6R0.5 CC(C)(O)CCCl 0206AB [0,2,0,0,0,0|1,0,0]=3 244 B6R0.5 CCNC(C)(C)C 3737AE [0,2,0,0,0,0|1,0,0]=3 245 B6R0.5 CNCC(C)(C)C 0063AE [0,2,0,0,0,0|1,0,0]=3 246 B6R0.5 C[N+](C)(C)CCO 2907AC [0,2,0,0,0,0|1,0,0]=3 247 B6R0.5 NOCC(F)(F)F 0558AC [0,2,0,0,0,0|2,0,0]=4 248 B6R0.8 CC(C)(CCl)CCl 3020AB [0,2,0,0,0,0|1,0,0]=3 249 B6R0.8 CC(C)(CN)CO W4996 [0,2,0,0,0,0|0,0,0]=2 250 B6R0.8 CCC(C)(C)CO Y7195 [0,2,0,0,0,0|0,0,0]=2 251 B6R0.8 CCC(C)(N)C#N Z4767 [0,2,0,0,0,0|1,0,1]=4 252 B6R0.8 CCC(C)(N)CC 1117AE [0,2,0,0,0,0|1,0,0]=3 253 B6R0.8 CCC(C)(O)C#N 5636AB [0,2,0,0,0,0|1,0,1]=4 254 B6R0.8 CNC(C)(C)CN 8305AH [0,2,0,0,0,0|1,0,0]=3 255 B6R0.8 COC(C)(C)ON 8694AL [0,2,0,0,0,0|2,0,0]=4 256 B6R0.8 C[Si](C)(CCl)CCl 7221AL [0,2,0,0,0,0|1,1,0]=4 257 B6R0.9 CCC(CC)CBr 2060AE [0,2,0,0,0,0|1,0,0]=3 258 B6R0.9 CCC(CC)NC 7289AJ [0,2,0,0,0,0|1,0,0]=3 259 B6R0.9 CCC(CN)OC X2088 [0,2,0,0,0,0|1,0,0]=3 260 B6R0.9 CCC(CO)OC 5682AL [0,2,0,0,0,0|0,0,0]=2 261 B6R0.9 CCC(OC)OC 8873AL [0,2,0,0,0,0|1,0,0]=3 262 B6R0.9 CC[Si](CC)CC J70030 [0,2,0,0,0,0|1,1,0]=4 263 B6R0.7 CC(=O)C(C)(C)Br Y1567 [0,2,0,0,0,0|0,0,2]=4 264 B6R0.7 CC(=O)C(C)(C)O X0229 [0,2,0,0,0,0|0,0,2]=4 265 B6R0.7 CC(Br)C(C)(Br)Br 5080AL [0,2,0,0,0,0|2,0,0]=4 266 B6R0.7 CC(C)(C)S(=O)Cl 0001AE [0,2,0,0,0,0|1,0,1]=4 267 B6R0.7 CC(C)(C)[S@@]([O-])=S X2035 [0,2,0,0,0,0|1,0,1]=4 268 B6R0.7 CC(C)(Cl)C(=O)O 8852AB [0,2,0,0,0,0|0,0,1]=3 269 B6R0.7 CC(C)(N)C(N)=O 5432AJ [0,2,0,0,0,0|0,0,2]=4 270 B6R0.7 CC(C)(N)C(N)=O 5907AD [0,2,0,0,0,0|0,0,2]=4 271 B6R0.7 CC(C)C(C)(C)C 5081AL [0,2,0,0,0,0|1,0,0]=3 272 B6R0.7 CC(C)C(C)(C)N Y5738 [0,2,0,0,0,0|1,0,0]=3 273 B6R0.7 CC(C)S(=O)(=O)[O-] 7069AF [0,2,0,0,0,0|1,0,1]=4 274 B6R0.7 CC(C)[Si](C)(C)Cl 8728AJ [0,2,0,0,0,0|1,1,0]=4 275 B6R0.7 CC(N)C(C)(C)C 2177AE [0,2,0,0,0,0|1,0,0]=3 276 B6R0.7 CC(N)P(=O)(O)O 9663AJ [0,2,0,0,0,0|2,0,0]=4 277 B6R0.7 C[C@@H](N)C(F)(F)F 1198AL [0,2,0,0,0,0|2,0,0]=4 278 B4R1.1 C1CNC1 F654 [1,0,0,1,0,0|1,0,0]=3 279 B4R1.1 C1CSC1 7055AF [1,0,0,1,0,0|0,1,0]=3 280 B4R1.2 C[C@H]1CN1 1289AL [1,0,0,1,0,0|1,0,0]=3 281 B6R1.2 CC1=CCCC1 9313AJ [0,1,0,1,0,0|1,0,1]=4 282 B6R1.2 CC1CCCN1 0591AQ [0,1,0,1,0,0|1,0,0]=3 283 B6R1.2 CC1CCCS1 7972AJ [0,1,0,1,0,0|1,0,0]=3 284 B6R1.2 CC1CCNC1 X9461 [0,1,0,1,0,0|1,0,0]=3 285 B6R1.2 CC1CCOC1 6124AL [0,1,0,1,0,0|0,0,0]=2 286 B6R1.2 CC1COCO1 6593AL [0,1,0,1,0,0|0,0,0]=2 287 B6R1.2 CC1OCCO1 7260AF [0,1,0,1,0,0|2,0,0]=4 288 B6R1.2 C[C@@H]1CCNC1 1585AB [0,1,0,1,0,0|1,0,0]=3 289 B6R1.2 C[C@H]1CCNC1 W4034 [0,1,0,1,0,0|1,0,0]=3 290 B6R1.2 FC1CCCC1 7941AL [0,1,0,1,0,0|2,0,0]=4 291 B6R1.2 FC1CCNC1 X9172 [0,1,0,1,0,0|2,0,0]=4 292 B6R1.2 F[C@H]1CCNC1 9169AH [0,1,0,1,0,0|2,0,0]=4 293 B6R1.2 NC1CC=CC1 W9476 [0,1,0,1,0,0|2,0,0]=4 294 B6R1.2 NC1CCOC1 W9158 [0,1,0,1,0,0|1,0,0]=3 295 B6R1.2 N[C@H]1CCNC1 N118 [0,1,0,1,0,0|2,0,0]=4 296 B6R1.2 O[C@@H]1CCSC1 1245AL [0,1,0,1,0,0|1,1,0]=4 297 B6R1.2 O[C@H]1CCSC1 Y1948 [0,1,0,1,0,0|1,1,0]=4 298 B6R1.3 BrC#CC1CC1 5100AJ [0,1,0,1,0,0|1,0,1]=4 299 B6R1.3 CCCC1CO1 4468AL [0,1,0,1,0,0|2,0,0]=4 300 B6R1.3 CCNC1CC1 2347AB [0,1,0,1,0,0|1,0,0]=3 301 B6R1.3 CCNC1CC1 3977AJ [0,1,0,1,0,0|1,0,0]=3 302 B6R1.3 CCNC1CC1 4401AJ [0,1,0,1,0,0|1,0,0]=3 303 B6R1.3 COCC1CO1 1812AL [0,1,0,1,0,0|1,0,0]=3 304 B6R1.3 COC[C@@H]1CO1 9238AJ [0,1,0,1,0,0|1,0,0]=3 305 B6R1.3 COC[C@H]1CO1 9221AJ [0,1,0,1,0,0|1,0,0]=3 306 B6R1.3 ICCC1CC1 8514AH [0,1,0,1,0,0|1,0,0]=3 307 B6R1.3 O=C=NC1CC1 X4805 [0,1,0,1,0,0|0,0,2]=4 308 B6R1.3 OCCC1CC1 8510AD [0,1,0,1,0,0|0,0,0]=2 309 B6R1.5 CN1CC(N)C1 6718AC [0,1,0,1,0,0|2,0,0]=4 310 B6R1.5 CN1CC(O)C1 8767AC [0,1,0,1,0,0|1,0,0]=3 311 B6R1.5 NC1CC(O)C1 0869AA [0,1,0,1,0,0|1,0,0]=3 312 B6R1.5 O=C1CC(Br)C1 8034AD [0,1,0,1,0,0|1,0,1]=4 313 B6R1.9 NC1CC1(F)F 8236AC [0,1,0,1,0,0|2,0,0]=4 314 B6R1.10 CC1(C)CCN1 Y7008 [0,1,0,1,0,0|1,0,0]=3 315 B6R1.10 CC1(N)CCC1 X5278 [0,1,0,1,0,0|1,0,0]=3 316 B6R1.10 CC1(N)COC1 6470AA [0,1,0,1,0,0|0,0,0]=2 317 B6R1.10 CC1(N)COC1 W8972 [0,1,0,1,0,0|0,0,0]=2 318 B6R1.11 CC(=O)C1CO1 3696AE [0,1,0,1,0,0|1,0,1]=4 319 B6R1.11 C[C@@H](N)C1CC1 1191AL [0,1,0,1,0,0|1,0,0]=3 320 B6R1.11 O=C(O)C1CN1 7766AB [0,1,0,1,0,0|1,0,1]=4 321 B6R1.6 BrCC1CCO1 6025AC [0,1,0,1,0,0|1,0,0]=3 322 B6R1.6 CNC1CCC1 4414AJ [0,1,0,1,0,0|1,0,0]=3 323 B6R1.6 CNC1CCC1 X2043 [0,1,0,1,0,0|1,0,0]=3 324 B6R1.6 CNC1CNC1 1896AB [0,1,0,1,0,0|1,0,0]=3 325 B6R1.6 COC1CNC1 Y5064 [0,1,0,1,0,0|1,0,0]=3 326 B6R1.6 ICC1CCO1 1038AD [0,1,0,1,0,0|1,0,0]=3 327 B6R1.6 NCC1CCN1 0858AA [0,1,0,1,0,0|1,0,0]=3 328 B6R1.6 NCC1CCN1 6521AH [0,1,0,1,0,0|1,0,0]=3 329 B6R1.6 NCC1CCO1 V8594 [0,1,0,1,0,0|1,0,0]=3 330 B6R1.6 NCC1CNC1 2747AA [0,1,0,1,0,0|1,0,0]=3 331 B6R1.6 NCC1COC1 4443AJ [0,1,0,1,0,0|0,0,0]=2 332 B6R1.6 NCC1COC1 W7450 [0,1,0,1,0,0|0,0,0]=2 333 B6R1.6 NNC1CCC1 3961AJ [0,1,0,1,0,0|2,0,0]=4 334 B6R1.6 O=CC1COC1 5573AA [0,1,0,1,0,0|0,0,1]=3 335 B6R1.6 OCC1CCN1 Z3841 [0,1,0,1,0,0|0,0,0]=2 336 B6R1.6 ON=C1CCC1 3048AB [0,1,0,1,0,0|1,0,1]=4 337 B6R1.7 C[C@]1(CO)CO1 1288AL [0,1,0,1,0,0|0,0,0]=2 338 B6R1.7 NC1(CO)CC1 V2301 [0,1,0,1,0,0|0,0,0]=2 339 B6R1.7 NCC1(O)CC1 W8222 [0,1,0,1,0,0|1,0,0]=3