0 B4R0.2 C#CCCI 6186AJ [0,0,0,0,0,0|1,0,2]=3 1 B4R0.2 C#CCON 4433AJ [0,0,0,0,0,0|1,0,2]=3 2 B4R0.2 C=C=CCO 0432AQ [0,0,0,0,0,0|1,0,3]=4 3 B4R0.2 C=CC[Pd]Cl G754 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.2 CCCCF 8004AD [0,0,0,0,0,0|1,0,0]=1 5 B4R0.2 CCCCN 7306AL [0,0,0,0,0,0|0,0,0]=0 6 B4R0.2 CCCNN 4415AE [0,0,0,0,0,0|1,0,0]=1 7 B4R0.2 CCCOC 4896AL [0,0,0,0,0,0|2,0,0]=2 8 B4R0.2 CCCSC U677 [0,0,0,0,0,0|2,0,0]=2 9 B4R0.2 CCNCC 7650AL [0,0,0,0,0,0|2,0,0]=2 10 B4R0.2 CNCC#N 8258AL [0,0,0,0,0,0|1,0,2]=3 11 B4R0.2 CSCCCl 7809AB [0,0,0,0,0,0|2,0,0]=2 12 B4R0.2 C\C=C/CC 7428AL [0,0,0,0,0,0|1,0,2]=3 13 B4R0.2 C\C=C\SC AMTGC066 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.2 Cl\C=C/CCl 7411AL [0,0,0,0,0,0|2,0,2]=4 15 B4R0.2 N#CCCS 0102AP [0,0,0,0,0,0|1,0,2]=3 16 B4R0.2 NCCON 7871AA [0,0,0,0,0,0|2,0,0]=2 17 B4R0.2 NCCON W5869 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.2 N\C=C/C=O 4699AJ [0,0,0,0,0,0|1,0,3]=4 19 B3R0.1 CCCF 3973AE [1,0,0,0,0,0|1,0,0]=2 20 B3R0.1 CCCN 8883AL [1,0,0,0,0,0|0,0,0]=1 21 B3R0.1 C\C=C\Br 4765AL [1,0,0,0,0,0|1,0,2]=4 22 B3R0.1 NCCN 4103AL [1,0,0,0,0,0|1,0,0]=2 23 B3R0.1 NCCN 6791AA [1,0,0,0,0,0|1,0,0]=2 24 B3R0.1 NCCN 6876AF [1,0,0,0,0,0|1,0,0]=2 25 B3R0.1 NCCN 7518AA [1,0,0,0,0,0|1,0,0]=2 26 B3R0.1 NCCN 9393AJ [1,0,0,0,0,0|1,0,0]=2 27 B3R0.1 NCCN E395 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.1 C#CCC(C)O 6664AL [0,1,0,0,0,0|1,0,1]=3 29 B5R0.1 C=C(C)CCBr Z4377 [0,1,0,0,0,0|1,0,1]=3 30 B5R0.1 C=C(C)CON 4430AJ [0,1,0,0,0,0|1,0,1]=3 31 B5R0.1 C=CCC(=C)C 5694AL [0,1,0,0,0,0|1,0,2]=4 32 B5R0.1 C=CCC(N)=O Y1568 [0,1,0,0,0,0|0,0,3]=4 33 B5R0.1 C=COC(C)C 3476AL [0,1,0,0,0,0|2,0,1]=4 34 B5R0.1 CC#CC(C)C 6601AL [0,1,0,0,0,0|1,0,2]=4 35 B5R0.1 CC(Br)CC#N 6005AL [0,1,0,0,0,0|0,0,2]=3 36 B5R0.1 CC(C)=CCCl 7671AJ [0,1,0,0,0,0|1,0,2]=4 37 B5R0.1 CC(C)CCCl 7326AF [0,1,0,0,0,0|1,0,0]=2 38 B5R0.1 CC(C)CON 7310AJ [0,1,0,0,0,0|1,0,0]=2 39 B5R0.1 CC(C)C[Mg]Br 8722AJ [0,1,0,0,0,0|2,0,0]=3 40 B5R0.1 CC(C)N=[N+]=[N-] 8218AE [0,1,0,0,0,0|2,0,1]=4 41 B5R0.1 CC(O)CON 3604AB [0,1,0,0,0,0|1,0,0]=2 42 B5R0.1 CCC=C(C)C 7499AF [0,1,0,0,0,0|1,0,2]=4 43 B5R0.1 CCOC(C)C 7879AL [0,1,0,0,0,0|2,0,0]=3 44 B5R0.1 CCSC(C)C 7880AL [0,1,0,0,0,0|2,0,0]=3 45 B5R0.1 CNCC(C)=O 4565AF [0,1,0,0,0,0|2,0,1]=4 46 B5R0.1 CNCC(C)C 8603AL [0,1,0,0,0,0|2,0,0]=3 47 B5R0.1 CNCC(C)O 5343AD [0,1,0,0,0,0|2,0,0]=3 48 B5R0.1 CNCC(F)F 8440AH [0,1,0,0,0,0|2,0,0]=3 49 B5R0.1 COCC(=N)N 1769AJ [0,1,0,0,0,0|1,0,1]=3 50 B5R0.1 COCC(C)N 0442AC [0,1,0,0,0,0|1,0,0]=2 51 B5R0.1 COC[C@H](C)O W4988 [0,1,0,0,0,0|2,0,0]=3 52 B5R0.1 CS(=O)CCN 4290AE [0,1,0,0,0,0|1,0,0]=2 53 B5R0.1 CSCC(=N)N 1816AJ [0,1,0,0,0,0|1,0,1]=3 54 B5R0.1 C[C@@H](O)CC#N 1173AL [0,1,0,0,0,0|0,0,2]=3 55 B5R0.1 C[C@H](N)CCO 3502AC [0,1,0,0,0,0|1,0,0]=2 56 B5R0.1 C\C(Cl)=C/CCl 4550AL [0,1,0,0,0,0|1,0,2]=4 57 B5R0.1 C\C(Cl)=C\CN 9653AD [0,1,0,0,0,0|0,0,2]=3 58 B5R0.1 C\C(Cl)=C\CO X6578 [0,1,0,0,0,0|1,0,2]=4 59 B5R0.1 C\C=C\C(C)C 7501AF [0,1,0,0,0,0|1,0,2]=4 60 B5R0.1 NOCC(=O)O 2959AB [0,1,0,0,0,0|2,0,1]=4 61 B5R0.1 O=C(O)CCF 6350AB [0,1,0,0,0,0|2,0,1]=4 62 B5R0.2 BrCC#CCBr 1529AL [0,1,0,0,0,0|1,0,2]=4 63 B5R0.2 C#CCCCBr 9466AL [0,1,0,0,0,0|1,0,1]=3 64 B5R0.2 C=CCCC#N 8813AB [0,1,0,0,0,0|0,0,3]=4 65 B5R0.2 C=CCCCN 7616AH [0,1,0,0,0,0|0,0,1]=2 66 B5R0.2 C=CCCON 2267AA [0,1,0,0,0,0|0,0,2]=3 67 B5R0.2 C=CCOCC 5601AE [0,1,0,0,0,0|1,0,1]=3 68 B5R0.2 C=CCSSC 7031AL [0,1,0,0,0,0|2,0,1]=4 69 B5R0.2 CC#CCCO 6150AL [0,1,0,0,0,0|1,0,1]=3 70 B5R0.2 CCCCOC 7303AL [0,1,0,0,0,0|1,0,0]=2 71 B5R0.2 CCCNCC 8554AL [0,1,0,0,0,0|1,0,0]=2 72 B5R0.2 CCCOCC 7892AL [0,1,0,0,0,0|1,0,0]=2 73 B5R0.2 CCCOCCl 4494AB [0,1,0,0,0,0|1,0,0]=2 74 B5R0.2 CCCSCC R576 [0,1,0,0,0,0|1,0,0]=2 75 B5R0.2 CCOCCCl 7903AJ [0,1,0,0,0,0|1,0,0]=2 76 B5R0.2 CCOCCN 3903AD [0,1,0,0,0,0|0,0,0]=1 77 B5R0.2 CC[Se][Se]CC 7651AL [0,1,0,0,0,0|2,0,0]=3 78 B5R0.2 CC\C=C\C#N 5776AL [0,1,0,0,0,0|0,0,3]=4 79 B5R0.2 CNCCSC 7146AJ [0,1,0,0,0,0|1,0,0]=2 80 B5R0.2 COCCCI 9890AH [0,1,0,0,0,0|1,0,0]=2 81 B5R0.2 COCCON Y9404 [0,1,0,0,0,0|1,0,0]=2 82 B5R0.2 COCN=C=S 6701AD [0,1,0,0,0,0|2,0,1]=4 83 B5R0.2 ClCCOCCl 7247AA [0,1,0,0,0,0|2,0,0]=3 84 B5R0.2 NCC#CCCl 5604AH [0,1,0,0,0,0|0,0,2]=3 85 B5R0.2 NC\C=C/CN Z2171 [0,1,0,0,0,0|0,0,2]=3 86 B5R0.2 NOC\C=C\Cl 3995AC [0,1,0,0,0,0|1,0,2]=4 87 B5R0.2 NOC\C=C\Cl 6798AC [0,1,0,0,0,0|1,0,2]=4 88 B5R0.2 OCC#CCCl 0022AQ [0,1,0,0,0,0|1,0,2]=4 89 B5R0.2 [C-]#[N+]CCOC V5938 [0,1,0,0,0,0|1,0,1]=3 90 B5R0.2 [N-]=[N+]=NCCN 9854AL [0,1,0,0,0,0|2,0,0]=3 91 B5R0.3 C#CC(O)CC X7089 [0,1,0,0,0,0|1,0,1]=3 92 B5R0.3 C=CC(C)ON 4429AJ [0,1,0,0,0,0|1,0,2]=4 93 B5R0.3 C=C[C@H](N)CO 2392AL [0,1,0,0,0,0|1,0,2]=4 94 B5R0.3 CC(CN)CN 1710AB [0,1,0,0,0,0|1,0,0]=2 95 B5R0.3 CCC(=O)CN X8894 [0,1,0,0,0,0|0,0,1]=2 96 B5R0.3 CCC(=O)CO X5132 [0,1,0,0,0,0|1,0,1]=3 97 B5R0.3 CCC(=S)OC R571 [0,1,0,0,0,0|2,0,1]=4 98 B5R0.3 CCC(C)C#N 9871AA [0,1,0,0,0,0|0,0,2]=3 99 B5R0.3 CCC(C)CCl U282 [0,1,0,0,0,0|1,0,0]=2 100 B5R0.3 CCC(C)CS U578 [0,1,0,0,0,0|1,0,0]=2 101 B5R0.3 CCC(C)NN 9798AD [0,1,0,0,0,0|1,0,0]=2 102 B5R0.3 CCC(O)C#N 7246AF [0,1,0,0,0,0|0,0,2]=3 103 B5R0.3 CCC(O)CBr 4766AL [0,1,0,0,0,0|1,0,0]=2 104 B5R0.3 CCC(S)CS 4441AL [0,1,0,0,0,0|1,0,0]=2 105 B5R0.3 CNC(=O)NN 9285AA [0,1,0,0,0,0|2,0,1]=4 106 B5R0.3 CNC(C)C#N V3698 [0,1,0,0,0,0|1,0,2]=4 107 B5R0.3 CN[C@@H](C)CO X7940 [0,1,0,0,0,0|2,0,0]=3 108 B5R0.3 COC(C)C#N 0627AE [0,1,0,0,0,0|1,0,2]=4 109 B5R0.3 C\C=C(/C)CC 0241AQ [0,1,0,0,0,0|1,0,2]=4 110 B5R0.3 C\C=C(/C)CC 9220AL [0,1,0,0,0,0|1,0,2]=4 111 B5R0.3 C\C=C(\C)CC 7440AL [0,1,0,0,0,0|1,0,2]=4 112 B5R0.3 FCC(Br)CBr 3889AE [0,1,0,0,0,0|2,0,0]=3 113 B5R0.3 NCC(Br)CBr 5327AJ [0,1,0,0,0,0|1,0,0]=2 114 B5R0.3 O=C[C@@H](O)CO I485 [0,1,0,0,0,0|2,0,1]=4 115 B5R0.3 O=C[C@H](O)CO I433 [0,1,0,0,0,0|2,0,1]=4 116 B5R0.3 OC(CCl)CBr 7042AF [0,1,0,0,0,0|2,0,0]=3 117 B5R0.3 OC[C@@H](O)CF 1216AL [0,1,0,0,0,0|2,0,0]=3 118 B5R1.1 C1=NNCC1 5793AL [0,0,0,1,0,0|1,0,1]=3 119 B5R1.1 C1CNNC1 Z5309 [0,0,0,1,0,0|1,0,0]=2 120 B5R1.1 C1CSCS1 0673AQ [0,0,0,1,0,0|2,0,0]=3 121 B5R1.2 IC1CNC1 2304AJ [0,0,0,1,0,0|2,0,0]=3 122 B5R1.3 CNC1CC1 X4771 [0,0,0,1,0,0|2,0,0]=3 123 B5R1.3 [C-]#[N+]C1CC1 6101AE [0,0,0,1,0,0|2,0,0]=3 124 B5R1.4 N[C@@H]1C[C@H]1N 3501AB [0,0,0,1,0,0|1,0,0]=2 125 B2R0.1 CNC 7704AL [2,0,0,0,0,0|1,0,0]=3 126 B2R0.1 N=CN 7945AL [2,0,0,0,0,0|1,0,1]=4 127 B4R0.1 C#CC(C)N 3873AJ [1,1,0,0,0,0|0,0,2]=4 128 B4R0.1 C#C[C@@H](C)O 4141AL [1,1,0,0,0,0|0,0,2]=4 129 B4R0.1 C#C[C@H](C)N 9107AH [1,1,0,0,0,0|0,0,2]=4 130 B4R0.1 C#C[C@H](C)O 4183AL [1,1,0,0,0,0|0,0,2]=4 131 B4R0.1 CC(=N)NN 5131AB [1,1,0,0,0,0|1,0,1]=4 132 B4R0.1 CC(O)CF 7060AF [1,1,0,0,0,0|1,0,0]=3 133 B4R0.1 CCC(=O)Br C859 [1,1,0,0,0,0|1,0,1]=4 134 B4R0.1 CC[SiH](Cl)Cl 7902AL [1,1,0,0,0,0|1,1,0]=4 135 B4R0.1 CSC(C)=O 9061AJ [1,1,0,0,0,0|1,0,1]=4 136 B4R0.1 CSC(C)C 8107AL [1,1,0,0,0,0|1,0,0]=3 137 B4R0.1 CS[S+](C)C 7703AL [1,1,0,0,0,0|2,0,0]=4 138 B4R0.1 C[C@@H](O)CN V4887 [1,1,0,0,0,0|0,0,0]=2 139 B4R0.1 C[C@H](O)CCl E885 [1,1,0,0,0,0|1,0,0]=3 140 B4R0.1 C\C=C(/C)Cl 5560AL [1,1,0,0,0,0|0,0,2]=4 141 B4R0.1 C\C=C(\C)Cl 4247AL [1,1,0,0,0,0|0,0,2]=4 142 B4R0.1 FC(Cl)CCl 3256AE [1,1,0,0,0,0|2,0,0]=4 143 B4R0.1 N=C(N)CO 6468AB [1,1,0,0,0,0|1,0,1]=4 144 B4R0.1 N=C(N)CO X6638 [1,1,0,0,0,0|1,0,1]=4 145 B4R0.1 NCC(=O)O 7986AL [1,1,0,0,0,0|1,0,1]=4 146 B4R0.1 NCC(=O)[O-] P522 [1,1,0,0,0,0|1,0,1]=4 147 B4R0.1 NCC(=O)[O-] Z1943 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.1 C#CC(O)CCC X7102 [0,2,0,0,0,0|1,0,0]=3 149 B6R0.1 C#CCC(O)CC 6781AL [0,2,0,0,0,0|1,0,0]=3 150 B6R0.1 C=CC(C)CCC 6092AL [0,2,0,0,0,0|1,0,0]=3 151 B6R0.1 CCC(=O)CSC K829 [0,2,0,0,0,0|1,0,1]=4 152 B6R0.1 CCC(O)CNN 2943AE [0,2,0,0,0,0|0,0,0]=2 153 B6R0.1 CCCC(=O)SC 8847AJ [0,2,0,0,0,0|1,0,1]=4 154 B6R0.1 CCCC(Br)CC 3975AB [0,2,0,0,0,0|1,0,0]=3 155 B6R0.1 CCCC(C)CC 7810AF [0,2,0,0,0,0|1,0,0]=3 156 B6R0.1 CCCC(C)CO 1207AA [0,2,0,0,0,0|1,0,0]=3 157 B6R0.1 CCCC(O)CC 7557AF [0,2,0,0,0,0|1,0,0]=3 158 B6R0.1 CCC\C(N)=N\O 8990AD [0,2,0,0,0,0|0,0,1]=3 159 B6R0.1 CCNC(=S)NN 3859AD [0,2,0,0,0,0|1,0,1]=4 160 B6R0.1 CCNC(C)CC 7145AD [0,2,0,0,0,0|1,0,0]=3 161 B6R0.1 CCOC(=N)CC 8352AC [0,2,0,0,0,0|1,0,1]=4 162 B6R0.1 CCOC(C)CN 0082AD [0,2,0,0,0,0|0,0,0]=2 163 B6R0.1 CCOC(C)CN Y4465 [0,2,0,0,0,0|0,0,0]=2 164 B6R0.1 CC[C@@H](N)COC 8948AH [0,2,0,0,0,0|1,0,0]=3 165 B6R0.1 CC[C@H](C)CCO 4202AL [0,2,0,0,0,0|1,0,0]=3 166 B6R0.1 CC[C@H](N)COC 9106AH [0,2,0,0,0,0|1,0,0]=3 167 B6R0.1 CNC(=O)CCN 4757AE [0,2,0,0,0,0|0,0,1]=3 168 B6R0.1 CNC(=O)CCO 8079AE [0,2,0,0,0,0|1,0,1]=4 169 B6R0.1 CNCC(C)OC 1691AF [0,2,0,0,0,0|1,0,0]=3 170 B6R0.1 COC(=O)CCCl X6204 [0,2,0,0,0,0|1,0,1]=4 171 B6R0.1 C[C@H](CO)CCO 1249AL [0,2,0,0,0,0|1,0,0]=3 172 B6R0.1 N#CCC(O)CCl R248 [0,2,0,0,0,0|0,0,2]=4 173 B6R0.1 OC(CCl)CCCl 4625AL [0,2,0,0,0,0|1,0,0]=3 174 B6R0.1 O[C@H](CBr)CCBr 9809AB [0,2,0,0,0,0|1,0,0]=3 175 B6R0.2 CC(C)CC(C)C 7809AF [0,2,0,0,0,0|1,0,0]=3 176 B6R0.2 CC(C)CC(C)N I823 [0,2,0,0,0,0|0,0,0]=2 177 B6R0.2 CC(N)CN(C)C 8452AC [0,2,0,0,0,0|1,0,0]=3 178 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [0,2,0,0,0,0|2,0,0]=4 179 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,2,0,0,0,0|1,0,1]=4 180 B6R0.2 C[C@H](O)CN(C)C 7646AB [0,2,0,0,0,0|2,0,0]=4 181 B6R0.3 CC(=O)C(N)CO 6844AC [0,2,0,0,0,0|1,0,1]=4 182 B6R0.3 CC(C)C(O)C#N 4772AD [0,2,0,0,0,0|0,0,2]=4 183 B6R0.3 CC(C)[C@H](N)CO 8725AA [0,2,0,0,0,0|1,0,0]=3 184 B6R0.3 CC(CN)N(C)C 6653AD [0,2,0,0,0,0|1,0,0]=3 185 B6R0.3 CCC(=O)C(C)Br 5539AL [0,2,0,0,0,0|1,0,1]=4 186 B6R0.3 CCC(=O)C(C)S 5675AL [0,2,0,0,0,0|1,0,1]=4 187 B6R0.3 CCC(C)C(C)=O U423 [0,2,0,0,0,0|1,0,1]=4 188 B6R0.3 CCC(C)C(C)C 5239AL [0,2,0,0,0,0|1,0,0]=3 189 B6R0.3 CCC(O)C(=O)[O-] 8154AL [0,2,0,0,0,0|1,0,1]=4 190 B6R0.3 CCC(S)C(C)=O 9471AJ [0,2,0,0,0,0|1,0,1]=4 191 B6R0.3 CCN(C)C(=N)N 8784AC [0,2,0,0,0,0|1,0,1]=4 192 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,2,0,0,0,0|0,0,1]=3 193 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [0,2,0,0,0,0|1,0,1]=4 194 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [0,2,0,0,0,0|1,0,1]=4 195 B6R0.3 CN(C)C(=O)CN W4015 [0,2,0,0,0,0|1,0,1]=4 196 B6R0.3 CN(C)C(=O)CN Z5718 [0,2,0,0,0,0|1,0,1]=4 197 B6R0.3 COC(C)C(C)O V6491 [0,2,0,0,0,0|2,0,0]=4 198 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [0,2,0,0,0,0|1,0,1]=4 199 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,2,0,0,0,0|1,0,1]=4 200 B6R0.3 C[C@H](O)[C@H](N)CO Z5595 [0,2,0,0,0,0|1,0,0]=3 201 B6R0.3 NC(=O)C(Br)CBr 5213AL [0,2,0,0,0,0|1,0,1]=4 202 B6R0.3 NC(=O)C(Cl)CCl 5220AL [0,2,0,0,0,0|1,0,1]=4 203 B6R0.3 NC(=O)C(N)CO 2131AB [0,2,0,0,0,0|1,0,1]=4 204 B6R0.3 NCC(N)C(=O)O 3293AL [0,2,0,0,0,0|1,0,1]=4 205 B6R0.3 NC[C@H](N)C(=O)O 0179AB [0,2,0,0,0,0|1,0,1]=4 206 B6R0.4 C=C(C)CCCC 5699AL [0,2,0,0,0,0|1,0,0]=3 207 B6R0.4 C=C(C)CCCO 2774AL [0,2,0,0,0,0|1,0,0]=3 208 B6R0.4 C=CCCC(=C)C 5696AL [0,2,0,0,0,0|1,0,1]=4 209 B6R0.4 C=CCCC(C)C 6791AL [0,2,0,0,0,0|1,0,0]=3 210 B6R0.4 CC(=O)NCCCl W8163 [0,2,0,0,0,0|1,0,1]=4 211 B6R0.4 CC(=O)OCCCl 7237AF [0,2,0,0,0,0|1,0,1]=4 212 B6R0.4 CC(=O)SCCN 5884AD [0,2,0,0,0,0|0,0,1]=3 213 B6R0.4 CC(C)CCC=O Y1162 [0,2,0,0,0,0|1,0,0]=3 214 B6R0.4 CC(C)CCCCl 6814AE [0,2,0,0,0,0|1,0,0]=3 215 B6R0.4 CC(C)CCCN 7575AF [0,2,0,0,0,0|0,0,0]=2 216 B6R0.4 CC(C)NCC#N Y7768 [0,2,0,0,0,0|0,0,2]=4 217 B6R0.4 CC(C)NCCCl 9576AB [0,2,0,0,0,0|1,0,0]=3 218 B6R0.4 CC(C)OCCN 2664AC [0,2,0,0,0,0|0,0,0]=2 219 B6R0.4 CCCC=C(C)C 5704AL [0,2,0,0,0,0|1,0,1]=4 220 B6R0.4 CCCCC(=O)Br 7391AF [0,2,0,0,0,0|1,0,0]=3 221 B6R0.4 CCCCC(C)C 5734AL [0,2,0,0,0,0|1,0,0]=3 222 B6R0.4 CCCCC(C)Cl 5578AL [0,2,0,0,0,0|1,0,0]=3 223 B6R0.4 CCCCC(C)O 9467AB [0,2,0,0,0,0|1,0,0]=3 224 B6R0.4 CCCNC(C)C 7560AH [0,2,0,0,0,0|1,0,0]=3 225 B6R0.4 CCCNC(N)=S 3447AF [0,2,0,0,0,0|0,0,1]=3 226 B6R0.4 CCCO[N+](=O)[O-] X5340 [0,2,0,0,0,0|1,0,1]=4 227 B6R0.4 CCCSC(C)C 8111AL [0,2,0,0,0,0|1,0,0]=3 228 B6R0.4 CCNCC(=O)O X5133 [0,2,0,0,0,0|1,0,1]=4 229 B6R0.4 CCNCC(C)O 2626AE [0,2,0,0,0,0|1,0,0]=3 230 B6R0.4 CN(C)CCNN 5929AE [0,2,0,0,0,0|1,0,0]=3 231 B6R0.4 CNCCC(=O)O 5026AF [0,2,0,0,0,0|1,0,1]=4 232 B6R0.4 CNCCN(C)C J70105 [0,2,0,0,0,0|1,0,0]=3 233 B6R0.4 COCCC(C)=O B939 [0,2,0,0,0,0|1,0,1]=4 234 B6R0.4 C\C=C\CC(C)C 6798AL [0,2,0,0,0,0|1,0,1]=4 235 B6R0.4 N=C(N)NCCO 7232AE [0,2,0,0,0,0|1,0,1]=4 236 B6R0.4 N=C(N)NCCS 1070AH [0,2,0,0,0,0|1,0,1]=4 237 B6R0.4 NC(=O)CCCCl Y1653 [0,2,0,0,0,0|0,0,1]=3 238 B6R0.4 NC(=O)NCCCl 5576AL [0,2,0,0,0,0|1,0,1]=4 239 B6R0.4 NC(=O)OCCCl 7044AF [0,2,0,0,0,0|1,0,1]=4 240 B6R0.4 O=C(O)CCCS 7264AF [0,2,0,0,0,0|1,0,1]=4 241 B6R0.5 C=CCC(C)(C)C 6312AL [0,2,0,0,0,0|1,0,1]=4 242 B6R0.5 CC(C)(C)CC#N X4017 [0,2,0,0,0,0|0,0,2]=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|2,0,0]=4 245 B6R0.5 CCOC(F)(F)F 8177AE [0,2,0,0,0,0|2,0,0]=4 246 B6R0.5 CNCC(C)(C)C 0063AE [0,2,0,0,0,0|2,0,0]=4 247 B6R0.5 CNCC(F)(F)F X2041 [0,2,0,0,0,0|2,0,0]=4 248 B6R0.5 CS(=O)(=O)CCBr 5490AJ [0,2,0,0,0,0|2,0,0]=4 249 B6R0.5 CS(=O)(=O)CCCl 4525AE [0,2,0,0,0,0|2,0,0]=4 250 B6R0.5 C[N+](C)(C)CCO 2907AC [0,2,0,0,0,0|2,0,0]=4 251 B6R0.5 ClCCC(Cl)(Cl)Cl 9273AJ [0,2,0,0,0,0|2,0,0]=4 252 B6R0.5 FC(F)(F)CCBr 3975AE [0,2,0,0,0,0|2,0,0]=4 253 B6R0.5 NOCC(F)(F)F 0558AC [0,2,0,0,0,0|2,0,0]=4 254 B6R0.6 C=CCCCC#N 6777AL [0,2,0,0,0,0|0,0,2]=4 255 B6R0.6 C=CCC\C=C\C 4658AL [0,2,0,0,0,0|1,0,1]=4 256 B6R0.6 C=CCOCCCl 1941AJ [0,2,0,0,0,0|1,0,1]=4 257 B6R0.6 C=CCSCCC R577 [0,2,0,0,0,0|1,0,0]=3 258 B6R0.6 C=COCCCN 0206AC [0,2,0,0,0,0|0,0,1]=3 259 B6R0.6 C=COCCON Y6202 [0,2,0,0,0,0|0,0,2]=4 260 B6R0.6 CC#CCCCC 5638AL [0,2,0,0,0,0|1,0,0]=3 261 B6R0.6 CCCCCC#N 8042AL [0,2,0,0,0,0|0,0,1]=3 262 B6R0.6 CCCCCSC 7567AF [0,2,0,0,0,0|1,0,0]=3 263 B6R0.6 CCCCOCC 7302AL [0,2,0,0,0,0|1,0,0]=3 264 B6R0.6 CCCCOCCl S779 [0,2,0,0,0,0|1,0,0]=3 265 B6R0.6 CCCOCCC 7558AF [0,2,0,0,0,0|1,0,0]=3 266 B6R0.6 CCCOCCN 5789AL [0,2,0,0,0,0|0,0,0]=2 267 B6R0.6 CCCSCCC 7569AF [0,2,0,0,0,0|1,0,0]=3 268 B6R0.6 CCC\C=C/CO 7423AL [0,2,0,0,0,0|1,0,0]=3 269 B6R0.6 CCNCCCN 8239AC [0,2,0,0,0,0|0,0,0]=2 270 B6R0.6 CCNCCCO 5711AJ [0,2,0,0,0,0|1,0,0]=3 271 B6R0.6 CCOCCCO D587 [0,2,0,0,0,0|1,0,0]=3 272 B6R0.6 CCOCCNC 5385AD [0,2,0,0,0,0|0,0,0]=2 273 B6R0.6 CC\C=C\CCC 9219AL [0,2,0,0,0,0|1,0,0]=3 274 B6R0.6 COCCCCN AMTGC536 [0,2,0,0,0,0|0,0,0]=2 275 B6R0.6 COCCN=[N+]=[N-] AMTGC680 [0,2,0,0,0,0|1,0,1]=4 276 B6R0.6 C\C=C/CCCC 7422AL [0,2,0,0,0,0|1,0,0]=3 277 B6R0.6 C\C=C/CCCCl 7455AL [0,2,0,0,0,0|1,0,0]=3 278 B6R0.6 C\C=C\CCCC 7780AF [0,2,0,0,0,0|1,0,0]=3 279 B6R0.6 C\C=C\SCCC U946 [0,2,0,0,0,0|1,0,1]=4 280 B6R0.6 NCCNCCCl 8169AB [0,2,0,0,0,0|0,0,0]=2 281 B6R0.6 NCCOCCN 1537AL [0,2,0,0,0,0|0,0,0]=2 282 B6R0.6 NCCSCCN K553 [0,2,0,0,0,0|0,0,0]=2 283 B6R0.6 NCCSCCO 8189AD [0,2,0,0,0,0|0,0,0]=2 284 B6R0.6 O=CCCCCO Z3600 [0,2,0,0,0,0|1,0,0]=3 285 B6R0.6 S=C=NCCCBr 9053AD [0,2,0,0,0,0|1,0,1]=4 286 B6R0.6 [C-]#[N+]CCCOC Y2595 [0,2,0,0,0,0|0,0,1]=3 287 B6R0.6 [N-]=[N+]=NCCCN 5990AL [0,2,0,0,0,0|1,0,0]=3 288 B6R0.8 CC(C)(CCl)CCl 3020AB [0,2,0,0,0,0|2,0,0]=4 289 B6R0.8 CC(C)(CN)CO W4996 [0,2,0,0,0,0|1,0,0]=3 290 B6R0.8 CCC(C)(C)CO Y7195 [0,2,0,0,0,0|1,0,0]=3 291 B6R0.8 CCC(C)(N)C#N Z4767 [0,2,0,0,0,0|0,0,2]=4 292 B6R0.8 CCC(C)(N)CC 1117AE [0,2,0,0,0,0|1,0,0]=3 293 B6R0.8 CCC(C)(O)C#N 5636AB [0,2,0,0,0,0|0,0,2]=4 294 B6R0.8 CC[Si](Cl)(Cl)CC 8547AJ [0,2,0,0,0,0|1,1,0]=4 295 B6R0.8 CNC(C)(C)CN 8305AH [0,2,0,0,0,0|1,0,0]=3 296 B6R0.8 COC(C)(C)ON 8694AL [0,2,0,0,0,0|2,0,0]=4 297 B6R0.9 CCC(CC)CBr 2060AE [0,2,0,0,0,0|1,0,0]=3 298 B6R0.9 CCC(CC)NC 7289AJ [0,2,0,0,0,0|1,0,0]=3 299 B6R0.9 CCC(CN)OC X2088 [0,2,0,0,0,0|0,0,0]=2 300 B6R0.9 CCC(CO)OC 5682AL [0,2,0,0,0,0|1,0,0]=3 301 B6R0.9 CCC(OC)OC 8873AL [0,2,0,0,0,0|2,0,0]=4 302 B6R0.9 CC[Si](CC)CC J70030 [0,2,0,0,0,0|1,1,0]=4 303 B4R1.1 C1CNC1 F654 [1,0,0,1,0,0|0,0,0]=2 304 B4R1.1 C1CSC1 7055AF [1,0,0,1,0,0|1,0,0]=3 305 B4R1.2 C[C@H]1CN1 1289AL [1,0,0,1,0,0|0,0,0]=2 306 B6R1.2 BrC1=CCCC1 Z8081 [0,1,0,1,0,0|1,0,1]=4 307 B6R1.2 CC1=CCCC1 9313AJ [0,1,0,1,0,0|1,0,0]=3 308 B6R1.2 CC1CCCN1 0591AQ [0,1,0,1,0,0|0,0,0]=2 309 B6R1.2 CC1CCCS1 7972AJ [0,1,0,1,0,0|1,0,0]=3 310 B6R1.2 CC1CCNC1 X9461 [0,1,0,1,0,0|0,0,0]=2 311 B6R1.2 CC1CCOC1 6124AL [0,1,0,1,0,0|1,0,0]=3 312 B6R1.2 CC1COCO1 6593AL [0,1,0,1,0,0|1,0,0]=3 313 B6R1.2 CC1OCCO1 7260AF [0,1,0,1,0,0|1,0,0]=3 314 B6R1.2 C[C@@H]1CCNC1 1585AB [0,1,0,1,0,0|0,0,0]=2 315 B6R1.2 C[C@H]1CCNC1 W4034 [0,1,0,1,0,0|0,0,0]=2 316 B6R1.2 ClC1=CCCC1 9304AJ [0,1,0,1,0,0|1,0,1]=4 317 B6R1.2 FC1CCCC1 7941AL [0,1,0,1,0,0|1,0,0]=3 318 B6R1.2 FC1CCNC1 X9172 [0,1,0,1,0,0|0,0,0]=2 319 B6R1.2 F[C@H]1CCNC1 9169AH [0,1,0,1,0,0|0,0,0]=2 320 B6R1.2 NC1=NCCC1 3788AC [0,1,0,1,0,0|0,0,1]=3 321 B6R1.2 NC1CC=CC1 W9476 [0,1,0,1,0,0|0,0,1]=3 322 B6R1.2 NC1CCOC1 W9158 [0,1,0,1,0,0|0,0,0]=2 323 B6R1.2 NN1CCCC1 8436AA [0,1,0,1,0,0|0,0,0]=2 324 B6R1.2 N[C@H]1CCNC1 N118 [0,1,0,1,0,0|0,0,0]=2 325 B6R1.2 O[C@@H]1CCSC1 1245AL [0,1,0,1,0,0|1,0,0]=3 326 B6R1.2 O[C@H]1CCSC1 Y1948 [0,1,0,1,0,0|1,0,0]=3 327 B6R1.2 S=C1CCCN1 7821AD [0,1,0,1,0,0|0,0,1]=3 328 B6R1.2 S=C1NCCO1 1519AL [0,1,0,1,0,0|1,0,1]=4 329 B6R1.3 BrC#CC1CC1 5100AJ [0,1,0,1,0,0|1,0,1]=4 330 B6R1.3 CCCC1CO1 4468AL [0,1,0,1,0,0|1,0,0]=3 331 B6R1.3 CCNC1CC1 2347AB [0,1,0,1,0,0|1,0,0]=3 332 B6R1.3 CCNC1CC1 3977AJ [0,1,0,1,0,0|1,0,0]=3 333 B6R1.3 CCNC1CC1 4401AJ [0,1,0,1,0,0|1,0,0]=3 334 B6R1.3 COCC1CO1 1812AL [0,1,0,1,0,0|1,0,0]=3 335 B6R1.3 COC[C@@H]1CO1 9238AJ [0,1,0,1,0,0|1,0,0]=3 336 B6R1.3 COC[C@H]1CO1 9221AJ [0,1,0,1,0,0|1,0,0]=3 337 B6R1.3 ICCC1CC1 8514AH [0,1,0,1,0,0|1,0,0]=3 338 B6R1.3 O=C=NC1CC1 X4805 [0,1,0,1,0,0|1,0,1]=4 339 B6R1.3 OCCC1CC1 8510AD [0,1,0,1,0,0|1,0,0]=3 340 B6R1.5 CN1CC(N)C1 6718AC [0,1,0,1,0,0|1,0,0]=3 341 B6R1.5 CN1CC(O)C1 8767AC [0,1,0,1,0,0|2,0,0]=4 342 B6R1.5 NC1CC(O)C1 0869AA [0,1,0,1,0,0|0,0,0]=2 343 B6R1.5 O=C1CC(Br)C1 8034AD [0,1,0,1,0,0|1,0,1]=4 344 B6R1.9 NC1CC1(F)F 8236AC [0,1,0,1,0,0|1,0,0]=3 345 B6R1.10 CC1(C)CCN1 Y7008 [0,1,0,1,0,0|0,0,0]=2 346 B6R1.10 CC1(N)CCC1 X5278 [0,1,0,1,0,0|0,0,0]=2 347 B6R1.10 CC1(N)COC1 6470AA [0,1,0,1,0,0|1,0,0]=3 348 B6R1.10 CC1(N)COC1 W8972 [0,1,0,1,0,0|1,0,0]=3 349 B6R1.10 O=S1(=O)CCC1 V6677 [0,1,0,1,0,0|2,0,0]=4 350 B6R1.11 CC(=O)C1CO1 3696AE [0,1,0,1,0,0|1,0,1]=4 351 B6R1.11 C[C@@H](N)C1CC1 1191AL [0,1,0,1,0,0|0,0,0]=2 352 B6R1.11 O=C(O)C1CN1 7766AB [0,1,0,1,0,0|1,0,1]=4 353 B6R1.1 C1CCNNC1 6958AB [0,1,0,1,0,0|0,0,0]=2 354 B6R1.1 C1CCONC1 1721AE [0,1,0,1,0,0|0,0,0]=2 355 B6R1.1 C1COCCO1 7285AL [0,1,0,1,0,0|1,0,0]=3 356 B6R1.1 C1CSCCN1 8883AB [0,1,0,1,0,0|0,0,0]=2 357 B6R1.6 BrCC1CCO1 6025AC [0,1,0,1,0,0|1,0,0]=3 358 B6R1.6 CNC1CCC1 4414AJ [0,1,0,1,0,0|0,0,0]=2 359 B6R1.6 CNC1CCC1 X2043 [0,1,0,1,0,0|0,0,0]=2 360 B6R1.6 CNC1CNC1 1896AB [0,1,0,1,0,0|1,0,0]=3 361 B6R1.6 COC1CNC1 Y5064 [0,1,0,1,0,0|1,0,0]=3 362 B6R1.6 ICC1CCO1 1038AD [0,1,0,1,0,0|1,0,0]=3 363 B6R1.6 NCC1CCN1 0858AA [0,1,0,1,0,0|0,0,0]=2 364 B6R1.6 NCC1CCN1 6521AH [0,1,0,1,0,0|0,0,0]=2 365 B6R1.6 NCC1CCO1 V8594 [0,1,0,1,0,0|0,0,0]=2 366 B6R1.6 NCC1CNC1 2747AA [0,1,0,1,0,0|0,0,0]=2 367 B6R1.6 NCC1COC1 4443AJ [0,1,0,1,0,0|0,0,0]=2 368 B6R1.6 NCC1COC1 W7450 [0,1,0,1,0,0|0,0,0]=2 369 B6R1.6 NNC1CCC1 3961AJ [0,1,0,1,0,0|0,0,0]=2 370 B6R1.6 O=CC1COC1 5573AA [0,1,0,1,0,0|1,0,1]=4 371 B6R1.6 OCC1CCN1 Z3841 [0,1,0,1,0,0|0,0,0]=2 372 B6R1.6 ON=C1CCC1 3048AB [0,1,0,1,0,0|0,0,2]=4 373 B6R1.7 C[C@]1(CO)CO1 1288AL [0,1,0,1,0,0|2,0,0]=4 374 B6R1.7 NC1(CO)CC1 V2301 [0,1,0,1,0,0|1,0,0]=3 375 B6R1.7 NCC1(O)CC1 W8222 [0,1,0,1,0,0|0,0,0]=2