0 B4R0.1 BrCC(Br)Br X2956 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 C=C(F)CCl 6785AE [0,0,0,0,0,0|3,0,0]=3 2 B4R0.1 C=C=C(C)C 6086AL [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 CC(=O)NBr 6847AF [0,0,0,0,0,0|3,0,0]=3 4 B4R0.1 CC(=O)NBr 6848AF [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 CC(S)CS 4476AL [0,0,0,0,0,0|2,1,1]=4 6 B4R0.1 CCC(=O)Br C859 [0,0,0,0,0,0|1,0,0]=1 7 B4R0.1 CC[SiH](Cl)Cl 7902AL [0,0,0,0,0,0|2,1,0]=3 8 B4R0.1 COP(Cl)Cl X7327 [0,0,0,0,0,0|4,0,0]=4 9 B4R0.1 CSC(=N)N 4399AD [0,0,0,0,0,0|3,0,0]=3 10 B4R0.1 CSC(C)=O 9061AJ [0,0,0,0,0,0|2,0,0]=2 11 B4R0.1 CSC(C)C 8107AL [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 CS[S+](C)C 7703AL [0,0,0,0,0,0|4,0,0]=4 13 B4R0.1 C\C(N)=N/O 5291AE [0,0,0,0,0,0|4,0,0]=4 14 B4R0.1 C\C=C(/C)Cl 5560AL [0,0,0,0,0,0|2,0,1]=3 15 B4R0.1 C\C=C(\C)Cl 4247AL [0,0,0,0,0,0|2,0,1]=3 16 B4R0.1 FC(Cl)CCl 3256AE [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 N=C(N)CO 6468AB [0,0,0,0,0,0|3,0,0]=3 18 B4R0.1 NCC(=O)O 7986AL [0,0,0,0,0,0|1,0,0]=1 19 B4R0.1 NCC(=O)[O-] P522 [0,0,0,0,0,0|1,0,1]=2 20 B4R0.1 NNC(N)=S I585 [0,0,0,0,0,0|3,1,0]=4 21 B3R0.1 Br\C=C\Br 6810AF [1,0,0,0,0,0|2,0,1]=4 22 B3R0.1 CCCF 3973AE [1,0,0,0,0,0|1,0,1]=3 23 B3R0.1 C\C=C\Br 4765AL [1,0,0,0,0,0|1,0,1]=3 24 B3R0.1 NCCN 6791AA [1,0,0,0,0,0|2,0,1]=4 25 B3R0.1 NCCN 6876AF [1,0,0,0,0,0|2,0,1]=4 26 B3R0.1 NCCN 9393AJ [1,0,0,0,0,0|2,0,1]=4 27 B3R0.1 NCCN E395 [1,0,0,0,0,0|2,0,1]=4 28 B3R0.2 CC(=O)[Cl] O182 [1,0,0,0,0,0|1,0,0]=2 29 B3R0.2 CC(=O)[O-] E849 [1,0,0,0,0,0|0,0,1]=2 30 B3R0.2 CC(=O)[O-] Y2043 [1,0,0,0,0,0|0,0,1]=2 31 B3R0.2 CC(=O)[O-] Y2049 [1,0,0,0,0,0|0,0,1]=2 32 B3R0.2 CN(C)N 3031AH [1,0,0,0,0,0|3,0,0]=4 33 B3R0.2 C[PH](C)=O 3279AL [1,0,0,0,0,0|2,0,0]=3 34 B3R0.2 C[S+](C)C 9165AJ [1,0,0,0,0,0|3,0,0]=4 35 B3R0.2 C[Sn](C)=O 6872AF [1,0,0,0,0,0|2,0,0]=3 36 B3R0.2 O=C([O-])O 6221AA [1,0,0,0,0,0|1,0,0]=2 37 B3R0.2 O=I(=O)[O-] Y1930 [1,0,0,0,0,0|2,0,1]=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=S([O-])[O-] 9209AB [1,0,0,0,0,0|2,0,1]=4 41 B3R0.2 O=[N+]([O-])[O-] 8572AF [1,0,0,0,0,0|2,0,1]=4 42 B3R0.2 O=[N+]([O-])[O-] 8673AF [1,0,0,0,0,0|2,0,1]=4 43 B3R0.2 O=[N+]([O-])[O-] 8722AF [1,0,0,0,0,0|2,0,1]=4 44 B3R0.2 O=[Te]([O-])[O-] 5213AF [1,0,0,0,0,0|2,0,1]=4 45 B3R0.2 O[Au](O)O 7031AH [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 C#CCC(C)O 6664AL [0,1,0,0,0,0|1,0,2]=4 47 B5R0.1 C=C(C)CON 4430AJ [0,1,0,0,0,0|3,0,0]=4 48 B5R0.1 C=CCC(=C)C 5694AL [0,1,0,0,0,0|2,0,1]=4 49 B5R0.1 C=CCC(C)O 7318AF [0,1,0,0,0,0|1,0,2]=4 50 B5R0.1 C=CCC(N)=O Y1568 [0,1,0,0,0,0|1,0,1]=3 51 B5R0.1 CC(C)=CCCl 7671AJ [0,1,0,0,0,0|2,0,1]=4 52 B5R0.1 CC(C)CCCl 7326AF [0,1,0,0,0,0|2,0,1]=4 53 B5R0.1 CC(O)CON 3604AB [0,1,0,0,0,0|2,0,1]=4 54 B5R0.1 CCC=C(C)C 7499AF [0,1,0,0,0,0|2,0,0]=3 55 B5R0.1 CCOC(C)C 7879AL [0,1,0,0,0,0|2,0,1]=4 56 B5R0.1 CCSC(=N)N 2034AH [0,1,0,0,0,0|2,0,0]=3 57 B5R0.1 CCSC(C)C 7880AL [0,1,0,0,0,0|2,0,1]=4 58 B5R0.1 CNCC(C)=O 4565AF [0,1,0,0,0,0|1,0,0]=2 59 B5R0.1 CNCC(C)C 8603AL [0,1,0,0,0,0|2,0,1]=4 60 B5R0.1 COCC(=N)N 1769AJ [0,1,0,0,0,0|2,0,0]=3 61 B5R0.1 COC[C@H](C)O W4988 [0,1,0,0,0,0|1,0,1]=3 62 B5R0.1 CSCC(=N)N 1816AJ [0,1,0,0,0,0|2,0,0]=3 63 B5R0.1 C[C@H](N)CCO 3502AC [0,1,0,0,0,0|2,0,1]=4 64 B5R0.1 C\C(Cl)=C\CN 9653AD [0,1,0,0,0,0|2,0,1]=4 65 B5R0.1 C\C(Cl)=C\CO X6578 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.1 C\C=C\B(O)O X4905 [0,1,0,0,0,0|1,0,2]=4 67 B5R0.1 C\C=C\C(N)=O 7909AD [0,1,0,0,0,0|1,0,1]=3 68 B5R0.1 N#CCC(=O)[O-] 7007AF [0,1,0,0,0,0|0,0,2]=3 69 B5R0.1 NC(=O)CCO 8063AJ [0,1,0,0,0,0|1,0,0]=2 70 B5R0.1 O=C(O)CCF 6350AB [0,1,0,0,0,0|0,0,0]=1 71 B5R0.1 O=C(O)\C=C/Br V3608 [0,1,0,0,0,0|0,0,2]=3 72 B5R0.1 O=C(O)\C=C/I 9333AB [0,1,0,0,0,0|0,0,2]=3 73 B5R0.1 O=C(O)\C=C\I V7047 [0,1,0,0,0,0|0,0,2]=3 74 B5R0.3 C=C(SC)SC 4356AL [0,1,0,0,0,0|2,1,0]=4 75 B5R0.3 C=C[C@H](O)CO 1303AL [0,1,0,0,0,0|2,0,1]=4 76 B5R0.3 CC(CN)CO 0163AC [0,1,0,0,0,0|2,0,1]=4 77 B5R0.3 CCC(=O)CN X8894 [0,1,0,0,0,0|1,0,0]=2 78 B5R0.3 CCC(=O)CO X5132 [0,1,0,0,0,0|0,0,0]=1 79 B5R0.3 CCC(=S)OC R571 [0,1,0,0,0,0|0,1,0]=2 80 B5R0.3 CCC(C)CCl U282 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.3 CCC(C)NN 9798AD [0,1,0,0,0,0|2,0,1]=4 82 B5R0.3 CCC(Cl)CCl 4449AL [0,1,0,0,0,0|2,0,1]=4 83 B5R0.3 CCC(O)C#N 7246AF [0,1,0,0,0,0|1,0,1]=3 84 B5R0.3 CCC(O)CBr 4766AL [0,1,0,0,0,0|1,0,1]=3 85 B5R0.3 CCC(S)CS 4441AL [0,1,0,0,0,0|0,2,1]=4 86 B5R0.3 CC[C@H](C)CCl 4194AL [0,1,0,0,0,0|2,0,1]=4 87 B5R0.3 CNC(=O)CN X2965 [0,1,0,0,0,0|2,0,0]=3 88 B5R0.3 CNC(=O)NN 9285AA [0,1,0,0,0,0|2,0,0]=3 89 B5R0.3 CO[SiH](C)OC I516 [0,1,0,0,0,0|2,1,0]=4 90 B5R0.3 C\C(C=O)=C/N 3293AB [0,1,0,0,0,0|2,0,1]=4 91 B5R0.3 C\C=C(/C)CC 0241AQ [0,1,0,0,0,0|2,0,0]=3 92 B5R0.3 C\C=C(/C)CC 9220AL [0,1,0,0,0,0|2,0,0]=3 93 B5R0.3 C\C=C(\C)CC 7440AL [0,1,0,0,0,0|2,0,0]=3 94 B5R0.3 N\C(CCl)=N/O 0296AE [0,1,0,0,0,0|2,0,0]=3 95 B5R0.3 N\C(CO)=N\O 9010AE [0,1,0,0,0,0|2,0,0]=3 96 B5R0.4 C=CP(=O)(O)O 9407AL [0,1,0,0,0,0|1,0,2]=4 97 B5R0.4 CCC(C)(Cl)Cl 5119AL [0,1,0,0,0,0|2,0,1]=4 98 B5R0.4 CCS(=O)(=O)F 0529AQ [0,1,0,0,0,0|1,0,1]=3 99 B5R0.4 CNS(=O)(=O)O 5637AB [0,1,0,0,0,0|2,0,0]=3 100 B5R0.5 C=C(Br)C(N)=O 0896AC [0,1,0,0,0,0|1,0,2]=4 101 B5R0.5 C=C(C)B(O)O X6995 [0,1,0,0,0,0|1,0,2]=4 102 B5R0.5 C=C(C)C(C)C 5230AL [0,1,0,0,0,0|2,0,0]=3 103 B5R0.5 C=C(F)C(=O)[O-] 0621AP [0,1,0,0,0,0|0,0,3]=4 104 B5R0.5 CC(=O)C(=O)[O-] 7017AF [0,1,0,0,0,0|0,0,2]=3 105 B5R0.5 CC(=O)C(=O)[O-] 7018AF [0,1,0,0,0,0|0,0,2]=3 106 B5R0.5 CC(=O)C(C)F 0085AF [0,1,0,0,0,0|1,0,0]=2 107 B5R0.5 CC(=S)N(C)C 3685AL [0,1,0,0,0,0|2,1,0]=4 108 B5R0.5 CC(Cl)C(Cl)Cl 7030AF [0,1,0,0,0,0|2,0,1]=4 109 B5R0.5 CC(N)C(C)O 7117AF [0,1,0,0,0,0|1,0,1]=3 110 B5R0.5 CC(O)C(=N)N 2094AL [0,1,0,0,0,0|2,0,0]=3 111 B5R0.5 CC(O)C(=O)O Y1768 [0,1,0,0,0,0|0,0,0]=1 112 B5R0.5 CN(C)C(=N)N 3681AL [0,1,0,0,0,0|3,0,0]=4 113 B5R0.5 CN(C)C(N)=S 8335AE [0,1,0,0,0,0|2,1,0]=4 114 B5R0.5 C[C@H](N)C(N)=O 7048AH [0,1,0,0,0,0|1,0,0]=2 115 B5R0.5 NC(=O)C(F)Br 3265AE [0,1,0,0,0,0|2,0,0]=3 116 B5R0.5 NC(=O)C(F)I 3275AE [0,1,0,0,0,0|2,0,0]=3 117 B5R0.5 O=C(O)C(=O)O 7001AF [0,1,0,0,0,0|1,0,1]=3 118 B5R0.5 O=C(O)C(Cl)Br 8168AB [0,1,0,0,0,0|1,0,0]=2 119 B5R0.5 O=C(O)C(F)Br 8446AJ [0,1,0,0,0,0|1,0,0]=2 120 B5R0.5 O=C(O)C(F)Cl 4068AE [0,1,0,0,0,0|1,0,0]=2 121 B5R0.5 O=C([O-])C(=O)[O-] 6503AJ [0,1,0,0,0,0|1,0,2]=4 122 B5R0.5 O=C([O-])C(F)Br 8443AE [0,1,0,0,0,0|1,0,1]=3 123 B5R0.5 O=C([O-])C(F)Cl 8442AE [0,1,0,0,0,0|1,0,1]=3 124 B5R0.5 O=C([O-])C(F)I 0009AD [0,1,0,0,0,0|1,0,1]=3 125 B5R1.2 C=C1CCC1 3599AL [0,0,0,1,0,0|2,0,0]=3 126 B5R1.2 OC1CSC1 Z6583 [0,0,0,1,0,0|2,0,1]=4 127 B5R1.3 FCC1CO1 1377AQ [0,0,0,1,0,0|2,0,1]=4 128 B5R1.3 OCC1CO1 Y6562 [0,0,0,1,0,0|2,0,1]=4 129 B2R0.1 C=NO 8435AF [2,0,0,0,0,0|1,0,1]=4 130 B2R0.1 N=CN 7945AL [2,0,0,0,0,0|2,0,0]=4 131 B2R0.1 O=C[O-] 7946AL [2,0,0,0,0,0|0,0,1]=3 132 B2R0.1 O=C[O-] 8928AL [2,0,0,0,0,0|0,0,1]=3 133 B2R0.1 O=[Ir]=O 8780AF [2,0,0,0,0,0|1,0,1]=4 134 B2R0.1 O[Pt]O 4927AB [2,0,0,0,0,0|1,0,1]=4 135 B4R0.2 C=C=CCO 0432AQ [1,1,0,0,0,0|0,0,2]=4 136 B4R0.2 CCC=NO 0148AQ [1,1,0,0,0,0|0,0,0]=2 137 B4R0.2 CCCCF 8004AD [1,1,0,0,0,0|1,0,1]=4 138 B4R0.2 CCCNN 4415AE [1,1,0,0,0,0|1,0,1]=4 139 B4R0.2 CCCOC 4896AL [1,1,0,0,0,0|0,0,1]=3 140 B4R0.2 CCCON 6597AE [1,1,0,0,0,0|0,0,1]=3 141 B4R0.2 CCCSC U677 [1,1,0,0,0,0|0,1,1]=4 142 B4R0.2 CCSCC E138 [1,1,0,0,0,0|1,0,1]=4 143 B4R0.2 CNCC#N 8258AL [1,1,0,0,0,0|1,0,1]=4 144 B4R0.2 CSCCBr Y1764 [1,1,0,0,0,0|1,0,1]=4 145 B4R0.2 C\C=C/CC 7428AL [1,1,0,0,0,0|1,0,0]=3 146 B4R0.2 Cl\C=C/CCl 7411AL [1,1,0,0,0,0|1,0,1]=4 147 B4R0.2 N#CCCS 0102AP [1,1,0,0,0,0|1,0,1]=4 148 B4R0.2 NCCON 6473AB [1,1,0,0,0,0|1,0,1]=4 149 B4R0.2 NCCON 7871AA [1,1,0,0,0,0|1,0,1]=4 150 B4R0.2 N\C=C/C=O 4699AJ [1,1,0,0,0,0|0,0,2]=4 151 B4R0.3 O=P([O-])(O)O 5366AA [1,1,0,0,0,0|2,0,0]=4 152 B4R0.3 O=S(=O)(O)O 8257AL [1,1,0,0,0,0|2,0,0]=4 153 B4R0.3 O=S(=O)(O)O K629 [1,1,0,0,0,0|2,0,0]=4 154 B4R0.3 O=[Re](=O)(=O)O 8740AF [1,1,0,0,0,0|2,0,0]=4 155 B6R0.1 C#CC(O)CCC X7102 [0,2,0,0,0,0|1,0,1]=4 156 B6R0.1 C#CCC(=O)OC 3698AB [0,2,0,0,0,0|0,0,1]=3 157 B6R0.1 C#CCC(O)CC 6781AL [0,2,0,0,0,0|1,0,1]=4 158 B6R0.1 CC#CC(=O)OC X7106 [0,2,0,0,0,0|0,0,1]=3 159 B6R0.1 CCC(=O)CSC K829 [0,2,0,0,0,0|0,1,0]=3 160 B6R0.1 CCC(O)CNN 2943AE [0,2,0,0,0,0|1,0,1]=4 161 B6R0.1 CCCC(=O)SC 8847AJ [0,2,0,0,0,0|0,1,0]=3 162 B6R0.1 CCCC(C)CO 1207AA [0,2,0,0,0,0|1,0,1]=4 163 B6R0.1 CCCC(O)CC 7557AF [0,2,0,0,0,0|1,0,1]=4 164 B6R0.1 CCC[C@@H](N)CO 2554AC [0,2,0,0,0,0|1,0,1]=4 165 B6R0.1 CCNC(=O)CBr 5060AE [0,2,0,0,0,0|1,0,0]=3 166 B6R0.1 CCNC(=O)CN 8793AD [0,2,0,0,0,0|1,0,0]=3 167 B6R0.1 CCNC(C)CO 8218AD [0,2,0,0,0,0|1,0,1]=4 168 B6R0.1 CCOC(=N)CC 8352AC [0,2,0,0,0,0|1,0,0]=3 169 B6R0.1 CCOC(C)CC 8956AL [0,2,0,0,0,0|1,0,1]=4 170 B6R0.1 CCSC(=O)CC 8960AL [0,2,0,0,0,0|0,1,0]=3 171 B6R0.1 CC[C@H](C)CCO 4202AL [0,2,0,0,0,0|1,0,1]=4 172 B6R0.1 CNC(=O)CCCl 2983AE [0,2,0,0,0,0|1,0,0]=3 173 B6R0.1 CNC(=O)CCO 8079AE [0,2,0,0,0,0|1,0,0]=3 174 B6R0.1 CNCC(=O)NC V5990 [0,2,0,0,0,0|1,0,0]=3 175 B6R0.1 CNCC(C)OC 1691AF [0,2,0,0,0,0|1,0,1]=4 176 B6R0.1 COC(=O)CCN 5700AB [0,2,0,0,0,0|0,0,0]=2 177 B6R0.1 COC(=O)\C=C/Br 6846AE [0,2,0,0,0,0|0,0,2]=4 178 B6R0.1 COC(=O)\C=C/I 6847AE [0,2,0,0,0,0|0,0,2]=4 179 B6R0.1 COC(=O)\C=C\N 1217AQ [0,2,0,0,0,0|0,0,2]=4 180 B6R0.1 CSC\C(N)=N\O 8012AC [0,2,0,0,0,0|1,0,0]=3 181 B6R0.1 NCC(=O)O[Ru]Cl 2335AH [0,2,0,0,0,0|1,0,0]=3 182 B6R0.1 N\C(CCO)=N/O 5078AE [0,2,0,0,0,0|1,0,0]=3 183 B6R0.1 OCC[C@@H](O)CO W7968 [0,2,0,0,0,0|0,0,2]=4 184 B6R0.1 O[C@H](CBr)CCBr 9809AB [0,2,0,0,0,0|1,0,1]=4 185 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [0,2,0,0,0,0|0,0,1]=3 186 B6R0.2 CC(=O)SC(C)=O 7216AF [0,2,0,0,0,0|1,0,1]=4 187 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [0,2,0,0,0,0|1,0,1]=4 188 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,2,0,0,0,0|0,0,1]=3 189 B6R0.2 CN(C)NC(N)=O 4373AL [0,2,0,0,0,0|2,0,0]=4 190 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,2,0,0,0,0|0,0,0]=2 191 B6R0.2 NC(=O)CC(=O)O 1571AB [0,2,0,0,0,0|0,0,1]=3 192 B6R0.3 C=C(CBr)C(=O)O 1795AL [0,2,0,0,0,0|0,0,1]=3 193 B6R0.3 CC(=O)C(N)CO 6844AC [0,2,0,0,0,0|1,0,0]=3 194 B6R0.3 CC(C)C(O)C#N 4772AD [0,2,0,0,0,0|1,0,1]=4 195 B6R0.3 CC(C)[C@H](N)CO 8725AA [0,2,0,0,0,0|1,0,1]=4 196 B6R0.3 CC(CS)C(=O)O Y3236 [0,2,0,0,0,0|0,0,0]=2 197 B6R0.3 CCC(=O)C(C)Br 5539AL [0,2,0,0,0,0|1,0,0]=3 198 B6R0.3 CCC(=O)C(C)S 5675AL [0,2,0,0,0,0|0,1,0]=3 199 B6R0.3 CCC(Br)C(N)=O 5224AE [0,2,0,0,0,0|1,0,0]=3 200 B6R0.3 CCC(C)C(C)=O U423 [0,2,0,0,0,0|1,0,0]=3 201 B6R0.3 CCC(O)C(=O)[O-] 8154AL [0,2,0,0,0,0|0,0,1]=3 202 B6R0.3 CCC(S)C(C)=O 9471AJ [0,2,0,0,0,0|1,0,0]=3 203 B6R0.3 CCN(C)C(=N)N 8784AC [0,2,0,0,0,0|2,0,0]=4 204 B6R0.3 CC[C@@H](C)C(=O)O 1204AL [0,2,0,0,0,0|0,0,0]=2 205 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,2,0,0,0,0|1,0,0]=3 206 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [0,2,0,0,0,0|0,0,0]=2 207 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [0,2,0,0,0,0|0,0,0]=2 208 B6R0.3 CN(C)C(=O)CN W4015 [0,2,0,0,0,0|2,0,0]=4 209 B6R0.3 CNC(=O)C(C)Br 9099AE [0,2,0,0,0,0|1,0,0]=3 210 B6R0.3 CNC(=O)C(C)N V5134 [0,2,0,0,0,0|1,0,0]=3 211 B6R0.3 CNC(=O)C(F)Cl 5097AE [0,2,0,0,0,0|2,0,0]=4 212 B6R0.3 CN[C@H](C)C(=O)O Z5607 [0,2,0,0,0,0|0,0,0]=2 213 B6R0.3 COC(=O)[C@@H](C)Cl X3442 [0,2,0,0,0,0|0,0,0]=2 214 B6R0.3 CSC(C)C(=O)O 6148AE [0,2,0,0,0,0|0,0,0]=2 215 B6R0.3 CSC(C)C(C)=O 6125AL [0,2,0,0,0,0|1,0,0]=3 216 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,2,0,0,0,0|0,0,0]=2 217 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,2,0,0,0,0|1,0,1]=4 218 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [0,2,0,0,0,0|0,0,1]=3 219 B6R0.3 NC(=O)C(Br)CBr 5213AL [0,2,0,0,0,0|1,0,0]=3 220 B6R0.3 NC(=O)C(N)CO 2131AB [0,2,0,0,0,0|1,0,0]=3 221 B6R0.3 NC[C@H](N)C(=O)O 0179AB [0,2,0,0,0,0|0,0,0]=2 222 B6R0.3 N[C@@H](CCl)C(=O)O Z5908 [0,2,0,0,0,0|0,0,0]=2 223 B6R0.3 N[C@@H](CO)C(=O)O Z6084 [0,2,0,0,0,0|0,0,0]=2 224 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [0,2,0,0,0,0|0,0,0]=2 225 B6R0.3 O=C(CBr)C(Br)Br E800 [0,2,0,0,0,0|2,0,0]=4 226 B6R0.3 O=C(O)C(Br)CF 0454AQ [0,2,0,0,0,0|0,0,0]=2 227 B6R0.3 O=C(O)C(Cl)CO 0455AQ [0,2,0,0,0,0|0,0,0]=2 228 B6R0.3 O=C(O)C(O)CCl 2399AL [0,2,0,0,0,0|0,0,0]=2 229 B6R0.3 O=C([O-])C(O)CO 7310AL [0,2,0,0,0,0|0,0,1]=3 230 B6R0.4 C#CCCC(=O)[O-] 4056AH [0,2,0,0,0,0|0,0,1]=3 231 B6R0.4 C#CCNC(C)=O 3665AL [0,2,0,0,0,0|1,0,1]=4 232 B6R0.4 C#CCNC(N)=O W6702 [0,2,0,0,0,0|1,0,1]=4 233 B6R0.4 C=C(C)CCCC 5699AL [0,2,0,0,0,0|2,0,0]=4 234 B6R0.4 C=CCCC(=C)C 5696AL [0,2,0,0,0,0|2,0,0]=4 235 B6R0.4 C=CCOC(N)=O 0515AQ [0,2,0,0,0,0|1,0,1]=4 236 B6R0.4 CC(=O)CCCBr W5938 [0,2,0,0,0,0|1,0,0]=3 237 B6R0.4 CC(=O)NCCCl W8163 [0,2,0,0,0,0|1,0,0]=3 238 B6R0.4 CC(=O)OCCCl 7237AF [0,2,0,0,0,0|1,0,0]=3 239 B6R0.4 CC(=O)SCC#N 6370AE [0,2,0,0,0,0|1,0,1]=4 240 B6R0.4 CC(=O)SCCN 5884AD [0,2,0,0,0,0|1,0,0]=3 241 B6R0.4 CCCC=C(C)C 5704AL [0,2,0,0,0,0|2,0,0]=4 242 B6R0.4 CCCCC(=O)Br 7391AF [0,2,0,0,0,0|1,0,0]=3 243 B6R0.4 CCCCC(C)O 9467AB [0,2,0,0,0,0|1,0,1]=4 244 B6R0.4 CCCO[N+](=O)[O-] X5340 [0,2,0,0,0,0|1,0,1]=4 245 B6R0.4 CC\C=C\C(=O)O 6805AA [0,2,0,0,0,0|0,0,0]=2 246 B6R0.4 CSCCC(=O)Cl 6126AL [0,2,0,0,0,0|1,0,0]=3 247 B6R0.4 FC(F)=CCCBr 4541AD [0,2,0,0,0,0|2,0,0]=4 248 B6R0.4 N#CCNC(N)=O X4454 [0,2,0,0,0,0|1,0,1]=4 249 B6R0.4 O=C(O)C#CCO 1204AC [0,2,0,0,0,0|0,0,1]=3 250 B6R0.5 CC(C)(O)CCCl 0206AB [0,2,0,0,0,0|1,0,1]=4 251 B6R0.5 CCNS(=O)(=O)O 4020AE [0,2,0,0,0,0|1,0,0]=3 252 B6R0.5 CCOS(=O)(=O)[O-] 6863AF [0,2,0,0,0,0|1,0,1]=4 253 B6R0.5 CS(=O)(=O)CCBr 5490AJ [0,2,0,0,0,0|1,0,1]=4 254 B6R0.5 O=P(O)(O)CCBr 7025AC [0,2,0,0,0,0|1,0,0]=3 255 B6R0.5 O=S(=O)(Cl)CCBr 5489AJ [0,2,0,0,0,0|1,0,1]=4 256 B6R0.8 CCC(C)(O)C#N 5636AB [0,2,0,0,0,0|1,0,1]=4 257 B6R0.9 CCC(CN)OC 8133AC [0,2,0,0,0,0|1,0,1]=4 258 B6R0.9 CCC(CN)OC X2088 [0,2,0,0,0,0|1,0,1]=4 259 B6R0.9 CCC(CO)OC 5682AL [0,2,0,0,0,0|0,0,2]=4 260 B6R0.9 CCC(OC)OC 8873AL [0,2,0,0,0,0|0,0,2]=4 261 B6R0.7 CC(=O)C(C)(C)Br Y1567 [0,2,0,0,0,0|1,0,0]=3 262 B6R0.7 CC(=O)C(C)(C)O X0229 [0,2,0,0,0,0|1,0,0]=3 263 B6R0.7 CC(C)(C)S(=O)Cl 0001AE [0,2,0,0,0,0|2,0,0]=4 264 B6R0.7 CC(C)(Cl)C(=O)O 8852AB [0,2,0,0,0,0|0,0,0]=2 265 B6R0.7 CC(C)(N)C(N)=O 5907AD [0,2,0,0,0,0|1,0,0]=3 266 B6R0.7 CC(C)S(=O)(=O)[O-] 7069AF [0,2,0,0,0,0|1,0,1]=4 267 B6R0.7 CC(C)S(C)(=O)=O 8108AL [0,2,0,0,0,0|1,0,1]=4 268 B6R0.7 CC(N)P(=O)(O)O 9663AJ [0,2,0,0,0,0|1,0,0]=3 269 B4R1.1 C1CSC1 7055AF [1,0,0,1,0,0|0,1,1]=4 270 B4R1.2 C[C@H]1CN1 1289AL [1,0,0,1,0,0|1,0,1]=4 271 B6R1.2 CC1=CCCC1 9313AJ [0,1,0,1,0,0|2,0,0]=4 272 B6R1.2 CC1=CCCO1 0728AQ [0,1,0,1,0,0|1,0,0]=3 273 B6R1.2 CC1=NNCC1 6440AD [0,1,0,1,0,0|2,0,0]=4 274 B6R1.2 CC1CCOC1 6124AL [0,1,0,1,0,0|1,0,1]=4 275 B6R1.2 CC1COCO1 6593AL [0,1,0,1,0,0|1,0,1]=4 276 B6R1.2 CC1OCCO1 7260AF [0,1,0,1,0,0|1,0,1]=4 277 B6R1.2 ClC1=CCCC1 9304AJ [0,1,0,1,0,0|2,0,0]=4 278 B6R1.2 NC1=NCCO1 5489AL [0,1,0,1,0,0|1,0,0]=3 279 B6R1.2 NC1CCOC1 W9158 [0,1,0,1,0,0|1,0,1]=4 280 B6R1.2 N[C@H]1CCOC1 W4304 [0,1,0,1,0,0|1,0,1]=4 281 B6R1.2 O=C1C=CCN1 V5771 [0,1,0,1,0,0|1,0,1]=4 282 B6R1.2 O=C1C=CCS1 1311AQ [0,1,0,1,0,0|0,1,1]=4 283 B6R1.2 O[C@H]1CCSC1 Y1948 [0,1,0,1,0,0|0,1,1]=4 284 B6R1.2 S=C1NCCO1 1519AL [0,1,0,1,0,0|0,1,0]=3 285 B6R1.3 CCCC1CO1 4468AL [0,1,0,1,0,0|1,0,1]=4 286 B6R1.3 COC[C@@H]1CO1 9238AJ [0,1,0,1,0,0|1,0,1]=4 287 B6R1.3 COC[C@H]1CO1 9221AJ [0,1,0,1,0,0|1,0,1]=4 288 B6R1.5 CN1CC(O)C1 8767AC [0,1,0,1,0,0|1,0,1]=4 289 B6R1.5 NC1CC(O)C1 3558AA [0,1,0,1,0,0|1,0,1]=4 290 B6R1.5 NC1CC(O)C1 Z3827 [0,1,0,1,0,0|1,0,1]=4 291 B6R1.10 O=S1(=O)CCC1 V6677 [0,1,0,1,0,0|1,0,1]=4 292 B6R1.11 CC(=O)C1CO1 3696AE [0,1,0,1,0,0|1,0,0]=3 293 B6R1.11 O=C(O)C1CN1 7766AB [0,1,0,1,0,0|0,0,0]=2 294 B6R1.6 NCC1CCO1 V8594 [0,1,0,1,0,0|1,0,1]=4