0 B4R0.1 BrCC(Br)Br LL0122 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 C#CC(=C)C LL0127 [0,0,0,0,0,0|1,0,3]=4 2 B4R0.1 C#CC(C)O JZ2135 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C#C[C@H](C)N RT3964 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C(=O)N(C)C YH13617 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.1 C=C(C)C#N RT1064 [0,0,0,0,0,0|1,0,3]=4 6 B4R0.1 C=C(C)C=O RT1202 [0,0,0,0,0,0|0,0,2]=2 7 B4R0.1 C=C(C)CC LQ1059 [0,0,0,0,0,0|1,0,3]=4 8 B4R0.1 C=C(C)OC HL1466 [0,0,0,0,0,0|2,0,2]=4 9 B4R0.1 C=C(C)[Mg]Br JZ3721 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.1 C=C=C(C)C LQ1135 [0,0,0,0,0,0|1,0,2]=3 11 B4R0.1 C=CC(=O)O LL0145 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 C=CC(=O)O LQ4543 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 C=CC(C)Cl LQ1061 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.1 C=C[N+](=O)[O-] XJ2515 [0,0,0,0,0,0|4,0,0]=4 15 B4R0.1 CC(=O)CBr LQ1137 [0,0,0,0,0,0|2,0,2]=4 16 B4R0.1 CC(=O)CN LX3064 [0,0,0,0,0,0|2,0,2]=4 17 B4R0.1 CC(=O)NBr XJ0071 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 CC(=O)NN LQ1629 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 CC(Br)CBr LL0123 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.1 CC(Br)CCl XJ2375 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.1 CC(C)CI HL1913 [0,0,0,0,0,0|1,0,1]=2 22 B4R0.1 CC(C)CS HL1915 [0,0,0,0,0,0|0,1,1]=2 23 B4R0.1 CC(C)NN LQ3967 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 CC(C)NO LT5054 [0,0,0,0,0,0|1,0,1]=2 25 B4R0.1 CC(N)C#N LT6014 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.1 CC(N)CN YH43801 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.1 CC(N)CO JZ1400 [0,0,0,0,0,0|1,0,2]=3 28 B4R0.1 CC(O)CF YH01374 [0,0,0,0,0,0|2,0,1]=3 29 B4R0.1 CCC(C)I LT2185 [0,0,0,0,0,0|2,0,1]=3 30 B4R0.1 CC[C@@H](C)N JZ3698 [0,0,0,0,0,0|2,0,1]=3 31 B4R0.1 CN(C)N=O RT4837 [0,0,0,0,0,0|2,0,0]=2 32 B4R0.1 COC(C)=N YH35544 [0,0,0,0,0,0|3,0,1]=4 33 B4R0.1 COC(C)C RT17590 [0,0,0,0,0,0|2,0,0]=2 34 B4R0.1 COC(Cl)Cl XJ2773 [0,0,0,0,0,0|4,0,0]=4 35 B4R0.1 CSC(C)C LT4098 [0,0,0,0,0,0|2,0,0]=2 36 B4R0.1 CS[S+](C)C HL3015 [0,0,0,0,0,0|3,0,0]=3 37 B4R0.1 C[C@@H](N)CN YH65431 [0,0,0,0,0,0|2,0,1]=3 38 B4R0.1 C[C@@H](O)CN LT7643 [0,0,0,0,0,0|2,0,1]=3 39 B4R0.1 C[C@H](Cl)CO JZ5320 [0,0,0,0,0,0|1,0,2]=3 40 B4R0.1 C[C@H](Cl)CO XJ5311 [0,0,0,0,0,0|1,0,2]=3 41 B4R0.1 C[C@H](N)CO HL2372 [0,0,0,0,0,0|1,0,2]=3 42 B4R0.1 C[C@H](N)CO LT7580 [0,0,0,0,0,0|1,0,2]=3 43 B4R0.1 C[C@H](O)CCl JZ5302 [0,0,0,0,0,0|2,0,1]=3 44 B4R0.1 C\C=C(\C)Br JZ3724 [0,0,0,0,0,0|2,0,1]=3 45 B4R0.1 ClCC(Cl)Cl LL0136 [0,0,0,0,0,0|3,0,1]=4 46 B4R0.1 N#CC(Br)Br XJ2403 [0,0,0,0,0,0|3,0,1]=4 47 B4R0.1 N#CC(Cl)Cl XJ2376 [0,0,0,0,0,0|3,0,1]=4 48 B4R0.1 N#CC(I)I RT0733 [0,0,0,0,0,0|3,0,1]=4 49 B4R0.1 O=CC(=O)O LL0641 [0,0,0,0,0,0|2,0,1]=3 50 B4R0.1 O=CC(=O)O LQ1072 [0,0,0,0,0,0|2,0,1]=3 51 B4R0.1 O=CC(Cl)Br RT17654 [0,0,0,0,0,0|2,0,0]=2 52 B4R0.1 O=CC(Cl)Cl RT1083 [0,0,0,0,0,0|2,0,0]=2 53 B4R0.1 [13CH2]=[13CH][13C](N)=O RT0492 [0,0,0,0,0,0|3,0,1]=4 54 B4R0.1 [2H]OC(C)=O XJ1316 [0,0,0,0,0,0|3,0,1]=4 55 B4R0.1 [C@@H](C)(O)CO LQ2624 [0,0,0,0,0,0|1,0,2]=3 56 B3R0.1 C#CC=O YH10644 [1,0,0,0,0,0|0,0,2]=3 57 B3R0.1 C#CCCl XJ1172 [1,0,0,0,0,0|2,0,1]=4 58 B3R0.1 C#CCN RT16379 [1,0,0,0,0,0|2,0,1]=4 59 B3R0.1 C#CCN XJ2196 [1,0,0,0,0,0|2,0,1]=4 60 B3R0.1 C=C=CC HL0077 [1,0,0,0,0,0|1,0,2]=4 61 B3R0.1 C=CC=C HL1335 [1,0,0,0,0,0|1,0,2]=4 62 B3R0.1 C=CC=C XJ3466 [1,0,0,0,0,0|1,0,2]=4 63 B3R0.1 C=CC=O RT0993 [1,0,0,0,0,0|0,0,2]=3 64 B3R0.1 C=CCBr RT17399 [1,0,0,0,0,0|2,0,0]=3 65 B3R0.1 C=CCC HL1334 [1,0,0,0,0,0|1,0,0]=2 66 B3R0.1 C=CCI LQ1006 [1,0,0,0,0,0|2,0,0]=3 67 B3R0.1 C=CCN XJ6235 [1,0,0,0,0,0|2,0,0]=3 68 B3R0.1 C=CCO LT3384 [1,0,0,0,0,0|2,0,0]=3 69 B3R0.1 C=CCS LT3385 [1,0,0,0,0,0|2,0,0]=3 70 B3R0.1 C=C[Mg]Cl JZ2315 [1,0,0,0,0,0|3,0,0]=4 71 B3R0.1 CCC=S LT2311 [1,0,0,0,0,0|0,1,0]=2 72 B3R0.1 CCCCl XJ0925 [1,0,0,0,0,0|1,0,1]=3 73 B3R0.1 CCON LT7287 [1,0,0,0,0,0|2,0,0]=3 74 B3R0.1 CCSC XJ1178 [1,0,0,0,0,0|2,0,0]=3 75 B3R0.1 CN=C=O XJ1176 [1,0,0,0,0,0|1,0,1]=3 76 B3R0.1 CNOC LT1363 [1,0,0,0,0,0|3,0,0]=4 77 B3R0.1 COCCl RT17912 [1,0,0,0,0,0|2,0,1]=4 78 B3R0.1 CSC#N LQ1008 [1,0,0,0,0,0|2,0,1]=4 79 B3R0.1 CSCCl LQ2158 [1,0,0,0,0,0|2,0,1]=4 80 B3R0.1 C\C=N\O LT3638 [1,0,0,0,0,0|1,0,2]=4 81 B3R0.1 ClCCCl XJ5613 [1,0,0,0,0,0|2,0,1]=4 82 B3R0.1 Cl\C=C\Cl LQ0647 [1,0,0,0,0,0|2,0,1]=4 83 B3R0.1 FCCBr XJ1331 [1,0,0,0,0,0|2,0,1]=4 84 B3R0.1 N#CCI XJ1173 [1,0,0,0,0,0|2,0,1]=4 85 B3R0.1 N#CCN JZ2807 [1,0,0,0,0,0|2,0,1]=4 86 B3R0.1 N#CCN YH65552 [1,0,0,0,0,0|2,0,1]=4 87 B3R0.1 NCCCl XJ1403 [1,0,0,0,0,0|2,0,1]=4 88 B3R0.1 NCCN JZ1006 [1,0,0,0,0,0|2,0,1]=4 89 B3R0.1 NCCN JZ4960 [1,0,0,0,0,0|2,0,1]=4 90 B3R0.1 NCCN LT5412 [1,0,0,0,0,0|2,0,1]=4 91 B3R0.1 NCCN LT7506 [1,0,0,0,0,0|2,0,1]=4 92 B3R0.1 NCCN XJ4257 [1,0,0,0,0,0|2,0,1]=4 93 B3R0.1 NCCO XJ0576 [1,0,0,0,0,0|1,0,2]=4 94 B3R0.1 NCCS LL0054 [1,0,0,0,0,0|1,1,1]=4 95 B3R0.1 NCCS LQ0646 [1,0,0,0,0,0|1,1,1]=4 96 B3R0.1 NNC=O XJ1177 [1,0,0,0,0,0|2,0,0]=3 97 B3R0.1 OCCBr XJ0924 [1,0,0,0,0,0|1,0,2]=4 98 B3R0.1 OCCO LT7654 [1,0,0,0,0,0|1,0,2]=4 99 B3R0.1 [2H]OCC RT1050 [1,0,0,0,0,0|2,0,0]=3 100 B3R0.1 [Li]CCC LQ1980 [1,0,0,0,0,0|1,0,1]=3 101 B3R0.1 [O-]CC[O-] RT16375 [1,0,0,0,0,0|1,0,2]=4 102 B3R0.2 BrC(Br)I RT13513 [1,0,0,0,0,0|3,0,0]=4 103 B3R0.2 C(F)(Br)Br HL2045 [1,0,0,0,0,0|3,0,0]=4 104 B3R0.2 C=C(C)C HL1444 [1,0,0,0,0,0|0,0,1]=2 105 B3R0.2 C=C(C)Cl LQ1041 [1,0,0,0,0,0|1,0,1]=3 106 B3R0.2 C=C(Cl)Cl LQ0092 [1,0,0,0,0,0|2,0,1]=4 107 B3R0.2 C=C(F)F LQ4457 [1,0,0,0,0,0|2,0,1]=4 108 B3R0.2 C=[N+](C)C LQ4806 [1,0,0,0,0,0|1,0,0]=2 109 B3R0.2 CB(C)Br LQ2820 [1,0,0,0,0,0|2,0,0]=3 110 B3R0.2 CC(=N)N RT17426 [1,0,0,0,0,0|2,0,1]=4 111 B3R0.2 CC(=O)F LQ1042 [1,0,0,0,0,0|1,0,1]=3 112 B3R0.2 CC(=O)O JZ3704 [1,0,0,0,0,0|1,0,1]=3 113 B3R0.2 CC(=O)O XJ0034 [1,0,0,0,0,0|1,0,1]=3 114 B3R0.2 CC(=O)[O-] HL0535 [1,0,0,0,0,0|1,0,1]=3 115 B3R0.2 CC(=O)[O-] HL1089 [1,0,0,0,0,0|1,0,1]=3 116 B3R0.2 CC(=O)[O-] HL1536 [1,0,0,0,0,0|1,0,1]=3 117 B3R0.2 CC(=O)[O-] HL1556 [1,0,0,0,0,0|1,0,1]=3 118 B3R0.2 CC(=O)[O-] HL1980 [1,0,0,0,0,0|1,0,1]=3 119 B3R0.2 CC(=O)[O-] JZ2733 [1,0,0,0,0,0|1,0,1]=3 120 B3R0.2 CC(=O)[O-] JZ3035 [1,0,0,0,0,0|1,0,1]=3 121 B3R0.2 CC(=O)[O-] JZ4063 [1,0,0,0,0,0|1,0,1]=3 122 B3R0.2 CC(=O)[O-] JZ4064 [1,0,0,0,0,0|1,0,1]=3 123 B3R0.2 CC(=O)[O-] JZ5083 [1,0,0,0,0,0|1,0,1]=3 124 B3R0.2 CC(=O)[O-] JZ5622 [1,0,0,0,0,0|1,0,1]=3 125 B3R0.2 CC(=O)[O-] LL2757 [1,0,0,0,0,0|1,0,1]=3 126 B3R0.2 CC(=O)[O-] LQ1063 [1,0,0,0,0,0|1,0,1]=3 127 B3R0.2 CC(=O)[O-] LQ1064 [1,0,0,0,0,0|1,0,1]=3 128 B3R0.2 CC(=O)[O-] LQ1143 [1,0,0,0,0,0|1,0,1]=3 129 B3R0.2 CC(=O)[O-] LQ1294 [1,0,0,0,0,0|1,0,1]=3 130 B3R0.2 CC(=O)[O-] LQ1601 [1,0,0,0,0,0|1,0,1]=3 131 B3R0.2 CC(=O)[O-] LQ2985 [1,0,0,0,0,0|1,0,1]=3 132 B3R0.2 CC(=O)[O-] LQ3945 [1,0,0,0,0,0|1,0,1]=3 133 B3R0.2 CC(=O)[O-] LQ4020 [1,0,0,0,0,0|1,0,1]=3 134 B3R0.2 CC(=O)[O-] LQ5168 [1,0,0,0,0,0|1,0,1]=3 135 B3R0.2 CC(=O)[O-] LT7507 [1,0,0,0,0,0|1,0,1]=3 136 B3R0.2 CC(=O)[O-] LT7843 [1,0,0,0,0,0|1,0,1]=3 137 B3R0.2 CC(=O)[O-] XJ0536 [1,0,0,0,0,0|1,0,1]=3 138 B3R0.2 CC(=O)[O-] XJ0713 [1,0,0,0,0,0|1,0,1]=3 139 B3R0.2 CC(=O)[O-] XJ0970 [1,0,0,0,0,0|1,0,1]=3 140 B3R0.2 CC(=O)[O-] XJ2980 [1,0,0,0,0,0|1,0,1]=3 141 B3R0.2 CC(=O)[O-] YH65813 [1,0,0,0,0,0|1,0,1]=3 142 B3R0.2 CC(C)I LQ0090 [1,0,0,0,0,0|1,0,0]=2 143 B3R0.2 CC(C)S LQ0091 [1,0,0,0,0,0|0,1,0]=2 144 B3R0.2 CC(C)[O-] JZ4937 [1,0,0,0,0,0|0,0,1]=2 145 B3R0.2 CC(C)[O-] JZ5329 [1,0,0,0,0,0|0,0,1]=2 146 B3R0.2 CC(C)[O-] JZ5330 [1,0,0,0,0,0|0,0,1]=2 147 B3R0.2 CC(C)[O-] JZ5591 [1,0,0,0,0,0|0,0,1]=2 148 B3R0.2 CC(C)[O-] LL1978 [1,0,0,0,0,0|0,0,1]=2 149 B3R0.2 CC(C)[O-] LQ3154 [1,0,0,0,0,0|0,0,1]=2 150 B3R0.2 CC(C)[O-] LQ3155 [1,0,0,0,0,0|0,0,1]=2 151 B3R0.2 CC(C)[O-] LQ3188 [1,0,0,0,0,0|0,0,1]=2 152 B3R0.2 CC(C)[O-] LQ4092 [1,0,0,0,0,0|0,0,1]=2 153 B3R0.2 CC(C)[O-] XJ2702 [1,0,0,0,0,0|0,0,1]=2 154 B3R0.2 CC(C)[O-] XJ6011 [1,0,0,0,0,0|0,0,1]=2 155 B3R0.2 CC(Cl)Br LQ1089 [1,0,0,0,0,0|2,0,0]=3 156 B3R0.2 CC(Cl)Cl HL0746 [1,0,0,0,0,0|2,0,0]=3 157 B3R0.2 CC(Cl)Cl RT17620 [1,0,0,0,0,0|2,0,0]=3 158 B3R0.2 CC(F)F LQ0094 [1,0,0,0,0,0|2,0,0]=3 159 B3R0.2 CN(C)C JZ2219 [1,0,0,0,0,0|1,0,1]=3 160 B3R0.2 CP(C)C LL1775 [1,0,0,0,0,0|1,0,1]=3 161 B3R0.2 CS(C)=O XJ0069 [1,0,0,0,0,0|1,0,0]=2 162 B3R0.2 C[As](C)I RT5919 [1,0,0,0,0,0|2,0,0]=3 163 B3R0.2 C[As](I)I RT16135 [1,0,0,0,0,0|3,0,0]=4 164 B3R0.2 C[S+](C)C HL2475 [1,0,0,0,0,0|1,0,1]=3 165 B3R0.2 C[S+](C)C JZ1912 [1,0,0,0,0,0|1,0,1]=3 166 B3R0.2 C[SiH](C)C XJ1513 [1,0,0,0,0,0|0,1,1]=3 167 B3R0.2 C[Sn](C)=O HL2174 [1,0,0,0,0,0|1,0,0]=2 168 B3R0.2 ClC(Br)Br RT17718 [1,0,0,0,0,0|3,0,0]=4 169 B3R0.2 ClC(Br)I RT13512 [1,0,0,0,0,0|3,0,0]=4 170 B3R0.2 ClC(Cl)Br RT17719 [1,0,0,0,0,0|3,0,0]=4 171 B3R0.2 ClC(Cl)Cl XJ0068 [1,0,0,0,0,0|3,0,0]=4 172 B3R0.2 ClC(Cl)I RT13514 [1,0,0,0,0,0|3,0,0]=4 173 B3R0.2 ClC(I)I RT13516 [1,0,0,0,0,0|3,0,0]=4 174 B3R0.2 IC(I)I RT1156 [1,0,0,0,0,0|3,0,0]=4 175 B3R0.2 N[13C](=O)N RT0355 [1,0,0,0,0,0|2,0,1]=4 176 B3R0.2 O=C([O-])[O-] JZ2955 [1,0,0,0,0,0|2,0,1]=4 177 B3R0.2 O=C([O-])[O-] JZ4994 [1,0,0,0,0,0|2,0,1]=4 178 B3R0.2 O=C([O-])[O-] LL1580 [1,0,0,0,0,0|2,0,1]=4 179 B3R0.2 O=C([O-])[O-] LQ1146 [1,0,0,0,0,0|2,0,1]=4 180 B3R0.2 O=C([O-])[O-] LQ2984 [1,0,0,0,0,0|2,0,1]=4 181 B3R0.2 O=C([O-])[O-] LQ4935 [1,0,0,0,0,0|2,0,1]=4 182 B3R0.2 O=C([O-])[O-] LQ4937 [1,0,0,0,0,0|2,0,1]=4 183 B3R0.2 O=C([O-])[O-] XJ3004 [1,0,0,0,0,0|2,0,1]=4 184 B3R0.2 O=C([O-])[O-] XJ3140 [1,0,0,0,0,0|2,0,1]=4 185 B3R0.2 O=C([O-])[O-] XJ3897 [1,0,0,0,0,0|2,0,1]=4 186 B3R0.2 O=C([O-])[O-] XJ4823 [1,0,0,0,0,0|2,0,1]=4 187 B3R0.2 O=C([O-])[O-] XJ5330 [1,0,0,0,0,0|2,0,1]=4 188 B3R0.2 O=C([O-])[O-] XJ5339 [1,0,0,0,0,0|2,0,1]=4 189 B3R0.2 O=C([O-])[O-] XJ6154 [1,0,0,0,0,0|2,0,1]=4 190 B3R0.2 O=C([O-])[O-] YH06400 [1,0,0,0,0,0|2,0,1]=4 191 B3R0.2 O=P(=O)[O-] YH14063 [1,0,0,0,0,0|3,0,0]=4 192 B3R0.2 O=[N+]([O-])[O-] RT17385 [1,0,0,0,0,0|3,0,0]=4 193 B3R0.2 O=[N+]([O-])[O-] YH20922 [1,0,0,0,0,0|3,0,0]=4 194 B3R0.2 O=[N+]([O-])[O-] YH32596 [1,0,0,0,0,0|3,0,0]=4 195 B3R0.2 O=[N+]([O-])[O-] YH42140 [1,0,0,0,0,0|3,0,0]=4 196 B3R0.2 O=[Te]([O-])[O-] RT18552 [1,0,0,0,0,0|3,0,0]=4 197 B3R0.2 O=[Zr](Cl)Cl YH18071 [1,0,0,0,0,0|3,0,0]=4 198 B3R0.2 [13CH3][13C](N)=O RT4752 [1,0,0,0,0,0|1,0,1]=3 199 B5R0.1 C#CCC(C)O LQ2032 [0,1,0,0,0,0|2,0,1]=4 200 B5R0.1 C#CCN(C)C LQ3198 [0,1,0,0,0,0|2,0,1]=4 201 B5R0.1 C=CCC(C)C LQ1324 [0,1,0,0,0,0|1,0,0]=2 202 B5R0.1 C=CCC(C)O XJ1184 [0,1,0,0,0,0|2,0,0]=3 203 B5R0.1 C=CCN(C)C JZ1867 [0,1,0,0,0,0|2,0,0]=3 204 B5R0.1 C=COC(C)=O LQ0375 [0,1,0,0,0,0|2,0,1]=4 205 B5R0.1 C=COC(C)=O LQ4456 [0,1,0,0,0,0|2,0,1]=4 206 B5R0.1 C=COC(C)=O XJ3468 [0,1,0,0,0,0|2,0,1]=4 207 B5R0.1 CC#C[C@H](C)O HL4870 [0,1,0,0,0,0|2,0,1]=4 208 B5R0.1 CC(=O)CC=O XJ1186 [0,1,0,0,0,0|1,0,1]=3 209 B5R0.1 CC(=O)\C=N\O LT6064 [0,1,0,0,0,0|1,0,2]=4 210 B5R0.1 CC(Br)CCBr HL1367 [0,1,0,0,0,0|2,0,1]=4 211 B5R0.1 CC(C)=CCBr YH91045 [0,1,0,0,0,0|1,0,1]=3 212 B5R0.1 CC(C)=CCN YH33589 [0,1,0,0,0,0|1,0,1]=3 213 B5R0.1 CC(C)=CCO LT3091 [0,1,0,0,0,0|0,0,2]=3 214 B5R0.1 CC(C)CC#N XJ1183 [0,1,0,0,0,0|1,0,1]=3 215 B5R0.1 CC(C)CCCl HL1371 [0,1,0,0,0,0|1,0,1]=3 216 B5R0.1 CC(C)CCI XJ0935 [0,1,0,0,0,0|1,0,1]=3 217 B5R0.1 CC(C)N=C=O LT4097 [0,1,0,0,0,0|0,0,1]=2 218 B5R0.1 CC(C)OC=O XJ1196 [0,1,0,0,0,0|0,0,0]=1 219 B5R0.1 CC(O)CC=O HL1375 [0,1,0,0,0,0|1,0,0]=2 220 B5R0.1 CCCC(C)C HL1370 [0,1,0,0,0,0|1,0,1]=3 221 B5R0.1 CCCC(C)C HL4500 [0,1,0,0,0,0|1,0,1]=3 222 B5R0.1 CCC[C@H](C)O LQ4668 [0,1,0,0,0,0|2,0,1]=4 223 B5R0.1 CN(C)CCCl HL2802 [0,1,0,0,0,0|2,0,1]=4 224 B5R0.1 CN(C)CCN HL1382 [0,1,0,0,0,0|2,0,1]=4 225 B5R0.1 CN(C)CCO HL1383 [0,1,0,0,0,0|1,0,2]=4 226 B5R0.1 CN(C)CCS LT4952 [0,1,0,0,0,0|1,1,1]=4 227 B5R0.1 COCC(C)N XJ5266 [0,1,0,0,0,0|1,0,2]=4 228 B5R0.1 COC[C@H](C)N XJ6713 [0,1,0,0,0,0|1,0,2]=4 229 B5R0.1 C[AlH3](C)C[Ti]Cl LL1155 [0,1,0,0,0,0|2,0,1]=4 230 B5R0.1 C[C@@H](N)CC#N YH66415 [0,1,0,0,0,0|2,0,1]=4 231 B5R0.1 C[C@@H](N)CCO RT0497 [0,1,0,0,0,0|1,0,2]=4 232 B5R0.1 C[C@@H](O)CCO SY0267 [0,1,0,0,0,0|1,0,2]=4 233 B5R0.1 C[C@H](N)CC#N YH66374 [0,1,0,0,0,0|2,0,1]=4 234 B5R0.1 C\C(Cl)=C\CCl LQ1508 [0,1,0,0,0,0|2,0,1]=4 235 B5R0.1 C\C(Cl)=C\CO RT17544 [0,1,0,0,0,0|1,0,2]=4 236 B5R0.1 C\C(I)=C/CO RT17534 [0,1,0,0,0,0|1,0,2]=4 237 B5R0.1 C\C(N)=C\C#N XJ1575 [0,1,0,0,0,0|2,0,1]=4 238 B5R0.1 NC(=O)NC=O JZ4445 [0,1,0,0,0,0|2,0,1]=4 239 B5R0.3 BrCC(Br)CBr LL0220 [0,1,0,0,0,0|2,0,1]=4 240 B5R0.3 C#CC(O)CC HL2704 [0,1,0,0,0,0|2,0,1]=4 241 B5R0.3 C=CC(=O)OC SY0292 [0,1,0,0,0,0|2,0,1]=4 242 B5R0.3 C=CC(C)CC XJ1323 [0,1,0,0,0,0|1,0,0]=2 243 B5R0.3 C=CC(O)C=C HL0553 [0,1,0,0,0,0|2,0,1]=4 244 B5R0.3 C=CC(O)CO RT18762 [0,1,0,0,0,0|2,0,0]=3 245 B5R0.3 C=C[C@@H](N)CO YH53874 [0,1,0,0,0,0|2,0,0]=3 246 B5R0.3 C=C[C@H](N)CO LX2169 [0,1,0,0,0,0|2,0,0]=3 247 B5R0.3 CC(CO)CO JZ1881 [0,1,0,0,0,0|0,0,2]=3 248 B5R0.3 CCC(Br)CC XJ1961 [0,1,0,0,0,0|2,0,1]=4 249 B5R0.3 CCC(C)C=O LL0224 [0,1,0,0,0,0|0,0,0]=1 250 B5R0.3 CCC(C)CBr LQ2987 [0,1,0,0,0,0|1,0,1]=3 251 B5R0.3 CCC(C)CBr LQ3410 [0,1,0,0,0,0|1,0,1]=3 252 B5R0.3 CCC(C)CC LL0223 [0,1,0,0,0,0|1,0,1]=3 253 B5R0.3 CCC(C)CCl LQ1182 [0,1,0,0,0,0|1,0,1]=3 254 B5R0.3 CCC(C)CO LL0587 [0,1,0,0,0,0|0,0,2]=3 255 B5R0.3 CCC(C)NC LQ3344 [0,1,0,0,0,0|1,0,1]=3 256 B5R0.3 CCC(Cl)CCl LQ1184 [0,1,0,0,0,0|2,0,1]=4 257 B5R0.3 CCC(N)CC LQ1186 [0,1,0,0,0,0|2,0,1]=4 258 B5R0.3 CCC(N)CO LL0227 [0,1,0,0,0,0|1,0,2]=4 259 B5R0.3 CCC(S)CS XJ4247 [0,1,0,0,0,0|1,1,1]=4 260 B5R0.3 CCN(C)CC LQ1190 [0,1,0,0,0,0|2,0,1]=4 261 B5R0.3 CCN(C)N=O RT17894 [0,1,0,0,0,0|2,0,0]=3 262 B5R0.3 CC[C@@H](C)CO LQ1183 [0,1,0,0,0,0|0,0,2]=3 263 B5R0.3 CC[C@@H](O)CO LQ5013 [0,1,0,0,0,0|1,0,2]=4 264 B5R0.3 CC[C@H](C)CBr LL0949 [0,1,0,0,0,0|1,0,1]=3 265 B5R0.3 CC[C@H](O)CO HL4502 [0,1,0,0,0,0|1,0,2]=4 266 B5R0.3 CC\C(C)=N\O LL0233 [0,1,0,0,0,0|1,0,2]=4 267 B5R0.3 COC(=O)C=O LQ1491 [0,1,0,0,0,0|1,0,1]=3 268 B5R0.3 CS\C(C)=N/O RT1099 [0,1,0,0,0,0|1,0,2]=4 269 B5R0.3 C\C(=C/Br)CBr RT0636 [0,1,0,0,0,0|1,0,1]=3 270 B5R0.3 C\C(=C/Br)CO RT0550 [0,1,0,0,0,0|1,0,1]=3 271 B5R0.3 C\C=C(/C)C=O XJ0816 [0,1,0,0,0,0|0,0,1]=2 272 B5R0.3 Cl\C=C(/Cl)CCl LL0226 [0,1,0,0,0,0|2,0,1]=4 273 B5R0.3 N#CC(Br)CBr HL2792 [0,1,0,0,0,0|2,0,1]=4 274 B5R0.3 NC(CO)CO LL1303 [0,1,0,0,0,0|1,0,2]=4 275 B5R0.3 NCC(O)CN LQ1188 [0,1,0,0,0,0|2,0,1]=4 276 B5R0.3 NCC(O)CO JZ0486 [0,1,0,0,0,0|1,0,2]=4 277 B5R0.3 NC[C@H](O)CO YH09994 [0,1,0,0,0,0|1,0,2]=4 278 B5R0.3 NC[C@H](O)CO YH45696 [0,1,0,0,0,0|1,0,2]=4 279 B5R0.3 O=CC(Br)CBr LT1309 [0,1,0,0,0,0|1,0,0]=2 280 B5R0.3 O=CC(O)C=O RT17553 [0,1,0,0,0,0|1,0,1]=3 281 B5R0.3 O=C[C@H](O)CO LT7747 [0,1,0,0,0,0|1,0,0]=2 282 B5R0.3 OC(CBr)CBr LL0228 [0,1,0,0,0,0|2,0,1]=4 283 B5R0.3 OC(CCl)CCl LL0229 [0,1,0,0,0,0|2,0,1]=4 284 B5R0.3 OCC(Br)CBr LL0222 [0,1,0,0,0,0|1,0,2]=4 285 B5R0.3 OCC(Br)CO RT0384 [0,1,0,0,0,0|1,0,2]=4 286 B5R0.3 OCC(Cl)CCl LQ1185 [0,1,0,0,0,0|1,0,2]=4 287 B5R0.3 OCC(Cl)CO RT1084 [0,1,0,0,0,0|1,0,2]=4 288 B5R0.3 OCC(O)CBr RT0218 [0,1,0,0,0,0|1,0,2]=4 289 B5R0.3 OCC(O)CCl LL0230 [0,1,0,0,0,0|1,0,2]=4 290 B5R0.3 OCC(O)CI RT1254 [0,1,0,0,0,0|1,0,2]=4 291 B5R0.3 OCC(O)CO LT6375 [0,1,0,0,0,0|1,0,2]=4 292 B5R0.3 OCC(O)CO RT14397 [0,1,0,0,0,0|1,0,2]=4 293 B5R0.3 OCC(O)CO XJ4849 [0,1,0,0,0,0|1,0,2]=4 294 B5R0.3 OCC(O)CS LL0232 [0,1,0,0,0,0|1,0,2]=4 295 B5R0.3 OC[C@H](O)CBr YH33404 [0,1,0,0,0,0|1,0,2]=4 296 B5R0.3 OC[C@H](O)CCl LT5275 [0,1,0,0,0,0|1,0,2]=4 297 B5R0.3 O[13CH2][13CH](O)[13CH2]O RT1008 [0,1,0,0,0,0|1,0,2]=4 298 B5R0.4 C#CC(C)(C)Br XJ3073 [0,1,0,0,0,0|1,0,1]=3 299 B5R0.4 C#CC(C)(C)C YH95703 [0,1,0,0,0,0|1,0,1]=3 300 B5R0.4 C#CC(C)(C)N XJ2319 [0,1,0,0,0,0|1,0,1]=3 301 B5R0.4 C#CC(C)(C)O HL1447 [0,1,0,0,0,0|1,0,1]=3 302 B5R0.4 C#C[Si](C)(C)C LQ1610 [0,1,0,0,0,0|1,1,1]=4 303 B5R0.4 C=CC(C)(C)O HL1446 [0,1,0,0,0,0|1,0,0]=2 304 B5R0.4 CC(C)(Br)CCl HL2125 [0,1,0,0,0,0|1,0,1]=3 305 B5R0.4 CC(C)(C)C=O RT1153 [0,1,0,0,0,0|0,0,0]=1 306 B5R0.4 CC(C)(C)CBr LQ1283 [0,1,0,0,0,0|1,0,1]=3 307 B5R0.4 CC(C)(C)CCl XJ1305 [0,1,0,0,0,0|1,0,1]=3 308 B5R0.4 CC(C)(C)CO LQ0123 [0,1,0,0,0,0|0,0,2]=3 309 B5R0.4 CC(C)(C)OCl RT17559 [0,1,0,0,0,0|2,0,0]=3 310 B5R0.4 CC(C)(F)CBr YH65172 [0,1,0,0,0,0|1,0,1]=3 311 B5R0.4 CC(C)(F)CO RT0499 [0,1,0,0,0,0|0,0,2]=3 312 B5R0.4 CC(C)(N)CO LT0229 [0,1,0,0,0,0|0,0,2]=3 313 B5R0.4 CC(C)(O)CBr RT16393 [0,1,0,0,0,0|1,0,1]=3 314 B5R0.4 CC(C)(O)CCl LQ1048 [0,1,0,0,0,0|1,0,1]=3 315 B5R0.4 CC(C)(O)CO RT1147 [0,1,0,0,0,0|0,0,2]=3 316 B5R0.4 CC(C)(S)CN LX2484 [0,1,0,0,0,0|1,0,1]=3 317 B5R0.4 CC(F)(F)CO YH55117 [0,1,0,0,0,0|1,0,2]=4 318 B5R0.4 CCC(C)(C)Cl LQ1095 [0,1,0,0,0,0|1,0,1]=3 319 B5R0.4 CCC(C)(C)N LQ1096 [0,1,0,0,0,0|1,0,1]=3 320 B5R0.4 CCC(C)(C)[O-] LL2022 [0,1,0,0,0,0|1,0,1]=3 321 B5R0.4 CCC(C)(Cl)Cl LQ2644 [0,1,0,0,0,0|2,0,1]=4 322 B5R0.4 CSC(C)(C)C XJ3040 [0,1,0,0,0,0|2,0,0]=3 323 B5R0.4 C[N+](C)(C)CI XJ5407 [0,1,0,0,0,0|2,0,1]=4 324 B5R0.4 C[Si](C)(C)CCl LT7112 [0,1,0,0,0,0|1,1,1]=4 325 B5R0.4 C[Si](C)(C)CN YH41576 [0,1,0,0,0,0|1,1,1]=4 326 B5R0.4 C[Si](C)(Cl)CCl LT7108 [0,1,0,0,0,0|1,1,1]=4 327 B5R0.4 O=CC(Cl)(Cl)Cl LQ0126 [0,1,0,0,0,0|2,0,0]=3 328 B5R0.4 [2H]OC(C)(C)C RT17778 [0,1,0,0,0,0|2,0,0]=3 329 B5R0.5 C=C(Br)C(=O)O LQ3418 [0,1,0,0,0,0|1,0,2]=4 330 B5R0.5 C=C(C)C(=O)Cl HL0545 [0,1,0,0,0,0|0,0,2]=3 331 B5R0.5 C=C(C)C(=O)O XJ0087 [0,1,0,0,0,0|0,0,2]=3 332 B5R0.5 C=C(C)C(=O)[O-] LQ1630 [0,1,0,0,0,0|0,0,2]=3 333 B5R0.5 C=C(C)C(C)=O LQ1438 [0,1,0,0,0,0|0,0,2]=3 334 B5R0.5 C=C(C)C(C)C LQ1068 [0,1,0,0,0,0|1,0,0]=2 335 B5R0.5 C=C(F)C(=O)O YH01395 [0,1,0,0,0,0|1,0,2]=4 336 B5R0.5 CC(=O)C(=O)[O-] JZ2145 [0,1,0,0,0,0|1,0,1]=3 337 B5R0.5 CC(=O)C(=O)[O-] LQ4156 [0,1,0,0,0,0|1,0,1]=3 338 B5R0.5 CC(=O)C(=O)[O-] RT0509 [0,1,0,0,0,0|1,0,1]=3 339 B5R0.5 CC(=O)C(C)=O RT1203 [0,1,0,0,0,0|1,0,1]=3 340 B5R0.5 CC(=O)C(C)Br LQ1437 [0,1,0,0,0,0|1,0,0]=2 341 B5R0.5 CC(=O)C(C)S LT2609 [0,1,0,0,0,0|1,0,0]=2 342 B5R0.5 CC(=O)C(Cl)Cl HL1927 [0,1,0,0,0,0|2,0,0]=3 343 B5R0.5 CC(=O)N(C)C LT7398 [0,1,0,0,0,0|1,0,0]=2 344 B5R0.5 CC(=S)N(C)C LQ1296 [0,1,0,0,0,0|1,1,0]=3 345 B5R0.5 CC(Br)C(=O)O LQ1147 [0,1,0,0,0,0|1,0,0]=2 346 B5R0.5 CC(C)=C(C)C LQ1069 [0,1,0,0,0,0|1,0,1]=3 347 B5R0.5 CC(C)B(O)O XJ6433 [0,1,0,0,0,0|1,0,1]=3 348 B5R0.5 CC(C)C(=O)[O-] JZ5651 [0,1,0,0,0,0|0,0,0]=1 349 B5R0.5 CC(C)C(=O)[O-] YH98974 [0,1,0,0,0,0|0,0,0]=1 350 B5R0.5 CC(C)C(C)C XJ0079 [0,1,0,0,0,0|1,0,1]=3 351 B5R0.5 CC(C)C(C)N LQ1148 [0,1,0,0,0,0|1,0,1]=3 352 B5R0.5 CC(C)C(C)O LQ1149 [0,1,0,0,0,0|0,0,2]=3 353 B5R0.5 CC(C)C(C)S HL2141 [0,1,0,0,0,0|0,1,1]=3 354 B5R0.5 CC(C)C(N)=O LQ1071 [0,1,0,0,0,0|0,0,0]=1 355 B5R0.5 CC(C)N(=O)=O XJ0090 [0,1,0,0,0,0|1,0,0]=2 356 B5R0.5 CC(O)C(=O)[O-] HL1943 [0,1,0,0,0,0|1,0,0]=2 357 B5R0.5 CC(O)C(=O)[O-] LT7892 [0,1,0,0,0,0|1,0,0]=2 358 B5R0.5 CC(O)C(=O)[O-] XJ1528 [0,1,0,0,0,0|1,0,0]=2 359 B5R0.5 CC(O)C(C)O HL1925 [0,1,0,0,0,0|1,0,2]=4 360 B5R0.5 CC(O)C(C)O HL3363 [0,1,0,0,0,0|1,0,2]=4 361 B5R0.5 CC(O)C(C)S LT3134 [0,1,0,0,0,0|1,0,2]=4 362 B5R0.5 CC(S)C(C)S HL2771 [0,1,0,0,0,0|1,1,1]=4 363 B5R0.5 CN(C)C(=O)Cl LT7881 [0,1,0,0,0,0|1,0,0]=2 364 B5R0.5 CN(C)C(=S)Cl LT7773 [0,1,0,0,0,0|1,1,0]=3 365 B5R0.5 CN(C)C(=S)[S-] LQ0527 [0,1,0,0,0,0|1,1,0]=3 366 B5R0.5 CN(C)C(=S)[S-] LQ3837 [0,1,0,0,0,0|1,1,0]=3 367 B5R0.5 CN(C)P(Cl)Cl HL0362 [0,1,0,0,0,0|3,0,0]=4 368 B5R0.5 CN(N)C(N)=S JZ3053 [0,1,0,0,0,0|2,1,0]=4 369 B5R0.5 CN(O)C(N)=O RT18824 [0,1,0,0,0,0|2,0,0]=3 370 B5R0.5 C[C@@H](Cl)C(=O)O XJ3332 [0,1,0,0,0,0|1,0,0]=2 371 B5R0.5 C[C@H](N)C(=O)O JZ0471 [0,1,0,0,0,0|1,0,0]=2 372 B5R0.5 C[C@H](N)C(N)=O LQ3255 [0,1,0,0,0,0|1,0,0]=2 373 B5R0.5 C[C@H](N)C(N)=O RT5023 [0,1,0,0,0,0|1,0,0]=2 374 B5R0.5 C[C@H](O)C(=O)O XJ1388 [0,1,0,0,0,0|1,0,0]=2 375 B5R0.5 C[C@H](O)C(=O)[O-] HL4794 [0,1,0,0,0,0|1,0,0]=2 376 B5R0.5 C[C@H](O)[C@H](C)O JZ5301 [0,1,0,0,0,0|1,0,2]=4 377 B5R0.5 NC(=O)C(=O)[O-] LL0996 [0,1,0,0,0,0|2,0,1]=4 378 B5R0.5 NC(=O)C(N)=O LQ0860 [0,1,0,0,0,0|2,0,1]=4 379 B5R0.5 O=C(Cl)C(=O)Cl LT7271 [0,1,0,0,0,0|2,0,1]=4 380 B5R0.5 O=C(O)C(=O)O HL1923 [0,1,0,0,0,0|2,0,1]=4 381 B5R0.5 O=C(O)C(=O)O RT0368 [0,1,0,0,0,0|2,0,1]=4 382 B5R0.5 O=C(O)C(Br)I RT0702 [0,1,0,0,0,0|2,0,0]=3 383 B5R0.5 O=C(O)C(Cl)Br JZ2788 [0,1,0,0,0,0|2,0,0]=3 384 B5R0.5 O=C(O)C(Cl)Cl LT7767 [0,1,0,0,0,0|2,0,0]=3 385 B5R0.5 O=C(O)C(Cl)I RT0646 [0,1,0,0,0,0|2,0,0]=3 386 B5R0.5 O=C(O)C(I)I RT0771 [0,1,0,0,0,0|2,0,0]=3 387 B5R0.5 O=C([O-])C(=O)O LQ0525 [0,1,0,0,0,0|2,0,1]=4 388 B5R0.5 O=C([O-])C(=O)[O-] HL1988 [0,1,0,0,0,0|2,0,1]=4 389 B5R0.5 O=C([O-])C(=O)[O-] HL1989 [0,1,0,0,0,0|2,0,1]=4 390 B5R0.5 O=C([O-])C(=O)[O-] HL3013 [0,1,0,0,0,0|2,0,1]=4 391 B5R0.5 O=C([O-])C(=O)[O-] JZ2184 [0,1,0,0,0,0|2,0,1]=4 392 B5R0.5 O=C([O-])C(=O)[O-] JZ2815 [0,1,0,0,0,0|2,0,1]=4 393 B5R0.5 O=C([O-])C(=O)[O-] JZ2832 [0,1,0,0,0,0|2,0,1]=4 394 B5R0.5 O=C([O-])C(=O)[O-] JZ2876 [0,1,0,0,0,0|2,0,1]=4 395 B5R0.5 O=C([O-])C(=O)[O-] JZ3710 [0,1,0,0,0,0|2,0,1]=4 396 B5R0.5 O=C([O-])C(=O)[O-] JZ4074 [0,1,0,0,0,0|2,0,1]=4 397 B5R0.5 O=C([O-])C(=O)[O-] LQ1067 [0,1,0,0,0,0|2,0,1]=4 398 B5R0.5 O=C([O-])C(=O)[O-] LQ1440 [0,1,0,0,0,0|2,0,1]=4 399 B5R0.5 O=C([O-])C(=O)[O-] LQ1441 [0,1,0,0,0,0|2,0,1]=4 400 B5R0.5 O=C([O-])C(=O)[O-] LQ1442 [0,1,0,0,0,0|2,0,1]=4 401 B5R0.5 O=C([O-])C(=O)[O-] LQ1443 [0,1,0,0,0,0|2,0,1]=4 402 B5R0.5 O=C([O-])C(=O)[O-] LQ1444 [0,1,0,0,0,0|2,0,1]=4 403 B5R0.5 O=C([O-])C(=O)[O-] LQ1445 [0,1,0,0,0,0|2,0,1]=4 404 B5R0.5 O=C([O-])C(=O)[O-] LQ2603 [0,1,0,0,0,0|2,0,1]=4 405 B5R0.5 O=C([O-])C(=O)[O-] LQ2980 [0,1,0,0,0,0|2,0,1]=4 406 B5R0.5 O=C([O-])C(=O)[O-] LQ3018 [0,1,0,0,0,0|2,0,1]=4 407 B5R0.5 O=C([O-])C(=O)[O-] LQ5508 [0,1,0,0,0,0|2,0,1]=4 408 B5R0.5 O=C([O-])C(=O)[O-] LT4010 [0,1,0,0,0,0|2,0,1]=4 409 B5R0.5 O=C([O-])C(=O)[O-] XJ1559 [0,1,0,0,0,0|2,0,1]=4 410 B5R0.5 O=C([O-])C(=O)[O-] XJ4019 [0,1,0,0,0,0|2,0,1]=4 411 B5R0.5 O=C([O-])C(Cl)Cl JZ1871 [0,1,0,0,0,0|2,0,0]=3 412 B5R0.5 O=[N+]([O-])C(Br)Br RT1194 [0,1,0,0,0,0|3,0,0]=4 413 B5R0.5 O=[N+]([O-])C(Cl)Br RT1187 [0,1,0,0,0,0|3,0,0]=4 414 B5R0.5 O=[N+]([O-])C(Cl)Cl RT1195 [0,1,0,0,0,0|3,0,0]=4 415 B5R0.5 [2H]C(=O)N(C)C JZ2134 [0,1,0,0,0,0|1,0,0]=2 416 B5R1.2 BrC1CCC1 LT7156 [0,0,0,1,0,0|2,0,1]=4 417 B5R1.2 FC1CNC1 RT4119 [0,0,0,1,0,0|2,0,1]=4 418 B5R1.2 FC1CNC1 YH65878 [0,0,0,1,0,0|2,0,1]=4 419 B5R1.2 IC1COC1 YH65509 [0,0,0,1,0,0|1,0,2]=4 420 B5R1.2 NC1COC1 LQ4263 [0,0,0,1,0,0|1,0,2]=4 421 B5R1.2 NC1COC1 YH65543 [0,0,0,1,0,0|1,0,2]=4 422 B5R1.2 OC1CCC1 JZ2141 [0,0,0,1,0,0|2,0,1]=4 423 B5R1.2 OC1CNC1 LQ5145 [0,0,0,1,0,0|2,0,1]=4 424 B5R1.2 OC1CNC1 LX2402 [0,0,0,1,0,0|2,0,1]=4 425 B5R1.2 OC1COC1 JZ3200 [0,0,0,1,0,0|1,0,2]=4 426 B5R1.3 BrCC1CC1 LT6195 [0,0,0,1,0,0|1,0,1]=3 427 B5R1.3 BrCC1CO1 LQ2403 [0,0,0,1,0,0|2,0,1]=4 428 B5R1.3 Br[Mg]C1CC1 XJ4727 [0,0,0,1,0,0|2,0,0]=3 429 B5R1.3 C=CC1CO1 LQ1542 [0,0,0,1,0,0|2,0,0]=3 430 B5R1.3 CNC1CC1 YH13207 [0,0,0,1,0,0|2,0,0]=3 431 B5R1.3 ClCC1CO1 RT15055 [0,0,0,1,0,0|2,0,1]=4 432 B5R1.3 ClC[C@H]1CO1 LQ5216 [0,0,0,1,0,0|2,0,1]=4 433 B5R1.3 N#CC1CO1 RT14822 [0,0,0,1,0,0|2,0,1]=4 434 B5R1.3 NCC1CC1 HL2308 [0,0,0,1,0,0|1,0,1]=3 435 B5R1.3 O=CC1CC1 HL0901 [0,0,0,1,0,0|0,0,0]=1 436 B5R1.3 OCC1CC1 LT7741 [0,0,0,1,0,0|0,0,2]=3 437 B5R1.3 OC[C@@H]1CO1 XJ5771 [0,0,0,1,0,0|1,0,2]=4 438 B5R1.3 [C@H]1(CO)CO1 XJ5900 [0,0,0,1,0,0|1,0,2]=4 439 B5R1.4 CC1OC1C XJ2416 [0,0,0,1,0,0|2,0,1]=4 440 B5R1.4 C[C@@H]1O[C@@H]1C XJ1886 [0,0,0,1,0,0|2,0,1]=4 441 B2R0.1 C=C=O LQ0834 [2,0,0,0,0,0|0,0,2]=4 442 B2R0.1 C=CCl XJ3453 [2,0,0,0,0,0|1,0,1]=4 443 B2R0.1 C=CI LQ1085 [2,0,0,0,0,0|1,0,1]=4 444 B2R0.1 C=C[CH2-] XJ3675 [2,0,0,0,0,0|0,0,2]=4 445 B2R0.1 CC#N LL1068 [2,0,0,0,0,0|1,0,1]=4 446 B2R0.1 CC#N LQ3779 [2,0,0,0,0,0|1,0,1]=4 447 B2R0.1 CC=O LQ0081 [2,0,0,0,0,0|0,0,0]=2 448 B2R0.1 CCN LQ1083 [2,0,0,0,0,0|1,0,0]=3 449 B2R0.1 CCS LQ0071 [2,0,0,0,0,0|0,1,0]=3 450 B2R0.1 CC[O-] HL0532 [2,0,0,0,0,0|0,0,1]=3 451 B2R0.1 CC[O-] HL2878 [2,0,0,0,0,0|0,0,1]=3 452 B2R0.1 CC[O-] HL4901 [2,0,0,0,0,0|0,0,1]=3 453 B2R0.1 CC[O-] JZ1966 [2,0,0,0,0,0|0,0,1]=3 454 B2R0.1 CC[O-] JZ2286 [2,0,0,0,0,0|0,0,1]=3 455 B2R0.1 CC[O-] JZ4882 [2,0,0,0,0,0|0,0,1]=3 456 B2R0.1 CC[O-] XJ5943 [2,0,0,0,0,0|0,0,1]=3 457 B2R0.1 CSC JZ3723 [2,0,0,0,0,0|1,0,0]=3 458 B2R0.1 C[Hg]O LQ1729 [2,0,0,0,0,0|1,0,1]=4 459 B2R0.1 C[N-]C JZ2361 [2,0,0,0,0,0|1,0,0]=3 460 B2R0.1 C[Se]C LQ1086 [2,0,0,0,0,0|1,0,0]=3 461 B2R0.1 C[SiH2]Cl XJ1512 [2,0,0,0,0,0|1,1,0]=4 462 B2R0.1 ClCBr RT13506 [2,0,0,0,0,0|2,0,0]=4 463 B2R0.1 FCI RT17533 [2,0,0,0,0,0|2,0,0]=4 464 B2R0.1 NCN XJ5787 [2,0,0,0,0,0|2,0,0]=4 465 B2R0.1 O=C=O HL1493 [2,0,0,0,0,0|1,0,1]=4 466 B2R0.1 O=CO JZ5436 [2,0,0,0,0,0|1,0,0]=3 467 B2R0.1 O=C[O-] HL2500 [2,0,0,0,0,0|1,0,0]=3 468 B2R0.1 O=C[O-] LQ1036 [2,0,0,0,0,0|1,0,0]=3 469 B2R0.1 O=C[O-] LQ1425 [2,0,0,0,0,0|1,0,0]=3 470 B2R0.1 O=C[O-] LQ2986 [2,0,0,0,0,0|1,0,0]=3 471 B2R0.1 O=C[O-] XJ2402 [2,0,0,0,0,0|1,0,0]=3 472 B2R0.1 O=C[O-] XJ3084 [2,0,0,0,0,0|1,0,0]=3 473 B2R0.1 O=[15N][O-] RT1049 [2,0,0,0,0,0|2,0,0]=4 474 B2R0.1 O=[Pt]=O RT17671 [2,0,0,0,0,0|2,0,0]=4 475 B2R0.1 [18O]=N[18O-] RT1046 [2,0,0,0,0,0|2,0,0]=4 476 B4R0.2 C#CCCC HL0250 [1,1,0,0,0,0|1,0,1]=4 477 B4R0.2 C#CCCO LT6746 [1,1,0,0,0,0|1,0,1]=4 478 B4R0.2 C#CCNC RT0490 [1,1,0,0,0,0|1,0,1]=4 479 B4R0.2 C=CCC=C HL0109 [1,1,0,0,0,0|1,0,1]=4 480 B4R0.2 C=CCCBr LQ2822 [1,1,0,0,0,0|1,0,0]=3 481 B4R0.2 C=CCCN LQ2198 [1,1,0,0,0,0|1,0,0]=3 482 B4R0.2 C=CCOC HL0257 [1,1,0,0,0,0|1,0,0]=3 483 B4R0.2 C=C\C=C\C XJ0878 [1,1,0,0,0,0|1,0,1]=4 484 B4R0.2 CCCCN LQ2553 [1,1,0,0,0,0|1,0,1]=4 485 B4R0.2 CCCCS LL0387 [1,1,0,0,0,0|0,1,1]=4 486 B4R0.2 CCCC[O-] HL2476 [1,1,0,0,0,0|0,0,2]=4 487 B4R0.2 CCCC[O-] LQ4485 [1,1,0,0,0,0|0,0,2]=4 488 B4R0.2 CCC[Mg]Br LQ1517 [1,1,0,0,0,0|1,0,1]=4 489 B4R0.2 CCC[Mg]Cl XJ2093 [1,1,0,0,0,0|1,0,1]=4 490 B4R0.2 CCC[Zn-]Br HL3580 [1,1,0,0,0,0|1,0,1]=4 491 B4R0.2 CCOC=N LQ3955 [1,1,0,0,0,0|1,0,0]=3 492 B4R0.2 CCOC=O LL0396 [1,1,0,0,0,0|0,0,0]=2 493 B4R0.2 CCOCC LL1197 [1,1,0,0,0,0|1,0,1]=4 494 B4R0.2 CCOCC XJ5008 [1,1,0,0,0,0|1,0,1]=4 495 B4R0.2 CCSC#N XJ0959 [1,1,0,0,0,0|1,0,1]=4 496 B4R0.2 CCSSC LQ4240 [1,1,0,0,0,0|1,1,0]=4 497 B4R0.2 CC[AlH3+]CC LL0219 [1,1,0,0,0,0|1,0,1]=4 498 B4R0.2 CC[N-]CC RT4825 [1,1,0,0,0,0|1,0,1]=4 499 B4R0.2 CC[NH2+]CC XJ6105 [1,1,0,0,0,0|1,0,1]=4 500 B4R0.2 CC[Se]CC RT0534 [1,1,0,0,0,0|1,0,1]=4 501 B4R0.2 CNCCCl RT4724 [1,1,0,0,0,0|1,0,1]=4 502 B4R0.2 CNCCCl YH54353 [1,1,0,0,0,0|1,0,1]=4 503 B4R0.2 CNCCN LL0389 [1,1,0,0,0,0|1,0,1]=4 504 B4R0.2 COCC#N JZ4756 [1,1,0,0,0,0|1,0,1]=4 505 B4R0.2 COCCN LL0392 [1,1,0,0,0,0|1,0,1]=4 506 B4R0.2 COCCO XJ3502 [1,1,0,0,0,0|0,0,2]=4 507 B4R0.2 CSCC=O JZ5555 [1,1,0,0,0,0|0,0,0]=2 508 B4R0.2 CSCCO JZ2661 [1,1,0,0,0,0|0,0,2]=4 509 B4R0.2 C\C=C/CO YH00287 [1,1,0,0,0,0|0,0,2]=4 510 B4R0.2 C\C=C\C=O XJ0511 [1,1,0,0,0,0|0,0,1]=3 511 B4R0.2 C\C=C\CC XJ1213 [1,1,0,0,0,0|1,0,0]=3 512 B4R0.2 C\C=C\CCl HL0110 [1,1,0,0,0,0|1,0,1]=4 513 B4R0.2 C\C=C\CN YH07653 [1,1,0,0,0,0|1,0,1]=4 514 B4R0.2 ClCCCI JZ3062 [1,1,0,0,0,0|1,0,1]=4 515 B4R0.2 Cl\C=C\CCl XJ0956 [1,1,0,0,0,0|1,0,1]=4 516 B4R0.2 FCCCBr SY0223 [1,1,0,0,0,0|1,0,1]=4 517 B4R0.2 N#CCCBr JZ2023 [1,1,0,0,0,0|1,0,1]=4 518 B4R0.2 N#CCCO RT1105 [1,1,0,0,0,0|1,0,1]=4 519 B4R0.2 NCCCBr HL2839 [1,1,0,0,0,0|1,0,1]=4 520 B4R0.2 NCCCCl LT6768 [1,1,0,0,0,0|1,0,1]=4 521 B4R0.2 NCCON RT0317 [1,1,0,0,0,0|2,0,0]=4 522 B4R0.2 NNCCO LT2306 [1,1,0,0,0,0|2,0,0]=4 523 B4R0.2 O=C[N-]C=O YH41619 [1,1,0,0,0,0|1,0,1]=4 524 B4R0.2 OCCCBr HL0249 [1,1,0,0,0,0|0,0,2]=4 525 B4R0.2 OCCCI HL0254 [1,1,0,0,0,0|0,0,2]=4 526 B4R0.2 OCCCO XJ0879 [1,1,0,0,0,0|0,0,2]=4 527 B4R0.2 SCCCS LL0388 [1,1,0,0,0,0|0,1,1]=4 528 B4R0.3 CC(C)(Br)Br LQ1091 [1,1,0,0,0,0|1,0,0]=3 529 B4R0.3 CC(C)(C)Br HL1886 [1,1,0,0,0,0|0,0,1]=3 530 B4R0.3 CC(C)(C)I LQ1044 [1,1,0,0,0,0|0,0,1]=3 531 B4R0.3 CC(C)(C)N LQ0109 [1,1,0,0,0,0|0,0,1]=3 532 B4R0.3 CC(C)(C)S LQ0111 [1,1,0,0,0,0|0,0,1]=3 533 B4R0.3 CC(C)(C)[O-] YH42977 [1,1,0,0,0,0|0,0,1]=3 534 B4R0.3 CC(C)(C)[O-] YH90670 [1,1,0,0,0,0|0,0,1]=3 535 B4R0.3 CC(Cl)(Cl)Cl HL1090 [1,1,0,0,0,0|2,0,0]=4 536 B4R0.3 CC(Cl)(Cl)Cl JZ5685 [1,1,0,0,0,0|2,0,0]=4 537 B4R0.3 CC(F)(F)Cl LQ0112 [1,1,0,0,0,0|2,0,0]=4 538 B4R0.3 CP(C)(=O)Cl XJ1549 [1,1,0,0,0,0|1,0,0]=3 539 B4R0.3 CP(C)(=S)Cl XJ1515 [1,1,0,0,0,0|1,1,0]=4 540 B4R0.3 CP(C)(C)=O HL0340 [1,1,0,0,0,0|1,0,0]=3 541 B4R0.3 CP(C)(C)=S JZ2008 [1,1,0,0,0,0|1,0,1]=4 542 B4R0.3 CS(=O)(=O)Cl RT17773 [1,1,0,0,0,0|2,0,0]=4 543 B4R0.3 CS(=O)(=O)F CJ2463 [1,1,0,0,0,0|2,0,0]=4 544 B4R0.3 CS(=O)(=O)[O-] LL1481 [1,1,0,0,0,0|2,0,0]=4 545 B4R0.3 CS(C)(=O)=S YH20749 [1,1,0,0,0,0|1,0,0]=3 546 B4R0.3 CS(N)(=O)=O YH53906 [1,1,0,0,0,0|2,0,0]=4 547 B4R0.3 C[As+](C)(C)C RT1258 [1,1,0,0,0,0|1,0,1]=4 548 B4R0.3 C[As](C)(=O)[O-] LT7052 [1,1,0,0,0,0|1,0,0]=3 549 B4R0.3 C[As](C)(=O)[O-] XJ3003 [1,1,0,0,0,0|1,0,0]=3 550 B4R0.3 C[As](C)(C)=O RT18761 [1,1,0,0,0,0|1,0,0]=3 551 B4R0.3 C[Ge](C)(C)C XJ1380 [1,1,0,0,0,0|0,1,1]=4 552 B4R0.3 C[N+](C)(C)C HL3369 [1,1,0,0,0,0|1,0,1]=4 553 B4R0.3 C[N+](C)(C)C HL4142 [1,1,0,0,0,0|1,0,1]=4 554 B4R0.3 C[N+](C)(C)C JZ1791 [1,1,0,0,0,0|1,0,1]=4 555 B4R0.3 C[N+](C)(C)C JZ3462 [1,1,0,0,0,0|1,0,1]=4 556 B4R0.3 C[N+](C)(C)C JZ4899 [1,1,0,0,0,0|1,0,1]=4 557 B4R0.3 C[N+](C)(C)C JZ5137 [1,1,0,0,0,0|1,0,1]=4 558 B4R0.3 C[N+](C)(C)C LL1382 [1,1,0,0,0,0|1,0,1]=4 559 B4R0.3 C[N+](C)(C)C LL2539 [1,1,0,0,0,0|1,0,1]=4 560 B4R0.3 C[N+](C)(C)C LQ2217 [1,1,0,0,0,0|1,0,1]=4 561 B4R0.3 C[N+](C)(C)C LQ3412 [1,1,0,0,0,0|1,0,1]=4 562 B4R0.3 C[N+](C)(C)C LQ3869 [1,1,0,0,0,0|1,0,1]=4 563 B4R0.3 C[N+](C)(C)C LT7161 [1,1,0,0,0,0|1,0,1]=4 564 B4R0.3 C[N+](C)(C)C XJ0720 [1,1,0,0,0,0|1,0,1]=4 565 B4R0.3 C[N+](C)(C)C XJ1286 [1,1,0,0,0,0|1,0,1]=4 566 B4R0.3 C[N+](C)(C)C XJ6647 [1,1,0,0,0,0|1,0,1]=4 567 B4R0.3 C[N+](C)(C)C XJ6806 [1,1,0,0,0,0|1,0,1]=4 568 B4R0.3 C[P+](C)(C)C HL2758 [1,1,0,0,0,0|1,0,1]=4 569 B4R0.3 C[S+](C)(C)=O HL2856 [1,1,0,0,0,0|1,0,0]=3 570 B4R0.3 C[S+](C)(C)=O XJ1911 [1,1,0,0,0,0|1,0,0]=3 571 B4R0.3 C[S+](C)(C)=O XJ4842 [1,1,0,0,0,0|1,0,0]=3 572 B4R0.3 C[Si](C)(C)Cl JZ1345 [1,1,0,0,0,0|0,1,1]=4 573 B4R0.3 C[Si](C)(C)I JZ1572 [1,1,0,0,0,0|0,1,1]=4 574 B4R0.3 C[Si](C)(Cl)Cl LQ0118 [1,1,0,0,0,0|1,1,0]=4 575 B4R0.3 C[Si](C)(O)O RT18565 [1,1,0,0,0,0|0,1,1]=4 576 B4R0.3 C[Sn](C)(Br)Br HL2337 [1,1,0,0,0,0|2,0,0]=4 577 B4R0.3 C[Sn](C)(C)Br LQ1606 [1,1,0,0,0,0|1,0,1]=4 578 B4R0.3 C[Sn](C)(C)C LQ1093 [1,1,0,0,0,0|1,0,1]=4 579 B4R0.3 C[Sn](C)(C)O LQ0041 [1,1,0,0,0,0|1,0,1]=4 580 B4R0.3 C[Sn](C)(Cl)Cl XJ1304 [1,1,0,0,0,0|2,0,0]=4 581 B6R0.1 C#CC(C)CCC LQ5005 [0,2,0,0,0,0|1,0,1]=4 582 B6R0.1 C=CC(N)CCO YH91593 [0,2,0,0,0,0|2,0,0]=4 583 B6R0.1 C=CCC(O)C=C LQ1497 [0,2,0,0,0,0|2,0,0]=4 584 B6R0.1 CCC(C)CC=O JZ5060 [0,2,0,0,0,0|0,0,0]=2 585 B6R0.1 CCC(C)CCO HL0061 [0,2,0,0,0,0|0,0,2]=4 586 B6R0.1 CCC(C)CCO LL2797 [0,2,0,0,0,0|0,0,2]=4 587 B6R0.1 CCC(C)CCO LQ4221 [0,2,0,0,0,0|0,0,2]=4 588 B6R0.1 CCCC(C)C#N YH11272 [0,2,0,0,0,0|1,0,1]=4 589 B6R0.1 CCCC(C)CC HL0060 [0,2,0,0,0,0|1,0,1]=4 590 B6R0.1 CCOC(=O)C=O LQ1498 [0,2,0,0,0,0|1,0,1]=4 591 B6R0.1 CC\C=C(/C)C=O XJ1141 [0,2,0,0,0,0|0,0,1]=3 592 B6R0.1 CSC(C)CC=O LT2625 [0,2,0,0,0,0|0,0,0]=2 593 B6R0.1 C\C(=C/C#N)CCl RT0093 [0,2,0,0,0,0|1,0,1]=4 594 B6R0.1 C\C(=C/CBr)CCl RT0131 [0,2,0,0,0,0|1,0,1]=4 595 B6R0.1 C\C=C\C(C)=C\C LQ4645 [0,2,0,0,0,0|1,0,1]=4 596 B6R0.2 CC(=O)CC(=O)[O-] LQ2436 [0,2,0,0,0,0|1,0,1]=4 597 B6R0.2 CC(=O)CC(C)=O LQ3994 [0,2,0,0,0,0|1,0,1]=4 598 B6R0.2 CC(=O)CC(C)=O XJ0505 [0,2,0,0,0,0|1,0,1]=4 599 B6R0.2 CC(=O)CC(C)C LQ0378 [0,2,0,0,0,0|0,0,0]=2 600 B6R0.2 CC(=O)NC(C)=O XJ1199 [0,2,0,0,0,0|1,0,1]=4 601 B6R0.2 CC(=O)NC(N)=O HL0091 [0,2,0,0,0,0|1,0,1]=4 602 B6R0.2 CC(=O)OC(C)Br LQ5001 [0,2,0,0,0,0|1,0,0]=3 603 B6R0.2 CC(=O)OC(C)C LQ0385 [0,2,0,0,0,0|0,0,0]=2 604 B6R0.2 CC(=O)\C=C(/C)N XJ1576 [0,2,0,0,0,0|1,0,1]=4 605 B6R0.2 CC(=O)\C=C(/C)[O-] LL2811 [0,2,0,0,0,0|1,0,1]=4 606 B6R0.2 CC(=O)\C=C(\C)[O-] JZ5312 [0,2,0,0,0,0|1,0,1]=4 607 B6R0.2 CC(=O)\C=C(\C)[O-] LL1065 [0,2,0,0,0,0|1,0,1]=4 608 B6R0.2 CC(=O)\C=C(\C)[O-] LQ3492 [0,2,0,0,0,0|1,0,1]=4 609 B6R0.2 CC(=O)\C=C(\C)[O-] XJ4055 [0,2,0,0,0,0|1,0,1]=4 610 B6R0.2 CC(=O)\C=C(\C)[O-] XJ4174 [0,2,0,0,0,0|1,0,1]=4 611 B6R0.2 CC(Br)CC(=O)O JZ2085 [0,2,0,0,0,0|1,0,0]=3 612 B6R0.2 CC(C)=CC(=O)O XJ0940 [0,2,0,0,0,0|0,0,1]=3 613 B6R0.2 CC(C)CB(O)O XJ6479 [0,2,0,0,0,0|0,0,2]=4 614 B6R0.2 CC(C)CC(=O)O XJ0871 [0,2,0,0,0,0|0,0,0]=2 615 B6R0.2 CC(C)CC(C)C LQ0376 [0,2,0,0,0,0|1,0,1]=4 616 B6R0.2 CC(C)CC(C)N XJ6268 [0,2,0,0,0,0|1,0,1]=4 617 B6R0.2 CC(C)CC(N)=O XJ0939 [0,2,0,0,0,0|0,0,0]=2 618 B6R0.2 CC(C)C[C@H](C)O JZ4964 [0,2,0,0,0,0|0,0,2]=4 619 B6R0.2 CC(C)NC(C)C YH12518 [0,2,0,0,0,0|1,0,1]=4 620 B6R0.2 CC(C)NC(N)=S JZ4711 [0,2,0,0,0,0|0,1,0]=3 621 B6R0.2 CC(C)OC(=O)Cl LQ0387 [0,2,0,0,0,0|0,0,0]=2 622 B6R0.2 CC(C)OC(=S)[S-] XJ0566 [0,2,0,0,0,0|0,1,0]=3 623 B6R0.2 CC(C)O[N+](=O)[O-] JZ4698 [0,2,0,0,0,0|1,0,0]=3 624 B6R0.2 CC(C)SC(=N)N XJ5791 [0,2,0,0,0,0|1,0,0]=3 625 B6R0.2 CC(N)CC(=O)O JZ1398 [0,2,0,0,0,0|1,0,0]=3 626 B6R0.2 CC(O)CC(=O)O LL0657 [0,2,0,0,0,0|1,0,0]=3 627 B6R0.2 CC(O)CC(=O)[O-] LQ0611 [0,2,0,0,0,0|1,0,0]=3 628 B6R0.2 CC(O)CC(=O)[O-] YH53256 [0,2,0,0,0,0|1,0,0]=3 629 B6R0.2 CN(C)CC(=O)Cl CJ3040 [0,2,0,0,0,0|1,0,0]=3 630 B6R0.2 C[C@@H](N)CC(=O)O HL2631 [0,2,0,0,0,0|1,0,0]=3 631 B6R0.2 C[C@H](N)CC(=O)O HL2630 [0,2,0,0,0,0|1,0,0]=3 632 B6R0.2 C[C@H](N)CC(=O)O LQ5428 [0,2,0,0,0,0|1,0,0]=3 633 B6R0.2 C[C@H](N)CC(=O)O YH57972 [0,2,0,0,0,0|1,0,0]=3 634 B6R0.2 C[C@H](N)CC(=O)O YH66623 [0,2,0,0,0,0|1,0,0]=3 635 B6R0.2 C[S+](C)CC(=O)[O-] LQ2769 [0,2,0,0,0,0|1,0,0]=3 636 B6R0.3 C#CC(O)C(C)C LL0994 [0,2,0,0,0,0|0,0,2]=4 637 B6R0.3 C=C(C)C(=O)OC XJ0124 [0,2,0,0,0,0|0,0,2]=4 638 B6R0.3 C=C(CBr)C(=O)O RT1276 [0,2,0,0,0,0|0,0,2]=4 639 B6R0.3 C=CN(C)C(C)=O JZ2249 [0,2,0,0,0,0|1,0,1]=4 640 B6R0.3 C=C[C@@H](N)C(=O)O YH05396 [0,2,0,0,0,0|1,0,1]=4 641 B6R0.3 C=C[C@H](N)C(=O)O YH15079 [0,2,0,0,0,0|1,0,1]=4 642 B6R0.3 CC(=O)C(=O)CBr YH65550 [0,2,0,0,0,0|1,0,1]=4 643 B6R0.3 CC(=O)C(C)CO HL2533 [0,2,0,0,0,0|0,0,0]=2 644 B6R0.3 CC(=O)\C(C)=C\[O-] RT1132 [0,2,0,0,0,0|0,0,2]=4 645 B6R0.3 CC(=O)\C(C)=N\O LL0011 [0,2,0,0,0,0|1,0,1]=4 646 B6R0.3 CC(C)C(=O)NN XJ2497 [0,2,0,0,0,0|0,0,0]=2 647 B6R0.3 CC(C)[C@@H](C)CO RT0504 [0,2,0,0,0,0|0,0,2]=4 648 B6R0.3 CC(C)[C@H](C)CBr RT1116 [0,2,0,0,0,0|1,0,1]=4 649 B6R0.3 CC(C)[C@H](C)CO RT1115 [0,2,0,0,0,0|0,0,2]=4 650 B6R0.3 CC(C)[C@H](N)CO LT7570 [0,2,0,0,0,0|0,0,2]=4 651 B6R0.3 CC(CBr)C(=O)O RT17689 [0,2,0,0,0,0|0,0,0]=2 652 B6R0.3 CC(CN)C(=O)O JZ1399 [0,2,0,0,0,0|0,0,0]=2 653 B6R0.3 CC(CN)C(=O)O RT5016 [0,2,0,0,0,0|0,0,0]=2 654 B6R0.3 CC(CN)C(=O)O YH46231 [0,2,0,0,0,0|0,0,0]=2 655 B6R0.3 CC(CO)C(=O)O RT16856 [0,2,0,0,0,0|0,0,0]=2 656 B6R0.3 CCC(=O)N(C)C XJ1308 [0,2,0,0,0,0|1,0,0]=3 657 B6R0.3 CCC(=O)N(C)C XJ1318 [0,2,0,0,0,0|1,0,0]=3 658 B6R0.3 CCC(C)C(=O)Cl LT2056 [0,2,0,0,0,0|0,0,0]=2 659 B6R0.3 CCC(C)C(=O)[O-] LL2514 [0,2,0,0,0,0|0,0,0]=2 660 B6R0.3 CCC(C)C(C)C LL0990 [0,2,0,0,0,0|1,0,1]=4 661 B6R0.3 CCC(Cl)C(=O)O HL2688 [0,2,0,0,0,0|1,0,0]=3 662 B6R0.3 CCC(Cl)C(N)=O XJ3322 [0,2,0,0,0,0|1,0,0]=3 663 B6R0.3 CCC(N)C(=O)O JZ1396 [0,2,0,0,0,0|1,0,0]=3 664 B6R0.3 CCC(N)C(=O)O JZ1397 [0,2,0,0,0,0|1,0,0]=3 665 B6R0.3 CCC(O)C(=O)[O-] JZ5280 [0,2,0,0,0,0|1,0,0]=3 666 B6R0.3 CCC(O)C(C)C LL0993 [0,2,0,0,0,0|0,0,2]=4 667 B6R0.3 CCC(S)C(C)=O LL1144 [0,2,0,0,0,0|1,0,0]=3 668 B6R0.3 CCN(C)C(=O)Cl RT17546 [0,2,0,0,0,0|1,0,0]=3 669 B6R0.3 CC[C@@H](Br)C(=O)O RT0003 [0,2,0,0,0,0|1,0,0]=3 670 B6R0.3 CC[C@@H](C)C(=O)O RT0213 [0,2,0,0,0,0|0,0,0]=2 671 B6R0.3 CC[C@@H](N)C(=O)O JZ1364 [0,2,0,0,0,0|1,0,0]=3 672 B6R0.3 CC[C@H](N)C(N)=O LQ3256 [0,2,0,0,0,0|1,0,0]=3 673 B6R0.3 CC[C@H](N)C(N)=O LX2937 [0,2,0,0,0,0|1,0,0]=3 674 B6R0.3 CN(C)C(=O)CCl XJ2231 [0,2,0,0,0,0|1,0,0]=3 675 B6R0.3 CN(CO)[N+](=O)[O-] RT0508 [0,2,0,0,0,0|2,0,0]=4 676 B6R0.3 CN(N=O)C(N)=O HL0366 [0,2,0,0,0,0|2,0,0]=4 677 B6R0.3 CNC(=O)N(C)C LQ1298 [0,2,0,0,0,0|1,0,0]=3 678 B6R0.3 COC(=O)C(C)=O LT7441 [0,2,0,0,0,0|1,0,1]=4 679 B6R0.3 COC(=O)C(C)C HL1985 [0,2,0,0,0,0|0,0,0]=2 680 B6R0.3 COC(=O)C(C)S RT19716 [0,2,0,0,0,0|1,0,0]=3 681 B6R0.3 COC(=O)C(Cl)Cl LQ0448 [0,2,0,0,0,0|2,0,0]=4 682 B6R0.3 COC(=O)[C@@H](C)N JZ1659 [0,2,0,0,0,0|1,0,0]=3 683 B6R0.3 COC(=O)[C@@H](C)O RT0506 [0,2,0,0,0,0|1,0,0]=3 684 B6R0.3 CON(C)C(C)=O LL1390 [0,2,0,0,0,0|1,0,0]=3 685 B6R0.3 C\C=C(/C)C(=O)Cl RT17529 [0,2,0,0,0,0|0,0,1]=3 686 B6R0.3 C\C=C(/C)C(=O)O RT0199 [0,2,0,0,0,0|0,0,1]=3 687 B6R0.3 C\C=C(/C)C(C)=O LL0992 [0,2,0,0,0,0|0,0,1]=3 688 B6R0.3 C\C=C(\C)C(=O)O LX1016 [0,2,0,0,0,0|0,0,1]=3 689 B6R0.3 NC(=O)C(Br)CBr XJ4149 [0,2,0,0,0,0|1,0,0]=3 690 B6R0.3 NC(CCl)C(=O)O RT4761 [0,2,0,0,0,0|1,0,0]=3 691 B6R0.3 NC(CO)C(=O)O JZ1426 [0,2,0,0,0,0|1,0,0]=3 692 B6R0.3 NCC(N)C(=O)O HL1942 [0,2,0,0,0,0|1,0,0]=3 693 B6R0.3 NC[C@H](O)C(=O)O LX3228 [0,2,0,0,0,0|1,0,0]=3 694 B6R0.3 N[C@@H](CO)C(=O)O JZ0405 [0,2,0,0,0,0|1,0,0]=3 695 B6R0.3 N[C@@H](CS)C(=O)O JZ0515 [0,2,0,0,0,0|1,0,0]=3 696 B6R0.3 N[C@@H](CS)C(=O)O JZ0516 [0,2,0,0,0,0|1,0,0]=3 697 B6R0.3 N[C@@H](CS)C(=O)O JZ1611 [0,2,0,0,0,0|1,0,0]=3 698 B6R0.3 N[C@H](CO)C(=O)O JZ1445 [0,2,0,0,0,0|1,0,0]=3 699 B6R0.3 N[C@H](CS)C(=O)O JZ1381 [0,2,0,0,0,0|1,0,0]=3 700 B6R0.3 N[C@H](CS)C(=O)O JZ1382 [0,2,0,0,0,0|1,0,0]=3 701 B6R0.3 N[C@H](CS)C(=O)O JZ1384 [0,2,0,0,0,0|1,0,0]=3 702 B6R0.3 O=C(CCl)C(Cl)Cl HL0548 [0,2,0,0,0,0|2,0,0]=4 703 B6R0.3 O=C(Cl)C(Br)CBr LQ4095 [0,2,0,0,0,0|1,0,0]=3 704 B6R0.3 O=C(O)C(=O)CBr LT6742 [0,2,0,0,0,0|1,0,1]=4 705 B6R0.3 O=C(O)C(O)CCl RT1118 [0,2,0,0,0,0|1,0,0]=3 706 B6R0.3 O=C(O)C(O)CS RT17775 [0,2,0,0,0,0|1,0,0]=3 707 B6R0.3 O=C([O-])C(O)CO LL1137 [0,2,0,0,0,0|1,0,0]=3 708 B6R0.3 O=C([O-])C(O)CO LT7565 [0,2,0,0,0,0|1,0,0]=3 709 B6R0.3 O=CC(F)C(=O)O RT1091 [0,2,0,0,0,0|1,0,1]=4 710 B6R0.3 [C@@H](C)(N)C(=O)OC JZ1603 [0,2,0,0,0,0|1,0,0]=3 711 B6R0.3 [C@H](N)(CC)C(=O)O LX2077 [0,2,0,0,0,0|1,0,0]=3 712 B6R0.4 C#CCCC(C)C JZ1939 [0,2,0,0,0,0|1,0,1]=4 713 B6R0.4 C=CCCC(C)C JZ2300 [0,2,0,0,0,0|1,0,0]=3 714 B6R0.4 CC(C)=CCCBr HL2172 [0,2,0,0,0,0|1,0,1]=4 715 B6R0.4 CC(C)CCC=O RT0502 [0,2,0,0,0,0|0,0,0]=2 716 B6R0.4 CC(C)CCCBr HL0240 [0,2,0,0,0,0|1,0,1]=4 717 B6R0.4 CC(C)CN=C=S HL0107 [0,2,0,0,0,0|0,1,1]=4 718 B6R0.4 CC(C)COC=O XJ0953 [0,2,0,0,0,0|0,0,0]=2 719 B6R0.4 CC(C)OCCO LQ0441 [0,2,0,0,0,0|0,0,2]=4 720 B6R0.4 CCCSC(C)C HL2844 [0,2,0,0,0,0|1,0,1]=4 721 B6R0.4 CN(C)\C=C\C#N YH66333 [0,2,0,0,0,0|2,0,0]=4 722 B6R0.5 C=CC[N+](C)(C)C LQ1810 [0,2,0,0,0,0|2,0,0]=4 723 B6R0.5 CC#CC(C)(C)C HL0639 [0,2,0,0,0,0|1,0,1]=4 724 B6R0.5 CC(C)(C)CCBr HL0956 [0,2,0,0,0,0|1,0,1]=4 725 B6R0.5 CC(C)(C)CCO XJ1179 [0,2,0,0,0,0|0,0,2]=4 726 B6R0.5 CC(C)(C)N=C=O XJ1845 [0,2,0,0,0,0|0,0,1]=3 727 B6R0.5 CC(C)(C)NC=O JZ2037 [0,2,0,0,0,0|0,0,0]=2 728 B6R0.5 CC(C)(N)CCO YH01120 [0,2,0,0,0,0|0,0,2]=4 729 B6R0.5 CC(C)(O)CCBr RT0161 [0,2,0,0,0,0|1,0,1]=4 730 B6R0.5 CC(C)(O)CCCl RT0158 [0,2,0,0,0,0|1,0,1]=4 731 B6R0.5 CCCC(C)(C)Cl LQ2678 [0,2,0,0,0,0|1,0,1]=4 732 B6R0.5 CCCC(C)(C)O HL0081 [0,2,0,0,0,0|1,0,1]=4 733 B6R0.5 CCOC(C)(C)C JZ4054 [0,2,0,0,0,0|1,0,1]=4 734 B6R0.5 COCC(C)(C)O JZ2366 [0,2,0,0,0,0|0,0,2]=4 735 B6R0.5 C[N+](C)(C)CC=O RT17781 [0,2,0,0,0,0|1,0,0]=3 736 B6R0.5 C[Si](C)(C)\C=C\I YH66357 [0,2,0,0,0,0|1,1,0]=4 737 B6R0.8 C#CC(C)(O)CC LT2616 [0,2,0,0,0,0|1,0,1]=4 738 B6R0.8 C=CC(C)(O)CC HL0539 [0,2,0,0,0,0|1,0,0]=3 739 B6R0.8 CC(C)(C=O)CO LQ1118 [0,2,0,0,0,0|0,0,0]=2 740 B6R0.8 CC(C)(CO)CCl XJ3884 [0,2,0,0,0,0|0,0,2]=4 741 B6R0.8 CCC(C)(C)CC LQ1054 [0,2,0,0,0,0|1,0,1]=4 742 B6R0.8 CCC(C)(C)O[Na] LQ3782 [0,2,0,0,0,0|1,0,1]=4 743 B6R0.8 CCC(C)(O)C#N RT17545 [0,2,0,0,0,0|1,0,1]=4 744 B6R0.8 COC(C)(C)OC LT6181 [0,2,0,0,0,0|2,0,0]=4 745 B6R0.9 CCC(CC)CN LQ1208 [0,2,0,0,0,0|1,0,1]=4 746 B6R0.9 CCN(C=O)CC LQ1209 [0,2,0,0,0,0|1,0,0]=3 747 B6R0.9 COC(C=O)OC LQ5229 [0,2,0,0,0,0|0,0,0]=2 748 B6R0.9 COC(CBr)OC LT7038 [0,2,0,0,0,0|1,0,1]=4 749 B6R0.9 COC(CCl)OC LT7109 [0,2,0,0,0,0|1,0,1]=4 750 B6R0.9 COC(CN)OC LT6925 [0,2,0,0,0,0|1,0,1]=4 751 B6R0.9 OCC(CO)CO YH02578 [0,2,0,0,0,0|0,0,2]=4 752 B6R0.7 CC(=O)C(Cl)(Cl)Cl HL0536 [0,2,0,0,0,0|2,0,0]=4 753 B6R0.7 CC(C)(Br)C(=O)Br XJ4581 [0,2,0,0,0,0|0,0,0]=2 754 B6R0.7 CC(C)(Br)C(=O)O HL2102 [0,2,0,0,0,0|0,0,0]=2 755 B6R0.7 CC(C)(Br)C(N)=O YH16835 [0,2,0,0,0,0|0,0,0]=2 756 B6R0.7 CC(C)(C)C(=N)N XJ4393 [0,2,0,0,0,0|1,0,0]=3 757 B6R0.7 CC(C)(C)C(=O)Cl JZ0680 [0,2,0,0,0,0|0,0,0]=2 758 B6R0.7 CC(C)(C)C(=O)O JZ0676 [0,2,0,0,0,0|0,0,0]=2 759 B6R0.7 CC(C)(C)C(N)=S LQ1285 [0,2,0,0,0,0|0,1,0]=3 760 B6R0.7 CC(C)(C)S(=O)Cl LQ4733 [0,2,0,0,0,0|1,0,0]=3 761 B6R0.7 CC(C)(C)[N+](=O)[O-] LQ1103 [0,2,0,0,0,0|1,0,0]=3 762 B6R0.7 CC(C)(C)[N+](=O)[O-] XJ0928 [0,2,0,0,0,0|1,0,0]=3 763 B6R0.7 CC(C)(C)[S@@](N)=O HL3531 [0,2,0,0,0,0|1,0,0]=3 764 B6R0.7 CC(C)(C)[S@@](N)=O LT1104 [0,2,0,0,0,0|1,0,0]=3 765 B6R0.7 CC(C)(C)[S@@](N)=O LT1105 [0,2,0,0,0,0|1,0,0]=3 766 B6R0.7 CC(C)(Cl)[N+](=O)[O-] LQ1104 [0,2,0,0,0,0|1,0,0]=3 767 B6R0.7 CC(C)(N)C(=O)O JZ1007 [0,2,0,0,0,0|0,0,0]=2 768 B6R0.7 CC(C)(O)C(=O)O LQ1101 [0,2,0,0,0,0|0,0,0]=2 769 B6R0.7 CC(C)(O)C(N)=O LQ3549 [0,2,0,0,0,0|0,0,0]=2 770 B6R0.7 CC(C)(S)C(=O)O LQ2741 [0,2,0,0,0,0|0,0,0]=2 771 B6R0.7 CC(C)C(C)(C)C LQ0838 [0,2,0,0,0,0|1,0,1]=4 772 B6R0.7 CC(C)S(=O)(=O)Cl JZ3445 [0,2,0,0,0,0|1,0,0]=3 773 B6R0.7 CC(C)S(=O)(=O)[O-] LT6614 [0,2,0,0,0,0|1,0,0]=3 774 B6R0.7 CC(Cl)(Cl)C(=O)O LQ0132 [0,2,0,0,0,0|1,0,0]=3 775 B6R0.7 CC(Cl)(Cl)C(=O)[O-] HL1538 [0,2,0,0,0,0|1,0,0]=3 776 B6R0.7 CC(N)C(C)(C)C LQ2546 [0,2,0,0,0,0|1,0,1]=4 777 B6R0.7 CC(O)C(C)(C)C LQ0839 [0,2,0,0,0,0|0,0,2]=4 778 B6R0.7 CN(C)P(=O)(Cl)Cl HL0344 [0,2,0,0,0,0|2,0,0]=4 779 B6R0.7 CN(C)S(=O)(=O)Cl XJ3857 [0,2,0,0,0,0|2,0,0]=4 780 B6R0.7 CN(C)S(N)(=O)=O RT0021 [0,2,0,0,0,0|2,0,0]=4 781 B6R0.7 O=C(O)C(F)(F)F YH17566 [0,2,0,0,0,0|2,0,0]=4 782 B6R0.7 O=C([O-])C(Cl)(Cl)Cl XJ1225 [0,2,0,0,0,0|2,0,0]=4 783 B6R0.7 O=C([O-])C(F)(F)F JZ5593 [0,2,0,0,0,0|2,0,0]=4 784 B6R0.7 O=C([O-])C(F)(F)F XJ2481 [0,2,0,0,0,0|2,0,0]=4 785 B4R1.1 C1CNC1 LX2166 [1,0,0,1,0,0|1,0,1]=4 786 B4R1.1 C1CNC1 XJ0867 [1,0,0,1,0,0|1,0,1]=4 787 B4R1.2 BrC1CC1 JZ2471 [1,0,0,1,0,0|1,0,1]=4 788 B4R1.2 CC1=CC1 LQ2353 [1,0,0,1,0,0|1,0,1]=4 789 B4R1.2 CC1CN1 RT4107 [1,0,0,1,0,0|1,0,1]=4 790 B4R1.2 C[C@H]1CO1 XJ4234 [1,0,0,1,0,0|0,0,2]=4 791 B4R1.2 ClC1CC1 XJ1608 [1,0,0,1,0,0|1,0,1]=4 792 B4R1.2 [C@@H]1(C)CO1 YH36802 [1,0,0,1,0,0|0,0,2]=4 793 B6R1.2 CC1=CC=CC1 LQ4531 [0,1,0,1,0,0|1,0,1]=4 794 B6R1.2 CC1CCCC1 LL0238 [0,1,0,1,0,0|1,0,1]=4 795 B6R1.2 CC1CCCN1 XJ1351 [0,1,0,1,0,0|1,0,1]=4 796 B6R1.2 CC1CCCO1 YH65006 [0,1,0,1,0,0|1,0,1]=4 797 B6R1.2 CC1CCCS1 XJ1945 [0,1,0,1,0,0|1,0,1]=4 798 B6R1.2 CC1CCNC1 YH66261 [0,1,0,1,0,0|1,0,1]=4 799 B6R1.2 CC1N=CCS1 LT2114 [0,1,0,1,0,0|2,0,0]=4 800 B6R1.2 CC1SCCS1 JZ2801 [0,1,0,1,0,0|2,0,0]=4 801 B6R1.2 C[C@@H]1CCCN1 JZ0867 [0,1,0,1,0,0|1,0,1]=4 802 B6R1.2 C[C@H]1CCCN1 HL3677 [0,1,0,1,0,0|1,0,1]=4 803 B6R1.2 C[C@H]1CCNC1 YH66267 [0,1,0,1,0,0|1,0,1]=4 804 B6R1.2 ClC1C=CCC1 LL0239 [0,1,0,1,0,0|2,0,0]=4 805 B6R1.2 NC1CC=CC1 YH95418 [0,1,0,1,0,0|2,0,0]=4 806 B6R1.2 OC1CC=CC1 XJ4083 [0,1,0,1,0,0|2,0,0]=4 807 B6R1.3 C(=O)NC1CC1 RT15774 [0,1,0,1,0,0|0,0,0]=2 808 B6R1.3 ICCC1CC1 YH66394 [0,1,0,1,0,0|1,0,1]=4 809 B6R1.3 N#CCC1CC1 YH12245 [0,1,0,1,0,0|1,0,1]=4 810 B6R1.3 NOCC1CC1 YH17345 [0,1,0,1,0,0|0,0,2]=4 811 B6R1.5 C=C1CC(=O)O1 JZ0310 [0,1,0,1,0,0|0,0,2]=4 812 B6R1.5 CC1CC(=O)O1 HL2455 [0,1,0,1,0,0|0,0,0]=2 813 B6R1.8 CC1CC1CO JZ2852 [0,1,0,1,0,0|0,0,2]=4 814 B6R1.10 CC1(C)CNC1 YH93840 [0,1,0,1,0,0|1,0,1]=4 815 B6R1.10 CC1(N)COC1 YH91545 [0,1,0,1,0,0|0,0,2]=4 816 B6R1.11 CC(=O)C1CC1 LT4698 [0,1,0,1,0,0|0,0,0]=2 817 B6R1.11 CC(=O)C1CO1 YH01735 [0,1,0,1,0,0|1,0,0]=3 818 B6R1.11 CC(=O)N1CC1 RT15034 [0,1,0,1,0,0|1,0,0]=3 819 B6R1.11 C[C@H](N)C1CC1 LL2540 [0,1,0,1,0,0|1,0,1]=4 820 B6R1.11 N=C(N)C1CC1 XJ5811 [0,1,0,1,0,0|1,0,0]=3 821 B6R1.11 NC(=O)C1CC1 YH10544 [0,1,0,1,0,0|0,0,0]=2 822 B6R1.11 NC(=O)C1CO1 RT17350 [0,1,0,1,0,0|1,0,0]=3 823 B6R1.11 O=C(O)C1CO1 LX3011 [0,1,0,1,0,0|1,0,0]=3 824 B6R1.11 OB(O)C1CC1 YH00422 [0,1,0,1,0,0|1,0,1]=4 825 B6R1.4 O=C1CCC1Cl RT13553 [0,1,0,1,0,0|1,0,0]=3 826 B6R1.6 BrCC1CCC1 YH39750 [0,1,0,1,0,0|1,0,1]=4 827 B6R1.6 CNC1CNC1 YH49217 [0,1,0,1,0,0|1,0,1]=4 828 B6R1.6 N#CC1CCC1 XJ2664 [0,1,0,1,0,0|1,0,1]=4 829 B6R1.6 NCC1CCC1 JZ2551 [0,1,0,1,0,0|1,0,1]=4 830 B6R1.6 OCC1CCC1 LT4668 [0,1,0,1,0,0|0,0,2]=4 831 B6R1.7 C=CC1(C)CO1 HL2018 [0,1,0,1,0,0|1,0,0]=3 832 B6R1.7 N#CC1(N)CC1 LQ5540 [0,1,0,1,0,0|1,0,1]=4 833 B6R1.7 NC1(CO)CC1 LX2522 [0,1,0,1,0,0|0,0,2]=4 834 B6R1.7 NC1(CO)CC1 YH26091 [0,1,0,1,0,0|0,0,2]=4 835 B6R1.7 NCC1(O)CC1 YH16826 [0,1,0,1,0,0|1,0,1]=4