0 B4R0.1 C#CC(=C)C LL0127 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C#CC(=O)O LQ0858 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C#CC(=O)[O-] RT0385 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C#CC(C)O JZ2135 [0,0,0,0,0,0|1,0,3]=4 4 B4R0.1 C#CC(N)=O LQ3276 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 C#C[C@H](C)N RT3964 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 C(=O)N(C)C YH13617 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.1 C=C(Br)CC LQ4356 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 C=C(C)C#N RT1064 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.1 C=C(C)C=O RT1202 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.1 C=C(C)CC LQ1059 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.1 C=C(C)OC HL1466 [0,0,0,0,0,0|1,0,0]=1 12 B4R0.1 C=C(C)[Mg]Br JZ3721 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.1 C=C(Cl)C#N HL0543 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 C=C(N)NN LQ4301 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 C=C=C(C)C LQ1135 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.1 C=CC(=O)O LL0145 [0,0,0,0,0,0|2,0,1]=3 17 B4R0.1 C=CC(=O)O LQ4543 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.1 C=CC(C)Cl LQ1061 [0,0,0,0,0,0|2,0,2]=4 19 B4R0.1 C=C[N+](=O)[O-] XJ2515 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.1 CC(=O)CBr LQ1137 [0,0,0,0,0,0|2,0,0]=2 21 B4R0.1 CC(=O)CN LX3064 [0,0,0,0,0,0|2,0,0]=2 22 B4R0.1 CC(=O)NBr XJ0071 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.1 CC(=O)NN LQ1629 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 CC(Br)CBr LL0123 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.1 CC(Br)CCl XJ2375 [0,0,0,0,0,0|3,0,1]=4 26 B4R0.1 CC(C)CI HL1913 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.1 CC(C)CS HL1915 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 CC(C)NN LQ3967 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 CC(C)NO LT5054 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.1 CC(N)C#N LT6014 [0,0,0,0,0,0|3,0,1]=4 31 B4R0.1 CC(N)CN YH43801 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.1 CC(N)CO JZ1400 [0,0,0,0,0,0|3,0,1]=4 33 B4R0.1 CC(O)CF YH01374 [0,0,0,0,0,0|2,0,2]=4 34 B4R0.1 CCB(O)O XJ2684 [0,0,0,0,0,0|3,0,1]=4 35 B4R0.1 CCC(=O)Cl YH19012 [0,0,0,0,0,0|2,0,0]=2 36 B4R0.1 CCC(=O)[O-] HL1636 [0,0,0,0,0,0|2,0,0]=2 37 B4R0.1 CCC(=O)[O-] LQ1030 [0,0,0,0,0,0|2,0,0]=2 38 B4R0.1 CCC(C)I LT2185 [0,0,0,0,0,0|2,0,1]=3 39 B4R0.1 CC[C@@H](C)N JZ3698 [0,0,0,0,0,0|2,0,1]=3 40 B4R0.1 CN(C)N=O RT4837 [0,0,0,0,0,0|4,0,0]=4 41 B4R0.1 CNC(=S)[S-] LL0589 [0,0,0,0,0,0|2,1,0]=3 42 B4R0.1 CNC(=S)[S-] RT0569 [0,0,0,0,0,0|2,1,0]=3 43 B4R0.1 CNC(N)=S LQ1142 [0,0,0,0,0,0|2,1,0]=3 44 B4R0.1 COC(=N)N JZ2721 [0,0,0,0,0,0|2,0,0]=2 45 B4R0.1 COC(=O)Cl XJ0076 [0,0,0,0,0,0|1,0,0]=1 46 B4R0.1 COC(C)=N YH35544 [0,0,0,0,0,0|1,0,0]=1 47 B4R0.1 COC(C)C RT17590 [0,0,0,0,0,0|1,0,1]=2 48 B4R0.1 COC(Cl)Cl XJ2773 [0,0,0,0,0,0|2,0,1]=3 49 B4R0.1 COC(N)=O LQ1144 [0,0,0,0,0,0|1,0,0]=1 50 B4R0.1 COC(N)=[NH2+] LT5794 [0,0,0,0,0,0|2,0,0]=2 51 B4R0.1 COP(Cl)Cl XJ2430 [0,0,0,0,0,0|3,0,0]=3 52 B4R0.1 CSC(=N)N HL3579 [0,0,0,0,0,0|2,1,0]=3 53 B4R0.1 CSC(C)C LT4098 [0,0,0,0,0,0|1,1,1]=3 54 B4R0.1 CS[S+](C)C HL3015 [0,0,0,0,0,0|2,1,0]=3 55 B4R0.1 C[C@@H](N)CN YH65431 [0,0,0,0,0,0|3,0,1]=4 56 B4R0.1 C[C@@H](O)CN LT7643 [0,0,0,0,0,0|2,0,2]=4 57 B4R0.1 C[C@H](Cl)CO JZ5320 [0,0,0,0,0,0|3,0,1]=4 58 B4R0.1 C[C@H](Cl)CO XJ5311 [0,0,0,0,0,0|3,0,1]=4 59 B4R0.1 C[C@H](N)CO HL2372 [0,0,0,0,0,0|3,0,1]=4 60 B4R0.1 C[C@H](N)CO LT7580 [0,0,0,0,0,0|3,0,1]=4 61 B4R0.1 C[C@H](O)CCl JZ5302 [0,0,0,0,0,0|2,0,2]=4 62 B4R0.1 C\C=C(\C)Br JZ3724 [0,0,0,0,0,0|2,0,0]=2 63 B4R0.1 N=C(N)NN LT4835 [0,0,0,0,0,0|4,0,0]=4 64 B4R0.1 N=C(N)[NH2+]N LT4833 [0,0,0,0,0,0|4,0,0]=4 65 B4R0.1 N=C(O)CO LQ1140 [0,0,0,0,0,0|3,0,1]=4 66 B4R0.1 NC(=O)CCl RT4709 [0,0,0,0,0,0|3,0,0]=3 67 B4R0.1 NC(=O)NO RT4756 [0,0,0,0,0,0|3,0,0]=3 68 B4R0.1 NCC(=O)O JZ0518 [0,0,0,0,0,0|3,0,0]=3 69 B4R0.1 NCC(=O)O LQ3009 [0,0,0,0,0,0|3,0,0]=3 70 B4R0.1 NCC(=O)[O-] JZ1232 [0,0,0,0,0,0|3,0,0]=3 71 B4R0.1 NCC(=O)[O-] JZ1274 [0,0,0,0,0,0|3,0,0]=3 72 B4R0.1 NCC(=O)[O-] JZ1346 [0,0,0,0,0,0|3,0,0]=3 73 B4R0.1 NCC(=O)[O-] JZ1545 [0,0,0,0,0,0|3,0,0]=3 74 B4R0.1 NCC(=O)[O-] JZ1650 [0,0,0,0,0,0|3,0,0]=3 75 B4R0.1 NCC(N)=O HL0991 [0,0,0,0,0,0|3,0,0]=3 76 B4R0.1 NCC(N)=O LQ1139 [0,0,0,0,0,0|3,0,0]=3 77 B4R0.1 NN=C(N)N LQ1626 [0,0,0,0,0,0|4,0,0]=4 78 B4R0.1 NN=C(N)N LT4832 [0,0,0,0,0,0|4,0,0]=4 79 B4R0.1 NN=C(N)N XJ0073 [0,0,0,0,0,0|4,0,0]=4 80 B4R0.1 NNC(N)=O RT4773 [0,0,0,0,0,0|3,0,0]=3 81 B4R0.1 NNC(N)=S XJ0074 [0,0,0,0,0,0|3,1,0]=4 82 B4R0.1 O=C(O)CBr LL0143 [0,0,0,0,0,0|3,0,0]=3 83 B4R0.1 O=C(O)CF LT5771 [0,0,0,0,0,0|3,0,0]=3 84 B4R0.1 O=C([O-])CCl LQ2589 [0,0,0,0,0,0|3,0,0]=3 85 B4R0.1 O=C([O-])CO LQ2283 [0,0,0,0,0,0|3,0,0]=3 86 B4R0.1 O=C([O-])CO XJ5448 [0,0,0,0,0,0|3,0,0]=3 87 B4R0.1 O=C([O-])CS HL2967 [0,0,0,0,0,0|3,0,0]=3 88 B4R0.1 O=C([O-])CS LQ1436 [0,0,0,0,0,0|3,0,0]=3 89 B4R0.1 O=C([O-])CS XJ0675 [0,0,0,0,0,0|3,0,0]=3 90 B4R0.1 O=C([O-])CS XJ6033 [0,0,0,0,0,0|3,0,0]=3 91 B4R0.1 O=CC(=O)O LL0641 [0,0,0,0,0,0|3,0,0]=3 92 B4R0.1 O=CC(=O)O LQ1072 [0,0,0,0,0,0|3,0,0]=3 93 B4R0.1 O=[N+]([O-])CBr LQ1065 [0,0,0,0,0,0|4,0,0]=4 94 B4R0.1 O=[N+]([O-])CCl RT1188 [0,0,0,0,0,0|4,0,0]=4 95 B4R0.1 ON=C(Br)Br YH65574 [0,0,0,0,0,0|4,0,0]=4 96 B4R0.1 [13CH2]=[13CH][13C](N)=O RT0492 [0,0,0,0,0,0|2,0,1]=3 97 B4R0.1 [2H]OC(C)=O XJ1316 [0,0,0,0,0,0|1,0,0]=1 98 B4R0.1 [C@@H](C)(O)CO LQ2624 [0,0,0,0,0,0|2,0,2]=4 99 B3R0.1 C#CC=O YH10644 [1,0,0,0,0,0|1,0,1]=3 100 B3R0.1 C=C=CC HL0077 [1,0,0,0,0,0|1,0,1]=3 101 B3R0.1 C=CC=C HL1335 [1,0,0,0,0,0|1,0,2]=4 102 B3R0.1 C=CC=C XJ3466 [1,0,0,0,0,0|1,0,2]=4 103 B3R0.1 C=CC=O RT0993 [1,0,0,0,0,0|1,0,1]=3 104 B3R0.1 C=CCBr RT17399 [1,0,0,0,0,0|2,0,1]=4 105 B3R0.1 C=CCC HL1334 [1,0,0,0,0,0|1,0,1]=3 106 B3R0.1 C=CCI LQ1006 [1,0,0,0,0,0|2,0,1]=4 107 B3R0.1 C=CCN XJ6235 [1,0,0,0,0,0|2,0,1]=4 108 B3R0.1 C=CCO LT3384 [1,0,0,0,0,0|2,0,1]=4 109 B3R0.1 C=CCS LT3385 [1,0,0,0,0,0|2,0,1]=4 110 B3R0.1 C=C[Mg]Cl JZ2315 [1,0,0,0,0,0|2,0,1]=4 111 B3R0.1 CCC=S LT2311 [1,0,0,0,0,0|1,1,0]=3 112 B3R0.1 CCCCl XJ0925 [1,0,0,0,0,0|2,0,1]=4 113 B3R0.1 CCON LT7287 [1,0,0,0,0,0|1,0,1]=3 114 B3R0.1 CCSC XJ1178 [1,0,0,0,0,0|0,1,1]=3 115 B3R0.1 CN=C=O XJ1176 [1,0,0,0,0,0|1,0,1]=3 116 B3R0.1 CNOC LT1363 [1,0,0,0,0,0|1,0,0]=2 117 B3R0.1 COCCl RT17912 [1,0,0,0,0,0|1,0,1]=3 118 B3R0.1 CSC#N LQ1008 [1,0,0,0,0,0|1,1,1]=4 119 B3R0.1 CSCCl LQ2158 [1,0,0,0,0,0|1,1,1]=4 120 B3R0.1 C\C=N\O LT3638 [1,0,0,0,0,0|2,0,0]=3 121 B3R0.1 Cl\C=C\Cl LQ0647 [1,0,0,0,0,0|3,0,0]=4 122 B3R0.1 NNC=O XJ1177 [1,0,0,0,0,0|2,0,0]=3 123 B3R0.1 [2H]OCC RT1050 [1,0,0,0,0,0|1,0,1]=3 124 B3R0.1 [Li]CCC LQ1980 [1,0,0,0,0,0|2,0,1]=4 125 B3R0.2 C=C(C)C HL1444 [1,0,0,0,0,0|1,0,0]=2 126 B3R0.2 C=C(C)Cl LQ1041 [1,0,0,0,0,0|1,0,1]=3 127 B3R0.2 C=C(Cl)Cl LQ0092 [1,0,0,0,0,0|2,0,1]=4 128 B3R0.2 C=C(F)F LQ4457 [1,0,0,0,0,0|2,0,1]=4 129 B3R0.2 C=[N+](C)C LQ4806 [1,0,0,0,0,0|2,0,0]=3 130 B3R0.2 CB(C)Br LQ2820 [1,0,0,0,0,0|2,0,0]=3 131 B3R0.2 CC(=N)N RT17426 [1,0,0,0,0,0|2,0,0]=3 132 B3R0.2 CC(=O)F LQ1042 [1,0,0,0,0,0|1,0,0]=2 133 B3R0.2 CC(=O)O JZ3704 [1,0,0,0,0,0|0,0,0]=1 134 B3R0.2 CC(=O)O XJ0034 [1,0,0,0,0,0|0,0,0]=1 135 B3R0.2 CC(=O)[O-] HL0535 [1,0,0,0,0,0|0,0,1]=2 136 B3R0.2 CC(=O)[O-] HL1089 [1,0,0,0,0,0|0,0,1]=2 137 B3R0.2 CC(=O)[O-] HL1536 [1,0,0,0,0,0|0,0,1]=2 138 B3R0.2 CC(=O)[O-] HL1556 [1,0,0,0,0,0|0,0,1]=2 139 B3R0.2 CC(=O)[O-] HL1980 [1,0,0,0,0,0|0,0,1]=2 140 B3R0.2 CC(=O)[O-] JZ2733 [1,0,0,0,0,0|0,0,1]=2 141 B3R0.2 CC(=O)[O-] JZ3035 [1,0,0,0,0,0|0,0,1]=2 142 B3R0.2 CC(=O)[O-] JZ4063 [1,0,0,0,0,0|0,0,1]=2 143 B3R0.2 CC(=O)[O-] JZ4064 [1,0,0,0,0,0|0,0,1]=2 144 B3R0.2 CC(=O)[O-] JZ5083 [1,0,0,0,0,0|0,0,1]=2 145 B3R0.2 CC(=O)[O-] JZ5622 [1,0,0,0,0,0|0,0,1]=2 146 B3R0.2 CC(=O)[O-] LL2757 [1,0,0,0,0,0|0,0,1]=2 147 B3R0.2 CC(=O)[O-] LQ1063 [1,0,0,0,0,0|0,0,1]=2 148 B3R0.2 CC(=O)[O-] LQ1064 [1,0,0,0,0,0|0,0,1]=2 149 B3R0.2 CC(=O)[O-] LQ1143 [1,0,0,0,0,0|0,0,1]=2 150 B3R0.2 CC(=O)[O-] LQ1294 [1,0,0,0,0,0|0,0,1]=2 151 B3R0.2 CC(=O)[O-] LQ1601 [1,0,0,0,0,0|0,0,1]=2 152 B3R0.2 CC(=O)[O-] LQ2985 [1,0,0,0,0,0|0,0,1]=2 153 B3R0.2 CC(=O)[O-] LQ3945 [1,0,0,0,0,0|0,0,1]=2 154 B3R0.2 CC(=O)[O-] LQ4020 [1,0,0,0,0,0|0,0,1]=2 155 B3R0.2 CC(=O)[O-] LQ5168 [1,0,0,0,0,0|0,0,1]=2 156 B3R0.2 CC(=O)[O-] LT7507 [1,0,0,0,0,0|0,0,1]=2 157 B3R0.2 CC(=O)[O-] LT7843 [1,0,0,0,0,0|0,0,1]=2 158 B3R0.2 CC(=O)[O-] XJ0536 [1,0,0,0,0,0|0,0,1]=2 159 B3R0.2 CC(=O)[O-] XJ0713 [1,0,0,0,0,0|0,0,1]=2 160 B3R0.2 CC(=O)[O-] XJ0970 [1,0,0,0,0,0|0,0,1]=2 161 B3R0.2 CC(=O)[O-] XJ2980 [1,0,0,0,0,0|0,0,1]=2 162 B3R0.2 CC(=O)[O-] YH65813 [1,0,0,0,0,0|0,0,1]=2 163 B3R0.2 CC(C)I LQ0090 [1,0,0,0,0,0|1,0,1]=3 164 B3R0.2 CC(C)S LQ0091 [1,0,0,0,0,0|0,1,1]=3 165 B3R0.2 CC(C)[O-] JZ4937 [1,0,0,0,0,0|0,0,2]=3 166 B3R0.2 CC(C)[O-] JZ5329 [1,0,0,0,0,0|0,0,2]=3 167 B3R0.2 CC(C)[O-] JZ5330 [1,0,0,0,0,0|0,0,2]=3 168 B3R0.2 CC(C)[O-] JZ5591 [1,0,0,0,0,0|0,0,2]=3 169 B3R0.2 CC(C)[O-] LL1978 [1,0,0,0,0,0|0,0,2]=3 170 B3R0.2 CC(C)[O-] LQ3154 [1,0,0,0,0,0|0,0,2]=3 171 B3R0.2 CC(C)[O-] LQ3155 [1,0,0,0,0,0|0,0,2]=3 172 B3R0.2 CC(C)[O-] LQ3188 [1,0,0,0,0,0|0,0,2]=3 173 B3R0.2 CC(C)[O-] LQ4092 [1,0,0,0,0,0|0,0,2]=3 174 B3R0.2 CC(C)[O-] XJ2702 [1,0,0,0,0,0|0,0,2]=3 175 B3R0.2 CC(C)[O-] XJ6011 [1,0,0,0,0,0|0,0,2]=3 176 B3R0.2 CC(Cl)Br LQ1089 [1,0,0,0,0,0|2,0,1]=4 177 B3R0.2 CC(Cl)Cl HL0746 [1,0,0,0,0,0|2,0,1]=4 178 B3R0.2 CC(Cl)Cl RT17620 [1,0,0,0,0,0|2,0,1]=4 179 B3R0.2 CC(F)F LQ0094 [1,0,0,0,0,0|2,0,1]=4 180 B3R0.2 CN(C)C JZ2219 [1,0,0,0,0,0|2,0,0]=3 181 B3R0.2 CP(C)C LL1775 [1,0,0,0,0,0|2,0,0]=3 182 B3R0.2 CS(C)=O XJ0069 [1,0,0,0,0,0|1,0,0]=2 183 B3R0.2 C[As](C)I RT5919 [1,0,0,0,0,0|2,0,0]=3 184 B3R0.2 C[As](I)I RT16135 [1,0,0,0,0,0|3,0,0]=4 185 B3R0.2 C[S+](C)C HL2475 [1,0,0,0,0,0|2,0,0]=3 186 B3R0.2 C[S+](C)C JZ1912 [1,0,0,0,0,0|2,0,0]=3 187 B3R0.2 C[SiH](C)C XJ1513 [1,0,0,0,0,0|1,1,0]=3 188 B3R0.2 C[Sn](C)=O HL2174 [1,0,0,0,0,0|1,0,0]=2 189 B3R0.2 N=C(N)N LQ1088 [1,0,0,0,0,0|3,0,0]=4 190 B3R0.2 N=C(N)N LT7842 [1,0,0,0,0,0|3,0,0]=4 191 B3R0.2 N=C(N)N RT4888 [1,0,0,0,0,0|3,0,0]=4 192 B3R0.2 N=C(N)N RT4904 [1,0,0,0,0,0|3,0,0]=4 193 B3R0.2 N=C(N)N XJ6746 [1,0,0,0,0,0|3,0,0]=4 194 B3R0.2 NC(=S)[S-] HL1919 [1,0,0,0,0,0|1,2,0]=4 195 B3R0.2 NC(N)=S XJ0020 [1,0,0,0,0,0|2,1,0]=4 196 B3R0.2 N[13C](=O)N RT0355 [1,0,0,0,0,0|2,0,0]=3 197 B3R0.2 O=C([O-])[O-] JZ2955 [1,0,0,0,0,0|1,0,1]=3 198 B3R0.2 O=C([O-])[O-] JZ4994 [1,0,0,0,0,0|1,0,1]=3 199 B3R0.2 O=C([O-])[O-] LL1580 [1,0,0,0,0,0|1,0,1]=3 200 B3R0.2 O=C([O-])[O-] LQ1146 [1,0,0,0,0,0|1,0,1]=3 201 B3R0.2 O=C([O-])[O-] LQ2984 [1,0,0,0,0,0|1,0,1]=3 202 B3R0.2 O=C([O-])[O-] LQ4935 [1,0,0,0,0,0|1,0,1]=3 203 B3R0.2 O=C([O-])[O-] LQ4937 [1,0,0,0,0,0|1,0,1]=3 204 B3R0.2 O=C([O-])[O-] XJ3004 [1,0,0,0,0,0|1,0,1]=3 205 B3R0.2 O=C([O-])[O-] XJ3140 [1,0,0,0,0,0|1,0,1]=3 206 B3R0.2 O=C([O-])[O-] XJ3897 [1,0,0,0,0,0|1,0,1]=3 207 B3R0.2 O=C([O-])[O-] XJ4823 [1,0,0,0,0,0|1,0,1]=3 208 B3R0.2 O=C([O-])[O-] XJ5330 [1,0,0,0,0,0|1,0,1]=3 209 B3R0.2 O=C([O-])[O-] XJ5339 [1,0,0,0,0,0|1,0,1]=3 210 B3R0.2 O=C([O-])[O-] XJ6154 [1,0,0,0,0,0|1,0,1]=3 211 B3R0.2 O=C([O-])[O-] YH06400 [1,0,0,0,0,0|1,0,1]=3 212 B3R0.2 O=P(=O)[O-] YH14063 [1,0,0,0,0,0|2,0,1]=4 213 B3R0.2 O=[N+]([O-])[O-] RT17385 [1,0,0,0,0,0|2,0,1]=4 214 B3R0.2 O=[N+]([O-])[O-] YH20922 [1,0,0,0,0,0|2,0,1]=4 215 B3R0.2 O=[N+]([O-])[O-] YH32596 [1,0,0,0,0,0|2,0,1]=4 216 B3R0.2 O=[N+]([O-])[O-] YH42140 [1,0,0,0,0,0|2,0,1]=4 217 B3R0.2 O=[Te]([O-])[O-] RT18552 [1,0,0,0,0,0|2,0,1]=4 218 B3R0.2 O=[Zr](Cl)Cl YH18071 [1,0,0,0,0,0|3,0,0]=4 219 B3R0.2 S=C(Cl)Cl RT1087 [1,0,0,0,0,0|2,1,0]=4 220 B3R0.2 [13CH3][13C](N)=O RT4752 [1,0,0,0,0,0|1,0,0]=2 221 B5R0.1 C(Cl)CC(=O)O CJ2142 [0,1,0,0,0,0|2,0,0]=3 222 B5R0.1 C=C(C)OCC LT1730 [0,1,0,0,0,0|1,0,0]=2 223 B5R0.1 C=CCC(N)=O RT17513 [0,1,0,0,0,0|2,0,1]=4 224 B5R0.1 C=COC(C)=O LQ0375 [0,1,0,0,0,0|0,0,1]=2 225 B5R0.1 C=COC(C)=O LQ4456 [0,1,0,0,0,0|0,0,1]=2 226 B5R0.1 C=COC(C)=O XJ3468 [0,1,0,0,0,0|0,0,1]=2 227 B5R0.1 C=COC(N)=O RT4835 [0,1,0,0,0,0|1,0,1]=3 228 B5R0.1 CC#C[C@H](C)O HL4870 [0,1,0,0,0,0|1,0,2]=4 229 B5R0.1 CC(=O)CC#N HL2246 [0,1,0,0,0,0|1,0,1]=3 230 B5R0.1 CC(=O)CC=O XJ1186 [0,1,0,0,0,0|1,0,1]=3 231 B5R0.1 CC(=O)CCS XJ5155 [0,1,0,0,0,0|1,0,0]=2 232 B5R0.1 CC(=O)\C=N\O LT6064 [0,1,0,0,0,0|2,0,0]=3 233 B5R0.1 CC(Br)CCBr HL1367 [0,1,0,0,0,0|2,0,1]=4 234 B5R0.1 CC(C)=CCBr YH91045 [0,1,0,0,0,0|2,0,0]=3 235 B5R0.1 CC(C)=CCN YH33589 [0,1,0,0,0,0|2,0,0]=3 236 B5R0.1 CC(C)=CCO LT3091 [0,1,0,0,0,0|2,0,0]=3 237 B5R0.1 CC(C)CCCl HL1371 [0,1,0,0,0,0|2,0,1]=4 238 B5R0.1 CC(C)CCI XJ0935 [0,1,0,0,0,0|2,0,1]=4 239 B5R0.1 CC(C)OC=O XJ1196 [0,1,0,0,0,0|1,0,2]=4 240 B5R0.1 CCCC(=O)[O-] XJ2982 [0,1,0,0,0,0|2,0,0]=3 241 B5R0.1 CCCC(C)C HL1370 [0,1,0,0,0,0|2,0,1]=4 242 B5R0.1 CCCC(C)C HL4500 [0,1,0,0,0,0|2,0,1]=4 243 B5R0.1 CCCC(N)=O XJ0937 [0,1,0,0,0,0|2,0,0]=3 244 B5R0.1 CCCC(N)=[NH2+] LX2780 [0,1,0,0,0,0|3,0,0]=4 245 B5R0.1 CCC[C@H](C)O LQ4668 [0,1,0,0,0,0|1,0,2]=4 246 B5R0.1 CCC[N+](=O)[O-] JZ5682 [0,1,0,0,0,0|3,0,0]=4 247 B5R0.1 CCC[N+](=O)[O-] LQ0374 [0,1,0,0,0,0|3,0,0]=4 248 B5R0.1 CCNC(C)=O XJ1192 [0,1,0,0,0,0|1,0,0]=2 249 B5R0.1 CCNC(N)=O XJ1194 [0,1,0,0,0,0|2,0,0]=3 250 B5R0.1 CCNC(N)=O XJ3539 [0,1,0,0,0,0|2,0,0]=3 251 B5R0.1 CCNC(N)=S XJ1195 [0,1,0,0,0,0|2,1,0]=4 252 B5R0.1 CCOC(=O)Cl XJ0938 [0,1,0,0,0,0|1,0,0]=2 253 B5R0.1 CCOC(=O)O XJ1147 [0,1,0,0,0,0|1,0,0]=2 254 B5R0.1 CCOC(=S)[S-] XJ0564 [0,1,0,0,0,0|1,1,0]=3 255 B5R0.1 CCOC(N)=O RT0197 [0,1,0,0,0,0|1,0,0]=2 256 B5R0.1 CCO[Si](=O)O JZ3510 [0,1,0,0,0,0|1,1,0]=3 257 B5R0.1 CCSC(=N)N RT19776 [0,1,0,0,0,0|2,1,0]=4 258 B5R0.1 CCSC(C)=O HL4138 [0,1,0,0,0,0|0,1,0]=2 259 B5R0.1 CCSC(C)=O XJ1197 [0,1,0,0,0,0|0,1,0]=2 260 B5R0.1 CC[NH2+]C(=N)N LQ2498 [0,1,0,0,0,0|3,0,0]=4 261 B5R0.1 CN(C)CCCl HL2802 [0,1,0,0,0,0|3,0,0]=4 262 B5R0.1 CN(C)CCN HL1382 [0,1,0,0,0,0|3,0,0]=4 263 B5R0.1 CN(C)CCO HL1383 [0,1,0,0,0,0|3,0,0]=4 264 B5R0.1 CN(C)CCS LT4952 [0,1,0,0,0,0|3,0,0]=4 265 B5R0.1 CNCC(=O)O JZ4055 [0,1,0,0,0,0|2,0,0]=3 266 B5R0.1 CNCC(=O)O RT0428 [0,1,0,0,0,0|2,0,0]=3 267 B5R0.1 CNCC(=O)[O-] JZ1762 [0,1,0,0,0,0|2,0,0]=3 268 B5R0.1 COCC(C)=O LT7464 [0,1,0,0,0,0|0,0,0]=1 269 B5R0.1 COCC(C)N XJ5266 [0,1,0,0,0,0|1,0,1]=3 270 B5R0.1 COC[C@H](C)N XJ6713 [0,1,0,0,0,0|1,0,1]=3 271 B5R0.1 CSCC(=N)N YH65419 [0,1,0,0,0,0|2,1,0]=4 272 B5R0.1 CSCC(=O)O XJ2185 [0,1,0,0,0,0|1,1,0]=3 273 B5R0.1 C[C@@H](N)CCO RT0497 [0,1,0,0,0,0|2,0,1]=4 274 B5R0.1 C[C@@H](O)CCO SY0267 [0,1,0,0,0,0|1,0,2]=4 275 B5R0.1 C\C(Cl)=C\CCl LQ1508 [0,1,0,0,0,0|2,0,0]=3 276 B5R0.1 C\C(Cl)=C\CO RT17544 [0,1,0,0,0,0|2,0,0]=3 277 B5R0.1 C\C(I)=C/CO RT17534 [0,1,0,0,0,0|2,0,0]=3 278 B5R0.1 C\C(N)=C\C#N XJ1575 [0,1,0,0,0,0|2,0,1]=4 279 B5R0.1 C\C=C\C(=O)Cl XJ1187 [0,1,0,0,0,0|2,0,0]=3 280 B5R0.1 C\C=C\C(=O)O HL1378 [0,1,0,0,0,0|2,0,0]=3 281 B5R0.1 C\C=C\C(N)=O RT17596 [0,1,0,0,0,0|2,0,0]=3 282 B5R0.1 NC(=O)CCO RT17509 [0,1,0,0,0,0|2,0,0]=3 283 B5R0.1 NC(=O)NC=O JZ4445 [0,1,0,0,0,0|2,0,1]=4 284 B5R0.1 NC(=O)NCO HL0559 [0,1,0,0,0,0|2,0,0]=3 285 B5R0.1 NCCC(=O)O JZ0318 [0,1,0,0,0,0|2,0,0]=3 286 B5R0.1 NOCC(=O)O RT0527 [0,1,0,0,0,0|2,0,0]=3 287 B5R0.1 O=C(Cl)CCCl JZ0826 [0,1,0,0,0,0|2,0,0]=3 288 B5R0.1 O=C(Cl)OCCl JZ5514 [0,1,0,0,0,0|1,0,0]=2 289 B5R0.1 O=C(O)CCBr HL0088 [0,1,0,0,0,0|2,0,0]=3 290 B5R0.1 O=C(O)CCS SY0092 [0,1,0,0,0,0|2,0,0]=3 291 B5R0.1 O=C([O-])CCO RT1268 [0,1,0,0,0,0|2,0,0]=3 292 B5R0.3 C#CC(=O)OC LT7442 [0,1,0,0,0,0|0,0,1]=2 293 B5R0.3 C=C(CC)CC XJ1324 [0,1,0,0,0,0|2,0,0]=3 294 B5R0.3 C=CC(=O)OC SY0292 [0,1,0,0,0,0|0,0,1]=2 295 B5R0.3 C=CC(C)CC XJ1323 [0,1,0,0,0,0|2,0,1]=4 296 B5R0.3 CCC(=O)NC JZ4434 [0,1,0,0,0,0|1,0,0]=2 297 B5R0.3 CCC(Br)CC XJ1961 [0,1,0,0,0,0|2,0,1]=4 298 B5R0.3 CCC(C)C=O LL0224 [0,1,0,0,0,0|1,0,1]=3 299 B5R0.3 CCC(C)CBr LQ2987 [0,1,0,0,0,0|2,0,1]=4 300 B5R0.3 CCC(C)CBr LQ3410 [0,1,0,0,0,0|2,0,1]=4 301 B5R0.3 CCC(C)CC LL0223 [0,1,0,0,0,0|2,0,1]=4 302 B5R0.3 CCC(C)CCl LQ1182 [0,1,0,0,0,0|2,0,1]=4 303 B5R0.3 CCC(C)CO LL0587 [0,1,0,0,0,0|1,0,2]=4 304 B5R0.3 CCC(C)NC LQ3344 [0,1,0,0,0,0|2,0,1]=4 305 B5R0.3 CCC(Cl)CCl LQ1184 [0,1,0,0,0,0|2,0,1]=4 306 B5R0.3 CCC(N)CC LQ1186 [0,1,0,0,0,0|2,0,1]=4 307 B5R0.3 CCC(N)CO LL0227 [0,1,0,0,0,0|2,0,1]=4 308 B5R0.3 CCC(S)CS XJ4247 [0,1,0,0,0,0|1,1,1]=4 309 B5R0.3 CCN(C)CC LQ1190 [0,1,0,0,0,0|3,0,0]=4 310 B5R0.3 CCN(C)N=O RT17894 [0,1,0,0,0,0|2,0,0]=3 311 B5R0.3 CCN(O)CC HL2577 [0,1,0,0,0,0|2,0,1]=4 312 B5R0.3 CC[C@@H](C)CO LQ1183 [0,1,0,0,0,0|1,0,2]=4 313 B5R0.3 CC[C@@H](O)CO LQ5013 [0,1,0,0,0,0|1,0,2]=4 314 B5R0.3 CC[C@H](C)CBr LL0949 [0,1,0,0,0,0|2,0,1]=4 315 B5R0.3 CC[C@H](O)CO HL4502 [0,1,0,0,0,0|1,0,2]=4 316 B5R0.3 CC\C(C)=N\O LL0233 [0,1,0,0,0,0|1,0,1]=3 317 B5R0.3 COC(=O)C=O LQ1491 [0,1,0,0,0,0|0,0,1]=2 318 B5R0.3 COC(=O)CN RT5049 [0,1,0,0,0,0|0,0,0]=1 319 B5R0.3 COC(=O)OC LQ1189 [0,1,0,0,0,0|0,0,0]=1 320 B5R0.3 CS\C(C)=N/O RT1099 [0,1,0,0,0,0|0,1,1]=3 321 B5R0.3 C\C(=C/Br)CBr RT0636 [0,1,0,0,0,0|3,0,0]=4 322 B5R0.3 C\C(=C/Br)CO RT0550 [0,1,0,0,0,0|2,0,1]=4 323 B5R0.3 C\C=C(/C)C=O XJ0816 [0,1,0,0,0,0|1,0,0]=2 324 B5R0.3 Cl\C=C(/Cl)CCl LL0226 [0,1,0,0,0,0|3,0,0]=4 325 B5R0.3 O=C(CBr)CBr LQ1454 [0,1,0,0,0,0|2,0,0]=3 326 B5R0.3 O=C(CF)CF CJ2432 [0,1,0,0,0,0|2,0,0]=3 327 B5R0.3 O=C(CI)CI RT0766 [0,1,0,0,0,0|2,0,0]=3 328 B5R0.3 O=C(CO)CO LL1029 [0,1,0,0,0,0|2,0,0]=3 329 B5R0.4 CC(C)(C)OCl RT17559 [0,1,0,0,0,0|2,0,1]=4 330 B5R0.4 CCC(C)(C)Cl LQ1095 [0,1,0,0,0,0|2,0,1]=4 331 B5R0.4 CCC(C)(C)N LQ1096 [0,1,0,0,0,0|2,0,1]=4 332 B5R0.4 CCC(C)(C)[O-] LL2022 [0,1,0,0,0,0|1,0,2]=4 333 B5R0.4 CCC(C)(Cl)Cl LQ2644 [0,1,0,0,0,0|2,0,1]=4 334 B5R0.4 CCP(=O)(Cl)Cl LQ1608 [0,1,0,0,0,0|3,0,0]=4 335 B5R0.4 CCP(=O)([O-])[O-] LT5219 [0,1,0,0,0,0|3,0,0]=4 336 B5R0.4 CCS(=O)(=O)O LQ1100 [0,1,0,0,0,0|3,0,0]=4 337 B5R0.4 CCS(=O)(=O)[O-] JZ2711 [0,1,0,0,0,0|3,0,0]=4 338 B5R0.4 CCS(C)(=O)=O LQ1098 [0,1,0,0,0,0|2,0,0]=3 339 B5R0.4 CCS(N)(=O)=O LQ1828 [0,1,0,0,0,0|3,0,0]=4 340 B5R0.4 CNS(=O)(=O)Cl YH22586 [0,1,0,0,0,0|3,0,0]=4 341 B5R0.4 CNS(C)(=O)=O JZ4425 [0,1,0,0,0,0|2,0,0]=3 342 B5R0.4 CS(=O)(=O)C#N RT1363 [0,1,0,0,0,0|3,0,0]=4 343 B5R0.4 CS(=O)(=O)O[Ag] JZ1955 [0,1,0,0,0,0|2,0,0]=3 344 B5R0.4 CSC(C)(C)C XJ3040 [0,1,0,0,0,0|1,1,1]=4 345 B5R0.4 [2H]OC(C)(C)C RT17778 [0,1,0,0,0,0|2,0,1]=4 346 B5R0.5 C=C(Br)C(=O)O LQ3418 [0,1,0,0,0,0|2,0,1]=4 347 B5R0.5 C=C(C)C(=O)Cl HL0545 [0,1,0,0,0,0|2,0,0]=3 348 B5R0.5 C=C(C)C(=O)O XJ0087 [0,1,0,0,0,0|2,0,0]=3 349 B5R0.5 C=C(C)C(=O)[O-] LQ1630 [0,1,0,0,0,0|2,0,0]=3 350 B5R0.5 C=C(C)C(C)=O LQ1438 [0,1,0,0,0,0|1,0,0]=2 351 B5R0.5 C=C(C)C(C)C LQ1068 [0,1,0,0,0,0|2,0,0]=3 352 B5R0.5 C=C(F)C(=O)O YH01395 [0,1,0,0,0,0|2,0,1]=4 353 B5R0.5 CC(=O)C(=O)[O-] JZ2145 [0,1,0,0,0,0|2,0,0]=3 354 B5R0.5 CC(=O)C(=O)[O-] LQ4156 [0,1,0,0,0,0|2,0,0]=3 355 B5R0.5 CC(=O)C(=O)[O-] RT0509 [0,1,0,0,0,0|2,0,0]=3 356 B5R0.5 CC(=O)C(C)=O RT1203 [0,1,0,0,0,0|1,0,0]=2 357 B5R0.5 CC(=O)C(C)Br LQ1437 [0,1,0,0,0,0|1,0,0]=2 358 B5R0.5 CC(=O)C(C)S LT2609 [0,1,0,0,0,0|1,0,0]=2 359 B5R0.5 CC(=O)C(Cl)Cl HL1927 [0,1,0,0,0,0|2,0,0]=3 360 B5R0.5 CC(=O)N(C)C LT7398 [0,1,0,0,0,0|1,0,0]=2 361 B5R0.5 CC(=S)N(C)C LQ1296 [0,1,0,0,0,0|1,1,0]=3 362 B5R0.5 CC(Br)C(=O)O LQ1147 [0,1,0,0,0,0|2,0,0]=3 363 B5R0.5 CC(C)=C(C)C LQ1069 [0,1,0,0,0,0|2,0,0]=3 364 B5R0.5 CC(C)C(=O)[O-] JZ5651 [0,1,0,0,0,0|2,0,0]=3 365 B5R0.5 CC(C)C(=O)[O-] YH98974 [0,1,0,0,0,0|2,0,0]=3 366 B5R0.5 CC(C)C(C)C XJ0079 [0,1,0,0,0,0|2,0,1]=4 367 B5R0.5 CC(C)C(C)N LQ1148 [0,1,0,0,0,0|2,0,1]=4 368 B5R0.5 CC(C)C(C)O LQ1149 [0,1,0,0,0,0|1,0,2]=4 369 B5R0.5 CC(C)C(C)S HL2141 [0,1,0,0,0,0|1,1,1]=4 370 B5R0.5 CC(C)C(N)=O LQ1071 [0,1,0,0,0,0|2,0,0]=3 371 B5R0.5 CC(C)N(=O)=O XJ0090 [0,1,0,0,0,0|3,0,0]=4 372 B5R0.5 CC(O)C(=O)[O-] HL1943 [0,1,0,0,0,0|2,0,0]=3 373 B5R0.5 CC(O)C(=O)[O-] LT7892 [0,1,0,0,0,0|2,0,0]=3 374 B5R0.5 CC(O)C(=O)[O-] XJ1528 [0,1,0,0,0,0|2,0,0]=3 375 B5R0.5 CC(O)C(C)O HL1925 [0,1,0,0,0,0|1,0,2]=4 376 B5R0.5 CC(O)C(C)O HL3363 [0,1,0,0,0,0|1,0,2]=4 377 B5R0.5 CC(O)C(C)S LT3134 [0,1,0,0,0,0|1,0,2]=4 378 B5R0.5 CC(S)C(C)S HL2771 [0,1,0,0,0,0|1,1,1]=4 379 B5R0.5 CN(C)C(=O)Cl LT7881 [0,1,0,0,0,0|2,0,0]=3 380 B5R0.5 CN(C)C(=S)Cl LT7773 [0,1,0,0,0,0|2,1,0]=4 381 B5R0.5 CN(C)C(=S)[S-] LQ0527 [0,1,0,0,0,0|2,1,0]=4 382 B5R0.5 CN(C)C(=S)[S-] LQ3837 [0,1,0,0,0,0|2,1,0]=4 383 B5R0.5 CN(N)C(N)=S JZ3053 [0,1,0,0,0,0|2,1,0]=4 384 B5R0.5 CN(O)C(N)=O RT18824 [0,1,0,0,0,0|2,0,0]=3 385 B5R0.5 C[C@@H](Cl)C(=O)O XJ3332 [0,1,0,0,0,0|2,0,0]=3 386 B5R0.5 C[C@H](N)C(=O)O JZ0471 [0,1,0,0,0,0|2,0,0]=3 387 B5R0.5 C[C@H](N)C(N)=O LQ3255 [0,1,0,0,0,0|2,0,0]=3 388 B5R0.5 C[C@H](N)C(N)=O RT5023 [0,1,0,0,0,0|2,0,0]=3 389 B5R0.5 C[C@H](O)C(=O)O XJ1388 [0,1,0,0,0,0|2,0,0]=3 390 B5R0.5 C[C@H](O)C(=O)[O-] HL4794 [0,1,0,0,0,0|2,0,0]=3 391 B5R0.5 C[C@H](O)[C@H](C)O JZ5301 [0,1,0,0,0,0|1,0,2]=4 392 B5R0.5 NC(=O)C(=O)[O-] LL0996 [0,1,0,0,0,0|3,0,0]=4 393 B5R0.5 NC(=O)C(N)=O LQ0860 [0,1,0,0,0,0|3,0,0]=4 394 B5R0.5 O=C(Cl)C(=O)Cl LT7271 [0,1,0,0,0,0|3,0,0]=4 395 B5R0.5 O=C(O)C(=O)O HL1923 [0,1,0,0,0,0|3,0,0]=4 396 B5R0.5 O=C(O)C(=O)O RT0368 [0,1,0,0,0,0|3,0,0]=4 397 B5R0.5 O=C(O)C(Br)I RT0702 [0,1,0,0,0,0|3,0,0]=4 398 B5R0.5 O=C(O)C(Cl)Br JZ2788 [0,1,0,0,0,0|3,0,0]=4 399 B5R0.5 O=C(O)C(Cl)Cl LT7767 [0,1,0,0,0,0|3,0,0]=4 400 B5R0.5 O=C(O)C(Cl)I RT0646 [0,1,0,0,0,0|3,0,0]=4 401 B5R0.5 O=C(O)C(I)I RT0771 [0,1,0,0,0,0|3,0,0]=4 402 B5R0.5 O=C([O-])C(=O)O LQ0525 [0,1,0,0,0,0|3,0,0]=4 403 B5R0.5 O=C([O-])C(=O)[O-] HL1988 [0,1,0,0,0,0|3,0,0]=4 404 B5R0.5 O=C([O-])C(=O)[O-] HL1989 [0,1,0,0,0,0|3,0,0]=4 405 B5R0.5 O=C([O-])C(=O)[O-] HL3013 [0,1,0,0,0,0|3,0,0]=4 406 B5R0.5 O=C([O-])C(=O)[O-] JZ2184 [0,1,0,0,0,0|3,0,0]=4 407 B5R0.5 O=C([O-])C(=O)[O-] JZ2815 [0,1,0,0,0,0|3,0,0]=4 408 B5R0.5 O=C([O-])C(=O)[O-] JZ2832 [0,1,0,0,0,0|3,0,0]=4 409 B5R0.5 O=C([O-])C(=O)[O-] JZ2876 [0,1,0,0,0,0|3,0,0]=4 410 B5R0.5 O=C([O-])C(=O)[O-] JZ3710 [0,1,0,0,0,0|3,0,0]=4 411 B5R0.5 O=C([O-])C(=O)[O-] JZ4074 [0,1,0,0,0,0|3,0,0]=4 412 B5R0.5 O=C([O-])C(=O)[O-] LQ1067 [0,1,0,0,0,0|3,0,0]=4 413 B5R0.5 O=C([O-])C(=O)[O-] LQ1440 [0,1,0,0,0,0|3,0,0]=4 414 B5R0.5 O=C([O-])C(=O)[O-] LQ1441 [0,1,0,0,0,0|3,0,0]=4 415 B5R0.5 O=C([O-])C(=O)[O-] LQ1442 [0,1,0,0,0,0|3,0,0]=4 416 B5R0.5 O=C([O-])C(=O)[O-] LQ1443 [0,1,0,0,0,0|3,0,0]=4 417 B5R0.5 O=C([O-])C(=O)[O-] LQ1444 [0,1,0,0,0,0|3,0,0]=4 418 B5R0.5 O=C([O-])C(=O)[O-] LQ1445 [0,1,0,0,0,0|3,0,0]=4 419 B5R0.5 O=C([O-])C(=O)[O-] LQ2603 [0,1,0,0,0,0|3,0,0]=4 420 B5R0.5 O=C([O-])C(=O)[O-] LQ2980 [0,1,0,0,0,0|3,0,0]=4 421 B5R0.5 O=C([O-])C(=O)[O-] LQ3018 [0,1,0,0,0,0|3,0,0]=4 422 B5R0.5 O=C([O-])C(=O)[O-] LQ5508 [0,1,0,0,0,0|3,0,0]=4 423 B5R0.5 O=C([O-])C(=O)[O-] LT4010 [0,1,0,0,0,0|3,0,0]=4 424 B5R0.5 O=C([O-])C(=O)[O-] XJ1559 [0,1,0,0,0,0|3,0,0]=4 425 B5R0.5 O=C([O-])C(=O)[O-] XJ4019 [0,1,0,0,0,0|3,0,0]=4 426 B5R0.5 O=C([O-])C(Cl)Cl JZ1871 [0,1,0,0,0,0|3,0,0]=4 427 B5R0.5 [2H]C(=O)N(C)C JZ2134 [0,1,0,0,0,0|2,0,0]=3 428 B5R1.2 BrC1CCC1 LT7156 [0,0,0,1,0,0|2,0,1]=4 429 B5R1.2 O=C1CCC1 LT7155 [0,0,0,1,0,0|1,0,0]=2 430 B5R1.2 O=C1CNC1 LQ4009 [0,0,0,1,0,0|2,0,0]=3 431 B5R1.2 O=C1COC1 LQ3137 [0,0,0,1,0,0|2,0,0]=3 432 B5R1.2 O=C1CSC1 YH65134 [0,0,0,1,0,0|2,0,0]=3 433 B5R1.2 OC1CCC1 JZ2141 [0,0,0,1,0,0|1,0,2]=4 434 B5R1.3 CNC1CC1 YH13207 [0,0,0,1,0,0|2,0,1]=4 435 B5R1.4 CC1OC1C XJ2416 [0,0,0,1,0,0|1,0,2]=4 436 B5R1.4 C[C@@H]1O[C@@H]1C XJ1886 [0,0,0,1,0,0|1,0,2]=4 437 B2R0.1 C=C=O LQ0834 [2,0,0,0,0,0|0,0,2]=4 438 B2R0.1 C=CCl XJ3453 [2,0,0,0,0,0|1,0,1]=4 439 B2R0.1 C=CI LQ1085 [2,0,0,0,0,0|1,0,1]=4 440 B2R0.1 C=C[CH2-] XJ3675 [2,0,0,0,0,0|0,0,2]=4 441 B2R0.1 CC#N LL1068 [2,0,0,0,0,0|1,0,1]=4 442 B2R0.1 CC#N LQ3779 [2,0,0,0,0,0|1,0,1]=4 443 B2R0.1 CC=O LQ0081 [2,0,0,0,0,0|0,0,0]=2 444 B2R0.1 CCN LQ1083 [2,0,0,0,0,0|1,0,1]=4 445 B2R0.1 CCS LQ0071 [2,0,0,0,0,0|0,1,1]=4 446 B2R0.1 CC[O-] HL0532 [2,0,0,0,0,0|0,0,2]=4 447 B2R0.1 CC[O-] HL2878 [2,0,0,0,0,0|0,0,2]=4 448 B2R0.1 CC[O-] HL4901 [2,0,0,0,0,0|0,0,2]=4 449 B2R0.1 CC[O-] JZ1966 [2,0,0,0,0,0|0,0,2]=4 450 B2R0.1 CC[O-] JZ2286 [2,0,0,0,0,0|0,0,2]=4 451 B2R0.1 CC[O-] JZ4882 [2,0,0,0,0,0|0,0,2]=4 452 B2R0.1 CC[O-] XJ5943 [2,0,0,0,0,0|0,0,2]=4 453 B2R0.1 CSC JZ3723 [2,0,0,0,0,0|0,1,0]=3 454 B2R0.1 C[Hg]O LQ1729 [2,0,0,0,0,0|1,0,0]=3 455 B2R0.1 C[N-]C JZ2361 [2,0,0,0,0,0|1,0,0]=3 456 B2R0.1 C[Se]C LQ1086 [2,0,0,0,0,0|0,1,0]=3 457 B2R0.1 C[SiH2]Cl XJ1512 [2,0,0,0,0,0|1,1,0]=4 458 B2R0.1 O=C=O HL1493 [2,0,0,0,0,0|0,0,2]=4 459 B2R0.1 O=CO JZ5436 [2,0,0,0,0,0|0,0,0]=2 460 B2R0.1 O=C[O-] HL2500 [2,0,0,0,0,0|0,0,1]=3 461 B2R0.1 O=C[O-] LQ1036 [2,0,0,0,0,0|0,0,1]=3 462 B2R0.1 O=C[O-] LQ1425 [2,0,0,0,0,0|0,0,1]=3 463 B2R0.1 O=C[O-] LQ2986 [2,0,0,0,0,0|0,0,1]=3 464 B2R0.1 O=C[O-] XJ2402 [2,0,0,0,0,0|0,0,1]=3 465 B2R0.1 O=C[O-] XJ3084 [2,0,0,0,0,0|0,0,1]=3 466 B2R0.1 O=[15N][O-] RT1049 [2,0,0,0,0,0|1,0,1]=4 467 B2R0.1 O=[Pt]=O RT17671 [2,0,0,0,0,0|1,0,1]=4 468 B2R0.1 [18O]=N[18O-] RT1046 [2,0,0,0,0,0|1,0,1]=4 469 B4R0.2 C=CCCBr LQ2822 [1,1,0,0,0,0|1,0,1]=4 470 B4R0.2 C=CCCN LQ2198 [1,1,0,0,0,0|1,0,1]=4 471 B4R0.2 C=CCOC HL0257 [1,1,0,0,0,0|0,0,1]=3 472 B4R0.2 C=C\C=C\C XJ0878 [1,1,0,0,0,0|1,0,1]=4 473 B4R0.2 CC#CCO XJ1336 [1,1,0,0,0,0|1,0,1]=4 474 B4R0.2 CCCCN LQ2553 [1,1,0,0,0,0|1,0,1]=4 475 B4R0.2 CCCCS LL0387 [1,1,0,0,0,0|1,0,1]=4 476 B4R0.2 CCCC[O-] HL2476 [1,1,0,0,0,0|1,0,1]=4 477 B4R0.2 CCCC[O-] LQ4485 [1,1,0,0,0,0|1,0,1]=4 478 B4R0.2 CCOC=N LQ3955 [1,1,0,0,0,0|1,0,0]=3 479 B4R0.2 CCOC=O LL0396 [1,1,0,0,0,0|0,0,0]=2 480 B4R0.2 CCOCC LL1197 [1,1,0,0,0,0|0,0,1]=3 481 B4R0.2 CCOCC XJ5008 [1,1,0,0,0,0|0,0,1]=3 482 B4R0.2 CCSSC LQ4240 [1,1,0,0,0,0|0,1,1]=4 483 B4R0.2 CC[AlH3+]CC LL0219 [1,1,0,0,0,0|1,0,1]=4 484 B4R0.2 CC[N-]CC RT4825 [1,1,0,0,0,0|1,0,1]=4 485 B4R0.2 CC[NH2+]CC XJ6105 [1,1,0,0,0,0|1,0,1]=4 486 B4R0.2 CC[Se]CC RT0534 [1,1,0,0,0,0|0,1,1]=4 487 B4R0.2 CNCCCl RT4724 [1,1,0,0,0,0|1,0,1]=4 488 B4R0.2 CNCCCl YH54353 [1,1,0,0,0,0|1,0,1]=4 489 B4R0.2 CNCCN LL0389 [1,1,0,0,0,0|1,0,1]=4 490 B4R0.2 COCC#N JZ4756 [1,1,0,0,0,0|0,0,2]=4 491 B4R0.2 COCCN LL0392 [1,1,0,0,0,0|0,0,1]=3 492 B4R0.2 COCCO XJ3502 [1,1,0,0,0,0|0,0,1]=3 493 B4R0.2 CSCC=O JZ5555 [1,1,0,0,0,0|0,1,0]=3 494 B4R0.2 CSCCO JZ2661 [1,1,0,0,0,0|0,1,1]=4 495 B4R0.2 CSSSC LT5322 [1,1,0,0,0,0|1,1,0]=4 496 B4R0.2 C\C=C/CO YH00287 [1,1,0,0,0,0|1,0,0]=3 497 B4R0.2 C\C=C\C=O XJ0511 [1,1,0,0,0,0|1,0,0]=3 498 B4R0.2 C\C=C\CC XJ1213 [1,1,0,0,0,0|1,0,0]=3 499 B4R0.2 C\C=C\CCl HL0110 [1,1,0,0,0,0|1,0,0]=3 500 B4R0.2 C\C=C\CN YH07653 [1,1,0,0,0,0|1,0,0]=3 501 B4R0.2 Cl\C=C\CCl XJ0956 [1,1,0,0,0,0|2,0,0]=4 502 B4R0.2 NCCON RT0317 [1,1,0,0,0,0|1,0,1]=4 503 B4R0.2 O=C[N-]C=O YH41619 [1,1,0,0,0,0|1,0,1]=4 504 B4R0.3 CC(C)(Br)Br LQ1091 [1,1,0,0,0,0|1,0,1]=4 505 B4R0.3 CC(C)(C)Br HL1886 [1,1,0,0,0,0|1,0,1]=4 506 B4R0.3 CC(C)(C)I LQ1044 [1,1,0,0,0,0|1,0,1]=4 507 B4R0.3 CC(C)(C)N LQ0109 [1,1,0,0,0,0|1,0,1]=4 508 B4R0.3 CC(C)(C)S LQ0111 [1,1,0,0,0,0|0,1,1]=4 509 B4R0.3 CC(C)(C)[O-] YH42977 [1,1,0,0,0,0|0,0,2]=4 510 B4R0.3 CC(C)(C)[O-] YH90670 [1,1,0,0,0,0|0,0,2]=4 511 B4R0.3 CP(C)(=O)Cl XJ1549 [1,1,0,0,0,0|1,0,0]=3 512 B4R0.3 CP(C)(=S)Cl XJ1515 [1,1,0,0,0,0|1,1,0]=4 513 B4R0.3 CP(C)(C)=O HL0340 [1,1,0,0,0,0|1,0,0]=3 514 B4R0.3 CP(C)(C)=S JZ2008 [1,1,0,0,0,0|1,1,0]=4 515 B4R0.3 CS(=O)(=O)Cl RT17773 [1,1,0,0,0,0|1,0,1]=4 516 B4R0.3 CS(=O)(=O)F CJ2463 [1,1,0,0,0,0|1,0,1]=4 517 B4R0.3 CS(=O)(=O)[O-] LL1481 [1,1,0,0,0,0|1,0,1]=4 518 B4R0.3 CS(C)(=O)=S YH20749 [1,1,0,0,0,0|1,0,0]=3 519 B4R0.3 CS(N)(=O)=O YH53906 [1,1,0,0,0,0|1,0,1]=4 520 B4R0.3 C[As+](C)(C)C RT1258 [1,1,0,0,0,0|2,0,0]=4 521 B4R0.3 C[As](C)(=O)[O-] LT7052 [1,1,0,0,0,0|1,0,0]=3 522 B4R0.3 C[As](C)(=O)[O-] XJ3003 [1,1,0,0,0,0|1,0,0]=3 523 B4R0.3 C[As](C)(C)=O RT18761 [1,1,0,0,0,0|1,0,0]=3 524 B4R0.3 C[Ge](C)(C)C XJ1380 [1,1,0,0,0,0|1,1,0]=4 525 B4R0.3 C[N+](C)(C)C HL3369 [1,1,0,0,0,0|2,0,0]=4 526 B4R0.3 C[N+](C)(C)C HL4142 [1,1,0,0,0,0|2,0,0]=4 527 B4R0.3 C[N+](C)(C)C JZ1791 [1,1,0,0,0,0|2,0,0]=4 528 B4R0.3 C[N+](C)(C)C JZ3462 [1,1,0,0,0,0|2,0,0]=4 529 B4R0.3 C[N+](C)(C)C JZ4899 [1,1,0,0,0,0|2,0,0]=4 530 B4R0.3 C[N+](C)(C)C JZ5137 [1,1,0,0,0,0|2,0,0]=4 531 B4R0.3 C[N+](C)(C)C LL1382 [1,1,0,0,0,0|2,0,0]=4 532 B4R0.3 C[N+](C)(C)C LL2539 [1,1,0,0,0,0|2,0,0]=4 533 B4R0.3 C[N+](C)(C)C LQ2217 [1,1,0,0,0,0|2,0,0]=4 534 B4R0.3 C[N+](C)(C)C LQ3412 [1,1,0,0,0,0|2,0,0]=4 535 B4R0.3 C[N+](C)(C)C LQ3869 [1,1,0,0,0,0|2,0,0]=4 536 B4R0.3 C[N+](C)(C)C LT7161 [1,1,0,0,0,0|2,0,0]=4 537 B4R0.3 C[N+](C)(C)C XJ0720 [1,1,0,0,0,0|2,0,0]=4 538 B4R0.3 C[N+](C)(C)C XJ1286 [1,1,0,0,0,0|2,0,0]=4 539 B4R0.3 C[N+](C)(C)C XJ6647 [1,1,0,0,0,0|2,0,0]=4 540 B4R0.3 C[N+](C)(C)C XJ6806 [1,1,0,0,0,0|2,0,0]=4 541 B4R0.3 C[P+](C)(C)C HL2758 [1,1,0,0,0,0|2,0,0]=4 542 B4R0.3 C[S+](C)(C)=O HL2856 [1,1,0,0,0,0|1,0,0]=3 543 B4R0.3 C[S+](C)(C)=O XJ1911 [1,1,0,0,0,0|1,0,0]=3 544 B4R0.3 C[S+](C)(C)=O XJ4842 [1,1,0,0,0,0|1,0,0]=3 545 B4R0.3 C[Si](C)(C)Cl JZ1345 [1,1,0,0,0,0|1,1,0]=4 546 B4R0.3 C[Si](C)(C)I JZ1572 [1,1,0,0,0,0|1,1,0]=4 547 B4R0.3 C[Si](C)(Cl)Cl LQ0118 [1,1,0,0,0,0|1,1,0]=4 548 B4R0.3 C[Si](C)(O)O RT18565 [1,1,0,0,0,0|0,1,1]=4 549 B4R0.3 C[Sn](C)(Br)Br HL2337 [1,1,0,0,0,0|2,0,0]=4 550 B4R0.3 C[Sn](C)(C)Br LQ1606 [1,1,0,0,0,0|2,0,0]=4 551 B4R0.3 C[Sn](C)(C)C LQ1093 [1,1,0,0,0,0|2,0,0]=4 552 B4R0.3 C[Sn](C)(C)O LQ0041 [1,1,0,0,0,0|1,0,1]=4 553 B4R0.3 C[Sn](C)(Cl)Cl XJ1304 [1,1,0,0,0,0|2,0,0]=4 554 B4R0.3 NS(=O)(=O)O LT4073 [1,1,0,0,0,0|2,0,0]=4 555 B4R0.3 O=P(O)(O)O YH18504 [1,1,0,0,0,0|2,0,0]=4 556 B4R0.3 O=P([O-])(O)O LT3681 [1,1,0,0,0,0|2,0,0]=4 557 B4R0.3 O=P([O-])(O)O XJ1897 [1,1,0,0,0,0|2,0,0]=4 558 B4R0.3 O=S(=O)(O)O RT4964 [1,1,0,0,0,0|2,0,0]=4 559 B4R0.3 O=S(=O)(O)O RT4966 [1,1,0,0,0,0|2,0,0]=4 560 B4R0.3 O=S(=O)(O)O YH20408 [1,1,0,0,0,0|2,0,0]=4 561 B4R0.3 O=S(O)(O)=S YH18531 [1,1,0,0,0,0|2,0,0]=4 562 B6R0.1 C#CC(=O)OCC JZ0327 [0,2,0,0,0,0|0,0,1]=3 563 B6R0.1 C#C\C(C)=C/CO YH10167 [0,2,0,0,0,0|2,0,0]=4 564 B6R0.1 C(Cl)CC(=O)OC LT5092 [0,2,0,0,0,0|0,0,0]=2 565 B6R0.1 C=CC(=O)OCC XJ0563 [0,2,0,0,0,0|0,0,1]=3 566 B6R0.1 C=COC(=O)CC XJ0313 [0,2,0,0,0,0|0,0,1]=3 567 B6R0.1 C=COC(=O)CCl LQ2227 [0,2,0,0,0,0|0,0,1]=3 568 B6R0.1 CCC(=O)CSC JZ4808 [0,2,0,0,0,0|0,1,0]=3 569 B6R0.1 CCC(=O)\C=C\Cl RT1219 [0,2,0,0,0,0|1,0,1]=4 570 B6R0.1 CCC(C)CC=O JZ5060 [0,2,0,0,0,0|1,0,1]=4 571 B6R0.1 CCCC(=O)CC HL0062 [0,2,0,0,0,0|1,0,0]=3 572 B6R0.1 CCCC(=O)NN JZ2316 [0,2,0,0,0,0|2,0,0]=4 573 B6R0.1 CCCC(=O)OC XJ1144 [0,2,0,0,0,0|0,0,0]=2 574 B6R0.1 CCCC(=O)SC XJ2150 [0,2,0,0,0,0|0,1,0]=3 575 B6R0.1 CCOC(=O)C=O LQ1498 [0,2,0,0,0,0|0,0,1]=3 576 B6R0.1 CCOC(=O)CBr JZ0369 [0,2,0,0,0,0|0,0,0]=2 577 B6R0.1 CCOC(=O)CN JZ1544 [0,2,0,0,0,0|0,0,0]=2 578 B6R0.1 CCOC(=O)NN LT5272 [0,2,0,0,0,0|1,0,0]=3 579 B6R0.1 CCOC(=O)NN XJ4829 [0,2,0,0,0,0|1,0,0]=3 580 B6R0.1 CCOC(=O)NO HL0063 [0,2,0,0,0,0|1,0,0]=3 581 B6R0.1 CCOC(=O)[13CH2]N RT5563 [0,2,0,0,0,0|0,0,0]=2 582 B6R0.1 CCO\C(C)=N\O JZ3459 [0,2,0,0,0,0|0,0,1]=3 583 B6R0.1 CCSC(=O)CC LT5718 [0,2,0,0,0,0|0,1,0]=3 584 B6R0.1 CC\C=C(/C)C=O XJ1141 [0,2,0,0,0,0|1,0,0]=3 585 B6R0.1 CNC(=O)CC#N LT5789 [0,2,0,0,0,0|1,0,0]=3 586 B6R0.1 CNCC(=O)OC JZ4592 [0,2,0,0,0,0|0,0,0]=2 587 B6R0.1 COC(=O)CCN LT4189 [0,2,0,0,0,0|0,0,0]=2 588 B6R0.1 COC(=O)CCS JZ2165 [0,2,0,0,0,0|0,0,0]=2 589 B6R0.1 COC(=O)NC#N LT5545 [0,2,0,0,0,0|0,0,1]=3 590 B6R0.1 COC(=O)OCCl RT1172 [0,2,0,0,0,0|0,0,0]=2 591 B6R0.1 COCC(O)CCl HL2667 [0,2,0,0,0,0|0,0,2]=4 592 B6R0.1 COCC(O)CO LT2370 [0,2,0,0,0,0|0,0,2]=4 593 B6R0.1 COC[C@@H](N)CO LX2569 [0,2,0,0,0,0|1,0,1]=4 594 B6R0.1 CO\C(C)=N\C#N LT5619 [0,2,0,0,0,0|1,0,0]=3 595 B6R0.1 CSC(C)CC=O LT2625 [0,2,0,0,0,0|0,1,1]=4 596 B6R0.1 C\C(=C/CBr)CCl RT0131 [0,2,0,0,0,0|2,0,0]=4 597 B6R0.1 C\C=C\C(=O)OC LQ4078 [0,2,0,0,0,0|0,0,0]=2 598 B6R0.1 C\C=C\C(C)=C\C LQ4645 [0,2,0,0,0,0|2,0,0]=4 599 B6R0.1 N#CCC(=O)NN XJ0562 [0,2,0,0,0,0|2,0,0]=4 600 B6R0.1 O=C(CBr)NCO RT1446 [0,2,0,0,0,0|1,0,0]=3 601 B6R0.1 O=C(CCl)NCO HL2402 [0,2,0,0,0,0|1,0,0]=3 602 B6R0.1 O=C=NC(=O)CCl XJ2713 [0,2,0,0,0,0|1,0,1]=4 603 B6R0.2 CC(=O)CC(=O)[O-] LQ2436 [0,2,0,0,0,0|1,0,1]=4 604 B6R0.2 CC(=O)CC(C)=O LQ3994 [0,2,0,0,0,0|1,0,0]=3 605 B6R0.2 CC(=O)CC(C)=O XJ0505 [0,2,0,0,0,0|1,0,0]=3 606 B6R0.2 CC(=O)CC(C)C LQ0378 [0,2,0,0,0,0|1,0,0]=3 607 B6R0.2 CC(=O)NC(=N)N LX2462 [0,2,0,0,0,0|1,0,1]=4 608 B6R0.2 CC(=O)NC(C)=O XJ1199 [0,2,0,0,0,0|1,0,0]=3 609 B6R0.2 CC(=O)NC(N)=O HL0091 [0,2,0,0,0,0|1,0,1]=4 610 B6R0.2 CC(=O)OC(C)Br LQ5001 [0,2,0,0,0,0|0,0,0]=2 611 B6R0.2 CC(=O)OC(C)C LQ0385 [0,2,0,0,0,0|0,0,0]=2 612 B6R0.2 CC(=O)\C=C(/C)N XJ1576 [0,2,0,0,0,0|1,0,0]=3 613 B6R0.2 CC(=O)\C=C(/C)[O-] LL2811 [0,2,0,0,0,0|1,0,0]=3 614 B6R0.2 CC(=O)\C=C(\C)[O-] JZ5312 [0,2,0,0,0,0|1,0,0]=3 615 B6R0.2 CC(=O)\C=C(\C)[O-] LL1065 [0,2,0,0,0,0|1,0,0]=3 616 B6R0.2 CC(=O)\C=C(\C)[O-] LQ3492 [0,2,0,0,0,0|1,0,0]=3 617 B6R0.2 CC(=O)\C=C(\C)[O-] XJ4055 [0,2,0,0,0,0|1,0,0]=3 618 B6R0.2 CC(=O)\C=C(\C)[O-] XJ4174 [0,2,0,0,0,0|1,0,0]=3 619 B6R0.2 CC(Br)CC(=O)O JZ2085 [0,2,0,0,0,0|2,0,0]=4 620 B6R0.2 CC(C)=CC(=O)O XJ0940 [0,2,0,0,0,0|2,0,0]=4 621 B6R0.2 CC(C)CC(=O)O XJ0871 [0,2,0,0,0,0|2,0,0]=4 622 B6R0.2 CC(C)CC(N)=O XJ0939 [0,2,0,0,0,0|2,0,0]=4 623 B6R0.2 CC(C)OC(=O)Cl LQ0387 [0,2,0,0,0,0|1,0,0]=3 624 B6R0.2 CC(C)OC(=S)[S-] XJ0566 [0,2,0,0,0,0|1,1,0]=4 625 B6R0.2 CC(C)O[N+](=O)[O-] JZ4698 [0,2,0,0,0,0|2,0,0]=4 626 B6R0.2 CC(N)CC(=O)O JZ1398 [0,2,0,0,0,0|2,0,0]=4 627 B6R0.2 CC(O)CC(=O)O LL0657 [0,2,0,0,0,0|2,0,0]=4 628 B6R0.2 CC(O)CC(=O)[O-] LQ0611 [0,2,0,0,0,0|2,0,0]=4 629 B6R0.2 CC(O)CC(=O)[O-] YH53256 [0,2,0,0,0,0|2,0,0]=4 630 B6R0.2 CN(C)CC(=O)Cl CJ3040 [0,2,0,0,0,0|2,0,0]=4 631 B6R0.2 C[C@@H](N)CC(=O)O HL2631 [0,2,0,0,0,0|2,0,0]=4 632 B6R0.2 C[C@H](N)CC(=O)O HL2630 [0,2,0,0,0,0|2,0,0]=4 633 B6R0.2 C[C@H](N)CC(=O)O LQ5428 [0,2,0,0,0,0|2,0,0]=4 634 B6R0.2 C[C@H](N)CC(=O)O YH57972 [0,2,0,0,0,0|2,0,0]=4 635 B6R0.2 C[C@H](N)CC(=O)O YH66623 [0,2,0,0,0,0|2,0,0]=4 636 B6R0.2 C[S+](C)CC(=O)[O-] LQ2769 [0,2,0,0,0,0|1,1,0]=4 637 B6R0.2 C[SiH](C)O[SiH](C)C XJ5049 [0,2,0,0,0,0|1,1,0]=4 638 B6R0.3 C=C(C)C(=O)OC XJ0124 [0,2,0,0,0,0|0,0,0]=2 639 B6R0.3 C=C(CBr)C(=O)O RT1276 [0,2,0,0,0,0|2,0,0]=4 640 B6R0.3 C=C(F)C(=O)OC LQ2116 [0,2,0,0,0,0|0,0,1]=3 641 B6R0.3 C=CN(C)C(C)=O JZ2249 [0,2,0,0,0,0|1,0,0]=3 642 B6R0.3 CC(=O)C(=O)CBr YH65550 [0,2,0,0,0,0|1,0,0]=3 643 B6R0.3 CC(=O)C(C)CO HL2533 [0,2,0,0,0,0|1,0,0]=3 644 B6R0.3 CC(=O)\C(C)=C\[O-] RT1132 [0,2,0,0,0,0|1,0,0]=3 645 B6R0.3 CC(=O)\C(C)=N\O LL0011 [0,2,0,0,0,0|1,0,0]=3 646 B6R0.3 CC(C)C(=O)NN XJ2497 [0,2,0,0,0,0|2,0,0]=4 647 B6R0.3 CC(CBr)C(=O)O RT17689 [0,2,0,0,0,0|2,0,0]=4 648 B6R0.3 CC(CN)C(=O)O JZ1399 [0,2,0,0,0,0|2,0,0]=4 649 B6R0.3 CC(CN)C(=O)O RT5016 [0,2,0,0,0,0|2,0,0]=4 650 B6R0.3 CC(CN)C(=O)O YH46231 [0,2,0,0,0,0|2,0,0]=4 651 B6R0.3 CC(CO)C(=O)O RT16856 [0,2,0,0,0,0|2,0,0]=4 652 B6R0.3 CCC(=O)N(C)C XJ1308 [0,2,0,0,0,0|1,0,0]=3 653 B6R0.3 CCC(=O)N(C)C XJ1318 [0,2,0,0,0,0|1,0,0]=3 654 B6R0.3 CCC(C)C(=O)Cl LT2056 [0,2,0,0,0,0|1,0,1]=4 655 B6R0.3 CCC(C)C(=O)[O-] LL2514 [0,2,0,0,0,0|1,0,1]=4 656 B6R0.3 CCC(Cl)C(=O)O HL2688 [0,2,0,0,0,0|2,0,0]=4 657 B6R0.3 CCC(Cl)C(N)=O XJ3322 [0,2,0,0,0,0|2,0,0]=4 658 B6R0.3 CCC(N)C(=O)O JZ1396 [0,2,0,0,0,0|2,0,0]=4 659 B6R0.3 CCC(N)C(=O)O JZ1397 [0,2,0,0,0,0|2,0,0]=4 660 B6R0.3 CCC(O)C(=O)[O-] JZ5280 [0,2,0,0,0,0|2,0,0]=4 661 B6R0.3 CCC(S)C(C)=O LL1144 [0,2,0,0,0,0|1,0,0]=3 662 B6R0.3 CCN(C)C(=O)Cl RT17546 [0,2,0,0,0,0|2,0,0]=4 663 B6R0.3 CC[C@@H](Br)C(=O)O RT0003 [0,2,0,0,0,0|2,0,0]=4 664 B6R0.3 CC[C@@H](C)C(=O)O RT0213 [0,2,0,0,0,0|1,0,1]=4 665 B6R0.3 CC[C@@H](N)C(=O)O JZ1364 [0,2,0,0,0,0|2,0,0]=4 666 B6R0.3 CC[C@H](N)C(N)=O LQ3256 [0,2,0,0,0,0|2,0,0]=4 667 B6R0.3 CC[C@H](N)C(N)=O LX2937 [0,2,0,0,0,0|2,0,0]=4 668 B6R0.3 CN(C)C(=O)CCl XJ2231 [0,2,0,0,0,0|1,0,0]=3 669 B6R0.3 CN(N=O)C(N)=O HL0366 [0,2,0,0,0,0|2,0,0]=4 670 B6R0.3 CNC(=O)N(C)C LQ1298 [0,2,0,0,0,0|1,0,0]=3 671 B6R0.3 COC(=O)C(C)=O LT7441 [0,2,0,0,0,0|0,0,0]=2 672 B6R0.3 COC(=O)C(C)C HL1985 [0,2,0,0,0,0|0,0,0]=2 673 B6R0.3 COC(=O)C(C)S RT19716 [0,2,0,0,0,0|0,0,0]=2 674 B6R0.3 COC(=O)C(Cl)Cl LQ0448 [0,2,0,0,0,0|0,0,0]=2 675 B6R0.3 COC(=O)[C@@H](C)N JZ1659 [0,2,0,0,0,0|0,0,0]=2 676 B6R0.3 COC(=O)[C@@H](C)O RT0506 [0,2,0,0,0,0|0,0,0]=2 677 B6R0.3 CON(C)C(C)=O LL1390 [0,2,0,0,0,0|0,0,0]=2 678 B6R0.3 C\C=C(/C)C(=O)Cl RT17529 [0,2,0,0,0,0|1,0,0]=3 679 B6R0.3 C\C=C(/C)C(=O)O RT0199 [0,2,0,0,0,0|1,0,0]=3 680 B6R0.3 C\C=C(/C)C(C)=O LL0992 [0,2,0,0,0,0|1,0,0]=3 681 B6R0.3 C\C=C(\C)C(=O)O LX1016 [0,2,0,0,0,0|1,0,0]=3 682 B6R0.3 NC(=O)C(Br)CBr XJ4149 [0,2,0,0,0,0|2,0,0]=4 683 B6R0.3 NC(CCl)C(=O)O RT4761 [0,2,0,0,0,0|2,0,0]=4 684 B6R0.3 NC(CO)C(=O)O JZ1426 [0,2,0,0,0,0|2,0,0]=4 685 B6R0.3 NCC(N)C(=O)O HL1942 [0,2,0,0,0,0|2,0,0]=4 686 B6R0.3 NC[C@H](O)C(=O)O LX3228 [0,2,0,0,0,0|2,0,0]=4 687 B6R0.3 N[C@@H](CO)C(=O)O JZ0405 [0,2,0,0,0,0|2,0,0]=4 688 B6R0.3 N[C@@H](CS)C(=O)O JZ0515 [0,2,0,0,0,0|2,0,0]=4 689 B6R0.3 N[C@@H](CS)C(=O)O JZ0516 [0,2,0,0,0,0|2,0,0]=4 690 B6R0.3 N[C@@H](CS)C(=O)O JZ1611 [0,2,0,0,0,0|2,0,0]=4 691 B6R0.3 N[C@H](CO)C(=O)O JZ1445 [0,2,0,0,0,0|2,0,0]=4 692 B6R0.3 N[C@H](CS)C(=O)O JZ1381 [0,2,0,0,0,0|2,0,0]=4 693 B6R0.3 N[C@H](CS)C(=O)O JZ1382 [0,2,0,0,0,0|2,0,0]=4 694 B6R0.3 N[C@H](CS)C(=O)O JZ1384 [0,2,0,0,0,0|2,0,0]=4 695 B6R0.3 O=C(CCl)C(Cl)Cl HL0548 [0,2,0,0,0,0|2,0,0]=4 696 B6R0.3 O=C(Cl)C(Br)CBr LQ4095 [0,2,0,0,0,0|2,0,0]=4 697 B6R0.3 O=C(O)C(=O)CBr LT6742 [0,2,0,0,0,0|2,0,0]=4 698 B6R0.3 O=C(O)C(O)CCl RT1118 [0,2,0,0,0,0|2,0,0]=4 699 B6R0.3 O=C(O)C(O)CS RT17775 [0,2,0,0,0,0|2,0,0]=4 700 B6R0.3 O=C([O-])C(O)CO LL1137 [0,2,0,0,0,0|2,0,0]=4 701 B6R0.3 O=C([O-])C(O)CO LT7565 [0,2,0,0,0,0|2,0,0]=4 702 B6R0.3 [C@@H](C)(N)C(=O)OC JZ1603 [0,2,0,0,0,0|0,0,0]=2 703 B6R0.3 [C@H](N)(CC)C(=O)O LX2077 [0,2,0,0,0,0|2,0,0]=4 704 B6R0.4 C#CCOC(C)=O HL0247 [0,2,0,0,0,0|0,0,0]=2 705 B6R0.4 C=C(C)C#CCC LQ4354 [0,2,0,0,0,0|2,0,0]=4 706 B6R0.4 C=CCCC(=O)O YH08846 [0,2,0,0,0,0|2,0,0]=4 707 B6R0.4 C=CCCC(C)=O LQ0437 [0,2,0,0,0,0|1,0,0]=3 708 B6R0.4 C=CCNC(N)=O LQ1025 [0,2,0,0,0,0|2,0,0]=4 709 B6R0.4 C=CCOC(=O)Cl JZ2167 [0,2,0,0,0,0|1,0,0]=3 710 B6R0.4 C=CCOC(C)=O HL0108 [0,2,0,0,0,0|0,0,0]=2 711 B6R0.4 CC#CCC(=O)O RT17532 [0,2,0,0,0,0|2,0,0]=4 712 B6R0.4 CC(=O)NCCCl JZ3076 [0,2,0,0,0,0|1,0,0]=3 713 B6R0.4 CC(=O)NCCN HL0561 [0,2,0,0,0,0|1,0,0]=3 714 B6R0.4 CC(=O)OCCBr LQ1516 [0,2,0,0,0,0|0,0,0]=2 715 B6R0.4 CC(C)=CCCBr HL2172 [0,2,0,0,0,0|2,0,0]=4 716 B6R0.4 CC(C)OCCO LQ0441 [0,2,0,0,0,0|1,0,1]=4 717 B6R0.4 CCC#CC(=O)O RT17589 [0,2,0,0,0,0|2,0,0]=4 718 B6R0.4 CCCCC(=O)[O-] RT0478 [0,2,0,0,0,0|2,0,0]=4 719 B6R0.4 CCCCC(N)=O HL0242 [0,2,0,0,0,0|2,0,0]=4 720 B6R0.4 CCCNC(C)=O JZ2722 [0,2,0,0,0,0|1,0,0]=3 721 B6R0.4 CCCNC(N)=O HL0246 [0,2,0,0,0,0|2,0,0]=4 722 B6R0.4 CCCOC(N)=O RT1458 [0,2,0,0,0,0|1,0,0]=3 723 B6R0.4 CCOCC(=O)Cl JZ4848 [0,2,0,0,0,0|1,0,0]=3 724 B6R0.4 COCCC(=O)O LQ2190 [0,2,0,0,0,0|1,0,0]=3 725 B6R0.4 COCCC(C)O LT2442 [0,2,0,0,0,0|0,0,2]=4 726 B6R0.4 CO\C=C\C(C)=O LQ2718 [0,2,0,0,0,0|0,0,0]=2 727 B6R0.4 CSCCC(=O)Cl XJ3231 [0,2,0,0,0,0|1,1,0]=4 728 B6R0.4 CSCCC(C)=O LT2666 [0,2,0,0,0,0|0,1,0]=3 729 B6R0.4 NCCCC(=O)O CJ3094 [0,2,0,0,0,0|2,0,0]=4 730 B6R0.4 NCCCC(N)=O RT0435 [0,2,0,0,0,0|2,0,0]=4 731 B6R0.4 O=C(Cl)CCCBr LQ1513 [0,2,0,0,0,0|2,0,0]=4 732 B6R0.4 O=C(O)CCCBr JZ2086 [0,2,0,0,0,0|2,0,0]=4 733 B6R0.4 O=C(O)CCCS RT19786 [0,2,0,0,0,0|2,0,0]=4 734 B6R0.4 O=C(O)\C=C\CBr LT3163 [0,2,0,0,0,0|2,0,0]=4 735 B6R0.4 O=C(O)\C=C\CCl YH66283 [0,2,0,0,0,0|2,0,0]=4 736 B6R0.4 O=C(O)\C=C\CO RT13448 [0,2,0,0,0,0|2,0,0]=4 737 B6R0.4 O=C([O-])CNCO JZ1760 [0,2,0,0,0,0|2,0,0]=4 738 B6R0.5 CCOC(C)(C)C JZ4054 [0,2,0,0,0,0|1,0,1]=4 739 B6R0.5 CCOS(C)(=O)=O XJ0017 [0,2,0,0,0,0|1,0,0]=3 740 B6R0.5 CCSS(C)(=O)=O RT17802 [0,2,0,0,0,0|1,1,0]=4 741 B6R0.5 COCC(C)(C)O JZ2366 [0,2,0,0,0,0|0,0,2]=4 742 B6R0.5 CS(=O)(=O)CCN YH22609 [0,2,0,0,0,0|2,0,0]=4 743 B6R0.5 CS(=O)(=O)CCO XJ4187 [0,2,0,0,0,0|2,0,0]=4 744 B6R0.5 CS(=O)(=S)OCBr RT17827 [0,2,0,0,0,0|1,0,0]=3 745 B6R0.8 CCP(=O)(Cl)CC XJ1551 [0,2,0,0,0,0|2,0,0]=4 746 B6R0.8 CCS(=O)(=O)CC LQ1119 [0,2,0,0,0,0|2,0,0]=4 747 B6R0.8 CCS(=O)(=O)OC LT2073 [0,2,0,0,0,0|1,0,0]=3 748 B6R0.8 COC(C)(C)OC LT6181 [0,2,0,0,0,0|0,0,2]=4 749 B6R0.8 COP(=O)(Cl)OC RT1350 [0,2,0,0,0,0|1,0,0]=3 750 B6R0.8 COP(=O)(O)OC LQ1431 [0,2,0,0,0,0|1,0,0]=3 751 B6R0.8 COP(=O)([O-])OC RT1339 [0,2,0,0,0,0|1,0,0]=3 752 B6R0.8 COP(=S)(Cl)OC LT5752 [0,2,0,0,0,0|1,1,0]=4 753 B6R0.8 COP(=S)([S-])OC LQ1611 [0,2,0,0,0,0|1,1,0]=4 754 B6R0.8 COP(C)(=O)OC XJ1313 [0,2,0,0,0,0|1,0,0]=3 755 B6R0.8 COP([O-])(=S)OC RT1341 [0,2,0,0,0,0|1,0,1]=4 756 B6R0.8 COS(=O)(=O)OC LL0089 [0,2,0,0,0,0|1,0,0]=3 757 B6R0.9 CCN(C=O)CC LQ1209 [0,2,0,0,0,0|2,0,0]=4 758 B6R0.9 COB(OC)OC LL0502 [0,2,0,0,0,0|1,0,1]=4 759 B6R0.9 COC(C=O)OC LQ5229 [0,2,0,0,0,0|0,0,1]=3 760 B6R0.9 COC(CBr)OC LT7038 [0,2,0,0,0,0|0,0,2]=4 761 B6R0.9 COC(CCl)OC LT7109 [0,2,0,0,0,0|0,0,2]=4 762 B6R0.9 COC(CN)OC LT6925 [0,2,0,0,0,0|0,0,2]=4 763 B6R0.9 CO[Sb](OC)OC XJ4978 [0,2,0,0,0,0|1,0,1]=4 764 B6R0.9 C\N=C(/NC)SC RT4830 [0,2,0,0,0,0|1,1,0]=4 765 B6R0.7 CC(=O)C(Cl)(Cl)Cl HL0536 [0,2,0,0,0,0|2,0,0]=4 766 B6R0.7 CC(C)(Br)C(=O)Br XJ4581 [0,2,0,0,0,0|2,0,0]=4 767 B6R0.7 CC(C)(Br)C(=O)O HL2102 [0,2,0,0,0,0|2,0,0]=4 768 B6R0.7 CC(C)(Br)C(N)=O YH16835 [0,2,0,0,0,0|2,0,0]=4 769 B6R0.7 CC(C)(C)C(=O)Cl JZ0680 [0,2,0,0,0,0|2,0,0]=4 770 B6R0.7 CC(C)(C)C(=O)O JZ0676 [0,2,0,0,0,0|2,0,0]=4 771 B6R0.7 CC(C)(N)C(=O)O JZ1007 [0,2,0,0,0,0|2,0,0]=4 772 B6R0.7 CC(C)(O)C(=O)O LQ1101 [0,2,0,0,0,0|2,0,0]=4 773 B6R0.7 CC(C)(O)C(N)=O LQ3549 [0,2,0,0,0,0|2,0,0]=4 774 B6R0.7 CC(C)(S)C(=O)O LQ2741 [0,2,0,0,0,0|2,0,0]=4 775 B6R0.7 CC(Cl)(Cl)C(=O)O LQ0132 [0,2,0,0,0,0|2,0,0]=4 776 B6R0.7 CC(Cl)(Cl)C(=O)[O-] HL1538 [0,2,0,0,0,0|2,0,0]=4 777 B4R1.1 C1CNC1 LX2166 [1,0,0,1,0,0|1,0,1]=4 778 B4R1.1 C1CNC1 XJ0867 [1,0,0,1,0,0|1,0,1]=4 779 B4R1.2 CC1=CC1 LQ2353 [1,0,0,1,0,0|1,0,0]=3 780 B4R1.2 CC1CN1 RT4107 [1,0,0,1,0,0|1,0,1]=4 781 B4R1.2 C[C@H]1CO1 XJ4234 [1,0,0,1,0,0|0,0,1]=3 782 B4R1.2 [C@@H]1(C)CO1 YH36802 [1,0,0,1,0,0|0,0,1]=3 783 B6R1.2 CC1=CC=CO1 RT14148 [0,1,0,1,0,0|1,0,1]=4 784 B6R1.2 CC1=CC=NO1 XJ2996 [0,1,0,1,0,0|1,0,1]=4 785 B6R1.2 CC1=COC=C1 LQ1543 [0,1,0,1,0,0|1,0,1]=4 786 B6R1.2 CC1=NCCC1 XJ1415 [0,1,0,1,0,0|2,0,0]=4 787 B6R1.2 CC1=NCCN1 LL0953 [0,1,0,1,0,0|2,0,0]=4 788 B6R1.2 CC1=NCCO1 XJ1609 [0,1,0,1,0,0|1,0,0]=3 789 B6R1.2 CC1CCCO1 YH65006 [0,1,0,1,0,0|1,0,1]=4 790 B6R1.2 NC1=NCCN1 RT4092 [0,1,0,1,0,0|2,0,0]=4 791 B6R1.2 NC1=NCCS1 XJ1926 [0,1,0,1,0,0|1,1,0]=4 792 B6R1.2 N[C@@H]1CCOC1 CJ2199 [0,1,0,1,0,0|1,0,1]=4 793 B6R1.2 N[C@H]1CCOC1 XJ6762 [0,1,0,1,0,0|1,0,1]=4 794 B6R1.2 O=C1C=CCC1 LQ1544 [0,1,0,1,0,0|1,0,0]=3 795 B6R1.2 O=C1C=CCN1 RT14585 [0,1,0,1,0,0|1,0,1]=4 796 B6R1.2 O=C1C=CCO1 XJ0818 [0,1,0,1,0,0|0,0,1]=3 797 B6R1.2 O=C1CCCN1 RT14155 [0,1,0,1,0,0|1,0,0]=3 798 B6R1.2 O=C1CCCO1 YH98377 [0,1,0,1,0,0|0,0,0]=2 799 B6R1.2 O=C1CCCS1 HL0571 [0,1,0,1,0,0|0,1,0]=3 800 B6R1.2 O=C1CCNC1 HL2616 [0,1,0,1,0,0|1,0,0]=3 801 B6R1.2 O=C1CCNC1 YH98366 [0,1,0,1,0,0|1,0,0]=3 802 B6R1.2 O=C1CCOC1 LQ4327 [0,1,0,1,0,0|0,0,0]=2 803 B6R1.2 O=C1CCSC1 JZ1778 [0,1,0,1,0,0|0,1,0]=3 804 B6R1.2 O=C1CO[Pt]O1 LX2640 [0,1,0,1,0,0|1,0,0]=3 805 B6R1.2 O=C1NCCN1 RT14939 [0,1,0,1,0,0|1,0,0]=3 806 B6R1.2 O=C1NCCO1 LT6610 [0,1,0,1,0,0|0,0,0]=2 807 B6R1.2 O=C1NCCS1 XJ2235 [0,1,0,1,0,0|0,1,0]=3 808 B6R1.2 O=C1OC=CO1 XJ1417 [0,1,0,1,0,0|0,0,2]=4 809 B6R1.2 O=C1OCCO1 LL0243 [0,1,0,1,0,0|0,0,0]=2 810 B6R1.2 O=S1OCCO1 HL2604 [0,1,0,1,0,0|1,0,0]=3 811 B6R1.2 OC1CCCO1 RT17572 [0,1,0,1,0,0|0,0,2]=4 812 B6R1.2 OC1CCOC1 XJ0812 [0,1,0,1,0,0|0,0,2]=4 813 B6R1.2 O[C@@H]1CCOC1 HL4808 [0,1,0,1,0,0|0,0,2]=4 814 B6R1.2 O[C@H]1CCOC1 HL4807 [0,1,0,1,0,0|0,0,2]=4 815 B6R1.2 S=C1NCCN1 XJ3807 [0,1,0,1,0,0|1,1,0]=4 816 B6R1.3 [C@@H]1(COC)CO1 LL1074 [0,1,0,1,0,0|0,0,2]=4 817 B6R1.5 C=C1CC(=O)O1 JZ0310 [0,1,0,1,0,0|0,0,1]=3 818 B6R1.5 CC1CC(=O)O1 HL2455 [0,1,0,1,0,0|0,0,0]=2 819 B6R1.10 CC1(N)COC1 YH91545 [0,1,0,1,0,0|1,0,1]=4 820 B6R1.11 CC(=O)C1CC1 LT4698 [0,1,0,1,0,0|1,0,0]=3 821 B6R1.11 CC(=O)C1CO1 YH01735 [0,1,0,1,0,0|0,0,0]=2 822 B6R1.11 CC(=O)N1CC1 RT15034 [0,1,0,1,0,0|1,0,0]=3 823 B6R1.11 NC(=O)C1CC1 YH10544 [0,1,0,1,0,0|2,0,0]=4 824 B6R1.11 NC(=O)C1CO1 RT17350 [0,1,0,1,0,0|1,0,0]=3 825 B6R1.11 O=C(O)C1CO1 LX3011 [0,1,0,1,0,0|1,0,0]=3 826 B6R1.4 O=C1CCC1Cl RT13553 [0,1,0,1,0,0|1,0,0]=3 827 B6R1.7 C=CC1(C)CO1 HL2018 [0,1,0,1,0,0|1,0,1]=4