0 B4R0.1 BrCC(Br)Br LL0122 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 C#CC(=C)C LL0127 [0,0,0,0,0,0|1,0,3]=4 2 B4R0.1 C#CC(=O)O LQ0858 [0,0,0,0,0,0|1,0,3]=4 3 B4R0.1 C#CC(C)O JZ2135 [0,0,0,0,0,0|0,0,2]=2 4 B4R0.1 C#C[C@H](C)N RT3964 [0,0,0,0,0,0|1,0,2]=3 5 B4R0.1 C(=O)N(C)C YH13617 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 C=C(Br)CC LQ4356 [0,0,0,0,0,0|1,0,2]=3 7 B4R0.1 C=C(C)C#N RT1064 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 C=C(C)C=O RT1202 [0,0,0,0,0,0|2,0,2]=4 9 B4R0.1 C=C(C)CC LQ1059 [0,0,0,0,0,0|1,0,1]=2 10 B4R0.1 C=C(C)OC HL1466 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 C=C(C)[Mg]Br JZ3721 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 C=C=C(C)C LQ1135 [0,0,0,0,0,0|1,0,3]=4 13 B4R0.1 C=CC(=O)O LL0145 [0,0,0,0,0,0|1,0,3]=4 14 B4R0.1 C=CC(=O)O LQ4543 [0,0,0,0,0,0|1,0,3]=4 15 B4R0.1 C=CC(C)Cl LQ1061 [0,0,0,0,0,0|1,0,2]=3 16 B4R0.1 CC(=O)CBr LQ1137 [0,0,0,0,0,0|1,0,2]=3 17 B4R0.1 CC(=O)CN LX3064 [0,0,0,0,0,0|1,0,2]=3 18 B4R0.1 CC(=O)NBr XJ0071 [0,0,0,0,0,0|2,0,2]=4 19 B4R0.1 CC(=O)NN LQ1629 [0,0,0,0,0,0|2,0,2]=4 20 B4R0.1 CC(Br)CBr LL0123 [0,0,0,0,0,0|2,0,0]=2 21 B4R0.1 CC(Br)CCl XJ2375 [0,0,0,0,0,0|2,0,0]=2 22 B4R0.1 CC(C)CI HL1913 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.1 CC(C)CS HL1915 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 CC(C)NN LQ3967 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 CC(C)NO LT5054 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.1 CC(N)C#N LT6014 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.1 CC(N)CN YH43801 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.1 CC(N)CO JZ1400 [0,0,0,0,0,0|2,0,0]=2 29 B4R0.1 CC(O)CF YH01374 [0,0,0,0,0,0|1,0,0]=1 30 B4R0.1 CCB(O)O XJ2684 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.1 CCC(=O)Cl YH19012 [0,0,0,0,0,0|1,0,2]=3 32 B4R0.1 CCC(=O)[O-] HL1636 [0,0,0,0,0,0|1,0,2]=3 33 B4R0.1 CCC(=O)[O-] LQ1030 [0,0,0,0,0,0|1,0,2]=3 34 B4R0.1 CCC(C)I LT2185 [0,0,0,0,0,0|1,0,0]=1 35 B4R0.1 CC[C@@H](C)N JZ3698 [0,0,0,0,0,0|1,0,0]=1 36 B4R0.1 CN(C)N=O RT4837 [0,0,0,0,0,0|4,0,0]=4 37 B4R0.1 CNC(=S)[S-] LL0589 [0,0,0,0,0,0|2,1,1]=4 38 B4R0.1 CNC(=S)[S-] RT0569 [0,0,0,0,0,0|2,1,1]=4 39 B4R0.1 CNC(N)=S LQ1142 [0,0,0,0,0,0|2,1,1]=4 40 B4R0.1 COC(=N)N JZ2721 [0,0,0,0,0,0|3,0,1]=4 41 B4R0.1 COC(=O)Cl XJ0076 [0,0,0,0,0,0|2,0,2]=4 42 B4R0.1 COC(C)=N YH35544 [0,0,0,0,0,0|2,0,1]=3 43 B4R0.1 COC(C)C RT17590 [0,0,0,0,0,0|2,0,0]=2 44 B4R0.1 COC(Cl)Cl XJ2773 [0,0,0,0,0,0|3,0,0]=3 45 B4R0.1 COC(N)=O LQ1144 [0,0,0,0,0,0|2,0,2]=4 46 B4R0.1 COC(N)=[NH2+] LT5794 [0,0,0,0,0,0|3,0,1]=4 47 B4R0.1 COP(Cl)Cl XJ2430 [0,0,0,0,0,0|4,0,0]=4 48 B4R0.1 CSC(=N)N HL3579 [0,0,0,0,0,0|3,0,1]=4 49 B4R0.1 CSC(C)C LT4098 [0,0,0,0,0,0|2,0,0]=2 50 B4R0.1 CS[S+](C)C HL3015 [0,0,0,0,0,0|3,0,0]=3 51 B4R0.1 C[C@@H](N)CN YH65431 [0,0,0,0,0,0|2,0,0]=2 52 B4R0.1 C[C@@H](O)CN LT7643 [0,0,0,0,0,0|1,0,0]=1 53 B4R0.1 C[C@H](Cl)CO JZ5320 [0,0,0,0,0,0|2,0,0]=2 54 B4R0.1 C[C@H](Cl)CO XJ5311 [0,0,0,0,0,0|2,0,0]=2 55 B4R0.1 C[C@H](N)CO HL2372 [0,0,0,0,0,0|2,0,0]=2 56 B4R0.1 C[C@H](N)CO LT7580 [0,0,0,0,0,0|2,0,0]=2 57 B4R0.1 C[C@H](O)CCl JZ5302 [0,0,0,0,0,0|1,0,0]=1 58 B4R0.1 C\C=C(\C)Br JZ3724 [0,0,0,0,0,0|1,0,2]=3 59 B4R0.1 ClCC(Cl)Cl LL0136 [0,0,0,0,0,0|3,0,0]=3 60 B4R0.1 N#CC(Br)Br XJ2403 [0,0,0,0,0,0|3,0,1]=4 61 B4R0.1 N#CC(Cl)Cl XJ2376 [0,0,0,0,0,0|3,0,1]=4 62 B4R0.1 N#CC(I)I RT0733 [0,0,0,0,0,0|3,0,1]=4 63 B4R0.1 N=C(O)CO LQ1140 [0,0,0,0,0,0|2,0,1]=3 64 B4R0.1 NC(=O)CCl RT4709 [0,0,0,0,0,0|2,0,2]=4 65 B4R0.1 NCC(=O)O JZ0518 [0,0,0,0,0,0|2,0,1]=3 66 B4R0.1 NCC(=O)O LQ3009 [0,0,0,0,0,0|2,0,1]=3 67 B4R0.1 NCC(=O)[O-] JZ1232 [0,0,0,0,0,0|2,0,2]=4 68 B4R0.1 NCC(=O)[O-] JZ1274 [0,0,0,0,0,0|2,0,2]=4 69 B4R0.1 NCC(=O)[O-] JZ1346 [0,0,0,0,0,0|2,0,2]=4 70 B4R0.1 NCC(=O)[O-] JZ1545 [0,0,0,0,0,0|2,0,2]=4 71 B4R0.1 NCC(=O)[O-] JZ1650 [0,0,0,0,0,0|2,0,2]=4 72 B4R0.1 NCC(N)=O HL0991 [0,0,0,0,0,0|2,0,2]=4 73 B4R0.1 NCC(N)=O LQ1139 [0,0,0,0,0,0|2,0,2]=4 74 B4R0.1 O=C(O)CBr LL0143 [0,0,0,0,0,0|2,0,1]=3 75 B4R0.1 O=C(O)CF LT5771 [0,0,0,0,0,0|2,0,1]=3 76 B4R0.1 O=C([O-])CCl LQ2589 [0,0,0,0,0,0|2,0,2]=4 77 B4R0.1 O=C([O-])CO LQ2283 [0,0,0,0,0,0|2,0,2]=4 78 B4R0.1 O=C([O-])CO XJ5448 [0,0,0,0,0,0|2,0,2]=4 79 B4R0.1 O=C([O-])CS HL2967 [0,0,0,0,0,0|2,0,2]=4 80 B4R0.1 O=C([O-])CS LQ1436 [0,0,0,0,0,0|2,0,2]=4 81 B4R0.1 O=C([O-])CS XJ0675 [0,0,0,0,0,0|2,0,2]=4 82 B4R0.1 O=C([O-])CS XJ6033 [0,0,0,0,0,0|2,0,2]=4 83 B4R0.1 O=CC(=O)O LL0641 [0,0,0,0,0,0|2,0,2]=4 84 B4R0.1 O=CC(=O)O LQ1072 [0,0,0,0,0,0|2,0,2]=4 85 B4R0.1 O=CC(Cl)Br RT17654 [0,0,0,0,0,0|3,0,1]=4 86 B4R0.1 O=CC(Cl)Cl RT1083 [0,0,0,0,0,0|3,0,1]=4 87 B4R0.1 O=[N+]([O-])CBr LQ1065 [0,0,0,0,0,0|3,0,1]=4 88 B4R0.1 O=[N+]([O-])CCl RT1188 [0,0,0,0,0,0|3,0,1]=4 89 B4R0.1 [2H]OC(C)=O XJ1316 [0,0,0,0,0,0|2,0,2]=4 90 B4R0.1 [C@@H](C)(O)CO LQ2624 [0,0,0,0,0,0|1,0,0]=1 91 B3R0.1 C#CCCl XJ1172 [1,0,0,0,0,0|1,0,2]=4 92 B3R0.1 C#CCN RT16379 [1,0,0,0,0,0|1,0,2]=4 93 B3R0.1 C#CCN XJ2196 [1,0,0,0,0,0|1,0,2]=4 94 B3R0.1 C=C=CC HL0077 [1,0,0,0,0,0|0,0,3]=4 95 B3R0.1 C=CCBr RT17399 [1,0,0,0,0,0|1,0,2]=4 96 B3R0.1 C=CCC HL1334 [1,0,0,0,0,0|0,0,2]=3 97 B3R0.1 C=CCI LQ1006 [1,0,0,0,0,0|1,0,2]=4 98 B3R0.1 C=CCN XJ6235 [1,0,0,0,0,0|1,0,2]=4 99 B3R0.1 C=CCO LT3384 [1,0,0,0,0,0|0,0,2]=3 100 B3R0.1 C=CCS LT3385 [1,0,0,0,0,0|0,1,2]=4 101 B3R0.1 CCC=S LT2311 [1,0,0,0,0,0|0,1,1]=3 102 B3R0.1 CCCCl XJ0925 [1,0,0,0,0,0|1,0,0]=2 103 B3R0.1 CCON LT7287 [1,0,0,0,0,0|2,0,0]=3 104 B3R0.1 CCSC XJ1178 [1,0,0,0,0,0|1,0,0]=2 105 B3R0.1 CN=C=O XJ1176 [1,0,0,0,0,0|1,0,2]=4 106 B3R0.1 CNOC LT1363 [1,0,0,0,0,0|2,0,0]=3 107 B3R0.1 COCCl RT17912 [1,0,0,0,0,0|2,0,0]=3 108 B3R0.1 CSC#N LQ1008 [1,0,0,0,0,0|2,0,1]=4 109 B3R0.1 CSCCl LQ2158 [1,0,0,0,0,0|2,0,0]=3 110 B3R0.1 C\C=N\O LT3638 [1,0,0,0,0,0|1,0,1]=3 111 B3R0.1 ClCCCl XJ5613 [1,0,0,0,0,0|2,0,0]=3 112 B3R0.1 FCCBr XJ1331 [1,0,0,0,0,0|2,0,0]=3 113 B3R0.1 N#CCI XJ1173 [1,0,0,0,0,0|2,0,1]=4 114 B3R0.1 N#CCN JZ2807 [1,0,0,0,0,0|2,0,1]=4 115 B3R0.1 N#CCN YH65552 [1,0,0,0,0,0|2,0,1]=4 116 B3R0.1 NCCCl XJ1403 [1,0,0,0,0,0|2,0,0]=3 117 B3R0.1 NCCN JZ1006 [1,0,0,0,0,0|2,0,0]=3 118 B3R0.1 NCCN JZ4960 [1,0,0,0,0,0|2,0,0]=3 119 B3R0.1 NCCN LT5412 [1,0,0,0,0,0|2,0,0]=3 120 B3R0.1 NCCN LT7506 [1,0,0,0,0,0|2,0,0]=3 121 B3R0.1 NCCN XJ4257 [1,0,0,0,0,0|2,0,0]=3 122 B3R0.1 NCCO XJ0576 [1,0,0,0,0,0|1,0,0]=2 123 B3R0.1 NCCS LL0054 [1,0,0,0,0,0|1,1,0]=3 124 B3R0.1 NCCS LQ0646 [1,0,0,0,0,0|1,1,0]=3 125 B3R0.1 OCCBr XJ0924 [1,0,0,0,0,0|1,0,0]=2 126 B3R0.1 OCCO LT7654 [1,0,0,0,0,0|1,0,0]=2 127 B3R0.1 [2H]OCC RT1050 [1,0,0,0,0,0|2,0,0]=3 128 B3R0.1 [Li]CCC LQ1980 [1,0,0,0,0,0|1,0,0]=2 129 B3R0.1 [O-]CC[O-] RT16375 [1,0,0,0,0,0|1,0,1]=3 130 B3R0.2 BrC(Br)I RT13513 [1,0,0,0,0,0|3,0,0]=4 131 B3R0.2 C(F)(Br)Br HL2045 [1,0,0,0,0,0|3,0,0]=4 132 B3R0.2 C=C(C)C HL1444 [1,0,0,0,0,0|1,0,1]=3 133 B3R0.2 C=C(C)Cl LQ1041 [1,0,0,0,0,0|1,0,2]=4 134 B3R0.2 C=[N+](C)C LQ4806 [1,0,0,0,0,0|2,0,0]=3 135 B3R0.2 CB(C)Br LQ2820 [1,0,0,0,0,0|2,0,0]=3 136 B3R0.2 CC(=N)N RT17426 [1,0,0,0,0,0|2,0,1]=4 137 B3R0.2 CC(=O)F LQ1042 [1,0,0,0,0,0|1,0,2]=4 138 B3R0.2 CC(=O)O JZ3704 [1,0,0,0,0,0|1,0,1]=3 139 B3R0.2 CC(=O)O XJ0034 [1,0,0,0,0,0|1,0,1]=3 140 B3R0.2 CC(=O)[O-] HL0535 [1,0,0,0,0,0|1,0,2]=4 141 B3R0.2 CC(=O)[O-] HL1089 [1,0,0,0,0,0|1,0,2]=4 142 B3R0.2 CC(=O)[O-] HL1536 [1,0,0,0,0,0|1,0,2]=4 143 B3R0.2 CC(=O)[O-] HL1556 [1,0,0,0,0,0|1,0,2]=4 144 B3R0.2 CC(=O)[O-] HL1980 [1,0,0,0,0,0|1,0,2]=4 145 B3R0.2 CC(=O)[O-] JZ2733 [1,0,0,0,0,0|1,0,2]=4 146 B3R0.2 CC(=O)[O-] JZ3035 [1,0,0,0,0,0|1,0,2]=4 147 B3R0.2 CC(=O)[O-] JZ4063 [1,0,0,0,0,0|1,0,2]=4 148 B3R0.2 CC(=O)[O-] JZ4064 [1,0,0,0,0,0|1,0,2]=4 149 B3R0.2 CC(=O)[O-] JZ5083 [1,0,0,0,0,0|1,0,2]=4 150 B3R0.2 CC(=O)[O-] JZ5622 [1,0,0,0,0,0|1,0,2]=4 151 B3R0.2 CC(=O)[O-] LL2757 [1,0,0,0,0,0|1,0,2]=4 152 B3R0.2 CC(=O)[O-] LQ1063 [1,0,0,0,0,0|1,0,2]=4 153 B3R0.2 CC(=O)[O-] LQ1064 [1,0,0,0,0,0|1,0,2]=4 154 B3R0.2 CC(=O)[O-] LQ1143 [1,0,0,0,0,0|1,0,2]=4 155 B3R0.2 CC(=O)[O-] LQ1294 [1,0,0,0,0,0|1,0,2]=4 156 B3R0.2 CC(=O)[O-] LQ1601 [1,0,0,0,0,0|1,0,2]=4 157 B3R0.2 CC(=O)[O-] LQ2985 [1,0,0,0,0,0|1,0,2]=4 158 B3R0.2 CC(=O)[O-] LQ3945 [1,0,0,0,0,0|1,0,2]=4 159 B3R0.2 CC(=O)[O-] LQ4020 [1,0,0,0,0,0|1,0,2]=4 160 B3R0.2 CC(=O)[O-] LQ5168 [1,0,0,0,0,0|1,0,2]=4 161 B3R0.2 CC(=O)[O-] LT7507 [1,0,0,0,0,0|1,0,2]=4 162 B3R0.2 CC(=O)[O-] LT7843 [1,0,0,0,0,0|1,0,2]=4 163 B3R0.2 CC(=O)[O-] XJ0536 [1,0,0,0,0,0|1,0,2]=4 164 B3R0.2 CC(=O)[O-] XJ0713 [1,0,0,0,0,0|1,0,2]=4 165 B3R0.2 CC(=O)[O-] XJ0970 [1,0,0,0,0,0|1,0,2]=4 166 B3R0.2 CC(=O)[O-] XJ2980 [1,0,0,0,0,0|1,0,2]=4 167 B3R0.2 CC(=O)[O-] YH65813 [1,0,0,0,0,0|1,0,2]=4 168 B3R0.2 CC(C)I LQ0090 [1,0,0,0,0,0|1,0,0]=2 169 B3R0.2 CC(C)S LQ0091 [1,0,0,0,0,0|0,1,0]=2 170 B3R0.2 CC(C)[O-] JZ4937 [1,0,0,0,0,0|0,0,1]=2 171 B3R0.2 CC(C)[O-] JZ5329 [1,0,0,0,0,0|0,0,1]=2 172 B3R0.2 CC(C)[O-] JZ5330 [1,0,0,0,0,0|0,0,1]=2 173 B3R0.2 CC(C)[O-] JZ5591 [1,0,0,0,0,0|0,0,1]=2 174 B3R0.2 CC(C)[O-] LL1978 [1,0,0,0,0,0|0,0,1]=2 175 B3R0.2 CC(C)[O-] LQ3154 [1,0,0,0,0,0|0,0,1]=2 176 B3R0.2 CC(C)[O-] LQ3155 [1,0,0,0,0,0|0,0,1]=2 177 B3R0.2 CC(C)[O-] LQ3188 [1,0,0,0,0,0|0,0,1]=2 178 B3R0.2 CC(C)[O-] LQ4092 [1,0,0,0,0,0|0,0,1]=2 179 B3R0.2 CC(C)[O-] XJ2702 [1,0,0,0,0,0|0,0,1]=2 180 B3R0.2 CC(C)[O-] XJ6011 [1,0,0,0,0,0|0,0,1]=2 181 B3R0.2 CC(Cl)Br LQ1089 [1,0,0,0,0,0|2,0,0]=3 182 B3R0.2 CC(Cl)Cl HL0746 [1,0,0,0,0,0|2,0,0]=3 183 B3R0.2 CC(Cl)Cl RT17620 [1,0,0,0,0,0|2,0,0]=3 184 B3R0.2 CC(F)F LQ0094 [1,0,0,0,0,0|2,0,0]=3 185 B3R0.2 CN(C)C JZ2219 [1,0,0,0,0,0|2,0,0]=3 186 B3R0.2 CP(C)C LL1775 [1,0,0,0,0,0|2,0,0]=3 187 B3R0.2 CS(C)=O XJ0069 [1,0,0,0,0,0|1,0,1]=3 188 B3R0.2 C[As](C)I RT5919 [1,0,0,0,0,0|2,0,0]=3 189 B3R0.2 C[As](I)I RT16135 [1,0,0,0,0,0|3,0,0]=4 190 B3R0.2 C[S+](C)C HL2475 [1,0,0,0,0,0|2,0,0]=3 191 B3R0.2 C[S+](C)C JZ1912 [1,0,0,0,0,0|2,0,0]=3 192 B3R0.2 C[SiH](C)C XJ1513 [1,0,0,0,0,0|1,1,0]=3 193 B3R0.2 C[Sn](C)=O HL2174 [1,0,0,0,0,0|1,0,1]=3 194 B3R0.2 ClC(Br)Br RT17718 [1,0,0,0,0,0|3,0,0]=4 195 B3R0.2 ClC(Br)I RT13512 [1,0,0,0,0,0|3,0,0]=4 196 B3R0.2 ClC(Cl)Br RT17719 [1,0,0,0,0,0|3,0,0]=4 197 B3R0.2 ClC(Cl)Cl XJ0068 [1,0,0,0,0,0|3,0,0]=4 198 B3R0.2 ClC(Cl)I RT13514 [1,0,0,0,0,0|3,0,0]=4 199 B3R0.2 ClC(I)I RT13516 [1,0,0,0,0,0|3,0,0]=4 200 B3R0.2 IC(I)I RT1156 [1,0,0,0,0,0|3,0,0]=4 201 B3R0.2 [13CH3][13C](N)=O RT4752 [1,0,0,0,0,0|1,0,2]=4 202 B5R0.1 BrCCC(Br)Br YH44143 [0,1,0,0,0,0|2,0,0]=3 203 B5R0.1 C#CCC(C)O LQ2032 [0,1,0,0,0,0|0,0,1]=2 204 B5R0.1 C#CCN(C)C LQ3198 [0,1,0,0,0,0|2,0,1]=4 205 B5R0.1 C(Cl)CC(=O)O CJ2142 [0,1,0,0,0,0|1,0,1]=3 206 B5R0.1 C=C(C)OCC LT1730 [0,1,0,0,0,0|1,0,1]=3 207 B5R0.1 C=CCC(C)C LQ1324 [0,1,0,0,0,0|1,0,1]=3 208 B5R0.1 C=CCC(C)O XJ1184 [0,1,0,0,0,0|0,0,1]=2 209 B5R0.1 C=CCN(C)C JZ1867 [0,1,0,0,0,0|2,0,1]=4 210 B5R0.1 CC#C[C@H](C)O HL4870 [0,1,0,0,0,0|0,0,1]=2 211 B5R0.1 CC(=O)CC#N HL2246 [0,1,0,0,0,0|0,0,3]=4 212 B5R0.1 CC(=O)CC=O XJ1186 [0,1,0,0,0,0|0,0,3]=4 213 B5R0.1 CC(=O)CCS XJ5155 [0,1,0,0,0,0|0,0,2]=3 214 B5R0.1 CC(Br)CCBr HL1367 [0,1,0,0,0,0|1,0,0]=2 215 B5R0.1 CC(C)=CCBr YH91045 [0,1,0,0,0,0|1,0,2]=4 216 B5R0.1 CC(C)=CCN YH33589 [0,1,0,0,0,0|1,0,2]=4 217 B5R0.1 CC(C)=CCO LT3091 [0,1,0,0,0,0|1,0,2]=4 218 B5R0.1 CC(C)CC#N XJ1183 [0,1,0,0,0,0|1,0,1]=3 219 B5R0.1 CC(C)CCCl HL1371 [0,1,0,0,0,0|1,0,0]=2 220 B5R0.1 CC(C)CCI XJ0935 [0,1,0,0,0,0|1,0,0]=2 221 B5R0.1 CC(C)N=C=O LT4097 [0,1,0,0,0,0|2,0,1]=4 222 B5R0.1 CC(C)OC=O XJ1196 [0,1,0,0,0,0|2,0,1]=4 223 B5R0.1 CC(O)CC=O HL1375 [0,1,0,0,0,0|0,0,1]=2 224 B5R0.1 CCCC(=O)[O-] XJ2982 [0,1,0,0,0,0|1,0,2]=4 225 B5R0.1 CCCC(C)C HL1370 [0,1,0,0,0,0|1,0,0]=2 226 B5R0.1 CCCC(C)C HL4500 [0,1,0,0,0,0|1,0,0]=2 227 B5R0.1 CCCC(N)=O XJ0937 [0,1,0,0,0,0|1,0,2]=4 228 B5R0.1 CCCC(N)=[NH2+] LX2780 [0,1,0,0,0,0|2,0,1]=4 229 B5R0.1 CCC[C@H](C)O LQ4668 [0,1,0,0,0,0|0,0,0]=1 230 B5R0.1 CCC[N+](=O)[O-] JZ5682 [0,1,0,0,0,0|2,0,1]=4 231 B5R0.1 CCC[N+](=O)[O-] LQ0374 [0,1,0,0,0,0|2,0,1]=4 232 B5R0.1 CCNC(C)=O XJ1192 [0,1,0,0,0,0|0,0,2]=3 233 B5R0.1 CCNC(N)=O XJ1194 [0,1,0,0,0,0|1,0,2]=4 234 B5R0.1 CCNC(N)=O XJ3539 [0,1,0,0,0,0|1,0,2]=4 235 B5R0.1 CCNC(N)=S XJ1195 [0,1,0,0,0,0|1,1,1]=4 236 B5R0.1 CCOC(=O)Cl XJ0938 [0,1,0,0,0,0|1,0,2]=4 237 B5R0.1 CCOC(=O)O XJ1147 [0,1,0,0,0,0|1,0,1]=3 238 B5R0.1 CCOC(=S)[S-] XJ0564 [0,1,0,0,0,0|1,1,1]=4 239 B5R0.1 CCOC(N)=O RT0197 [0,1,0,0,0,0|1,0,2]=4 240 B5R0.1 CCO[Si](=O)O JZ3510 [0,1,0,0,0,0|1,1,0]=3 241 B5R0.1 CCSC(=N)N RT19776 [0,1,0,0,0,0|2,0,1]=4 242 B5R0.1 CCSC(C)=O HL4138 [0,1,0,0,0,0|0,0,2]=3 243 B5R0.1 CCSC(C)=O XJ1197 [0,1,0,0,0,0|0,0,2]=3 244 B5R0.1 CC[NH2+]C(=N)N LQ2498 [0,1,0,0,0,0|2,0,1]=4 245 B5R0.1 CN(C)CCCl HL2802 [0,1,0,0,0,0|2,0,0]=3 246 B5R0.1 CN(C)CCN HL1382 [0,1,0,0,0,0|2,0,0]=3 247 B5R0.1 CN(C)CCO HL1383 [0,1,0,0,0,0|2,0,0]=3 248 B5R0.1 CN(C)CCS LT4952 [0,1,0,0,0,0|2,0,0]=3 249 B5R0.1 CNCC(=O)O JZ4055 [0,1,0,0,0,0|1,0,1]=3 250 B5R0.1 CNCC(=O)O RT0428 [0,1,0,0,0,0|1,0,1]=3 251 B5R0.1 CNCC(=O)[O-] JZ1762 [0,1,0,0,0,0|1,0,2]=4 252 B5R0.1 COCC(C)=O LT7464 [0,1,0,0,0,0|0,0,2]=3 253 B5R0.1 COCC(C)N XJ5266 [0,1,0,0,0,0|1,0,0]=2 254 B5R0.1 COC[C@H](C)N XJ6713 [0,1,0,0,0,0|1,0,0]=2 255 B5R0.1 CSCC(=N)N YH65419 [0,1,0,0,0,0|2,0,1]=4 256 B5R0.1 CSCC(=O)O XJ2185 [0,1,0,0,0,0|1,0,1]=3 257 B5R0.1 C[AlH3](C)C[Ti]Cl LL1155 [0,1,0,0,0,0|3,0,0]=4 258 B5R0.1 C[C@@H](N)CC#N YH66415 [0,1,0,0,0,0|1,0,1]=3 259 B5R0.1 C[C@@H](N)CCO RT0497 [0,1,0,0,0,0|1,0,0]=2 260 B5R0.1 C[C@@H](O)CCO SY0267 [0,1,0,0,0,0|0,0,0]=1 261 B5R0.1 C[C@H](N)CC#N YH66374 [0,1,0,0,0,0|1,0,1]=3 262 B5R0.1 C\C(Cl)=C\CCl LQ1508 [0,1,0,0,0,0|1,0,2]=4 263 B5R0.1 C\C(Cl)=C\CO RT17544 [0,1,0,0,0,0|1,0,2]=4 264 B5R0.1 C\C(I)=C/CO RT17534 [0,1,0,0,0,0|1,0,2]=4 265 B5R0.1 C\C=C\C(=O)O HL1378 [0,1,0,0,0,0|1,0,2]=4 266 B5R0.1 NC(=O)CCO RT17509 [0,1,0,0,0,0|1,0,2]=4 267 B5R0.1 NCCC(=O)O JZ0318 [0,1,0,0,0,0|1,0,1]=3 268 B5R0.1 NOCC(=O)O RT0527 [0,1,0,0,0,0|2,0,1]=4 269 B5R0.1 O=C(Cl)CCCl JZ0826 [0,1,0,0,0,0|1,0,2]=4 270 B5R0.1 O=C(O)CCBr HL0088 [0,1,0,0,0,0|1,0,1]=3 271 B5R0.1 O=C(O)CCS SY0092 [0,1,0,0,0,0|1,0,1]=3 272 B5R0.1 O=C([O-])CCO RT1268 [0,1,0,0,0,0|1,0,2]=4 273 B5R0.3 BrCC(Br)CBr LL0220 [0,1,0,0,0,0|2,0,0]=3 274 B5R0.3 C#CC(O)C#C LX2205 [0,1,0,0,0,0|0,0,3]=4 275 B5R0.3 C#CC(O)CC HL2704 [0,1,0,0,0,0|0,0,1]=2 276 B5R0.3 C=C(CC)CC XJ1324 [0,1,0,0,0,0|1,0,1]=3 277 B5R0.3 C=CC(C)CC XJ1323 [0,1,0,0,0,0|1,0,0]=2 278 B5R0.3 C=CC(O)C=C HL0553 [0,1,0,0,0,0|0,0,3]=4 279 B5R0.3 C=CC(O)CO RT18762 [0,1,0,0,0,0|0,0,2]=3 280 B5R0.3 C=C[C@@H](N)CO YH53874 [0,1,0,0,0,0|1,0,2]=4 281 B5R0.3 C=C[C@H](N)CO LX2169 [0,1,0,0,0,0|1,0,2]=4 282 B5R0.3 CC(CO)CO JZ1881 [0,1,0,0,0,0|1,0,0]=2 283 B5R0.3 CCC(=O)NC JZ4434 [0,1,0,0,0,0|0,0,2]=3 284 B5R0.3 CCC(Br)CC XJ1961 [0,1,0,0,0,0|1,0,0]=2 285 B5R0.3 CCC(C)C=O LL0224 [0,1,0,0,0,0|0,0,1]=2 286 B5R0.3 CCC(C)CBr LQ2987 [0,1,0,0,0,0|1,0,0]=2 287 B5R0.3 CCC(C)CBr LQ3410 [0,1,0,0,0,0|1,0,0]=2 288 B5R0.3 CCC(C)CC LL0223 [0,1,0,0,0,0|1,0,0]=2 289 B5R0.3 CCC(C)CCl LQ1182 [0,1,0,0,0,0|1,0,0]=2 290 B5R0.3 CCC(C)CO LL0587 [0,1,0,0,0,0|0,0,0]=1 291 B5R0.3 CCC(C)NC LQ3344 [0,1,0,0,0,0|1,0,0]=2 292 B5R0.3 CCC(Cl)CCl LQ1184 [0,1,0,0,0,0|1,0,0]=2 293 B5R0.3 CCC(N)CC LQ1186 [0,1,0,0,0,0|1,0,0]=2 294 B5R0.3 CCC(N)CO LL0227 [0,1,0,0,0,0|1,0,0]=2 295 B5R0.3 CCC(S)CS XJ4247 [0,1,0,0,0,0|0,1,0]=2 296 B5R0.3 CCN(C)CC LQ1190 [0,1,0,0,0,0|2,0,0]=3 297 B5R0.3 CCN(C)N=O RT17894 [0,1,0,0,0,0|1,0,1]=3 298 B5R0.3 CCN(O)CC HL2577 [0,1,0,0,0,0|1,0,0]=2 299 B5R0.3 CC[C@@H](C)CO LQ1183 [0,1,0,0,0,0|0,0,0]=1 300 B5R0.3 CC[C@@H](O)CO LQ5013 [0,1,0,0,0,0|0,0,0]=1 301 B5R0.3 CC[C@H](C)CBr LL0949 [0,1,0,0,0,0|1,0,0]=2 302 B5R0.3 CC[C@H](O)CO HL4502 [0,1,0,0,0,0|0,0,0]=1 303 B5R0.3 CC\C(C)=N\O LL0233 [0,1,0,0,0,0|0,0,1]=2 304 B5R0.3 COC(=O)CN RT5049 [0,1,0,0,0,0|1,0,2]=4 305 B5R0.3 COC(=O)OC LQ1189 [0,1,0,0,0,0|1,0,2]=4 306 B5R0.3 CS\C(C)=N/O RT1099 [0,1,0,0,0,0|1,0,1]=3 307 B5R0.3 C\C(=C/Br)CBr RT0636 [0,1,0,0,0,0|2,0,1]=4 308 B5R0.3 C\C(=C/Br)CO RT0550 [0,1,0,0,0,0|1,0,2]=4 309 B5R0.3 C\C=C(/C)C=O XJ0816 [0,1,0,0,0,0|0,0,3]=4 310 B5R0.3 N#CC(Br)CBr HL2792 [0,1,0,0,0,0|2,0,1]=4 311 B5R0.3 NC(CO)CO LL1303 [0,1,0,0,0,0|2,0,0]=3 312 B5R0.3 NCC(O)CN LQ1188 [0,1,0,0,0,0|1,0,0]=2 313 B5R0.3 NCC(O)CO JZ0486 [0,1,0,0,0,0|1,0,0]=2 314 B5R0.3 NC[C@H](O)CO YH09994 [0,1,0,0,0,0|1,0,0]=2 315 B5R0.3 NC[C@H](O)CO YH45696 [0,1,0,0,0,0|1,0,0]=2 316 B5R0.3 O=C(CBr)CBr LQ1454 [0,1,0,0,0,0|1,0,2]=4 317 B5R0.3 O=C(CF)CF CJ2432 [0,1,0,0,0,0|1,0,2]=4 318 B5R0.3 O=C(CI)CI RT0766 [0,1,0,0,0,0|1,0,2]=4 319 B5R0.3 O=C(CO)CO LL1029 [0,1,0,0,0,0|1,0,2]=4 320 B5R0.3 O=CC(Br)CBr LT1309 [0,1,0,0,0,0|2,0,1]=4 321 B5R0.3 O=CC(O)C=O RT17553 [0,1,0,0,0,0|1,0,2]=4 322 B5R0.3 O=C[C@H](O)CO LT7747 [0,1,0,0,0,0|1,0,1]=3 323 B5R0.3 OC(CBr)CBr LL0228 [0,1,0,0,0,0|1,0,0]=2 324 B5R0.3 OC(CCl)CCl LL0229 [0,1,0,0,0,0|1,0,0]=2 325 B5R0.3 OCC(Br)CBr LL0222 [0,1,0,0,0,0|2,0,0]=3 326 B5R0.3 OCC(Br)CO RT0384 [0,1,0,0,0,0|2,0,0]=3 327 B5R0.3 OCC(Cl)CCl LQ1185 [0,1,0,0,0,0|2,0,0]=3 328 B5R0.3 OCC(Cl)CO RT1084 [0,1,0,0,0,0|2,0,0]=3 329 B5R0.3 OCC(O)CBr RT0218 [0,1,0,0,0,0|1,0,0]=2 330 B5R0.3 OCC(O)CCl LL0230 [0,1,0,0,0,0|1,0,0]=2 331 B5R0.3 OCC(O)CI RT1254 [0,1,0,0,0,0|1,0,0]=2 332 B5R0.3 OCC(O)CO LT6375 [0,1,0,0,0,0|1,0,0]=2 333 B5R0.3 OCC(O)CO RT14397 [0,1,0,0,0,0|1,0,0]=2 334 B5R0.3 OCC(O)CO XJ4849 [0,1,0,0,0,0|1,0,0]=2 335 B5R0.3 OCC(O)CS LL0232 [0,1,0,0,0,0|1,0,0]=2 336 B5R0.3 OC[C@H](O)CBr YH33404 [0,1,0,0,0,0|1,0,0]=2 337 B5R0.3 OC[C@H](O)CCl LT5275 [0,1,0,0,0,0|1,0,0]=2 338 B5R0.3 O[13CH2][13CH](O)[13CH2]O RT1008 [0,1,0,0,0,0|1,0,0]=2 339 B5R0.4 BrCC(Br)(Br)Br JZ5646 [0,1,0,0,0,0|3,0,0]=4 340 B5R0.4 C#CC(C)(C)Br XJ3073 [0,1,0,0,0,0|1,0,2]=4 341 B5R0.4 C#CC(C)(C)C YH95703 [0,1,0,0,0,0|1,0,2]=4 342 B5R0.4 C#CC(C)(C)N XJ2319 [0,1,0,0,0,0|1,0,2]=4 343 B5R0.4 C#CC(C)(C)O HL1447 [0,1,0,0,0,0|0,0,2]=3 344 B5R0.4 C=CC(C)(C)O HL1446 [0,1,0,0,0,0|0,0,2]=3 345 B5R0.4 CC(C)(Br)CCl HL2125 [0,1,0,0,0,0|2,0,0]=3 346 B5R0.4 CC(C)(C)C=O RT1153 [0,1,0,0,0,0|2,0,1]=4 347 B5R0.4 CC(C)(C)CBr LQ1283 [0,1,0,0,0,0|2,0,0]=3 348 B5R0.4 CC(C)(C)CCl XJ1305 [0,1,0,0,0,0|2,0,0]=3 349 B5R0.4 CC(C)(C)CO LQ0123 [0,1,0,0,0,0|2,0,0]=3 350 B5R0.4 CC(C)(C)OCl RT17559 [0,1,0,0,0,0|3,0,0]=4 351 B5R0.4 CC(C)(F)CBr YH65172 [0,1,0,0,0,0|2,0,0]=3 352 B5R0.4 CC(C)(F)CO RT0499 [0,1,0,0,0,0|2,0,0]=3 353 B5R0.4 CC(C)(N)CO LT0229 [0,1,0,0,0,0|2,0,0]=3 354 B5R0.4 CC(C)(O)CBr RT16393 [0,1,0,0,0,0|1,0,0]=2 355 B5R0.4 CC(C)(O)CCl LQ1048 [0,1,0,0,0,0|1,0,0]=2 356 B5R0.4 CC(C)(O)CO RT1147 [0,1,0,0,0,0|1,0,0]=2 357 B5R0.4 CC(C)(S)CN LX2484 [0,1,0,0,0,0|1,1,0]=3 358 B5R0.4 CC(F)(F)CO YH55117 [0,1,0,0,0,0|2,0,0]=3 359 B5R0.4 CCC(C)(C)Cl LQ1095 [0,1,0,0,0,0|1,0,0]=2 360 B5R0.4 CCC(C)(C)N LQ1096 [0,1,0,0,0,0|1,0,0]=2 361 B5R0.4 CCC(C)(C)[O-] LL2022 [0,1,0,0,0,0|0,0,1]=2 362 B5R0.4 CCC(C)(Cl)Cl LQ2644 [0,1,0,0,0,0|1,0,0]=2 363 B5R0.4 CCC(Cl)(Cl)Cl XJ4875 [0,1,0,0,0,0|2,0,0]=3 364 B5R0.4 CCP(=O)(Cl)Cl LQ1608 [0,1,0,0,0,0|2,0,1]=4 365 B5R0.4 CCP(=O)([O-])[O-] LT5219 [0,1,0,0,0,0|2,0,1]=4 366 B5R0.4 CCS(=O)(=O)O LQ1100 [0,1,0,0,0,0|2,0,0]=3 367 B5R0.4 CCS(=O)(=O)[O-] JZ2711 [0,1,0,0,0,0|2,0,1]=4 368 B5R0.4 CCS(C)(=O)=O LQ1098 [0,1,0,0,0,0|1,0,1]=3 369 B5R0.4 CCS(N)(=O)=O LQ1828 [0,1,0,0,0,0|2,0,1]=4 370 B5R0.4 CNS(C)(=O)=O JZ4425 [0,1,0,0,0,0|2,0,1]=4 371 B5R0.4 CSC(C)(C)C XJ3040 [0,1,0,0,0,0|2,0,0]=3 372 B5R0.4 C[N+](C)(C)CI XJ5407 [0,1,0,0,0,0|3,0,0]=4 373 B5R0.4 C[Si](C)(C)CCl LT7112 [0,1,0,0,0,0|2,1,0]=4 374 B5R0.4 C[Si](C)(C)CN YH41576 [0,1,0,0,0,0|2,1,0]=4 375 B5R0.4 C[Si](C)(Cl)CCl LT7108 [0,1,0,0,0,0|2,1,0]=4 376 B5R0.4 ClC(Cl)(Br)CBr LQ0121 [0,1,0,0,0,0|3,0,0]=4 377 B5R0.4 ClCC(Cl)(Cl)Cl XJ0082 [0,1,0,0,0,0|3,0,0]=4 378 B5R0.4 NCC(F)(F)F XJ0721 [0,1,0,0,0,0|3,0,0]=4 379 B5R0.4 NCC(F)(F)F XJ1306 [0,1,0,0,0,0|3,0,0]=4 380 B5R0.4 NCP(=O)(O)O LQ1609 [0,1,0,0,0,0|3,0,0]=4 381 B5R0.4 NCS(=O)(=O)O SY0138 [0,1,0,0,0,0|3,0,0]=4 382 B5R0.4 OCC(Br)(Br)Br JZ4523 [0,1,0,0,0,0|3,0,0]=4 383 B5R0.4 OCC(Br)(Br)Br LQ0120 [0,1,0,0,0,0|3,0,0]=4 384 B5R0.4 OCC(F)(F)F LQ0127 [0,1,0,0,0,0|3,0,0]=4 385 B5R0.4 [2H]OC(C)(C)C RT17778 [0,1,0,0,0,0|3,0,0]=4 386 B5R0.5 BrC(Br)C(Br)Br XJ0078 [0,1,0,0,0,0|3,0,0]=4 387 B5R0.5 C=C(C)C(=O)O XJ0087 [0,1,0,0,0,0|1,0,2]=4 388 B5R0.5 C=C(C)C(C)=O LQ1438 [0,1,0,0,0,0|0,0,3]=4 389 B5R0.5 C=C(C)C(C)C LQ1068 [0,1,0,0,0,0|1,0,1]=3 390 B5R0.5 CC(=O)C(C)=O RT1203 [0,1,0,0,0,0|0,0,3]=4 391 B5R0.5 CC(=O)C(C)Br LQ1437 [0,1,0,0,0,0|0,0,2]=3 392 B5R0.5 CC(=O)C(C)S LT2609 [0,1,0,0,0,0|0,0,2]=3 393 B5R0.5 CC(=O)C(Cl)Cl HL1927 [0,1,0,0,0,0|1,0,2]=4 394 B5R0.5 CC(=O)N(C)C LT7398 [0,1,0,0,0,0|1,0,2]=4 395 B5R0.5 CC(=S)N(C)C LQ1296 [0,1,0,0,0,0|1,1,1]=4 396 B5R0.5 CC(Br)C(=O)O LQ1147 [0,1,0,0,0,0|1,0,1]=3 397 B5R0.5 CC(C)=C(C)C LQ1069 [0,1,0,0,0,0|1,0,2]=4 398 B5R0.5 CC(C)B(O)O XJ6433 [0,1,0,0,0,0|2,0,0]=3 399 B5R0.5 CC(C)C(=O)[O-] JZ5651 [0,1,0,0,0,0|1,0,2]=4 400 B5R0.5 CC(C)C(=O)[O-] YH98974 [0,1,0,0,0,0|1,0,2]=4 401 B5R0.5 CC(C)C(C)C XJ0079 [0,1,0,0,0,0|1,0,0]=2 402 B5R0.5 CC(C)C(C)N LQ1148 [0,1,0,0,0,0|1,0,0]=2 403 B5R0.5 CC(C)C(C)O LQ1149 [0,1,0,0,0,0|0,0,0]=1 404 B5R0.5 CC(C)C(C)S HL2141 [0,1,0,0,0,0|0,1,0]=2 405 B5R0.5 CC(C)C(N)=O LQ1071 [0,1,0,0,0,0|1,0,2]=4 406 B5R0.5 CC(C)N(=O)=O XJ0090 [0,1,0,0,0,0|2,0,1]=4 407 B5R0.5 CC(O)C(=O)[O-] HL1943 [0,1,0,0,0,0|1,0,1]=3 408 B5R0.5 CC(O)C(=O)[O-] LT7892 [0,1,0,0,0,0|1,0,1]=3 409 B5R0.5 CC(O)C(=O)[O-] XJ1528 [0,1,0,0,0,0|1,0,1]=3 410 B5R0.5 CC(O)C(C)O HL1925 [0,1,0,0,0,0|0,0,0]=1 411 B5R0.5 CC(O)C(C)O HL3363 [0,1,0,0,0,0|0,0,0]=1 412 B5R0.5 CC(O)C(C)S LT3134 [0,1,0,0,0,0|0,0,0]=1 413 B5R0.5 CC(S)C(C)S HL2771 [0,1,0,0,0,0|0,1,0]=2 414 B5R0.5 CN(O)C(N)=O RT18824 [0,1,0,0,0,0|2,0,1]=4 415 B5R0.5 C[C@@H](Cl)C(=O)O XJ3332 [0,1,0,0,0,0|1,0,1]=3 416 B5R0.5 C[C@H](N)C(=O)O JZ0471 [0,1,0,0,0,0|1,0,1]=3 417 B5R0.5 C[C@H](N)C(N)=O LQ3255 [0,1,0,0,0,0|1,0,2]=4 418 B5R0.5 C[C@H](N)C(N)=O RT5023 [0,1,0,0,0,0|1,0,2]=4 419 B5R0.5 C[C@H](O)C(=O)O XJ1388 [0,1,0,0,0,0|1,0,1]=3 420 B5R0.5 C[C@H](O)C(=O)[O-] HL4794 [0,1,0,0,0,0|1,0,1]=3 421 B5R0.5 C[C@H](O)[C@H](C)O JZ5301 [0,1,0,0,0,0|0,0,0]=1 422 B5R0.5 O=C(O)C(Br)I RT0702 [0,1,0,0,0,0|2,0,1]=4 423 B5R0.5 O=C(O)C(Cl)Br JZ2788 [0,1,0,0,0,0|2,0,1]=4 424 B5R0.5 O=C(O)C(Cl)Cl LT7767 [0,1,0,0,0,0|2,0,1]=4 425 B5R0.5 O=C(O)C(Cl)I RT0646 [0,1,0,0,0,0|2,0,1]=4 426 B5R0.5 O=C(O)C(I)I RT0771 [0,1,0,0,0,0|2,0,1]=4 427 B5R1.2 BrC1CCC1 LT7156 [0,0,0,1,0,0|1,0,0]=2 428 B5R1.2 FC1CNC1 RT4119 [0,0,0,1,0,0|2,0,0]=3 429 B5R1.2 FC1CNC1 YH65878 [0,0,0,1,0,0|2,0,0]=3 430 B5R1.2 IC1COC1 YH65509 [0,0,0,1,0,0|2,0,0]=3 431 B5R1.2 NC1COC1 LQ4263 [0,0,0,1,0,0|2,0,0]=3 432 B5R1.2 NC1COC1 YH65543 [0,0,0,1,0,0|2,0,0]=3 433 B5R1.2 O=C1CCC1 LT7155 [0,0,0,1,0,0|0,0,2]=3 434 B5R1.2 O=C1CNC1 LQ4009 [0,0,0,1,0,0|1,0,2]=4 435 B5R1.2 O=C1COC1 LQ3137 [0,0,0,1,0,0|1,0,2]=4 436 B5R1.2 O=C1CSC1 YH65134 [0,0,0,1,0,0|1,0,2]=4 437 B5R1.2 OC1CCC1 JZ2141 [0,0,0,1,0,0|0,0,0]=1 438 B5R1.2 OC1CNC1 LQ5145 [0,0,0,1,0,0|1,0,0]=2 439 B5R1.2 OC1CNC1 LX2402 [0,0,0,1,0,0|1,0,0]=2 440 B5R1.2 OC1COC1 JZ3200 [0,0,0,1,0,0|1,0,0]=2 441 B5R1.3 BrCC1CC1 LT6195 [0,0,0,1,0,0|2,0,0]=3 442 B5R1.3 BrCC1CO1 LQ2403 [0,0,0,1,0,0|1,0,0]=2 443 B5R1.3 Br[Mg]C1CC1 XJ4727 [0,0,0,1,0,0|3,0,0]=4 444 B5R1.3 C=CC1CO1 LQ1542 [0,0,0,1,0,0|0,0,2]=3 445 B5R1.3 CNC1CC1 YH13207 [0,0,0,1,0,0|2,0,0]=3 446 B5R1.3 ClCC1CO1 RT15055 [0,0,0,1,0,0|1,0,0]=2 447 B5R1.3 ClC[C@H]1CO1 LQ5216 [0,0,0,1,0,0|1,0,0]=2 448 B5R1.3 N#CC1CO1 RT14822 [0,0,0,1,0,0|1,0,1]=3 449 B5R1.3 NCC1CC1 HL2308 [0,0,0,1,0,0|2,0,0]=3 450 B5R1.3 O=CC1CC1 HL0901 [0,0,0,1,0,0|2,0,1]=4 451 B5R1.3 OCC1CC1 LT7741 [0,0,0,1,0,0|2,0,0]=3 452 B5R1.3 OC[C@@H]1CO1 XJ5771 [0,0,0,1,0,0|1,0,0]=2 453 B5R1.3 [C@H]1(CO)CO1 XJ5900 [0,0,0,1,0,0|1,0,0]=2 454 B5R1.4 CC1OC1C XJ2416 [0,0,0,1,0,0|0,0,0]=1 455 B5R1.4 C[C@@H]1O[C@@H]1C XJ1886 [0,0,0,1,0,0|0,0,0]=1 456 B2R0.1 CC#N LL1068 [2,0,0,0,0,0|1,0,1]=4 457 B2R0.1 CC#N LQ3779 [2,0,0,0,0,0|1,0,1]=4 458 B2R0.1 CC=O LQ0081 [2,0,0,0,0,0|0,0,2]=4 459 B2R0.1 CCN LQ1083 [2,0,0,0,0,0|1,0,0]=3 460 B2R0.1 CCS LQ0071 [2,0,0,0,0,0|0,1,0]=3 461 B2R0.1 CC[O-] HL0532 [2,0,0,0,0,0|0,0,1]=3 462 B2R0.1 CC[O-] HL2878 [2,0,0,0,0,0|0,0,1]=3 463 B2R0.1 CC[O-] HL4901 [2,0,0,0,0,0|0,0,1]=3 464 B2R0.1 CC[O-] JZ1966 [2,0,0,0,0,0|0,0,1]=3 465 B2R0.1 CC[O-] JZ2286 [2,0,0,0,0,0|0,0,1]=3 466 B2R0.1 CC[O-] JZ4882 [2,0,0,0,0,0|0,0,1]=3 467 B2R0.1 CC[O-] XJ5943 [2,0,0,0,0,0|0,0,1]=3 468 B2R0.1 CSC JZ3723 [2,0,0,0,0,0|1,0,0]=3 469 B2R0.1 C[Hg]O LQ1729 [2,0,0,0,0,0|1,0,0]=3 470 B2R0.1 C[N-]C JZ2361 [2,0,0,0,0,0|1,0,0]=3 471 B2R0.1 C[Se]C LQ1086 [2,0,0,0,0,0|1,0,0]=3 472 B2R0.1 C[SiH2]Cl XJ1512 [2,0,0,0,0,0|1,1,0]=4 473 B2R0.1 ClCBr RT13506 [2,0,0,0,0,0|2,0,0]=4 474 B2R0.1 FCI RT17533 [2,0,0,0,0,0|2,0,0]=4 475 B2R0.1 NCN XJ5787 [2,0,0,0,0,0|2,0,0]=4 476 B2R0.1 O=CO JZ5436 [2,0,0,0,0,0|1,0,1]=4 477 B4R0.2 C#CCCC HL0250 [1,1,0,0,0,0|0,0,1]=3 478 B4R0.2 C#CCCO LT6746 [1,1,0,0,0,0|0,0,1]=3 479 B4R0.2 C#CCNC RT0490 [1,1,0,0,0,0|0,0,2]=4 480 B4R0.2 C=CCCBr LQ2822 [1,1,0,0,0,0|0,0,2]=4 481 B4R0.2 C=CCCN LQ2198 [1,1,0,0,0,0|0,0,2]=4 482 B4R0.2 C=CCOC HL0257 [1,1,0,0,0,0|0,0,2]=4 483 B4R0.2 CC#CCO XJ1336 [1,1,0,0,0,0|0,0,1]=3 484 B4R0.2 CCCCN LQ2553 [1,1,0,0,0,0|0,0,0]=2 485 B4R0.2 CCCCS LL0387 [1,1,0,0,0,0|0,0,0]=2 486 B4R0.2 CCCC[O-] HL2476 [1,1,0,0,0,0|0,0,0]=2 487 B4R0.2 CCCC[O-] LQ4485 [1,1,0,0,0,0|0,0,0]=2 488 B4R0.2 CCC[Mg]Br LQ1517 [1,1,0,0,0,0|1,0,0]=3 489 B4R0.2 CCC[Mg]Cl XJ2093 [1,1,0,0,0,0|1,0,0]=3 490 B4R0.2 CCC[Zn-]Br HL3580 [1,1,0,0,0,0|1,0,0]=3 491 B4R0.2 CCOC=N LQ3955 [1,1,0,0,0,0|1,0,1]=4 492 B4R0.2 CCOC=O LL0396 [1,1,0,0,0,0|0,0,2]=4 493 B4R0.2 CCOCC LL1197 [1,1,0,0,0,0|0,0,0]=2 494 B4R0.2 CCOCC XJ5008 [1,1,0,0,0,0|0,0,0]=2 495 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|1,0,0]=3 497 B4R0.2 CC[AlH3+]CC LL0219 [1,1,0,0,0,0|0,0,0]=2 498 B4R0.2 CC[N-]CC RT4825 [1,1,0,0,0,0|0,0,0]=2 499 B4R0.2 CC[NH2+]CC XJ6105 [1,1,0,0,0,0|0,0,0]=2 500 B4R0.2 CC[Se]CC RT0534 [1,1,0,0,0,0|0,0,0]=2 501 B4R0.2 CNCCCl RT4724 [1,1,0,0,0,0|1,0,0]=3 502 B4R0.2 CNCCCl YH54353 [1,1,0,0,0,0|1,0,0]=3 503 B4R0.2 CNCCN LL0389 [1,1,0,0,0,0|1,0,0]=3 504 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|1,0,0]=3 506 B4R0.2 COCCO XJ3502 [1,1,0,0,0,0|0,0,0]=2 507 B4R0.2 CSCC=O JZ5555 [1,1,0,0,0,0|0,0,2]=4 508 B4R0.2 CSCCO JZ2661 [1,1,0,0,0,0|0,0,0]=2 509 B4R0.2 CSSSC LT5322 [1,1,0,0,0,0|2,0,0]=4 510 B4R0.2 C\C=C/CO YH00287 [1,1,0,0,0,0|0,0,1]=3 511 B4R0.2 C\C=C\CC XJ1213 [1,1,0,0,0,0|0,0,1]=3 512 B4R0.2 C\C=C\CCl HL0110 [1,1,0,0,0,0|0,0,2]=4 513 B4R0.2 C\C=C\CN YH07653 [1,1,0,0,0,0|0,0,2]=4 514 B4R0.2 ClCCCI JZ3062 [1,1,0,0,0,0|1,0,0]=3 515 B4R0.2 FCCCBr SY0223 [1,1,0,0,0,0|1,0,0]=3 516 B4R0.2 N#CCCBr JZ2023 [1,1,0,0,0,0|1,0,1]=4 517 B4R0.2 N#CCCO RT1105 [1,1,0,0,0,0|0,0,1]=3 518 B4R0.2 NCCCBr HL2839 [1,1,0,0,0,0|1,0,0]=3 519 B4R0.2 NCCCCl LT6768 [1,1,0,0,0,0|1,0,0]=3 520 B4R0.2 NCCON RT0317 [1,1,0,0,0,0|1,0,0]=3 521 B4R0.2 NNCCO LT2306 [1,1,0,0,0,0|1,0,0]=3 522 B4R0.2 OCCCBr HL0249 [1,1,0,0,0,0|0,0,0]=2 523 B4R0.2 OCCCI HL0254 [1,1,0,0,0,0|0,0,0]=2 524 B4R0.2 OCCCO XJ0879 [1,1,0,0,0,0|0,0,0]=2 525 B4R0.2 SCCCS LL0388 [1,1,0,0,0,0|0,1,0]=3 526 B4R0.3 CC(C)(Br)Br LQ1091 [1,1,0,0,0,0|1,0,0]=3 527 B4R0.3 CC(C)(C)Br HL1886 [1,1,0,0,0,0|1,0,0]=3 528 B4R0.3 CC(C)(C)I LQ1044 [1,1,0,0,0,0|1,0,0]=3 529 B4R0.3 CC(C)(C)N LQ0109 [1,1,0,0,0,0|1,0,0]=3 530 B4R0.3 CC(C)(C)S LQ0111 [1,1,0,0,0,0|0,1,0]=3 531 B4R0.3 CC(C)(C)[O-] YH42977 [1,1,0,0,0,0|0,0,1]=3 532 B4R0.3 CC(C)(C)[O-] YH90670 [1,1,0,0,0,0|0,0,1]=3 533 B4R0.3 CC(Cl)(Cl)Cl HL1090 [1,1,0,0,0,0|2,0,0]=4 534 B4R0.3 CC(Cl)(Cl)Cl JZ5685 [1,1,0,0,0,0|2,0,0]=4 535 B4R0.3 CC(F)(F)Cl LQ0112 [1,1,0,0,0,0|2,0,0]=4 536 B4R0.3 CP(C)(=O)Cl XJ1549 [1,1,0,0,0,0|1,0,1]=4 537 B4R0.3 CP(C)(=S)Cl XJ1515 [1,1,0,0,0,0|1,1,0]=4 538 B4R0.3 CP(C)(C)=O HL0340 [1,1,0,0,0,0|1,0,1]=4 539 B4R0.3 CP(C)(C)=S JZ2008 [1,1,0,0,0,0|1,1,0]=4 540 B4R0.3 CS(C)(=O)=S YH20749 [1,1,0,0,0,0|1,0,1]=4 541 B4R0.3 C[As+](C)(C)C RT1258 [1,1,0,0,0,0|2,0,0]=4 542 B4R0.3 C[As](C)(=O)[O-] LT7052 [1,1,0,0,0,0|1,0,1]=4 543 B4R0.3 C[As](C)(=O)[O-] XJ3003 [1,1,0,0,0,0|1,0,1]=4 544 B4R0.3 C[As](C)(C)=O RT18761 [1,1,0,0,0,0|1,0,1]=4 545 B4R0.3 C[Ge](C)(C)C XJ1380 [1,1,0,0,0,0|1,1,0]=4 546 B4R0.3 C[N+](C)(C)C HL3369 [1,1,0,0,0,0|2,0,0]=4 547 B4R0.3 C[N+](C)(C)C HL4142 [1,1,0,0,0,0|2,0,0]=4 548 B4R0.3 C[N+](C)(C)C JZ1791 [1,1,0,0,0,0|2,0,0]=4 549 B4R0.3 C[N+](C)(C)C JZ3462 [1,1,0,0,0,0|2,0,0]=4 550 B4R0.3 C[N+](C)(C)C JZ4899 [1,1,0,0,0,0|2,0,0]=4 551 B4R0.3 C[N+](C)(C)C JZ5137 [1,1,0,0,0,0|2,0,0]=4 552 B4R0.3 C[N+](C)(C)C LL1382 [1,1,0,0,0,0|2,0,0]=4 553 B4R0.3 C[N+](C)(C)C LL2539 [1,1,0,0,0,0|2,0,0]=4 554 B4R0.3 C[N+](C)(C)C LQ2217 [1,1,0,0,0,0|2,0,0]=4 555 B4R0.3 C[N+](C)(C)C LQ3412 [1,1,0,0,0,0|2,0,0]=4 556 B4R0.3 C[N+](C)(C)C LQ3869 [1,1,0,0,0,0|2,0,0]=4 557 B4R0.3 C[N+](C)(C)C LT7161 [1,1,0,0,0,0|2,0,0]=4 558 B4R0.3 C[N+](C)(C)C XJ0720 [1,1,0,0,0,0|2,0,0]=4 559 B4R0.3 C[N+](C)(C)C XJ1286 [1,1,0,0,0,0|2,0,0]=4 560 B4R0.3 C[N+](C)(C)C XJ6647 [1,1,0,0,0,0|2,0,0]=4 561 B4R0.3 C[N+](C)(C)C XJ6806 [1,1,0,0,0,0|2,0,0]=4 562 B4R0.3 C[P+](C)(C)C HL2758 [1,1,0,0,0,0|2,0,0]=4 563 B4R0.3 C[S+](C)(C)=O HL2856 [1,1,0,0,0,0|1,0,1]=4 564 B4R0.3 C[S+](C)(C)=O XJ1911 [1,1,0,0,0,0|1,0,1]=4 565 B4R0.3 C[S+](C)(C)=O XJ4842 [1,1,0,0,0,0|1,0,1]=4 566 B4R0.3 C[Si](C)(C)Cl JZ1345 [1,1,0,0,0,0|1,1,0]=4 567 B4R0.3 C[Si](C)(C)I JZ1572 [1,1,0,0,0,0|1,1,0]=4 568 B4R0.3 C[Si](C)(Cl)Cl LQ0118 [1,1,0,0,0,0|1,1,0]=4 569 B4R0.3 C[Si](C)(O)O RT18565 [1,1,0,0,0,0|0,1,0]=3 570 B4R0.3 C[Sn](C)(Br)Br HL2337 [1,1,0,0,0,0|2,0,0]=4 571 B4R0.3 C[Sn](C)(C)Br LQ1606 [1,1,0,0,0,0|2,0,0]=4 572 B4R0.3 C[Sn](C)(C)C LQ1093 [1,1,0,0,0,0|2,0,0]=4 573 B4R0.3 C[Sn](C)(C)O LQ0041 [1,1,0,0,0,0|1,0,0]=3 574 B4R0.3 C[Sn](C)(Cl)Cl XJ1304 [1,1,0,0,0,0|2,0,0]=4 575 B6R0.1 BrCCC(Br)CBr LQ4943 [0,2,0,0,0,0|1,0,0]=3 576 B6R0.1 C#CC(C)CCC LQ5005 [0,2,0,0,0,0|1,0,0]=3 577 B6R0.1 C#CC(O)CCC XJ0311 [0,2,0,0,0,0|0,0,1]=3 578 B6R0.1 C(Cl)CC(=O)OC LT5092 [0,2,0,0,0,0|0,0,2]=4 579 B6R0.1 C=CC(N)CCO YH91593 [0,2,0,0,0,0|1,0,1]=4 580 B6R0.1 C=CCC(O)C=C LQ1497 [0,2,0,0,0,0|0,0,2]=4 581 B6R0.1 C=COC(=O)CC XJ0313 [0,2,0,0,0,0|1,0,1]=4 582 B6R0.1 CCC(=O)CSC JZ4808 [0,2,0,0,0,0|0,0,2]=4 583 B6R0.1 CCC(C)CC=O JZ5060 [0,2,0,0,0,0|0,0,1]=3 584 B6R0.1 CCC(C)CCO HL0061 [0,2,0,0,0,0|0,0,0]=2 585 B6R0.1 CCC(C)CCO LL2797 [0,2,0,0,0,0|0,0,0]=2 586 B6R0.1 CCC(C)CCO LQ4221 [0,2,0,0,0,0|0,0,0]=2 587 B6R0.1 CCCC(=O)CC HL0062 [0,2,0,0,0,0|0,0,2]=4 588 B6R0.1 CCCC(=O)OC XJ1144 [0,2,0,0,0,0|0,0,2]=4 589 B6R0.1 CCCC(=O)SC XJ2150 [0,2,0,0,0,0|0,0,2]=4 590 B6R0.1 CCCC(Br)CBr JZ2283 [0,2,0,0,0,0|1,0,0]=3 591 B6R0.1 CCCC(C)C#N YH11272 [0,2,0,0,0,0|1,0,0]=3 592 B6R0.1 CCCC(C)CC HL0060 [0,2,0,0,0,0|1,0,0]=3 593 B6R0.1 CCC\C(N)=N\O XJ4957 [0,2,0,0,0,0|1,0,1]=4 594 B6R0.1 CCOC(=O)CBr JZ0369 [0,2,0,0,0,0|0,0,2]=4 595 B6R0.1 CCOC(=O)CN JZ1544 [0,2,0,0,0,0|0,0,2]=4 596 B6R0.1 CCOC(=O)NO HL0063 [0,2,0,0,0,0|1,0,1]=4 597 B6R0.1 CCOC(=O)[13CH2]N RT5563 [0,2,0,0,0,0|0,0,2]=4 598 B6R0.1 CCO\C(C)=N\O JZ3459 [0,2,0,0,0,0|0,0,1]=3 599 B6R0.1 CCSC(=O)CC LT5718 [0,2,0,0,0,0|0,0,2]=4 600 B6R0.1 CC\C=C(/C)C=O XJ1141 [0,2,0,0,0,0|0,0,2]=4 601 B6R0.1 CNCC(=O)OC JZ4592 [0,2,0,0,0,0|0,0,2]=4 602 B6R0.1 CNCC(O)CO LT2424 [0,2,0,0,0,0|0,0,0]=2 603 B6R0.1 COC(=O)CCN LT4189 [0,2,0,0,0,0|0,0,2]=4 604 B6R0.1 COC(=O)CCS JZ2165 [0,2,0,0,0,0|0,0,2]=4 605 B6R0.1 COCC(O)CCl HL2667 [0,2,0,0,0,0|0,0,0]=2 606 B6R0.1 COCC(O)CO LT2370 [0,2,0,0,0,0|0,0,0]=2 607 B6R0.1 COC[C@@H](N)CO LX2569 [0,2,0,0,0,0|1,0,0]=3 608 B6R0.1 CSC(C)CC=O LT2625 [0,2,0,0,0,0|0,1,1]=4 609 B6R0.1 N#CC[C@H](O)CCl LQ5539 [0,2,0,0,0,0|0,0,1]=3 610 B6R0.1 N[C@H](CS)CCS RT1463 [0,2,0,0,0,0|1,0,0]=3 611 B6R0.1 OCC[C@@H](O)CO YH14636 [0,2,0,0,0,0|0,0,0]=2 612 B6R0.1 OCC[C@H](O)CO LQ5089 [0,2,0,0,0,0|0,0,0]=2 613 B6R0.2 CC(=O)CC(C)=O LQ3994 [0,2,0,0,0,0|0,0,2]=4 614 B6R0.2 CC(=O)CC(C)=O XJ0505 [0,2,0,0,0,0|0,0,2]=4 615 B6R0.2 CC(=O)CC(C)C LQ0378 [0,2,0,0,0,0|1,0,0]=3 616 B6R0.2 CC(=O)OC(C)Br LQ5001 [0,2,0,0,0,0|0,0,2]=4 617 B6R0.2 CC(=O)OC(C)C LQ0385 [0,2,0,0,0,0|0,0,2]=4 618 B6R0.2 CC(Br)CC(=O)O JZ2085 [0,2,0,0,0,0|1,0,1]=4 619 B6R0.2 CC(C)CB(O)O XJ6479 [0,2,0,0,0,0|2,0,0]=4 620 B6R0.2 CC(C)CC(=O)O XJ0871 [0,2,0,0,0,0|1,0,1]=4 621 B6R0.2 CC(C)CC(C)C LQ0376 [0,2,0,0,0,0|1,0,0]=3 622 B6R0.2 CC(C)CC(C)N XJ6268 [0,2,0,0,0,0|1,0,0]=3 623 B6R0.2 CC(C)CC(N)=O XJ0939 [0,2,0,0,0,0|1,0,1]=4 624 B6R0.2 CC(C)C[C@H](C)O JZ4964 [0,2,0,0,0,0|0,0,0]=2 625 B6R0.2 CC(C)NC(C)C YH12518 [0,2,0,0,0,0|1,0,0]=3 626 B6R0.2 CC(Cl)CN(C)C HL0587 [0,2,0,0,0,0|1,0,0]=3 627 B6R0.2 CC(Cl)CN(C)C HL2803 [0,2,0,0,0,0|1,0,0]=3 628 B6R0.2 CC(N)CC(=O)O JZ1398 [0,2,0,0,0,0|1,0,1]=4 629 B6R0.2 CC(O)CC(=O)O LL0657 [0,2,0,0,0,0|0,0,1]=3 630 B6R0.2 CC(O)CC(=O)[O-] LQ0611 [0,2,0,0,0,0|0,0,1]=3 631 B6R0.2 CC(O)CC(=O)[O-] YH53256 [0,2,0,0,0,0|0,0,1]=3 632 B6R0.2 CC(O)CC(C)O XJ1198 [0,2,0,0,0,0|0,0,0]=2 633 B6R0.2 CP(C)CP(C)C HL4244 [0,2,0,0,0,0|2,0,0]=4 634 B6R0.2 C[C@@H](N)CC(=O)O HL2631 [0,2,0,0,0,0|1,0,1]=4 635 B6R0.2 C[C@H](N)CC(=O)O HL2630 [0,2,0,0,0,0|1,0,1]=4 636 B6R0.2 C[C@H](N)CC(=O)O LQ5428 [0,2,0,0,0,0|1,0,1]=4 637 B6R0.2 C[C@H](N)CC(=O)O YH57972 [0,2,0,0,0,0|1,0,1]=4 638 B6R0.2 C[C@H](N)CC(=O)O YH66623 [0,2,0,0,0,0|1,0,1]=4 639 B6R0.2 C[C@H](O)CN(C)C YH05901 [0,2,0,0,0,0|0,0,0]=2 640 B6R0.3 C#CC(O)C(C)C LL0994 [0,2,0,0,0,0|0,0,1]=3 641 B6R0.3 CC(=O)C(C)CO HL2533 [0,2,0,0,0,0|0,0,1]=3 642 B6R0.3 CC(=O)\C(C)=N\O LL0011 [0,2,0,0,0,0|0,0,2]=4 643 B6R0.3 CC(Br)C(Br)C#N RT17501 [0,2,0,0,0,0|1,0,1]=4 644 B6R0.3 CC(C)[C@@H](C)CO RT0504 [0,2,0,0,0,0|0,0,0]=2 645 B6R0.3 CC(C)[C@H](C)CBr RT1116 [0,2,0,0,0,0|1,0,0]=3 646 B6R0.3 CC(C)[C@H](C)CO RT1115 [0,2,0,0,0,0|0,0,0]=2 647 B6R0.3 CC(C)[C@H](N)CO LT7570 [0,2,0,0,0,0|1,0,0]=3 648 B6R0.3 CC(CBr)C(=O)O RT17689 [0,2,0,0,0,0|1,0,0]=3 649 B6R0.3 CC(CN)C(=O)O JZ1399 [0,2,0,0,0,0|1,0,0]=3 650 B6R0.3 CC(CN)C(=O)O RT5016 [0,2,0,0,0,0|1,0,0]=3 651 B6R0.3 CC(CN)C(=O)O YH46231 [0,2,0,0,0,0|1,0,0]=3 652 B6R0.3 CC(CO)C(=O)O RT16856 [0,2,0,0,0,0|1,0,0]=3 653 B6R0.3 CCC(=O)N(C)C XJ1308 [0,2,0,0,0,0|0,0,2]=4 654 B6R0.3 CCC(=O)N(C)C XJ1318 [0,2,0,0,0,0|0,0,2]=4 655 B6R0.3 CCC(C)C(=O)Cl LT2056 [0,2,0,0,0,0|0,0,1]=3 656 B6R0.3 CCC(C)C(=O)[O-] LL2514 [0,2,0,0,0,0|0,0,1]=3 657 B6R0.3 CCC(C)C(C)C LL0990 [0,2,0,0,0,0|1,0,0]=3 658 B6R0.3 CCC(Cl)C(=O)O HL2688 [0,2,0,0,0,0|1,0,0]=3 659 B6R0.3 CCC(Cl)C(N)=O XJ3322 [0,2,0,0,0,0|1,0,1]=4 660 B6R0.3 CCC(N)C(=O)O JZ1396 [0,2,0,0,0,0|1,0,0]=3 661 B6R0.3 CCC(N)C(=O)O JZ1397 [0,2,0,0,0,0|1,0,0]=3 662 B6R0.3 CCC(O)C(=O)[O-] JZ5280 [0,2,0,0,0,0|0,0,1]=3 663 B6R0.3 CCC(O)C(C)C LL0993 [0,2,0,0,0,0|0,0,0]=2 664 B6R0.3 CCC(S)C(C)=O LL1144 [0,2,0,0,0,0|0,1,0]=3 665 B6R0.3 CCN(C)C(=O)Cl RT17546 [0,2,0,0,0,0|1,0,1]=4 666 B6R0.3 CC[C@@H](Br)C(=O)O RT0003 [0,2,0,0,0,0|1,0,0]=3 667 B6R0.3 CC[C@@H](C)C(=O)O RT0213 [0,2,0,0,0,0|0,0,0]=2 668 B6R0.3 CC[C@@H](N)C(=O)O JZ1364 [0,2,0,0,0,0|1,0,0]=3 669 B6R0.3 CC[C@H](N)C(N)=O LQ3256 [0,2,0,0,0,0|1,0,1]=4 670 B6R0.3 CC[C@H](N)C(N)=O LX2937 [0,2,0,0,0,0|1,0,1]=4 671 B6R0.3 COC(=O)C(C)C HL1985 [0,2,0,0,0,0|0,0,2]=4 672 B6R0.3 COC(=O)C(C)S RT19716 [0,2,0,0,0,0|0,0,2]=4 673 B6R0.3 COC(=O)[C@@H](C)N JZ1659 [0,2,0,0,0,0|0,0,2]=4 674 B6R0.3 COC(=O)[C@@H](C)O RT0506 [0,2,0,0,0,0|0,0,1]=3 675 B6R0.3 CON(C)C(C)=O LL1390 [0,2,0,0,0,0|1,0,1]=4 676 B6R0.3 C[C@@H](O)[C@H](N)CO JZ2276 [0,2,0,0,0,0|0,0,0]=2 677 B6R0.3 C\C=C(/C)C(=O)O RT0199 [0,2,0,0,0,0|0,0,2]=4 678 B6R0.3 C\C=C(\C)C(=O)O LX1016 [0,2,0,0,0,0|0,0,2]=4 679 B6R0.3 NC(CCl)C(=O)O RT4761 [0,2,0,0,0,0|1,0,1]=4 680 B6R0.3 NC(CO)C(=O)O JZ1426 [0,2,0,0,0,0|1,0,1]=4 681 B6R0.3 NCC(N)C(=O)O HL1942 [0,2,0,0,0,0|1,0,1]=4 682 B6R0.3 NC[C@H](O)C(=O)O LX3228 [0,2,0,0,0,0|1,0,1]=4 683 B6R0.3 N[C@@H](CO)C(=O)O JZ0405 [0,2,0,0,0,0|1,0,1]=4 684 B6R0.3 N[C@@H](CS)C(=O)O JZ0515 [0,2,0,0,0,0|1,0,1]=4 685 B6R0.3 N[C@@H](CS)C(=O)O JZ0516 [0,2,0,0,0,0|1,0,1]=4 686 B6R0.3 N[C@@H](CS)C(=O)O JZ1611 [0,2,0,0,0,0|1,0,1]=4 687 B6R0.3 N[C@H](CO)C(=O)O JZ1445 [0,2,0,0,0,0|1,0,1]=4 688 B6R0.3 N[C@H](CS)C(=O)O JZ1381 [0,2,0,0,0,0|1,0,1]=4 689 B6R0.3 N[C@H](CS)C(=O)O JZ1382 [0,2,0,0,0,0|1,0,1]=4 690 B6R0.3 N[C@H](CS)C(=O)O JZ1384 [0,2,0,0,0,0|1,0,1]=4 691 B6R0.3 O=C(O)C(O)CCl RT1118 [0,2,0,0,0,0|1,0,1]=4 692 B6R0.3 O=C(O)C(O)CS RT17775 [0,2,0,0,0,0|1,0,1]=4 693 B6R0.3 O=C([O-])C(O)CO LL1137 [0,2,0,0,0,0|1,0,1]=4 694 B6R0.3 O=C([O-])C(O)CO LT7565 [0,2,0,0,0,0|1,0,1]=4 695 B6R0.3 [C@@H](C)(N)C(=O)OC JZ1603 [0,2,0,0,0,0|0,0,2]=4 696 B6R0.3 [C@H](N)(CC)C(=O)O LX2077 [0,2,0,0,0,0|1,0,0]=3 697 B6R0.4 C#CCCC(C)C JZ1939 [0,2,0,0,0,0|1,0,0]=3 698 B6R0.4 C=C(C)C#CCC LQ4354 [0,2,0,0,0,0|1,0,1]=4 699 B6R0.4 C=CCCC(=O)O YH08846 [0,2,0,0,0,0|1,0,1]=4 700 B6R0.4 C=CCCC(C)=O LQ0437 [0,2,0,0,0,0|0,0,2]=4 701 B6R0.4 C=CCCC(C)C JZ2300 [0,2,0,0,0,0|1,0,0]=3 702 B6R0.4 CC#CCC(=O)O RT17532 [0,2,0,0,0,0|1,0,1]=4 703 B6R0.4 CC(=O)NCCCl JZ3076 [0,2,0,0,0,0|0,0,2]=4 704 B6R0.4 CC(=O)NCCN HL0561 [0,2,0,0,0,0|0,0,2]=4 705 B6R0.4 CC(=O)OCCBr LQ1516 [0,2,0,0,0,0|0,0,2]=4 706 B6R0.4 CC(Br)CCCBr HL0239 [0,2,0,0,0,0|1,0,0]=3 707 B6R0.4 CC(C)=CCCBr HL2172 [0,2,0,0,0,0|1,0,1]=4 708 B6R0.4 CC(C)CCC=O RT0502 [0,2,0,0,0,0|1,0,0]=3 709 B6R0.4 CC(C)CCCBr HL0240 [0,2,0,0,0,0|1,0,0]=3 710 B6R0.4 CC(C)CN=C=S HL0107 [0,2,0,0,0,0|1,0,1]=4 711 B6R0.4 CC(C)COC=O XJ0953 [0,2,0,0,0,0|1,0,1]=4 712 B6R0.4 CC(C)OCCO LQ0441 [0,2,0,0,0,0|1,0,0]=3 713 B6R0.4 CC(N)CCCO RT0123 [0,2,0,0,0,0|1,0,0]=3 714 B6R0.4 CCC#CC(=O)O RT17589 [0,2,0,0,0,0|1,0,1]=4 715 B6R0.4 CCC#CC(C)O LT2389 [0,2,0,0,0,0|0,0,0]=2 716 B6R0.4 CCCCC(C)Br HL2516 [0,2,0,0,0,0|1,0,0]=3 717 B6R0.4 CCCNC(C)=O JZ2722 [0,2,0,0,0,0|0,0,2]=4 718 B6R0.4 CCCSC(C)C HL2844 [0,2,0,0,0,0|1,0,0]=3 719 B6R0.4 CN(C)CCCBr LQ5309 [0,2,0,0,0,0|2,0,0]=4 720 B6R0.4 CN(C)CCCBr YH08472 [0,2,0,0,0,0|2,0,0]=4 721 B6R0.4 CN(C)CCCCl HL0729 [0,2,0,0,0,0|2,0,0]=4 722 B6R0.4 CN(C)CCCCl HL2943 [0,2,0,0,0,0|2,0,0]=4 723 B6R0.4 CN(C)CCCCl LQ0440 [0,2,0,0,0,0|2,0,0]=4 724 B6R0.4 CN(C)CCCN RT1449 [0,2,0,0,0,0|2,0,0]=4 725 B6R0.4 CN(C)CCCO LT2968 [0,2,0,0,0,0|2,0,0]=4 726 B6R0.4 CNCCN(C)C XJ0598 [0,2,0,0,0,0|2,0,0]=4 727 B6R0.4 COCCC(=O)O LQ2190 [0,2,0,0,0,0|1,0,1]=4 728 B6R0.4 COCCC(C)O LT2442 [0,2,0,0,0,0|0,0,0]=2 729 B6R0.4 CSCCC(C)=O LT2666 [0,2,0,0,0,0|0,0,2]=4 730 B6R0.4 NCCCC(=O)O CJ3094 [0,2,0,0,0,0|1,0,1]=4 731 B6R0.4 O=C(O)CCCBr JZ2086 [0,2,0,0,0,0|1,0,1]=4 732 B6R0.4 O=C(O)CCCS RT19786 [0,2,0,0,0,0|1,0,1]=4 733 B6R0.5 CC#CC(C)(C)C HL0639 [0,2,0,0,0,0|1,0,1]=4 734 B6R0.5 CC(C)(C)CCBr HL0956 [0,2,0,0,0,0|1,0,0]=3 735 B6R0.5 CC(C)(C)CCO XJ1179 [0,2,0,0,0,0|1,0,0]=3 736 B6R0.5 CC(C)(N)CCO YH01120 [0,2,0,0,0,0|1,0,0]=3 737 B6R0.5 CC(C)(O)CCBr RT0161 [0,2,0,0,0,0|0,0,0]=2 738 B6R0.5 CC(C)(O)CCCl RT0158 [0,2,0,0,0,0|0,0,0]=2 739 B6R0.5 CCCC(C)(C)Cl LQ2678 [0,2,0,0,0,0|1,0,0]=3 740 B6R0.5 CCCC(C)(C)O HL0081 [0,2,0,0,0,0|0,0,0]=2 741 B6R0.5 CCCS(=O)(=O)O JZ2673 [0,2,0,0,0,0|2,0,0]=4 742 B6R0.5 CCC[N+](C)(C)C RT0535 [0,2,0,0,0,0|2,0,0]=4 743 B6R0.5 CCOC(C)(C)C JZ4054 [0,2,0,0,0,0|1,0,0]=3 744 B6R0.5 CCOS(C)(=O)=O XJ0017 [0,2,0,0,0,0|1,0,1]=4 745 B6R0.5 CCSS(C)(=O)=O RT17802 [0,2,0,0,0,0|1,0,1]=4 746 B6R0.5 CCS[Si](C)(C)C RT1371 [0,2,0,0,0,0|1,1,0]=4 747 B6R0.5 CNCP(=O)(O)O RT4702 [0,2,0,0,0,0|2,0,0]=4 748 B6R0.5 COCC(C)(C)O JZ2366 [0,2,0,0,0,0|0,0,0]=2 749 B6R0.5 COCC(F)(F)F HL1851 [0,2,0,0,0,0|2,0,0]=4 750 B6R0.5 CS(=O)(=O)CCN YH22609 [0,2,0,0,0,0|1,0,1]=4 751 B6R0.5 CS(=O)(=O)CCO XJ4187 [0,2,0,0,0,0|1,0,1]=4 752 B6R0.5 C[As+](C)(C)CCO RT1086 [0,2,0,0,0,0|2,0,0]=4 753 B6R0.5 C[N+](C)(C)CCO JZ5198 [0,2,0,0,0,0|2,0,0]=4 754 B6R0.5 C[Si](C)(C)CCO JZ2139 [0,2,0,0,0,0|1,1,0]=4 755 B6R0.5 ClCCC(Cl)(Cl)Cl LQ1641 [0,2,0,0,0,0|2,0,0]=4 756 B6R0.5 FC(F)(F)CCCl HL1848 [0,2,0,0,0,0|2,0,0]=4 757 B6R0.5 FC(F)(F)CCI HL1849 [0,2,0,0,0,0|2,0,0]=4 758 B6R0.5 NCCS(=O)(=O)O JZ0477 [0,2,0,0,0,0|2,0,0]=4 759 B6R0.5 O=P(O)(O)CCCl LQ3943 [0,2,0,0,0,0|2,0,0]=4 760 B6R0.5 O=P(O)(O)CCO RT1318 [0,2,0,0,0,0|2,0,0]=4 761 B6R0.5 O=S(=O)(O)CCBr LT0306 [0,2,0,0,0,0|2,0,0]=4 762 B6R0.5 O=S(=O)(O)CCO LT2098 [0,2,0,0,0,0|2,0,0]=4 763 B6R0.5 OCCC(F)(F)F XJ2105 [0,2,0,0,0,0|2,0,0]=4 764 B6R0.5 OCCC(F)(F)F XJ6073 [0,2,0,0,0,0|2,0,0]=4 765 B6R0.8 C#CC(C)(O)CC LT2616 [0,2,0,0,0,0|0,0,0]=2 766 B6R0.8 C=CC(C)(O)CC HL0539 [0,2,0,0,0,0|0,0,0]=2 767 B6R0.8 CC(C)(C=O)CO LQ1118 [0,2,0,0,0,0|1,0,1]=4 768 B6R0.8 CC(C)(CO)CCl XJ3884 [0,2,0,0,0,0|1,0,0]=3 769 B6R0.8 CCC(C)(C)CC LQ1054 [0,2,0,0,0,0|1,0,0]=3 770 B6R0.8 CCC(C)(C)O[Na] LQ3782 [0,2,0,0,0,0|0,0,0]=2 771 B6R0.8 CCC(C)(O)C#N RT17545 [0,2,0,0,0,0|0,0,0]=2 772 B6R0.8 CCP(=O)(Cl)CC XJ1551 [0,2,0,0,0,0|1,0,1]=4 773 B6R0.8 CCS(=O)(=O)CC LQ1119 [0,2,0,0,0,0|1,0,1]=4 774 B6R0.8 CCS(=O)(=O)OC LT2073 [0,2,0,0,0,0|1,0,1]=4 775 B6R0.8 CC[Sn](Cl)(Cl)CC XJ1383 [0,2,0,0,0,0|2,0,0]=4 776 B6R0.8 COC(C)(C)OC LT6181 [0,2,0,0,0,0|1,0,0]=3 777 B6R0.8 COP(=O)(O)OC LQ1431 [0,2,0,0,0,0|2,0,0]=4 778 B6R0.8 COP(C)(=O)OC XJ1313 [0,2,0,0,0,0|2,0,0]=4 779 B6R0.9 CCC(CC)CN LQ1208 [0,2,0,0,0,0|1,0,0]=3 780 B6R0.9 CCN(C=O)CC LQ1209 [0,2,0,0,0,0|1,0,1]=4 781 B6R0.9 CCN(CC)CC JZ4026 [0,2,0,0,0,0|2,0,0]=4 782 B6R0.9 CCN(CC)CC XJ1326 [0,2,0,0,0,0|2,0,0]=4 783 B6R0.9 CCN(CC)CC YH28671 [0,2,0,0,0,0|2,0,0]=4 784 B6R0.9 CC[SiH](CC)CC LT6209 [0,2,0,0,0,0|1,1,0]=4 785 B6R0.9 COB(OC)OC LL0502 [0,2,0,0,0,0|2,0,0]=4 786 B6R0.9 COC(C=O)OC LQ5229 [0,2,0,0,0,0|1,0,1]=4 787 B6R0.9 COC(CBr)OC LT7038 [0,2,0,0,0,0|1,0,0]=3 788 B6R0.9 COC(CCl)OC LT7109 [0,2,0,0,0,0|1,0,0]=3 789 B6R0.9 COC(CN)OC LT6925 [0,2,0,0,0,0|1,0,0]=3 790 B6R0.9 CO[Sb](OC)OC XJ4978 [0,2,0,0,0,0|2,0,0]=4 791 B6R0.9 OCC(CO)CO YH02578 [0,2,0,0,0,0|1,0,0]=3 792 B6R0.9 [BH-](CC)(CC)CC YH47632 [0,2,0,0,0,0|2,0,0]=4 793 B6R0.7 CC(C)(Br)C(=O)O HL2102 [0,2,0,0,0,0|1,0,1]=4 794 B6R0.7 CC(C)(C)C(=O)O JZ0676 [0,2,0,0,0,0|1,0,1]=4 795 B6R0.7 CC(C)(N)C(=O)O JZ1007 [0,2,0,0,0,0|1,0,1]=4 796 B6R0.7 CC(C)(O)C(=O)O LQ1101 [0,2,0,0,0,0|1,0,1]=4 797 B6R0.7 CC(C)(O)C(N)=O LQ3549 [0,2,0,0,0,0|1,0,1]=4 798 B6R0.7 CC(C)(S)C(=O)O LQ2741 [0,2,0,0,0,0|1,0,1]=4 799 B6R0.7 CC(C)C(C)(C)C LQ0838 [0,2,0,0,0,0|1,0,0]=3 800 B6R0.7 CC(Cl)(Cl)C(=O)O LQ0132 [0,2,0,0,0,0|1,0,1]=4 801 B6R0.7 CC(N)C(C)(C)C LQ2546 [0,2,0,0,0,0|1,0,0]=3 802 B6R0.7 CC(O)C(C)(C)C LQ0839 [0,2,0,0,0,0|0,0,0]=2 803 B6R0.7 OC(O)C(Cl)(Cl)Cl LT4460 [0,2,0,0,0,0|2,0,0]=4 804 B4R1.1 C1CNC1 LX2166 [1,0,0,1,0,0|1,0,0]=3 805 B4R1.1 C1CNC1 XJ0867 [1,0,0,1,0,0|1,0,0]=3 806 B4R1.2 BrC1CC1 JZ2471 [1,0,0,1,0,0|1,0,0]=3 807 B4R1.2 CC1=CC1 LQ2353 [1,0,0,1,0,0|0,0,2]=4 808 B4R1.2 CC1CN1 RT4107 [1,0,0,1,0,0|1,0,0]=3 809 B4R1.2 C[C@H]1CO1 XJ4234 [1,0,0,1,0,0|0,0,0]=2 810 B4R1.2 ClC1CC1 XJ1608 [1,0,0,1,0,0|1,0,0]=3 811 B4R1.2 [C@@H]1(C)CO1 YH36802 [1,0,0,1,0,0|0,0,0]=2 812 B6R1.2 BrC1CCCC1 LL0590 [0,1,0,1,0,0|1,0,0]=3 813 B6R1.2 CC1=NCCC1 XJ1415 [0,1,0,1,0,0|1,0,1]=4 814 B6R1.2 CC1=NCCN1 LL0953 [0,1,0,1,0,0|1,0,1]=4 815 B6R1.2 CC1=NCCO1 XJ1609 [0,1,0,1,0,0|0,0,1]=3 816 B6R1.2 CC1CCCC1 LL0238 [0,1,0,1,0,0|1,0,0]=3 817 B6R1.2 CC1CCCN1 XJ1351 [0,1,0,1,0,0|1,0,0]=3 818 B6R1.2 CC1CCCO1 YH65006 [0,1,0,1,0,0|0,0,0]=2 819 B6R1.2 CC1CCCS1 XJ1945 [0,1,0,1,0,0|0,1,0]=3 820 B6R1.2 CC1CCNC1 YH66261 [0,1,0,1,0,0|1,0,0]=3 821 B6R1.2 CC1N=CCS1 LT2114 [0,1,0,1,0,0|0,1,1]=4 822 B6R1.2 CC1SCCS1 JZ2801 [0,1,0,1,0,0|0,1,0]=3 823 B6R1.2 C[C@@H]1CCCN1 JZ0867 [0,1,0,1,0,0|1,0,0]=3 824 B6R1.2 C[C@H]1CCCN1 HL3677 [0,1,0,1,0,0|1,0,0]=3 825 B6R1.2 C[C@H]1CCNC1 YH66267 [0,1,0,1,0,0|1,0,0]=3 826 B6R1.2 ClC1C=CCC1 LL0239 [0,1,0,1,0,0|1,0,1]=4 827 B6R1.2 ClC1CCCC1 LT4693 [0,1,0,1,0,0|1,0,0]=3 828 B6R1.2 NC1CC=CC1 YH95418 [0,1,0,1,0,0|1,0,1]=4 829 B6R1.2 NC1CCCC1 LT4694 [0,1,0,1,0,0|1,0,0]=3 830 B6R1.2 NC1CCNC1 LL1803 [0,1,0,1,0,0|1,0,0]=3 831 B6R1.2 NC1CCNC1 YH29002 [0,1,0,1,0,0|1,0,0]=3 832 B6R1.2 N[C@@H]1CCNC1 JZ0225 [0,1,0,1,0,0|1,0,0]=3 833 B6R1.2 N[C@@H]1CCOC1 CJ2199 [0,1,0,1,0,0|1,0,0]=3 834 B6R1.2 N[C@H]1CCNC1 JZ0221 [0,1,0,1,0,0|1,0,0]=3 835 B6R1.2 N[C@H]1CCNC1 LT6128 [0,1,0,1,0,0|1,0,0]=3 836 B6R1.2 N[C@H]1CCOC1 XJ6762 [0,1,0,1,0,0|1,0,0]=3 837 B6R1.2 O=C1CCCN1 RT14155 [0,1,0,1,0,0|0,0,2]=4 838 B6R1.2 O=C1CCCO1 YH98377 [0,1,0,1,0,0|0,0,2]=4 839 B6R1.2 O=C1CCCS1 HL0571 [0,1,0,1,0,0|0,0,2]=4 840 B6R1.2 O=C1CCNC1 HL2616 [0,1,0,1,0,0|0,0,2]=4 841 B6R1.2 O=C1CCNC1 YH98366 [0,1,0,1,0,0|0,0,2]=4 842 B6R1.2 O=C1CCOC1 LQ4327 [0,1,0,1,0,0|0,0,2]=4 843 B6R1.2 O=C1CCSC1 JZ1778 [0,1,0,1,0,0|0,0,2]=4 844 B6R1.2 O=C1NCCO1 LT6610 [0,1,0,1,0,0|1,0,1]=4 845 B6R1.2 O=C1OCCO1 LL0243 [0,1,0,1,0,0|1,0,1]=4 846 B6R1.2 O=S1OCCO1 HL2604 [0,1,0,1,0,0|2,0,0]=4 847 B6R1.2 OC1CC=CC1 XJ4083 [0,1,0,1,0,0|0,0,1]=3 848 B6R1.2 OC1CCCO1 RT17572 [0,1,0,1,0,0|0,0,0]=2 849 B6R1.2 OC1CCNC1 HL4806 [0,1,0,1,0,0|0,0,0]=2 850 B6R1.2 OC1CCOC1 XJ0812 [0,1,0,1,0,0|0,0,0]=2 851 B6R1.2 O[C@@H]1CCNC1 HL2373 [0,1,0,1,0,0|0,0,0]=2 852 B6R1.2 O[C@@H]1CCNC1 JZ0855 [0,1,0,1,0,0|0,0,0]=2 853 B6R1.2 O[C@@H]1CCOC1 HL4808 [0,1,0,1,0,0|0,0,0]=2 854 B6R1.2 O[C@@H]1CCSC1 LT5798 [0,1,0,1,0,0|0,0,0]=2 855 B6R1.2 O[C@H]1CCNC1 JZ0222 [0,1,0,1,0,0|0,0,0]=2 856 B6R1.2 O[C@H]1CCNC1 XJ6747 [0,1,0,1,0,0|0,0,0]=2 857 B6R1.2 O[C@H]1CCOC1 HL4807 [0,1,0,1,0,0|0,0,0]=2 858 B6R1.2 O[C@H]1CCSC1 LT5717 [0,1,0,1,0,0|0,0,0]=2 859 B6R1.2 SC1CCCC1 LQ1887 [0,1,0,1,0,0|0,1,0]=3 860 B6R1.2 [Fe]C1CCCC1 HL0728 [0,1,0,1,0,0|1,0,0]=3 861 B6R1.2 [Fe]C1CCCC1 XJ1696 [0,1,0,1,0,0|1,0,0]=3 862 B6R1.3 ICCC1CC1 YH66394 [0,1,0,1,0,0|1,0,0]=3 863 B6R1.3 N#CCC1CC1 YH12245 [0,1,0,1,0,0|1,0,1]=4 864 B6R1.3 NCCN1CC1 YH59500 [0,1,0,1,0,0|2,0,0]=4 865 B6R1.3 NOCC1CC1 YH17345 [0,1,0,1,0,0|2,0,0]=4 866 B6R1.3 OCCN1CC1 JZ4346 [0,1,0,1,0,0|2,0,0]=4 867 B6R1.3 [C@@H]1(COC)CO1 LL1074 [0,1,0,1,0,0|0,0,0]=2 868 B6R1.5 CC1CC(=O)O1 HL2455 [0,1,0,1,0,0|0,0,1]=3 869 B6R1.5 CN1CC(N)C1 YH98280 [0,1,0,1,0,0|1,0,0]=3 870 B6R1.5 NC1CC(F)C1 RT0521 [0,1,0,1,0,0|1,0,0]=3 871 B6R1.5 NC1CC(N)C1 LX3212 [0,1,0,1,0,0|1,0,0]=3 872 B6R1.5 N[C@H]1C[C@@H](O)C1 YH65443 [0,1,0,1,0,0|0,0,0]=2 873 B6R1.8 CC1CC1CO JZ2852 [0,1,0,1,0,0|0,0,0]=2 874 B6R1.10 CC1(C)CNC1 YH93840 [0,1,0,1,0,0|1,0,0]=3 875 B6R1.10 CC1(N)COC1 YH91545 [0,1,0,1,0,0|1,0,0]=3 876 B6R1.10 FC1(F)CNC1 CJ2497 [0,1,0,1,0,0|2,0,0]=4 877 B6R1.11 CC(=O)C1CC1 LT4698 [0,1,0,1,0,0|0,0,2]=4 878 B6R1.11 CC(=O)C1CO1 YH01735 [0,1,0,1,0,0|0,0,1]=3 879 B6R1.11 CC(=O)N1CC1 RT15034 [0,1,0,1,0,0|0,0,2]=4 880 B6R1.11 C[C@H](N)C1CC1 LL2540 [0,1,0,1,0,0|1,0,0]=3 881 B6R1.11 NC(=O)C1CO1 RT17350 [0,1,0,1,0,0|1,0,1]=4 882 B6R1.11 O=C(O)C1CO1 LX3011 [0,1,0,1,0,0|1,0,1]=4 883 B6R1.11 OB(O)C1CC1 YH00422 [0,1,0,1,0,0|2,0,0]=4 884 B6R1.4 O=C1CCC1Cl RT13553 [0,1,0,1,0,0|0,0,2]=4 885 B6R1.6 BrCC1CCC1 YH39750 [0,1,0,1,0,0|1,0,0]=3 886 B6R1.6 CNC1CNC1 YH49217 [0,1,0,1,0,0|2,0,0]=4 887 B6R1.6 N#CC1CCC1 XJ2664 [0,1,0,1,0,0|1,0,0]=3 888 B6R1.6 NCC1CCC1 JZ2551 [0,1,0,1,0,0|1,0,0]=3 889 B6R1.6 OCC1CCC1 LT4668 [0,1,0,1,0,0|0,0,0]=2 890 B6R1.7 C=CC1(C)CO1 HL2018 [0,1,0,1,0,0|0,0,2]=4 891 B6R1.7 N#CC1(N)CC1 LQ5540 [0,1,0,1,0,0|1,0,1]=4 892 B6R1.7 NC1(CO)CC1 LX2522 [0,1,0,1,0,0|1,0,0]=3 893 B6R1.7 NC1(CO)CC1 YH26091 [0,1,0,1,0,0|1,0,0]=3 894 B6R1.7 NCC1(O)CC1 YH16826 [0,1,0,1,0,0|0,0,0]=2