0 B5R0.5 BrC(Br)C(Br)Br XJ0078 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.5 C=C(C)C(C)=O LQ1438 [0,0,0,0,0,0|0,1,3]=4 2 B5R0.5 C=C(C)C(C)C LQ1068 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.5 CC(=O)C(C)=O RT1203 [0,0,0,0,0,0|1,1,2]=4 4 B5R0.5 CC(=O)C(C)Br LQ1437 [0,0,0,0,0,0|1,1,1]=3 5 B5R0.5 CC(=O)C(C)S LT2609 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.5 CC(=O)C(Cl)Cl HL1927 [0,0,0,0,0,0|2,1,1]=4 7 B5R0.5 CC(=O)N(C)C LT7398 [0,0,0,0,0,0|1,1,1]=3 8 B5R0.5 CC(=S)N(C)C LQ1296 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.5 CC(Br)C(=O)O LQ1147 [0,0,0,0,0,0|2,1,1]=4 10 B5R0.5 CC(C)=C(C)C LQ1069 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.5 CC(C)B(O)O XJ6433 [0,0,0,0,0,0|2,1,0]=3 12 B5R0.5 CC(C)C(=O)[O-] JZ5651 [0,0,0,0,0,0|1,1,1]=3 13 B5R0.5 CC(C)C(=O)[O-] YH98974 [0,0,0,0,0,0|1,1,1]=3 14 B5R0.5 CC(C)C(C)C XJ0079 [0,0,0,0,0,0|1,0,0]=1 15 B5R0.5 CC(C)C(C)N LQ1148 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.5 CC(C)C(C)O LQ1149 [0,0,0,0,0,0|0,1,0]=1 17 B5R0.5 CC(C)C(C)S HL2141 [0,0,0,0,0,0|0,0,0]=0 18 B5R0.5 CC(C)C(N)=O LQ1071 [0,0,0,0,0,0|1,1,1]=3 19 B5R0.5 CC(C)N(=O)=O XJ0090 [0,0,0,0,0,0|2,1,0]=3 20 B5R0.5 CC(O)C(=O)[O-] HL1943 [0,0,0,0,0,0|2,1,1]=4 21 B5R0.5 CC(O)C(=O)[O-] LT7892 [0,0,0,0,0,0|2,1,1]=4 22 B5R0.5 CC(O)C(=O)[O-] XJ1528 [0,0,0,0,0,0|2,1,1]=4 23 B5R0.5 CC(O)C(C)O HL1925 [0,0,0,0,0,0|1,1,0]=2 24 B5R0.5 CC(O)C(C)O HL3363 [0,0,0,0,0,0|1,1,0]=2 25 B5R0.5 CC(O)C(C)S LT3134 [0,0,0,0,0,0|1,0,0]=1 26 B5R0.5 CC(S)C(C)S HL2771 [0,0,0,0,0,0|1,0,0]=1 27 B5R0.5 CN(C)C(=O)Cl LT7881 [0,0,0,0,0,0|2,1,1]=4 28 B5R0.5 CN(C)C(=S)Cl LT7773 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.5 CN(C)C(=S)[S-] LQ0527 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.5 CN(C)C(=S)[S-] LQ3837 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.5 CN(C)P(Cl)Cl HL0362 [0,0,0,0,0,0|4,0,0]=4 32 B5R0.5 C[C@@H](Cl)C(=O)O XJ3332 [0,0,0,0,0,0|2,1,1]=4 33 B5R0.5 C[C@H](N)C(=O)O JZ0471 [0,0,0,0,0,0|2,1,1]=4 34 B5R0.5 C[C@H](N)C(N)=O LQ3255 [0,0,0,0,0,0|2,1,1]=4 35 B5R0.5 C[C@H](N)C(N)=O RT5023 [0,0,0,0,0,0|2,1,1]=4 36 B5R0.5 C[C@H](O)C(=O)O XJ1388 [0,0,0,0,0,0|2,1,1]=4 37 B5R0.5 C[C@H](O)C(=O)[O-] HL4794 [0,0,0,0,0,0|2,1,1]=4 38 B5R0.5 C[C@H](O)[C@H](C)O JZ5301 [0,0,0,0,0,0|1,1,0]=2 39 B5R0.5 [2H]C(=O)N(C)C JZ2134 [0,0,0,0,0,0|2,1,1]=4 40 B4R0.1 BrCC(Br)Br LL0122 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 C#CC(C)O JZ2135 [1,0,0,0,0,0|0,1,2]=4 42 B4R0.1 C#C[C@H](C)N RT3964 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.1 C(=O)N(C)C YH13617 [1,0,0,0,0,0|1,1,1]=4 44 B4R0.1 C=C(Br)CC LQ4356 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.1 C=C(C)CC LQ1059 [1,0,0,0,0,0|0,0,2]=3 46 B4R0.1 C=C(C)OC HL1466 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.1 C=C=C(C)C LQ1135 [1,0,0,0,0,0|0,0,3]=4 48 B4R0.1 C=CC(C)Cl LQ1061 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.1 CC(=O)CBr LQ1137 [1,0,0,0,0,0|1,1,1]=4 50 B4R0.1 CC(=O)CN LX3064 [1,0,0,0,0,0|1,1,1]=4 51 B4R0.1 CC(Br)CBr LL0123 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 CC(Br)CCl XJ2375 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 CC(C)CI HL1913 [1,0,0,0,0,0|1,0,0]=2 54 B4R0.1 CC(C)CS HL1915 [1,0,0,0,0,0|0,0,0]=1 55 B4R0.1 CC(C)NN LQ3967 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.1 CC(C)NO LT5054 [1,0,0,0,0,0|1,1,0]=3 57 B4R0.1 CC(N)C#N LT6014 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 CC(N)CN YH43801 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 CC(N)CO JZ1400 [1,0,0,0,0,0|1,1,0]=3 60 B4R0.1 CC(O)CF YH01374 [1,0,0,0,0,0|1,1,0]=3 61 B4R0.1 CCB(O)O XJ2684 [1,0,0,0,0,0|2,1,0]=4 62 B4R0.1 CCC(=O)Cl YH19012 [1,0,0,0,0,0|1,1,1]=4 63 B4R0.1 CCC(=O)[O-] HL1636 [1,0,0,0,0,0|1,1,1]=4 64 B4R0.1 CCC(=O)[O-] LQ1030 [1,0,0,0,0,0|1,1,1]=4 65 B4R0.1 CCC(C)I LT2185 [1,0,0,0,0,0|1,0,0]=2 66 B4R0.1 CC[C@@H](C)N JZ3698 [1,0,0,0,0,0|1,0,0]=2 67 B4R0.1 CN(C)N=O RT4837 [1,0,0,0,0,0|2,1,0]=4 68 B4R0.1 COC(C)=N YH35544 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 COC(C)C RT17590 [1,0,0,0,0,0|1,0,0]=2 70 B4R0.1 COC(Cl)Cl XJ2773 [1,0,0,0,0,0|3,0,0]=4 71 B4R0.1 CSC(C)C LT4098 [1,0,0,0,0,0|1,0,0]=2 72 B4R0.1 CS[S+](C)C HL3015 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.1 C[C@@H](N)CN YH65431 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.1 C[C@@H](O)CN LT7643 [1,0,0,0,0,0|1,1,0]=3 75 B4R0.1 C[C@H](Cl)CO JZ5320 [1,0,0,0,0,0|1,1,0]=3 76 B4R0.1 C[C@H](Cl)CO XJ5311 [1,0,0,0,0,0|1,1,0]=3 77 B4R0.1 C[C@H](N)CO HL2372 [1,0,0,0,0,0|1,1,0]=3 78 B4R0.1 C[C@H](N)CO LT7580 [1,0,0,0,0,0|1,1,0]=3 79 B4R0.1 C[C@H](O)CCl JZ5302 [1,0,0,0,0,0|1,1,0]=3 80 B4R0.1 C\C=C(\C)Br JZ3724 [1,0,0,0,0,0|1,0,2]=4 81 B4R0.1 ClCC(Cl)Cl LL0136 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.1 O=C([O-])CS HL2967 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.1 O=C([O-])CS LQ1436 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.1 O=C([O-])CS XJ0675 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.1 O=C([O-])CS XJ6033 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.1 [C@@H](C)(O)CO LQ2624 [1,0,0,0,0,0|1,1,0]=3 87 B6R0.3 C#CC(O)C(C)C LL0994 [0,1,0,0,0,0|0,1,1]=3 88 B6R0.3 CC(=O)C(C)CO HL2533 [0,1,0,0,0,0|0,1,1]=3 89 B6R0.3 CC(Br)C(Br)C#N RT17501 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.3 CC(C)C(=O)NN XJ2497 [0,1,0,0,0,0|1,1,1]=4 91 B6R0.3 CC(C)[C@@H](C)CO RT0504 [0,1,0,0,0,0|0,1,0]=2 92 B6R0.3 CC(C)[C@H](C)CBr RT1116 [0,1,0,0,0,0|1,0,0]=2 93 B6R0.3 CC(C)[C@H](C)CO RT1115 [0,1,0,0,0,0|0,1,0]=2 94 B6R0.3 CC(C)[C@H](N)CO LT7570 [0,1,0,0,0,0|1,0,0]=2 95 B6R0.3 CC(CBr)C(=O)O RT17689 [0,1,0,0,0,0|1,1,1]=4 96 B6R0.3 CC(CN)C(=O)O JZ1399 [0,1,0,0,0,0|1,1,1]=4 97 B6R0.3 CC(CN)C(=O)O RT5016 [0,1,0,0,0,0|1,1,1]=4 98 B6R0.3 CC(CN)C(=O)O YH46231 [0,1,0,0,0,0|1,1,1]=4 99 B6R0.3 CC(CO)C(=O)O RT16856 [0,1,0,0,0,0|1,1,1]=4 100 B6R0.3 CCC(=O)N(C)C XJ1308 [0,1,0,0,0,0|1,1,1]=4 101 B6R0.3 CCC(=O)N(C)C XJ1318 [0,1,0,0,0,0|1,1,1]=4 102 B6R0.3 CCC(C)C(=O)Cl LT2056 [0,1,0,0,0,0|1,1,1]=4 103 B6R0.3 CCC(C)C(=O)[O-] LL2514 [0,1,0,0,0,0|1,1,1]=4 104 B6R0.3 CCC(C)C(C)C LL0990 [0,1,0,0,0,0|1,0,0]=2 105 B6R0.3 CCC(O)C(C)C LL0993 [0,1,0,0,0,0|0,1,0]=2 106 B6R0.3 CCC(S)C(C)=O LL1144 [0,1,0,0,0,0|1,0,1]=3 107 B6R0.3 CC[C@@H](C)C(=O)O RT0213 [0,1,0,0,0,0|1,1,1]=4 108 B6R0.3 CN(C)C(=O)CCl XJ2231 [0,1,0,0,0,0|1,1,1]=4 109 B6R0.3 CNC(=O)N(C)C LQ1298 [0,1,0,0,0,0|1,1,1]=4 110 B6R0.3 COC(=O)C(C)C HL1985 [0,1,0,0,0,0|0,1,1]=3 111 B6R0.3 COC(=O)C(C)S RT19716 [0,1,0,0,0,0|1,0,1]=3 112 B6R0.3 COC(=O)[C@@H](C)N JZ1659 [0,1,0,0,0,0|1,1,1]=4 113 B6R0.3 COC(=O)[C@@H](C)O RT0506 [0,1,0,0,0,0|1,1,1]=4 114 B6R0.3 CON(C)C(C)=O LL1390 [0,1,0,0,0,0|1,1,1]=4 115 B6R0.3 C[C@@H](O)[C@H](N)CO JZ2276 [0,1,0,0,0,0|1,1,0]=3 116 B6R0.3 C\C=C(/C)C(C)=O LL0992 [0,1,0,0,0,0|0,1,2]=4 117 B6R0.3 [C@@H](C)(N)C(=O)OC JZ1603 [0,1,0,0,0,0|1,1,1]=4 118 B6R0.7 CC(C)(Br)C(=O)Br XJ4581 [0,1,0,0,0,0|1,1,1]=4 119 B6R0.7 CC(C)(Br)C(=O)O HL2102 [0,1,0,0,0,0|1,1,1]=4 120 B6R0.7 CC(C)(Br)C(N)=O YH16835 [0,1,0,0,0,0|1,1,1]=4 121 B6R0.7 CC(C)(C)C(=N)N XJ4393 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.7 CC(C)(C)C(=O)Cl JZ0680 [0,1,0,0,0,0|1,1,1]=4 123 B6R0.7 CC(C)(C)C(=O)O JZ0676 [0,1,0,0,0,0|1,1,1]=4 124 B6R0.7 CC(C)(C)C(N)=S LQ1285 [0,1,0,0,0,0|1,0,2]=4 125 B6R0.7 CC(C)(C)S(=O)Cl LQ4733 [0,1,0,0,0,0|2,1,0]=4 126 B6R0.7 CC(C)(C)[N+](=O)[O-] LQ1103 [0,1,0,0,0,0|2,1,0]=4 127 B6R0.7 CC(C)(C)[N+](=O)[O-] XJ0928 [0,1,0,0,0,0|2,1,0]=4 128 B6R0.7 CC(C)(C)[S@@](N)=O HL3531 [0,1,0,0,0,0|2,1,0]=4 129 B6R0.7 CC(C)(C)[S@@](N)=O LT1104 [0,1,0,0,0,0|2,1,0]=4 130 B6R0.7 CC(C)(C)[S@@](N)=O LT1105 [0,1,0,0,0,0|2,1,0]=4 131 B6R0.7 CC(C)(Cl)[N+](=O)[O-] LQ1104 [0,1,0,0,0,0|2,1,0]=4 132 B6R0.7 CC(C)(N)C(=O)O JZ1007 [0,1,0,0,0,0|1,1,1]=4 133 B6R0.7 CC(C)(O)C(=O)O LQ1101 [0,1,0,0,0,0|1,1,1]=4 134 B6R0.7 CC(C)(O)C(N)=O LQ3549 [0,1,0,0,0,0|1,1,1]=4 135 B6R0.7 CC(C)(S)C(=O)O LQ2741 [0,1,0,0,0,0|1,1,1]=4 136 B6R0.7 CC(C)C(C)(C)C LQ0838 [0,1,0,0,0,0|1,0,0]=2 137 B6R0.7 CC(C)S(=O)(=O)Cl JZ3445 [0,1,0,0,0,0|2,1,0]=4 138 B6R0.7 CC(C)S(=O)(=O)[O-] LT6614 [0,1,0,0,0,0|2,1,0]=4 139 B6R0.7 CC(N)C(C)(C)C LQ2546 [0,1,0,0,0,0|1,0,0]=2 140 B6R0.7 CC(O)C(C)(C)C LQ0839 [0,1,0,0,0,0|0,1,0]=2 141 B6R1.4 O=C1CCC1Cl RT13553 [0,0,0,1,0,0|1,1,1]=4 142 B6R1.11 CC(=O)C1CC1 LT4698 [0,0,0,1,0,0|0,1,1]=3 143 B6R1.11 CC(=O)C1CO1 YH01735 [0,0,0,1,0,0|1,1,1]=4 144 B6R1.11 CC(=O)N1CC1 RT15034 [0,0,0,1,0,0|1,1,1]=4 145 B6R1.11 C[C@H](N)C1CC1 LL2540 [0,0,0,1,0,0|1,0,0]=2 146 B6R1.11 N=C(N)C1CC1 XJ5811 [0,0,0,1,0,0|2,0,1]=4 147 B6R1.11 NC(=O)C1CC1 YH10544 [0,0,0,1,0,0|1,1,1]=4 148 B6R1.11 OB(O)C1CC1 YH00422 [0,0,0,1,0,0|2,1,0]=4 149 B6R0.2 CC(=O)CC(C)C LQ0378 [0,0,0,0,0,1|0,1,1]=3 150 B6R0.2 CC(=O)OC(C)Br LQ5001 [0,0,0,0,0,1|1,1,1]=4 151 B6R0.2 CC(=O)OC(C)C LQ0385 [0,0,0,0,0,1|0,1,1]=3 152 B6R0.2 CC(C)CB(O)O XJ6479 [0,0,0,0,0,1|2,1,0]=4 153 B6R0.2 CC(C)CC(=O)O XJ0871 [0,0,0,0,0,1|1,1,1]=4 154 B6R0.2 CC(C)CC(C)C LQ0376 [0,0,0,0,0,1|1,0,0]=2 155 B6R0.2 CC(C)CC(C)N XJ6268 [0,0,0,0,0,1|1,0,0]=2 156 B6R0.2 CC(C)CC(N)=O XJ0939 [0,0,0,0,0,1|1,1,1]=4 157 B6R0.2 CC(C)C[C@H](C)O JZ4964 [0,0,0,0,0,1|0,1,0]=2 158 B6R0.2 CC(C)NC(C)C YH12518 [0,0,0,0,0,1|1,0,0]=2 159 B6R0.2 CC(C)NC(N)=S JZ4711 [0,0,0,0,0,1|1,0,2]=4 160 B6R0.2 CC(C)OC(=O)Cl LQ0387 [0,0,0,0,0,1|1,1,1]=4 161 B6R0.2 CC(C)OC(=S)[S-] XJ0566 [0,0,0,0,0,1|1,0,2]=4 162 B6R0.2 CC(C)O[N+](=O)[O-] JZ4698 [0,0,0,0,0,1|2,1,0]=4 163 B6R0.2 CC(C)SC(=N)N XJ5791 [0,0,0,0,0,1|2,0,1]=4 164 B6R0.2 CC(Cl)CN(C)C HL0587 [0,0,0,0,0,1|2,0,0]=3 165 B6R0.2 CC(Cl)CN(C)C HL2803 [0,0,0,0,0,1|2,0,0]=3 166 B6R0.2 CC(O)CC(C)O XJ1198 [0,0,0,0,0,1|1,1,0]=3 167 B6R0.2 CP(C)CP(C)C HL4244 [0,0,0,0,0,1|3,0,0]=4 168 B6R0.2 C[C@H](O)CN(C)C YH05901 [0,0,0,0,0,1|1,1,0]=3 169 B6R0.2 C[SiH](C)O[SiH](C)C XJ5049 [0,0,0,0,0,1|1,2,0]=4 170 B3R0.1 C=CCC HL1334 [2,0,0,0,0,0|0,0,2]=4 171 B3R0.1 C=CCS LT3385 [2,0,0,0,0,0|0,0,2]=4 172 B3R0.1 CCC=S LT2311 [2,0,0,0,0,0|0,0,2]=4 173 B3R0.1 CCCCl XJ0925 [2,0,0,0,0,0|1,0,0]=3 174 B3R0.1 CCON LT7287 [2,0,0,0,0,0|2,0,0]=4 175 B3R0.1 CCSC XJ1178 [2,0,0,0,0,0|1,0,0]=3 176 B3R0.1 CNOC LT1363 [2,0,0,0,0,0|2,0,0]=4 177 B3R0.1 COCCl RT17912 [2,0,0,0,0,0|2,0,0]=4 178 B3R0.1 CSCCl LQ2158 [2,0,0,0,0,0|2,0,0]=4 179 B3R0.1 ClCCCl XJ5613 [2,0,0,0,0,0|2,0,0]=4 180 B3R0.1 FCCBr XJ1331 [2,0,0,0,0,0|2,0,0]=4 181 B3R0.1 NCCCl XJ1403 [2,0,0,0,0,0|2,0,0]=4 182 B3R0.1 NCCN JZ1006 [2,0,0,0,0,0|2,0,0]=4 183 B3R0.1 NCCN JZ4960 [2,0,0,0,0,0|2,0,0]=4 184 B3R0.1 NCCN LT5412 [2,0,0,0,0,0|2,0,0]=4 185 B3R0.1 NCCN LT7506 [2,0,0,0,0,0|2,0,0]=4 186 B3R0.1 NCCN XJ4257 [2,0,0,0,0,0|2,0,0]=4 187 B3R0.1 NCCO XJ0576 [2,0,0,0,0,0|1,1,0]=4 188 B3R0.1 NCCS LL0054 [2,0,0,0,0,0|1,0,0]=3 189 B3R0.1 NCCS LQ0646 [2,0,0,0,0,0|1,0,0]=3 190 B3R0.1 OCCBr XJ0924 [2,0,0,0,0,0|1,1,0]=4 191 B3R0.1 OCCO LT7654 [2,0,0,0,0,0|1,1,0]=4 192 B3R0.1 [2H]OCC RT1050 [2,0,0,0,0,0|2,0,0]=4 193 B3R0.1 [Li]CCC LQ1980 [2,0,0,0,0,0|1,0,0]=3 194 B3R0.1 [O-]CC[O-] RT16375 [2,0,0,0,0,0|1,1,0]=4 195 B3R0.2 C=C(C)C HL1444 [2,0,0,0,0,0|0,0,2]=4 196 B3R0.2 C=[N+](C)C LQ4806 [2,0,0,0,0,0|1,0,1]=4 197 B3R0.2 CB(C)Br LQ2820 [2,0,0,0,0,0|2,0,0]=4 198 B3R0.2 CC(C)I LQ0090 [2,0,0,0,0,0|1,0,0]=3 199 B3R0.2 CC(C)S LQ0091 [2,0,0,0,0,0|0,0,0]=2 200 B3R0.2 CC(C)[O-] JZ4937 [2,0,0,0,0,0|0,1,0]=3 201 B3R0.2 CC(C)[O-] JZ5329 [2,0,0,0,0,0|0,1,0]=3 202 B3R0.2 CC(C)[O-] JZ5330 [2,0,0,0,0,0|0,1,0]=3 203 B3R0.2 CC(C)[O-] JZ5591 [2,0,0,0,0,0|0,1,0]=3 204 B3R0.2 CC(C)[O-] LL1978 [2,0,0,0,0,0|0,1,0]=3 205 B3R0.2 CC(C)[O-] LQ3154 [2,0,0,0,0,0|0,1,0]=3 206 B3R0.2 CC(C)[O-] LQ3155 [2,0,0,0,0,0|0,1,0]=3 207 B3R0.2 CC(C)[O-] LQ3188 [2,0,0,0,0,0|0,1,0]=3 208 B3R0.2 CC(C)[O-] LQ4092 [2,0,0,0,0,0|0,1,0]=3 209 B3R0.2 CC(C)[O-] XJ2702 [2,0,0,0,0,0|0,1,0]=3 210 B3R0.2 CC(C)[O-] XJ6011 [2,0,0,0,0,0|0,1,0]=3 211 B3R0.2 CC(Cl)Br LQ1089 [2,0,0,0,0,0|2,0,0]=4 212 B3R0.2 CC(Cl)Cl HL0746 [2,0,0,0,0,0|2,0,0]=4 213 B3R0.2 CC(Cl)Cl RT17620 [2,0,0,0,0,0|2,0,0]=4 214 B3R0.2 CC(F)F LQ0094 [2,0,0,0,0,0|2,0,0]=4 215 B3R0.2 CN(C)C JZ2219 [2,0,0,0,0,0|1,0,0]=3 216 B3R0.2 CP(C)C LL1775 [2,0,0,0,0,0|1,0,0]=3 217 B3R0.2 CS(C)=O XJ0069 [2,0,0,0,0,0|1,1,0]=4 218 B3R0.2 C[As](C)I RT5919 [2,0,0,0,0,0|2,0,0]=4 219 B3R0.2 C[S+](C)C HL2475 [2,0,0,0,0,0|1,0,0]=3 220 B3R0.2 C[S+](C)C JZ1912 [2,0,0,0,0,0|1,0,0]=3 221 B3R0.2 C[SiH](C)C XJ1513 [2,0,0,0,0,0|0,1,0]=3 222 B3R0.2 C[Sn](C)=O HL2174 [2,0,0,0,0,0|1,1,0]=4 223 B5R0.1 BrCCC(Br)Br YH44143 [1,1,0,0,0,0|2,0,0]=4 224 B5R0.1 C#CCC(C)O LQ2032 [1,1,0,0,0,0|0,1,1]=4 225 B5R0.1 C#CCN(C)C LQ3198 [1,1,0,0,0,0|1,0,1]=4 226 B5R0.1 C=C(C)OCC LT1730 [1,1,0,0,0,0|0,0,2]=4 227 B5R0.1 C=CCC(C)C LQ1324 [1,1,0,0,0,0|0,0,1]=3 228 B5R0.1 C=CCC(C)O XJ1184 [1,1,0,0,0,0|0,1,1]=4 229 B5R0.1 C=CCN(C)C JZ1867 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.1 CC#C[C@H](C)O HL4870 [1,1,0,0,0,0|0,1,1]=4 231 B5R0.1 CC(=O)CCS XJ5155 [1,1,0,0,0,0|0,1,1]=4 232 B5R0.1 CC(Br)CCBr HL1367 [1,1,0,0,0,0|1,0,0]=3 233 B5R0.1 CC(C)=CCBr YH91045 [1,1,0,0,0,0|0,0,2]=4 234 B5R0.1 CC(C)=CCN YH33589 [1,1,0,0,0,0|0,0,2]=4 235 B5R0.1 CC(C)=CCO LT3091 [1,1,0,0,0,0|0,0,2]=4 236 B5R0.1 CC(C)CC#N XJ1183 [1,1,0,0,0,0|0,0,1]=3 237 B5R0.1 CC(C)CCCl HL1371 [1,1,0,0,0,0|0,0,0]=2 238 B5R0.1 CC(C)CCI XJ0935 [1,1,0,0,0,0|0,0,0]=2 239 B5R0.1 CC(C)N=C=O LT4097 [1,1,0,0,0,0|0,1,1]=4 240 B5R0.1 CC(C)OC=O XJ1196 [1,1,0,0,0,0|0,1,1]=4 241 B5R0.1 CC(O)CC=O HL1375 [1,1,0,0,0,0|0,1,1]=4 242 B5R0.1 CCCC(C)C HL1370 [1,1,0,0,0,0|0,0,0]=2 243 B5R0.1 CCCC(C)C HL4500 [1,1,0,0,0,0|0,0,0]=2 244 B5R0.1 CCC[C@H](C)O LQ4668 [1,1,0,0,0,0|0,1,0]=3 245 B5R0.1 CCNC(C)=O XJ1192 [1,1,0,0,0,0|0,1,1]=4 246 B5R0.1 CCSC(C)=O HL4138 [1,1,0,0,0,0|0,1,1]=4 247 B5R0.1 CCSC(C)=O XJ1197 [1,1,0,0,0,0|0,1,1]=4 248 B5R0.1 CN(C)CCCl HL2802 [1,1,0,0,0,0|1,0,0]=3 249 B5R0.1 CN(C)CCN HL1382 [1,1,0,0,0,0|1,0,0]=3 250 B5R0.1 CN(C)CCO HL1383 [1,1,0,0,0,0|1,0,0]=3 251 B5R0.1 CN(C)CCS LT4952 [1,1,0,0,0,0|1,0,0]=3 252 B5R0.1 COCC(C)=O LT7464 [1,1,0,0,0,0|0,1,1]=4 253 B5R0.1 COCC(C)N XJ5266 [1,1,0,0,0,0|1,0,0]=3 254 B5R0.1 COC[C@H](C)N XJ6713 [1,1,0,0,0,0|1,0,0]=3 255 B5R0.1 C[AlH3](C)C[Ti]Cl LL1155 [1,1,0,0,0,0|2,0,0]=4 256 B5R0.1 C[C@@H](N)CC#N YH66415 [1,1,0,0,0,0|1,0,1]=4 257 B5R0.1 C[C@@H](N)CCO RT0497 [1,1,0,0,0,0|1,0,0]=3 258 B5R0.1 C[C@@H](O)CCO SY0267 [1,1,0,0,0,0|0,1,0]=3 259 B5R0.1 C[C@H](N)CC#N YH66374 [1,1,0,0,0,0|1,0,1]=4 260 B5R0.3 BrCC(Br)CBr LL0220 [1,1,0,0,0,0|2,0,0]=4 261 B5R0.3 C#CC(O)CC HL2704 [1,1,0,0,0,0|0,1,1]=4 262 B5R0.3 C=C(CC)CC XJ1324 [1,1,0,0,0,0|0,0,2]=4 263 B5R0.3 C=CC(C)CC XJ1323 [1,1,0,0,0,0|0,0,1]=3 264 B5R0.3 CC(CO)CO JZ1881 [1,1,0,0,0,0|0,1,0]=3 265 B5R0.3 CCC(=O)NC JZ4434 [1,1,0,0,0,0|0,1,1]=4 266 B5R0.3 CCC(Br)CC XJ1961 [1,1,0,0,0,0|1,0,0]=3 267 B5R0.3 CCC(C)C=O LL0224 [1,1,0,0,0,0|0,0,1]=3 268 B5R0.3 CCC(C)CBr LQ2987 [1,1,0,0,0,0|0,0,0]=2 269 B5R0.3 CCC(C)CBr LQ3410 [1,1,0,0,0,0|0,0,0]=2 270 B5R0.3 CCC(C)CC LL0223 [1,1,0,0,0,0|0,0,0]=2 271 B5R0.3 CCC(C)CCl LQ1182 [1,1,0,0,0,0|0,0,0]=2 272 B5R0.3 CCC(C)CO LL0587 [1,1,0,0,0,0|0,0,0]=2 273 B5R0.3 CCC(C)NC LQ3344 [1,1,0,0,0,0|0,0,0]=2 274 B5R0.3 CCC(Cl)CCl LQ1184 [1,1,0,0,0,0|1,0,0]=3 275 B5R0.3 CCC(N)CC LQ1186 [1,1,0,0,0,0|1,0,0]=3 276 B5R0.3 CCC(N)CO LL0227 [1,1,0,0,0,0|1,0,0]=3 277 B5R0.3 CCC(S)CS XJ4247 [1,1,0,0,0,0|0,0,0]=2 278 B5R0.3 CCN(C)CC LQ1190 [1,1,0,0,0,0|1,0,0]=3 279 B5R0.3 CCN(C)N=O RT17894 [1,1,0,0,0,0|1,1,0]=4 280 B5R0.3 CCN(O)CC HL2577 [1,1,0,0,0,0|1,1,0]=4 281 B5R0.3 CC[C@@H](C)CO LQ1183 [1,1,0,0,0,0|0,0,0]=2 282 B5R0.3 CC[C@@H](O)CO LQ5013 [1,1,0,0,0,0|0,1,0]=3 283 B5R0.3 CC[C@H](C)CBr LL0949 [1,1,0,0,0,0|0,0,0]=2 284 B5R0.3 CC[C@H](O)CO HL4502 [1,1,0,0,0,0|0,1,0]=3 285 B5R0.3 CC\C(C)=N\O LL0233 [1,1,0,0,0,0|0,1,1]=4 286 B5R0.3 NC(CO)CO LL1303 [1,1,0,0,0,0|1,1,0]=4 287 B5R0.3 NCC(O)CN LQ1188 [1,1,0,0,0,0|1,1,0]=4 288 B5R0.3 NCC(O)CO JZ0486 [1,1,0,0,0,0|1,1,0]=4 289 B5R0.3 NC[C@H](O)CO YH09994 [1,1,0,0,0,0|1,1,0]=4 290 B5R0.3 NC[C@H](O)CO YH45696 [1,1,0,0,0,0|1,1,0]=4 291 B5R0.3 OC(CBr)CBr LL0228 [1,1,0,0,0,0|1,1,0]=4 292 B5R0.3 OC(CCl)CCl LL0229 [1,1,0,0,0,0|1,1,0]=4 293 B5R0.3 OCC(Br)CBr LL0222 [1,1,0,0,0,0|1,1,0]=4 294 B5R0.3 OCC(Br)CO RT0384 [1,1,0,0,0,0|1,1,0]=4 295 B5R0.3 OCC(Cl)CCl LQ1185 [1,1,0,0,0,0|1,1,0]=4 296 B5R0.3 OCC(Cl)CO RT1084 [1,1,0,0,0,0|1,1,0]=4 297 B5R0.3 OCC(O)CBr RT0218 [1,1,0,0,0,0|1,1,0]=4 298 B5R0.3 OCC(O)CCl LL0230 [1,1,0,0,0,0|1,1,0]=4 299 B5R0.3 OCC(O)CI RT1254 [1,1,0,0,0,0|1,1,0]=4 300 B5R0.3 OCC(O)CO LT6375 [1,1,0,0,0,0|1,1,0]=4 301 B5R0.3 OCC(O)CO RT14397 [1,1,0,0,0,0|1,1,0]=4 302 B5R0.3 OCC(O)CO XJ4849 [1,1,0,0,0,0|1,1,0]=4 303 B5R0.3 OCC(O)CS LL0232 [1,1,0,0,0,0|1,0,0]=3 304 B5R0.3 OC[C@H](O)CBr YH33404 [1,1,0,0,0,0|1,1,0]=4 305 B5R0.3 OC[C@H](O)CCl LT5275 [1,1,0,0,0,0|1,1,0]=4 306 B5R0.3 O[13CH2][13CH](O)[13CH2]O RT1008 [1,1,0,0,0,0|1,1,0]=4 307 B5R0.4 C#CC(C)(C)Br XJ3073 [1,1,0,0,0,0|0,0,2]=4 308 B5R0.4 C#CC(C)(C)C YH95703 [1,1,0,0,0,0|0,0,2]=4 309 B5R0.4 C#CC(C)(C)N XJ2319 [1,1,0,0,0,0|0,0,2]=4 310 B5R0.4 C#CC(C)(C)O HL1447 [1,1,0,0,0,0|0,0,2]=4 311 B5R0.4 C=CC(C)(C)O HL1446 [1,1,0,0,0,0|0,0,2]=4 312 B5R0.4 CC(C)(Br)CCl HL2125 [1,1,0,0,0,0|1,0,0]=3 313 B5R0.4 CC(C)(C)C=O RT1153 [1,1,0,0,0,0|0,1,1]=4 314 B5R0.4 CC(C)(C)CBr LQ1283 [1,1,0,0,0,0|1,0,0]=3 315 B5R0.4 CC(C)(C)CCl XJ1305 [1,1,0,0,0,0|1,0,0]=3 316 B5R0.4 CC(C)(C)CO LQ0123 [1,1,0,0,0,0|0,1,0]=3 317 B5R0.4 CC(C)(C)OCl RT17559 [1,1,0,0,0,0|2,0,0]=4 318 B5R0.4 CC(C)(F)CBr YH65172 [1,1,0,0,0,0|1,0,0]=3 319 B5R0.4 CC(C)(F)CO RT0499 [1,1,0,0,0,0|0,1,0]=3 320 B5R0.4 CC(C)(N)CO LT0229 [1,1,0,0,0,0|0,1,0]=3 321 B5R0.4 CC(C)(O)CBr RT16393 [1,1,0,0,0,0|1,0,0]=3 322 B5R0.4 CC(C)(O)CCl LQ1048 [1,1,0,0,0,0|1,0,0]=3 323 B5R0.4 CC(C)(O)CO RT1147 [1,1,0,0,0,0|0,1,0]=3 324 B5R0.4 CC(C)(S)CN LX2484 [1,1,0,0,0,0|1,0,0]=3 325 B5R0.4 CC(F)(F)CO YH55117 [1,1,0,0,0,0|1,1,0]=4 326 B5R0.4 CCC(C)(C)Cl LQ1095 [1,1,0,0,0,0|0,0,0]=2 327 B5R0.4 CCC(C)(C)N LQ1096 [1,1,0,0,0,0|0,0,0]=2 328 B5R0.4 CCC(C)(C)[O-] LL2022 [1,1,0,0,0,0|0,0,0]=2 329 B5R0.4 CCC(C)(Cl)Cl LQ2644 [1,1,0,0,0,0|1,0,0]=3 330 B5R0.4 CCC(Cl)(Cl)Cl XJ4875 [1,1,0,0,0,0|2,0,0]=4 331 B5R0.4 CCS(C)(=O)=O LQ1098 [1,1,0,0,0,0|1,1,0]=4 332 B5R0.4 CSC(C)(C)C XJ3040 [1,1,0,0,0,0|1,0,0]=3 333 B5R0.4 C[N+](C)(C)CI XJ5407 [1,1,0,0,0,0|2,0,0]=4 334 B5R0.4 C[Si](C)(C)CCl LT7112 [1,1,0,0,0,0|1,1,0]=4 335 B5R0.4 C[Si](C)(C)CN YH41576 [1,1,0,0,0,0|1,1,0]=4 336 B5R0.4 C[Si](C)(Cl)CCl LT7108 [1,1,0,0,0,0|1,1,0]=4 337 B5R0.4 [2H]OC(C)(C)C RT17778 [1,1,0,0,0,0|2,0,0]=4 338 B7R0.2 CC(C)C[C@@H](N)CO LT4736 [0,1,0,0,0,1|1,0,0]=3 339 B7R0.2 CC(C)NC(=O)CCl LQ2337 [0,1,0,0,0,1|0,1,1]=4 340 B7R0.2 CC(C)NC(=O)CN LL1178 [0,1,0,0,0,1|0,1,1]=4 341 B7R0.2 CC(C)OC(=O)CCl XJ0319 [0,1,0,0,0,1|0,1,1]=4 342 B7R0.2 CCC(=O)OC(C)C JZ4049 [0,1,0,0,0,1|0,1,1]=4 343 B7R0.2 CCC(C)CC(C)C XJ0315 [0,1,0,0,0,1|1,0,0]=3 344 B7R0.2 CN(C)CC(O)CO JZ0329 [0,1,0,0,0,1|1,1,0]=4 345 B7R0.2 [C@@H](N)(CO)CC(C)C JZ1582 [0,1,0,0,0,1|1,0,0]=3 346 B7R0.9 CC(=O)NC(C)(C)C XJ1333 [0,1,0,0,0,1|0,1,1]=4 347 B7R0.9 CC(=O)OC(C)(C)C LT6202 [0,1,0,0,0,1|0,1,1]=4 348 B7R0.9 CC(C)=CC(C)(C)C HL1356 [0,1,0,0,0,1|1,0,1]=4 349 B7R0.9 CC(C)CC(C)(C)O XJ1180 [0,1,0,0,0,1|0,1,0]=3 350 B7R0.9 CC(C)C[Si](C)(C)Cl XJ5870 [0,1,0,0,0,1|1,1,0]=4 351 B7R0.9 CC(C)C[Si](C)(Cl)Cl JZ5257 [0,1,0,0,0,1|1,1,0]=4 352 B7R0.9 CC(C)OC(C)(C)C RT1120 [0,1,0,0,0,1|1,0,0]=3 353 B7R0.9 CC(O)CC(C)(C)O HL1357 [0,1,0,0,0,1|0,1,0]=3 354 B7R0.9 CC(O)C[N+](C)(C)[O-] RT2807 [0,1,0,0,0,1|1,1,0]=4 355 B7R0.16 CC(Br)C(=O)C(C)Br LQ1451 [0,1,0,0,0,1|2,0,0]=4 356 B7R0.16 CC(C)C(=O)C(C)C LL0999 [0,1,0,0,0,1|1,0,0]=3 357 B7R0.16 CC(C)C(C)C(C)C LL0998 [0,1,0,0,0,1|1,0,0]=3 358 B7R0.16 CC(C)C(O)C(C)C JZ3862 [0,1,0,0,0,1|1,0,0]=3 359 B7R0.5 CC(C)[C@H](C)N=C=O HL4545 [0,2,0,0,0,0|0,1,0]=3 360 B7R0.5 CCCC(O)C(C)C LQ1202 [0,2,0,0,0,0|0,1,0]=3 361 B7R0.10 BrCC(Br)C(Br)CBr LQ1843 [0,2,0,0,0,0|2,0,0]=4 362 B7R0.10 CCC(C)C(=O)OC XJ1392 [0,2,0,0,0,0|0,1,1]=4 363 B7R0.10 CCC(C)C(N)CO LT7578 [0,2,0,0,0,0|1,0,0]=3 364 B7R0.10 COC(=O)C(C)OC LQ4052 [0,2,0,0,0,0|0,1,1]=4 365 B7R0.10 COC(=O)[C@@H](C)CO LT7462 [0,2,0,0,0,0|0,1,1]=4 366 B7R0.10 OC(CBr)C(O)CBr YH34708 [0,2,0,0,0,0|1,1,0]=4 367 B7R0.10 OC(CS)C(O)CS XJ4944 [0,2,0,0,0,0|1,1,0]=4 368 B7R0.10 OC[C@H](O)[C@H](O)CO LT7467 [0,2,0,0,0,0|1,1,0]=4 369 B7R0.10 O[C@H](CS)[C@@H](O)CS JZ3019 [0,2,0,0,0,0|1,1,0]=4 370 B7R0.14 CC(C)(C)C(=O)CBr LQ2921 [0,2,0,0,0,0|0,1,1]=4 371 B7R0.14 CC(C)(C)C(=O)CN LL1502 [0,2,0,0,0,0|0,1,1]=4 372 B7R0.14 CC(C)(C)[C@H](N)CO YH25084 [0,2,0,0,0,0|1,0,0]=3 373 B7R0.14 CNC(=O)C(C)(C)C LQ3187 [0,2,0,0,0,0|0,1,1]=4 374 B7R0.14 COC(=O)C(C)(C)Br JZ5571 [0,2,0,0,0,0|0,1,1]=4 375 B7R0.14 COC(=O)C(C)(C)C LQ1155 [0,2,0,0,0,0|0,1,1]=4 376 B7R0.14 COC(=O)C(C)(C)F HL1703 [0,2,0,0,0,0|0,1,1]=4 377 B7R0.14 COC(=O)C(C)(C)O LT2108 [0,2,0,0,0,0|0,1,1]=4 378 B7R0.14 COC(=O)C(C)(C)S RT19827 [0,2,0,0,0,0|0,1,1]=4 379 B7R0.14 C[C@@H](CO)C(C)(C)O RT18819 [0,2,0,0,0,0|0,1,0]=3 380 B7R0.14 C\C(=N/O)C(C)(C)C HL2254 [0,2,0,0,0,0|0,1,1]=4 381 B7R0.14 C\C(=N/O)C(C)(C)O JZ3141 [0,2,0,0,0,0|0,1,1]=4 382 B7R0.15 COC(OC)C(C)=O LQ3104 [0,2,0,0,0,0|0,1,1]=4 383 B7R0.15 COC(OC)N(C)C LQ2707 [0,2,0,0,0,0|1,1,0]=4 384 B7R0.17 CC(C)(N)C(F)(F)F RT4706 [0,2,0,0,0,0|2,0,0]=4 385 B5R1.2 BrC1CCC1 LT7156 [1,0,0,1,0,0|1,0,0]=3 386 B5R1.2 FC1CNC1 RT4119 [1,0,0,1,0,0|2,0,0]=4 387 B5R1.2 FC1CNC1 YH65878 [1,0,0,1,0,0|2,0,0]=4 388 B5R1.2 IC1COC1 YH65509 [1,0,0,1,0,0|1,1,0]=4 389 B5R1.2 NC1COC1 LQ4263 [1,0,0,1,0,0|1,1,0]=4 390 B5R1.2 NC1COC1 YH65543 [1,0,0,1,0,0|1,1,0]=4 391 B5R1.2 O=C1CCC1 LT7155 [1,0,0,1,0,0|0,1,1]=4 392 B5R1.2 O=C1CSC1 YH65134 [1,0,0,1,0,0|1,0,1]=4 393 B5R1.2 OC1CCC1 JZ2141 [1,0,0,1,0,0|0,1,0]=3 394 B5R1.2 OC1CNC1 LQ5145 [1,0,0,1,0,0|1,1,0]=4 395 B5R1.2 OC1CNC1 LX2402 [1,0,0,1,0,0|1,1,0]=4 396 B5R1.2 OC1COC1 JZ3200 [1,0,0,1,0,0|1,1,0]=4 397 B5R1.3 BrCC1CC1 LT6195 [1,0,0,1,0,0|1,0,0]=3 398 B5R1.3 BrCC1CO1 LQ2403 [1,0,0,1,0,0|1,1,0]=4 399 B5R1.3 Br[Mg]C1CC1 XJ4727 [1,0,0,1,0,0|2,0,0]=4 400 B5R1.3 CNC1CC1 YH13207 [1,0,0,1,0,0|1,0,0]=3 401 B5R1.3 ClCC1CO1 RT15055 [1,0,0,1,0,0|1,1,0]=4 402 B5R1.3 ClC[C@H]1CO1 LQ5216 [1,0,0,1,0,0|1,1,0]=4 403 B5R1.3 NCC1CC1 HL2308 [1,0,0,1,0,0|1,0,0]=3 404 B5R1.3 O=CC1CC1 HL0901 [1,0,0,1,0,0|0,1,1]=4 405 B5R1.3 OCC1CC1 LT7741 [1,0,0,1,0,0|0,1,0]=3 406 B5R1.3 OC[C@@H]1CO1 XJ5771 [1,0,0,1,0,0|1,1,0]=4 407 B5R1.3 [C@H]1(CO)CO1 XJ5900 [1,0,0,1,0,0|1,1,0]=4 408 B5R1.4 CC1OC1C XJ2416 [1,0,0,1,0,0|0,1,0]=3 409 B5R1.4 C[C@@H]1O[C@@H]1C XJ1886 [1,0,0,1,0,0|0,1,0]=3 410 B7R1.2 CC1CCC(=O)C1 XJ1883 [0,0,0,1,0,1|0,1,1]=4 411 B7R1.2 CC1CCC(C)O1 HL0575 [0,0,0,1,0,1|1,0,0]=3 412 B7R1.2 CC1CSC(=O)S1 RT14660 [0,0,0,1,0,1|1,0,1]=4 413 B7R1.2 CN1CCC(O)C1 LX2405 [0,0,0,1,0,1|1,1,0]=4 414 B7R1.2 CN1CC[C@@H](N)C1 YH88427 [0,0,0,1,0,1|2,0,0]=4 415 B7R1.2 CN1CC[C@@H](O)C1 YH22686 [0,0,0,1,0,1|1,1,0]=4 416 B7R1.2 CN1CC[C@H](N)C1 YH66272 [0,0,0,1,0,1|2,0,0]=4 417 B7R1.2 CN1CC[C@H](O)C1 XJ6769 [0,0,0,1,0,1|1,1,0]=4 418 B7R1.2 N[C@@H]1CC[C@@H](O)C1 YH65478 [0,0,0,1,0,1|1,1,0]=4 419 B7R1.2 N[C@@H]1CC[C@H](F)C1 RT0640 [0,0,0,1,0,1|2,0,0]=4 420 B7R1.2 N[C@H]1CC[C@@H](O)C1 YH24807 [0,0,0,1,0,1|1,1,0]=4 421 B7R1.2 N[C@H]1CC[C@H](O)C1 YH65948 [0,0,0,1,0,1|1,1,0]=4 422 B7R1.32 CC1(C)CC1(C)C XJ2645 [0,0,0,1,0,1|1,0,0]=3 423 B7R1.4 CC1=C(S)CCO1 LT1786 [0,1,0,1,0,0|0,0,2]=4 424 B7R1.4 CC1CCCC1N RT0500 [0,1,0,1,0,0|1,0,0]=3 425 B7R1.4 CC1CCCC1O XJ4791 [0,1,0,1,0,0|0,1,0]=3 426 B7R1.4 CC1CCNC1=O YH49833 [0,1,0,1,0,0|0,1,1]=4 427 B7R1.4 CC1CCOC1=O LQ1890 [0,1,0,1,0,0|0,1,1]=4 428 B7R1.4 CC1OCCC1=O LT1811 [0,1,0,1,0,0|0,1,1]=4 429 B7R1.4 CC1SCCC1=O LT1812 [0,1,0,1,0,0|0,1,1]=4 430 B7R1.4 NC1CCCC1O YH93843 [0,1,0,1,0,0|1,1,0]=4 431 B7R1.4 N[C@@H]1CCC[C@H]1O LT5725 [0,1,0,1,0,0|1,1,0]=4 432 B7R1.4 N[C@@H]1CCC[C@H]1O RT0409 [0,1,0,1,0,0|1,1,0]=4 433 B7R1.4 N[C@@H]1CCC[C@H]1O YH54046 [0,1,0,1,0,0|1,1,0]=4 434 B7R1.4 N[C@@H]1COC[C@@H]1O RT4250 [0,1,0,1,0,0|1,1,0]=4 435 B7R1.4 N[C@H]1COC[C@H]1O RT4251 [0,1,0,1,0,0|1,1,0]=4 436 B7R1.17 CC1(C)COC1=O RT14112 [0,1,0,1,0,0|0,1,1]=4 437 B7R1.19 CC(=O)C1(C)CC1 JZ4659 [0,1,0,1,0,0|0,1,1]=4 438 B7R1.22 O=C(CBr)C1CC1 YH14275 [0,1,0,1,0,0|0,1,1]=4 439 B7R1.26 CC(C)(C)C1CO1 XJ2121 [0,1,0,1,0,0|0,1,0]=3 440 B7R1.26 CC(C)(O)C1CC1 LQ1548 [0,1,0,1,0,0|0,1,0]=3 441 B7R0.6 CC(=O)CCC(C)C LL0404 [0,0,0,0,0,2|0,1,1]=4 442 B7R0.6 CC(=O)\C=C\C(C)C LQ2825 [0,0,0,0,0,2|0,1,1]=4 443 B7R0.6 CC(Br)CCC(C)Br LQ4435 [0,0,0,0,0,2|2,0,0]=4 444 B7R0.6 CC(C)CCC(C)C HL0113 [0,0,0,0,0,2|1,0,0]=3 445 B7R0.6 CC(C)CCC(C)N RT0214 [0,0,0,0,0,2|1,0,0]=3 446 B7R0.6 CC(C)CCC(C)O HL0260 [0,0,0,0,0,2|0,1,0]=3 447 B7R0.6 CC(O)CCC(C)O JZ2163 [0,0,0,0,0,2|1,1,0]=4