0 B7R0.18 CC(CCl)(CCl)CCl LQ1612 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.18 CCC(O)(CC)CC LQ1120 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.8 CC(C)(C=O)CO LQ1118 [1,0,0,0,0,0|1,0,2]=4 3 B6R0.8 CC(C)(CO)CCl XJ3884 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.8 CCC(C)(C)CC LQ1054 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.9 CCC(CC)CN LQ1208 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.9 OCC(CO)CO YH02578 [1,0,0,0,0,0|0,0,0]=1 7 B8R0.10 CCC(CC)(CO)CO HL1459 [0,1,0,0,0,0|2,0,0]=3 8 B8R0.10 OCC(CBr)(CBr)CBr LQ1832 [0,1,0,0,0,0|3,0,0]=4 9 B8R0.10 OCC(CCl)(CCl)CCl YH66055 [0,1,0,0,0,0|3,0,0]=4 10 B8R0.10 OCC(CO)(CO)CBr YH66083 [0,1,0,0,0,0|1,0,0]=2 11 B8R0.10 OCC(CO)(CO)[13CH2]O RT1025 [0,1,0,0,0,0|1,0,0]=2 12 B8R0.10 OC[P+](CO)(CO)CO JZ5762 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.31 C=CCC(C)(CO)CO RT1234 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.31 CCCC(C)(CO)CO LL0107 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.36 CC(CO)(CO)C(=O)O YH02822 [0,1,0,0,0,0|1,0,1]=3 16 B8R0.36 CC(CO)(CO)[N+](=O)[O-] LL0078 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.36 O=[N+]([O-])C(Br)(CO)CO LT7043 [0,1,0,0,0,0|2,0,1]=4 18 B8R1.60 BrCC1(CBr)COC1 YH48700 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.60 NCC1(CO)COC1 YH02184 [0,0,0,1,0,0|2,0,0]=3 20 B5R0.3 C=CC(O)CO RT18762 [2,0,0,0,0,0|1,0,1]=4 21 B5R0.3 C=C[C@@H](N)CO YH53874 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.3 C=C[C@H](N)CO LX2169 [2,0,0,0,0,0|1,0,1]=4 23 B5R0.3 CC(CO)CO JZ1881 [2,0,0,0,0,0|0,0,0]=2 24 B5R0.3 CCC(C)CBr LQ2987 [2,0,0,0,0,0|2,0,0]=4 25 B5R0.3 CCC(C)CBr LQ3410 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.3 CCC(C)CC LL0223 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.3 CCC(C)CCl LQ1182 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.3 CCC(C)CO LL0587 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.3 CCC(N)CC LQ1186 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.3 CCC(N)CO LL0227 [2,0,0,0,0,0|1,0,0]=3 31 B5R0.3 CC[C@@H](C)CO LQ1183 [2,0,0,0,0,0|1,0,0]=3 32 B5R0.3 CC[C@@H](O)CO LQ5013 [2,0,0,0,0,0|1,0,0]=3 33 B5R0.3 CC[C@H](C)CBr LL0949 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.3 CC[C@H](O)CO HL4502 [2,0,0,0,0,0|1,0,0]=3 35 B5R0.3 NC(CO)CO LL1303 [2,0,0,0,0,0|0,0,0]=2 36 B5R0.3 NCC(O)CN LQ1188 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.3 NCC(O)CO JZ0486 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.3 NC[C@H](O)CO YH09994 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.3 NC[C@H](O)CO YH45696 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.3 O=C(CO)CO LL1029 [2,0,0,0,0,0|0,0,2]=4 41 B5R0.3 O=C[C@H](O)CO LT7747 [2,0,0,0,0,0|0,0,2]=4 42 B5R0.3 OC(CBr)CBr LL0228 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.3 OC(CCl)CCl LL0229 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.3 OCC(Br)CBr LL0222 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.3 OCC(Br)CO RT0384 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.3 OCC(Cl)CCl LQ1185 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.3 OCC(Cl)CO RT1084 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.3 OCC(O)CBr RT0218 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.3 OCC(O)CCl LL0230 [2,0,0,0,0,0|1,0,0]=3 50 B5R0.3 OCC(O)CI RT1254 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.3 OCC(O)CO LT6375 [2,0,0,0,0,0|0,0,0]=2 52 B5R0.3 OCC(O)CO RT14397 [2,0,0,0,0,0|0,0,0]=2 53 B5R0.3 OCC(O)CO XJ4849 [2,0,0,0,0,0|0,0,0]=2 54 B5R0.3 OCC(O)CS LL0232 [2,0,0,0,0,0|0,1,0]=3 55 B5R0.3 OC[C@H](O)CBr YH33404 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.3 OC[C@H](O)CCl LT5275 [2,0,0,0,0,0|1,0,0]=3 57 B5R0.3 O[13CH2][13CH](O)[13CH2]O RT1008 [2,0,0,0,0,0|0,0,0]=2 58 B5R0.4 C#CC(C)(C)N XJ2319 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.4 CC(C)(Br)CCl HL2125 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.4 CC(C)(C)CBr LQ1283 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.4 CC(C)(C)CCl XJ1305 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.4 CC(C)(C)CO LQ0123 [2,0,0,0,0,0|1,0,0]=3 63 B5R0.4 CC(C)(F)CBr YH65172 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.4 CC(C)(F)CO RT0499 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.4 CC(C)(N)CO LT0229 [2,0,0,0,0,0|0,0,0]=2 66 B5R0.4 CC(C)(O)CBr RT16393 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.4 CC(C)(O)CCl LQ1048 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.4 CC(C)(O)CO RT1147 [2,0,0,0,0,0|1,0,0]=3 69 B5R0.4 CC(C)(S)CN LX2484 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.4 CC(F)(F)CO YH55117 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.4 CCC(C)(C)Cl LQ1095 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.4 CCC(C)(C)N LQ1096 [2,0,0,0,0,0|1,0,0]=3 73 B5R0.4 CCC(C)(C)[O-] LL2022 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.11 COCC(C)(O)CCl LT2283 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.13 CC(C)(CO)C(=O)O JZ2632 [1,1,0,0,0,0|1,0,1]=4 76 B7R0.13 CCC(C)(N)C(=O)O YH02479 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.13 CC[C@@](C)(N)C(=O)O LX2334 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.13 CC[C@](C)(N)C(=O)O YH09033 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.13 C[C@@](N)(CO)C(=O)O LX2820 [1,1,0,0,0,0|0,0,1]=3 80 B7R0.13 C[C@](N)(CO)C(=O)O LX2799 [1,1,0,0,0,0|0,0,1]=3 81 B7R0.12 C=CCC(CO)CO YH22206 [1,1,0,0,0,0|1,0,0]=3 82 B7R0.12 CCCC(CO)CO LT1803 [1,1,0,0,0,0|1,0,0]=3 83 B7R0.15 CCC(CO)C(=O)O RT1245 [1,1,0,0,0,0|1,0,1]=4 84 B7R0.15 O=[N+]([O-])C(CO)CO LT1548 [1,1,0,0,0,0|1,0,1]=4 85 B9R0.78 O=[N+]([O-])C(CO)(CO)CO HL1516 [0,2,0,0,0,0|0,0,1]=3 86 B7R1.25 CC1(CO)CCO1 YH09979 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.25 CC1(CO)COC1 SY0220 [1,0,0,1,0,0|1,0,0]=3 88 B7R1.29 OCC1(CO)CC1 XJ5375 [1,0,0,1,0,0|1,0,0]=3 89 B7R1.1 OCC1CC=CC1 YH65504 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.1 OC[C@@H]1CCNC1 LL1852 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.1 OC[C@H]1CCNC1 LL1853 [1,0,0,1,0,0|2,0,0]=4