0 B7R0.18 CCC(Br)(CC)CC A11322 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.18 CCC(N)(CO)CO D71113 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.18 NC(CO)(CO)CO F20293 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.18 NC(CO)(CO)CO F20305 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.18 NC(CO)(CO)CO P17498 [0,0,0,0,0,0|0,0,0]=0 5 B6R0.8 C#C[C@@](C)(N)CC 52216 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.8 CC(C)(C#N)CO O11012 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.8 CC(C)(C=O)CO 39324 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.8 CC(C)(CBr)CBr S10693 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.8 CC(C)(CN)CN D89885 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.8 CC(C)(CN)CO 35391 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.8 CC(C)(CO)CBr D97756 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.8 CC(C)(CO)CCl D84357 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.8 CC(C)(CO)CO D71071 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.8 CNC(C)(C)CO F19204 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.8 COC(C)(C)CO I10175 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.8 NCC(F)(F)CO P12538 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.8 OCC(F)(F)CO F52367 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.9 CCC(CC)CBr D88873 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.9 CCC(CC)CO D78539 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.9 CCC(CO)CO AB3752 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.9 OCC(CO)CO 59936 [1,0,0,0,0,0|0,0,0]=1 22 B8R0.10 OCC(CBr)(CBr)CBr D77202 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.10 OCC(CCl)(CCl)CCl 37886 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.10 OCC(CO)(CO)CO A11507 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.31 CCCC(C)(CO)CO D97667 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.36 CC(CO)(CO)C(=O)O D71069 [0,1,0,0,0,0|1,0,1]=3 27 B8R0.36 CC(CO)(CO)[N+](=O)[O-] F12734 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.52 NC1(CO)CCCC1 29439 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.60 BrCC1(CBr)COC1 P10118 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.60 CCC1(CO)COC1 P16441 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.60 ClCC1(CCl)COC1 86823 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.60 NCC1(CO)CCC1 38630 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.60 NCC1(CO)COC1 26934 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.60 NCC1(CO)COC1 P15273 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.60 OCC1(CBr)COC1 35404 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.60 OCC1(CO)CCC1 74082 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.60 OCC1(CO)COC1 32787 [0,0,0,1,0,0|1,0,0]=2 38 B5R0.3 C=C(CO)CO 35347 [2,0,0,0,0,0|0,0,2]=4 39 B5R0.3 C=C[C@@H](O)CO D79949 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.3 CC(CBr)CBr 90917 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.3 CC(CN)CN T72131 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.3 CC(CO)CO D71170 [2,0,0,0,0,0|0,0,0]=2 43 B5R0.3 CCC(N)CC S12161 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.3 CC[C@H](C)CBr A10884 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.3 CC[C@H](C)CCl D89411 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.3 CC[C@H](C)CI D80608 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.3 CC[C@H](C)CN F16114 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.3 CC[C@H](C)CO 88664 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.3 CC[C@H](C)CS D91431 [2,0,0,0,0,0|1,1,0]=4 50 B5R0.3 CC[C@H](N)CO 23160 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.3 CC[C@H](N)CO D87517 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.3 CC[C@H](N)CO F14569 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.3 CC[C@H](O)CN D97409 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.3 CC[C@H](O)CO C10640 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.3 CC[C@H](O)CO O10222 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.3 CO[C@@H](C)CO 29137 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.3 CO[C@@H](C)CO 35966 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.3 C[C@@H](CN)CO 78445 [2,0,0,0,0,0|1,0,0]=3 59 B5R0.3 C[C@@H](CN)CO AB10326 [2,0,0,0,0,0|1,0,0]=3 60 B5R0.3 NC(CO)CO F10927 [2,0,0,0,0,0|0,0,0]=2 61 B5R0.3 NCC(O)CN O10345 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.3 NC[C@H](O)CCl 91258 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.3 NC[C@H](O)CCl F14970 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.3 NC[C@H](O)CO 52095 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.3 NC[C@H](O)CO CL4509 [2,0,0,0,0,0|1,0,0]=3 66 B5R0.3 NC[C@H](O)CO H10491 [2,0,0,0,0,0|1,0,0]=3 67 B5R0.3 O=C(CO)CO S12381 [2,0,0,0,0,0|0,0,2]=4 68 B5R0.3 OC(CBr)CBr 90914 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.3 OCC(O)CO C13300 [2,0,0,0,0,0|0,0,0]=2 70 B5R0.3 OCC(O)CO D92249 [2,0,0,0,0,0|0,0,0]=2 71 B5R0.3 OC[C@H](Cl)CCl D89647 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.3 OC[C@H](O)CBr D84178 [2,0,0,0,0,0|1,0,0]=3 73 B5R0.3 OC[C@H](O)CCl 28070 [2,0,0,0,0,0|1,0,0]=3 74 B5R0.3 OC[C@H](O)CCl 28077 [2,0,0,0,0,0|1,0,0]=3 75 B5R0.3 OC[C@H](O)CS D92320 [2,0,0,0,0,0|0,1,0]=3 76 B5R0.3 OC[C@H](S)CS D89691 [2,0,0,0,0,0|0,2,0]=4 77 B5R0.3 O[C@@H](CCl)CI D79037 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.3 O[C@@H](CCl)CI D79038 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.4 CC(C)(C)CBr D78161 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.4 CC(C)(C)CCl D89303 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.4 CC(C)(C)CI AT22032 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.4 CC(C)(C)CN C10662 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.4 CC(C)(C)CN H10567 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.4 CC(C)(C)CO D78368 [2,0,0,0,0,0|1,0,0]=3 85 B5R0.4 CC(C)(C)NO 77596 [2,0,0,0,0,0|2,0,0]=4 86 B5R0.4 CC(C)(C)NO 77597 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.4 CC(C)(N)C#N 25525 [2,0,0,0,0,0|1,0,1]=4 88 B5R0.4 CC(C)(N)C#N 28961 [2,0,0,0,0,0|1,0,1]=4 89 B5R0.4 CC(C)(N)CN 22841 [2,0,0,0,0,0|1,0,0]=3 90 B5R0.4 CC(C)(N)CO P20005 [2,0,0,0,0,0|0,0,0]=2 91 B5R0.4 CC(C)(O)CCl 28897 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.4 CC(C)(O)CN 24534 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.4 CC(C)(O)CN 62304 [2,0,0,0,0,0|2,0,0]=4 94 B5R0.4 CC(C)(O)CO 31979 [2,0,0,0,0,0|1,0,0]=3 95 B5R0.4 CC(C)(S)CN 39451 [2,0,0,0,0,0|2,0,0]=4 96 B5R0.4 CC(F)(F)CO 60421 [2,0,0,0,0,0|2,0,0]=4 97 B5R0.4 CCC(C)(C)Br D88670 [2,0,0,0,0,0|2,0,0]=4 98 B5R0.4 CCC(C)(C)[O-] D94775 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.4 C[Si](C)(C)CO S12036 [2,0,0,0,0,0|1,1,0]=4 100 B7R0.11 CC(C)(CO)CCO W19543 [1,1,0,0,0,0|1,0,0]=3 101 B7R0.13 CC(C)(CO)C(=O)O AC7895 [1,1,0,0,0,0|1,0,1]=4 102 B7R0.13 CC[C@](C)(N)C(=O)O 28050 [1,1,0,0,0,0|1,0,1]=4 103 B7R0.13 CC[C@](C)(N)C(=O)O F12358 [1,1,0,0,0,0|1,0,1]=4 104 B7R0.15 CN(C)C(CO)CO D82869 [1,1,0,0,0,0|2,0,0]=4 105 B9R0.78 CCC(CO)(CO)C(=O)O D71068 [0,2,0,0,0,0|1,0,1]=4 106 B9R0.78 O=[N+]([O-])C(CO)(CO)CO AC7921 [0,2,0,0,0,0|0,0,1]=3 107 B7R1.25 CC1(CBr)COC1 35403 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.25 CC1(CCl)COC1 P10201 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.25 CC1(CI)COC1 30624 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.25 CC1(CN)COC1 66391 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.25 CC1(CO)COC1 59847 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.25 CCC1(N)CCC1 D79212 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.25 CCC1(N)CNC1 P17702 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.25 NC1(CO)CCC1 37739 [1,0,0,1,0,0|1,0,0]=3 115 B7R1.25 OCC1(F)CNC1 86197 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.29 NCC1(CO)CC1 F20219 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.29 OCC1(CO)CC1 87294 [1,0,0,1,0,0|1,0,0]=3 118 B7R1.1 IC[C@H]1CCOC1 P10359 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.1 NC[C@H]1CCOC1 37315 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.1 NC[C@H]1CCOC1 SC2551 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.1 OCC1CC=CC1 23897 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.1 OCC1CCCC1 23321 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.1 OC[C@H]1CCNC1 25702 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.1 OC[C@H]1CCNC1 62385 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.1 OC[C@H]1CCNC1 62386 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.1 OC[C@H]1CCNC1 62387 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.1 OC[C@H]1CCOC1 83670 [1,0,0,1,0,0|1,0,0]=3 128 B7R1.1 OC[C@H]1COCO1 D70284 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.118 NC1(CO)CCOCC1 38678 [0,1,0,1,0,0|1,0,0]=3 130 B9R1.124 OCC1(CO)CC(O)C1 P14796 [0,1,0,1,0,0|1,0,0]=3