0 B5R0.3 C(C(=O)CO)O LS41177 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.3 C(C(C#N)Cl)Cl LS41727 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C(C(CO)N)O LS41161 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.3 C([C@@H](CCl)O)N LS30231 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.3 C([C@@H](CCl)O)O LS30054 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.3 C([C@@H](CO)O)N LS30120 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.3 C([C@H](CCl)O)O LS30055 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.3 C([C@H](CO)O)N LS30267 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.3 C=C(CBr)CBr LS40790 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 C=C(CO)CO LS40793 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.3 CCC(CO)N LS40333 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.3 CC[C@@H](CO)O LS30248 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.3 CC[C@H](CO)O LS30249 [0,0,0,0,0,0|1,0,0]=1 13 B4R0.1 B(CC)(O)O LS11146 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 CC(=C)CO LS40522 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 CC(=NO)C LS00155 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 CC(CCl)Cl LS40550 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.1 CC[C@@H](C)O LS30261 [1,0,0,0,0,0|1,0,0]=2 18 B4R0.1 CC[C@H](C)O LS30260 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.1 C[C@@H](CCl)O LS30025 [1,0,0,0,0,0|1,0,0]=2 20 B4R0.1 C[C@@H](CO)Cl LS30257 [1,0,0,0,0,0|1,0,0]=2 21 B4R0.1 C[C@@H](CO)N LS30252 [1,0,0,0,0,0|1,0,0]=2 22 B4R0.1 C[C@@H](CO)O LS30238 [1,0,0,0,0,0|0,0,0]=1 23 B4R0.1 C[C@H](CCl)O LS30026 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.1 C[C@H](CO)Cl LS30085 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 C[C@H](CO)N LS30253 [1,0,0,0,0,0|1,0,0]=2 26 B4R0.1 C[C@H](CO)O LS30239 [1,0,0,0,0,0|0,0,0]=1 27 B4R0.2 C(CF)CF LS40664 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.2 C(CN)CBr LS00114 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.2 C(CO)CF LS40656 [1,0,0,0,0,0|1,0,0]=2 30 B4R0.2 C=CCCBr LS20765 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.2 C=CCCO LS40761 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.2 CNCCO LS40382 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.2 COCCBr LS40281 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.1 C(C#N)[C@@H](CCl)O LS30056 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.1 C(C#N)[C@H](CCl)O LS30057 [0,1,0,0,0,0|2,0,0]=3 36 B6R0.3 B(C(C)CC)(O)O LS11154 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,1,0,0,0,0|1,0,1]=3 38 B6R0.8 CC(C)(CO)OC LS40980 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.9 COC(CBr)OC LS41675 [0,1,0,0,0,0|3,0,0]=4 40 B6R1.2 C1CNCC1N LS20700 [0,0,0,1,0,0|3,0,0]=4 41 B6R1.2 C1CNC[C@@H]1O LS30060 [0,0,0,1,0,0|2,0,0]=3 42 B6R1.2 C1CNC[C@@H]1O LS30061 [0,0,0,1,0,0|2,0,0]=3 43 B6R1.2 C1CNC[C@H]1N LS30070 [0,0,0,1,0,0|3,0,0]=4 44 B6R1.2 C1COCC1=O LS21051 [0,0,0,1,0,0|1,0,2]=4 45 B6R1.2 C1COCC1O LS21045 [0,0,0,1,0,0|1,0,0]=2 46 B6R1.2 C1COC[C@@H]1N LS30001 [0,0,0,1,0,0|2,0,0]=3 47 B6R1.2 C1COC[C@@H]1O LS30063 [0,0,0,1,0,0|1,0,0]=2 48 B6R1.2 C1COC[C@H]1O LS30020 [0,0,0,1,0,0|1,0,0]=2 49 B6R1.2 C1COC[C@H]1O LS30064 [0,0,0,1,0,0|1,0,0]=2 50 B6R1.6 C1CC(C1)CBr LS40121 [0,0,0,1,0,0|3,0,0]=4 51 B6R1.6 C1CC(C1)CN LS40614 [0,0,0,1,0,0|3,0,0]=4 52 B6R1.6 C1CC(C1)CN LS40654 [0,0,0,1,0,0|3,0,0]=4 53 B6R1.6 C1CC(C1)CO LS41574 [0,0,0,1,0,0|2,0,0]=3 54 B6R1.7 CC1(CO1)CCl LS40232 [0,0,0,1,0,0|2,0,0]=3 55 B3R0.1 C(CCl)N LS40418 [2,0,0,0,0,0|2,0,0]=4 56 B3R0.1 C(CF)O LS40655 [2,0,0,0,0,0|1,0,0]=3 57 B3R0.1 C(CO)N LS41686 [2,0,0,0,0,0|1,0,0]=3 58 B3R0.1 CCNN LS40292 [2,0,0,0,0,0|2,0,0]=4 59 B3R0.2 B(C)(O)O LS11144 [2,0,0,0,0,0|1,0,0]=3 60 B3R0.2 B(O)(O)O LS41322 [2,0,0,0,0,0|1,0,0]=3 61 B3R0.2 BN(C)C LS00132 [2,0,0,0,0,0|2,0,0]=4 62 B3R0.2 CC(=O)O LS00077 [2,0,0,0,0,0|0,0,2]=4 63 B3R0.2 CC(C)[O-] LS60292 [2,0,0,0,0,0|0,0,1]=3 64 B3R0.2 CN(C)C LS41629 [2,0,0,0,0,0|2,0,0]=4 65 B3R0.2 CP(C)C LS41013 [2,0,0,0,0,0|2,0,0]=4 66 B3R0.2 OP(O)[O-] LS00064 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.1 B(CCC)(O)O LS11148 [1,1,0,0,0,0|2,0,0]=4 68 B5R0.1 C(CO)C(=O)O LS40008 [1,1,0,0,0,0|0,0,2]=4 69 B5R0.1 CC(CCO)N LS41893 [1,1,0,0,0,0|1,0,0]=3 70 B5R0.1 CCC[C@@H](C)O LS30259 [1,1,0,0,0,0|1,0,0]=3 71 B5R0.1 CCC[C@H](C)O LS30258 [1,1,0,0,0,0|1,0,0]=3 72 B5R0.1 C[C@@H](CCO)N LS30207 [1,1,0,0,0,0|1,0,0]=3 73 B5R0.1 C[C@H](CCO)N LS30127 [1,1,0,0,0,0|1,0,0]=3 74 B5R0.4 C(C(Br)(Br)Br)O LS41233 [1,1,0,0,0,0|2,0,0]=4 75 B5R0.4 CC(C)(C)CO LS40233 [1,1,0,0,0,0|1,0,0]=3 76 B5R0.4 CC(C)(CCl)O LS40441 [1,1,0,0,0,0|1,0,0]=3 77 B5R0.4 CC(CO)(F)F LS41182 [1,1,0,0,0,0|1,0,0]=3 78 B5R0.5 B(C(C)C)(O)O LS11150 [1,1,0,0,0,0|2,0,0]=4 79 B5R0.5 CC(C(=O)O)Br LS40410 [1,1,0,0,0,0|1,0,1]=4 80 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [1,1,0,0,0,0|1,0,1]=4 82 B5R0.2 C(CC#N)CCl LS40416 [1,1,0,0,0,0|2,0,0]=4 83 B5R0.2 C(CCBr)CBr LS40910 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.2 C(CCF)CF LS40665 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.2 C(CCF)CO LS40657 [1,1,0,0,0,0|1,0,0]=3 86 B5R0.2 C=CCCCBr LS20766 [1,1,0,0,0,0|2,0,0]=4 87 B5R0.2 COCCC#N LS40792 [1,1,0,0,0,0|1,0,1]=4 88 B5R0.2 COCCCBr LS40222 [1,1,0,0,0,0|1,0,0]=3 89 B7R0.7 C(NC(=O)NCO)O LS00085 [0,2,0,0,0,0|0,0,2]=4 90 B7R0.10 C(C(C(CO)Br)Br)O LS41719 [0,2,0,0,0,0|1,0,0]=3 91 B7R0.12 COCC(OC)OC LS40169 [0,2,0,0,0,0|2,0,0]=4 92 B5R1.2 C1C(=O)CO1 LS41911 [1,0,0,1,0,0|0,0,2]=4 93 B5R1.2 C1C(CN1)O LS40392 [1,0,0,1,0,0|1,0,0]=3 94 B5R1.2 C1C(CO1)I LS41126 [1,0,0,1,0,0|1,0,0]=3 95 B5R1.3 C1[C@@H](O1)CCl LS30047 [1,0,0,1,0,0|1,0,0]=3 96 B5R1.3 C1[C@@H](O1)CO LS30048 [1,0,0,1,0,0|0,0,0]=2 97 B5R1.3 C1[C@H](O1)CO LS30049 [1,0,0,1,0,0|0,0,0]=2 98 B5R1.3 CC[C@@H]1CO1 LS30243 [1,0,0,1,0,0|1,0,0]=3 99 B5R1.3 CC[C@H]1CO1 LS30242 [1,0,0,1,0,0|1,0,0]=3 100 B7R1.1 C1C=CCC1CO LS40472 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.1 C1CNC[C@@H]1CO LS30145 [0,1,0,1,0,0|2,0,0]=4 102 B7R1.1 C1CNC[C@H]1CO LS30146 [0,1,0,1,0,0|2,0,0]=4 103 B7R1.1 C1C[C@@H](OC1)CN LS30245 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.1 C1C[C@H](OC1)CN LS30244 [0,1,0,1,0,0|2,0,0]=4 105 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,1,0,1,0,0|1,0,1]=4 106 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,1,0,1,0,0|0,0,1]=3 107 B7R1.3 C1CC(CNC1)O LS20687 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.3 C1CNCCC1O LS20318 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.3 C[C@@H]1COCCN1 LS30002 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.3 C[C@@H]1COCCN1 LS30011 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.3 C[C@H]1COCCN1 LS30012 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.3 C[C@H]1COCCN1 LS30156 [0,1,0,1,0,0|2,0,0]=4 113 B7R1.25 CC1(COC1)CO LS40343 [0,1,0,1,0,0|1,0,0]=3