0 B5R0.3 C(C(=O)CO)O LS41177 [0,0,0,0,0,0|2,0,1]=3 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|2,0,0]=2 3 B5R0.3 C([C@@H](CCl)O)N LS30231 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 C([C@@H](CCl)O)O LS30054 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 C([C@@H](CO)O)N LS30120 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.3 C([C@H](CCl)O)O LS30055 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.3 C([C@H](CO)O)N LS30267 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.3 C=C(CBr)CBr LS40790 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.3 C=C(CO)CO LS40793 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.3 CCC(CO)N LS40333 [0,0,0,0,0,0|1,0,0]=1 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 B5R0.3 COC(=O)CBr LS40562 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.3 COC(=O)CF LS40581 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 B(CC)(O)O LS11146 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 CC(=C)CO LS40522 [1,0,0,0,0,0|0,0,2]=3 17 B4R0.1 CC(=NO)C LS00155 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 CC(CCl)Cl LS40550 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 CC[C@@H](C)O LS30261 [1,0,0,0,0,0|0,0,0]=1 20 B4R0.1 CC[C@H](C)O LS30260 [1,0,0,0,0,0|0,0,0]=1 21 B4R0.1 COC(Cl)Cl LS00123 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 C[C@@H](CCl)O LS30025 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.1 C[C@@H](CO)Cl LS30257 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.1 C[C@@H](CO)N LS30252 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 C[C@@H](CO)O LS30238 [1,0,0,0,0,0|1,0,0]=2 26 B4R0.1 C[C@H](CCl)O LS30026 [1,0,0,0,0,0|1,0,0]=2 27 B4R0.1 C[C@H](CO)Cl LS30085 [1,0,0,0,0,0|1,0,0]=2 28 B4R0.1 C[C@H](CO)N LS30253 [1,0,0,0,0,0|1,0,0]=2 29 B4R0.1 C[C@H](CO)O LS30239 [1,0,0,0,0,0|1,0,0]=2 30 B4R0.2 C(CF)CF LS40664 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.2 C(CN)CBr LS00114 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.2 C(CO)CF LS40656 [1,0,0,0,0,0|1,0,0]=2 33 B4R0.2 C=CCCBr LS20765 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.2 C=CCCO LS40761 [1,0,0,0,0,0|0,0,2]=3 35 B4R0.2 CNCCO LS40382 [1,0,0,0,0,0|1,0,0]=2 36 B4R0.2 COCCBr LS40281 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.1 C(C#N)[C@@H](CCl)O LS30056 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.1 C(C#N)[C@H](CCl)O LS30057 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.1 CCOC(=O)CBr LS40563 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.1 CCOC(=O)CF LS40582 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.3 B(C(C)CC)(O)O LS11154 [0,1,0,0,0,0|1,0,0]=2 42 B6R0.3 CCC(=O)C(=O)O LS41883 [0,1,0,0,0,0|1,0,2]=4 43 B6R0.3 CCN(C)C(=O)Cl LS40081 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,1,0,0,0,0|1,0,1]=3 45 B6R0.8 CC(C)(CO)OC LS40980 [0,1,0,0,0,0|1,0,0]=2 46 B6R0.9 CCN(CC)CC LS40534 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.9 CCP(CC)CC LS41012 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.9 CC[SiH](CC)CC LS41206 [0,1,0,0,0,0|1,1,0]=3 49 B6R0.9 COC(CBr)OC LS41675 [0,1,0,0,0,0|2,0,0]=3 50 B6R1.2 C1CNCC1=O LS20898 [0,0,0,1,0,0|2,0,1]=4 51 B6R1.2 C1CNCC1N LS20700 [0,0,0,1,0,0|2,0,0]=3 52 B6R1.2 C1CNC[C@@H]1O LS30060 [0,0,0,1,0,0|2,0,0]=3 53 B6R1.2 C1CNC[C@@H]1O LS30061 [0,0,0,1,0,0|2,0,0]=3 54 B6R1.2 C1CNC[C@H]1N LS30070 [0,0,0,1,0,0|2,0,0]=3 55 B6R1.2 C1COCC1=O LS21051 [0,0,0,1,0,0|1,0,1]=3 56 B6R1.2 C1COCC1O LS21045 [0,0,0,1,0,0|1,0,0]=2 57 B6R1.2 C1COC[C@@H]1N LS30001 [0,0,0,1,0,0|1,0,0]=2 58 B6R1.2 C1COC[C@@H]1O LS30063 [0,0,0,1,0,0|1,0,0]=2 59 B6R1.2 C1COC[C@H]1O LS30020 [0,0,0,1,0,0|1,0,0]=2 60 B6R1.2 C1COC[C@H]1O LS30064 [0,0,0,1,0,0|1,0,0]=2 61 B6R1.2 C1CSCC1=O LS40268 [0,0,0,1,0,0|1,1,1]=4 62 B6R1.2 CC1=NCCC1 LS20850 [0,0,0,1,0,0|2,0,1]=4 63 B6R1.6 C1CC(C1)CBr LS40121 [0,0,0,1,0,0|1,0,0]=2 64 B6R1.6 C1CC(C1)CN LS40614 [0,0,0,1,0,0|1,0,0]=2 65 B6R1.6 C1CC(C1)CN LS40654 [0,0,0,1,0,0|1,0,0]=2 66 B6R1.6 C1CC(C1)CO LS41574 [0,0,0,1,0,0|0,0,0]=1 67 B6R1.7 C#CC1(CC1)N LS41861 [0,0,0,1,0,0|2,0,1]=4 68 B6R1.7 C1CC1(C#N)N LS40060 [0,0,0,1,0,0|2,0,1]=4 69 B6R1.7 CC1(CO1)CCl LS40232 [0,0,0,1,0,0|1,0,0]=2 70 B3R0.1 C(CCl)N LS40418 [2,0,0,0,0,0|2,0,0]=4 71 B3R0.1 C(CF)O LS40655 [2,0,0,0,0,0|1,0,0]=3 72 B3R0.1 C(CO)N LS41686 [2,0,0,0,0,0|1,0,0]=3 73 B3R0.1 CCNN LS40292 [2,0,0,0,0,0|2,0,0]=4 74 B3R0.1 CNOC LS41340 [2,0,0,0,0,0|2,0,0]=4 75 B3R0.2 B(C)(O)O LS11144 [2,0,0,0,0,0|2,0,0]=4 76 B3R0.2 BN(C)C LS00132 [2,0,0,0,0,0|2,0,0]=4 77 B3R0.2 CC(=O)O LS00077 [2,0,0,0,0,0|1,0,1]=4 78 B3R0.2 CC(C)[O-] LS60292 [2,0,0,0,0,0|0,0,1]=3 79 B3R0.2 CN(C)C LS41629 [2,0,0,0,0,0|1,0,0]=3 80 B3R0.2 CP(C)C LS41013 [2,0,0,0,0,0|1,0,0]=3 81 B5R0.1 B(CCC)(O)O LS11148 [1,1,0,0,0,0|2,0,0]=4 82 B5R0.1 C(CO)C(=O)O LS40008 [1,1,0,0,0,0|1,0,1]=4 83 B5R0.1 CC(CCO)N LS41893 [1,1,0,0,0,0|1,0,0]=3 84 B5R0.1 CCC[C@@H](C)O LS30259 [1,1,0,0,0,0|0,0,0]=2 85 B5R0.1 CCC[C@H](C)O LS30258 [1,1,0,0,0,0|0,0,0]=2 86 B5R0.1 CN(C)CCCl LS41162 [1,1,0,0,0,0|1,0,0]=3 87 B5R0.1 C[C@@H](CCO)N LS30207 [1,1,0,0,0,0|1,0,0]=3 88 B5R0.1 C[C@H](CCO)N LS30127 [1,1,0,0,0,0|1,0,0]=3 89 B5R0.4 C(C(Br)(Br)Br)O LS41233 [1,1,0,0,0,0|2,0,0]=4 90 B5R0.4 CC(C)(C)C=C LS40301 [1,1,0,0,0,0|0,0,2]=4 91 B5R0.4 CC(C)(C)CO LS40233 [1,1,0,0,0,0|0,0,0]=2 92 B5R0.4 CC(C)(CCl)O LS40441 [1,1,0,0,0,0|1,0,0]=3 93 B5R0.4 CC(CO)(F)F LS41182 [1,1,0,0,0,0|1,0,0]=3 94 B5R0.5 B(C(C)C)(O)O LS11150 [1,1,0,0,0,0|1,0,0]=3 95 B5R0.5 CC(C(=O)O)Br LS40410 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [1,1,0,0,0,0|1,0,1]=4 98 B5R0.2 C(CC#N)CCl LS40416 [1,1,0,0,0,0|1,0,1]=4 99 B5R0.2 C(CCBr)CBr LS40910 [1,1,0,0,0,0|1,0,0]=3 100 B5R0.2 C(CCF)CF LS40665 [1,1,0,0,0,0|1,0,0]=3 101 B5R0.2 C(CCF)CO LS40657 [1,1,0,0,0,0|0,0,0]=2 102 B5R0.2 C=CCCCBr LS20766 [1,1,0,0,0,0|1,0,1]=4 103 B5R0.2 COCCC#N LS40792 [1,1,0,0,0,0|1,0,1]=4 104 B5R0.2 COCCCBr LS40222 [1,1,0,0,0,0|1,0,0]=3 105 B7R0.2 CCC(C)CC(C)N LS41471 [0,2,0,0,0,0|1,0,0]=3 106 B7R0.5 C(CN)C(C(=O)O)N LS40104 [0,2,0,0,0,0|1,0,1]=4 107 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [0,2,0,0,0,0|1,0,1]=4 108 B7R0.5 CCOC(=O)[C@@H](C)O LS30021 [0,2,0,0,0,0|1,0,1]=4 109 B7R0.10 C(C(C(CO)Br)Br)O LS41719 [0,2,0,0,0,0|1,0,0]=3 110 B7R0.12 COCC(OC)OC LS40169 [0,2,0,0,0,0|1,0,0]=3 111 B7R0.13 CCC(C)(C)C(=O)Cl LS41205 [0,2,0,0,0,0|0,0,2]=4 112 B7R0.13 CCC(C)(C)C(=O)O LS41203 [0,2,0,0,0,0|0,0,1]=3 113 B7R0.15 CCC(CC)C(=O)[O-] LS00031 [0,2,0,0,0,0|0,0,2]=4 114 B5R1.2 C1C(=O)CO1 LS41911 [1,0,0,1,0,0|1,0,1]=4 115 B5R1.2 C1C(CN1)O LS40392 [1,0,0,1,0,0|1,0,0]=3 116 B5R1.2 C1C(CO1)I LS41126 [1,0,0,1,0,0|1,0,0]=3 117 B5R1.2 C1CC(=O)C1 LS40231 [1,0,0,1,0,0|0,0,2]=4 118 B5R1.3 C1[C@@H](O1)CCl LS30047 [1,0,0,1,0,0|1,0,0]=3 119 B5R1.3 C1[C@@H](O1)CO LS30048 [1,0,0,1,0,0|1,0,0]=3 120 B5R1.3 C1[C@H](O1)CO LS30049 [1,0,0,1,0,0|1,0,0]=3 121 B5R1.3 CC[C@@H]1CO1 LS30243 [1,0,0,1,0,0|0,0,0]=2 122 B5R1.3 CC[C@H]1CO1 LS30242 [1,0,0,1,0,0|0,0,0]=2 123 B7R1.1 C1C=CCC1CO LS40472 [0,1,0,1,0,0|0,0,1]=3 124 B7R1.1 C1CCC(C1)C=O LS41696 [0,1,0,1,0,0|0,0,2]=4 125 B7R1.1 C1CNC[C@@H]1CO LS30145 [0,1,0,1,0,0|0,0,0]=2 126 B7R1.1 C1CNC[C@H]1CO LS30146 [0,1,0,1,0,0|0,0,0]=2 127 B7R1.1 C1C[C@@H](OC1)CN LS30245 [0,1,0,1,0,0|1,0,0]=3 128 B7R1.1 C1C[C@H](OC1)CN LS30244 [0,1,0,1,0,0|1,0,0]=3 129 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,1,0,1,0,0|1,0,1]=4 130 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,1,0,1,0,0|1,0,1]=4 131 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,1,0,1,0,0|1,0,1]=4 132 B7R1.3 C1CC(CNC1)O LS20687 [0,1,0,1,0,0|2,0,0]=4 133 B7R1.3 C1CNCCC1Br LS20253 [0,1,0,1,0,0|2,0,0]=4 134 B7R1.3 C1CNCCC1N LS20678 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.3 C1CNCCC1N LS20903 [0,1,0,1,0,0|2,0,0]=4 136 B7R1.3 C1CNCCC1O LS20318 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.3 C1COC(=O)CO1 LS40469 [0,1,0,1,0,0|1,0,1]=4 138 B7R1.3 C1COCC(=O)N1 LS20467 [0,1,0,1,0,0|1,0,1]=4 139 B7R1.3 C1COCCC1=O LS40242 [0,1,0,1,0,0|1,0,1]=4 140 B7R1.3 C1C[C@@H](CNC1)N LS30004 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.3 C1C[C@H](CNC1)N LS30290 [0,1,0,1,0,0|2,0,0]=4 142 B7R1.3 CC1CCCCN1 LS21158 [0,1,0,1,0,0|1,0,0]=3 143 B7R1.3 CN1CCNCC1 LS20947 [0,1,0,1,0,0|2,0,0]=4 144 B7R1.3 C[C@@H]1CNCCN1 LS30176 [0,1,0,1,0,0|1,0,0]=3 145 B7R1.3 C[C@@H]1CNCCO1 LS30015 [0,1,0,1,0,0|1,0,0]=3 146 B7R1.3 C[C@@H]1COCCN1 LS30002 [0,1,0,1,0,0|0,0,0]=2 147 B7R1.3 C[C@@H]1COCCN1 LS30011 [0,1,0,1,0,0|0,0,0]=2 148 B7R1.3 C[C@H]1CNCCN1 LS30177 [0,1,0,1,0,0|1,0,0]=3 149 B7R1.3 C[C@H]1CNCCO1 LS30016 [0,1,0,1,0,0|1,0,0]=3 150 B7R1.3 C[C@H]1COCCN1 LS30012 [0,1,0,1,0,0|0,0,0]=2 151 B7R1.3 C[C@H]1COCCN1 LS30156 [0,1,0,1,0,0|0,0,0]=2 152 B7R1.4 C1COC(=O)C1Br LS40518 [0,1,0,1,0,0|1,0,1]=4 153 B7R1.25 CC1(COC1)CO LS40343 [0,1,0,1,0,0|0,0,0]=2 154 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [0,1,0,1,0,0|1,0,1]=4 155 B7R1.18 C1C(CN1)C(=O)O LS41152 [0,1,0,1,0,0|1,0,1]=4 156 B7R1.19 C1CC1(C(=O)O)N LS41411 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.19 C1CC1(C(=O)O)N LS41412 [0,1,0,1,0,0|1,0,1]=4