0 B9R1.6 B(C1=CCCCC1)(O)O LS00044 [0,0,0,0,0,0|1,0,3]=4 1 B9R1.6 B(C1CCCCC1)(O)O LS11159 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.6 C1CC(CNC1)C(=O)O LS20781 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.6 C1CCNC(C1)C(=O)O LS20780 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.6 C1CCN[C@@H](C1)C(=O)O LS30195 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.6 C1CNCCC1C(=O)N LS20797 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 C1CNCCC1C(=O)O LS20782 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.6 C1C[C@@H](CC=C1)C(=O)O LS00083 [0,0,0,0,0,0|0,0,2]=2 8 B8R1.2 C1CCC(CC1)C=O LS40273 [1,0,0,0,0,0|0,0,0]=1 9 B8R1.2 C1CCC(CC1)CN LS40038 [1,0,0,0,0,0|1,0,1]=3 10 B8R1.2 C1CCN(CC1)C=O LS20491 [1,0,0,0,0,0|1,0,0]=2 11 B8R1.2 C1CCOC(C1)CO LS20884 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.2 C1CNCCC1CN LS21222 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.2 C1COC[C@@H](N1)CO LS00103 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.2 C1COC[C@H](N1)CO LS00102 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.2 C1CO[C@@H](CN1)CO LS30134 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.2 CNC1CCCNC1 LS20138 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.2 CSC1CCNCC1 LS20119 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O LS30306 [0,1,0,0,0,0|0,0,0]=1 19 B10R1.13 CC(=O)N1CCC(=O)CC1 LS41887 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.13 CC1CCC(CC1)C(C)C LS41936 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.28 CC(C)(C)C1CCCCC1 LS40653 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.61 CN1CCCCC1C(=O)O LS20275 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.363 C1CCC(CC1)(C(=O)O)N LS41424 [0,1,0,0,0,0|0,0,0]=1 24 B8R0.7 B(CCCCCC)(O)O LS11158 [0,0,1,0,0,0|1,0,1]=3 25 B8R0.7 CC(=O)OCCCCBr LS41690 [0,0,1,0,0,0|3,0,0]=4 26 B8R0.8 CSCC[C@@H](C(=O)[O-])N LS41069 [0,0,1,0,0,0|2,0,1]=4 27 B10R2.62 C1CN2CCC1C(=O)C2 LS20486 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.7 B(C1CCCC1)(O)O LS11157 [0,0,0,0,1,0|1,0,1]=3 29 B8R1.7 C1C=CCC1C(=O)O LS41644 [0,0,0,0,1,0|0,0,2]=3 30 B8R1.7 C1CC(OC1)C(=O)O LS21156 [0,0,0,0,1,0|1,0,0]=2 31 B8R1.7 C1CNCC1C(=O)O LS20048 [0,0,0,0,1,0|1,0,0]=2 32 B8R1.7 C1C[C@@H](OC1)C(=O)O LS30181 [0,0,0,0,1,0|1,0,0]=2 33 B8R1.7 C1C[C@H](OC1)C(=O)O LS30180 [0,0,0,0,1,0|1,0,0]=2 34 B10R1.18 CC(=O)N[C@@H]1CCC=CC1 LS30040 [0,0,0,0,0,1|1,0,2]=4 35 B7R0.1 C(CCCF)CCO LS40659 [1,0,1,0,0,0|1,0,1]=4 36 B7R0.1 C(CCCO)CCN LS40173 [1,0,1,0,0,0|1,0,1]=4 37 B7R0.1 C(CCCS)CCO LS40174 [1,0,1,0,0,0|1,0,1]=4 38 B7R0.1 C=CCCCCCCl LS40295 [1,0,1,0,0,0|2,0,0]=4 39 B7R0.4 B(CCCCC)(O)O LS11156 [1,0,1,0,0,0|1,0,1]=4 40 B7R0.4 C(CCCl)CC(=O)Cl LS40493 [1,0,1,0,0,0|2,0,0]=4 41 B7R0.4 CCCCCC(=O)Cl LS40461 [1,0,1,0,0,0|1,0,0]=3 42 B7R0.5 C(CN)C(C(=O)O)N LS40104 [1,0,1,0,0,0|2,0,0]=4 43 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [1,0,1,0,0,0|1,0,0]=3 44 B7R0.15 CCC(CC)C(=O)[O-] LS00031 [1,0,1,0,0,0|0,0,1]=3 45 B7R1.3 C1CC(=O)CNC1 LS20136 [2,0,0,0,0,0|1,0,1]=4 46 B7R1.3 C1CC(=O)CNC1 LS20876 [2,0,0,0,0,0|1,0,1]=4 47 B7R1.3 C1CC(CNC1)O LS20687 [2,0,0,0,0,0|1,0,0]=3 48 B7R1.3 C1CCN(CC1)N LS20693 [2,0,0,0,0,0|2,0,0]=4 49 B7R1.3 C1CCN(CC1)N LS20694 [2,0,0,0,0,0|2,0,0]=4 50 B7R1.3 C1CCS(=O)CC1 LS40520 [2,0,0,0,0,0|1,0,0]=3 51 B7R1.3 C1CNCCC1Br LS20253 [2,0,0,0,0,0|2,0,0]=4 52 B7R1.3 C1CNCCC1N LS20678 [2,0,0,0,0,0|2,0,0]=4 53 B7R1.3 C1CNCCC1N LS20903 [2,0,0,0,0,0|2,0,0]=4 54 B7R1.3 C1CNCCC1O LS20318 [2,0,0,0,0,0|1,0,0]=3 55 B7R1.3 C1COCCC1=O LS40242 [2,0,0,0,0,0|1,0,1]=4 56 B7R1.3 C1CSCCC1=O LS40396 [2,0,0,0,0,0|1,0,1]=4 57 B7R1.3 C1C[C@@H](CNC1)N LS30004 [2,0,0,0,0,0|2,0,0]=4 58 B7R1.3 C1C[C@H](CNC1)N LS30290 [2,0,0,0,0,0|2,0,0]=4 59 B7R1.3 CC1CCCCN1 LS21158 [2,0,0,0,0,0|1,0,1]=4 60 B9R0.2 C(CCCBr)CCC(=O)O LS40309 [0,1,1,0,0,0|0,0,0]=2 61 B9R0.2 CCCCCCOC(=O)Cl LS41130 [0,1,1,0,0,0|1,0,0]=3 62 B9R0.7 C[C@H](CSC(=O)C)C(=O)O LS30262 [0,1,1,0,0,0|1,0,1]=4 63 B9R1.8 C1CCNC(C1)CCO LS21152 [1,1,0,0,0,0|1,0,1]=4 64 B9R1.11 COC(=O)C1=CCCC1 LS20758 [0,1,0,0,1,0|0,0,2]=4 65 B9R1.35 C1CC(=O)N[C@H]1C(=O)O LS30084 [0,1,0,0,1,0|1,0,1]=4 66 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O LS30143 [0,1,0,0,1,0|1,0,0]=3 67 B11R1.40 COC(=O)C[C@@H]1COCCN1 LS30216 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.16 CCOC(=O)C1CCCNC1 LS20466 [0,2,0,0,0,0|1,0,0]=3 69 B11R1.16 CCOC(=O)C1CCNCC1 LS20900 [0,2,0,0,0,0|1,0,0]=3 70 B11R1.16 CCOC(=O)C1CCNCC1 LS20901 [0,2,0,0,0,0|1,0,0]=3 71 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 LS30126 [0,2,0,0,0,0|1,0,0]=3 72 B9R1.33 CCCN1CCCC1=O LS40501 [0,0,1,1,0,0|2,0,0]=4 73 B7R1.1 C1CCC(C1)C=O LS41696 [1,0,0,0,1,0|0,0,0]=2 74 B7R1.1 C1CNC[C@@H]1CO LS30145 [1,0,0,0,1,0|1,0,1]=4 75 B7R1.1 C1CNC[C@H]1CO LS30146 [1,0,0,0,1,0|1,0,1]=4 76 B7R1.18 C1C(CN1)C(=O)O LS41152 [0,0,0,0,2,0|1,0,0]=3