0 B6R0.3 C(C(C(=O)O)Br)Br CUR-0100855 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.3 C(C(C(=O)O)N)O CUR-0101646 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.3 C(C(C(=O)O)N)S CUR-0101261 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.3 C([C@@H](C(=O)O)N)O CUR-0101109 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0004971 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0101810 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.3 CC(=O)C(=O)OC CUR-0100866 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.3 CCC(C(=O)N)Br CUR-0027495 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.3 CCC(C(=O)O)Br CUR-0102801 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.3 CCC(C(=O)O)N CUR-0010659 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.3 CCC(C(C)O)N CUR-0067426 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.3 CCC(C)C(=O)O CUR-0101619 [0,0,0,0,0,0|0,0,0]=0 12 B6R0.3 C\C(=N\O)\C(=O)C CUR-0101601 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 C(C#N)C(=O)N CUR-0015106 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 C(C#N)C(=O)O CUR-0011506 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.1 C(CBr)C(=O)O CUR-0102453 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.1 C(CCl)C(=O)Cl CUR-0009101 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 C(CCl)C(=O)O CUR-0008480 [1,0,0,0,0,0|1,0,0]=2 18 B5R0.1 C(CN)C(=O)O CUR-0006907 [1,0,0,0,0,0|1,0,0]=2 19 B5R0.1 C(CN)C(=O)[O-] CUR-0101293 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.1 C(CS)C(=O)O CUR-0101651 [1,0,0,0,0,0|1,0,0]=2 21 B5R0.1 CC(=O)COC CUR-0101516 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CC(CCO)O CUR-0003759 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CCCC(=O)C CUR-0026599 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.1 CCCC(=O)Cl CUR-0020308 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.1 CCCC(=O)O CUR-0020198 [1,0,0,0,0,0|0,0,0]=1 26 B5R0.1 CCCC(C)O CUR-0023615 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.1 CCC[N+](=O)[O-] CUR-0101527 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 CCOC(=O)C CUR-0101519 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 CCOC(=O)Cl CUR-0026181 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 CCOC(=O)N CUR-0100824 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 CNCC(=O)O CUR-0018005 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.1 COCC(=O)Cl CUR-0101665 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 COCC(=O)O CUR-0014449 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.1 CSCC(=N)N CUR-0100998 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 CSCC(=O)O CUR-0025987 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.1 C\C=C\C(=O)O CUR-0100765 [1,0,0,0,0,0|0,0,2]=3 37 B5R0.3 C(C(CO)O)O CUR-0012902 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.3 CC(CO)CO CUR-0101538 [1,0,0,0,0,0|1,0,1]=3 39 B5R0.3 CCC(C)CO CUR-0101523 [1,0,0,0,0,0|0,0,1]=2 40 B5R0.3 CCC(C)NN CUR-0004060 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.3 CCC(CC)Br CUR-0020873 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.3 CCC(CO)N CUR-0101528 [1,0,0,0,0,0|1,0,1]=3 43 B5R0.3 CC\C(=N/O)\N CUR-0010533 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.5 C(=O)(C(=O)O)O CUR-0022161 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.5 C(=O)(C(=O)O)O CUR-0100644 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.5 C(C(=O)Cl)(Cl)Cl CUR-0015043 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.5 C(C(=O)O)(Cl)Cl CUR-0017246 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.5 CC(=O)C(=O)C CUR-0014415 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.5 CC(=O)C(=O)O CUR-0101513 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.5 CC(=O)N(C)C CUR-0015735 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.5 CC(C(=N)N)Cl CUR-0013780 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.5 CC(C(=O)Br)Br CUR-0103656 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.5 CC(C(=O)C)Cl CUR-0002968 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.5 CC(C(=O)C)O CUR-0101517 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.5 CC(C(=O)Cl)Cl CUR-0025103 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.5 CC(C(=O)O)Cl CUR-0027467 [1,0,0,0,0,0|1,0,0]=2 57 B5R0.5 CC(C(=O)O)N CUR-0005753 [1,0,0,0,0,0|1,0,0]=2 58 B5R0.5 CC(C(=O)O)O CUR-0100772 [1,0,0,0,0,0|1,0,0]=2 59 B5R0.5 CC(C(=O)O)S CUR-0001712 [1,0,0,0,0,0|1,0,0]=2 60 B5R0.5 CC(C)C(=N)N CUR-0101000 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.5 CC(C)C(=O)C CUR-0101503 [1,0,0,0,0,0|1,0,0]=2 62 B5R0.5 CC(C)C(=O)Cl CUR-0101654 [1,0,0,0,0,0|1,0,0]=2 63 B5R0.5 CC(C)C(=O)O CUR-0023620 [1,0,0,0,0,0|0,0,0]=1 64 B5R0.5 CC(C)[N+](=O)[O-] CUR-0001597 [1,0,0,0,0,0|1,0,1]=3 65 B5R0.5 CN(C)C(=N)N CUR-0100903 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.5 CN(C)C(=O)Cl CUR-0021018 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.5 CN(C)C(=S)Cl CUR-0101854 [1,0,0,0,0,0|2,1,0]=4 68 B5R0.5 CN(C)C(=S)N CUR-0099857 [1,0,0,0,0,0|2,1,0]=4 69 B5R0.5 C[C@@H](C(=O)N)N CUR-0101872 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.5 C[C@@H](C(=O)O)N CUR-0101526 [1,0,0,0,0,0|1,0,0]=2 71 B7R0.5 C(CO)C(C(=O)O)N CUR-0009208 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.5 CCCC(C(=O)O)Br CUR-0020650 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.5 CCCC(C)C(C)N CUR-0034233 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.5 CCOC(=O)C(=O)C CUR-0021376 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.5 CCOC(=O)C(=O)Cl CUR-0102081 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.5 CCOC(=O)C(=O)N CUR-0013418 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.10 COC(=O)C(=O)OC CUR-0027911 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.10 COC(=O)C(CO)N CUR-0010591 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.13 CC(C)(CCl)C(=O)Cl CUR-0102514 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.15 CC(=O)C(OC)OC CUR-0009018 [0,1,0,0,0,0|2,0,0]=3 81 B7R0.15 CCC(CC)C(=O)O CUR-0101754 [0,1,0,0,0,0|0,0,0]=1 82 B7R0.15 CCN(CC)C(=S)N CUR-0015972 [0,1,0,0,0,0|2,1,0]=4 83 B7R0.15 CCN(CC)C(=S)[S-] CUR-0002046 [0,1,0,0,0,0|1,2,0]=4 84 B7R0.16 CC(=O)C(C(=O)C)Cl CUR-0004455 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.16 CC(C(=O)C)C(=O)C CUR-0101719 [0,1,0,0,0,0|1,0,1]=3 86 B7R0.16 CC(C(C(=O)O)N)O CUR-0101788 [0,1,0,0,0,0|1,0,0]=2 87 B7R0.16 CC(C)[C@@H](C(=O)O)N CUR-0016393 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.16 CC(C)[C@H](C(=O)O)N CUR-0101079 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CUR-0023309 [0,1,0,0,0,0|1,0,0]=2 90 B7R1.4 C1CC(=O)C(=O)C1 CUR-0061064 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.4 C1CC(=O)N(C1)N CUR-0099031 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.4 C1CC(C(C1)F)O CUR-0014122 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.4 C1CNC(=O)C1Br CUR-0004832 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.4 C1COC(=O)C1Br CUR-0012154 [0,0,0,1,0,0|1,0,0]=2 95 B7R1.4 C1CSC(=O)C1N CUR-0025625 [0,0,0,1,0,0|1,1,0]=3 96 B7R1.4 C1[C@H](C(=O)NO1)N CUR-0101615 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.4 CN1CCCC1=O CUR-0101576 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.12 CC1CC1C(=O)O CUR-0100917 [0,0,0,1,0,0|0,0,0]=1 99 B7R1.18 C1C(CN1)C(=O)O CUR-0009104 [0,0,0,1,0,0|1,0,0]=2 100 B7R1.18 C1CC(C1)C(=O)Cl CUR-0016394 [0,0,0,1,0,0|1,0,0]=2 101 B7R1.18 C1CC(C1)C(=O)O CUR-0009068 [0,0,0,1,0,0|0,0,0]=1 102 B7R1.18 C1CNC1C(=O)O CUR-0081896 [0,0,0,1,0,0|1,0,0]=2 103 B7R1.19 C1CC1(C(=O)O)N CUR-0010902 [0,0,0,1,0,0|1,0,0]=2 104 B7R0.2 CCC(C)CC(=O)O CUR-0101758 [0,0,0,0,0,1|0,0,0]=1 105 B4R0.1 C#CC(=O)O CUR-0101441 [2,0,0,0,0,0|0,0,2]=4 106 B4R0.1 C(=O)C(=O)O CUR-0021308 [2,0,0,0,0,0|1,0,1]=4 107 B4R0.1 C(C(=O)Br)Br CUR-0006369 [2,0,0,0,0,0|2,0,0]=4 108 B4R0.1 C(C(=O)Cl)Cl CUR-0004550 [2,0,0,0,0,0|2,0,0]=4 109 B4R0.1 C(C(=O)N)Br CUR-0014813 [2,0,0,0,0,0|2,0,0]=4 110 B4R0.1 C(C(=O)N)Cl CUR-0007516 [2,0,0,0,0,0|2,0,0]=4 111 B4R0.1 C(C(=O)N)N CUR-0101687 [2,0,0,0,0,0|2,0,0]=4 112 B4R0.1 C(C(=O)N)O CUR-0113957 [2,0,0,0,0,0|2,0,0]=4 113 B4R0.1 C(C(=O)O)Br CUR-0100788 [2,0,0,0,0,0|1,0,0]=3 114 B4R0.1 C(C(=O)O)Cl CUR-0003311 [2,0,0,0,0,0|1,0,0]=3 115 B4R0.1 C(C(=O)O)I CUR-0003176 [2,0,0,0,0,0|1,0,0]=3 116 B4R0.1 C(C(=O)O)N CUR-0014574 [2,0,0,0,0,0|1,0,0]=3 117 B4R0.1 C(C(=O)O)N CUR-0101231 [2,0,0,0,0,0|1,0,0]=3 118 B4R0.1 C(C(=O)O)O CUR-0014667 [2,0,0,0,0,0|1,0,0]=3 119 B4R0.1 C(C(=O)O)S CUR-0101545 [2,0,0,0,0,0|1,0,0]=3 120 B4R0.1 C=CC(=O)O CUR-0028045 [2,0,0,0,0,0|0,0,2]=4 121 B4R0.1 CC(=C)C=O CUR-0101443 [2,0,0,0,0,0|0,0,2]=4 122 B4R0.1 CC(=C)CCl CUR-0011941 [2,0,0,0,0,0|1,0,1]=4 123 B4R0.1 CC(=C)OC CUR-0101450 [2,0,0,0,0,0|1,0,1]=4 124 B4R0.1 CC(=O)C=O CUR-0101448 [2,0,0,0,0,0|1,0,1]=4 125 B4R0.1 CC(=O)CCl CUR-0002239 [2,0,0,0,0,0|1,0,1]=4 126 B4R0.1 CC(=O)CO CUR-0005016 [2,0,0,0,0,0|1,0,1]=4 127 B4R0.1 CC(C#C)O CUR-0101444 [2,0,0,0,0,0|0,0,2]=4 128 B4R0.1 CC(C)C#N CUR-0009528 [2,0,0,0,0,0|1,0,1]=4 129 B4R0.1 CC(C)C=O CUR-0017872 [2,0,0,0,0,0|0,0,0]=2 130 B4R0.1 CC(C)CBr CUR-0024115 [2,0,0,0,0,0|1,0,1]=4 131 B4R0.1 CC(C)CI CUR-0028804 [2,0,0,0,0,0|1,0,1]=4 132 B4R0.1 CC(C)CN CUR-0020747 [2,0,0,0,0,0|1,0,1]=4 133 B4R0.1 CC(C)CO CUR-0012302 [2,0,0,0,0,0|0,0,1]=3 134 B4R0.1 CC(C)NN CUR-0014509 [2,0,0,0,0,0|2,0,0]=4 135 B4R0.1 CC(CN)N CUR-0101461 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.1 CC(CN)O CUR-0024952 [2,0,0,0,0,0|1,0,0]=3 137 B4R0.1 CC(CN)S CUR-0003165 [2,0,0,0,0,0|1,1,0]=4 138 B4R0.1 CC(CO)O CUR-0022593 [2,0,0,0,0,0|1,0,0]=3 139 B4R0.1 CC(CS)N CUR-0021165 [2,0,0,0,0,0|2,0,0]=4 140 B4R0.1 CCC(=O)Cl CUR-0101547 [2,0,0,0,0,0|1,0,0]=3 141 B4R0.1 CCC(=O)N CUR-0101453 [2,0,0,0,0,0|1,0,0]=3 142 B4R0.1 CCC(=O)O CUR-0010221 [2,0,0,0,0,0|0,0,0]=2 143 B4R0.1 CCC(C)Br CUR-0102085 [2,0,0,0,0,0|1,0,0]=3 144 B4R0.1 CCC(C)I CUR-0055396 [2,0,0,0,0,0|1,0,0]=3 145 B4R0.1 CCC(C)N CUR-0001789 [2,0,0,0,0,0|1,0,0]=3 146 B4R0.1 CCN(C)C CUR-0101456 [2,0,0,0,0,0|1,0,1]=4 147 B4R0.1 CC[N+](=O)[O-] CUR-0012449 [2,0,0,0,0,0|1,0,1]=4 148 B4R0.1 CNC(=O)N CUR-0025342 [2,0,0,0,0,0|2,0,0]=4 149 B4R0.1 COC(=O)Cl CUR-0019109 [2,0,0,0,0,0|2,0,0]=4 150 B4R0.2 C(CN)CO CUR-0005687 [2,0,0,0,0,0|1,0,1]=4 151 B4R0.2 C(CO)CCl CUR-0004180 [2,0,0,0,0,0|1,0,1]=4 152 B4R0.2 C(CO)CO CUR-0007262 [2,0,0,0,0,0|1,0,1]=4 153 B4R0.2 C=CCCBr CUR-0002027 [2,0,0,0,0,0|2,0,0]=4 154 B4R0.2 C=CCCI CUR-0000685 [2,0,0,0,0,0|2,0,0]=4 155 B4R0.2 C=CCCO CUR-0101449 [2,0,0,0,0,0|2,0,0]=4 156 B4R0.2 CCCC#N CUR-0101440 [2,0,0,0,0,0|1,0,1]=4 157 B4R0.2 CCCC=O CUR-0100896 [2,0,0,0,0,0|0,0,0]=2 158 B4R0.2 CCCCBr CUR-0023794 [2,0,0,0,0,0|1,0,1]=4 159 B4R0.2 CCCCCl CUR-0023945 [2,0,0,0,0,0|1,0,1]=4 160 B4R0.2 CCCCI CUR-0001021 [2,0,0,0,0,0|1,0,1]=4 161 B4R0.2 CCCCN CUR-0017800 [2,0,0,0,0,0|1,0,1]=4 162 B4R0.2 CCCCN CUR-0101317 [2,0,0,0,0,0|1,0,1]=4 163 B4R0.2 CCCCO CUR-0016718 [2,0,0,0,0,0|0,0,1]=3 164 B4R0.2 CCCNN CUR-0022831 [2,0,0,0,0,0|2,0,0]=4 165 B4R0.2 CCN=C=O CUR-0101447 [2,0,0,0,0,0|1,0,1]=4 166 B4R0.2 CCOC=C CUR-0100764 [2,0,0,0,0,0|2,0,0]=4 167 B4R0.2 CCOC=O CUR-0010493 [2,0,0,0,0,0|1,0,0]=3 168 B4R0.2 CNCCO CUR-0011813 [2,0,0,0,0,0|1,0,1]=4 169 B4R0.2 COCCO CUR-0101466 [2,0,0,0,0,0|1,0,1]=4 170 B4R0.2 C\C=C\C=O CUR-0001472 [2,0,0,0,0,0|0,0,2]=4 171 B6R0.1 CCC(=O)OCC CUR-0101621 [1,1,0,0,0,0|2,0,0]=4 172 B6R0.1 CCCC(C)C=O CUR-0101597 [1,1,0,0,0,0|1,0,1]=4 173 B6R0.1 CCNC(=O)C#C CUR-0067040 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.1 CCNC(=O)CCl CUR-0099539 [1,1,0,0,0,0|2,0,0]=4 175 B6R0.1 CCOC(=O)C#C CUR-0101411 [1,1,0,0,0,0|2,0,0]=4 176 B6R0.1 CCOC(=O)C#N CUR-0012085 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.1 CCOC(=O)C=C CUR-0027721 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.1 CCOC(=O)C=O CUR-0101612 [1,1,0,0,0,0|1,0,1]=4 179 B6R0.1 CCOC(=O)CBr CUR-0001682 [1,1,0,0,0,0|2,0,0]=4 180 B6R0.1 CCOC(=O)CCl CUR-0015757 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.1 CCOC(=O)CF CUR-0101650 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.1 CCOC(=O)CN CUR-0024509 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.1 CCOC(=O)CO CUR-0101638 [1,1,0,0,0,0|1,0,0]=3 184 B6R0.1 CNCC(=O)OC CUR-0102132 [1,1,0,0,0,0|1,0,0]=3 185 B6R0.1 COC(=O)CC#N CUR-0022414 [1,1,0,0,0,0|1,0,1]=4 186 B6R0.1 COC(=O)CCS CUR-0005277 [1,1,0,0,0,0|1,0,0]=3 187 B6R0.1 COCC(=O)OC CUR-0101636 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.1 C\C=C\C(=O)OC CUR-0101585 [1,1,0,0,0,0|0,0,2]=4 189 B6R0.2 C(C(=O)O)C(=O)O CUR-0011839 [1,1,0,0,0,0|1,0,1]=4 190 B6R0.2 CC(=CC(=O)O)C CUR-0101587 [1,1,0,0,0,0|0,0,2]=4 191 B6R0.2 CC(=O)CC(=O)C CUR-0004776 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.2 CC(=O)CC(=O)N CUR-0101600 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.2 CC(C)CC(=O)C CUR-0017562 [1,1,0,0,0,0|1,0,0]=3 194 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [1,1,0,0,0,0|1,0,0]=3 195 B6R0.2 CC(C)CC(=O)O CUR-0017645 [1,1,0,0,0,0|0,0,0]=2 196 B6R0.2 CC(C)OC(=O)Cl CUR-0100902 [1,1,0,0,0,0|2,0,0]=4 197 B6R0.2 CC(OC(=O)Cl)Cl CUR-0007306 [1,1,0,0,0,0|2,0,0]=4 198 B6R0.4 C(CC(=O)Cl)CBr CUR-0103177 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.4 C(CC(=O)Cl)CCl CUR-0020663 [1,1,0,0,0,0|1,0,0]=3 200 B6R0.4 C(CC(=O)O)CN CUR-0010241 [1,1,0,0,0,0|0,0,0]=2 201 B6R0.4 C(CNC(=O)N)N CUR-0013187 [1,1,0,0,0,0|2,0,0]=4 202 B6R0.4 C=CCCC(=O)O CUR-0101586 [1,1,0,0,0,0|0,0,1]=3 203 B6R0.4 CC(=O)CCCCl CUR-0004280 [1,1,0,0,0,0|1,0,0]=3 204 B6R0.4 CCCCC(=O)C CUR-0101595 [1,1,0,0,0,0|1,0,0]=3 205 B6R0.4 CCCCC(=O)Cl CUR-0101805 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.4 CCCCC(=O)O CUR-0101620 [1,1,0,0,0,0|0,0,0]=2 207 B6R0.4 CCOCC(=O)O CUR-0101637 [1,1,0,0,0,0|0,0,0]=2 208 B6R0.4 COCCC(=O)O CUR-0012995 [1,1,0,0,0,0|0,0,0]=2 209 B6R0.5 C(CS(=O)(=O)O)N CUR-0006763 [1,1,0,0,0,0|2,0,0]=4 210 B6R0.5 CCCS(=O)(=O)Cl CUR-0006923 [1,1,0,0,0,0|1,0,1]=4 211 B6R0.8 CC(C)(CO)CO CUR-0101641 [1,1,0,0,0,0|1,0,1]=4 212 B6R0.8 CC(CO)(CO)N CUR-0101648 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.8 CCC(C)(C)CO CUR-0004648 [1,1,0,0,0,0|0,0,1]=3 214 B6R0.9 CCC(CC)C=O CUR-0009845 [1,1,0,0,0,0|0,0,0]=2 215 B6R0.9 COC(C=C)OC CUR-0011769 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O CUR-0102700 [1,1,0,0,0,0|2,0,0]=4 217 B6R0.7 C(=O)(C(F)(F)Cl)O CUR-0100968 [1,1,0,0,0,0|2,0,0]=4 218 B6R0.7 C(=O)(C(F)(F)F)O CUR-0012954 [1,1,0,0,0,0|2,0,0]=4 219 B6R0.7 CC(=O)C(C)(C)C CUR-0101594 [1,1,0,0,0,0|1,0,0]=3 220 B6R0.7 CC(C)(C(=O)O)N CUR-0019881 [1,1,0,0,0,0|0,0,0]=2 221 B6R0.7 CC(C)(C)C(=N)N CUR-0100926 [1,1,0,0,0,0|2,0,0]=4 222 B6R0.7 CC(C)(C)C(=O)Cl CUR-0008199 [1,1,0,0,0,0|1,0,0]=3 223 B6R0.7 CC(C)(C)C(=O)O CUR-0000758 [1,1,0,0,0,0|0,0,0]=2 224 B6R0.7 CC(C)(C)S(=O)N CUR-0101820 [1,1,0,0,0,0|2,0,0]=4 225 B6R0.7 CC(C)S(=O)(=O)Cl CUR-0102209 [1,1,0,0,0,0|1,0,1]=4 226 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N CUR-0122501 [0,1,0,0,0,1|0,0,0]=2 227 B8R0.5 CCOC(=O)CC(=O)O CUR-0100749 [0,1,0,0,0,1|1,0,1]=4 228 B8R0.16 CC(=O)CC(OC)OC CUR-0004159 [0,1,0,0,0,1|2,0,0]=4 229 B8R0.16 CCC(CC)CC(=O)O CUR-0002088 [0,1,0,0,0,1|0,0,0]=2 230 B8R0.19 CCC(=O)CC(=O)OC CUR-0009634 [0,1,0,0,0,1|1,0,1]=4 231 B8R0.23 CC(C(=O)C)NC(=O)C CUR-0101122 [0,1,0,0,0,1|1,0,1]=4 232 B8R0.3 CCC(C(=O)OCC)Br CUR-0103357 [0,2,0,0,0,0|1,0,0]=3 233 B8R0.3 CCOC(=O)C(CBr)Br CUR-0103955 [0,2,0,0,0,0|2,0,0]=4 234 B8R0.8 C(C[C@@H](C(=O)O)N)CN CUR-0101406 [0,2,0,0,0,0|1,0,0]=3 235 B8R0.8 CCCCC(C(=O)O)Br CUR-0103355 [0,2,0,0,0,0|1,0,0]=3 236 B8R0.8 CCCCC(C(=O)O)N CUR-0009588 [0,2,0,0,0,0|1,0,0]=3 237 B8R0.8 CSCCC(C(=O)O)N CUR-0020132 [0,2,0,0,0,0|1,0,0]=3 238 B8R0.8 CSCC[C@@H](C(=O)O)N CUR-0122285 [0,2,0,0,0,0|1,0,0]=3 239 B8R0.12 CC(C)(CCO)C(=O)[O-] CUR-0165398 [0,2,0,0,0,0|0,0,1]=3 240 B8R0.13 CCC(C)(C)C(=O)OC CUR-0163339 [0,2,0,0,0,0|0,0,0]=2 241 B8R0.20 COC(C(=O)OC)OC CUR-0102026 [0,2,0,0,0,0|1,0,0]=3 242 B8R0.36 CC(CO)(CO)C(=O)O CUR-0102027 [0,2,0,0,0,0|1,0,0]=3 243 B8R0.37 CC(C)(C(=O)O)C(=O)O CUR-0023735 [0,2,0,0,0,0|1,0,1]=4 244 B8R0.27 CC(C)(C)C(C(=O)O)N CUR-0009030 [0,2,0,0,0,0|1,0,0]=3 245 B6R1.2 C1CC(=O)C=C1 CUR-0001940 [1,0,0,1,0,0|1,0,1]=4 246 B6R1.2 C1CC(=O)NC1 CUR-0017206 [1,0,0,1,0,0|1,0,0]=3 247 B6R1.2 C1CC(=O)OC1 CUR-0101496 [1,0,0,1,0,0|0,0,0]=2 248 B6R1.2 C1CCC(=O)C1 CUR-0027028 [1,0,0,1,0,0|1,0,0]=3 249 B6R1.2 C1CCC(C1)O CUR-0021370 [1,0,0,1,0,0|1,0,1]=4 250 B6R1.2 C1CNC(=O)N1 CUR-0017995 [1,0,0,1,0,0|2,0,0]=4 251 B6R1.2 C1CNC(=O)N1 CUR-0101499 [1,0,0,1,0,0|2,0,0]=4 252 B6R1.2 C1COC(=O)N1 CUR-0101507 [1,0,0,1,0,0|1,0,0]=3 253 B6R1.2 C1CSCC1=O CUR-0101623 [1,0,0,1,0,0|2,0,0]=4 254 B6R1.11 C1CC1C(=O)Cl CUR-0101645 [1,0,0,1,0,0|1,0,0]=3 255 B6R1.11 C1CC1C(=O)O CUR-0027058 [1,0,0,1,0,0|0,0,0]=2 256 B6R1.11 CC(=O)C1CC1 CUR-0020622 [1,0,0,1,0,0|1,0,0]=3 257 B6R1.4 CC1CCC1N CUR-0163343 [1,0,0,1,0,0|1,0,1]=4 258 B6R1.4 CC1CCC1O CUR-0090358 [1,0,0,1,0,0|0,0,1]=3 259 B6R1.6 C1CC(C1)CBr CUR-0003993 [1,0,0,1,0,0|1,0,1]=4 260 B6R1.6 C1CC(C1)CO CUR-0022828 [1,0,0,1,0,0|0,0,1]=3 261 B6R1.6 C1CC(C1)NN CUR-0100630 [1,0,0,1,0,0|2,0,0]=4 262 B6R1.6 CNC1CCC1 CUR-0010771 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.1 C1C(CNC1=O)CBr CUR-0022348 [0,0,0,1,0,1|2,0,0]=4 264 B8R1.1 C1C(CNC1=O)CN CUR-0046714 [0,0,0,1,0,1|2,0,0]=4 265 B8R1.1 C1C(CNC1=O)CO CUR-0098527 [0,0,0,1,0,1|2,0,0]=4 266 B8R1.1 C1CC(=O)NC1CN CUR-0094491 [0,0,0,1,0,1|2,0,0]=4 267 B8R1.1 C1CC(=O)NC1CO CUR-0028114 [0,0,0,1,0,1|2,0,0]=4 268 B8R1.1 CNC1CC(=O)NC1 CUR-0011593 [0,0,0,1,0,1|2,0,0]=4 269 B8R1.4 CC1CCCC(=O)C1 CUR-0101702 [0,0,0,1,0,1|1,0,0]=3 270 B8R1.4 CC1CCCC(C1)O CUR-0017679 [0,0,0,1,0,1|1,0,1]=4 271 B8R1.5 C1CC(C(=O)NC1)Br CUR-0014307 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.5 C1CC(C(=O)OC1)Br CUR-0008409 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.5 C1CCC(=O)C(C1)Cl CUR-0101998 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.5 CC1C(=O)NCCN1 CUR-0001671 [0,1,0,1,0,0|1,0,0]=3 275 B8R1.5 CC1C(OCCN1)C CUR-0008066 [0,1,0,1,0,0|1,0,1]=4 276 B8R1.5 CC1CCCCC1=O CUR-0101703 [0,1,0,1,0,0|1,0,0]=3 277 B8R1.5 CN1CCNCC1=O CUR-0091495 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.7 C1C=CCC1C(=O)O CUR-0017055 [0,1,0,1,0,0|0,0,1]=3 279 B8R1.7 C1CC(NC1)C(=O)O CUR-0028986 [0,1,0,1,0,0|0,0,0]=2 280 B8R1.7 C1CC(OC1)C(=O)O CUR-0016168 [0,1,0,1,0,0|0,0,0]=2 281 B8R1.7 C1CCC(C1)C(=O)O CUR-0019739 [0,1,0,1,0,0|0,0,0]=2 282 B8R1.7 C1CNCC1C(=O)N CUR-0028604 [0,1,0,1,0,0|1,0,0]=3 283 B8R1.7 C1COCC1C(=N)N CUR-0165397 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.7 C1COCC1C(=O)O CUR-0024198 [0,1,0,1,0,0|0,0,0]=2 285 B8R1.7 C1CSC(S1)C(=O)O CUR-0011824 [0,1,0,1,0,0|1,0,0]=3 286 B8R1.7 C1C[C@@H](NC1)C(=O)O CUR-0100756 [0,1,0,1,0,0|0,0,0]=2 287 B8R1.7 C1C[C@H](NC1)C(=O)N CUR-0101723 [0,1,0,1,0,0|1,0,0]=3 288 B8R1.7 C1C[C@H](NC1)C(=O)O CUR-0101268 [0,1,0,1,0,0|0,0,0]=2 289 B8R1.7 C1[C@H](NCS1)C(=O)O CUR-0102015 [0,1,0,1,0,0|1,0,0]=3 290 B8R1.19 CC1(CCCC1=O)C CUR-0099926 [0,1,0,1,0,0|1,0,0]=3 291 B8R1.19 CC1(CCCC1O)C CUR-0056939 [0,1,0,1,0,0|1,0,1]=4 292 B8R1.23 C1C(CC1=O)C(=O)O CUR-0097339 [0,1,0,1,0,0|0,0,1]=3 293 B8R1.54 C1CC1C(C(=O)N)N CUR-0101299 [0,1,0,1,0,0|2,0,0]=4 294 B8R1.78 C1CC(C1)(C(=O)N)N CUR-0011550 [0,1,0,1,0,0|1,0,0]=3 295 B8R1.11 C1CC(=O)N(C1)CCl CUR-0095842 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.11 C1CC(C(C1)O)CN CUR-0017233 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.11 CNC1CCNC1=O CUR-0087614 [0,1,0,1,0,0|1,0,0]=3 298 B8R1.38 C1CC(C1)C(=O)CN CUR-0153392 [0,1,0,1,0,0|1,0,0]=3 299 B8R1.50 CN1CCC(C1=O)Br CUR-0011211 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.50 CN1CCC(C1=O)N CUR-0012125 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.50 CN1CCC(C1=O)O CUR-0013744 [0,1,0,1,0,0|1,0,0]=3 302 B8R1.50 CN1CCN(C1=O)C CUR-0101721 [0,1,0,1,0,0|2,0,0]=4