0 B6R0.2 C(C(=O)N)C(=O)N CUR-0021261 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 C(C(=O)N)C(=S)N CUR-0096493 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 C(C(=O)O)C(=O)O CUR-0011839 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.2 C(C(=O)[O-])[N+](=O)[O-] CUR-0019317 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.2 CC(=CC(=O)O)C CUR-0101587 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.2 CC(=O)CC(=O)C CUR-0004776 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.2 CC(=O)CC(=O)N CUR-0101600 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.2 CC(=O)NC(=S)N CUR-0002878 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.2 CC(C)CC(=O)C CUR-0017562 [0,0,0,0,0,0|0,0,0]=0 9 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.2 CC(C)CC(=O)O CUR-0017645 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.2 CC(C)NC(C)C CUR-0028446 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.2 CC(C)OC(=O)Cl CUR-0100902 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.2 CC(OC(=O)Cl)Cl CUR-0007306 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.1 C(C#N)C(=O)N CUR-0015106 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 C(C#N)C(=O)O CUR-0011506 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 C(CBr)C(=O)O CUR-0102453 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 C(CCl)C(=O)Cl CUR-0009101 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 C(CCl)C(=O)O CUR-0008480 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 C(CN)C(=O)O CUR-0006907 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 C(CN)C(=O)[O-] CUR-0101293 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 C(CS)C(=O)O CUR-0101651 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CC(=CCBr)C CUR-0059675 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CC(=CCCl)C CUR-0022594 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CC(=O)COC CUR-0101516 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.1 CC(=O)OC=C CUR-0001318 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.1 CC(C)CC#N CUR-0101228 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.1 CC(C)CC=O CUR-0101502 [1,0,0,0,0,0|0,0,0]=1 28 B5R0.1 CC(C)CCBr CUR-0002757 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.1 CC(C)CCN CUR-0101511 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.1 CC(C)CCO CUR-0003416 [1,0,0,0,0,0|0,0,2]=3 31 B5R0.1 CC(C)CNN CUR-0001046 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 CC(C)N=C=O CUR-0101492 [1,0,0,0,0,0|1,0,1]=3 33 B5R0.1 CC(C)N=C=S CUR-0101608 [1,0,0,0,0,0|1,1,1]=4 34 B5R0.1 CC(CCO)O CUR-0003759 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.1 CC(COC)N CUR-0101532 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.1 CC(CSC)N CUR-0019523 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 CCCC(=O)C CUR-0026599 [1,0,0,0,0,0|0,0,0]=1 38 B5R0.1 CCCC(=O)Cl CUR-0020308 [1,0,0,0,0,0|1,0,0]=2 39 B5R0.1 CCCC(=O)O CUR-0020198 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 CCCC(C)O CUR-0023615 [1,0,0,0,0,0|0,0,2]=3 41 B5R0.1 CCC[N+](=O)[O-] CUR-0101527 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 CCOC(=O)C CUR-0101519 [1,0,0,0,0,0|1,0,0]=2 43 B5R0.1 CCOC(=O)Cl CUR-0026181 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 CCOC(=O)N CUR-0100824 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 CN(C)CCCl CUR-0017041 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 CN(C)CCN CUR-0101525 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 CN(C)CCO CUR-0019188 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.1 CNCC(=O)O CUR-0018005 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 COCC(=O)Cl CUR-0101665 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 COCC(=O)O CUR-0014449 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.1 CSCC(=N)N CUR-0100998 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 CSCC(=O)O CUR-0025987 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.1 C\C=C\C(=O)O CUR-0100765 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.2 CC(=O)CC(=O)OC CUR-0018522 [0,1,0,0,0,0|1,0,1]=3 55 B7R0.2 CC(C)CC(=O)C=C CUR-0050915 [0,1,0,0,0,0|0,0,1]=2 56 B7R0.2 CC(C)OC(=O)CCl CUR-0013704 [0,1,0,0,0,0|1,0,0]=2 57 B7R0.2 CCC(C)CC(=O)O CUR-0101758 [0,1,0,0,0,0|1,0,0]=2 58 B7R0.2 CN(C)CC(CO)N CUR-0048488 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.2 CN(C)CC(CO)N CUR-0163315 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.9 C(C(=O)O)C(F)(F)F CUR-0101914 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.9 CC(=O)CC(C)(C)O CUR-0020852 [0,1,0,0,0,0|0,0,0]=1 62 B7R0.9 CC(=O)OC(C)(C)C CUR-0001433 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.9 CC(C)(C)CC(=O)Cl CUR-0102044 [0,1,0,0,0,0|1,0,0]=2 64 B7R0.9 CC(C)(C)CC(=O)O CUR-0101757 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.9 CC(C)(C)OC(=O)N CUR-0100962 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.9 CC(C)CS(=O)(=O)Cl CUR-0102552 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.16 CC(=O)C(C(=O)C)Cl CUR-0004455 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.16 CC(C(=O)C)C(=O)C CUR-0101719 [0,1,0,0,0,0|1,0,1]=3 69 B7R0.16 CC(C(C(=O)O)N)O CUR-0101788 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.16 CC(C)[C@@H](C(=O)O)N CUR-0016393 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.16 CC(C)[C@H](C(=O)O)N CUR-0101079 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CUR-0023309 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.2 C1C(=O)CNC1=O CUR-0122247 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.2 C1C(=O)COC1=O CUR-0100913 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.2 C1C(CNC1=O)N CUR-0087034 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.2 C1CC(=O)CC1=O CUR-0010695 [0,0,0,1,0,0|1,0,1]=3 77 B7R1.2 C1CC(=O)NC1=O CUR-0005450 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.2 C1CC(=O)OC1=O CUR-0017714 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.2 CC1CCC(=O)N1 CUR-0016557 [0,0,0,1,0,0|1,0,0]=2 80 B7R1.2 CC1CCC(=O)O1 CUR-0101591 [0,0,0,1,0,0|1,0,0]=2 81 B7R1.2 CC1COC(=O)O1 CUR-0101613 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.12 CC1CC1C(=O)O CUR-0100917 [0,0,0,1,0,0|1,0,0]=2 83 B7R1.20 C1CC1CC(=O)O CUR-0101588 [0,0,0,1,0,0|1,0,0]=2 84 B5R0.5 C(C(=O)Cl)(Cl)Cl CUR-0015043 [0,0,0,0,1,0|3,0,0]=4 85 B5R0.5 C(C(=O)O)(Cl)Cl CUR-0017246 [0,0,0,0,1,0|3,0,0]=4 86 B5R0.5 CC(=O)C(=O)C CUR-0014415 [0,0,0,0,1,0|1,0,1]=3 87 B5R0.5 CC(=O)C(=O)O CUR-0101513 [0,0,0,0,1,0|2,0,1]=4 88 B5R0.5 CC(=O)N(C)C CUR-0015735 [0,0,0,0,1,0|1,0,0]=2 89 B5R0.5 CC(C(=N)N)Cl CUR-0013780 [0,0,0,0,1,0|3,0,0]=4 90 B5R0.5 CC(C(=O)Br)Br CUR-0103656 [0,0,0,0,1,0|2,0,0]=3 91 B5R0.5 CC(C(=O)C)Cl CUR-0002968 [0,0,0,0,1,0|1,0,0]=2 92 B5R0.5 CC(C(=O)C)O CUR-0101517 [0,0,0,0,1,0|1,0,0]=2 93 B5R0.5 CC(C(=O)Cl)Cl CUR-0025103 [0,0,0,0,1,0|2,0,0]=3 94 B5R0.5 CC(C(=O)O)Cl CUR-0027467 [0,0,0,0,1,0|2,0,0]=3 95 B5R0.5 CC(C(=O)O)N CUR-0005753 [0,0,0,0,1,0|2,0,0]=3 96 B5R0.5 CC(C(=O)O)O CUR-0100772 [0,0,0,0,1,0|2,0,0]=3 97 B5R0.5 CC(C(=O)O)S CUR-0001712 [0,0,0,0,1,0|2,0,0]=3 98 B5R0.5 CC(C(C)Br)Br CUR-0103657 [0,0,0,0,1,0|2,0,1]=4 99 B5R0.5 CC(C)C(=N)N CUR-0101000 [0,0,0,0,1,0|2,0,0]=3 100 B5R0.5 CC(C)C(=O)C CUR-0101503 [0,0,0,0,1,0|0,0,0]=1 101 B5R0.5 CC(C)C(=O)Cl CUR-0101654 [0,0,0,0,1,0|1,0,0]=2 102 B5R0.5 CC(C)C(=O)O CUR-0023620 [0,0,0,0,1,0|1,0,0]=2 103 B5R0.5 CC(C)[N+](=O)[O-] CUR-0001597 [0,0,0,0,1,0|2,0,0]=3 104 B5R0.5 CN(C)C(=N)N CUR-0100903 [0,0,0,0,1,0|3,0,0]=4 105 B5R0.5 CN(C)C(=O)Cl CUR-0021018 [0,0,0,0,1,0|2,0,0]=3 106 B5R0.5 CN(C)C(=S)Cl CUR-0101854 [0,0,0,0,1,0|2,1,0]=4 107 B5R0.5 CN(C)C(=S)N CUR-0099857 [0,0,0,0,1,0|2,1,0]=4 108 B5R0.5 C[C@@H](C(=O)N)N CUR-0101872 [0,0,0,0,1,0|2,0,0]=3 109 B5R0.5 C[C@@H](C(=O)O)N CUR-0101526 [0,0,0,0,1,0|2,0,0]=3 110 B7R0.6 CC(=O)CCC(=O)C CUR-0022649 [0,0,0,0,0,1|1,0,1]=3 111 B7R0.6 CC(=O)CCC(=O)O CUR-0012941 [0,0,0,0,0,1|2,0,1]=4 112 B7R0.6 CC(=O)NCC(=O)O CUR-0024688 [0,0,0,0,0,1|2,0,1]=4 113 B7R0.6 CC(=O)OCC(=O)Cl CUR-0102082 [0,0,0,0,0,1|2,0,1]=4 114 B7R0.6 CC(C)COC(=O)Cl CUR-0020162 [0,0,0,0,0,1|1,0,0]=2 115 B7R0.6 CN(C)CCN(C)C CUR-0001051 [0,0,0,0,0,1|3,0,0]=4 116 B4R0.1 C(C(=O)Br)Br CUR-0006369 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.1 C(C(=O)Cl)Cl CUR-0004550 [2,0,0,0,0,0|2,0,0]=4 118 B4R0.1 C(C(=O)N)Br CUR-0014813 [2,0,0,0,0,0|2,0,0]=4 119 B4R0.1 C(C(=O)N)Cl CUR-0007516 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.1 C(C(=O)N)N CUR-0101687 [2,0,0,0,0,0|2,0,0]=4 121 B4R0.1 C(C(=O)N)O CUR-0113957 [2,0,0,0,0,0|2,0,0]=4 122 B4R0.1 C(C(=O)O)Br CUR-0100788 [2,0,0,0,0,0|2,0,0]=4 123 B4R0.1 C(C(=O)O)Cl CUR-0003311 [2,0,0,0,0,0|2,0,0]=4 124 B4R0.1 C(C(=O)O)I CUR-0003176 [2,0,0,0,0,0|2,0,0]=4 125 B4R0.1 C(C(=O)O)N CUR-0014574 [2,0,0,0,0,0|2,0,0]=4 126 B4R0.1 C(C(=O)O)N CUR-0101231 [2,0,0,0,0,0|2,0,0]=4 127 B4R0.1 C(C(=O)O)O CUR-0014667 [2,0,0,0,0,0|2,0,0]=4 128 B4R0.1 C(C(=O)O)S CUR-0101545 [2,0,0,0,0,0|2,0,0]=4 129 B4R0.1 CC(=C)C=O CUR-0101443 [2,0,0,0,0,0|0,0,2]=4 130 B4R0.1 CC(=C)CCl CUR-0011941 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.1 CC(=C)OC CUR-0101450 [2,0,0,0,0,0|2,0,0]=4 132 B4R0.1 CC(=O)C=C CUR-0013098 [2,0,0,0,0,0|0,0,2]=4 133 B4R0.1 CC(=O)C=O CUR-0101448 [2,0,0,0,0,0|1,0,1]=4 134 B4R0.1 CC(=O)CCl CUR-0002239 [2,0,0,0,0,0|1,0,0]=3 135 B4R0.1 CC(=O)CO CUR-0005016 [2,0,0,0,0,0|1,0,0]=3 136 B4R0.1 CC(C)C#N CUR-0009528 [2,0,0,0,0,0|1,0,1]=4 137 B4R0.1 CC(C)C=O CUR-0017872 [2,0,0,0,0,0|0,0,0]=2 138 B4R0.1 CC(C)CBr CUR-0024115 [2,0,0,0,0,0|1,0,0]=3 139 B4R0.1 CC(C)CI CUR-0028804 [2,0,0,0,0,0|1,0,0]=3 140 B4R0.1 CC(C)CN CUR-0020747 [2,0,0,0,0,0|1,0,0]=3 141 B4R0.1 CC(C)CO CUR-0012302 [2,0,0,0,0,0|0,0,1]=3 142 B4R0.1 CC(C)NN CUR-0014509 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.1 CC(CN)N CUR-0101461 [2,0,0,0,0,0|2,0,0]=4 144 B4R0.1 CC(CN)O CUR-0024952 [2,0,0,0,0,0|2,0,0]=4 145 B4R0.1 CC(CN)S CUR-0003165 [2,0,0,0,0,0|2,0,0]=4 146 B4R0.1 CC(CO)O CUR-0022593 [2,0,0,0,0,0|1,0,1]=4 147 B4R0.1 CC(CS)N CUR-0021165 [2,0,0,0,0,0|1,1,0]=4 148 B4R0.1 CCC(=O)Cl CUR-0101547 [2,0,0,0,0,0|1,0,0]=3 149 B4R0.1 CCC(=O)N CUR-0101453 [2,0,0,0,0,0|1,0,0]=3 150 B4R0.1 CCC(=O)O CUR-0010221 [2,0,0,0,0,0|1,0,0]=3 151 B4R0.1 CCC(C)Br CUR-0102085 [2,0,0,0,0,0|1,0,0]=3 152 B4R0.1 CCC(C)I CUR-0055396 [2,0,0,0,0,0|1,0,0]=3 153 B4R0.1 CCC(C)N CUR-0001789 [2,0,0,0,0,0|1,0,0]=3 154 B4R0.1 CCN(C)C CUR-0101456 [2,0,0,0,0,0|1,0,0]=3 155 B4R0.1 CC[N+](=O)[O-] CUR-0012449 [2,0,0,0,0,0|2,0,0]=4 156 B4R0.1 CNC(=O)N CUR-0025342 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.1 COC(=O)Cl CUR-0019109 [2,0,0,0,0,0|2,0,0]=4 158 B4R0.2 C=CCCBr CUR-0002027 [2,0,0,0,0,0|1,0,1]=4 159 B4R0.2 C=CCCI CUR-0000685 [2,0,0,0,0,0|1,0,1]=4 160 B4R0.2 C=CCCO CUR-0101449 [2,0,0,0,0,0|1,0,1]=4 161 B4R0.2 CCCC#N CUR-0101440 [2,0,0,0,0,0|1,0,1]=4 162 B4R0.2 CCCC=O CUR-0100896 [2,0,0,0,0,0|0,0,0]=2 163 B4R0.2 CCCCBr CUR-0023794 [2,0,0,0,0,0|1,0,1]=4 164 B4R0.2 CCCCCl CUR-0023945 [2,0,0,0,0,0|1,0,1]=4 165 B4R0.2 CCCCI CUR-0001021 [2,0,0,0,0,0|1,0,1]=4 166 B4R0.2 CCCCN CUR-0017800 [2,0,0,0,0,0|1,0,1]=4 167 B4R0.2 CCCCN CUR-0101317 [2,0,0,0,0,0|1,0,1]=4 168 B4R0.2 CCCCO CUR-0016718 [2,0,0,0,0,0|0,0,2]=4 169 B4R0.2 CCCNN CUR-0022831 [2,0,0,0,0,0|2,0,0]=4 170 B4R0.2 CCN=C=O CUR-0101447 [2,0,0,0,0,0|1,0,1]=4 171 B4R0.2 CCNCC CUR-0022731 [2,0,0,0,0,0|1,0,1]=4 172 B4R0.2 CCNCC CUR-0101285 [2,0,0,0,0,0|1,0,1]=4 173 B4R0.2 CCOC=C CUR-0100764 [2,0,0,0,0,0|1,0,1]=4 174 B4R0.2 CCOC=O CUR-0010493 [2,0,0,0,0,0|1,0,0]=3 175 B4R0.2 CNCCI CUR-0017490 [2,0,0,0,0,0|2,0,0]=4 176 B4R0.2 CNCCO CUR-0011813 [2,0,0,0,0,0|2,0,0]=4 177 B4R0.2 COCCBr CUR-0009505 [2,0,0,0,0,0|2,0,0]=4 178 B4R0.2 COCCCl CUR-0000941 [2,0,0,0,0,0|2,0,0]=4 179 B4R0.2 COCCN CUR-0012344 [2,0,0,0,0,0|2,0,0]=4 180 B4R0.2 COCCO CUR-0101466 [2,0,0,0,0,0|2,0,0]=4 181 B4R0.2 COCOC CUR-0101465 [2,0,0,0,0,0|2,0,0]=4 182 B4R0.2 CSCCN CUR-0101544 [2,0,0,0,0,0|2,0,0]=4 183 B4R0.2 C\C=C\C=O CUR-0001472 [2,0,0,0,0,0|0,0,2]=4 184 B6R0.1 CC(CCN)OC CUR-0122797 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.1 CC(CSC)NC CUR-0022342 [1,1,0,0,0,0|1,0,0]=3 186 B6R0.1 CCC(=O)OCC CUR-0101621 [1,1,0,0,0,0|1,0,0]=3 187 B6R0.1 CCCC(C)C=O CUR-0101597 [1,1,0,0,0,0|0,0,1]=3 188 B6R0.1 CCNC(=O)C#C CUR-0067040 [1,1,0,0,0,0|1,0,1]=4 189 B6R0.1 CCNC(=O)CCl CUR-0099539 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.1 CCOC(=O)C#C CUR-0101411 [1,1,0,0,0,0|1,0,1]=4 191 B6R0.1 CCOC(=O)C#N CUR-0012085 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.1 CCOC(=O)C=C CUR-0027721 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.1 CCOC(=O)C=O CUR-0101612 [1,1,0,0,0,0|1,0,1]=4 194 B6R0.1 CCOC(=O)CBr CUR-0001682 [1,1,0,0,0,0|1,0,0]=3 195 B6R0.1 CCOC(=O)CCl CUR-0015757 [1,1,0,0,0,0|1,0,0]=3 196 B6R0.1 CCOC(=O)CF CUR-0101650 [1,1,0,0,0,0|1,0,0]=3 197 B6R0.1 CCOC(=O)CN CUR-0024509 [1,1,0,0,0,0|1,0,0]=3 198 B6R0.1 CCOC(=O)CO CUR-0101638 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.1 CNC(=O)CC#N CUR-0098025 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.1 CNCC(=O)OC CUR-0102132 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.1 COC(=O)CC#N CUR-0022414 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.1 COC(=O)CCS CUR-0005277 [1,1,0,0,0,0|1,0,0]=3 203 B6R0.1 COCC(=O)OC CUR-0101636 [1,1,0,0,0,0|1,0,0]=3 204 B6R0.1 C\C=C\C(=O)OC CUR-0101585 [1,1,0,0,0,0|0,0,2]=4 205 B6R0.3 C(C(C(=O)O)Br)Br CUR-0100855 [1,1,0,0,0,0|2,0,0]=4 206 B6R0.3 C(C(C(=O)O)N)O CUR-0101646 [1,1,0,0,0,0|2,0,0]=4 207 B6R0.3 C(C(C(=O)O)N)S CUR-0101261 [1,1,0,0,0,0|2,0,0]=4 208 B6R0.3 C([C@@H](C(=O)O)N)O CUR-0101109 [1,1,0,0,0,0|2,0,0]=4 209 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0004971 [1,1,0,0,0,0|2,0,0]=4 210 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0101810 [1,1,0,0,0,0|2,0,0]=4 211 B6R0.3 CC(=O)C(=O)OC CUR-0100866 [1,1,0,0,0,0|1,0,1]=4 212 B6R0.3 CC(C)C(=N)OC CUR-0101310 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.3 CC(C)C(CN)O CUR-0027506 [1,1,0,0,0,0|1,0,1]=4 214 B6R0.3 CCC(C(=O)N)Br CUR-0027495 [1,1,0,0,0,0|1,0,0]=3 215 B6R0.3 CCC(C(=O)O)Br CUR-0102801 [1,1,0,0,0,0|1,0,0]=3 216 B6R0.3 CCC(C(=O)O)N CUR-0010659 [1,1,0,0,0,0|1,0,0]=3 217 B6R0.3 CCC(C(C)O)N CUR-0067426 [1,1,0,0,0,0|0,0,2]=4 218 B6R0.3 CCC(C)C(=O)O CUR-0101619 [1,1,0,0,0,0|1,0,0]=3 219 B6R0.4 C(CC(=O)Cl)CBr CUR-0103177 [1,1,0,0,0,0|1,0,0]=3 220 B6R0.4 C(CC(=O)Cl)CCl CUR-0020663 [1,1,0,0,0,0|1,0,0]=3 221 B6R0.4 C(CC(=O)O)CN CUR-0010241 [1,1,0,0,0,0|1,0,0]=3 222 B6R0.4 C(CNC(=O)N)N CUR-0013187 [1,1,0,0,0,0|2,0,0]=4 223 B6R0.4 C=CCCC(=O)O CUR-0101586 [1,1,0,0,0,0|1,0,1]=4 224 B6R0.4 CC(=O)CCCCl CUR-0004280 [1,1,0,0,0,0|0,0,0]=2 225 B6R0.4 CC(C)CCNN CUR-0019174 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.4 CC(C)CCON CUR-0153393 [1,1,0,0,0,0|0,0,2]=4 227 B6R0.4 CC(C)CN=C=O CUR-0095337 [1,1,0,0,0,0|0,0,1]=3 228 B6R0.4 CC(C)NCC#C CUR-0075482 [1,1,0,0,0,0|0,0,2]=4 229 B6R0.4 CC(C)NCCO CUR-0101633 [1,1,0,0,0,0|0,0,2]=4 230 B6R0.4 CCCCC(=O)C CUR-0101595 [1,1,0,0,0,0|0,0,0]=2 231 B6R0.4 CCCCC(=O)Cl CUR-0101805 [1,1,0,0,0,0|1,0,0]=3 232 B6R0.4 CCCCC(=O)O CUR-0101620 [1,1,0,0,0,0|1,0,0]=3 233 B6R0.4 CCOCC(=O)O CUR-0101637 [1,1,0,0,0,0|1,0,0]=3 234 B6R0.4 CN(C)CCCN CUR-0101628 [1,1,0,0,0,0|1,0,1]=4 235 B6R0.4 CN(C)CCCO CUR-0020324 [1,1,0,0,0,0|1,0,1]=4 236 B6R0.4 COCCC(=O)O CUR-0012995 [1,1,0,0,0,0|1,0,0]=3 237 B6R0.5 CC(C)(C)CC=O CUR-0101596 [1,1,0,0,0,0|0,0,0]=2 238 B6R0.5 CC(C)(C)CNN CUR-0101236 [1,1,0,0,0,0|2,0,0]=4 239 B6R0.5 CC(C)(C)N=C=O CUR-0101577 [1,1,0,0,0,0|1,0,1]=4 240 B6R0.5 CC(C)(C)ON=O CUR-0013641 [1,1,0,0,0,0|2,0,0]=4 241 B6R0.5 CC(C)(CCO)O CUR-0101415 [1,1,0,0,0,0|0,0,2]=4 242 B6R0.5 CCCS(=O)(=O)Cl CUR-0006923 [1,1,0,0,0,0|2,0,0]=4 243 B6R0.5 CS(=O)(=O)CCO CUR-0101869 [1,1,0,0,0,0|2,0,0]=4 244 B6R0.7 CC(=O)C(C)(C)C CUR-0101594 [0,1,0,0,1,0|0,0,0]=2 245 B6R0.7 CC(C)(C(=O)O)N CUR-0019881 [0,1,0,0,1,0|1,0,0]=3 246 B6R0.7 CC(C)(C)C(=N)N CUR-0100926 [0,1,0,0,1,0|2,0,0]=4 247 B6R0.7 CC(C)(C)C(=O)Cl CUR-0008199 [0,1,0,0,1,0|1,0,0]=3 248 B6R0.7 CC(C)(C)C(=O)O CUR-0000758 [0,1,0,0,1,0|1,0,0]=3 249 B6R0.7 CC(C)(C)S(=O)N CUR-0101820 [0,1,0,0,1,0|2,0,0]=4 250 B6R0.7 CC(C)S(=O)(=O)Cl CUR-0102209 [0,1,0,0,1,0|2,0,0]=4 251 B8R0.23 CC(=O)CC(=O)N(C)C CUR-0006335 [0,1,0,0,0,1|1,0,0]=3 252 B8R0.23 CC(C(=O)C)NC(=O)C CUR-0101122 [0,1,0,0,0,1|1,0,1]=4 253 B8R0.23 CC(C)CC(C(=O)O)N CUR-0101977 [0,1,0,0,0,1|1,0,0]=3 254 B8R0.23 CC(C)C[C@H](C(=O)O)N CUR-0101976 [0,1,0,0,0,1|1,0,0]=3 255 B8R0.29 CC(COC(C)(C)C)O CUR-0044050 [0,1,0,0,0,1|0,0,2]=4 256 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N CUR-0122501 [0,2,0,0,0,0|1,0,0]=3 257 B8R0.5 CCOC(=O)C=C(C)C CUR-0057497 [0,2,0,0,0,0|0,0,2]=4 258 B8R0.5 CCOC(=O)CC(=O)C CUR-0003002 [0,2,0,0,0,0|1,0,1]=4 259 B8R0.5 CCOC(=O)CC(C)C CUR-0101017 [0,2,0,0,0,0|0,0,0]=2 260 B8R0.5 CCOC(=O)CC(C)N CUR-0017477 [0,2,0,0,0,0|1,0,0]=3 261 B8R0.5 CCOC(=O)C[S+](C)C CUR-0022340 [0,2,0,0,0,0|1,0,0]=3 262 B8R0.16 CC(=O)CC(OC)OC CUR-0004159 [0,2,0,0,0,0|0,0,0]=2 263 B8R0.16 CCC(CC)CC(=O)O CUR-0002088 [0,2,0,0,0,0|1,0,0]=3 264 B8R0.19 CCC(=O)CC(=O)OC CUR-0009634 [0,2,0,0,0,0|1,0,1]=4 265 B8R0.19 COC(=O)CC(=O)CCl CUR-0006240 [0,2,0,0,0,0|1,0,1]=4 266 B8R0.19 COC(=O)CC(=O)OC CUR-0100775 [0,2,0,0,0,0|1,0,1]=4 267 B8R0.24 CC(C)(C)NC(=O)CCl CUR-0099167 [0,2,0,0,0,0|1,0,0]=3 268 B8R0.24 CC(C)(C)OC(=O)C=C CUR-0101923 [0,2,0,0,0,0|1,0,1]=4 269 B8R0.24 CC(C)(C)OC(=O)C=O CUR-0153394 [0,2,0,0,0,0|1,0,1]=4 270 B8R0.24 CC(C)(C)OC(=O)CCl CUR-0003566 [0,2,0,0,0,0|1,0,0]=3 271 B8R0.24 CC(C)(C)OC(=O)NN CUR-0001236 [0,2,0,0,0,0|2,0,0]=4 272 B8R0.24 CC(C)(C)OC(=O)NO CUR-0012281 [0,2,0,0,0,0|2,0,0]=4 273 B8R0.24 CC(CS(=O)(=O)C)NC CUR-0025379 [0,2,0,0,0,0|1,0,0]=3 274 B8R0.27 CC(C)(C)C(C(=O)O)N CUR-0009030 [0,2,0,0,0,0|1,0,0]=3 275 B8R0.27 CC(C)C(O)S(=O)(=O)[O-] CUR-0155189 [0,2,0,0,0,0|2,0,0]=4 276 B6R1.2 C1CC(=O)C=C1 CUR-0001940 [1,0,0,1,0,0|0,0,2]=4 277 B6R1.2 C1CC(=O)NC1 CUR-0017206 [1,0,0,1,0,0|1,0,0]=3 278 B6R1.2 C1CC(=O)OC1 CUR-0101496 [1,0,0,1,0,0|1,0,0]=3 279 B6R1.2 C1CCC(=O)C1 CUR-0027028 [1,0,0,1,0,0|0,0,0]=2 280 B6R1.2 C1CCC(C1)Br CUR-0025546 [1,0,0,1,0,0|1,0,1]=4 281 B6R1.2 C1CCC(C1)N CUR-0006172 [1,0,0,1,0,0|1,0,1]=4 282 B6R1.2 C1CCC(C1)O CUR-0021370 [1,0,0,1,0,0|0,0,2]=4 283 B6R1.2 C1CNC(=O)N1 CUR-0017995 [1,0,0,1,0,0|2,0,0]=4 284 B6R1.2 C1CNC(=O)N1 CUR-0101499 [1,0,0,1,0,0|2,0,0]=4 285 B6R1.2 C1CNCC1O CUR-0101217 [1,0,0,1,0,0|2,0,0]=4 286 B6R1.2 C1CNC[C@@H]1O CUR-0101508 [1,0,0,1,0,0|2,0,0]=4 287 B6R1.2 C1COC(=O)N1 CUR-0101507 [1,0,0,1,0,0|2,0,0]=4 288 B6R1.2 C1COCC1O CUR-0101518 [1,0,0,1,0,0|2,0,0]=4 289 B6R1.2 C1CSCC1=O CUR-0101623 [1,0,0,1,0,0|1,0,0]=3 290 B6R1.2 CN1CCCC1 CUR-0101495 [1,0,0,1,0,0|1,0,1]=4 291 B6R1.3 C1CC1CNN CUR-0028773 [1,0,0,1,0,0|2,0,0]=4 292 B6R1.3 C1CC1CON CUR-0121722 [1,0,0,1,0,0|2,0,0]=4 293 B6R1.3 C1CC1N=C=O CUR-0027996 [1,0,0,1,0,0|1,0,1]=4 294 B6R1.3 CNCC1CC1 CUR-0090189 [1,0,0,1,0,0|1,0,0]=3 295 B6R1.8 C=C1CC1CO CUR-0163362 [1,0,0,1,0,0|2,0,0]=4 296 B6R1.9 CC1(CC1N)C CUR-0090235 [1,0,0,1,0,0|1,0,1]=4 297 B6R1.11 C1CC1C(=O)Cl CUR-0101645 [1,0,0,1,0,0|1,0,0]=3 298 B6R1.11 C1CC1C(=O)O CUR-0027058 [1,0,0,1,0,0|1,0,0]=3 299 B6R1.11 CC(=O)C1CC1 CUR-0020622 [1,0,0,1,0,0|0,0,0]=2 300 B6R1.4 CC1CCC1N CUR-0163343 [0,0,0,1,1,0|1,0,1]=4 301 B6R1.4 CC1CCC1O CUR-0090358 [0,0,0,1,1,0|0,0,2]=4 302 B8R1.3 C1CC(=O)NCC1N CUR-0023298 [0,0,0,1,0,1|1,0,0]=3 303 B8R1.3 C1CC(=O)NCC1N CUR-0094615 [0,0,0,1,0,1|1,0,0]=3 304 B8R1.3 C=C1CCC(CC1)N CUR-0123168 [0,0,0,1,0,1|2,0,0]=4 305 B8R1.3 CC1CCC(=O)CC1 CUR-0016613 [0,0,0,1,0,1|0,0,0]=2 306 B8R1.3 CC1CCC(CC1)O CUR-0005881 [0,0,0,1,0,1|0,0,2]=4 307 B8R1.3 CN1CCC(=O)CC1 CUR-0101707 [0,0,0,1,0,1|1,0,0]=3 308 B8R1.3 C[C@H]1CC[C@@H](CC1)N CUR-0101712 [0,0,0,1,0,1|1,0,1]=4 309 B8R1.1 C1C(CNC1=O)CBr CUR-0022348 [0,1,0,1,0,0|1,0,0]=3 310 B8R1.1 C1C(CNC1=O)CN CUR-0046714 [0,1,0,1,0,0|1,0,0]=3 311 B8R1.1 C1C(CNC1=O)CO CUR-0098527 [0,1,0,1,0,0|1,0,0]=3 312 B8R1.1 C1CC(=O)NC1CN CUR-0094491 [0,1,0,1,0,0|1,0,0]=3 313 B8R1.1 C1CC(=O)NC1CO CUR-0028114 [0,1,0,1,0,0|1,0,0]=3 314 B8R1.1 CNC1CC(=O)NC1 CUR-0011593 [0,1,0,1,0,0|1,0,0]=3 315 B8R1.4 C1CC(=O)CC(=O)C1 CUR-0019886 [0,1,0,1,0,0|1,0,1]=4 316 B8R1.4 CC1CC(CNC1)C CUR-0101710 [0,1,0,1,0,0|1,0,1]=4 317 B8R1.4 CC1CCCC(=O)C1 CUR-0101702 [0,1,0,1,0,0|0,0,0]=2 318 B8R1.4 CC1CCCC(C1)O CUR-0017679 [0,1,0,1,0,0|0,0,2]=4 319 B8R1.18 CC1CC(C(=O)O1)Br CUR-0020365 [0,1,0,1,0,0|1,0,0]=3 320 B8R1.18 CN1CC(=O)CC1=O CUR-0055835 [0,1,0,1,0,0|1,0,1]=4 321 B8R1.18 CN1CC(CC1=O)N CUR-0086561 [0,1,0,1,0,0|1,0,0]=3 322 B8R1.40 C1CC1NC(=O)CCl CUR-0019155 [0,1,0,1,0,0|1,0,0]=3 323 B8R1.53 CC1(CC(C1)CBr)C CUR-0120041 [0,1,0,1,0,0|1,0,1]=4 324 B8R1.53 CC1(CC(C1)CN)C CUR-0083021 [0,1,0,1,0,0|1,0,1]=4 325 B8R1.53 CC1(CC(C1)CO)C CUR-0098639 [0,1,0,1,0,0|0,0,2]=4 326 B8R1.54 C1CC1C(C(=O)N)N CUR-0101299 [0,1,0,1,0,0|1,0,0]=3 327 B8R0.28 CC(C)CNCC(C)C CUR-0100841 [0,0,0,0,0,2|1,0,1]=4