0 B7R0.16 C(=O)(C(=O)O)C(=O)O CUR-0028231 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.16 CC(=O)C(C(=O)C)Cl CUR-0004455 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.16 CC(C(=O)C)C(=O)C CUR-0101719 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.16 CC(C(C(=O)O)N)O CUR-0101788 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.16 CC(C)[C@@H](C(=O)O)N CUR-0016393 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.16 CC(C)[C@H](C(=O)O)N CUR-0101079 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CUR-0023309 [0,0,0,0,0,0|0,0,0]=0 7 B6R0.2 C(C(=O)O)C(=O)O CUR-0011839 [1,0,0,0,0,0|1,0,1]=3 8 B6R0.2 CC(=CC(=O)O)C CUR-0101587 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.2 CC(=O)CC(=O)C CUR-0004776 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.2 CC(=O)CC(=O)N CUR-0101600 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.2 CC(C)CC(=O)C CUR-0017562 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.2 CC(C)CC(=O)O CUR-0017645 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.2 CC(C)OC(=O)Cl CUR-0100902 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.2 CC(OC(=O)Cl)Cl CUR-0007306 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.3 C(C(C(=O)O)Br)Br CUR-0100855 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.3 C(C(C(=O)O)N)O CUR-0101646 [1,0,0,0,0,0|0,0,0]=1 18 B6R0.3 C(C(C(=O)O)N)S CUR-0101261 [1,0,0,0,0,0|0,1,0]=2 19 B6R0.3 C([C@@H](C(=O)O)N)O CUR-0101109 [1,0,0,0,0,0|0,0,0]=1 20 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0004971 [1,0,0,0,0,0|0,1,0]=2 21 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0101810 [1,0,0,0,0,0|0,1,0]=2 22 B6R0.3 CC(C)C(=NO)N CUR-0027209 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.3 CCC(C(=O)N)Br CUR-0027495 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.3 CCC(C(=O)O)Br CUR-0102801 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.3 CCC(C(=O)O)N CUR-0010659 [1,0,0,0,0,0|0,0,0]=1 26 B6R0.3 CCC(C(C)O)N CUR-0067426 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.3 CCC(C)C(=O)O CUR-0101619 [1,0,0,0,0,0|1,0,0]=2 28 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N CUR-0122501 [0,1,0,0,0,0|1,0,0]=2 29 B8R0.27 CC(C)(C)C(C(=O)O)N CUR-0009030 [0,1,0,0,0,0|1,0,0]=2 30 B8R0.37 CC(C)(C(=O)O)C(=O)O CUR-0023735 [0,1,0,0,0,0|2,0,1]=4 31 B8R1.54 C1CC1C(C(=O)N)N CUR-0101299 [0,0,0,1,0,0|2,0,0]=3 32 B8R0.23 C(C(C(=O)O)N)C(=O)O CUR-0025971 [0,0,0,0,0,1|1,0,1]=3 33 B8R0.23 C(C(C(=O)O)O)C(=O)O CUR-0102024 [0,0,0,0,0,1|2,0,1]=4 34 B8R0.23 C(C(C(=O)O)S)C(=O)O CUR-0102354 [0,0,0,0,0,1|2,0,1]=4 35 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N CUR-0101987 [0,0,0,0,0,1|1,0,2]=4 36 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O CUR-0015472 [0,0,0,0,0,1|1,0,1]=3 37 B8R0.23 C([C@H](C(=O)O)N)C(=O)O CUR-0102002 [0,0,0,0,0,1|1,0,1]=3 38 B8R0.23 CC(C)CC(C(=O)O)N CUR-0101977 [0,0,0,0,0,1|1,0,0]=2 39 B8R0.23 CC(C)C[C@H](C(=O)O)N CUR-0101976 [0,0,0,0,0,1|1,0,0]=2 40 B5R0.1 C(C#N)C(=O)O CUR-0011506 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.1 C(CBr)C(=O)O CUR-0102453 [2,0,0,0,0,0|1,0,0]=3 42 B5R0.1 C(CCl)C(=O)Cl CUR-0009101 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 C(CCl)C(=O)O CUR-0008480 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.1 C(CN)C(=O)O CUR-0006907 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.1 C(CN)C(=O)[O-] CUR-0101293 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.1 C(CS)C(=O)O CUR-0101651 [2,0,0,0,0,0|0,1,0]=3 47 B5R0.1 CC(=O)COC CUR-0101516 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.1 CC(C)CC=O CUR-0101502 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.1 CC(C)CCO CUR-0003416 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.1 CC(CCO)O CUR-0003759 [2,0,0,0,0,0|0,0,1]=3 51 B5R0.1 CCCC(=O)C CUR-0026599 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.1 CCCC(=O)Cl CUR-0020308 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.1 CCCC(=O)O CUR-0020198 [2,0,0,0,0,0|0,0,0]=2 54 B5R0.1 CCCC(C)O CUR-0023615 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.1 CCC[N+](=O)[O-] CUR-0101527 [2,0,0,0,0,0|1,0,1]=4 56 B5R0.1 CCOC(=O)C CUR-0101519 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 CCOC(=O)Cl CUR-0026181 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.1 CCOC(=O)N CUR-0100824 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.1 CNCC(=O)O CUR-0018005 [2,0,0,0,0,0|1,0,0]=3 60 B5R0.1 COCC(=O)Cl CUR-0101665 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.1 COCC(=O)O CUR-0014449 [2,0,0,0,0,0|1,0,0]=3 62 B5R0.1 CSCC(=O)O CUR-0025987 [2,0,0,0,0,0|1,0,0]=3 63 B5R0.1 C\C=C\C(=O)O CUR-0100765 [2,0,0,0,0,0|0,0,2]=4 64 B5R0.3 C(C(CO)O)O CUR-0012902 [2,0,0,0,0,0|1,0,1]=4 65 B5R0.3 CC(CO)CO CUR-0101538 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.3 CCC(C)CO CUR-0101523 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.3 CCC(CO)N CUR-0101528 [2,0,0,0,0,0|0,0,1]=3 68 B5R0.3 CC\C(=N/O)\N CUR-0010533 [2,0,0,0,0,0|1,0,1]=4 69 B5R0.5 C(=O)(C(=O)O)O CUR-0022161 [2,0,0,0,0,0|1,0,1]=4 70 B5R0.5 C(=O)(C(=O)O)O CUR-0100644 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.5 C(C(=O)O)(Cl)Cl CUR-0017246 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.5 CC(=O)C(=O)O CUR-0101513 [2,0,0,0,0,0|1,0,1]=4 73 B5R0.5 CC(C(=O)Br)Br CUR-0103656 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.5 CC(C(=O)C)Cl CUR-0002968 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.5 CC(C(=O)C)O CUR-0101517 [2,0,0,0,0,0|1,0,1]=4 76 B5R0.5 CC(C(=O)Cl)Cl CUR-0025103 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.5 CC(C(=O)O)Cl CUR-0027467 [2,0,0,0,0,0|1,0,0]=3 78 B5R0.5 CC(C(=O)O)N CUR-0005753 [2,0,0,0,0,0|0,0,0]=2 79 B5R0.5 CC(C(=O)O)O CUR-0100772 [2,0,0,0,0,0|1,0,0]=3 80 B5R0.5 CC(C(=O)O)S CUR-0001712 [2,0,0,0,0,0|1,0,0]=3 81 B5R0.5 CC(C)C(=O)C CUR-0101503 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.5 CC(C)C(=O)Cl CUR-0101654 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.5 CC(C)C(=O)O CUR-0023620 [2,0,0,0,0,0|1,0,0]=3 84 B5R0.5 C[C@@H](C(=O)N)N CUR-0101872 [2,0,0,0,0,0|1,0,0]=3 85 B5R0.5 C[C@@H](C(=O)O)N CUR-0101526 [2,0,0,0,0,0|0,0,0]=2 86 B7R0.2 CC(=O)CC(=O)OC CUR-0018522 [1,1,0,0,0,0|0,0,2]=4 87 B7R0.2 CC(C)CC(=O)C=C CUR-0050915 [1,1,0,0,0,0|2,0,0]=4 88 B7R0.2 CCC(C)CC(=O)O CUR-0101758 [1,1,0,0,0,0|1,0,0]=3 89 B7R0.9 C(C(=O)O)C(F)(F)F CUR-0101914 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.9 CC(=O)CC(C)(C)O CUR-0020852 [1,1,0,0,0,0|1,0,0]=3 91 B7R0.9 CC(C)(C)CC(=O)Cl CUR-0102044 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.9 CC(C)(C)CC(=O)O CUR-0101757 [1,1,0,0,0,0|1,0,0]=3 93 B7R0.5 C(CO)C(C(=O)O)N CUR-0009208 [1,1,0,0,0,0|0,0,0]=2 94 B7R0.5 CCCC(C(=O)O)Br CUR-0020650 [1,1,0,0,0,0|1,0,0]=3 95 B7R0.10 C([C@H]([C@H](CO)O)O)O CUR-0163306 [1,1,0,0,0,0|1,0,1]=4 96 B7R0.10 COC(=O)C(CO)N CUR-0010591 [1,1,0,0,0,0|0,0,0]=2 97 B7R0.15 CCC(CC)C(=O)O CUR-0101754 [1,1,0,0,0,0|1,0,0]=3 98 B9R0.23 C[C@H](CC(C)C)C(=O)OC CUR-0101362 [0,1,0,0,0,1|2,0,0]=4 99 B9R0.57 CC(C(=O)O)NC(C)(C)C CUR-0101259 [0,1,0,0,0,1|2,0,0]=4 100 B9R0.32 CC(C)(C=C)[C@@H](C(=O)O)N CUR-0122776 [0,2,0,0,0,0|1,0,0]=3 101 B7R1.2 C1C(=O)COC1=O CUR-0100913 [1,0,0,1,0,0|0,0,2]=4 102 B7R1.2 C1C(CNC1=O)N CUR-0087034 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.2 CC1COC(=O)O1 CUR-0101613 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.12 CC1CC1C(=O)O CUR-0100917 [1,0,0,1,0,0|1,0,0]=3 105 B7R1.20 C1CC1CC(=O)O CUR-0101588 [1,0,0,1,0,0|1,0,0]=3 106 B7R1.4 C1CC(=O)N(C1)N CUR-0099031 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.4 C1CNC(=O)C1Br CUR-0004832 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.4 C1COC(=O)C1Br CUR-0012154 [1,0,0,1,0,0|1,0,0]=3 109 B7R1.4 C1CSC(=O)C1N CUR-0025625 [1,0,0,1,0,0|0,1,0]=3 110 B7R1.4 C1[C@H](C(=O)NO1)N CUR-0101615 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.18 C1C(CN1)C(=O)O CUR-0009104 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.18 C1CC(C1)C(=O)Cl CUR-0016394 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.18 C1CC(C1)C(=O)O CUR-0009068 [1,0,0,1,0,0|1,0,0]=3 114 B7R1.18 C1CNC1C(=O)O CUR-0081896 [1,0,0,1,0,0|0,0,0]=2 115 B7R1.19 C1CC1(C(=O)O)N CUR-0010902 [1,0,0,1,0,0|0,0,0]=2 116 B9R1.35 C1C(CNC1C(=O)O)O CUR-0100797 [0,0,0,1,0,1|0,0,0]=2 117 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O CUR-0003674 [0,0,0,1,0,1|0,0,0]=2 118 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O CUR-0013245 [0,0,0,1,0,1|0,0,0]=2 119 B9R1.35 CC(C)C1COC(=O)N1 CUR-0050365 [0,0,0,1,0,1|2,0,0]=4 120 B9R1.164 CC1(CC(C1)C(=O)O)C CUR-0098627 [0,0,0,1,0,1|2,0,0]=4 121 B9R1.41 CC1CCCC1C(=O)O CUR-0018388 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.165 CC(C)(C1CC1)C(=O)O CUR-0074704 [0,1,0,1,0,0|2,0,0]=4 123 B7R0.6 C(CC(=O)O)C(=O)O CUR-0014664 [1,0,0,0,0,1|1,0,1]=4 124 B7R0.6 CC(=O)CCC(=O)O CUR-0012941 [1,0,0,0,0,1|0,0,2]=4 125 B7R0.6 CC(=O)NCC(=O)O CUR-0024688 [1,0,0,0,0,1|0,0,2]=4 126 B7R0.6 CC(C)COC(=O)Cl CUR-0020162 [1,0,0,0,0,1|2,0,0]=4 127 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N CUR-0013957 [0,0,0,0,0,2|1,0,1]=4