0 B7R0.16 C(=O)(C(=O)O)C(=O)O CUR-0028231 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.16 CC(C(C(=O)O)N)O CUR-0101788 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.16 CC(C)[C@@H](C(=O)O)N CUR-0016393 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.16 CC(C)[C@H](C(=O)O)N CUR-0101079 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.16 CN(C)C(=O)N(C)C CUR-0101761 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CUR-0023309 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CC(=CC(=O)O)C CUR-0101587 [1,0,0,0,0,0|0,0,1]=2 7 B6R0.2 CC(C)CC(=O)C CUR-0017562 [1,0,0,0,0,0|1,0,1]=3 8 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [1,0,0,0,0,0|1,0,1]=3 9 B6R0.2 CC(C)CC(=O)O CUR-0017645 [1,0,0,0,0,0|0,0,1]=2 10 B6R0.2 CC(C)OC(=O)Cl CUR-0100902 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.2 CC(OC(=O)Cl)Cl CUR-0007306 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.3 C(C(C(=O)O)Br)Br CUR-0100855 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.3 C(C(C(=O)O)N)O CUR-0101646 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.3 C(C(C(=O)O)N)S CUR-0101261 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.3 C([C@@H](C(=O)O)N)O CUR-0101109 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0004971 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0101810 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.3 CC(=C)C(=O)OC CUR-0012718 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.3 CC(=O)C(=O)OC CUR-0100866 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.3 CC(C(=O)OC)Br CUR-0102802 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.3 CC(C)C(=N)OC CUR-0101310 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.3 CC(C)C(=NO)N CUR-0027209 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.3 CCC(C(=O)N)Br CUR-0027495 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.3 CCC(C(=O)O)Br CUR-0102801 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.3 CCC(C(=O)O)N CUR-0010659 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.3 CCC(C)C(=O)O CUR-0101619 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.3 CN(C)C(=O)C#C CUR-0066918 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.3 CN(C)C(=O)NN CUR-0100988 [1,0,0,0,0,0|3,0,0]=4 29 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N CUR-0122501 [0,1,0,0,0,0|1,0,1]=3 30 B8R0.27 C=C(C(=O)O)C(F)(F)F CUR-0000077 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.27 CC(C)(C)C(C(=O)O)N CUR-0009030 [0,1,0,0,0,0|1,0,1]=3 32 B8R1.50 CN1CCC(C1=O)O CUR-0013744 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.54 C1CC1C(C(=O)N)N CUR-0101299 [0,0,0,1,0,0|2,0,1]=4 34 B8R0.23 CC(=O)CC(=O)N(C)C CUR-0006335 [0,0,0,0,0,1|2,0,0]=3 35 B8R0.23 CC(C)CC(C(=O)O)N CUR-0101977 [0,0,0,0,0,1|1,0,1]=3 36 B8R0.23 CC(C)C[C@H](C(=O)O)N CUR-0101976 [0,0,0,0,0,1|1,0,1]=3 37 B5R0.1 C(CBr)C(=O)O CUR-0102453 [2,0,0,0,0,0|1,0,1]=4 38 B5R0.1 C(CCl)C(=O)O CUR-0008480 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.1 C(CN)C(=O)O CUR-0006907 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.1 C(CS)C(=O)O CUR-0101651 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.1 CC(C)CC=O CUR-0101502 [2,0,0,0,0,0|0,0,1]=3 42 B5R0.1 CC(C)CCO CUR-0003416 [2,0,0,0,0,0|0,0,2]=4 43 B5R0.1 CC(C)N=C=O CUR-0101492 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.1 CCCC(=O)C CUR-0026599 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.1 CCCC(=O)Cl CUR-0020308 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.1 CCCC(=O)O CUR-0020198 [2,0,0,0,0,0|0,0,1]=3 47 B5R0.1 CCOC(=O)C CUR-0101519 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.1 CCOC(=O)Cl CUR-0026181 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 CCOC(=O)N CUR-0100824 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 CNCC(=O)O CUR-0018005 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.1 COCC(=O)O CUR-0014449 [2,0,0,0,0,0|1,0,1]=4 52 B5R0.1 CSCC(=O)O CUR-0025987 [2,0,0,0,0,0|1,0,1]=4 53 B5R0.1 C\C=C\C(=O)O CUR-0100765 [2,0,0,0,0,0|0,0,1]=3 54 B5R0.3 CCC(=O)CC CUR-0101500 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.3 CC\C(=N/O)\N CUR-0010533 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.3 COC(=O)C=C CUR-0018588 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.3 COC(=O)CO CUR-0101535 [2,0,0,0,0,0|1,0,1]=4 58 B5R0.5 C(=O)(C(=O)Cl)Cl CUR-0022479 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.5 C(=O)(C(=O)N)N CUR-0013129 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.5 C(=O)(C(=O)O)O CUR-0022161 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.5 C(=O)(C(=O)O)O CUR-0100644 [2,0,0,0,0,0|1,0,0]=3 62 B5R0.5 C(C(=O)O)(Cl)Cl CUR-0017246 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.5 CC(=O)C(=O)C CUR-0014415 [2,0,0,0,0,0|1,0,0]=3 64 B5R0.5 CC(=O)C(=O)O CUR-0101513 [2,0,0,0,0,0|0,0,0]=2 65 B5R0.5 CC(=O)N(C)C CUR-0015735 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.5 CC(C(=O)Br)Br CUR-0103656 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.5 CC(C(=O)C)Cl CUR-0002968 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.5 CC(C(=O)C)O CUR-0101517 [2,0,0,0,0,0|1,0,1]=4 69 B5R0.5 CC(C(=O)Cl)Cl CUR-0025103 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.5 CC(C(=O)O)Cl CUR-0027467 [2,0,0,0,0,0|1,0,0]=3 71 B5R0.5 CC(C(=O)O)N CUR-0005753 [2,0,0,0,0,0|1,0,0]=3 72 B5R0.5 CC(C(=O)O)O CUR-0100772 [2,0,0,0,0,0|1,0,0]=3 73 B5R0.5 CC(C(=O)O)S CUR-0001712 [2,0,0,0,0,0|1,0,0]=3 74 B5R0.5 CC(C)C(=N)N CUR-0101000 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.5 CC(C)C(=O)C CUR-0101503 [2,0,0,0,0,0|0,0,1]=3 76 B5R0.5 CC(C)C(=O)Cl CUR-0101654 [2,0,0,0,0,0|1,0,0]=3 77 B5R0.5 CC(C)C(=O)O CUR-0023620 [2,0,0,0,0,0|0,0,0]=2 78 B5R0.5 CC(C)[N+](=O)[O-] CUR-0001597 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.5 CN(C)C(=O)Cl CUR-0021018 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.5 C[C@@H](C(=O)N)N CUR-0101872 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.5 C[C@@H](C(=O)O)N CUR-0101526 [2,0,0,0,0,0|1,0,0]=3 82 B7R0.2 CC(C)CC(=O)C=C CUR-0050915 [1,1,0,0,0,0|1,0,1]=4 83 B7R0.2 CC(C)OC(=O)CCl CUR-0013704 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.2 CCC(C)CC(=O)O CUR-0101758 [1,1,0,0,0,0|0,0,1]=3 85 B7R0.9 CC(=O)CC(C)(C)O CUR-0020852 [1,1,0,0,0,0|1,0,1]=4 86 B7R0.9 CC(=O)OC(C)(C)C CUR-0001433 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.9 CC(C)(C)CC(=O)Cl CUR-0102044 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.9 CC(C)(C)CC(=O)O CUR-0101757 [1,1,0,0,0,0|0,0,1]=3 89 B7R0.9 CC(C)(C)OC(=O)N CUR-0100962 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.5 C(CO)C(C(=O)O)N CUR-0009208 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.5 CCCC(C(=O)O)Br CUR-0020650 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.5 CCOC(=O)C(=O)C CUR-0021376 [1,1,0,0,0,0|1,0,0]=3 93 B7R0.5 CCOC(=O)C(=O)Cl CUR-0102081 [1,1,0,0,0,0|1,0,0]=3 94 B7R0.5 CCOC(=O)C(=O)N CUR-0013418 [1,1,0,0,0,0|1,0,0]=3 95 B7R0.5 CCOC(=O)C(=S)N CUR-0029192 [1,1,0,0,0,0|1,1,0]=4 96 B7R0.10 COC(=O)C(=O)OC CUR-0027911 [1,1,0,0,0,0|1,0,0]=3 97 B7R0.14 CC(C)(C)C(=O)CCl CUR-0102046 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.15 CCC(CC)C(=O)O CUR-0101754 [1,1,0,0,0,0|1,0,1]=4 99 B9R0.23 C[C@H](CC(C)C)C(=O)OC CUR-0101362 [0,1,0,0,0,1|1,0,1]=4 100 B9R0.42 CC(C)C(=O)CC(=O)OC CUR-0101060 [0,1,0,0,0,1|0,0,0]=2 101 B9R0.57 CC(C(=O)O)NC(C)(C)C CUR-0101259 [0,1,0,0,0,1|1,0,1]=4 102 B9R0.79 CC(=O)C(C(=O)N(C)C)Cl CUR-0022492 [0,1,0,0,0,1|2,0,0]=4 103 B9R0.32 CC(C)(C=C)[C@@H](C(=O)O)N CUR-0122776 [0,2,0,0,0,0|1,0,1]=4 104 B7R1.2 CC1CCC(=O)N1 CUR-0016557 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.2 CC1CCC(=O)O1 CUR-0101591 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.2 CC1COC(=O)O1 CUR-0101613 [1,0,0,1,0,0|1,0,0]=3 107 B7R1.12 CC1CC1C(=O)O CUR-0100917 [1,0,0,1,0,0|0,0,1]=3 108 B7R1.20 C1CC1CC(=O)O CUR-0101588 [1,0,0,1,0,0|0,0,1]=3 109 B7R1.4 C1CC(=O)C(=O)C1 CUR-0061064 [1,0,0,1,0,0|1,0,0]=3 110 B7R1.4 C1COC(=O)C1Br CUR-0012154 [1,0,0,1,0,0|1,0,1]=4 111 B7R1.4 C1[C@H](C(=O)NO1)N CUR-0101615 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.18 C1CC(C1)C(=O)O CUR-0009068 [1,0,0,1,0,0|1,0,1]=4 113 B7R1.18 C1CNC1C(=O)O CUR-0081896 [1,0,0,1,0,0|1,0,1]=4 114 B7R1.19 C1CC1(C(=O)O)N CUR-0010902 [1,0,0,1,0,0|1,0,1]=4 115 B7R1.22 C1CC1C(=O)CBr CUR-0027626 [1,0,0,1,0,0|1,0,1]=4 116 B7R1.22 C1CC1\C(=N\O)\N CUR-0100689 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.22 COC(=O)C1CC1 CUR-0101589 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.35 CC(C)C1COC(=O)N1 CUR-0050365 [0,0,0,1,0,1|1,0,1]=4 119 B9R1.38 CC1(C(=O)NC(=O)N1)C CUR-0101920 [0,0,0,1,0,1|1,0,0]=3 120 B9R1.38 CC1(CC(=O)OC1=O)C CUR-0101919 [0,0,0,1,0,1|1,0,0]=3 121 B9R1.137 C1CC1\C(=C/C(=O)O)\Cl CUR-0060747 [0,0,0,1,0,1|1,0,0]=3 122 B9R1.164 CC1(CC(C1)C(=O)O)C CUR-0098627 [0,0,0,1,0,1|1,0,1]=4 123 B9R1.41 CC1CCCC1C(=O)O CUR-0018388 [0,1,0,1,0,0|1,0,1]=4 124 B9R1.165 CC(C)(C1CC1)C(=O)O CUR-0074704 [0,1,0,1,0,0|1,0,1]=4 125 B7R0.6 CC(C)COC(=O)Cl CUR-0020162 [1,0,0,0,0,1|1,0,1]=4 126 B9R0.7 CN(C)C(=O)\C=C\C(=O)O CUR-0029649 [0,0,0,0,0,2|1,0,0]=3