0 B7R0.6 C(=C/C(=O)O)/C(=O)O CUR-0004106 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 C(=C\C(=O)O)/C(=O)O CUR-0100787 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 CC(=O)CCC(=O)O CUR-0012941 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.6 CC(=O)NCC(=O)O CUR-0024688 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.6 CC(C)COC(=O)Cl CUR-0020162 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.4 C(CC(=O)O)CN CUR-0010241 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.4 CC(C)CN=C=O CUR-0095337 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.4 CC(C)NCCO CUR-0101633 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.4 CCCCC(=O)C CUR-0101595 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.4 CCCCC(=O)Cl CUR-0101805 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.4 CCCCC(=O)O CUR-0101620 [1,0,0,0,0,0|0,0,2]=3 11 B6R0.4 CCOCC(=O)O CUR-0101637 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.4 COCCC(=O)O CUR-0012995 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.23 CC(=O)CC(=O)N(C)C CUR-0006335 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.23 CC(C)CC(C(=O)O)N CUR-0101977 [0,1,0,0,0,0|0,0,2]=3 15 B8R0.23 CC(C)C[C@H](C(=O)O)N CUR-0101976 [0,1,0,0,0,0|0,0,2]=3 16 B8R1.3 CC1CCC(=O)CC1 CUR-0016613 [0,0,0,1,0,0|1,0,2]=4 17 B8R1.3 Cc1ccc(=O)[nH]n1 CUR-0021706 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.3 Cc1ccc(cc1)O CUR-0101071 [0,0,0,1,0,0|1,0,2]=4 19 B8R1.3 Cc1ccc(cn1)O CUR-0101672 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.51 C1C(C=CS1(=O)=O)Br CUR-0096007 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.51 C1C(C=CS1(=O)=O)N CUR-0100647 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.51 C1C(C=CS1(=O)=O)O CUR-0096161 [0,0,0,1,0,0|2,0,1]=4 23 B6R0.2 CC(=CC(=O)O)C CUR-0101587 [0,0,0,0,1,0|0,0,1]=2 24 B6R0.2 CC(C)CC(=O)C CUR-0017562 [0,0,0,0,1,0|1,0,1]=3 25 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [0,0,0,0,1,0|1,0,1]=3 26 B6R0.2 CC(C)CC(=O)O CUR-0017645 [0,0,0,0,1,0|0,0,1]=2 27 B6R0.2 CC(C)OC(=O)Cl CUR-0100902 [0,0,0,0,1,0|2,0,0]=3 28 B6R0.2 CC(OC(=O)Cl)Cl CUR-0007306 [0,0,0,0,1,0|3,0,0]=4 29 B5R0.1 C(CBr)C(=O)O CUR-0102453 [2,0,0,0,0,0|1,0,1]=4 30 B5R0.1 C(CCl)C(=O)O CUR-0008480 [2,0,0,0,0,0|1,0,1]=4 31 B5R0.1 C(CN)C(=O)O CUR-0006907 [2,0,0,0,0,0|1,0,1]=4 32 B5R0.1 C(CS)C(=O)O CUR-0101651 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.1 CC(C)CC=O CUR-0101502 [2,0,0,0,0,0|0,0,1]=3 34 B5R0.1 CC(C)CCO CUR-0003416 [2,0,0,0,0,0|0,0,2]=4 35 B5R0.1 CC(C)N=C=O CUR-0101492 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.1 CCCC(=O)C CUR-0026599 [2,0,0,0,0,0|1,0,1]=4 37 B5R0.1 CCCC(=O)Cl CUR-0020308 [2,0,0,0,0,0|1,0,1]=4 38 B5R0.1 CCCC(=O)O CUR-0020198 [2,0,0,0,0,0|0,0,1]=3 39 B5R0.1 CCOC(=O)C CUR-0101519 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.1 CCOC(=O)Cl CUR-0026181 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 CCOC(=O)N CUR-0100824 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.1 CNCC(=O)O CUR-0018005 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.1 COCC(=O)O CUR-0014449 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.1 CSCC(=O)O CUR-0025987 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.1 C\C=C\C(=O)O CUR-0100765 [2,0,0,0,0,0|0,0,0]=2 46 B5R0.2 C(C=CCO)O CUR-0100969 [2,0,0,0,0,0|1,0,1]=4 47 B5R0.2 C(\C=C/CO)O CUR-0101515 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.2 CCCCC=O CUR-0020580 [2,0,0,0,0,0|0,0,2]=4 49 B5R0.2 CCO\C=C\C CUR-0101289 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.2 CC\C=C/C#N CUR-0101476 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.2 CC\C=C/CO CUR-0101504 [2,0,0,0,0,0|0,0,1]=3 52 B7R0.2 CC(C)CC(=O)C=C CUR-0050915 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.2 CCC(C)CC(=O)O CUR-0101758 [1,1,0,0,0,0|0,0,2]=4 54 B7R0.3 CNC(=O)\C=C\CN CUR-0155233 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.3 COC(=O)\C=C\CBr CUR-0103039 [1,1,0,0,0,0|1,0,0]=3 56 B7R0.3 CO\C=C\C(=O)OC CUR-0101064 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.4 C(CCBr)CC(=O)O CUR-0103088 [1,1,0,0,0,0|0,0,2]=4 58 B7R0.4 C(CCN)CC(=O)O CUR-0018281 [1,1,0,0,0,0|0,0,2]=4 59 B7R0.4 C\C=C\C=C/C(=O)O CUR-0101700 [1,1,0,0,0,0|0,0,1]=3 60 B7R0.4 C\C=C\C=C\C(=O)O CUR-0100842 [1,1,0,0,0,0|0,0,1]=3 61 B7R0.5 CCCC(C(=O)O)Br CUR-0020650 [1,1,0,0,0,0|0,0,2]=4 62 B7R0.5 CCOC(=O)C(=O)C CUR-0021376 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.5 CCOC(=O)C(=O)Cl CUR-0102081 [1,1,0,0,0,0|2,0,0]=4 64 B7R0.5 CCOC(=O)C(=O)N CUR-0013418 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.9 CC(=O)CC(C)(C)O CUR-0020852 [0,1,0,0,1,0|1,0,1]=4 66 B7R0.9 CC(=O)OC(C)(C)C CUR-0001433 [0,1,0,0,1,0|2,0,0]=4 67 B7R0.9 CC(C)(C)CC(=O)Cl CUR-0102044 [0,1,0,0,1,0|1,0,1]=4 68 B7R0.9 CC(C)(C)CC(=O)O CUR-0101757 [0,1,0,0,1,0|0,0,1]=3 69 B7R0.9 CC(C)(C)OC(=O)N CUR-0100962 [0,1,0,0,1,0|2,0,0]=4 70 B7R0.16 CC(C(C(=O)O)N)O CUR-0101788 [0,1,0,0,1,0|1,0,1]=4 71 B7R0.16 CC(C)[C@@H](C(=O)O)N CUR-0016393 [0,1,0,0,1,0|0,0,1]=3 72 B7R0.16 CC(C)[C@H](C(=O)O)N CUR-0101079 [0,1,0,0,1,0|0,0,1]=3 73 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CUR-0023309 [0,1,0,0,1,0|1,0,1]=4 74 B9R0.7 CN(C)C(=O)\C=C\C(=O)O CUR-0029649 [0,1,0,0,0,1|1,0,0]=3 75 B9R0.23 CC(=O)C=C(C(=O)OC)[O-] CUR-0010092 [0,2,0,0,0,0|1,0,1]=4 76 B9R0.23 C[C@H](CC(C)C)C(=O)OC CUR-0101362 [0,2,0,0,0,0|0,0,2]=4 77 B9R0.24 COC(=O)\C=C/C(=O)OC CUR-0026038 [0,2,0,0,0,0|1,0,1]=4 78 B9R0.24 COC(=O)\C=C\C(=O)OC CUR-0101215 [0,2,0,0,0,0|1,0,1]=4 79 B9R0.42 CC(C)C(=O)CC(=O)OC CUR-0101060 [0,2,0,0,0,0|0,0,1]=3 80 B9R0.57 CC(C(=O)O)NC(C)(C)C CUR-0101259 [0,2,0,0,0,0|1,0,1]=4 81 B7R1.2 C1=CC(=O)OC1=O CUR-0023802 [1,0,0,1,0,0|1,0,1]=4 82 B7R1.2 CC1CCC(=O)O1 CUR-0101591 [1,0,0,1,0,0|0,0,2]=4 83 B7R1.2 CC1COC(=O)O1 CUR-0101613 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.2 Cc1ccc(o1)C CUR-0101561 [1,0,0,1,0,0|1,0,1]=4 85 B7R1.3 C1CC=CC(=O)C1 CUR-0002304 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.12 CC1CC1C(=O)O CUR-0100917 [1,0,0,1,0,0|0,0,2]=4 87 B7R1.18 C1CC(C1)C(=O)O CUR-0009068 [1,0,0,1,0,0|0,0,2]=4 88 B7R1.18 C1CNC1C(=O)O CUR-0081896 [1,0,0,1,0,0|1,0,1]=4 89 B7R1.20 C1CC1CC(=O)O CUR-0101588 [1,0,0,1,0,0|0,0,2]=4 90 B9R1.35 Cc1[nH]cc(n1)C(=O)O CUR-0024930 [0,0,0,1,0,1|1,0,1]=4 91 B9R1.35 Cc1cc(sc1)C(=O)O CUR-0102193 [0,0,0,1,0,1|0,0,2]=4 92 B9R1.35 Cc1ccc(s1)C(=O)O CUR-0102192 [0,0,0,1,0,1|1,0,1]=4 93 B9R1.35 Cc1nc(cs1)C(=O)O CUR-0001372 [0,0,0,1,0,1|1,0,1]=4 94 B9R1.35 Cc1ncc(s1)C(=O)O CUR-0015967 [0,0,0,1,0,1|1,0,1]=4 95 B9R1.69 Cc1ccc(cc1C)O CUR-0101826 [0,1,0,1,0,0|1,0,1]=4 96 B9R1.80 COC(=O)CNC1CC1 CUR-0093886 [0,1,0,1,0,0|1,0,1]=4 97 B9R1.38 CC1(C(=O)NC(=O)N1)C CUR-0101920 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.38 CC1(CC(=O)OC1=O)C CUR-0101919 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.137 C1CC1\C(=C/C(=O)O)\Cl CUR-0060747 [0,1,0,1,0,0|0,0,0]=2 100 B9R1.164 CC1(CC(C1)C(=O)O)C CUR-0098627 [0,1,0,1,0,0|0,0,2]=4 101 B5R0.5 C(C(=O)O)(Cl)Cl CUR-0017246 [0,0,0,0,2,0|2,0,0]=4 102 B5R0.5 CC(=O)C(=O)O CUR-0101513 [0,0,0,0,2,0|1,0,1]=4 103 B5R0.5 CC(=O)N(C)C CUR-0015735 [0,0,0,0,2,0|2,0,0]=4 104 B5R0.5 CC(C(=O)Br)Br CUR-0103656 [0,0,0,0,2,0|2,0,0]=4 105 B5R0.5 CC(C(=O)C)Cl CUR-0002968 [0,0,0,0,2,0|2,0,0]=4 106 B5R0.5 CC(C(=O)C)O CUR-0101517 [0,0,0,0,2,0|2,0,0]=4 107 B5R0.5 CC(C(=O)Cl)Cl CUR-0025103 [0,0,0,0,2,0|2,0,0]=4 108 B5R0.5 CC(C(=O)O)Cl CUR-0027467 [0,0,0,0,2,0|1,0,0]=3 109 B5R0.5 CC(C(=O)O)N CUR-0005753 [0,0,0,0,2,0|1,0,0]=3 110 B5R0.5 CC(C(=O)O)O CUR-0100772 [0,0,0,0,2,0|1,0,0]=3 111 B5R0.5 CC(C(=O)O)S CUR-0001712 [0,0,0,0,2,0|1,0,0]=3 112 B5R0.5 CC(C)C(=N)N CUR-0101000 [0,0,0,0,2,0|2,0,0]=4 113 B5R0.5 CC(C)C(=O)C CUR-0101503 [0,0,0,0,2,0|1,0,0]=3 114 B5R0.5 CC(C)C(=O)Cl CUR-0101654 [0,0,0,0,2,0|1,0,0]=3 115 B5R0.5 CC(C)C(=O)O CUR-0023620 [0,0,0,0,2,0|0,0,0]=2 116 B5R0.5 CC(C)[N+](=O)[O-] CUR-0001597 [0,0,0,0,2,0|1,0,1]=4 117 B5R0.5 CN(C)C(=O)Cl CUR-0021018 [0,0,0,0,2,0|2,0,0]=4 118 B5R0.5 C[C@@H](C(=O)N)N CUR-0101872 [0,0,0,0,2,0|2,0,0]=4 119 B5R0.5 C[C@@H](C(=O)O)N CUR-0101526 [0,0,0,0,2,0|1,0,0]=3