0 B8R0.23 C(C(C(=O)O)N)C(=O)O CUR-0025971 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.23 C(C(C(=O)O)O)C(=O)O CUR-0102024 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.23 C(C(C(=O)O)S)C(=O)O CUR-0102354 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N CUR-0101987 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O CUR-0015472 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.23 C([C@H](C(=O)O)N)C(=O)O CUR-0102002 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.23 C=C(CC(=O)O)C(=O)O CUR-0014634 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.23 CC(C(=O)C)NC(=O)C CUR-0101122 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.23 CC(C)CC(C(=O)O)N CUR-0101977 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.23 CC(C)C[C@H](C(=O)O)N CUR-0101976 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.5 C(CO)C(C(=O)O)N CUR-0009208 [1,0,0,0,0,0|0,0,2]=3 11 B7R0.5 CCCC(C(=O)O)Br CUR-0020650 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.6 C(=C/C(=O)O)/C(=O)O CUR-0004106 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.6 C(=C\C(=O)O)/C(=O)O CUR-0100787 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.6 C(CC(=O)O)C(=O)O CUR-0014664 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.6 CC(=O)CCC(=O)C CUR-0022649 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.6 CC(=O)CCC(=O)O CUR-0012941 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.6 CC(=O)NCC(=O)O CUR-0024688 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.6 CC(=O)OCC(=O)Cl CUR-0102082 [1,0,0,0,0,0|3,0,0]=4 19 B9R0.39 CC(=O)NC(CS)C(=O)O CUR-0007808 [0,1,0,0,0,0|3,0,0]=4 20 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O CUR-0102348 [0,1,0,0,0,0|2,0,0]=3 21 B9R0.79 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O CUR-0007272 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.35 C1C(CNC1=O)C(=O)N CUR-0096360 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.35 C1C(CNC1=O)C(=O)O CUR-0006587 [0,0,0,1,0,0|1,0,0]=2 24 B9R1.35 C1C(CNC1C(=O)O)O CUR-0100797 [0,0,0,1,0,0|1,0,2]=4 25 B9R1.35 C1C(OC(=O)N1)C(=O)O CUR-0022760 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.35 C1CC(=O)NC1C(=O)O CUR-0013033 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.35 C1CC(=O)N[C@H]1C(=O)O CUR-0014319 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O CUR-0003674 [0,0,0,1,0,0|1,0,2]=4 29 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O CUR-0013245 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.35 C1[C@H](NC(=O)N1)C(=O)O CUR-0122529 [0,0,0,1,0,0|2,0,0]=3 31 B9R1.35 c1c([nH][nH]c1=O)C(=O)O CUR-0099000 [0,0,0,1,0,0|0,0,2]=3 32 B9R1.35 c1c([nH]c(=O)[nH]1)C(=O)O CUR-0027703 [0,0,0,1,0,0|2,0,1]=4 33 B7R0.16 C(=O)(C(=O)O)C(=O)O CUR-0028231 [0,0,0,0,1,0|2,0,1]=4 34 B7R0.16 CC(=O)C(C(=O)C)Cl CUR-0004455 [0,0,0,0,1,0|3,0,0]=4 35 B7R0.16 CC(C(=O)C)C(=O)C CUR-0101719 [0,0,0,0,1,0|3,0,0]=4 36 B7R0.16 CC(C(C(=O)O)N)O CUR-0101788 [0,0,0,0,1,0|1,0,2]=4 37 B7R0.16 CC(C)[C@@H](C(=O)O)N CUR-0016393 [0,0,0,0,1,0|2,0,1]=4 38 B7R0.16 CC(C)[C@H](C(=O)O)N CUR-0101079 [0,0,0,0,1,0|2,0,1]=4 39 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CUR-0023309 [0,0,0,0,1,0|1,0,2]=4 40 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N CUR-0100985 [0,0,0,0,0,1|0,0,0]=1 41 B9R0.7 C(CC(=O)O)C(=O)C(=O)O CUR-0017496 [0,0,0,0,0,1|2,0,1]=4 42 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N CUR-0013957 [0,0,0,0,0,1|1,0,0]=2 43 B6R0.2 C(C(=O)N)C(=O)N CUR-0021261 [2,0,0,0,0,0|0,0,1]=3 44 B6R0.2 C(C(=O)N)C(=S)N CUR-0096493 [2,0,0,0,0,0|0,1,1]=4 45 B6R0.2 CC(=O)CC(=O)N CUR-0101600 [2,0,0,0,0,0|1,0,1]=4 46 B6R0.4 C(CC(=O)O)CN CUR-0010241 [2,0,0,0,0,0|0,0,1]=3 47 B6R0.4 C=CCCC(=O)O CUR-0101586 [2,0,0,0,0,0|1,0,0]=3 48 B6R0.4 CCCCC(=O)O CUR-0101620 [2,0,0,0,0,0|1,0,1]=4 49 B6R0.4 COCCC(=O)O CUR-0012995 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.3 C(C(C(=O)O)Br)Br CUR-0100855 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.3 C(C(C(=O)O)N)O CUR-0101646 [2,0,0,0,0,0|0,0,1]=3 52 B6R0.3 C(C(C(=O)O)N)S CUR-0101261 [2,0,0,0,0,0|0,1,0]=3 53 B6R0.3 C([C@@H](C(=O)O)N)O CUR-0101109 [2,0,0,0,0,0|0,0,1]=3 54 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0004971 [2,0,0,0,0,0|0,1,0]=3 55 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0101810 [2,0,0,0,0,0|0,1,0]=3 56 B6R0.3 CCC(C(=O)O)Br CUR-0102801 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.3 CCC(C(=O)O)N CUR-0010659 [2,0,0,0,0,0|0,0,1]=3 58 B6R0.3 CCC(C)C(=O)O CUR-0101619 [2,0,0,0,0,0|1,0,1]=4 59 B8R0.8 C(C[C@@H](C(=O)O)N)CN CUR-0101406 [1,1,0,0,0,0|0,0,1]=3 60 B8R0.8 CCCCC(C(=O)O)N CUR-0009588 [1,1,0,0,0,0|1,0,1]=4 61 B8R0.8 CSCCC(C(=O)O)N CUR-0020132 [1,1,0,0,0,0|0,1,1]=4 62 B8R0.8 CSCC[C@@H](C(=O)O)N CUR-0122285 [1,1,0,0,0,0|0,1,1]=4 63 B8R0.9 C(C(=O)NCC(=O)O)N CUR-0013722 [1,1,0,0,0,0|1,0,0]=3 64 B8R0.9 COC(=O)CCC(=O)Cl CUR-0001082 [1,1,0,0,0,0|1,0,0]=3 65 B8R0.9 COC(=O)CCC(=O)O CUR-0027389 [1,1,0,0,0,0|1,0,0]=3 66 B8R0.37 CC(C)(C(=O)O)C(=O)O CUR-0023735 [0,1,0,0,1,0|2,0,0]=4 67 B8R1.1 C1C(CNC1=O)CO CUR-0098527 [1,0,0,1,0,0|1,0,1]=4 68 B8R1.18 C1C(=O)NC(=O)N1N CUR-0101734 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.7 C1C=CCC1C(=O)O CUR-0017055 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.7 C1CC(NC1)C(=O)O CUR-0028986 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.7 C1C[C@@H](NC1)C(=O)O CUR-0100756 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.7 C1C[C@H](NC1)C(=O)O CUR-0101268 [1,0,0,1,0,0|1,0,1]=4 73 B8R1.7 C1[C@H](NCS1)C(=O)O CUR-0102015 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.23 C1C(CC1=O)C(=O)O CUR-0097339 [1,0,0,1,0,0|1,0,0]=3 75 B10R1.13 C1CC(=O)NCC1C(=O)O CUR-0014865 [0,0,0,1,0,1|1,0,0]=3 76 B10R1.13 C1CC(=O)NN=C1C(=O)O CUR-0020215 [0,0,0,1,0,1|0,0,2]=4 77 B10R1.14 COC(=O)C1CNC(=O)O1 CUR-0100812 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.113 C1CNC(=O)CC1C(=O)O CUR-0011374 [0,1,0,1,0,0|1,0,0]=3 79 B8R0.28 C(C(=O)O)NCC(=O)O CUR-0102003 [1,0,0,0,0,1|1,0,0]=3 80 B8R0.28 C(C(=O)O)SCC(=O)O CUR-0008007 [1,0,0,0,0,1|1,0,0]=3 81 B8R0.28 C(CC(=O)O)CC(=O)O CUR-0012316 [1,0,0,0,0,1|1,0,0]=3