0 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N CUR-0122501 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.2 CCC(C)CC(=O)O CUR-0101758 [1,0,0,0,0,0|0,0,0]=1 2 B7R0.5 C(CO)C(C(=O)O)N CUR-0009208 [1,0,0,0,0,0|1,0,0]=2 3 B7R0.5 CCCC(C(=O)O)Br CUR-0020650 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.16 CC(C(C(=O)O)N)O CUR-0101788 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.16 CC(C)[C@@H](C(=O)O)N CUR-0016393 [1,0,0,0,0,0|0,0,0]=1 6 B7R0.16 CC(C)[C@H](C(=O)O)N CUR-0101079 [1,0,0,0,0,0|0,0,0]=1 7 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CUR-0023309 [1,0,0,0,0,0|1,0,0]=2 8 B9R0.32 CC(C)(C=C)[C@@H](C(=O)O)N CUR-0122776 [0,1,0,0,0,0|0,0,2]=3 9 B9R1.41 CC1CCCC1C(=O)O CUR-0018388 [0,0,0,1,0,0|1,0,0]=2 10 B6R0.1 CCCC(C)C=O CUR-0101597 [2,0,0,0,0,0|1,0,0]=3 11 B6R0.2 CC(=CC(=O)O)C CUR-0101587 [2,0,0,0,0,0|0,0,2]=4 12 B6R0.2 CC(C)CC(=O)C CUR-0017562 [2,0,0,0,0,0|1,0,0]=3 13 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [2,0,0,0,0,0|1,0,0]=3 14 B6R0.2 CC(C)CC(=O)O CUR-0017645 [2,0,0,0,0,0|0,0,0]=2 15 B6R0.2 CC(C)OC(=O)Cl CUR-0100902 [2,0,0,0,0,0|2,0,0]=4 16 B6R0.4 C(CC(=O)Cl)CBr CUR-0103177 [2,0,0,0,0,0|2,0,0]=4 17 B6R0.4 C(CC(=O)Cl)CCl CUR-0020663 [2,0,0,0,0,0|2,0,0]=4 18 B6R0.4 C(CC(=O)O)CN CUR-0010241 [2,0,0,0,0,0|1,0,0]=3 19 B6R0.4 C=CCCC(=O)O CUR-0101586 [2,0,0,0,0,0|0,0,2]=4 20 B6R0.4 CC(=O)CCCCl CUR-0004280 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.4 CCCCC(=O)C CUR-0101595 [2,0,0,0,0,0|1,0,0]=3 22 B6R0.4 CCCCC(=O)Cl CUR-0101805 [2,0,0,0,0,0|1,0,0]=3 23 B6R0.4 CCCCC(=O)O CUR-0101620 [2,0,0,0,0,0|0,0,0]=2 24 B6R0.4 CCOCC(=O)O CUR-0101637 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.4 COCCC(=O)O CUR-0012995 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.3 C(C(C(=O)O)Br)Br CUR-0100855 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.3 C(C(C(=O)O)N)O CUR-0101646 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.3 C(C(C(=O)O)N)S CUR-0101261 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.3 C([C@@H](C(=O)O)N)O CUR-0101109 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0004971 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0101810 [2,0,0,0,0,0|1,0,0]=3 32 B6R0.3 CC(C)C(=NO)N CUR-0027209 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.3 CCC(C(=O)N)Br CUR-0027495 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.3 CCC(C(=O)O)Br CUR-0102801 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.3 CCC(C(=O)O)N CUR-0010659 [2,0,0,0,0,0|0,0,0]=2 36 B6R0.3 CCC(C(C)O)N CUR-0067426 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.3 CCC(C)C(=O)O CUR-0101619 [2,0,0,0,0,0|1,0,0]=3 38 B8R0.5 CCOC(=O)CC(=O)O CUR-0100749 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.16 CC(=O)CC(OC)OC CUR-0004159 [1,1,0,0,0,0|2,0,0]=4 40 B8R0.16 CCC(CC)CC(=O)O CUR-0002088 [1,1,0,0,0,0|0,0,0]=2 41 B8R0.19 CCC(=O)CC(=O)OC CUR-0009634 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.8 C(C[C@@H](C(=O)O)N)CN CUR-0101406 [1,1,0,0,0,0|0,0,0]=2 43 B8R0.8 CCCCC(C(=O)O)Br CUR-0103355 [1,1,0,0,0,0|1,0,0]=3 44 B8R0.8 CCCCC(C(=O)O)N CUR-0009588 [1,1,0,0,0,0|0,0,0]=2 45 B8R0.8 CSCCC(C(=O)O)N CUR-0020132 [1,1,0,0,0,0|0,0,0]=2 46 B8R0.8 CSCC[C@@H](C(=O)O)N CUR-0122285 [1,1,0,0,0,0|0,0,0]=2 47 B8R0.27 CC(C)(C)C(C(=O)O)N CUR-0009030 [1,1,0,0,0,0|0,0,0]=2 48 B8R1.1 C1C(CNC1=O)CBr CUR-0022348 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.1 C1C(CNC1=O)CN CUR-0046714 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.1 C1C(CNC1=O)CO CUR-0098527 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.1 CNC1CC(=O)NC1 CUR-0011593 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.4 CC1CCCC(=O)C1 CUR-0101702 [1,0,0,1,0,0|1,0,0]=3 53 B8R1.4 CC1CCCC(C1)O CUR-0017679 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.5 C1CC(C(=O)NC1)Br CUR-0014307 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.5 C1CC(C(=O)OC1)Br CUR-0008409 [1,0,0,1,0,0|1,0,0]=3 56 B8R1.5 C1CCC(=O)C(C1)Cl CUR-0101998 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.5 CC1CCCCC1=O CUR-0101703 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.7 C1CC(NC1)C(=O)O CUR-0028986 [1,0,0,1,0,0|0,0,0]=2 59 B8R1.7 C1CC(OC1)C(=O)O CUR-0016168 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.7 C1CCC(C1)C(=O)O CUR-0019739 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.7 C1COCC1C(=O)O CUR-0024198 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.7 C1CSC(S1)C(=O)O CUR-0011824 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.7 C1C[C@@H](NC1)C(=O)O CUR-0100756 [1,0,0,1,0,0|0,0,0]=2 64 B8R1.7 C1C[C@H](NC1)C(=O)N CUR-0101723 [1,0,0,1,0,0|1,0,0]=3 65 B8R1.7 C1C[C@H](NC1)C(=O)O CUR-0101268 [1,0,0,1,0,0|0,0,0]=2 66 B8R1.7 C1[C@H](NCS1)C(=O)O CUR-0102015 [1,0,0,1,0,0|1,0,0]=3 67 B8R1.54 C1CC1C(C(=O)N)N CUR-0101299 [1,0,0,1,0,0|1,0,0]=3 68 B8R1.78 C1CC(C1)(C(=O)N)N CUR-0011550 [1,0,0,1,0,0|1,0,0]=3 69 B10R1.113 CN1CCCC(C1)C(=O)O CUR-0102217 [0,0,0,1,0,1|2,0,0]=4 70 B10R1.61 C1CCC(C(C1)C(=O)O)N CUR-0081649 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.128 C1CC(C(C1)(F)F)C(=O)O CUR-0089587 [0,1,0,1,0,0|2,0,0]=4