0 B8R0.23 C(C(C(=O)O)N)C(=O)O CUR-0025971 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.23 C(C(C(=O)O)O)C(=O)O CUR-0102024 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.23 C(C(C(=O)O)S)C(=O)O CUR-0102354 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N CUR-0101987 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O CUR-0015472 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.23 C([C@H](C(=O)O)N)C(=O)O CUR-0102002 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.23 CC(C)CC(C(=O)O)N CUR-0101977 [0,0,0,0,0,0|0,0,0]=0 7 B8R0.23 CC(C)C[C@H](C(=O)O)N CUR-0101976 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.2 CC(C)CC(=O)C=C CUR-0050915 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.2 CN(C)CC(CO)N CUR-0048488 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.2 CN(C)CC(CO)N CUR-0163315 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.5 C(CO)C(C(=O)O)N CUR-0009208 [1,0,0,0,0,0|1,0,0]=2 12 B7R0.5 CCCC(C(=O)O)Br CUR-0020650 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.6 C(CC(=O)O)C(=O)O CUR-0014664 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.6 CC(=O)CCC(=O)C CUR-0022649 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.6 CC(=O)CCC(=O)O CUR-0012941 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.6 CC(=O)NCC(=O)O CUR-0024688 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.6 CC(C)COC(=O)Cl CUR-0020162 [1,0,0,0,0,0|2,0,0]=3 18 B9R0.10 CC(C)CC(O)S(=O)(=O)[O-] CUR-0155188 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.23 C[C@H](CC(C)C)C(=O)OC CUR-0101362 [0,1,0,0,0,0|1,0,0]=2 20 B9R0.57 CC(C(=O)O)NC(C)(C)C CUR-0101259 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.35 C1C(CNC1C(=O)O)O CUR-0100797 [0,0,0,1,0,0|1,0,0]=2 22 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O CUR-0003674 [0,0,0,1,0,0|1,0,0]=2 23 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O CUR-0013245 [0,0,0,1,0,0|1,0,0]=2 24 B9R1.164 C1C(CC1(F)F)C(=O)O CUR-0083022 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.164 CC1(CC(C1)C(=O)O)C CUR-0098627 [0,0,0,1,0,0|1,0,0]=2 26 B7R0.16 CC(C(C(=O)O)N)O CUR-0101788 [0,0,0,0,1,0|1,0,0]=2 27 B7R0.16 CC(C)[C@@H](C(=O)O)N CUR-0016393 [0,0,0,0,1,0|0,0,0]=1 28 B7R0.16 CC(C)[C@H](C(=O)O)N CUR-0101079 [0,0,0,0,1,0|0,0,0]=1 29 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CUR-0023309 [0,0,0,0,1,0|1,0,0]=2 30 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N CUR-0100985 [0,0,0,0,0,1|2,0,1]=4 31 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N CUR-0013957 [0,0,0,0,0,1|2,0,1]=4 32 B6R0.1 CCCC(C)C=O CUR-0101597 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.2 CC(C)CC(=O)C CUR-0017562 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.2 CC(C)CC(=O)O CUR-0017645 [2,0,0,0,0,0|1,0,1]=4 36 B6R0.4 C(CC(=O)Cl)CBr CUR-0103177 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.4 C(CC(=O)Cl)CCl CUR-0020663 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.4 C(CC(=O)O)CN CUR-0010241 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.4 C=CCCC(=O)O CUR-0101586 [2,0,0,0,0,0|0,0,2]=4 40 B6R0.4 CC(=O)CCCCl CUR-0004280 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.4 CC(C)CCNN CUR-0019174 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.4 CC(C)CCON CUR-0153393 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.4 CC(C)CN=C=O CUR-0095337 [2,0,0,0,0,0|1,0,1]=4 44 B6R0.4 CC(C)NCCO CUR-0101633 [2,0,0,0,0,0|1,0,1]=4 45 B6R0.4 CCCCC(=O)C CUR-0101595 [2,0,0,0,0,0|1,0,0]=3 46 B6R0.4 CCCCC(=O)Cl CUR-0101805 [2,0,0,0,0,0|1,0,0]=3 47 B6R0.4 CCCCC(=O)O CUR-0101620 [2,0,0,0,0,0|0,0,0]=2 48 B6R0.4 CCOCC(=O)O CUR-0101637 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.4 CN(C)CCCO CUR-0020324 [2,0,0,0,0,0|1,0,1]=4 50 B6R0.4 COCCC(=O)O CUR-0012995 [2,0,0,0,0,0|1,0,0]=3 51 B6R0.3 C(C(C(=O)O)Br)Br CUR-0100855 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.3 C(C(C(=O)O)N)O CUR-0101646 [2,0,0,0,0,0|1,0,0]=3 53 B6R0.3 C(C(C(=O)O)N)S CUR-0101261 [2,0,0,0,0,0|1,0,0]=3 54 B6R0.3 C([C@@H](C(=O)O)N)O CUR-0101109 [2,0,0,0,0,0|1,0,0]=3 55 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0004971 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0101810 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.3 CCC(C(=O)N)Br CUR-0027495 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.3 CCC(C(=O)O)Br CUR-0102801 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.3 CCC(C(=O)O)N CUR-0010659 [2,0,0,0,0,0|0,0,0]=2 60 B6R0.3 CCC(C(C)O)N CUR-0067426 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.3 CCC(C)C(=O)O CUR-0101619 [2,0,0,0,0,0|1,0,0]=3 62 B8R0.8 C(C[C@@H](C(=O)O)N)CN CUR-0101406 [1,1,0,0,0,0|0,0,0]=2 63 B8R0.8 CCCCC(C(=O)O)Br CUR-0103355 [1,1,0,0,0,0|1,0,0]=3 64 B8R0.8 CCCCC(C(=O)O)N CUR-0009588 [1,1,0,0,0,0|0,0,0]=2 65 B8R0.8 CSCCC(C(=O)O)N CUR-0020132 [1,1,0,0,0,0|0,0,0]=2 66 B8R0.8 CSCC[C@@H](C(=O)O)N CUR-0122285 [1,1,0,0,0,0|0,0,0]=2 67 B8R0.9 COC(=O)CCC(=O)O CUR-0027389 [1,1,0,0,0,0|1,0,1]=4 68 B8R0.29 C(CC(F)(F)F)C(=O)O CUR-0102178 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.27 CC(C)(C)C(C(=O)O)N CUR-0009030 [0,1,0,0,1,0|0,0,0]=2 70 B10R0.92 C(CC(F)(F)F)C(C(=O)O)N CUR-0018642 [0,1,0,0,0,1|2,0,0]=4 71 B10R0.93 CC(C)C(=O)NC(C)C(=O)O CUR-0019406 [0,1,0,0,0,1|1,0,1]=4 72 B8R1.18 CC1CC(C(=O)O1)Br CUR-0020365 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.53 CC1(CC(C1)CO)C CUR-0098639 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.5 C1CC(C(=O)NC1)Br CUR-0014307 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.5 C1CC(C(=O)OC1)Br CUR-0008409 [1,0,0,1,0,0|1,0,0]=3 76 B8R1.5 C1CCC(=O)C(C1)Cl CUR-0101998 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.5 CC1CCCCC1=O CUR-0101703 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.7 C1CC(NC1)C(=O)O CUR-0028986 [1,0,0,1,0,0|0,0,0]=2 79 B8R1.7 C1CC(OC1)C(=O)O CUR-0016168 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.7 C1CCC(C1)C(=O)O CUR-0019739 [1,0,0,1,0,0|1,0,0]=3 81 B8R1.7 C1COCC1C(=O)O CUR-0024198 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.7 C1CSC(S1)C(=O)O CUR-0011824 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.7 C1C[C@@H](NC1)C(=O)O CUR-0100756 [1,0,0,1,0,0|0,0,0]=2 84 B8R1.7 C1C[C@H](NC1)C(=O)N CUR-0101723 [1,0,0,1,0,0|1,0,0]=3 85 B8R1.7 C1C[C@H](NC1)C(=O)O CUR-0101268 [1,0,0,1,0,0|0,0,0]=2 86 B8R1.7 C1[C@H](NCS1)C(=O)O CUR-0102015 [1,0,0,1,0,0|1,0,0]=3 87 B8R1.54 C1CC1C(C(=O)N)N CUR-0101299 [1,0,0,1,0,0|1,0,0]=3 88 B8R1.78 C1CC(C1)(C(=O)N)N CUR-0011550 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.3 C1CC(=O)NCC1N CUR-0023298 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.3 C1CC(=O)NCC1N CUR-0094615 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.3 CC1CCC(=O)CC1 CUR-0016613 [1,0,0,1,0,0|1,0,0]=3 92 B8R1.3 CC1CCC(CC1)O CUR-0005881 [1,0,0,1,0,0|1,0,1]=4 93 B8R1.3 CN1CCC(=O)CC1 CUR-0101707 [1,0,0,1,0,0|2,0,0]=4 94 B10R1.13 CN1CCC(CC1)C(=O)O CUR-0028799 [0,0,0,1,0,1|2,0,0]=4 95 B10R1.329 CC1CC(=O)CC(C1)(C)C CUR-0102146 [0,0,0,1,0,1|2,0,0]=4 96 B10R1.113 CN1CCCC(C1)C(=O)O CUR-0102217 [0,1,0,1,0,0|2,0,0]=4 97 B10R2.646 C1CC12CC(C2)C(=O)O CUR-0138607 [0,0,0,2,0,0|1,0,0]=3 98 B10R0.98 CC(C)CCC[C@@H](C(=O)O)N CUR-0017303 [0,0,0,0,0,2|0,0,0]=2