0 B7R0.9 CC(=O)CC(C)(C)O CUR-0020852 [0,0,0,0,0,0|0,1,2]=3 1 B7R0.9 CC(=O)OC(C)(C)C CUR-0001433 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.9 CC(C)(C)CC(=O)Cl CUR-0102044 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.9 CC(C)(C)CC(=O)O CUR-0101757 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(C)CC(=O)C CUR-0017562 [1,0,0,0,0,0|0,0,2]=3 5 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.2 CC(C)CC(=O)O CUR-0017645 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.2 CC(C)NC(C)C CUR-0028446 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.5 CC(C)(C)CC=O CUR-0101596 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.5 CC(C)(C)CNN CUR-0101236 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.5 CC(C)(CCO)O CUR-0101415 [1,0,0,0,0,0|0,1,0]=2 11 B6R0.5 CS(=O)(=O)CCO CUR-0101869 [1,0,0,0,0,0|2,1,0]=4 12 B6R0.5 C[N+](C)(C)CCO CUR-0013658 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.5 C[N+](C)(C)CCO CUR-0024609 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.27 CC(C)(C)C(C(=O)O)N CUR-0009030 [0,1,0,0,0,0|2,0,1]=4 15 B8R1.51 C1CS(=O)(=O)CC1O CUR-0005932 [0,0,0,1,0,0|2,1,0]=4 16 B6R0.7 CC(=O)C(C)(C)C CUR-0101594 [0,0,0,0,1,0|1,0,2]=4 17 B6R0.7 CC(C)(C(=O)O)N CUR-0019881 [0,0,0,0,1,0|2,0,1]=4 18 B6R0.7 CC(C)(C)C(=O)O CUR-0000758 [0,0,0,0,1,0|2,0,1]=4 19 B8R0.29 CC(COC(C)(C)C)O CUR-0044050 [0,0,0,0,0,1|1,0,0]=2 20 B5R0.1 C(CS)C(=O)O CUR-0101651 [2,0,0,0,0,0|1,0,1]=4 21 B5R0.1 CC(C)CC#N CUR-0101228 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.1 CC(C)CC=O CUR-0101502 [2,0,0,0,0,0|0,0,2]=4 23 B5R0.1 CC(C)CCBr CUR-0002757 [2,0,0,0,0,0|1,0,0]=3 24 B5R0.1 CC(C)CCN CUR-0101511 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.1 CC(C)CCO CUR-0003416 [2,0,0,0,0,0|0,0,0]=2 26 B5R0.1 CC(C)CNN CUR-0001046 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.1 CC(CCO)O CUR-0003759 [2,0,0,0,0,0|0,1,0]=3 28 B5R0.1 CC(COC)N CUR-0101532 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.1 CC(CSC)N CUR-0019523 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.1 CCCC(=O)C CUR-0026599 [2,0,0,0,0,0|0,0,2]=4 31 B5R0.1 CCCC(=O)O CUR-0020198 [2,0,0,0,0,0|1,0,1]=4 32 B5R0.1 CCCC(C)O CUR-0023615 [2,0,0,0,0,0|0,0,0]=2 33 B5R0.1 CN(C)CCCl CUR-0017041 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.1 CN(C)CCN CUR-0101525 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.1 CN(C)CCO CUR-0019188 [2,0,0,0,0,0|1,0,0]=3 36 B5R0.4 CC(C)(C)OO CUR-0122293 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.4 CC(C)(CCl)O CUR-0008479 [2,0,0,0,0,0|1,1,0]=4 38 B5R0.4 CC(C)(CO)N CUR-0101533 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.4 CCC(C)(C)N CUR-0017274 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.4 CCC(C)(C)O CUR-0012425 [2,0,0,0,0,0|0,1,0]=3 41 B7R0.2 CCC(C)CC(=O)O CUR-0101758 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.2 CN(C)CC(CO)N CUR-0048488 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.2 CN(C)CC(CO)N CUR-0163315 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.16 CC(C)[C@@H](C(=O)O)N CUR-0016393 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.16 CC(C)[C@H](C(=O)O)N CUR-0101079 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.8 CC(C)(C)OCCO CUR-0101780 [1,1,0,0,0,0|1,0,0]=3 47 B7R0.11 CC(CN)(COC)O CUR-0010743 [1,1,0,0,0,0|1,1,0]=4 48 B7R0.17 CC(C)(C(C)(C)O)O CUR-0008451 [0,1,0,0,1,0|0,1,0]=3 49 B7R1.12 CC1CC1C(=O)O CUR-0100917 [1,0,0,1,0,0|1,0,1]=4 50 B7R1.20 C1CC1CC(=O)O CUR-0101588 [1,0,0,1,0,0|1,0,1]=4 51 B7R1.14 CC1(CCCN1)C CUR-0020922 [1,0,0,1,0,0|1,0,0]=3 52 B7R1.14 CC1(COCN1)C CUR-0101605 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.51 CC(C)(C)N1CC(C1)O CUR-0101325 [0,0,0,1,0,1|1,0,0]=3 54 B9R1.133 CC1(OCC(O1)CO)C CUR-0101988 [0,1,0,1,0,0|1,1,0]=4 55 B5R0.5 CC(C(=O)C)O CUR-0101517 [1,0,0,0,1,0|0,1,1]=4 56 B5R0.5 CC(C(=O)O)S CUR-0001712 [1,0,0,0,1,0|1,0,1]=4 57 B5R0.5 CC(C(C)Br)Br CUR-0103657 [1,0,0,0,1,0|2,0,0]=4 58 B5R0.5 CC(C)C(=O)C CUR-0101503 [1,0,0,0,1,0|0,0,2]=4 59 B5R0.5 CC(C)C(=O)O CUR-0023620 [1,0,0,0,1,0|1,0,1]=4