0 B5R0.3 C(C(=O)CCl)Cl D0044 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C(C(CCl)O)Cl 10131 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.3 C(C(CF)O)F 9295 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 C(C(CO)N)O 6680 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.3 C([C@H](CCl)O)O 10506 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.1 B(CC)(O)O 5199 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 C(C(=O)O)Cl 8290 [1,0,0,0,0,0|1,0,2]=4 7 B4R0.1 C(C(=O)O)O G0026 [1,0,0,0,0,0|0,0,2]=3 8 B4R0.1 C(C(F)F)I 5445 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 CC(CO)N 6831 [1,0,0,0,0,0|1,0,0]=2 10 B4R0.1 C[C@H](CO)N 5724 [1,0,0,0,0,0|1,0,0]=2 11 B4R0.2 C#CCCO 9231 [1,0,0,0,0,0|1,0,1]=3 12 B4R0.2 C(CN)CBr 9620 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.2 C(CO)CBr 8105 [1,0,0,0,0,0|1,0,0]=2 14 B4R0.2 C(CO)CI 8013 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.2 C=CCCBr 5697 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.2 COCCBr 5599 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.3 C(C(C(=O)O)Br)Br 6758 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.3 C(C(C(=O)O)N)O 6847 [0,1,0,0,0,0|1,0,1]=3 19 B6R0.3 C(C(C(=O)O)N)O 8529 [0,1,0,0,0,0|1,0,1]=3 20 B6R0.3 C([C@@H](C(=O)O)N)S 6874 [0,1,0,0,0,0|1,1,1]=4 21 B6R0.9 COC(CN)OC 8103 [0,1,0,0,0,0|3,0,0]=4 22 B6R1.2 C1CCC(C1)Br 6579 [0,0,0,1,0,0|3,0,0]=4 23 B6R1.2 C1COCC1O 5705 [0,0,0,1,0,0|1,0,0]=2 24 B6R1.2 C1COCC1O 6234 [0,0,0,1,0,0|1,0,0]=2 25 B6R1.2 C1C[NH2+]C[C@H]1O 10482 [0,0,0,1,0,0|2,0,0]=3 26 B6R1.6 C1CC(C1)CO 8690 [0,0,0,1,0,0|2,0,0]=3 27 B6R1.7 CC1(CO1)CCl 8874 [0,0,0,1,0,0|2,0,0]=3 28 B3R0.1 C(CI)F 10671 [2,0,0,0,0,0|2,0,0]=4 29 B3R0.1 C(CO)O 5930 [2,0,0,0,0,0|0,0,0]=2 30 B3R0.2 C(=O)(O)O 5809 [2,0,0,0,0,0|0,0,2]=4 31 B3R0.2 CC(Cl)Cl 6701 [2,0,0,0,0,0|2,0,0]=4 32 B3R0.2 CS(=O)O 5013 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.4 CC(C)(CO)N 9438 [1,1,0,0,0,0|1,0,0]=3 34 B5R0.5 C[C@@H](C(=O)O)N 5042 [1,1,0,0,0,0|1,0,1]=4 35 B5R0.5 C[C@@H](C(=O)O)N 5087 [1,1,0,0,0,0|1,0,1]=4 36 B5R0.2 C(CCN)CN 8513 [1,1,0,0,0,0|2,0,0]=4 37 B5R0.2 COCCCBr 9602 [1,1,0,0,0,0|1,0,0]=3 38 B7R0.2 C(C(CN)O)C(=O)O 8603 [0,2,0,0,0,0|1,0,0]=3 39 B7R0.2 CN(C)CC(CO)O 8841 [0,2,0,0,0,0|1,0,0]=3 40 B7R0.5 C(CN)[C@@H](C(=O)O)O 6458 [0,2,0,0,0,0|1,0,1]=4 41 B7R0.5 C(CO)[C@@H](C(=O)O)N 10392 [0,2,0,0,0,0|1,0,1]=4 42 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 6845 [0,2,0,0,0,0|1,0,1]=4 43 B7R0.18 C(C(CO)(CO)N)O 5726 [0,2,0,0,0,0|0,0,0]=2 44 B5R1.2 C1C(CN1)O 5077 [1,0,0,1,0,0|1,0,0]=3 45 B5R1.3 C1CC1CN 9710 [1,0,0,1,0,0|2,0,0]=4 46 B5R1.3 C1CC1CO 6152 [1,0,0,1,0,0|1,0,0]=3 47 B5R1.1 C1CCOC1 5749 [1,0,0,1,0,0|1,0,0]=3 48 B7R1.1 C1CCC(C1)CO 8627 [0,1,0,1,0,0|2,0,0]=4 49 B7R1.3 C1CC(CNC1)O 10421 [0,1,0,1,0,0|2,0,0]=4 50 B7R1.3 C1CNCCC1O 10611 [0,1,0,1,0,0|2,0,0]=4 51 B7R1.3 C1CNCCC1O 5693 [0,1,0,1,0,0|2,0,0]=4 52 B7R1.3 C1COCCC1N 8234 [0,1,0,1,0,0|2,0,0]=4 53 B7R1.3 C1COCCC1N 9213 [0,1,0,1,0,0|2,0,0]=4 54 B7R1.29 C1CC1(CO)CO 6738 [0,1,0,1,0,0|1,0,0]=3