0 B7R1.4 C1COC(=O)C1Br 8284 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.4 CC1C(=O)CCO1 10277 [0,0,0,0,0,0|0,0,0]=0 2 B7R1.4 CN1CCCC1=O 5092 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.4 CN1CCCC1=O M0011 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 C1CC(=O)C=C1 9804 [1,0,0,0,0,0|1,0,1]=3 5 B6R1.2 C1CC(=O)NC1 P0006 [1,0,0,0,0,0|2,0,0]=3 6 B6R1.2 C1CC(=O)OC1 8838 [1,0,0,0,0,0|2,0,0]=3 7 B6R1.2 C1CCC(=O)C1 9600 [1,0,0,0,0,0|1,0,0]=2 8 B6R1.2 C1CCC(C1)Br 6579 [1,0,0,0,0,0|2,0,1]=4 9 B6R1.2 C1CNC(=O)N1 6785 [1,0,0,0,0,0|3,0,0]=4 10 B6R1.2 C1COCC1O 5705 [1,0,0,0,0,0|0,0,2]=3 11 B6R1.2 C1COCC1O 6234 [1,0,0,0,0,0|0,0,2]=3 12 B6R1.2 C1C[NH2+]C[C@H]1O 10482 [1,0,0,0,0,0|1,0,2]=4 13 B8R1.50 C1CC(=O)N(C1=O)Cl 10062 [0,1,0,0,0,0|3,0,0]=4 14 B8R1.50 C1CC(=O)N(C1=O)I 9964 [0,1,0,0,0,0|3,0,0]=4 15 B8R1.50 CN1CCN(C1=O)C 6841 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.1 CCCC(=O)NN 9684 [0,0,1,0,0,0|3,0,0]=4 17 B6R0.1 CCOC(=O)C=O 6826 [0,0,1,0,0,0|1,0,1]=3 18 B6R0.1 CCOC(=O)CN 10010 [0,0,1,0,0,0|3,0,0]=4 19 B6R0.1 COC(=O)CCBr 5506 [0,0,1,0,0,0|2,0,0]=3 20 B6R0.3 CC(C(=O)OC)N 10241 [0,0,1,0,0,0|2,0,0]=3 21 B6R0.3 COC(=O)C(F)F 9880 [0,0,1,0,0,0|3,0,0]=4 22 B6R0.6 C=CCCCCBr 5037 [0,0,1,0,0,0|3,0,0]=4 23 B8R1.4 C1CC(=CC(=O)C1)N 8165 [0,0,0,0,0,1|2,0,1]=4 24 B8R1.4 C1CC(=O)CC(=O)C1 10153 [0,0,0,0,0,1|2,0,1]=4 25 B8R1.4 C1CNC(=O)CC1=O 9532 [0,0,0,0,0,1|2,0,1]=4 26 B8R1.4 CC1CCCC(N1)C 10243 [0,0,0,0,0,1|2,0,1]=4 27 B5R0.2 COCCCBr 9602 [1,0,1,0,0,0|1,0,1]=4 28 B5R0.3 C(C(=O)CCl)Cl D0044 [1,0,1,0,0,0|2,0,0]=4 29 B5R0.5 CC(=O)C(F)F 6617 [1,0,1,0,0,0|2,0,0]=4 30 B5R0.5 C[C@@H](C(=O)O)N 5042 [1,0,1,0,0,0|2,0,0]=4 31 B5R0.5 C[C@@H](C(=O)O)N 5087 [1,0,1,0,0,0|2,0,0]=4 32 B5R1.1 C1CCOC1 5749 [2,0,0,0,0,0|0,0,1]=3 33 B7R0.2 C[C@H](CC(=O)OC)O 6807 [0,1,1,0,0,0|1,0,0]=3 34 B7R0.3 COC(=O)CCCBr 9868 [0,1,1,0,0,0|2,0,0]=4 35 B7R0.3 COC(=O)CCCN 8415 [0,1,1,0,0,0|2,0,0]=4 36 B7R0.5 CCOC(=O)[C@H](C)O 9449 [0,1,1,0,0,0|2,0,0]=4 37 B7R0.7 CCOC(=O)CCN 8696 [0,1,1,0,0,0|1,0,0]=3 38 B7R0.10 COC(=O)C(=C)CO 8095 [0,1,1,0,0,0|1,0,1]=4 39 B7R0.14 CC(C)(C)C(=O)CCl 10645 [0,1,1,0,0,0|2,0,0]=4 40 B7R1.1 C1CCC(C1)CO 8627 [1,1,0,0,0,0|1,0,1]=4 41 B7R1.2 C1CC(=O)CC1=O 5093 [1,1,0,0,0,0|1,0,0]=3 42 B7R1.3 C1CCC(=O)CC1 5327 [0,0,1,1,0,0|1,0,0]=3 43 B7R1.3 C1CNCCC1=O 10646 [0,0,1,1,0,0|1,0,0]=3 44 B7R1.3 C1CNCCC1=O 8608 [0,0,1,1,0,0|1,0,0]=3 45 B7R1.3 C1COCCC1=O 9746 [0,0,1,1,0,0|0,0,0]=2 46 B7R1.3 C1COCCC1N 8234 [0,0,1,1,0,0|1,0,1]=4 47 B7R1.3 C1COCCC1N 9213 [0,0,1,1,0,0|1,0,1]=4 48 B7R1.18 C1CC(C1)C(=O)O 8209 [0,0,1,1,0,0|2,0,0]=4 49 B5R1.2 C1CC(=O)C1 5717 [1,0,0,0,1,0|0,0,0]=2