0 B5R0.3 C(C(=O)CCl)Cl D0044 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 B(CC)(O)O 5199 [1,0,0,0,0,0|2,0,1]=4 2 B4R0.1 C(=O)(N)NN 5932 [1,0,0,0,0,0|3,0,0]=4 3 B4R0.1 C(=O)(N)NO 10448 [1,0,0,0,0,0|3,0,0]=4 4 B4R0.1 C(C(=O)N)Br 9173 [1,0,0,0,0,0|2,0,0]=3 5 B4R0.1 C(C(=O)N)Cl 6815 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 C(C(=O)N)N 5258 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.1 C(C(=O)O)Cl 8290 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.1 C(C(=O)O)O G0026 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.1 C=C(C#N)Cl 8628 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 CCC(=O)N 8889 [1,0,0,0,0,0|1,0,0]=2 11 B4R0.1 CCS(=O)[O-] 8969 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.2 C=CCCBr 5697 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.1 CCCC(=O)NN 9684 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.1 CCOC(=O)C=O 6826 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.1 CCOC(=O)CN 10010 [0,1,0,0,0,0|1,0,1]=3 16 B6R0.1 COC(=O)CCBr 5506 [0,1,0,0,0,0|1,0,1]=3 17 B6R0.3 CC(C(=O)OC)N 10241 [0,1,0,0,0,0|1,0,1]=3 18 B6R0.3 CCC(C(=N)[O-])N 8499 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.3 COC(=O)C(F)F 9880 [0,1,0,0,0,0|2,0,1]=4 20 B6R1.2 C1=C(NN=C1)N 5250 [0,0,0,1,0,0|3,0,0]=4 21 B6R1.2 C1=CON=C1N 6722 [0,0,0,1,0,0|3,0,0]=4 22 B6R1.2 C1=CSC(=C1)Br 5377 [0,0,0,1,0,0|2,0,1]=4 23 B6R1.2 C1=CSC(=C1)Cl 9477 [0,0,0,1,0,0|2,0,1]=4 24 B6R1.2 C1=CSC(=C1)I 9486 [0,0,0,1,0,0|2,0,1]=4 25 B6R1.2 C1=CSC=C1Cl 9478 [0,0,0,1,0,0|2,0,1]=4 26 B6R1.2 C1CC(=O)C=C1 9804 [0,0,0,1,0,0|0,0,0]=1 27 B6R1.2 C1CC(=O)NC1 P0006 [0,0,0,1,0,0|1,0,1]=3 28 B6R1.2 C1CC(=O)OC1 8838 [0,0,0,1,0,0|1,0,1]=3 29 B6R1.2 C1CCC(=O)C1 9600 [0,0,0,1,0,0|0,0,2]=3 30 B6R1.2 C1CNC(=O)N1 6785 [0,0,0,1,0,0|2,0,1]=4 31 B6R1.2 CC1=CC=CS1 8742 [0,0,0,1,0,0|2,0,1]=4 32 B6R1.2 CC1=CC=NN1 8083 [0,0,0,1,0,0|3,0,0]=4 33 B6R1.2 Cc1cccs1 M0049 [0,0,0,1,0,0|2,0,1]=4 34 B3R0.2 C(=O)(O)O 5809 [2,0,0,0,0,0|2,0,0]=4 35 B3R0.2 C(=O)([O-])[O-] 8816 [2,0,0,0,0,0|2,0,0]=4 36 B3R0.2 CS(=O)O 5013 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.1 C(C#N)C(=O)N 6851 [1,1,0,0,0,0|1,0,1]=4 38 B5R0.4 C[Si](C=C)(Cl)Cl 5914 [1,1,0,0,0,0|1,1,0]=4 39 B5R0.5 CC(=O)C(F)F 6617 [1,1,0,0,0,0|1,0,1]=4 40 B5R0.5 C[C@@H](C(=O)O)N 5042 [1,1,0,0,0,0|1,0,0]=3 41 B5R0.5 C[C@@H](C(=O)O)N 5087 [1,1,0,0,0,0|1,0,0]=3 42 B7R0.2 C[C@H](CC(=O)OC)O 6807 [0,2,0,0,0,0|1,0,1]=4 43 B7R0.3 COC(=O)CCCBr 9868 [0,2,0,0,0,0|1,0,1]=4 44 B7R0.3 COC(=O)CCCN 8415 [0,2,0,0,0,0|1,0,1]=4 45 B7R0.5 C(CCl)C(=C(F)F)F 10393 [0,2,0,0,0,0|2,0,0]=4 46 B7R0.5 CCOC(=O)C(F)I 8354 [0,2,0,0,0,0|1,0,1]=4 47 B7R0.5 CCOC(=O)[C@H](C)O 9449 [0,2,0,0,0,0|0,0,2]=4 48 B7R0.7 CCOC(=O)CCN 8696 [0,2,0,0,0,0|0,0,2]=4 49 B7R0.10 COC(=O)C(=C)CO 8095 [0,2,0,0,0,0|1,0,0]=3 50 B7R0.14 CC(C)(C)C(=O)CCl 10645 [0,2,0,0,0,0|1,0,1]=4 51 B7R0.16 CN(C)C(=O)C(=O)O 8405 [0,2,0,0,0,0|2,0,0]=4 52 B5R1.2 C1CC(=O)C1 5717 [1,0,0,1,0,0|0,0,1]=3 53 B5R1.1 C1=CNN=C1 9931 [1,0,0,1,0,0|2,0,0]=4 54 B5R1.1 C1=CON=C1 6747 [1,0,0,1,0,0|2,0,0]=4 55 B5R1.1 c1c[nH]nc1 P0008 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.1 C1=C(N=CS1)CCl 8519 [0,1,0,1,0,0|2,0,0]=4 57 B7R1.1 C1=CSC(=C1)CN 6832 [0,1,0,1,0,0|1,1,0]=4 58 B7R1.1 CCN1C=CC=N1 8885 [0,1,0,1,0,0|2,0,0]=4 59 B7R1.1 c1cc(oc1)C=O F0018 [0,1,0,1,0,0|1,0,1]=4 60 B7R1.1 c1cc(oc1)CN F0590 [0,1,0,1,0,0|1,0,1]=4 61 B7R1.1 c1cc(sc1)C=O T0002 [0,1,0,1,0,0|1,0,1]=4 62 B7R1.1 o1c(ccc1)CN F0591 [0,1,0,1,0,0|1,0,1]=4 63 B7R1.2 C1C(=O)NC(=O)S1 9422 [0,1,0,1,0,0|2,0,0]=4 64 B7R1.2 C1C(=O)NC(=S)N1 8467 [0,1,0,1,0,0|2,0,0]=4 65 B7R1.2 C1C(=O)NC(=S)S1 10130 [0,1,0,1,0,0|2,0,0]=4 66 B7R1.2 C1CC(=O)CC1=O 5093 [0,1,0,1,0,0|0,0,1]=3 67 B7R1.2 CC1=CC(=O)NO1 9631 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.2 CC1=CC=C(S1)Br 6601 [0,1,0,1,0,0|1,0,1]=4 69 B7R1.2 CN1C=CC(=N1)N 6616 [0,1,0,1,0,0|2,0,0]=4 70 B7R1.2 CN1C=CC(=N1)N 9450 [0,1,0,1,0,0|2,0,0]=4 71 B7R1.3 C1CC=CC(C1)Br 8970 [0,1,0,1,0,0|1,0,1]=4 72 B7R1.3 C1CCC(=O)CC1 5327 [0,1,0,1,0,0|0,0,2]=4 73 B7R1.3 C1CNC(=O)CN1 8468 [0,1,0,1,0,0|1,0,1]=4 74 B7R1.3 C1CNCCC1=O 10646 [0,1,0,1,0,0|0,0,2]=4 75 B7R1.3 C1CNCCC1=O 8608 [0,1,0,1,0,0|0,0,2]=4 76 B7R1.3 C1COCCC1=O 9746 [0,1,0,1,0,0|0,0,2]=4 77 B7R1.4 C1COC(=O)C1Br 8284 [0,1,0,1,0,0|1,0,1]=4 78 B7R1.4 CC1=C(SC=C1)Br 5664 [0,1,0,1,0,0|1,0,1]=4 79 B7R1.4 CC1=CC=NN1C 5243 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.4 CC1C(=O)CCO1 10277 [0,1,0,1,0,0|0,0,2]=4 81 B7R1.4 CN1CCCC1=O 5092 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.4 CN1CCCC1=O M0011 [0,1,0,1,0,0|1,0,1]=4