0 B13R1.42 C/C=C/C(=O)NCc1ccccc1 WXVL_AK00502SB0340 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.42 C/C=C/C(=O)NCc1ccccc1 WXVL_AK00502SB0340 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.42 CC#CC(=O)NCc1ccccc1 WXVL_AK00502SB1240 [0,0,0,0,0,0|2,0,2]=4 3 B13R1.42 CC#CC(=O)NCc1ccccc1 WXVL_AK00502SB1240 [0,0,0,0,0,0|2,0,2]=4 4 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [0,0,0,0,0,0|2,0,1]=3 5 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [0,0,0,0,0,0|2,0,1]=3 6 B13R1.42 CCCC(=O)NCc1ccccn1 WXVL_AK0018SB0073 [0,0,0,0,0,0|3,0,1]=4 7 B13R1.42 CCCC(=O)NCc1ccccn1 WXVL_AK0018SB0073 [0,0,0,0,0,0|3,0,1]=4 8 B13R1.42 CCCC(=O)NCc1cccnc1 WXVL_AK0020SB0073 [0,0,0,0,0,0|3,0,1]=4 9 B13R1.42 CCCC(=O)NCc1cccnc1 WXVL_AK0020SB0073 [0,0,0,0,0,0|3,0,1]=4 10 B13R1.42 CCCC(=O)NCc1ccncc1 WXVL_AK0021SB0073 [0,0,0,0,0,0|3,0,1]=4 11 B13R1.42 CCCC(=O)NCc1ccncc1 WXVL_AK0021SB0073 [0,0,0,0,0,0|3,0,1]=4 12 B13R1.42 CCNC(=O)/C=C/c1ccccc1 WXVL_AK00476SB0115 [0,0,0,0,0,0|1,0,0]=1 13 B13R1.42 CCNC(=O)/C=C/c1ccccc1 WXVL_AK00476SB0115 [0,0,0,0,0,0|1,0,0]=1 14 B13R1.42 CCNC(=O)/C=C/c1cccnc1 WXVL_AK00476SA0193 [0,0,0,0,0,0|2,0,0]=2 15 B13R1.42 CCNC(=O)/C=C/c1cccnc1 WXVL_AK00476SA0193 [0,0,0,0,0,0|2,0,0]=2 16 B13R1.42 CCNC(=O)/C=C/c1cnccn1 WXVL_AK00476SA2885 [0,0,0,0,0,0|3,0,0]=3 17 B13R1.42 CCNC(=O)/C=C/c1cnccn1 WXVL_AK00476SA2885 [0,0,0,0,0,0|3,0,0]=3 18 B13R1.42 CCNC(=O)C#Cc1ccccc1 WXVL_AK00476SB0114 [0,0,0,0,0,0|1,0,2]=3 19 B13R1.42 CCNC(=O)C#Cc1ccccc1 WXVL_AK00476SB0114 [0,0,0,0,0,0|1,0,2]=3 20 B13R1.42 CCNC(=O)CCc1ccccc1 WXVL_AK00476SB0067 [0,0,0,0,0,0|1,0,2]=3 21 B13R1.42 CCNC(=O)CCc1ccccc1 WXVL_AK00476SB0067 [0,0,0,0,0,0|1,0,2]=3 22 B13R1.42 CCNC(=O)CCc1ccccn1 WXVL_AK00476SA0316 [0,0,0,0,0,0|2,0,2]=4 23 B13R1.42 CCNC(=O)CCc1ccccn1 WXVL_AK00476SA0316 [0,0,0,0,0,0|2,0,2]=4 24 B13R1.42 CCNC(=O)CCc1cccnc1 WXVL_AK00476SA0031 [0,0,0,0,0,0|2,0,2]=4 25 B13R1.42 CCNC(=O)CCc1cccnc1 WXVL_AK00476SA0031 [0,0,0,0,0,0|2,0,2]=4 26 B13R1.42 CCNC(=O)COc1ccccc1 WXVL_AK00476SB0086 [0,0,0,0,0,0|2,0,1]=3 27 B13R1.42 CCNC(=O)COc1ccccc1 WXVL_AK00476SB0086 [0,0,0,0,0,0|2,0,1]=3 28 B13R1.42 CCNC(=O)COc1cccnc1 WXVL_AK00476SA0051 [0,0,0,0,0,0|3,0,1]=4 29 B13R1.42 CCNC(=O)COc1cccnc1 WXVL_AK00476SA0051 [0,0,0,0,0,0|3,0,1]=4 30 B13R1.42 CCNC(=O)CSc1ccccc1 WXVL_AK00476SB0113 [0,0,0,0,0,0|2,0,1]=3 31 B13R1.42 CCNC(=O)CSc1ccccc1 WXVL_AK00476SB0113 [0,0,0,0,0,0|2,0,1]=3 32 B13R1.42 CCNC(=O)CSc1ccncc1 WXVL_AK00476SA0055 [0,0,0,0,0,0|3,0,1]=4 33 B13R1.42 CCNC(=O)CSc1ccncc1 WXVL_AK00476SA0055 [0,0,0,0,0,0|3,0,1]=4 34 B13R1.42 COCC(=O)NCc1ccccc1 WXVL_AK00502SB0090 [0,0,0,0,0,0|3,0,1]=4 35 B13R1.42 COCC(=O)NCc1ccccc1 WXVL_AK00502SB0090 [0,0,0,0,0,0|3,0,1]=4 36 B13R1.42 CSCC(=O)NCc1ccccc1 WXVL_AK00502SB1267 [0,0,0,0,0,0|3,0,1]=4 37 B13R1.42 CSCC(=O)NCc1ccccc1 WXVL_AK00502SB1267 [0,0,0,0,0,0|3,0,1]=4 38 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [1,0,0,0,0,0|1,0,1]=3 39 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [1,0,0,0,0,0|1,0,1]=3 40 B12R1.27 CCC(=O)NCc1ccccn1 WXVL_AK0018SB0064 [1,0,0,0,0,0|2,0,1]=4 41 B12R1.27 CCC(=O)NCc1ccccn1 WXVL_AK0018SB0064 [1,0,0,0,0,0|2,0,1]=4 42 B12R1.27 CCC(=O)NCc1cccnc1 WXVL_AK0020SB0064 [1,0,0,0,0,0|2,0,1]=4 43 B12R1.27 CCC(=O)NCc1cccnc1 WXVL_AK0020SB0064 [1,0,0,0,0,0|2,0,1]=4 44 B12R1.27 CCC(=O)NCc1ccncc1 WXVL_AK0021SB0064 [1,0,0,0,0,0|2,0,1]=4 45 B12R1.27 CCC(=O)NCc1ccncc1 WXVL_AK0021SB0064 [1,0,0,0,0,0|2,0,1]=4 46 B12R1.27 CNC(=O)/C=C/c1ccccc1 WXVL_AK00442SB0115 [1,0,0,0,0,0|1,0,0]=2 47 B12R1.27 CNC(=O)/C=C/c1ccccc1 WXVL_AK00442SB0115 [1,0,0,0,0,0|1,0,0]=2 48 B12R1.27 CNC(=O)/C=C/c1cccnc1 WXVL_AK00442SA0193 [1,0,0,0,0,0|2,0,0]=3 49 B12R1.27 CNC(=O)/C=C/c1cccnc1 WXVL_AK00442SA0193 [1,0,0,0,0,0|2,0,0]=3 50 B12R1.27 CNC(=O)/C=C/c1cnccn1 WXVL_AK00442SA2885 [1,0,0,0,0,0|3,0,0]=4 51 B12R1.27 CNC(=O)/C=C/c1cnccn1 WXVL_AK00442SA2885 [1,0,0,0,0,0|3,0,0]=4 52 B12R1.27 CNC(=O)C#Cc1ccccc1 WXVL_AK00442SB0114 [1,0,0,0,0,0|1,0,2]=4 53 B12R1.27 CNC(=O)C#Cc1ccccc1 WXVL_AK00442SB0114 [1,0,0,0,0,0|1,0,2]=4 54 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [1,0,0,0,0,0|1,0,2]=4 55 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [1,0,0,0,0,0|1,0,2]=4 56 B12R1.27 CNC(=O)COc1ccccc1 WXVL_AK00442SB0086 [1,0,0,0,0,0|2,0,1]=4 57 B12R1.27 CNC(=O)COc1ccccc1 WXVL_AK00442SB0086 [1,0,0,0,0,0|2,0,1]=4 58 B12R1.27 CNC(=O)CSc1ccccc1 WXVL_AK00442SB0113 [1,0,0,0,0,0|2,0,1]=4 59 B12R1.27 CNC(=O)CSc1ccccc1 WXVL_AK00442SB0113 [1,0,0,0,0,0|2,0,1]=4 60 B12R1.27 O=C(CO)NCc1ccccc1 WXVL_AK00502SB2706 [1,0,0,0,0,0|2,0,1]=4 61 B12R1.27 O=C(CO)NCc1ccccc1 WXVL_AK00502SB2706 [1,0,0,0,0,0|2,0,1]=4 62 B14R1.29 CCNC(=O)CC(C)c1ccccc1 WXVL_AK00476SB0419 [0,1,0,0,0,0|1,0,2]=4 63 B14R1.29 CCNC(=O)CC(C)c1ccccc1 WXVL_AK00476SB0419 [0,1,0,0,0,0|1,0,2]=4 64 B14R1.29 CCNC(=O)CC(O)c1ccccc1 WXVL_AK00476SB2325 [0,1,0,0,0,0|1,0,2]=4 65 B14R1.29 CCNC(=O)CC(O)c1ccccc1 WXVL_AK00476SB2325 [0,1,0,0,0,0|1,0,2]=4 66 B14R1.29 CCNC(=O)NC(=O)c1ccccc1 WXVL_AK00476YV0027 [0,1,0,0,0,0|2,0,0]=3 67 B14R1.29 CCNC(=O)NC(=O)c1ccccc1 WXVL_AK00476YV0027 [0,1,0,0,0,0|2,0,0]=3 68 B14R1.29 CCNC(=O)N[C@@H](C)c1ccccc1 WXVL_AK00476YV0029 [0,1,0,0,0,0|2,0,1]=4 69 B14R1.29 CCNC(=O)N[C@@H](C)c1ccccc1 WXVL_AK00476YV0029 [0,1,0,0,0,0|2,0,1]=4 70 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 WXVL_AK00476YV0061 [0,1,0,0,0,0|2,0,1]=4 71 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 WXVL_AK00476YV0061 [0,1,0,0,0,0|2,0,1]=4 72 B14R1.32 CCCC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0073 [0,1,0,0,0,0|2,0,1]=4 73 B14R1.32 CCCC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0073 [0,1,0,0,0,0|2,0,1]=4 74 B14R1.32 CCCC(=O)NCc1cccc(c1)C WXVL_AK0045SB0073 [0,1,0,0,0,0|2,0,1]=4 75 B14R1.32 CCCC(=O)NCc1cccc(c1)C WXVL_AK0045SB0073 [0,1,0,0,0,0|2,0,1]=4 76 B14R1.32 CCCC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0073 [0,1,0,0,0,0|2,0,1]=4 77 B14R1.32 CCCC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0073 [0,1,0,0,0,0|2,0,1]=4 78 B14R1.32 CCCC(=O)NCc1cccc(c1)F WXVL_AK0041SB0073 [0,1,0,0,0,0|2,0,1]=4 79 B14R1.32 CCCC(=O)NCc1cccc(c1)F WXVL_AK0041SB0073 [0,1,0,0,0,0|2,0,1]=4 80 B14R1.32 CCCC(=O)NCc1cccc(c1)I WXVL_AK1572SB0073 [0,1,0,0,0,0|2,0,1]=4 81 B14R1.32 CCCC(=O)NCc1cccc(c1)I WXVL_AK1572SB0073 [0,1,0,0,0,0|2,0,1]=4 82 B14R1.32 CCCC(=O)NCc1cccc(c1)O WXVL_AK0974SB0073 [0,1,0,0,0,0|2,0,1]=4 83 B14R1.32 CCCC(=O)NCc1cccc(c1)O WXVL_AK0974SB0073 [0,1,0,0,0,0|2,0,1]=4 84 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00476SB1601 [0,1,0,0,0,0|1,0,0]=2 85 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00476SB1601 [0,1,0,0,0,0|1,0,0]=2 86 B14R1.32 CCNC(=O)C=Cc1cccc(c1)O WXVL_AK00476SB0417 [0,1,0,0,0,0|1,0,0]=2 87 B14R1.32 CCNC(=O)C=Cc1cccc(c1)O WXVL_AK00476SB0417 [0,1,0,0,0,0|1,0,0]=2 88 B14R1.32 CCNC(=O)CCc1cccc(c1)Br WXVL_AK00476SB0278 [0,1,0,0,0,0|1,0,2]=4 89 B14R1.32 CCNC(=O)CCc1cccc(c1)Br WXVL_AK00476SB0278 [0,1,0,0,0,0|1,0,2]=4 90 B14R1.32 CCNC(=O)CCc1cccc(c1)C WXVL_AK00476SB1394 [0,1,0,0,0,0|1,0,2]=4 91 B14R1.32 CCNC(=O)CCc1cccc(c1)C WXVL_AK00476SB1394 [0,1,0,0,0,0|1,0,2]=4 92 B14R1.32 CCNC(=O)CCc1cccc(c1)O WXVL_AK00476SB3088 [0,1,0,0,0,0|1,0,2]=4 93 B14R1.32 CCNC(=O)CCc1cccc(c1)O WXVL_AK00476SB3088 [0,1,0,0,0,0|1,0,2]=4 94 B14R1.32 CCNC(=O)COc1cccc(c1)Cl WXVL_AK00476SB0493 [0,1,0,0,0,0|2,0,1]=4 95 B14R1.32 CCNC(=O)COc1cccc(c1)Cl WXVL_AK00476SB0493 [0,1,0,0,0,0|2,0,1]=4 96 B14R1.32 CCNC(=O)NCc1cccc(c1)C WXVL_AK00476YV0178 [0,1,0,0,0,0|2,0,1]=4 97 B14R1.32 CCNC(=O)NCc1cccc(c1)C WXVL_AK00476YV0178 [0,1,0,0,0,0|2,0,1]=4 98 B14R1.32 CCNC(=O)NCc1cccc(c1)F WXVL_AK00476YV0073 [0,1,0,0,0,0|2,0,1]=4 99 B14R1.32 CCNC(=O)NCc1cccc(c1)F WXVL_AK00476YV0073 [0,1,0,0,0,0|2,0,1]=4 100 B14R1.60 C=C(Cc1ccccc1)C(=O)NCC WXVL_AK00476SB0413 [0,1,0,0,0,0|1,0,1]=3 101 B14R1.60 C=C(Cc1ccccc1)C(=O)NCC WXVL_AK00476SB0413 [0,1,0,0,0,0|1,0,1]=3 102 B14R1.60 CC/C=C(\C)/C(=O)Nc1ccccc1 WXVL_AG00183SB0037 [0,1,0,0,0,0|3,0,0]=4 103 B14R1.60 CC/C=C(\C)/C(=O)Nc1ccccc1 WXVL_AG00183SB0037 [0,1,0,0,0,0|3,0,0]=4 104 B14R1.60 CCCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0073 [0,1,0,0,0,0|2,0,1]=4 105 B14R1.60 CCCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0073 [0,1,0,0,0,0|2,0,1]=4 106 B14R1.60 CCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00476SA1933 [0,1,0,0,0,0|2,0,0]=3 107 B14R1.60 CCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00476SA1933 [0,1,0,0,0,0|2,0,0]=3 108 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 WXVL_AK00476SB3205 [0,1,0,0,0,0|1,0,2]=4 109 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 WXVL_AK00476SB3205 [0,1,0,0,0,0|1,0,2]=4 110 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 WXVL_AK00476SB0426 [0,1,0,0,0,0|2,0,1]=4 111 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 WXVL_AK00476SB0426 [0,1,0,0,0,0|2,0,1]=4 112 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 WXVL_AK00476SB9992 [0,1,0,0,0,0|2,0,1]=4 113 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 WXVL_AK00476SB9992 [0,1,0,0,0,0|2,0,1]=4 114 B14R1.60 CCNC(=O)[C@@H](C)Oc1ccccc1 WXVL_AK00476SB5803 [0,1,0,0,0,0|2,0,1]=4 115 B14R1.60 CCNC(=O)[C@@H](C)Oc1ccccc1 WXVL_AK00476SB5803 [0,1,0,0,0,0|2,0,1]=4 116 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB4144 [0,1,0,0,0,0|1,0,0]=2 117 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB4144 [0,1,0,0,0,0|1,0,0]=2 118 B14R1.60 CCOC(=O)C(=O)Nc1ccccn1 WXVL_AF00298SB4144 [0,1,0,0,0,0|2,0,0]=3 119 B14R1.60 CCOC(=O)C(=O)Nc1ccccn1 WXVL_AF00298SB4144 [0,1,0,0,0,0|2,0,0]=3 120 B14R1.60 CCOC(=O)C(=O)Nc1cccnn1 WXVL_AF0151SB4144 [0,1,0,0,0,0|3,0,0]=4 121 B14R1.60 CCOC(=O)C(=O)Nc1cccnn1 WXVL_AF0151SB4144 [0,1,0,0,0,0|3,0,0]=4 122 B14R1.60 CCOC(=O)C(=O)Nc1ccncn1 WXVL_AF0139SB4144 [0,1,0,0,0,0|3,0,0]=4 123 B14R1.60 CCOC(=O)C(=O)Nc1ccncn1 WXVL_AF0139SB4144 [0,1,0,0,0,0|3,0,0]=4 124 B14R1.60 CCOC(=O)C(=O)Nc1ccnnc1 WXVL_AF0624SB4144 [0,1,0,0,0,0|3,0,0]=4 125 B14R1.60 CCOC(=O)C(=O)Nc1ccnnc1 WXVL_AF0624SB4144 [0,1,0,0,0,0|3,0,0]=4 126 B14R1.60 CCOC(=O)C(=O)Nc1cnccn1 WXVL_AF0120SB4144 [0,1,0,0,0,0|3,0,0]=4 127 B14R1.60 CCOC(=O)C(=O)Nc1cnccn1 WXVL_AF0120SB4144 [0,1,0,0,0,0|3,0,0]=4 128 B14R1.60 CCOC(=O)C(=O)Nc1cncnc1 WXVL_AF0085SB4144 [0,1,0,0,0,0|3,0,0]=4 129 B14R1.60 CCOC(=O)C(=O)Nc1cncnc1 WXVL_AF0085SB4144 [0,1,0,0,0,0|3,0,0]=4 130 B14R1.156 C=CCNC(=O)/C=C/c1ccccc1 WXVL_AK00561SB0115 [0,1,0,0,0,0|1,0,1]=3 131 B14R1.156 C=CCNC(=O)/C=C/c1ccccc1 WXVL_AK00561SB0115 [0,1,0,0,0,0|1,0,1]=3 132 B14R1.156 C=CCNC(=O)/C=C/c1cccnc1 WXVL_AK00561SA0193 [0,1,0,0,0,0|2,0,1]=4 133 B14R1.156 C=CCNC(=O)/C=C/c1cccnc1 WXVL_AK00561SA0193 [0,1,0,0,0,0|2,0,1]=4 134 B14R1.156 CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00504SB0115 [0,1,0,0,0,0|1,0,0]=2 135 B14R1.156 CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00504SB0115 [0,1,0,0,0,0|1,0,0]=2 136 B14R1.156 CCCNC(=O)/C=C/c1cccnc1 WXVL_AK00504SA0193 [0,1,0,0,0,0|2,0,0]=3 137 B14R1.156 CCCNC(=O)/C=C/c1cccnc1 WXVL_AK00504SA0193 [0,1,0,0,0,0|2,0,0]=3 138 B14R1.156 CCCNC(=O)/C=C/c1cnccn1 WXVL_AK00504SA2885 [0,1,0,0,0,0|3,0,0]=4 139 B14R1.156 CCCNC(=O)/C=C/c1cnccn1 WXVL_AK00504SA2885 [0,1,0,0,0,0|3,0,0]=4 140 B14R1.156 CCCNC(=O)C#Cc1ccccc1 WXVL_AK00504SB0114 [0,1,0,0,0,0|1,0,2]=4 141 B14R1.156 CCCNC(=O)C#Cc1ccccc1 WXVL_AK00504SB0114 [0,1,0,0,0,0|1,0,2]=4 142 B14R1.156 CCCNC(=O)CCc1ccccc1 WXVL_AK00504SB0067 [0,1,0,0,0,0|1,0,2]=4 143 B14R1.156 CCCNC(=O)CCc1ccccc1 WXVL_AK00504SB0067 [0,1,0,0,0,0|1,0,2]=4 144 B14R1.156 CCCNC(=O)COc1ccccc1 WXVL_AK00504SB0086 [0,1,0,0,0,0|2,0,1]=4 145 B14R1.156 CCCNC(=O)COc1ccccc1 WXVL_AK00504SB0086 [0,1,0,0,0,0|2,0,1]=4 146 B14R1.156 CCCNC(=O)CSc1ccccc1 WXVL_AK00504SB0113 [0,1,0,0,0,0|2,0,1]=4 147 B14R1.156 CCCNC(=O)CSc1ccccc1 WXVL_AK00504SB0113 [0,1,0,0,0,0|2,0,1]=4 148 B14R1.156 CCOCC(=O)NCc1ccccc1 WXVL_AK00502SB0091 [0,1,0,0,0,0|1,0,1]=3 149 B14R1.156 CCOCC(=O)NCc1ccccc1 WXVL_AK00502SB0091 [0,1,0,0,0,0|1,0,1]=3 150 B14R1.156 CCOCC(=O)NCc1ccccn1 WXVL_AK0018SB0091 [0,1,0,0,0,0|2,0,1]=4 151 B14R1.156 CCOCC(=O)NCc1ccccn1 WXVL_AK0018SB0091 [0,1,0,0,0,0|2,0,1]=4 152 B14R1.156 CCOCC(=O)NCc1cccnc1 WXVL_AK0020SB0091 [0,1,0,0,0,0|2,0,1]=4 153 B14R1.156 CCOCC(=O)NCc1cccnc1 WXVL_AK0020SB0091 [0,1,0,0,0,0|2,0,1]=4 154 B14R1.156 CCOCC(=O)NCc1ccncc1 WXVL_AK0021SB0091 [0,1,0,0,0,0|2,0,1]=4 155 B14R1.156 CCOCC(=O)NCc1ccncc1 WXVL_AK0021SB0091 [0,1,0,0,0,0|2,0,1]=4 156 B14R1.156 CCSCC(=O)NCc1ccccc1 WXVL_AK00502SB0002 [0,1,0,0,0,0|1,1,1]=4 157 B14R1.156 CCSCC(=O)NCc1ccccc1 WXVL_AK00502SB0002 [0,1,0,0,0,0|1,1,1]=4 158 B14R1.156 COCCC(=O)NCc1ccccc1 WXVL_AK00502SB0156 [0,1,0,0,0,0|2,0,1]=4 159 B14R1.156 COCCC(=O)NCc1ccccc1 WXVL_AK00502SB0156 [0,1,0,0,0,0|2,0,1]=4 160 B14R1.156 CSCCC(=O)NCc1ccccc1 WXVL_AK00502SB0361 [0,1,0,0,0,0|2,0,1]=4 161 B14R1.156 CSCCC(=O)NCc1ccccc1 WXVL_AK00502SB0361 [0,1,0,0,0,0|2,0,1]=4 162 B14R1.156 N#CCNC(=O)/C=C/c1ccccc1 WXVL_AK0683SB0115 [0,1,0,0,0,0|1,0,1]=3 163 B14R1.156 N#CCNC(=O)/C=C/c1ccccc1 WXVL_AK0683SB0115 [0,1,0,0,0,0|1,0,1]=3 164 B14R1.156 N#CCNC(=O)/C=C/c1cccnc1 WXVL_AK0683SA0193 [0,1,0,0,0,0|2,0,1]=4 165 B14R1.156 N#CCNC(=O)/C=C/c1cccnc1 WXVL_AK0683SA0193 [0,1,0,0,0,0|2,0,1]=4 166 B14R1.156 O=C(/C=C/c1ccccc1)NCCF WXVL_AK00466SB0115 [0,1,0,0,0,0|1,0,0]=2 167 B14R1.156 O=C(/C=C/c1ccccc1)NCCF WXVL_AK00466SB0115 [0,1,0,0,0,0|1,0,0]=2 168 B14R1.156 O=C(/C=C/c1cccnc1)NCCF WXVL_AK00466SA0193 [0,1,0,0,0,0|2,0,0]=3 169 B14R1.156 O=C(/C=C/c1cccnc1)NCCF WXVL_AK00466SA0193 [0,1,0,0,0,0|2,0,0]=3 170 B14R1.156 O=C(/C=C/c1cnccn1)NCCF WXVL_AK00466SA2885 [0,1,0,0,0,0|3,0,0]=4 171 B14R1.156 O=C(/C=C/c1cnccn1)NCCF WXVL_AK00466SA2885 [0,1,0,0,0,0|3,0,0]=4 172 B14R1.156 O=C(C#Cc1ccccc1)NCCF WXVL_AK00466SB0114 [0,1,0,0,0,0|1,0,2]=4 173 B14R1.156 O=C(C#Cc1ccccc1)NCCF WXVL_AK00466SB0114 [0,1,0,0,0,0|1,0,2]=4 174 B14R1.156 O=C(CCc1ccccc1)NCCF WXVL_AK00466SB0067 [0,1,0,0,0,0|1,0,2]=4 175 B14R1.156 O=C(CCc1ccccc1)NCCF WXVL_AK00466SB0067 [0,1,0,0,0,0|1,0,2]=4 176 B14R1.156 O=C(COc1ccccc1)NCCF WXVL_AK00466SB0086 [0,1,0,0,0,0|2,0,1]=4 177 B14R1.156 O=C(COc1ccccc1)NCCF WXVL_AK00466SB0086 [0,1,0,0,0,0|2,0,1]=4 178 B14R1.156 O=C(CSc1ccccc1)NCCF WXVL_AK00466SB0113 [0,1,0,0,0,0|2,0,1]=4 179 B14R1.156 O=C(CSc1ccccc1)NCCF WXVL_AK00466SB0113 [0,1,0,0,0,0|2,0,1]=4 180 B14R1.156 O=C(NCCCl)NCc1ccccc1 WXVL_AK00502YV0092 [0,1,0,0,0,0|2,0,1]=4 181 B14R1.156 O=C(NCCCl)NCc1ccccc1 WXVL_AK00502YV0092 [0,1,0,0,0,0|2,0,1]=4 182 B14R1.502 CCCC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0073 [0,1,0,0,0,0|2,0,1]=4 183 B14R1.502 CCCC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0073 [0,1,0,0,0,0|2,0,1]=4 184 B14R1.502 CCCC(=O)NCc1ccc(cc1)C WXVL_AK0048SB0073 [0,1,0,0,0,0|2,0,1]=4 185 B14R1.502 CCCC(=O)NCc1ccc(cc1)C WXVL_AK0048SB0073 [0,1,0,0,0,0|2,0,1]=4 186 B14R1.502 CCCC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0073 [0,1,0,0,0,0|2,0,1]=4 187 B14R1.502 CCCC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0073 [0,1,0,0,0,0|2,0,1]=4 188 B14R1.502 CCCC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0073 [0,1,0,0,0,0|2,0,1]=4 189 B14R1.502 CCCC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0073 [0,1,0,0,0,0|2,0,1]=4 190 B14R1.502 CCCC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0073 [0,1,0,0,0,0|2,0,1]=4 191 B14R1.502 CCCC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0073 [0,1,0,0,0,0|2,0,1]=4 192 B14R1.502 CCCC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0073 [0,1,0,0,0,0|2,0,1]=4 193 B14R1.502 CCCC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0073 [0,1,0,0,0,0|2,0,1]=4 194 B14R1.502 CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00476SB0418 [0,1,0,0,0,0|1,0,0]=2 195 B14R1.502 CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00476SB0418 [0,1,0,0,0,0|1,0,0]=2 196 B14R1.502 CCNC(=O)C#Cc1ccc(cc1)Cl WXVL_AK00476SB3517 [0,1,0,0,0,0|1,0,2]=4 197 B14R1.502 CCNC(=O)C#Cc1ccc(cc1)Cl WXVL_AK00476SB3517 [0,1,0,0,0,0|1,0,2]=4 198 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00476SB1122 [0,1,0,0,0,0|1,0,0]=2 199 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00476SB1122 [0,1,0,0,0,0|1,0,0]=2 200 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00476SB0060 [0,1,0,0,0,0|1,0,0]=2 201 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00476SB0060 [0,1,0,0,0,0|1,0,0]=2 202 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00476SB0119 [0,1,0,0,0,0|1,0,0]=2 203 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00476SB0119 [0,1,0,0,0,0|1,0,0]=2 204 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00476SB1186 [0,1,0,0,0,0|1,0,0]=2 205 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00476SB1186 [0,1,0,0,0,0|1,0,0]=2 206 B14R1.502 CCNC(=O)CCc1ccc(cc1)Br WXVL_AK00476SB1166 [0,1,0,0,0,0|1,0,2]=4 207 B14R1.502 CCNC(=O)CCc1ccc(cc1)Br WXVL_AK00476SB1166 [0,1,0,0,0,0|1,0,2]=4 208 B14R1.502 CCNC(=O)CCc1ccc(cc1)C WXVL_AK00476SB0421 [0,1,0,0,0,0|1,0,2]=4 209 B14R1.502 CCNC(=O)CCc1ccc(cc1)C WXVL_AK00476SB0421 [0,1,0,0,0,0|1,0,2]=4 210 B14R1.502 CCNC(=O)CCc1ccc(cc1)F WXVL_AK00476SB1123 [0,1,0,0,0,0|1,0,2]=4 211 B14R1.502 CCNC(=O)CCc1ccc(cc1)F WXVL_AK00476SB1123 [0,1,0,0,0,0|1,0,2]=4 212 B14R1.502 CCNC(=O)CCc1ccc(cc1)O WXVL_AK00476SB2324 [0,1,0,0,0,0|1,0,2]=4 213 B14R1.502 CCNC(=O)CCc1ccc(cc1)O WXVL_AK00476SB2324 [0,1,0,0,0,0|1,0,2]=4 214 B14R1.502 CCNC(=O)COc1ccc(cc1)C WXVL_AK00476SB0138 [0,1,0,0,0,0|2,0,1]=4 215 B14R1.502 CCNC(=O)COc1ccc(cc1)C WXVL_AK00476SB0138 [0,1,0,0,0,0|2,0,1]=4 216 B14R1.502 CCNC(=O)COc1ccc(cc1)F WXVL_AK00476SB0088 [0,1,0,0,0,0|2,0,1]=4 217 B14R1.502 CCNC(=O)COc1ccc(cc1)F WXVL_AK00476SB0088 [0,1,0,0,0,0|2,0,1]=4 218 B14R1.502 CCNC(=O)COc1ccc(cc1)O WXVL_AK00476SB3388 [0,1,0,0,0,0|2,0,1]=4 219 B14R1.502 CCNC(=O)COc1ccc(cc1)O WXVL_AK00476SB3388 [0,1,0,0,0,0|2,0,1]=4 220 B14R1.502 CCNC(=O)CSc1ccc(cc1)C WXVL_AK00476SB0830 [0,1,0,0,0,0|2,0,1]=4 221 B14R1.502 CCNC(=O)CSc1ccc(cc1)C WXVL_AK00476SB0830 [0,1,0,0,0,0|2,0,1]=4 222 B14R1.502 CCNC(=O)NCc1ccc(cc1)C WXVL_AK00476YV0067 [0,1,0,0,0,0|2,0,1]=4 223 B14R1.502 CCNC(=O)NCc1ccc(cc1)C WXVL_AK00476YV0067 [0,1,0,0,0,0|2,0,1]=4 224 B14R1.598 CCCC(=O)NCc1ccccc1Br WXVL_AK1632SB0073 [0,1,0,0,0,0|2,0,1]=4 225 B14R1.598 CCCC(=O)NCc1ccccc1Br WXVL_AK1632SB0073 [0,1,0,0,0,0|2,0,1]=4 226 B14R1.598 CCCC(=O)NCc1ccccc1C WXVL_AK0040SB0073 [0,1,0,0,0,0|2,0,1]=4 227 B14R1.598 CCCC(=O)NCc1ccccc1C WXVL_AK0040SB0073 [0,1,0,0,0,0|2,0,1]=4 228 B14R1.598 CCCC(=O)NCc1ccccc1Cl WXVL_AK0038SB0073 [0,1,0,0,0,0|2,0,1]=4 229 B14R1.598 CCCC(=O)NCc1ccccc1Cl WXVL_AK0038SB0073 [0,1,0,0,0,0|2,0,1]=4 230 B14R1.598 CCCC(=O)NCc1ccccc1F WXVL_AK0037SB0073 [0,1,0,0,0,0|2,0,1]=4 231 B14R1.598 CCCC(=O)NCc1ccccc1F WXVL_AK0037SB0073 [0,1,0,0,0,0|2,0,1]=4 232 B14R1.598 CCCC(=O)NCc1ccccc1I WXVL_AK3923SB0073 [0,1,0,0,0,0|2,0,1]=4 233 B14R1.598 CCCC(=O)NCc1ccccc1I WXVL_AK3923SB0073 [0,1,0,0,0,0|2,0,1]=4 234 B14R1.598 CCCC(=O)NCc1ccccc1O WXVL_AK0963SB0073 [0,1,0,0,0,0|2,0,1]=4 235 B14R1.598 CCCC(=O)NCc1ccccc1O WXVL_AK0963SB0073 [0,1,0,0,0,0|2,0,1]=4 236 B14R1.598 CCNC(=O)C=Cc1ccccc1Br WXVL_AK00476SB3065 [0,1,0,0,0,0|1,0,0]=2 237 B14R1.598 CCNC(=O)C=Cc1ccccc1Br WXVL_AK00476SB3065 [0,1,0,0,0,0|1,0,0]=2 238 B14R1.598 CCNC(=O)CCc1ccccc1Br WXVL_AK00476SB1278 [0,1,0,0,0,0|1,0,2]=4 239 B14R1.598 CCNC(=O)CCc1ccccc1Br WXVL_AK00476SB1278 [0,1,0,0,0,0|1,0,2]=4 240 B14R1.598 CCNC(=O)CCc1ccccc1C WXVL_AK00476SB0422 [0,1,0,0,0,0|1,0,2]=4 241 B14R1.598 CCNC(=O)CCc1ccccc1C WXVL_AK00476SB0422 [0,1,0,0,0,0|1,0,2]=4 242 B14R1.598 CCNC(=O)CCc1ccccc1Cl WXVL_AK00476SB0140 [0,1,0,0,0,0|1,0,2]=4 243 B14R1.598 CCNC(=O)CCc1ccccc1Cl WXVL_AK00476SB0140 [0,1,0,0,0,0|1,0,2]=4 244 B14R1.598 CCNC(=O)CCc1ccccc1F WXVL_AK00476SB0008 [0,1,0,0,0,0|1,0,2]=4 245 B14R1.598 CCNC(=O)CCc1ccccc1F WXVL_AK00476SB0008 [0,1,0,0,0,0|1,0,2]=4 246 B14R1.598 CCNC(=O)COc1ccccc1C WXVL_AK00476SB0136 [0,1,0,0,0,0|2,0,1]=4 247 B14R1.598 CCNC(=O)COc1ccccc1C WXVL_AK00476SB0136 [0,1,0,0,0,0|2,0,1]=4 248 B14R1.598 CCNC(=O)COc1ccccc1F WXVL_AK00476SB0441 [0,1,0,0,0,0|2,0,1]=4 249 B14R1.598 CCNC(=O)COc1ccccc1F WXVL_AK00476SB0441 [0,1,0,0,0,0|2,0,1]=4 250 B14R1.756 CCC(=O)C(=O)NCc1ccccc1 WXVL_AK00502SB0344 [0,1,0,0,0,0|2,0,1]=4 251 B14R1.756 CCC(=O)C(=O)NCc1ccccc1 WXVL_AK00502SB0344 [0,1,0,0,0,0|2,0,1]=4 252 B14R1.756 CCC(C)C(=O)NCc1ccccc1 WXVL_AK00502SB0054 [0,1,0,0,0,0|2,0,1]=4 253 B14R1.756 CCC(C)C(=O)NCc1ccccc1 WXVL_AK00502SB0054 [0,1,0,0,0,0|2,0,1]=4 254 B14R1.756 CC[C@@H](C)C(=O)NCc1ccccc1 WXVL_AK00502SB00054 [0,1,0,0,0,0|2,0,1]=4 255 B14R1.756 CC[C@@H](C)C(=O)NCc1ccccc1 WXVL_AK00502SB00054 [0,1,0,0,0,0|2,0,1]=4 256 B14R1.756 CC[C@H](O)C(=O)NCc1ccccc1 WXVL_AK00502SB3573 [0,1,0,0,0,0|2,0,1]=4 257 B14R1.756 CC[C@H](O)C(=O)NCc1ccccc1 WXVL_AK00502SB3573 [0,1,0,0,0,0|2,0,1]=4 258 B14R1.818 CC(C)CC(=O)NCc1ccccc1 WXVL_AK00502SB0063 [0,1,0,0,0,0|2,0,1]=4 259 B14R1.818 CC(C)CC(=O)NCc1ccccc1 WXVL_AK00502SB0063 [0,1,0,0,0,0|2,0,1]=4 260 B14R1.818 CC(C)NC(=O)/C=C/c1ccccc1 WXVL_AK0030SB0115 [0,1,0,0,0,0|1,0,0]=2 261 B14R1.818 CC(C)NC(=O)/C=C/c1ccccc1 WXVL_AK0030SB0115 [0,1,0,0,0,0|1,0,0]=2 262 B14R1.818 CC(C)NC(=O)/C=C/c1cccnc1 WXVL_AK0030SA0193 [0,1,0,0,0,0|2,0,0]=3 263 B14R1.818 CC(C)NC(=O)/C=C/c1cccnc1 WXVL_AK0030SA0193 [0,1,0,0,0,0|2,0,0]=3 264 B14R1.818 CC(C)NC(=O)/C=C/c1cnccn1 WXVL_AK0030SA2885 [0,1,0,0,0,0|3,0,0]=4 265 B14R1.818 CC(C)NC(=O)/C=C/c1cnccn1 WXVL_AK0030SA2885 [0,1,0,0,0,0|3,0,0]=4 266 B14R1.818 CC(C)NC(=O)C#Cc1ccccc1 WXVL_AK0030SB0114 [0,1,0,0,0,0|1,0,2]=4 267 B14R1.818 CC(C)NC(=O)C#Cc1ccccc1 WXVL_AK0030SB0114 [0,1,0,0,0,0|1,0,2]=4 268 B14R1.818 CC(C)NC(=O)CCc1ccccc1 WXVL_AK0030SB0067 [0,1,0,0,0,0|1,0,2]=4 269 B14R1.818 CC(C)NC(=O)CCc1ccccc1 WXVL_AK0030SB0067 [0,1,0,0,0,0|1,0,2]=4 270 B14R1.818 CC(C)NC(=O)COc1ccccc1 WXVL_AK0030SB0086 [0,1,0,0,0,0|2,0,1]=4 271 B14R1.818 CC(C)NC(=O)COc1ccccc1 WXVL_AK0030SB0086 [0,1,0,0,0,0|2,0,1]=4 272 B14R1.818 CC(C)NC(=O)CSc1ccccc1 WXVL_AK0030SB0113 [0,1,0,0,0,0|2,0,1]=4 273 B14R1.818 CC(C)NC(=O)CSc1ccccc1 WXVL_AK0030SB0113 [0,1,0,0,0,0|2,0,1]=4 274 B14R1.818 CC(O)CC(=O)NCc1ccccc1 WXVL_AK00502SB3643 [0,1,0,0,0,0|2,0,1]=4 275 B14R1.818 CC(O)CC(=O)NCc1ccccc1 WXVL_AK00502SB3643 [0,1,0,0,0,0|2,0,1]=4 276 B14R1.6829 CCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00476HU0026 [0,1,0,0,0,0|2,0,0]=3 277 B14R1.6829 CCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00476HU0026 [0,1,0,0,0,0|2,0,0]=3 278 B12R0.101 C=CCNC(=O)/C=C/C(=O)OCC WXVL_AK00561SB0061 [0,0,1,0,0,0|2,0,1]=4 279 B12R0.101 C=CCNC(=O)/C=C/C(=O)OCC WXVL_AK00561SB0061 [0,0,1,0,0,0|2,0,1]=4 280 B14R2.112 CCNc1ncc2ccccc2n1 WXVL_AK00476LP0064 [0,0,0,1,0,0|3,0,0]=4 281 B14R2.112 CCNc1ncc2ccccc2n1 WXVL_AK00476LP0064 [0,0,0,1,0,0|3,0,0]=4 282 B14R2.598 Cc1cc(c(s1)C)c2ccccc2 WXVL_LR1593BT0919 [0,0,0,1,0,0|1,1,1]=4 283 B14R2.598 Cc1cc(c(s1)C)c2ccccc2 WXVL_LR1593BT1115 [0,0,0,1,0,0|1,1,1]=4 284 B14R2.598 Cc1cc(c(s1)C)c2ccccc2 WXVL_LR1593BT2957 [0,0,0,1,0,0|1,1,1]=4 285 B14R2.2899 O=C(NCc1ccccc1)C2CC2 WXVL_AK00502SB0038 [0,0,0,1,0,0|2,0,1]=4 286 B14R2.2899 O=C(NCc1ccccc1)C2CC2 WXVL_AK00502SB0038 [0,0,0,1,0,0|2,0,1]=4 287 B12R1.32 C/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB0340 [0,0,0,0,1,0|2,0,1]=4 288 B12R1.32 C/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB0340 [0,0,0,0,1,0|2,0,1]=4 289 B12R1.32 CC#CC(=O)Nc1ccccc1 WXVL_AG00183SB1240 [0,0,0,0,1,0|2,0,1]=4 290 B12R1.32 CC#CC(=O)Nc1ccccc1 WXVL_AG00183SB1240 [0,0,0,0,1,0|2,0,1]=4 291 B12R1.32 CCCC(=O)Nc1ccccc1 WXVL_AG00183SB0073 [0,0,0,0,1,0|2,0,0]=3 292 B12R1.32 CCCC(=O)Nc1ccccc1 WXVL_AG00183SB0073 [0,0,0,0,1,0|2,0,0]=3 293 B12R1.32 CCCC(=O)Nc1ccccn1 WXVL_AF00298SB0073 [0,0,0,0,1,0|3,0,0]=4 294 B12R1.32 CCCC(=O)Nc1ccccn1 WXVL_AF00298SB0073 [0,0,0,0,1,0|3,0,0]=4 295 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [0,0,0,0,1,0|1,0,1]=3 296 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [0,0,0,0,1,0|1,0,1]=3 297 B12R1.32 CCNC(=O)Cc1ccccn1 WXVL_AK00476SA0032 [0,0,0,0,1,0|2,0,1]=4 298 B12R1.32 CCNC(=O)Cc1ccccn1 WXVL_AK00476SA0032 [0,0,0,0,1,0|2,0,1]=4 299 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SA0029 [0,0,0,0,1,0|2,0,1]=4 300 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SA0029 [0,0,0,0,1,0|2,0,1]=4 301 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SB00049 [0,0,0,0,1,0|2,0,1]=4 302 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SB00049 [0,0,0,0,1,0|2,0,1]=4 303 B12R1.32 CCNC(=O)Cc1ccncc1 WXVL_AK00476SA00106 [0,0,0,0,1,0|2,0,1]=4 304 B12R1.32 CCNC(=O)Cc1ccncc1 WXVL_AK00476SA00106 [0,0,0,0,1,0|2,0,1]=4 305 B12R1.32 CCNC(=O)Nc1ccccn1 WXVL_AK00476YV0189 [0,0,0,0,1,0|3,0,0]=4 306 B12R1.32 CCNC(=O)Nc1ccccn1 WXVL_AK00476YV0189 [0,0,0,0,1,0|3,0,0]=4 307 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [0,0,0,0,1,0|3,0,0]=4 308 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [0,0,0,0,1,0|3,0,0]=4 309 B12R1.32 CSCC(=O)Nc1ccccc1 WXVL_AG00183SB1267 [0,0,0,0,1,0|3,0,0]=4 310 B12R1.32 CSCC(=O)Nc1ccccc1 WXVL_AG00183SB1267 [0,0,0,0,1,0|3,0,0]=4 311 B12R1.51 CCNC(=O)/C=C/c1c[nH]cn1 WXVL_AK00476SA0730 [0,0,0,0,1,0|3,0,0]=4 312 B12R1.51 CCNC(=O)/C=C/c1c[nH]cn1 WXVL_AK00476SA0730 [0,0,0,0,1,0|3,0,0]=4 313 B12R1.51 CCNC(=O)/C=C/c1ccco1 WXVL_AK00476SA0180 [0,0,0,0,1,0|2,0,0]=3 314 B12R1.51 CCNC(=O)/C=C/c1ccco1 WXVL_AK00476SA0180 [0,0,0,0,1,0|2,0,0]=3 315 B12R1.51 CCNC(=O)/C=C/c1cccs1 WXVL_AK00476SA0001 [0,0,0,0,1,0|2,0,0]=3 316 B12R1.51 CCNC(=O)/C=C/c1cccs1 WXVL_AK00476SA0001 [0,0,0,0,1,0|2,0,0]=3 317 B12R1.51 CCNC(=O)/C=C/c1ccoc1 WXVL_AK00476SA0047 [0,0,0,0,1,0|2,0,0]=3 318 B12R1.51 CCNC(=O)/C=C/c1ccoc1 WXVL_AK00476SA0047 [0,0,0,0,1,0|2,0,0]=3 319 B12R1.51 CCNC(=O)/C=C/c1ccsc1 WXVL_AK00476SA0251 [0,0,0,0,1,0|2,0,0]=3 320 B12R1.51 CCNC(=O)/C=C/c1ccsc1 WXVL_AK00476SA0251 [0,0,0,0,1,0|2,0,0]=3 321 B14R1.520 CCCC(=O)NCCc1ccccc1 WXVL_AK00498SB0073 [0,0,0,0,0,1|1,0,2]=4 322 B14R1.520 CCCC(=O)NCCc1ccccc1 WXVL_AK00498SB0073 [0,0,0,0,0,1|1,0,2]=4 323 B14R1.520 CCNC(=O)CCCc1ccccc1 WXVL_AK00476SB0121 [0,0,0,0,0,1|1,0,2]=4 324 B14R1.520 CCNC(=O)CCCc1ccccc1 WXVL_AK00476SB0121 [0,0,0,0,0,1|1,0,2]=4 325 B14R1.520 CCNC(=O)CCOc1ccccc1 WXVL_AK00476SB0066 [0,0,0,0,0,1|1,0,2]=4 326 B14R1.520 CCNC(=O)CCOc1ccccc1 WXVL_AK00476SB0066 [0,0,0,0,0,1|1,0,2]=4 327 B14R1.520 CCNC(=O)COCc1ccccc1 WXVL_AK00476SB0185 [0,0,0,0,0,1|1,0,2]=4 328 B14R1.520 CCNC(=O)COCc1ccccc1 WXVL_AK00476SB0185 [0,0,0,0,0,1|1,0,2]=4 329 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [2,0,0,0,0,0|1,0,1]=4 330 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [2,0,0,0,0,0|1,0,1]=4 331 B11R1.91 NC(=O)/C=C/c1ccccc1 WXVL_AK0084SB0115 [2,0,0,0,0,0|1,0,0]=3 332 B11R1.91 NC(=O)/C=C/c1ccccc1 WXVL_AK0084SB0115 [2,0,0,0,0,0|1,0,0]=3 333 B11R1.91 NC(=O)/C=C/c1cccnc1 WXVL_AK0084SA0193 [2,0,0,0,0,0|2,0,0]=4 334 B11R1.91 NC(=O)/C=C/c1cccnc1 WXVL_AK0084SA0193 [2,0,0,0,0,0|2,0,0]=4 335 B13R1.44 CCOCC(=O)Nc1ccccc1 WXVL_AG00183SB0091 [1,1,0,0,0,0|1,0,1]=4 336 B13R1.44 CCOCC(=O)Nc1ccccc1 WXVL_AG00183SB0091 [1,1,0,0,0,0|1,0,1]=4 337 B13R1.11 CNC(=O)NC(=O)c1ccccc1 WXVL_AK00442YV0027 [1,1,0,0,0,0|2,0,0]=4 338 B13R1.11 CNC(=O)NC(=O)c1ccccc1 WXVL_AK00442YV0027 [1,1,0,0,0,0|2,0,0]=4 339 B13R1.14 CCC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0064 [1,1,0,0,0,0|1,0,1]=4 340 B13R1.14 CCC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0064 [1,1,0,0,0,0|1,0,1]=4 341 B13R1.14 CCC(=O)NCc1ccc(cc1)C WXVL_AK0048SB0064 [1,1,0,0,0,0|1,0,1]=4 342 B13R1.14 CCC(=O)NCc1ccc(cc1)C WXVL_AK0048SB0064 [1,1,0,0,0,0|1,0,1]=4 343 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0064 [1,1,0,0,0,0|1,0,1]=4 344 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0064 [1,1,0,0,0,0|1,0,1]=4 345 B13R1.14 CCC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0064 [1,1,0,0,0,0|1,0,1]=4 346 B13R1.14 CCC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0064 [1,1,0,0,0,0|1,0,1]=4 347 B13R1.14 CCC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0064 [1,1,0,0,0,0|1,0,1]=4 348 B13R1.14 CCC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0064 [1,1,0,0,0,0|1,0,1]=4 349 B13R1.14 CCC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0064 [1,1,0,0,0,0|1,0,1]=4 350 B13R1.14 CCC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0064 [1,1,0,0,0,0|1,0,1]=4 351 B13R1.14 CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00442SB0418 [1,1,0,0,0,0|1,0,0]=3 352 B13R1.14 CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00442SB0418 [1,1,0,0,0,0|1,0,0]=3 353 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00442SB1122 [1,1,0,0,0,0|1,0,0]=3 354 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00442SB1122 [1,1,0,0,0,0|1,0,0]=3 355 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C WXVL_AK00442SB0060 [1,1,0,0,0,0|1,0,0]=3 356 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C WXVL_AK00442SB0060 [1,1,0,0,0,0|1,0,0]=3 357 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00442SB0119 [1,1,0,0,0,0|1,0,0]=3 358 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00442SB0119 [1,1,0,0,0,0|1,0,0]=3 359 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00442SB1186 [1,1,0,0,0,0|1,0,0]=3 360 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00442SB1186 [1,1,0,0,0,0|1,0,0]=3 361 B13R1.15 CCC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0064 [1,1,0,0,0,0|1,0,1]=4 362 B13R1.15 CCC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0064 [1,1,0,0,0,0|1,0,1]=4 363 B13R1.15 CCC(=O)NCc1cccc(c1)C WXVL_AK0045SB0064 [1,1,0,0,0,0|1,0,1]=4 364 B13R1.15 CCC(=O)NCc1cccc(c1)C WXVL_AK0045SB0064 [1,1,0,0,0,0|1,0,1]=4 365 B13R1.15 CCC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0064 [1,1,0,0,0,0|1,0,1]=4 366 B13R1.15 CCC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0064 [1,1,0,0,0,0|1,0,1]=4 367 B13R1.15 CCC(=O)NCc1cccc(c1)F WXVL_AK0041SB0064 [1,1,0,0,0,0|1,0,1]=4 368 B13R1.15 CCC(=O)NCc1cccc(c1)F WXVL_AK0041SB0064 [1,1,0,0,0,0|1,0,1]=4 369 B13R1.15 CCC(=O)NCc1cccc(c1)I WXVL_AK1572SB0064 [1,1,0,0,0,0|1,0,1]=4 370 B13R1.15 CCC(=O)NCc1cccc(c1)I WXVL_AK1572SB0064 [1,1,0,0,0,0|1,0,1]=4 371 B13R1.15 CCC(=O)NCc1cccc(c1)O WXVL_AK0974SB0064 [1,1,0,0,0,0|1,0,1]=4 372 B13R1.15 CCC(=O)NCc1cccc(c1)O WXVL_AK0974SB0064 [1,1,0,0,0,0|1,0,1]=4 373 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00442SB1601 [1,1,0,0,0,0|1,0,0]=3 374 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00442SB1601 [1,1,0,0,0,0|1,0,0]=3 375 B13R1.15 CNC(=O)C=Cc1cccc(c1)O WXVL_AK00442SB0417 [1,1,0,0,0,0|1,0,0]=3 376 B13R1.15 CNC(=O)C=Cc1cccc(c1)O WXVL_AK00442SB0417 [1,1,0,0,0,0|1,0,0]=3 377 B13R1.135 C=C(Cc1ccccc1)C(=O)NC WXVL_AK00442SB0413 [1,1,0,0,0,0|1,0,1]=4 378 B13R1.135 C=C(Cc1ccccc1)C(=O)NC WXVL_AK00442SB0413 [1,1,0,0,0,0|1,0,1]=4 379 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB0344 [1,1,0,0,0,0|1,0,0]=3 380 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB0344 [1,1,0,0,0,0|1,0,0]=3 381 B13R1.135 CCC(=O)C(=O)Nc1ccccn1 WXVL_AF00298SB0344 [1,1,0,0,0,0|2,0,0]=4 382 B13R1.135 CCC(=O)C(=O)Nc1ccccn1 WXVL_AF00298SB0344 [1,1,0,0,0,0|2,0,0]=4 383 B13R1.135 CCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0064 [1,1,0,0,0,0|1,0,1]=4 384 B13R1.135 CCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0064 [1,1,0,0,0,0|1,0,1]=4 385 B13R1.135 CNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00442SA1933 [1,1,0,0,0,0|2,0,0]=4 386 B13R1.135 CNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00442SA1933 [1,1,0,0,0,0|2,0,0]=4 387 B13R1.254 CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00442HU0026 [1,1,0,0,0,0|2,0,0]=4 388 B13R1.254 CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00442HU0026 [1,1,0,0,0,0|2,0,0]=4 389 B13R1.351 CC(C)C(=O)NCc1ccccc1 WXVL_AK00502SB0052 [1,1,0,0,0,0|1,0,1]=4 390 B13R1.351 CC(C)C(=O)NCc1ccccc1 WXVL_AK00502SB0052 [1,1,0,0,0,0|1,0,1]=4 391 B13R1.351 CC(S)C(=O)NCc1ccccc1 WXVL_AK00502SB2708 [1,1,0,0,0,0|1,0,1]=4 392 B13R1.351 CC(S)C(=O)NCc1ccccc1 WXVL_AK00502SB2708 [1,1,0,0,0,0|1,0,1]=4 393 B13R1.351 CN(C)C(=O)/C=C/c1ccccc1 WXVL_AN0032SB0115 [1,1,0,0,0,0|1,0,0]=3 394 B13R1.351 CN(C)C(=O)/C=C/c1ccccc1 WXVL_AN0032SB0115 [1,1,0,0,0,0|1,0,0]=3 395 B13R1.351 CN(C)C(=O)/C=C/c1cccnc1 WXVL_AN0032SA0193 [1,1,0,0,0,0|2,0,0]=4 396 B13R1.351 CN(C)C(=O)/C=C/c1cccnc1 WXVL_AN0032SA0193 [1,1,0,0,0,0|2,0,0]=4 397 B13R1.351 C[C@@H](O)C(=O)NCc1ccccc1 WXVL_AK00502SB1085 [1,1,0,0,0,0|1,0,1]=4 398 B13R1.351 C[C@@H](O)C(=O)NCc1ccccc1 WXVL_AK00502SB1085 [1,1,0,0,0,0|1,0,1]=4 399 B13R1.528 CCC(=O)NCc1ccccc1Br WXVL_AK1632SB0064 [1,1,0,0,0,0|1,0,1]=4 400 B13R1.528 CCC(=O)NCc1ccccc1Br WXVL_AK1632SB0064 [1,1,0,0,0,0|1,0,1]=4 401 B13R1.528 CCC(=O)NCc1ccccc1C WXVL_AK0040SB0064 [1,1,0,0,0,0|1,0,1]=4 402 B13R1.528 CCC(=O)NCc1ccccc1C WXVL_AK0040SB0064 [1,1,0,0,0,0|1,0,1]=4 403 B13R1.528 CCC(=O)NCc1ccccc1Cl WXVL_AK0038SB0064 [1,1,0,0,0,0|1,0,1]=4 404 B13R1.528 CCC(=O)NCc1ccccc1Cl WXVL_AK0038SB0064 [1,1,0,0,0,0|1,0,1]=4 405 B13R1.528 CCC(=O)NCc1ccccc1F WXVL_AK0037SB0064 [1,1,0,0,0,0|1,0,1]=4 406 B13R1.528 CCC(=O)NCc1ccccc1F WXVL_AK0037SB0064 [1,1,0,0,0,0|1,0,1]=4 407 B13R1.528 CCC(=O)NCc1ccccc1I WXVL_AK3923SB0064 [1,1,0,0,0,0|1,0,1]=4 408 B13R1.528 CCC(=O)NCc1ccccc1I WXVL_AK3923SB0064 [1,1,0,0,0,0|1,0,1]=4 409 B13R1.528 CCC(=O)NCc1ccccc1O WXVL_AK0963SB0064 [1,1,0,0,0,0|1,0,1]=4 410 B13R1.528 CCC(=O)NCc1ccccc1O WXVL_AK0963SB0064 [1,1,0,0,0,0|1,0,1]=4 411 B13R1.528 CNC(=O)C=Cc1ccccc1Br WXVL_AK00442SB3065 [1,1,0,0,0,0|1,0,0]=3 412 B13R1.528 CNC(=O)C=Cc1ccccc1Br WXVL_AK00442SB3065 [1,1,0,0,0,0|1,0,0]=3 413 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB0073 [0,1,0,0,1,0|2,0,0]=4 414 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB0073 [0,1,0,0,1,0|2,0,0]=4 415 B13R1.19 CCCC(=O)Nc1ccc(cc1)I WXVL_AG1742SB0073 [0,1,0,0,1,0|2,0,0]=4 416 B13R1.19 CCCC(=O)Nc1ccc(cc1)I WXVL_AG1742SB0073 [0,1,0,0,1,0|2,0,0]=4 417 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br WXVL_AK00476SB0926 [0,1,0,0,1,0|1,0,1]=4 418 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br WXVL_AK00476SB0926 [0,1,0,0,1,0|1,0,1]=4 419 B13R1.19 CCNC(=O)Cc1ccc(cc1)C WXVL_AK00476SB0112 [0,1,0,0,1,0|1,0,1]=4 420 B13R1.19 CCNC(=O)Cc1ccc(cc1)C WXVL_AK00476SB0112 [0,1,0,0,1,0|1,0,1]=4 421 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl WXVL_AK00476SB0107 [0,1,0,0,1,0|1,0,1]=4 422 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl WXVL_AK00476SB0107 [0,1,0,0,1,0|1,0,1]=4 423 B13R1.19 CCNC(=O)Cc1ccc(cc1)F WXVL_AK00476SB0106 [0,1,0,0,1,0|1,0,1]=4 424 B13R1.19 CCNC(=O)Cc1ccc(cc1)F WXVL_AK00476SB0106 [0,1,0,0,1,0|1,0,1]=4 425 B13R1.19 CCNC(=O)Cc1ccc(cc1)O WXVL_AK00476SB0110 [0,1,0,0,1,0|1,0,1]=4 426 B13R1.19 CCNC(=O)Cc1ccc(cc1)O WXVL_AK00476SB0110 [0,1,0,0,1,0|1,0,1]=4 427 B13R1.19 CCNC(=O)Nc1ccc(cc1)C WXVL_AK00476YV0026 [0,1,0,0,1,0|2,0,0]=4 428 B13R1.19 CCNC(=O)Nc1ccc(cc1)C WXVL_AK00476YV0026 [0,1,0,0,1,0|2,0,0]=4 429 B13R1.19 CCNC(=O)Nc1ccc(cc1)Cl WXVL_AK00476YV0023 [0,1,0,0,1,0|2,0,0]=4 430 B13R1.19 CCNC(=O)Nc1ccc(cc1)Cl WXVL_AK00476YV0023 [0,1,0,0,1,0|2,0,0]=4 431 B13R1.20 CCCC(=O)Nc1cccc(c1)C WXVL_AG0052SB0073 [0,1,0,0,1,0|2,0,0]=4 432 B13R1.20 CCCC(=O)Nc1cccc(c1)C WXVL_AG0052SB0073 [0,1,0,0,1,0|2,0,0]=4 433 B13R1.20 CCCC(=O)Nc1cccc(c1)I WXVL_AG0649SB0073 [0,1,0,0,1,0|2,0,0]=4 434 B13R1.20 CCCC(=O)Nc1cccc(c1)I WXVL_AG0649SB0073 [0,1,0,0,1,0|2,0,0]=4 435 B13R1.20 CCCC(=O)Nc1cccc(c1)O WXVL_AG00200SB0073 [0,1,0,0,1,0|2,0,0]=4 436 B13R1.20 CCCC(=O)Nc1cccc(c1)O WXVL_AG00200SB0073 [0,1,0,0,1,0|2,0,0]=4 437 B13R1.20 CCNC(=O)Cc1cccc(c1)Br WXVL_AK00476SB0099 [0,1,0,0,1,0|1,0,1]=4 438 B13R1.20 CCNC(=O)Cc1cccc(c1)Br WXVL_AK00476SB0099 [0,1,0,0,1,0|1,0,1]=4 439 B13R1.20 CCNC(=O)Cc1cccc(c1)C WXVL_AK00476SB0105 [0,1,0,0,1,0|1,0,1]=4 440 B13R1.20 CCNC(=O)Cc1cccc(c1)C WXVL_AK00476SB0105 [0,1,0,0,1,0|1,0,1]=4 441 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl WXVL_AK00476SB0101 [0,1,0,0,1,0|1,0,1]=4 442 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl WXVL_AK00476SB0101 [0,1,0,0,1,0|1,0,1]=4 443 B13R1.20 CCNC(=O)Cc1cccc(c1)F WXVL_AK00476SB0100 [0,1,0,0,1,0|1,0,1]=4 444 B13R1.20 CCNC(=O)Cc1cccc(c1)F WXVL_AK00476SB0100 [0,1,0,0,1,0|1,0,1]=4 445 B13R1.20 CCNC(=O)Cc1cccc(c1)O WXVL_AK00476SB0104 [0,1,0,0,1,0|1,0,1]=4 446 B13R1.20 CCNC(=O)Cc1cccc(c1)O WXVL_AK00476SB0104 [0,1,0,0,1,0|1,0,1]=4 447 B13R1.20 CCNC(=O)Nc1cccc(c1)Br WXVL_AK00476YV0098 [0,1,0,0,1,0|2,0,0]=4 448 B13R1.20 CCNC(=O)Nc1cccc(c1)Br WXVL_AK00476YV0098 [0,1,0,0,1,0|2,0,0]=4 449 B13R1.20 CCNC(=O)Nc1cccc(c1)C WXVL_AK00476YV0020 [0,1,0,0,1,0|2,0,0]=4 450 B13R1.20 CCNC(=O)Nc1cccc(c1)C WXVL_AK00476YV0020 [0,1,0,0,1,0|2,0,0]=4 451 B13R1.20 CCNC(=O)Nc1cccc(c1)Cl WXVL_AK00476YV0016 [0,1,0,0,1,0|2,0,0]=4 452 B13R1.20 CCNC(=O)Nc1cccc(c1)Cl WXVL_AK00476YV0016 [0,1,0,0,1,0|2,0,0]=4 453 B13R1.47 CCNC(=O)C(=O)c1ccccc1 WXVL_AK00476SB0050 [0,1,0,0,1,0|1,0,0]=3 454 B13R1.47 CCNC(=O)C(=O)c1ccccc1 WXVL_AK00476SB0050 [0,1,0,0,1,0|1,0,0]=3 455 B13R1.47 CCNC(=O)C(C)c1ccccc1 WXVL_AK00476SB2326 [0,1,0,0,1,0|1,0,1]=4 456 B13R1.47 CCNC(=O)C(C)c1ccccc1 WXVL_AK00476SB2326 [0,1,0,0,1,0|1,0,1]=4 457 B13R1.47 CCNC(=O)C(O)c1ccccc1 WXVL_AK00476SB0168 [0,1,0,0,1,0|1,0,1]=4 458 B13R1.47 CCNC(=O)C(O)c1ccccc1 WXVL_AK00476SB0168 [0,1,0,0,1,0|1,0,1]=4 459 B13R1.348 CC(C)CC(=O)Nc1ccccc1 WXVL_AG00183SB0063 [0,1,0,0,1,0|2,0,0]=4 460 B13R1.348 CC(C)CC(=O)Nc1ccccc1 WXVL_AG00183SB0063 [0,1,0,0,1,0|2,0,0]=4 461 B13R1.348 CC(C)NC(=O)Cc1ccccc1 WXVL_AK0030SB0092 [0,1,0,0,1,0|1,0,1]=4 462 B13R1.348 CC(C)NC(=O)Cc1ccccc1 WXVL_AK0030SB0092 [0,1,0,0,1,0|1,0,1]=4 463 B13R1.348 CC(O)CC(=O)Nc1ccccc1 WXVL_AG00183SB3643 [0,1,0,0,1,0|2,0,0]=4 464 B13R1.348 CC(O)CC(=O)Nc1ccccc1 WXVL_AG00183SB3643 [0,1,0,0,1,0|2,0,0]=4 465 B13R1.470 CCCC(=O)Nc1ccccc1Br WXVL_AG00180SB0073 [0,1,0,0,1,0|2,0,0]=4 466 B13R1.470 CCCC(=O)Nc1ccccc1Br WXVL_AG00180SB0073 [0,1,0,0,1,0|2,0,0]=4 467 B13R1.470 CCCC(=O)Nc1ccccc1C WXVL_AG0027SB0073 [0,1,0,0,1,0|2,0,0]=4 468 B13R1.470 CCCC(=O)Nc1ccccc1C WXVL_AG0027SB0073 [0,1,0,0,1,0|2,0,0]=4 469 B13R1.470 CCCC(=O)Nc1ccccc1Cl WXVL_AG00129SB0073 [0,1,0,0,1,0|2,0,0]=4 470 B13R1.470 CCCC(=O)Nc1ccccc1Cl WXVL_AG00129SB0073 [0,1,0,0,1,0|2,0,0]=4 471 B13R1.470 CCCC(=O)Nc1ccccc1I WXVL_AG0385SB0073 [0,1,0,0,1,0|2,0,0]=4 472 B13R1.470 CCCC(=O)Nc1ccccc1I WXVL_AG0385SB0073 [0,1,0,0,1,0|2,0,0]=4 473 B13R1.470 CCNC(=O)Cc1ccccc1Br WXVL_AK00476SB0093 [0,1,0,0,1,0|1,0,1]=4 474 B13R1.470 CCNC(=O)Cc1ccccc1Br WXVL_AK00476SB0093 [0,1,0,0,1,0|1,0,1]=4 475 B13R1.470 CCNC(=O)Cc1ccccc1C WXVL_AK00476SB0098 [0,1,0,0,1,0|1,0,1]=4 476 B13R1.470 CCNC(=O)Cc1ccccc1C WXVL_AK00476SB0098 [0,1,0,0,1,0|1,0,1]=4 477 B13R1.470 CCNC(=O)Cc1ccccc1Cl WXVL_AK00476SB0095 [0,1,0,0,1,0|1,0,1]=4 478 B13R1.470 CCNC(=O)Cc1ccccc1Cl WXVL_AK00476SB0095 [0,1,0,0,1,0|1,0,1]=4 479 B13R1.470 CCNC(=O)Cc1ccccc1F WXVL_AK00476SB0094 [0,1,0,0,1,0|1,0,1]=4 480 B13R1.470 CCNC(=O)Cc1ccccc1F WXVL_AK00476SB0094 [0,1,0,0,1,0|1,0,1]=4 481 B13R1.470 CCNC(=O)Cc1ccccc1I WXVL_AK00476SB1145 [0,1,0,0,1,0|1,0,1]=4 482 B13R1.470 CCNC(=O)Cc1ccccc1I WXVL_AK00476SB1145 [0,1,0,0,1,0|1,0,1]=4 483 B13R1.470 CCNC(=O)Cc1ccccc1O WXVL_AK00476SB0400 [0,1,0,0,1,0|1,0,1]=4 484 B13R1.470 CCNC(=O)Cc1ccccc1O WXVL_AK00476SB0400 [0,1,0,0,1,0|1,0,1]=4 485 B13R1.470 CCNC(=O)Nc1ccccc1Br WXVL_AK00476YV0003 [0,1,0,0,1,0|2,0,0]=4 486 B13R1.470 CCNC(=O)Nc1ccccc1Br WXVL_AK00476YV0003 [0,1,0,0,1,0|2,0,0]=4 487 B13R1.470 CCNC(=O)Nc1ccccc1C WXVL_AK00476YV0013 [0,1,0,0,1,0|2,0,0]=4 488 B13R1.470 CCNC(=O)Nc1ccccc1C WXVL_AK00476YV0013 [0,1,0,0,1,0|2,0,0]=4 489 B13R1.470 CCNC(=O)Nc1ccccc1Cl WXVL_AK00476YV0007 [0,1,0,0,1,0|2,0,0]=4 490 B13R1.470 CCNC(=O)Nc1ccccc1Cl WXVL_AK00476YV0007 [0,1,0,0,1,0|2,0,0]=4 491 B13R1.41 CCNC(=O)/C=C/c1ccc(s1)C WXVL_AK00476SA1334 [0,1,0,0,1,0|2,0,0]=4 492 B13R1.41 CCNC(=O)/C=C/c1ccc(s1)C WXVL_AK00476SA1334 [0,1,0,0,1,0|2,0,0]=4 493 B13R1.66 CCOC(=O)C(=O)Nc1ccsc1 WXVL_AF00105SB4144 [0,1,0,0,1,0|2,0,0]=4 494 B13R1.66 CCOC(=O)C(=O)Nc1ccsc1 WXVL_AF00105SB4144 [0,1,0,0,1,0|2,0,0]=4 495 B13R1.153 CCCNC(=O)/C=C/c1ccco1 WXVL_AK00504SA0180 [0,1,0,0,1,0|2,0,0]=4 496 B13R1.153 CCCNC(=O)/C=C/c1ccco1 WXVL_AK00504SA0180 [0,1,0,0,1,0|2,0,0]=4 497 B13R1.153 CCCNC(=O)/C=C/c1cccs1 WXVL_AK00504SA0001 [0,1,0,0,1,0|2,0,0]=4 498 B13R1.153 CCCNC(=O)/C=C/c1cccs1 WXVL_AK00504SA0001 [0,1,0,0,1,0|2,0,0]=4 499 B13R1.153 CCCNC(=O)/C=C/c1ccoc1 WXVL_AK00504SA0047 [0,1,0,0,1,0|2,0,0]=4 500 B13R1.153 CCCNC(=O)/C=C/c1ccoc1 WXVL_AK00504SA0047 [0,1,0,0,1,0|2,0,0]=4 501 B13R1.153 CCCNC(=O)/C=C/c1ccsc1 WXVL_AK00504SA0251 [0,1,0,0,1,0|2,0,0]=4 502 B13R1.153 CCCNC(=O)/C=C/c1ccsc1 WXVL_AK00504SA0251 [0,1,0,0,1,0|2,0,0]=4 503 B13R1.153 O=C(/C=C/c1ccco1)NCCF WXVL_AK00466SA0180 [0,1,0,0,1,0|2,0,0]=4 504 B13R1.153 O=C(/C=C/c1ccco1)NCCF WXVL_AK00466SA0180 [0,1,0,0,1,0|2,0,0]=4 505 B13R1.153 O=C(/C=C/c1cccs1)NCCF WXVL_AK00466SA0001 [0,1,0,0,1,0|2,0,0]=4 506 B13R1.153 O=C(/C=C/c1cccs1)NCCF WXVL_AK00466SA0001 [0,1,0,0,1,0|2,0,0]=4 507 B13R1.153 O=C(/C=C/c1ccoc1)NCCF WXVL_AK00466SA0047 [0,1,0,0,1,0|2,0,0]=4 508 B13R1.153 O=C(/C=C/c1ccoc1)NCCF WXVL_AK00466SA0047 [0,1,0,0,1,0|2,0,0]=4 509 B13R1.153 O=C(/C=C/c1ccsc1)NCCF WXVL_AK00466SA0251 [0,1,0,0,1,0|2,0,0]=4 510 B13R1.153 O=C(/C=C/c1ccsc1)NCCF WXVL_AK00466SA0251 [0,1,0,0,1,0|2,0,0]=4 511 B13R1.593 CC(C)NC(=O)/C=C/c1ccco1 WXVL_AK0030SA0180 [0,1,0,0,1,0|2,0,0]=4 512 B13R1.593 CC(C)NC(=O)/C=C/c1ccco1 WXVL_AK0030SA0180 [0,1,0,0,1,0|2,0,0]=4 513 B13R1.593 CC(C)NC(=O)/C=C/c1cccs1 WXVL_AK0030SA0001 [0,1,0,0,1,0|2,0,0]=4 514 B13R1.593 CC(C)NC(=O)/C=C/c1cccs1 WXVL_AK0030SA0001 [0,1,0,0,1,0|2,0,0]=4 515 B13R1.593 CC(C)NC(=O)/C=C/c1ccoc1 WXVL_AK0030SA0047 [0,1,0,0,1,0|2,0,0]=4 516 B13R1.593 CC(C)NC(=O)/C=C/c1ccoc1 WXVL_AK0030SA0047 [0,1,0,0,1,0|2,0,0]=4 517 B13R1.593 CC(C)NC(=O)/C=C/c1ccsc1 WXVL_AK0030SA0251 [0,1,0,0,1,0|2,0,0]=4 518 B13R1.593 CC(C)NC(=O)/C=C/c1ccsc1 WXVL_AK0030SA0251 [0,1,0,0,1,0|2,0,0]=4 519 B15R1.89 CCNC(=O)CNC(=O)c1ccccc1 WXVL_AK00476SB0466 [0,1,0,0,0,1|1,0,1]=4 520 B15R1.89 CCNC(=O)CNC(=O)c1ccccc1 WXVL_AK00476SB0466 [0,1,0,0,0,1|1,0,1]=4 521 B15R1.157 CCOCC(=O)NCCc1ccccc1 WXVL_AK00498SB0091 [0,1,0,0,0,1|0,0,2]=4 522 B15R1.157 CCOCC(=O)NCCc1ccccc1 WXVL_AK00498SB0091 [0,1,0,0,0,1|0,0,2]=4 523 B15R1.809 CCOC(=O)CC(=O)Nc1ccccc1 WXVL_AG00183SB3094 [0,1,0,0,0,1|0,0,1]=3 524 B15R1.809 CCOC(=O)CC(=O)Nc1ccccc1 WXVL_AG00183SB3094 [0,1,0,0,0,1|0,0,1]=3 525 B15R1.809 CCOC(=O)CC(=O)Nc1ccccn1 WXVL_AF00298SB3094 [0,1,0,0,0,1|1,0,1]=4 526 B15R1.809 CCOC(=O)CC(=O)Nc1ccccn1 WXVL_AF00298SB3094 [0,1,0,0,0,1|1,0,1]=4 527 B15R1.826 CCOC(=O)C(=O)NCc1ccccc1 WXVL_AK00502SB4144 [0,1,0,0,0,1|0,0,1]=3 528 B15R1.826 CCOC(=O)C(=O)NCc1ccccc1 WXVL_AK00502SB4144 [0,1,0,0,0,1|0,0,1]=3 529 B15R1.826 CCOC(=O)C(=O)NCc1ccccn1 WXVL_AK0018SB4144 [0,1,0,0,0,1|1,0,1]=4 530 B15R1.826 CCOC(=O)C(=O)NCc1ccccn1 WXVL_AK0018SB4144 [0,1,0,0,0,1|1,0,1]=4 531 B15R1.826 CCOC(=O)C(=O)NCc1cccnc1 WXVL_AK0020SB4144 [0,1,0,0,0,1|1,0,1]=4 532 B15R1.826 CCOC(=O)C(=O)NCc1cccnc1 WXVL_AK0020SB4144 [0,1,0,0,0,1|1,0,1]=4 533 B15R1.826 CCOC(=O)C(=O)NCc1ccncc1 WXVL_AK0021SB4144 [0,1,0,0,0,1|1,0,1]=4 534 B15R1.826 CCOC(=O)C(=O)NCc1ccncc1 WXVL_AK0021SB4144 [0,1,0,0,0,1|1,0,1]=4 535 B15R1.115 CCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00504YV0027 [0,2,0,0,0,0|2,0,0]=4 536 B15R1.115 CCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00504YV0027 [0,2,0,0,0,0|2,0,0]=4 537 B15R1.115 O=C(NCCF)NC(=O)c1ccccc1 WXVL_AK00466YV0027 [0,2,0,0,0,0|2,0,0]=4 538 B15R1.115 O=C(NCCF)NC(=O)c1ccccc1 WXVL_AK00466YV0027 [0,2,0,0,0,0|2,0,0]=4 539 B15R1.1076 CC(C)NC(=O)NC(=O)c1ccccc1 WXVL_AK0030YV0027 [0,2,0,0,0,0|2,0,0]=4 540 B15R1.1076 CC(C)NC(=O)NC(=O)c1ccccc1 WXVL_AK0030YV0027 [0,2,0,0,0,0|2,0,0]=4 541 B15R1.49 CCOC(=O)C(=O)Nc1cc(ccn1)Cl WXVL_AF3296SB4144 [0,2,0,0,0,0|2,0,0]=4 542 B15R1.49 CCOC(=O)C(=O)Nc1cc(ccn1)Cl WXVL_AF3296SB4144 [0,2,0,0,0,0|2,0,0]=4 543 B15R1.49 CCOC(=O)C(=O)Nc1cc(ccn1)F WXVL_AF0152SB4144 [0,2,0,0,0,0|2,0,0]=4 544 B15R1.49 CCOC(=O)C(=O)Nc1cc(ccn1)F WXVL_AF0152SB4144 [0,2,0,0,0,0|2,0,0]=4 545 B15R1.49 CCOC(=O)C(=O)Nc1cc(ccn1)O WXVL_AF3303SB4144 [0,2,0,0,0,0|2,0,0]=4 546 B15R1.49 CCOC(=O)C(=O)Nc1cc(ccn1)O WXVL_AF3303SB4144 [0,2,0,0,0,0|2,0,0]=4 547 B15R1.49 CCOC(=O)C(=O)Nc1cc[nH]c(=O)c1 WXVL_AK8414SB4144 [0,2,0,0,0,0|2,0,0]=4 548 B15R1.49 CCOC(=O)C(=O)Nc1cc[nH]c(=O)c1 WXVL_AK8414SB4144 [0,2,0,0,0,0|2,0,0]=4 549 B15R1.49 CCOC(=O)C(=O)Nc1cccc(c1)C WXVL_AG0052SB4144 [0,2,0,0,0,0|1,0,0]=3 550 B15R1.49 CCOC(=O)C(=O)Nc1cccc(c1)C WXVL_AG0052SB4144 [0,2,0,0,0,0|1,0,0]=3 551 B15R1.49 CCOC(=O)C(=O)Nc1cccc(c1)I WXVL_AG0649SB4144 [0,2,0,0,0,0|1,0,0]=3 552 B15R1.49 CCOC(=O)C(=O)Nc1cccc(c1)I WXVL_AG0649SB4144 [0,2,0,0,0,0|1,0,0]=3 553 B15R1.49 CCOC(=O)C(=O)Nc1cccc(c1)O WXVL_AG00200SB4144 [0,2,0,0,0,0|1,0,0]=3 554 B15R1.49 CCOC(=O)C(=O)Nc1cccc(c1)O WXVL_AG00200SB4144 [0,2,0,0,0,0|1,0,0]=3 555 B15R1.49 CCOC(=O)C(=O)Nc1cccc(n1)Br WXVL_AF0038SB4144 [0,2,0,0,0,0|2,0,0]=4 556 B15R1.49 CCOC(=O)C(=O)Nc1cccc(n1)Br WXVL_AF0038SB4144 [0,2,0,0,0,0|2,0,0]=4 557 B15R1.49 CCOC(=O)C(=O)Nc1cccc(n1)C WXVL_AF0019SB4144 [0,2,0,0,0,0|2,0,0]=4 558 B15R1.49 CCOC(=O)C(=O)Nc1cccc(n1)C WXVL_AF0019SB4144 [0,2,0,0,0,0|2,0,0]=4 559 B15R1.49 CCOC(=O)C(=O)Nc1cccc(n1)Cl WXVL_AF0312SB4144 [0,2,0,0,0,0|2,0,0]=4 560 B15R1.49 CCOC(=O)C(=O)Nc1cccc(n1)Cl WXVL_AF0312SB4144 [0,2,0,0,0,0|2,0,0]=4 561 B15R1.49 CCOC(=O)C(=O)Nc1cccc(n1)F WXVL_AF0307SB4144 [0,2,0,0,0,0|2,0,0]=4 562 B15R1.49 CCOC(=O)C(=O)Nc1cccc(n1)F WXVL_AF0307SB4144 [0,2,0,0,0,0|2,0,0]=4 563 B15R1.49 CCOC(=O)C(=O)Nc1cccc(n1)I WXVL_AF0430SB4144 [0,2,0,0,0,0|2,0,0]=4 564 B15R1.49 CCOC(=O)C(=O)Nc1cccc(n1)I WXVL_AF0430SB4144 [0,2,0,0,0,0|2,0,0]=4 565 B15R1.49 CCOC(=O)C(=O)Nc1cccc(n1)O WXVL_AF2469SB4144 [0,2,0,0,0,0|2,0,0]=4 566 B15R1.49 CCOC(=O)C(=O)Nc1cccc(n1)O WXVL_AF2469SB4144 [0,2,0,0,0,0|2,0,0]=4 567 B15R1.49 CCOC(=O)C(=O)Nc1ccnc(c1)Br WXVL_AF0395SB4144 [0,2,0,0,0,0|2,0,0]=4 568 B15R1.49 CCOC(=O)C(=O)Nc1ccnc(c1)Br WXVL_AF0395SB4144 [0,2,0,0,0,0|2,0,0]=4 569 B15R1.49 CCOC(=O)C(=O)Nc1ccnc(c1)Cl WXVL_AF0319SB4144 [0,2,0,0,0,0|2,0,0]=4 570 B15R1.49 CCOC(=O)C(=O)Nc1ccnc(c1)Cl WXVL_AF0319SB4144 [0,2,0,0,0,0|2,0,0]=4 571 B15R1.49 CCOC(=O)C(=O)Nc1ccnc(c1)F WXVL_AF0676SB4144 [0,2,0,0,0,0|2,0,0]=4 572 B15R1.49 CCOC(=O)C(=O)Nc1ccnc(c1)F WXVL_AF0676SB4144 [0,2,0,0,0,0|2,0,0]=4 573 B15R1.49 CCOC(=O)C(=O)Nc1ccnc(c1)O WXVL_AF0326SB4144 [0,2,0,0,0,0|2,0,0]=4 574 B15R1.49 CCOC(=O)C(=O)Nc1ccnc(c1)O WXVL_AF0326SB4144 [0,2,0,0,0,0|2,0,0]=4 575 B15R1.49 CCOC(=O)C(=O)Nc1cncc(c1)Br WXVL_AF0318SB4144 [0,2,0,0,0,0|2,0,0]=4 576 B15R1.49 CCOC(=O)C(=O)Nc1cncc(c1)Br WXVL_AF0318SB4144 [0,2,0,0,0,0|2,0,0]=4 577 B15R1.49 CCOC(=O)C(=O)Nc1cncc(c1)C WXVL_AF0136SB4144 [0,2,0,0,0,0|2,0,0]=4 578 B15R1.49 CCOC(=O)C(=O)Nc1cncc(c1)C WXVL_AF0136SB4144 [0,2,0,0,0,0|2,0,0]=4 579 B15R1.49 CCOC(=O)C(=O)Nc1cncc(c1)Cl WXVL_AF0629SB4144 [0,2,0,0,0,0|2,0,0]=4 580 B15R1.49 CCOC(=O)C(=O)Nc1cncc(c1)Cl WXVL_AF0629SB4144 [0,2,0,0,0,0|2,0,0]=4 581 B15R1.49 CCOC(=O)C(=O)Nc1cncc(c1)F WXVL_AF0342SB4144 [0,2,0,0,0,0|2,0,0]=4 582 B15R1.49 CCOC(=O)C(=O)Nc1cncc(c1)F WXVL_AF0342SB4144 [0,2,0,0,0,0|2,0,0]=4 583 B15R1.49 CCOC(=O)C(=O)Nc1cncc(c1)O WXVL_AF0659SB4144 [0,2,0,0,0,0|2,0,0]=4 584 B15R1.49 CCOC(=O)C(=O)Nc1cncc(c1)O WXVL_AF0659SB4144 [0,2,0,0,0,0|2,0,0]=4 585 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00561SB1601 [0,2,0,0,0,0|1,0,1]=4 586 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00561SB1601 [0,2,0,0,0,0|1,0,1]=4 587 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)O WXVL_AK00561SB0417 [0,2,0,0,0,0|1,0,1]=4 588 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)O WXVL_AK00561SB0417 [0,2,0,0,0,0|1,0,1]=4 589 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00504SB1601 [0,2,0,0,0,0|1,0,0]=3 590 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00504SB1601 [0,2,0,0,0,0|1,0,0]=3 591 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00504SB0417 [0,2,0,0,0,0|1,0,0]=3 592 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00504SB0417 [0,2,0,0,0,0|1,0,0]=3 593 B15R1.127 CCOCC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0091 [0,2,0,0,0,0|1,0,1]=4 594 B15R1.127 CCOCC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0091 [0,2,0,0,0,0|1,0,1]=4 595 B15R1.127 CCOCC(=O)NCc1cccc(c1)C WXVL_AK0045SB0091 [0,2,0,0,0,0|1,0,1]=4 596 B15R1.127 CCOCC(=O)NCc1cccc(c1)C WXVL_AK0045SB0091 [0,2,0,0,0,0|1,0,1]=4 597 B15R1.127 CCOCC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0091 [0,2,0,0,0,0|1,0,1]=4 598 B15R1.127 CCOCC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0091 [0,2,0,0,0,0|1,0,1]=4 599 B15R1.127 CCOCC(=O)NCc1cccc(c1)F WXVL_AK0041SB0091 [0,2,0,0,0,0|1,0,1]=4 600 B15R1.127 CCOCC(=O)NCc1cccc(c1)F WXVL_AK0041SB0091 [0,2,0,0,0,0|1,0,1]=4 601 B15R1.127 CCOCC(=O)NCc1cccc(c1)I WXVL_AK1572SB0091 [0,2,0,0,0,0|1,0,1]=4 602 B15R1.127 CCOCC(=O)NCc1cccc(c1)I WXVL_AK1572SB0091 [0,2,0,0,0,0|1,0,1]=4 603 B15R1.127 CCOCC(=O)NCc1cccc(c1)O WXVL_AK0974SB0091 [0,2,0,0,0,0|1,0,1]=4 604 B15R1.127 CCOCC(=O)NCc1cccc(c1)O WXVL_AK0974SB0091 [0,2,0,0,0,0|1,0,1]=4 605 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0683SB1601 [0,2,0,0,0,0|1,0,1]=4 606 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0683SB1601 [0,2,0,0,0,0|1,0,1]=4 607 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)O WXVL_AK0683SB0417 [0,2,0,0,0,0|1,0,1]=4 608 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)O WXVL_AK0683SB0417 [0,2,0,0,0,0|1,0,1]=4 609 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF WXVL_AK00466SB1601 [0,2,0,0,0,0|1,0,0]=3 610 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF WXVL_AK00466SB1601 [0,2,0,0,0,0|1,0,0]=3 611 B15R1.127 O=C(C=Cc1cccc(c1)O)NCCF WXVL_AK00466SB0417 [0,2,0,0,0,0|1,0,0]=3 612 B15R1.127 O=C(C=Cc1cccc(c1)O)NCCF WXVL_AK00466SB0417 [0,2,0,0,0,0|1,0,0]=3 613 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK0030SB1601 [0,2,0,0,0,0|1,0,0]=3 614 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK0030SB1601 [0,2,0,0,0,0|1,0,0]=3 615 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)O WXVL_AK0030SB0417 [0,2,0,0,0,0|1,0,0]=3 616 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)O WXVL_AK0030SB0417 [0,2,0,0,0,0|1,0,0]=3 617 B15R1.9720 CCNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK00476SB1124 [0,2,0,0,0,0|1,0,0]=3 618 B15R1.9720 CCNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK00476SB1124 [0,2,0,0,0,0|1,0,0]=3 619 B15R1.10389 CCNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK00476SB2454 [0,2,0,0,0,0|1,0,0]=3 620 B15R1.10389 CCNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK00476SB2454 [0,2,0,0,0,0|1,0,0]=3 621 B15R1.10389 CCNC(=O)C=Cc1cccc(c1)OC WXVL_AK00476SB0458 [0,2,0,0,0,0|1,0,0]=3 622 B15R1.10389 CCNC(=O)C=Cc1cccc(c1)OC WXVL_AK00476SB0458 [0,2,0,0,0,0|1,0,0]=3 623 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK00476SB0118 [0,2,0,0,0,0|1,0,0]=3 624 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK00476SB0118 [0,2,0,0,0,0|1,0,0]=3 625 B15R1.48 CCNC(=O)C(=O)Cc1ccc(cc1)O WXVL_AK00476SB2710 [0,2,0,0,0,0|1,0,1]=4 626 B15R1.48 CCNC(=O)C(=O)Cc1ccc(cc1)O WXVL_AK00476SB2710 [0,2,0,0,0,0|1,0,1]=4 627 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB4144 [0,2,0,0,0,0|1,0,0]=3 628 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB4144 [0,2,0,0,0,0|1,0,0]=3 629 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)I WXVL_AG1742SB4144 [0,2,0,0,0,0|1,0,0]=3 630 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)I WXVL_AG1742SB4144 [0,2,0,0,0,0|1,0,0]=3 631 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cn1)C WXVL_AF0018SB4144 [0,2,0,0,0,0|2,0,0]=4 632 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cn1)C WXVL_AF0018SB4144 [0,2,0,0,0,0|2,0,0]=4 633 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cn1)Cl WXVL_AF0017SB4144 [0,2,0,0,0,0|2,0,0]=4 634 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cn1)Cl WXVL_AF0017SB4144 [0,2,0,0,0,0|2,0,0]=4 635 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cn1)O WXVL_AF3250SB4144 [0,2,0,0,0,0|2,0,0]=4 636 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cn1)O WXVL_AF3250SB4144 [0,2,0,0,0,0|2,0,0]=4 637 B15R1.48 CCOC(=O)C(=O)Nc1ccc(nc1)Br WXVL_AF0320SB4144 [0,2,0,0,0,0|2,0,0]=4 638 B15R1.48 CCOC(=O)C(=O)Nc1ccc(nc1)Br WXVL_AF0320SB4144 [0,2,0,0,0,0|2,0,0]=4 639 B15R1.48 CCOC(=O)C(=O)Nc1ccc(nc1)C WXVL_AF0076SB4144 [0,2,0,0,0,0|2,0,0]=4 640 B15R1.48 CCOC(=O)C(=O)Nc1ccc(nc1)C WXVL_AF0076SB4144 [0,2,0,0,0,0|2,0,0]=4 641 B15R1.48 CCOC(=O)C(=O)Nc1ccc(nc1)Cl WXVL_AF0323SB4144 [0,2,0,0,0,0|2,0,0]=4 642 B15R1.48 CCOC(=O)C(=O)Nc1ccc(nc1)Cl WXVL_AF0323SB4144 [0,2,0,0,0,0|2,0,0]=4 643 B15R1.48 CCOC(=O)C(=O)Nc1ccc(nc1)F WXVL_AF0400SB4144 [0,2,0,0,0,0|2,0,0]=4 644 B15R1.48 CCOC(=O)C(=O)Nc1ccc(nc1)F WXVL_AF0400SB4144 [0,2,0,0,0,0|2,0,0]=4 645 B15R1.48 CCOC(=O)C(=O)Nc1ccc(nc1)I WXVL_AF1228SB4144 [0,2,0,0,0,0|2,0,0]=4 646 B15R1.48 CCOC(=O)C(=O)Nc1ccc(nc1)I WXVL_AF1228SB4144 [0,2,0,0,0,0|2,0,0]=4 647 B15R1.48 CCOC(=O)C(=O)Nc1ccc(nc1)O WXVL_AF0322SB4144 [0,2,0,0,0,0|2,0,0]=4 648 B15R1.48 CCOC(=O)C(=O)Nc1ccc(nc1)O WXVL_AF0322SB4144 [0,2,0,0,0,0|2,0,0]=4 649 B15R1.496 C/C(=C\c1cccnc1)/C(=O)NC(C)C WXVL_AK0030SA1933 [0,2,0,0,0,0|2,0,0]=4 650 B15R1.496 C/C(=C\c1cccnc1)/C(=O)NC(C)C WXVL_AK0030SA1933 [0,2,0,0,0,0|2,0,0]=4 651 B15R1.496 C=C(Cc1ccccc1)C(=O)NC(C)C WXVL_AK0030SB0413 [0,2,0,0,0,0|1,0,1]=4 652 B15R1.496 C=C(Cc1ccccc1)C(=O)NC(C)C WXVL_AK0030SB0413 [0,2,0,0,0,0|1,0,1]=4 653 B15R1.551 C/C(=C\c1cccnc1)/C(=O)NCCF WXVL_AK00466SA1933 [0,2,0,0,0,0|2,0,0]=4 654 B15R1.551 C/C(=C\c1cccnc1)/C(=O)NCCF WXVL_AK00466SA1933 [0,2,0,0,0,0|2,0,0]=4 655 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCC WXVL_AK00504SB0413 [0,2,0,0,0,0|1,0,1]=4 656 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCC WXVL_AK00504SB0413 [0,2,0,0,0,0|1,0,1]=4 657 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCF WXVL_AK00466SB0413 [0,2,0,0,0,0|1,0,1]=4 658 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCF WXVL_AK00466SB0413 [0,2,0,0,0,0|1,0,1]=4 659 B15R1.551 CCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00504SA1933 [0,2,0,0,0,0|2,0,0]=4 660 B15R1.551 CCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00504SA1933 [0,2,0,0,0,0|2,0,0]=4 661 B15R1.551 CCOCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0091 [0,2,0,0,0,0|1,0,1]=4 662 B15R1.551 CCOCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0091 [0,2,0,0,0,0|1,0,1]=4 663 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1Br WXVL_AG00180SB4144 [0,2,0,0,0,0|1,0,0]=3 664 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1Br WXVL_AG00180SB4144 [0,2,0,0,0,0|1,0,0]=3 665 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1C WXVL_AG0027SB4144 [0,2,0,0,0,0|1,0,0]=3 666 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1C WXVL_AG0027SB4144 [0,2,0,0,0,0|1,0,0]=3 667 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1Cl WXVL_AG00129SB4144 [0,2,0,0,0,0|1,0,0]=3 668 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1Cl WXVL_AG00129SB4144 [0,2,0,0,0,0|1,0,0]=3 669 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1I WXVL_AG0385SB4144 [0,2,0,0,0,0|1,0,0]=3 670 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1I WXVL_AG0385SB4144 [0,2,0,0,0,0|1,0,0]=3 671 B15R1.3960 CCOC(=O)C(=O)Nc1cccnc1Br WXVL_AF0399SB4144 [0,2,0,0,0,0|2,0,0]=4 672 B15R1.3960 CCOC(=O)C(=O)Nc1cccnc1Br WXVL_AF0399SB4144 [0,2,0,0,0,0|2,0,0]=4 673 B15R1.3960 CCOC(=O)C(=O)Nc1cccnc1C WXVL_AF0055SB4144 [0,2,0,0,0,0|2,0,0]=4 674 B15R1.3960 CCOC(=O)C(=O)Nc1cccnc1C WXVL_AF0055SB4144 [0,2,0,0,0,0|2,0,0]=4 675 B15R1.3960 CCOC(=O)C(=O)Nc1cccnc1Cl WXVL_AF0009SB4144 [0,2,0,0,0,0|2,0,0]=4 676 B15R1.3960 CCOC(=O)C(=O)Nc1cccnc1Cl WXVL_AF0009SB4144 [0,2,0,0,0,0|2,0,0]=4 677 B15R1.3960 CCOC(=O)C(=O)Nc1cccnc1F WXVL_AF0419SB4144 [0,2,0,0,0,0|2,0,0]=4 678 B15R1.3960 CCOC(=O)C(=O)Nc1cccnc1F WXVL_AF0419SB4144 [0,2,0,0,0,0|2,0,0]=4 679 B15R1.3960 CCOC(=O)C(=O)Nc1cccnc1I WXVL_AF0681SB4144 [0,2,0,0,0,0|2,0,0]=4 680 B15R1.3960 CCOC(=O)C(=O)Nc1cccnc1I WXVL_AF0681SB4144 [0,2,0,0,0,0|2,0,0]=4 681 B15R1.3960 CCOC(=O)C(=O)Nc1cccnc1O WXVL_AF0440SB4144 [0,2,0,0,0,0|2,0,0]=4 682 B15R1.3960 CCOC(=O)C(=O)Nc1cccnc1O WXVL_AF0440SB4144 [0,2,0,0,0,0|2,0,0]=4 683 B15R1.3960 CCOC(=O)C(=O)Nc1ccncc1C WXVL_AF0049SB4144 [0,2,0,0,0,0|2,0,0]=4 684 B15R1.3960 CCOC(=O)C(=O)Nc1ccncc1C WXVL_AF0049SB4144 [0,2,0,0,0,0|2,0,0]=4 685 B15R1.3960 CCOC(=O)C(=O)Nc1ccncc1Cl WXVL_AF3285SB4144 [0,2,0,0,0,0|2,0,0]=4 686 B15R1.3960 CCOC(=O)C(=O)Nc1ccncc1Cl WXVL_AF3285SB4144 [0,2,0,0,0,0|2,0,0]=4 687 B15R1.3960 CCOC(=O)C(=O)Nc1ccncc1F WXVL_AF2713SB4144 [0,2,0,0,0,0|2,0,0]=4 688 B15R1.3960 CCOC(=O)C(=O)Nc1ccncc1F WXVL_AF2713SB4144 [0,2,0,0,0,0|2,0,0]=4 689 B15R1.3960 CCOC(=O)C(=O)Nc1ccncc1O WXVL_AF0234SB4144 [0,2,0,0,0,0|2,0,0]=4 690 B15R1.3960 CCOC(=O)C(=O)Nc1ccncc1O WXVL_AF0234SB4144 [0,2,0,0,0,0|2,0,0]=4 691 B15R1.3960 CCOC(=O)C(=O)Nc1cnccc1Br WXVL_AF1085SB4144 [0,2,0,0,0,0|2,0,0]=4 692 B15R1.3960 CCOC(=O)C(=O)Nc1cnccc1Br WXVL_AF1085SB4144 [0,2,0,0,0,0|2,0,0]=4 693 B15R1.3960 CCOC(=O)C(=O)Nc1cnccc1C WXVL_AF0075SB4144 [0,2,0,0,0,0|2,0,0]=4 694 B15R1.3960 CCOC(=O)C(=O)Nc1cnccc1C WXVL_AF0075SB4144 [0,2,0,0,0,0|2,0,0]=4 695 B15R1.3960 CCOC(=O)C(=O)Nc1cnccc1Cl WXVL_AF0294SB4144 [0,2,0,0,0,0|2,0,0]=4 696 B15R1.3960 CCOC(=O)C(=O)Nc1cnccc1Cl WXVL_AF0294SB4144 [0,2,0,0,0,0|2,0,0]=4 697 B15R1.3960 CCOC(=O)C(=O)Nc1cnccc1I WXVL_AF0133SB4144 [0,2,0,0,0,0|2,0,0]=4 698 B15R1.3960 CCOC(=O)C(=O)Nc1cnccc1I WXVL_AF0133SB4144 [0,2,0,0,0,0|2,0,0]=4 699 B15R1.3960 CCOC(=O)C(=O)Nc1ncccc1Br WXVL_AF0053SB4144 [0,2,0,0,0,0|2,0,0]=4 700 B15R1.3960 CCOC(=O)C(=O)Nc1ncccc1Br WXVL_AF0053SB4144 [0,2,0,0,0,0|2,0,0]=4 701 B15R1.3960 CCOC(=O)C(=O)Nc1ncccc1C WXVL_AF0013SB4144 [0,2,0,0,0,0|2,0,0]=4 702 B15R1.3960 CCOC(=O)C(=O)Nc1ncccc1C WXVL_AF0013SB4144 [0,2,0,0,0,0|2,0,0]=4 703 B15R1.3960 CCOC(=O)C(=O)Nc1ncccc1Cl WXVL_AF1147SB4144 [0,2,0,0,0,0|2,0,0]=4 704 B15R1.3960 CCOC(=O)C(=O)Nc1ncccc1Cl WXVL_AF1147SB4144 [0,2,0,0,0,0|2,0,0]=4 705 B15R1.3960 CCOC(=O)C(=O)Nc1ncccc1F WXVL_AF0321SB4144 [0,2,0,0,0,0|2,0,0]=4 706 B15R1.3960 CCOC(=O)C(=O)Nc1ncccc1F WXVL_AF0321SB4144 [0,2,0,0,0,0|2,0,0]=4 707 B15R1.3960 CCOC(=O)C(=O)Nc1ncccc1I WXVL_AF0298SB4144 [0,2,0,0,0,0|2,0,0]=4 708 B15R1.3960 CCOC(=O)C(=O)Nc1ncccc1I WXVL_AF0298SB4144 [0,2,0,0,0,0|2,0,0]=4 709 B15R1.3960 CCOC(=O)C(=O)Nc1ncccc1O WXVL_AF0347SB4144 [0,2,0,0,0,0|2,0,0]=4 710 B15R1.3960 CCOC(=O)C(=O)Nc1ncccc1O WXVL_AF0347SB4144 [0,2,0,0,0,0|2,0,0]=4 711 B15R1.78 C#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK3109SB0115 [0,2,0,0,0,0|1,0,0]=3 712 B15R1.78 C#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK3109SB0115 [0,2,0,0,0,0|1,0,0]=3 713 B15R1.78 C#CCCNC(=O)/C=C/c1cccnc1 WXVL_AK3109SA0193 [0,2,0,0,0,0|2,0,0]=4 714 B15R1.78 C#CCCNC(=O)/C=C/c1cccnc1 WXVL_AK3109SA0193 [0,2,0,0,0,0|2,0,0]=4 715 B15R1.78 C=CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00138SB0115 [0,2,0,0,0,0|1,0,0]=3 716 B15R1.78 C=CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00138SB0115 [0,2,0,0,0,0|1,0,0]=3 717 B15R1.78 C=CCCNC(=O)/C=C/c1cccnc1 WXVL_AK00138SA0193 [0,2,0,0,0,0|2,0,0]=4 718 B15R1.78 C=CCCNC(=O)/C=C/c1cccnc1 WXVL_AK00138SA0193 [0,2,0,0,0,0|2,0,0]=4 719 B15R1.78 CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00588SB0115 [0,2,0,0,0,0|1,0,0]=3 720 B15R1.78 CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00588SB0115 [0,2,0,0,0,0|1,0,0]=3 721 B15R1.78 CCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00588SA0193 [0,2,0,0,0,0|2,0,0]=4 722 B15R1.78 CCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00588SA0193 [0,2,0,0,0,0|2,0,0]=4 723 B15R1.78 CCO/C=C/C(=O)NCc1ccccc1 WXVL_AK00502SB3226 [0,2,0,0,0,0|1,0,1]=4 724 B15R1.78 CCO/C=C/C(=O)NCc1ccccc1 WXVL_AK00502SB3226 [0,2,0,0,0,0|1,0,1]=4 725 B15R1.78 CSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00440SB0115 [0,2,0,0,0,0|1,0,0]=3 726 B15R1.78 CSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00440SB0115 [0,2,0,0,0,0|1,0,0]=3 727 B15R1.78 CSCCNC(=O)/C=C/c1cccnc1 WXVL_AK00440SA0193 [0,2,0,0,0,0|2,0,0]=4 728 B15R1.78 CSCCNC(=O)/C=C/c1cccnc1 WXVL_AK00440SA0193 [0,2,0,0,0,0|2,0,0]=4 729 B15R1.78 N#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK0087SB0115 [0,2,0,0,0,0|1,0,0]=3 730 B15R1.78 N#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK0087SB0115 [0,2,0,0,0,0|1,0,0]=3 731 B15R1.78 N#CCCNC(=O)/C=C/c1cccnc1 WXVL_AK0087SA0193 [0,2,0,0,0,0|2,0,0]=4 732 B15R1.78 N#CCCNC(=O)/C=C/c1cccnc1 WXVL_AK0087SA0193 [0,2,0,0,0,0|2,0,0]=4 733 B15R1.78 O=C(/C=C/c1ccccc1)NCCCO WXVL_AK0073SB0115 [0,2,0,0,0,0|1,0,0]=3 734 B15R1.78 O=C(/C=C/c1ccccc1)NCCCO WXVL_AK0073SB0115 [0,2,0,0,0,0|1,0,0]=3 735 B15R1.78 O=C(/C=C/c1cccnc1)NCCCO WXVL_AK0073SA0193 [0,2,0,0,0,0|2,0,0]=4 736 B15R1.78 O=C(/C=C/c1cccnc1)NCCCO WXVL_AK0073SA0193 [0,2,0,0,0,0|2,0,0]=4 737 B15R1.139 C=CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00561SB0418 [0,2,0,0,0,0|1,0,1]=4 738 B15R1.139 C=CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00561SB0418 [0,2,0,0,0,0|1,0,1]=4 739 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00561SB1122 [0,2,0,0,0,0|1,0,1]=4 740 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00561SB1122 [0,2,0,0,0,0|1,0,1]=4 741 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00561SB0060 [0,2,0,0,0,0|1,0,1]=4 742 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00561SB0060 [0,2,0,0,0,0|1,0,1]=4 743 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00561SB0119 [0,2,0,0,0,0|1,0,1]=4 744 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00561SB0119 [0,2,0,0,0,0|1,0,1]=4 745 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00561SB1186 [0,2,0,0,0,0|1,0,1]=4 746 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00561SB1186 [0,2,0,0,0,0|1,0,1]=4 747 B15R1.139 CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00504SB0418 [0,2,0,0,0,0|1,0,0]=3 748 B15R1.139 CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00504SB0418 [0,2,0,0,0,0|1,0,0]=3 749 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00504SB1122 [0,2,0,0,0,0|1,0,0]=3 750 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00504SB1122 [0,2,0,0,0,0|1,0,0]=3 751 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00504SB0060 [0,2,0,0,0,0|1,0,0]=3 752 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00504SB0060 [0,2,0,0,0,0|1,0,0]=3 753 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00504SB0119 [0,2,0,0,0,0|1,0,0]=3 754 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00504SB0119 [0,2,0,0,0,0|1,0,0]=3 755 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00504SB1186 [0,2,0,0,0,0|1,0,0]=3 756 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00504SB1186 [0,2,0,0,0,0|1,0,0]=3 757 B15R1.139 CCOCC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0091 [0,2,0,0,0,0|1,0,1]=4 758 B15R1.139 CCOCC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0091 [0,2,0,0,0,0|1,0,1]=4 759 B15R1.139 CCOCC(=O)NCc1ccc(cc1)C WXVL_AK0048SB0091 [0,2,0,0,0,0|1,0,1]=4 760 B15R1.139 CCOCC(=O)NCc1ccc(cc1)C WXVL_AK0048SB0091 [0,2,0,0,0,0|1,0,1]=4 761 B15R1.139 CCOCC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0091 [0,2,0,0,0,0|1,0,1]=4 762 B15R1.139 CCOCC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0091 [0,2,0,0,0,0|1,0,1]=4 763 B15R1.139 CCOCC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0091 [0,2,0,0,0,0|1,0,1]=4 764 B15R1.139 CCOCC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0091 [0,2,0,0,0,0|1,0,1]=4 765 B15R1.139 CCOCC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0091 [0,2,0,0,0,0|1,0,1]=4 766 B15R1.139 CCOCC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0091 [0,2,0,0,0,0|1,0,1]=4 767 B15R1.139 CCOCC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0091 [0,2,0,0,0,0|1,0,1]=4 768 B15R1.139 CCOCC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0091 [0,2,0,0,0,0|1,0,1]=4 769 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCC#N WXVL_AK0683SB0060 [0,2,0,0,0,0|1,0,1]=4 770 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCC#N WXVL_AK0683SB0060 [0,2,0,0,0,0|1,0,1]=4 771 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF WXVL_AK00466SB0060 [0,2,0,0,0,0|1,0,0]=3 772 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF WXVL_AK00466SB0060 [0,2,0,0,0,0|1,0,0]=3 773 B15R1.139 N#CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0683SB0418 [0,2,0,0,0,0|1,0,1]=4 774 B15R1.139 N#CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0683SB0418 [0,2,0,0,0,0|1,0,1]=4 775 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0683SB1122 [0,2,0,0,0,0|1,0,1]=4 776 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0683SB1122 [0,2,0,0,0,0|1,0,1]=4 777 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0683SB0119 [0,2,0,0,0,0|1,0,1]=4 778 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0683SB0119 [0,2,0,0,0,0|1,0,1]=4 779 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0683SB1186 [0,2,0,0,0,0|1,0,1]=4 780 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0683SB1186 [0,2,0,0,0,0|1,0,1]=4 781 B15R1.139 O=C(/C=C/c1ccc(cc1)O)NCCF WXVL_AK00466SB0418 [0,2,0,0,0,0|1,0,0]=3 782 B15R1.139 O=C(/C=C/c1ccc(cc1)O)NCCF WXVL_AK00466SB0418 [0,2,0,0,0,0|1,0,0]=3 783 B15R1.139 O=C(C=Cc1ccc(cc1)Br)NCCF WXVL_AK00466SB1122 [0,2,0,0,0,0|1,0,0]=3 784 B15R1.139 O=C(C=Cc1ccc(cc1)Br)NCCF WXVL_AK00466SB1122 [0,2,0,0,0,0|1,0,0]=3 785 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF WXVL_AK00466SB0119 [0,2,0,0,0,0|1,0,0]=3 786 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF WXVL_AK00466SB0119 [0,2,0,0,0,0|1,0,0]=3 787 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF WXVL_AK00466SB1186 [0,2,0,0,0,0|1,0,0]=3 788 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF WXVL_AK00466SB1186 [0,2,0,0,0,0|1,0,0]=3 789 B15R1.741 C#C[C@@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00735SB0115 [0,2,0,0,0,0|1,0,0]=3 790 B15R1.741 C#C[C@@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00735SB0115 [0,2,0,0,0,0|1,0,0]=3 791 B15R1.741 C#C[C@@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00735SA0193 [0,2,0,0,0,0|2,0,0]=4 792 B15R1.741 C#C[C@@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00735SA0193 [0,2,0,0,0,0|2,0,0]=4 793 B15R1.741 C=CC(C)NC(=O)/C=C/c1ccccc1 WXVL_AK00769SB0115 [0,2,0,0,0,0|1,0,0]=3 794 B15R1.741 C=CC(C)NC(=O)/C=C/c1ccccc1 WXVL_AK00769SB0115 [0,2,0,0,0,0|1,0,0]=3 795 B15R1.741 C=CC(C)NC(=O)/C=C/c1cccnc1 WXVL_AK00769SA0193 [0,2,0,0,0,0|2,0,0]=4 796 B15R1.741 C=CC(C)NC(=O)/C=C/c1cccnc1 WXVL_AK00769SA0193 [0,2,0,0,0,0|2,0,0]=4 797 B15R1.741 CC(C#N)NC(=O)/C=C/c1ccccc1 WXVL_AK00810SB0115 [0,2,0,0,0,0|1,0,0]=3 798 B15R1.741 CC(C#N)NC(=O)/C=C/c1ccccc1 WXVL_AK00810SB0115 [0,2,0,0,0,0|1,0,0]=3 799 B15R1.741 CC(C#N)NC(=O)/C=C/c1cccnc1 WXVL_AK00810SA0193 [0,2,0,0,0,0|2,0,0]=4 800 B15R1.741 CC(C#N)NC(=O)/C=C/c1cccnc1 WXVL_AK00810SA0193 [0,2,0,0,0,0|2,0,0]=4 801 B15R1.741 CC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00678SB0115 [0,2,0,0,0,0|1,0,0]=3 802 B15R1.741 CC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00678SB0115 [0,2,0,0,0,0|1,0,0]=3 803 B15R1.741 CC[C@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00678SA0193 [0,2,0,0,0,0|2,0,0]=4 804 B15R1.741 CC[C@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00678SA0193 [0,2,0,0,0,0|2,0,0]=4 805 B15R1.741 C[C@@H](CF)NC(=O)/C=C/c1ccccc1 WXVL_AK00558SB0115 [0,2,0,0,0,0|1,0,0]=3 806 B15R1.741 C[C@@H](CF)NC(=O)/C=C/c1ccccc1 WXVL_AK00558SB0115 [0,2,0,0,0,0|1,0,0]=3 807 B15R1.741 C[C@@H](CF)NC(=O)/C=C/c1cccnc1 WXVL_AK00558SA0193 [0,2,0,0,0,0|2,0,0]=4 808 B15R1.741 C[C@@H](CF)NC(=O)/C=C/c1cccnc1 WXVL_AK00558SA0193 [0,2,0,0,0,0|2,0,0]=4 809 B15R1.741 C[C@@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK0109SB0115 [0,2,0,0,0,0|1,0,0]=3 810 B15R1.741 C[C@@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK0109SB0115 [0,2,0,0,0,0|1,0,0]=3 811 B15R1.741 C[C@@H](CO)NC(=O)/C=C/c1cccnc1 WXVL_AK0109SA0193 [0,2,0,0,0,0|2,0,0]=4 812 B15R1.741 C[C@@H](CO)NC(=O)/C=C/c1cccnc1 WXVL_AK0109SA0193 [0,2,0,0,0,0|2,0,0]=4 813 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1Br WXVL_AK00561SB3065 [0,2,0,0,0,0|1,0,1]=4 814 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1Br WXVL_AK00561SB3065 [0,2,0,0,0,0|1,0,1]=4 815 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br WXVL_AK00504SB3065 [0,2,0,0,0,0|1,0,0]=3 816 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br WXVL_AK00504SB3065 [0,2,0,0,0,0|1,0,0]=3 817 B15R1.1208 CCOCC(=O)NCc1ccccc1Br WXVL_AK1632SB0091 [0,2,0,0,0,0|1,0,1]=4 818 B15R1.1208 CCOCC(=O)NCc1ccccc1Br WXVL_AK1632SB0091 [0,2,0,0,0,0|1,0,1]=4 819 B15R1.1208 CCOCC(=O)NCc1ccccc1C WXVL_AK0040SB0091 [0,2,0,0,0,0|1,0,1]=4 820 B15R1.1208 CCOCC(=O)NCc1ccccc1C WXVL_AK0040SB0091 [0,2,0,0,0,0|1,0,1]=4 821 B15R1.1208 CCOCC(=O)NCc1ccccc1Cl WXVL_AK0038SB0091 [0,2,0,0,0,0|1,0,1]=4 822 B15R1.1208 CCOCC(=O)NCc1ccccc1Cl WXVL_AK0038SB0091 [0,2,0,0,0,0|1,0,1]=4 823 B15R1.1208 CCOCC(=O)NCc1ccccc1F WXVL_AK0037SB0091 [0,2,0,0,0,0|1,0,1]=4 824 B15R1.1208 CCOCC(=O)NCc1ccccc1F WXVL_AK0037SB0091 [0,2,0,0,0,0|1,0,1]=4 825 B15R1.1208 CCOCC(=O)NCc1ccccc1I WXVL_AK3923SB0091 [0,2,0,0,0,0|1,0,1]=4 826 B15R1.1208 CCOCC(=O)NCc1ccccc1I WXVL_AK3923SB0091 [0,2,0,0,0,0|1,0,1]=4 827 B15R1.1208 CCOCC(=O)NCc1ccccc1O WXVL_AK0963SB0091 [0,2,0,0,0,0|1,0,1]=4 828 B15R1.1208 CCOCC(=O)NCc1ccccc1O WXVL_AK0963SB0091 [0,2,0,0,0,0|1,0,1]=4 829 B15R1.1208 N#CCNC(=O)C=Cc1ccccc1Br WXVL_AK0683SB3065 [0,2,0,0,0,0|1,0,1]=4 830 B15R1.1208 N#CCNC(=O)C=Cc1ccccc1Br WXVL_AK0683SB3065 [0,2,0,0,0,0|1,0,1]=4 831 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF WXVL_AK00466SB3065 [0,2,0,0,0,0|1,0,0]=3 832 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF WXVL_AK00466SB3065 [0,2,0,0,0,0|1,0,0]=3 833 B15R1.5919 C=C(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK0761SB0115 [0,2,0,0,0,0|1,0,0]=3 834 B15R1.5919 C=C(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK0761SB0115 [0,2,0,0,0,0|1,0,0]=3 835 B15R1.5919 C=C(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK0761SA0193 [0,2,0,0,0,0|2,0,0]=4 836 B15R1.5919 C=C(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK0761SA0193 [0,2,0,0,0,0|2,0,0]=4 837 B15R1.5919 CC(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00544SB0115 [0,2,0,0,0,0|1,0,0]=3 838 B15R1.5919 CC(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00544SB0115 [0,2,0,0,0,0|1,0,0]=3 839 B15R1.5919 CC(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00544SA0193 [0,2,0,0,0,0|2,0,0]=4 840 B15R1.5919 CC(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00544SA0193 [0,2,0,0,0,0|2,0,0]=4 841 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 WXVL_AK00502SB0213 [0,2,0,0,0,0|1,0,1]=4 842 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 WXVL_AK00502SB0213 [0,2,0,0,0,0|1,0,1]=4 843 B15R1.5919 CC(O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0052SB0115 [0,2,0,0,0,0|1,0,0]=3 844 B15R1.5919 CC(O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0052SB0115 [0,2,0,0,0,0|1,0,0]=3 845 B15R1.5919 CC(O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0052SA0193 [0,2,0,0,0,0|2,0,0]=4 846 B15R1.5919 CC(O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0052SA0193 [0,2,0,0,0,0|2,0,0]=4 847 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0113SB0115 [0,2,0,0,0,0|1,0,0]=3 848 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0113SB0115 [0,2,0,0,0,0|1,0,0]=3 849 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0113SA0193 [0,2,0,0,0,0|2,0,0]=4 850 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0113SA0193 [0,2,0,0,0,0|2,0,0]=4 851 B15R1.5919 NC(=O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0147SB0115 [0,2,0,0,0,0|1,0,1]=4 852 B15R1.5919 NC(=O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0147SB0115 [0,2,0,0,0,0|1,0,1]=4 853 B15R1.5919 O=C(/C=C/c1ccccc1)NCC(F)F WXVL_AK0136SB0115 [0,2,0,0,0,0|1,0,0]=3 854 B15R1.5919 O=C(/C=C/c1ccccc1)NCC(F)F WXVL_AK0136SB0115 [0,2,0,0,0,0|1,0,0]=3 855 B15R1.5919 O=C(/C=C/c1cccnc1)NCC(F)F WXVL_AK0136SA0193 [0,2,0,0,0,0|2,0,0]=4 856 B15R1.5919 O=C(/C=C/c1cccnc1)NCC(F)F WXVL_AK0136SA0193 [0,2,0,0,0,0|2,0,0]=4 857 B15R1.5934 CCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00504HU0026 [0,2,0,0,0,0|2,0,0]=4 858 B15R1.5934 CCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00504HU0026 [0,2,0,0,0,0|2,0,0]=4 859 B15R1.5934 O=S(=O)(/C=C/c1ccccc1)NCCF WXVL_AK00466HU0026 [0,2,0,0,0,0|2,0,0]=4 860 B15R1.5934 O=S(=O)(/C=C/c1ccccc1)NCCF WXVL_AK00466HU0026 [0,2,0,0,0,0|2,0,0]=4 861 B15R1.791 CCNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK00476SB5557 [0,2,0,0,0,0|1,0,0]=3 862 B15R1.791 CCNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK00476SB5557 [0,2,0,0,0,0|1,0,0]=3 863 B15R1.791 CCNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK00476SB8094 [0,2,0,0,0,0|1,0,0]=3 864 B15R1.791 CCNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK00476SB8094 [0,2,0,0,0,0|1,0,0]=3 865 B15R1.791 CCNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK00476SB1318 [0,2,0,0,0,0|1,0,0]=3 866 B15R1.791 CCNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK00476SB1318 [0,2,0,0,0,0|1,0,0]=3 867 B15R1.791 CCNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK00476SB1257 [0,2,0,0,0,0|1,0,0]=3 868 B15R1.791 CCNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK00476SB1257 [0,2,0,0,0,0|1,0,0]=3 869 B15R1.791 CCNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK00476SB0256 [0,2,0,0,0,0|1,0,0]=3 870 B15R1.791 CCNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK00476SB0256 [0,2,0,0,0,0|1,0,0]=3 871 B15R1.791 CCNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK00476SB3115 [0,2,0,0,0,0|1,0,0]=3 872 B15R1.791 CCNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK00476SB3115 [0,2,0,0,0,0|1,0,0]=3 873 B15R1.791 CCNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK00476SB0235 [0,2,0,0,0,0|1,0,0]=3 874 B15R1.791 CCNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK00476SB0235 [0,2,0,0,0,0|1,0,0]=3 875 B15R1.793 CCNC(=O)/C=C/c1ccc(cc1)OC WXVL_AK00476SB0120 [0,2,0,0,0,0|1,0,0]=3 876 B15R1.793 CCNC(=O)/C=C/c1ccc(cc1)OC WXVL_AK00476SB0120 [0,2,0,0,0,0|1,0,0]=3 877 B15R1.870 CC(C)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK0030SB0418 [0,2,0,0,0,0|1,0,0]=3 878 B15R1.870 CC(C)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK0030SB0418 [0,2,0,0,0,0|1,0,0]=3 879 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK0030SB1122 [0,2,0,0,0,0|1,0,0]=3 880 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK0030SB1122 [0,2,0,0,0,0|1,0,0]=3 881 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0030SB0119 [0,2,0,0,0,0|1,0,0]=3 882 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0030SB0119 [0,2,0,0,0,0|1,0,0]=3 883 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)F WXVL_AK0030SB1186 [0,2,0,0,0,0|1,0,0]=3 884 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)F WXVL_AK0030SB1186 [0,2,0,0,0,0|1,0,0]=3 885 B15R1.870 Cc1ccc(cc1)C=CC(=O)NC(C)C WXVL_AK0030SB0060 [0,2,0,0,0,0|1,0,0]=3 886 B15R1.870 Cc1ccc(cc1)C=CC(=O)NC(C)C WXVL_AK0030SB0060 [0,2,0,0,0,0|1,0,0]=3 887 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1Br WXVL_AK0030SB3065 [0,2,0,0,0,0|1,0,0]=3 888 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1Br WXVL_AK0030SB3065 [0,2,0,0,0,0|1,0,0]=3 889 B15R1.488 CCN(CC)C(=O)/C=C/c1ccccc1 WXVL_AN0042SB0115 [0,2,0,0,0,0|1,0,0]=3 890 B15R1.488 CCN(CC)C(=O)/C=C/c1ccccc1 WXVL_AN0042SB0115 [0,2,0,0,0,0|1,0,0]=3 891 B15R1.488 CCN(CC)C(=O)/C=C/c1cccnc1 WXVL_AN0042SA0193 [0,2,0,0,0,0|2,0,0]=4 892 B15R1.488 CCN(CC)C(=O)/C=C/c1cccnc1 WXVL_AN0042SA0193 [0,2,0,0,0,0|2,0,0]=4 893 B15R1.3678 CC(C)N(C)C(=O)/C=C/c1ccccc1 WXVL_AN0073SB0115 [0,2,0,0,0,0|1,0,0]=3 894 B15R1.3678 CC(C)N(C)C(=O)/C=C/c1ccccc1 WXVL_AN0073SB0115 [0,2,0,0,0,0|1,0,0]=3 895 B15R1.3678 CC(C)N(C)C(=O)/C=C/c1cccnc1 WXVL_AN0073SA0193 [0,2,0,0,0,0|2,0,0]=4 896 B15R1.3678 CC(C)N(C)C(=O)/C=C/c1cccnc1 WXVL_AN0073SA0193 [0,2,0,0,0,0|2,0,0]=4 897 B15R1.3465 CC(C)(C)NC(=O)/C=C/c1ccccc1 WXVL_AK0024SB0115 [0,2,0,0,0,0|1,0,0]=3 898 B15R1.3465 CC(C)(C)NC(=O)/C=C/c1ccccc1 WXVL_AK0024SB0115 [0,2,0,0,0,0|1,0,0]=3 899 B15R1.3465 CC(C)(C)NC(=O)/C=C/c1cccnc1 WXVL_AK0024SA0193 [0,2,0,0,0,0|2,0,0]=4 900 B15R1.3465 CC(C)(C)NC(=O)/C=C/c1cccnc1 WXVL_AK0024SA0193 [0,2,0,0,0,0|2,0,0]=4 901 B15R1.12240 CC(C)NS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0030HU0026 [0,2,0,0,0,0|2,0,0]=4 902 B15R1.12240 CC(C)NS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0030HU0026 [0,2,0,0,0,0|2,0,0]=4 903 B13R2.15 Cc1oncc1c2ccccc2 WXVL_LR0715BT0919 [1,0,0,1,0,0|1,0,1]=4 904 B13R2.15 Cc1oncc1c2ccccc2 WXVL_LR0715BT1115 [1,0,0,1,0,0|1,0,1]=4 905 B13R2.15 Cc1oncc1c2ccccc2 WXVL_LR0715BT2957 [1,0,0,1,0,0|1,0,1]=4 906 B13R2.444 O=C(Nc1ccccc1)C2CC2 WXVL_AG00183SB0038 [0,0,0,1,1,0|2,0,0]=4 907 B13R2.444 O=C(Nc1ccccc1)C2CC2 WXVL_AG00183SB0038 [0,0,0,1,1,0|2,0,0]=4 908 B13R2.13 O=C1C=C(CCC1)c2cccs2 WXVL_LR0498BT6400 [0,0,0,1,1,0|2,0,0]=4 909 B15R2.66 CCCc1ccc(s1)c2ccccc2 WXVL_LR0702BT0919 [0,0,0,1,0,1|1,1,0]=4 910 B15R2.66 CCCc1ccc(s1)c2ccccc2 WXVL_LR0702BT1115 [0,0,0,1,0,1|1,1,0]=4 911 B15R2.66 CCCc1ccc(s1)c2ccccc2 WXVL_LR0702BT2957 [0,0,0,1,0,1|1,1,0]=4 912 B15R2.73 CCNC(=O)c1c[nH]c2c1cccn2 WXVL_AK00476SE0048 [0,0,0,1,0,1|2,0,0]=4 913 B15R2.73 CCNC(=O)c1c[nH]c2c1cccn2 WXVL_AK00476SE0048 [0,0,0,1,0,1|2,0,0]=4 914 B15R2.73 CCNC(=O)c1c[nH]c2c1ccnc2 WXVL_AK00476SE0638 [0,0,0,1,0,1|2,0,0]=4 915 B15R2.73 CCNC(=O)c1c[nH]c2c1ccnc2 WXVL_AK00476SE0638 [0,0,0,1,0,1|2,0,0]=4 916 B15R2.73 CCNC(=O)c1cnc2n1cccc2 WXVL_AK00476SE0102 [0,0,0,1,0,1|2,0,0]=4 917 B15R2.73 CCNC(=O)c1cnc2n1cccc2 WXVL_AK00476SE0102 [0,0,0,1,0,1|2,0,0]=4 918 B15R2.73 CCNC(=O)c1cnn2c1cccc2 WXVL_AK00476SE0033 [0,0,0,1,0,1|2,0,0]=4 919 B15R2.73 CCNC(=O)c1cnn2c1cccc2 WXVL_AK00476SE0033 [0,0,0,1,0,1|2,0,0]=4 920 B15R2.73 CCNC(=O)c1coc2c1cccc2 WXVL_AK00476SE0302 [0,0,0,1,0,1|1,0,0]=3 921 B15R2.73 CCNC(=O)c1coc2c1cccc2 WXVL_AK00476SE0302 [0,0,0,1,0,1|1,0,0]=3 922 B15R2.73 CCNC(=O)c1csc2c1cccc2 WXVL_AK00476SE0108 [0,0,0,1,0,1|1,0,0]=3 923 B15R2.73 CCNC(=O)c1csc2c1cccc2 WXVL_AK00476SE0108 [0,0,0,1,0,1|1,0,0]=3 924 B15R2.73 CCNC(=O)c1n[nH]c2c1cccc2 WXVL_AK00476SE0379 [0,0,0,1,0,1|2,0,0]=4 925 B15R2.73 CCNC(=O)c1n[nH]c2c1cccc2 WXVL_AK00476SE0379 [0,0,0,1,0,1|2,0,0]=4 926 B15R2.73 CCNC(=O)c1onc2c1cccc2 WXVL_AK00476SE0896 [0,0,0,1,0,1|2,0,0]=4 927 B15R2.73 CCNC(=O)c1onc2c1cccc2 WXVL_AK00476SE0896 [0,0,0,1,0,1|2,0,0]=4 928 B15R2.1356 CCNC(=O)c1cc2ccccc2[nH]1 WXVL_AK00476SE0001 [0,1,0,1,0,0|1,0,0]=3 929 B15R2.1356 CCNC(=O)c1cc2ccccc2[nH]1 WXVL_AK00476SE0001 [0,1,0,1,0,0|1,0,0]=3 930 B15R2.1356 CCNC(=O)c1cc2ccccc2o1 WXVL_AK00476SE0105 [0,1,0,1,0,0|1,0,0]=3 931 B15R2.1356 CCNC(=O)c1cc2ccccc2o1 WXVL_AK00476SE0105 [0,1,0,1,0,0|1,0,0]=3 932 B15R2.1356 CCNC(=O)c1cc2ccccc2s1 WXVL_AK00476SE0107 [0,1,0,1,0,0|1,0,0]=3 933 B15R2.1356 CCNC(=O)c1cc2ccccc2s1 WXVL_AK00476SE0107 [0,1,0,1,0,0|1,0,0]=3 934 B15R2.1356 CCNC(=O)c1cc2ccccn2n1 WXVL_AK00476SE0030 [0,1,0,1,0,0|2,0,0]=4 935 B15R2.1356 CCNC(=O)c1cc2ccccn2n1 WXVL_AK00476SE0030 [0,1,0,1,0,0|2,0,0]=4 936 B15R2.1356 CCNC(=O)c1cc2cccnc2[nH]1 WXVL_AK00476SE0450 [0,1,0,1,0,0|2,0,0]=4 937 B15R2.1356 CCNC(=O)c1cc2cccnc2[nH]1 WXVL_AK00476SE0450 [0,1,0,1,0,0|2,0,0]=4 938 B15R2.1356 CCNC(=O)c1cc2cccnc2s1 WXVL_AK00476SE0061 [0,1,0,1,0,0|2,0,0]=4 939 B15R2.1356 CCNC(=O)c1cc2cccnc2s1 WXVL_AK00476SE0061 [0,1,0,1,0,0|2,0,0]=4 940 B15R2.1356 CCNC(=O)c1cc2cnccc2[nH]1 WXVL_AK00476SE0511 [0,1,0,1,0,0|2,0,0]=4 941 B15R2.1356 CCNC(=O)c1cc2cnccc2[nH]1 WXVL_AK00476SE0511 [0,1,0,1,0,0|2,0,0]=4 942 B15R2.1356 CCNC(=O)c1cc2ncccc2[nH]1 WXVL_AK00476SE0680 [0,1,0,1,0,0|2,0,0]=4 943 B15R2.1356 CCNC(=O)c1cc2ncccc2[nH]1 WXVL_AK00476SE0680 [0,1,0,1,0,0|2,0,0]=4 944 B15R2.1356 CCNC(=O)c1nc2ccccc2[nH]1 WXVL_AK00476SE0026 [0,1,0,1,0,0|2,0,0]=4 945 B15R2.1356 CCNC(=O)c1nc2ccccc2[nH]1 WXVL_AK00476SE0026 [0,1,0,1,0,0|2,0,0]=4 946 B15R2.1356 CCNC(=O)c1nc2ccccc2o1 WXVL_AK00476SE0704 [0,1,0,1,0,0|2,0,0]=4 947 B15R2.1356 CCNC(=O)c1nc2ccccc2o1 WXVL_AK00476SE0704 [0,1,0,1,0,0|2,0,0]=4 948 B15R2.16454 O=C(Nc1ccccc1)C(=O)C2CC2 WXVL_AG00183SB3659 [0,1,0,1,0,0|2,0,0]=4 949 B15R2.16454 O=C(Nc1ccccc1)C(=O)C2CC2 WXVL_AG00183SB3659 [0,1,0,1,0,0|2,0,0]=4 950 B15R2.24494 O=C(/C=C/c1ccccc1)NC2CC2 WXVL_AK0001SB0115 [0,1,0,1,0,0|1,0,0]=3 951 B15R2.24494 O=C(/C=C/c1ccccc1)NC2CC2 WXVL_AK0001SB0115 [0,1,0,1,0,0|1,0,0]=3 952 B15R2.24494 O=C(/C=C/c1cccnc1)NC2CC2 WXVL_AK0001SA0193 [0,1,0,1,0,0|2,0,0]=4 953 B15R2.24494 O=C(/C=C/c1cccnc1)NC2CC2 WXVL_AK0001SA0193 [0,1,0,1,0,0|2,0,0]=4 954 B15R2.1682 Cc1sc(cc1c2ccccc2)C=O WXVL_QS1755BT0919 [0,1,0,1,0,0|0,1,1]=4 955 B15R2.1682 Cc1sc(cc1c2ccccc2)C=O WXVL_QS1755BT1115 [0,1,0,1,0,0|0,1,1]=4 956 B15R2.1682 Cc1sc(cc1c2ccccc2)C=O WXVL_QS1755BT2957 [0,1,0,1,0,0|0,1,1]=4 957 B11R1.25 CNC(=O)/C=C/c1ccco1 WXVL_AK00442SA0180 [1,0,0,0,1,0|2,0,0]=4 958 B11R1.25 CNC(=O)/C=C/c1ccco1 WXVL_AK00442SA0180 [1,0,0,0,1,0|2,0,0]=4 959 B11R1.25 CNC(=O)/C=C/c1cccs1 WXVL_AK00442SA0001 [1,0,0,0,1,0|2,0,0]=4 960 B11R1.25 CNC(=O)/C=C/c1cccs1 WXVL_AK00442SA0001 [1,0,0,0,1,0|2,0,0]=4 961 B11R1.25 CNC(=O)/C=C/c1ccoc1 WXVL_AK00442SA0047 [1,0,0,0,1,0|2,0,0]=4 962 B11R1.25 CNC(=O)/C=C/c1ccoc1 WXVL_AK00442SA0047 [1,0,0,0,1,0|2,0,0]=4 963 B11R1.25 CNC(=O)/C=C/c1ccsc1 WXVL_AK00442SA0251 [1,0,0,0,1,0|2,0,0]=4 964 B11R1.25 CNC(=O)/C=C/c1ccsc1 WXVL_AK00442SA0251 [1,0,0,0,1,0|2,0,0]=4 965 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [1,0,0,0,1,0|1,0,0]=3 966 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [1,0,0,0,1,0|1,0,0]=3 967 B11R1.40 CCC(=O)Nc1ccccn1 WXVL_AF00298SB0064 [1,0,0,0,1,0|2,0,0]=4 968 B11R1.40 CCC(=O)Nc1ccccn1 WXVL_AF00298SB0064 [1,0,0,0,1,0|2,0,0]=4 969 B11R1.40 CNC(=O)Cc1ccccc1 WXVL_AK00442SB0092 [1,0,0,0,1,0|1,0,1]=4 970 B11R1.40 CNC(=O)Cc1ccccc1 WXVL_AK00442SB0092 [1,0,0,0,1,0|1,0,1]=4 971 B11R1.40 O=C(CO)Nc1ccccc1 WXVL_AG00183SB2706 [1,0,0,0,1,0|2,0,0]=4 972 B11R1.40 O=C(CO)Nc1ccccc1 WXVL_AG00183SB2706 [1,0,0,0,1,0|2,0,0]=4 973 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,0,0,0,2,0|1,0,0]=3 974 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,0,0,0,2,0|1,0,0]=3 975 B11R1.16 CCNC(=O)c1ccccn1 WXVL_AK00476SC0058 [0,0,0,0,2,0|2,0,0]=4 976 B11R1.16 CCNC(=O)c1ccccn1 WXVL_AK00476SC0058 [0,0,0,0,2,0|2,0,0]=4 977 B11R1.16 CCNC(=O)c1cccnc1 WXVL_AK00476SC0061 [0,0,0,0,2,0|2,0,0]=4 978 B11R1.16 CCNC(=O)c1cccnc1 WXVL_AK00476SC0061 [0,0,0,0,2,0|2,0,0]=4 979 B11R1.16 CCNC(=O)c1ccncc1 WXVL_AK00476SC0062 [0,0,0,0,2,0|2,0,0]=4 980 B11R1.16 CCNC(=O)c1ccncc1 WXVL_AK00476SC0062 [0,0,0,0,2,0|2,0,0]=4 981 B15R1.778 C/C=C/C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0340 [0,0,0,0,0,2|1,0,1]=4 982 B15R1.778 C/C=C/C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0340 [0,0,0,0,0,2|1,0,1]=4 983 B15R1.778 CC#CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB1240 [0,0,0,0,0,2|1,0,1]=4 984 B15R1.778 CC#CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB1240 [0,0,0,0,0,2|1,0,1]=4 985 B15R1.778 CCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0073 [0,0,0,0,0,2|1,0,0]=3 986 B15R1.778 CCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0073 [0,0,0,0,0,2|1,0,0]=3 987 B15R1.778 COCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0090 [0,0,0,0,0,2|2,0,0]=4 988 B15R1.778 COCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0090 [0,0,0,0,0,2|2,0,0]=4 989 B15R1.778 CSCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB1267 [0,0,0,0,0,2|2,0,0]=4 990 B15R1.778 CSCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB1267 [0,0,0,0,0,2|2,0,0]=4