0 B14R1.29 CCC[C@H](C)NC(=O)c1ccccc1 WXVL_AK00682SD0001 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.29 CCC[C@H](C)NC(=O)c1ccccc1 WXVL_AK00682SD0001 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.29 CCNC(=O)CC(C)c1ccccc1 WXVL_AK00476SB0419 [0,0,0,0,0,0|2,0,1]=3 3 B14R1.29 CCNC(=O)CC(C)c1ccccc1 WXVL_AK00476SB0419 [0,0,0,0,0,0|2,0,1]=3 4 B14R1.29 CCNC(=O)CC(O)c1ccccc1 WXVL_AK00476SB2325 [0,0,0,0,0,0|1,0,2]=3 5 B14R1.29 CCNC(=O)CC(O)c1ccccc1 WXVL_AK00476SB2325 [0,0,0,0,0,0|1,0,2]=3 6 B14R1.29 CCNC(=O)NC(=O)c1ccccc1 WXVL_AK00476YV0027 [0,0,0,0,0,0|2,0,0]=2 7 B14R1.29 CCNC(=O)NC(=O)c1ccccc1 WXVL_AK00476YV0027 [0,0,0,0,0,0|2,0,0]=2 8 B14R1.29 CCNC(=O)N[C@@H](C)c1ccccc1 WXVL_AK00476YV0029 [0,0,0,0,0,0|3,0,1]=4 9 B14R1.29 CCNC(=O)N[C@@H](C)c1ccccc1 WXVL_AK00476YV0029 [0,0,0,0,0,0|3,0,1]=4 10 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 WXVL_AK00476YV0061 [0,0,0,0,0,0|3,0,1]=4 11 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 WXVL_AK00476YV0061 [0,0,0,0,0,0|3,0,1]=4 12 B13R1.11 CC[C@H](C)NC(=O)c1ccccc1 WXVL_AK00678SD0001 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.11 CC[C@H](C)NC(=O)c1ccccc1 WXVL_AK00678SD0001 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.11 CNC(=O)CC(C)c1ccccc1 WXVL_AK00442SB0419 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.11 CNC(=O)CC(C)c1ccccc1 WXVL_AK00442SB0419 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.11 CNC(=O)CC(O)c1ccccc1 WXVL_AK00442SB2325 [1,0,0,0,0,0|1,0,2]=4 17 B13R1.11 CNC(=O)CC(O)c1ccccc1 WXVL_AK00442SB2325 [1,0,0,0,0,0|1,0,2]=4 18 B13R1.11 CNC(=O)NC(=O)c1ccccc1 WXVL_AK00442YV0027 [1,0,0,0,0,0|2,0,0]=3 19 B13R1.11 CNC(=O)NC(=O)c1ccccc1 WXVL_AK00442YV0027 [1,0,0,0,0,0|2,0,0]=3 20 B13R1.24 CCCCNC(=O)c1ccccc1 WXVL_AK00588SD0001 [1,0,0,0,0,0|2,0,1]=4 21 B13R1.24 CCCCNC(=O)c1ccccc1 WXVL_AK00588SD0001 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [1,0,0,0,0,0|2,0,1]=4 23 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [1,0,0,0,0,0|2,0,1]=4 24 B13R1.42 CCNC(=O)/C=C/c1ccccc1 WXVL_AK00476SB0115 [1,0,0,0,0,0|1,0,1]=3 25 B13R1.42 CCNC(=O)/C=C/c1ccccc1 WXVL_AK00476SB0115 [1,0,0,0,0,0|1,0,1]=3 26 B13R1.42 CCNC(=O)/C=C/c1cccnc1 WXVL_AK00476SA0193 [1,0,0,0,0,0|2,0,1]=4 27 B13R1.42 CCNC(=O)/C=C/c1cccnc1 WXVL_AK00476SA0193 [1,0,0,0,0,0|2,0,1]=4 28 B13R1.42 CCNC(=O)C#Cc1ccccc1 WXVL_AK00476SB0114 [1,0,0,0,0,0|1,0,2]=4 29 B13R1.42 CCNC(=O)C#Cc1ccccc1 WXVL_AK00476SB0114 [1,0,0,0,0,0|1,0,2]=4 30 B13R1.42 CCNC(=O)CCc1ccccc1 WXVL_AK00476SB0067 [1,0,0,0,0,0|1,0,1]=3 31 B13R1.42 CCNC(=O)CCc1ccccc1 WXVL_AK00476SB0067 [1,0,0,0,0,0|1,0,1]=3 32 B13R1.42 CCNC(=O)CCc1ccccn1 WXVL_AK00476SA0316 [1,0,0,0,0,0|2,0,1]=4 33 B13R1.42 CCNC(=O)CCc1ccccn1 WXVL_AK00476SA0316 [1,0,0,0,0,0|2,0,1]=4 34 B13R1.42 CCNC(=O)CCc1cccnc1 WXVL_AK00476SA0031 [1,0,0,0,0,0|2,0,1]=4 35 B13R1.42 CCNC(=O)CCc1cccnc1 WXVL_AK00476SA0031 [1,0,0,0,0,0|2,0,1]=4 36 B13R1.42 CCNC(=O)COc1ccccc1 WXVL_AK00476SB0086 [1,0,0,0,0,0|2,0,0]=3 37 B13R1.42 CCNC(=O)COc1ccccc1 WXVL_AK00476SB0086 [1,0,0,0,0,0|2,0,0]=3 38 B13R1.42 CCNC(=O)COc1cccnc1 WXVL_AK00476SA0051 [1,0,0,0,0,0|3,0,0]=4 39 B13R1.42 CCNC(=O)COc1cccnc1 WXVL_AK00476SA0051 [1,0,0,0,0,0|3,0,0]=4 40 B13R1.42 CCNC(=O)CSc1ccccc1 WXVL_AK00476SB0113 [1,0,0,0,0,0|2,0,0]=3 41 B13R1.42 CCNC(=O)CSc1ccccc1 WXVL_AK00476SB0113 [1,0,0,0,0,0|2,0,0]=3 42 B13R1.42 CCNC(=O)CSc1ccncc1 WXVL_AK00476SA0055 [1,0,0,0,0,0|3,0,0]=4 43 B13R1.42 CCNC(=O)CSc1ccncc1 WXVL_AK00476SA0055 [1,0,0,0,0,0|3,0,0]=4 44 B15R1.115 C=CCNC(=O)NC(=O)c1ccccc1 WXVL_AK00561YV0027 [0,1,0,0,0,0|2,0,1]=4 45 B15R1.115 C=CCNC(=O)NC(=O)c1ccccc1 WXVL_AK00561YV0027 [0,1,0,0,0,0|2,0,1]=4 46 B15R1.115 CC(CC(=O)NCCF)c1ccccc1 WXVL_AK00466SB0419 [0,1,0,0,0,0|2,0,1]=4 47 B15R1.115 CC(CC(=O)NCCF)c1ccccc1 WXVL_AK00466SB0419 [0,1,0,0,0,0|2,0,1]=4 48 B15R1.115 CCCNC(=O)CC(C)c1ccccc1 WXVL_AK00504SB0419 [0,1,0,0,0,0|2,0,1]=4 49 B15R1.115 CCCNC(=O)CC(C)c1ccccc1 WXVL_AK00504SB0419 [0,1,0,0,0,0|2,0,1]=4 50 B15R1.115 CCCNC(=O)CC(O)c1ccccc1 WXVL_AK00504SB2325 [0,1,0,0,0,0|1,0,2]=4 51 B15R1.115 CCCNC(=O)CC(O)c1ccccc1 WXVL_AK00504SB2325 [0,1,0,0,0,0|1,0,2]=4 52 B15R1.115 CCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00504YV0027 [0,1,0,0,0,0|2,0,0]=3 53 B15R1.115 CCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00504YV0027 [0,1,0,0,0,0|2,0,0]=3 54 B15R1.115 N#CCNC(=O)NC(=O)c1ccccc1 WXVL_AK0683YV0027 [0,1,0,0,0,0|2,0,1]=4 55 B15R1.115 N#CCNC(=O)NC(=O)c1ccccc1 WXVL_AK0683YV0027 [0,1,0,0,0,0|2,0,1]=4 56 B15R1.115 O=C(CC(O)c1ccccc1)NCCF WXVL_AK00466SB2325 [0,1,0,0,0,0|1,0,2]=4 57 B15R1.115 O=C(CC(O)c1ccccc1)NCCF WXVL_AK00466SB2325 [0,1,0,0,0,0|1,0,2]=4 58 B15R1.115 O=C(NCCF)NC(=O)c1ccccc1 WXVL_AK00466YV0027 [0,1,0,0,0,0|2,0,0]=3 59 B15R1.115 O=C(NCCF)NC(=O)c1ccccc1 WXVL_AK00466YV0027 [0,1,0,0,0,0|2,0,0]=3 60 B15R1.807 CCNC(=O)CC(C)(C)c1ccccc1 WXVL_AK00476SB0461 [0,1,0,0,0,0|2,0,1]=4 61 B15R1.807 CCNC(=O)CC(C)(C)c1ccccc1 WXVL_AK00476SB0461 [0,1,0,0,0,0|2,0,1]=4 62 B15R1.807 CCNC(=O)CS(=O)(=O)c1ccccc1 WXVL_AK00476SB9864 [0,1,0,0,0,0|2,0,0]=3 63 B15R1.807 CCNC(=O)CS(=O)(=O)c1ccccc1 WXVL_AK00476SB9864 [0,1,0,0,0,0|2,0,0]=3 64 B15R1.1076 CC(C)NC(=O)CC(C)c1ccccc1 WXVL_AK0030SB0419 [0,1,0,0,0,0|2,0,1]=4 65 B15R1.1076 CC(C)NC(=O)CC(C)c1ccccc1 WXVL_AK0030SB0419 [0,1,0,0,0,0|2,0,1]=4 66 B15R1.1076 CC(C)NC(=O)CC(O)c1ccccc1 WXVL_AK0030SB2325 [0,1,0,0,0,0|1,0,2]=4 67 B15R1.1076 CC(C)NC(=O)CC(O)c1ccccc1 WXVL_AK0030SB2325 [0,1,0,0,0,0|1,0,2]=4 68 B15R1.1076 CC(C)NC(=O)NC(=O)c1ccccc1 WXVL_AK0030YV0027 [0,1,0,0,0,0|2,0,0]=3 69 B15R1.1076 CC(C)NC(=O)NC(=O)c1ccccc1 WXVL_AK0030YV0027 [0,1,0,0,0,0|2,0,0]=3 70 B15R2.1342 CCNC(=O)C1CC1c2ccccc2 WXVL_AK00476SB2474 [0,0,0,1,0,0|2,0,1]=4 71 B15R2.1342 CCNC(=O)C1CC1c2ccccc2 WXVL_AK00476SB2474 [0,0,0,1,0,0|2,0,1]=4 72 B15R2.1342 CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 WXVL_AK00476SB3176 [0,0,0,1,0,0|2,0,1]=4 73 B15R2.1342 CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 WXVL_AK00476SB3176 [0,0,0,1,0,0|2,0,1]=4 74 B13R1.47 CCNC(=O)C(=O)c1ccccc1 WXVL_AK00476SB0050 [0,0,0,0,1,0|1,0,0]=2 75 B13R1.47 CCNC(=O)C(=O)c1ccccc1 WXVL_AK00476SB0050 [0,0,0,0,1,0|1,0,0]=2 76 B13R1.47 CCNC(=O)C(C)c1ccccc1 WXVL_AK00476SB2326 [0,0,0,0,1,0|2,0,1]=4 77 B13R1.47 CCNC(=O)C(C)c1ccccc1 WXVL_AK00476SB2326 [0,0,0,0,1,0|2,0,1]=4 78 B13R1.47 CCNC(=O)C(O)c1ccccc1 WXVL_AK00476SB0168 [0,0,0,0,1,0|1,0,2]=4 79 B13R1.47 CCNC(=O)C(O)c1ccccc1 WXVL_AK00476SB0168 [0,0,0,0,1,0|1,0,2]=4 80 B15R1.89 CCCC(=O)NCC(C)c1ccccc1 WXVL_AK00546SB0073 [0,0,0,0,0,1|2,0,1]=4 81 B15R1.89 CCCC(=O)NCC(C)c1ccccc1 WXVL_AK00546SB0073 [0,0,0,0,0,1|2,0,1]=4 82 B15R1.89 CCCC(=O)NCC(O)c1ccccc1 WXVL_AK0051SB0073 [0,0,0,0,0,1|1,0,2]=4 83 B15R1.89 CCCC(=O)NCC(O)c1ccccc1 WXVL_AK0051SB0073 [0,0,0,0,0,1|1,0,2]=4 84 B15R1.89 CCCC(=O)NC[C@@H](C)c1ccccc1 WXVL_AK00506SB0073 [0,0,0,0,0,1|2,0,1]=4 85 B15R1.89 CCCC(=O)NC[C@@H](C)c1ccccc1 WXVL_AK00506SB0073 [0,0,0,0,0,1|2,0,1]=4 86 B15R1.89 CCNC(=O)CNC(=O)c1ccccc1 WXVL_AK00476SB0466 [0,0,0,0,0,1|1,0,0]=2 87 B15R1.89 CCNC(=O)CNC(=O)c1ccccc1 WXVL_AK00476SB0466 [0,0,0,0,0,1|1,0,0]=2 88 B15R1.809 CCNC(=O)CC(C)Oc1ccccc1 WXVL_AK00476SA00047 [0,0,0,0,0,1|2,0,1]=4 89 B15R1.809 CCNC(=O)CC(C)Oc1ccccc1 WXVL_AK00476SA00047 [0,0,0,0,0,1|2,0,1]=4 90 B15R1.809 CCOC(=O)CC(=O)Nc1ccccc1 WXVL_AG00183SB3094 [0,0,0,0,0,1|0,0,0]=1 91 B15R1.809 CCOC(=O)CC(=O)Nc1ccccc1 WXVL_AG00183SB3094 [0,0,0,0,0,1|0,0,0]=1 92 B15R1.809 CCOC(=O)CC(=O)Nc1ccccn1 WXVL_AF00298SB3094 [0,0,0,0,0,1|1,0,0]=2 93 B15R1.809 CCOC(=O)CC(=O)Nc1ccccn1 WXVL_AF00298SB3094 [0,0,0,0,0,1|1,0,0]=2 94 B15R1.809 CCOC(=O)CC(=O)Nc1cccnn1 WXVL_AF0151SB3094 [0,0,0,0,0,1|2,0,0]=3 95 B15R1.809 CCOC(=O)CC(=O)Nc1cccnn1 WXVL_AF0151SB3094 [0,0,0,0,0,1|2,0,0]=3 96 B15R1.809 CCOC(=O)CC(=O)Nc1ccncn1 WXVL_AF0139SB3094 [0,0,0,0,0,1|2,0,0]=3 97 B15R1.809 CCOC(=O)CC(=O)Nc1ccncn1 WXVL_AF0139SB3094 [0,0,0,0,0,1|2,0,0]=3 98 B15R1.809 CCOC(=O)CC(=O)Nc1ccnnc1 WXVL_AF0624SB3094 [0,0,0,0,0,1|2,0,0]=3 99 B15R1.809 CCOC(=O)CC(=O)Nc1ccnnc1 WXVL_AF0624SB3094 [0,0,0,0,0,1|2,0,0]=3 100 B15R1.809 CCOC(=O)CC(=O)Nc1cnccn1 WXVL_AF0120SB3094 [0,0,0,0,0,1|2,0,0]=3 101 B15R1.809 CCOC(=O)CC(=O)Nc1cnccn1 WXVL_AF0120SB3094 [0,0,0,0,0,1|2,0,0]=3 102 B15R1.809 CCOC(=O)CC(=O)Nc1cncnc1 WXVL_AF0085SB3094 [0,0,0,0,0,1|2,0,0]=3 103 B15R1.809 CCOC(=O)CC(=O)Nc1cncnc1 WXVL_AF0085SB3094 [0,0,0,0,0,1|2,0,0]=3 104 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [2,0,0,0,0,0|1,0,1]=4 105 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [2,0,0,0,0,0|1,0,1]=4 106 B12R1.27 CNC(=O)/C=C/c1ccccc1 WXVL_AK00442SB0115 [2,0,0,0,0,0|1,0,1]=4 107 B12R1.27 CNC(=O)/C=C/c1ccccc1 WXVL_AK00442SB0115 [2,0,0,0,0,0|1,0,1]=4 108 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [2,0,0,0,0,0|1,0,1]=4 109 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [2,0,0,0,0,0|1,0,1]=4 110 B12R1.27 CNC(=O)COc1ccccc1 WXVL_AK00442SB0086 [2,0,0,0,0,0|2,0,0]=4 111 B12R1.27 CNC(=O)COc1ccccc1 WXVL_AK00442SB0086 [2,0,0,0,0,0|2,0,0]=4 112 B12R1.27 CNC(=O)CSc1ccccc1 WXVL_AK00442SB0113 [2,0,0,0,0,0|2,0,0]=4 113 B12R1.27 CNC(=O)CSc1ccccc1 WXVL_AK00442SB0113 [2,0,0,0,0,0|2,0,0]=4 114 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [2,0,0,0,0,0|1,0,1]=4 115 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [2,0,0,0,0,0|1,0,1]=4 116 B14R0.501 C=CCN(CC=C)C(=O)CC(=O)OCC WXVL_AN00537SB3094 [0,1,1,0,0,0|1,0,1]=4 117 B14R1.415 CN(C)C(=O)NC(=O)c1ccccc1 WXVL_AN0032YV0027 [1,1,0,0,0,0|2,0,0]=4 118 B14R1.415 CN(C)C(=O)NC(=O)c1ccccc1 WXVL_AN0032YV0027 [1,1,0,0,0,0|2,0,0]=4 119 B14R1.741 CNC(=O)CS(=O)(=O)c1ccccc1 WXVL_AK00442SB9864 [1,1,0,0,0,0|2,0,0]=4 120 B14R1.741 CNC(=O)CS(=O)(=O)c1ccccc1 WXVL_AK00442SB9864 [1,1,0,0,0,0|2,0,0]=4 121 B14R1.38 CCCCCNC(=O)c1ccccc1 WXVL_AK0076SD0001 [1,1,0,0,0,0|1,0,1]=4 122 B14R1.38 CCCCCNC(=O)c1ccccc1 WXVL_AK0076SD0001 [1,1,0,0,0,0|1,0,1]=4 123 B14R1.38 CCSCCNC(=O)c1ccccc1 WXVL_AK00494SD0001 [1,1,0,0,0,0|0,1,1]=4 124 B14R1.38 CCSCCNC(=O)c1ccccc1 WXVL_AK00494SD0001 [1,1,0,0,0,0|0,1,1]=4 125 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00476SB1601 [1,1,0,0,0,0|1,0,1]=4 126 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00476SB1601 [1,1,0,0,0,0|1,0,1]=4 127 B14R1.32 CCNC(=O)C=Cc1cccc(c1)O WXVL_AK00476SB0417 [1,1,0,0,0,0|1,0,1]=4 128 B14R1.32 CCNC(=O)C=Cc1cccc(c1)O WXVL_AK00476SB0417 [1,1,0,0,0,0|1,0,1]=4 129 B14R1.32 CCNC(=O)CCc1cccc(c1)Br WXVL_AK00476SB0278 [1,1,0,0,0,0|1,0,1]=4 130 B14R1.32 CCNC(=O)CCc1cccc(c1)Br WXVL_AK00476SB0278 [1,1,0,0,0,0|1,0,1]=4 131 B14R1.32 CCNC(=O)CCc1cccc(c1)C WXVL_AK00476SB1394 [1,1,0,0,0,0|1,0,1]=4 132 B14R1.32 CCNC(=O)CCc1cccc(c1)C WXVL_AK00476SB1394 [1,1,0,0,0,0|1,0,1]=4 133 B14R1.32 CCNC(=O)CCc1cccc(c1)O WXVL_AK00476SB3088 [1,1,0,0,0,0|1,0,1]=4 134 B14R1.32 CCNC(=O)CCc1cccc(c1)O WXVL_AK00476SB3088 [1,1,0,0,0,0|1,0,1]=4 135 B14R1.32 CCNC(=O)COc1cccc(c1)Cl WXVL_AK00476SB0493 [1,1,0,0,0,0|2,0,0]=4 136 B14R1.32 CCNC(=O)COc1cccc(c1)Cl WXVL_AK00476SB0493 [1,1,0,0,0,0|2,0,0]=4 137 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 WXVL_AK00476SB3205 [1,1,0,0,0,0|1,0,1]=4 138 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 WXVL_AK00476SB3205 [1,1,0,0,0,0|1,0,1]=4 139 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 WXVL_AK00476SB0426 [1,1,0,0,0,0|2,0,0]=4 140 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 WXVL_AK00476SB0426 [1,1,0,0,0,0|2,0,0]=4 141 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 WXVL_AK00476SB9992 [1,1,0,0,0,0|2,0,0]=4 142 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 WXVL_AK00476SB9992 [1,1,0,0,0,0|2,0,0]=4 143 B14R1.60 CCNC(=O)[C@@H](C)Oc1ccccc1 WXVL_AK00476SB5803 [1,1,0,0,0,0|2,0,0]=4 144 B14R1.60 CCNC(=O)[C@@H](C)Oc1ccccc1 WXVL_AK00476SB5803 [1,1,0,0,0,0|2,0,0]=4 145 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB4144 [1,1,0,0,0,0|1,0,1]=4 146 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB4144 [1,1,0,0,0,0|1,0,1]=4 147 B14R1.156 CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00504SB0115 [1,1,0,0,0,0|1,0,1]=4 148 B14R1.156 CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00504SB0115 [1,1,0,0,0,0|1,0,1]=4 149 B14R1.156 CCCNC(=O)CCc1ccccc1 WXVL_AK00504SB0067 [1,1,0,0,0,0|1,0,1]=4 150 B14R1.156 CCCNC(=O)CCc1ccccc1 WXVL_AK00504SB0067 [1,1,0,0,0,0|1,0,1]=4 151 B14R1.156 CCCNC(=O)COc1ccccc1 WXVL_AK00504SB0086 [1,1,0,0,0,0|2,0,0]=4 152 B14R1.156 CCCNC(=O)COc1ccccc1 WXVL_AK00504SB0086 [1,1,0,0,0,0|2,0,0]=4 153 B14R1.156 CCCNC(=O)CSc1ccccc1 WXVL_AK00504SB0113 [1,1,0,0,0,0|2,0,0]=4 154 B14R1.156 CCCNC(=O)CSc1ccccc1 WXVL_AK00504SB0113 [1,1,0,0,0,0|2,0,0]=4 155 B14R1.156 CCOCC(=O)NCc1ccccc1 WXVL_AK00502SB0091 [1,1,0,0,0,0|1,0,1]=4 156 B14R1.156 CCOCC(=O)NCc1ccccc1 WXVL_AK00502SB0091 [1,1,0,0,0,0|1,0,1]=4 157 B14R1.156 O=C(/C=C/c1ccccc1)NCCF WXVL_AK00466SB0115 [1,1,0,0,0,0|1,0,1]=4 158 B14R1.156 O=C(/C=C/c1ccccc1)NCCF WXVL_AK00466SB0115 [1,1,0,0,0,0|1,0,1]=4 159 B14R1.156 O=C(CCc1ccccc1)NCCF WXVL_AK00466SB0067 [1,1,0,0,0,0|1,0,1]=4 160 B14R1.156 O=C(CCc1ccccc1)NCCF WXVL_AK00466SB0067 [1,1,0,0,0,0|1,0,1]=4 161 B14R1.156 O=C(COc1ccccc1)NCCF WXVL_AK00466SB0086 [1,1,0,0,0,0|2,0,0]=4 162 B14R1.156 O=C(COc1ccccc1)NCCF WXVL_AK00466SB0086 [1,1,0,0,0,0|2,0,0]=4 163 B14R1.156 O=C(CSc1ccccc1)NCCF WXVL_AK00466SB0113 [1,1,0,0,0,0|2,0,0]=4 164 B14R1.156 O=C(CSc1ccccc1)NCCF WXVL_AK00466SB0113 [1,1,0,0,0,0|2,0,0]=4 165 B14R1.502 CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00476SB0418 [1,1,0,0,0,0|1,0,1]=4 166 B14R1.502 CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00476SB0418 [1,1,0,0,0,0|1,0,1]=4 167 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00476SB1122 [1,1,0,0,0,0|1,0,1]=4 168 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00476SB1122 [1,1,0,0,0,0|1,0,1]=4 169 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00476SB0060 [1,1,0,0,0,0|1,0,1]=4 170 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00476SB0060 [1,1,0,0,0,0|1,0,1]=4 171 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00476SB0119 [1,1,0,0,0,0|1,0,1]=4 172 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00476SB0119 [1,1,0,0,0,0|1,0,1]=4 173 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00476SB1186 [1,1,0,0,0,0|1,0,1]=4 174 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00476SB1186 [1,1,0,0,0,0|1,0,1]=4 175 B14R1.502 CCNC(=O)CCc1ccc(cc1)Br WXVL_AK00476SB1166 [1,1,0,0,0,0|1,0,1]=4 176 B14R1.502 CCNC(=O)CCc1ccc(cc1)Br WXVL_AK00476SB1166 [1,1,0,0,0,0|1,0,1]=4 177 B14R1.502 CCNC(=O)CCc1ccc(cc1)C WXVL_AK00476SB0421 [1,1,0,0,0,0|1,0,1]=4 178 B14R1.502 CCNC(=O)CCc1ccc(cc1)C WXVL_AK00476SB0421 [1,1,0,0,0,0|1,0,1]=4 179 B14R1.502 CCNC(=O)CCc1ccc(cc1)F WXVL_AK00476SB1123 [1,1,0,0,0,0|1,0,1]=4 180 B14R1.502 CCNC(=O)CCc1ccc(cc1)F WXVL_AK00476SB1123 [1,1,0,0,0,0|1,0,1]=4 181 B14R1.502 CCNC(=O)CCc1ccc(cc1)O WXVL_AK00476SB2324 [1,1,0,0,0,0|1,0,1]=4 182 B14R1.502 CCNC(=O)CCc1ccc(cc1)O WXVL_AK00476SB2324 [1,1,0,0,0,0|1,0,1]=4 183 B14R1.502 CCNC(=O)COc1ccc(cc1)C WXVL_AK00476SB0138 [1,1,0,0,0,0|2,0,0]=4 184 B14R1.502 CCNC(=O)COc1ccc(cc1)C WXVL_AK00476SB0138 [1,1,0,0,0,0|2,0,0]=4 185 B14R1.502 CCNC(=O)COc1ccc(cc1)F WXVL_AK00476SB0088 [1,1,0,0,0,0|2,0,0]=4 186 B14R1.502 CCNC(=O)COc1ccc(cc1)F WXVL_AK00476SB0088 [1,1,0,0,0,0|2,0,0]=4 187 B14R1.502 CCNC(=O)COc1ccc(cc1)O WXVL_AK00476SB3388 [1,1,0,0,0,0|2,0,0]=4 188 B14R1.502 CCNC(=O)COc1ccc(cc1)O WXVL_AK00476SB3388 [1,1,0,0,0,0|2,0,0]=4 189 B14R1.502 CCNC(=O)CSc1ccc(cc1)C WXVL_AK00476SB0830 [1,1,0,0,0,0|2,0,0]=4 190 B14R1.502 CCNC(=O)CSc1ccc(cc1)C WXVL_AK00476SB0830 [1,1,0,0,0,0|2,0,0]=4 191 B14R1.598 CCNC(=O)C=Cc1ccccc1Br WXVL_AK00476SB3065 [1,1,0,0,0,0|1,0,1]=4 192 B14R1.598 CCNC(=O)C=Cc1ccccc1Br WXVL_AK00476SB3065 [1,1,0,0,0,0|1,0,1]=4 193 B14R1.598 CCNC(=O)CCc1ccccc1Br WXVL_AK00476SB1278 [1,1,0,0,0,0|1,0,1]=4 194 B14R1.598 CCNC(=O)CCc1ccccc1Br WXVL_AK00476SB1278 [1,1,0,0,0,0|1,0,1]=4 195 B14R1.598 CCNC(=O)CCc1ccccc1C WXVL_AK00476SB0422 [1,1,0,0,0,0|1,0,1]=4 196 B14R1.598 CCNC(=O)CCc1ccccc1C WXVL_AK00476SB0422 [1,1,0,0,0,0|1,0,1]=4 197 B14R1.598 CCNC(=O)CCc1ccccc1Cl WXVL_AK00476SB0140 [1,1,0,0,0,0|1,0,1]=4 198 B14R1.598 CCNC(=O)CCc1ccccc1Cl WXVL_AK00476SB0140 [1,1,0,0,0,0|1,0,1]=4 199 B14R1.598 CCNC(=O)CCc1ccccc1F WXVL_AK00476SB0008 [1,1,0,0,0,0|1,0,1]=4 200 B14R1.598 CCNC(=O)CCc1ccccc1F WXVL_AK00476SB0008 [1,1,0,0,0,0|1,0,1]=4 201 B14R1.598 CCNC(=O)COc1ccccc1C WXVL_AK00476SB0136 [1,1,0,0,0,0|2,0,0]=4 202 B14R1.598 CCNC(=O)COc1ccccc1C WXVL_AK00476SB0136 [1,1,0,0,0,0|2,0,0]=4 203 B14R1.598 CCNC(=O)COc1ccccc1F WXVL_AK00476SB0441 [1,1,0,0,0,0|2,0,0]=4 204 B14R1.598 CCNC(=O)COc1ccccc1F WXVL_AK00476SB0441 [1,1,0,0,0,0|2,0,0]=4 205 B14R1.818 CC(C)NC(=O)/C=C/c1ccccc1 WXVL_AK0030SB0115 [1,1,0,0,0,0|1,0,1]=4 206 B14R1.818 CC(C)NC(=O)/C=C/c1ccccc1 WXVL_AK0030SB0115 [1,1,0,0,0,0|1,0,1]=4 207 B14R1.818 CC(C)NC(=O)CCc1ccccc1 WXVL_AK0030SB0067 [1,1,0,0,0,0|1,0,1]=4 208 B14R1.818 CC(C)NC(=O)CCc1ccccc1 WXVL_AK0030SB0067 [1,1,0,0,0,0|1,0,1]=4 209 B14R1.818 CC(C)NC(=O)COc1ccccc1 WXVL_AK0030SB0086 [1,1,0,0,0,0|2,0,0]=4 210 B14R1.818 CC(C)NC(=O)COc1ccccc1 WXVL_AK0030SB0086 [1,1,0,0,0,0|2,0,0]=4 211 B14R1.818 CC(C)NC(=O)CSc1ccccc1 WXVL_AK0030SB0113 [1,1,0,0,0,0|2,0,0]=4 212 B14R1.818 CC(C)NC(=O)CSc1ccccc1 WXVL_AK0030SB0113 [1,1,0,0,0,0|2,0,0]=4 213 B14R1.35 CCNC(=O)C(=O)c1ccc(cc1)C WXVL_AK00476SB7750 [0,1,0,0,1,0|1,0,0]=3 214 B14R1.35 CCNC(=O)C(=O)c1ccc(cc1)C WXVL_AK00476SB7750 [0,1,0,0,1,0|1,0,0]=3 215 B14R1.35 CCNC(=O)C(=O)c1ccc(cc1)Cl WXVL_AK00476SB3791 [0,1,0,0,1,0|1,0,0]=3 216 B14R1.35 CCNC(=O)C(=O)c1ccc(cc1)Cl WXVL_AK00476SB3791 [0,1,0,0,1,0|1,0,0]=3 217 B14R1.417 CC(C)NC(=O)C(=O)c1ccccc1 WXVL_AK0030SB0050 [0,1,0,0,1,0|1,0,0]=3 218 B14R1.417 CC(C)NC(=O)C(=O)c1ccccc1 WXVL_AK0030SB0050 [0,1,0,0,1,0|1,0,0]=3 219 B16R1.58 CCNC(=O)/C=C/C(=O)c1ccc(cc1)C WXVL_AK00476SB2233 [0,1,0,0,0,1|1,0,1]=4 220 B16R1.58 CCNC(=O)/C=C/C(=O)c1ccc(cc1)C WXVL_AK00476SB2233 [0,1,0,0,0,1|1,0,1]=4 221 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)C WXVL_AK00476SB0515 [0,1,0,0,0,1|1,0,0]=3 222 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)C WXVL_AK00476SB0515 [0,1,0,0,0,1|1,0,0]=3 223 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 WXVL_AK0030SB0466 [0,1,0,0,0,1|1,0,0]=3 224 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 WXVL_AK0030SB0466 [0,1,0,0,0,1|1,0,0]=3 225 B16R1.700 C=CCNC(=O)CNC(=O)c1ccccc1 WXVL_AK00561SB0466 [0,1,0,0,0,1|1,0,1]=4 226 B16R1.700 C=CCNC(=O)CNC(=O)c1ccccc1 WXVL_AK00561SB0466 [0,1,0,0,0,1|1,0,1]=4 227 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 WXVL_AK00504SB0466 [0,1,0,0,0,1|1,0,0]=3 228 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 WXVL_AK00504SB0466 [0,1,0,0,0,1|1,0,0]=3 229 B16R1.700 CCOCC(=O)NCC(C)c1ccccc1 WXVL_AK00546SB0091 [0,1,0,0,0,1|1,0,1]=4 230 B16R1.700 CCOCC(=O)NCC(C)c1ccccc1 WXVL_AK00546SB0091 [0,1,0,0,0,1|1,0,1]=4 231 B16R1.700 CCOCC(=O)NCC(O)c1ccccc1 WXVL_AK0051SB0091 [0,1,0,0,0,1|0,0,2]=4 232 B16R1.700 CCOCC(=O)NCC(O)c1ccccc1 WXVL_AK0051SB0091 [0,1,0,0,0,1|0,0,2]=4 233 B16R1.700 CCOCC(=O)NC[C@@H](C)c1ccccc1 WXVL_AK00506SB0091 [0,1,0,0,0,1|1,0,1]=4 234 B16R1.700 CCOCC(=O)NC[C@@H](C)c1ccccc1 WXVL_AK00506SB0091 [0,1,0,0,0,1|1,0,1]=4 235 B16R1.700 N#CCNC(=O)CNC(=O)c1ccccc1 WXVL_AK0683SB0466 [0,1,0,0,0,1|1,0,1]=4 236 B16R1.700 N#CCNC(=O)CNC(=O)c1ccccc1 WXVL_AK0683SB0466 [0,1,0,0,0,1|1,0,1]=4 237 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF WXVL_AK00466SB0466 [0,1,0,0,0,1|1,0,0]=3 238 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF WXVL_AK00466SB0466 [0,1,0,0,0,1|1,0,0]=3 239 B16R1.912 CCNC(=O)C(C)NC(=O)c1ccccc1 WXVL_AK00476SB0514 [0,1,0,0,0,1|1,0,0]=3 240 B16R1.912 CCNC(=O)C(C)NC(=O)c1ccccc1 WXVL_AK00476SB0514 [0,1,0,0,0,1|1,0,0]=3 241 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1ccccc1 WXVL_AK1648SD0001 [0,1,0,0,0,1|0,0,0]=2 242 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1ccccc1 WXVL_AK1648SD0001 [0,1,0,0,0,1|0,0,0]=2 243 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1ccccn1 WXVL_AK1648SC0058 [0,1,0,0,0,1|1,0,0]=3 244 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1ccccn1 WXVL_AK1648SC0058 [0,1,0,0,0,1|1,0,0]=3 245 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1cccnc1 WXVL_AK1648SC0061 [0,1,0,0,0,1|1,0,0]=3 246 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1cccnc1 WXVL_AK1648SC0061 [0,1,0,0,0,1|1,0,0]=3 247 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1cccnn1 WXVL_AK1648SC0374 [0,1,0,0,0,1|2,0,0]=4 248 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1cccnn1 WXVL_AK1648SC0374 [0,1,0,0,0,1|2,0,0]=4 249 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1ccncc1 WXVL_AK1648SC0062 [0,1,0,0,0,1|1,0,0]=3 250 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1ccncc1 WXVL_AK1648SC0062 [0,1,0,0,0,1|1,0,0]=3 251 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1ccncn1 WXVL_AK1648SC0231 [0,1,0,0,0,1|2,0,0]=4 252 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1ccncn1 WXVL_AK1648SC0231 [0,1,0,0,0,1|2,0,0]=4 253 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1ccnnc1 WXVL_AK1648SC0064 [0,1,0,0,0,1|2,0,0]=4 254 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1ccnnc1 WXVL_AK1648SC0064 [0,1,0,0,0,1|2,0,0]=4 255 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1cncnc1 WXVL_AK1648SC0097 [0,1,0,0,0,1|2,0,0]=4 256 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1cncnc1 WXVL_AK1648SC0097 [0,1,0,0,0,1|2,0,0]=4 257 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1ncccn1 WXVL_AK1648SC0096 [0,1,0,0,0,1|2,0,0]=4 258 B16R1.912 CCOC(=O)[C@H](C)NC(=O)c1ncccn1 WXVL_AK1648SC0096 [0,1,0,0,0,1|2,0,0]=4 259 B16R1.915 CCNC(=O)CN(C)C(=O)c1ccccc1 WXVL_AK00476SB9973 [0,1,0,0,0,1|1,0,0]=3 260 B16R1.915 CCNC(=O)CN(C)C(=O)c1ccccc1 WXVL_AK00476SB9973 [0,1,0,0,0,1|1,0,0]=3 261 B16R1.1553 CCNC(=O)CCS(=O)(=O)c1ccccc1 WXVL_AK00476SB0132 [0,1,0,0,0,1|2,0,0]=4 262 B16R1.1553 CCNC(=O)CCS(=O)(=O)c1ccccc1 WXVL_AK00476SB0132 [0,1,0,0,0,1|2,0,0]=4 263 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1C WXVL_AK00476SB3300 [0,1,0,0,0,1|1,0,0]=3 264 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1C WXVL_AK00476SB3300 [0,1,0,0,0,1|1,0,0]=3 265 B16R1.955 CCNC(=O)CC(=O)Nc1ccc(cc1)F WXVL_AK00476SA00057 [0,1,0,0,0,1|1,0,0]=3 266 B16R1.955 CCNC(=O)CC(=O)Nc1ccc(cc1)F WXVL_AK00476SA00057 [0,1,0,0,0,1|1,0,0]=3 267 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB3094 [0,1,0,0,0,1|0,0,0]=2 268 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB3094 [0,1,0,0,0,1|0,0,0]=2 269 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(cc1)I WXVL_AG1742SB3094 [0,1,0,0,0,1|0,0,0]=2 270 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(cc1)I WXVL_AG1742SB3094 [0,1,0,0,0,1|0,0,0]=2 271 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(cn1)C WXVL_AF0018SB3094 [0,1,0,0,0,1|1,0,0]=3 272 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(cn1)C WXVL_AF0018SB3094 [0,1,0,0,0,1|1,0,0]=3 273 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(cn1)Cl WXVL_AF0017SB3094 [0,1,0,0,0,1|1,0,0]=3 274 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(cn1)Cl WXVL_AF0017SB3094 [0,1,0,0,0,1|1,0,0]=3 275 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(cn1)O WXVL_AF3250SB3094 [0,1,0,0,0,1|1,0,0]=3 276 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(cn1)O WXVL_AF3250SB3094 [0,1,0,0,0,1|1,0,0]=3 277 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(nc1)Br WXVL_AF0320SB3094 [0,1,0,0,0,1|1,0,0]=3 278 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(nc1)Br WXVL_AF0320SB3094 [0,1,0,0,0,1|1,0,0]=3 279 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(nc1)C WXVL_AF0076SB3094 [0,1,0,0,0,1|1,0,0]=3 280 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(nc1)C WXVL_AF0076SB3094 [0,1,0,0,0,1|1,0,0]=3 281 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(nc1)Cl WXVL_AF0323SB3094 [0,1,0,0,0,1|1,0,0]=3 282 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(nc1)Cl WXVL_AF0323SB3094 [0,1,0,0,0,1|1,0,0]=3 283 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(nc1)F WXVL_AF0400SB3094 [0,1,0,0,0,1|1,0,0]=3 284 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(nc1)F WXVL_AF0400SB3094 [0,1,0,0,0,1|1,0,0]=3 285 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(nc1)I WXVL_AF1228SB3094 [0,1,0,0,0,1|1,0,0]=3 286 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(nc1)I WXVL_AF1228SB3094 [0,1,0,0,0,1|1,0,0]=3 287 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(nc1)O WXVL_AF0322SB3094 [0,1,0,0,0,1|1,0,0]=3 288 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(nc1)O WXVL_AF0322SB3094 [0,1,0,0,0,1|1,0,0]=3 289 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(nn1)Cl WXVL_AF0134SB3094 [0,1,0,0,0,1|2,0,0]=4 290 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(nn1)Cl WXVL_AF0134SB3094 [0,1,0,0,0,1|2,0,0]=4 291 B16R1.955 CCOC(=O)CC(=O)Nc1cnc(cn1)Br WXVL_AF1109SB3094 [0,1,0,0,0,1|2,0,0]=4 292 B16R1.955 CCOC(=O)CC(=O)Nc1cnc(cn1)Br WXVL_AF1109SB3094 [0,1,0,0,0,1|2,0,0]=4 293 B16R1.955 CCOC(=O)CC(=O)Nc1cnc(cn1)C WXVL_AF0099SB3094 [0,1,0,0,0,1|2,0,0]=4 294 B16R1.955 CCOC(=O)CC(=O)Nc1cnc(cn1)C WXVL_AF0099SB3094 [0,1,0,0,0,1|2,0,0]=4 295 B16R1.955 CCOC(=O)CC(=O)Nc1cnc(cn1)Cl WXVL_AF0338SB3094 [0,1,0,0,0,1|2,0,0]=4 296 B16R1.955 CCOC(=O)CC(=O)Nc1cnc(cn1)Cl WXVL_AF0338SB3094 [0,1,0,0,0,1|2,0,0]=4 297 B16R1.955 CCOC(=O)CC(=O)Nc1cnc(cn1)I WXVL_AF0666SB3094 [0,1,0,0,0,1|2,0,0]=4 298 B16R1.955 CCOC(=O)CC(=O)Nc1cnc(cn1)I WXVL_AF0666SB3094 [0,1,0,0,0,1|2,0,0]=4 299 B16R1.955 CCOC(=O)CC(=O)Nc1cnc(nc1)Br WXVL_AF0628SB3094 [0,1,0,0,0,1|2,0,0]=4 300 B16R1.955 CCOC(=O)CC(=O)Nc1cnc(nc1)Br WXVL_AF0628SB3094 [0,1,0,0,0,1|2,0,0]=4 301 B16R1.955 CCOC(=O)CC(=O)Nc1cnc(nc1)C WXVL_AF0697SB3094 [0,1,0,0,0,1|2,0,0]=4 302 B16R1.955 CCOC(=O)CC(=O)Nc1cnc(nc1)C WXVL_AF0697SB3094 [0,1,0,0,0,1|2,0,0]=4 303 B16R1.955 CCOC(=O)CC(=O)Nc1cnc(nc1)Cl WXVL_AF0236SB3094 [0,1,0,0,0,1|2,0,0]=4 304 B16R1.955 CCOC(=O)CC(=O)Nc1cnc(nc1)Cl WXVL_AF0236SB3094 [0,1,0,0,0,1|2,0,0]=4 305 B16R1.955 CCOC(=O)CC(=O)Nc1ncc(cn1)F WXVL_AF4152SB3094 [0,1,0,0,0,1|2,0,0]=4 306 B16R1.955 CCOC(=O)CC(=O)Nc1ncc(cn1)F WXVL_AF4152SB3094 [0,1,0,0,0,1|2,0,0]=4 307 B16R1.956 CCOC(=O)CC(=O)Nc1cc(ccn1)Cl WXVL_AF3296SB3094 [0,1,0,0,0,1|1,0,0]=3 308 B16R1.956 CCOC(=O)CC(=O)Nc1cc(ccn1)Cl WXVL_AF3296SB3094 [0,1,0,0,0,1|1,0,0]=3 309 B16R1.956 CCOC(=O)CC(=O)Nc1cc(ccn1)F WXVL_AF0152SB3094 [0,1,0,0,0,1|1,0,0]=3 310 B16R1.956 CCOC(=O)CC(=O)Nc1cc(ccn1)F WXVL_AF0152SB3094 [0,1,0,0,0,1|1,0,0]=3 311 B16R1.956 CCOC(=O)CC(=O)Nc1cc(ccn1)O WXVL_AF3303SB3094 [0,1,0,0,0,1|1,0,0]=3 312 B16R1.956 CCOC(=O)CC(=O)Nc1cc(ccn1)O WXVL_AF3303SB3094 [0,1,0,0,0,1|1,0,0]=3 313 B16R1.956 CCOC(=O)CC(=O)Nc1cc(cnn1)C WXVL_AF4009SB3094 [0,1,0,0,0,1|2,0,0]=4 314 B16R1.956 CCOC(=O)CC(=O)Nc1cc(cnn1)C WXVL_AF4009SB3094 [0,1,0,0,0,1|2,0,0]=4 315 B16R1.956 CCOC(=O)CC(=O)Nc1cc(cnn1)Cl WXVL_AF9282SB3094 [0,1,0,0,0,1|2,0,0]=4 316 B16R1.956 CCOC(=O)CC(=O)Nc1cc(cnn1)Cl WXVL_AF9282SB3094 [0,1,0,0,0,1|2,0,0]=4 317 B16R1.956 CCOC(=O)CC(=O)Nc1cc(ncn1)I WXVL_AF4094SB3094 [0,1,0,0,0,1|2,0,0]=4 318 B16R1.956 CCOC(=O)CC(=O)Nc1cc(ncn1)I WXVL_AF4094SB3094 [0,1,0,0,0,1|2,0,0]=4 319 B16R1.956 CCOC(=O)CC(=O)Nc1cc(ncn1)O WXVL_AF0437SB3094 [0,1,0,0,0,1|2,0,0]=4 320 B16R1.956 CCOC(=O)CC(=O)Nc1cc(ncn1)O WXVL_AF0437SB3094 [0,1,0,0,0,1|2,0,0]=4 321 B16R1.956 CCOC(=O)CC(=O)Nc1cc[nH]c(=O)c1 WXVL_AK8414SB3094 [0,1,0,0,0,1|1,0,0]=3 322 B16R1.956 CCOC(=O)CC(=O)Nc1cc[nH]c(=O)c1 WXVL_AK8414SB3094 [0,1,0,0,0,1|1,0,0]=3 323 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(c1)C WXVL_AG0052SB3094 [0,1,0,0,0,1|0,0,0]=2 324 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(c1)C WXVL_AG0052SB3094 [0,1,0,0,0,1|0,0,0]=2 325 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(c1)I WXVL_AG0649SB3094 [0,1,0,0,0,1|0,0,0]=2 326 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(c1)I WXVL_AG0649SB3094 [0,1,0,0,0,1|0,0,0]=2 327 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(c1)O WXVL_AG00200SB3094 [0,1,0,0,0,1|0,0,0]=2 328 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(c1)O WXVL_AG00200SB3094 [0,1,0,0,0,1|0,0,0]=2 329 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(n1)Br WXVL_AF0038SB3094 [0,1,0,0,0,1|1,0,0]=3 330 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(n1)Br WXVL_AF0038SB3094 [0,1,0,0,0,1|1,0,0]=3 331 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(n1)C WXVL_AF0019SB3094 [0,1,0,0,0,1|1,0,0]=3 332 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(n1)C WXVL_AF0019SB3094 [0,1,0,0,0,1|1,0,0]=3 333 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(n1)Cl WXVL_AF0312SB3094 [0,1,0,0,0,1|1,0,0]=3 334 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(n1)Cl WXVL_AF0312SB3094 [0,1,0,0,0,1|1,0,0]=3 335 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(n1)F WXVL_AF0307SB3094 [0,1,0,0,0,1|1,0,0]=3 336 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(n1)F WXVL_AF0307SB3094 [0,1,0,0,0,1|1,0,0]=3 337 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(n1)I WXVL_AF0430SB3094 [0,1,0,0,0,1|1,0,0]=3 338 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(n1)I WXVL_AF0430SB3094 [0,1,0,0,0,1|1,0,0]=3 339 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(n1)O WXVL_AF2469SB3094 [0,1,0,0,0,1|1,0,0]=3 340 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(n1)O WXVL_AF2469SB3094 [0,1,0,0,0,1|1,0,0]=3 341 B16R1.956 CCOC(=O)CC(=O)Nc1ccnc(c1)Br WXVL_AF0395SB3094 [0,1,0,0,0,1|1,0,0]=3 342 B16R1.956 CCOC(=O)CC(=O)Nc1ccnc(c1)Br WXVL_AF0395SB3094 [0,1,0,0,0,1|1,0,0]=3 343 B16R1.956 CCOC(=O)CC(=O)Nc1ccnc(c1)Cl WXVL_AF0319SB3094 [0,1,0,0,0,1|1,0,0]=3 344 B16R1.956 CCOC(=O)CC(=O)Nc1ccnc(c1)Cl WXVL_AF0319SB3094 [0,1,0,0,0,1|1,0,0]=3 345 B16R1.956 CCOC(=O)CC(=O)Nc1ccnc(c1)F WXVL_AF0676SB3094 [0,1,0,0,0,1|1,0,0]=3 346 B16R1.956 CCOC(=O)CC(=O)Nc1ccnc(c1)F WXVL_AF0676SB3094 [0,1,0,0,0,1|1,0,0]=3 347 B16R1.956 CCOC(=O)CC(=O)Nc1ccnc(c1)O WXVL_AF0326SB3094 [0,1,0,0,0,1|1,0,0]=3 348 B16R1.956 CCOC(=O)CC(=O)Nc1ccnc(c1)O WXVL_AF0326SB3094 [0,1,0,0,0,1|1,0,0]=3 349 B16R1.956 CCOC(=O)CC(=O)Nc1ccnc(n1)Br WXVL_AF4089SB3094 [0,1,0,0,0,1|2,0,0]=4 350 B16R1.956 CCOC(=O)CC(=O)Nc1ccnc(n1)Br WXVL_AF4089SB3094 [0,1,0,0,0,1|2,0,0]=4 351 B16R1.956 CCOC(=O)CC(=O)Nc1ccnc(n1)C WXVL_AF0132SB3094 [0,1,0,0,0,1|2,0,0]=4 352 B16R1.956 CCOC(=O)CC(=O)Nc1ccnc(n1)C WXVL_AF0132SB3094 [0,1,0,0,0,1|2,0,0]=4 353 B16R1.956 CCOC(=O)CC(=O)Nc1cncc(c1)Br WXVL_AF0318SB3094 [0,1,0,0,0,1|1,0,0]=3 354 B16R1.956 CCOC(=O)CC(=O)Nc1cncc(c1)Br WXVL_AF0318SB3094 [0,1,0,0,0,1|1,0,0]=3 355 B16R1.956 CCOC(=O)CC(=O)Nc1cncc(c1)C WXVL_AF0136SB3094 [0,1,0,0,0,1|1,0,0]=3 356 B16R1.956 CCOC(=O)CC(=O)Nc1cncc(c1)C WXVL_AF0136SB3094 [0,1,0,0,0,1|1,0,0]=3 357 B16R1.956 CCOC(=O)CC(=O)Nc1cncc(c1)Cl WXVL_AF0629SB3094 [0,1,0,0,0,1|1,0,0]=3 358 B16R1.956 CCOC(=O)CC(=O)Nc1cncc(c1)Cl WXVL_AF0629SB3094 [0,1,0,0,0,1|1,0,0]=3 359 B16R1.956 CCOC(=O)CC(=O)Nc1cncc(c1)F WXVL_AF0342SB3094 [0,1,0,0,0,1|1,0,0]=3 360 B16R1.956 CCOC(=O)CC(=O)Nc1cncc(c1)F WXVL_AF0342SB3094 [0,1,0,0,0,1|1,0,0]=3 361 B16R1.956 CCOC(=O)CC(=O)Nc1cncc(c1)O WXVL_AF0659SB3094 [0,1,0,0,0,1|1,0,0]=3 362 B16R1.956 CCOC(=O)CC(=O)Nc1cncc(c1)O WXVL_AF0659SB3094 [0,1,0,0,0,1|1,0,0]=3 363 B16R1.956 CCOC(=O)CC(=O)Nc1cncc(n1)Br WXVL_AF0737SB3094 [0,1,0,0,0,1|2,0,0]=4 364 B16R1.956 CCOC(=O)CC(=O)Nc1cncc(n1)Br WXVL_AF0737SB3094 [0,1,0,0,0,1|2,0,0]=4 365 B16R1.956 CCOC(=O)CC(=O)Nc1cncc(n1)C WXVL_AF0077SB3094 [0,1,0,0,0,1|2,0,0]=4 366 B16R1.956 CCOC(=O)CC(=O)Nc1cncc(n1)C WXVL_AF0077SB3094 [0,1,0,0,0,1|2,0,0]=4 367 B16R1.956 CCOC(=O)CC(=O)Nc1cncc(n1)Cl WXVL_AF0366SB3094 [0,1,0,0,0,1|2,0,0]=4 368 B16R1.956 CCOC(=O)CC(=O)Nc1cncc(n1)Cl WXVL_AF0366SB3094 [0,1,0,0,0,1|2,0,0]=4 369 B16R1.956 CCOC(=O)CC(=O)Nc1cnnc(c1)Cl WXVL_AF0119SB3094 [0,1,0,0,0,1|2,0,0]=4 370 B16R1.956 CCOC(=O)CC(=O)Nc1cnnc(c1)Cl WXVL_AF0119SB3094 [0,1,0,0,0,1|2,0,0]=4 371 B16R1.956 CCOC(=O)CC(=O)Nc1nccc(n1)I WXVL_AF4291SB3094 [0,1,0,0,0,1|2,0,0]=4 372 B16R1.956 CCOC(=O)CC(=O)Nc1nccc(n1)I WXVL_AF4291SB3094 [0,1,0,0,0,1|2,0,0]=4 373 B16R1.2180 CCOC(=O)CS(=O)(=O)Nc1ccccc1 WXVL_AG00183HU0462 [0,1,0,0,0,1|1,0,0]=3 374 B16R1.2180 CCOC(=O)CS(=O)(=O)Nc1ccccc1 WXVL_AG00183HU0462 [0,1,0,0,0,1|1,0,0]=3 375 B16R1.2180 CCOC(=O)CS(=O)(=O)Nc1ccccn1 WXVL_AF00298HU0462 [0,1,0,0,0,1|2,0,0]=4 376 B16R1.2180 CCOC(=O)CS(=O)(=O)Nc1ccccn1 WXVL_AF00298HU0462 [0,1,0,0,0,1|2,0,0]=4 377 B16R1.4235 CCOC(=O)CC(=O)Nc1ccccc1Br WXVL_AG00180SB3094 [0,1,0,0,0,1|0,0,0]=2 378 B16R1.4235 CCOC(=O)CC(=O)Nc1ccccc1Br WXVL_AG00180SB3094 [0,1,0,0,0,1|0,0,0]=2 379 B16R1.4235 CCOC(=O)CC(=O)Nc1ccccc1C WXVL_AG0027SB3094 [0,1,0,0,0,1|0,0,0]=2 380 B16R1.4235 CCOC(=O)CC(=O)Nc1ccccc1C WXVL_AG0027SB3094 [0,1,0,0,0,1|0,0,0]=2 381 B16R1.4235 CCOC(=O)CC(=O)Nc1ccccc1Cl WXVL_AG00129SB3094 [0,1,0,0,0,1|0,0,0]=2 382 B16R1.4235 CCOC(=O)CC(=O)Nc1ccccc1Cl WXVL_AG00129SB3094 [0,1,0,0,0,1|0,0,0]=2 383 B16R1.4235 CCOC(=O)CC(=O)Nc1ccccc1I WXVL_AG0385SB3094 [0,1,0,0,0,1|0,0,0]=2 384 B16R1.4235 CCOC(=O)CC(=O)Nc1ccccc1I WXVL_AG0385SB3094 [0,1,0,0,0,1|0,0,0]=2 385 B16R1.4235 CCOC(=O)CC(=O)Nc1cccnc1Br WXVL_AF0399SB3094 [0,1,0,0,0,1|1,0,0]=3 386 B16R1.4235 CCOC(=O)CC(=O)Nc1cccnc1Br WXVL_AF0399SB3094 [0,1,0,0,0,1|1,0,0]=3 387 B16R1.4235 CCOC(=O)CC(=O)Nc1cccnc1C WXVL_AF0055SB3094 [0,1,0,0,0,1|1,0,0]=3 388 B16R1.4235 CCOC(=O)CC(=O)Nc1cccnc1C WXVL_AF0055SB3094 [0,1,0,0,0,1|1,0,0]=3 389 B16R1.4235 CCOC(=O)CC(=O)Nc1cccnc1Cl WXVL_AF0009SB3094 [0,1,0,0,0,1|1,0,0]=3 390 B16R1.4235 CCOC(=O)CC(=O)Nc1cccnc1Cl WXVL_AF0009SB3094 [0,1,0,0,0,1|1,0,0]=3 391 B16R1.4235 CCOC(=O)CC(=O)Nc1cccnc1F WXVL_AF0419SB3094 [0,1,0,0,0,1|1,0,0]=3 392 B16R1.4235 CCOC(=O)CC(=O)Nc1cccnc1F WXVL_AF0419SB3094 [0,1,0,0,0,1|1,0,0]=3 393 B16R1.4235 CCOC(=O)CC(=O)Nc1cccnc1I WXVL_AF0681SB3094 [0,1,0,0,0,1|1,0,0]=3 394 B16R1.4235 CCOC(=O)CC(=O)Nc1cccnc1I WXVL_AF0681SB3094 [0,1,0,0,0,1|1,0,0]=3 395 B16R1.4235 CCOC(=O)CC(=O)Nc1cccnc1O WXVL_AF0440SB3094 [0,1,0,0,0,1|1,0,0]=3 396 B16R1.4235 CCOC(=O)CC(=O)Nc1cccnc1O WXVL_AF0440SB3094 [0,1,0,0,0,1|1,0,0]=3 397 B16R1.4235 CCOC(=O)CC(=O)Nc1ccncc1C WXVL_AF0049SB3094 [0,1,0,0,0,1|1,0,0]=3 398 B16R1.4235 CCOC(=O)CC(=O)Nc1ccncc1C WXVL_AF0049SB3094 [0,1,0,0,0,1|1,0,0]=3 399 B16R1.4235 CCOC(=O)CC(=O)Nc1ccncc1Cl WXVL_AF3285SB3094 [0,1,0,0,0,1|1,0,0]=3 400 B16R1.4235 CCOC(=O)CC(=O)Nc1ccncc1Cl WXVL_AF3285SB3094 [0,1,0,0,0,1|1,0,0]=3 401 B16R1.4235 CCOC(=O)CC(=O)Nc1ccncc1F WXVL_AF2713SB3094 [0,1,0,0,0,1|1,0,0]=3 402 B16R1.4235 CCOC(=O)CC(=O)Nc1ccncc1F WXVL_AF2713SB3094 [0,1,0,0,0,1|1,0,0]=3 403 B16R1.4235 CCOC(=O)CC(=O)Nc1ccncc1O WXVL_AF0234SB3094 [0,1,0,0,0,1|1,0,0]=3 404 B16R1.4235 CCOC(=O)CC(=O)Nc1ccncc1O WXVL_AF0234SB3094 [0,1,0,0,0,1|1,0,0]=3 405 B16R1.4235 CCOC(=O)CC(=O)Nc1ccnnc1O WXVL_AF1433SB3094 [0,1,0,0,0,1|2,0,0]=4 406 B16R1.4235 CCOC(=O)CC(=O)Nc1ccnnc1O WXVL_AF1433SB3094 [0,1,0,0,0,1|2,0,0]=4 407 B16R1.4235 CCOC(=O)CC(=O)Nc1cnccc1Br WXVL_AF1085SB3094 [0,1,0,0,0,1|1,0,0]=3 408 B16R1.4235 CCOC(=O)CC(=O)Nc1cnccc1Br WXVL_AF1085SB3094 [0,1,0,0,0,1|1,0,0]=3 409 B16R1.4235 CCOC(=O)CC(=O)Nc1cnccc1C WXVL_AF0075SB3094 [0,1,0,0,0,1|1,0,0]=3 410 B16R1.4235 CCOC(=O)CC(=O)Nc1cnccc1C WXVL_AF0075SB3094 [0,1,0,0,0,1|1,0,0]=3 411 B16R1.4235 CCOC(=O)CC(=O)Nc1cnccc1Cl WXVL_AF0294SB3094 [0,1,0,0,0,1|1,0,0]=3 412 B16R1.4235 CCOC(=O)CC(=O)Nc1cnccc1Cl WXVL_AF0294SB3094 [0,1,0,0,0,1|1,0,0]=3 413 B16R1.4235 CCOC(=O)CC(=O)Nc1cnccc1I WXVL_AF0133SB3094 [0,1,0,0,0,1|1,0,0]=3 414 B16R1.4235 CCOC(=O)CC(=O)Nc1cnccc1I WXVL_AF0133SB3094 [0,1,0,0,0,1|1,0,0]=3 415 B16R1.4235 CCOC(=O)CC(=O)Nc1cncnc1Br WXVL_AF0648SB3094 [0,1,0,0,0,1|2,0,0]=4 416 B16R1.4235 CCOC(=O)CC(=O)Nc1cncnc1Br WXVL_AF0648SB3094 [0,1,0,0,0,1|2,0,0]=4 417 B16R1.4235 CCOC(=O)CC(=O)Nc1cncnc1C WXVL_AF0738SB3094 [0,1,0,0,0,1|2,0,0]=4 418 B16R1.4235 CCOC(=O)CC(=O)Nc1cncnc1C WXVL_AF0738SB3094 [0,1,0,0,0,1|2,0,0]=4 419 B16R1.4235 CCOC(=O)CC(=O)Nc1cncnc1Cl WXVL_AF0353SB3094 [0,1,0,0,0,1|2,0,0]=4 420 B16R1.4235 CCOC(=O)CC(=O)Nc1cncnc1Cl WXVL_AF0353SB3094 [0,1,0,0,0,1|2,0,0]=4 421 B16R1.4235 CCOC(=O)CC(=O)Nc1cncnc1I WXVL_AF1297SB3094 [0,1,0,0,0,1|2,0,0]=4 422 B16R1.4235 CCOC(=O)CC(=O)Nc1cncnc1I WXVL_AF1297SB3094 [0,1,0,0,0,1|2,0,0]=4 423 B16R1.4235 CCOC(=O)CC(=O)Nc1cncnc1O WXVL_AF1656SB3094 [0,1,0,0,0,1|2,0,0]=4 424 B16R1.4235 CCOC(=O)CC(=O)Nc1cncnc1O WXVL_AF1656SB3094 [0,1,0,0,0,1|2,0,0]=4 425 B16R1.4235 CCOC(=O)CC(=O)Nc1cnncc1Br WXVL_AF1355SB3094 [0,1,0,0,0,1|2,0,0]=4 426 B16R1.4235 CCOC(=O)CC(=O)Nc1cnncc1Br WXVL_AF1355SB3094 [0,1,0,0,0,1|2,0,0]=4 427 B16R1.4235 CCOC(=O)CC(=O)Nc1cnncc1Cl WXVL_AF1037SB3094 [0,1,0,0,0,1|2,0,0]=4 428 B16R1.4235 CCOC(=O)CC(=O)Nc1cnncc1Cl WXVL_AF1037SB3094 [0,1,0,0,0,1|2,0,0]=4 429 B16R1.4235 CCOC(=O)CC(=O)Nc1ncccc1Br WXVL_AF0053SB3094 [0,1,0,0,0,1|1,0,0]=3 430 B16R1.4235 CCOC(=O)CC(=O)Nc1ncccc1Br WXVL_AF0053SB3094 [0,1,0,0,0,1|1,0,0]=3 431 B16R1.4235 CCOC(=O)CC(=O)Nc1ncccc1C WXVL_AF0013SB3094 [0,1,0,0,0,1|1,0,0]=3 432 B16R1.4235 CCOC(=O)CC(=O)Nc1ncccc1C WXVL_AF0013SB3094 [0,1,0,0,0,1|1,0,0]=3 433 B16R1.4235 CCOC(=O)CC(=O)Nc1ncccc1Cl WXVL_AF1147SB3094 [0,1,0,0,0,1|1,0,0]=3 434 B16R1.4235 CCOC(=O)CC(=O)Nc1ncccc1Cl WXVL_AF1147SB3094 [0,1,0,0,0,1|1,0,0]=3 435 B16R1.4235 CCOC(=O)CC(=O)Nc1ncccc1F WXVL_AF0321SB3094 [0,1,0,0,0,1|1,0,0]=3 436 B16R1.4235 CCOC(=O)CC(=O)Nc1ncccc1F WXVL_AF0321SB3094 [0,1,0,0,0,1|1,0,0]=3 437 B16R1.4235 CCOC(=O)CC(=O)Nc1ncccc1I WXVL_AF0298SB3094 [0,1,0,0,0,1|1,0,0]=3 438 B16R1.4235 CCOC(=O)CC(=O)Nc1ncccc1I WXVL_AF0298SB3094 [0,1,0,0,0,1|1,0,0]=3 439 B16R1.4235 CCOC(=O)CC(=O)Nc1ncccc1O WXVL_AF0347SB3094 [0,1,0,0,0,1|1,0,0]=3 440 B16R1.4235 CCOC(=O)CC(=O)Nc1ncccc1O WXVL_AF0347SB3094 [0,1,0,0,0,1|1,0,0]=3 441 B16R1.4235 CCOC(=O)CC(=O)Nc1nccnc1Br WXVL_AF0708SB3094 [0,1,0,0,0,1|2,0,0]=4 442 B16R1.4235 CCOC(=O)CC(=O)Nc1nccnc1Br WXVL_AF0708SB3094 [0,1,0,0,0,1|2,0,0]=4 443 B16R1.4235 CCOC(=O)CC(=O)Nc1nccnc1C WXVL_AF0295SB3094 [0,1,0,0,0,1|2,0,0]=4 444 B16R1.4235 CCOC(=O)CC(=O)Nc1nccnc1C WXVL_AF0295SB3094 [0,1,0,0,0,1|2,0,0]=4 445 B16R1.4235 CCOC(=O)CC(=O)Nc1nccnc1Cl WXVL_AF0102SB3094 [0,1,0,0,0,1|2,0,0]=4 446 B16R1.4235 CCOC(=O)CC(=O)Nc1nccnc1Cl WXVL_AF0102SB3094 [0,1,0,0,0,1|2,0,0]=4 447 B16R1.4235 CCOC(=O)CC(=O)Nc1ncncc1Cl WXVL_AF0145SB3094 [0,1,0,0,0,1|2,0,0]=4 448 B16R1.4235 CCOC(=O)CC(=O)Nc1ncncc1Cl WXVL_AF0145SB3094 [0,1,0,0,0,1|2,0,0]=4 449 B16R1.953 CCNC(=O)CS(=O)(=O)c1ccc(cc1)C WXVL_AK00476SB0146 [0,2,0,0,0,0|2,0,0]=4 450 B16R1.953 CCNC(=O)CS(=O)(=O)c1ccc(cc1)C WXVL_AK00476SB0146 [0,2,0,0,0,0|2,0,0]=4 451 B16R1.35 C#CCCNC(=O)NC(=O)c1ccccc1 WXVL_AK3109YV0027 [0,2,0,0,0,0|2,0,0]=4 452 B16R1.35 C#CCCNC(=O)NC(=O)c1ccccc1 WXVL_AK3109YV0027 [0,2,0,0,0,0|2,0,0]=4 453 B16R1.35 C=CCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00138YV0027 [0,2,0,0,0,0|2,0,0]=4 454 B16R1.35 C=CCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00138YV0027 [0,2,0,0,0,0|2,0,0]=4 455 B16R1.35 CCCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00588YV0027 [0,2,0,0,0,0|2,0,0]=4 456 B16R1.35 CCCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00588YV0027 [0,2,0,0,0,0|2,0,0]=4 457 B16R1.35 CSCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00440YV0027 [0,2,0,0,0,0|2,0,0]=4 458 B16R1.35 CSCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00440YV0027 [0,2,0,0,0,0|2,0,0]=4 459 B16R1.35 N#CCCNC(=O)NC(=O)c1ccccc1 WXVL_AK0087YV0027 [0,2,0,0,0,0|2,0,0]=4 460 B16R1.35 N#CCCNC(=O)NC(=O)c1ccccc1 WXVL_AK0087YV0027 [0,2,0,0,0,0|2,0,0]=4 461 B16R1.35 O=C(NCCCO)NC(=O)c1ccccc1 WXVL_AK0073YV0027 [0,2,0,0,0,0|2,0,0]=4 462 B16R1.35 O=C(NCCCO)NC(=O)c1ccccc1 WXVL_AK0073YV0027 [0,2,0,0,0,0|2,0,0]=4 463 B16R1.847 C#C[C@@H](C)NC(=O)NC(=O)c1ccccc1 WXVL_AK00735YV0027 [0,2,0,0,0,0|2,0,0]=4 464 B16R1.847 C#C[C@@H](C)NC(=O)NC(=O)c1ccccc1 WXVL_AK00735YV0027 [0,2,0,0,0,0|2,0,0]=4 465 B16R1.847 C=CC(C)NC(=O)NC(=O)c1ccccc1 WXVL_AK00769YV0027 [0,2,0,0,0,0|2,0,0]=4 466 B16R1.847 C=CC(C)NC(=O)NC(=O)c1ccccc1 WXVL_AK00769YV0027 [0,2,0,0,0,0|2,0,0]=4 467 B16R1.847 CC(C#N)NC(=O)NC(=O)c1ccccc1 WXVL_AK00810YV0027 [0,2,0,0,0,0|2,0,0]=4 468 B16R1.847 CC(C#N)NC(=O)NC(=O)c1ccccc1 WXVL_AK00810YV0027 [0,2,0,0,0,0|2,0,0]=4 469 B16R1.847 CC[C@H](C)NC(=O)NC(=O)c1ccccc1 WXVL_AK00678YV0027 [0,2,0,0,0,0|2,0,0]=4 470 B16R1.847 CC[C@H](C)NC(=O)NC(=O)c1ccccc1 WXVL_AK00678YV0027 [0,2,0,0,0,0|2,0,0]=4 471 B16R1.847 C[C@@H](CF)NC(=O)NC(=O)c1ccccc1 WXVL_AK00558YV0027 [0,2,0,0,0,0|2,0,0]=4 472 B16R1.847 C[C@@H](CF)NC(=O)NC(=O)c1ccccc1 WXVL_AK00558YV0027 [0,2,0,0,0,0|2,0,0]=4 473 B16R1.847 C[C@@H](CO)NC(=O)NC(=O)c1ccccc1 WXVL_AK0109YV0027 [0,2,0,0,0,0|2,0,0]=4 474 B16R1.847 C[C@@H](CO)NC(=O)NC(=O)c1ccccc1 WXVL_AK0109YV0027 [0,2,0,0,0,0|2,0,0]=4 475 B16R1.1495 CCCNC(=O)CS(=O)(=O)c1ccccc1 WXVL_AK00504SB9864 [0,2,0,0,0,0|2,0,0]=4 476 B16R1.1495 CCCNC(=O)CS(=O)(=O)c1ccccc1 WXVL_AK00504SB9864 [0,2,0,0,0,0|2,0,0]=4 477 B16R1.1495 O=C(CS(=O)(=O)c1ccccc1)NCCF WXVL_AK00466SB9864 [0,2,0,0,0,0|2,0,0]=4 478 B16R1.1495 O=C(CS(=O)(=O)c1ccccc1)NCCF WXVL_AK00466SB9864 [0,2,0,0,0,0|2,0,0]=4 479 B16R1.7611 C=C(C)CNC(=O)NC(=O)c1ccccc1 WXVL_AK0761YV0027 [0,2,0,0,0,0|2,0,0]=4 480 B16R1.7611 C=C(C)CNC(=O)NC(=O)c1ccccc1 WXVL_AK0761YV0027 [0,2,0,0,0,0|2,0,0]=4 481 B16R1.7611 CC(C)CNC(=O)NC(=O)c1ccccc1 WXVL_AK00544YV0027 [0,2,0,0,0,0|2,0,0]=4 482 B16R1.7611 CC(C)CNC(=O)NC(=O)c1ccccc1 WXVL_AK00544YV0027 [0,2,0,0,0,0|2,0,0]=4 483 B16R1.7611 CC(O)CNC(=O)NC(=O)c1ccccc1 WXVL_AK0052YV0027 [0,2,0,0,0,0|2,0,0]=4 484 B16R1.7611 CC(O)CNC(=O)NC(=O)c1ccccc1 WXVL_AK0052YV0027 [0,2,0,0,0,0|2,0,0]=4 485 B16R1.7611 C[C@H](O)CNC(=O)NC(=O)c1ccccc1 WXVL_AK0113YV0027 [0,2,0,0,0,0|2,0,0]=4 486 B16R1.7611 C[C@H](O)CNC(=O)NC(=O)c1ccccc1 WXVL_AK0113YV0027 [0,2,0,0,0,0|2,0,0]=4 487 B16R1.7611 O=C(NCC(F)F)NC(=O)c1ccccc1 WXVL_AK0136YV0027 [0,2,0,0,0,0|2,0,0]=4 488 B16R1.7611 O=C(NCC(F)F)NC(=O)c1ccccc1 WXVL_AK0136YV0027 [0,2,0,0,0,0|2,0,0]=4 489 B16R1.6939 CC(C)NC(=O)CS(=O)(=O)c1ccccc1 WXVL_AK0030SB9864 [0,2,0,0,0,0|2,0,0]=4 490 B16R1.6939 CC(C)NC(=O)CS(=O)(=O)c1ccccc1 WXVL_AK0030SB9864 [0,2,0,0,0,0|2,0,0]=4 491 B16R1.544 CCN(CC)C(=O)NC(=O)c1ccccc1 WXVL_AN0042YV0027 [0,2,0,0,0,0|2,0,0]=4 492 B16R1.544 CCN(CC)C(=O)NC(=O)c1ccccc1 WXVL_AN0042YV0027 [0,2,0,0,0,0|2,0,0]=4 493 B16R1.4125 CC(C)N(C)C(=O)NC(=O)c1ccccc1 WXVL_AN0073YV0027 [0,2,0,0,0,0|2,0,0]=4 494 B16R1.4125 CC(C)N(C)C(=O)NC(=O)c1ccccc1 WXVL_AN0073YV0027 [0,2,0,0,0,0|2,0,0]=4 495 B16R1.6742 CC(C)(C)NC(=O)NC(=O)c1ccccc1 WXVL_AK0024YV0027 [0,2,0,0,0,0|2,0,0]=4 496 B16R1.6742 CC(C)(C)NC(=O)NC(=O)c1ccccc1 WXVL_AK0024YV0027 [0,2,0,0,0,0|2,0,0]=4 497 B14R1.621 CCOC(=O)CC(=O)Nc1ccsc1 WXVL_AF00105SB3094 [0,0,1,1,0,0|2,0,0]=4 498 B14R1.621 CCOC(=O)CC(=O)Nc1ccsc1 WXVL_AF00105SB3094 [0,0,1,1,0,0|2,0,0]=4 499 B16R2.236 CC1CN(CCO1)C(=O)c2ccccc2 WXVL_AN0569SD0001 [0,0,0,1,0,1|1,0,1]=4 500 B16R2.236 C[C@@H]1CN(CCO1)C(=O)c2ccccc2 WXVL_AN00210SD0001 [0,0,0,1,0,1|1,0,1]=4 501 B16R2.236 C[C@@H]1CN(CCO1)C(=O)c2ccccc2 WXVL_AN00210SD0001 [0,0,0,1,0,1|1,0,1]=4 502 B16R2.236 C[C@H]1CN(CCO1)C(=O)c2ccccc2 WXVL_AN00212SD0001 [0,0,0,1,0,1|1,0,1]=4 503 B16R2.236 C[C@H]1CN(CCO1)C(=O)c2ccccc2 WXVL_AN00212SD0001 [0,0,0,1,0,1|1,0,1]=4 504 B16R2.236 O=C(c1ccccc1)N2CCOC(C2)O WXVL_AN00776SD0001 [0,0,0,1,0,1|0,0,2]=4 505 B16R2.236 O=C1CN(CCN1)C(=O)c2ccccc2 WXVL_AN0102SD0001 [0,0,0,1,0,1|1,0,0]=3 506 B16R2.236 O=C1CN(CCN1)C(=O)c2ccccc2 WXVL_AN0102SD0001 [0,0,0,1,0,1|1,0,0]=3 507 B16R2.236 O=C1CN(CCN1)C(=O)c2ccccn2 WXVL_AN0102SC0058 [0,0,0,1,0,1|2,0,0]=4 508 B16R2.236 O=C1CN(CCN1)C(=O)c2ccccn2 WXVL_AN0102SC0058 [0,0,0,1,0,1|2,0,0]=4 509 B16R2.236 O=C1CN(CCN1)C(=O)c2cccnc2 WXVL_AN0102SC0061 [0,0,0,1,0,1|2,0,0]=4 510 B16R2.236 O=C1CN(CCN1)C(=O)c2cccnc2 WXVL_AN0102SC0061 [0,0,0,1,0,1|2,0,0]=4 511 B16R2.236 O=C1CN(CCN1)C(=O)c2ccncc2 WXVL_AN0102SC0062 [0,0,0,1,0,1|2,0,0]=4 512 B16R2.236 O=C1CN(CCN1)C(=O)c2ccncc2 WXVL_AN0102SC0062 [0,0,0,1,0,1|2,0,0]=4 513 B16R2.236 O=C1CN(CCO1)C(=O)c2ccccc2 WXVL_AN4960SD0001 [0,0,0,1,0,1|0,0,0]=2 514 B16R2.236 O=C1CN(CCO1)C(=O)c2ccccn2 WXVL_AN4960SC0058 [0,0,0,1,0,1|1,0,0]=3 515 B16R2.236 O=C1CN(CCO1)C(=O)c2cccnc2 WXVL_AN4960SC0061 [0,0,0,1,0,1|1,0,0]=3 516 B16R2.236 O=C1CN(CCO1)C(=O)c2cccnn2 WXVL_AN4960SC0374 [0,0,0,1,0,1|2,0,0]=4 517 B16R2.236 O=C1CN(CCO1)C(=O)c2ccncc2 WXVL_AN4960SC0062 [0,0,0,1,0,1|1,0,0]=3 518 B16R2.236 O=C1CN(CCO1)C(=O)c2ccncn2 WXVL_AN4960SC0231 [0,0,0,1,0,1|2,0,0]=4 519 B16R2.236 O=C1CN(CCO1)C(=O)c2ccnnc2 WXVL_AN4960SC0064 [0,0,0,1,0,1|2,0,0]=4 520 B16R2.236 O=C1CN(CCO1)C(=O)c2cncnc2 WXVL_AN4960SC0097 [0,0,0,1,0,1|2,0,0]=4 521 B16R2.236 O=C1CN(CCO1)C(=O)c2ncccn2 WXVL_AN4960SC0096 [0,0,0,1,0,1|2,0,0]=4 522 B16R2.3014 O=C(N[C@@H]1CCNC1=O)c2ccccc2 WXVL_AK0496SD0001 [0,0,0,1,0,1|1,0,0]=3 523 B16R2.3014 O=C(N[C@@H]1CCNC1=O)c2ccccc2 WXVL_AK0496SD0001 [0,0,0,1,0,1|1,0,0]=3 524 B16R2.3014 O=C(N[C@@H]1CCNC1=O)c2ccccn2 WXVL_AK0496SC0058 [0,0,0,1,0,1|2,0,0]=4 525 B16R2.3014 O=C(N[C@@H]1CCNC1=O)c2ccccn2 WXVL_AK0496SC0058 [0,0,0,1,0,1|2,0,0]=4 526 B16R2.3014 O=C(N[C@@H]1CCNC1=O)c2cccnc2 WXVL_AK0496SC0061 [0,0,0,1,0,1|2,0,0]=4 527 B16R2.3014 O=C(N[C@@H]1CCNC1=O)c2cccnc2 WXVL_AK0496SC0061 [0,0,0,1,0,1|2,0,0]=4 528 B16R2.3014 O=C(N[C@@H]1CCNC1=O)c2ccncc2 WXVL_AK0496SC0062 [0,0,0,1,0,1|2,0,0]=4 529 B16R2.3014 O=C(N[C@@H]1CCNC1=O)c2ccncc2 WXVL_AK0496SC0062 [0,0,0,1,0,1|2,0,0]=4 530 B16R2.3014 O=C(N[C@@H]1CONC1=O)c2ccccc2 WXVL_AK1441SD0001 [0,0,0,1,0,1|2,0,0]=4 531 B16R2.3014 O=C(N[C@@H]1CONC1=O)c2ccccc2 WXVL_AK1441SD0001 [0,0,0,1,0,1|2,0,0]=4 532 B16R2.5767 O=C(NC[C@@H]1CCCO1)c2ccccc2 WXVL_AK00754SD0001 [0,0,0,1,0,1|1,0,1]=4 533 B16R2.5767 O=C(NC[C@@H]1CCCO1)c2ccccc2 WXVL_AK00754SD0001 [0,0,0,1,0,1|1,0,1]=4 534 B16R2.734 CCNC(=O)Cc1cc2ccccc2s1 WXVL_AK00476SB3591 [0,0,0,1,0,1|1,1,0]=4 535 B16R2.734 CCNC(=O)Cc1cc2ccccc2s1 WXVL_AK00476SB3591 [0,0,0,1,0,1|1,1,0]=4 536 B16R2.3005 CC1=C(CCO1)C(=O)Nc2ccccc2 WXVL_AG00183SC00025 [0,0,0,1,0,1|1,0,1]=4 537 B16R2.3005 CC1=C(CCO1)C(=O)Nc2ccccc2 WXVL_AG00183SC00025 [0,0,0,1,0,1|1,0,1]=4 538 B16R2.27712 O=C(NC(=O)c1ccccc1)NC2CC2 WXVL_AK0001YV0027 [0,1,0,1,0,0|2,0,0]=4 539 B16R2.27712 O=C(NC(=O)c1ccccc1)NC2CC2 WXVL_AK0001YV0027 [0,1,0,1,0,0|2,0,0]=4 540 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 WXVL_AK00476SA00109 [0,1,0,1,0,0|2,0,0]=4 541 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 WXVL_AK00476SA00109 [0,1,0,1,0,0|2,0,0]=4 542 B16R2.5 CCNC(=O)Cc1noc2c1cccc2 WXVL_AK00476SA0004 [0,1,0,1,0,0|1,0,1]=4 543 B16R2.5 CCNC(=O)Cc1noc2c1cccc2 WXVL_AK00476SA0004 [0,1,0,1,0,0|1,0,1]=4 544 B12R1.34 CNC(=O)C(=O)c1ccccc1 WXVL_AK00442SB0050 [1,0,0,0,1,0|1,0,0]=3 545 B12R1.34 CNC(=O)C(=O)c1ccccc1 WXVL_AK00442SB0050 [1,0,0,0,1,0|1,0,0]=3 546 B12R1.32 CCCC(=O)Nc1ccccc1 WXVL_AG00183SB0073 [1,0,0,0,1,0|2,0,0]=4 547 B12R1.32 CCCC(=O)Nc1ccccc1 WXVL_AG00183SB0073 [1,0,0,0,1,0|2,0,0]=4 548 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [1,0,0,0,1,0|1,0,0]=3 549 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [1,0,0,0,1,0|1,0,0]=3 550 B12R1.32 CCNC(=O)Cc1ccccn1 WXVL_AK00476SA0032 [1,0,0,0,1,0|2,0,0]=4 551 B12R1.32 CCNC(=O)Cc1ccccn1 WXVL_AK00476SA0032 [1,0,0,0,1,0|2,0,0]=4 552 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SA0029 [1,0,0,0,1,0|2,0,0]=4 553 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SA0029 [1,0,0,0,1,0|2,0,0]=4 554 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SB00049 [1,0,0,0,1,0|2,0,0]=4 555 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SB00049 [1,0,0,0,1,0|2,0,0]=4 556 B12R1.32 CCNC(=O)Cc1ccncc1 WXVL_AK00476SA00106 [1,0,0,0,1,0|2,0,0]=4 557 B12R1.32 CCNC(=O)Cc1ccncc1 WXVL_AK00476SA00106 [1,0,0,0,1,0|2,0,0]=4 558 B12R1.55 CCNC(=O)C(=O)c1ccco1 WXVL_AK00476SA0049 [0,0,0,0,2,0|2,0,0]=4 559 B12R1.55 CCNC(=O)C(=O)c1ccco1 WXVL_AK00476SA0049 [0,0,0,0,2,0|2,0,0]=4 560 B14R1.743 CCC(C)CC(=O)Nc1ccccc1 WXVL_AG00183SB0353 [1,0,0,0,0,1|1,0,1]=4 561 B14R1.743 CCC(C)CC(=O)Nc1ccccc1 WXVL_AG00183SB0353 [1,0,0,0,0,1|1,0,1]=4 562 B14R1.743 CCC(O)CC(=O)Nc1ccccc1 WXVL_AG00183SB4092 [1,0,0,0,0,1|0,0,2]=4 563 B14R1.743 CCC(O)CC(=O)Nc1ccccc1 WXVL_AG00183SB4092 [1,0,0,0,0,1|0,0,2]=4 564 B14R1.743 CC[C@@H](C)CC(=O)Nc1ccccc1 WXVL_AG00183SB8650 [1,0,0,0,0,1|1,0,1]=4 565 B14R1.743 CC[C@@H](C)CC(=O)Nc1ccccc1 WXVL_AG00183SB8650 [1,0,0,0,0,1|1,0,1]=4 566 B14R1.743 COC(=O)CC(=O)Nc1ccccc1 WXVL_AG00183SB2790 [1,0,0,0,0,1|0,0,0]=2 567 B14R1.743 COC(=O)CC(=O)Nc1ccccc1 WXVL_AG00183SB2790 [1,0,0,0,0,1|0,0,0]=2 568 B14R1.743 COC(=O)CC(=O)Nc1ccccn1 WXVL_AF00298SB2790 [1,0,0,0,0,1|1,0,0]=3 569 B14R1.743 COC(=O)CC(=O)Nc1ccccn1 WXVL_AF00298SB2790 [1,0,0,0,0,1|1,0,0]=3 570 B14R1.743 COC(=O)CC(=O)Nc1cccnn1 WXVL_AF0151SB2790 [1,0,0,0,0,1|2,0,0]=4 571 B14R1.743 COC(=O)CC(=O)Nc1cccnn1 WXVL_AF0151SB2790 [1,0,0,0,0,1|2,0,0]=4 572 B14R1.743 COC(=O)CC(=O)Nc1ccncn1 WXVL_AF0139SB2790 [1,0,0,0,0,1|2,0,0]=4 573 B14R1.743 COC(=O)CC(=O)Nc1ccncn1 WXVL_AF0139SB2790 [1,0,0,0,0,1|2,0,0]=4 574 B14R1.743 COC(=O)CC(=O)Nc1ccnnc1 WXVL_AF0624SB2790 [1,0,0,0,0,1|2,0,0]=4 575 B14R1.743 COC(=O)CC(=O)Nc1ccnnc1 WXVL_AF0624SB2790 [1,0,0,0,0,1|2,0,0]=4 576 B14R1.743 COC(=O)CC(=O)Nc1cnccn1 WXVL_AF0120SB2790 [1,0,0,0,0,1|2,0,0]=4 577 B14R1.743 COC(=O)CC(=O)Nc1cnccn1 WXVL_AF0120SB2790 [1,0,0,0,0,1|2,0,0]=4 578 B14R1.743 COC(=O)CC(=O)Nc1cncnc1 WXVL_AF0085SB2790 [1,0,0,0,0,1|2,0,0]=4 579 B14R1.743 COC(=O)CC(=O)Nc1cncnc1 WXVL_AF0085SB2790 [1,0,0,0,0,1|2,0,0]=4 580 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 WXVL_AG00183SB0349 [1,0,0,0,0,1|1,0,0]=3 581 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 WXVL_AG00183SB0349 [1,0,0,0,0,1|1,0,0]=3 582 B14R1.158 CC/C=C/CC(=O)Nc1ccccn1 WXVL_AF00298SB0349 [1,0,0,0,0,1|2,0,0]=4 583 B14R1.158 CC/C=C/CC(=O)Nc1ccccn1 WXVL_AF00298SB0349 [1,0,0,0,0,1|2,0,0]=4 584 B14R1.158 CCO/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB3226 [1,0,0,0,0,1|0,0,1]=3 585 B14R1.158 CCO/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB3226 [1,0,0,0,0,1|0,0,1]=3 586 B14R1.158 CCO/C=C/C(=O)Nc1ccccn1 WXVL_AF00298SB3226 [1,0,0,0,0,1|1,0,1]=4 587 B14R1.158 CCO/C=C/C(=O)Nc1ccccn1 WXVL_AF00298SB3226 [1,0,0,0,0,1|1,0,1]=4 588 B14R1.520 CCCC(=O)NCCc1ccccc1 WXVL_AK00498SB0073 [1,0,0,0,0,1|1,0,1]=4 589 B14R1.520 CCCC(=O)NCCc1ccccc1 WXVL_AK00498SB0073 [1,0,0,0,0,1|1,0,1]=4 590 B14R1.520 CCNC(=O)CCCc1ccccc1 WXVL_AK00476SB0121 [1,0,0,0,0,1|1,0,1]=4 591 B14R1.520 CCNC(=O)CCCc1ccccc1 WXVL_AK00476SB0121 [1,0,0,0,0,1|1,0,1]=4 592 B14R1.520 CCNC(=O)CCOc1ccccc1 WXVL_AK00476SB0066 [1,0,0,0,0,1|1,0,1]=4 593 B14R1.520 CCNC(=O)CCOc1ccccc1 WXVL_AK00476SB0066 [1,0,0,0,0,1|1,0,1]=4 594 B14R1.520 CCNC(=O)COCc1ccccc1 WXVL_AK00476SB0185 [1,0,0,0,0,1|1,0,1]=4 595 B14R1.520 CCNC(=O)COCc1ccccc1 WXVL_AK00476SB0185 [1,0,0,0,0,1|1,0,1]=4 596 B14R1.100 CCNC(=O)CNC(=O)c1cccs1 WXVL_AK00476SA0161 [0,0,0,0,1,1|2,0,0]=4 597 B14R1.100 CCNC(=O)CNC(=O)c1cccs1 WXVL_AK00476SA0161 [0,0,0,0,1,1|2,0,0]=4 598 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 WXVL_AK00476SB2021 [0,0,0,0,0,2|1,0,0]=3 599 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 WXVL_AK00476SB2021 [0,0,0,0,0,2|1,0,0]=3 600 B16R1.929 CCOC(=O)CCNC(=O)c1ccccc1 WXVL_AK0465SD0001 [0,0,0,0,0,2|0,0,0]=2 601 B16R1.929 CCOC(=O)CCNC(=O)c1ccccc1 WXVL_AK0465SD0001 [0,0,0,0,0,2|0,0,0]=2 602 B16R1.929 CCOC(=O)CCNC(=O)c1ccccn1 WXVL_AK0465SC0058 [0,0,0,0,0,2|1,0,0]=3 603 B16R1.929 CCOC(=O)CCNC(=O)c1ccccn1 WXVL_AK0465SC0058 [0,0,0,0,0,2|1,0,0]=3 604 B16R1.929 CCOC(=O)CCNC(=O)c1cccnc1 WXVL_AK0465SC0061 [0,0,0,0,0,2|1,0,0]=3 605 B16R1.929 CCOC(=O)CCNC(=O)c1cccnc1 WXVL_AK0465SC0061 [0,0,0,0,0,2|1,0,0]=3 606 B16R1.929 CCOC(=O)CCNC(=O)c1cccnn1 WXVL_AK0465SC0374 [0,0,0,0,0,2|2,0,0]=4 607 B16R1.929 CCOC(=O)CCNC(=O)c1cccnn1 WXVL_AK0465SC0374 [0,0,0,0,0,2|2,0,0]=4 608 B16R1.929 CCOC(=O)CCNC(=O)c1ccncc1 WXVL_AK0465SC0062 [0,0,0,0,0,2|1,0,0]=3 609 B16R1.929 CCOC(=O)CCNC(=O)c1ccncc1 WXVL_AK0465SC0062 [0,0,0,0,0,2|1,0,0]=3 610 B16R1.929 CCOC(=O)CCNC(=O)c1ccncn1 WXVL_AK0465SC0231 [0,0,0,0,0,2|2,0,0]=4 611 B16R1.929 CCOC(=O)CCNC(=O)c1ccncn1 WXVL_AK0465SC0231 [0,0,0,0,0,2|2,0,0]=4 612 B16R1.929 CCOC(=O)CCNC(=O)c1ccnnc1 WXVL_AK0465SC0064 [0,0,0,0,0,2|2,0,0]=4 613 B16R1.929 CCOC(=O)CCNC(=O)c1ccnnc1 WXVL_AK0465SC0064 [0,0,0,0,0,2|2,0,0]=4 614 B16R1.929 CCOC(=O)CCNC(=O)c1cncnc1 WXVL_AK0465SC0097 [0,0,0,0,0,2|2,0,0]=4 615 B16R1.929 CCOC(=O)CCNC(=O)c1cncnc1 WXVL_AK0465SC0097 [0,0,0,0,0,2|2,0,0]=4 616 B16R1.929 CCOC(=O)CCNC(=O)c1ncccn1 WXVL_AK0465SC0096 [0,0,0,0,0,2|2,0,0]=4 617 B16R1.929 CCOC(=O)CCNC(=O)c1ncccn1 WXVL_AK0465SC0096 [0,0,0,0,0,2|2,0,0]=4 618 B16R1.934 C/C=C/C(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0340 [0,0,0,0,0,2|1,0,1]=4 619 B16R1.934 C/C=C/C(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0340 [0,0,0,0,0,2|1,0,1]=4 620 B16R1.934 CC#CC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB1240 [0,0,0,0,0,2|1,0,1]=4 621 B16R1.934 CC#CC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB1240 [0,0,0,0,0,2|1,0,1]=4 622 B16R1.934 CCCC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0073 [0,0,0,0,0,2|1,0,0]=3 623 B16R1.934 CCCC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0073 [0,0,0,0,0,2|1,0,0]=3 624 B16R1.934 CCNC(=O)CNC(=O)Cc1ccccc1 WXVL_AK00476SB2135 [0,0,0,0,0,2|1,0,0]=3 625 B16R1.934 CCNC(=O)CNC(=O)Cc1ccccc1 WXVL_AK00476SB2135 [0,0,0,0,0,2|1,0,0]=3 626 B16R1.934 CCOC(=O)/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB0061 [0,0,0,0,0,2|0,0,1]=3 627 B16R1.934 CCOC(=O)/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB0061 [0,0,0,0,0,2|0,0,1]=3 628 B16R1.934 CCOC(=O)/C=C/C(=O)Nc1ccccn1 WXVL_AF00298SB0061 [0,0,0,0,0,2|1,0,1]=4 629 B16R1.934 CCOC(=O)/C=C/C(=O)Nc1ccccn1 WXVL_AF00298SB0061 [0,0,0,0,0,2|1,0,1]=4 630 B16R1.934 CCOC(=O)CNC(=O)Nc1ccccc1 WXVL_AG00183YV0151 [0,0,0,0,0,2|0,0,0]=2 631 B16R1.934 CCOC(=O)CNC(=O)Nc1ccccc1 WXVL_AG00183YV0151 [0,0,0,0,0,2|0,0,0]=2 632 B16R1.934 CCOC(=O)CNC(=O)Nc1ccccn1 WXVL_AF00298YV0151 [0,0,0,0,0,2|1,0,0]=3 633 B16R1.934 CCOC(=O)CNC(=O)Nc1ccccn1 WXVL_AF00298YV0151 [0,0,0,0,0,2|1,0,0]=3 634 B16R1.934 CCOC(=O)CNC(=O)Nc1cccnn1 WXVL_AF0151YV0151 [0,0,0,0,0,2|2,0,0]=4 635 B16R1.934 CCOC(=O)CNC(=O)Nc1cccnn1 WXVL_AF0151YV0151 [0,0,0,0,0,2|2,0,0]=4 636 B16R1.934 CCOC(=O)CNC(=O)Nc1ccncn1 WXVL_AF0139YV0151 [0,0,0,0,0,2|2,0,0]=4 637 B16R1.934 CCOC(=O)CNC(=O)Nc1ccncn1 WXVL_AF0139YV0151 [0,0,0,0,0,2|2,0,0]=4 638 B16R1.934 CCOC(=O)CNC(=O)Nc1ccnnc1 WXVL_AF0624YV0151 [0,0,0,0,0,2|2,0,0]=4 639 B16R1.934 CCOC(=O)CNC(=O)Nc1ccnnc1 WXVL_AF0624YV0151 [0,0,0,0,0,2|2,0,0]=4 640 B16R1.934 CCOC(=O)CNC(=O)Nc1cnccn1 WXVL_AF0120YV0151 [0,0,0,0,0,2|2,0,0]=4 641 B16R1.934 CCOC(=O)CNC(=O)Nc1cnccn1 WXVL_AF0120YV0151 [0,0,0,0,0,2|2,0,0]=4 642 B16R1.934 CCOC(=O)CNC(=O)Nc1cncnc1 WXVL_AF0085YV0151 [0,0,0,0,0,2|2,0,0]=4 643 B16R1.934 CCOC(=O)CNC(=O)Nc1cncnc1 WXVL_AF0085YV0151 [0,0,0,0,0,2|2,0,0]=4 644 B16R1.934 COCC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0090 [0,0,0,0,0,2|2,0,0]=4 645 B16R1.934 COCC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0090 [0,0,0,0,0,2|2,0,0]=4 646 B16R1.934 CSCC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB1267 [0,0,0,0,0,2|2,0,0]=4 647 B16R1.934 CSCC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB1267 [0,0,0,0,0,2|2,0,0]=4 648 B16R1.1570 CCOC(=O)CC(=O)NCc1ccccc1 WXVL_AK00502SB3094 [0,0,0,0,0,2|0,0,0]=2 649 B16R1.1570 CCOC(=O)CC(=O)NCc1ccccc1 WXVL_AK00502SB3094 [0,0,0,0,0,2|0,0,0]=2 650 B16R1.1570 CCOC(=O)CC(=O)NCc1ccccn1 WXVL_AK0018SB3094 [0,0,0,0,0,2|1,0,0]=3 651 B16R1.1570 CCOC(=O)CC(=O)NCc1ccccn1 WXVL_AK0018SB3094 [0,0,0,0,0,2|1,0,0]=3 652 B16R1.1570 CCOC(=O)CC(=O)NCc1cccnc1 WXVL_AK0020SB3094 [0,0,0,0,0,2|1,0,0]=3 653 B16R1.1570 CCOC(=O)CC(=O)NCc1cccnc1 WXVL_AK0020SB3094 [0,0,0,0,0,2|1,0,0]=3 654 B16R1.1570 CCOC(=O)CC(=O)NCc1ccncc1 WXVL_AK0021SB3094 [0,0,0,0,0,2|1,0,0]=3 655 B16R1.1570 CCOC(=O)CC(=O)NCc1ccncc1 WXVL_AK0021SB3094 [0,0,0,0,0,2|1,0,0]=3 656 B16R1.1570 CCOC(=O)CC(=O)NCc1ccncn1 WXVL_AK1356SB3094 [0,0,0,0,0,2|2,0,0]=4 657 B16R1.1570 CCOC(=O)CC(=O)NCc1ccncn1 WXVL_AK1356SB3094 [0,0,0,0,0,2|2,0,0]=4 658 B16R1.1570 CCOC(=O)CC(=O)NCc1cnccn1 WXVL_AK00262SB3094 [0,0,0,0,0,2|2,0,0]=4 659 B16R1.1570 CCOC(=O)CC(=O)NCc1cnccn1 WXVL_AK00262SB3094 [0,0,0,0,0,2|2,0,0]=4 660 B16R1.1570 CCOC(=O)CC(=O)NCc1cncnc1 WXVL_AK1364SB3094 [0,0,0,0,0,2|2,0,0]=4 661 B16R1.1570 CCOC(=O)CC(=O)NCc1cncnc1 WXVL_AK1364SB3094 [0,0,0,0,0,2|2,0,0]=4 662 B16R1.1570 CCOC(=O)CC(=O)NCc1ncccn1 WXVL_AK0279SB3094 [0,0,0,0,0,2|2,0,0]=4 663 B16R1.1570 CCOC(=O)CC(=O)NCc1ncccn1 WXVL_AK0279SB3094 [0,0,0,0,0,2|2,0,0]=4