0 B14R1.588 COC(=O)CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB2790 [0,1,0,0,0,0|2,0,1]=4 1 B14R1.588 COC(=O)CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB2790 [0,1,0,0,0,0|2,0,1]=4 2 B14R1.588 COC(=O)CC(=O)NCc1ccco1 WXVL_AK0010SB2790 [0,1,0,0,0,0|1,0,1]=3 3 B14R1.588 COC(=O)CC(=O)NCc1ccco1 WXVL_AK0010SB2790 [0,1,0,0,0,0|1,0,1]=3 4 B14R1.588 COC(=O)CC(=O)NCc1cccs1 WXVL_AK0014SB2790 [0,1,0,0,0,0|1,1,1]=4 5 B14R1.588 COC(=O)CC(=O)NCc1cccs1 WXVL_AK0014SB2790 [0,1,0,0,0,0|1,1,1]=4 6 B14R1.588 COC(=O)CC(=O)NCc1cnco1 WXVL_AK1437SB2790 [0,1,0,0,0,0|2,0,1]=4 7 B14R1.588 COC(=O)CC(=O)NCc1cnco1 WXVL_AK1437SB2790 [0,1,0,0,0,0|2,0,1]=4 8 B14R1.731 COC(=O)CCC(=O)Nc1ccno1 WXVL_AF0588SB0069 [0,1,0,0,0,0|3,0,0]=4 9 B14R1.731 COC(=O)CCC(=O)Nc1ccno1 WXVL_AF0588SB0069 [0,1,0,0,0,0|3,0,0]=4 10 B14R1.731 COC(=O)CCC(=O)Nc1ncco1 WXVL_AF0235SB0069 [0,1,0,0,0,0|3,0,0]=4 11 B14R1.731 COC(=O)CCC(=O)Nc1ncco1 WXVL_AF0235SB0069 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.477 C#CC(=O)NCCc1ccco1 WXVL_AK0989SB0338 [0,0,0,0,1,0|2,0,1]=4 13 B12R1.477 C#CC(=O)NCCc1ccco1 WXVL_AK0989SB0338 [0,0,0,0,1,0|2,0,1]=4 14 B12R1.477 CCC(=O)NCCc1ccco1 WXVL_AK0989SB0064 [0,0,0,0,1,0|2,0,0]=3 15 B12R1.477 CCC(=O)NCCc1ccco1 WXVL_AK0989SB0064 [0,0,0,0,1,0|2,0,0]=3 16 B12R1.477 CCC(=O)NCCc1cccs1 WXVL_AK0098SB0064 [0,0,0,0,1,0|2,1,0]=4 17 B12R1.477 CCC(=O)NCCc1cccs1 WXVL_AK0098SB0064 [0,0,0,0,1,0|2,1,0]=4 18 B12R1.477 CNC(=O)CCCn1cccc1 WXVL_AK00442SA2501 [0,0,0,0,1,0|3,0,0]=4 19 B12R1.477 CNC(=O)CCCn1cccc1 WXVL_AK00442SA2501 [0,0,0,0,1,0|3,0,0]=4 20 B12R1.477 O=C(CO)NCCc1ccco1 WXVL_AK0989SB2706 [0,0,0,0,1,0|3,0,0]=4 21 B12R1.477 O=C(CO)NCCc1ccco1 WXVL_AK0989SB2706 [0,0,0,0,1,0|3,0,0]=4 22 B14R1.716 CNC(=O)CCCCc1ccccc1 WXVL_AK00442SB0460 [0,0,0,0,0,1|3,0,0]=4 23 B14R1.716 CNC(=O)CCCCc1ccccc1 WXVL_AK00442SB0460 [0,0,0,0,0,1|3,0,0]=4 24 B14R1.716 COC(=O)CCCNc1ccncn1 WXVL_AK00444LP3358 [0,0,0,0,0,1|3,0,0]=4 25 B14R1.716 COC(=O)CCCNc1ccncn1 WXVL_AK00444LP3358 [0,0,0,0,0,1|3,0,0]=4 26 B14R1.716 COC(=O)CCCNc1ncccn1 WXVL_AK00444LP0002 [0,0,0,0,0,1|3,0,0]=4 27 B14R1.716 COC(=O)CCCNc1ncccn1 WXVL_AK00444LP0002 [0,0,0,0,0,1|3,0,0]=4 28 B14R1.730 C#CC(=O)NCCSCc1ccco1 WXVL_AK1129SB0338 [0,0,0,0,0,1|1,0,1]=3 29 B14R1.730 C#CC(=O)NCCSCc1ccco1 WXVL_AK1129SB0338 [0,0,0,0,0,1|1,0,1]=3 30 B14R1.730 CCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0064 [0,0,0,0,0,1|1,0,0]=2 31 B14R1.730 CCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0064 [0,0,0,0,0,1|1,0,0]=2 32 B14R1.730 O=C(CO)NCCSCc1ccco1 WXVL_AK1129SB2706 [0,0,0,0,0,1|2,0,0]=3 33 B14R1.730 O=C(CO)NCCSCc1ccco1 WXVL_AK1129SB2706 [0,0,0,0,0,1|2,0,0]=3 34 B13R1.343 CC(=O)NCCSCc1ccco1 WXVL_AK1129SB0150 [1,1,0,0,0,0|2,0,0]=4 35 B13R1.343 CC(=O)NCCSCc1ccco1 WXVL_AK1129SB0150 [1,1,0,0,0,0|2,0,0]=4 36 B15R1.26 CNC(=O)CCSCc1ccc(cc1)C WXVL_AK00442SB7299 [0,1,0,0,0,1|2,0,0]=4 37 B15R1.26 CNC(=O)CCSCc1ccc(cc1)C WXVL_AK00442SB7299 [0,1,0,0,0,1|2,0,0]=4 38 B15R1.329 CCS(=O)(=O)NCCSCc1ccco1 WXVL_AK1129HU0028 [0,1,0,0,0,1|2,0,0]=4 39 B15R1.329 CCS(=O)(=O)NCCSCc1ccco1 WXVL_AK1129HU0028 [0,1,0,0,0,1|2,0,0]=4 40 B15R1.739 COC(=O)CC(=O)NCCc1ccco1 WXVL_AK0989SB2790 [0,1,0,0,0,1|1,0,1]=4 41 B15R1.739 COC(=O)CC(=O)NCCc1ccco1 WXVL_AK0989SB2790 [0,1,0,0,0,1|1,0,1]=4 42 B15R1.795 C#CCC(=O)NCCSCc1ccco1 WXVL_AK1129SB3070 [0,1,0,0,0,1|1,0,1]=4 43 B15R1.795 C#CCC(=O)NCCSCc1ccco1 WXVL_AK1129SB3070 [0,1,0,0,0,1|1,0,1]=4 44 B15R1.795 C/C=C/C(=O)NCCSCc1ccco1 WXVL_AK1129SB0340 [0,1,0,0,0,1|1,0,0]=3 45 B15R1.795 C/C=C/C(=O)NCCSCc1ccco1 WXVL_AK1129SB0340 [0,1,0,0,0,1|1,0,0]=3 46 B15R1.795 C=CCC(=O)NCCSCc1ccco1 WXVL_AK1129SB2732 [0,1,0,0,0,1|1,0,1]=4 47 B15R1.795 C=CCC(=O)NCCSCc1ccco1 WXVL_AK1129SB2732 [0,1,0,0,0,1|1,0,1]=4 48 B15R1.795 CC#CC(=O)NCCSCc1ccco1 WXVL_AK1129SB1240 [0,1,0,0,0,1|1,0,0]=3 49 B15R1.795 CC#CC(=O)NCCSCc1ccco1 WXVL_AK1129SB1240 [0,1,0,0,0,1|1,0,0]=3 50 B15R1.795 CCCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0073 [0,1,0,0,0,1|1,0,0]=3 51 B15R1.795 CCCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0073 [0,1,0,0,0,1|1,0,0]=3 52 B15R1.795 COCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0090 [0,1,0,0,0,1|0,0,0]=2 53 B15R1.795 COCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0090 [0,1,0,0,0,1|0,0,0]=2 54 B15R1.795 CSCC(=O)NCCSCc1ccco1 WXVL_AK1129SB1267 [0,1,0,0,0,1|0,1,0]=3 55 B15R1.795 CSCC(=O)NCCSCc1ccco1 WXVL_AK1129SB1267 [0,1,0,0,0,1|0,1,0]=3 56 B15R1.795 N#CCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0057 [0,1,0,0,0,1|1,0,1]=4 57 B15R1.795 N#CCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0057 [0,1,0,0,0,1|1,0,1]=4 58 B15R1.951 COC(=O)CCCNC(=O)c1ccco1 WXVL_AK00444SC0049 [0,1,0,0,0,1|1,0,1]=4 59 B15R1.951 COC(=O)CCCNC(=O)c1ccco1 WXVL_AK00444SC0049 [0,1,0,0,0,1|1,0,1]=4 60 B15R1.1115 COC(=O)CCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0069 [0,1,0,0,0,1|2,0,0]=4 61 B15R1.1115 COC(=O)CCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0069 [0,1,0,0,0,1|2,0,0]=4 62 B15R1.1115 COC(=O)CCC(=O)NCc1ccco1 WXVL_AK0010SB0069 [0,1,0,0,0,1|1,0,0]=3 63 B15R1.1115 COC(=O)CCC(=O)NCc1ccco1 WXVL_AK0010SB0069 [0,1,0,0,0,1|1,0,0]=3 64 B15R1.1115 COC(=O)CCC(=O)NCc1cccs1 WXVL_AK0014SB0069 [0,1,0,0,0,1|1,1,0]=4 65 B15R1.1115 COC(=O)CCC(=O)NCc1cccs1 WXVL_AK0014SB0069 [0,1,0,0,0,1|1,1,0]=4 66 B15R1.1115 COC(=O)CCC(=O)NCc1cnco1 WXVL_AK1437SB0069 [0,1,0,0,0,1|2,0,0]=4 67 B15R1.1115 COC(=O)CCC(=O)NCc1cnco1 WXVL_AK1437SB0069 [0,1,0,0,0,1|2,0,0]=4 68 B15R1.3670 C=C(F)C(=O)NCCSCc1ccco1 WXVL_AK1129SB1376 [0,1,0,0,0,1|1,0,1]=4 69 B15R1.3670 C=C(F)C(=O)NCCSCc1ccco1 WXVL_AK1129SB1376 [0,1,0,0,0,1|1,0,1]=4 70 B15R1.3670 CC(=O)C(=O)NCCSCc1ccco1 WXVL_AK1129SB0051 [0,1,0,0,0,1|1,0,0]=3 71 B15R1.3670 CC(=O)C(=O)NCCSCc1ccco1 WXVL_AK1129SB0051 [0,1,0,0,0,1|1,0,0]=3 72 B15R1.3670 CC(C)C(=O)NCCSCc1ccco1 WXVL_AK1129SB0052 [0,1,0,0,0,1|1,0,0]=3 73 B15R1.3670 CC(C)C(=O)NCCSCc1ccco1 WXVL_AK1129SB0052 [0,1,0,0,0,1|1,0,0]=3 74 B15R1.3670 CC(S)C(=O)NCCSCc1ccco1 WXVL_AK1129SB2708 [0,1,0,0,0,1|1,0,0]=3 75 B15R1.3670 CC(S)C(=O)NCCSCc1ccco1 WXVL_AK1129SB2708 [0,1,0,0,0,1|1,0,0]=3 76 B15R1.3670 C[C@@H](O)C(=O)NCCSCc1ccco1 WXVL_AK1129SB1085 [0,1,0,0,0,1|1,0,0]=3 77 B15R1.3670 C[C@@H](O)C(=O)NCCSCc1ccco1 WXVL_AK1129SB1085 [0,1,0,0,0,1|1,0,0]=3 78 B15R1.3670 NC(=O)C(=O)NCCSCc1ccco1 WXVL_AK1129SB0128 [0,1,0,0,0,1|2,0,0]=4 79 B15R1.3670 NC(=O)C(=O)NCCSCc1ccco1 WXVL_AK1129SB0128 [0,1,0,0,0,1|2,0,0]=4 80 B15R1.3670 O=C(NCCSCc1ccco1)C(F)F WXVL_AK1129SB0079 [0,1,0,0,0,1|2,0,0]=4 81 B15R1.3670 O=C(NCCSCc1ccco1)C(F)F WXVL_AK1129SB0079 [0,1,0,0,0,1|2,0,0]=4 82 B15R1.738 COC(=O)CC(C)NC(=O)c1ccco1 WXVL_AK4097SC0049 [0,2,0,0,0,0|1,0,1]=4 83 B15R1.738 COC(=O)CC(C)NC(=O)c1ccco1 WXVL_AK4097SC0049 [0,2,0,0,0,0|1,0,1]=4 84 B15R1.738 COC(=O)C[C@@H](C)NC(=O)c1ccco1 WXVL_AK5300SC0049 [0,2,0,0,0,0|1,0,1]=4 85 B15R1.738 COC(=O)C[C@@H](C)NC(=O)c1ccco1 WXVL_AK5300SC0049 [0,2,0,0,0,0|1,0,1]=4 86 B15R1.1284 CCOC(=O)CC(=O)NCc1ccco1 WXVL_AK0010SB3094 [0,2,0,0,0,0|1,0,1]=4 87 B15R1.1284 CCOC(=O)CC(=O)NCc1ccco1 WXVL_AK0010SB3094 [0,2,0,0,0,0|1,0,1]=4 88 B15R1.1349 COC(=O)C(C)C(=O)NCc1ccco1 WXVL_AK0010SB5708 [0,2,0,0,0,0|1,0,1]=4 89 B15R1.1349 COC(=O)C(C)C(=O)NCc1ccco1 WXVL_AK0010SB5708 [0,2,0,0,0,0|1,0,1]=4 90 B15R1.11665 COC(=O)CS(=O)(=O)NCc1ccco1 WXVL_AK0010HU0075 [0,2,0,0,0,0|2,0,0]=4 91 B15R1.11665 COC(=O)CS(=O)(=O)NCc1ccco1 WXVL_AK0010HU0075 [0,2,0,0,0,0|2,0,0]=4 92 B15R1.794 CCOC(=O)CCNC(=O)c1ccco1 WXVL_AK0465SC0049 [0,2,0,0,0,0|1,0,1]=4 93 B15R1.794 CCOC(=O)CCNC(=O)c1ccco1 WXVL_AK0465SC0049 [0,2,0,0,0,0|1,0,1]=4 94 B15R2.285 O=C1C[C@@H](CO1)NC(=O)c2ccco2 WXVL_AK00458SC0049 [0,1,0,1,0,0|1,0,1]=4 95 B15R2.285 O=C1C[C@@H](CO1)NC(=O)c2ccco2 WXVL_AK00458SC0049 [0,1,0,1,0,0|1,0,1]=4 96 B11R1.172 CC(=O)NCCc1ccco1 WXVL_AK0989SB0150 [1,0,0,0,1,0|1,0,0]=3 97 B11R1.172 CC(=O)NCCc1ccco1 WXVL_AK0989SB0150 [1,0,0,0,1,0|1,0,0]=3 98 B11R1.172 CC(=O)NCCc1cccs1 WXVL_AK0098SB0150 [1,0,0,0,1,0|1,1,0]=4 99 B11R1.172 CC(=O)NCCc1cccs1 WXVL_AK0098SB0150 [1,0,0,0,1,0|1,1,0]=4 100 B11R1.25 CCC(=O)NCc1ccco1 WXVL_AK0010SB0064 [0,0,0,0,2,0|2,0,0]=4 101 B11R1.25 CCC(=O)NCc1ccco1 WXVL_AK0010SB0064 [0,0,0,0,2,0|2,0,0]=4 102 B11R1.25 CNC(=O)CCc1ccc[nH]1 WXVL_AK00442SA0009 [0,0,0,0,2,0|2,0,0]=4 103 B11R1.25 CNC(=O)CCc1ccc[nH]1 WXVL_AK00442SA0009 [0,0,0,0,2,0|2,0,0]=4 104 B11R1.25 CNC(=O)CCc1ccco1 WXVL_AK00442SA0167 [0,0,0,0,2,0|1,0,0]=3 105 B11R1.25 CNC(=O)CCc1ccco1 WXVL_AK00442SA0167 [0,0,0,0,2,0|1,0,0]=3 106 B11R1.25 CNC(=O)CCc1cccs1 WXVL_AK00442SA0303 [0,0,0,0,2,0|1,1,0]=4 107 B11R1.25 CNC(=O)CCc1cccs1 WXVL_AK00442SA0303 [0,0,0,0,2,0|1,1,0]=4