0 B15R2.19139 C#CC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0338 [0,0,1,0,0,0|3,0,0]=4 1 B15R2.19139 C#CC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0338 [0,0,1,0,0,0|3,0,0]=4 2 B15R2.19139 C#CC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0338 [0,0,1,0,0,0|2,0,0]=3 3 B15R2.19139 C#CC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0338 [0,0,1,0,0,0|2,0,0]=3 4 B15R2.19139 C#CC(=O)Nc1cccc2c1OCO2 WXVL_AG0202SB0338 [0,0,1,0,0,0|3,0,0]=4 5 B15R2.19139 C#CC(=O)Nc1cccc2c1OCO2 WXVL_AG0202SB0338 [0,0,1,0,0,0|3,0,0]=4 6 B15R2.19139 CCC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0064 [0,0,1,0,0,0|3,0,0]=4 7 B15R2.19139 CCC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0064 [0,0,1,0,0,0|3,0,0]=4 8 B15R2.19139 CCC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0064 [0,0,1,0,0,0|2,0,0]=3 9 B15R2.19139 CCC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0064 [0,0,1,0,0,0|2,0,0]=3 10 B15R2.19139 CCC(=O)Nc1cccc2c1OCO2 WXVL_AG0202SB0064 [0,0,1,0,0,0|3,0,0]=4 11 B15R2.19139 CCC(=O)Nc1cccc2c1OCO2 WXVL_AG0202SB0064 [0,0,1,0,0,0|3,0,0]=4 12 B15R2.19139 O=C(CO)Nc1cccc2c1CCC2 WXVL_AG0108SB2706 [0,0,1,0,0,0|2,0,0]=3 13 B15R2.19139 O=C(CO)Nc1cccc2c1CCC2 WXVL_AG0108SB2706 [0,0,1,0,0,0|2,0,0]=3 14 B15R2.19139 O=C(CO)Nc1cccc2c1CCN2 WXVL_AG3397SB2706 [0,0,1,0,0,0|3,0,0]=4 15 B15R2.19139 O=C(CO)Nc1cccc2c1CCN2 WXVL_AG3397SB2706 [0,0,1,0,0,0|3,0,0]=4 16 B15R2.19139 O=C(CO)Nc1cccc2c1CCO2 WXVL_AG1636SB2706 [0,0,1,0,0,0|3,0,0]=4 17 B15R2.19139 O=C(CO)Nc1cccc2c1CCO2 WXVL_AG1636SB2706 [0,0,1,0,0,0|3,0,0]=4 18 B15R2.19139 O=C(CO)Nc1cccc2c1OCC2 WXVL_AG1515SB2706 [0,0,1,0,0,0|1,0,0]=2 19 B15R2.19139 O=C(CO)Nc1cccc2c1OCC2 WXVL_AG1515SB2706 [0,0,1,0,0,0|1,0,0]=2 20 B15R2.19139 O=C(CO)Nc1cccc2c1OCO2 WXVL_AG0202SB2706 [0,0,1,0,0,0|2,0,0]=3 21 B15R2.19139 O=C(CO)Nc1cccc2c1OCO2 WXVL_AG0202SB2706 [0,0,1,0,0,0|2,0,0]=3 22 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCC2 WXVL_AG0003SB0150 [1,0,1,0,0,0|2,0,0]=4 23 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCC2 WXVL_AG0003SB0150 [1,0,1,0,0,0|2,0,0]=4 24 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 WXVL_AG0007SB0150 [1,0,1,0,0,0|2,0,0]=4 25 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 WXVL_AG0007SB0150 [1,0,1,0,0,0|2,0,0]=4 26 B14R2.1008 NC(=O)Cc1ccc2c(c1)CCC2 WXVL_AK0084SB1558 [1,0,1,0,0,0|2,0,0]=4 27 B14R2.1008 NC(=O)Cc1ccc2c(c1)CCC2 WXVL_AK0084SB1558 [1,0,1,0,0,0|2,0,0]=4 28 B14R2.1008 NC(=O)Cc1ccc2c(c1)OCO2 WXVL_AK0084SB0139 [1,0,1,0,0,0|2,0,0]=4 29 B14R2.1008 NC(=O)Cc1ccc2c(c1)OCO2 WXVL_AK0084SB0139 [1,0,1,0,0,0|2,0,0]=4 30 B14R2.9440 CC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0150 [1,0,1,0,0,0|2,0,0]=4 31 B14R2.9440 CC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0150 [1,0,1,0,0,0|2,0,0]=4 32 B14R2.9440 CC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0150 [1,0,1,0,0,0|1,0,0]=3 33 B14R2.9440 CC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0150 [1,0,1,0,0,0|1,0,0]=3 34 B14R2.9440 CC(=O)Nc1cccc2c1OCO2 WXVL_AG0202SB0150 [1,0,1,0,0,0|2,0,0]=4 35 B14R2.9440 CC(=O)Nc1cccc2c1OCO2 WXVL_AG0202SB0150 [1,0,1,0,0,0|2,0,0]=4 36 B16R2.29551 C#CCC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB3070 [0,1,1,0,0,0|2,0,0]=4 37 B16R2.29551 C#CCC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB3070 [0,1,1,0,0,0|2,0,0]=4 38 B16R2.29551 C/C=C/C(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0340 [0,1,1,0,0,0|2,0,0]=4 39 B16R2.29551 C/C=C/C(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0340 [0,1,1,0,0,0|2,0,0]=4 40 B16R2.29551 C=CCC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB2732 [0,1,1,0,0,0|2,0,0]=4 41 B16R2.29551 C=CCC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB2732 [0,1,1,0,0,0|2,0,0]=4 42 B16R2.29551 CC#CC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB1240 [0,1,1,0,0,0|2,0,0]=4 43 B16R2.29551 CC#CC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB1240 [0,1,1,0,0,0|2,0,0]=4 44 B16R2.29551 CCCC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0073 [0,1,1,0,0,0|2,0,0]=4 45 B16R2.29551 CCCC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0073 [0,1,1,0,0,0|2,0,0]=4 46 B16R2.29551 COCC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0090 [0,1,1,0,0,0|2,0,0]=4 47 B16R2.29551 COCC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0090 [0,1,1,0,0,0|2,0,0]=4 48 B16R2.29551 COCC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0090 [0,1,1,0,0,0|1,0,0]=3 49 B16R2.29551 COCC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0090 [0,1,1,0,0,0|1,0,0]=3 50 B16R2.29551 COCC(=O)Nc1cccc2c1OCO2 WXVL_AG0202SB0090 [0,1,1,0,0,0|2,0,0]=4 51 B16R2.29551 COCC(=O)Nc1cccc2c1OCO2 WXVL_AG0202SB0090 [0,1,1,0,0,0|2,0,0]=4 52 B16R2.29551 CSCC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB1267 [0,1,1,0,0,0|1,1,0]=4 53 B16R2.29551 CSCC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB1267 [0,1,1,0,0,0|1,1,0]=4 54 B16R2.29551 N#CCC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0057 [0,1,1,0,0,0|2,0,0]=4 55 B16R2.29551 N#CCC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0057 [0,1,1,0,0,0|2,0,0]=4 56 B16R2.33577 O=C(CO)Nc1cccc2c1C(=O)CC2 WXVL_AG2053SB2706 [0,1,1,0,0,0|2,0,0]=4 57 B16R2.33577 O=C(CO)Nc1cccc2c1C(=O)CC2 WXVL_AG2053SB2706 [0,1,1,0,0,0|2,0,0]=4 58 B16R2.49441 C=C(F)C(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB1376 [0,1,1,0,0,0|2,0,0]=4 59 B16R2.49441 C=C(F)C(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB1376 [0,1,1,0,0,0|2,0,0]=4 60 B16R2.49441 CC(=O)C(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0051 [0,1,1,0,0,0|1,0,1]=4 61 B16R2.49441 CC(=O)C(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0051 [0,1,1,0,0,0|1,0,1]=4 62 B16R2.49441 CC(C)C(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0052 [0,1,1,0,0,0|2,0,0]=4 63 B16R2.49441 CC(C)C(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0052 [0,1,1,0,0,0|2,0,0]=4 64 B16R2.49441 CC(S)C(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB2708 [0,1,1,0,0,0|1,1,0]=4 65 B16R2.49441 CC(S)C(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB2708 [0,1,1,0,0,0|1,1,0]=4 66 B16R2.49441 C[C@@H](O)C(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB1085 [0,1,1,0,0,0|2,0,0]=4 67 B16R2.49441 C[C@@H](O)C(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB1085 [0,1,1,0,0,0|2,0,0]=4 68 B16R2.49441 C[C@@H](O)C(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB1085 [0,1,1,0,0,0|1,0,0]=3 69 B16R2.49441 C[C@@H](O)C(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB1085 [0,1,1,0,0,0|1,0,0]=3 70 B16R2.49441 C[C@@H](O)C(=O)Nc1cccc2c1OCO2 WXVL_AG0202SB1085 [0,1,1,0,0,0|2,0,0]=4 71 B16R2.49441 C[C@@H](O)C(=O)Nc1cccc2c1OCO2 WXVL_AG0202SB1085 [0,1,1,0,0,0|2,0,0]=4 72 B16R2.49441 NC(=O)C(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0128 [0,1,1,0,0,0|1,0,1]=4 73 B16R2.49441 NC(=O)C(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0128 [0,1,1,0,0,0|1,0,1]=4 74 B16R2.49441 O=C(Nc1cccc2c1OCC2)C(F)F WXVL_AG1515SB0079 [0,1,1,0,0,0|2,0,0]=4 75 B16R2.49441 O=C(Nc1cccc2c1OCC2)C(F)F WXVL_AG1515SB0079 [0,1,1,0,0,0|2,0,0]=4 76 B16R2.169905 O=C(CO)Nc1c(ccc2c1OCO2)Cl WXVL_AG4412SB2706 [0,1,1,0,0,0|2,0,0]=4 77 B16R2.169905 O=C(CO)Nc1c(ccc2c1OCO2)Cl WXVL_AG4412SB2706 [0,1,1,0,0,0|2,0,0]=4 78 B14R1.3995 COc1c(cccc1NC(=O)CO)Br WXVL_AG2200SB2706 [0,0,2,0,0,0|2,0,0]=4 79 B14R1.3995 COc1c(cccc1NC(=O)CO)Br WXVL_AG2200SB2706 [0,0,2,0,0,0|2,0,0]=4 80 B14R1.3995 COc1c(cccc1NC(=O)CO)Cl WXVL_AG0102SB2706 [0,0,2,0,0,0|2,0,0]=4 81 B14R1.3995 COc1c(cccc1NC(=O)CO)Cl WXVL_AG0102SB2706 [0,0,2,0,0,0|2,0,0]=4 82 B14R1.3995 COc1c(cccc1NC(=O)CO)F WXVL_AG0035SB2706 [0,0,2,0,0,0|2,0,0]=4 83 B14R1.3995 COc1c(cccc1NC(=O)CO)F WXVL_AG0035SB2706 [0,0,2,0,0,0|2,0,0]=4 84 B14R1.483 C#CC(=O)Nc1ccccc1OCC WXVL_AG00184SB0338 [0,0,2,0,0,0|2,0,0]=4 85 B14R1.483 C#CC(=O)Nc1ccccc1OCC WXVL_AG00184SB0338 [0,0,2,0,0,0|2,0,0]=4 86 B14R1.483 CCCc1ccccc1NC(=O)CO WXVL_AG1917SB2706 [0,0,2,0,0,0|2,0,0]=4 87 B14R1.483 CCCc1ccccc1NC(=O)CO WXVL_AG1917SB2706 [0,0,2,0,0,0|2,0,0]=4 88 B14R1.483 CCOc1ccccc1NC(=O)CC WXVL_AG00184SB0064 [0,0,2,0,0,0|2,0,0]=4 89 B14R1.483 CCOc1ccccc1NC(=O)CC WXVL_AG00184SB0064 [0,0,2,0,0,0|2,0,0]=4 90 B14R1.483 CCOc1ccccc1NC(=O)CO WXVL_AG00184SB2706 [0,0,2,0,0,0|1,0,0]=3 91 B14R1.483 CCOc1ccccc1NC(=O)CO WXVL_AG00184SB2706 [0,0,2,0,0,0|1,0,0]=3 92 B14R1.483 CCOc1ccccc1NC(=O)NC WXVL_AK00442YV0011 [0,0,2,0,0,0|1,0,0]=3 93 B14R1.483 CCOc1ccccc1NC(=O)NC WXVL_AK00442YV0011 [0,0,2,0,0,0|1,0,0]=3 94 B14R1.483 CCOc1cccnc1NC(=O)CO WXVL_AF0549SB2706 [0,0,2,0,0,0|2,0,0]=4 95 B14R1.483 CCOc1cccnc1NC(=O)CO WXVL_AF0549SB2706 [0,0,2,0,0,0|2,0,0]=4 96 B14R1.483 CCOc1ccncc1NC(=O)CO WXVL_AF0843SB2706 [0,0,2,0,0,0|2,0,0]=4 97 B14R1.483 CCOc1ccncc1NC(=O)CO WXVL_AF0843SB2706 [0,0,2,0,0,0|2,0,0]=4 98 B14R1.483 CCOc1ncccc1NC(=O)CO WXVL_AF1409SB2706 [0,0,2,0,0,0|2,0,0]=4 99 B14R1.483 CCOc1ncccc1NC(=O)CO WXVL_AF1409SB2706 [0,0,2,0,0,0|2,0,0]=4 100 B14R1.470 C#CC(=O)Nc1cccc(c1)CCO WXVL_AG2634SB0338 [0,0,2,0,0,0|2,0,0]=4 101 B14R1.470 C#CC(=O)Nc1cccc(c1)CCO WXVL_AG2634SB0338 [0,0,2,0,0,0|2,0,0]=4 102 B14R1.470 CCC(=O)Nc1cccc(c1)CCO WXVL_AG2634SB0064 [0,0,2,0,0,0|2,0,0]=4 103 B14R1.470 CCC(=O)Nc1cccc(c1)CCO WXVL_AG2634SB0064 [0,0,2,0,0,0|2,0,0]=4 104 B14R1.470 O=C(CO)Nc1cccc(c1)CCO WXVL_AG2634SB2706 [0,0,2,0,0,0|1,0,0]=3 105 B14R1.470 O=C(CO)Nc1cccc(c1)CCO WXVL_AG2634SB2706 [0,0,2,0,0,0|1,0,0]=3 106 B14R1.470 O=C(CO)Nc1ccnc(c1)CCO WXVL_AF00167SB2706 [0,0,2,0,0,0|2,0,0]=4 107 B14R1.470 O=C(CO)Nc1ccnc(c1)CCO WXVL_AF00167SB2706 [0,0,2,0,0,0|2,0,0]=4 108 B14R2.10782 CNC(=O)c1cccc2c1CCC2 WXVL_AK00442SE0876 [0,0,1,0,1,0|2,0,0]=4 109 B14R2.10782 CNC(=O)c1cccc2c1CCC2 WXVL_AK00442SE0876 [0,0,1,0,1,0|2,0,0]=4 110 B14R2.10782 CNC(=O)c1cccc2c1OCC2 WXVL_AK00442SE0019 [0,0,1,0,1,0|1,0,0]=3 111 B14R2.10782 CNC(=O)c1cccc2c1OCC2 WXVL_AK00442SE0019 [0,0,1,0,1,0|1,0,0]=3 112 B14R2.10782 CNC(=O)c1cccc2c1OCO2 WXVL_AK00442SE0136 [0,0,1,0,1,0|2,0,0]=4 113 B14R2.10782 CNC(=O)c1cccc2c1OCO2 WXVL_AK00442SE0136 [0,0,1,0,1,0|2,0,0]=4 114 B16R2.170412 C#CC(=O)Nc1cccc2c1OCCO2 WXVL_AG1039SB0338 [0,0,1,0,0,1|2,0,0]=4 115 B16R2.170412 C#CC(=O)Nc1cccc2c1OCCO2 WXVL_AG1039SB0338 [0,0,1,0,0,1|2,0,0]=4 116 B16R2.170412 CCC(=O)Nc1cccc2c1OCCO2 WXVL_AG1039SB0064 [0,0,1,0,0,1|2,0,0]=4 117 B16R2.170412 CCC(=O)Nc1cccc2c1OCCO2 WXVL_AG1039SB0064 [0,0,1,0,0,1|2,0,0]=4 118 B16R2.170412 O=C(CO)Nc1cccc2c1OCCO2 WXVL_AG1039SB2706 [0,0,1,0,0,1|1,0,0]=3 119 B16R2.170412 O=C(CO)Nc1cccc2c1OCCO2 WXVL_AG1039SB2706 [0,0,1,0,0,1|1,0,0]=3