0 B15R2.4 C#CC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0338 [0,1,0,0,0,0|0,0,1]=2 1 B15R2.4 C#CC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0338 [0,1,0,0,0,0|0,0,1]=2 2 B15R2.4 C#CC(=O)NC1CCc2c1nccc2 WXVL_AK2236SB0338 [0,1,0,0,0,0|1,0,1]=3 3 B15R2.4 C#CC(=O)NC1CCc2c1nccc2 WXVL_AK2236SB0338 [0,1,0,0,0,0|1,0,1]=3 4 B15R2.4 C#CC(=O)NC1COc2c1cccc2 WXVL_AK2368SB0338 [0,1,0,0,0,0|1,0,1]=3 5 B15R2.4 C#CC(=O)NC1COc2c1cccc2 WXVL_AK2368SB0338 [0,1,0,0,0,0|1,0,1]=3 6 B15R2.4 C#CC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0338 [0,1,0,0,0,0|0,0,1]=2 7 B15R2.4 C#CC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0338 [0,1,0,0,0,0|0,0,1]=2 8 B15R2.4 CCC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0064 [0,1,0,0,0,0|0,0,3]=4 9 B15R2.4 CCC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0064 [0,1,0,0,0,0|0,0,3]=4 10 B15R2.4 CCC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0064 [0,1,0,0,0,0|0,0,3]=4 11 B15R2.4 CCC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0064 [0,1,0,0,0,0|0,0,3]=4 12 B15R2.4 O=C(CO)NC1CCc2c1cccc2 WXVL_AK1156SB2706 [0,1,0,0,0,0|1,0,2]=4 13 B15R2.4 O=C(CO)NC1CCc2c1cccc2 WXVL_AK1156SB2706 [0,1,0,0,0,0|1,0,2]=4 14 B15R2.4 O=C(CO)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB2706 [0,1,0,0,0,0|1,0,2]=4 15 B15R2.4 O=C(CO)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB2706 [0,1,0,0,0,0|1,0,2]=4 16 B13R1.674 Cc1ccccc1C(=O)NCC#N WXVL_AK0683SD0037 [0,0,1,0,0,0|2,0,1]=4 17 B13R1.674 Cc1ccccc1C(=O)NCC#N WXVL_AK0683SD0037 [0,0,1,0,0,0|2,0,1]=4 18 B14R1.3297 C#CC(=O)NC(CC)c1cccnc1 WXVL_AK00757SB0338 [0,1,1,0,0,0|1,0,1]=4 19 B14R1.3297 C#CC(=O)NC(CC)c1cccnc1 WXVL_AK00757SB0338 [0,1,1,0,0,0|1,0,1]=4 20 B14R1.3297 C#CC(=O)NC(CC)c1ccncc1 WXVL_AK2375SB0338 [0,1,1,0,0,0|1,0,1]=4 21 B14R1.3297 C#CC(=O)NC(CC)c1ccncc1 WXVL_AK2375SB0338 [0,1,1,0,0,0|1,0,1]=4 22 B14R1.3297 C#CC(=O)N[C@@H](CC)c1ccccc1 WXVL_AK00525SB0338 [0,1,1,0,0,0|0,0,1]=3 23 B14R1.3297 C#CC(=O)N[C@@H](CC)c1ccccc1 WXVL_AK00525SB0338 [0,1,1,0,0,0|0,0,1]=3 24 B14R1.3297 C#CC(=O)N[C@@H](CO)c1ccccc1 WXVL_AK00486SB0338 [0,1,1,0,0,0|1,0,1]=4 25 B14R1.3297 C#CC(=O)N[C@@H](CO)c1ccccc1 WXVL_AK00486SB0338 [0,1,1,0,0,0|1,0,1]=4 26 B14R1.3297 C#CC(=O)N[C@H](CO)c1ccccc1 WXVL_AK0108SB0338 [0,1,1,0,0,0|1,0,1]=4 27 B14R1.3297 C#CC(=O)N[C@H](CO)c1ccccc1 WXVL_AK0108SB0338 [0,1,1,0,0,0|1,0,1]=4 28 B14R1.156 N#CCNC(=O)CCc1ccccc1 WXVL_AK0683SB0067 [0,1,1,0,0,0|1,0,1]=4 29 B14R1.156 N#CCNC(=O)CCc1ccccc1 WXVL_AK0683SB0067 [0,1,1,0,0,0|1,0,1]=4 30 B14R1.520 C#CCC(=O)NCCc1ccccc1 WXVL_AK00498SB3070 [0,1,1,0,0,0|2,0,0]=4 31 B14R1.520 C#CCC(=O)NCCc1ccccc1 WXVL_AK00498SB3070 [0,1,1,0,0,0|2,0,0]=4 32 B14R1.716 C#CC(=O)NCCCc1ccccc1 WXVL_AK0074SB0338 [0,1,1,0,0,0|0,0,1]=3 33 B14R1.716 C#CC(=O)NCCCc1ccccc1 WXVL_AK0074SB0338 [0,1,1,0,0,0|0,0,1]=3 34 B14R1.716 C#CC(=O)NCCCc1cccnc1 WXVL_AK2339SB0338 [0,1,1,0,0,0|1,0,1]=4 35 B14R1.716 C#CC(=O)NCCCc1cccnc1 WXVL_AK2339SB0338 [0,1,1,0,0,0|1,0,1]=4 36 B14R1.716 C#CC(=O)NCCCc1ccncc1 WXVL_AK1251SB0338 [0,1,1,0,0,0|1,0,1]=4 37 B14R1.716 C#CC(=O)NCCCc1ccncc1 WXVL_AK1251SB0338 [0,1,1,0,0,0|1,0,1]=4 38 B14R1.716 C#CC(=O)NCCNc1ccccc1 WXVL_AK2478SB0338 [0,1,1,0,0,0|1,0,1]=4 39 B14R1.716 C#CC(=O)NCCNc1ccccc1 WXVL_AK2478SB0338 [0,1,1,0,0,0|1,0,1]=4 40 B14R1.716 C#CC(=O)NCCOc1ccccc1 WXVL_AK0103SB0338 [0,1,1,0,0,0|1,0,1]=4 41 B14R1.716 C#CC(=O)NCCOc1ccccc1 WXVL_AK0103SB0338 [0,1,1,0,0,0|1,0,1]=4 42 B14R1.863 C#CC(=O)NCc1ccccc1CO WXVL_AK2264SB0338 [0,1,1,0,0,0|1,0,1]=4 43 B14R1.863 C#CC(=O)NCc1ccccc1CO WXVL_AK2264SB0338 [0,1,1,0,0,0|1,0,1]=4 44 B14R1.863 C#CC(=O)NCc1ccccc1OC WXVL_AK0039SB0338 [0,1,1,0,0,0|1,0,1]=4 45 B14R1.863 C#CC(=O)NCc1ccccc1OC WXVL_AK0039SB0338 [0,1,1,0,0,0|1,0,1]=4 46 B14R1.939 CCc1ccccc1C(=O)NCC#N WXVL_AK0683SD0112 [0,1,1,0,0,0|1,0,1]=4 47 B14R1.939 CCc1ccccc1C(=O)NCC#N WXVL_AK0683SD0112 [0,1,1,0,0,0|1,0,1]=4 48 B14R1.587 C#CC(=O)NC(C)c1ccccc1Br WXVL_AK2261SB0338 [0,1,1,0,0,0|1,0,1]=4 49 B14R1.587 C#CC(=O)NC(C)c1ccccc1Br WXVL_AK2261SB0338 [0,1,1,0,0,0|1,0,1]=4 50 B14R1.587 C#CC(=O)NC(C)c1ccccc1Cl WXVL_AK3561SB0338 [0,1,1,0,0,0|1,0,1]=4 51 B14R1.587 C#CC(=O)NC(C)c1ccccc1Cl WXVL_AK3561SB0338 [0,1,1,0,0,0|1,0,1]=4 52 B14R1.587 C#CC(=O)NC(C)c1ccccc1F WXVL_AK0973SB0338 [0,1,1,0,0,0|1,0,1]=4 53 B14R1.587 C#CC(=O)NC(C)c1ccccc1F WXVL_AK0973SB0338 [0,1,1,0,0,0|1,0,1]=4 54 B14R1.587 C#CC(=O)N[C@H](C)c1ccccc1C WXVL_AK00633SB0338 [0,1,1,0,0,0|0,0,1]=3 55 B14R1.587 C#CC(=O)N[C@H](C)c1ccccc1C WXVL_AK00633SB0338 [0,1,1,0,0,0|0,0,1]=3 56 B14R1.587 C#CC(=O)N[C@H](C)c1ccccc1Cl WXVL_AK00789SB0338 [0,1,1,0,0,0|1,0,1]=4 57 B14R1.587 C#CC(=O)N[C@H](C)c1ccccc1Cl WXVL_AK00789SB0338 [0,1,1,0,0,0|1,0,1]=4 58 B14R1.587 C#CC(=O)N[C@H](C)c1ccccc1F WXVL_AK00726SB0338 [0,1,1,0,0,0|1,0,1]=4 59 B14R1.587 C#CC(=O)N[C@H](C)c1ccccc1F WXVL_AK00726SB0338 [0,1,1,0,0,0|1,0,1]=4 60 B14R1.587 C#CC(=O)N[C@H](C)c1ccccc1O WXVL_AK3644SB0338 [0,1,1,0,0,0|1,0,1]=4 61 B14R1.587 C#CC(=O)N[C@H](C)c1ccccc1O WXVL_AK3644SB0338 [0,1,1,0,0,0|1,0,1]=4 62 B14R1.587 C#C[C@@H](C)NC(=O)c1ccccc1C WXVL_AK00735SD0037 [0,1,1,0,0,0|1,0,1]=4 63 B14R1.587 C#C[C@@H](C)NC(=O)c1ccccc1C WXVL_AK00735SD0037 [0,1,1,0,0,0|1,0,1]=4 64 B14R1.1035 C#CCCNC(=O)c1ccccc1C WXVL_AK3109SD0037 [0,1,1,0,0,0|1,0,1]=4 65 B14R1.1035 C#CCCNC(=O)c1ccccc1C WXVL_AK3109SD0037 [0,1,1,0,0,0|1,0,1]=4 66 B14R2.2 CC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0150 [1,1,0,0,0,0|0,0,2]=4 67 B14R2.2 CC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0150 [1,1,0,0,0,0|0,0,2]=4 68 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0150 [1,1,0,0,0,0|0,0,2]=4 69 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0150 [1,1,0,0,0,0|0,0,2]=4 70 B16R2.767 C#CCC(=O)N1CCc2ccccc2C1 WXVL_AN00480SB3070 [0,1,0,0,0,1|2,0,0]=4 71 B16R2.767 C#CCC(=O)N1CCc2ccccc2C1 WXVL_AN00480SB3070 [0,1,0,0,0,1|2,0,0]=4 72 B16R2.5347 C#CC(=O)NC1CCc2ccccc2C1 WXVL_AK00343SB0338 [0,1,0,0,0,1|0,0,1]=3 73 B16R2.5347 C#CC(=O)NC1CCc2ccccc2C1 WXVL_AK00343SB0338 [0,1,0,0,0,1|0,0,1]=3 74 B16R2.170412 C#CC(=O)NC1COCc2c1cccc2 WXVL_AK3889SB0338 [0,1,0,0,0,1|0,0,1]=3 75 B16R2.170412 C#CC(=O)NC1COCc2c1cccc2 WXVL_AK3889SB0338 [0,1,0,0,0,1|0,0,1]=3 76 B16R2.170412 C#CC(=O)N[C@@H]1CCCc2c1cccc2 WXVL_AK0134SB0338 [0,1,0,0,0,1|0,0,1]=3 77 B16R2.170412 C#CC(=O)N[C@@H]1CCCc2c1cccc2 WXVL_AK0134SB0338 [0,1,0,0,0,1|0,0,1]=3 78 B16R2.5 C#CCC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB3070 [0,2,0,0,0,0|0,0,0]=2 79 B16R2.5 C#CCC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB3070 [0,2,0,0,0,0|0,0,0]=2 80 B16R2.5 C#CCC(=O)NC1CCc2c1nccc2 WXVL_AK2236SB3070 [0,2,0,0,0,0|1,0,0]=3 81 B16R2.5 C#CCC(=O)NC1CCc2c1nccc2 WXVL_AK2236SB3070 [0,2,0,0,0,0|1,0,0]=3 82 B16R2.5 C#CCC(=O)NC1COc2c1cccc2 WXVL_AK2368SB3070 [0,2,0,0,0,0|1,0,0]=3 83 B16R2.5 C#CCC(=O)NC1COc2c1cccc2 WXVL_AK2368SB3070 [0,2,0,0,0,0|1,0,0]=3 84 B16R2.5 C#CCC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB3070 [0,2,0,0,0,0|0,0,0]=2 85 B16R2.5 C#CCC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB3070 [0,2,0,0,0,0|0,0,0]=2 86 B16R2.5 C=CCC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB2732 [0,2,0,0,0,0|0,0,2]=4 87 B16R2.5 C=CCC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB2732 [0,2,0,0,0,0|0,0,2]=4 88 B16R2.5 C=CCC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB2732 [0,2,0,0,0,0|0,0,2]=4 89 B16R2.5 C=CCC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB2732 [0,2,0,0,0,0|0,0,2]=4 90 B16R2.5 CC#CC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB1240 [0,2,0,0,0,0|0,0,1]=3 91 B16R2.5 CC#CC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB1240 [0,2,0,0,0,0|0,0,1]=3 92 B16R2.5 CC#CC(=O)NC1CCc2c1nccc2 WXVL_AK2236SB1240 [0,2,0,0,0,0|1,0,1]=4 93 B16R2.5 CC#CC(=O)NC1CCc2c1nccc2 WXVL_AK2236SB1240 [0,2,0,0,0,0|1,0,1]=4 94 B16R2.5 CC#CC(=O)NC1COc2c1cccc2 WXVL_AK2368SB1240 [0,2,0,0,0,0|1,0,1]=4 95 B16R2.5 CC#CC(=O)NC1COc2c1cccc2 WXVL_AK2368SB1240 [0,2,0,0,0,0|1,0,1]=4 96 B16R2.5 CC#CC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB1240 [0,2,0,0,0,0|0,0,1]=3 97 B16R2.5 CC#CC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB1240 [0,2,0,0,0,0|0,0,1]=3 98 B16R2.5 CCCC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0073 [0,2,0,0,0,0|0,0,2]=4 99 B16R2.5 CCCC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0073 [0,2,0,0,0,0|0,0,2]=4 100 B16R2.5 CCCC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0073 [0,2,0,0,0,0|0,0,2]=4 101 B16R2.5 CCCC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0073 [0,2,0,0,0,0|0,0,2]=4 102 B16R2.5 COCC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0090 [0,2,0,0,0,0|1,0,1]=4 103 B16R2.5 COCC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0090 [0,2,0,0,0,0|1,0,1]=4 104 B16R2.5 COCC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0090 [0,2,0,0,0,0|1,0,1]=4 105 B16R2.5 COCC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0090 [0,2,0,0,0,0|1,0,1]=4 106 B16R2.5 CSCC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB1267 [0,2,0,0,0,0|1,0,1]=4 107 B16R2.5 CSCC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB1267 [0,2,0,0,0,0|1,0,1]=4 108 B16R2.5 CSCC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB1267 [0,2,0,0,0,0|1,0,1]=4 109 B16R2.5 CSCC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB1267 [0,2,0,0,0,0|1,0,1]=4 110 B16R2.5 N#CCC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0057 [0,2,0,0,0,0|1,0,0]=3 111 B16R2.5 N#CCC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0057 [0,2,0,0,0,0|1,0,0]=3 112 B16R2.5 N#CCC(=O)NC1CCc2c1nccc2 WXVL_AK2236SB0057 [0,2,0,0,0,0|2,0,0]=4 113 B16R2.5 N#CCC(=O)NC1CCc2c1nccc2 WXVL_AK2236SB0057 [0,2,0,0,0,0|2,0,0]=4 114 B16R2.5 N#CCC(=O)NC1COc2c1cccc2 WXVL_AK2368SB0057 [0,2,0,0,0,0|2,0,0]=4 115 B16R2.5 N#CCC(=O)NC1COc2c1cccc2 WXVL_AK2368SB0057 [0,2,0,0,0,0|2,0,0]=4 116 B16R2.5 N#CCC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0057 [0,2,0,0,0,0|1,0,0]=3 117 B16R2.5 N#CCC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0057 [0,2,0,0,0,0|1,0,0]=3 118 B16R2.140 C#CC(=O)N[C@H]1CCc2c1cccc2Br WXVL_AK00324SB0338 [0,2,0,0,0,0|0,0,1]=3 119 B16R2.140 C#CC(=O)N[C@H]1CCc2c1cccc2Br WXVL_AK00324SB0338 [0,2,0,0,0,0|0,0,1]=3 120 B16R2.33562 C#CC(=O)N[C@@H]1c2ccccc2C[C@@H]1O WXVL_AK0738SB0338 [0,2,0,0,0,0|0,0,1]=3 121 B16R2.33562 C#CC(=O)N[C@@H]1c2ccccc2C[C@@H]1O WXVL_AK0738SB0338 [0,2,0,0,0,0|0,0,1]=3 122 B16R2.176359 C#CC(=O)NC1CCc2c1cc(cc2)Br WXVL_AK0489SB0338 [0,2,0,0,0,0|0,0,1]=3 123 B16R2.176359 C#CC(=O)NC1CCc2c1cc(cc2)Br WXVL_AK0489SB0338 [0,2,0,0,0,0|0,0,1]=3 124 B16R2.176359 C#CC(=O)NC1CCc2c1cc(cc2)Cl WXVL_AK2677SB0338 [0,2,0,0,0,0|0,0,1]=3 125 B16R2.176359 C#CC(=O)NC1CCc2c1cc(cc2)Cl WXVL_AK2677SB0338 [0,2,0,0,0,0|0,0,1]=3 126 B16R2.176359 C#CC(=O)NC1COc2c1cc(cc2)Cl WXVL_AK4863SB0338 [0,2,0,0,0,0|1,0,1]=4 127 B16R2.176359 C#CC(=O)NC1COc2c1cc(cc2)Cl WXVL_AK4863SB0338 [0,2,0,0,0,0|1,0,1]=4 128 B16R2.176359 C#CC(=O)N[C@@H]1CCc2c1cc(cc2)Br WXVL_AK00393SB0338 [0,2,0,0,0,0|0,0,1]=3 129 B16R2.176359 C#CC(=O)N[C@@H]1CCc2c1cc(cc2)Br WXVL_AK00393SB0338 [0,2,0,0,0,0|0,0,1]=3 130 B16R2.37 C=CCNC(=O)C1CCc2c1cccc2 WXVL_AK00561SB3073 [0,2,0,0,0,0|0,0,2]=4 131 B16R2.37 C=CCNC(=O)C1CCc2c1cccc2 WXVL_AK00561SB3073 [0,2,0,0,0,0|0,0,2]=4 132 B16R2.37 CCCNC(=O)C1CCc2c1cccc2 WXVL_AK00504SB3073 [0,2,0,0,0,0|0,0,2]=4 133 B16R2.37 CCCNC(=O)C1CCc2c1cccc2 WXVL_AK00504SB3073 [0,2,0,0,0,0|0,0,2]=4 134 B16R2.37 N#CCNC(=O)C1CCc2c1cccc2 WXVL_AK0683SB3073 [0,2,0,0,0,0|1,0,0]=3 135 B16R2.37 N#CCNC(=O)C1CCc2c1cccc2 WXVL_AK0683SB3073 [0,2,0,0,0,0|1,0,0]=3 136 B16R2.37 O=C(NCCF)C1CCc2c1cccc2 WXVL_AK00466SB3073 [0,2,0,0,0,0|1,0,1]=4 137 B16R2.37 O=C(NCCF)C1CCc2c1cccc2 WXVL_AK00466SB3073 [0,2,0,0,0,0|1,0,1]=4