0 B13R1.135 C=C(Cc1ccccc1)C(=O)NC WXVL_AK00442SB0413 [0,0,1,0,0,0|2,0,1]=4 1 B13R1.135 C=C(Cc1ccccc1)C(=O)NC WXVL_AK00442SB0413 [0,0,1,0,0,0|2,0,1]=4 2 B13R1.135 CN(Cc1ccccc1)C(=O)CO WXVL_AN0033SB2706 [0,0,1,0,0,0|3,0,0]=4 3 B13R1.135 CN(Cc1ccccc1)C(=O)CO WXVL_AN0033SB2706 [0,0,1,0,0,0|3,0,0]=4 4 B13R1.135 CNC(=O)C(C)Cc1ccccc1 WXVL_AK00442SB3205 [0,0,1,0,0,0|2,0,0]=3 5 B13R1.135 CNC(=O)C(C)Cc1ccccc1 WXVL_AK00442SB3205 [0,0,1,0,0,0|2,0,0]=3 6 B13R1.135 CNC(=O)C(C)Cc1ccccn1 WXVL_AK00442SA0686 [0,0,1,0,0,0|3,0,0]=4 7 B13R1.135 CNC(=O)C(C)Cc1ccccn1 WXVL_AK00442SA0686 [0,0,1,0,0,0|3,0,0]=4 8 B13R1.135 CNC(=O)C(C)Oc1ccccc1 WXVL_AK00442SB0426 [0,0,1,0,0,0|3,0,0]=4 9 B13R1.135 CNC(=O)C(C)Oc1ccccc1 WXVL_AK00442SB0426 [0,0,1,0,0,0|3,0,0]=4 10 B13R1.135 CNC(=O)C(C)Sc1ccccc1 WXVL_AK00442SB9992 [0,0,1,0,0,0|3,0,0]=4 11 B13R1.135 CNC(=O)C(C)Sc1ccccc1 WXVL_AK00442SB9992 [0,0,1,0,0,0|3,0,0]=4 12 B13R1.135 CNC(=O)[C@@H](C)Oc1ccccc1 WXVL_AK00442SB5803 [0,0,1,0,0,0|3,0,0]=4 13 B13R1.135 CNC(=O)[C@@H](C)Oc1ccccc1 WXVL_AK00442SB5803 [0,0,1,0,0,0|3,0,0]=4 14 B13R1.152 CN(C)C(=O)C(O)c1ccccc1 WXVL_AN0032SB0168 [0,0,1,0,0,0|3,0,0]=4 15 B13R1.152 CN(C)C(=O)C(O)c1ccccc1 WXVL_AN0032SB0168 [0,0,1,0,0,0|3,0,0]=4 16 B12R1.371 C#CC(=O)Nc1ccccc1C WXVL_AG0027SB0338 [1,0,1,0,0,0|1,0,1]=4 17 B12R1.371 C#CC(=O)Nc1ccccc1C WXVL_AG0027SB0338 [1,0,1,0,0,0|1,0,1]=4 18 B12R1.371 CCC(=O)Nc1ccccc1Br WXVL_AG00180SB0064 [1,0,1,0,0,0|2,0,0]=4 19 B12R1.371 CCC(=O)Nc1ccccc1Br WXVL_AG00180SB0064 [1,0,1,0,0,0|2,0,0]=4 20 B12R1.371 CCC(=O)Nc1ccccc1C WXVL_AG0027SB0064 [1,0,1,0,0,0|1,0,0]=3 21 B12R1.371 CCC(=O)Nc1ccccc1C WXVL_AG0027SB0064 [1,0,1,0,0,0|1,0,0]=3 22 B12R1.371 CCC(=O)Nc1ccccc1Cl WXVL_AG00129SB0064 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.371 CCC(=O)Nc1ccccc1Cl WXVL_AG00129SB0064 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.371 CCC(=O)Nc1ccccc1I WXVL_AG0385SB0064 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.371 CCC(=O)Nc1ccccc1I WXVL_AG0385SB0064 [1,0,1,0,0,0|2,0,0]=4 26 B12R1.371 CCC(=O)Nc1cccnc1C WXVL_AF0055SB0064 [1,0,1,0,0,0|2,0,0]=4 27 B12R1.371 CCC(=O)Nc1cccnc1C WXVL_AF0055SB0064 [1,0,1,0,0,0|2,0,0]=4 28 B12R1.371 CCC(=O)Nc1ccncc1C WXVL_AF0049SB0064 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.371 CCC(=O)Nc1ccncc1C WXVL_AF0049SB0064 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.371 CCC(=O)Nc1cnccc1C WXVL_AF0075SB0064 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.371 CCC(=O)Nc1cnccc1C WXVL_AF0075SB0064 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.371 CCC(=O)Nc1ncccc1C WXVL_AF0013SB0064 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.371 CCC(=O)Nc1ncccc1C WXVL_AF0013SB0064 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.371 CNC(=O)Nc1ccccc1C WXVL_AK00442YV0013 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.371 CNC(=O)Nc1ccccc1C WXVL_AK00442YV0013 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.371 Cc1ccccc1NC(=O)CO WXVL_AG0027SB2706 [1,0,1,0,0,0|1,0,0]=3 37 B12R1.371 Cc1ccccc1NC(=O)CO WXVL_AG0027SB2706 [1,0,1,0,0,0|1,0,0]=3 38 B12R1.371 Cc1cccnc1NC(=O)CO WXVL_AF0013SB2706 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.371 Cc1cccnc1NC(=O)CO WXVL_AF0013SB2706 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.371 Cc1ccncc1NC(=O)CO WXVL_AF0075SB2706 [1,0,1,0,0,0|2,0,0]=4 41 B12R1.371 Cc1ccncc1NC(=O)CO WXVL_AF0075SB2706 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.371 Cc1cnccc1NC(=O)CO WXVL_AF0049SB2706 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.371 Cc1cnccc1NC(=O)CO WXVL_AF0049SB2706 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.371 Cc1ncccc1NC(=O)CO WXVL_AF0055SB2706 [1,0,1,0,0,0|2,0,0]=4 45 B12R1.371 Cc1ncccc1NC(=O)CO WXVL_AF0055SB2706 [1,0,1,0,0,0|2,0,0]=4 46 B12R1.371 O=C(CO)Nc1ccccc1Br WXVL_AG00180SB2706 [1,0,1,0,0,0|2,0,0]=4 47 B12R1.371 O=C(CO)Nc1ccccc1Br WXVL_AG00180SB2706 [1,0,1,0,0,0|2,0,0]=4 48 B12R1.371 O=C(CO)Nc1ccccc1Cl WXVL_AG00129SB2706 [1,0,1,0,0,0|2,0,0]=4 49 B12R1.371 O=C(CO)Nc1ccccc1Cl WXVL_AG00129SB2706 [1,0,1,0,0,0|2,0,0]=4 50 B12R1.371 O=C(CO)Nc1ccccc1I WXVL_AG0385SB2706 [1,0,1,0,0,0|2,0,0]=4 51 B12R1.371 O=C(CO)Nc1ccccc1I WXVL_AG0385SB2706 [1,0,1,0,0,0|2,0,0]=4 52 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [1,0,1,0,0,0|1,0,0]=3 53 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [1,0,1,0,0,0|1,0,0]=3 54 B12R1.27 CNC(=O)CCc1ccccn1 WXVL_AK00442SA0316 [1,0,1,0,0,0|2,0,0]=4 55 B12R1.27 CNC(=O)CCc1ccccn1 WXVL_AK00442SA0316 [1,0,1,0,0,0|2,0,0]=4 56 B12R1.27 CNC(=O)CCc1cccnc1 WXVL_AK00442SA0031 [1,0,1,0,0,0|2,0,0]=4 57 B12R1.27 CNC(=O)CCc1cccnc1 WXVL_AK00442SA0031 [1,0,1,0,0,0|2,0,0]=4 58 B12R1.27 CNC(=O)COc1ccccc1 WXVL_AK00442SB0086 [1,0,1,0,0,0|2,0,0]=4 59 B12R1.27 CNC(=O)COc1ccccc1 WXVL_AK00442SB0086 [1,0,1,0,0,0|2,0,0]=4 60 B12R1.27 CNC(=O)CSc1ccccc1 WXVL_AK00442SB0113 [1,0,1,0,0,0|2,0,0]=4 61 B12R1.27 CNC(=O)CSc1ccccc1 WXVL_AK00442SB0113 [1,0,1,0,0,0|2,0,0]=4 62 B12R1.27 O=C(CO)NCc1ccccc1 WXVL_AK00502SB2706 [1,0,1,0,0,0|2,0,0]=4 63 B12R1.27 O=C(CO)NCc1ccccc1 WXVL_AK00502SB2706 [1,0,1,0,0,0|2,0,0]=4 64 B12R1.43 C=C(Cc1ccccc1)C(=O)N WXVL_AK0084SB0413 [1,0,1,0,0,0|1,0,1]=4 65 B12R1.43 C=C(Cc1ccccc1)C(=O)N WXVL_AK0084SB0413 [1,0,1,0,0,0|1,0,1]=4 66 B12R1.43 CC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB0051 [1,0,1,0,0,0|1,0,1]=4 67 B12R1.43 CC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB0051 [1,0,1,0,0,0|1,0,1]=4 68 B12R1.43 CC(C)C(=O)Nc1ccccc1 WXVL_AG00183SB0052 [1,0,1,0,0,0|1,0,0]=3 69 B12R1.43 CC(C)C(=O)Nc1ccccc1 WXVL_AG00183SB0052 [1,0,1,0,0,0|1,0,0]=3 70 B12R1.43 CC(C)C(=O)Nc1ccccn1 WXVL_AF00298SB0052 [1,0,1,0,0,0|2,0,0]=4 71 B12R1.43 CC(C)C(=O)Nc1ccccn1 WXVL_AF00298SB0052 [1,0,1,0,0,0|2,0,0]=4 72 B12R1.43 CC(Cc1ccccc1)C(=O)N WXVL_AK0084SB3205 [1,0,1,0,0,0|1,0,0]=3 73 B12R1.43 CC(Cc1ccccc1)C(=O)N WXVL_AK0084SB3205 [1,0,1,0,0,0|1,0,0]=3 74 B12R1.43 CC(Cc1ccccn1)C(=O)N WXVL_AK0084SA0686 [1,0,1,0,0,0|2,0,0]=4 75 B12R1.43 CC(Cc1ccccn1)C(=O)N WXVL_AK0084SA0686 [1,0,1,0,0,0|2,0,0]=4 76 B12R1.43 CC(Oc1ccccc1)C(=O)N WXVL_AK0084SB0426 [1,0,1,0,0,0|2,0,0]=4 77 B12R1.43 CC(Oc1ccccc1)C(=O)N WXVL_AK0084SB0426 [1,0,1,0,0,0|2,0,0]=4 78 B12R1.43 CC(S)C(=O)Nc1ccccc1 WXVL_AG00183SB2708 [1,0,1,0,0,0|1,0,0]=3 79 B12R1.43 CC(S)C(=O)Nc1ccccc1 WXVL_AG00183SB2708 [1,0,1,0,0,0|1,0,0]=3 80 B12R1.43 CC(S)C(=O)Nc1ccccn1 WXVL_AF00298SB2708 [1,0,1,0,0,0|2,0,0]=4 81 B12R1.43 CC(S)C(=O)Nc1ccccn1 WXVL_AF00298SB2708 [1,0,1,0,0,0|2,0,0]=4 82 B12R1.43 CC(Sc1ccccc1)C(=O)N WXVL_AK0084SB9992 [1,0,1,0,0,0|2,0,0]=4 83 B12R1.43 CC(Sc1ccccc1)C(=O)N WXVL_AK0084SB9992 [1,0,1,0,0,0|2,0,0]=4 84 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 WXVL_AG00183SB1085 [1,0,1,0,0,0|1,0,0]=3 85 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 WXVL_AG00183SB1085 [1,0,1,0,0,0|1,0,0]=3 86 B12R1.43 C[C@@H](O)C(=O)Nc1ccccn1 WXVL_AF00298SB1085 [1,0,1,0,0,0|2,0,0]=4 87 B12R1.43 C[C@@H](O)C(=O)Nc1ccccn1 WXVL_AF00298SB1085 [1,0,1,0,0,0|2,0,0]=4 88 B12R1.43 C[C@@H](Oc1ccccc1)C(=O)N WXVL_AK0084SB5803 [1,0,1,0,0,0|2,0,0]=4 89 B12R1.43 C[C@@H](Oc1ccccc1)C(=O)N WXVL_AK0084SB5803 [1,0,1,0,0,0|2,0,0]=4 90 B12R1.43 NC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB0128 [1,0,1,0,0,0|1,0,1]=4 91 B12R1.43 NC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB0128 [1,0,1,0,0,0|1,0,1]=4 92 B12R1.43 O=C(Nc1ccccc1)C(F)F WXVL_AG00183SB0079 [1,0,1,0,0,0|2,0,0]=4 93 B12R1.43 O=C(Nc1ccccc1)C(F)F WXVL_AG00183SB0079 [1,0,1,0,0,0|2,0,0]=4 94 B12R1.34 CNC(=O)C(O)c1ccccc1 WXVL_AK00442SB0168 [1,0,1,0,0,0|2,0,0]=4 95 B12R1.34 CNC(=O)C(O)c1ccccc1 WXVL_AK00442SB0168 [1,0,1,0,0,0|2,0,0]=4 96 B12R1.124 NC(=O)[C@H](O)c1ccccc1Cl WXVL_AK0084SB3309 [1,0,1,0,0,0|2,0,0]=4 97 B12R1.124 NC(=O)[C@H](O)c1ccccc1Cl WXVL_AK0084SB3309 [1,0,1,0,0,0|2,0,0]=4 98 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 WXVL_AK00476SB3205 [0,1,1,0,0,0|2,0,0]=4 99 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 WXVL_AK00476SB3205 [0,1,1,0,0,0|2,0,0]=4 100 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)F WXVL_AK00442SB0221 [0,1,1,0,0,0|2,0,0]=4 101 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)F WXVL_AK00442SB0221 [0,1,1,0,0,0|2,0,0]=4 102 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)O WXVL_AK00442SB4752 [0,1,1,0,0,0|2,0,0]=4 103 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)O WXVL_AK00442SB4752 [0,1,1,0,0,0|2,0,0]=4 104 B14R1.135 CNC(=O)C(C)Cc1cccc(c1)Br WXVL_AK00442SB6322 [0,1,1,0,0,0|2,0,0]=4 105 B14R1.135 CNC(=O)C(C)Cc1cccc(c1)Br WXVL_AK00442SB6322 [0,1,1,0,0,0|2,0,0]=4 106 B14R1.425 CC(Cc1ccccc1)C(=O)N(C)C WXVL_AN0032SB3205 [0,1,1,0,0,0|2,0,0]=4 107 B14R1.425 CC(Cc1ccccc1)C(=O)N(C)C WXVL_AN0032SB3205 [0,1,1,0,0,0|2,0,0]=4 108 B14R1.1107 CNC(=O)C(C)(C)Cc1ccccc1 WXVL_AK00442SB3630 [0,1,1,0,0,0|2,0,0]=4 109 B14R1.1107 CNC(=O)C(C)(C)Cc1ccccc1 WXVL_AK00442SB3630 [0,1,1,0,0,0|2,0,0]=4 110 B14R1.150 CC(C)C(=O)N(C)c1cccc(c1)N WXVL_AG3393SB0052 [0,1,1,0,0,0|2,0,0]=4 111 B14R1.150 CC(C)C(=O)N(C)c1cccc(c1)N WXVL_AG3393SB0052 [0,1,1,0,0,0|2,0,0]=4 112 B14R1.150 CC(S)C(=O)N(C)c1cccc(c1)N WXVL_AG3393SB2708 [0,1,1,0,0,0|2,0,0]=4 113 B14R1.150 CC(S)C(=O)N(C)c1cccc(c1)N WXVL_AG3393SB2708 [0,1,1,0,0,0|2,0,0]=4 114 B14R1.150 C[C@@H](O)C(=O)N(C)c1cccc(c1)N WXVL_AG3393SB1085 [0,1,1,0,0,0|2,0,0]=4 115 B14R1.150 C[C@@H](O)C(=O)N(C)c1cccc(c1)N WXVL_AG3393SB1085 [0,1,1,0,0,0|2,0,0]=4 116 B14R2.958 CNC(=O)C1CC1c2ccccc2 WXVL_AK00442SB2474 [0,0,1,1,0,0|2,0,0]=4 117 B14R2.958 CNC(=O)C1CC1c2ccccc2 WXVL_AK00442SB2474 [0,0,1,1,0,0|2,0,0]=4 118 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 WXVL_AK00442SB3176 [0,0,1,1,0,0|2,0,0]=4 119 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 WXVL_AK00442SB3176 [0,0,1,1,0,0|2,0,0]=4 120 B14R2.972 CNC(=O)C1Cc2ccccc2O1 WXVL_AK00442SB0867 [0,0,1,1,0,0|2,0,0]=4 121 B14R2.972 CNC(=O)C1Cc2ccccc2O1 WXVL_AK00442SB0867 [0,0,1,1,0,0|2,0,0]=4 122 B14R1.417 CC(C)NC(=O)C(O)c1ccccc1 WXVL_AK0030SB0168 [0,0,1,0,0,1|2,0,0]=4 123 B14R1.417 CC(C)NC(=O)C(O)c1ccccc1 WXVL_AK0030SB0168 [0,0,1,0,0,1|2,0,0]=4