0 B9R1.15 CNc1ncncc1Br WXVL_AK00442LQ2111 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.15 CNc1ncncc1Br WXVL_AK00442LQ2111 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.15 CNc1ncncc1C WXVL_AK00442LP0053 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.15 CNc1ncncc1C WXVL_AK00442LP0053 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 CNc1ncncc1F WXVL_AK00442LP0435 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.15 CNc1ncncc1F WXVL_AK00442LP0435 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.15 CNc1ncncc1I WXVL_AK00442LP3348 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.15 CNc1ncncc1I WXVL_AK00442LP3348 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.2 CNc1ccncn1 WXVL_AK00442LP3358 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.2 CNc1ccncn1 WXVL_AK00442LP3358 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.2 CNc1ncccn1 WXVL_AK00442LP0002 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.2 CNc1ncccn1 WXVL_AK00442LP0002 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.20 CNc1ncncc1OC WXVL_AK00442LP0652 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.20 CNc1ncncc1OC WXVL_AK00442LP0652 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.61 Cc1ccccc1C(=O)N WXVL_AK0084SD0037 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.61 Cc1ccccc1C(=O)N WXVL_AK0084SD0037 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.61 NC(=O)c1ccccc1Br WXVL_AK0084SD0002 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.61 NC(=O)c1ccccc1Br WXVL_AK0084SD0002 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.61 NC(=O)c1ccccc1Cl WXVL_AK0084SD0006 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.61 NC(=O)c1ccccc1Cl WXVL_AK0084SD0006 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.61 NC(=O)c1ccccc1F WXVL_AK0084SD0003 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.61 NC(=O)c1ccccc1F WXVL_AK0084SD0003 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.61 NC(=O)c1ccccc1I WXVL_AK0084SD0303 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.61 NC(=O)c1ccccc1I WXVL_AK0084SD0303 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.61 NC(=O)c1ccccc1O WXVL_AK0084SD00056 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.61 NC(=O)c1ccccc1O WXVL_AK0084SD00056 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.61 NC(=O)c1ccccc1S WXVL_AK0084SD0153 [0,1,0,0,0,0|2,1,0]=4 27 B10R1.61 NC(=O)c1ccccc1S WXVL_AK0084SD0153 [0,1,0,0,0,0|2,1,0]=4 28 B10R1.61 NC(=O)c1cccnc1O WXVL_AK0084SC0063 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.61 NC(=O)c1cccnc1O WXVL_AK0084SC0063 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.61 NC(=O)c1ccncc1O WXVL_AK0084SC0354 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.61 NC(=O)c1ccncc1O WXVL_AK0084SC0354 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.6 NC(=O)c1ccccc1 WXVL_AK0084SD0001 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.6 NC(=O)c1ccccc1 WXVL_AK0084SD0001 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.159 Cc1cccc(c1O)C(=O)N WXVL_AK0084SD1710 [0,2,0,0,0,0|2,0,0]=4 35 B11R1.159 Cc1cccc(c1O)C(=O)N WXVL_AK0084SD1710 [0,2,0,0,0,0|2,0,0]=4 36 B11R1.159 NC(=O)c1cccc(c1O)Br WXVL_AK0084SD0745 [0,2,0,0,0,0|2,0,0]=4 37 B11R1.159 NC(=O)c1cccc(c1O)Br WXVL_AK0084SD0745 [0,2,0,0,0,0|2,0,0]=4 38 B11R1.159 NC(=O)c1cccc(c1O)Cl WXVL_AK0084SD0178 [0,2,0,0,0,0|2,0,0]=4 39 B11R1.159 NC(=O)c1cccc(c1O)Cl WXVL_AK0084SD0178 [0,2,0,0,0,0|2,0,0]=4 40 B11R1.159 NC(=O)c1cccc(c1O)F WXVL_AK0084SD0514 [0,2,0,0,0,0|2,0,0]=4 41 B11R1.159 NC(=O)c1cccc(c1O)F WXVL_AK0084SD0514 [0,2,0,0,0,0|2,0,0]=4 42 B11R1.159 NC(=O)c1cccc(c1O)O WXVL_AK0084SD0025 [0,2,0,0,0,0|2,0,0]=4 43 B11R1.159 NC(=O)c1cccc(c1O)O WXVL_AK0084SD0025 [0,2,0,0,0,0|2,0,0]=4 44 B11R1.86 CC(=O)Nc1ccccc1Br WXVL_AG00180SB0150 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.86 CC(=O)Nc1ccccc1Br WXVL_AG00180SB0150 [0,2,0,0,0,0|2,0,0]=4 46 B11R1.86 CC(=O)Nc1ccccc1C WXVL_AG0027SB0150 [0,2,0,0,0,0|2,0,0]=4 47 B11R1.86 CC(=O)Nc1ccccc1C WXVL_AG0027SB0150 [0,2,0,0,0,0|2,0,0]=4 48 B11R1.86 CC(=O)Nc1ccccc1Cl WXVL_AG00129SB0150 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.86 CC(=O)Nc1ccccc1Cl WXVL_AG00129SB0150 [0,2,0,0,0,0|2,0,0]=4 50 B11R1.86 CC(=O)Nc1ccccc1I WXVL_AG0385SB0150 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.86 CC(=O)Nc1ccccc1I WXVL_AG0385SB0150 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.86 CC(=O)Nc1cccnc1O WXVL_AF0440SB0150 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.86 CC(=O)Nc1cccnc1O WXVL_AF0440SB0150 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.86 CC(=O)Nc1ccncc1O WXVL_AF0234SB0150 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.86 CC(=O)Nc1ccncc1O WXVL_AF0234SB0150 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.86 CC(=O)Nc1ncccc1O WXVL_AF0347SB0150 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.86 CC(=O)Nc1ncccc1O WXVL_AF0347SB0150 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.86 NC(=O)Cc1ccccc1O WXVL_AK0084SB0400 [0,2,0,0,0,0|1,0,1]=4 59 B11R1.86 NC(=O)Cc1ccccc1O WXVL_AK0084SB0400 [0,2,0,0,0,0|1,0,1]=4 60 B11R1.222 CNC(=O)c1ccccc1Br WXVL_AK00442SD0002 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.222 CNC(=O)c1ccccc1Br WXVL_AK00442SD0002 [0,2,0,0,0,0|2,0,0]=4 62 B11R1.222 CNC(=O)c1ccccc1C WXVL_AK00442SD0037 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.222 CNC(=O)c1ccccc1C WXVL_AK00442SD0037 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.222 CNC(=O)c1ccccc1Cl WXVL_AK00442SD0006 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.222 CNC(=O)c1ccccc1Cl WXVL_AK00442SD0006 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.222 CNC(=O)c1ccccc1F WXVL_AK00442SD0003 [0,2,0,0,0,0|2,0,0]=4 67 B11R1.222 CNC(=O)c1ccccc1F WXVL_AK00442SD0003 [0,2,0,0,0,0|2,0,0]=4 68 B11R1.222 CNC(=O)c1ccccc1I WXVL_AK00442SD0303 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.222 CNC(=O)c1ccccc1I WXVL_AK00442SD0303 [0,2,0,0,0,0|2,0,0]=4 70 B11R1.222 CNC(=O)c1ccccc1O WXVL_AK00442SD00056 [0,2,0,0,0,0|1,0,0]=3 71 B11R1.222 CNC(=O)c1ccccc1O WXVL_AK00442SD00056 [0,2,0,0,0,0|1,0,0]=3 72 B11R1.222 CNC(=O)c1ccccc1S WXVL_AK00442SD0153 [0,2,0,0,0,0|1,1,0]=4 73 B11R1.222 CNC(=O)c1ccccc1S WXVL_AK00442SD0153 [0,2,0,0,0,0|1,1,0]=4 74 B11R1.222 CNC(=O)c1cccnc1O WXVL_AK00442SC0063 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.222 CNC(=O)c1cccnc1O WXVL_AK00442SC0063 [0,2,0,0,0,0|2,0,0]=4 76 B11R1.222 CNC(=O)c1ccncc1O WXVL_AK00442SC0354 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.222 CNC(=O)c1ccncc1O WXVL_AK00442SC0354 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.53 CCc1ccccc1C(=O)N WXVL_AK0084SD0112 [0,2,0,0,0,0|1,0,1]=4 79 B11R1.53 CCc1ccccc1C(=O)N WXVL_AK0084SD0112 [0,2,0,0,0,0|1,0,1]=4 80 B11R1.53 COc1ccccc1C(=O)N WXVL_AK0084SD0016 [0,2,0,0,0,0|0,0,1]=3 81 B11R1.53 COc1ccccc1C(=O)N WXVL_AK0084SD0016 [0,2,0,0,0,0|0,0,1]=3 82 B11R1.53 COc1cccnc1C(=O)N WXVL_AK0084SC0817 [0,2,0,0,0,0|1,0,1]=4 83 B11R1.53 COc1cccnc1C(=O)N WXVL_AK0084SC0817 [0,2,0,0,0,0|1,0,1]=4 84 B11R1.53 COc1ncccc1C(=O)N WXVL_AK0084SC0078 [0,2,0,0,0,0|1,0,1]=4 85 B11R1.53 COc1ncccc1C(=O)N WXVL_AK0084SC0078 [0,2,0,0,0,0|1,0,1]=4 86 B11R1.53 CSc1ccccc1C(=O)N WXVL_AK0084SD0102 [0,2,0,0,0,0|0,1,1]=4 87 B11R1.53 CSc1ccccc1C(=O)N WXVL_AK0084SD0102 [0,2,0,0,0,0|0,1,1]=4 88 B11R1.53 NC(=O)c1ccccc1CO WXVL_AK0084SD1772 [0,2,0,0,0,0|2,0,0]=4 89 B11R1.53 NC(=O)c1ccccc1CO WXVL_AK0084SD1772 [0,2,0,0,0,0|2,0,0]=4 90 B11R1.166 Cc1ccc(c(c1)O)C(=O)N WXVL_AK0084SD0148 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.166 Cc1ccc(c(c1)O)C(=O)N WXVL_AK0084SD0148 [0,2,0,0,0,0|2,0,0]=4 92 B11R1.166 NC(=O)c1ccc(cc1O)Br WXVL_AK0084SD0411 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.166 NC(=O)c1ccc(cc1O)Br WXVL_AK0084SD0411 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.166 NC(=O)c1ccc(cc1O)Cl WXVL_AK0084SD0550 [0,2,0,0,0,0|2,0,0]=4 95 B11R1.166 NC(=O)c1ccc(cc1O)Cl WXVL_AK0084SD0550 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.166 NC(=O)c1ccc(cc1O)F WXVL_AK0084SD0561 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.166 NC(=O)c1ccc(cc1O)F WXVL_AK0084SD0561 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.166 NC(=O)c1ccc(cc1O)I WXVL_AK0084SD0717 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.166 NC(=O)c1ccc(cc1O)I WXVL_AK0084SD0717 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.166 NC(=O)c1ccc(cc1O)O WXVL_AK0084SD0149 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.166 NC(=O)c1ccc(cc1O)O WXVL_AK0084SD0149 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.167 Cc1ccc(c(c1)C(=O)N)O WXVL_AK0084SD0032 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.167 Cc1ccc(c(c1)C(=O)N)O WXVL_AK0084SD0032 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.167 NC(=O)c1cc(ccc1O)Br WXVL_AK0084SD0028 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.167 NC(=O)c1cc(ccc1O)Br WXVL_AK0084SD0028 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.167 NC(=O)c1cc(ccc1O)Cl WXVL_AK0084SD0029 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.167 NC(=O)c1cc(ccc1O)Cl WXVL_AK0084SD0029 [0,2,0,0,0,0|2,0,0]=4 108 B11R1.167 NC(=O)c1cc(ccc1O)F WXVL_AK0084SD0469 [0,2,0,0,0,0|2,0,0]=4 109 B11R1.167 NC(=O)c1cc(ccc1O)F WXVL_AK0084SD0469 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.167 NC(=O)c1cc(ccc1O)I WXVL_AK0084SD0030 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.167 NC(=O)c1cc(ccc1O)I WXVL_AK0084SD0030 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.167 NC(=O)c1cc(ccc1O)O WXVL_AK0084SD1721 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.167 NC(=O)c1cc(ccc1O)O WXVL_AK0084SD1721 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.156 Cc1cccc(c1C(=O)N)O WXVL_AK0084SD0804 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.156 Cc1cccc(c1C(=O)N)O WXVL_AK0084SD0804 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.156 NC(=O)c1c(cccc1Br)O WXVL_AK0084SD1602 [0,2,0,0,0,0|2,0,0]=4 117 B11R1.156 NC(=O)c1c(cccc1Br)O WXVL_AK0084SD1602 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.156 NC(=O)c1c(cccc1Cl)O WXVL_AK0084SD0796 [0,2,0,0,0,0|2,0,0]=4 119 B11R1.156 NC(=O)c1c(cccc1Cl)O WXVL_AK0084SD0796 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.156 NC(=O)c1c(cccc1F)O WXVL_AK0084SD0472 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.156 NC(=O)c1c(cccc1F)O WXVL_AK0084SD0472 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.156 NC(=O)c1c(cccc1O)O WXVL_AK0084SD0150 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.156 NC(=O)c1c(cccc1O)O WXVL_AK0084SD0150 [0,2,0,0,0,0|2,0,0]=4 124 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [0,0,1,1,0,0|2,0,0]=4 125 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [0,0,1,1,0,0|2,0,0]=4