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 B10R1.4 CCNc1ncncc1Br WXVL_AK00476LQ2111 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.4 CCNc1ncncc1Br WXVL_AK00476LQ2111 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.4 CCNc1ncncc1C WXVL_AK00476LP0053 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.4 CCNc1ncncc1C WXVL_AK00476LP0053 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.4 CCNc1ncncc1F WXVL_AK00476LP0435 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.4 CCNc1ncncc1F WXVL_AK00476LP0435 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.4 CCNc1ncncc1I WXVL_AK00476LP3348 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.4 CCNc1ncncc1I WXVL_AK00476LP3348 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.61 Cc1ccccc1C(=O)N WXVL_AK0084SD0037 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.61 Cc1ccccc1C(=O)N WXVL_AK0084SD0037 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.61 NC(=O)c1ccccc1Br WXVL_AK0084SD0002 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.61 NC(=O)c1ccccc1Br WXVL_AK0084SD0002 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.61 NC(=O)c1ccccc1Cl WXVL_AK0084SD0006 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.61 NC(=O)c1ccccc1Cl WXVL_AK0084SD0006 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.61 NC(=O)c1ccccc1F WXVL_AK0084SD0003 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.61 NC(=O)c1ccccc1F WXVL_AK0084SD0003 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.61 NC(=O)c1ccccc1I WXVL_AK0084SD0303 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.61 NC(=O)c1ccccc1I WXVL_AK0084SD0303 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.61 NC(=O)c1ccccc1O WXVL_AK0084SD00056 [0,1,0,0,0,0|1,1,1]=4 31 B10R1.61 NC(=O)c1ccccc1O WXVL_AK0084SD00056 [0,1,0,0,0,0|1,1,1]=4 32 B10R1.61 NC(=O)c1ccccc1S WXVL_AK0084SD0153 [0,1,0,0,0,0|1,0,1]=3 33 B10R1.61 NC(=O)c1ccccc1S WXVL_AK0084SD0153 [0,1,0,0,0,0|1,0,1]=3 34 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,1,1,0,0,0|1,1,0]=4 35 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,1,1,0,0,0|1,1,0]=4 36 B9R1.6 NC(=O)c1ccccc1 WXVL_AK0084SD0001 [1,1,0,0,0,0|1,0,1]=4 37 B9R1.6 NC(=O)c1ccccc1 WXVL_AK0084SD0001 [1,1,0,0,0,0|1,0,1]=4 38 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.86 CC(=O)Nc1ccccc1Br WXVL_AG00180SB0150 [0,2,0,0,0,0|1,0,1]=4 43 B11R1.86 CC(=O)Nc1ccccc1Br WXVL_AG00180SB0150 [0,2,0,0,0,0|1,0,1]=4 44 B11R1.86 CC(=O)Nc1ccccc1C WXVL_AG0027SB0150 [0,2,0,0,0,0|1,0,1]=4 45 B11R1.86 CC(=O)Nc1ccccc1C WXVL_AG0027SB0150 [0,2,0,0,0,0|1,0,1]=4 46 B11R1.86 CC(=O)Nc1ccccc1Cl WXVL_AG00129SB0150 [0,2,0,0,0,0|1,0,1]=4 47 B11R1.86 CC(=O)Nc1ccccc1Cl WXVL_AG00129SB0150 [0,2,0,0,0,0|1,0,1]=4 48 B11R1.86 CC(=O)Nc1ccccc1I WXVL_AG0385SB0150 [0,2,0,0,0,0|1,0,1]=4 49 B11R1.86 CC(=O)Nc1ccccc1I WXVL_AG0385SB0150 [0,2,0,0,0,0|1,0,1]=4 50 B11R1.86 Cc1ccccc1CC(=O)N WXVL_AK0084SB0098 [0,2,0,0,0,0|1,0,1]=4 51 B11R1.86 Cc1ccccc1CC(=O)N WXVL_AK0084SB0098 [0,2,0,0,0,0|1,0,1]=4 52 B11R1.86 NC(=O)Cc1ccccc1Br WXVL_AK0084SB0093 [0,2,0,0,0,0|1,0,1]=4 53 B11R1.86 NC(=O)Cc1ccccc1Br WXVL_AK0084SB0093 [0,2,0,0,0,0|1,0,1]=4 54 B11R1.86 NC(=O)Cc1ccccc1Cl WXVL_AK0084SB0095 [0,2,0,0,0,0|1,0,1]=4 55 B11R1.86 NC(=O)Cc1ccccc1Cl WXVL_AK0084SB0095 [0,2,0,0,0,0|1,0,1]=4 56 B11R1.86 NC(=O)Cc1ccccc1F WXVL_AK0084SB0094 [0,2,0,0,0,0|1,0,1]=4 57 B11R1.86 NC(=O)Cc1ccccc1F WXVL_AK0084SB0094 [0,2,0,0,0,0|1,0,1]=4 58 B11R1.86 NC(=O)Cc1ccccc1I WXVL_AK0084SB1145 [0,2,0,0,0,0|1,0,1]=4 59 B11R1.86 NC(=O)Cc1ccccc1I WXVL_AK0084SB1145 [0,2,0,0,0,0|1,0,1]=4 60 B11R1.86 NC(=O)Cc1ccccc1O WXVL_AK0084SB0400 [0,2,0,0,0,0|0,1,1]=4 61 B11R1.86 NC(=O)Cc1ccccc1O WXVL_AK0084SB0400 [0,2,0,0,0,0|0,1,1]=4 62 B11R1.222 CNC(=O)c1ccccc1Br WXVL_AK00442SD0002 [0,2,0,0,0,0|1,0,1]=4 63 B11R1.222 CNC(=O)c1ccccc1Br WXVL_AK00442SD0002 [0,2,0,0,0,0|1,0,1]=4 64 B11R1.222 CNC(=O)c1ccccc1C WXVL_AK00442SD0037 [0,2,0,0,0,0|1,0,1]=4 65 B11R1.222 CNC(=O)c1ccccc1C WXVL_AK00442SD0037 [0,2,0,0,0,0|1,0,1]=4 66 B11R1.222 CNC(=O)c1ccccc1Cl WXVL_AK00442SD0006 [0,2,0,0,0,0|1,0,1]=4 67 B11R1.222 CNC(=O)c1ccccc1Cl WXVL_AK00442SD0006 [0,2,0,0,0,0|1,0,1]=4 68 B11R1.222 CNC(=O)c1ccccc1F WXVL_AK00442SD0003 [0,2,0,0,0,0|1,0,1]=4 69 B11R1.222 CNC(=O)c1ccccc1F WXVL_AK00442SD0003 [0,2,0,0,0,0|1,0,1]=4 70 B11R1.222 CNC(=O)c1ccccc1I WXVL_AK00442SD0303 [0,2,0,0,0,0|1,0,1]=4 71 B11R1.222 CNC(=O)c1ccccc1I WXVL_AK00442SD0303 [0,2,0,0,0,0|1,0,1]=4 72 B11R1.222 CNC(=O)c1ccccc1O WXVL_AK00442SD00056 [0,2,0,0,0,0|0,1,1]=4 73 B11R1.222 CNC(=O)c1ccccc1O WXVL_AK00442SD00056 [0,2,0,0,0,0|0,1,1]=4 74 B11R1.222 CNC(=O)c1ccccc1S WXVL_AK00442SD0153 [0,2,0,0,0,0|0,0,1]=3 75 B11R1.222 CNC(=O)c1ccccc1S WXVL_AK00442SD0153 [0,2,0,0,0,0|0,0,1]=3 76 B11R1.53 CCc1ccccc1C(=O)N WXVL_AK0084SD0112 [0,2,0,0,0,0|0,1,0]=3 77 B11R1.53 CCc1ccccc1C(=O)N WXVL_AK0084SD0112 [0,2,0,0,0,0|0,1,0]=3 78 B11R1.53 CCc1ncccc1C(=O)N WXVL_AK0084SC1247 [0,2,0,0,0,0|1,1,0]=4 79 B11R1.53 CCc1ncccc1C(=O)N WXVL_AK0084SC1247 [0,2,0,0,0,0|1,1,0]=4 80 B11R1.53 COc1ccccc1C(=O)N WXVL_AK0084SD0016 [0,2,0,0,0,0|1,1,0]=4 81 B11R1.53 COc1ccccc1C(=O)N WXVL_AK0084SD0016 [0,2,0,0,0,0|1,1,0]=4 82 B11R1.53 CSc1ccccc1C(=O)N WXVL_AK0084SD0102 [0,2,0,0,0,0|1,0,1]=4 83 B11R1.53 CSc1ccccc1C(=O)N WXVL_AK0084SD0102 [0,2,0,0,0,0|1,0,1]=4 84 B11R1.53 NC(=O)c1ccccc1CO WXVL_AK0084SD1772 [0,2,0,0,0,0|1,1,0]=4 85 B11R1.53 NC(=O)c1ccccc1CO WXVL_AK0084SD1772 [0,2,0,0,0,0|1,1,0]=4 86 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [0,0,1,1,0,0|2,0,0]=4 87 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [0,0,1,1,0,0|2,0,0]=4