0 B10R1.4 CCNc1ncncc1Br WXVL_AK00476LQ2111 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.4 CCNc1ncncc1Br WXVL_AK00476LQ2111 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.15 CNc1ncncc1Br WXVL_AK00442LQ2111 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.15 CNc1ncncc1Br WXVL_AK00442LQ2111 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.17 CCCNc1ncncc1Br WXVL_AK00504LQ2111 [0,1,0,0,0,0|3,0,0]=4 5 B11R1.17 CCCNc1ncncc1Br WXVL_AK00504LQ2111 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.17 FCCNc1ncncc1Br WXVL_AK00466LQ2111 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.17 FCCNc1ncncc1Br WXVL_AK00466LQ2111 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.86 CC(=O)Nc1ccccc1Br WXVL_AG00180SB0150 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.86 CC(=O)Nc1ccccc1Br WXVL_AG00180SB0150 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.86 Cc1ccccc1CC(=O)N WXVL_AK0084SB0098 [0,1,0,0,0,0|1,0,1]=3 11 B11R1.86 Cc1ccccc1CC(=O)N WXVL_AK0084SB0098 [0,1,0,0,0,0|1,0,1]=3 12 B11R1.86 NC(=O)Cc1ccccc1Br WXVL_AK0084SB0093 [0,1,0,0,0,0|0,0,1]=2 13 B11R1.86 NC(=O)Cc1ccccc1Br WXVL_AK0084SB0093 [0,1,0,0,0,0|0,0,1]=2 14 B11R1.86 NC(=O)Cc1ccccc1Cl WXVL_AK0084SB0095 [0,1,0,0,0,0|0,1,1]=3 15 B11R1.86 NC(=O)Cc1ccccc1Cl WXVL_AK0084SB0095 [0,1,0,0,0,0|0,1,1]=3 16 B11R1.86 NC(=O)Cc1ccccc1F WXVL_AK0084SB0094 [0,1,0,0,0,0|0,1,1]=3 17 B11R1.86 NC(=O)Cc1ccccc1F WXVL_AK0084SB0094 [0,1,0,0,0,0|0,1,1]=3 18 B11R1.86 NC(=O)Cc1ccccc1I WXVL_AK0084SB1145 [0,1,0,0,0,0|0,1,1]=3 19 B11R1.86 NC(=O)Cc1ccccc1I WXVL_AK0084SB1145 [0,1,0,0,0,0|0,1,1]=3 20 B11R1.86 NC(=O)Cc1ccccc1O WXVL_AK0084SB0400 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.86 NC(=O)Cc1ccccc1O WXVL_AK0084SB0400 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.86 NC(=O)Cc1cccnc1Cl WXVL_AK0084SA0056 [0,1,0,0,0,0|1,1,1]=4 23 B11R1.86 NC(=O)Cc1cccnc1Cl WXVL_AK0084SA0056 [0,1,0,0,0,0|1,1,1]=4 24 B11R1.222 CNC(=O)c1ccccc1Br WXVL_AK00442SD0002 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.222 CNC(=O)c1ccccc1Br WXVL_AK00442SD0002 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [1,1,0,0,0,0|0,0,1]=3 27 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [1,1,0,0,0,0|0,0,1]=3 28 B10R1.18 NC(=O)Cc1ccccn1 WXVL_AK0084SA0032 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.18 NC(=O)Cc1ccccn1 WXVL_AK0084SA0032 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.18 NC(=O)Cc1cccnc1 WXVL_AK0084SA0029 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.18 NC(=O)Cc1cccnc1 WXVL_AK0084SA0029 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.18 NC(=O)Cc1cccnc1 WXVL_AK0084SB00049 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.18 NC(=O)Cc1cccnc1 WXVL_AK0084SB00049 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.18 NC(=O)Cc1ccncc1 WXVL_AK0084SA00106 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.18 NC(=O)Cc1ccncc1 WXVL_AK0084SA00106 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.61 Cc1ccccc1C(=O)N WXVL_AK0084SD0037 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.61 Cc1ccccc1C(=O)N WXVL_AK0084SD0037 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.61 NC(=O)c1ccccc1Br WXVL_AK0084SD0002 [1,1,0,0,0,0|0,0,1]=3 39 B10R1.61 NC(=O)c1ccccc1Br WXVL_AK0084SD0002 [1,1,0,0,0,0|0,0,1]=3 40 B10R1.61 NC(=O)c1ccccc1Cl WXVL_AK0084SD0006 [1,1,0,0,0,0|0,1,1]=4 41 B10R1.61 NC(=O)c1ccccc1Cl WXVL_AK0084SD0006 [1,1,0,0,0,0|0,1,1]=4 42 B10R1.61 NC(=O)c1ccccc1F WXVL_AK0084SD0003 [1,1,0,0,0,0|0,1,1]=4 43 B10R1.61 NC(=O)c1ccccc1F WXVL_AK0084SD0003 [1,1,0,0,0,0|0,1,1]=4 44 B10R1.61 NC(=O)c1ccccc1I WXVL_AK0084SD0303 [1,1,0,0,0,0|0,1,1]=4 45 B10R1.61 NC(=O)c1ccccc1I WXVL_AK0084SD0303 [1,1,0,0,0,0|0,1,1]=4 46 B10R1.61 NC(=O)c1ccccc1O WXVL_AK0084SD00056 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.61 NC(=O)c1ccccc1O WXVL_AK0084SD00056 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.61 NC(=O)c1ccccc1S WXVL_AK0084SD0153 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.61 NC(=O)c1ccccc1S WXVL_AK0084SD0153 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.61 NC(=O)c1cccnc1Br WXVL_AK0084SC0367 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.61 NC(=O)c1cccnc1Br WXVL_AK0084SC0367 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.61 NC(=O)c1ccncc1Br WXVL_AK0084SC0365 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.61 NC(=O)c1ccncc1Br WXVL_AK0084SC0365 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.61 NC(=O)c1cnccc1Br WXVL_AK0084SC0500 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.61 NC(=O)c1cnccc1Br WXVL_AK0084SC0500 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.61 NC(=O)c1ncccc1Br WXVL_AK0084SC0501 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.61 NC(=O)c1ncccc1Br WXVL_AK0084SC0501 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.224 NC(=O)Cc1cccc(c1F)Br WXVL_AK0084SB2348 [0,2,0,0,0,0|0,1,1]=4 59 B12R1.224 NC(=O)Cc1cccc(c1F)Br WXVL_AK0084SB2348 [0,2,0,0,0,0|0,1,1]=4 60 B12R1.224 NC(=O)Cc1cccc(c1F)Cl WXVL_AK0084SB1338 [0,2,0,0,0,0|0,1,1]=4 61 B12R1.224 NC(=O)Cc1cccc(c1F)Cl WXVL_AK0084SB1338 [0,2,0,0,0,0|0,1,1]=4 62 B12R1.224 NC(=O)Cc1cccc(c1F)F WXVL_AK0084SB0446 [0,2,0,0,0,0|0,1,1]=4 63 B12R1.224 NC(=O)Cc1cccc(c1F)F WXVL_AK0084SB0446 [0,2,0,0,0,0|0,1,1]=4 64 B12R1.125 CC(=O)NCc1ccccc1Br WXVL_AK1632SB0150 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.125 CC(=O)NCc1ccccc1Br WXVL_AK1632SB0150 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.125 Cc1ccccc1CCC(=O)N WXVL_AK0084SB0422 [0,2,0,0,0,0|1,0,0]=3 67 B12R1.125 Cc1ccccc1CCC(=O)N WXVL_AK0084SB0422 [0,2,0,0,0,0|1,0,0]=3 68 B12R1.125 Cc1ccccc1OCC(=O)N WXVL_AK0084SB0136 [0,2,0,0,0,0|1,0,1]=4 69 B12R1.125 Cc1ccccc1OCC(=O)N WXVL_AK0084SB0136 [0,2,0,0,0,0|1,0,1]=4 70 B12R1.125 Cc1cccnc1CCC(=O)N WXVL_AK0084SA0096 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.125 Cc1cccnc1CCC(=O)N WXVL_AK0084SA0096 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.125 Cc1ncccc1CCC(=O)N WXVL_AK0084SA0046 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.125 Cc1ncccc1CCC(=O)N WXVL_AK0084SA0046 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.125 NC(=O)C=Cc1ccccc1Br WXVL_AK0084SB3065 [0,2,0,0,0,0|0,0,2]=4 75 B12R1.125 NC(=O)C=Cc1ccccc1Br WXVL_AK0084SB3065 [0,2,0,0,0,0|0,0,2]=4 76 B12R1.125 NC(=O)CCc1ccccc1Br WXVL_AK0084SB1278 [0,2,0,0,0,0|0,0,0]=2 77 B12R1.125 NC(=O)CCc1ccccc1Br WXVL_AK0084SB1278 [0,2,0,0,0,0|0,0,0]=2 78 B12R1.125 NC(=O)CCc1ccccc1Cl WXVL_AK0084SB0140 [0,2,0,0,0,0|0,1,0]=3 79 B12R1.125 NC(=O)CCc1ccccc1Cl WXVL_AK0084SB0140 [0,2,0,0,0,0|0,1,0]=3 80 B12R1.125 NC(=O)CCc1ccccc1F WXVL_AK0084SB0008 [0,2,0,0,0,0|0,1,0]=3 81 B12R1.125 NC(=O)CCc1ccccc1F WXVL_AK0084SB0008 [0,2,0,0,0,0|0,1,0]=3 82 B12R1.125 NC(=O)COc1ccccc1F WXVL_AK0084SB0441 [0,2,0,0,0,0|0,1,1]=4 83 B12R1.125 NC(=O)COc1ccccc1F WXVL_AK0084SB0441 [0,2,0,0,0,0|0,1,1]=4 84 B12R1.308 CCNC(=O)c1ccccc1Br WXVL_AK00476SD0002 [0,2,0,0,0,0|1,0,1]=4 85 B12R1.308 CCNC(=O)c1ccccc1Br WXVL_AK00476SD0002 [0,2,0,0,0,0|1,0,1]=4 86 B12R1.371 CCC(=O)Nc1ccccc1Br WXVL_AG00180SB0064 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.371 CCC(=O)Nc1ccccc1Br WXVL_AG00180SB0064 [0,2,0,0,0,0|1,0,1]=4 88 B12R1.371 CNC(=O)Cc1ccccc1Br WXVL_AK00442SB0093 [0,2,0,0,0,0|0,0,1]=3 89 B12R1.371 CNC(=O)Cc1ccccc1Br WXVL_AK00442SB0093 [0,2,0,0,0,0|0,0,1]=3 90 B12R1.371 CNC(=O)Cc1ccccc1C WXVL_AK00442SB0098 [0,2,0,0,0,0|1,0,1]=4 91 B12R1.371 CNC(=O)Cc1ccccc1C WXVL_AK00442SB0098 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.371 CNC(=O)Cc1ccccc1Cl WXVL_AK00442SB0095 [0,2,0,0,0,0|0,1,1]=4 93 B12R1.371 CNC(=O)Cc1ccccc1Cl WXVL_AK00442SB0095 [0,2,0,0,0,0|0,1,1]=4 94 B12R1.371 CNC(=O)Cc1ccccc1F WXVL_AK00442SB0094 [0,2,0,0,0,0|0,1,1]=4 95 B12R1.371 CNC(=O)Cc1ccccc1F WXVL_AK00442SB0094 [0,2,0,0,0,0|0,1,1]=4 96 B12R1.371 CNC(=O)Cc1ccccc1I WXVL_AK00442SB1145 [0,2,0,0,0,0|0,1,1]=4 97 B12R1.371 CNC(=O)Cc1ccccc1I WXVL_AK00442SB1145 [0,2,0,0,0,0|0,1,1]=4 98 B12R1.371 CNC(=O)Cc1ccccc1O WXVL_AK00442SB0400 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.371 CNC(=O)Cc1ccccc1O WXVL_AK00442SB0400 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.371 CNC(=O)Nc1ccccc1Br WXVL_AK00442YV0003 [0,2,0,0,0,0|1,0,1]=4 101 B12R1.371 CNC(=O)Nc1ccccc1Br WXVL_AK00442YV0003 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.371 O=C(CO)Nc1ccccc1Br WXVL_AG00180SB2706 [0,2,0,0,0,0|1,0,1]=4 103 B12R1.371 O=C(CO)Nc1ccccc1Br WXVL_AG00180SB2706 [0,2,0,0,0,0|1,0,1]=4 104 B12R1.75 COc1ccccc1CC(=O)N WXVL_AK0084SB0427 [0,2,0,0,0,0|1,0,1]=4 105 B12R1.75 COc1ccccc1CC(=O)N WXVL_AK0084SB0427 [0,2,0,0,0,0|1,0,1]=4 106 B12R1.75 N#Cc1ccccc1CC(=O)N WXVL_AK0084SB3111 [0,2,0,0,0,0|1,0,1]=4 107 B12R1.75 N#Cc1ccccc1CC(=O)N WXVL_AK0084SB3111 [0,2,0,0,0,0|1,0,1]=4 108 B12R1.233 Cc1cc(ccc1CC(=O)N)Br WXVL_AK0084SB5365 [0,2,0,0,0,0|1,0,1]=4 109 B12R1.233 Cc1cc(ccc1CC(=O)N)Br WXVL_AK0084SB5365 [0,2,0,0,0,0|1,0,1]=4 110 B12R1.233 NC(=O)Cc1ccc(cc1Br)Br WXVL_AK0084SB4290 [0,2,0,0,0,0|0,0,1]=3 111 B12R1.233 NC(=O)Cc1ccc(cc1Br)Br WXVL_AK0084SB4290 [0,2,0,0,0,0|0,0,1]=3 112 B12R1.233 NC(=O)Cc1ccc(cc1Br)F WXVL_AK0084SB1181 [0,2,0,0,0,0|0,0,1]=3 113 B12R1.233 NC(=O)Cc1ccc(cc1Br)F WXVL_AK0084SB1181 [0,2,0,0,0,0|0,0,1]=3 114 B12R1.233 NC(=O)Cc1ccc(cc1Cl)Br WXVL_AK0084SB2522 [0,2,0,0,0,0|0,1,1]=4 115 B12R1.233 NC(=O)Cc1ccc(cc1Cl)Br WXVL_AK0084SB2522 [0,2,0,0,0,0|0,1,1]=4 116 B12R1.233 NC(=O)Cc1ccc(cc1Cl)F WXVL_AK0084SB1409 [0,2,0,0,0,0|0,1,1]=4 117 B12R1.233 NC(=O)Cc1ccc(cc1Cl)F WXVL_AK0084SB1409 [0,2,0,0,0,0|0,1,1]=4 118 B12R1.233 NC(=O)Cc1ccc(cc1F)Br WXVL_AK0084SB0280 [0,2,0,0,0,0|0,1,1]=4 119 B12R1.233 NC(=O)Cc1ccc(cc1F)Br WXVL_AK0084SB0280 [0,2,0,0,0,0|0,1,1]=4 120 B12R1.233 NC(=O)Cc1ccc(cc1F)Cl WXVL_AK0084SB1401 [0,2,0,0,0,0|0,1,1]=4 121 B12R1.233 NC(=O)Cc1ccc(cc1F)Cl WXVL_AK0084SB1401 [0,2,0,0,0,0|0,1,1]=4 122 B12R1.233 NC(=O)Cc1ccc(cc1F)F WXVL_AK0084SB0445 [0,2,0,0,0,0|0,1,1]=4 123 B12R1.233 NC(=O)Cc1ccc(cc1F)F WXVL_AK0084SB0445 [0,2,0,0,0,0|0,1,1]=4 124 B12R1.233 NC(=O)Cc1ccc(cc1I)Br WXVL_AK0084SA00082 [0,2,0,0,0,0|0,1,1]=4 125 B12R1.233 NC(=O)Cc1ccc(cc1I)Br WXVL_AK0084SA00082 [0,2,0,0,0,0|0,1,1]=4 126 B12R1.124 NC(=O)[C@H](O)c1ccccc1Cl WXVL_AK0084SB3309 [0,2,0,0,0,0|0,1,1]=4 127 B12R1.124 NC(=O)[C@H](O)c1ccccc1Cl WXVL_AK0084SB3309 [0,2,0,0,0,0|0,1,1]=4 128 B12R1.127 Cc1ccc(c(c1)CC(=O)N)C WXVL_AK0084SB0420 [0,2,0,0,0,0|1,0,1]=4 129 B12R1.127 Cc1ccc(c(c1)CC(=O)N)C WXVL_AK0084SB0420 [0,2,0,0,0,0|1,0,1]=4 130 B12R1.127 Cc1ccc(cc1CC(=O)N)Br WXVL_AK0084SB2430 [0,2,0,0,0,0|1,0,1]=4 131 B12R1.127 Cc1ccc(cc1CC(=O)N)Br WXVL_AK0084SB2430 [0,2,0,0,0,0|1,0,1]=4 132 B12R1.127 NC(=O)Cc1cc(ccc1Br)Br WXVL_AK0084SB2266 [0,2,0,0,0,0|0,0,1]=3 133 B12R1.127 NC(=O)Cc1cc(ccc1Br)Br WXVL_AK0084SB2266 [0,2,0,0,0,0|0,0,1]=3 134 B12R1.127 NC(=O)Cc1cc(ccc1Br)Cl WXVL_AK0084SB0306 [0,2,0,0,0,0|0,0,1]=3 135 B12R1.127 NC(=O)Cc1cc(ccc1Br)Cl WXVL_AK0084SB0306 [0,2,0,0,0,0|0,0,1]=3 136 B12R1.127 NC(=O)Cc1cc(ccc1Br)F WXVL_AK0084SB1418 [0,2,0,0,0,0|0,0,1]=3 137 B12R1.127 NC(=O)Cc1cc(ccc1Br)F WXVL_AK0084SB1418 [0,2,0,0,0,0|0,0,1]=3 138 B12R1.127 NC(=O)Cc1cc(ccc1Cl)Br WXVL_AK0084SB0308 [0,2,0,0,0,0|0,1,1]=4 139 B12R1.127 NC(=O)Cc1cc(ccc1Cl)Br WXVL_AK0084SB0308 [0,2,0,0,0,0|0,1,1]=4 140 B12R1.127 NC(=O)Cc1cc(ccc1Cl)Cl WXVL_AK0084SB0783 [0,2,0,0,0,0|0,1,1]=4 141 B12R1.127 NC(=O)Cc1cc(ccc1Cl)Cl WXVL_AK0084SB0783 [0,2,0,0,0,0|0,1,1]=4 142 B12R1.127 NC(=O)Cc1cc(ccc1Cl)F WXVL_AK0084SB1408 [0,2,0,0,0,0|0,1,1]=4 143 B12R1.127 NC(=O)Cc1cc(ccc1Cl)F WXVL_AK0084SB1408 [0,2,0,0,0,0|0,1,1]=4 144 B12R1.127 NC(=O)Cc1cc(ccc1F)F WXVL_AK0084SB2104 [0,2,0,0,0,0|0,1,1]=4 145 B12R1.127 NC(=O)Cc1cc(ccc1F)F WXVL_AK0084SB2104 [0,2,0,0,0,0|0,1,1]=4 146 B12R1.127 NC(=O)Cc1cc(ccc1O)Br WXVL_AK0084SB4784 [0,2,0,0,0,0|1,0,1]=4 147 B12R1.127 NC(=O)Cc1cc(ccc1O)Br WXVL_AK0084SB4784 [0,2,0,0,0,0|1,0,1]=4 148 B12R1.1009 NC(=O)Cc1c(cccc1Cl)Cl WXVL_AK0084SB1287 [0,2,0,0,0,0|0,1,1]=4 149 B12R1.1009 NC(=O)Cc1c(cccc1Cl)Cl WXVL_AK0084SB1287 [0,2,0,0,0,0|0,1,1]=4 150 B12R1.1009 NC(=O)Cc1c(cccc1Cl)F WXVL_AK0084SB0498 [0,2,0,0,0,0|0,1,1]=4 151 B12R1.1009 NC(=O)Cc1c(cccc1Cl)F WXVL_AK0084SB0498 [0,2,0,0,0,0|0,1,1]=4 152 B12R1.1009 NC(=O)Cc1c(cccc1F)F WXVL_AK0084SD0088 [0,2,0,0,0,0|0,1,1]=4 153 B12R1.1009 NC(=O)Cc1c(cccc1F)F WXVL_AK0084SD0088 [0,2,0,0,0,0|0,1,1]=4