0 B10R1.17 CCCNc1ccncn1 WXVL_AK00504LP3358 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.17 CCCNc1ccncn1 WXVL_AK00504LP3358 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.17 CCCNc1ncccn1 WXVL_AK00504LP0002 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.17 CCCNc1ncccn1 WXVL_AK00504LP0002 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,1,0,0,0,0|1,0,1]=3 9 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,1,0,0,0,0|1,0,1]=3 10 B11R1.16 CCNC(=O)c1ccccn1 WXVL_AK00476SC0058 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.16 CCNC(=O)c1ccccn1 WXVL_AK00476SC0058 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.16 CCNC(=O)c1cccnc1 WXVL_AK00476SC0061 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.16 CCNC(=O)c1cccnc1 WXVL_AK00476SC0061 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.16 CCNC(=O)c1ccncc1 WXVL_AK00476SC0062 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.16 CCNC(=O)c1ccncc1 WXVL_AK00476SC0062 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.28 CCCCNc1ccncn1 WXVL_AK00588LP3358 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.28 CCCCNc1ccncn1 WXVL_AK00588LP3358 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.28 CCCCNc1ncccn1 WXVL_AK00588LP0002 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.28 CCCCNc1ncccn1 WXVL_AK00588LP0002 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.40 CCC(=O)Nc1ccccn1 WXVL_AF00298SB0064 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.40 CCC(=O)Nc1ccccn1 WXVL_AF00298SB0064 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.40 CNC(=O)Cc1ccccc1 WXVL_AK00442SB0092 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.40 CNC(=O)Cc1ccccc1 WXVL_AK00442SB0092 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.40 CNC(=O)Cc1ccccn1 WXVL_AK00442SA0032 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.40 CNC(=O)Cc1ccccn1 WXVL_AK00442SA0032 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SA0029 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SA0029 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SB00049 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SB00049 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.40 CNC(=O)Cc1ccncc1 WXVL_AK00442SA00106 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.40 CNC(=O)Cc1ccncc1 WXVL_AK00442SA00106 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.40 O=C(CO)Nc1ccccc1 WXVL_AG00183SB2706 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.40 O=C(CO)Nc1ccccc1 WXVL_AG00183SB2706 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [0,1,0,0,0,0|1,0,1]=3 37 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [0,1,0,0,0,0|1,0,1]=3 38 B11R1.91 CC(=O)NCc1ccccn1 WXVL_AK0018SB0150 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.91 CC(=O)NCc1ccccn1 WXVL_AK0018SB0150 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.91 CC(=O)NCc1cccnc1 WXVL_AK0020SB0150 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.91 CC(=O)NCc1cccnc1 WXVL_AK0020SB0150 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.91 CC(=O)NCc1ccncc1 WXVL_AK0021SB0150 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.91 CC(=O)NCc1ccncc1 WXVL_AK0021SB0150 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.91 NC(=O)CCc1ccccc1 WXVL_AK0084SB0067 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.91 NC(=O)CCc1ccccc1 WXVL_AK0084SB0067 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [0,0,1,0,0,0|2,0,1]=4 47 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [0,0,1,0,0,0|2,0,1]=4 48 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.16 CCNC(=O)c1ccc(cc1)Br WXVL_AK00476SD0060 [0,2,0,0,0,0|1,0,1]=4 55 B12R1.16 CCNC(=O)c1ccc(cc1)Br WXVL_AK00476SD0060 [0,2,0,0,0,0|1,0,1]=4 56 B12R1.16 CCNC(=O)c1ccc(cc1)C WXVL_AK00476SD0078 [0,2,0,0,0,0|1,0,1]=4 57 B12R1.16 CCNC(=O)c1ccc(cc1)C WXVL_AK00476SD0078 [0,2,0,0,0,0|1,0,1]=4 58 B12R1.16 CCNC(=O)c1ccc(cc1)Cl WXVL_AK00476SD0062 [0,2,0,0,0,0|1,0,1]=4 59 B12R1.16 CCNC(=O)c1ccc(cc1)Cl WXVL_AK00476SD0062 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.16 CCNC(=O)c1ccc(cc1)F WXVL_AK00476SD0061 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.16 CCNC(=O)c1ccc(cc1)F WXVL_AK00476SD0061 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.16 CCNC(=O)c1ccc(cc1)I WXVL_AK00476SD0421 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.16 CCNC(=O)c1ccc(cc1)I WXVL_AK00476SD0421 [0,2,0,0,0,0|1,0,1]=4 64 B12R1.16 CCNC(=O)c1ccc(cc1)O WXVL_AK00476SD0069 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.16 CCNC(=O)c1ccc(cc1)O WXVL_AK00476SD0069 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.16 CCNC(=O)c1ccc(cc1)S WXVL_AK00476SD0154 [0,2,0,0,0,0|1,0,1]=4 67 B12R1.16 CCNC(=O)c1ccc(cc1)S WXVL_AK00476SD0154 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.21 CC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0150 [0,2,0,0,0,0|1,0,1]=4 69 B12R1.21 CC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0150 [0,2,0,0,0,0|1,0,1]=4 70 B12R1.21 CC(=O)NCc1ccc(cc1)C WXVL_AK0048SB0150 [0,2,0,0,0,0|1,0,1]=4 71 B12R1.21 CC(=O)NCc1ccc(cc1)C WXVL_AK0048SB0150 [0,2,0,0,0,0|1,0,1]=4 72 B12R1.21 CC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0150 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.21 CC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0150 [0,2,0,0,0,0|1,0,1]=4 74 B12R1.21 CC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0150 [0,2,0,0,0,0|1,0,1]=4 75 B12R1.21 CC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0150 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.21 CC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0150 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.21 CC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0150 [0,2,0,0,0,0|1,0,1]=4 78 B12R1.21 CC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0150 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.21 CC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0150 [0,2,0,0,0,0|1,0,1]=4 80 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB0064 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB0064 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.49 CCC(=O)Nc1ccc(cc1)I WXVL_AG1742SB0064 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.49 CCC(=O)Nc1ccc(cc1)I WXVL_AG1742SB0064 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.49 CNC(=O)Cc1ccc(cc1)Br WXVL_AK00442SB0926 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.49 CNC(=O)Cc1ccc(cc1)Br WXVL_AK00442SB0926 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.49 CNC(=O)Cc1ccc(cc1)C WXVL_AK00442SB0112 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.49 CNC(=O)Cc1ccc(cc1)C WXVL_AK00442SB0112 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl WXVL_AK00442SB0107 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl WXVL_AK00442SB0107 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.49 CNC(=O)Cc1ccc(cc1)F WXVL_AK00442SB0106 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.49 CNC(=O)Cc1ccc(cc1)F WXVL_AK00442SB0106 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.49 CNC(=O)Cc1ccc(cc1)O WXVL_AK00442SB0110 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.49 CNC(=O)Cc1ccc(cc1)O WXVL_AK00442SB0110 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.17 CCNC(=O)c1cccc(c1)Br WXVL_AK00476SD0041 [0,2,0,0,0,0|1,0,1]=4 95 B12R1.17 CCNC(=O)c1cccc(c1)Br WXVL_AK00476SD0041 [0,2,0,0,0,0|1,0,1]=4 96 B12R1.17 CCNC(=O)c1cccc(c1)C WXVL_AK00476SD0056 [0,2,0,0,0,0|1,0,1]=4 97 B12R1.17 CCNC(=O)c1cccc(c1)C WXVL_AK00476SD0056 [0,2,0,0,0,0|1,0,1]=4 98 B12R1.17 CCNC(=O)c1cccc(c1)Cl WXVL_AK00476SD0045 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.17 CCNC(=O)c1cccc(c1)Cl WXVL_AK00476SD0045 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.17 CCNC(=O)c1cccc(c1)F WXVL_AK00476SD0043 [0,2,0,0,0,0|1,0,1]=4 101 B12R1.17 CCNC(=O)c1cccc(c1)F WXVL_AK00476SD0043 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.17 CCNC(=O)c1cccc(c1)I WXVL_AK00476SD0405 [0,2,0,0,0,0|1,0,1]=4 103 B12R1.17 CCNC(=O)c1cccc(c1)I WXVL_AK00476SD0405 [0,2,0,0,0,0|1,0,1]=4 104 B12R1.17 CCNC(=O)c1cccc(c1)O WXVL_AK00476SD1724 [0,2,0,0,0,0|1,0,1]=4 105 B12R1.17 CCNC(=O)c1cccc(c1)O WXVL_AK00476SD1724 [0,2,0,0,0,0|1,0,1]=4 106 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [0,2,0,0,0,0|1,0,1]=4 107 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [0,2,0,0,0,0|1,0,1]=4 108 B12R1.30 O=C(NCCF)c1ccccc1 WXVL_AK00466SD0001 [0,2,0,0,0,0|1,0,1]=4 109 B12R1.30 O=C(NCCF)c1ccccc1 WXVL_AK00466SD0001 [0,2,0,0,0,0|1,0,1]=4 110 B12R1.34 CNC(=O)C(C)c1ccccc1 WXVL_AK00442SB2326 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.34 CNC(=O)C(C)c1ccccc1 WXVL_AK00442SB2326 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.34 CNC(=O)C(O)c1ccccc1 WXVL_AK00442SB0168 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.34 CNC(=O)C(O)c1ccccc1 WXVL_AK00442SB0168 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.107 CC(C)NC(=O)c1ccccc1 WXVL_AK0030SD0001 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.107 CC(C)NC(=O)c1ccccc1 WXVL_AK0030SD0001 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.308 CCNC(=O)c1ccccc1Br WXVL_AK00476SD0002 [0,2,0,0,0,0|1,0,1]=4 117 B12R1.308 CCNC(=O)c1ccccc1Br WXVL_AK00476SD0002 [0,2,0,0,0,0|1,0,1]=4 118 B12R1.308 CCNC(=O)c1ccccc1C WXVL_AK00476SD0037 [0,2,0,0,0,0|1,0,1]=4 119 B12R1.308 CCNC(=O)c1ccccc1C WXVL_AK00476SD0037 [0,2,0,0,0,0|1,0,1]=4 120 B12R1.308 CCNC(=O)c1ccccc1Cl WXVL_AK00476SD0006 [0,2,0,0,0,0|1,0,1]=4 121 B12R1.308 CCNC(=O)c1ccccc1Cl WXVL_AK00476SD0006 [0,2,0,0,0,0|1,0,1]=4 122 B12R1.308 CCNC(=O)c1ccccc1F WXVL_AK00476SD0003 [0,2,0,0,0,0|1,0,1]=4 123 B12R1.308 CCNC(=O)c1ccccc1F WXVL_AK00476SD0003 [0,2,0,0,0,0|1,0,1]=4 124 B12R1.308 CCNC(=O)c1ccccc1I WXVL_AK00476SD0303 [0,2,0,0,0,0|1,0,1]=4 125 B12R1.308 CCNC(=O)c1ccccc1I WXVL_AK00476SD0303 [0,2,0,0,0,0|1,0,1]=4 126 B12R1.308 CCNC(=O)c1ccccc1O WXVL_AK00476SD00056 [0,2,0,0,0,0|1,0,1]=4 127 B12R1.308 CCNC(=O)c1ccccc1O WXVL_AK00476SD00056 [0,2,0,0,0,0|1,0,1]=4 128 B12R1.308 CCNC(=O)c1ccccc1S WXVL_AK00476SD0153 [0,2,0,0,0,0|1,0,1]=4 129 B12R1.308 CCNC(=O)c1ccccc1S WXVL_AK00476SD0153 [0,2,0,0,0,0|1,0,1]=4 130 B12R1.125 CC(=O)NCc1ccccc1Br WXVL_AK1632SB0150 [0,2,0,0,0,0|1,0,1]=4 131 B12R1.125 CC(=O)NCc1ccccc1Br WXVL_AK1632SB0150 [0,2,0,0,0,0|1,0,1]=4 132 B12R1.125 CC(=O)NCc1ccccc1C WXVL_AK0040SB0150 [0,2,0,0,0,0|1,0,1]=4 133 B12R1.125 CC(=O)NCc1ccccc1C WXVL_AK0040SB0150 [0,2,0,0,0,0|1,0,1]=4 134 B12R1.125 CC(=O)NCc1ccccc1Cl WXVL_AK0038SB0150 [0,2,0,0,0,0|1,0,1]=4 135 B12R1.125 CC(=O)NCc1ccccc1Cl WXVL_AK0038SB0150 [0,2,0,0,0,0|1,0,1]=4 136 B12R1.125 CC(=O)NCc1ccccc1F WXVL_AK0037SB0150 [0,2,0,0,0,0|1,0,1]=4 137 B12R1.125 CC(=O)NCc1ccccc1F WXVL_AK0037SB0150 [0,2,0,0,0,0|1,0,1]=4 138 B12R1.125 CC(=O)NCc1ccccc1I WXVL_AK3923SB0150 [0,2,0,0,0,0|1,0,1]=4 139 B12R1.125 CC(=O)NCc1ccccc1I WXVL_AK3923SB0150 [0,2,0,0,0,0|1,0,1]=4 140 B12R1.125 CC(=O)NCc1ccccc1O WXVL_AK0963SB0150 [0,2,0,0,0,0|1,0,1]=4 141 B12R1.125 CC(=O)NCc1ccccc1O WXVL_AK0963SB0150 [0,2,0,0,0,0|1,0,1]=4 142 B12R1.371 CCC(=O)Nc1ccccc1Br WXVL_AG00180SB0064 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.371 CCC(=O)Nc1ccccc1Br WXVL_AG00180SB0064 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.371 CCC(=O)Nc1ccccc1C WXVL_AG0027SB0064 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.371 CCC(=O)Nc1ccccc1C WXVL_AG0027SB0064 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.371 CCC(=O)Nc1ccccc1Cl WXVL_AG00129SB0064 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.371 CCC(=O)Nc1ccccc1Cl WXVL_AG00129SB0064 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.371 CCC(=O)Nc1ccccc1I WXVL_AG0385SB0064 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.371 CCC(=O)Nc1ccccc1I WXVL_AG0385SB0064 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.371 CNC(=O)Cc1ccccc1Br WXVL_AK00442SB0093 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.371 CNC(=O)Cc1ccccc1Br WXVL_AK00442SB0093 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.371 CNC(=O)Cc1ccccc1C WXVL_AK00442SB0098 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.371 CNC(=O)Cc1ccccc1C WXVL_AK00442SB0098 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.371 CNC(=O)Cc1ccccc1Cl WXVL_AK00442SB0095 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.371 CNC(=O)Cc1ccccc1Cl WXVL_AK00442SB0095 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.371 CNC(=O)Cc1ccccc1F WXVL_AK00442SB0094 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.371 CNC(=O)Cc1ccccc1F WXVL_AK00442SB0094 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.371 CNC(=O)Cc1ccccc1I WXVL_AK00442SB1145 [0,2,0,0,0,0|2,0,0]=4 159 B12R1.371 CNC(=O)Cc1ccccc1I WXVL_AK00442SB1145 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.371 CNC(=O)Cc1ccccc1O WXVL_AK00442SB0400 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.371 CNC(=O)Cc1ccccc1O WXVL_AK00442SB0400 [0,2,0,0,0,0|2,0,0]=4 162 B12R1.50 CCC(=O)Nc1cccc(c1)C WXVL_AG0052SB0064 [0,2,0,0,0,0|2,0,0]=4 163 B12R1.50 CCC(=O)Nc1cccc(c1)C WXVL_AG0052SB0064 [0,2,0,0,0,0|2,0,0]=4 164 B12R1.50 CCC(=O)Nc1cccc(c1)I WXVL_AG0649SB0064 [0,2,0,0,0,0|2,0,0]=4 165 B12R1.50 CCC(=O)Nc1cccc(c1)I WXVL_AG0649SB0064 [0,2,0,0,0,0|2,0,0]=4 166 B12R1.50 CCC(=O)Nc1cccc(c1)O WXVL_AG00200SB0064 [0,2,0,0,0,0|2,0,0]=4 167 B12R1.50 CCC(=O)Nc1cccc(c1)O WXVL_AG00200SB0064 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.50 CNC(=O)Cc1cccc(c1)Br WXVL_AK00442SB0099 [0,2,0,0,0,0|2,0,0]=4 169 B12R1.50 CNC(=O)Cc1cccc(c1)Br WXVL_AK00442SB0099 [0,2,0,0,0,0|2,0,0]=4 170 B12R1.50 CNC(=O)Cc1cccc(c1)C WXVL_AK00442SB0105 [0,2,0,0,0,0|2,0,0]=4 171 B12R1.50 CNC(=O)Cc1cccc(c1)C WXVL_AK00442SB0105 [0,2,0,0,0,0|2,0,0]=4 172 B12R1.50 CNC(=O)Cc1cccc(c1)Cl WXVL_AK00442SB0101 [0,2,0,0,0,0|2,0,0]=4 173 B12R1.50 CNC(=O)Cc1cccc(c1)Cl WXVL_AK00442SB0101 [0,2,0,0,0,0|2,0,0]=4 174 B12R1.50 CNC(=O)Cc1cccc(c1)F WXVL_AK00442SB0100 [0,2,0,0,0,0|2,0,0]=4 175 B12R1.50 CNC(=O)Cc1cccc(c1)F WXVL_AK00442SB0100 [0,2,0,0,0,0|2,0,0]=4 176 B12R1.50 CNC(=O)Cc1cccc(c1)O WXVL_AK00442SB0104 [0,2,0,0,0,0|2,0,0]=4 177 B12R1.50 CNC(=O)Cc1cccc(c1)O WXVL_AK00442SB0104 [0,2,0,0,0,0|2,0,0]=4 178 B12R1.226 CC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0150 [0,2,0,0,0,0|1,0,1]=4 179 B12R1.226 CC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0150 [0,2,0,0,0,0|1,0,1]=4 180 B12R1.226 CC(=O)NCc1cccc(c1)C WXVL_AK0045SB0150 [0,2,0,0,0,0|1,0,1]=4 181 B12R1.226 CC(=O)NCc1cccc(c1)C WXVL_AK0045SB0150 [0,2,0,0,0,0|1,0,1]=4 182 B12R1.226 CC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0150 [0,2,0,0,0,0|1,0,1]=4 183 B12R1.226 CC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0150 [0,2,0,0,0,0|1,0,1]=4 184 B12R1.226 CC(=O)NCc1cccc(c1)F WXVL_AK0041SB0150 [0,2,0,0,0,0|1,0,1]=4 185 B12R1.226 CC(=O)NCc1cccc(c1)F WXVL_AK0041SB0150 [0,2,0,0,0,0|1,0,1]=4 186 B12R1.226 CC(=O)NCc1cccc(c1)I WXVL_AK1572SB0150 [0,2,0,0,0,0|1,0,1]=4 187 B12R1.226 CC(=O)NCc1cccc(c1)I WXVL_AK1572SB0150 [0,2,0,0,0,0|1,0,1]=4 188 B12R1.226 CC(=O)NCc1cccc(c1)O WXVL_AK0974SB0150 [0,2,0,0,0,0|1,0,1]=4 189 B12R1.226 CC(=O)NCc1cccc(c1)O WXVL_AK0974SB0150 [0,2,0,0,0,0|1,0,1]=4 190 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [0,2,0,0,0,0|1,0,0]=3 191 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [0,2,0,0,0,0|1,0,0]=3 192 B12R1.27 CCC(=O)NCc1ccccn1 WXVL_AK0018SB0064 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.27 CCC(=O)NCc1ccccn1 WXVL_AK0018SB0064 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.27 CCC(=O)NCc1cccnc1 WXVL_AK0020SB0064 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.27 CCC(=O)NCc1cccnc1 WXVL_AK0020SB0064 [0,2,0,0,0,0|2,0,0]=4 196 B12R1.27 CCC(=O)NCc1ccncc1 WXVL_AK0021SB0064 [0,2,0,0,0,0|2,0,0]=4 197 B12R1.27 CCC(=O)NCc1ccncc1 WXVL_AK0021SB0064 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [0,2,0,0,0,0|1,0,1]=4 199 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [0,2,0,0,0,0|1,0,1]=4 200 B12R1.27 CNC(=O)COc1ccccc1 WXVL_AK00442SB0086 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.27 CNC(=O)COc1ccccc1 WXVL_AK00442SB0086 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.27 CNC(=O)CSc1ccccc1 WXVL_AK00442SB0113 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.27 CNC(=O)CSc1ccccc1 WXVL_AK00442SB0113 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.27 O=C(CO)NCc1ccccc1 WXVL_AK00502SB2706 [0,2,0,0,0,0|1,0,1]=4 205 B12R1.27 O=C(CO)NCc1ccccc1 WXVL_AK00502SB2706 [0,2,0,0,0,0|1,0,1]=4 206 B12R1.32 CCCC(=O)Nc1ccccc1 WXVL_AG00183SB0073 [0,2,0,0,0,0|1,0,1]=4 207 B12R1.32 CCCC(=O)Nc1ccccc1 WXVL_AG00183SB0073 [0,2,0,0,0,0|1,0,1]=4 208 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [0,2,0,0,0,0|1,0,0]=3 209 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.32 CCNC(=O)Cc1ccccn1 WXVL_AK00476SA0032 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.32 CCNC(=O)Cc1ccccn1 WXVL_AK00476SA0032 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SA0029 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SA0029 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SB00049 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SB00049 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.32 CCNC(=O)Cc1ccncc1 WXVL_AK00476SA00106 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.32 CCNC(=O)Cc1ccncc1 WXVL_AK00476SA00106 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [0,2,0,0,0,0|2,0,0]=4 220 B12R1.32 CSCC(=O)Nc1ccccc1 WXVL_AG00183SB1267 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.32 CSCC(=O)Nc1ccccc1 WXVL_AG00183SB1267 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.252 CC(=O)NCCc1ccccc1 WXVL_AK00498SB0150 [0,2,0,0,0,0|1,0,1]=4 223 B12R1.252 CC(=O)NCCc1ccccc1 WXVL_AK00498SB0150 [0,2,0,0,0,0|1,0,1]=4 224 B12R1.252 NC(=O)CCCc1ccccc1 WXVL_AK0084SB0121 [0,2,0,0,0,0|1,0,1]=4 225 B12R1.252 NC(=O)CCCc1ccccc1 WXVL_AK0084SB0121 [0,2,0,0,0,0|1,0,1]=4 226 B12R1.252 NC(=O)COCc1ccccc1 WXVL_AK0084SB0185 [0,2,0,0,0,0|0,0,1]=3 227 B12R1.252 NC(=O)COCc1ccccc1 WXVL_AK0084SB0185 [0,2,0,0,0,0|0,0,1]=3 228 B12R1.43 CC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0150 [0,2,0,0,0,0|1,0,1]=4 229 B12R1.43 CC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0150 [0,2,0,0,0,0|1,0,1]=4 230 B12R1.43 CC(C)C(=O)Nc1ccccc1 WXVL_AG00183SB0052 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.43 CC(C)C(=O)Nc1ccccc1 WXVL_AG00183SB0052 [0,2,0,0,0,0|2,0,0]=4 232 B12R1.43 CC(S)C(=O)Nc1ccccc1 WXVL_AG00183SB2708 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.43 CC(S)C(=O)Nc1ccccc1 WXVL_AG00183SB2708 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.43 CN(C)C(=O)Cc1ccccc1 WXVL_AN0032SB0092 [0,2,0,0,0,0|2,0,0]=4 235 B12R1.43 CN(C)C(=O)Cc1ccccc1 WXVL_AN0032SB0092 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 WXVL_AG00183SB1085 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 WXVL_AG00183SB1085 [0,2,0,0,0,0|2,0,0]=4 238 B12R1.194 CCS(=O)(=O)Nc1ccccc1 WXVL_AG00183HU0028 [0,2,0,0,0,0|1,1,0]=4 239 B12R1.194 CCS(=O)(=O)Nc1ccccc1 WXVL_AG00183HU0028 [0,2,0,0,0,0|1,1,0]=4 240 B12R1.194 CNS(=O)(=O)Cc1ccccc1 WXVL_AK00442HU0025 [0,2,0,0,0,0|1,1,0]=4 241 B12R1.194 CNS(=O)(=O)Cc1ccccc1 WXVL_AK00442HU0025 [0,2,0,0,0,0|1,1,0]=4