0 B11R1.40 C#CC(=O)Nc1ccccc1 WXVL_AG00183SB0338 [0,1,0,0,0,0|3,0,0]=4 1 B11R1.40 C#CC(=O)Nc1ccccc1 WXVL_AG00183SB0338 [0,1,0,0,0,0|3,0,0]=4 2 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [0,1,0,0,0,0|3,0,0]=4 3 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [0,1,0,0,0,0|3,0,0]=4 4 B11R1.40 CNC(=O)Cc1ccccc1 WXVL_AK00442SB0092 [0,1,0,0,0,0|1,0,1]=3 5 B11R1.40 CNC(=O)Cc1ccccc1 WXVL_AK00442SB0092 [0,1,0,0,0,0|1,0,1]=3 6 B11R1.40 CNC(=O)Cc1ccccn1 WXVL_AK00442SA0032 [0,1,0,0,0,0|2,0,1]=4 7 B11R1.40 CNC(=O)Cc1ccccn1 WXVL_AK00442SA0032 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SA0029 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SA0029 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SB00049 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SB00049 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.40 CNC(=O)Cc1ccncc1 WXVL_AK00442SA00106 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.40 CNC(=O)Cc1ccncc1 WXVL_AK00442SA00106 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.40 O=C(CO)Nc1ccccc1 WXVL_AG00183SB2706 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.40 O=C(CO)Nc1ccccc1 WXVL_AG00183SB2706 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.40 O=C(CO)Nc1ccccn1 WXVL_AF00298SB2706 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.40 O=C(CO)Nc1ccccn1 WXVL_AF00298SB2706 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.91 NC(=O)/C=C/c1ccccc1 WXVL_AK0084SB0115 [0,1,0,0,0,0|1,0,2]=4 21 B11R1.91 NC(=O)/C=C/c1ccccc1 WXVL_AK0084SB0115 [0,1,0,0,0,0|1,0,2]=4 22 B11R1.91 NC(=O)CCc1ccccc1 WXVL_AK0084SB0067 [0,1,0,0,0,0|1,0,2]=4 23 B11R1.91 NC(=O)CCc1ccccc1 WXVL_AK0084SB0067 [0,1,0,0,0,0|1,0,2]=4 24 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [1,1,0,0,0,0|1,0,1]=4 26 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [1,1,0,0,0,0|1,0,1]=4 27 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [1,1,0,0,0,0|0,0,1]=3 29 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [1,1,0,0,0,0|0,0,1]=3 30 B10R1.18 NC(=O)Cc1ccccn1 WXVL_AK0084SA0032 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.18 NC(=O)Cc1ccccn1 WXVL_AK0084SA0032 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.18 NC(=O)Cc1cccnc1 WXVL_AK0084SA0029 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.18 NC(=O)Cc1cccnc1 WXVL_AK0084SA0029 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.18 NC(=O)Cc1cccnc1 WXVL_AK0084SB00049 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.18 NC(=O)Cc1cccnc1 WXVL_AK0084SB00049 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.18 NC(=O)Cc1ccncc1 WXVL_AK0084SA00106 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.18 NC(=O)Cc1ccncc1 WXVL_AK0084SA00106 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.49 CNC(=O)Cc1ccc(cc1)Br WXVL_AK00442SB0926 [0,2,0,0,0,0|1,0,1]=4 39 B12R1.49 CNC(=O)Cc1ccc(cc1)Br WXVL_AK00442SB0926 [0,2,0,0,0,0|1,0,1]=4 40 B12R1.49 CNC(=O)Cc1ccc(cc1)C WXVL_AK00442SB0112 [0,2,0,0,0,0|1,0,1]=4 41 B12R1.49 CNC(=O)Cc1ccc(cc1)C WXVL_AK00442SB0112 [0,2,0,0,0,0|1,0,1]=4 42 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl WXVL_AK00442SB0107 [0,2,0,0,0,0|1,0,1]=4 43 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl WXVL_AK00442SB0107 [0,2,0,0,0,0|1,0,1]=4 44 B12R1.49 CNC(=O)Cc1ccc(cc1)F WXVL_AK00442SB0106 [0,2,0,0,0,0|1,0,1]=4 45 B12R1.49 CNC(=O)Cc1ccc(cc1)F WXVL_AK00442SB0106 [0,2,0,0,0,0|1,0,1]=4 46 B12R1.49 CNC(=O)Cc1ccc(cc1)O WXVL_AK00442SB0110 [0,2,0,0,0,0|1,0,1]=4 47 B12R1.49 CNC(=O)Cc1ccc(cc1)O WXVL_AK00442SB0110 [0,2,0,0,0,0|1,0,1]=4 48 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl WXVL_AG0062SB2706 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl WXVL_AG0062SB2706 [0,2,0,0,0,0|2,0,0]=4 50 B12R1.49 O=C(CO)Nc1ccc(cc1)I WXVL_AG1742SB2706 [0,2,0,0,0,0|2,0,0]=4 51 B12R1.49 O=C(CO)Nc1ccc(cc1)I WXVL_AG1742SB2706 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.34 CNC(=O)C(C)c1ccccc1 WXVL_AK00442SB2326 [0,2,0,0,0,0|1,0,1]=4 53 B12R1.34 CNC(=O)C(C)c1ccccc1 WXVL_AK00442SB2326 [0,2,0,0,0,0|1,0,1]=4 54 B12R1.34 CNC(=O)C(O)c1ccccc1 WXVL_AK00442SB0168 [0,2,0,0,0,0|1,0,1]=4 55 B12R1.34 CNC(=O)C(O)c1ccccc1 WXVL_AK00442SB0168 [0,2,0,0,0,0|1,0,1]=4 56 B12R1.371 CNC(=O)Cc1ccccc1Br WXVL_AK00442SB0093 [0,2,0,0,0,0|1,0,1]=4 57 B12R1.371 CNC(=O)Cc1ccccc1Br WXVL_AK00442SB0093 [0,2,0,0,0,0|1,0,1]=4 58 B12R1.371 CNC(=O)Cc1ccccc1C WXVL_AK00442SB0098 [0,2,0,0,0,0|1,0,1]=4 59 B12R1.371 CNC(=O)Cc1ccccc1C WXVL_AK00442SB0098 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.371 CNC(=O)Cc1ccccc1Cl WXVL_AK00442SB0095 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.371 CNC(=O)Cc1ccccc1Cl WXVL_AK00442SB0095 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.371 CNC(=O)Cc1ccccc1F WXVL_AK00442SB0094 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.371 CNC(=O)Cc1ccccc1F WXVL_AK00442SB0094 [0,2,0,0,0,0|1,0,1]=4 64 B12R1.371 CNC(=O)Cc1ccccc1I WXVL_AK00442SB1145 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.371 CNC(=O)Cc1ccccc1I WXVL_AK00442SB1145 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.371 CNC(=O)Cc1ccccc1O WXVL_AK00442SB0400 [0,2,0,0,0,0|1,0,1]=4 67 B12R1.371 CNC(=O)Cc1ccccc1O WXVL_AK00442SB0400 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.371 Cc1ccccc1NC(=O)CO WXVL_AG0027SB2706 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.371 Cc1ccccc1NC(=O)CO WXVL_AG0027SB2706 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.371 O=C(CO)Nc1ccccc1Br WXVL_AG00180SB2706 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.371 O=C(CO)Nc1ccccc1Br WXVL_AG00180SB2706 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.371 O=C(CO)Nc1ccccc1Cl WXVL_AG00129SB2706 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.371 O=C(CO)Nc1ccccc1Cl WXVL_AG00129SB2706 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.371 O=C(CO)Nc1ccccc1I WXVL_AG0385SB2706 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.371 O=C(CO)Nc1ccccc1I WXVL_AG0385SB2706 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.50 CNC(=O)Cc1cccc(c1)Br WXVL_AK00442SB0099 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.50 CNC(=O)Cc1cccc(c1)Br WXVL_AK00442SB0099 [0,2,0,0,0,0|1,0,1]=4 78 B12R1.50 CNC(=O)Cc1cccc(c1)C WXVL_AK00442SB0105 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.50 CNC(=O)Cc1cccc(c1)C WXVL_AK00442SB0105 [0,2,0,0,0,0|1,0,1]=4 80 B12R1.50 CNC(=O)Cc1cccc(c1)Cl WXVL_AK00442SB0101 [0,2,0,0,0,0|1,0,1]=4 81 B12R1.50 CNC(=O)Cc1cccc(c1)Cl WXVL_AK00442SB0101 [0,2,0,0,0,0|1,0,1]=4 82 B12R1.50 CNC(=O)Cc1cccc(c1)F WXVL_AK00442SB0100 [0,2,0,0,0,0|1,0,1]=4 83 B12R1.50 CNC(=O)Cc1cccc(c1)F WXVL_AK00442SB0100 [0,2,0,0,0,0|1,0,1]=4 84 B12R1.50 CNC(=O)Cc1cccc(c1)O WXVL_AK00442SB0104 [0,2,0,0,0,0|1,0,1]=4 85 B12R1.50 CNC(=O)Cc1cccc(c1)O WXVL_AK00442SB0104 [0,2,0,0,0,0|1,0,1]=4 86 B12R1.50 Cc1cccc(c1)NC(=O)CO WXVL_AG0052SB2706 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.50 Cc1cccc(c1)NC(=O)CO WXVL_AG0052SB2706 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.50 O=C(CO)Nc1cccc(c1)I WXVL_AG0649SB2706 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.50 O=C(CO)Nc1cccc(c1)I WXVL_AG0649SB2706 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.50 O=C(CO)Nc1cccc(c1)O WXVL_AG00200SB2706 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.50 O=C(CO)Nc1cccc(c1)O WXVL_AG00200SB2706 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.27 C#CC(=O)NCc1ccccc1 WXVL_AK00502SB0338 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.27 C#CC(=O)NCc1ccccc1 WXVL_AK00502SB0338 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [0,2,0,0,0,0|1,0,1]=4 97 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [0,2,0,0,0,0|1,0,1]=4 98 B12R1.27 CNC(=O)COc1ccccc1 WXVL_AK00442SB0086 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.27 CNC(=O)COc1ccccc1 WXVL_AK00442SB0086 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.27 CNC(=O)CSc1ccccc1 WXVL_AK00442SB0113 [0,2,0,0,0,0|1,0,1]=4 101 B12R1.27 CNC(=O)CSc1ccccc1 WXVL_AK00442SB0113 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.27 O=C(CO)NCc1ccccc1 WXVL_AK00502SB2706 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.27 O=C(CO)NCc1ccccc1 WXVL_AK00502SB2706 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.27 O=C(CO)NCc1ccccn1 WXVL_AK0018SB2706 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.27 O=C(CO)NCc1ccccn1 WXVL_AK0018SB2706 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.27 O=C(CO)NCc1cccnc1 WXVL_AK0020SB2706 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.27 O=C(CO)NCc1cccnc1 WXVL_AK0020SB2706 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.27 O=C(CO)NCc1ccncc1 WXVL_AK0021SB2706 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.27 O=C(CO)NCc1ccncc1 WXVL_AK0021SB2706 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [0,2,0,0,0,0|1,0,1]=4 111 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [0,2,0,0,0,0|1,0,1]=4 112 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.43 C=C(Cc1ccccc1)C(=O)N WXVL_AK0084SB0413 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.43 C=C(Cc1ccccc1)C(=O)N WXVL_AK0084SB0413 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.43 CN(C)C(=O)Cc1ccccc1 WXVL_AN0032SB0092 [0,2,0,0,0,0|1,0,1]=4 117 B12R1.43 CN(C)C(=O)Cc1ccccc1 WXVL_AN0032SB0092 [0,2,0,0,0,0|1,0,1]=4 118 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 WXVL_AG00183SB1085 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 WXVL_AG00183SB1085 [0,2,0,0,0,0|2,0,0]=4 120 B12R2.2 c1cc(ccn1)c2cnoc2 WXVL_LR0706BT0574 [0,1,0,1,0,0|1,0,1]=4 121 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT0919 [0,1,0,1,0,0|1,0,1]=4 122 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT1115 [0,1,0,1,0,0|1,0,1]=4 123 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT2957 [0,1,0,1,0,0|1,0,1]=4 124 B12R2.2 c1ccc(cc1)c2cn[nH]n2 WXVL_LR0395BT0919 [0,1,0,1,0,0|1,0,1]=4 125 B12R2.2 c1ccc(cc1)c2cn[nH]n2 WXVL_LR0395BT1115 [0,1,0,1,0,0|1,0,1]=4 126 B12R2.2 c1ccc(cc1)c2cn[nH]n2 WXVL_LR0395BT2957 [0,1,0,1,0,0|1,0,1]=4 127 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT0919 [0,1,0,1,0,0|1,0,1]=4 128 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT1115 [0,1,0,1,0,0|1,0,1]=4 129 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT2957 [0,1,0,1,0,0|1,0,1]=4 130 B12R2.2 c1ccc(cc1)c2cnoc2 WXVL_LR0706BT0919 [0,1,0,1,0,0|0,0,1]=3 131 B12R2.2 c1ccc(cc1)c2cnoc2 WXVL_LR0706BT1115 [0,1,0,1,0,0|0,0,1]=3 132 B12R2.2 c1ccc(cc1)c2cnoc2 WXVL_LR0706BT2957 [0,1,0,1,0,0|0,0,1]=3 133 B12R2.2 c1ccc(cc1)c2cnsc2 WXVL_LR0652BT0919 [0,1,0,1,0,0|0,1,1]=4 134 B12R2.2 c1ccc(cc1)c2cnsc2 WXVL_LR0652BT1115 [0,1,0,1,0,0|0,1,1]=4 135 B12R2.2 c1ccc(cc1)c2cnsc2 WXVL_LR0652BT2957 [0,1,0,1,0,0|0,1,1]=4 136 B12R2.2 c1ccc(cc1)c2ncns2 WXVL_LR0623BT0919 [0,1,0,1,0,0|0,1,1]=4 137 B12R2.2 c1ccc(cc1)c2ncns2 WXVL_LR0623BT1115 [0,1,0,1,0,0|0,1,1]=4 138 B12R2.2 c1ccc(cc1)c2ncns2 WXVL_LR0623BT2957 [0,1,0,1,0,0|0,1,1]=4 139 B12R2.2 c1ccc(nc1)c2cnoc2 WXVL_LR0706BT0164 [0,1,0,1,0,0|1,0,1]=4 140 B12R2.2 c1cncc(c1)c2cnoc2 WXVL_LR0706BT1208 [0,1,0,1,0,0|1,0,1]=4 141 B12R2.2 c1cncc(c1)c2cnoc2 WXVL_LR0706BT3912 [0,1,0,1,0,0|1,0,1]=4