0 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 CN(C)c1ccncn1 WXVL_AN0032LP3358 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.6 CN(C)c1ccncn1 WXVL_AN0032LP3358 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.6 CN(C)c1ncccn1 WXVL_AN0032LP0002 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.6 CN(C)c1ncccn1 WXVL_AN0032LP0002 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.6 NC(=O)c1ccccc1 WXVL_AK0084SD0001 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.6 NC(=O)c1ccccc1 WXVL_AK0084SD0001 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.16 CN(CCO)c1ccncn1 WXVL_AN2670LP3358 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.16 CN(CCO)c1ccncn1 WXVL_AN2670LP3358 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.16 CN(CCO)c1ncccn1 WXVL_AN2670LP0002 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.16 CN(CCO)c1ncccn1 WXVL_AN2670LP0002 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.36 CC(C(=O)N)c1ccccc1 WXVL_AK0084SB2326 [0,1,0,0,0,0|0,0,2]=3 15 B11R1.36 CC(C(=O)N)c1ccccc1 WXVL_AK0084SB2326 [0,1,0,0,0,0|0,0,2]=3 16 B11R1.36 NC(=O)C(O)c1ccccc1 WXVL_AK0084SB0168 [0,1,0,0,0,0|1,0,2]=4 17 B11R1.36 NC(=O)C(O)c1ccccc1 WXVL_AK0084SB0168 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [0,0,0,0,0,1|2,0,1]=4 19 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [0,0,0,0,0,1|2,0,1]=4 20 B11R1.40 CC[C@H](C)Nc1ccncn1 WXVL_AK00678LP3358 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.40 CC[C@H](C)Nc1ccncn1 WXVL_AK00678LP3358 [0,0,0,0,0,1|3,0,0]=4 22 B11R1.40 CC[C@H](C)Nc1ncccn1 WXVL_AK00678LP0002 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.40 CC[C@H](C)Nc1ncccn1 WXVL_AK00678LP0002 [0,0,0,0,0,1|3,0,0]=4 24 B11R1.40 C[C@@H](CF)Nc1ccncn1 WXVL_AK00558LP3358 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.40 C[C@@H](CF)Nc1ccncn1 WXVL_AK00558LP3358 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.40 C[C@@H](CF)Nc1ncccn1 WXVL_AK00558LP0002 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.40 C[C@@H](CF)Nc1ncccn1 WXVL_AK00558LP0002 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.40 C[C@@H](CO)Nc1ccncn1 WXVL_AK0109LP3358 [0,0,0,0,0,1|2,0,0]=3 29 B11R1.40 C[C@@H](CO)Nc1ccncn1 WXVL_AK0109LP3358 [0,0,0,0,0,1|2,0,0]=3 30 B11R1.40 C[C@@H](CO)Nc1ncccn1 WXVL_AK0109LP0002 [0,0,0,0,0,1|2,0,0]=3 31 B11R1.40 C[C@@H](CO)Nc1ncccn1 WXVL_AK0109LP0002 [0,0,0,0,0,1|2,0,0]=3 32 B11R1.40 O=C(CO)Nc1ccccc1 WXVL_AG00183SB2706 [0,0,0,0,0,1|1,0,1]=3 33 B11R1.40 O=C(CO)Nc1ccccc1 WXVL_AG00183SB2706 [0,0,0,0,0,1|1,0,1]=3 34 B11R1.40 O=C(CO)Nc1ccccn1 WXVL_AF00298SB2706 [0,0,0,0,0,1|2,0,1]=4 35 B11R1.40 O=C(CO)Nc1ccccn1 WXVL_AF00298SB2706 [0,0,0,0,0,1|2,0,1]=4 36 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [1,1,0,0,0,0|0,0,2]=4 37 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [1,1,0,0,0,0|0,0,2]=4 38 B12R1.32 CC(CCO)Nc1ccncn1 WXVL_AK1288LP3358 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.32 CC(CCO)Nc1ccncn1 WXVL_AK1288LP3358 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.32 CC(CCO)Nc1ncccn1 WXVL_AK1288LP0002 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.32 CC(CCO)Nc1ncccn1 WXVL_AK1288LP0002 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [0,1,0,0,0,1|1,0,1]=4 43 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [0,1,0,0,0,1|1,0,1]=4 44 B12R1.32 COC[C@@H](C)Nc1ccncn1 WXVL_AK00613LP3358 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.32 COC[C@@H](C)Nc1ccncn1 WXVL_AK00613LP3358 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.32 COC[C@@H](C)Nc1ncccn1 WXVL_AK00613LP0002 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.32 COC[C@@H](C)Nc1ncccn1 WXVL_AK00613LP0002 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.32 COC[C@H](C)Nc1ccncn1 WXVL_AK0137LP3358 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.32 COC[C@H](C)Nc1ccncn1 WXVL_AK0137LP3358 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.32 COC[C@H](C)Nc1ncccn1 WXVL_AK0137LP0002 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.32 COC[C@H](C)Nc1ncccn1 WXVL_AK0137LP0002 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.43 CC(Cc1ccccc1)C(=O)N WXVL_AK0084SB3205 [0,1,0,0,0,1|0,0,2]=4 53 B12R1.43 CC(Cc1ccccc1)C(=O)N WXVL_AK0084SB3205 [0,1,0,0,0,1|0,0,2]=4 54 B12R1.43 CC(Oc1ccccc1)C(=O)N WXVL_AK0084SB0426 [0,1,0,0,0,1|0,0,2]=4 55 B12R1.43 CC(Oc1ccccc1)C(=O)N WXVL_AK0084SB0426 [0,1,0,0,0,1|0,0,2]=4 56 B12R1.43 CC(Sc1ccccc1)C(=O)N WXVL_AK0084SB9992 [0,1,0,0,0,1|0,0,2]=4 57 B12R1.43 CC(Sc1ccccc1)C(=O)N WXVL_AK0084SB9992 [0,1,0,0,0,1|0,0,2]=4 58 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 WXVL_AG00183SB1085 [0,1,0,0,0,1|1,0,1]=4 59 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 WXVL_AG00183SB1085 [0,1,0,0,0,1|1,0,1]=4 60 B12R1.43 C[C@@H](Oc1ccccc1)C(=O)N WXVL_AK0084SB5803 [0,1,0,0,0,1|0,0,2]=4 61 B12R1.43 C[C@@H](Oc1ccccc1)C(=O)N WXVL_AK0084SB5803 [0,1,0,0,0,1|0,0,2]=4 62 B12R1.49 C[C@@H](CO)Nc1ncc(cn1)Br WXVL_AK0109LQ1546 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.49 C[C@@H](CO)Nc1ncc(cn1)Br WXVL_AK0109LQ1546 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.49 C[C@@H](CO)Nc1ncc(cn1)F WXVL_AK0109LP0017 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.49 C[C@@H](CO)Nc1ncc(cn1)F WXVL_AK0109LP0017 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.49 C[C@@H](CO)Nc1ncc(cn1)I WXVL_AK0109LP3340 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.49 C[C@@H](CO)Nc1ncc(cn1)I WXVL_AK0109LP3340 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.49 Cc1cnc(nc1)N[C@@H](C)CO WXVL_AK0109LP0025 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.49 Cc1cnc(nc1)N[C@@H](C)CO WXVL_AK0109LP0025 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl WXVL_AG0062SB2706 [0,1,0,0,0,1|1,0,1]=4 71 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl WXVL_AG0062SB2706 [0,1,0,0,0,1|1,0,1]=4 72 B12R1.49 O=C(CO)Nc1ccc(cc1)I WXVL_AG1742SB2706 [0,1,0,0,0,1|1,0,1]=4 73 B12R1.49 O=C(CO)Nc1ccc(cc1)I WXVL_AG1742SB2706 [0,1,0,0,0,1|1,0,1]=4 74 B12R1.50 C[C@@H](CO)Nc1ccnc(n1)Br WXVL_AK0109LQ4646 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.50 C[C@@H](CO)Nc1ccnc(n1)Br WXVL_AK0109LQ4646 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.50 C[C@@H](CO)Nc1nccc(n1)Br WXVL_AK0109LQ3192 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.50 C[C@@H](CO)Nc1nccc(n1)Br WXVL_AK0109LQ3192 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.50 Cc1cc(ncn1)N[C@@H](C)CO WXVL_AK0109LP0109 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.50 Cc1cc(ncn1)N[C@@H](C)CO WXVL_AK0109LP0109 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.50 Cc1cccc(c1)NC(=O)CO WXVL_AG0052SB2706 [0,1,0,0,0,1|1,0,1]=4 81 B12R1.50 Cc1cccc(c1)NC(=O)CO WXVL_AG0052SB2706 [0,1,0,0,0,1|1,0,1]=4 82 B12R1.50 Cc1ccnc(n1)N[C@@H](C)CO WXVL_AK0109LP0007 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.50 Cc1ccnc(n1)N[C@@H](C)CO WXVL_AK0109LP0007 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.50 Cc1nccc(n1)N[C@@H](C)CO WXVL_AK0109LP0556 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.50 Cc1nccc(n1)N[C@@H](C)CO WXVL_AK0109LP0556 [0,1,0,0,0,1|2,0,0]=4 86 B12R1.50 O=C(CO)Nc1cccc(c1)I WXVL_AG0649SB2706 [0,1,0,0,0,1|1,0,1]=4 87 B12R1.50 O=C(CO)Nc1cccc(c1)I WXVL_AG0649SB2706 [0,1,0,0,0,1|1,0,1]=4 88 B12R1.50 O=C(CO)Nc1cccc(c1)O WXVL_AG00200SB2706 [0,1,0,0,0,1|1,0,1]=4 89 B12R1.50 O=C(CO)Nc1cccc(c1)O WXVL_AG00200SB2706 [0,1,0,0,0,1|1,0,1]=4 90 B12R1.118 CC[C@H](CO)Nc1ccncn1 WXVL_AK0111LP3358 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.118 CC[C@H](CO)Nc1ccncn1 WXVL_AK0111LP3358 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.118 CC[C@H](CO)Nc1ncccn1 WXVL_AK0111LP0002 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.118 CC[C@H](CO)Nc1ncccn1 WXVL_AK0111LP0002 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.118 OCC(CO)Nc1ccncn1 WXVL_AK0741LP3358 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.118 OCC(CO)Nc1ccncn1 WXVL_AK0741LP3358 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.118 OCC(CO)Nc1ncccn1 WXVL_AK0741LP0002 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.118 OCC(CO)Nc1ncccn1 WXVL_AK0741LP0002 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.194 CC(C)(CO)Nc1ccncn1 WXVL_AK0025LP3358 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.194 CC(C)(CO)Nc1ccncn1 WXVL_AK0025LP3358 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.194 CC(C)(CO)Nc1ncccn1 WXVL_AK0025LP0002 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.194 CC(C)(CO)Nc1ncccn1 WXVL_AK0025LP0002 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.371 C[C@@H](CO)Nc1ncncc1Br WXVL_AK0109LQ2111 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.371 C[C@@H](CO)Nc1ncncc1Br WXVL_AK0109LQ2111 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.371 C[C@@H](CO)Nc1ncncc1F WXVL_AK0109LP0435 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.371 C[C@@H](CO)Nc1ncncc1F WXVL_AK0109LP0435 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.371 C[C@@H](CO)Nc1ncncc1I WXVL_AK0109LP3348 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.371 C[C@@H](CO)Nc1ncncc1I WXVL_AK0109LP3348 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.371 Cc1ccccc1NC(=O)CO WXVL_AG0027SB2706 [0,1,0,0,0,1|1,0,1]=4 109 B12R1.371 Cc1ccccc1NC(=O)CO WXVL_AG0027SB2706 [0,1,0,0,0,1|1,0,1]=4 110 B12R1.371 Cc1cncnc1N[C@@H](C)CO WXVL_AK0109LP0053 [0,1,0,0,0,1|2,0,0]=4 111 B12R1.371 Cc1cncnc1N[C@@H](C)CO WXVL_AK0109LP0053 [0,1,0,0,0,1|2,0,0]=4 112 B12R1.371 O=C(CO)Nc1ccccc1Br WXVL_AG00180SB2706 [0,1,0,0,0,1|1,0,1]=4 113 B12R1.371 O=C(CO)Nc1ccccc1Br WXVL_AG00180SB2706 [0,1,0,0,0,1|1,0,1]=4 114 B12R1.371 O=C(CO)Nc1ccccc1Cl WXVL_AG00129SB2706 [0,1,0,0,0,1|1,0,1]=4 115 B12R1.371 O=C(CO)Nc1ccccc1Cl WXVL_AG00129SB2706 [0,1,0,0,0,1|1,0,1]=4 116 B12R1.371 O=C(CO)Nc1ccccc1I WXVL_AG0385SB2706 [0,1,0,0,0,1|1,0,1]=4 117 B12R1.371 O=C(CO)Nc1ccccc1I WXVL_AG0385SB2706 [0,1,0,0,0,1|1,0,1]=4 118 B12R1.253 CC(C)(C(=O)N)c1ccccc1 WXVL_AK0084SB0135 [0,2,0,0,0,0|0,0,2]=4 119 B12R1.253 CC(C)(C(=O)N)c1ccccc1 WXVL_AK0084SB0135 [0,2,0,0,0,0|0,0,2]=4 120 B12R1.478 CCC(C(=O)N)c1ccccc1 WXVL_AK0084SB0053 [0,2,0,0,0,0|0,0,2]=4 121 B12R1.478 CCC(C(=O)N)c1ccccc1 WXVL_AK0084SB0053 [0,2,0,0,0,0|0,0,2]=4 122 B12R1.478 CO[C@@H](C(=O)N)c1ccccc1 WXVL_AK0084SB0081 [0,2,0,0,0,0|0,0,2]=4 123 B12R1.478 CO[C@@H](C(=O)N)c1ccccc1 WXVL_AK0084SB0081 [0,2,0,0,0,0|0,0,2]=4 124 B12R1.478 NC(=O)C(CO)c1ccccc1 WXVL_AK0084SB3228 [0,2,0,0,0,0|0,0,1]=3 125 B12R1.478 NC(=O)C(CO)c1ccccc1 WXVL_AK0084SB3228 [0,2,0,0,0,0|0,0,1]=3 126 B12R1.107 CC(CC(=O)N)c1ccccc1 WXVL_AK0084SB0419 [0,2,0,0,0,0|0,0,1]=3 127 B12R1.107 CC(CC(=O)N)c1ccccc1 WXVL_AK0084SB0419 [0,2,0,0,0,0|0,0,1]=3 128 B12R1.107 NC(=O)CC(O)c1ccccc1 WXVL_AK0084SB2325 [0,2,0,0,0,0|1,0,1]=4 129 B12R1.107 NC(=O)CC(O)c1ccccc1 WXVL_AK0084SB2325 [0,2,0,0,0,0|1,0,1]=4 130 B12R1.20 CC(C(=O)N)c1ccc(cc1)Cl WXVL_AK0084SB0484 [0,2,0,0,0,0|0,0,2]=4 131 B12R1.20 CC(C(=O)N)c1ccc(cc1)Cl WXVL_AK0084SB0484 [0,2,0,0,0,0|0,0,2]=4 132 B12R1.20 CC(C(=O)N)c1ccc(cc1)O WXVL_AK0084SB5200 [0,2,0,0,0,0|0,0,2]=4 133 B12R1.20 CC(C(=O)N)c1ccc(cc1)O WXVL_AK0084SB5200 [0,2,0,0,0,0|0,0,2]=4 134 B12R1.20 Cc1ccc(cc1)C(C)C(=O)N WXVL_AK0084SB0423 [0,2,0,0,0,0|0,0,2]=4 135 B12R1.20 Cc1ccc(cc1)C(C)C(=O)N WXVL_AK0084SB0423 [0,2,0,0,0,0|0,0,2]=4 136 B12R1.27 O=C(CO)NCc1ccccc1 WXVL_AK00502SB2706 [0,0,0,0,0,2|1,0,1]=4 137 B12R1.27 O=C(CO)NCc1ccccc1 WXVL_AK00502SB2706 [0,0,0,0,0,2|1,0,1]=4