0 B11R1.25 CCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0064 [0,1,0,0,0,0|2,0,1]=4 1 B11R1.25 CCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0064 [0,1,0,0,0,0|2,0,1]=4 2 B11R1.25 CCC(=O)NCc1ccco1 WXVL_AK0010SB0064 [0,1,0,0,0,0|1,1,1]=4 3 B11R1.25 CCC(=O)NCc1ccco1 WXVL_AK0010SB0064 [0,1,0,0,0,0|1,1,1]=4 4 B11R1.25 CCC(=O)NCc1cccs1 WXVL_AK0014SB0064 [0,1,0,0,0,0|1,0,1]=3 5 B11R1.25 CCC(=O)NCc1cccs1 WXVL_AK0014SB0064 [0,1,0,0,0,0|1,0,1]=3 6 B11R1.25 CCC(=O)NCc1cncs1 WXVL_AK0526SB0064 [0,1,0,0,0,0|2,0,1]=4 7 B11R1.25 CCC(=O)NCc1cncs1 WXVL_AK0526SB0064 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.25 CCC(=O)NCc1nccs1 WXVL_AK0153SB0064 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.25 CCC(=O)NCc1nccs1 WXVL_AK0153SB0064 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.25 CNC(=O)CCc1ccc[nH]1 WXVL_AK00442SA0009 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.25 CNC(=O)CCc1ccc[nH]1 WXVL_AK00442SA0009 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.25 CNC(=O)CCc1ccco1 WXVL_AK00442SA0167 [0,1,0,0,0,0|1,1,1]=4 13 B11R1.25 CNC(=O)CCc1ccco1 WXVL_AK00442SA0167 [0,1,0,0,0,0|1,1,1]=4 14 B11R1.25 CNC(=O)CCc1cccs1 WXVL_AK00442SA0303 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.25 CNC(=O)CCc1cccs1 WXVL_AK00442SA0303 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.25 O=C(CO)NCc1cccs1 WXVL_AK0014SB2706 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.25 O=C(CO)NCc1cccs1 WXVL_AK0014SB2706 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.29 CCCNC(=O)c1ccco1 WXVL_AK00504SC0049 [0,1,0,0,0,0|1,1,1]=4 19 B11R1.29 CCCNC(=O)c1ccco1 WXVL_AK00504SC0049 [0,1,0,0,0,0|1,1,1]=4 20 B11R1.29 CCCNC(=O)c1cccs1 WXVL_AK00504SC0051 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.29 CCCNC(=O)c1cccs1 WXVL_AK00504SC0051 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.29 CCCNC(=O)c1ccns1 WXVL_AK00504SC0027 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.29 CCCNC(=O)c1ccns1 WXVL_AK00504SC0027 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.29 CCCNC(=O)c1cncs1 WXVL_AK00504SC0113 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.29 CCCNC(=O)c1cncs1 WXVL_AK00504SC0113 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.29 CCCNC(=O)c1nccs1 WXVL_AK00504SC0110 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.29 CCCNC(=O)c1nccs1 WXVL_AK00504SC0110 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.29 O=C(NCCF)c1cccs1 WXVL_AK00466SC0051 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.29 O=C(NCCF)c1cccs1 WXVL_AK00466SC0051 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.30 CCCC(=O)Nc1ccns1 WXVL_AF00325SB0073 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.30 CCCC(=O)Nc1ccns1 WXVL_AF00325SB0073 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.30 CCCC(=O)Nc1cncs1 WXVL_AF0724SB0073 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.30 CCCC(=O)Nc1cncs1 WXVL_AF0724SB0073 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.30 CCCC(=O)Nc1nccs1 WXVL_AF0003SB0073 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.30 CCCC(=O)Nc1nccs1 WXVL_AF0003SB0073 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.30 CCNC(=O)Cc1cccs1 WXVL_AK00476SA0018 [0,1,0,0,0,0|1,0,1]=3 37 B11R1.30 CCNC(=O)Cc1cccs1 WXVL_AK00476SA0018 [0,1,0,0,0,0|1,0,1]=3 38 B11R1.172 CC(=O)NCCc1ccco1 WXVL_AK0989SB0150 [0,1,0,0,0,0|1,1,1]=4 39 B11R1.172 CC(=O)NCCc1ccco1 WXVL_AK0989SB0150 [0,1,0,0,0,0|1,1,1]=4 40 B11R1.172 CC(=O)NCCc1cccs1 WXVL_AK0098SB0150 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.172 CC(=O)NCCc1cccs1 WXVL_AK0098SB0150 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.172 CC(=O)NCCc1nccs1 WXVL_AK0181SB0150 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.172 CC(=O)NCCc1nccs1 WXVL_AK0181SB0150 [0,1,0,0,0,0|2,0,1]=4 44 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,0,1,0,0,0|1,1,1]=4 45 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,0,1,0,0,0|1,1,1]=4 46 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [0,0,1,0,0,0|1,1,1]=4 47 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [0,0,1,0,0,0|1,1,1]=4 48 B11R2.2 C1=C(CCC1)c2cccs2 WXVL_LR0498BT0967 [0,0,0,1,0,0|0,0,2]=3 49 B11R2.2 C1=C(CCO1)c2cccs2 WXVL_LR0498BT5753 [0,0,0,1,0,0|1,0,2]=4 50 B11R2.2 C1=C(COC1)c2cccs2 WXVL_LR0498BT1456 [0,0,0,1,0,0|1,0,2]=4 51 B11R1.28 CCCCNc1ccncn1 WXVL_AK00588LP3358 [0,0,0,0,0,1|2,0,0]=3 52 B11R1.28 CCCCNc1ccncn1 WXVL_AK00588LP3358 [0,0,0,0,0,1|2,0,0]=3 53 B11R1.28 CCCCNc1ncccn1 WXVL_AK00588LP0002 [0,0,0,0,0,1|2,0,0]=3 54 B11R1.28 CCCCNc1ncccn1 WXVL_AK00588LP0002 [0,0,0,0,0,1|2,0,0]=3 55 B11R1.28 CSCCNc1ccncn1 WXVL_AK00440LP3358 [0,0,0,0,0,1|3,0,0]=4 56 B11R1.28 CSCCNc1ccncn1 WXVL_AK00440LP3358 [0,0,0,0,0,1|3,0,0]=4 57 B11R1.28 CSCCNc1ncccn1 WXVL_AK00440LP0002 [0,0,0,0,0,1|3,0,0]=4 58 B11R1.28 CSCCNc1ncccn1 WXVL_AK00440LP0002 [0,0,0,0,0,1|3,0,0]=4 59 B11R1.28 OCCCNc1ccncn1 WXVL_AK0073LP3358 [0,0,0,0,0,1|3,0,0]=4 60 B11R1.28 OCCCNc1ccncn1 WXVL_AK0073LP3358 [0,0,0,0,0,1|3,0,0]=4 61 B11R1.28 OCCCNc1ncccn1 WXVL_AK0073LP0002 [0,0,0,0,0,1|3,0,0]=4 62 B11R1.28 OCCCNc1ncccn1 WXVL_AK0073LP0002 [0,0,0,0,0,1|3,0,0]=4 63 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [0,1,1,0,0,0|0,1,1]=4 64 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [0,1,1,0,0,0|0,1,1]=4 65 B10R0.1 C=CCC(=O)NCCCCC WXVL_AK0076SB2732 [0,1,1,0,0,0|0,1,1]=4 66 B10R0.1 C=CCC(=O)NCCCCC WXVL_AK0076SB2732 [0,1,1,0,0,0|0,1,1]=4 67 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [0,1,1,0,0,0|2,0,0]=4 68 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [0,1,1,0,0,0|2,0,0]=4 69 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.27 CNC(=O)Cc1cccs1 WXVL_AK00442SA0018 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.27 CNC(=O)Cc1cccs1 WXVL_AK00442SA0018 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.66 CC(=O)NCc1cccs1 WXVL_AK0014SB0150 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.66 CC(=O)NCc1cccs1 WXVL_AK0014SB0150 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.66 NC(=O)CCc1cccs1 WXVL_AK0084SA0303 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.66 NC(=O)CCc1cccs1 WXVL_AK0084SA0303 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.1 CCCCNc1ncc(cn1)Br WXVL_AK00588LQ1546 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.1 CCCCNc1ncc(cn1)Br WXVL_AK00588LQ1546 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.1 CCCCNc1ncc(cn1)C WXVL_AK00588LP0025 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.1 CCCCNc1ncc(cn1)C WXVL_AK00588LP0025 [0,1,0,0,0,1|2,0,0]=4 81 B12R1.1 CCCCNc1ncc(cn1)F WXVL_AK00588LP0017 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.1 CCCCNc1ncc(cn1)F WXVL_AK00588LP0017 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.1 CCCCNc1ncc(cn1)I WXVL_AK00588LP3340 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.1 CCCCNc1ncc(cn1)I WXVL_AK00588LP3340 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.8 CCCCCNc1ccncn1 WXVL_AK0076LP3358 [0,1,0,0,0,1|1,0,0]=3 86 B12R1.8 CCCCCNc1ccncn1 WXVL_AK0076LP3358 [0,1,0,0,0,1|1,0,0]=3 87 B12R1.8 CCCCCNc1ncccn1 WXVL_AK0076LP0002 [0,1,0,0,0,1|1,0,0]=3 88 B12R1.8 CCCCCNc1ncccn1 WXVL_AK0076LP0002 [0,1,0,0,0,1|1,0,0]=3 89 B12R1.8 CCSCCNc1ccncn1 WXVL_AK00494LP3358 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.8 CCSCCNc1ccncn1 WXVL_AK00494LP3358 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.8 CCSCCNc1ncccn1 WXVL_AK00494LP0002 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.8 CCSCCNc1ncccn1 WXVL_AK00494LP0002 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.8 COCCCNc1ccncn1 WXVL_AK00637LP3358 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.8 COCCCNc1ccncn1 WXVL_AK00637LP3358 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.8 COCCCNc1ncccn1 WXVL_AK00637LP0002 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.8 COCCCNc1ncccn1 WXVL_AK00637LP0002 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.8 CSCCCNc1ccncn1 WXVL_AK0965LP3358 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.8 CSCCCNc1ccncn1 WXVL_AK0965LP3358 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.8 CSCCCNc1ncccn1 WXVL_AK0965LP0002 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.8 CSCCCNc1ncccn1 WXVL_AK0965LP0002 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.8 OCCCCNc1ccncn1 WXVL_AK0075LP3358 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.8 OCCCCNc1ccncn1 WXVL_AK0075LP3358 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.8 OCCCCNc1ncccn1 WXVL_AK0075LP0002 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.8 OCCCCNc1ncccn1 WXVL_AK0075LP0002 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.28 CCCCNc1cc(ncn1)C WXVL_AK00588LP0109 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.28 CCCCNc1cc(ncn1)C WXVL_AK00588LP0109 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.28 CCCCNc1ccnc(n1)Br WXVL_AK00588LQ4646 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.28 CCCCNc1ccnc(n1)Br WXVL_AK00588LQ4646 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.28 CCCCNc1ccnc(n1)C WXVL_AK00588LP0556 [0,1,0,0,0,1|2,0,0]=4 110 B12R1.28 CCCCNc1ccnc(n1)C WXVL_AK00588LP0556 [0,1,0,0,0,1|2,0,0]=4 111 B12R1.28 CCCCNc1nccc(n1)Br WXVL_AK00588LQ3192 [0,1,0,0,0,1|2,0,0]=4 112 B12R1.28 CCCCNc1nccc(n1)Br WXVL_AK00588LQ3192 [0,1,0,0,0,1|2,0,0]=4 113 B12R1.28 CCCCNc1nccc(n1)C WXVL_AK00588LP0007 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.28 CCCCNc1nccc(n1)C WXVL_AK00588LP0007 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.32 CCC[C@H](C)Nc1ccncn1 WXVL_AK00682LP3358 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.32 CCC[C@H](C)Nc1ccncn1 WXVL_AK00682LP3358 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.32 CCC[C@H](C)Nc1ncccn1 WXVL_AK00682LP0002 [0,1,0,0,0,1|2,0,0]=4 118 B12R1.32 CCC[C@H](C)Nc1ncccn1 WXVL_AK00682LP0002 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.252 CC(C)CCNc1ccncn1 WXVL_AK0068LP3358 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.252 CC(C)CCNc1ccncn1 WXVL_AK0068LP3358 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.252 CC(C)CCNc1ncccn1 WXVL_AK0068LP0002 [0,1,0,0,0,1|2,0,0]=4 122 B12R1.252 CC(C)CCNc1ncccn1 WXVL_AK0068LP0002 [0,1,0,0,0,1|2,0,0]=4 123 B12R1.267 CCCCNc1ncncc1Br WXVL_AK00588LQ2111 [0,1,0,0,0,1|2,0,0]=4 124 B12R1.267 CCCCNc1ncncc1Br WXVL_AK00588LQ2111 [0,1,0,0,0,1|2,0,0]=4 125 B12R1.267 CCCCNc1ncncc1C WXVL_AK00588LP0053 [0,1,0,0,0,1|2,0,0]=4 126 B12R1.267 CCCCNc1ncncc1C WXVL_AK00588LP0053 [0,1,0,0,0,1|2,0,0]=4 127 B12R1.267 CCCCNc1ncncc1F WXVL_AK00588LP0435 [0,1,0,0,0,1|2,0,0]=4 128 B12R1.267 CCCCNc1ncncc1F WXVL_AK00588LP0435 [0,1,0,0,0,1|2,0,0]=4 129 B12R1.267 CCCCNc1ncncc1I WXVL_AK00588LP3348 [0,1,0,0,0,1|2,0,0]=4 130 B12R1.267 CCCCNc1ncncc1I WXVL_AK00588LP3348 [0,1,0,0,0,1|2,0,0]=4 131 B12R1.35 CCCCNC(=O)c1ccco1 WXVL_AK00588SC0049 [0,2,0,0,0,0|0,1,1]=4 132 B12R1.35 CCCCNC(=O)c1ccco1 WXVL_AK00588SC0049 [0,2,0,0,0,0|0,1,1]=4 133 B12R1.35 CCCCNC(=O)c1cccs1 WXVL_AK00588SC0051 [0,2,0,0,0,0|0,0,1]=3 134 B12R1.35 CCCCNC(=O)c1cccs1 WXVL_AK00588SC0051 [0,2,0,0,0,0|0,0,1]=3 135 B12R1.35 CCCCNC(=O)c1ccns1 WXVL_AK00588SC0027 [0,2,0,0,0,0|1,0,1]=4 136 B12R1.35 CCCCNC(=O)c1ccns1 WXVL_AK00588SC0027 [0,2,0,0,0,0|1,0,1]=4 137 B12R1.35 CCCCNC(=O)c1cncs1 WXVL_AK00588SC0113 [0,2,0,0,0,0|1,0,1]=4 138 B12R1.35 CCCCNC(=O)c1cncs1 WXVL_AK00588SC0113 [0,2,0,0,0,0|1,0,1]=4 139 B12R1.35 CCCCNC(=O)c1nccs1 WXVL_AK00588SC0110 [0,2,0,0,0,0|1,0,1]=4 140 B12R1.35 CCCCNC(=O)c1nccs1 WXVL_AK00588SC0110 [0,2,0,0,0,0|1,0,1]=4 141 B12R1.35 CSCCNC(=O)c1cccs1 WXVL_AK00440SC0051 [0,2,0,0,0,0|1,0,1]=4 142 B12R1.35 CSCCNC(=O)c1cccs1 WXVL_AK00440SC0051 [0,2,0,0,0,0|1,0,1]=4 143 B12R1.35 O=C(NCCCO)c1cccs1 WXVL_AK0073SC0051 [0,2,0,0,0,0|1,0,1]=4 144 B12R1.35 O=C(NCCCO)c1cccs1 WXVL_AK0073SC0051 [0,2,0,0,0,0|1,0,1]=4 145 B12R1.51 CCCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0073 [0,2,0,0,0,0|1,0,1]=4 146 B12R1.51 CCCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0073 [0,2,0,0,0,0|1,0,1]=4 147 B12R1.51 CCCC(=O)NCc1ccco1 WXVL_AK0010SB0073 [0,2,0,0,0,0|0,1,1]=4 148 B12R1.51 CCCC(=O)NCc1ccco1 WXVL_AK0010SB0073 [0,2,0,0,0,0|0,1,1]=4 149 B12R1.51 CCCC(=O)NCc1cccs1 WXVL_AK0014SB0073 [0,2,0,0,0,0|0,0,1]=3 150 B12R1.51 CCCC(=O)NCc1cccs1 WXVL_AK0014SB0073 [0,2,0,0,0,0|0,0,1]=3 151 B12R1.51 CCCC(=O)NCc1cncs1 WXVL_AK0526SB0073 [0,2,0,0,0,0|1,0,1]=4 152 B12R1.51 CCCC(=O)NCc1cncs1 WXVL_AK0526SB0073 [0,2,0,0,0,0|1,0,1]=4 153 B12R1.51 CCCC(=O)NCc1nccs1 WXVL_AK0153SB0073 [0,2,0,0,0,0|1,0,1]=4 154 B12R1.51 CCCC(=O)NCc1nccs1 WXVL_AK0153SB0073 [0,2,0,0,0,0|1,0,1]=4 155 B12R1.51 CCNC(=O)CCc1ccc[nH]1 WXVL_AK00476SA0009 [0,2,0,0,0,0|1,0,1]=4 156 B12R1.51 CCNC(=O)CCc1ccc[nH]1 WXVL_AK00476SA0009 [0,2,0,0,0,0|1,0,1]=4 157 B12R1.51 CCNC(=O)CCc1ccco1 WXVL_AK00476SA0167 [0,2,0,0,0,0|0,1,1]=4 158 B12R1.51 CCNC(=O)CCc1ccco1 WXVL_AK00476SA0167 [0,2,0,0,0,0|0,1,1]=4 159 B12R1.51 CCNC(=O)CCc1cccs1 WXVL_AK00476SA0303 [0,2,0,0,0,0|0,0,1]=3 160 B12R1.51 CCNC(=O)CCc1cccs1 WXVL_AK00476SA0303 [0,2,0,0,0,0|0,0,1]=3 161 B12R1.51 COCC(=O)NCc1cccs1 WXVL_AK0014SB0090 [0,2,0,0,0,0|1,0,1]=4 162 B12R1.51 COCC(=O)NCc1cccs1 WXVL_AK0014SB0090 [0,2,0,0,0,0|1,0,1]=4 163 B12R1.51 CSCC(=O)NCc1cccs1 WXVL_AK0014SB1267 [0,2,0,0,0,0|1,0,1]=4 164 B12R1.51 CSCC(=O)NCc1cccs1 WXVL_AK0014SB1267 [0,2,0,0,0,0|1,0,1]=4 165 B12R1.53 CCCNC(=O)Cc1cccs1 WXVL_AK00504SA0018 [0,2,0,0,0,0|0,0,1]=3 166 B12R1.53 CCCNC(=O)Cc1cccs1 WXVL_AK00504SA0018 [0,2,0,0,0,0|0,0,1]=3 167 B12R1.53 O=C(Cc1cccs1)NCCF WXVL_AK00466SA0018 [0,2,0,0,0,0|1,0,1]=4 168 B12R1.53 O=C(Cc1cccs1)NCCF WXVL_AK00466SA0018 [0,2,0,0,0,0|1,0,1]=4 169 B12R1.477 CCC(=O)NCCc1ccco1 WXVL_AK0989SB0064 [0,2,0,0,0,0|0,1,1]=4 170 B12R1.477 CCC(=O)NCCc1ccco1 WXVL_AK0989SB0064 [0,2,0,0,0,0|0,1,1]=4 171 B12R1.477 CCC(=O)NCCc1cccs1 WXVL_AK0098SB0064 [0,2,0,0,0,0|0,0,1]=3 172 B12R1.477 CCC(=O)NCCc1cccs1 WXVL_AK0098SB0064 [0,2,0,0,0,0|0,0,1]=3 173 B12R1.477 CCC(=O)NCCc1nccs1 WXVL_AK0181SB0064 [0,2,0,0,0,0|1,0,1]=4 174 B12R1.477 CCC(=O)NCCc1nccs1 WXVL_AK0181SB0064 [0,2,0,0,0,0|1,0,1]=4 175 B12R1.477 O=C(CO)NCCc1cccs1 WXVL_AK0098SB2706 [0,2,0,0,0,0|1,0,1]=4 176 B12R1.477 O=C(CO)NCCc1cccs1 WXVL_AK0098SB2706 [0,2,0,0,0,0|1,0,1]=4 177 B12R1.15 CCC(=O)N[C@@H](C)c1cccs1 WXVL_AK00667SB0064 [0,2,0,0,0,0|1,0,1]=4 178 B12R1.15 CCC(=O)N[C@@H](C)c1cccs1 WXVL_AK00667SB0064 [0,2,0,0,0,0|1,0,1]=4 179 B12R1.15 CC[C@H](C)NC(=O)c1cccs1 WXVL_AK00678SC0051 [0,2,0,0,0,0|1,0,1]=4 180 B12R1.15 CC[C@H](C)NC(=O)c1cccs1 WXVL_AK00678SC0051 [0,2,0,0,0,0|1,0,1]=4 181 B12R1.26 CCC(=O)NCc1cc(cs1)Br WXVL_AK00192SB0064 [0,2,0,0,0,0|1,0,1]=4 182 B12R1.26 CCC(=O)NCc1cc(cs1)Br WXVL_AK00192SB0064 [0,2,0,0,0,0|1,0,1]=4 183 B12R1.26 CCC(=O)NCc1ccc(s1)Br WXVL_AK2468SB0064 [0,2,0,0,0,0|1,0,1]=4 184 B12R1.26 CCC(=O)NCc1ccc(s1)Br WXVL_AK2468SB0064 [0,2,0,0,0,0|1,0,1]=4 185 B12R1.26 CCC(=O)NCc1ccc(s1)C WXVL_AK0276SB0064 [0,2,0,0,0,0|1,0,1]=4 186 B12R1.26 CCC(=O)NCc1ccc(s1)C WXVL_AK0276SB0064 [0,2,0,0,0,0|1,0,1]=4 187 B12R1.26 CCC(=O)NCc1ccc(s1)Cl WXVL_AK00166SB0064 [0,2,0,0,0,0|1,0,1]=4 188 B12R1.26 CCC(=O)NCc1ccc(s1)Cl WXVL_AK00166SB0064 [0,2,0,0,0,0|1,0,1]=4 189 B12R1.26 CNC(=O)CCc1cc(cs1)C WXVL_AK00442SA0123 [0,2,0,0,0,0|1,0,1]=4 190 B12R1.26 CNC(=O)CCc1cc(cs1)C WXVL_AK00442SA0123 [0,2,0,0,0,0|1,0,1]=4 191 B12R1.26 CNC(=O)CCc1ccc(s1)C WXVL_AK00442SA0110 [0,2,0,0,0,0|1,0,1]=4 192 B12R1.26 CNC(=O)CCc1ccc(s1)C WXVL_AK00442SA0110 [0,2,0,0,0,0|1,0,1]=4 193 B12R1.196 CCS(=O)(=O)NCc1cccs1 WXVL_AK0014HU0028 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.196 CCS(=O)(=O)NCc1cccs1 WXVL_AK0014HU0028 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.264 CC(C)C(=O)NCc1cccs1 WXVL_AK0014SB0052 [0,2,0,0,0,0|1,0,1]=4 196 B12R1.264 CC(C)C(=O)NCc1cccs1 WXVL_AK0014SB0052 [0,2,0,0,0,0|1,0,1]=4 197 B12R1.264 CC(S)C(=O)NCc1cccs1 WXVL_AK0014SB2708 [0,2,0,0,0,0|1,0,1]=4 198 B12R1.264 CC(S)C(=O)NCc1cccs1 WXVL_AK0014SB2708 [0,2,0,0,0,0|1,0,1]=4 199 B12R1.264 CN(C)C(=O)CCc1cccs1 WXVL_AN0032SA0303 [0,2,0,0,0,0|1,0,1]=4 200 B12R1.264 CN(C)C(=O)CCc1cccs1 WXVL_AN0032SA0303 [0,2,0,0,0,0|1,0,1]=4 201 B12R1.264 C[C@@H](O)C(=O)NCc1cccs1 WXVL_AK0014SB1085 [0,2,0,0,0,0|1,0,1]=4 202 B12R1.264 C[C@@H](O)C(=O)NCc1cccs1 WXVL_AK0014SB1085 [0,2,0,0,0,0|1,0,1]=4 203 B12R1.353 CCC(=O)NCc1sccc1Cl WXVL_AK4332SB0064 [0,2,0,0,0,0|1,0,1]=4 204 B12R1.353 CCC(=O)NCc1sccc1Cl WXVL_AK4332SB0064 [0,2,0,0,0,0|1,0,1]=4 205 B12R1.29 CCCNC(=O)c1cc(cs1)Br WXVL_AK00504SC0188 [0,2,0,0,0,0|1,0,1]=4 206 B12R1.29 CCCNC(=O)c1cc(cs1)Br WXVL_AK00504SC0188 [0,2,0,0,0,0|1,0,1]=4 207 B12R1.29 CCCNC(=O)c1cc(cs1)C WXVL_AK00504SC0004 [0,2,0,0,0,0|1,0,1]=4 208 B12R1.29 CCCNC(=O)c1cc(cs1)C WXVL_AK00504SC0004 [0,2,0,0,0,0|1,0,1]=4 209 B12R1.29 CCCNC(=O)c1ccc(s1)Br WXVL_AK00504SC0359 [0,2,0,0,0,0|1,0,1]=4 210 B12R1.29 CCCNC(=O)c1ccc(s1)Br WXVL_AK00504SC0359 [0,2,0,0,0,0|1,0,1]=4 211 B12R1.29 CCCNC(=O)c1ccc(s1)C WXVL_AK00504SC0053 [0,2,0,0,0,0|1,0,1]=4 212 B12R1.29 CCCNC(=O)c1ccc(s1)C WXVL_AK00504SC0053 [0,2,0,0,0,0|1,0,1]=4 213 B12R1.29 CCCNC(=O)c1ccc(s1)Cl WXVL_AK00504SC0067 [0,2,0,0,0,0|1,0,1]=4 214 B12R1.29 CCCNC(=O)c1ccc(s1)Cl WXVL_AK00504SC0067 [0,2,0,0,0,0|1,0,1]=4 215 B12R1.31 CCNC(=O)Cc1cc(cs1)Br WXVL_AK00476SA0181 [0,2,0,0,0,0|1,0,1]=4 216 B12R1.31 CCNC(=O)Cc1cc(cs1)Br WXVL_AK00476SA0181 [0,2,0,0,0,0|1,0,1]=4 217 B12R1.31 CCNC(=O)Cc1ccc(s1)Cl WXVL_AK00476SA0043 [0,2,0,0,0,0|1,0,1]=4 218 B12R1.31 CCNC(=O)Cc1ccc(s1)Cl WXVL_AK00476SA0043 [0,2,0,0,0,0|1,0,1]=4 219 B12R1.105 CC(=O)NCCc1ccc(s1)Br WXVL_AK5921SB0150 [0,2,0,0,0,0|1,0,1]=4 220 B12R1.105 CC(=O)NCCc1ccc(s1)Br WXVL_AK5921SB0150 [0,2,0,0,0,0|1,0,1]=4 221 B12R1.54 CC(C)CNC(=O)c1cccs1 WXVL_AK00544SC0051 [0,2,0,0,0,0|1,0,1]=4 222 B12R1.54 CC(C)CNC(=O)c1cccs1 WXVL_AK00544SC0051 [0,2,0,0,0,0|1,0,1]=4 223 B12R1.54 CC(O)CNC(=O)c1cccs1 WXVL_AK0052SC0051 [0,2,0,0,0,0|1,0,1]=4 224 B12R1.54 CC(O)CNC(=O)c1cccs1 WXVL_AK0052SC0051 [0,2,0,0,0,0|1,0,1]=4 225 B12R1.54 C[C@H](O)CNC(=O)c1cccs1 WXVL_AK0113SC0051 [0,2,0,0,0,0|1,0,1]=4 226 B12R1.54 C[C@H](O)CNC(=O)c1cccs1 WXVL_AK0113SC0051 [0,2,0,0,0,0|1,0,1]=4 227 B12R1.55 CCNC(=O)C(C)c1cccs1 WXVL_AK00476SA1203 [0,2,0,0,0,0|1,0,1]=4 228 B12R1.55 CCNC(=O)C(C)c1cccs1 WXVL_AK00476SA1203 [0,2,0,0,0,0|1,0,1]=4 229 B12R1.99 CCCNS(=O)(=O)c1cccs1 WXVL_AK00504HU0005 [0,2,0,0,0,0|2,0,0]=4 230 B12R1.99 CCCNS(=O)(=O)c1cccs1 WXVL_AK00504HU0005 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.460 CCCNC(=O)c1sccc1Br WXVL_AK00504SC0364 [0,2,0,0,0,0|1,0,1]=4 232 B12R1.460 CCCNC(=O)c1sccc1Br WXVL_AK00504SC0364 [0,2,0,0,0,0|1,0,1]=4 233 B12R1.460 CCCNC(=O)c1sccc1C WXVL_AK00504SC0052 [0,2,0,0,0,0|1,0,1]=4 234 B12R1.460 CCCNC(=O)c1sccc1C WXVL_AK00504SC0052 [0,2,0,0,0,0|1,0,1]=4 235 B12R1.460 CCCNC(=O)c1sccc1Cl WXVL_AK00504SC0756 [0,2,0,0,0,0|1,0,1]=4 236 B12R1.460 CCCNC(=O)c1sccc1Cl WXVL_AK00504SC0756 [0,2,0,0,0,0|1,0,1]=4 237 B12R1.460 CCCNC(=O)c1sccc1F WXVL_AK00504SC0017 [0,2,0,0,0,0|1,0,1]=4 238 B12R1.460 CCCNC(=O)c1sccc1F WXVL_AK00504SC0017 [0,2,0,0,0,0|1,0,1]=4 239 B12R1.460 CCCNC(=O)c1sccc1I WXVL_AK00504SC1579 [0,2,0,0,0,0|1,0,1]=4 240 B12R1.460 CCCNC(=O)c1sccc1I WXVL_AK00504SC1579 [0,2,0,0,0,0|1,0,1]=4 241 B12R1.260 CC(C)NC(=O)Cc1cccs1 WXVL_AK0030SA0018 [0,2,0,0,0,0|1,0,1]=4 242 B12R1.260 CC(C)NC(=O)Cc1cccs1 WXVL_AK0030SA0018 [0,2,0,0,0,0|1,0,1]=4 243 B12R2.2 c1cc(ncn1)N2CCCC2 WXVL_AN0008LP3358 [0,0,0,1,0,1|2,0,0]=4 244 B12R2.2 c1cc(ncn1)N2CCCC2 WXVL_AN0008LP3358 [0,0,0,1,0,1|2,0,0]=4 245 B12R2.2 c1cnc(nc1)N2CCCC2 WXVL_AN0008LP0002 [0,0,0,1,0,1|2,0,0]=4 246 B12R2.2 c1cnc(nc1)N2CCCC2 WXVL_AN0008LP0002 [0,0,0,1,0,1|2,0,0]=4 247 B12R2.10 Cc1ccsc1C2=CCCC2 WXVL_LR0502BT0967 [0,1,0,1,0,0|0,0,2]=4 248 B12R2.10 Clc1ccsc1C2=CCCC2 WXVL_LR0754BT0967 [0,1,0,1,0,0|0,0,2]=4 249 B12R2.6 Cc1ccc(s1)C2=CCCC2 WXVL_LR0501BT0967 [0,1,0,1,0,0|0,0,2]=4 250 B12R2.6 Clc1ccc(s1)C2=CCCC2 WXVL_LR0493BT0967 [0,1,0,1,0,0|0,0,2]=4 251 B12R2.2074 O=C(NC1CC1)c2cccs2 WXVL_AK0001SC0051 [0,1,0,1,0,0|1,0,1]=4 252 B12R2.2074 O=C(NC1CC1)c2cccs2 WXVL_AK0001SC0051 [0,1,0,1,0,0|1,0,1]=4