0 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [0,1,0,0,0,0|1,0,1]=3 1 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [0,1,0,0,0,0|1,0,1]=3 2 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [0,1,0,0,0,0|1,1,1]=4 3 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [0,1,0,0,0,0|1,1,1]=4 4 B10R1.11 CCNC(=O)c1ccno1 WXVL_AK00476SC0080 [0,1,0,0,0,0|2,0,1]=4 5 B10R1.11 CCNC(=O)c1ccno1 WXVL_AK00476SC0080 [0,1,0,0,0,0|2,0,1]=4 6 B10R1.11 CCNC(=O)c1cnco1 WXVL_AK00476SC0018 [0,1,0,0,0,0|2,0,1]=4 7 B10R1.11 CCNC(=O)c1cnco1 WXVL_AK00476SC0018 [0,1,0,0,0,0|2,0,1]=4 8 B10R1.27 CCC(=O)Nc1ccno1 WXVL_AF0588SB0064 [0,1,0,0,0,0|2,0,1]=4 9 B10R1.27 CCC(=O)Nc1ccno1 WXVL_AF0588SB0064 [0,1,0,0,0,0|2,0,1]=4 10 B10R1.27 CCC(=O)Nc1ncco1 WXVL_AF0235SB0064 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.27 CCC(=O)Nc1ncco1 WXVL_AF0235SB0064 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.27 CNC(=O)Cc1cccs1 WXVL_AK00442SA0018 [0,1,0,0,0,0|1,1,1]=4 13 B10R1.27 CNC(=O)Cc1cccs1 WXVL_AK00442SA0018 [0,1,0,0,0,0|1,1,1]=4 14 B10R1.66 CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0150 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.66 CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0150 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.66 CC(=O)NCc1ccco1 WXVL_AK0010SB0150 [0,1,0,0,0,0|1,0,1]=3 17 B10R1.66 CC(=O)NCc1ccco1 WXVL_AK0010SB0150 [0,1,0,0,0,0|1,0,1]=3 18 B10R1.66 CC(=O)NCc1cccs1 WXVL_AK0014SB0150 [0,1,0,0,0,0|1,1,1]=4 19 B10R1.66 CC(=O)NCc1cccs1 WXVL_AK0014SB0150 [0,1,0,0,0,0|1,1,1]=4 20 B10R1.66 CC(=O)NCc1cnco1 WXVL_AK1437SB0150 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.66 CC(=O)NCc1cnco1 WXVL_AK1437SB0150 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.66 NC(=O)CCc1ccc[nH]1 WXVL_AK0084SA0009 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.66 NC(=O)CCc1ccc[nH]1 WXVL_AK0084SA0009 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.66 NC(=O)CCc1ccco1 WXVL_AK0084SA0167 [0,1,0,0,0,0|1,0,1]=3 25 B10R1.66 NC(=O)CCc1ccco1 WXVL_AK0084SA0167 [0,1,0,0,0,0|1,0,1]=3 26 B10R1.66 NC(=O)CCc1cccs1 WXVL_AK0084SA0303 [0,1,0,0,0,0|1,1,1]=4 27 B10R1.66 NC(=O)CCc1cccs1 WXVL_AK0084SA0303 [0,1,0,0,0,0|1,1,1]=4 28 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,0,1,0,0,0|1,0,2]=4 29 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,0,1,0,0,0|1,0,2]=4 30 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,0,1,0,0,0|1,0,2]=4 31 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,0,1,0,0,0|1,0,2]=4 32 B10R1.17 CCCNc1ccncn1 WXVL_AK00504LP3358 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.17 CCCNc1ccncn1 WXVL_AK00504LP3358 [0,0,0,0,0,1|2,0,0]=3 34 B10R1.17 CCCNc1ncccn1 WXVL_AK00504LP0002 [0,0,0,0,0,1|2,0,0]=3 35 B10R1.17 CCCNc1ncccn1 WXVL_AK00504LP0002 [0,0,0,0,0,1|2,0,0]=3 36 B10R1.17 FCCNc1ccncn1 WXVL_AK00466LP3358 [0,0,0,0,0,1|3,0,0]=4 37 B10R1.17 FCCNc1ccncn1 WXVL_AK00466LP3358 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.17 FCCNc1ncccn1 WXVL_AK00466LP0002 [0,0,0,0,0,1|3,0,0]=4 39 B10R1.17 FCCNc1ncccn1 WXVL_AK00466LP0002 [0,0,0,0,0,1|3,0,0]=4 40 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,1,1,0,0,0|0,0,2]=4 41 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,1,1,0,0,0|0,0,2]=4 42 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [0,1,1,0,0,0|0,0,2]=4 43 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [0,1,1,0,0,0|0,0,2]=4 44 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [0,1,1,0,0,0|0,0,2]=4 45 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [0,1,1,0,0,0|0,0,2]=4 46 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [1,1,0,0,0,0|1,0,1]=4 47 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.1 CCCNc1ncc(cn1)Br WXVL_AK00504LQ1546 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.1 CCCNc1ncc(cn1)Br WXVL_AK00504LQ1546 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.1 CCCNc1ncc(cn1)C WXVL_AK00504LP0025 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.1 CCCNc1ncc(cn1)C WXVL_AK00504LP0025 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.1 CCCNc1ncc(cn1)F WXVL_AK00504LP0017 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.1 CCCNc1ncc(cn1)F WXVL_AK00504LP0017 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.1 CCCNc1ncc(cn1)I WXVL_AK00504LP3340 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.1 CCCNc1ncc(cn1)I WXVL_AK00504LP3340 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.17 CCCNc1ncncc1Br WXVL_AK00504LQ2111 [0,1,0,0,0,1|2,0,0]=4 57 B11R1.17 CCCNc1ncncc1Br WXVL_AK00504LQ2111 [0,1,0,0,0,1|2,0,0]=4 58 B11R1.17 CCCNc1ncncc1C WXVL_AK00504LP0053 [0,1,0,0,0,1|2,0,0]=4 59 B11R1.17 CCCNc1ncncc1C WXVL_AK00504LP0053 [0,1,0,0,0,1|2,0,0]=4 60 B11R1.17 CCCNc1ncncc1F WXVL_AK00504LP0435 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.17 CCCNc1ncncc1F WXVL_AK00504LP0435 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.17 CCCNc1ncncc1I WXVL_AK00504LP3348 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.17 CCCNc1ncncc1I WXVL_AK00504LP3348 [0,1,0,0,0,1|2,0,0]=4 64 B11R1.24 CCCNc1cc(ncn1)C WXVL_AK00504LP0109 [0,1,0,0,0,1|2,0,0]=4 65 B11R1.24 CCCNc1cc(ncn1)C WXVL_AK00504LP0109 [0,1,0,0,0,1|2,0,0]=4 66 B11R1.24 CCCNc1ccnc(n1)Br WXVL_AK00504LQ4646 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.24 CCCNc1ccnc(n1)Br WXVL_AK00504LQ4646 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.24 CCCNc1ccnc(n1)C WXVL_AK00504LP0556 [0,1,0,0,0,1|2,0,0]=4 69 B11R1.24 CCCNc1ccnc(n1)C WXVL_AK00504LP0556 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.24 CCCNc1nccc(n1)Br WXVL_AK00504LQ3192 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.24 CCCNc1nccc(n1)Br WXVL_AK00504LQ3192 [0,1,0,0,0,1|2,0,0]=4 72 B11R1.24 CCCNc1nccc(n1)C WXVL_AK00504LP0007 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.24 CCCNc1nccc(n1)C WXVL_AK00504LP0007 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.28 CCCCNc1ccncn1 WXVL_AK00588LP3358 [0,1,0,0,0,1|1,0,0]=3 75 B11R1.28 CCCCNc1ccncn1 WXVL_AK00588LP3358 [0,1,0,0,0,1|1,0,0]=3 76 B11R1.28 CCCCNc1ncccn1 WXVL_AK00588LP0002 [0,1,0,0,0,1|1,0,0]=3 77 B11R1.28 CCCCNc1ncccn1 WXVL_AK00588LP0002 [0,1,0,0,0,1|1,0,0]=3 78 B11R1.28 CSCCNc1ccncn1 WXVL_AK00440LP3358 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.28 CSCCNc1ccncn1 WXVL_AK00440LP3358 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.28 CSCCNc1ncccn1 WXVL_AK00440LP0002 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.28 CSCCNc1ncccn1 WXVL_AK00440LP0002 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.28 OCCCNc1ccncn1 WXVL_AK0073LP3358 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.28 OCCCNc1ccncn1 WXVL_AK0073LP3358 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.28 OCCCNc1ncccn1 WXVL_AK0073LP0002 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.28 OCCCNc1ncccn1 WXVL_AK0073LP0002 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.40 CC[C@H](C)Nc1ccncn1 WXVL_AK00678LP3358 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.40 CC[C@H](C)Nc1ccncn1 WXVL_AK00678LP3358 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.40 CC[C@H](C)Nc1ncccn1 WXVL_AK00678LP0002 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.40 CC[C@H](C)Nc1ncccn1 WXVL_AK00678LP0002 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.91 CC(C)CNc1ccncn1 WXVL_AK00544LP3358 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.91 CC(C)CNc1ccncn1 WXVL_AK00544LP3358 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.91 CC(C)CNc1ncccn1 WXVL_AK00544LP0002 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.91 CC(C)CNc1ncccn1 WXVL_AK00544LP0002 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.91 CC(O)CNc1ccncn1 WXVL_AK0052LP3358 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.91 CC(O)CNc1ccncn1 WXVL_AK0052LP3358 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.91 CC(O)CNc1ncccn1 WXVL_AK0052LP0002 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.91 CC(O)CNc1ncccn1 WXVL_AK0052LP0002 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.91 C[C@H](O)CNc1ccncn1 WXVL_AK0113LP3358 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.91 C[C@H](O)CNc1ccncn1 WXVL_AK0113LP3358 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.91 C[C@H](O)CNc1ncccn1 WXVL_AK0113LP0002 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.91 C[C@H](O)CNc1ncccn1 WXVL_AK0113LP0002 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.15 CCNC(=O)c1ccc(o1)C WXVL_AK00476SC0005 [0,2,0,0,0,0|1,0,1]=4 103 B11R1.15 CCNC(=O)c1ccc(o1)C WXVL_AK00476SC0005 [0,2,0,0,0,0|1,0,1]=4 104 B11R1.15 CCNC(=O)c1ccc(o1)Cl WXVL_AK00476SC0926 [0,2,0,0,0,0|1,0,1]=4 105 B11R1.15 CCNC(=O)c1ccc(o1)Cl WXVL_AK00476SC0926 [0,2,0,0,0,0|1,0,1]=4 106 B11R1.29 CCCNC(=O)c1ccco1 WXVL_AK00504SC0049 [0,2,0,0,0,0|0,0,1]=3 107 B11R1.29 CCCNC(=O)c1ccco1 WXVL_AK00504SC0049 [0,2,0,0,0,0|0,0,1]=3 108 B11R1.29 CCCNC(=O)c1cccs1 WXVL_AK00504SC0051 [0,2,0,0,0,0|0,1,1]=4 109 B11R1.29 CCCNC(=O)c1cccs1 WXVL_AK00504SC0051 [0,2,0,0,0,0|0,1,1]=4 110 B11R1.29 CCCNC(=O)c1ccno1 WXVL_AK00504SC0080 [0,2,0,0,0,0|1,0,1]=4 111 B11R1.29 CCCNC(=O)c1ccno1 WXVL_AK00504SC0080 [0,2,0,0,0,0|1,0,1]=4 112 B11R1.29 CCCNC(=O)c1cnco1 WXVL_AK00504SC0018 [0,2,0,0,0,0|1,0,1]=4 113 B11R1.29 CCCNC(=O)c1cnco1 WXVL_AK00504SC0018 [0,2,0,0,0,0|1,0,1]=4 114 B11R1.29 O=C(NCCF)c1ccco1 WXVL_AK00466SC0049 [0,2,0,0,0,0|1,0,1]=4 115 B11R1.29 O=C(NCCF)c1ccco1 WXVL_AK00466SC0049 [0,2,0,0,0,0|1,0,1]=4 116 B11R1.77 CC(C)NC(=O)c1ccco1 WXVL_AK0030SC0049 [0,2,0,0,0,0|1,0,1]=4 117 B11R1.77 CC(C)NC(=O)c1ccco1 WXVL_AK0030SC0049 [0,2,0,0,0,0|1,0,1]=4 118 B11R1.199 CCNC(=O)c1occc1Br WXVL_AK00476SC0241 [0,2,0,0,0,0|1,0,1]=4 119 B11R1.199 CCNC(=O)c1occc1Br WXVL_AK00476SC0241 [0,2,0,0,0,0|1,0,1]=4 120 B11R1.199 CCNC(=O)c1occc1C WXVL_AK00476SC0230 [0,2,0,0,0,0|1,0,1]=4 121 B11R1.199 CCNC(=O)c1occc1C WXVL_AK00476SC0230 [0,2,0,0,0,0|1,0,1]=4 122 B11R1.25 CCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0064 [0,2,0,0,0,0|1,0,1]=4 123 B11R1.25 CCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0064 [0,2,0,0,0,0|1,0,1]=4 124 B11R1.25 CCC(=O)NCc1ccco1 WXVL_AK0010SB0064 [0,2,0,0,0,0|0,0,1]=3 125 B11R1.25 CCC(=O)NCc1ccco1 WXVL_AK0010SB0064 [0,2,0,0,0,0|0,0,1]=3 126 B11R1.25 CCC(=O)NCc1cccs1 WXVL_AK0014SB0064 [0,2,0,0,0,0|0,1,1]=4 127 B11R1.25 CCC(=O)NCc1cccs1 WXVL_AK0014SB0064 [0,2,0,0,0,0|0,1,1]=4 128 B11R1.25 CCC(=O)NCc1cnco1 WXVL_AK1437SB0064 [0,2,0,0,0,0|1,0,1]=4 129 B11R1.25 CCC(=O)NCc1cnco1 WXVL_AK1437SB0064 [0,2,0,0,0,0|1,0,1]=4 130 B11R1.25 CNC(=O)CCc1ccc[nH]1 WXVL_AK00442SA0009 [0,2,0,0,0,0|1,0,1]=4 131 B11R1.25 CNC(=O)CCc1ccc[nH]1 WXVL_AK00442SA0009 [0,2,0,0,0,0|1,0,1]=4 132 B11R1.25 CNC(=O)CCc1ccco1 WXVL_AK00442SA0167 [0,2,0,0,0,0|0,0,1]=3 133 B11R1.25 CNC(=O)CCc1ccco1 WXVL_AK00442SA0167 [0,2,0,0,0,0|0,0,1]=3 134 B11R1.25 CNC(=O)CCc1cccs1 WXVL_AK00442SA0303 [0,2,0,0,0,0|0,1,1]=4 135 B11R1.25 CNC(=O)CCc1cccs1 WXVL_AK00442SA0303 [0,2,0,0,0,0|0,1,1]=4 136 B11R1.25 O=C(CO)NCc1ccco1 WXVL_AK0010SB2706 [0,2,0,0,0,0|1,0,1]=4 137 B11R1.25 O=C(CO)NCc1ccco1 WXVL_AK0010SB2706 [0,2,0,0,0,0|1,0,1]=4 138 B11R1.30 CCCC(=O)Nc1ccno1 WXVL_AF0588SB0073 [0,2,0,0,0,0|1,0,1]=4 139 B11R1.30 CCCC(=O)Nc1ccno1 WXVL_AF0588SB0073 [0,2,0,0,0,0|1,0,1]=4 140 B11R1.30 CCCC(=O)Nc1ncco1 WXVL_AF0235SB0073 [0,2,0,0,0,0|1,0,1]=4 141 B11R1.30 CCCC(=O)Nc1ncco1 WXVL_AF0235SB0073 [0,2,0,0,0,0|1,0,1]=4 142 B11R1.30 CCNC(=O)Cc1cccs1 WXVL_AK00476SA0018 [0,2,0,0,0,0|0,1,1]=4 143 B11R1.30 CCNC(=O)Cc1cccs1 WXVL_AK00476SA0018 [0,2,0,0,0,0|0,1,1]=4 144 B11R1.172 CC(=O)NCCc1ccco1 WXVL_AK0989SB0150 [0,2,0,0,0,0|0,0,1]=3 145 B11R1.172 CC(=O)NCCc1ccco1 WXVL_AK0989SB0150 [0,2,0,0,0,0|0,0,1]=3 146 B11R1.172 CC(=O)NCCc1cccs1 WXVL_AK0098SB0150 [0,2,0,0,0,0|0,1,1]=4 147 B11R1.172 CC(=O)NCCc1cccs1 WXVL_AK0098SB0150 [0,2,0,0,0,0|0,1,1]=4 148 B11R1.35 CC(Cc1ccco1)C(=O)N WXVL_AK0084SA2637 [0,2,0,0,0,0|1,0,1]=4 149 B11R1.35 CC(Cc1ccco1)C(=O)N WXVL_AK0084SA2637 [0,2,0,0,0,0|1,0,1]=4 150 B11R2.238 c1cc(ncn1)NC2CC2 WXVL_AK0001LP3358 [0,0,0,1,0,1|2,0,0]=4 151 B11R2.238 c1cc(ncn1)NC2CC2 WXVL_AK0001LP3358 [0,0,0,1,0,1|2,0,0]=4 152 B11R2.238 c1cnc(nc1)NC2CC2 WXVL_AK0001LP0002 [0,0,0,1,0,1|2,0,0]=4 153 B11R2.238 c1cnc(nc1)NC2CC2 WXVL_AK0001LP0002 [0,0,0,1,0,1|2,0,0]=4 154 B11R2.2 C1=C(CCC1)c2cccs2 WXVL_LR0498BT0967 [0,1,0,1,0,0|0,1,1]=4