0 B9R1.6 CN(C)c1ccncn1 WXVL_AN0032LP3358 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 CN(C)c1ccncn1 WXVL_AN0032LP3358 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 CN(C)c1ncccn1 WXVL_AN0032LP0002 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 CN(C)c1ncccn1 WXVL_AN0032LP0002 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 NC(=O)c1ccccn1 WXVL_AK0084SC0058 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 NC(=O)c1ccccn1 WXVL_AK0084SC0058 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.6 NC(=O)c1cccnc1 WXVL_AK0084SC0061 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.6 NC(=O)c1cccnc1 WXVL_AK0084SC0061 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.2 CNc1ccncn1 WXVL_AK00442LP3358 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.2 CNc1ccncn1 WXVL_AK00442LP3358 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.2 CNc1ncccn1 WXVL_AK00442LP0002 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.2 CNc1ncccn1 WXVL_AK00442LP0002 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.13 CN(C)c1ncc(cn1)Br WXVL_AN0032LQ1546 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.13 CN(C)c1ncc(cn1)Br WXVL_AN0032LQ1546 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.13 CN(C)c1ncc(cn1)F WXVL_AN0032LP0017 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.13 CN(C)c1ncc(cn1)F WXVL_AN0032LP0017 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.13 CN(C)c1ncc(cn1)I WXVL_AN0032LP3340 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.13 CN(C)c1ncc(cn1)I WXVL_AN0032LP3340 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.13 Cc1cnc(cn1)C(=O)N WXVL_AK0084SC0072 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.13 Cc1cnc(cn1)C(=O)N WXVL_AK0084SC0072 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.13 Cc1cnc(nc1)N(C)C WXVL_AN0032LP0025 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.13 Cc1cnc(nc1)N(C)C WXVL_AN0032LP0025 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.13 NC(=O)c1cnc(cn1)Cl WXVL_AK0084SC0383 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.13 NC(=O)c1cnc(cn1)Cl WXVL_AK0084SC0383 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.15 CNC(=O)c1ccccn1 WXVL_AK00442SC0058 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.15 CNC(=O)c1ccccn1 WXVL_AK00442SC0058 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.15 CNC(=O)c1cccnc1 WXVL_AK00442SC0061 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.15 CNC(=O)c1cccnc1 WXVL_AK00442SC0061 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.61 CN(C)c1ncncc1Br WXVL_AN0032LQ2111 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.61 CN(C)c1ncncc1Br WXVL_AN0032LQ2111 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.61 CN(C)c1ncncc1F WXVL_AN0032LP0435 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.61 CN(C)c1ncncc1F WXVL_AN0032LP0435 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.61 CN(C)c1ncncc1I WXVL_AN0032LP3348 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.61 CN(C)c1ncncc1I WXVL_AN0032LP3348 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.61 Cc1cncnc1N(C)C WXVL_AN0032LP0053 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.61 Cc1cncnc1N(C)C WXVL_AN0032LP0053 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.61 NC(=O)c1nccnc1Br WXVL_AK0084SC0785 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.61 NC(=O)c1nccnc1Br WXVL_AK0084SC0785 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.61 NC(=O)c1nccnc1Cl WXVL_AK0084SC0361 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.61 NC(=O)c1nccnc1Cl WXVL_AK0084SC0361 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.113 CN(C)c1ccnc(n1)Br WXVL_AN0032LQ4646 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.113 CN(C)c1ccnc(n1)Br WXVL_AN0032LQ4646 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.113 CN(C)c1nccc(n1)Br WXVL_AN0032LQ3192 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.113 CN(C)c1nccc(n1)Br WXVL_AN0032LQ3192 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.113 Cc1cc(ncn1)N(C)C WXVL_AN0032LP0109 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.113 Cc1cc(ncn1)N(C)C WXVL_AN0032LP0109 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.113 Cc1ccnc(n1)N(C)C WXVL_AN0032LP0007 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.113 Cc1ccnc(n1)N(C)C WXVL_AN0032LP0007 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.113 Cc1cncc(n1)C(=O)N WXVL_AK0084SC0391 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.113 Cc1cncc(n1)C(=O)N WXVL_AK0084SC0391 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.113 Cc1nccc(n1)N(C)C WXVL_AN0032LP0556 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.113 Cc1nccc(n1)N(C)C WXVL_AN0032LP0556 [0,1,0,0,0,0|3,0,0]=4 52 B8R0.8 C=CCNC(=O)C(C)C WXVL_AK00561SB0052 [0,0,1,0,0,0|3,0,0]=4 53 B8R0.8 C=CCNC(=O)C(C)C WXVL_AK00561SB0052 [0,0,1,0,0,0|3,0,0]=4 54 B10R1.18 CC(=O)Nc1ccccn1 WXVL_AF00298SB0150 [0,0,0,0,0,1|2,0,1]=4 55 B10R1.18 CC(=O)Nc1ccccn1 WXVL_AF00298SB0150 [0,0,0,0,0,1|2,0,1]=4 56 B10R1.18 CC(=O)Nc1cnccn1 WXVL_AF0120SB0150 [0,0,0,0,0,1|1,0,1]=3 57 B10R1.18 CC(=O)Nc1cnccn1 WXVL_AF0120SB0150 [0,0,0,0,0,1|1,0,1]=3 58 B10R1.18 CC(C)Nc1ccncn1 WXVL_AK0030LP3358 [0,0,0,0,0,1|2,0,0]=3 59 B10R1.18 CC(C)Nc1ccncn1 WXVL_AK0030LP3358 [0,0,0,0,0,1|2,0,0]=3 60 B10R1.18 CC(C)Nc1ncccn1 WXVL_AK0030LP0002 [0,0,0,0,0,1|2,0,0]=3 61 B10R1.18 CC(C)Nc1ncccn1 WXVL_AK0030LP0002 [0,0,0,0,0,1|2,0,0]=3 62 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.20 CC(=O)Nc1cnc(cn1)Br WXVL_AF1109SB0150 [0,1,0,0,0,1|1,0,1]=4 67 B11R1.20 CC(=O)Nc1cnc(cn1)Br WXVL_AF1109SB0150 [0,1,0,0,0,1|1,0,1]=4 68 B11R1.20 CC(=O)Nc1cnc(cn1)C WXVL_AF0099SB0150 [0,1,0,0,0,1|1,0,1]=4 69 B11R1.20 CC(=O)Nc1cnc(cn1)C WXVL_AF0099SB0150 [0,1,0,0,0,1|1,0,1]=4 70 B11R1.20 CC(=O)Nc1cnc(cn1)Cl WXVL_AF0338SB0150 [0,1,0,0,0,1|1,0,1]=4 71 B11R1.20 CC(=O)Nc1cnc(cn1)Cl WXVL_AF0338SB0150 [0,1,0,0,0,1|1,0,1]=4 72 B11R1.20 CC(=O)Nc1cnc(cn1)I WXVL_AF0666SB0150 [0,1,0,0,0,1|1,0,1]=4 73 B11R1.20 CC(=O)Nc1cnc(cn1)I WXVL_AF0666SB0150 [0,1,0,0,0,1|1,0,1]=4 74 B11R1.20 CC(C)Nc1ncc(cn1)Br WXVL_AK0030LQ1546 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.20 CC(C)Nc1ncc(cn1)Br WXVL_AK0030LQ1546 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.20 CC(C)Nc1ncc(cn1)F WXVL_AK0030LP0017 [0,1,0,0,0,1|2,0,0]=4 77 B11R1.20 CC(C)Nc1ncc(cn1)F WXVL_AK0030LP0017 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.20 CC(C)Nc1ncc(cn1)I WXVL_AK0030LP3340 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.20 CC(C)Nc1ncc(cn1)I WXVL_AK0030LP3340 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.20 Cc1cnc(nc1)NC(C)C WXVL_AK0030LP0025 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.20 Cc1cnc(nc1)NC(C)C WXVL_AK0030LP0025 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.36 CC(C)N(C)c1ccncn1 WXVL_AN0073LP3358 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.36 CC(C)N(C)c1ccncn1 WXVL_AN0073LP3358 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.36 CC(C)N(C)c1ncccn1 WXVL_AN0073LP0002 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.36 CC(C)N(C)c1ncccn1 WXVL_AN0073LP0002 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.36 CN(C)C(=O)c1ccccn1 WXVL_AN0032SC0058 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.36 CN(C)C(=O)c1ccccn1 WXVL_AN0032SC0058 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.36 CN(C)C(=O)c1cccnc1 WXVL_AN0032SC0061 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.36 CN(C)C(=O)c1cccnc1 WXVL_AN0032SC0061 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.40 CCC(=O)Nc1cnccn1 WXVL_AF0120SB0064 [0,1,0,0,0,1|1,0,1]=4 91 B11R1.40 CCC(=O)Nc1cnccn1 WXVL_AF0120SB0064 [0,1,0,0,0,1|1,0,1]=4 92 B11R1.40 CC[C@H](C)Nc1ccncn1 WXVL_AK00678LP3358 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.40 CC[C@H](C)Nc1ccncn1 WXVL_AK00678LP3358 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.40 CC[C@H](C)Nc1ncccn1 WXVL_AK00678LP0002 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.40 CC[C@H](C)Nc1ncccn1 WXVL_AK00678LP0002 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.40 C[C@@H](CF)Nc1ccncn1 WXVL_AK00558LP3358 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.40 C[C@@H](CF)Nc1ccncn1 WXVL_AK00558LP3358 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.40 C[C@@H](CF)Nc1ncccn1 WXVL_AK00558LP0002 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.40 C[C@@H](CF)Nc1ncccn1 WXVL_AK00558LP0002 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.40 C[C@@H](CO)Nc1ccncn1 WXVL_AK0109LP3358 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.40 C[C@@H](CO)Nc1ccncn1 WXVL_AK0109LP3358 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.40 C[C@@H](CO)Nc1ncccn1 WXVL_AK0109LP0002 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.40 C[C@@H](CO)Nc1ncccn1 WXVL_AK0109LP0002 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.40 O=C(CO)Nc1cnccn1 WXVL_AF0120SB2706 [0,1,0,0,0,1|1,0,1]=4 105 B11R1.40 O=C(CO)Nc1cnccn1 WXVL_AF0120SB2706 [0,1,0,0,0,1|1,0,1]=4 106 B11R1.86 CC(=O)Nc1nccnc1Br WXVL_AF0708SB0150 [0,1,0,0,0,1|1,0,1]=4 107 B11R1.86 CC(=O)Nc1nccnc1Br WXVL_AF0708SB0150 [0,1,0,0,0,1|1,0,1]=4 108 B11R1.86 CC(=O)Nc1nccnc1C WXVL_AF0295SB0150 [0,1,0,0,0,1|1,0,1]=4 109 B11R1.86 CC(=O)Nc1nccnc1C WXVL_AF0295SB0150 [0,1,0,0,0,1|1,0,1]=4 110 B11R1.86 CC(=O)Nc1nccnc1Cl WXVL_AF0102SB0150 [0,1,0,0,0,1|1,0,1]=4 111 B11R1.86 CC(=O)Nc1nccnc1Cl WXVL_AF0102SB0150 [0,1,0,0,0,1|1,0,1]=4 112 B11R1.86 CC(C)Nc1ncncc1Br WXVL_AK0030LQ2111 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.86 CC(C)Nc1ncncc1Br WXVL_AK0030LQ2111 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.86 CC(C)Nc1ncncc1F WXVL_AK0030LP0435 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.86 CC(C)Nc1ncncc1F WXVL_AK0030LP0435 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.86 CC(C)Nc1ncncc1I WXVL_AK0030LP3348 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.86 CC(C)Nc1ncncc1I WXVL_AK0030LP3348 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.86 Cc1cncnc1NC(C)C WXVL_AK0030LP0053 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.86 Cc1cncnc1NC(C)C WXVL_AK0030LP0053 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.157 CC(=O)Nc1cncc(n1)Br WXVL_AF0737SB0150 [0,1,0,0,0,1|1,0,1]=4 121 B11R1.157 CC(=O)Nc1cncc(n1)Br WXVL_AF0737SB0150 [0,1,0,0,0,1|1,0,1]=4 122 B11R1.157 CC(=O)Nc1cncc(n1)C WXVL_AF0077SB0150 [0,1,0,0,0,1|1,0,1]=4 123 B11R1.157 CC(=O)Nc1cncc(n1)C WXVL_AF0077SB0150 [0,1,0,0,0,1|1,0,1]=4 124 B11R1.157 CC(=O)Nc1cncc(n1)Cl WXVL_AF0366SB0150 [0,1,0,0,0,1|1,0,1]=4 125 B11R1.157 CC(=O)Nc1cncc(n1)Cl WXVL_AF0366SB0150 [0,1,0,0,0,1|1,0,1]=4 126 B11R1.157 CC(C)Nc1ccnc(n1)Br WXVL_AK0030LQ4646 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.157 CC(C)Nc1ccnc(n1)Br WXVL_AK0030LQ4646 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.157 CC(C)Nc1nccc(n1)Br WXVL_AK0030LQ3192 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.157 CC(C)Nc1nccc(n1)Br WXVL_AK0030LQ3192 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.157 Cc1cc(ncn1)NC(C)C WXVL_AK0030LP0109 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.157 Cc1cc(ncn1)NC(C)C WXVL_AK0030LP0109 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.157 Cc1ccnc(n1)NC(C)C WXVL_AK0030LP0007 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.157 Cc1ccnc(n1)NC(C)C WXVL_AK0030LP0007 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.157 Cc1nccc(n1)NC(C)C WXVL_AK0030LP0556 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.157 Cc1nccc(n1)NC(C)C WXVL_AK0030LP0556 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.509 CC(C)(C)Nc1ccncn1 WXVL_AK0024LP3358 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.509 CC(C)(C)Nc1ccncn1 WXVL_AK0024LP3358 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.509 CC(C)(C)Nc1ncccn1 WXVL_AK0024LP0002 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.509 CC(C)(C)Nc1ncccn1 WXVL_AK0024LP0002 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.22 CNC(=O)c1cnc(cn1)C WXVL_AK00442SC0072 [0,2,0,0,0,0|1,0,1]=4 141 B11R1.22 CNC(=O)c1cnc(cn1)C WXVL_AK00442SC0072 [0,2,0,0,0,0|1,0,1]=4 142 B11R1.22 CNC(=O)c1cnc(cn1)Cl WXVL_AK00442SC0383 [0,2,0,0,0,0|1,0,1]=4 143 B11R1.22 CNC(=O)c1cnc(cn1)Cl WXVL_AK00442SC0383 [0,2,0,0,0,0|1,0,1]=4 144 B11R1.23 CNC(=O)c1cncc(n1)C WXVL_AK00442SC0391 [0,2,0,0,0,0|1,0,1]=4 145 B11R1.23 CNC(=O)c1cncc(n1)C WXVL_AK00442SC0391 [0,2,0,0,0,0|1,0,1]=4 146 B11R1.222 CNC(=O)c1nccnc1Br WXVL_AK00442SC0785 [0,2,0,0,0,0|1,0,1]=4 147 B11R1.222 CNC(=O)c1nccnc1Br WXVL_AK00442SC0785 [0,2,0,0,0,0|1,0,1]=4 148 B11R1.222 CNC(=O)c1nccnc1Cl WXVL_AK00442SC0361 [0,2,0,0,0,0|1,0,1]=4 149 B11R1.222 CNC(=O)c1nccnc1Cl WXVL_AK00442SC0361 [0,2,0,0,0,0|1,0,1]=4 150 B11R1.266 CNc1nccc(n1)C(C)C WXVL_AK00442LP1771 [0,2,0,0,0,0|2,0,0]=4 151 B11R1.266 CNc1nccc(n1)C(C)C WXVL_AK00442LP1771 [0,2,0,0,0,0|2,0,0]=4 152 B11R2.238 c1cc(ncn1)NC2CC2 WXVL_AK0001LP3358 [0,0,0,1,0,1|2,0,0]=4 153 B11R2.238 c1cc(ncn1)NC2CC2 WXVL_AK0001LP3358 [0,0,0,1,0,1|2,0,0]=4 154 B11R2.238 c1cnc(nc1)NC2CC2 WXVL_AK0001LP0002 [0,0,0,1,0,1|2,0,0]=4 155 B11R2.238 c1cnc(nc1)NC2CC2 WXVL_AK0001LP0002 [0,0,0,1,0,1|2,0,0]=4 156 B11R1.91 CC(=O)NCc1cnccn1 WXVL_AK00262SB0150 [0,0,0,0,0,2|1,0,1]=4 157 B11R1.91 CC(=O)NCc1cnccn1 WXVL_AK00262SB0150 [0,0,0,0,0,2|1,0,1]=4 158 B11R1.91 CC(C)CNc1ccncn1 WXVL_AK00544LP3358 [0,0,0,0,0,2|2,0,0]=4 159 B11R1.91 CC(C)CNc1ccncn1 WXVL_AK00544LP3358 [0,0,0,0,0,2|2,0,0]=4 160 B11R1.91 CC(C)CNc1ncccn1 WXVL_AK00544LP0002 [0,0,0,0,0,2|2,0,0]=4 161 B11R1.91 CC(C)CNc1ncccn1 WXVL_AK00544LP0002 [0,0,0,0,0,2|2,0,0]=4