0 B11R1.509 CC(C)(C)Nc1ccncn1 WXVL_AK0024LP3358 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.509 CC(C)(C)Nc1ccncn1 WXVL_AK0024LP3358 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.509 CC(C)(C)Nc1ncccn1 WXVL_AK0024LP0002 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.509 CC(C)(C)Nc1ncccn1 WXVL_AK0024LP0002 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.509 NS(=O)(=O)Cc1ccccc1 WXVL_AK0084HU0025 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.509 NS(=O)(=O)Cc1ccccc1 WXVL_AK0084HU0025 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [1,0,0,0,0,0|1,0,2]=4 8 B10R1.18 CC(C)Nc1ccncn1 WXVL_AK0030LP3358 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.18 CC(C)Nc1ccncn1 WXVL_AK0030LP3358 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.18 CC(C)Nc1ncccn1 WXVL_AK0030LP0002 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.18 CC(C)Nc1ncccn1 WXVL_AK0030LP0002 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [1,0,0,0,0,0|1,0,2]=4 14 B12R1.194 CC(C)(CO)Nc1ccncn1 WXVL_AK0025LP3358 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.194 CC(C)(CO)Nc1ccncn1 WXVL_AK0025LP3358 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.194 CC(C)(CO)Nc1ncccn1 WXVL_AK0025LP0002 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.194 CC(C)(CO)Nc1ncccn1 WXVL_AK0025LP0002 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.194 CNS(=O)(=O)Cc1ccccc1 WXVL_AK00442HU0025 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.194 CNS(=O)(=O)Cc1ccccc1 WXVL_AK00442HU0025 [0,1,0,0,0,0|2,0,1]=4 20 B10R0.28 C=CCNC(=O)CC(C)(C)O WXVL_AK00561SB0163 [0,0,1,0,0,0|2,0,1]=4 21 B10R0.28 C=CCNC(=O)CC(C)(C)O WXVL_AK00561SB0163 [0,0,1,0,0,0|2,0,1]=4 22 B12R1.891 CC(C)(C)CNc1ccncn1 WXVL_AK00655LP3358 [0,0,0,0,0,1|3,0,0]=4 23 B12R1.891 CC(C)(C)CNc1ccncn1 WXVL_AK00655LP3358 [0,0,0,0,0,1|3,0,0]=4 24 B12R1.891 CC(C)(C)CNc1ncccn1 WXVL_AK00655LP0002 [0,0,0,0,0,1|3,0,0]=4 25 B12R1.891 CC(C)(C)CNc1ncccn1 WXVL_AK00655LP0002 [0,0,0,0,0,1|3,0,0]=4 26 B12R1.891 CC(C)(F)CNc1ccncn1 WXVL_AK00660LP3358 [0,0,0,0,0,1|3,0,0]=4 27 B12R1.891 CC(C)(F)CNc1ccncn1 WXVL_AK00660LP3358 [0,0,0,0,0,1|3,0,0]=4 28 B12R1.891 CC(C)(F)CNc1ncccn1 WXVL_AK00660LP0002 [0,0,0,0,0,1|3,0,0]=4 29 B12R1.891 CC(C)(F)CNc1ncccn1 WXVL_AK00660LP0002 [0,0,0,0,0,1|3,0,0]=4 30 B12R1.891 CC(C)(O)CNc1ccncn1 WXVL_AK0490LP3358 [0,0,0,0,0,1|2,0,0]=3 31 B12R1.891 CC(C)(O)CNc1ccncn1 WXVL_AK0490LP3358 [0,0,0,0,0,1|2,0,0]=3 32 B12R1.891 CC(C)(O)CNc1ncccn1 WXVL_AK0490LP0002 [0,0,0,0,0,1|2,0,0]=3 33 B12R1.891 CC(C)(O)CNc1ncccn1 WXVL_AK0490LP0002 [0,0,0,0,0,1|2,0,0]=3 34 B11R1.36 CN(C)C(=O)c1ccccc1 WXVL_AN0032SD0001 [1,1,0,0,0,0|1,0,1]=4 35 B11R1.36 CN(C)C(=O)c1ccccc1 WXVL_AN0032SD0001 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.40 CNC(=O)Cc1ccccc1 WXVL_AK00442SB0092 [1,1,0,0,0,0|0,0,2]=4 37 B11R1.40 CNC(=O)Cc1ccccc1 WXVL_AK00442SB0092 [1,1,0,0,0,0|0,0,2]=4 38 B13R1.157 CC(C)(O)CNc1ncncc1Br WXVL_AK0490LQ2111 [0,1,0,0,0,1|2,0,0]=4 39 B13R1.157 CC(C)(O)CNc1ncncc1Br WXVL_AK0490LQ2111 [0,1,0,0,0,1|2,0,0]=4 40 B13R1.157 CC(C)(O)CNc1ncncc1F WXVL_AK0490LP0435 [0,1,0,0,0,1|2,0,0]=4 41 B13R1.157 CC(C)(O)CNc1ncncc1F WXVL_AK0490LP0435 [0,1,0,0,0,1|2,0,0]=4 42 B13R1.157 CC(C)(O)CNc1ncncc1I WXVL_AK0490LP3348 [0,1,0,0,0,1|2,0,0]=4 43 B13R1.157 CC(C)(O)CNc1ncncc1I WXVL_AK0490LP3348 [0,1,0,0,0,1|2,0,0]=4 44 B13R1.157 Cc1cncnc1NCC(C)(C)O WXVL_AK0490LP0053 [0,1,0,0,0,1|2,0,0]=4 45 B13R1.157 Cc1cncnc1NCC(C)(C)O WXVL_AK0490LP0053 [0,1,0,0,0,1|2,0,0]=4 46 B13R1.254 CC(C)(CO)CNc1ccncn1 WXVL_AK0104LP3358 [0,1,0,0,0,1|2,0,0]=4 47 B13R1.254 CC(C)(CO)CNc1ccncn1 WXVL_AK0104LP3358 [0,1,0,0,0,1|2,0,0]=4 48 B13R1.254 CC(C)(CO)CNc1ncccn1 WXVL_AK0104LP0002 [0,1,0,0,0,1|2,0,0]=4 49 B13R1.254 CC(C)(CO)CNc1ncccn1 WXVL_AK0104LP0002 [0,1,0,0,0,1|2,0,0]=4 50 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 WXVL_AK0024SD0001 [0,1,0,0,0,1|1,0,1]=4 51 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 WXVL_AK0024SD0001 [0,1,0,0,0,1|1,0,1]=4 52 B13R1.353 CC(C)(Br)C(=O)Nc1ccccc1 WXVL_AG00183SB0432 [0,1,0,0,0,1|1,0,1]=4 53 B13R1.353 CC(C)(Br)C(=O)Nc1ccccc1 WXVL_AG00183SB0432 [0,1,0,0,0,1|1,0,1]=4 54 B13R1.353 CC(C)(C)C(=O)Nc1ccccc1 WXVL_AG00183SB0078 [0,1,0,0,0,1|1,0,1]=4 55 B13R1.353 CC(C)(C)C(=O)Nc1ccccc1 WXVL_AG00183SB0078 [0,1,0,0,0,1|1,0,1]=4 56 B13R1.353 CC(C)(F)C(=O)Nc1ccccc1 WXVL_AG00183SB0199 [0,1,0,0,0,1|1,0,1]=4 57 B13R1.353 CC(C)(F)C(=O)Nc1ccccc1 WXVL_AG00183SB0199 [0,1,0,0,0,1|1,0,1]=4 58 B13R1.353 CC(C)(O)C(=O)Nc1ccccc1 WXVL_AG00183SB0125 [0,1,0,0,0,1|0,0,1]=3 59 B13R1.353 CC(C)(O)C(=O)Nc1ccccc1 WXVL_AG00183SB0125 [0,1,0,0,0,1|0,0,1]=3 60 B13R1.353 CC(C)(O)C(=O)Nc1ccccn1 WXVL_AF00298SB0125 [0,1,0,0,0,1|1,0,1]=4 61 B13R1.353 CC(C)(O)C(=O)Nc1ccccn1 WXVL_AF00298SB0125 [0,1,0,0,0,1|1,0,1]=4 62 B13R1.512 CC(C)(O)CNc1ncc(cn1)Br WXVL_AK0490LQ1546 [0,1,0,0,0,1|2,0,0]=4 63 B13R1.512 CC(C)(O)CNc1ncc(cn1)Br WXVL_AK0490LQ1546 [0,1,0,0,0,1|2,0,0]=4 64 B13R1.512 CC(C)(O)CNc1ncc(cn1)F WXVL_AK0490LP0017 [0,1,0,0,0,1|2,0,0]=4 65 B13R1.512 CC(C)(O)CNc1ncc(cn1)F WXVL_AK0490LP0017 [0,1,0,0,0,1|2,0,0]=4 66 B13R1.512 CC(C)(O)CNc1ncc(cn1)I WXVL_AK0490LP3340 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.512 CC(C)(O)CNc1ncc(cn1)I WXVL_AK0490LP3340 [0,1,0,0,0,1|2,0,0]=4 68 B13R1.512 Cc1cnc(nc1)NCC(C)(C)O WXVL_AK0490LP0025 [0,1,0,0,0,1|2,0,0]=4 69 B13R1.512 Cc1cnc(nc1)NCC(C)(C)O WXVL_AK0490LP0025 [0,1,0,0,0,1|2,0,0]=4 70 B13R1.838 CC(C)(O)CNc1ccnc(n1)Br WXVL_AK0490LQ4646 [0,1,0,0,0,1|2,0,0]=4 71 B13R1.838 CC(C)(O)CNc1ccnc(n1)Br WXVL_AK0490LQ4646 [0,1,0,0,0,1|2,0,0]=4 72 B13R1.838 CC(C)(O)CNc1nccc(n1)Br WXVL_AK0490LQ3192 [0,1,0,0,0,1|2,0,0]=4 73 B13R1.838 CC(C)(O)CNc1nccc(n1)Br WXVL_AK0490LQ3192 [0,1,0,0,0,1|2,0,0]=4 74 B13R1.838 Cc1cc(ncn1)NCC(C)(C)O WXVL_AK0490LP0109 [0,1,0,0,0,1|2,0,0]=4 75 B13R1.838 Cc1cc(ncn1)NCC(C)(C)O WXVL_AK0490LP0109 [0,1,0,0,0,1|2,0,0]=4 76 B13R1.838 Cc1ccnc(n1)NCC(C)(C)O WXVL_AK0490LP0007 [0,1,0,0,0,1|2,0,0]=4 77 B13R1.838 Cc1ccnc(n1)NCC(C)(C)O WXVL_AK0490LP0007 [0,1,0,0,0,1|2,0,0]=4 78 B13R1.838 Cc1nccc(n1)NCC(C)(C)O WXVL_AK0490LP0556 [0,1,0,0,0,1|2,0,0]=4 79 B13R1.838 Cc1nccc(n1)NCC(C)(C)O WXVL_AK0490LP0556 [0,1,0,0,0,1|2,0,0]=4 80 B13R1.1073 CC(C)(Cc1ccccc1)C(=O)N WXVL_AK0084SB3630 [0,2,0,0,0,0|0,0,1]=3 81 B13R1.1073 CC(C)(Cc1ccccc1)C(=O)N WXVL_AK0084SB3630 [0,2,0,0,0,0|0,0,1]=3 82 B13R2.173 CC1(CN(C1)c2ccncn2)O WXVL_AN0497LP3358 [0,0,0,1,0,1|2,0,0]=4 83 B13R2.173 CC1(CN(C1)c2ccncn2)O WXVL_AN0497LP3358 [0,0,0,1,0,1|2,0,0]=4 84 B13R2.173 CC1(CN(C1)c2ncccn2)O WXVL_AN0497LP0002 [0,0,0,1,0,1|2,0,0]=4 85 B13R2.173 CC1(CN(C1)c2ncccn2)O WXVL_AN0497LP0002 [0,0,0,1,0,1|2,0,0]=4 86 B13R2.3203 OC1(CC1)CNc2ccncn2 WXVL_AK0301LP3358 [0,0,0,1,0,1|2,0,0]=4 87 B13R2.3203 OC1(CC1)CNc2ccncn2 WXVL_AK0301LP3358 [0,0,0,1,0,1|2,0,0]=4 88 B13R2.3203 OC1(CC1)CNc2ncccn2 WXVL_AK0301LP0002 [0,0,0,1,0,1|2,0,0]=4 89 B13R2.3203 OC1(CC1)CNc2ncccn2 WXVL_AK0301LP0002 [0,0,0,1,0,1|2,0,0]=4 90 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [1,0,0,0,0,1|0,0,2]=4 91 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [1,0,0,0,0,1|0,0,2]=4 92 B11R1.91 CC(C)CNc1ccncn1 WXVL_AK00544LP3358 [1,0,0,0,0,1|2,0,0]=4 93 B11R1.91 CC(C)CNc1ccncn1 WXVL_AK00544LP3358 [1,0,0,0,0,1|2,0,0]=4 94 B11R1.91 CC(C)CNc1ncccn1 WXVL_AK00544LP0002 [1,0,0,0,0,1|2,0,0]=4 95 B11R1.91 CC(C)CNc1ncccn1 WXVL_AK00544LP0002 [1,0,0,0,0,1|2,0,0]=4 96 B11R1.91 CC(O)CNc1ccncn1 WXVL_AK0052LP3358 [1,0,0,0,0,1|2,0,0]=4 97 B11R1.91 CC(O)CNc1ccncn1 WXVL_AK0052LP3358 [1,0,0,0,0,1|2,0,0]=4 98 B11R1.91 CC(O)CNc1ncccn1 WXVL_AK0052LP0002 [1,0,0,0,0,1|2,0,0]=4 99 B11R1.91 CC(O)CNc1ncccn1 WXVL_AK0052LP0002 [1,0,0,0,0,1|2,0,0]=4 100 B11R1.91 C[C@H](O)CNc1ccncn1 WXVL_AK0113LP3358 [1,0,0,0,0,1|2,0,0]=4 101 B11R1.91 C[C@H](O)CNc1ccncn1 WXVL_AK0113LP3358 [1,0,0,0,0,1|2,0,0]=4 102 B11R1.91 C[C@H](O)CNc1ncccn1 WXVL_AK0113LP0002 [1,0,0,0,0,1|2,0,0]=4 103 B11R1.91 C[C@H](O)CNc1ncccn1 WXVL_AK0113LP0002 [1,0,0,0,0,1|2,0,0]=4 104 B13R1.3523 CC(C)(O)CCNc1ccncn1 WXVL_AK1558LP3358 [0,0,0,0,0,2|2,0,0]=4 105 B13R1.3523 CC(C)(O)CCNc1ccncn1 WXVL_AK1558LP3358 [0,0,0,0,0,2|2,0,0]=4 106 B13R1.3523 CC(C)(O)CCNc1ncccn1 WXVL_AK1558LP0002 [0,0,0,0,0,2|2,0,0]=4 107 B13R1.3523 CC(C)(O)CCNc1ncccn1 WXVL_AK1558LP0002 [0,0,0,0,0,2|2,0,0]=4