0 B17R3.127913 c1nc(c2sccc2n1)NCCC3CC3 WXVL_AK00594LP0180 [0,0,0,0,0,0|4,0,0]=4 1 B17R3.127913 c1nc(c2sccc2n1)NCCC3CC3 WXVL_AK00594LP0180 [0,0,0,0,0,0|4,0,0]=4 2 B18R3.240199 O=C(CC1CC1)Nc2cccc3c2[nH]cc3 WXVL_AG2633SB0155 [0,1,0,0,0,0|3,0,0]=4 3 B18R3.240199 O=C(CC1CC1)Nc2cccc3c2[nH]cc3 WXVL_AG2633SB0155 [0,1,0,0,0,0|3,0,0]=4 4 B18R3.240199 O=C(CC1CC1)Nc2cccc3c2scn3 WXVL_AG1119SB0155 [0,1,0,0,0,0|3,0,0]=4 5 B18R3.240199 O=C(CC1CC1)Nc2cccc3c2scn3 WXVL_AG1119SB0155 [0,1,0,0,0,0|3,0,0]=4 6 B18R3.1018550 O=C(NCc1cccc2c1cc[nH]2)C3CC3 WXVL_AK0552SB0038 [0,1,0,0,0,0|2,0,1]=4 7 B18R3.1018550 O=C(NCc1cccc2c1cc[nH]2)C3CC3 WXVL_AK0552SB0038 [0,1,0,0,0,0|2,0,1]=4 8 B18R3.1018550 O=C(NCc1cccc2n1ncc2)C3CC3 WXVL_AK3527SB0038 [0,1,0,0,0,0|2,0,1]=4 9 B18R3.1018550 O=C(NCc1cccc2n1ncc2)C3CC3 WXVL_AK3527SB0038 [0,1,0,0,0,0|2,0,1]=4 10 B15R2.4278 CCCCNc1ncnc2c1scc2 WXVL_AK00588LP0180 [1,0,1,0,0,0|2,0,0]=4 11 B15R2.4278 CCCCNc1ncnc2c1scc2 WXVL_AK00588LP0180 [1,0,1,0,0,0|2,0,0]=4 12 B17R2.8178 CCCCNC(=O)c1cccc2c1[nH]cc2 WXVL_AK00588SE0166 [0,1,1,0,0,0|1,0,1]=4 13 B17R2.8178 CCCCNC(=O)c1cccc2c1[nH]cc2 WXVL_AK00588SE0166 [0,1,1,0,0,0|1,0,1]=4 14 B17R2.8178 CCCCNC(=O)c1cccc2c1occ2 WXVL_AK00588SE1046 [0,1,1,0,0,0|0,1,1]=4 15 B17R2.8178 CCCCNC(=O)c1cccc2c1occ2 WXVL_AK00588SE1046 [0,1,1,0,0,0|0,1,1]=4 16 B17R2.8178 CCCCNC(=O)c1cccc2c1scn2 WXVL_AK00588SE0498 [0,1,1,0,0,0|1,0,1]=4 17 B17R2.8178 CCCCNC(=O)c1cccc2c1scn2 WXVL_AK00588SE0498 [0,1,1,0,0,0|1,0,1]=4 18 B17R2.90971 CC(C)CNC(=O)c1cccc2c1[nH]cc2 WXVL_AK00544SE0166 [0,1,1,0,0,0|1,0,1]=4 19 B17R2.90971 CC(C)CNC(=O)c1cccc2c1[nH]cc2 WXVL_AK00544SE0166 [0,1,1,0,0,0|1,0,1]=4 20 B17R2.90971 CC(C)CNC(=O)c1cccc2c1occ2 WXVL_AK00544SE1046 [0,1,1,0,0,0|0,1,1]=4 21 B17R2.90971 CC(C)CNC(=O)c1cccc2c1occ2 WXVL_AK00544SE1046 [0,1,1,0,0,0|0,1,1]=4 22 B17R2.90971 CC(C)CNC(=O)c1cccc2c1scn2 WXVL_AK00544SE0498 [0,1,1,0,0,0|1,0,1]=4 23 B17R2.90971 CC(C)CNC(=O)c1cccc2c1scn2 WXVL_AK00544SE0498 [0,1,1,0,0,0|1,0,1]=4 24 B17R3.212234 CC1(CC1)CNc2ncnc3c2scc3 WXVL_AK00811LP0180 [0,1,0,0,1,0|2,0,0]=4 25 B17R3.212234 CC1(CC1)CNc2ncnc3c2scc3 WXVL_AK00811LP0180 [0,1,0,0,1,0|2,0,0]=4 26 B17R3.212234 OC1(CC1)CNc2ncnc3c2scc3 WXVL_AK0301LP0180 [0,1,0,0,1,0|2,0,0]=4 27 B17R3.212234 OC1(CC1)CNc2ncnc3c2scc3 WXVL_AK0301LP0180 [0,1,0,0,1,0|2,0,0]=4 28 B17R3.483750 O=C(NC1CC1)c2cccc3c2[nH]cc3 WXVL_AK0001SE0166 [0,1,0,0,1,0|1,0,1]=4 29 B17R3.483750 O=C(NC1CC1)c2cccc3c2[nH]cc3 WXVL_AK0001SE0166 [0,1,0,0,1,0|1,0,1]=4 30 B17R3.483750 O=C(NC1CC1)c2cccc3c2occ3 WXVL_AK0001SE1046 [0,1,0,0,1,0|0,1,1]=4 31 B17R3.483750 O=C(NC1CC1)c2cccc3c2occ3 WXVL_AK0001SE1046 [0,1,0,0,1,0|0,1,1]=4 32 B17R3.483750 O=C(NC1CC1)c2cccc3c2scn3 WXVL_AK0001SE0498 [0,1,0,0,1,0|1,0,1]=4 33 B17R3.483750 O=C(NC1CC1)c2cccc3c2scn3 WXVL_AK0001SE0498 [0,1,0,0,1,0|1,0,1]=4 34 B17R3.484355 CC(Nc1ncnc2c1scc2)C3CC3 WXVL_AK00200LP0180 [0,1,0,0,1,0|2,0,0]=4 35 B17R3.484355 CC(Nc1ncnc2c1scc2)C3CC3 WXVL_AK00200LP0180 [0,1,0,0,1,0|2,0,0]=4 36 B17R3.484355 C[C@H](Nc1ncnc2c1scc2)C3CC3 WXVL_AK0484LP0180 [0,1,0,0,1,0|2,0,0]=4 37 B17R3.484355 C[C@H](Nc1ncnc2c1scc2)C3CC3 WXVL_AK0484LP0180 [0,1,0,0,1,0|2,0,0]=4 38 B17R3.484355 O=C(Nc1cccc2c1[nH]cc2)C3CC3 WXVL_AG2633SB0038 [0,1,0,0,1,0|1,0,1]=4 39 B17R3.484355 O=C(Nc1cccc2c1[nH]cc2)C3CC3 WXVL_AG2633SB0038 [0,1,0,0,1,0|1,0,1]=4 40 B17R3.484355 O=C(Nc1cccc2c1scn2)C3CC3 WXVL_AG1119SB0038 [0,1,0,0,1,0|1,0,1]=4 41 B17R3.484355 O=C(Nc1cccc2c1scn2)C3CC3 WXVL_AG1119SB0038 [0,1,0,0,1,0|1,0,1]=4 42 B19R3.678495 O=C(NCc1cccc2c1cccc2)C3CC3 WXVL_AK0011SB0038 [0,1,0,0,0,1|1,0,1]=4 43 B19R3.678495 O=C(NCc1cccc2c1cccc2)C3CC3 WXVL_AK0011SB0038 [0,1,0,0,0,1|1,0,1]=4 44 B19R3.678495 O=C(NCc1cccc2c1cccn2)C3CC3 WXVL_AK1510SB0038 [0,1,0,0,0,1|1,0,1]=4 45 B19R3.678495 O=C(NCc1cccc2c1cccn2)C3CC3 WXVL_AK1510SB0038 [0,1,0,0,0,1|1,0,1]=4 46 B19R3.678495 O=C(NCc1cccc2c1nccc2)C3CC3 WXVL_AK5913SB0038 [0,1,0,0,0,1|1,0,1]=4 47 B19R3.678495 O=C(NCc1cccc2c1nccc2)C3CC3 WXVL_AK5913SB0038 [0,1,0,0,0,1|1,0,1]=4 48 B19R3.678495 O=C(NCc1cccc2c1nccn2)C3CC3 WXVL_AK6011SB0038 [0,1,0,0,0,1|1,0,1]=4 49 B19R3.678495 O=C(NCc1cccc2c1nccn2)C3CC3 WXVL_AK6011SB0038 [0,1,0,0,0,1|1,0,1]=4 50 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2[nH]cc3 WXVL_AK00492SE0166 [0,1,0,0,0,1|1,0,1]=4 51 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2[nH]cc3 WXVL_AK00492SE0166 [0,1,0,0,0,1|1,0,1]=4 52 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2occ3 WXVL_AK00492SE1046 [0,1,0,0,0,1|0,1,1]=4 53 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2occ3 WXVL_AK00492SE1046 [0,1,0,0,0,1|0,1,1]=4 54 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2scn3 WXVL_AK00492SE0498 [0,1,0,0,0,1|1,0,1]=4 55 B19R3.678125 O=C(NCC1CCC1)c2cccc3c2scn3 WXVL_AK00492SE0498 [0,1,0,0,0,1|1,0,1]=4 56 B19R3.678125 O=C(NCC1CCO1)c2cccc3c2[nH]cc3 WXVL_AK1433SE0166 [0,1,0,0,0,1|1,0,1]=4 57 B19R3.678125 O=C(NCC1CCO1)c2cccc3c2[nH]cc3 WXVL_AK1433SE0166 [0,1,0,0,0,1|1,0,1]=4 58 B19R3.678125 O=C(NCC1CCO1)c2cccc3c2occ3 WXVL_AK1433SE1046 [0,1,0,0,0,1|0,1,1]=4 59 B19R3.678125 O=C(NCC1CCO1)c2cccc3c2occ3 WXVL_AK1433SE1046 [0,1,0,0,0,1|0,1,1]=4 60 B19R3.678125 O=C(NCC1CCO1)c2cccc3c2scn3 WXVL_AK1433SE0498 [0,1,0,0,0,1|1,0,1]=4 61 B19R3.678125 O=C(NCC1CCO1)c2cccc3c2scn3 WXVL_AK1433SE0498 [0,1,0,0,0,1|1,0,1]=4 62 B19R3.678125 O=C(NCC1COC1)c2cccc3c2[nH]cc3 WXVL_AK0186SE0166 [0,1,0,0,0,1|1,0,1]=4 63 B19R3.678125 O=C(NCC1COC1)c2cccc3c2[nH]cc3 WXVL_AK0186SE0166 [0,1,0,0,0,1|1,0,1]=4 64 B19R3.678125 O=C(NCC1COC1)c2cccc3c2occ3 WXVL_AK0186SE1046 [0,1,0,0,0,1|0,1,1]=4 65 B19R3.678125 O=C(NCC1COC1)c2cccc3c2occ3 WXVL_AK0186SE1046 [0,1,0,0,0,1|0,1,1]=4 66 B19R3.678125 O=C(NCC1COC1)c2cccc3c2scn3 WXVL_AK0186SE0498 [0,1,0,0,0,1|1,0,1]=4 67 B19R3.678125 O=C(NCC1COC1)c2cccc3c2scn3 WXVL_AK0186SE0498 [0,1,0,0,0,1|1,0,1]=4 68 B19R3.678501 O=C(CC1CC1)NCc2cccc3c2cc[nH]3 WXVL_AK0552SB0155 [0,1,0,0,0,1|2,0,0]=4 69 B19R3.678501 O=C(CC1CC1)NCc2cccc3c2cc[nH]3 WXVL_AK0552SB0155 [0,1,0,0,0,1|2,0,0]=4 70 B19R3.678501 O=C(CC1CC1)NCc2cccc3n2ncc3 WXVL_AK3527SB0155 [0,1,0,0,0,1|2,0,0]=4 71 B19R3.678501 O=C(CC1CC1)NCc2cccc3n2ncc3 WXVL_AK3527SB0155 [0,1,0,0,0,1|2,0,0]=4 72 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2[nH]cc3 WXVL_AK00594SE0166 [0,1,0,0,0,1|1,0,1]=4 73 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2[nH]cc3 WXVL_AK00594SE0166 [0,1,0,0,0,1|1,0,1]=4 74 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2occ3 WXVL_AK00594SE1046 [0,1,0,0,0,1|0,1,1]=4 75 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2occ3 WXVL_AK00594SE1046 [0,1,0,0,0,1|0,1,1]=4 76 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2scn3 WXVL_AK00594SE0498 [0,1,0,0,0,1|1,0,1]=4 77 B19R3.678599 O=C(NCCC1CC1)c2cccc3c2scn3 WXVL_AK00594SE0498 [0,1,0,0,0,1|1,0,1]=4 78 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2[nH]cc3 WXVL_AK00811SE0166 [0,2,0,0,0,0|1,0,1]=4 79 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2[nH]cc3 WXVL_AK00811SE0166 [0,2,0,0,0,0|1,0,1]=4 80 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2occ3 WXVL_AK00811SE1046 [0,2,0,0,0,0|0,1,1]=4 81 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2occ3 WXVL_AK00811SE1046 [0,2,0,0,0,0|0,1,1]=4 82 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2scn3 WXVL_AK00811SE0498 [0,2,0,0,0,0|1,0,1]=4 83 B19R3.4094801 CC1(CC1)CNC(=O)c2cccc3c2scn3 WXVL_AK00811SE0498 [0,2,0,0,0,0|1,0,1]=4 84 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2[nH]cc3 WXVL_AK0301SE0166 [0,2,0,0,0,0|1,0,1]=4 85 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2[nH]cc3 WXVL_AK0301SE0166 [0,2,0,0,0,0|1,0,1]=4 86 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2occ3 WXVL_AK0301SE1046 [0,2,0,0,0,0|0,1,1]=4 87 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2occ3 WXVL_AK0301SE1046 [0,2,0,0,0,0|0,1,1]=4 88 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2scn3 WXVL_AK0301SE0498 [0,2,0,0,0,0|1,0,1]=4 89 B19R3.4094801 O=C(NCC1(CC1)O)c2cccc3c2scn3 WXVL_AK0301SE0498 [0,2,0,0,0,0|1,0,1]=4 90 B19R3.6535366 CC(NC(=O)c1cccc2c1[nH]cc2)C3CC3 WXVL_AK00200SE0166 [0,2,0,0,0,0|1,0,1]=4 91 B19R3.6535366 CC(NC(=O)c1cccc2c1[nH]cc2)C3CC3 WXVL_AK00200SE0166 [0,2,0,0,0,0|1,0,1]=4 92 B19R3.6535366 CC(NC(=O)c1cccc2c1occ2)C3CC3 WXVL_AK00200SE1046 [0,2,0,0,0,0|0,1,1]=4 93 B19R3.6535366 CC(NC(=O)c1cccc2c1occ2)C3CC3 WXVL_AK00200SE1046 [0,2,0,0,0,0|0,1,1]=4 94 B19R3.6535366 CC(NC(=O)c1cccc2c1scn2)C3CC3 WXVL_AK00200SE0498 [0,2,0,0,0,0|1,0,1]=4 95 B19R3.6535366 CC(NC(=O)c1cccc2c1scn2)C3CC3 WXVL_AK00200SE0498 [0,2,0,0,0,0|1,0,1]=4 96 B19R3.6535366 C[C@H](NC(=O)c1cccc2c1[nH]cc2)C3CC3 WXVL_AK0484SE0166 [0,2,0,0,0,0|1,0,1]=4 97 B19R3.6535366 C[C@H](NC(=O)c1cccc2c1[nH]cc2)C3CC3 WXVL_AK0484SE0166 [0,2,0,0,0,0|1,0,1]=4 98 B19R3.6535366 C[C@H](NC(=O)c1cccc2c1occ2)C3CC3 WXVL_AK0484SE1046 [0,2,0,0,0,0|0,1,1]=4 99 B19R3.6535366 C[C@H](NC(=O)c1cccc2c1occ2)C3CC3 WXVL_AK0484SE1046 [0,2,0,0,0,0|0,1,1]=4 100 B19R3.6535366 C[C@H](NC(=O)c1cccc2c1scn2)C3CC3 WXVL_AK0484SE0498 [0,2,0,0,0,0|1,0,1]=4 101 B19R3.6535366 C[C@H](NC(=O)c1cccc2c1scn2)C3CC3 WXVL_AK0484SE0498 [0,2,0,0,0,0|1,0,1]=4 102 B15R2.19753 CC(C)CNc1ncnc2c1scc2 WXVL_AK00544LP0180 [0,0,1,0,1,0|2,0,0]=4 103 B15R2.19753 CC(C)CNc1ncnc2c1scc2 WXVL_AK00544LP0180 [0,0,1,0,1,0|2,0,0]=4 104 B15R3.4382 c1nc(c2sccc2n1)NC3CC3 WXVL_AK0001LP0180 [0,0,0,0,2,0|2,0,0]=4 105 B15R3.4382 c1nc(c2sccc2n1)NC3CC3 WXVL_AK0001LP0180 [0,0,0,0,2,0|2,0,0]=4