0 B24R3.718581 C#CCC(=O)N1CC[C@@H]([C@@H](C1)Nc2ncnc3c2cc[nH]3)F WXDL_WXCD00230381_SB3070_LP0055 [1,0,0,0,0,0|2,0,0]=3 1 B24R3.718581 C#CCC(=O)N1CC[C@@H]([C@@H](C1)Nc2ncnc3c2cco3)F WXDL_WXCD00230381_SB3070_LP0417 [1,0,0,0,0,0|3,0,0]=4 2 B24R3.718581 C#CCC(=O)N1CC[C@@H]([C@@H](C1)Nc2ncnc3c2ccs3)F WXDL_WXCD00230381_SB3070_LP0097 [1,0,0,0,0,0|3,0,0]=4 3 B24R3.718581 C#CCC(=O)N1CC[C@@H]([C@@H](C1)Nc2ncnc3c2cn[nH]3)F WXDL_WXCD00230381_SB3070_PY0172 [1,0,0,0,0,0|3,0,0]=4 4 B24R3.718581 C=CCC(=O)N1CC[C@@H]([C@@H](C1)Nc2ncnc3c2cc[nH]3)F WXDL_WXCD00230381_SB2732_LP0055 [1,0,0,0,0,0|2,0,1]=4 5 B24R3.718581 CC#CC(=O)N1CC[C@@H]([C@@H](C1)Nc2ncnc3c2cc[nH]3)F WXDL_WXCD00230381_SB1240_LP0055 [1,0,0,0,0,0|2,0,1]=4 6 B24R3.718581 CCCC(=O)N1CC[C@@H]([C@@H](C1)Nc2ncnc3c2cc[nH]3)F WXDL_WXCD00230381_SB0073_LP0055 [1,0,0,0,0,0|2,0,1]=4 7 B24R3.718581 COCC(=O)N1CC[C@@H]([C@@H](C1)Nc2ncnc3c2cc[nH]3)F WXDL_WXCD00230381_SB0090_LP0055 [1,0,0,0,0,0|3,0,0]=4 8 B24R3.718581 CSCC(=O)N1CC[C@@H]([C@@H](C1)Nc2ncnc3c2cc[nH]3)F WXDL_WXCD00230381_SB1267_LP0055 [1,0,0,0,0,0|3,0,0]=4 9 B24R3.718581 N#CCC(=O)N1CC[C@@H]([C@H](C1)Nc2ncnc3c2[nH]cc3)F WXDL_WXCD00230381_SB0057_LP0194 [1,0,0,0,0,0|3,0,0]=4 10 B24R3.718581 N#CCC(=O)N1CC[C@@H]([C@H](C1)Nc2ncnc3c2cc[nH]3)F WXDL_WXCD00230381_SB0057_LP0055 [1,0,0,0,0,0|1,0,0]=2 11 B24R3.718581 N#CCC(=O)N1CC[C@@H]([C@H](C1)Nc2ncnc3c2cco3)F WXDL_WXCD00230381_SB0057_LP0417 [1,0,0,0,0,0|2,0,0]=3 12 B24R3.718581 N#CCC(=O)N1CC[C@@H]([C@H](C1)Nc2ncnc3c2ccs3)F WXDL_WXCD00230381_SB0057_LP0097 [1,0,0,0,0,0|2,0,0]=3 13 B24R3.718581 N#CCC(=O)N1CC[C@@H]([C@H](C1)Nc2ncnc3c2cn[nH]3)F WXDL_WXCD00230381_SB0057_PY0172 [1,0,0,0,0,0|2,0,0]=3 14 B24R3.718581 N#CCC(=O)N1CC[C@@H]([C@H](C1)Nc2ncnc3c2scc3)F WXDL_WXCD00230381_SB0057_LP0180 [1,0,0,0,0,0|3,0,0]=4 15 B24R3.718581 N#CCC(=O)N1CC[C@@H]([C@H](C1)Nc2ncnn3c2ccc3)F WXDL_WXCD00230381_SB0057_LP3349 [1,0,0,0,0,0|3,0,0]=4 16 B23R3.1390398 C#CC(=O)N1CC[C@@H]([C@@H](C1)Nc2ncnc3c2cc[nH]3)F WXDL_WXCD00230381_SB0338_LP0055 [2,0,0,0,0,0|1,0,1]=4 17 B23R3.1390398 CCC(=O)N1CC[C@@H]([C@@H](C1)Nc2ncnc3c2cc[nH]3)F WXDL_WXCD00230381_SB0064_LP0055 [2,0,0,0,0,0|1,0,1]=4 18 B23R3.1390398 O=C(CO)N1CC[C@@H]([C@H](C1)Nc2ncnc3c2cc[nH]3)F WXDL_WXCD00230381_SB2706_LP0055 [2,0,0,0,0,0|2,0,0]=4 19 B25R3.400561 C#CCC(=O)N1CC[C@@H]([C@@H](C1)Nc2ncnc3c2ccn3C)F WXDL_WXCD00230381_SB3070_LP0456 [1,1,0,0,0,0|2,0,0]=4 20 B25R3.400561 Cn1ccc2c1ncnc2N[C@H]3CN(CC[C@@H]3F)C(=O)CC#N WXDL_WXCD00230381_SB0057_LP0456 [1,1,0,0,0,0|1,0,0]=3 21 B25R3.400561 Cn1cnc2c1ncnc2N[C@H]3CN(CC[C@@H]3F)C(=O)CC#N WXDL_WXCD00230381_SB0057_LP0352 [1,1,0,0,0,0|2,0,0]=4 22 B25R3.400561 Cn1ncc2c1ncnc2N[C@H]3CN(CC[C@@H]3F)C(=O)CC#N WXDL_WXCD00230381_SB0057_LP3353 [1,1,0,0,0,0|2,0,0]=4 23 B25R3.400562 C#CCC(=O)N1CCC(C(C1)Nc2ncnc3c2cc[nH]3)(F)F WXDL_LN01477175_SB3070_LP0055 [1,1,0,0,0,0|2,0,0]=4 24 B25R3.400562 N#CCC(=O)N1CCC(C(C1)Nc2ncnc3c2cc[nH]3)(F)F WXDL_LN01477175_SB0057_LP0055 [1,1,0,0,0,0|1,0,0]=3 25 B25R3.400562 N#CCC(=O)N1CCC(C(C1)Nc2ncnc3c2cco3)(F)F WXDL_LN01477175_SB0057_LP0417 [1,1,0,0,0,0|2,0,0]=4 26 B25R3.400562 N#CCC(=O)N1CCC(C(C1)Nc2ncnc3c2ccs3)(F)F WXDL_LN01477175_SB0057_LP0097 [1,1,0,0,0,0|2,0,0]=4 27 B25R3.400562 N#CCC(=O)N1CCC(C(C1)Nc2ncnc3c2cn[nH]3)(F)F WXDL_LN01477175_SB0057_PY0172 [1,1,0,0,0,0|2,0,0]=4 28 B25R3.400579 C#CCC(=O)N1CC[C@@H]([C@@H](C1)Nc2ncnc3c2cc([nH]3)Br)F WXDL_WXCD00230381_SB3070_LR0533 [1,1,0,0,0,0|2,0,0]=4 29 B25R3.400579 C#CCC(=O)N1CC[C@@H]([C@@H](C1)Nc2ncnc3c2cc([nH]3)C)F WXDL_WXCD00230381_SB3070_LP0780 [1,1,0,0,0,0|2,0,0]=4 30 B25R3.400579 Cc1cc2c(ncnc2[nH]1)N[C@H]3CN(CC[C@@H]3F)C(=O)CC#N WXDL_WXCD00230381_SB0057_LP0780 [1,1,0,0,0,0|1,0,0]=3 31 B25R3.400579 Cc1nc2c(ncnc2[nH]1)N[C@H]3CN(CC[C@@H]3F)C(=O)CC#N WXDL_WXCD00230381_SB0057_LP3356 [1,1,0,0,0,0|2,0,0]=4 32 B25R3.400579 N#CCC(=O)N1CC[C@@H]([C@H](C1)Nc2ncnc3c2CC(=O)N3)F WXDL_WXCD00230381_SB0057_LP0135 [1,1,0,0,0,0|1,0,1]=4 33 B25R3.400579 N#CCC(=O)N1CC[C@@H]([C@H](C1)Nc2ncnc3c2cc([nH]3)Br)F WXDL_WXCD00230381_SB0057_LR0533 [1,1,0,0,0,0|1,0,0]=3 34 B25R3.400579 N#CCC(=O)N1CC[C@@H]([C@H](C1)Nc2ncnc3c2cc(s3)Br)F WXDL_WXCD00230381_SB0057_LR0544 [1,1,0,0,0,0|2,0,0]=4 35 B25R3.400594 C#CCC(=O)N1CC[C@@H]([C@@H](C1)Nc2ncnc3c2c(c[nH]3)C)F WXDL_WXCD00230381_SB3070_LP0065 [1,1,0,0,0,0|2,0,0]=4 36 B25R3.400594 C#CCC(=O)N1CC[C@@H]([C@@H](C1)Nc2ncnc3c2c(c[nH]3)I)F WXDL_WXCD00230381_SB3070_LR0005 [1,1,0,0,0,0|2,0,0]=4 37 B25R3.400594 Cc1c[nH]c2c1c(ncn2)N[C@H]3CN(CC[C@@H]3F)C(=O)CC#N WXDL_WXCD00230381_SB0057_LP0065 [1,1,0,0,0,0|1,0,0]=3 38 B25R3.400594 Cc1csc2c1c(ncn2)N[C@H]3CN(CC[C@@H]3F)C(=O)CC#N WXDL_WXCD00230381_SB0057_LP0115 [1,1,0,0,0,0|2,0,0]=4 39 B25R3.400594 N#CCC(=O)N1CC[C@@H]([C@H](C1)Nc2ncnc3c2c(c[nH]3)I)F WXDL_WXCD00230381_SB0057_LR0005 [1,1,0,0,0,0|1,0,0]=3 40 B25R3.400594 N#CCC(=O)N1CC[C@@H]([C@H](C1)Nc2ncnc3c2c(n[nH]3)I)F WXDL_WXCD00230381_SB0057_PY1247 [1,1,0,0,0,0|2,0,0]=4 41 B25R3.1818921 C#CCCC(=O)N1CC[C@@H]([C@@H](C1)Nc2ncnc3c2cc[nH]3)F WXDL_WXCD00230381_SB2189_LP0055 [1,1,0,0,0,0|2,0,0]=4 42 B25R3.6024677 N#CCS(=O)(=O)N1CC[C@@H]([C@H](C1)Nc2ncnc3c2cc[nH]3)F WXDL_WXCD00230381_HU0414_LP0055 [1,1,0,0,0,0|2,0,0]=4 43 B25R3.38045733 Cc1nc(c2cn[nH]c2n1)N[C@H]3CN(CC[C@@H]3F)C(=O)CC#N WXDL_WXCD00230381_SB0057_PY0466 [1,1,0,0,0,0|2,0,0]=4 44 B25R3.33127256 C#CCC(=O)N1CCN(C[C@@H]1COC)c2ncnc3c2cc[nH]3 WXDL_WXCD00604437_LP0055_SB3070 [0,0,1,1,0,0|2,0,0]=4 45 B25R3.33127256 COC[C@H]1CN(CCN1C(=O)CC#N)c2ncnc3c2cc[nH]3 WXDL_WXCD00604437_LP0055_SB0057 [0,0,1,1,0,0|1,0,0]=3 46 B25R3.33127256 COC[C@H]1CN(CCN1C(=O)CC#N)c2ncnc3c2cco3 WXDL_WXCD00604437_LP0417_SB0057 [0,0,1,1,0,0|2,0,0]=4 47 B25R3.33127256 COC[C@H]1CN(CCN1C(=O)CC#N)c2ncnc3c2ccs3 WXDL_WXCD00604437_LP0097_SB0057 [0,0,1,1,0,0|2,0,0]=4 48 B25R3.33127256 COC[C@H]1CN(CCN1C(=O)CC#N)c2ncnc3c2cn[nH]3 WXDL_WXCD00604437_PY0172_SB0057 [0,0,1,1,0,0|2,0,0]=4 49 B25R3.33127256 N#CCC(=O)N1CCN(C[C@@H]1CC#N)c2ncnc3c2cc[nH]3 WXDL_WXCD00908444_SB0057_LP0055 [0,0,1,1,0,0|1,0,1]=4 50 B25R3.33127256 N#CCC(=O)N1CCN(C[C@H]1CC#N)c2ncnc3c2cc[nH]3 WXDL_WXCD00175088_SB0057_LP0055 [0,0,1,1,0,0|1,0,1]=4 51 B25R3.38043349 C#CCC(=O)N1CCN([C@H](C1)C(C)C)c2ncnc3c2cc[nH]3 WXDL_WXCD01003540_SB3070_LP0055 [0,0,1,1,0,0|1,0,0]=3 52 B25R3.38043349 C#CCC(=O)N1CCN([C@H](C1)C(C)C)c2ncnc3c2cco3 WXDL_WXCD01003540_SB3070_LP0417 [0,0,1,1,0,0|2,0,0]=4 53 B25R3.38043349 C#CCC(=O)N1CCN([C@H](C1)C(C)C)c2ncnc3c2ccs3 WXDL_WXCD01003540_SB3070_LP0097 [0,0,1,1,0,0|2,0,0]=4 54 B25R3.38043349 C#CCC(=O)N1CCN([C@H](C1)C(C)C)c2ncnc3c2cn[nH]3 WXDL_WXCD01003540_SB3070_PY0172 [0,0,1,1,0,0|2,0,0]=4 55 B25R3.38043349 C=CCC(=O)N1CCN([C@H](C1)C(C)C)c2ncnc3c2cc[nH]3 WXDL_WXCD01003540_SB2732_LP0055 [0,0,1,1,0,0|1,0,1]=4 56 B25R3.38043349 CC#CC(=O)N1CCN([C@H](C1)C(C)C)c2ncnc3c2cc[nH]3 WXDL_WXCD01003540_SB1240_LP0055 [0,0,1,1,0,0|1,0,1]=4 57 B25R3.38043349 CC(C)[C@H]1CN(CCN1c2ncnc3c2[nH]cc3)C(=O)CC#N WXDL_WXCD01003540_SB0057_LP0194 [0,0,1,1,0,0|2,0,0]=4 58 B25R3.38043349 CC(C)[C@H]1CN(CCN1c2ncnc3c2cc[nH]3)C(=O)CC#N WXDL_WXCD01003540_SB0057_LP0055 [0,0,1,1,0,0|0,0,0]=2 59 B25R3.38043349 CC(C)[C@H]1CN(CCN1c2ncnc3c2cco3)C(=O)CC#N WXDL_WXCD01003540_SB0057_LP0417 [0,0,1,1,0,0|1,0,0]=3 60 B25R3.38043349 CC(C)[C@H]1CN(CCN1c2ncnc3c2ccs3)C(=O)CC#N WXDL_WXCD01003540_SB0057_LP0097 [0,0,1,1,0,0|1,0,0]=3 61 B25R3.38043349 CC(C)[C@H]1CN(CCN1c2ncnc3c2cn[nH]3)C(=O)CC#N WXDL_WXCD01003540_SB0057_PY0172 [0,0,1,1,0,0|1,0,0]=3 62 B25R3.38043349 CC(C)[C@H]1CN(CCN1c2ncnc3c2scc3)C(=O)CC#N WXDL_WXCD01003540_SB0057_LP0180 [0,0,1,1,0,0|2,0,0]=4 63 B25R3.38043349 CC(C)[C@H]1CN(CCN1c2ncnn3c2ccc3)C(=O)CC#N WXDL_WXCD01003540_SB0057_LP3349 [0,0,1,1,0,0|2,0,0]=4 64 B25R3.38043349 CCCC(=O)N1CCN([C@H](C1)C(C)C)c2ncnc3c2cc[nH]3 WXDL_WXCD01003540_SB0073_LP0055 [0,0,1,1,0,0|1,0,1]=4 65 B25R3.38043349 COCC(=O)N1CCN([C@H](C1)C(C)C)c2ncnc3c2cc[nH]3 WXDL_WXCD01003540_SB0090_LP0055 [0,0,1,1,0,0|2,0,0]=4 66 B25R3.38043349 CSCC(=O)N1CCN([C@H](C1)C(C)C)c2ncnc3c2cc[nH]3 WXDL_WXCD01003540_SB1267_LP0055 [0,0,1,1,0,0|2,0,0]=4 67 B25R3.37299120 C#CCC(=O)N1CCC(CC1)CN(C)c2ncnc3c2cc[nH]3 WXDL_WXCD01003904_SB3070_LP0055 [0,0,1,1,0,0|1,0,0]=3 68 B25R3.37299120 C#CCC(=O)N1CCC(CC1)CN(C)c2ncnc3c2cco3 WXDL_WXCD01003904_SB3070_LP0417 [0,0,1,1,0,0|2,0,0]=4 69 B25R3.37299120 C#CCC(=O)N1CCC(CC1)CN(C)c2ncnc3c2ccs3 WXDL_WXCD01003904_SB3070_LP0097 [0,0,1,1,0,0|2,0,0]=4 70 B25R3.37299120 C#CCC(=O)N1CCC(CC1)CN(C)c2ncnc3c2cn[nH]3 WXDL_WXCD01003904_SB3070_PY0172 [0,0,1,1,0,0|2,0,0]=4 71 B25R3.37299120 C=CCC(=O)N1CCC(CC1)CN(C)c2ncnc3c2cc[nH]3 WXDL_WXCD01003904_SB2732_LP0055 [0,0,1,1,0,0|1,0,1]=4 72 B25R3.37299120 CC#CC(=O)N1CCC(CC1)CN(C)c2ncnc3c2cc[nH]3 WXDL_WXCD01003904_SB1240_LP0055 [0,0,1,1,0,0|1,0,1]=4 73 B25R3.37299120 CCCC(=O)N1CCC(CC1)CN(C)c2ncnc3c2cc[nH]3 WXDL_WXCD01003904_SB0073_LP0055 [0,0,1,1,0,0|1,0,1]=4 74 B25R3.37299120 CN(CC1CCN(CC1)C(=O)CC#N)c2ncnc3c2[nH]cc3 WXDL_WXCD01003904_SB0057_LP0194 [0,0,1,1,0,0|2,0,0]=4 75 B25R3.37299120 CN(CC1CCN(CC1)C(=O)CC#N)c2ncnc3c2cc[nH]3 WXDL_WXCD01003904_SB0057_LP0055 [0,0,1,1,0,0|0,0,0]=2 76 B25R3.37299120 CN(CC1CCN(CC1)C(=O)CC#N)c2ncnc3c2cco3 WXDL_WXCD01003904_SB0057_LP0417 [0,0,1,1,0,0|1,0,0]=3 77 B25R3.37299120 CN(CC1CCN(CC1)C(=O)CC#N)c2ncnc3c2ccs3 WXDL_WXCD01003904_SB0057_LP0097 [0,0,1,1,0,0|1,0,0]=3 78 B25R3.37299120 CN(CC1CCN(CC1)C(=O)CC#N)c2ncnc3c2cn[nH]3 WXDL_WXCD01003904_SB0057_PY0172 [0,0,1,1,0,0|1,0,0]=3 79 B25R3.37299120 CN(CC1CCN(CC1)C(=O)CC#N)c2ncnc3c2scc3 WXDL_WXCD01003904_SB0057_LP0180 [0,0,1,1,0,0|2,0,0]=4 80 B25R3.37299120 CN(CC1CCN(CC1)C(=O)CC#N)c2ncnn3c2ccc3 WXDL_WXCD01003904_SB0057_LP3349 [0,0,1,1,0,0|2,0,0]=4 81 B25R3.37299120 COCC(=O)N1CCC(CC1)CN(C)c2ncnc3c2cc[nH]3 WXDL_WXCD01003904_SB0090_LP0055 [0,0,1,1,0,0|2,0,0]=4 82 B25R3.37299120 CSCC(=O)N1CCC(CC1)CN(C)c2ncnc3c2cc[nH]3 WXDL_WXCD01003904_SB1267_LP0055 [0,0,1,1,0,0|2,0,0]=4 83 B25R4.464367421 C#CCC(=O)N1CC2CCC1CN2c3ncnc4c3cc[nH]4 WXDL_WXCD00120062_LP0055_SB3070 [1,0,0,1,0,0|1,0,0]=3 84 B25R4.464367421 C#CCC(=O)N1CC2CCC1CN2c3ncnc4c3cc[nH]4 WXDL_WXCD00120062_SB3070_LP0055 [1,0,0,1,0,0|1,0,0]=3 85 B25R4.464367421 C#CCC(=O)N1CC2CCC1CN2c3ncnc4c3cco4 WXDL_WXCD00120062_LP0417_SB3070 [1,0,0,1,0,0|2,0,0]=4 86 B25R4.464367421 C#CCC(=O)N1CC2CCC1CN2c3ncnc4c3cco4 WXDL_WXCD00120062_SB3070_LP0417 [1,0,0,1,0,0|2,0,0]=4 87 B25R4.464367421 C#CCC(=O)N1CC2CCC1CN2c3ncnc4c3ccs4 WXDL_WXCD00120062_LP0097_SB3070 [1,0,0,1,0,0|2,0,0]=4 88 B25R4.464367421 C#CCC(=O)N1CC2CCC1CN2c3ncnc4c3ccs4 WXDL_WXCD00120062_SB3070_LP0097 [1,0,0,1,0,0|2,0,0]=4 89 B25R4.464367421 C#CCC(=O)N1CC2CCC1CN2c3ncnc4c3cn[nH]4 WXDL_WXCD00120062_PY0172_SB3070 [1,0,0,1,0,0|2,0,0]=4 90 B25R4.464367421 C#CCC(=O)N1CC2CCC1CN2c3ncnc4c3cn[nH]4 WXDL_WXCD00120062_SB3070_PY0172 [1,0,0,1,0,0|2,0,0]=4 91 B25R4.464367421 C=CCC(=O)N1CC2CCC1CN2c3ncnc4c3cc[nH]4 WXDL_WXCD00120062_LP0055_SB2732 [1,0,0,1,0,0|1,0,1]=4 92 B25R4.464367421 C=CCC(=O)N1CC2CCC1CN2c3ncnc4c3cc[nH]4 WXDL_WXCD00120062_SB2732_LP0055 [1,0,0,1,0,0|1,0,1]=4 93 B25R4.464367421 CC#CC(=O)N1CC2CCC1CN2c3ncnc4c3cc[nH]4 WXDL_WXCD00120062_LP0055_SB1240 [1,0,0,1,0,0|1,0,1]=4 94 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C=CCC(=O)N1C[C@@H]([C@H](C1)Nc2ncnc3c2cc[nH]3)C WXDL_WXCD00198428_SB2732_LP0055 [1,0,0,0,1,0|1,0,1]=4 172 B23R3.21393167 C=CCC(=O)N1C[C@H]([C@H](C1)Nc2ncnc3c2cc[nH]3)C WXDL_WXCD00261668_SB2732_LP0055 [1,0,0,0,1,0|1,0,1]=4 173 B23R3.21393167 CC#CC(=O)N1C[C@@H]([C@H](C1)Nc2ncnc3c2cc[nH]3)C WXDL_WXCD00198428_SB1240_LP0055 [1,0,0,0,1,0|1,0,1]=4 174 B23R3.21393167 CC#CC(=O)N1C[C@H]([C@H](C1)Nc2ncnc3c2cc[nH]3)C WXDL_WXCD00261668_SB1240_LP0055 [1,0,0,0,1,0|1,0,1]=4 175 B23R3.21393167 CCCC(=O)N1C[C@@H]([C@H](C1)Nc2ncnc3c2cc[nH]3)C WXDL_WXCD00198428_SB0073_LP0055 [1,0,0,0,1,0|1,0,1]=4 176 B23R3.21393167 CCCC(=O)N1C[C@H]([C@H](C1)Nc2ncnc3c2cc[nH]3)C WXDL_WXCD00261668_SB0073_LP0055 [1,0,0,0,1,0|1,0,1]=4 177 B23R3.21393167 COCC(=O)N1C[C@@H]([C@H](C1)Nc2ncnc3c2cc[nH]3)C WXDL_WXCD00198428_SB0090_LP0055 [1,0,0,0,1,0|2,0,0]=4 178 B23R3.21393167 COCC(=O)N1C[C@H]([C@H](C1)Nc2ncnc3c2cc[nH]3)C WXDL_WXCD00261668_SB0090_LP0055 [1,0,0,0,1,0|2,0,0]=4 179 B23R3.21393167 CSCC(=O)N1C[C@@H]([C@H](C1)Nc2ncnc3c2cc[nH]3)C WXDL_WXCD00198428_SB1267_LP0055 [1,0,0,0,1,0|2,0,0]=4 180 B23R3.21393167 CSCC(=O)N1C[C@H]([C@H](C1)Nc2ncnc3c2cc[nH]3)C WXDL_WXCD00261668_SB1267_LP0055 [1,0,0,0,1,0|2,0,0]=4 181 B23R3.21393167 C[C@@H]1CN(C[C@@H]1Nc2ncnc3c2[nH]cc3)C(=O)CC#N WXDL_WXCD00261668_SB0057_LP0194 [1,0,0,0,1,0|2,0,0]=4 182 B23R3.21393167 C[C@@H]1CN(C[C@@H]1Nc2ncnc3c2cc[nH]3)C(=O)CC#N WXDL_WXCD00261668_SB0057_LP0055 [1,0,0,0,1,0|0,0,0]=2 183 B23R3.21393167 C[C@@H]1CN(C[C@@H]1Nc2ncnc3c2cco3)C(=O)CC#N WXDL_WXCD00261668_SB0057_LP0417 [1,0,0,0,1,0|1,0,0]=3 184 B23R3.21393167 C[C@@H]1CN(C[C@@H]1Nc2ncnc3c2ccs3)C(=O)CC#N WXDL_WXCD00261668_SB0057_LP0097 [1,0,0,0,1,0|1,0,0]=3 185 B23R3.21393167 C[C@@H]1CN(C[C@@H]1Nc2ncnc3c2cn[nH]3)C(=O)CC#N WXDL_WXCD00261668_SB0057_PY0172 [1,0,0,0,1,0|1,0,0]=3 186 B23R3.21393167 C[C@@H]1CN(C[C@@H]1Nc2ncnc3c2scc3)C(=O)CC#N WXDL_WXCD00261668_SB0057_LP0180 [1,0,0,0,1,0|2,0,0]=4 187 B23R3.21393167 C[C@@H]1CN(C[C@@H]1Nc2ncnn3c2ccc3)C(=O)CC#N WXDL_WXCD00261668_SB0057_LP3349 [1,0,0,0,1,0|2,0,0]=4 188 B23R3.21393167 C[C@H]1CN(C[C@@H]1Nc2ncnc3c2[nH]cc3)C(=O)CC#N WXDL_WXCD00198428_SB0057_LP0194 [1,0,0,0,1,0|2,0,0]=4 189 B23R3.21393167 C[C@H]1CN(C[C@@H]1Nc2ncnc3c2cc[nH]3)C(=O)CC#N WXDL_WXCD00198428_SB0057_LP0055 [1,0,0,0,1,0|0,0,0]=2 190 B23R3.21393167 C[C@H]1CN(C[C@@H]1Nc2ncnc3c2cco3)C(=O)CC#N WXDL_WXCD00198428_SB0057_LP0417 [1,0,0,0,1,0|1,0,0]=3 191 B23R3.21393167 C[C@H]1CN(C[C@@H]1Nc2ncnc3c2ccs3)C(=O)CC#N WXDL_WXCD00198428_SB0057_LP0097 [1,0,0,0,1,0|1,0,0]=3 192 B23R3.21393167 C[C@H]1CN(C[C@@H]1Nc2ncnc3c2cn[nH]3)C(=O)CC#N WXDL_WXCD00198428_SB0057_PY0172 [1,0,0,0,1,0|1,0,0]=3 193 B23R3.21393167 C[C@H]1CN(C[C@@H]1Nc2ncnc3c2scc3)C(=O)CC#N WXDL_WXCD00198428_SB0057_LP0180 [1,0,0,0,1,0|2,0,0]=4 194 B23R3.21393167 C[C@H]1CN(C[C@@H]1Nc2ncnn3c2ccc3)C(=O)CC#N WXDL_WXCD00198428_SB0057_LP3349 [1,0,0,0,1,0|2,0,0]=4 195 B23R3.21353198 C#CCC(=O)N1CC[C@@H](C1)N(C)c2ncnc3c2cc[nH]3 WXDL_WXCD00906912_LP0055_SB3070 [1,0,0,0,1,0|1,0,0]=3 196 B23R3.21353198 C#CCC(=O)N1CC[C@@H](C1)N(C)c2ncnc3c2cco3 WXDL_WXCD00906912_LP0417_SB3070 [1,0,0,0,1,0|2,0,0]=4 197 B23R3.21353198 C#CCC(=O)N1CC[C@@H](C1)N(C)c2ncnc3c2ccs3 WXDL_WXCD00906912_LP0097_SB3070 [1,0,0,0,1,0|2,0,0]=4 198 B23R3.21353198 C#CCC(=O)N1CC[C@@H](C1)N(C)c2ncnc3c2cn[nH]3 WXDL_WXCD00906912_PY0172_SB3070 [1,0,0,0,1,0|2,0,0]=4 199 B23R3.21353198 C#CCC(=O)N1CC[C@H](C1)N(C)c2ncnc3c2cc[nH]3 WXDL_WXCD00197977_LP0055_SB3070 [1,0,0,0,1,0|1,0,0]=3 200 B23R3.21353198 C#CCC(=O)N1CC[C@H](C1)N(C)c2ncnc3c2cco3 WXDL_WXCD00197977_LP0417_SB3070 [1,0,0,0,1,0|2,0,0]=4 201 B23R3.21353198 C#CCC(=O)N1CC[C@H](C1)N(C)c2ncnc3c2ccs3 WXDL_WXCD00197977_LP0097_SB3070 [1,0,0,0,1,0|2,0,0]=4 202 B23R3.21353198 C#CCC(=O)N1CC[C@H](C1)N(C)c2ncnc3c2cn[nH]3 WXDL_WXCD00197977_PY0172_SB3070 [1,0,0,0,1,0|2,0,0]=4 203 B23R3.21353198 C=CCC(=O)N1CC[C@@H](C1)N(C)c2ncnc3c2cc[nH]3 WXDL_WXCD00906912_LP0055_SB2732 [1,0,0,0,1,0|1,0,1]=4 204 B23R3.21353198 C=CCC(=O)N1CC[C@H](C1)N(C)c2ncnc3c2cc[nH]3 WXDL_WXCD00197977_LP0055_SB2732 [1,0,0,0,1,0|1,0,1]=4 205 B23R3.21353198 CC#CC(=O)N1CC[C@@H](C1)N(C)c2ncnc3c2cc[nH]3 WXDL_WXCD00906912_LP0055_SB1240 [1,0,0,0,1,0|1,0,1]=4 206 B23R3.21353198 CC#CC(=O)N1CC[C@H](C1)N(C)c2ncnc3c2cc[nH]3 WXDL_WXCD00197977_LP0055_SB1240 [1,0,0,0,1,0|1,0,1]=4 207 B23R3.21353198 CCCC(=O)N1CC[C@@H](C1)N(C)c2ncnc3c2cc[nH]3 WXDL_WXCD00906912_LP0055_SB0073 [1,0,0,0,1,0|1,0,1]=4 208 B23R3.21353198 CCCC(=O)N1CC[C@H](C1)N(C)c2ncnc3c2cc[nH]3 WXDL_WXCD00197977_LP0055_SB0073 [1,0,0,0,1,0|1,0,1]=4 209 B23R3.21353198 CN(c1ncnc2c1[nH]cc2)[C@@H]3CCN(C3)C(=O)CC#N WXDL_WXCD00197977_LP0194_SB0057 [1,0,0,0,1,0|2,0,0]=4 210 B23R3.21353198 CN(c1ncnc2c1[nH]cc2)[C@H]3CCN(C3)C(=O)CC#N WXDL_WXCD00906912_LP0194_SB0057 [1,0,0,0,1,0|2,0,0]=4 211 B23R3.21353198 CN(c1ncnc2c1cc[nH]2)[C@@H]3CCN(C3)C(=O)CC#N WXDL_WXCD00197977_LP0055_SB0057 [1,0,0,0,1,0|0,0,0]=2 212 B23R3.21353198 CN(c1ncnc2c1cc[nH]2)[C@H]3CCN(C3)C(=O)CC#N WXDL_WXCD00906912_LP0055_SB0057 [1,0,0,0,1,0|0,0,0]=2 213 B23R3.21353198 CN(c1ncnc2c1cco2)[C@@H]3CCN(C3)C(=O)CC#N WXDL_WXCD00197977_LP0417_SB0057 [1,0,0,0,1,0|1,0,0]=3 214 B23R3.21353198 CN(c1ncnc2c1cco2)[C@H]3CCN(C3)C(=O)CC#N WXDL_WXCD00906912_LP0417_SB0057 [1,0,0,0,1,0|1,0,0]=3 215 B23R3.21353198 CN(c1ncnc2c1ccs2)[C@@H]3CCN(C3)C(=O)CC#N WXDL_WXCD00197977_LP0097_SB0057 [1,0,0,0,1,0|1,0,0]=3 216 B23R3.21353198 CN(c1ncnc2c1ccs2)[C@H]3CCN(C3)C(=O)CC#N WXDL_WXCD00906912_LP0097_SB0057 [1,0,0,0,1,0|1,0,0]=3 217 B23R3.21353198 CN(c1ncnc2c1cn[nH]2)[C@@H]3CCN(C3)C(=O)CC#N WXDL_WXCD00197977_PY0172_SB0057 [1,0,0,0,1,0|1,0,0]=3 218 B23R3.21353198 CN(c1ncnc2c1cn[nH]2)[C@H]3CCN(C3)C(=O)CC#N WXDL_WXCD00906912_PY0172_SB0057 [1,0,0,0,1,0|1,0,0]=3 219 B23R3.21353198 CN(c1ncnc2c1scc2)[C@@H]3CCN(C3)C(=O)CC#N WXDL_WXCD00197977_LP0180_SB0057 [1,0,0,0,1,0|2,0,0]=4 220 B23R3.21353198 CN(c1ncnc2c1scc2)[C@H]3CCN(C3)C(=O)CC#N WXDL_WXCD00906912_LP0180_SB0057 [1,0,0,0,1,0|2,0,0]=4 221 B23R3.21353198 CN(c1ncnn2c1ccc2)[C@@H]3CCN(C3)C(=O)CC#N WXDL_WXCD00197977_LP3349_SB0057 [1,0,0,0,1,0|2,0,0]=4 222 B23R3.21353198 CN(c1ncnn2c1ccc2)[C@H]3CCN(C3)C(=O)CC#N WXDL_WXCD00906912_LP3349_SB0057 [1,0,0,0,1,0|2,0,0]=4 223 B23R3.21353198 COCC(=O)N1CC[C@@H](C1)N(C)c2ncnc3c2cc[nH]3 WXDL_WXCD00906912_LP0055_SB0090 [1,0,0,0,1,0|2,0,0]=4 224 B23R3.21353198 COCC(=O)N1CC[C@H](C1)N(C)c2ncnc3c2cc[nH]3 WXDL_WXCD00197977_LP0055_SB0090 [1,0,0,0,1,0|2,0,0]=4 225 B23R3.21353198 CSCC(=O)N1CC[C@@H](C1)N(C)c2ncnc3c2cc[nH]3 WXDL_WXCD00906912_LP0055_SB1267 [1,0,0,0,1,0|2,0,0]=4 226 B23R3.21353198 CSCC(=O)N1CC[C@H](C1)N(C)c2ncnc3c2cc[nH]3 WXDL_WXCD00197977_LP0055_SB1267 [1,0,0,0,1,0|2,0,0]=4 227 B25R3.103165 N#CCC(=O)N1CC[C@@H]([C@H](C1)Nc2ncnc3c2cccc3)F WXDL_WXCD00230381_SB0057_LP0257 [1,0,0,0,0,1|2,0,0]=4 228 B25R3.103165 N#CCC(=O)N1CC[C@@H]([C@H](C1)Nc2ncnc3c2ccnc3)F WXDL_WXCD00230381_SB0057_LP0471 [1,0,0,0,0,1|1,0,1]=4 229 B25R3.103165 N#CCC(=O)N1CC[C@@H]([C@H](C1)Nc2ncnc3c2nccc3)F WXDL_WXCD00230381_SB0057_LP0411 [1,0,0,0,0,1|2,0,0]=4 230 B25R3.37470225 C#CCC(=O)N1CCCC(C1)CN(C)c2ncnc3c2cc[nH]3 WXDL_WXCD02012265_SB3070_LP0055 [1,0,0,0,0,1|1,0,0]=3 231 B25R3.37470225 C#CCC(=O)N1CCCC(C1)CN(C)c2ncnc3c2cco3 WXDL_WXCD02012265_SB3070_LP0417 [1,0,0,0,0,1|2,0,0]=4 232 B25R3.37470225 C#CCC(=O)N1CCCC(C1)CN(C)c2ncnc3c2ccs3 WXDL_WXCD02012265_SB3070_LP0097 [1,0,0,0,0,1|2,0,0]=4 233 B25R3.37470225 C#CCC(=O)N1CCCC(C1)CN(C)c2ncnc3c2cn[nH]3 WXDL_WXCD02012265_SB3070_PY0172 [1,0,0,0,0,1|2,0,0]=4 234 B25R3.37470225 C=CCC(=O)N1CCCC(C1)CN(C)c2ncnc3c2cc[nH]3 WXDL_WXCD02012265_SB2732_LP0055 [1,0,0,0,0,1|1,0,1]=4 235 B25R3.37470225 CC#CC(=O)N1CCCC(C1)CN(C)c2ncnc3c2cc[nH]3 WXDL_WXCD02012265_SB1240_LP0055 [1,0,0,0,0,1|1,0,1]=4 236 B25R3.37470225 CCCC(=O)N1CCCC(C1)CN(C)c2ncnc3c2cc[nH]3 WXDL_WXCD02012265_SB0073_LP0055 [1,0,0,0,0,1|1,0,1]=4 237 B25R3.37470225 CN(CC1CCCN(C1)C(=O)CC#N)c2ncnc3c2[nH]cc3 WXDL_WXCD02012265_SB0057_LP0194 [1,0,0,0,0,1|2,0,0]=4 238 B25R3.37470225 CN(CC1CCCN(C1)C(=O)CC#N)c2ncnc3c2cc[nH]3 WXDL_WXCD02012265_SB0057_LP0055 [1,0,0,0,0,1|0,0,0]=2 239 B25R3.37470225 CN(CC1CCCN(C1)C(=O)CC#N)c2ncnc3c2cco3 WXDL_WXCD02012265_SB0057_LP0417 [1,0,0,0,0,1|1,0,0]=3 240 B25R3.37470225 CN(CC1CCCN(C1)C(=O)CC#N)c2ncnc3c2ccs3 WXDL_WXCD02012265_SB0057_LP0097 [1,0,0,0,0,1|1,0,0]=3 241 B25R3.37470225 CN(CC1CCCN(C1)C(=O)CC#N)c2ncnc3c2cn[nH]3 WXDL_WXCD02012265_SB0057_PY0172 [1,0,0,0,0,1|1,0,0]=3 242 B25R3.37470225 CN(CC1CCCN(C1)C(=O)CC#N)c2ncnc3c2scc3 WXDL_WXCD02012265_SB0057_LP0180 [1,0,0,0,0,1|2,0,0]=4 243 B25R3.37470225 CN(CC1CCCN(C1)C(=O)CC#N)c2ncnn3c2ccc3 WXDL_WXCD02012265_SB0057_LP3349 [1,0,0,0,0,1|2,0,0]=4 244 B25R3.37470225 COCC(=O)N1CCCC(C1)CN(C)c2ncnc3c2cc[nH]3 WXDL_WXCD02012265_SB0090_LP0055 [1,0,0,0,0,1|2,0,0]=4 245 B25R3.37470225 CSCC(=O)N1CCCC(C1)CN(C)c2ncnc3c2cc[nH]3 WXDL_WXCD02012265_SB1267_LP0055 [1,0,0,0,0,1|2,0,0]=4