0 B17R2.429189 C=C(C)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0761LP0102 [0,0,0,0,0,0|1,0,2]=3 1 B17R2.429189 C=C(C)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0761LP0102 [0,0,0,0,0,0|1,0,2]=3 2 B17R2.429189 CC(C)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00544LP0102 [0,0,0,0,0,0|1,0,0]=1 3 B17R2.429189 CC(C)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00544LP0102 [0,0,0,0,0,0|1,0,0]=1 4 B17R2.429189 CC(O)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0052LP0102 [0,0,0,0,0,0|2,0,0]=2 5 B17R2.429189 CC(O)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0052LP0102 [0,0,0,0,0,0|2,0,0]=2 6 B17R2.429189 C[C@H](O)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0113LP0102 [0,0,0,0,0,0|2,0,0]=2 7 B17R2.429189 C[C@H](O)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0113LP0102 [0,0,0,0,0,0|2,0,0]=2 8 B17R2.429189 N#Cc1c[nH]c2c1c(ncn2)NCC(=O)N WXVL_AK0147LP0102 [0,0,0,0,0,0|3,0,1]=4 9 B17R2.429189 N#Cc1c[nH]c2c1c(ncn2)NCC(=O)N WXVL_AK0147LP0102 [0,0,0,0,0,0|3,0,1]=4 10 B17R2.429189 N#Cc1c[nH]c2c1c(ncn2)NCC(F)F WXVL_AK0136LP0102 [0,0,0,0,0,0|3,0,0]=3 11 B17R2.429189 N#Cc1c[nH]c2c1c(ncn2)NCC(F)F WXVL_AK0136LP0102 [0,0,0,0,0,0|3,0,0]=3 12 B16R2.32148 C=CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00561LP0102 [1,0,0,0,0,0|1,0,2]=4 13 B16R2.32148 C=CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00561LP0102 [1,0,0,0,0,0|1,0,2]=4 14 B16R2.32148 CCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00504LP0102 [1,0,0,0,0,0|1,0,0]=2 15 B16R2.32148 CCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00504LP0102 [1,0,0,0,0,0|1,0,0]=2 16 B16R2.32148 N#CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0683LP0102 [1,0,0,0,0,0|2,0,1]=4 17 B16R2.32148 N#CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0683LP0102 [1,0,0,0,0,0|2,0,1]=4 18 B16R2.32148 N#Cc1c[nH]c2c1c(ncn2)NCCF WXVL_AK00466LP0102 [1,0,0,0,0,0|2,0,0]=3 19 B16R2.32148 N#Cc1c[nH]c2c1c(ncn2)NCCF WXVL_AK00466LP0102 [1,0,0,0,0,0|2,0,0]=3 20 B16R2.97896 CC(C)CNc1ncnc2c1c(c[nH]2)I WXVL_AK00544LR0005 [1,0,0,0,0,0|2,0,0]=3 21 B16R2.97896 CC(C)CNc1ncnc2c1c(c[nH]2)I WXVL_AK00544LR0005 [1,0,0,0,0,0|2,0,0]=3 22 B16R2.97896 CC(C)CNc1ncnc2c1c(cs2)Br WXVL_AK00544LR0445 [1,0,0,0,0,0|3,0,0]=4 23 B16R2.97896 CC(C)CNc1ncnc2c1c(n[nH]2)I WXVL_AK00544PY1247 [1,0,0,0,0,0|3,0,0]=4 24 B16R2.97896 CC(C)CNc1ncnc2c1c(n[nH]2)I WXVL_AK00544PY1247 [1,0,0,0,0,0|3,0,0]=4 25 B16R2.97896 CC(O)CNc1ncnc2c1c(c[nH]2)I WXVL_AK0052LR0005 [1,0,0,0,0,0|3,0,0]=4 26 B16R2.97896 CC(O)CNc1ncnc2c1c(c[nH]2)I WXVL_AK0052LR0005 [1,0,0,0,0,0|3,0,0]=4 27 B16R2.97896 C[C@H](O)CNc1ncnc2c1c(c[nH]2)I WXVL_AK0113LR0005 [1,0,0,0,0,0|3,0,0]=4 28 B16R2.97896 C[C@H](O)CNc1ncnc2c1c(c[nH]2)I WXVL_AK0113LR0005 [1,0,0,0,0,0|3,0,0]=4 29 B16R2.97896 Cc1c[nH]c2c1c(ncn2)NCC(C)C WXVL_AK00544LP0065 [1,0,0,0,0,0|1,0,1]=3 30 B16R2.97896 Cc1c[nH]c2c1c(ncn2)NCC(C)C WXVL_AK00544LP0065 [1,0,0,0,0,0|1,0,1]=3 31 B16R2.97896 Cc1c[nH]c2c1c(ncn2)NCC(C)O WXVL_AK0052LP0065 [1,0,0,0,0,0|2,0,1]=4 32 B16R2.97896 Cc1c[nH]c2c1c(ncn2)NCC(C)O WXVL_AK0052LP0065 [1,0,0,0,0,0|2,0,1]=4 33 B16R2.97896 Cc1c[nH]c2c1c(ncn2)NC[C@H](C)O WXVL_AK0113LP0065 [1,0,0,0,0,0|2,0,1]=4 34 B16R2.97896 Cc1c[nH]c2c1c(ncn2)NC[C@H](C)O WXVL_AK0113LP0065 [1,0,0,0,0,0|2,0,1]=4 35 B16R2.97896 Cc1csc2c1c(ncn2)NCC(C)C WXVL_AK00544LP0115 [1,0,0,0,0,0|2,0,1]=4 36 B16R2.97896 Cc1csc2c1c(ncn2)NCC(C)C WXVL_AK00544LP0115 [1,0,0,0,0,0|2,0,1]=4 37 B18R2.859146 CNC(=O)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK1222LP0102 [0,1,0,0,0,0|2,0,1]=4 38 B18R2.859146 CNC(=O)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK1222LP0102 [0,1,0,0,0,0|2,0,1]=4 39 B18R2.859146 CO[C@H](C)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00704LP0102 [0,1,0,0,0,0|1,0,0]=2 40 B18R2.859146 CO[C@H](C)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00704LP0102 [0,1,0,0,0,0|1,0,0]=2 41 B18R2.859146 N#Cc1c[nH]c2c1c(ncn2)NC[C@@H](F)CO WXVL_AK00590LP0102 [0,1,0,0,0,0|2,0,0]=3 42 B18R2.859146 N#Cc1c[nH]c2c1c(ncn2)NC[C@@H](F)CO WXVL_AK00590LP0102 [0,1,0,0,0,0|2,0,0]=3 43 B18R2.859146 N#Cc1c[nH]c2c1c(ncn2)NC[C@H](O)CO WXVL_AK00483LP0102 [0,1,0,0,0,0|2,0,0]=3 44 B18R2.859146 N#Cc1c[nH]c2c1c(ncn2)NC[C@H](O)CO WXVL_AK00483LP0102 [0,1,0,0,0,0|2,0,0]=3 45 B18R2.2140285 CC(C)(C)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00655LP0102 [0,1,0,0,0,0|1,0,0]=2 46 B18R2.2140285 CC(C)(C)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00655LP0102 [0,1,0,0,0,0|1,0,0]=2 47 B18R2.2140285 CC(C)(F)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00660LP0102 [0,1,0,0,0,0|1,0,0]=2 48 B18R2.2140285 CC(C)(F)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00660LP0102 [0,1,0,0,0,0|1,0,0]=2 49 B18R2.2140285 CC(C)(O)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0490LP0102 [0,1,0,0,0,0|1,0,0]=2 50 B18R2.2140285 CC(C)(O)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0490LP0102 [0,1,0,0,0,0|1,0,0]=2 51 B18R2.2140285 CC(F)(F)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0308LP0102 [0,1,0,0,0,0|2,0,0]=3 52 B18R2.2140285 CC(F)(F)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0308LP0102 [0,1,0,0,0,0|2,0,0]=3 53 B18R2.2140285 N#Cc1c[nH]c2c1c(ncn2)NCC(F)(F)F WXVL_AK00033LP0102 [0,1,0,0,0,0|3,0,0]=4 54 B18R2.2140285 N#Cc1c[nH]c2c1c(ncn2)NCC(F)(F)F WXVL_AK00033LP0102 [0,1,0,0,0,0|3,0,0]=4 55 B18R3.1381235 CC1CN(C1)c2ncnc3c2c(c[nH]3)C#N WXVL_AN0291LP0102 [0,0,0,1,0,0|1,0,0]=2 56 B18R3.1381235 CC1CN(C1)c2ncnc3c2c(c[nH]3)C#N WXVL_AN0291LP0102 [0,0,0,1,0,0|1,0,0]=2 57 B18R3.1381235 N#Cc1c[nH]c2c1c(ncn2)N3CC(C3)O WXVL_AN0284LP0102 [0,0,0,1,0,0|2,0,0]=3 58 B18R3.1381235 N#Cc1c[nH]c2c1c(ncn2)N3CC(C3)O WXVL_AN0284LP0102 [0,0,0,1,0,0|2,0,0]=3 59 B16R2.203346 CC(C)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK0030LP0102 [0,0,0,0,1,0|1,0,0]=2 60 B16R2.203346 CC(C)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK0030LP0102 [0,0,0,0,1,0|1,0,0]=2 61 B18R2.859145 CC(C)CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0068LP0102 [0,0,0,0,0,1|1,0,0]=2 62 B18R2.859145 CC(C)CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0068LP0102 [0,0,0,0,0,1|1,0,0]=2 63 B18R2.859145 CN(C)CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0058LP0102 [0,0,0,0,0,1|2,0,0]=3 64 B18R2.859145 CN(C)CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0058LP0102 [0,0,0,0,0,1|2,0,0]=3 65 B15R2.1454 CCCNc1ncnc2c1c(c[nH]2)C WXVL_AK00504LP0065 [2,0,0,0,0,0|1,0,1]=4 66 B15R2.1454 CCCNc1ncnc2c1c(c[nH]2)C WXVL_AK00504LP0065 [2,0,0,0,0,0|1,0,1]=4 67 B15R2.1454 CCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00504LR0005 [2,0,0,0,0,0|2,0,0]=4 68 B15R2.1454 CCCNc1ncnc2c1c(c[nH]2)I WXVL_AK00504LR0005 [2,0,0,0,0,0|2,0,0]=4 69 B15R2.11987 CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00476LP0102 [2,0,0,0,0,0|1,0,0]=3 70 B15R2.11987 CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00476LP0102 [2,0,0,0,0,0|1,0,0]=3 71 B15R2.19753 CC(C)CNc1ncnc2c1cc[nH]2 WXVL_AK00544LP0055 [2,0,0,0,0,0|1,0,0]=3 72 B15R2.19753 CC(C)CNc1ncnc2c1cc[nH]2 WXVL_AK00544LP0055 [2,0,0,0,0,0|1,0,0]=3 73 B15R2.19753 CC(C)CNc1ncnc2c1cco2 WXVL_AK00544LP0417 [2,0,0,0,0,0|2,0,0]=4 74 B15R2.19753 CC(C)CNc1ncnc2c1cco2 WXVL_AK00544LP0417 [2,0,0,0,0,0|2,0,0]=4 75 B15R2.19753 CC(C)CNc1ncnc2c1ccs2 WXVL_AK00544LP0097 [2,0,0,0,0,0|2,0,0]=4 76 B15R2.19753 CC(C)CNc1ncnc2c1ccs2 WXVL_AK00544LP0097 [2,0,0,0,0,0|2,0,0]=4 77 B15R2.19753 CC(C)CNc1ncnc2c1cn[nH]2 WXVL_AK00544PY0172 [2,0,0,0,0,0|2,0,0]=4 78 B15R2.19753 CC(C)CNc1ncnc2c1cn[nH]2 WXVL_AK00544PY0172 [2,0,0,0,0,0|2,0,0]=4 79 B15R2.19753 CC(O)CNc1ncnc2c1cc[nH]2 WXVL_AK0052LP0055 [2,0,0,0,0,0|2,0,0]=4 80 B15R2.19753 CC(O)CNc1ncnc2c1cc[nH]2 WXVL_AK0052LP0055 [2,0,0,0,0,0|2,0,0]=4 81 B15R2.19753 C[C@H](O)CNc1ncnc2c1cc[nH]2 WXVL_AK0113LP0055 [2,0,0,0,0,0|2,0,0]=4 82 B15R2.19753 C[C@H](O)CNc1ncnc2c1cc[nH]2 WXVL_AK0113LP0055 [2,0,0,0,0,0|2,0,0]=4 83 B17R2.86762 C#CCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK3109LP0102 [1,1,0,0,0,0|1,0,1]=4 84 B17R2.86762 C#CCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK3109LP0102 [1,1,0,0,0,0|1,0,1]=4 85 B17R2.86762 C=CCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00138LP0102 [1,1,0,0,0,0|1,0,1]=4 86 B17R2.86762 C=CCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00138LP0102 [1,1,0,0,0,0|1,0,1]=4 87 B17R2.86762 CCCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00588LP0102 [1,1,0,0,0,0|1,0,0]=3 88 B17R2.86762 CCCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00588LP0102 [1,1,0,0,0,0|1,0,0]=3 89 B17R2.86762 CSCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00440LP0102 [1,1,0,0,0,0|1,0,0]=3 90 B17R2.86762 CSCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00440LP0102 [1,1,0,0,0,0|1,0,0]=3 91 B17R2.86762 N#CCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0087LP0102 [1,1,0,0,0,0|1,0,1]=4 92 B17R2.86762 N#CCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0087LP0102 [1,1,0,0,0,0|1,0,1]=4 93 B17R2.86762 N#Cc1c[nH]c2c1c(ncn2)NCCCO WXVL_AK0073LP0102 [1,1,0,0,0,0|1,0,0]=3 94 B17R2.86762 N#Cc1c[nH]c2c1c(ncn2)NCCCO WXVL_AK0073LP0102 [1,1,0,0,0,0|1,0,0]=3 95 B17R2.325128 CN(CCO)c1ncnc2c1c(c[nH]2)C#N WXVL_AN2670LP0102 [1,1,0,0,0,0|2,0,0]=4 96 B17R2.325128 CN(CCO)c1ncnc2c1c(c[nH]2)C#N WXVL_AN2670LP0102 [1,1,0,0,0,0|2,0,0]=4 97 B17R2.429383 CC[C@H](C)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK00678LP0102 [1,1,0,0,0,0|1,0,0]=3 98 B17R2.429383 CC[C@H](C)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK00678LP0102 [1,1,0,0,0,0|1,0,0]=3 99 B17R2.429383 C[C@@H](CF)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK00558LP0102 [1,1,0,0,0,0|2,0,0]=4 100 B17R2.429383 C[C@@H](CF)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK00558LP0102 [1,1,0,0,0,0|2,0,0]=4 101 B17R2.429383 C[C@@H](CO)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK0109LP0102 [1,1,0,0,0,0|2,0,0]=4 102 B17R2.429383 C[C@@H](CO)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK0109LP0102 [1,1,0,0,0,0|2,0,0]=4 103 B17R2.57658 CO[C@H](C)CNc1ncnc2c1c(c[nH]2)C WXVL_AK00704LP0065 [1,1,0,0,0,0|1,0,1]=4 104 B17R2.57658 CO[C@H](C)CNc1ncnc2c1c(c[nH]2)C WXVL_AK00704LP0065 [1,1,0,0,0,0|1,0,1]=4 105 B17R2.57658 CO[C@H](C)CNc1ncnc2c1c(c[nH]2)I WXVL_AK00704LR0005 [1,1,0,0,0,0|2,0,0]=4 106 B17R2.57658 CO[C@H](C)CNc1ncnc2c1c(c[nH]2)I WXVL_AK00704LR0005 [1,1,0,0,0,0|2,0,0]=4 107 B17R2.197154 CC(C)CNc1ncnc2c1c(cn2C)Br WXVL_AK00544LP3354 [1,1,0,0,0,0|2,0,0]=4 108 B17R2.197154 CC(C)CNc1ncnc2c1c(cn2C)Br WXVL_AK00544LP3354 [1,1,0,0,0,0|2,0,0]=4 109 B17R2.792112 CC(C)(C)CNc1ncnc2c1c(c[nH]2)I WXVL_AK00655LR0005 [1,1,0,0,0,0|2,0,0]=4 110 B17R2.792112 CC(C)(C)CNc1ncnc2c1c(c[nH]2)I WXVL_AK00655LR0005 [1,1,0,0,0,0|2,0,0]=4 111 B17R2.792112 CC(C)(F)CNc1ncnc2c1c(c[nH]2)I WXVL_AK00660LR0005 [1,1,0,0,0,0|2,0,0]=4 112 B17R2.792112 CC(C)(F)CNc1ncnc2c1c(c[nH]2)I WXVL_AK00660LR0005 [1,1,0,0,0,0|2,0,0]=4 113 B17R2.792112 CC(C)(O)CNc1ncnc2c1c(c[nH]2)I WXVL_AK0490LR0005 [1,1,0,0,0,0|2,0,0]=4 114 B17R2.792112 CC(C)(O)CNc1ncnc2c1c(c[nH]2)I WXVL_AK0490LR0005 [1,1,0,0,0,0|2,0,0]=4 115 B17R2.792112 Cc1c[nH]c2c1c(ncn2)NCC(C)(C)C WXVL_AK00655LP0065 [1,1,0,0,0,0|1,0,1]=4 116 B17R2.792112 Cc1c[nH]c2c1c(ncn2)NCC(C)(C)C WXVL_AK00655LP0065 [1,1,0,0,0,0|1,0,1]=4 117 B17R2.792112 Cc1c[nH]c2c1c(ncn2)NCC(C)(C)F WXVL_AK00660LP0065 [1,1,0,0,0,0|1,0,1]=4 118 B17R2.792112 Cc1c[nH]c2c1c(ncn2)NCC(C)(C)F WXVL_AK00660LP0065 [1,1,0,0,0,0|1,0,1]=4 119 B17R2.792112 Cc1c[nH]c2c1c(ncn2)NCC(C)(C)O WXVL_AK0490LP0065 [1,1,0,0,0,0|1,0,1]=4 120 B17R2.792112 Cc1c[nH]c2c1c(ncn2)NCC(C)(C)O WXVL_AK0490LP0065 [1,1,0,0,0,0|1,0,1]=4 121 B17R2.429188 CC(C)N(C)c1ncnc2c1c(c[nH]2)C#N WXVL_AN0073LP0102 [0,1,0,0,1,0|1,0,0]=3 122 B17R2.429188 CC(C)N(C)c1ncnc2c1c(c[nH]2)C#N WXVL_AN0073LP0102 [0,1,0,0,1,0|1,0,0]=3 123 B17R2.429382 CC(C)(C)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK0024LP0102 [0,1,0,0,1,0|1,0,0]=3 124 B17R2.429382 CC(C)(C)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK0024LP0102 [0,1,0,0,1,0|1,0,0]=3 125 B19R2.1629747 CC(C)(O)CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK1558LP0102 [0,1,0,0,0,1|1,0,0]=3 126 B19R2.1629747 CC(C)(O)CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK1558LP0102 [0,1,0,0,0,1|1,0,0]=3 127 B19R2.1629751 CN(C)CCN(C)c1ncnc2c1c(c[nH]2)C#N WXVL_AN0052LP0102 [0,1,0,0,0,1|2,0,0]=4 128 B19R2.1629751 CN(C)CCN(C)c1ncnc2c1c(c[nH]2)C#N WXVL_AN0052LP0102 [0,1,0,0,0,1|2,0,0]=4 129 B19R2.2694573 CC(CO)CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK4143LP0102 [0,1,0,0,0,1|1,0,0]=3 130 B19R2.2694573 CC(CO)CCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK4143LP0102 [0,1,0,0,0,1|1,0,0]=3 131 B19R2.2694574 CN(C)C(=O)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00415LP0102 [0,1,0,0,0,1|2,0,0]=4 132 B19R2.2694574 CN(C)C(=O)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK00415LP0102 [0,1,0,0,0,1|2,0,0]=4 133 B19R2.2694607 CC(CN(C)C)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK0938LP0102 [0,1,0,0,0,1|2,0,0]=4 134 B19R2.2694607 CC(CN(C)C)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK0938LP0102 [0,1,0,0,0,1|2,0,0]=4 135 B19R2.2694609 CC(C)C(CO)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK0106LP0102 [0,2,0,0,0,0|1,0,0]=3 136 B19R2.2694609 CC(C)C(CO)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK0106LP0102 [0,2,0,0,0,0|1,0,0]=3 137 B19R2.2694609 CC[C@H](Nc1ncnc2c1c(c[nH]2)C#N)[C@@H](C)O WXVL_AK00602LP0102 [0,2,0,0,0,0|2,0,0]=4 138 B19R2.2694609 CC[C@H](Nc1ncnc2c1c(c[nH]2)C#N)[C@@H](C)O WXVL_AK00602LP0102 [0,2,0,0,0,0|2,0,0]=4 139 B19R2.2694609 C[C@@H](O)[C@@H](CO)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK0126LP0102 [0,2,0,0,0,0|2,0,0]=4 140 B19R2.2694609 C[C@@H](O)[C@@H](CO)Nc1ncnc2c1c(c[nH]2)C#N WXVL_AK0126LP0102 [0,2,0,0,0,0|2,0,0]=4 141 B19R2.7572209 CC(C)(CO)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0104LP0102 [0,2,0,0,0,0|1,0,0]=3 142 B19R2.7572209 CC(C)(CO)CNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0104LP0102 [0,2,0,0,0,0|1,0,0]=3 143 B17R3.627364 N#Cc1c[nH]c2c1c(ncn2)NC3CC3 WXVL_AK0001LP0102 [1,0,0,1,0,0|1,0,0]=3 144 B17R3.627364 N#Cc1c[nH]c2c1c(ncn2)NC3CC3 WXVL_AK0001LP0102 [1,0,0,1,0,0|1,0,0]=3 145 B17R3.274314 CC1CN(C1)c2ncnc3c2c(c[nH]3)I WXVL_AN0291LR0005 [1,0,0,1,0,0|2,0,0]=4 146 B17R3.274314 CC1CN(C1)c2ncnc3c2c(c[nH]3)I WXVL_AN0291LR0005 [1,0,0,1,0,0|2,0,0]=4 147 B17R3.274314 Cc1c[nH]c2c1c(ncn2)N3CC(C3)C WXVL_AN0291LP0065 [1,0,0,1,0,0|1,0,1]=4 148 B17R3.274314 Cc1c[nH]c2c1c(ncn2)N3CC(C3)C WXVL_AN0291LP0065 [1,0,0,1,0,0|1,0,1]=4 149 B19R3.1523768 CC1CCN(C1)c2ncnc3c2c(c[nH]3)C#N WXVL_AN0556LP0102 [0,0,0,1,0,1|1,0,0]=3 150 B19R3.1523768 CC1CCN(C1)c2ncnc3c2c(c[nH]3)C#N WXVL_AN0556LP0102 [0,0,0,1,0,1|1,0,0]=3 151 B19R3.1523768 C[C@@H]1CCN(C1)c2ncnc3c2c(c[nH]3)C#N WXVL_AN00488LP0102 [0,0,0,1,0,1|1,0,0]=3 152 B19R3.1523768 C[C@@H]1CCN(C1)c2ncnc3c2c(c[nH]3)C#N WXVL_AN00488LP0102 [0,0,0,1,0,1|1,0,0]=3 153 B19R3.1523768 C[C@H]1CCN(C1)c2ncnc3c2c(c[nH]3)C#N WXVL_AN00094LP0102 [0,0,0,1,0,1|1,0,0]=3 154 B19R3.1523768 C[C@H]1CCN(C1)c2ncnc3c2c(c[nH]3)C#N WXVL_AN00094LP0102 [0,0,0,1,0,1|1,0,0]=3 155 B19R3.1523768 N#Cc1c[nH]c2c1c(ncn2)N3CCC(C3)Br WXVL_AN00715LP0102 [0,0,0,1,0,1|2,0,0]=4 156 B19R3.1523768 N#Cc1c[nH]c2c1c(ncn2)N3CCC(C3)F WXVL_AN00338LP0102 [0,0,0,1,0,1|2,0,0]=4 157 B19R3.1523768 N#Cc1c[nH]c2c1c(ncn2)N3CCC(C3)F WXVL_AN00338LP0102 [0,0,0,1,0,1|2,0,0]=4 158 B19R3.1523768 N#Cc1c[nH]c2c1c(ncn2)N3CCC(C3)O WXVL_AN0158LP0102 [0,0,0,1,0,1|2,0,0]=4 159 B19R3.1523768 N#Cc1c[nH]c2c1c(ncn2)N3CCC(C3)O WXVL_AN0158LP0102 [0,0,0,1,0,1|2,0,0]=4 160 B19R3.1523768 N#Cc1c[nH]c2c1c(ncn2)N3CC[C@@H](C3)O WXVL_AN00391LP0102 [0,0,0,1,0,1|2,0,0]=4 161 B19R3.1523768 N#Cc1c[nH]c2c1c(ncn2)N3CC[C@@H](C3)O WXVL_AN00391LP0102 [0,0,0,1,0,1|2,0,0]=4 162 B19R3.1523768 N#Cc1c[nH]c2c1c(ncn2)N3CC[C@H](C3)F WXVL_AN00035LP0102 [0,0,0,1,0,1|2,0,0]=4 163 B19R3.1523768 N#Cc1c[nH]c2c1c(ncn2)N3CC[C@H](C3)F WXVL_AN00035LP0102 [0,0,0,1,0,1|2,0,0]=4 164 B19R3.1523768 N#Cc1c[nH]c2c1c(ncn2)N3CC[C@H](C3)O WXVL_AN00543LP0102 [0,0,0,1,0,1|2,0,0]=4 165 B19R3.3575142 CC1CC(C1)Nc2ncnc3c2c(c[nH]3)C#N WXVL_AK0309LP0102 [0,0,0,1,0,1|1,0,0]=3 166 B19R3.3575142 CC1CC(C1)Nc2ncnc3c2c(c[nH]3)C#N WXVL_AK0309LP0102 [0,0,0,1,0,1|1,0,0]=3 167 B19R3.3575142 CN1CC(C1)Nc2ncnc3c2c(c[nH]3)C#N WXVL_AK1377LP0102 [0,0,0,1,0,1|2,0,0]=4 168 B19R3.3575142 CN1CC(C1)Nc2ncnc3c2c(c[nH]3)C#N WXVL_AK1377LP0102 [0,0,0,1,0,1|2,0,0]=4 169 B19R3.3575142 N#Cc1c[nH]c2c1c(ncn2)NC3CC(C3)F WXVL_AK0307LP0102 [0,0,0,1,0,1|2,0,0]=4 170 B19R3.3575142 N#Cc1c[nH]c2c1c(ncn2)NC3CC(C3)F WXVL_AK0307LP0102 [0,0,0,1,0,1|2,0,0]=4 171 B19R3.3575142 N#Cc1c[nH]c2c1c(ncn2)NC3CC(C3)O WXVL_AK0306LP0102 [0,0,0,1,0,1|2,0,0]=4 172 B19R3.3575142 N#Cc1c[nH]c2c1c(ncn2)NC3CC(C3)O WXVL_AK0306LP0102 [0,0,0,1,0,1|2,0,0]=4 173 B19R3.3575142 N#Cc1c[nH]c2c1c(ncn2)N[C@H]3C[C@H](C3)O WXVL_AK1397LP0102 [0,0,0,1,0,1|2,0,0]=4 174 B19R3.3575142 N#Cc1c[nH]c2c1c(ncn2)N[C@H]3C[C@H](C3)O WXVL_AK1397LP0102 [0,0,0,1,0,1|2,0,0]=4 175 B19R3.3575143 N#Cc1c[nH]c2c1c(ncn2)NCCC3CC3 WXVL_AK00594LP0102 [0,0,0,1,0,1|1,0,0]=3 176 B19R3.3575143 N#Cc1c[nH]c2c1c(ncn2)NCCC3CC3 WXVL_AK00594LP0102 [0,0,0,1,0,1|1,0,0]=3 177 B19R3.3580084 CC1(CN(C1)c2ncnc3c2c(c[nH]3)C#N)O WXVL_AN0497LP0102 [0,1,0,1,0,0|1,0,0]=3 178 B19R3.3580084 CC1(CN(C1)c2ncnc3c2c(c[nH]3)C#N)O WXVL_AN0497LP0102 [0,1,0,1,0,0|1,0,0]=3 179 B19R3.3580084 N#Cc1c[nH]c2c1c(ncn2)N3CC(C3)(F)F WXVL_AN0288LP0102 [0,1,0,1,0,0|2,0,0]=4 180 B19R3.3580084 N#Cc1c[nH]c2c1c(ncn2)N3CC(C3)(F)F WXVL_AN0288LP0102 [0,1,0,1,0,0|2,0,0]=4 181 B19R3.3575144 CC(Nc1ncnc2c1c(c[nH]2)C#N)C3CC3 WXVL_AK00200LP0102 [0,1,0,1,0,0|1,0,0]=3 182 B19R3.3575144 CC(Nc1ncnc2c1c(c[nH]2)C#N)C3CC3 WXVL_AK00200LP0102 [0,1,0,1,0,0|1,0,0]=3 183 B19R3.3575144 C[C@H](Nc1ncnc2c1c(c[nH]2)C#N)C3CC3 WXVL_AK0484LP0102 [0,1,0,1,0,0|1,0,0]=3 184 B19R3.3575144 C[C@H](Nc1ncnc2c1c(c[nH]2)C#N)C3CC3 WXVL_AK0484LP0102 [0,1,0,1,0,0|1,0,0]=3 185 B19R3.3575148 N#Cc1c[nH]c2c1c(ncn2)NCC3CCC3 WXVL_AK00492LP0102 [0,1,0,1,0,0|1,0,0]=3 186 B19R3.3575148 N#Cc1c[nH]c2c1c(ncn2)NCC3CCC3 WXVL_AK00492LP0102 [0,1,0,1,0,0|1,0,0]=3 187 B19R3.3575148 N#Cc1c[nH]c2c1c(ncn2)NCC3CCO3 WXVL_AK1433LP0102 [0,1,0,1,0,0|1,0,0]=3 188 B19R3.3575148 N#Cc1c[nH]c2c1c(ncn2)NCC3CCO3 WXVL_AK1433LP0102 [0,1,0,1,0,0|1,0,0]=3 189 B19R3.3575148 N#Cc1c[nH]c2c1c(ncn2)NCC3COC3 WXVL_AK0186LP0102 [0,1,0,1,0,0|1,0,0]=3 190 B19R3.3575148 N#Cc1c[nH]c2c1c(ncn2)NCC3COC3 WXVL_AK0186LP0102 [0,1,0,1,0,0|1,0,0]=3 191 B19R3.3580087 CC1(CC1)CNc2ncnc3c2c(c[nH]3)C#N WXVL_AK00811LP0102 [0,1,0,1,0,0|1,0,0]=3 192 B19R3.3580087 CC1(CC1)CNc2ncnc3c2c(c[nH]3)C#N WXVL_AK00811LP0102 [0,1,0,1,0,0|1,0,0]=3 193 B19R3.3580087 N#Cc1c[nH]c2c1c(ncn2)NCC3(CC3)O WXVL_AK0301LP0102 [0,1,0,1,0,0|1,0,0]=3 194 B19R3.3580087 N#Cc1c[nH]c2c1c(ncn2)NCC3(CC3)O WXVL_AK0301LP0102 [0,1,0,1,0,0|1,0,0]=3 195 B15R1.1180 CC(C)Oc1cc(ncn1)NCCC#N WXVL_AK0087LP0654 [0,0,1,0,1,0|0,0,2]=4 196 B15R1.1180 CC(C)Oc1cc(ncn1)NCCC#N WXVL_AK0087LP0654 [0,0,1,0,1,0|0,0,2]=4 197 B15R2.49945 CC(C)Nc1ncnc2c1c(c[nH]2)I WXVL_AK0030LR0005 [1,0,0,0,1,0|2,0,0]=4 198 B15R2.49945 CC(C)Nc1ncnc2c1c(c[nH]2)I WXVL_AK0030LR0005 [1,0,0,0,1,0|2,0,0]=4 199 B15R2.49945 Cc1c[nH]c2c1c(ncn2)NC(C)C WXVL_AK0030LP0065 [1,0,0,0,1,0|1,0,1]=4 200 B15R2.49945 Cc1c[nH]c2c1c(ncn2)NC(C)C WXVL_AK0030LP0065 [1,0,0,0,1,0|1,0,1]=4 201 B15R2.91513 CN(C)c1ncnc2c1c(c[nH]2)C#N WXVL_AN0032LP0102 [0,0,0,0,2,0|1,0,0]=3 202 B15R2.91513 CN(C)c1ncnc2c1c(c[nH]2)C#N WXVL_AN0032LP0102 [0,0,0,0,2,0|1,0,0]=3 203 B17R2.184950 CC(C)CCNc1ncnc2c1c(c[nH]2)I WXVL_AK0068LR0005 [1,0,0,0,0,1|2,0,0]=4 204 B17R2.184950 CC(C)CCNc1ncnc2c1c(c[nH]2)I WXVL_AK0068LR0005 [1,0,0,0,0,1|2,0,0]=4 205 B17R2.184950 Cc1c[nH]c2c1c(ncn2)NCCC(C)C WXVL_AK0068LP0065 [1,0,0,0,0,1|1,0,1]=4 206 B17R2.184950 Cc1c[nH]c2c1c(ncn2)NCCC(C)C WXVL_AK0068LP0065 [1,0,0,0,0,1|1,0,1]=4 207 B19R2.1629750 CC(C)OCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0128LP0102 [0,0,0,0,0,2|1,0,0]=3 208 B19R2.1629750 CC(C)OCCNc1ncnc2c1c(c[nH]2)C#N WXVL_AK0128LP0102 [0,0,0,0,0,2|1,0,0]=3