0 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C WXVL_AK0345SB0150 [0,0,0,0,0,0|0,0,0]=0 1 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C WXVL_AK0345SB0150 [0,0,0,0,0,0|0,0,0]=0 2 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C WXVL_AK00472SB0150 [1,0,0,0,0,0|0,0,0]=1 3 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C WXVL_AK00472SB0150 [1,0,0,0,0,0|0,0,0]=1 4 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl WXVL_AK00473SB0150 [1,0,0,0,0,0|1,0,0]=2 5 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl WXVL_AK00473SB0150 [1,0,0,0,0,0|1,0,0]=2 6 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)O WXVL_AK1841SB0150 [1,0,0,0,0,0|0,0,0]=1 7 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)O WXVL_AK1841SB0150 [1,0,0,0,0,0|0,0,0]=1 8 B19R2.1645485 C#CC(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345SB0338 [0,1,0,0,0,0|0,0,1]=2 9 B19R2.1645485 C#CC(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345SB0338 [0,1,0,0,0,0|0,0,1]=2 10 B19R2.1645485 CCC(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345SB0064 [0,1,0,0,0,0|0,0,0]=1 11 B19R2.1645485 CCC(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345SB0064 [0,1,0,0,0,0|0,0,0]=1 12 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CCNC(=O)CO WXVL_AK0345SB2706 [0,1,0,0,0,0|0,0,0]=1 13 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CCNC(=O)CO WXVL_AK0345SB2706 [0,1,0,0,0,0|0,0,0]=1 14 B17R2.73242 COc1ccc2[nH]cc(c2c1)/C=C/C(=O)N WXVL_AK0084SB6134 [0,0,0,0,1,0|1,0,2]=4 15 B17R2.73242 COc1ccc2[nH]cc(c2c1)/C=C/C(=O)N WXVL_AK0084SB6134 [0,0,0,0,1,0|1,0,2]=4 16 B16R2.36 CC(=O)NCCc1c[nH]c2c1cccc2 WXVL_AK0298SB0150 [2,0,0,0,0,0|0,0,0]=2 17 B16R2.36 CC(=O)NCCc1c[nH]c2c1cccc2 WXVL_AK0298SB0150 [2,0,0,0,0,0|0,0,0]=2 18 B16R2.36 CC(=O)NCCc1coc2c1cccc2 WXVL_AK2803SB0150 [2,0,0,0,0,0|1,0,0]=3 19 B16R2.36 CC(=O)NCCc1coc2c1cccc2 WXVL_AK2803SB0150 [2,0,0,0,0,0|1,0,0]=3 20 B18R1.179 CCc1ccc(cc1)NC(=O)NCCNC(=O)C WXVL_AK0057YV0051 [0,1,1,0,0,0|2,0,0]=4 21 B18R1.179 CCc1ccc(cc1)NC(=O)NCCNC(=O)C WXVL_AK0057YV0051 [0,1,1,0,0,0|2,0,0]=4 22 B18R1.179 COc1ccc(cc1)CC(=O)NCCNC(=O)C WXVL_AK0057SB0108 [0,1,1,0,0,0|2,0,0]=4 23 B18R1.179 COc1ccc(cc1)CC(=O)NCCNC(=O)C WXVL_AK0057SB0108 [0,1,1,0,0,0|2,0,0]=4 24 B18R1.179 COc1ccc(cc1)NC(=O)NCCNC(=O)C WXVL_AK0057YV0024 [0,1,1,0,0,0|1,0,0]=3 25 B18R1.179 COc1ccc(cc1)NC(=O)NCCNC(=O)C WXVL_AK0057YV0024 [0,1,1,0,0,0|1,0,0]=3 26 B18R1.179 CSc1ccc(cc1)NC(=O)NCCNC(=O)C WXVL_AK0057YV0109 [0,1,1,0,0,0|1,1,0]=4 27 B18R1.179 CSc1ccc(cc1)NC(=O)NCCNC(=O)C WXVL_AK0057YV0109 [0,1,1,0,0,0|1,1,0]=4 28 B18R1.219 COc1ccc(cc1)CNC(=O)CCNC(=O)C WXVL_AK1252SB0374 [0,1,1,0,0,0|2,0,0]=4 29 B18R1.219 COc1ccc(cc1)CNC(=O)CCNC(=O)C WXVL_AK1252SB0374 [0,1,1,0,0,0|2,0,0]=4 30 B18R2.746213 C#CC(=O)NCCc1c[nH]c2c1cc(cc2)C WXVL_AK00472SB0338 [1,1,0,0,0,0|0,0,1]=3 31 B18R2.746213 C#CC(=O)NCCc1c[nH]c2c1cc(cc2)C WXVL_AK00472SB0338 [1,1,0,0,0,0|0,0,1]=3 32 B18R2.746213 C#CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl WXVL_AK00473SB0338 [1,1,0,0,0,0|1,0,1]=4 33 B18R2.746213 C#CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl WXVL_AK00473SB0338 [1,1,0,0,0,0|1,0,1]=4 34 B18R2.746213 C#CC(=O)NCCc1c[nH]c2c1cc(cc2)O WXVL_AK1841SB0338 [1,1,0,0,0,0|0,0,1]=3 35 B18R2.746213 C#CC(=O)NCCc1c[nH]c2c1cc(cc2)O WXVL_AK1841SB0338 [1,1,0,0,0,0|0,0,1]=3 36 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)C WXVL_AK00472SB0064 [1,1,0,0,0,0|0,0,0]=2 37 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)C WXVL_AK00472SB0064 [1,1,0,0,0,0|0,0,0]=2 38 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)Cl WXVL_AK00473SB0064 [1,1,0,0,0,0|1,0,0]=3 39 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)Cl WXVL_AK00473SB0064 [1,1,0,0,0,0|1,0,0]=3 40 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)O WXVL_AK1841SB0064 [1,1,0,0,0,0|0,0,0]=2 41 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)O WXVL_AK1841SB0064 [1,1,0,0,0,0|0,0,0]=2 42 B18R2.746213 Cc1ccc2[nH]cc(c2c1)CCNC(=O)CO WXVL_AK00472SB2706 [1,1,0,0,0,0|0,0,0]=2 43 B18R2.746213 Cc1ccc2[nH]cc(c2c1)CCNC(=O)CO WXVL_AK00472SB2706 [1,1,0,0,0,0|0,0,0]=2 44 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)Cl WXVL_AK00473SB2706 [1,1,0,0,0,0|1,0,0]=3 45 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)Cl WXVL_AK00473SB2706 [1,1,0,0,0,0|1,0,0]=3 46 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)O WXVL_AK1841SB2706 [1,1,0,0,0,0|0,0,0]=2 47 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)O WXVL_AK1841SB2706 [1,1,0,0,0,0|0,0,0]=2 48 B20R2.308497 C=C(F)C(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345SB1376 [0,1,0,0,0,1|1,0,1]=4 49 B20R2.308497 C=C(F)C(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345SB1376 [0,1,0,0,0,1|1,0,1]=4 50 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(=O)C(=O)C WXVL_AK0345SB0051 [0,1,0,0,0,1|0,0,0]=2 51 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(=O)C(=O)C WXVL_AK0345SB0051 [0,1,0,0,0,1|0,0,0]=2 52 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(=O)C(=O)N WXVL_AK0345SB0128 [0,1,0,0,0,1|1,0,0]=3 53 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(=O)C(=O)N WXVL_AK0345SB0128 [0,1,0,0,0,1|1,0,0]=3 54 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(=O)C(C)C WXVL_AK0345SB0052 [0,1,0,0,0,1|1,0,1]=4 55 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(=O)C(C)C WXVL_AK0345SB0052 [0,1,0,0,0,1|1,0,1]=4 56 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(=O)C(C)S WXVL_AK0345SB2708 [0,1,0,0,0,1|0,1,1]=4 57 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(=O)C(C)S WXVL_AK0345SB2708 [0,1,0,0,0,1|0,1,1]=4 58 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(=O)[C@@H](C)O WXVL_AK0345SB1085 [0,1,0,0,0,1|0,0,2]=4 59 B20R2.308497 COc1ccc2[nH]cc(c2c1)CCNC(=O)[C@@H](C)O WXVL_AK0345SB1085 [0,1,0,0,0,1|0,0,2]=4 60 B20R2.1942118 CCS(=O)(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345HU0028 [0,2,0,0,0,0|1,0,0]=3 61 B20R2.1942118 CCS(=O)(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345HU0028 [0,2,0,0,0,0|1,0,0]=3 62 B20R2.3923228 C#CCC(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345SB3070 [0,2,0,0,0,0|0,0,0]=2 63 B20R2.3923228 C#CCC(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345SB3070 [0,2,0,0,0,0|0,0,0]=2 64 B20R2.3923228 C/C=C/C(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345SB0340 [0,2,0,0,0,0|0,0,0]=2 65 B20R2.3923228 C/C=C/C(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345SB0340 [0,2,0,0,0,0|0,0,0]=2 66 B20R2.3923228 C=CCC(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345SB2732 [0,2,0,0,0,0|0,0,0]=2 67 B20R2.3923228 C=CCC(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345SB2732 [0,2,0,0,0,0|0,0,0]=2 68 B20R2.3923228 CC#CC(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345SB1240 [0,2,0,0,0,0|0,0,0]=2 69 B20R2.3923228 CC#CC(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345SB1240 [0,2,0,0,0,0|0,0,0]=2 70 B20R2.3923228 CCCC(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345SB0073 [0,2,0,0,0,0|0,0,0]=2 71 B20R2.3923228 CCCC(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345SB0073 [0,2,0,0,0,0|0,0,0]=2 72 B20R2.3923228 COCC(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345SB0090 [0,2,0,0,0,0|0,0,0]=2 73 B20R2.3923228 COCC(=O)NCCc1c[nH]c2c1cc(cc2)OC WXVL_AK0345SB0090 [0,2,0,0,0,0|0,0,0]=2 74 B20R2.3923228 COc1ccc2[nH]cc(c2c1)CCNC(=O)CC#N WXVL_AK0345SB0057 [0,2,0,0,0,0|0,0,0]=2 75 B20R2.3923228 COc1ccc2[nH]cc(c2c1)CCNC(=O)CC#N WXVL_AK0345SB0057 [0,2,0,0,0,0|0,0,0]=2 76 B20R2.3923228 COc1ccc2[nH]cc(c2c1)CCNC(=O)CSC WXVL_AK0345SB1267 [0,2,0,0,0,0|0,0,0]=2 77 B20R2.3923228 COc1ccc2[nH]cc(c2c1)CCNC(=O)CSC WXVL_AK0345SB1267 [0,2,0,0,0,0|0,0,0]=2 78 B20R3.1567614 COc1ccc2[nH]c3c(c2c1)CCN(C3)C(=O)C WXVL_AN2484SB0150 [0,1,0,1,0,0|0,0,0]=2 79 B16R2.15551 NC(=O)CCc1c[nH]c2c1cc(cc2)F WXVL_AK0084SB6827 [1,0,0,0,1,0|2,0,0]=4 80 B16R2.15551 NC(=O)CCc1c[nH]c2c1cc(cc2)F WXVL_AK0084SB6827 [1,0,0,0,1,0|2,0,0]=4 81 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)Br WXVL_AG0155SB0374 [0,0,1,0,0,1|2,0,0]=4 82 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)Br WXVL_AG0155SB0374 [0,0,1,0,0,1|2,0,0]=4 83 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)C WXVL_AG0107SB0374 [0,0,1,0,0,1|2,0,0]=4 84 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)C WXVL_AG0107SB0374 [0,0,1,0,0,1|2,0,0]=4 85 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)Cl WXVL_AG0098SB0374 [0,0,1,0,0,1|2,0,0]=4 86 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)Cl WXVL_AG0098SB0374 [0,0,1,0,0,1|2,0,0]=4 87 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)F WXVL_AG2083SB0374 [0,0,1,0,0,1|2,0,0]=4 88 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)F WXVL_AG2083SB0374 [0,0,1,0,0,1|2,0,0]=4 89 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)I WXVL_AG1088SB0374 [0,0,1,0,0,1|2,0,0]=4 90 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)I WXVL_AG1088SB0374 [0,0,1,0,0,1|2,0,0]=4 91 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)O WXVL_AG0639SB0374 [0,0,1,0,0,1|2,0,0]=4 92 B18R1.292220 COc1ccc(c(c1)NC(=O)CCNC(=O)C)O WXVL_AG0639SB0374 [0,0,1,0,0,1|2,0,0]=4 93 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)Br WXVL_AK0057SD0431 [0,0,1,0,0,1|2,0,0]=4 94 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)Br WXVL_AK0057SD0431 [0,0,1,0,0,1|2,0,0]=4 95 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)C WXVL_AK0057SD0803 [0,0,1,0,0,1|2,0,0]=4 96 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)C WXVL_AK0057SD0803 [0,0,1,0,0,1|2,0,0]=4 97 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)Cl WXVL_AK0057SD0138 [0,0,1,0,0,1|2,0,0]=4 98 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)Cl WXVL_AK0057SD0138 [0,0,1,0,0,1|2,0,0]=4 99 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)F WXVL_AK0057SD0166 [0,0,1,0,0,1|2,0,0]=4 100 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)F WXVL_AK0057SD0166 [0,0,1,0,0,1|2,0,0]=4 101 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)I WXVL_AK0057SD1103 [0,0,1,0,0,1|2,0,0]=4 102 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)I WXVL_AK0057SD1103 [0,0,1,0,0,1|2,0,0]=4 103 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)O WXVL_AK0057SD0031 [0,0,1,0,0,1|2,0,0]=4 104 B18R1.292579 COc1ccc(c(c1)C(=O)NCCNC(=O)C)O WXVL_AK0057SD0031 [0,0,1,0,0,1|2,0,0]=4 105 B18R2.40893 CC(=O)NCCCc1c[nH]c2c1cc(cc2)Cl WXVL_AK00815SB0150 [1,0,0,0,0,1|1,0,0]=3 106 B18R2.40893 CC(=O)NCCCc1c[nH]c2c1cc(cc2)Cl WXVL_AK00815SB0150 [1,0,0,0,0,1|1,0,0]=3 107 B20R2.38969 COc1ccc2cnc(nc2c1)NCCNC(=O)C WXVL_AK0057LP0786 [0,0,0,0,0,2|2,0,0]=4 108 B20R2.38969 COc1ccc2cnc(nc2c1)NCCNC(=O)C WXVL_AK0057LP0786 [0,0,0,0,0,2|2,0,0]=4 109 B20R2.39568 COc1ccc2ncnc(c2c1)NCCNC(=O)C WXVL_AK0057LP0579 [0,0,0,0,0,2|0,0,1]=3 110 B20R2.39568 COc1ccc2ncnc(c2c1)NCCNC(=O)C WXVL_AK0057LP0579 [0,0,0,0,0,2|0,0,1]=3 111 B20R2.39568 COc1ccc2ncnc(c2n1)NCCNC(=O)C WXVL_AK0057LP2084 [0,0,0,0,0,2|1,0,1]=4 112 B20R2.39568 COc1ccc2ncnc(c2n1)NCCNC(=O)C WXVL_AK0057LP2084 [0,0,0,0,0,2|1,0,1]=4