0 B10R0.3 C/C=C/C(=O)NCCC(=O)N WXVL_AK00443SB0340 [0,1,0,0,0,0|3,0,0]=4 1 B10R0.3 C/C=C/C(=O)NCCC(=O)N WXVL_AK00443SB0340 [0,1,0,0,0,0|3,0,0]=4 2 B10R0.78 C=CCNC(=O)COC(=O)C WXVL_AK00561SB2824 [0,1,0,0,0,0|1,0,2]=4 3 B10R0.78 C=CCNC(=O)COC(=O)C WXVL_AK00561SB2824 [0,1,0,0,0,0|1,0,2]=4 4 B10R0.78 CCCNC(=O)COC(=O)C WXVL_AK00504SB2824 [0,1,0,0,0,0|1,0,2]=4 5 B10R0.78 CCCNC(=O)COC(=O)C WXVL_AK00504SB2824 [0,1,0,0,0,0|1,0,2]=4 6 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [0,0,0,1,0,0|1,0,2]=4 7 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [0,0,0,1,0,0|1,0,2]=4 8 B10R1.18 CC(=O)Nc1ccccn1 WXVL_AF00298SB0150 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.18 CC(=O)Nc1ccccn1 WXVL_AF00298SB0150 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.61 Cc1ccccc1C(=O)N WXVL_AK0084SD0037 [0,0,0,1,0,0|2,0,1]=4 11 B10R1.61 Cc1ccccc1C(=O)N WXVL_AK0084SD0037 [0,0,0,1,0,0|2,0,1]=4 12 B10R1.61 Cc1cccnc1C(=O)N WXVL_AK0084SC0008 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.61 Cc1cccnc1C(=O)N WXVL_AK0084SC0008 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.66 CC(=O)NCc1cc[nH]n1 WXVL_AK00156SB0150 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.66 CC(=O)NCc1cc[nH]n1 WXVL_AK00156SB0150 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.66 CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0150 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.66 CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0150 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.66 CC(=O)NCc1ccco1 WXVL_AK0010SB0150 [0,0,0,1,0,0|2,0,0]=3 19 B10R1.66 CC(=O)NCc1ccco1 WXVL_AK0010SB0150 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.66 CC(=O)NCc1cccs1 WXVL_AK0014SB0150 [0,0,0,1,0,0|2,0,0]=3 21 B10R1.66 CC(=O)NCc1cccs1 WXVL_AK0014SB0150 [0,0,0,1,0,0|2,0,0]=3 22 B10R1.66 CC(=O)NCc1ccn[nH]1 WXVL_AK0459SB0150 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.66 CC(=O)NCc1ccn[nH]1 WXVL_AK0459SB0150 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.66 CC(=O)NCc1ccoc1 WXVL_AK2033SB0150 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.66 CC(=O)NCc1ccoc1 WXVL_AK2033SB0150 [0,0,0,1,0,0|2,0,1]=4 26 B10R1.66 CC(=O)NCc1ccsc1 WXVL_AK00174SB0150 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.66 CC(=O)NCc1ccsc1 WXVL_AK00174SB0150 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.66 CC(=O)NCc1cnc[nH]1 WXVL_AK00778SB0150 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.66 CC(=O)NCc1cnc[nH]1 WXVL_AK00778SB0150 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.66 CC(=O)NCc1cnco1 WXVL_AK1437SB0150 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.66 CC(=O)NCc1cnco1 WXVL_AK1437SB0150 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.66 CC(=O)NCc1cncs1 WXVL_AK0526SB0150 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.66 CC(=O)NCc1cncs1 WXVL_AK0526SB0150 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.66 CC(=O)NCc1cocn1 WXVL_AK00016SB0150 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.66 CC(=O)NCc1cocn1 WXVL_AK00016SB0150 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.66 CC(=O)NCc1cscn1 WXVL_AK0325SB0150 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.66 CC(=O)NCc1cscn1 WXVL_AK0325SB0150 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.66 CC(=O)NCc1nccs1 WXVL_AK0153SB0150 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.66 CC(=O)NCc1nccs1 WXVL_AK0153SB0150 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.66 NC(=O)CCc1ccc[nH]1 WXVL_AK0084SA0009 [0,0,0,1,0,0|3,0,0]=4 41 B10R1.66 NC(=O)CCc1ccc[nH]1 WXVL_AK0084SA0009 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.66 NC(=O)CCc1ccco1 WXVL_AK0084SA0167 [0,0,0,1,0,0|3,0,0]=4 43 B10R1.66 NC(=O)CCc1ccco1 WXVL_AK0084SA0167 [0,0,0,1,0,0|3,0,0]=4 44 B10R1.66 NC(=O)CCc1cccs1 WXVL_AK0084SA0303 [0,0,0,1,0,0|3,0,0]=4 45 B10R1.66 NC(=O)CCc1cccs1 WXVL_AK0084SA0303 [0,0,0,1,0,0|3,0,0]=4 46 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [2,0,0,0,0,0|1,0,1]=4 49 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [2,0,0,0,0,0|1,0,1]=4 50 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [2,0,0,0,0,0|1,0,1]=4 52 B9R0.48 C/C=C/C(=O)NCC(=O)N WXVL_AK0147SB0340 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.48 C/C=C/C(=O)NCC(=O)N WXVL_AK0147SB0340 [1,1,0,0,0,0|2,0,0]=4 54 B9R0.48 C=C(C)CNC(=O)/C=C/C WXVL_AK0761SB0340 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.48 C=C(C)CNC(=O)/C=C/C WXVL_AK0761SB0340 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [1,1,0,0,0,0|1,0,1]=4 58 B11R0.176 C/C=C/C(=O)NCCNC(=O)C WXVL_AK0057SB0340 [0,2,0,0,0,0|1,0,1]=4 59 B11R0.176 C/C=C/C(=O)NCCNC(=O)C WXVL_AK0057SB0340 [0,2,0,0,0,0|1,0,1]=4 60 B11R0.85 C=C(C)CNC(=O)COC(=O)C WXVL_AK0761SB2824 [0,2,0,0,0,0|1,0,1]=4 61 B11R0.85 C=C(C)CNC(=O)COC(=O)C WXVL_AK0761SB2824 [0,2,0,0,0,0|1,0,1]=4 62 B9R1.13 NC(=O)Cc1cccs1 WXVL_AK0084SA0018 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.13 NC(=O)Cc1cccs1 WXVL_AK0084SA0018 [1,0,0,1,0,0|2,0,0]=4 64 B11R1.90 CC(=O)NCc1cccn1C WXVL_AK0499SB0150 [0,1,0,1,0,0|1,0,0]=3 65 B11R1.90 CC(=O)NCc1cccn1C WXVL_AK0499SB0150 [0,1,0,1,0,0|1,0,0]=3 66 B11R1.90 CC(=O)NCc1ccnn1C WXVL_AK00250SB0150 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.90 CC(=O)NCc1ccnn1C WXVL_AK00250SB0150 [0,1,0,1,0,0|2,0,0]=4 68 B11R1.90 CC(=O)NCc1ccsc1Br WXVL_AK2501SB0150 [0,1,0,1,0,0|2,0,0]=4 69 B11R1.90 CC(=O)NCc1ccsc1Br WXVL_AK2501SB0150 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.90 CC(=O)NCc1cncn1C WXVL_AK0165SB0150 [0,1,0,1,0,0|2,0,0]=4 71 B11R1.90 CC(=O)NCc1cncn1C WXVL_AK0165SB0150 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.90 CC(=O)NCc1nccn1C WXVL_AK0173SB0150 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.90 CC(=O)NCc1nccn1C WXVL_AK0173SB0150 [0,1,0,1,0,0|2,0,0]=4 74 B11R1.90 CC(=O)NCc1sccc1Cl WXVL_AK4332SB0150 [0,1,0,1,0,0|2,0,0]=4 75 B11R1.90 CC(=O)NCc1sccc1Cl WXVL_AK4332SB0150 [0,1,0,1,0,0|2,0,0]=4 76 B11R1.157 CC(=O)Nc1cccc(c1)C WXVL_AG0052SB0150 [0,1,0,1,0,0|1,0,1]=4 77 B11R1.157 CC(=O)Nc1cccc(c1)C WXVL_AG0052SB0150 [0,1,0,1,0,0|1,0,1]=4 78 B11R1.157 CC(=O)Nc1cccc(n1)C WXVL_AF0019SB0150 [0,1,0,1,0,0|1,0,1]=4 79 B11R1.157 CC(=O)Nc1cccc(n1)C WXVL_AF0019SB0150 [0,1,0,1,0,0|1,0,1]=4 80 B11R1.172 CC(=O)NCCc1ccco1 WXVL_AK0989SB0150 [0,1,0,1,0,0|2,0,0]=4 81 B11R1.172 CC(=O)NCCc1ccco1 WXVL_AK0989SB0150 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.172 CC(=O)NCCc1cccs1 WXVL_AK0098SB0150 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.172 CC(=O)NCCc1cccs1 WXVL_AK0098SB0150 [0,1,0,1,0,0|2,0,0]=4 84 B11R1.86 CC(=O)Nc1ccccc1C WXVL_AG0027SB0150 [0,1,0,1,0,0|1,0,1]=4 85 B11R1.86 CC(=O)Nc1ccccc1C WXVL_AG0027SB0150 [0,1,0,1,0,0|1,0,1]=4 86 B11R1.86 CC(=O)Nc1cccnc1C WXVL_AF0055SB0150 [0,1,0,1,0,0|1,0,1]=4 87 B11R1.86 CC(=O)Nc1cccnc1C WXVL_AF0055SB0150 [0,1,0,1,0,0|1,0,1]=4 88 B11R1.86 CC(=O)Nc1ccncc1C WXVL_AF0049SB0150 [0,1,0,1,0,0|1,0,1]=4 89 B11R1.86 CC(=O)Nc1ccncc1C WXVL_AF0049SB0150 [0,1,0,1,0,0|1,0,1]=4 90 B11R1.86 CC(=O)Nc1cnccc1C WXVL_AF0075SB0150 [0,1,0,1,0,0|1,0,1]=4 91 B11R1.86 CC(=O)Nc1cnccc1C WXVL_AF0075SB0150 [0,1,0,1,0,0|1,0,1]=4 92 B11R1.86 CC(=O)Nc1ncccc1C WXVL_AF0013SB0150 [0,1,0,1,0,0|1,0,1]=4 93 B11R1.86 CC(=O)Nc1ncccc1C WXVL_AF0013SB0150 [0,1,0,1,0,0|1,0,1]=4 94 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [0,1,0,1,0,0|1,0,1]=4 95 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [0,1,0,1,0,0|1,0,1]=4 96 B11R1.91 CC(=O)NCc1ccccn1 WXVL_AK0018SB0150 [0,1,0,1,0,0|1,0,1]=4 97 B11R1.91 CC(=O)NCc1ccccn1 WXVL_AK0018SB0150 [0,1,0,1,0,0|1,0,1]=4 98 B11R1.91 CC(=O)NCc1cccnc1 WXVL_AK0020SB0150 [0,1,0,1,0,0|1,0,1]=4 99 B11R1.91 CC(=O)NCc1cccnc1 WXVL_AK0020SB0150 [0,1,0,1,0,0|1,0,1]=4 100 B11R1.91 CC(=O)NCc1ccncc1 WXVL_AK0021SB0150 [0,1,0,1,0,0|1,0,1]=4 101 B11R1.91 CC(=O)NCc1ccncc1 WXVL_AK0021SB0150 [0,1,0,1,0,0|1,0,1]=4 102 B11R1.91 CC(=O)NCc1ccncn1 WXVL_AK1356SB0150 [0,1,0,1,0,0|2,0,0]=4 103 B11R1.91 CC(=O)NCc1ccncn1 WXVL_AK1356SB0150 [0,1,0,1,0,0|2,0,0]=4 104 B11R1.91 CC(=O)NCc1cnccn1 WXVL_AK00262SB0150 [0,1,0,1,0,0|2,0,0]=4 105 B11R1.91 CC(=O)NCc1cnccn1 WXVL_AK00262SB0150 [0,1,0,1,0,0|2,0,0]=4 106 B11R1.91 CC(=O)NCc1ncccn1 WXVL_AK0279SB0150 [0,1,0,1,0,0|2,0,0]=4 107 B11R1.91 CC(=O)NCc1ncccn1 WXVL_AK0279SB0150 [0,1,0,1,0,0|2,0,0]=4 108 B11R1.77 CC(=O)N[C@@H](C)c1cccs1 WXVL_AK00667SB0150 [0,1,0,1,0,0|2,0,0]=4 109 B11R1.77 CC(=O)N[C@@H](C)c1cccs1 WXVL_AK00667SB0150 [0,1,0,1,0,0|2,0,0]=4 110 B11R1.75 CC(=O)NCc1cc(cs1)Br WXVL_AK00192SB0150 [0,1,0,1,0,0|2,0,0]=4 111 B11R1.75 CC(=O)NCc1cc(cs1)Br WXVL_AK00192SB0150 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.75 CC(=O)NCc1ccc(s1)Br WXVL_AK2468SB0150 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.75 CC(=O)NCc1ccc(s1)Br WXVL_AK2468SB0150 [0,1,0,1,0,0|2,0,0]=4 114 B11R1.75 CC(=O)NCc1ccc(s1)C WXVL_AK0276SB0150 [0,1,0,1,0,0|1,0,0]=3 115 B11R1.75 CC(=O)NCc1ccc(s1)C WXVL_AK0276SB0150 [0,1,0,1,0,0|1,0,0]=3 116 B11R1.75 CC(=O)NCc1ccc(s1)Cl WXVL_AK00166SB0150 [0,1,0,1,0,0|2,0,0]=4 117 B11R1.75 CC(=O)NCc1ccc(s1)Cl WXVL_AK00166SB0150 [0,1,0,1,0,0|2,0,0]=4 118 B11R1.75 CC(=O)NCc1ccn(n1)C WXVL_AK1583SB0150 [0,1,0,1,0,0|2,0,0]=4 119 B11R1.75 CC(=O)NCc1ccn(n1)C WXVL_AK1583SB0150 [0,1,0,1,0,0|2,0,0]=4 120 B11R1.75 CC(=O)NCc1cnc(s1)C WXVL_AK0269SB0150 [0,1,0,1,0,0|2,0,0]=4 121 B11R1.75 CC(=O)NCc1cnc(s1)C WXVL_AK0269SB0150 [0,1,0,1,0,0|2,0,0]=4 122 B11R1.75 CC(=O)NCc1csc(n1)C WXVL_AK0167SB0150 [0,1,0,1,0,0|2,0,0]=4 123 B11R1.75 CC(=O)NCc1csc(n1)C WXVL_AK0167SB0150 [0,1,0,1,0,0|2,0,0]=4 124 B11R1.75 CC(=O)NCc1ncc(s1)C WXVL_AK4049SB0150 [0,1,0,1,0,0|2,0,0]=4 125 B11R1.75 CC(=O)NCc1ncc(s1)C WXVL_AK4049SB0150 [0,1,0,1,0,0|2,0,0]=4 126 B11R1.75 Cc1ccc(s1)CCC(=O)N WXVL_AK0084SA0110 [0,1,0,1,0,0|2,0,0]=4 127 B11R1.75 Cc1ccc(s1)CCC(=O)N WXVL_AK0084SA0110 [0,1,0,1,0,0|2,0,0]=4 128 B11R1.25 CCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0064 [0,1,0,1,0,0|2,0,0]=4 129 B11R1.25 CCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0064 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.25 CCC(=O)NCc1ccco1 WXVL_AK0010SB0064 [0,1,0,1,0,0|2,0,0]=4 131 B11R1.25 CCC(=O)NCc1ccco1 WXVL_AK0010SB0064 [0,1,0,1,0,0|2,0,0]=4 132 B11R1.25 CCC(=O)NCc1cccs1 WXVL_AK0014SB0064 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.25 CCC(=O)NCc1cccs1 WXVL_AK0014SB0064 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.25 CNC(=O)CCc1ccc[nH]1 WXVL_AK00442SA0009 [0,1,0,1,0,0|2,0,0]=4 135 B11R1.25 CNC(=O)CCc1ccc[nH]1 WXVL_AK00442SA0009 [0,1,0,1,0,0|2,0,0]=4 136 B11R1.25 CNC(=O)CCc1ccco1 WXVL_AK00442SA0167 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.25 CNC(=O)CCc1ccco1 WXVL_AK00442SA0167 [0,1,0,1,0,0|2,0,0]=4 138 B11R1.25 CNC(=O)CCc1cccs1 WXVL_AK00442SA0303 [0,1,0,1,0,0|2,0,0]=4 139 B11R1.25 CNC(=O)CCc1cccs1 WXVL_AK00442SA0303 [0,1,0,1,0,0|2,0,0]=4 140 B11R1.25 O=C(CO)NCc1ccc[nH]1 WXVL_AK00759SB2706 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.25 O=C(CO)NCc1ccc[nH]1 WXVL_AK00759SB2706 [0,1,0,1,0,0|2,0,0]=4 142 B11R1.25 O=C(CO)NCc1ccco1 WXVL_AK0010SB2706 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.25 O=C(CO)NCc1ccco1 WXVL_AK0010SB2706 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.25 O=C(CO)NCc1cccs1 WXVL_AK0014SB2706 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.25 O=C(CO)NCc1cccs1 WXVL_AK0014SB2706 [0,1,0,1,0,0|2,0,0]=4 146 B11R1.222 CNC(=O)c1ccccc1C WXVL_AK00442SD0037 [0,1,0,1,0,0|1,0,1]=4 147 B11R1.222 CNC(=O)c1ccccc1C WXVL_AK00442SD0037 [0,1,0,1,0,0|1,0,1]=4 148 B11R1.222 CNC(=O)c1ncccc1C WXVL_AK00442SC0008 [0,1,0,1,0,0|2,0,0]=4 149 B11R1.222 CNC(=O)c1ncccc1C WXVL_AK00442SC0008 [0,1,0,1,0,0|2,0,0]=4