0 B12R1.130 CC(=O)NCCc1scnc1C WXVL_AK00194SB0150 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.130 CC(=O)NCCc1scnc1C WXVL_AK00194SB0150 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.130 CC(=O)NCCn1ccnc1C WXVL_AK00419SB0150 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.130 CC(=O)NCCn1ccnc1C WXVL_AK00419SB0150 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.130 Cc1nccn1CCCC(=O)N WXVL_AK0084SA1278 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.130 Cc1nccn1CCCC(=O)N WXVL_AK0084SA1278 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.172 CC(=O)NCCc1ccco1 WXVL_AK0989SB0150 [1,0,0,0,0,0|2,1,0]=4 7 B11R1.172 CC(=O)NCCc1ccco1 WXVL_AK0989SB0150 [1,0,0,0,0,0|2,1,0]=4 8 B11R1.172 CC(=O)NCCc1cccs1 WXVL_AK0098SB0150 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.172 CC(=O)NCCc1cccs1 WXVL_AK0098SB0150 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.172 CC(=O)NCCc1ccsc1 WXVL_AK1342SB0150 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.172 CC(=O)NCCc1ccsc1 WXVL_AK1342SB0150 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.172 CC(=O)NCCc1cnc[nH]1 WXVL_AK0479SB0150 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.172 CC(=O)NCCc1cnc[nH]1 WXVL_AK0479SB0150 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.172 CC(=O)NCCc1nccs1 WXVL_AK0181SB0150 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.172 CC(=O)NCCc1nccs1 WXVL_AK0181SB0150 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.172 CC(=O)NCCn1ccnc1 WXVL_AK00034SB0150 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.172 CC(=O)NCCn1ccnc1 WXVL_AK00034SB0150 [1,0,0,0,0,0|3,0,0]=4 18 B13R1.599 C#CC(=O)NCCc1scnc1C WXVL_AK00194SB0338 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.599 C#CC(=O)NCCc1scnc1C WXVL_AK00194SB0338 [0,1,0,0,0,0|1,0,1]=3 20 B13R1.599 CCC(=O)NCCc1scnc1C WXVL_AK00194SB0064 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.599 CCC(=O)NCCc1scnc1C WXVL_AK00194SB0064 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.599 CCC(=O)NCCn1ccnc1C WXVL_AK00419SB0064 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.599 CCC(=O)NCCn1ccnc1C WXVL_AK00419SB0064 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.599 CNC(=O)CCCn1ccnc1C WXVL_AK00442SA1278 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.599 CNC(=O)CCCn1ccnc1C WXVL_AK00442SA1278 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.599 Cc1nccn1CCNC(=O)CO WXVL_AK00419SB2706 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.599 Cc1nccn1CCNC(=O)CO WXVL_AK00419SB2706 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.599 Cc1ncsc1CCNC(=O)CO WXVL_AK00194SB2706 [0,1,0,0,0,0|1,0,0]=2 29 B13R1.599 Cc1ncsc1CCNC(=O)CO WXVL_AK00194SB2706 [0,1,0,0,0,0|1,0,0]=2 30 B13R1.3485 CC(=O)NCCn1nc(nc1C)C WXVL_AK00081SB0150 [0,1,0,0,0,0|3,0,0]=4 31 B13R1.3485 CC(=O)NCCn1nc(nc1C)C WXVL_AK00081SB0150 [0,1,0,0,0,0|3,0,0]=4 32 B13R2.430 CC(=O)N1CCc2ccsc2C1 WXVL_AN00467SB0150 [0,0,0,1,0,0|3,0,0]=4 33 B13R2.430 CC(=O)N1CCc2ccsc2C1 WXVL_AN00467SB0150 [0,0,0,1,0,0|3,0,0]=4 34 B13R2.430 CC(=O)N1CCc2nc[nH]c2C1 WXVL_AN00532SB0150 [0,0,0,1,0,0|2,0,1]=4 35 B13R2.430 CC(=O)N1CCc2sccc2C1 WXVL_AN00496SB0150 [0,0,0,1,0,0|2,0,0]=3 36 B13R2.430 CC(=O)N1CCc2sccc2C1 WXVL_AN00496SB0150 [0,0,0,1,0,0|2,0,0]=3 37 B13R2.430 CC(=O)N1CCn2ccnc2C1 WXVL_AN00032SB0150 [0,0,0,1,0,0|3,0,0]=4 38 B13R2.430 CC(=O)N1CCn2ccnc2C1 WXVL_AN00032SB0150 [0,0,0,1,0,0|3,0,0]=4 39 B13R2.430 CC(=O)N1CCn2ncnc2C1 WXVL_AN0140SB0150 [0,0,0,1,0,0|3,0,0]=4 40 B13R2.430 CC(=O)N1CCn2ncnc2C1 WXVL_AN0140SB0150 [0,0,0,1,0,0|3,0,0]=4 41 B13R2.430 NC(=O)C1CCc2[nH]cnc2C1 WXVL_AK0084SA0923 [0,0,0,1,0,0|3,0,0]=4 42 B13R2.430 NC(=O)C1CCc2[nH]cnc2C1 WXVL_AK0084SA0923 [0,0,0,1,0,0|3,0,0]=4 43 B11R1.90 CC(=O)NCc1ccnn1C WXVL_AK00250SB0150 [0,0,0,0,1,0|3,0,0]=4 44 B11R1.90 CC(=O)NCc1ccnn1C WXVL_AK00250SB0150 [0,0,0,0,1,0|3,0,0]=4 45 B11R1.90 CC(=O)NCc1sccc1Cl WXVL_AK4332SB0150 [0,0,0,0,1,0|3,0,0]=4 46 B11R1.90 CC(=O)NCc1sccc1Cl WXVL_AK4332SB0150 [0,0,0,0,1,0|3,0,0]=4 47 B13R1.149 CC(=O)NCCc1cccc(c1)C WXVL_AK8219SB0150 [0,0,0,0,0,1|3,0,0]=4 48 B13R1.149 CC(=O)NCCc1cccc(c1)C WXVL_AK8219SB0150 [0,0,0,0,0,1|3,0,0]=4 49 B13R1.158 CC(=O)NCCc1ccccc1C WXVL_AK0254SB0150 [0,0,0,0,0,1|3,0,0]=4 50 B13R1.158 CC(=O)NCCc1ccccc1C WXVL_AK0254SB0150 [0,0,0,0,0,1|3,0,0]=4 51 B13R1.167 CC(=O)NCCCn1ccnc1C WXVL_AK7305SB0150 [0,0,0,0,0,1|3,0,0]=4 52 B13R1.167 CC(=O)NCCCn1ccnc1C WXVL_AK7305SB0150 [0,0,0,0,0,1|3,0,0]=4 53 B12R1.105 CC(=O)NCCc1ccc(s1)Br WXVL_AK5921SB0150 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.105 CC(=O)NCCc1ccc(s1)Br WXVL_AK5921SB0150 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.264 CC(=O)C(=O)NCc1cncs1 WXVL_AK0526SB0051 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.264 CC(=O)C(=O)NCc1cncs1 WXVL_AK0526SB0051 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.477 CCC(=O)NCCc1cccs1 WXVL_AK0098SB0064 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.477 CCC(=O)NCCc1cccs1 WXVL_AK0098SB0064 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.477 CCC(=O)NCCc1cnc[nH]1 WXVL_AK0479SB0064 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.477 CCC(=O)NCCc1cnc[nH]1 WXVL_AK0479SB0064 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.477 O=C(CO)NCCc1cccs1 WXVL_AK0098SB2706 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.477 O=C(CO)NCCc1cccs1 WXVL_AK0098SB2706 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.477 O=C(CO)NCCc1cnc[nH]1 WXVL_AK0479SB2706 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.477 O=C(CO)NCCc1cnc[nH]1 WXVL_AK0479SB2706 [1,1,0,0,0,0|2,0,0]=4 65 B14R1.96 COc1cnccc1CCNC(=O)C WXVL_AK00188SB0150 [0,1,0,0,0,1|2,0,0]=4 66 B14R1.96 COc1cnccc1CCNC(=O)C WXVL_AK00188SB0150 [0,1,0,0,0,1|2,0,0]=4 67 B14R1.238 CC(=O)OCC(=O)Nc1[nH]cnc1C WXVL_AF00188SB2824 [0,1,0,0,0,1|1,0,1]=4 68 B14R1.238 CC(=O)OCC(=O)Nc1[nH]cnc1C WXVL_AF00188SB2824 [0,1,0,0,0,1|1,0,1]=4 69 B14R1.239 CC(=O)C(=O)NCCc1scnc1C WXVL_AK00194SB0051 [0,1,0,0,0,1|1,0,0]=3 70 B14R1.239 CC(=O)C(=O)NCCc1scnc1C WXVL_AK00194SB0051 [0,1,0,0,0,1|1,0,0]=3 71 B14R1.239 Cc1ncsc1CCNC(=O)C(=O)N WXVL_AK00194SB0128 [0,1,0,0,0,1|2,0,0]=4 72 B14R1.239 Cc1ncsc1CCNC(=O)C(=O)N WXVL_AK00194SB0128 [0,1,0,0,0,1|2,0,0]=4 73 B14R1.5604 CCS(=O)(=O)NCCc1scnc1C WXVL_AK00194HU0028 [0,2,0,0,0,0|2,0,0]=4 74 B14R1.5604 CCS(=O)(=O)NCCc1scnc1C WXVL_AK00194HU0028 [0,2,0,0,0,0|2,0,0]=4 75 B14R1.948 C#CCC(=O)NCCc1scnc1C WXVL_AK00194SB3070 [0,2,0,0,0,0|1,0,0]=3 76 B14R1.948 C#CCC(=O)NCCc1scnc1C WXVL_AK00194SB3070 [0,2,0,0,0,0|1,0,0]=3 77 B14R1.948 C/C=C/C(=O)NCCc1scnc1C WXVL_AK00194SB0340 [0,2,0,0,0,0|1,0,0]=3 78 B14R1.948 C/C=C/C(=O)NCCc1scnc1C WXVL_AK00194SB0340 [0,2,0,0,0,0|1,0,0]=3 79 B14R1.948 C=CCC(=O)NCCc1scnc1C WXVL_AK00194SB2732 [0,2,0,0,0,0|1,0,0]=3 80 B14R1.948 C=CCC(=O)NCCc1scnc1C WXVL_AK00194SB2732 [0,2,0,0,0,0|1,0,0]=3 81 B14R1.948 CC#CC(=O)NCCc1scnc1C WXVL_AK00194SB1240 [0,2,0,0,0,0|1,0,0]=3 82 B14R1.948 CC#CC(=O)NCCc1scnc1C WXVL_AK00194SB1240 [0,2,0,0,0,0|1,0,0]=3 83 B14R1.948 CCCC(=O)NCCc1scnc1C WXVL_AK00194SB0073 [0,2,0,0,0,0|1,0,0]=3 84 B14R1.948 CCCC(=O)NCCc1scnc1C WXVL_AK00194SB0073 [0,2,0,0,0,0|1,0,0]=3 85 B14R1.948 COCC(=O)NCCc1scnc1C WXVL_AK00194SB0090 [0,2,0,0,0,0|1,0,0]=3 86 B14R1.948 COCC(=O)NCCc1scnc1C WXVL_AK00194SB0090 [0,2,0,0,0,0|1,0,0]=3 87 B14R1.948 CSCC(=O)NCCc1scnc1C WXVL_AK00194SB1267 [0,2,0,0,0,0|1,0,0]=3 88 B14R1.948 CSCC(=O)NCCc1scnc1C WXVL_AK00194SB1267 [0,2,0,0,0,0|1,0,0]=3 89 B14R1.948 Cc1ncsc1CCNC(=O)CC#N WXVL_AK00194SB0057 [0,2,0,0,0,0|1,0,0]=3 90 B14R1.948 Cc1ncsc1CCNC(=O)CC#N WXVL_AK00194SB0057 [0,2,0,0,0,0|1,0,0]=3 91 B14R2.781 CC(=O)N1CCc2cccnc2C1 WXVL_AN00388SB0150 [0,0,0,1,0,1|2,0,0]=4 92 B14R2.781 CC(=O)N1CCc2cccnc2C1 WXVL_AN00388SB0150 [0,0,0,1,0,1|2,0,0]=4 93 B14R2.781 CC(=O)N1CCc2ccncc2C1 WXVL_AN00244SB0150 [0,0,0,1,0,1|2,0,0]=4 94 B14R2.781 CC(=O)N1CCc2ccncc2C1 WXVL_AN00244SB0150 [0,0,0,1,0,1|2,0,0]=4 95 B14R2.781 CC(=O)N1CCc2ncncc2C1 WXVL_AN2746SB0150 [0,0,0,1,0,1|2,0,0]=4 96 B14R2.269 Cc1ncsc1C2=CC(=O)CCC2 WXVL_LR0791BT6400 [0,0,0,1,0,1|1,0,1]=4 97 B14R2.966 CCC(=O)N1CCc2sccc2C1 WXVL_AN00496SB0064 [0,1,0,1,0,0|2,0,0]=4 98 B14R2.966 CCC(=O)N1CCc2sccc2C1 WXVL_AN00496SB0064 [0,1,0,1,0,0|2,0,0]=4 99 B14R2.966 CNC(=O)C1CCc2[nH]cnc2C1 WXVL_AK00442SA0923 [0,1,0,1,0,0|2,0,0]=4 100 B14R2.966 CNC(=O)C1CCc2[nH]cnc2C1 WXVL_AK00442SA0923 [0,1,0,1,0,0|2,0,0]=4 101 B14R2.966 O=C(CO)N1CCc2sccc2C1 WXVL_AN00496SB2706 [0,1,0,1,0,0|2,0,0]=4 102 B14R2.966 O=C(CO)N1CCc2sccc2C1 WXVL_AN00496SB2706 [0,1,0,1,0,0|2,0,0]=4 103 B14R2.601 CC(=O)N1CCc2oc(nc2C1)C WXVL_AN7047SB0150 [0,1,0,1,0,0|1,1,0]=4 104 B14R2.601 CC(=O)N1CCc2oc(nc2C1)C WXVL_AN7047SB0150 [0,1,0,1,0,0|1,1,0]=4 105 B14R2.601 CC(=O)N1CCc2sc(cc2C1)Br WXVL_AN4030SB0150 [0,1,0,1,0,0|2,0,0]=4 106 B10R1.66 CC(=O)NCc1cccs1 WXVL_AK0014SB0150 [1,0,0,0,1,0|2,0,0]=4 107 B10R1.66 CC(=O)NCc1cccs1 WXVL_AK0014SB0150 [1,0,0,0,1,0|2,0,0]=4 108 B10R1.66 CC(=O)NCc1cnc[nH]1 WXVL_AK00778SB0150 [1,0,0,0,1,0|2,0,0]=4 109 B10R1.66 CC(=O)NCc1cnc[nH]1 WXVL_AK00778SB0150 [1,0,0,0,1,0|2,0,0]=4 110 B10R1.66 CC(=O)NCc1cnco1 WXVL_AK1437SB0150 [1,0,0,0,1,0|1,1,0]=4 111 B10R1.66 CC(=O)NCc1cnco1 WXVL_AK1437SB0150 [1,0,0,0,1,0|1,1,0]=4 112 B10R1.66 CC(=O)NCc1cncs1 WXVL_AK0526SB0150 [1,0,0,0,1,0|1,0,0]=3 113 B10R1.66 CC(=O)NCc1cncs1 WXVL_AK0526SB0150 [1,0,0,0,1,0|1,0,0]=3 114 B10R1.66 NC(=O)CCc1cccs1 WXVL_AK0084SA0303 [1,0,0,0,1,0|2,0,0]=4 115 B10R1.66 NC(=O)CCc1cccs1 WXVL_AK0084SA0303 [1,0,0,0,1,0|2,0,0]=4 116 B10R1.66 NC(=O)CCc1cnc[nH]1 WXVL_AK0084SA0100 [1,0,0,0,1,0|2,0,0]=4 117 B10R1.66 NC(=O)CCc1cnc[nH]1 WXVL_AK0084SA0100 [1,0,0,0,1,0|2,0,0]=4 118 B10R1.64 CC(=O)Nc1[nH]cnc1C WXVL_AF00188SB0150 [0,0,0,0,2,0|2,0,0]=4 119 B10R1.64 CC(=O)Nc1[nH]cnc1C WXVL_AF00188SB0150 [0,0,0,0,2,0|2,0,0]=4 120 B14R1.148 CC(=O)NCCNc1cc(ncn1)C WXVL_AK0057LP0109 [0,0,0,0,0,2|2,0,0]=4 121 B14R1.148 CC(=O)NCCNc1cc(ncn1)C WXVL_AK0057LP0109 [0,0,0,0,0,2|2,0,0]=4 122 B14R1.148 CC(=O)NCCNc1ccnc(n1)C WXVL_AK0057LP0556 [0,0,0,0,0,2|2,0,0]=4 123 B14R1.148 CC(=O)NCCNc1ccnc(n1)C WXVL_AK0057LP0556 [0,0,0,0,0,2|2,0,0]=4 124 B14R1.159 CC(=O)NCCNc1ncncc1C WXVL_AK0057LP0053 [0,0,0,0,0,2|2,0,0]=4 125 B14R1.159 CC(=O)NCCNc1ncncc1C WXVL_AK0057LP0053 [0,0,0,0,0,2|2,0,0]=4