0 B13R1.49 C#Cc1cc(ccc1C)C(=O)CC 1458a_200012278110_100000210202 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.49 C#Cc1cc(ccc1C)C(=O)NC 11a_106832991635_200012278110 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.49 C#Cc1cc(ccc1C)C(=O)NC 1626a_100102657272_200012278110 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.49 C#Cc1cc(ccc1C)C(=O)NC 527a_100102657272_200012278110 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.49 C=Cc1cc(ccc1Br)C(=O)OC 271570a_100011290941_100012349818 [0,0,0,0,0,0|2,0,1]=3 5 B13R1.49 C=Cc1cc(ccc1C)C(=O)OC 271570a_100011290941_100011218856 [0,0,0,0,0,0|2,0,1]=3 6 B13R1.49 C=Cc1cc(ccc1Cl)C(=O)OC 271570a_100011290941_100011294800 [0,0,0,0,0,0|2,0,1]=3 7 B13R1.49 C=Cc1cc(ccc1F)C(=O)CC 271570a_100011290941_100011216493 [0,0,0,0,0,0|3,0,1]=4 8 B13R1.49 C=Cc1cc(ccc1F)C(=O)NC 271570a_100011290941_200012359898 [0,0,0,0,0,0|3,0,1]=4 9 B13R1.49 C=Cc1cc(ccc1F)C(=O)OC 271570a_100011290941_100000722584 [0,0,0,0,0,0|2,0,1]=3 10 B13R1.49 C=Cc1cc(ccc1N)C(=O)OC 271570a_100011290941_100000187552 [0,0,0,0,0,0|2,0,1]=3 11 B13R1.49 C=Cc1cc(ccc1O)C(=O)OC 271570a_100011290941_100000216328 [0,0,0,0,0,0|1,0,1]=2 12 B13R1.49 C=Cc1cc(cnc1Cl)C(=O)OC 271570a_100011290941_100010188758 [0,0,0,0,0,0|3,0,1]=4 13 B13R1.49 C=Cc1cc(cnc1F)C(=O)OC 271570a_100011290941_100000117919 [0,0,0,0,0,0|3,0,1]=4 14 B13R1.49 C=Cc1cc(cnc1N)C(=O)OC 271570a_100011290941_100009816800 [0,0,0,0,0,0|3,0,1]=4 15 B13R1.49 C=Cc1cc(cnc1O)C(=O)OC 271570a_100011290941_100010109663 [0,0,0,0,0,0|2,0,1]=3 16 B13R1.49 C=Cc1cc(coc1=O)C(=O)OC 271570a_100011290941_100009812866 [0,0,0,0,0,0|2,0,2]=4 17 B13R1.49 C=Cc1cc(ncc1C)C(=O)OC 271570a_100011290941_100000065005 [0,0,0,0,0,0|3,0,1]=4 18 B13R1.49 C=Cc1nc(ccc1C)C(=O)OC 271570a_100011290941_100010143800 [0,0,0,0,0,0|3,0,1]=4 19 B13R1.49 C=Cc1nc(ccc1F)C(=O)OC 271570a_100011290941_100010189626 [0,0,0,0,0,0|3,0,1]=4 20 B13R1.49 C=Cc1nc(ccc1O)C(=O)OC 271570a_100011290941_200009815348 [0,0,0,0,0,0|2,0,1]=3 21 B13R1.49 CCC(=O)c1ccc(c(c1)C#N)Br 1458a_100010253904_100000210202 [0,0,0,0,0,0|4,0,0]=4 22 B13R1.49 CCC(=O)c1ccc(c(c1)C#N)Cl 1458a_100000696165_100000210202 [0,0,0,0,0,0|4,0,0]=4 23 B13R1.49 CCC(=O)c1ccc(c(c1)C#N)F 1458a_100000697239_100000210202 [0,0,0,0,0,0|4,0,0]=4 24 B13R1.49 CCC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_100000210202 [0,0,0,0,0,0|3,0,0]=3 25 B13R1.49 CCC(=O)c1ccc(c(c1)CC)Br 1458a_100010152358_100000210202 [0,0,0,0,0,0|3,0,0]=3 26 B13R1.49 CCC(=O)c1ccc(c(c1)CC)Cl 1458a_100000102533_100000210202 [0,0,0,0,0,0|3,0,0]=3 27 B13R1.49 CCC(=O)c1ccc(c(c1)CC)F 1458a_100009883079_100000210202 [0,0,0,0,0,0|3,0,0]=3 28 B13R1.49 CCC(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_100000210202 [0,0,0,0,0,0|4,0,0]=4 29 B13R1.49 CCC(=O)c1ccc(c(c1)CO)F 1458a_100011803322_100000210202 [0,0,0,0,0,0|4,0,0]=4 30 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210202 [0,0,0,0,0,0|2,0,0]=2 31 B13R1.49 CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210202 [0,0,0,0,0,0|2,0,0]=2 32 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210202 [0,0,0,0,0,0|2,0,0]=2 33 B13R1.49 CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210202 [0,0,0,0,0,0|2,0,0]=2 34 B13R1.49 CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210202 [0,0,0,0,0,0|2,0,0]=2 35 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210202 [0,0,0,0,0,0|1,0,0]=1 36 B13R1.49 CCC(=O)c1ccc(c(c1)SC)F 62a_100011216493_200000210301 [0,0,0,0,0,0|2,1,0]=3 37 B13R1.49 CCC(=O)c1ccc(c(c1)SC)F 62a_200000210301_100011216493 [0,0,0,0,0,0|2,1,0]=3 38 B13R1.49 CCC(=O)c1ccc(c(c1)S[13CH3])F 62a_100011216493_200025704644 [0,0,0,0,0,0|2,1,0]=3 39 B13R1.49 CCC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100011216493 [0,0,0,0,0,0|2,1,0]=3 40 B13R1.49 CCN(C)c1ccc(c(c1)OC)F 2230a_200012002703_100000210202 [0,0,0,0,0,0|4,0,0]=4 41 B13R1.49 CCN(C)c1ccc(c(c1)OC)F 269982a_200012002703_100000204670 [0,0,0,0,0,0|4,0,0]=4 42 B13R1.49 CCN(C)c1ccc(c(c1)OC)F 34a_200012002703_100000210202 [0,0,0,0,0,0|4,0,0]=4 43 B13R1.49 CCN(C)c1ccc(c(c1)OC)F 38a_200012002703_100000204670 [0,0,0,0,0,0|4,0,0]=4 44 B13R1.49 CCc1cc(ccc1Br)C(=O)CF 1458a_100010152358_100015361967 [0,0,0,0,0,0|4,0,0]=4 45 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 11a_106832991635_100010152358 [0,0,0,0,0,0|3,0,0]=3 46 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 1626a_100102657272_100010152358 [0,0,0,0,0,0|3,0,0]=3 47 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 240690a_100102657272_100010152358 [0,0,0,0,0,0|3,0,0]=3 48 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 527a_100102657272_100010152358 [0,0,0,0,0,0|3,0,0]=3 49 B13R1.49 CCc1cc(ccc1Cl)C(=O)CF 1458a_100000102533_100015361967 [0,0,0,0,0,0|4,0,0]=4 50 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 11a_106832991635_100000102533 [0,0,0,0,0,0|3,0,0]=3 51 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 1626a_100102657272_100000102533 [0,0,0,0,0,0|3,0,0]=3 52 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 240690a_100102657272_100000102533 [0,0,0,0,0,0|3,0,0]=3 53 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 527a_100102657272_100000102533 [0,0,0,0,0,0|3,0,0]=3 54 B13R1.49 CCc1cc(ccc1F)C(=O)CF 1458a_100009883079_100015361967 [0,0,0,0,0,0|4,0,0]=4 55 B13R1.49 CCc1cc(ccc1F)C(=O)NC 11a_106832991635_100009883079 [0,0,0,0,0,0|3,0,0]=3 56 B13R1.49 CCc1cc(ccc1F)C(=O)NC 1626a_100102657272_100009883079 [0,0,0,0,0,0|3,0,0]=3 57 B13R1.49 CCc1cc(ccc1F)C(=O)NC 240690a_100102657272_100009883079 [0,0,0,0,0,0|3,0,0]=3 58 B13R1.49 CCc1cc(ccc1F)C(=O)NC 527a_100102657272_100009883079 [0,0,0,0,0,0|3,0,0]=3 59 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)Br 11a_106832991635_100010253904 [0,0,0,0,0,0|4,0,0]=4 60 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)Br 1626a_100102657272_100010253904 [0,0,0,0,0,0|4,0,0]=4 61 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)Br 240690a_100102657272_100010253904 [0,0,0,0,0,0|4,0,0]=4 62 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)Br 527a_100102657272_100010253904 [0,0,0,0,0,0|4,0,0]=4 63 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)Cl 11a_106832991635_100000696165 [0,0,0,0,0,0|4,0,0]=4 64 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)Cl 1626a_100102657272_100000696165 [0,0,0,0,0,0|4,0,0]=4 65 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)Cl 240690a_100102657272_100000696165 [0,0,0,0,0,0|4,0,0]=4 66 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)Cl 527a_100102657272_100000696165 [0,0,0,0,0,0|4,0,0]=4 67 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)F 11a_106832991635_100000697239 [0,0,0,0,0,0|4,0,0]=4 68 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)F 1626a_100102657272_100000697239 [0,0,0,0,0,0|4,0,0]=4 69 B13R1.49 CNC(=O)c1ccc(c(c1)CO)Br 1626a_100102657272_100010218026 [0,0,0,0,0,0|4,0,0]=4 70 B13R1.49 CNC(=O)c1ccc(c(c1)CO)Br 240690a_100102657272_100010218026 [0,0,0,0,0,0|4,0,0]=4 71 B13R1.49 CNC(=O)c1ccc(c(c1)CO)F 1626a_100102657272_100011803322 [0,0,0,0,0,0|4,0,0]=4 72 B13R1.49 CNC(=O)c1ccc(c(c1)CO)F 240690a_100102657272_100011803322 [0,0,0,0,0,0|4,0,0]=4 73 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 2230a_100000737617_200000210301 [0,0,0,0,0,0|3,0,0]=3 74 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 34a_100000737617_200000210301 [0,0,0,0,0,0|3,0,0]=3 75 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 7a_100000737617_200000210301 [0,0,0,0,0,0|3,0,0]=3 76 B13R1.49 CNC(=O)c1ccc(c(c1)NC)Cl 34a_100000740709_200000210301 [0,0,0,0,0,0|3,0,0]=3 77 B13R1.49 CNC(=O)c1ccc(c(c1)NC)F 27a_100102657272_200012359898 [0,0,0,0,0,0|3,0,0]=3 78 B13R1.49 CNC(=O)c1ccc(c(c1)NC)F 34a_100011295210_200000210301 [0,0,0,0,0,0|3,0,0]=3 79 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 2230a_100000737617_200025704644 [0,0,0,0,0,0|3,0,0]=3 80 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 34a_100000737617_200025704644 [0,0,0,0,0,0|3,0,0]=3 81 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 7a_100000737617_200025704644 [0,0,0,0,0,0|3,0,0]=3 82 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])Cl 34a_100000740709_200025704644 [0,0,0,0,0,0|3,0,0]=3 83 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])F 34a_100011295210_200025704644 [0,0,0,0,0,0|3,0,0]=3 84 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 11a_106832991635_100011934951 [0,0,0,0,0,0|2,0,0]=2 85 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 1626a_100102657272_100011934951 [0,0,0,0,0,0|2,0,0]=2 86 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 240690a_100102657272_100011934951 [0,0,0,0,0,0|2,0,0]=2 87 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 527a_100102657272_100011934951 [0,0,0,0,0,0|2,0,0]=2 88 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 11a_106832991635_100000212341 [0,0,0,0,0,0|2,0,0]=2 89 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 1626a_100102657272_100000212341 [0,0,0,0,0,0|2,0,0]=2 90 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 240690a_100102657272_100000212341 [0,0,0,0,0,0|2,0,0]=2 91 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 527a_100102657272_100000212341 [0,0,0,0,0,0|2,0,0]=2 92 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 11a_106832991635_100000181799 [0,0,0,0,0,0|2,0,0]=2 93 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 1626a_100102657272_100000181799 [0,0,0,0,0,0|2,0,0]=2 94 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 240690a_100102657272_100000181799 [0,0,0,0,0,0|2,0,0]=2 95 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 527a_100102657272_100000181799 [0,0,0,0,0,0|2,0,0]=2 96 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 11a_106832991635_100000757635 [0,0,0,0,0,0|2,0,0]=2 97 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 1626a_100102657272_100000757635 [0,0,0,0,0,0|2,0,0]=2 98 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 240690a_100102657272_100000757635 [0,0,0,0,0,0|2,0,0]=2 99 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 527a_100102657272_100000757635 [0,0,0,0,0,0|2,0,0]=2 100 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 11a_106832991635_100012356290 [0,0,0,0,0,0|2,0,0]=2 101 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 1626a_100102657272_100012356290 [0,0,0,0,0,0|2,0,0]=2 102 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 240690a_100102657272_100012356290 [0,0,0,0,0,0|2,0,0]=2 103 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 527a_100102657272_100012356290 [0,0,0,0,0,0|2,0,0]=2 104 B13R1.49 CNC(=O)c1ccc(c(c1)OC)O 240690a_100102657272_100000687070 [0,0,0,0,0,0|1,0,0]=1 105 B13R1.49 CNC(=O)c1ccc(c(c1)SC)F 62a_200000210301_200012359898 [0,0,0,0,0,0|2,1,0]=3 106 B13R1.49 CNC(=O)c1ccc(c(c1)SC)F 62a_200012359898_200000210301 [0,0,0,0,0,0|2,1,0]=3 107 B13R1.49 CNC(=O)c1ccc(c(c1)S[13CH3])F 62a_200012359898_200025704644 [0,0,0,0,0,0|2,1,0]=3 108 B13R1.49 CNC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_200012359898 [0,0,0,0,0,0|2,1,0]=3 109 B13R1.49 CNC(C)c1ccc(c(c1)OC)Br 269862a_106832991636_100010110075 [0,0,0,0,0,0|3,0,1]=4 110 B13R1.49 CNC(C)c1ccc(c(c1)OC)C 269862a_106832991636_100012706825 [0,0,0,0,0,0|3,0,1]=4 111 B13R1.49 CNC(C)c1ccc(c(c1)OC)Cl 269862a_106832991636_100012002813 [0,0,0,0,0,0|3,0,1]=4 112 B13R1.49 CNC(C)c1ccc(c(c1)OC)F 269862a_106832991636_100000694624 [0,0,0,0,0,0|3,0,1]=4 113 B13R1.49 CN[C@@H](C)c1ccc(c(c1)OC)F 2230a_100025717271_200000210301 [0,0,0,0,0,0|3,0,1]=4 114 B13R1.49 CN[C@@H](C)c1ccc(c(c1)OC)F 34a_100025717271_200000210301 [0,0,0,0,0,0|3,0,1]=4 115 B13R1.49 CNc1cc(cnc1F)C(=O)OC 27a_100102657272_100000117919 [0,0,0,0,0,0|3,0,0]=3 116 B13R1.49 CNc1nc(cnc1C)C(=O)OC 27a_100102657272_200010778766 [0,0,0,0,0,0|4,0,0]=4 117 B13R1.49 CNc1nc(cnc1F)C(=O)OC 27a_100102657272_100010896985 [0,0,0,0,0,0|4,0,0]=4 118 B13R1.49 COC(=O)c1cc(c(cn1)C)SC 62a_100000065005_200000210301 [0,0,0,0,0,0|2,1,0]=3 119 B13R1.49 COC(=O)c1cc(c(cn1)C)SC 62a_200000210301_100000065005 [0,0,0,0,0,0|2,1,0]=3 120 B13R1.49 COC(=O)c1cc(c(cn1)C)S[13CH3] 62a_100000065005_200025704644 [0,0,0,0,0,0|2,1,0]=3 121 B13R1.49 COC(=O)c1cc(c(cn1)C)S[13CH3] 62a_200025704644_100000065005 [0,0,0,0,0,0|2,1,0]=3 122 B13R1.49 COC(=O)c1cc(c(cn1)O)OC 271570a_203496583355_100010136178 [0,0,0,0,0,0|1,0,0]=1 123 B13R1.49 COC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010150795 [0,0,0,0,0,0|2,0,0]=2 124 B13R1.49 COC(=O)c1ccc(c(c1)C=O)O 271570a_203496583355_100012274322 [0,0,0,0,0,0|2,0,0]=2 125 B13R1.49 COC(=O)c1ccc(c(c1)CO)O 271570a_203496583355_100010201863 [0,0,0,0,0,0|2,0,0]=2 126 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 34a_100011934688_200000210301 [0,0,0,0,0,0|1,0,0]=1 127 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 7a_100011934688_200000210301 [0,0,0,0,0,0|1,0,0]=1 128 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 34a_100000736511_200000210301 [0,0,0,0,0,0|1,0,0]=1 129 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 7a_100000736511_200000210301 [0,0,0,0,0,0|1,0,0]=1 130 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 34a_100000103815_200000210301 [0,0,0,0,0,0|1,0,0]=1 131 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 7a_100000103815_200000210301 [0,0,0,0,0,0|1,0,0]=1 132 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 34a_100000062259_200000210301 [0,0,0,0,0,0|1,0,0]=1 133 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 7a_100000062259_200000210301 [0,0,0,0,0,0|1,0,0]=1 134 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 34a_100012350776_200000210301 [0,0,0,0,0,0|1,0,0]=1 135 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 7a_100012350776_200000210301 [0,0,0,0,0,0|1,0,0]=1 136 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 34a_100000757247_200000210301 [0,0,0,0,0,0|1,0,0]=1 137 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 7a_100000757247_200000210301 [0,0,0,0,0,0|1,0,0]=1 138 B13R1.49 COC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100009816954 [0,0,0,0,0,0|0,0,0]=0 139 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 34a_100011934688_200025704644 [0,0,0,0,0,0|1,0,0]=1 140 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 7a_100011934688_200025704644 [0,0,0,0,0,0|1,0,0]=1 141 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000736511_200025704644 [0,0,0,0,0,0|1,0,0]=1 142 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000736511_200025704644 [0,0,0,0,0,0|1,0,0]=1 143 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 34a_100000103815_200025704644 [0,0,0,0,0,0|1,0,0]=1 144 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 7a_100000103815_200025704644 [0,0,0,0,0,0|1,0,0]=1 145 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000062259_200025704644 [0,0,0,0,0,0|1,0,0]=1 146 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000062259_200025704644 [0,0,0,0,0,0|1,0,0]=1 147 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 34a_100012350776_200025704644 [0,0,0,0,0,0|1,0,0]=1 148 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 7a_100012350776_200025704644 [0,0,0,0,0,0|1,0,0]=1 149 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 34a_100000757247_200025704644 [0,0,0,0,0,0|1,0,0]=1 150 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 7a_100000757247_200025704644 [0,0,0,0,0,0|1,0,0]=1 151 B13R1.49 COC(=O)c1ccc(c(c1)SC)Br 62a_100012349818_200000210301 [0,0,0,0,0,0|1,1,0]=2 152 B13R1.49 COC(=O)c1ccc(c(c1)SC)Br 62a_200000210301_100012349818 [0,0,0,0,0,0|1,1,0]=2 153 B13R1.49 COC(=O)c1ccc(c(c1)SC)C 62a_100000723194_200000210301 [0,0,0,0,0,0|1,1,0]=2 154 B13R1.49 COC(=O)c1ccc(c(c1)SC)C 62a_200000210301_100000723194 [0,0,0,0,0,0|1,1,0]=2 155 B13R1.49 COC(=O)c1ccc(c(c1)SC)Cl 62a_100011294800_200000210301 [0,0,0,0,0,0|1,1,0]=2 156 B13R1.49 COC(=O)c1ccc(c(c1)SC)Cl 62a_200000210301_100011294800 [0,0,0,0,0,0|1,1,0]=2 157 B13R1.49 COC(=O)c1ccc(c(c1)SC)F 62a_100000722584_200000210301 [0,0,0,0,0,0|1,1,0]=2 158 B13R1.49 COC(=O)c1ccc(c(c1)SC)F 62a_200000210301_100000722584 [0,0,0,0,0,0|1,1,0]=2 159 B13R1.49 COC(=O)c1ccc(c(c1)SC)N 62a_100000187552_200000210301 [0,0,0,0,0,0|1,1,0]=2 160 B13R1.49 COC(=O)c1ccc(c(c1)SC)N 62a_200000210301_100000187552 [0,0,0,0,0,0|1,1,0]=2 161 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_100000216328_200000210301 [0,0,0,0,0,0|0,1,0]=1 162 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_200000210301_100000216328 [0,0,0,0,0,0|0,1,0]=1 163 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100012349818_200025704644 [0,0,0,0,0,0|1,1,0]=2 164 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012349818 [0,0,0,0,0,0|1,1,0]=2 165 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])C 62a_100000723194_200025704644 [0,0,0,0,0,0|1,1,0]=2 166 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100000723194 [0,0,0,0,0,0|1,1,0]=2 167 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Cl 62a_100011294800_200025704644 [0,0,0,0,0,0|1,1,0]=2 168 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100011294800 [0,0,0,0,0,0|1,1,0]=2 169 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000722584_200025704644 [0,0,0,0,0,0|1,1,0]=2 170 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000722584 [0,0,0,0,0,0|1,1,0]=2 171 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])N 62a_100000187552_200025704644 [0,0,0,0,0,0|1,1,0]=2 172 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])N 62a_200025704644_100000187552 [0,0,0,0,0,0|1,1,0]=2 173 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_100000216328_200025704644 [0,0,0,0,0,0|0,1,0]=1 174 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_200025704644_100000216328 [0,0,0,0,0,0|0,1,0]=1 175 B13R1.49 COC(=O)c1ccc(c(n1)C#N)O 271570a_203496583355_100010187627 [0,0,0,0,0,0|3,0,0]=3 176 B13R1.49 COC(=O)c1ccc(c(n1)OC)O 271570a_203496583355_100010189641 [0,0,0,0,0,0|1,0,0]=1 177 B13R1.49 COC(=O)c1ccc(c(n1)SC)C 62a_100010143800_200000210301 [0,0,0,0,0,0|2,1,0]=3 178 B13R1.49 COC(=O)c1ccc(c(n1)SC)C 62a_200000210301_100010143800 [0,0,0,0,0,0|2,1,0]=3 179 B13R1.49 COC(=O)c1ccc(c(n1)SC)F 62a_100010189626_200000210301 [0,0,0,0,0,0|2,1,0]=3 180 B13R1.49 COC(=O)c1ccc(c(n1)SC)F 62a_200000210301_100010189626 [0,0,0,0,0,0|2,1,0]=3 181 B13R1.49 COC(=O)c1ccc(c(n1)SC)O 62a_200000210301_200009815348 [0,0,0,0,0,0|1,1,0]=2 182 B13R1.49 COC(=O)c1ccc(c(n1)SC)O 62a_200009815348_200000210301 [0,0,0,0,0,0|1,1,0]=2 183 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])C 62a_100010143800_200025704644 [0,0,0,0,0,0|2,1,0]=3 184 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])C 62a_200025704644_100010143800 [0,0,0,0,0,0|2,1,0]=3 185 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])F 62a_100010189626_200025704644 [0,0,0,0,0,0|2,1,0]=3 186 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])F 62a_200025704644_100010189626 [0,0,0,0,0,0|2,1,0]=3 187 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])O 62a_200009815348_200025704644 [0,0,0,0,0,0|1,1,0]=2 188 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])O 62a_200025704644_200009815348 [0,0,0,0,0,0|1,1,0]=2 189 B13R1.49 COC(=O)c1cnc(c(c1)OC)Cl 34a_100009840551_200000210301 [0,0,0,0,0,0|2,0,0]=2 190 B13R1.49 COC(=O)c1cnc(c(c1)OC)Cl 7a_100009840551_200000210301 [0,0,0,0,0,0|2,0,0]=2 191 B13R1.49 COC(=O)c1cnc(c(c1)OC)I 34a_100010999399_200000210301 [0,0,0,0,0,0|2,0,0]=2 192 B13R1.49 COC(=O)c1cnc(c(c1)OC)I 7a_100010999399_200000210301 [0,0,0,0,0,0|2,0,0]=2 193 B13R1.49 COC(=O)c1cnc(c(c1)OC)N 34a_100009857207_200000210301 [0,0,0,0,0,0|2,0,0]=2 194 B13R1.49 COC(=O)c1cnc(c(c1)OC)N 7a_100009857207_200000210301 [0,0,0,0,0,0|2,0,0]=2 195 B13R1.49 COC(=O)c1cnc(c(c1)OC)O 271570a_203496583355_100010074909 [0,0,0,0,0,0|1,0,0]=1 196 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])Cl 34a_100009840551_200025704644 [0,0,0,0,0,0|2,0,0]=2 197 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])Cl 7a_100009840551_200025704644 [0,0,0,0,0,0|2,0,0]=2 198 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])I 34a_100010999399_200025704644 [0,0,0,0,0,0|2,0,0]=2 199 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])I 7a_100010999399_200025704644 [0,0,0,0,0,0|2,0,0]=2 200 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])N 34a_100009857207_200025704644 [0,0,0,0,0,0|2,0,0]=2 201 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])N 7a_100009857207_200025704644 [0,0,0,0,0,0|2,0,0]=2 202 B13R1.49 COC(=O)c1cnc(c(c1)SC)Cl 62a_100010188758_200000210301 [0,0,0,0,0,0|2,1,0]=3 203 B13R1.49 COC(=O)c1cnc(c(c1)SC)Cl 62a_200000210301_100010188758 [0,0,0,0,0,0|2,1,0]=3 204 B13R1.49 COC(=O)c1cnc(c(c1)SC)F 62a_100000117919_200000210301 [0,0,0,0,0,0|2,1,0]=3 205 B13R1.49 COC(=O)c1cnc(c(c1)SC)F 62a_200000210301_100000117919 [0,0,0,0,0,0|2,1,0]=3 206 B13R1.49 COC(=O)c1cnc(c(c1)SC)N 62a_100009816800_200000210301 [0,0,0,0,0,0|2,1,0]=3 207 B13R1.49 COC(=O)c1cnc(c(c1)SC)N 62a_200000210301_100009816800 [0,0,0,0,0,0|2,1,0]=3 208 B13R1.49 COC(=O)c1cnc(c(c1)SC)O 62a_100010109663_200000210301 [0,0,0,0,0,0|1,1,0]=2 209 B13R1.49 COC(=O)c1cnc(c(c1)SC)O 62a_200000210301_100010109663 [0,0,0,0,0,0|1,1,0]=2 210 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])Cl 62a_100010188758_200025704644 [0,0,0,0,0,0|2,1,0]=3 211 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])Cl 62a_200025704644_100010188758 [0,0,0,0,0,0|2,1,0]=3 212 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])F 62a_100000117919_200025704644 [0,0,0,0,0,0|2,1,0]=3 213 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])F 62a_200025704644_100000117919 [0,0,0,0,0,0|2,1,0]=3 214 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])N 62a_100009816800_200025704644 [0,0,0,0,0,0|2,1,0]=3 215 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])N 62a_200025704644_100009816800 [0,0,0,0,0,0|2,1,0]=3 216 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])O 62a_100010109663_200025704644 [0,0,0,0,0,0|1,1,0]=2 217 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])O 62a_200025704644_100010109663 [0,0,0,0,0,0|1,1,0]=2 218 B13R1.49 COC(=O)c1cnc(c(n1)SC)C 62a_200000210301_200010778766 [0,0,0,0,0,0|3,1,0]=4 219 B13R1.49 COC(=O)c1cnc(c(n1)SC)C 62a_200010778766_200000210301 [0,0,0,0,0,0|3,1,0]=4 220 B13R1.49 COC(=O)c1cnc(c(n1)SC)F 62a_100010896985_200000210301 [0,0,0,0,0,0|3,1,0]=4 221 B13R1.49 COC(=O)c1cnc(c(n1)SC)F 62a_200000210301_100010896985 [0,0,0,0,0,0|3,1,0]=4 222 B13R1.49 COC(=O)c1cnc(c(n1)S[13CH3])C 62a_200010778766_200025704644 [0,0,0,0,0,0|3,1,0]=4 223 B13R1.49 COC(=O)c1cnc(c(n1)S[13CH3])C 62a_200025704644_200010778766 [0,0,0,0,0,0|3,1,0]=4 224 B13R1.49 COC(=O)c1cnc(c(n1)S[13CH3])F 62a_100010896985_200025704644 [0,0,0,0,0,0|3,1,0]=4 225 B13R1.49 COC(=O)c1cnc(c(n1)S[13CH3])F 62a_200025704644_100010896985 [0,0,0,0,0,0|3,1,0]=4 226 B13R1.49 COC(=O)c1coc(=O)c(c1)SC 62a_100009812866_200000210301 [0,0,0,0,0,0|1,1,1]=3 227 B13R1.49 COC(=O)c1coc(=O)c(c1)SC 62a_200000210301_100009812866 [0,0,0,0,0,0|1,1,1]=3 228 B13R1.49 COC(=O)c1coc(=O)c(c1)S[13CH3] 62a_100009812866_200025704644 [0,0,0,0,0,0|1,1,1]=3 229 B13R1.49 COC(=O)c1coc(=O)c(c1)S[13CH3] 62a_200025704644_100009812866 [0,0,0,0,0,0|1,1,1]=3 230 B13R1.49 COc1cc(ccc1Br)C(=O)CF 1458a_100011934951_100015361967 [0,0,0,0,0,0|3,0,0]=3 231 B13R1.49 COc1cc(ccc1C)C(=O)CF 1458a_100000212341_100015361967 [0,0,0,0,0,0|3,0,0]=3 232 B13R1.49 COc1cc(ccc1Cl)C(=O)CF 1458a_100000181799_100015361967 [0,0,0,0,0,0|3,0,0]=3 233 B13R1.49 COc1cc(ccc1F)C(=O)CF 1458a_100000757635_100015361967 [0,0,0,0,0,0|3,0,0]=3 234 B13R1.49 COc1cc(ccc1F)[C@H](C)N[13CH3] 2230a_100025717271_200025704644 [0,0,0,0,0,0|3,0,1]=4 235 B13R1.49 COc1cc(ccc1F)[C@H](C)N[13CH3] 34a_100025717271_200025704644 [0,0,0,0,0,0|3,0,1]=4 236 B13R1.49 COc1cc(ccc1I)C(=O)CF 1458a_100012356290_100015361967 [0,0,0,0,0,0|3,0,0]=3 237 B13R1.49 COc1cc(ccc1N)C(=O)NN 34a_200000073589_200000210301 [0,0,0,0,0,0|3,0,0]=3 238 B13R1.49 COc1cc(ccc1O)C(=O)CF 1458a_100000687070_100015361967 [0,0,0,0,0,0|2,0,0]=2 239 B13R1.49 CSc1cc(ccc1C)C(=O)NN 62a_100000188075_200000210301 [0,0,0,0,0,0|3,1,0]=4 240 B13R1.49 CSc1cc(ccc1C)C(=O)NN 62a_200000210301_100000188075 [0,0,0,0,0,0|3,1,0]=4 241 B13R1.49 CSc1cc(ccc1Cl)C(=O)NN 62a_100000046573_200000210301 [0,0,0,0,0,0|3,1,0]=4 242 B13R1.49 CSc1cc(ccc1Cl)C(=O)NN 62a_200000210301_100000046573 [0,0,0,0,0,0|3,1,0]=4 243 B13R1.49 Cc1ccc(cc1S[13CH3])C(=O)NN 62a_100000188075_200025704644 [0,0,0,0,0,0|3,1,0]=4 244 B13R1.49 Cc1ccc(cc1S[13CH3])C(=O)NN 62a_200025704644_100000188075 [0,0,0,0,0,0|3,1,0]=4 245 B13R1.49 N#Cc1cc(ccc1O)C(=O)CF 1458a_100009875055_100015361967 [0,0,0,0,0,0|4,0,0]=4 246 B13R1.49 [13CH3]Oc1cc(ccc1N)C(=O)NN 34a_200000073589_200025704644 [0,0,0,0,0,0|3,0,0]=3 247 B13R1.49 [13CH3]Sc1cc(ccc1Cl)C(=O)NN 62a_100000046573_200025704644 [0,0,0,0,0,0|3,1,0]=4 248 B13R1.49 [13CH3]Sc1cc(ccc1Cl)C(=O)NN 62a_200025704644_100000046573 [0,0,0,0,0,0|3,1,0]=4 249 B12R1.56 C#Cc1cc(ccc1C)C(=O)C 1458a_200012278110_200000210301 [1,0,0,0,0,0|2,0,1]=4 250 B12R1.56 C#Cc1cc(ccc1C)C(=O)[13CH3] 1458a_200012278110_200025704644 [1,0,0,0,0,0|2,0,1]=4 251 B12R1.56 C=C(C)c1c[nH]c(=O)c(c1)OC 271570a_100000694244_100010125397 [1,0,0,0,0,0|2,0,1]=4 252 B12R1.56 C=C(C)c1cc(c(cn1)C)OC 271570a_100000694244_100010067687 [1,0,0,0,0,0|3,0,0]=4 253 B12R1.56 C=C(C)c1cc(c(cn1)F)OC 271570a_100000694244_200010136270 [1,0,0,0,0,0|3,0,0]=4 254 B12R1.56 C=C(C)c1cc(c(cn1)N)OC 271570a_100000694244_100009887741 [1,0,0,0,0,0|3,0,0]=4 255 B12R1.56 C=C(C)c1ccc(c(c1)C#N)O 271570a_100000694244_100000687585 [1,0,0,0,0,0|3,0,0]=4 256 B12R1.56 C=C(C)c1ccc(c(c1)C=O)O 271570a_100000694244_100000186750 [1,0,0,0,0,0|3,0,0]=4 257 B12R1.56 C=C(C)c1ccc(c(c1)CC)Br 271570a_100000694244_100010244631 [1,0,0,0,0,0|3,0,0]=4 258 B12R1.56 C=C(C)c1ccc(c(c1)CC)F 271570a_100000694244_100010244625 [1,0,0,0,0,0|3,0,0]=4 259 B12R1.56 C=C(C)c1ccc(c(c1)CC)N 271570a_100000694244_100000686106 [1,0,0,0,0,0|3,0,0]=4 260 B12R1.56 C=C(C)c1ccc(c(c1)CC)O 271570a_100000694244_100012338938 [1,0,0,0,0,0|2,0,0]=3 261 B12R1.56 C=C(C)c1ccc(c(c1)CN)O 271570a_100000694244_100000730032 [1,0,0,0,0,0|3,0,0]=4 262 B12R1.56 C=C(C)c1ccc(c(c1)CO)O 271570a_100000694244_100000184703 [1,0,0,0,0,0|3,0,0]=4 263 B12R1.56 C=C(C)c1ccc(c(c1)NC)C 271570a_100000694244_100020629602 [1,0,0,0,0,0|3,0,0]=4 264 B12R1.56 C=C(C)c1ccc(c(c1)NC)F 271570a_100000694244_100011314990 [1,0,0,0,0,0|3,0,0]=4 265 B12R1.56 C=C(C)c1ccc(c(c1)NC)N 271570a_100000694244_100000694363 [1,0,0,0,0,0|3,0,0]=4 266 B12R1.56 C=C(C)c1ccc(c(c1)OC)Br 271570a_100000694244_100012353699 [1,0,0,0,0,0|2,0,0]=3 267 B12R1.56 C=C(C)c1ccc(c(c1)OC)C 271570a_100000694244_100011830276 [1,0,0,0,0,0|2,0,0]=3 268 B12R1.56 C=C(C)c1ccc(c(c1)OC)Cl 271570a_100000694244_100011356853 [1,0,0,0,0,0|2,0,0]=3 269 B12R1.56 C=C(C)c1ccc(c(c1)OC)F 271570a_100000694244_100011934186 [1,0,0,0,0,0|2,0,0]=3 270 B12R1.56 C=C(C)c1ccc(c(c1)OC)N 271570a_100000694244_100011279103 [1,0,0,0,0,0|2,0,0]=3 271 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [1,0,0,0,0,0|1,0,0]=2 272 B12R1.56 C=C(C)c1ccc(c(c1)SC)F 271570a_100000694244_100010341305 [1,0,0,0,0,0|2,1,0]=4 273 B12R1.56 C=C(C)c1ccc(c(n1)OC)N 271570a_100000694244_100000687816 [1,0,0,0,0,0|3,0,0]=4 274 B12R1.56 C=C(C)c1ccc(c(n1)OC)O 271570a_100000694244_100010893133 [1,0,0,0,0,0|2,0,0]=3 275 B12R1.56 C=C(C)c1cnc(c(c1)OC)C 271570a_100000694244_100010254219 [1,0,0,0,0,0|3,0,0]=4 276 B12R1.56 C=C(C)c1cnc(c(c1)OC)F 271570a_100000694244_100010214931 [1,0,0,0,0,0|3,0,0]=4 277 B12R1.56 C=C(C)c1cnc(c(c1)OC)N 271570a_100000694244_106354213024 [1,0,0,0,0,0|3,0,0]=4 278 B12R1.56 C=C(C)c1cnc(c(n1)OC)O 271570a_100000694244_200010365344 [1,0,0,0,0,0|3,0,0]=4 279 B12R1.56 C=Cc1cc(ccc1Br)C(=O)C 271570a_100011290941_100010146556 [1,0,0,0,0,0|2,0,1]=4 280 B12R1.56 C=Cc1cc(ccc1C)C(=O)C 271570a_100011290941_100011934287 [1,0,0,0,0,0|2,0,1]=4 281 B12R1.56 C=Cc1cc(ccc1F)C(=O)C 271570a_100011290941_100000239719 [1,0,0,0,0,0|2,0,1]=4 282 B12R1.56 C=Cc1cc(ccc1N)C(=O)C 271570a_100011290941_100012029215 [1,0,0,0,0,0|2,0,1]=4 283 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [1,0,0,0,0,0|1,0,1]=3 284 B12R1.56 CC(=O)c1ccc(c(c1)C#N)Br 1458a_100010253904_200000210301 [1,0,0,0,0,0|3,0,0]=4 285 B12R1.56 CC(=O)c1ccc(c(c1)C#N)Cl 1458a_100000696165_200000210301 [1,0,0,0,0,0|3,0,0]=4 286 B12R1.56 CC(=O)c1ccc(c(c1)C#N)F 1458a_100000697239_200000210301 [1,0,0,0,0,0|3,0,0]=4 287 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200000210301 [1,0,0,0,0,0|2,0,0]=3 288 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010125495 [1,0,0,0,0,0|2,0,0]=3 289 B12R1.56 CC(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200000210301 [1,0,0,0,0,0|3,0,0]=4 290 B12R1.56 CC(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200000210301 [1,0,0,0,0,0|3,0,0]=4 291 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [1,0,0,0,0,0|1,0,0]=2 292 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [1,0,0,0,0,0|1,0,0]=2 293 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [1,0,0,0,0,0|1,0,0]=2 294 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [1,0,0,0,0,0|1,0,0]=2 295 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100010146556_200025704644 [1,0,0,0,0,0|1,1,0]=3 296 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100010146556 [1,0,0,0,0,0|1,1,0]=3 297 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_100011934287_200025704644 [1,0,0,0,0,0|1,1,0]=3 298 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100011934287 [1,0,0,0,0,0|1,1,0]=3 299 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000239719_200025704644 [1,0,0,0,0,0|1,1,0]=3 300 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000239719 [1,0,0,0,0,0|1,1,0]=3 301 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])N 62a_100012029215_200025704644 [1,0,0,0,0,0|1,1,0]=3 302 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [1,0,0,0,0,0|0,1,0]=2 303 B12R1.56 CC(=O)c1cnc(c(c1)S[13CH3])F 62a_200010135287_200025704644 [1,0,0,0,0,0|2,1,0]=4 304 B12R1.56 CC(=O)c1cnc(c(c1)S[13CH3])F 62a_200025704644_200010135287 [1,0,0,0,0,0|2,1,0]=4 305 B12R1.56 CC(C)c1ccc(c(c1)N[13CH3])O 34a_200000187366_200025704644 [1,0,0,0,0,0|2,0,1]=4 306 B12R1.56 CC(C)c1ccc(c(c1)N[13CH3])O 7a_200000187366_200025704644 [1,0,0,0,0,0|2,0,1]=4 307 B12R1.56 CCc1cc(ccc1Br)C(=O)C 1458a_100010152358_200000210301 [1,0,0,0,0,0|2,0,0]=3 308 B12R1.56 CCc1cc(ccc1Br)C(=O)[13CH3] 1458a_100010152358_200025704644 [1,0,0,0,0,0|2,0,0]=3 309 B12R1.56 CCc1cc(ccc1Cl)C(=O)C 1458a_100000102533_200000210301 [1,0,0,0,0,0|2,0,0]=3 310 B12R1.56 CCc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000102533_200025704644 [1,0,0,0,0,0|2,0,0]=3 311 B12R1.56 CCc1cc(ccc1F)C(=O)C 1458a_100009883079_200000210301 [1,0,0,0,0,0|2,0,0]=3 312 B12R1.56 CCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009883079_200025704644 [1,0,0,0,0,0|2,0,0]=3 313 B12R1.56 CNc1cc(ccc1C)C(=O)N 34a_100000188646_200000210301 [1,0,0,0,0,0|3,0,0]=4 314 B12R1.56 CNc1cc(ccc1C)C(=O)N 7a_100000188646_200000210301 [1,0,0,0,0,0|3,0,0]=4 315 B12R1.56 CNc1cc(ccc1Cl)C(=O)N 34a_100000736751_200000210301 [1,0,0,0,0,0|3,0,0]=4 316 B12R1.56 CNc1cc(ccc1F)C(=O)N 34a_100000740466_200000210301 [1,0,0,0,0,0|3,0,0]=4 317 B12R1.56 CNc1cc(ccc1O)C(C)C 34a_200000187366_200000210301 [1,0,0,0,0,0|2,0,1]=4 318 B12R1.56 CNc1cc(ccc1O)C(C)C 7a_200000187366_200000210301 [1,0,0,0,0,0|2,0,1]=4 319 B12R1.56 CNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200000210301 [1,0,0,0,0,0|2,0,1]=4 320 B12R1.56 CNc1cc(cnc1F)C(=O)C 27a_100102657272_200010135287 [1,0,0,0,0,0|3,0,0]=4 321 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [1,0,0,0,0,0|1,0,0]=2 322 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [1,0,0,0,0,0|2,0,0]=3 323 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [1,0,0,0,0,0|2,0,0]=3 324 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [1,0,0,0,0,0|1,0,0]=2 325 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200000210301 [1,0,0,0,0,0|2,0,1]=4 326 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200000210301 [1,0,0,0,0,0|2,0,1]=4 327 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [1,0,0,0,0,0|1,0,0]=2 328 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [1,0,0,0,0,0|1,0,0]=2 329 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [1,0,0,0,0,0|1,0,0]=2 330 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [1,0,0,0,0,0|1,0,0]=2 331 B12R1.56 COc1cc(ccc1C)C(C)C 34a_100000212073_200000210301 [1,0,0,0,0,0|2,0,1]=4 332 B12R1.56 COc1cc(ccc1C)C(C)C 7a_100000212073_200000210301 [1,0,0,0,0,0|2,0,1]=4 333 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_200000210301 [1,0,0,0,0,0|2,0,1]=4 334 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_200000210301 [1,0,0,0,0,0|2,0,1]=4 335 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [1,0,0,0,0,0|1,0,0]=2 336 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [1,0,0,0,0,0|1,0,0]=2 337 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200000210301 [1,0,0,0,0,0|2,0,1]=4 338 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200000210301 [1,0,0,0,0,0|2,0,1]=4 339 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [1,0,0,0,0,0|1,0,0]=2 340 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [1,0,0,0,0,0|1,0,0]=2 341 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [1,0,0,0,0,0|1,0,0]=2 342 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [1,0,0,0,0,0|1,0,0]=2 343 B12R1.56 COc1cc(ccc1F)N(C)C 2230a_200012002703_200000210301 [1,0,0,0,0,0|3,0,0]=4 344 B12R1.56 COc1cc(ccc1F)N(C)C 269982a_200012002703_200000210301 [1,0,0,0,0,0|3,0,0]=4 345 B12R1.56 COc1cc(ccc1F)N(C)C 34a_200012002703_200000210301 [1,0,0,0,0,0|3,0,0]=4 346 B12R1.56 COc1cc(ccc1F)N(C)C 38a_200012002703_200000210301 [1,0,0,0,0,0|3,0,0]=4 347 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 2230a_200012002703_200025704644 [1,0,0,0,0,0|3,0,0]=4 348 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 269982a_200012002703_200025704644 [1,0,0,0,0,0|3,0,0]=4 349 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 34a_200012002703_200025704644 [1,0,0,0,0,0|3,0,0]=4 350 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 38a_200012002703_200025704644 [1,0,0,0,0,0|3,0,0]=4 351 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200000210301 [1,0,0,0,0,0|2,0,1]=4 352 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200000210301 [1,0,0,0,0,0|2,0,1]=4 353 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [1,0,0,0,0,0|1,0,0]=2 354 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [1,0,0,0,0,0|1,0,0]=2 355 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200000210301 [1,0,0,0,0,0|2,0,1]=4 356 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200000210301 [1,0,0,0,0,0|2,0,1]=4 357 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [1,0,0,0,0,0|2,0,0]=3 358 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [1,0,0,0,0,0|2,0,0]=3 359 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200000210301 [1,0,0,0,0,0|2,0,1]=4 360 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200000210301 [1,0,0,0,0,0|2,0,1]=4 361 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [1,0,0,0,0,0|1,0,1]=3 362 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [1,0,0,0,0,0|0,0,0]=1 363 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [1,0,0,0,0,0|0,0,0]=1 364 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [1,0,0,0,0,0|1,0,0]=2 365 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [1,0,0,0,0,0|0,0,0]=1 366 B12R1.56 COc1cc(ccc1O)C(C)C 271570a_203496583355_100021623167 [1,0,0,0,0,0|1,0,1]=3 367 B12R1.56 COc1cc(cnc1O)B(O)O 271570a_203496583355_100009846025 [1,0,0,0,0,0|2,0,1]=4 368 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_100010146556_200000210301 [1,0,0,0,0,0|1,1,0]=3 369 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_200000210301_100010146556 [1,0,0,0,0,0|1,1,0]=3 370 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_100011934287_200000210301 [1,0,0,0,0,0|1,1,0]=3 371 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_200000210301_100011934287 [1,0,0,0,0,0|1,1,0]=3 372 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_100000186401_200000210301 [1,0,0,0,0,0|2,1,0]=4 373 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_200000210301_100000186401 [1,0,0,0,0,0|2,1,0]=4 374 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_100000239719_200000210301 [1,0,0,0,0,0|1,1,0]=3 375 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_200000210301_100000239719 [1,0,0,0,0,0|1,1,0]=3 376 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_100011202321_200000210301 [1,0,0,0,0,0|2,1,0]=4 377 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_200000210301_100011202321 [1,0,0,0,0,0|2,1,0]=4 378 B12R1.56 CSc1cc(ccc1N)C(=O)C 62a_100012029215_200000210301 [1,0,0,0,0,0|1,1,0]=3 379 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [1,0,0,0,0,0|0,1,0]=2 380 B12R1.56 CSc1cc(cnc1F)C(=O)C 62a_200000210301_200010135287 [1,0,0,0,0,0|2,1,0]=4 381 B12R1.56 CSc1cc(cnc1F)C(=O)C 62a_200010135287_200000210301 [1,0,0,0,0,0|2,1,0]=4 382 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 34a_100000188646_200025704644 [1,0,0,0,0,0|3,0,0]=4 383 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 7a_100000188646_200025704644 [1,0,0,0,0,0|3,0,0]=4 384 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 34a_100000212073_200025704644 [1,0,0,0,0,0|2,0,1]=4 385 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 7a_100000212073_200025704644 [1,0,0,0,0,0|2,0,1]=4 386 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000740739_200025704644 [1,0,0,0,0,0|2,0,1]=4 387 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000740739_200025704644 [1,0,0,0,0,0|2,0,1]=4 388 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_100000186401_200025704644 [1,0,0,0,0,0|2,1,0]=4 389 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_200025704644_100000186401 [1,0,0,0,0,0|2,1,0]=4 390 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)Br 1458a_100010253904_200025704644 [1,0,0,0,0,0|3,0,0]=4 391 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)Cl 1458a_100000696165_200025704644 [1,0,0,0,0,0|3,0,0]=4 392 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)F 1458a_100000697239_200025704644 [1,0,0,0,0,0|3,0,0]=4 393 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200025704644 [1,0,0,0,0,0|2,0,0]=3 394 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200025704644 [1,0,0,0,0,0|3,0,0]=4 395 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200025704644 [1,0,0,0,0,0|3,0,0]=4 396 B12R1.56 [13CH3]Nc1cc(ccc1Cl)C(=O)N 34a_100000736751_200025704644 [1,0,0,0,0,0|3,0,0]=4 397 B12R1.56 [13CH3]Nc1cc(ccc1F)C(=O)N 34a_100000740466_200025704644 [1,0,0,0,0,0|3,0,0]=4 398 B12R1.56 [13CH3]Nc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200025704644 [1,0,0,0,0,0|2,0,1]=4 399 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [1,0,0,0,0,0|2,0,0]=3 400 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [1,0,0,0,0,0|2,0,0]=3 401 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200025704644 [1,0,0,0,0,0|2,0,1]=4 402 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200025704644 [1,0,0,0,0,0|2,0,1]=4 403 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200025704644 [1,0,0,0,0,0|2,0,1]=4 404 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200025704644 [1,0,0,0,0,0|2,0,1]=4 405 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200025704644 [1,0,0,0,0,0|2,0,1]=4 406 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200025704644 [1,0,0,0,0,0|2,0,1]=4 407 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200025704644 [1,0,0,0,0,0|2,0,1]=4 408 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200025704644 [1,0,0,0,0,0|2,0,1]=4 409 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [1,0,0,0,0,0|2,0,0]=3 410 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [1,0,0,0,0,0|2,0,0]=3 411 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200025704644 [1,0,0,0,0,0|2,0,1]=4 412 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200025704644 [1,0,0,0,0,0|2,0,1]=4 413 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_100011202321_200025704644 [1,0,0,0,0,0|2,1,0]=4 414 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_200025704644_100011202321 [1,0,0,0,0,0|2,1,0]=4 415 B12R1.286 C=C=Cc1ccc(c(c1)CC)O 271570a_100015277604_100012338938 [1,0,0,0,0,0|2,0,1]=4 416 B12R1.286 C=C=Cc1ccc(c(c1)OC)Br 271570a_100015277604_100012353699 [1,0,0,0,0,0|2,0,1]=4 417 B12R1.286 C=C=Cc1ccc(c(c1)OC)C 271570a_100015277604_100011830276 [1,0,0,0,0,0|2,0,1]=4 418 B12R1.286 C=C=Cc1ccc(c(c1)OC)Cl 271570a_100015277604_100011356853 [1,0,0,0,0,0|2,0,1]=4 419 B12R1.286 C=C=Cc1ccc(c(c1)OC)F 271570a_100015277604_100011934186 [1,0,0,0,0,0|2,0,1]=4 420 B12R1.286 C=C=Cc1ccc(c(c1)OC)N 271570a_100015277604_100011279103 [1,0,0,0,0,0|2,0,1]=4 421 B12R1.286 C=C=Cc1ccc(c(c1)OC)O 271570a_100015277604_100000694246 [1,0,0,0,0,0|1,0,1]=3 422 B12R1.286 C=C=Cc1ccc(c(n1)OC)O 271570a_100015277604_100010893133 [1,0,0,0,0,0|2,0,1]=4 423 B12R1.286 CC=Cc1c[nH]c(=O)c(c1)OC 271570a_100016259895_100010125397 [1,0,0,0,0,0|2,0,1]=4 424 B12R1.286 CC=Cc1cc(c(cn1)C)OC 271570a_100016259895_100010067687 [1,0,0,0,0,0|3,0,0]=4 425 B12R1.286 CC=Cc1cc(c(cn1)F)OC 271570a_100016259895_200010136270 [1,0,0,0,0,0|3,0,0]=4 426 B12R1.286 CC=Cc1cc(c(cn1)N)OC 271570a_100016259895_100009887741 [1,0,0,0,0,0|3,0,0]=4 427 B12R1.286 CC=Cc1ccc(c(c1)C#N)O 271570a_100016259895_100000687585 [1,0,0,0,0,0|3,0,0]=4 428 B12R1.286 CC=Cc1ccc(c(c1)C=O)O 271570a_100016259895_100000186750 [1,0,0,0,0,0|3,0,0]=4 429 B12R1.286 CC=Cc1ccc(c(c1)CC)Br 271570a_100016259895_100010244631 [1,0,0,0,0,0|3,0,0]=4 430 B12R1.286 CC=Cc1ccc(c(c1)CC)F 271570a_100016259895_100010244625 [1,0,0,0,0,0|3,0,0]=4 431 B12R1.286 CC=Cc1ccc(c(c1)CC)N 271570a_100016259895_100000686106 [1,0,0,0,0,0|3,0,0]=4 432 B12R1.286 CC=Cc1ccc(c(c1)CC)O 271570a_100016259895_100012338938 [1,0,0,0,0,0|2,0,0]=3 433 B12R1.286 CC=Cc1ccc(c(c1)CN)O 271570a_100016259895_100000730032 [1,0,0,0,0,0|3,0,0]=4 434 B12R1.286 CC=Cc1ccc(c(c1)CO)O 271570a_100016259895_100000184703 [1,0,0,0,0,0|3,0,0]=4 435 B12R1.286 CC=Cc1ccc(c(c1)NC)C 271570a_100016259895_100020629602 [1,0,0,0,0,0|3,0,0]=4 436 B12R1.286 CC=Cc1ccc(c(c1)NC)F 271570a_100016259895_100011314990 [1,0,0,0,0,0|3,0,0]=4 437 B12R1.286 CC=Cc1ccc(c(c1)NC)N 271570a_100016259895_100000694363 [1,0,0,0,0,0|3,0,0]=4 438 B12R1.286 CC=Cc1ccc(c(c1)OC)Br 271570a_100016259895_100012353699 [1,0,0,0,0,0|2,0,0]=3 439 B12R1.286 CC=Cc1ccc(c(c1)OC)C 271570a_100016259895_100011830276 [1,0,0,0,0,0|2,0,0]=3 440 B12R1.286 CC=Cc1ccc(c(c1)OC)Cl 271570a_100016259895_100011356853 [1,0,0,0,0,0|2,0,0]=3 441 B12R1.286 CC=Cc1ccc(c(c1)OC)F 271570a_100016259895_100011934186 [1,0,0,0,0,0|2,0,0]=3 442 B12R1.286 CC=Cc1ccc(c(c1)OC)N 271570a_100016259895_100011279103 [1,0,0,0,0,0|2,0,0]=3 443 B12R1.286 CC=Cc1ccc(c(c1)OC)O 271570a_100016259895_100000694246 [1,0,0,0,0,0|1,0,0]=2 444 B12R1.286 CC=Cc1ccc(c(c1)SC)F 271570a_100016259895_100010341305 [1,0,0,0,0,0|2,1,0]=4 445 B12R1.286 CC=Cc1ccc(c(n1)OC)N 271570a_100016259895_100000687816 [1,0,0,0,0,0|3,0,0]=4 446 B12R1.286 CC=Cc1ccc(c(n1)OC)O 271570a_100016259895_100010893133 [1,0,0,0,0,0|2,0,0]=3 447 B12R1.286 CC=Cc1cnc(c(c1)OC)C 271570a_100016259895_100010254219 [1,0,0,0,0,0|3,0,0]=4 448 B12R1.286 CC=Cc1cnc(c(c1)OC)F 271570a_100016259895_100010214931 [1,0,0,0,0,0|3,0,0]=4 449 B12R1.286 CC=Cc1cnc(c(c1)OC)N 271570a_100016259895_106354213024 [1,0,0,0,0,0|3,0,0]=4 450 B12R1.286 CC=Cc1cnc(c(n1)OC)O 271570a_100016259895_200010365344 [1,0,0,0,0,0|3,0,0]=4 451 B12R1.286 CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210202 [1,0,0,0,0,0|3,0,0]=4 452 B12R1.286 CCNc1ccc(c(c1)OC)Br 34a_100000765947_100000210202 [1,0,0,0,0,0|3,0,0]=4 453 B12R1.286 CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210202 [1,0,0,0,0,0|3,0,0]=4 454 B12R1.286 CCNc1ccc(c(c1)OC)C 34a_100011279678_100000210202 [1,0,0,0,0,0|3,0,0]=4 455 B12R1.286 CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210202 [1,0,0,0,0,0|3,0,0]=4 456 B12R1.286 CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100000210202 [1,0,0,0,0,0|3,0,0]=4 457 B12R1.286 CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210202 [1,0,0,0,0,0|3,0,0]=4 458 B12R1.286 CCNc1ccc(c(c1)OC)F 34a_100000701188_100000210202 [1,0,0,0,0,0|3,0,0]=4 459 B12R1.286 CCNc1ccc(c(c1)OC)I 34a_100000746945_100000210202 [1,0,0,0,0,0|3,0,0]=4 460 B12R1.286 CCNc1ccc(c(c1)OC)O 34a_100000726020_100000210202 [1,0,0,0,0,0|2,0,0]=3 461 B12R1.286 CCOc1ccc(c(c1)OC)Br 34a_100011827694_100000210202 [1,0,0,0,0,0|3,0,0]=4 462 B12R1.286 CCOc1ccc(c(c1)OC)Br 7a_100011827694_100000210202 [1,0,0,0,0,0|3,0,0]=4 463 B12R1.286 CCOc1ccc(c(c1)OC)C 34a_100009865632_100000210202 [1,0,0,0,0,0|3,0,0]=4 464 B12R1.286 CCOc1ccc(c(c1)OC)C 7a_100009865632_100000210202 [1,0,0,0,0,0|3,0,0]=4 465 B12R1.286 CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000210202 [1,0,0,0,0,0|3,0,0]=4 466 B12R1.286 CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000210202 [1,0,0,0,0,0|3,0,0]=4 467 B12R1.286 CCOc1ccc(c(c1)OC)F 34a_100012001760_100000210202 [1,0,0,0,0,0|3,0,0]=4 468 B12R1.286 CCOc1ccc(c(c1)OC)F 7a_100012001760_100000210202 [1,0,0,0,0,0|3,0,0]=4 469 B12R1.286 CCOc1ccc(c(c1)OC)N 34a_100015326901_100000210202 [1,0,0,0,0,0|3,0,0]=4 470 B12R1.286 CCOc1ccc(c(c1)OC)N 7a_100015326901_100000210202 [1,0,0,0,0,0|3,0,0]=4 471 B12R1.286 CCSc1ccc(c(c1)CC)O 62a_100000210202_100012338938 [1,0,0,0,0,0|3,0,0]=4 472 B12R1.286 CCSc1ccc(c(c1)OC)Br 62a_100000210202_100012353699 [1,0,0,0,0,0|3,0,0]=4 473 B12R1.286 CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210202 [1,0,0,0,0,0|3,0,0]=4 474 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100000210202_100011830276 [1,0,0,0,0,0|3,0,0]=4 475 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210202 [1,0,0,0,0,0|3,0,0]=4 476 B12R1.286 CCSc1ccc(c(c1)OC)Cl 62a_100000210202_100011356853 [1,0,0,0,0,0|3,0,0]=4 477 B12R1.286 CCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210202 [1,0,0,0,0,0|3,0,0]=4 478 B12R1.286 CCSc1ccc(c(c1)OC)F 62a_100000210202_100011934186 [1,0,0,0,0,0|3,0,0]=4 479 B12R1.286 CCSc1ccc(c(c1)OC)F 62a_100011934186_100000210202 [1,0,0,0,0,0|3,0,0]=4 480 B12R1.286 CCSc1ccc(c(c1)OC)N 62a_100000210202_100015196925 [1,0,0,0,0,0|3,0,0]=4 481 B12R1.286 CCSc1ccc(c(c1)OC)N 62a_100011279103_100000210202 [1,0,0,0,0,0|3,0,0]=4 482 B12R1.286 CCSc1ccc(c(c1)OC)O 62a_100000210202_100000694246 [1,0,0,0,0,0|2,0,0]=3 483 B12R1.286 CCSc1ccc(c(n1)OC)O 62a_100000210202_100010893133 [1,0,0,0,0,0|3,0,0]=4 484 B12R1.286 CNCc1ccc(c(c1)OC)Br 207a_100102657272_100010244714 [1,0,0,0,0,0|2,0,1]=4 485 B12R1.286 CNCc1ccc(c(c1)OC)Br 2230a_106832991635_100010110085 [1,0,0,0,0,0|2,0,1]=4 486 B12R1.286 CNCc1ccc(c(c1)OC)Br 26a_100102657272_100011827694 [1,0,0,0,0,0|2,0,1]=4 487 B12R1.286 CNCc1ccc(c(c1)OC)Br 270004a_106832991635_100010244714 [1,0,0,0,0,0|2,0,1]=4 488 B12R1.286 CNCc1ccc(c(c1)OC)Br 34a_100102657272_100010110085 [1,0,0,0,0,0|2,0,1]=4 489 B12R1.286 CNCc1ccc(c(c1)OC)Br 7a_106832991635_100010110085 [1,0,0,0,0,0|2,0,1]=4 490 B12R1.286 CNCc1ccc(c(c1)OC)C 207a_100102657272_100000719150 [1,0,0,0,0,0|2,0,1]=4 491 B12R1.286 CNCc1ccc(c(c1)OC)C 270004a_106832991635_100000719150 [1,0,0,0,0,0|2,0,1]=4 492 B12R1.286 CNCc1ccc(c(c1)OC)Cl 207a_100102657272_100011998524 [1,0,0,0,0,0|2,0,1]=4 493 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_100015204853_200000210301 [1,0,0,0,0,0|2,0,1]=4 494 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_106832991635_200010214485 [1,0,0,0,0,0|2,0,1]=4 495 B12R1.286 CNCc1ccc(c(c1)OC)Cl 26a_100102657272_100012186310 [1,0,0,0,0,0|2,0,1]=4 496 B12R1.286 CNCc1ccc(c(c1)OC)Cl 270004a_106832991635_100011998524 [1,0,0,0,0,0|2,0,1]=4 497 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100015204853_200000210301 [1,0,0,0,0,0|2,0,1]=4 498 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100102657272_200010214485 [1,0,0,0,0,0|2,0,1]=4 499 B12R1.286 CNCc1ccc(c(c1)OC)Cl 7a_106832991635_200010214485 [1,0,0,0,0,0|2,0,1]=4 500 B12R1.286 CNCc1ccc(c(c1)OC)F 207a_100102657272_100000692873 [1,0,0,0,0,0|2,0,1]=4 501 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_100020626639_200000210301 [1,0,0,0,0,0|2,0,1]=4 502 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_106832991635_100012349856 [1,0,0,0,0,0|2,0,1]=4 503 B12R1.286 CNCc1ccc(c(c1)OC)F 270004a_106832991635_100000692873 [1,0,0,0,0,0|2,0,1]=4 504 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100020626639_200000210301 [1,0,0,0,0,0|2,0,1]=4 505 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100102657272_100012349856 [1,0,0,0,0,0|2,0,1]=4 506 B12R1.286 CNCc1ccc(c(c1)OC)F 7a_106832991635_100012349856 [1,0,0,0,0,0|2,0,1]=4 507 B12R1.286 CNCc1ccc(c(c1)OC)O 34a_100000185554_200000210301 [1,0,0,0,0,0|1,0,1]=3 508 B12R1.286 CNc1cc(ccc1Br)COC 34a_200013033220_200000210301 [1,0,0,0,0,0|2,0,1]=4 509 B12R1.286 COCc1cc(c(cn1)Br)OC 34a_100010999569_200000210301 [1,0,0,0,0,0|2,0,1]=4 510 B12R1.286 COCc1ccc(c(c1)N[13CH3])Br 34a_200013033220_200025704644 [1,0,0,0,0,0|2,0,1]=4 511 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100010234685_200000210301 [1,0,0,0,0,0|1,0,1]=3 512 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100138415774_100010110085 [1,0,0,0,0,0|1,0,1]=3 513 B12R1.286 COCc1ccc(c(c1)OC)Br 7a_100010234685_200000210301 [1,0,0,0,0,0|1,0,1]=3 514 B12R1.286 COCc1ccc(c(c1)OC)C 34a_100000752651_200000210301 [1,0,0,0,0,0|1,0,1]=3 515 B12R1.286 COCc1ccc(c(c1)OC)C 7a_100000752651_200000210301 [1,0,0,0,0,0|1,0,1]=3 516 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100012179228_200000210301 [1,0,0,0,0,0|1,0,1]=3 517 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100138415774_200010214485 [1,0,0,0,0,0|1,0,1]=3 518 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100000692429_200000210301 [1,0,0,0,0,0|1,0,1]=3 519 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100138415774_100012349856 [1,0,0,0,0,0|1,0,1]=3 520 B12R1.286 COCc1ccc(c(c1)OC)F 7a_100000692429_200000210301 [1,0,0,0,0,0|1,0,1]=3 521 B12R1.286 COCc1ccc(c(c1)OC)N 34a_100000087641_200000210301 [1,0,0,0,0,0|1,0,1]=3 522 B12R1.286 COCc1ccc(c(c1)SC)C 62a_200000210301_200015395492 [1,0,0,0,0,0|1,1,1]=4 523 B12R1.286 COCc1ccc(c(c1)SC)C 62a_200015395492_200000210301 [1,0,0,0,0,0|1,1,1]=4 524 B12R1.286 COCc1ccc(c(c1)SC)F 62a_200000210301_200011493689 [1,0,0,0,0,0|1,1,1]=4 525 B12R1.286 COCc1ccc(c(c1)SC)F 62a_200011493689_200000210301 [1,0,0,0,0,0|1,1,1]=4 526 B12R1.286 COCc1ccc(c(c1)S[13CH3])C 62a_200015395492_200025704644 [1,0,0,0,0,0|1,1,1]=4 527 B12R1.286 COCc1ccc(c(c1)S[13CH3])C 62a_200025704644_200015395492 [1,0,0,0,0,0|1,1,1]=4 528 B12R1.286 COCc1ccc(c(c1)S[13CH3])F 62a_200011493689_200025704644 [1,0,0,0,0,0|1,1,1]=4 529 B12R1.286 COCc1ccc(c(c1)S[13CH3])F 62a_200025704644_200011493689 [1,0,0,0,0,0|1,1,1]=4 530 B12R1.286 COCc1ccc(c(n1)OC)Br 34a_100138415774_200010066506 [1,0,0,0,0,0|2,0,1]=4 531 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 34a_100010234685_200025704644 [1,0,0,0,0,0|1,0,1]=3 532 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 7a_100010234685_200025704644 [1,0,0,0,0,0|1,0,1]=3 533 B12R1.286 COc1cc(ccc1Br)CSC 62a_100010110085_200000210301 [1,0,0,0,0,0|1,1,1]=4 534 B12R1.286 COc1cc(ccc1Br)CSC 62a_200000210301_100010110085 [1,0,0,0,0,0|1,1,1]=4 535 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_100010110085_200025704644 [1,0,0,0,0,0|1,1,1]=4 536 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_200025704644_100010110085 [1,0,0,0,0,0|1,1,1]=4 537 B12R1.286 COc1cc(ccc1C)CO[13CH3] 34a_100000752651_200025704644 [1,0,0,0,0,0|1,0,1]=3 538 B12R1.286 COc1cc(ccc1C)CO[13CH3] 7a_100000752651_200025704644 [1,0,0,0,0,0|1,0,1]=3 539 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 2230a_100015204853_200025704644 [1,0,0,0,0,0|2,0,1]=4 540 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 34a_100015204853_200025704644 [1,0,0,0,0,0|2,0,1]=4 541 B12R1.286 COc1cc(ccc1Cl)CO[13CH3] 34a_100012179228_200025704644 [1,0,0,0,0,0|1,0,1]=3 542 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200000210301_200010214485 [1,0,0,0,0,0|1,1,1]=4 543 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200010214485_200000210301 [1,0,0,0,0,0|1,1,1]=4 544 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200010214485_200025704644 [1,0,0,0,0,0|1,1,1]=4 545 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200025704644_200010214485 [1,0,0,0,0,0|1,1,1]=4 546 B12R1.286 COc1cc(ccc1F)CN[13CH3] 2230a_100020626639_200025704644 [1,0,0,0,0,0|2,0,1]=4 547 B12R1.286 COc1cc(ccc1F)CN[13CH3] 34a_100020626639_200025704644 [1,0,0,0,0,0|2,0,1]=4 548 B12R1.286 COc1cc(ccc1F)CO[13CH3] 34a_100000692429_200025704644 [1,0,0,0,0,0|1,0,1]=3 549 B12R1.286 COc1cc(ccc1F)CO[13CH3] 7a_100000692429_200025704644 [1,0,0,0,0,0|1,0,1]=3 550 B12R1.286 COc1cc(ccc1F)CSC 62a_100012349856_200000210301 [1,0,0,0,0,0|1,1,1]=4 551 B12R1.286 COc1cc(ccc1F)CSC 62a_200000210301_100012349856 [1,0,0,0,0,0|1,1,1]=4 552 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_100012349856_200025704644 [1,0,0,0,0,0|1,1,1]=4 553 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_200025704644_100012349856 [1,0,0,0,0,0|1,1,1]=4 554 B12R1.286 COc1cc(ccc1N)CO[13CH3] 34a_100000087641_200025704644 [1,0,0,0,0,0|1,0,1]=3 555 B12R1.286 COc1cc(ccc1O)CC#N 271570a_203496583355_100010176002 [1,0,0,0,0,0|2,0,1]=4 556 B12R1.286 COc1cc(ccc1O)CN[13CH3] 34a_100000185554_200025704644 [1,0,0,0,0,0|1,0,1]=3 557 B12R1.286 COc1cc(ccc1O)NCF 34a_100000726020_100015361967 [1,0,0,0,0,0|3,0,0]=4 558 B12R1.286 COc1cc(ccc1O)SCF 62a_100015361967_100000694246 [1,0,0,0,0,0|3,0,0]=4 559 B12R1.286 COc1cc(ncc1Br)CO[13CH3] 34a_100010999569_200025704644 [1,0,0,0,0,0|2,0,1]=4 560 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210202 [1,0,0,0,0,0|3,0,0]=4 561 B12R1.367 CCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210202 [1,0,0,0,0,0|3,0,0]=4 562 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210202 [1,0,0,0,0,0|3,0,0]=4 563 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210202 [1,0,0,0,0,0|3,0,0]=4 564 B12R1.367 CCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210202 [1,0,0,0,0,0|3,0,0]=4 565 B12R1.367 CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210202 [1,0,0,0,0,0|2,0,0]=3 566 B12R1.367 CCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210202 [1,0,0,0,0,0|2,0,0]=3 567 B12R1.367 CCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210202 [1,0,0,0,0,0|2,0,0]=3 568 B12R1.367 CCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210202 [1,0,0,0,0,0|2,0,0]=3 569 B12R1.367 CCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210202 [1,0,0,0,0,0|2,0,0]=3 570 B12R1.367 CCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210202 [1,0,0,0,0,0|2,0,0]=3 571 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [1,0,0,0,0,0|1,0,0]=2 572 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [1,0,0,0,0,0|1,0,0]=2 573 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210202 [1,0,0,0,0,0|3,0,0]=4 574 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210202 [1,0,0,0,0,0|3,0,0]=4 575 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210202 [1,0,0,0,0,0|3,0,0]=4 576 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210202 [1,0,0,0,0,0|3,0,0]=4 577 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210202 [1,0,0,0,0,0|3,0,0]=4 578 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210202 [1,0,0,0,0,0|2,0,0]=3 579 B12R1.367 CCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210202 [1,0,0,0,0,0|3,0,0]=4 580 B12R1.367 CCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210202 [1,0,0,0,0,0|3,0,0]=4 581 B12R1.367 CCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210202 [1,0,0,0,0,0|3,0,0]=4 582 B12R1.367 CCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210202 [1,0,0,0,0,0|3,0,0]=4 583 B12R1.367 CCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210202 [1,0,0,0,0,0|3,0,0]=4 584 B12R1.367 CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210202 [1,0,0,0,0,0|2,0,0]=3 585 B12R1.367 CCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210202 [1,0,0,0,0,0|3,0,0]=4 586 B12R1.367 CCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210202 [1,0,0,0,0,0|3,0,0]=4 587 B12R1.367 CCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210202 [1,0,0,0,0,0|3,0,0]=4 588 B12R1.367 CCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210202 [1,0,0,0,0,0|3,0,0]=4 589 B12R1.367 CCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210202 [1,0,0,0,0,0|3,0,0]=4 590 B12R1.367 CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210202 [1,0,0,0,0,0|2,0,0]=3 591 B12R1.367 CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210202 [1,0,0,0,0,0|2,0,0]=3 592 B12R1.367 CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210202 [1,0,0,0,0,0|2,0,0]=3 593 B12R1.367 CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210202 [1,0,0,0,0,0|2,0,0]=3 594 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210202 [1,0,0,0,0,0|2,0,0]=3 595 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011216493 [1,0,0,0,0,0|2,0,0]=3 596 B12R1.367 CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210202 [1,0,0,0,0,0|2,0,0]=3 597 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [1,0,0,0,0,0|1,0,0]=2 598 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 11a_106832991635_100012339404 [1,0,0,0,0,0|3,0,0]=4 599 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 1626a_100102657272_100012339404 [1,0,0,0,0,0|3,0,0]=4 600 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 240690a_100102657272_100012339404 [1,0,0,0,0,0|3,0,0]=4 601 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 527a_100102657272_100012339404 [1,0,0,0,0,0|3,0,0]=4 602 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 11a_106832991635_100000186397 [1,0,0,0,0,0|3,0,0]=4 603 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 1626a_100102657272_100000186397 [1,0,0,0,0,0|3,0,0]=4 604 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 240690a_100102657272_100000186397 [1,0,0,0,0,0|3,0,0]=4 605 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 527a_100102657272_100000186397 [1,0,0,0,0,0|3,0,0]=4 606 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 11a_106832991635_100000691181 [1,0,0,0,0,0|3,0,0]=4 607 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 1626a_100102657272_100000691181 [1,0,0,0,0,0|3,0,0]=4 608 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 240690a_100102657272_100000691181 [1,0,0,0,0,0|3,0,0]=4 609 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 527a_100102657272_100000691181 [1,0,0,0,0,0|3,0,0]=4 610 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 11a_106832991635_100000760357 [1,0,0,0,0,0|3,0,0]=4 611 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 1626a_100102657272_100000760357 [1,0,0,0,0,0|3,0,0]=4 612 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 240690a_100102657272_100000760357 [1,0,0,0,0,0|3,0,0]=4 613 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 527a_100102657272_100000760357 [1,0,0,0,0,0|3,0,0]=4 614 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 11a_106832991635_100000739115 [1,0,0,0,0,0|3,0,0]=4 615 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 1626a_100102657272_100000739115 [1,0,0,0,0,0|3,0,0]=4 616 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 240690a_100102657272_100000739115 [1,0,0,0,0,0|3,0,0]=4 617 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 527a_100102657272_100000739115 [1,0,0,0,0,0|3,0,0]=4 618 B12R1.367 CNC(=O)c1ccc(c(c1)Br)O 240690a_100102657272_100000189672 [1,0,0,0,0,0|2,0,0]=3 619 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 11a_106832991635_100000692631 [1,0,0,0,0,0|2,0,0]=3 620 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 1626a_100102657272_100000692631 [1,0,0,0,0,0|2,0,0]=3 621 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 240690a_100102657272_100000692631 [1,0,0,0,0,0|2,0,0]=3 622 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 527a_100102657272_100000692631 [1,0,0,0,0,0|2,0,0]=3 623 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 11a_106832991635_100000210898 [1,0,0,0,0,0|2,0,0]=3 624 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 1626a_100102657272_100000210898 [1,0,0,0,0,0|2,0,0]=3 625 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 240690a_100102657272_100000210898 [1,0,0,0,0,0|2,0,0]=3 626 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 527a_100102657272_100000210898 [1,0,0,0,0,0|2,0,0]=3 627 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 11a_106832991635_100000686306 [1,0,0,0,0,0|2,0,0]=3 628 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 1626a_100102657272_100000686306 [1,0,0,0,0,0|2,0,0]=3 629 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 240690a_100102657272_100000686306 [1,0,0,0,0,0|2,0,0]=3 630 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 527a_100102657272_100000686306 [1,0,0,0,0,0|2,0,0]=3 631 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 11a_106832991635_100000751819 [1,0,0,0,0,0|2,0,0]=3 632 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 1626a_100102657272_100000751819 [1,0,0,0,0,0|2,0,0]=3 633 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 240690a_100102657272_100000751819 [1,0,0,0,0,0|2,0,0]=3 634 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 527a_100102657272_100000751819 [1,0,0,0,0,0|2,0,0]=3 635 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 11a_106832991635_100000751300 [1,0,0,0,0,0|2,0,0]=3 636 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 1626a_100102657272_100000751300 [1,0,0,0,0,0|2,0,0]=3 637 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 240690a_100102657272_100000751300 [1,0,0,0,0,0|2,0,0]=3 638 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 527a_100102657272_100000751300 [1,0,0,0,0,0|2,0,0]=3 639 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [1,0,0,0,0,0|1,0,0]=2 640 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [1,0,0,0,0,0|1,0,0]=2 641 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 11a_106832991635_100000687082 [1,0,0,0,0,0|3,0,0]=4 642 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 1626a_100102657272_100000687082 [1,0,0,0,0,0|3,0,0]=4 643 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 240690a_100102657272_100000687082 [1,0,0,0,0,0|3,0,0]=4 644 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 527a_100102657272_100000687082 [1,0,0,0,0,0|3,0,0]=4 645 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 11a_106832991635_100000751740 [1,0,0,0,0,0|3,0,0]=4 646 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 1626a_100102657272_100000751740 [1,0,0,0,0,0|3,0,0]=4 647 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 240690a_100102657272_100000751740 [1,0,0,0,0,0|3,0,0]=4 648 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 527a_100102657272_100000751740 [1,0,0,0,0,0|3,0,0]=4 649 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 11a_106832991635_100000210401 [1,0,0,0,0,0|3,0,0]=4 650 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 1626a_100102657272_100000210401 [1,0,0,0,0,0|3,0,0]=4 651 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100102657272_100000210401 [1,0,0,0,0,0|3,0,0]=4 652 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 527a_100102657272_100000210401 [1,0,0,0,0,0|3,0,0]=4 653 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 11a_106832991635_100000686462 [1,0,0,0,0,0|3,0,0]=4 654 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 1626a_100102657272_100000686462 [1,0,0,0,0,0|3,0,0]=4 655 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 240690a_100102657272_100000686462 [1,0,0,0,0,0|3,0,0]=4 656 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 527a_100102657272_100000686462 [1,0,0,0,0,0|3,0,0]=4 657 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 11a_106832991635_100000684831 [1,0,0,0,0,0|3,0,0]=4 658 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 1626a_100102657272_100000684831 [1,0,0,0,0,0|3,0,0]=4 659 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 240690a_100102657272_100000684831 [1,0,0,0,0,0|3,0,0]=4 660 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 527a_100102657272_100000684831 [1,0,0,0,0,0|3,0,0]=4 661 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 240690a_100102657272_100000212196 [1,0,0,0,0,0|2,0,0]=3 662 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 527a_100102657272_100000212196 [1,0,0,0,0,0|2,0,0]=3 663 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 11a_106832991635_100000743946 [1,0,0,0,0,0|3,0,0]=4 664 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 1626a_100102657272_100000743946 [1,0,0,0,0,0|3,0,0]=4 665 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 240690a_100102657272_100000743946 [1,0,0,0,0,0|3,0,0]=4 666 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 527a_100102657272_100000743946 [1,0,0,0,0,0|3,0,0]=4 667 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 11a_106832991635_100000212313 [1,0,0,0,0,0|3,0,0]=4 668 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 1626a_100102657272_100000212313 [1,0,0,0,0,0|3,0,0]=4 669 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 240690a_100102657272_100000212313 [1,0,0,0,0,0|3,0,0]=4 670 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 527a_100102657272_100000212313 [1,0,0,0,0,0|3,0,0]=4 671 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 11a_106832991635_100000743183 [1,0,0,0,0,0|3,0,0]=4 672 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 1626a_100102657272_100000743183 [1,0,0,0,0,0|3,0,0]=4 673 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 240690a_100102657272_100000743183 [1,0,0,0,0,0|3,0,0]=4 674 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 527a_100102657272_100000743183 [1,0,0,0,0,0|3,0,0]=4 675 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 11a_106832991635_100000209822 [1,0,0,0,0,0|3,0,0]=4 676 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 1626a_100102657272_100000209822 [1,0,0,0,0,0|3,0,0]=4 677 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 240690a_100102657272_100000209822 [1,0,0,0,0,0|3,0,0]=4 678 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 527a_100102657272_100000209822 [1,0,0,0,0,0|3,0,0]=4 679 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 11a_106832991635_100000062624 [1,0,0,0,0,0|3,0,0]=4 680 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 1626a_100102657272_100000062624 [1,0,0,0,0,0|3,0,0]=4 681 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 240690a_100102657272_100000062624 [1,0,0,0,0,0|3,0,0]=4 682 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 527a_100102657272_100000062624 [1,0,0,0,0,0|3,0,0]=4 683 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 240690a_100102657272_100000185466 [1,0,0,0,0,0|2,0,0]=3 684 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 527a_100102657272_100000185466 [1,0,0,0,0,0|2,0,0]=3 685 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 11a_106832991635_100012343876 [1,0,0,0,0,0|3,0,0]=4 686 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 1626a_100102657272_100012343876 [1,0,0,0,0,0|3,0,0]=4 687 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 240690a_100102657272_100012343876 [1,0,0,0,0,0|3,0,0]=4 688 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 527a_100102657272_100012343876 [1,0,0,0,0,0|3,0,0]=4 689 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 11a_106832991635_100000751299 [1,0,0,0,0,0|3,0,0]=4 690 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 1626a_100102657272_100000751299 [1,0,0,0,0,0|3,0,0]=4 691 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 240690a_100102657272_100000751299 [1,0,0,0,0,0|3,0,0]=4 692 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 527a_100102657272_100000751299 [1,0,0,0,0,0|3,0,0]=4 693 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 11a_106832991635_100000739381 [1,0,0,0,0,0|3,0,0]=4 694 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 1626a_100102657272_100000739381 [1,0,0,0,0,0|3,0,0]=4 695 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 240690a_100102657272_100000739381 [1,0,0,0,0,0|3,0,0]=4 696 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 527a_100102657272_100000739381 [1,0,0,0,0,0|3,0,0]=4 697 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 11a_106832991635_100000688015 [1,0,0,0,0,0|3,0,0]=4 698 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 1626a_100102657272_100000688015 [1,0,0,0,0,0|3,0,0]=4 699 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 240690a_100102657272_100000688015 [1,0,0,0,0,0|3,0,0]=4 700 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 527a_100102657272_100000688015 [1,0,0,0,0,0|3,0,0]=4 701 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 11a_106832991635_100000725830 [1,0,0,0,0,0|3,0,0]=4 702 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 1626a_100102657272_100000725830 [1,0,0,0,0,0|3,0,0]=4 703 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 240690a_100102657272_100000725830 [1,0,0,0,0,0|3,0,0]=4 704 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 527a_100102657272_100000725830 [1,0,0,0,0,0|3,0,0]=4 705 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 1626a_100102657272_100000037485 [1,0,0,0,0,0|2,0,0]=3 706 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 240690a_100102657272_100000037485 [1,0,0,0,0,0|2,0,0]=3 707 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 240690a_100102657272_100000689001 [1,0,0,0,0,0|2,0,0]=3 708 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 527a_100102657272_100000689001 [1,0,0,0,0,0|2,0,0]=3 709 B12R1.367 CNC(=O)c1ccc(c(c1)O)C 240690a_100102657272_100000233767 [1,0,0,0,0,0|2,0,0]=3 710 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 240690a_100102657272_100011933997 [1,0,0,0,0,0|2,0,0]=3 711 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 527a_100102657272_100011933997 [1,0,0,0,0,0|2,0,0]=3 712 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 240690a_100102657272_100000035894 [1,0,0,0,0,0|2,0,0]=3 713 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359898 [1,0,0,0,0,0|2,0,0]=3 714 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 527a_100102657272_100000035894 [1,0,0,0,0,0|2,0,0]=3 715 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 1626a_100102657272_100000239334 [1,0,0,0,0,0|2,0,0]=3 716 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 240690a_100102657272_100000239334 [1,0,0,0,0,0|2,0,0]=3 717 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 527a_100102657272_100000239334 [1,0,0,0,0,0|2,0,0]=3 718 B12R1.367 CNC(C)c1ccc(c(c1)C)O 269862a_106832991636_100000188726 [1,0,0,0,0,0|2,0,1]=4 719 B12R1.367 COC(=O)c1cc(c(cn1)C)O 271570a_203496583355_100000065005 [1,0,0,0,0,0|2,0,0]=3 720 B12R1.367 COC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100010080863 [1,0,0,0,0,0|1,0,0]=2 721 B12R1.367 COC(=O)c1cc(c(cn1)O)N 271570a_203496583355_100016001589 [1,0,0,0,0,0|2,0,0]=3 722 B12R1.367 COC(=O)c1cc(c(nn1)O)C 271570a_203496583355_100102422153 [1,0,0,0,0,0|2,0,0]=3 723 B12R1.367 COC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294788 [1,0,0,0,0,0|1,0,0]=2 724 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [1,0,0,0,0,0|0,0,0]=1 725 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_100012356344 [1,0,0,0,0,0|1,0,0]=2 726 B12R1.367 COC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000703229 [1,0,0,0,0,0|1,0,0]=2 727 B12R1.367 COC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100011450966 [1,0,0,0,0,0|1,0,0]=2 728 B12R1.367 COC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100012349818 [1,0,0,0,0,0|1,0,0]=2 729 B12R1.367 COC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011218856 [1,0,0,0,0,0|1,0,0]=2 730 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100011294800 [1,0,0,0,0,0|1,0,0]=2 731 B12R1.367 COC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000722584 [1,0,0,0,0,0|1,0,0]=2 732 B12R1.367 COC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000187552 [1,0,0,0,0,0|1,0,0]=2 733 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100000216328 [1,0,0,0,0,0|0,0,0]=1 734 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012350776 [1,0,0,0,0,0|0,0,0]=1 735 B12R1.367 COC(=O)c1ccc(c(n1)C)O 271570a_203496583355_100010207261 [1,0,0,0,0,0|1,0,0]=2 736 B12R1.367 COC(=O)c1ccc(c(n1)F)O 271570a_203496583355_100010189630 [1,0,0,0,0,0|2,0,0]=3 737 B12R1.367 COC(=O)c1ccc(c(n1)N)O 271570a_203496583355_100010187631 [1,0,0,0,0,0|2,0,0]=3 738 B12R1.367 COC(=O)c1ccc(c(n1)O)C 271570a_203496583355_100010143800 [1,0,0,0,0,0|2,0,0]=3 739 B12R1.367 COC(=O)c1ccc(c(n1)O)F 271570a_203496583355_100010189626 [1,0,0,0,0,0|2,0,0]=3 740 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_100010189637 [1,0,0,0,0,0|1,0,0]=2 741 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_200009815348 [1,0,0,0,0,0|1,0,0]=2 742 B12R1.367 COC(=O)c1cnc(c(c1)Br)O 271570a_203496583355_100010114297 [1,0,0,0,0,0|2,0,0]=3 743 B12R1.367 COC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009862495 [1,0,0,0,0,0|1,0,0]=2 744 B12R1.367 COC(=O)c1cnc(c(c1)F)O 271570a_203496583355_100010189625 [1,0,0,0,0,0|2,0,0]=3 745 B12R1.367 COC(=O)c1cnc(c(c1)N)O 271570a_203496583355_100000079130 [1,0,0,0,0,0|2,0,0]=3 746 B12R1.367 COC(=O)c1cnc(c(c1)O)Cl 271570a_203496583355_100010188758 [1,0,0,0,0,0|2,0,0]=3 747 B12R1.367 COC(=O)c1cnc(c(c1)O)F 271570a_203496583355_100000117919 [1,0,0,0,0,0|2,0,0]=3 748 B12R1.367 COC(=O)c1cnc(c(c1)O)N 271570a_203496583355_100009816800 [1,0,0,0,0,0|2,0,0]=3 749 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010109663 [1,0,0,0,0,0|1,0,0]=2 750 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010999399 [1,0,0,0,0,0|1,0,0]=2 751 B12R1.367 COC(=O)c1cnc(c(n1)C)O 271570a_203496583355_100000109192 [1,0,0,0,0,0|2,0,0]=3 752 B12R1.367 COC(=O)c1cnc(c(n1)O)C 271570a_203496583355_200010778766 [1,0,0,0,0,0|3,0,0]=4 753 B12R1.367 COC(=O)c1cnc(c(n1)O)F 271570a_203496583355_100010896985 [1,0,0,0,0,0|3,0,0]=4 754 B12R1.367 COC(=O)c1coc(=O)c(c1)O 271570a_203496583355_100009812866 [1,0,0,0,0,0|1,0,1]=3 755 B12R1.367 Cc1cc(ccc1Br)C(=O)CF 1458a_100000692631_100015361967 [1,0,0,0,0,0|3,0,0]=4 756 B12R1.367 Cc1cc(ccc1Cl)C(=O)CF 1458a_100000686306_100015361967 [1,0,0,0,0,0|3,0,0]=4 757 B12R1.367 Cc1cc(ccc1F)C(=O)CF 1458a_100000751819_100015361967 [1,0,0,0,0,0|3,0,0]=4 758 B12R1.367 Cc1cc(ccc1I)C(=O)CF 1458a_100000751300_100015361967 [1,0,0,0,0,0|3,0,0]=4 759 B12R1.367 Cc1cc(ccc1O)C(=O)CF 1458a_100000685612_100015361967 [1,0,0,0,0,0|2,0,0]=3 760 B12R1.367 Cc1cc(ccc1O)C(=O)NN 271570a_203496583355_100012339724 [1,0,0,0,0,0|2,0,0]=3 761 B12R1.367 Cc1ccc(cc1C)C(=O)CF 1458a_100000210898_100015361967 [1,0,0,0,0,0|3,0,0]=4 762 B12R1.367 Cc1ccc(cc1O)C(=O)CF 1458a_100000233767_100015361967 [1,0,0,0,0,0|3,0,0]=4 763 B12R1.367 Cc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000188075 [1,0,0,0,0,0|3,0,0]=4 764 B12R1.367 NCC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100016989600 [1,0,0,0,0,0|3,0,0]=4 765 B12R1.367 NNC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100000046573 [1,0,0,0,0,0|3,0,0]=4 766 B12R1.367 O=C(CF)c1ccc(c(c1)Br)O 1458a_100000189672_100015361967 [1,0,0,0,0,0|3,0,0]=4 767 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)O 1458a_100000212196_100015361967 [1,0,0,0,0,0|3,0,0]=4 768 B12R1.367 O=C(CF)c1ccc(c(c1)F)O 1458a_100000185466_100015361967 [1,0,0,0,0,0|3,0,0]=4 769 B12R1.367 O=C(CF)c1ccc(c(c1)I)O 1458a_100000037485_100015361967 [1,0,0,0,0,0|3,0,0]=4 770 B12R1.367 O=C(CF)c1ccc(c(c1)O)Br 1458a_100000689001_100015361967 [1,0,0,0,0,0|3,0,0]=4 771 B12R1.367 O=C(CF)c1ccc(c(c1)O)Cl 1458a_100011933997_100015361967 [1,0,0,0,0,0|3,0,0]=4 772 B12R1.367 O=C(CF)c1ccc(c(c1)O)F 1458a_100000035894_100015361967 [1,0,0,0,0,0|3,0,0]=4 773 B12R1.367 O=C(CF)c1ccc(c(c1)O)I 1458a_100000239334_100015361967 [1,0,0,0,0,0|3,0,0]=4 774 B12R1.367 O=C(CF)c1ccc(c(c1)O)O 1458a_100000212155_100015361967 [1,0,0,0,0,0|2,0,0]=3 775 B12R1.435 C#Cc1cccc(c1)C(=O)CC 1458a_100011997762_100000210202 [1,0,0,0,0,0|2,0,1]=4 776 B12R1.435 C#Cc1cccc(c1)C(=O)NC 11a_106832991635_100011997762 [1,0,0,0,0,0|2,0,1]=4 777 B12R1.435 C#Cc1cccc(c1)C(=O)NC 1626a_100102657272_100011997762 [1,0,0,0,0,0|2,0,1]=4 778 B12R1.435 C#Cc1cccc(c1)C(=O)NC 240690a_100102657272_100011997762 [1,0,0,0,0,0|2,0,1]=4 779 B12R1.435 C#Cc1cccc(c1)C(=O)NC 527a_100102657272_100011997762 [1,0,0,0,0,0|2,0,1]=4 780 B12R1.435 C=Cc1cc(ccn1)C(=O)OC 271570a_100011290941_100011934382 [1,0,0,0,0,0|2,0,1]=4 781 B12R1.435 C=Cc1cccc(c1)C(=O)CC 1458a_100011215009_100000210202 [1,0,0,0,0,0|2,0,1]=4 782 B12R1.435 C=Cc1cccc(c1)C(=O)CC 271570a_100011290941_100000211677 [1,0,0,0,0,0|2,0,1]=4 783 B12R1.435 C=Cc1cccc(c1)C(=O)NC 11a_106832991635_100011215009 [1,0,0,0,0,0|2,0,1]=4 784 B12R1.435 C=Cc1cccc(c1)C(=O)NC 1626a_100102657272_100011215009 [1,0,0,0,0,0|2,0,1]=4 785 B12R1.435 C=Cc1cccc(c1)C(=O)NC 240690a_100102657272_100011215009 [1,0,0,0,0,0|2,0,1]=4 786 B12R1.435 C=Cc1cccc(c1)C(=O)NC 271570a_100011290941_100000155082 [1,0,0,0,0,0|2,0,1]=4 787 B12R1.435 C=Cc1cccc(c1)C(=O)NC 527a_100102657272_100011215009 [1,0,0,0,0,0|2,0,1]=4 788 B12R1.435 C=Cc1cccc(c1)C(=O)OC 271570a_100011290941_100000148679 [1,0,0,0,0,0|1,0,1]=3 789 B12R1.435 C=Cc1cccc(n1)C(=O)OC 271570a_100011290941_100000708286 [1,0,0,0,0,0|2,0,1]=4 790 B12R1.435 C=Cc1ccnc(c1)C(=O)OC 271570a_100011290941_100000693414 [1,0,0,0,0,0|2,0,1]=4 791 B12R1.435 C=Cc1cncc(c1)C(=O)OC 271570a_100011290941_100000148912 [1,0,0,0,0,0|2,0,1]=4 792 B12R1.435 CC(=NN)c1cccc(c1)O[13CH3] 34a_100000689795_200025704644 [1,0,0,0,0,0|3,0,0]=4 793 B12R1.435 CCC(=O)c1cc(ccn1)SC 62a_200000094848_200000210301 [1,0,0,0,0,0|2,1,0]=4 794 B12R1.435 CCC(=O)c1cc(ccn1)SC 62a_200000210301_200000094848 [1,0,0,0,0,0|2,1,0]=4 795 B12R1.435 CCC(=O)c1cc(ccn1)S[13CH3] 62a_200000094848_200025704644 [1,0,0,0,0,0|2,1,0]=4 796 B12R1.435 CCC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_200000094848 [1,0,0,0,0,0|2,1,0]=4 797 B12R1.435 CCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000210202 [1,0,0,0,0,0|3,0,0]=4 798 B12R1.435 CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210202 [1,0,0,0,0,0|2,0,0]=3 799 B12R1.435 CCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210202 [1,0,0,0,0,0|3,0,0]=4 800 B12R1.435 CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210202 [1,0,0,0,0,0|1,0,0]=2 801 B12R1.435 CCC(=O)c1cccc(c1)OC 34a_100011996911_200000210301 [1,0,0,0,0,0|1,0,0]=2 802 B12R1.435 CCC(=O)c1cccc(c1)OC 7a_100011996911_200000210301 [1,0,0,0,0,0|1,0,0]=2 803 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 34a_100011996911_200025704644 [1,0,0,0,0,0|1,0,0]=2 804 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 7a_100011996911_200025704644 [1,0,0,0,0,0|1,0,0]=2 805 B12R1.435 CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210202 [1,0,0,0,0,0|1,1,0]=3 806 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_100000211677_200000210301 [1,0,0,0,0,0|1,1,0]=3 807 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_200000210301_100000211677 [1,0,0,0,0,0|1,1,0]=3 808 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_100000211677_200025704644 [1,0,0,0,0,0|1,1,0]=3 809 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000211677 [1,0,0,0,0,0|1,1,0]=3 810 B12R1.435 CCC(=O)c1cccc(n1)SC 62a_100011004013_200000210301 [1,0,0,0,0,0|2,1,0]=4 811 B12R1.435 CCC(=O)c1cccc(n1)SC 62a_200000210301_100011004013 [1,0,0,0,0,0|2,1,0]=4 812 B12R1.435 CCC(=O)c1cccc(n1)S[13CH3] 62a_100011004013_200025704644 [1,0,0,0,0,0|2,1,0]=4 813 B12R1.435 CCC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100011004013 [1,0,0,0,0,0|2,1,0]=4 814 B12R1.435 CCC(N)c1cccc(c1)OC 34a_100159312145_200000210301 [1,0,0,0,0,0|2,0,1]=4 815 B12R1.435 CCC(N)c1cccc(c1)O[13CH3] 34a_100159312145_200025704644 [1,0,0,0,0,0|2,0,1]=4 816 B12R1.435 CCN(C)c1cccc(c1)OC 2230a_100000219725_100000210202 [1,0,0,0,0,0|3,0,0]=4 817 B12R1.435 CCN(C)c1cccc(c1)OC 2230a_100000219733_200000210301 [1,0,0,0,0,0|3,0,0]=4 818 B12R1.435 CCN(C)c1cccc(c1)OC 269982a_100000219725_100000204670 [1,0,0,0,0,0|3,0,0]=4 819 B12R1.435 CCN(C)c1cccc(c1)OC 269982a_100000219733_200000210301 [1,0,0,0,0,0|3,0,0]=4 820 B12R1.435 CCN(C)c1cccc(c1)OC 34a_100000219725_100000210202 [1,0,0,0,0,0|3,0,0]=4 821 B12R1.435 CCN(C)c1cccc(c1)OC 34a_100000219733_200000210301 [1,0,0,0,0,0|3,0,0]=4 822 B12R1.435 CCN([13CH3])c1cccc(c1)OC 2230a_100000219733_200025704644 [1,0,0,0,0,0|3,0,0]=4 823 B12R1.435 CCN([13CH3])c1cccc(c1)OC 269982a_100000219733_200025704644 [1,0,0,0,0,0|3,0,0]=4 824 B12R1.435 CCN([13CH3])c1cccc(c1)OC 34a_100000219733_200025704644 [1,0,0,0,0,0|3,0,0]=4 825 B12R1.435 CCc1cccc(c1)C(=O)CF 1458a_100011933908_100015361967 [1,0,0,0,0,0|3,0,0]=4 826 B12R1.435 CCc1cccc(c1)C(=O)NC 11a_106832991635_100011933908 [1,0,0,0,0,0|2,0,0]=3 827 B12R1.435 CCc1cccc(c1)C(=O)NC 1626a_100102657272_100011933908 [1,0,0,0,0,0|2,0,0]=3 828 B12R1.435 CCc1cccc(c1)C(=O)NC 240690a_100102657272_100011933908 [1,0,0,0,0,0|2,0,0]=3 829 B12R1.435 CCc1cccc(c1)C(=O)NC 527a_100102657272_100011933908 [1,0,0,0,0,0|2,0,0]=3 830 B12R1.435 CNC(=O)c1cc(ccn1)NC 27a_100102657272_100000204654 [1,0,0,0,0,0|3,0,0]=4 831 B12R1.435 CNC(=O)c1cc(ccn1)SC 62a_100000204654_200000210301 [1,0,0,0,0,0|2,1,0]=4 832 B12R1.435 CNC(=O)c1cc(ccn1)SC 62a_200000210301_100000204654 [1,0,0,0,0,0|2,1,0]=4 833 B12R1.435 CNC(=O)c1cc(ccn1)S[13CH3] 62a_100000204654_200025704644 [1,0,0,0,0,0|2,1,0]=4 834 B12R1.435 CNC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000204654 [1,0,0,0,0,0|2,1,0]=4 835 B12R1.435 CNC(=O)c1cccc(c1)C#N 11a_106832991635_100000183950 [1,0,0,0,0,0|3,0,0]=4 836 B12R1.435 CNC(=O)c1cccc(c1)C#N 1626a_100102657272_100000183950 [1,0,0,0,0,0|3,0,0]=4 837 B12R1.435 CNC(=O)c1cccc(c1)C#N 240690a_100102657272_100000183950 [1,0,0,0,0,0|3,0,0]=4 838 B12R1.435 CNC(=O)c1cccc(c1)C#N 527a_100102657272_100000183950 [1,0,0,0,0,0|3,0,0]=4 839 B12R1.435 CNC(=O)c1cccc(c1)CO 240690a_100102657272_100000746274 [1,0,0,0,0,0|3,0,0]=4 840 B12R1.435 CNC(=O)c1cccc(c1)NC 34a_100000185133_200000210301 [1,0,0,0,0,0|2,0,0]=3 841 B12R1.435 CNC(=O)c1cccc(c1)N[13CH3] 34a_100000185133_200025704644 [1,0,0,0,0,0|2,0,0]=3 842 B12R1.435 CNC(=O)c1cccc(c1)OC 11a_106832991635_100000188888 [1,0,0,0,0,0|1,0,0]=2 843 B12R1.435 CNC(=O)c1cccc(c1)OC 1626a_100102657272_100000188888 [1,0,0,0,0,0|1,0,0]=2 844 B12R1.435 CNC(=O)c1cccc(c1)OC 240690a_100102657272_100000188888 [1,0,0,0,0,0|1,0,0]=2 845 B12R1.435 CNC(=O)c1cccc(c1)OC 34a_100000159807_200000210301 [1,0,0,0,0,0|1,0,0]=2 846 B12R1.435 CNC(=O)c1cccc(c1)OC 527a_100102657272_100000188888 [1,0,0,0,0,0|1,0,0]=2 847 B12R1.435 CNC(=O)c1cccc(c1)OC 7a_100000159807_200000210301 [1,0,0,0,0,0|1,0,0]=2 848 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 34a_100000159807_200025704644 [1,0,0,0,0,0|1,0,0]=2 849 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 7a_100000159807_200025704644 [1,0,0,0,0,0|1,0,0]=2 850 B12R1.435 CNC(=O)c1cccc(c1)SC 11a_106832991635_100011217804 [1,0,0,0,0,0|1,1,0]=3 851 B12R1.435 CNC(=O)c1cccc(c1)SC 1626a_100102657272_100011217804 [1,0,0,0,0,0|1,1,0]=3 852 B12R1.435 CNC(=O)c1cccc(c1)SC 240690a_100102657272_100011217804 [1,0,0,0,0,0|1,1,0]=3 853 B12R1.435 CNC(=O)c1cccc(c1)SC 527a_100102657272_100011217804 [1,0,0,0,0,0|1,1,0]=3 854 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_100000155082_200000210301 [1,0,0,0,0,0|1,1,0]=3 855 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_200000210301_100000155082 [1,0,0,0,0,0|1,1,0]=3 856 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_100000155082_200025704644 [1,0,0,0,0,0|1,1,0]=3 857 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155082 [1,0,0,0,0,0|1,1,0]=3 858 B12R1.435 CNC(=O)c1cccc(n1)NC 27a_100102657272_100000755456 [1,0,0,0,0,0|3,0,0]=4 859 B12R1.435 CNC(=O)c1cccc(n1)SC 62a_100000755456_200000210301 [1,0,0,0,0,0|2,1,0]=4 860 B12R1.435 CNC(=O)c1cccc(n1)SC 62a_200000210301_100000755456 [1,0,0,0,0,0|2,1,0]=4 861 B12R1.435 CNC(=O)c1cccc(n1)S[13CH3] 62a_100000755456_200025704644 [1,0,0,0,0,0|2,1,0]=4 862 B12R1.435 CNC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000755456 [1,0,0,0,0,0|2,1,0]=4 863 B12R1.435 CNC(=O)c1ccnc(c1)SC 62a_100011196506_200000210301 [1,0,0,0,0,0|2,1,0]=4 864 B12R1.435 CNC(=O)c1ccnc(c1)SC 62a_200000210301_100011196506 [1,0,0,0,0,0|2,1,0]=4 865 B12R1.435 CNC(=O)c1ccnc(c1)S[13CH3] 62a_100011196506_200025704644 [1,0,0,0,0,0|2,1,0]=4 866 B12R1.435 CNC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011196506 [1,0,0,0,0,0|2,1,0]=4 867 B12R1.435 CNC(=O)c1cncc(c1)NC 27a_100102657272_200000155086 [1,0,0,0,0,0|3,0,0]=4 868 B12R1.435 CNC(=O)c1cncc(c1)SC 62a_200000155086_200000210301 [1,0,0,0,0,0|2,1,0]=4 869 B12R1.435 CNC(=O)c1cncc(c1)SC 62a_200000210301_200000155086 [1,0,0,0,0,0|2,1,0]=4 870 B12R1.435 CNC(=O)c1cncc(c1)S[13CH3] 62a_200000155086_200025704644 [1,0,0,0,0,0|2,1,0]=4 871 B12R1.435 CNC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_200000155086 [1,0,0,0,0,0|2,1,0]=4 872 B12R1.435 CNC(C)c1cccc(c1)OC 2230a_100000737859_200000210301 [1,0,0,0,0,0|2,0,1]=4 873 B12R1.435 CNC(C)c1cccc(c1)OC 269862a_106832991636_100000171656 [1,0,0,0,0,0|2,0,1]=4 874 B12R1.435 CNc1cc(cnn1)C(=O)OC 27a_100102657272_100009862058 [1,0,0,0,0,0|3,0,0]=4 875 B12R1.435 CNc1cc(ncn1)C(=O)OC 27a_100102657272_100000051410 [1,0,0,0,0,0|3,0,0]=4 876 B12R1.435 CNc1cccc(n1)C(=O)OC 27a_100102657272_100000708286 [1,0,0,0,0,0|2,0,0]=3 877 B12R1.435 CNc1cncc(n1)C(=O)OC 27a_100102657272_100000765340 [1,0,0,0,0,0|3,0,0]=4 878 B12R1.435 CNc1nccc(n1)C(=O)OC 27a_100102657272_100000070389 [1,0,0,0,0,0|3,0,0]=4 879 B12R1.435 COC(=O)c1cc(ccn1)OC 34a_200020638413_200000210301 [1,0,0,0,0,0|1,0,0]=2 880 B12R1.435 COC(=O)c1cc(ccn1)O[13CH3] 34a_200020638413_200025704644 [1,0,0,0,0,0|1,0,0]=2 881 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_100000693414_200000210301 [1,0,0,0,0,0|1,1,0]=3 882 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_200000210301_100000693414 [1,0,0,0,0,0|1,1,0]=3 883 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_100000693414_200025704644 [1,0,0,0,0,0|1,1,0]=3 884 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000693414 [1,0,0,0,0,0|1,1,0]=3 885 B12R1.435 COC(=O)c1cc(ncn1)SC 62a_100000051410_200000210301 [1,0,0,0,0,0|2,1,0]=4 886 B12R1.435 COC(=O)c1cc(ncn1)SC 62a_200000210301_100000051410 [1,0,0,0,0,0|2,1,0]=4 887 B12R1.435 COC(=O)c1cc(ncn1)S[13CH3] 62a_100000051410_200025704644 [1,0,0,0,0,0|2,1,0]=4 888 B12R1.435 COC(=O)c1cc(ncn1)S[13CH3] 62a_200025704644_100000051410 [1,0,0,0,0,0|2,1,0]=4 889 B12R1.435 COC(=O)c1cccc(c1)OC 34a_100000150331_200000210301 [1,0,0,0,0,0|0,0,0]=1 890 B12R1.435 COC(=O)c1cccc(c1)OC 7a_100000150331_200000210301 [1,0,0,0,0,0|0,0,0]=1 891 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 34a_100000150331_200025704644 [1,0,0,0,0,0|0,0,0]=1 892 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 7a_100000150331_200025704644 [1,0,0,0,0,0|0,0,0]=1 893 B12R1.435 COC(=O)c1cccc(c1)SC 62a_100000148848_200000210301 [1,0,0,0,0,0|0,1,0]=2 894 B12R1.435 COC(=O)c1cccc(c1)SC 62a_200000210301_100000148848 [1,0,0,0,0,0|0,1,0]=2 895 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_100000148848_200025704644 [1,0,0,0,0,0|0,1,0]=2 896 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000148848 [1,0,0,0,0,0|0,1,0]=2 897 B12R1.435 COC(=O)c1cccc(n1)SC 62a_100000708286_200000210301 [1,0,0,0,0,0|1,1,0]=3 898 B12R1.435 COC(=O)c1cccc(n1)SC 62a_200000210301_100000708286 [1,0,0,0,0,0|1,1,0]=3 899 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_100000708286_200025704644 [1,0,0,0,0,0|1,1,0]=3 900 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000708286 [1,0,0,0,0,0|1,1,0]=3 901 B12R1.435 COC(=O)c1ccnc(c1)OC 34a_100138552365_200000210301 [1,0,0,0,0,0|1,0,0]=2 902 B12R1.435 COC(=O)c1ccnc(c1)O[13CH3] 34a_100138552365_200025704644 [1,0,0,0,0,0|1,0,0]=2 903 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_100011934382_200000210301 [1,0,0,0,0,0|1,1,0]=3 904 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_200000210301_100011934382 [1,0,0,0,0,0|1,1,0]=3 905 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_100011934382_200025704644 [1,0,0,0,0,0|1,1,0]=3 906 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011934382 [1,0,0,0,0,0|1,1,0]=3 907 B12R1.435 COC(=O)c1ccnc(n1)SC 62a_100000070389_200000210301 [1,0,0,0,0,0|2,1,0]=4 908 B12R1.435 COC(=O)c1ccnc(n1)SC 62a_200000210301_100000070389 [1,0,0,0,0,0|2,1,0]=4 909 B12R1.435 COC(=O)c1ccnc(n1)S[13CH3] 62a_100000070389_200025704644 [1,0,0,0,0,0|2,1,0]=4 910 B12R1.435 COC(=O)c1ccnc(n1)S[13CH3] 62a_200025704644_100000070389 [1,0,0,0,0,0|2,1,0]=4 911 B12R1.435 COC(=O)c1cncc(c1)OC 34a_100000687108_200000210301 [1,0,0,0,0,0|1,0,0]=2 912 B12R1.435 COC(=O)c1cncc(c1)OC 7a_100000687108_200000210301 [1,0,0,0,0,0|1,0,0]=2 913 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 34a_100000687108_200025704644 [1,0,0,0,0,0|1,0,0]=2 914 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 7a_100000687108_200025704644 [1,0,0,0,0,0|1,0,0]=2 915 B12R1.435 COC(=O)c1cncc(c1)SC 62a_100000148912_200000210301 [1,0,0,0,0,0|1,1,0]=3 916 B12R1.435 COC(=O)c1cncc(c1)SC 62a_200000210301_100000148912 [1,0,0,0,0,0|1,1,0]=3 917 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_100000148912_200025704644 [1,0,0,0,0,0|1,1,0]=3 918 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100000148912 [1,0,0,0,0,0|1,1,0]=3 919 B12R1.435 COC(=O)c1cncc(n1)SC 62a_100000765340_200000210301 [1,0,0,0,0,0|2,1,0]=4 920 B12R1.435 COC(=O)c1cncc(n1)SC 62a_200000210301_100000765340 [1,0,0,0,0,0|2,1,0]=4 921 B12R1.435 COC(=O)c1cncc(n1)S[13CH3] 62a_100000765340_200025704644 [1,0,0,0,0,0|2,1,0]=4 922 B12R1.435 COC(=O)c1cncc(n1)S[13CH3] 62a_200025704644_100000765340 [1,0,0,0,0,0|2,1,0]=4 923 B12R1.435 COC(=O)c1cnnc(c1)SC 62a_100009862058_200000210301 [1,0,0,0,0,0|2,1,0]=4 924 B12R1.435 COC(=O)c1cnnc(c1)SC 62a_200000210301_100009862058 [1,0,0,0,0,0|2,1,0]=4 925 B12R1.435 COC(=O)c1cnnc(c1)S[13CH3] 62a_100009862058_200025704644 [1,0,0,0,0,0|2,1,0]=4 926 B12R1.435 COC(=O)c1cnnc(c1)S[13CH3] 62a_200025704644_100009862058 [1,0,0,0,0,0|2,1,0]=4 927 B12R1.435 COc1cccc(c1)C(=NN)C 34a_100000689795_200000210301 [1,0,0,0,0,0|3,0,0]=4 928 B12R1.435 COc1cccc(c1)C(=NO)N 34a_100000738085_200000210301 [1,0,0,0,0,0|3,0,0]=4 929 B12R1.435 COc1cccc(c1)C(=O)CBr 7a_100009813753_200000210301 [1,0,0,0,0,0|2,0,0]=3 930 B12R1.435 COc1cccc(c1)C(=O)CF 1458a_100000188888_100015361967 [1,0,0,0,0,0|2,0,0]=3 931 B12R1.435 COc1cccc(c1)C(=O)NN 34a_100000184184_200000210301 [1,0,0,0,0,0|2,0,0]=3 932 B12R1.435 COc1cccc(c1)C(C)N[13CH3] 2230a_100000737859_200025704644 [1,0,0,0,0,0|2,0,1]=4 933 B12R1.435 COc1cccc(c1)C(C)OC 34a_100000246466_200000210301 [1,0,0,0,0,0|1,0,1]=3 934 B12R1.435 COc1cccc(c1)C(C)OC 7a_100000246466_200000210301 [1,0,0,0,0,0|1,0,1]=3 935 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 34a_100000246466_200025704644 [1,0,0,0,0,0|1,0,1]=3 936 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 7a_100000246466_200025704644 [1,0,0,0,0,0|1,0,1]=3 937 B12R1.435 CSc1cccc(c1)C(=O)C#N 62a_200000210301_100010169886 [1,0,0,0,0,0|2,1,0]=4 938 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_100000726164_200000210301 [1,0,0,0,0,0|2,1,0]=4 939 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_200000210301_100000726164 [1,0,0,0,0,0|2,1,0]=4 940 B12R1.435 CSc1cccc(c1)C(=O)CF 1458a_100011217804_100015361967 [1,0,0,0,0,0|2,1,0]=4 941 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_100020587001_200000210301 [1,0,0,0,0,0|2,1,0]=4 942 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_200000210301_100020587001 [1,0,0,0,0,0|2,1,0]=4 943 B12R1.435 CSc1cccc(c1)C(=O)NN 62a_100000189783_200000210301 [1,0,0,0,0,0|2,1,0]=4 944 B12R1.435 CSc1cccc(c1)C(=O)NN 62a_200000210301_100000189783 [1,0,0,0,0,0|2,1,0]=4 945 B12R1.435 [13CH3]Oc1cccc(c1)C(=NO)N 34a_100000738085_200025704644 [1,0,0,0,0,0|3,0,0]=4 946 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)CBr 7a_100009813753_200025704644 [1,0,0,0,0,0|2,0,0]=3 947 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)NN 34a_100000184184_200025704644 [1,0,0,0,0,0|2,0,0]=3 948 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C#N 62a_200025704644_100010169886 [1,0,0,0,0,0|2,1,0]=4 949 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_100000726164_200025704644 [1,0,0,0,0,0|2,1,0]=4 950 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_200025704644_100000726164 [1,0,0,0,0,0|2,1,0]=4 951 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_100020587001_200025704644 [1,0,0,0,0,0|2,1,0]=4 952 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_200025704644_100020587001 [1,0,0,0,0,0|2,1,0]=4 953 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)NN 62a_100000189783_200025704644 [1,0,0,0,0,0|2,1,0]=4 954 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)NN 62a_200025704644_100000189783 [1,0,0,0,0,0|2,1,0]=4 955 B14R1.41 CC(C)C(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_100000210206 [0,1,0,0,0,0|3,0,0]=4 956 B14R1.41 CCc1cc(ccc1Br)C(=O)C(C)C 1458a_100010152358_100000210206 [0,1,0,0,0,0|3,0,0]=4 957 B14R1.41 CCc1cc(ccc1Br)C(=O)N(C)C 11a_100102631434_100010152358 [0,1,0,0,0,0|3,0,0]=4 958 B14R1.41 CCc1cc(ccc1Br)C(=O)N(C)C 1626a_100102631434_100010152358 [0,1,0,0,0,0|3,0,0]=4 959 B14R1.41 CCc1cc(ccc1Br)C(=O)N(C)C 240690a_100102631434_100010152358 [0,1,0,0,0,0|3,0,0]=4 960 B14R1.41 CCc1cc(ccc1Br)C(=O)N(C)C 527a_100102631434_100010152358 [0,1,0,0,0,0|3,0,0]=4 961 B14R1.41 CCc1cc(ccc1Cl)C(=O)C(C)C 1458a_100000102533_100000210206 [0,1,0,0,0,0|3,0,0]=4 962 B14R1.41 CCc1cc(ccc1Cl)C(=O)N(C)C 11a_100102631434_100000102533 [0,1,0,0,0,0|3,0,0]=4 963 B14R1.41 CCc1cc(ccc1Cl)C(=O)N(C)C 1626a_100102631434_100000102533 [0,1,0,0,0,0|3,0,0]=4 964 B14R1.41 CCc1cc(ccc1Cl)C(=O)N(C)C 240690a_100102631434_100000102533 [0,1,0,0,0,0|3,0,0]=4 965 B14R1.41 CCc1cc(ccc1Cl)C(=O)N(C)C 527a_100102631434_100000102533 [0,1,0,0,0,0|3,0,0]=4 966 B14R1.41 CCc1cc(ccc1F)C(=O)C(C)C 1458a_100009883079_100000210206 [0,1,0,0,0,0|3,0,0]=4 967 B14R1.41 CCc1cc(ccc1F)C(=O)N(C)C 11a_100102631434_100009883079 [0,1,0,0,0,0|3,0,0]=4 968 B14R1.41 CCc1cc(ccc1F)C(=O)N(C)C 1626a_100102631434_100009883079 [0,1,0,0,0,0|3,0,0]=4 969 B14R1.41 CCc1cc(ccc1F)C(=O)N(C)C 240690a_100102631434_100009883079 [0,1,0,0,0,0|3,0,0]=4 970 B14R1.41 CCc1cc(ccc1F)C(=O)N(C)C 527a_100102631434_100009883079 [0,1,0,0,0,0|3,0,0]=4 971 B14R1.41 CCc1cc(ccc1O)C(=C(C)C)C 271570a_200000049429_100012338938 [0,1,0,0,0,0|3,0,0]=4 972 B14R1.41 CN(C)C(=O)c1ccc(c(c1)N[13CH3])F 34a_103624757406_200025704644 [0,1,0,0,0,0|3,0,0]=4 973 B14R1.41 CN(C)C(=O)c1ccc(c(c1)N[13CH3])F 7a_103624757406_200025704644 [0,1,0,0,0,0|3,0,0]=4 974 B14R1.41 CNc1cc(ccc1F)C(=O)N(C)C 34a_103624757406_200000210301 [0,1,0,0,0,0|3,0,0]=4 975 B14R1.41 CNc1cc(ccc1F)C(=O)N(C)C 7a_103624757406_200000210301 [0,1,0,0,0,0|3,0,0]=4 976 B14R1.41 COc1cc(ccc1Br)C(=C(C)C)C 271570a_200000049429_100012353699 [0,1,0,0,0,0|3,0,0]=4 977 B14R1.41 COc1cc(ccc1Br)C(=O)C(C)C 1458a_100011934951_100000210206 [0,1,0,0,0,0|2,0,0]=3 978 B14R1.41 COc1cc(ccc1Br)C(=O)N(C)C 11a_100102631434_100011934951 [0,1,0,0,0,0|2,0,0]=3 979 B14R1.41 COc1cc(ccc1Br)C(=O)N(C)C 1626a_100102631434_100011934951 [0,1,0,0,0,0|2,0,0]=3 980 B14R1.41 COc1cc(ccc1Br)C(=O)N(C)C 240690a_100102631434_100011934951 [0,1,0,0,0,0|2,0,0]=3 981 B14R1.41 COc1cc(ccc1Br)C(=O)N(C)C 527a_100102631434_100011934951 [0,1,0,0,0,0|2,0,0]=3 982 B14R1.41 COc1cc(ccc1C)C(=C(C)C)C 271570a_200000049429_100011830276 [0,1,0,0,0,0|3,0,0]=4 983 B14R1.41 COc1cc(ccc1C)C(=O)C(C)C 1458a_100000212341_100000210206 [0,1,0,0,0,0|2,0,0]=3 984 B14R1.41 COc1cc(ccc1C)C(=O)N(C)C 11a_100102631434_100000212341 [0,1,0,0,0,0|2,0,0]=3 985 B14R1.41 COc1cc(ccc1C)C(=O)N(C)C 1626a_100102631434_100000212341 [0,1,0,0,0,0|2,0,0]=3 986 B14R1.41 COc1cc(ccc1C)C(=O)N(C)C 240690a_100102631434_100000212341 [0,1,0,0,0,0|2,0,0]=3 987 B14R1.41 COc1cc(ccc1C)C(=O)N(C)C 527a_100102631434_100000212341 [0,1,0,0,0,0|2,0,0]=3 988 B14R1.41 COc1cc(ccc1Cl)C(=C(C)C)C 271570a_200000049429_100011356853 [0,1,0,0,0,0|3,0,0]=4 989 B14R1.41 COc1cc(ccc1Cl)C(=O)C(C)C 1458a_100000181799_100000210206 [0,1,0,0,0,0|2,0,0]=3 990 B14R1.41 COc1cc(ccc1Cl)C(=O)N(C)C 11a_100102631434_100000181799 [0,1,0,0,0,0|2,0,0]=3 991 B14R1.41 COc1cc(ccc1Cl)C(=O)N(C)C 1626a_100102631434_100000181799 [0,1,0,0,0,0|2,0,0]=3 992 B14R1.41 COc1cc(ccc1Cl)C(=O)N(C)C 240690a_100102631434_100000181799 [0,1,0,0,0,0|2,0,0]=3 993 B14R1.41 COc1cc(ccc1Cl)C(=O)N(C)C 527a_100102631434_100000181799 [0,1,0,0,0,0|2,0,0]=3 994 B14R1.41 COc1cc(ccc1F)C(=C(C)C)C 271570a_200000049429_100011934186 [0,1,0,0,0,0|3,0,0]=4 995 B14R1.41 COc1cc(ccc1F)C(=O)C(C)C 1458a_100000757635_100000210206 [0,1,0,0,0,0|2,0,0]=3 996 B14R1.41 COc1cc(ccc1F)C(=O)N(C)C 11a_100102631434_100000757635 [0,1,0,0,0,0|2,0,0]=3 997 B14R1.41 COc1cc(ccc1F)C(=O)N(C)C 1626a_100102631434_100000757635 [0,1,0,0,0,0|2,0,0]=3 998 B14R1.41 COc1cc(ccc1F)C(=O)N(C)C 240690a_100102631434_100000757635 [0,1,0,0,0,0|2,0,0]=3 999 B14R1.41 COc1cc(ccc1F)C(=O)N(C)C 527a_100102631434_100000757635 [0,1,0,0,0,0|2,0,0]=3 1000 B14R1.41 COc1cc(ccc1I)C(=O)C(C)C 1458a_100012356290_100000210206 [0,1,0,0,0,0|2,0,0]=3 1001 B14R1.41 COc1cc(ccc1I)C(=O)N(C)C 11a_100102631434_100012356290 [0,1,0,0,0,0|2,0,0]=3 1002 B14R1.41 COc1cc(ccc1I)C(=O)N(C)C 1626a_100102631434_100012356290 [0,1,0,0,0,0|2,0,0]=3 1003 B14R1.41 COc1cc(ccc1I)C(=O)N(C)C 240690a_100102631434_100012356290 [0,1,0,0,0,0|2,0,0]=3 1004 B14R1.41 COc1cc(ccc1I)C(=O)N(C)C 527a_100102631434_100012356290 [0,1,0,0,0,0|2,0,0]=3 1005 B14R1.41 COc1cc(ccc1N)C(=C(C)C)C 271570a_200000049429_100011279103 [0,1,0,0,0,0|3,0,0]=4 1006 B14R1.41 COc1cc(ccc1O)C(=C(C)C)C 271570a_200000049429_100000694246 [0,1,0,0,0,0|2,0,0]=3 1007 B14R1.41 COc1cc(ccc1O)C(=O)C(C)C 1458a_100000687070_100000210206 [0,1,0,0,0,0|1,0,0]=2 1008 B14R1.41 COc1cc(ccc1O)C(=O)N(C)C 240690a_100102631434_100000687070 [0,1,0,0,0,0|1,0,0]=2 1009 B14R1.41 COc1cc(ccc1O)C(O)C(=O)C 1458a_100000036414_200000210301 [0,1,0,0,0,0|1,0,2]=4 1010 B14R1.41 COc1cc(ccc1O)C(O)C(=O)[13CH3] 1458a_100000036414_200025704644 [0,1,0,0,0,0|1,0,2]=4 1011 B14R1.41 COc1nc(ccc1O)C(=C(C)C)C 271570a_200000049429_100010893133 [0,1,0,0,0,0|3,0,0]=4 1012 B14R1.358 C=Cc1cc(cc(c1C)Cl)C(=O)OC 271570a_100011290941_100012360618 [0,1,0,0,0,0|2,0,1]=4 1013 B14R1.358 C=Cc1cc(cc(c1C)F)C(=O)OC 271570a_100011290941_100012920391 [0,1,0,0,0,0|2,0,1]=4 1014 B14R1.358 C=Cc1cc(cc(c1C)N)C(=O)OC 271570a_100011290941_100012353609 [0,1,0,0,0,0|2,0,1]=4 1015 B14R1.358 C=Cc1cc(cc(c1F)F)C(=O)OC 271570a_100011290941_100010189562 [0,1,0,0,0,0|2,0,1]=4 1016 B14R1.358 C=Cc1cc(cc(c1F)N)C(=O)OC 271570a_100011290941_200010713629 [0,1,0,0,0,0|2,0,1]=4 1017 B14R1.358 C=Cc1cc(cc(c1N)C)C(=O)OC 271570a_100011290941_100010177015 [0,1,0,0,0,0|2,0,1]=4 1018 B14R1.358 C=Cc1cc(cc(c1N)F)C(=O)OC 271570a_100011290941_100010170820 [0,1,0,0,0,0|2,0,1]=4 1019 B14R1.358 C=Cc1cc(cc(c1N)N)C(=O)OC 271570a_100011290941_100010128412 [0,1,0,0,0,0|2,0,1]=4 1020 B14R1.358 C=Cc1cc(cc(c1O)Cl)C(=O)OC 271570a_100011290941_100135280131 [0,1,0,0,0,0|1,0,1]=3 1021 B14R1.358 C=Cc1cc(cc(c1O)N)C(=O)OC 271570a_100011290941_100010372079 [0,1,0,0,0,0|1,0,1]=3 1022 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)Cl)Br 1458a_100020639751_100000210202 [0,1,0,0,0,0|2,0,0]=3 1023 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)F)F 1458a_100000081826_100000210202 [0,1,0,0,0,0|2,0,0]=3 1024 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)O)Cl 1458a_100000209947_100000210202 [0,1,0,0,0,0|1,0,0]=2 1025 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000210202 [0,1,0,0,0,0|1,0,0]=2 1026 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)Cl)Br 11a_106832991635_100020639751 [0,1,0,0,0,0|2,0,0]=3 1027 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)Cl)Br 1626a_100102657272_100020639751 [0,1,0,0,0,0|2,0,0]=3 1028 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)Cl)Br 240690a_100102657272_100020639751 [0,1,0,0,0,0|2,0,0]=3 1029 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)Cl)Br 527a_100102657272_100020639751 [0,1,0,0,0,0|2,0,0]=3 1030 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)F)F 11a_106832991635_100000081826 [0,1,0,0,0,0|2,0,0]=3 1031 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)F)F 1626a_100102657272_100000081826 [0,1,0,0,0,0|2,0,0]=3 1032 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)F)F 240690a_100102657272_100000081826 [0,1,0,0,0,0|2,0,0]=3 1033 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)F)F 527a_100102657272_100000081826 [0,1,0,0,0,0|2,0,0]=3 1034 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)O)Cl 240690a_100102657272_100000209947 [0,1,0,0,0,0|1,0,0]=2 1035 B14R1.358 COC(=O)c1cc(c(=O)n(c1)C)SC 62a_200000210301_200010887340 [0,1,0,0,0,0|1,1,1]=4 1036 B14R1.358 COC(=O)c1cc(c(=O)n(c1)C)SC 62a_200010887340_200000210301 [0,1,0,0,0,0|1,1,1]=4 1037 B14R1.358 COC(=O)c1cc(c(=O)n(c1)C)S[13CH3] 62a_200010887340_200025704644 [0,1,0,0,0,0|1,1,1]=4 1038 B14R1.358 COC(=O)c1cc(c(=O)n(c1)C)S[13CH3] 62a_200025704644_200010887340 [0,1,0,0,0,0|1,1,1]=4 1039 B14R1.358 COC(=O)c1cc(c(c(c1)C=O)O)O 271570a_203496583355_100010724619 [0,1,0,0,0,0|2,0,0]=3 1040 B14R1.358 COC(=O)c1cc(c(c(c1)OC)C)F 34a_100000101006_200000210301 [0,1,0,0,0,0|1,0,0]=2 1041 B14R1.358 COC(=O)c1cc(c(c(c1)OC)C)F 7a_100000101006_200000210301 [0,1,0,0,0,0|1,0,0]=2 1042 B14R1.358 COC(=O)c1cc(c(c(c1)OC)Cl)Br 34a_200020639753_200000210301 [0,1,0,0,0,0|1,0,0]=2 1043 B14R1.358 COC(=O)c1cc(c(c(c1)OC)Cl)Br 7a_200020639753_200000210301 [0,1,0,0,0,0|1,0,0]=2 1044 B14R1.358 COC(=O)c1cc(c(c(c1)OC)N)O 271570a_203496583355_100010236038 [0,1,0,0,0,0|1,0,0]=2 1045 B14R1.358 COC(=O)c1cc(c(c(c1)OC)O)O 271570a_203496583355_200009811556 [0,1,0,0,0,0|0,0,0]=1 1046 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])C)F 34a_100000101006_200025704644 [0,1,0,0,0,0|1,0,0]=2 1047 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])C)F 7a_100000101006_200025704644 [0,1,0,0,0,0|1,0,0]=2 1048 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])Cl)Br 34a_200020639753_200025704644 [0,1,0,0,0,0|1,0,0]=2 1049 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])Cl)Br 7a_200020639753_200025704644 [0,1,0,0,0,0|1,0,0]=2 1050 B14R1.358 COC(=O)c1cc(c(c(c1)SC)C)Cl 62a_100012360618_200000210301 [0,1,0,0,0,0|1,1,0]=3 1051 B14R1.358 COC(=O)c1cc(c(c(c1)SC)C)Cl 62a_200000210301_100012360618 [0,1,0,0,0,0|1,1,0]=3 1052 B14R1.358 COC(=O)c1cc(c(c(c1)SC)C)F 62a_100012920391_200000210301 [0,1,0,0,0,0|1,1,0]=3 1053 B14R1.358 COC(=O)c1cc(c(c(c1)SC)C)F 62a_200000210301_100012920391 [0,1,0,0,0,0|1,1,0]=3 1054 B14R1.358 COC(=O)c1cc(c(c(c1)SC)C)N 62a_100012353609_200000210301 [0,1,0,0,0,0|1,1,0]=3 1055 B14R1.358 COC(=O)c1cc(c(c(c1)SC)C)N 62a_200000210301_100012353609 [0,1,0,0,0,0|1,1,0]=3 1056 B14R1.358 COC(=O)c1cc(c(c(c1)SC)F)F 62a_100010189562_200000210301 [0,1,0,0,0,0|1,1,0]=3 1057 B14R1.358 COC(=O)c1cc(c(c(c1)SC)F)F 62a_200000210301_100010189562 [0,1,0,0,0,0|1,1,0]=3 1058 B14R1.358 COC(=O)c1cc(c(c(c1)SC)F)N 62a_200000210301_200010713629 [0,1,0,0,0,0|1,1,0]=3 1059 B14R1.358 COC(=O)c1cc(c(c(c1)SC)F)N 62a_200010713629_200000210301 [0,1,0,0,0,0|1,1,0]=3 1060 B14R1.358 COC(=O)c1cc(c(c(c1)SC)N)C 62a_100010177015_200000210301 [0,1,0,0,0,0|1,1,0]=3 1061 B14R1.358 COC(=O)c1cc(c(c(c1)SC)N)C 62a_200000210301_100010177015 [0,1,0,0,0,0|1,1,0]=3 1062 B14R1.358 COC(=O)c1cc(c(c(c1)SC)N)F 62a_100010170820_200000210301 [0,1,0,0,0,0|1,1,0]=3 1063 B14R1.358 COC(=O)c1cc(c(c(c1)SC)N)F 62a_200000210301_100010170820 [0,1,0,0,0,0|1,1,0]=3 1064 B14R1.358 COC(=O)c1cc(c(c(c1)SC)N)N 62a_100010128412_200000210301 [0,1,0,0,0,0|1,1,0]=3 1065 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)Cl 62a_100135280131_200000210301 [0,1,0,0,0,0|0,1,0]=2 1066 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)Cl 62a_200000210301_100135280131 [0,1,0,0,0,0|0,1,0]=2 1067 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)N 62a_100010372079_200000210301 [0,1,0,0,0,0|0,1,0]=2 1068 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)N 62a_200000210301_100010372079 [0,1,0,0,0,0|0,1,0]=2 1069 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])C)Cl 62a_100012360618_200025704644 [0,1,0,0,0,0|1,1,0]=3 1070 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])C)Cl 62a_200025704644_100012360618 [0,1,0,0,0,0|1,1,0]=3 1071 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])C)F 62a_100012920391_200025704644 [0,1,0,0,0,0|1,1,0]=3 1072 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])C)F 62a_200025704644_100012920391 [0,1,0,0,0,0|1,1,0]=3 1073 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])C)N 62a_100012353609_200025704644 [0,1,0,0,0,0|1,1,0]=3 1074 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])C)N 62a_200025704644_100012353609 [0,1,0,0,0,0|1,1,0]=3 1075 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])F)F 62a_100010189562_200025704644 [0,1,0,0,0,0|1,1,0]=3 1076 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])F)F 62a_200025704644_100010189562 [0,1,0,0,0,0|1,1,0]=3 1077 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])F)N 62a_200010713629_200025704644 [0,1,0,0,0,0|1,1,0]=3 1078 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])F)N 62a_200025704644_200010713629 [0,1,0,0,0,0|1,1,0]=3 1079 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])N)C 62a_100010177015_200025704644 [0,1,0,0,0,0|1,1,0]=3 1080 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])N)C 62a_200025704644_100010177015 [0,1,0,0,0,0|1,1,0]=3 1081 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])N)F 62a_100010170820_200025704644 [0,1,0,0,0,0|1,1,0]=3 1082 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])N)F 62a_200025704644_100010170820 [0,1,0,0,0,0|1,1,0]=3 1083 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])N)N 62a_100010128412_200025704644 [0,1,0,0,0,0|1,1,0]=3 1084 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)Cl 62a_100135280131_200025704644 [0,1,0,0,0,0|0,1,0]=2 1085 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)Cl 62a_200025704644_100135280131 [0,1,0,0,0,0|0,1,0]=2 1086 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)N 62a_100010372079_200025704644 [0,1,0,0,0,0|0,1,0]=2 1087 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)N 62a_200025704644_100010372079 [0,1,0,0,0,0|0,1,0]=2 1088 B14R1.358 COc1cc(cc(c1Cl)Br)C(=O)CF 1458a_100020639751_100015361967 [0,1,0,0,0,0|3,0,0]=4 1089 B14R1.358 COc1cc(cc(c1F)F)C(=O)CF 1458a_100000081826_100015361967 [0,1,0,0,0,0|3,0,0]=4 1090 B14R1.358 COc1cc(cc(c1O)Cl)C(=O)CF 1458a_100000209947_100015361967 [0,1,0,0,0,0|2,0,0]=3 1091 B14R1.358 COc1cc(cc(c1O)O)C(=O)CF 1458a_100000061230_100015361967 [0,1,0,0,0,0|2,0,0]=3 1092 B14R1.436 C=C=Cc1cc(ccc1Br)C(=O)OC 271570a_100015277604_100012349818 [0,1,0,0,0,0|2,0,1]=4 1093 B14R1.436 C=C=Cc1cc(ccc1C)C(=O)OC 271570a_100015277604_100011218856 [0,1,0,0,0,0|2,0,1]=4 1094 B14R1.436 C=C=Cc1cc(ccc1Cl)C(=O)OC 271570a_100015277604_100011294800 [0,1,0,0,0,0|2,0,1]=4 1095 B14R1.436 C=C=Cc1cc(ccc1F)C(=O)OC 271570a_100015277604_100000722584 [0,1,0,0,0,0|2,0,1]=4 1096 B14R1.436 C=C=Cc1cc(ccc1N)C(=O)OC 271570a_100015277604_100000187552 [0,1,0,0,0,0|2,0,1]=4 1097 B14R1.436 C=C=Cc1cc(ccc1O)C(=O)OC 271570a_100015277604_100000216328 [0,1,0,0,0,0|1,0,1]=3 1098 B14R1.436 C=C=Cc1cc(cnc1O)C(=O)OC 271570a_100015277604_100010109663 [0,1,0,0,0,0|2,0,1]=4 1099 B14R1.436 C=C=Cc1nc(ccc1O)C(=O)OC 271570a_100015277604_200009815348 [0,1,0,0,0,0|2,0,1]=4 1100 B14R1.436 CC=Cc1cc(ccc1Br)C(=O)OC 271570a_100016259895_100012349818 [0,1,0,0,0,0|2,0,0]=3 1101 B14R1.436 CC=Cc1cc(ccc1C)C(=O)OC 271570a_100016259895_100011218856 [0,1,0,0,0,0|2,0,0]=3 1102 B14R1.436 CC=Cc1cc(ccc1Cl)C(=O)OC 271570a_100016259895_100011294800 [0,1,0,0,0,0|2,0,0]=3 1103 B14R1.436 CC=Cc1cc(ccc1F)C(=O)CC 271570a_100016259895_100011216493 [0,1,0,0,0,0|3,0,0]=4 1104 B14R1.436 CC=Cc1cc(ccc1F)C(=O)NC 271570a_100016259895_200012359898 [0,1,0,0,0,0|3,0,0]=4 1105 B14R1.436 CC=Cc1cc(ccc1F)C(=O)OC 271570a_100016259895_100000722584 [0,1,0,0,0,0|2,0,0]=3 1106 B14R1.436 CC=Cc1cc(ccc1N)C(=O)OC 271570a_100016259895_100000187552 [0,1,0,0,0,0|2,0,0]=3 1107 B14R1.436 CC=Cc1cc(ccc1O)C(=O)OC 271570a_100016259895_100000216328 [0,1,0,0,0,0|1,0,0]=2 1108 B14R1.436 CC=Cc1cc(cnc1Cl)C(=O)OC 271570a_100016259895_100010188758 [0,1,0,0,0,0|3,0,0]=4 1109 B14R1.436 CC=Cc1cc(cnc1F)C(=O)OC 271570a_100016259895_100000117919 [0,1,0,0,0,0|3,0,0]=4 1110 B14R1.436 CC=Cc1cc(cnc1N)C(=O)OC 271570a_100016259895_100009816800 [0,1,0,0,0,0|3,0,0]=4 1111 B14R1.436 CC=Cc1cc(cnc1O)C(=O)OC 271570a_100016259895_100010109663 [0,1,0,0,0,0|2,0,0]=3 1112 B14R1.436 CC=Cc1cc(coc1=O)C(=O)OC 271570a_100016259895_100009812866 [0,1,0,0,0,0|2,0,1]=4 1113 B14R1.436 CC=Cc1cc(ncc1C)C(=O)OC 271570a_100016259895_100000065005 [0,1,0,0,0,0|3,0,0]=4 1114 B14R1.436 CC=Cc1nc(ccc1C)C(=O)OC 271570a_100016259895_100010143800 [0,1,0,0,0,0|3,0,0]=4 1115 B14R1.436 CC=Cc1nc(ccc1F)C(=O)OC 271570a_100016259895_100010189626 [0,1,0,0,0,0|3,0,0]=4 1116 B14R1.436 CC=Cc1nc(ccc1O)C(=O)OC 271570a_100016259895_200009815348 [0,1,0,0,0,0|2,0,0]=3 1117 B14R1.436 CCC(=O)c1ccc(c(c1)SCF)F 62a_100011216493_100015361967 [0,1,0,0,0,0|2,1,0]=4 1118 B14R1.436 CCC(=O)c1ccc(c(c1)SCF)F 62a_100015361967_100011216493 [0,1,0,0,0,0|2,1,0]=4 1119 B14R1.436 CCCc1cc(ccc1F)C(=O)CC 1458a_100009923992_100000210202 [0,1,0,0,0,0|3,0,0]=4 1120 B14R1.436 CCCc1cc(ccc1F)C(=O)NC 11a_106832991635_100009923992 [0,1,0,0,0,0|3,0,0]=4 1121 B14R1.436 CCCc1cc(ccc1F)C(=O)NC 1626a_100102657272_100009923992 [0,1,0,0,0,0|3,0,0]=4 1122 B14R1.436 CCCc1cc(ccc1F)C(=O)NC 240690a_100102657272_100009923992 [0,1,0,0,0,0|3,0,0]=4 1123 B14R1.436 CCCc1cc(ccc1F)C(=O)NC 527a_100102657272_100009923992 [0,1,0,0,0,0|3,0,0]=4 1124 B14R1.436 CCNc1cc(ccc1C)C(=O)NC 2230a_100000737617_100000210202 [0,1,0,0,0,0|3,0,0]=4 1125 B14R1.436 CCNc1cc(ccc1C)C(=O)NC 34a_100000737617_100000210202 [0,1,0,0,0,0|3,0,0]=4 1126 B14R1.436 CCNc1cc(ccc1C)C(=O)NC 7a_100000737617_100000210202 [0,1,0,0,0,0|3,0,0]=4 1127 B14R1.436 CCNc1cc(ccc1Cl)C(=O)NC 34a_100000740709_100000210202 [0,1,0,0,0,0|3,0,0]=4 1128 B14R1.436 CCNc1cc(ccc1F)C(=O)NC 27a_100015525214_200012359898 [0,1,0,0,0,0|3,0,0]=4 1129 B14R1.436 CCNc1cc(ccc1F)C(=O)NC 34a_100011295210_100000210202 [0,1,0,0,0,0|3,0,0]=4 1130 B14R1.436 CCNc1cc(cnc1F)C(=O)OC 27a_100015525214_100000117919 [0,1,0,0,0,0|3,0,0]=4 1131 B14R1.436 CCOc1cc(ccc1Br)C(=O)OC 34a_100011934688_100000210202 [0,1,0,0,0,0|1,0,0]=2 1132 B14R1.436 CCOc1cc(ccc1Br)C(=O)OC 7a_100011934688_100000210202 [0,1,0,0,0,0|1,0,0]=2 1133 B14R1.436 CCOc1cc(ccc1C)C(=O)CC 1458a_100000238212_100000210202 [0,1,0,0,0,0|2,0,0]=3 1134 B14R1.436 CCOc1cc(ccc1C)C(=O)CF 1458a_100000238212_100015361967 [0,1,0,0,0,0|3,0,0]=4 1135 B14R1.436 CCOc1cc(ccc1C)C(=O)NC 11a_106832991635_100000238212 [0,1,0,0,0,0|2,0,0]=3 1136 B14R1.436 CCOc1cc(ccc1C)C(=O)NC 1626a_100102657272_100000238212 [0,1,0,0,0,0|2,0,0]=3 1137 B14R1.436 CCOc1cc(ccc1C)C(=O)NC 240690a_100102657272_100000238212 [0,1,0,0,0,0|2,0,0]=3 1138 B14R1.436 CCOc1cc(ccc1C)C(=O)NC 527a_100102657272_100000238212 [0,1,0,0,0,0|2,0,0]=3 1139 B14R1.436 CCOc1cc(ccc1C)C(=O)OC 34a_100000736511_100000210202 [0,1,0,0,0,0|1,0,0]=2 1140 B14R1.436 CCOc1cc(ccc1C)C(=O)OC 7a_100000736511_100000210202 [0,1,0,0,0,0|1,0,0]=2 1141 B14R1.436 CCOc1cc(ccc1Cl)C(=O)CC 1458a_200010207389_100000210202 [0,1,0,0,0,0|2,0,0]=3 1142 B14R1.436 CCOc1cc(ccc1Cl)C(=O)CF 1458a_200010207389_100015361967 [0,1,0,0,0,0|3,0,0]=4 1143 B14R1.436 CCOc1cc(ccc1Cl)C(=O)NC 11a_106832991635_200010207389 [0,1,0,0,0,0|2,0,0]=3 1144 B14R1.436 CCOc1cc(ccc1Cl)C(=O)NC 1626a_100102657272_200010207389 [0,1,0,0,0,0|2,0,0]=3 1145 B14R1.436 CCOc1cc(ccc1Cl)C(=O)NC 240690a_100102657272_200010207389 [0,1,0,0,0,0|2,0,0]=3 1146 B14R1.436 CCOc1cc(ccc1Cl)C(=O)NC 527a_100102657272_200010207389 [0,1,0,0,0,0|2,0,0]=3 1147 B14R1.436 CCOc1cc(ccc1Cl)C(=O)OC 34a_100000103815_100000210202 [0,1,0,0,0,0|1,0,0]=2 1148 B14R1.436 CCOc1cc(ccc1Cl)C(=O)OC 7a_100000103815_100000210202 [0,1,0,0,0,0|1,0,0]=2 1149 B14R1.436 CCOc1cc(ccc1F)C(=O)OC 34a_100000062259_100000210202 [0,1,0,0,0,0|1,0,0]=2 1150 B14R1.436 CCOc1cc(ccc1F)C(=O)OC 7a_100000062259_100000210202 [0,1,0,0,0,0|1,0,0]=2 1151 B14R1.436 CCOc1cc(ccc1I)C(=O)OC 34a_100012350776_100000210202 [0,1,0,0,0,0|1,0,0]=2 1152 B14R1.436 CCOc1cc(ccc1I)C(=O)OC 7a_100012350776_100000210202 [0,1,0,0,0,0|1,0,0]=2 1153 B14R1.436 CCOc1cc(ccc1N)C(=O)NN 34a_200000073589_100000210202 [0,1,0,0,0,0|3,0,0]=4 1154 B14R1.436 CCOc1cc(ccc1N)C(=O)OC 34a_100000757247_100000210202 [0,1,0,0,0,0|1,0,0]=2 1155 B14R1.436 CCOc1cc(ccc1N)C(=O)OC 7a_100000757247_100000210202 [0,1,0,0,0,0|1,0,0]=2 1156 B14R1.436 CCOc1cc(ccc1O)C(=O)CC 1458a_100011260950_100000210202 [0,1,0,0,0,0|1,0,0]=2 1157 B14R1.436 CCOc1cc(ccc1O)C(=O)CF 1458a_100011260950_100015361967 [0,1,0,0,0,0|2,0,0]=3 1158 B14R1.436 CCOc1cc(ccc1O)C(=O)NC 240690a_100102657272_100011260950 [0,1,0,0,0,0|1,0,0]=2 1159 B14R1.436 CCOc1cc(cnc1Cl)C(=O)OC 34a_100009840551_100000210202 [0,1,0,0,0,0|2,0,0]=3 1160 B14R1.436 CCOc1cc(cnc1Cl)C(=O)OC 7a_100009840551_100000210202 [0,1,0,0,0,0|2,0,0]=3 1161 B14R1.436 CCOc1cc(cnc1I)C(=O)OC 34a_100010999399_100000210202 [0,1,0,0,0,0|2,0,0]=3 1162 B14R1.436 CCOc1cc(cnc1I)C(=O)OC 7a_100010999399_100000210202 [0,1,0,0,0,0|2,0,0]=3 1163 B14R1.436 CCOc1cc(cnc1N)C(=O)OC 34a_100009857207_100000210202 [0,1,0,0,0,0|2,0,0]=3 1164 B14R1.436 CCOc1cc(cnc1N)C(=O)OC 7a_100009857207_100000210202 [0,1,0,0,0,0|2,0,0]=3 1165 B14R1.436 CCSc1cc(ccc1Br)C(=O)OC 62a_100000210202_100012349818 [0,1,0,0,0,0|1,1,0]=3 1166 B14R1.436 CCSc1cc(ccc1Br)C(=O)OC 62a_100012349818_100000210202 [0,1,0,0,0,0|1,1,0]=3 1167 B14R1.436 CCSc1cc(ccc1C)C(=O)OC 62a_100000210202_100000723194 [0,1,0,0,0,0|1,1,0]=3 1168 B14R1.436 CCSc1cc(ccc1C)C(=O)OC 62a_100000723194_100000210202 [0,1,0,0,0,0|1,1,0]=3 1169 B14R1.436 CCSc1cc(ccc1Cl)C(=O)OC 62a_100000210202_100011294800 [0,1,0,0,0,0|1,1,0]=3 1170 B14R1.436 CCSc1cc(ccc1Cl)C(=O)OC 62a_100011294800_100000210202 [0,1,0,0,0,0|1,1,0]=3 1171 B14R1.436 CCSc1cc(ccc1F)C(=O)CC 62a_100000210202_100011216493 [0,1,0,0,0,0|2,1,0]=4 1172 B14R1.436 CCSc1cc(ccc1F)C(=O)CC 62a_100011216493_100000210202 [0,1,0,0,0,0|2,1,0]=4 1173 B14R1.436 CCSc1cc(ccc1F)C(=O)NC 62a_100000210202_200012359898 [0,1,0,0,0,0|2,1,0]=4 1174 B14R1.436 CCSc1cc(ccc1F)C(=O)NC 62a_200012359898_100000210202 [0,1,0,0,0,0|2,1,0]=4 1175 B14R1.436 CCSc1cc(ccc1F)C(=O)OC 62a_100000210202_100000722584 [0,1,0,0,0,0|1,1,0]=3 1176 B14R1.436 CCSc1cc(ccc1F)C(=O)OC 62a_100000722584_100000210202 [0,1,0,0,0,0|1,1,0]=3 1177 B14R1.436 CCSc1cc(ccc1N)C(=O)OC 62a_100000187552_100000210202 [0,1,0,0,0,0|1,1,0]=3 1178 B14R1.436 CCSc1cc(ccc1N)C(=O)OC 62a_100000210202_100000187552 [0,1,0,0,0,0|1,1,0]=3 1179 B14R1.436 CCSc1cc(ccc1O)C(=O)OC 62a_100000210202_100000216328 [0,1,0,0,0,0|0,1,0]=2 1180 B14R1.436 CCSc1cc(ccc1O)C(=O)OC 62a_100000216328_100000210202 [0,1,0,0,0,0|0,1,0]=2 1181 B14R1.436 CCSc1cc(cnc1Cl)C(=O)OC 62a_100000210202_100010188758 [0,1,0,0,0,0|2,1,0]=4 1182 B14R1.436 CCSc1cc(cnc1Cl)C(=O)OC 62a_100010188758_100000210202 [0,1,0,0,0,0|2,1,0]=4 1183 B14R1.436 CCSc1cc(cnc1F)C(=O)OC 62a_100000117919_100000210202 [0,1,0,0,0,0|2,1,0]=4 1184 B14R1.436 CCSc1cc(cnc1F)C(=O)OC 62a_100000210202_100000117919 [0,1,0,0,0,0|2,1,0]=4 1185 B14R1.436 CCSc1cc(cnc1N)C(=O)OC 62a_100000210202_100009816800 [0,1,0,0,0,0|2,1,0]=4 1186 B14R1.436 CCSc1cc(cnc1N)C(=O)OC 62a_100009816800_100000210202 [0,1,0,0,0,0|2,1,0]=4 1187 B14R1.436 CCSc1cc(cnc1O)C(=O)OC 62a_100000210202_100010109663 [0,1,0,0,0,0|1,1,0]=3 1188 B14R1.436 CCSc1cc(cnc1O)C(=O)OC 62a_100010109663_100000210202 [0,1,0,0,0,0|1,1,0]=3 1189 B14R1.436 CCSc1cc(coc1=O)C(=O)OC 62a_100000210202_100009812866 [0,1,0,0,0,0|1,1,1]=4 1190 B14R1.436 CCSc1cc(coc1=O)C(=O)OC 62a_100009812866_100000210202 [0,1,0,0,0,0|1,1,1]=4 1191 B14R1.436 CCSc1cc(ncc1C)C(=O)OC 62a_100000065005_100000210202 [0,1,0,0,0,0|2,1,0]=4 1192 B14R1.436 CCSc1cc(ncc1C)C(=O)OC 62a_100000210202_100000065005 [0,1,0,0,0,0|2,1,0]=4 1193 B14R1.436 CCSc1nc(ccc1C)C(=O)OC 62a_100000210202_100010143800 [0,1,0,0,0,0|2,1,0]=4 1194 B14R1.436 CCSc1nc(ccc1C)C(=O)OC 62a_100010143800_100000210202 [0,1,0,0,0,0|2,1,0]=4 1195 B14R1.436 CCSc1nc(ccc1F)C(=O)OC 62a_100000210202_100010189626 [0,1,0,0,0,0|2,1,0]=4 1196 B14R1.436 CCSc1nc(ccc1F)C(=O)OC 62a_100010189626_100000210202 [0,1,0,0,0,0|2,1,0]=4 1197 B14R1.436 CCSc1nc(ccc1O)C(=O)OC 62a_100000210202_200009815348 [0,1,0,0,0,0|1,1,0]=3 1198 B14R1.436 CCSc1nc(ccc1O)C(=O)OC 62a_200009815348_100000210202 [0,1,0,0,0,0|1,1,0]=3 1199 B14R1.436 CNC(=O)c1ccc(c(c1)NCF)C 34a_100000737617_100015361967 [0,1,0,0,0,0|3,0,0]=4 1200 B14R1.436 CNC(=O)c1ccc(c(c1)NCF)C 7a_100000737617_100015361967 [0,1,0,0,0,0|3,0,0]=4 1201 B14R1.436 CNC(=O)c1ccc(c(c1)NCF)Cl 34a_100000740709_100015361967 [0,1,0,0,0,0|3,0,0]=4 1202 B14R1.436 CNC(=O)c1ccc(c(c1)NCF)F 34a_100011295210_100015361967 [0,1,0,0,0,0|3,0,0]=4 1203 B14R1.436 CNC(=O)c1ccc(c(c1)SCF)F 62a_100015361967_200012359898 [0,1,0,0,0,0|2,1,0]=4 1204 B14R1.436 CNC(=O)c1ccc(c(c1)SCF)F 62a_200012359898_100015361967 [0,1,0,0,0,0|2,1,0]=4 1205 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC 2230a_106832991635_100012232407 [0,1,0,0,0,0|2,0,0]=3 1206 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC 26a_100102657272_100011934688 [0,1,0,0,0,0|2,0,0]=3 1207 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC 270004a_106832991635_100012274322 [0,1,0,0,0,0|2,0,0]=3 1208 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC 34a_100102657272_100012232407 [0,1,0,0,0,0|2,0,0]=3 1209 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC 7a_106832991635_100012232407 [0,1,0,0,0,0|2,0,0]=3 1210 B14R1.436 CNCc1cc(ccc1C)C(=O)OC 270004a_106832991635_100010624047 [0,1,0,0,0,0|2,0,0]=3 1211 B14R1.436 CNCc1cc(ccc1Cl)C(=O)OC 2230a_106832991635_100000698984 [0,1,0,0,0,0|2,0,0]=3 1212 B14R1.436 CNCc1cc(ccc1Cl)C(=O)OC 26a_100102657272_100000103815 [0,1,0,0,0,0|2,0,0]=3 1213 B14R1.436 CNCc1cc(ccc1Cl)C(=O)OC 270004a_106832991635_100000725138 [0,1,0,0,0,0|2,0,0]=3 1214 B14R1.436 CNCc1cc(ccc1Cl)C(=O)OC 7a_106832991635_100000698984 [0,1,0,0,0,0|2,0,0]=3 1215 B14R1.436 CNCc1cc(ccc1F)C(=O)OC 26a_100102657272_100000062259 [0,1,0,0,0,0|2,0,0]=3 1216 B14R1.436 COC(=O)c1cc(c(cn1)C)SCF 62a_100000065005_100015361967 [0,1,0,0,0,0|2,1,0]=4 1217 B14R1.436 COC(=O)c1cc(c(cn1)C)SCF 62a_100015361967_100000065005 [0,1,0,0,0,0|2,1,0]=4 1218 B14R1.436 COC(=O)c1ccc(c(c1)CC#N)O 271570a_203496583355_100009888959 [0,1,0,0,0,0|1,0,1]=3 1219 B14R1.436 COC(=O)c1ccc(c(c1)CO[13CH3])Br 34a_100010201863_200025704644 [0,1,0,0,0,0|1,0,0]=2 1220 B14R1.436 COC(=O)c1ccc(c(c1)CO[13CH3])Br 7a_100010201863_200025704644 [0,1,0,0,0,0|1,0,0]=2 1221 B14R1.436 COC(=O)c1ccc(c(c1)CO[13CH3])N 34a_200015838792_200025704644 [0,1,0,0,0,0|1,0,0]=2 1222 B14R1.436 COC(=O)c1ccc(c(c1)CO[13CH3])N 7a_200015838792_200025704644 [0,1,0,0,0,0|1,0,0]=2 1223 B14R1.436 COC(=O)c1ccc(c(c1)CSC)Br 62a_100012232407_200000210301 [0,1,0,0,0,0|1,1,0]=3 1224 B14R1.436 COC(=O)c1ccc(c(c1)CSC)Br 62a_200000210301_100012232407 [0,1,0,0,0,0|1,1,0]=3 1225 B14R1.436 COC(=O)c1ccc(c(c1)CSC)Cl 62a_100000698984_200000210301 [0,1,0,0,0,0|1,1,0]=3 1226 B14R1.436 COC(=O)c1ccc(c(c1)CSC)Cl 62a_200000210301_100000698984 [0,1,0,0,0,0|1,1,0]=3 1227 B14R1.436 COC(=O)c1ccc(c(c1)CS[13CH3])Br 62a_100012232407_200025704644 [0,1,0,0,0,0|1,1,0]=3 1228 B14R1.436 COC(=O)c1ccc(c(c1)CS[13CH3])Br 62a_200025704644_100012232407 [0,1,0,0,0,0|1,1,0]=3 1229 B14R1.436 COC(=O)c1ccc(c(c1)CS[13CH3])Cl 62a_100000698984_200025704644 [0,1,0,0,0,0|1,1,0]=3 1230 B14R1.436 COC(=O)c1ccc(c(c1)CS[13CH3])Cl 62a_200025704644_100000698984 [0,1,0,0,0,0|1,1,0]=3 1231 B14R1.436 COC(=O)c1ccc(c(c1)OCF)Br 34a_100011934688_100015361967 [0,1,0,0,0,0|1,0,0]=2 1232 B14R1.436 COC(=O)c1ccc(c(c1)OCF)Br 7a_100011934688_100015361967 [0,1,0,0,0,0|1,0,0]=2 1233 B14R1.436 COC(=O)c1ccc(c(c1)OCF)C 34a_100000736511_100015361967 [0,1,0,0,0,0|1,0,0]=2 1234 B14R1.436 COC(=O)c1ccc(c(c1)OCF)C 7a_100000736511_100015361967 [0,1,0,0,0,0|1,0,0]=2 1235 B14R1.436 COC(=O)c1ccc(c(c1)OCF)Cl 34a_100000103815_100015361967 [0,1,0,0,0,0|1,0,0]=2 1236 B14R1.436 COC(=O)c1ccc(c(c1)OCF)Cl 7a_100000103815_100015361967 [0,1,0,0,0,0|1,0,0]=2 1237 B14R1.436 COC(=O)c1ccc(c(c1)OCF)F 34a_100000062259_100015361967 [0,1,0,0,0,0|1,0,0]=2 1238 B14R1.436 COC(=O)c1ccc(c(c1)OCF)F 7a_100000062259_100015361967 [0,1,0,0,0,0|1,0,0]=2 1239 B14R1.436 COC(=O)c1ccc(c(c1)OCF)I 34a_100012350776_100015361967 [0,1,0,0,0,0|1,0,0]=2 1240 B14R1.436 COC(=O)c1ccc(c(c1)OCF)I 7a_100012350776_100015361967 [0,1,0,0,0,0|1,0,0]=2 1241 B14R1.436 COC(=O)c1ccc(c(c1)OCF)N 34a_100000757247_100015361967 [0,1,0,0,0,0|1,0,0]=2 1242 B14R1.436 COC(=O)c1ccc(c(c1)OCF)N 7a_100000757247_100015361967 [0,1,0,0,0,0|1,0,0]=2 1243 B14R1.436 COC(=O)c1ccc(c(c1)SCF)Br 62a_100012349818_100015361967 [0,1,0,0,0,0|1,1,0]=3 1244 B14R1.436 COC(=O)c1ccc(c(c1)SCF)Br 62a_100015361967_100012349818 [0,1,0,0,0,0|1,1,0]=3 1245 B14R1.436 COC(=O)c1ccc(c(c1)SCF)C 62a_100000723194_100015361967 [0,1,0,0,0,0|1,1,0]=3 1246 B14R1.436 COC(=O)c1ccc(c(c1)SCF)C 62a_100015361967_100000723194 [0,1,0,0,0,0|1,1,0]=3 1247 B14R1.436 COC(=O)c1ccc(c(c1)SCF)Cl 62a_100011294800_100015361967 [0,1,0,0,0,0|1,1,0]=3 1248 B14R1.436 COC(=O)c1ccc(c(c1)SCF)Cl 62a_100015361967_100011294800 [0,1,0,0,0,0|1,1,0]=3 1249 B14R1.436 COC(=O)c1ccc(c(c1)SCF)F 62a_100000722584_100015361967 [0,1,0,0,0,0|1,1,0]=3 1250 B14R1.436 COC(=O)c1ccc(c(c1)SCF)F 62a_100015361967_100000722584 [0,1,0,0,0,0|1,1,0]=3 1251 B14R1.436 COC(=O)c1ccc(c(c1)SCF)N 62a_100000187552_100015361967 [0,1,0,0,0,0|1,1,0]=3 1252 B14R1.436 COC(=O)c1ccc(c(c1)SCF)N 62a_100015361967_100000187552 [0,1,0,0,0,0|1,1,0]=3 1253 B14R1.436 COC(=O)c1ccc(c(c1)SCF)O 62a_100000216328_100015361967 [0,1,0,0,0,0|0,1,0]=2 1254 B14R1.436 COC(=O)c1ccc(c(c1)SCF)O 62a_100015361967_100000216328 [0,1,0,0,0,0|0,1,0]=2 1255 B14R1.436 COC(=O)c1ccc(c(n1)SCF)C 62a_100010143800_100015361967 [0,1,0,0,0,0|2,1,0]=4 1256 B14R1.436 COC(=O)c1ccc(c(n1)SCF)C 62a_100015361967_100010143800 [0,1,0,0,0,0|2,1,0]=4 1257 B14R1.436 COC(=O)c1ccc(c(n1)SCF)F 62a_100010189626_100015361967 [0,1,0,0,0,0|2,1,0]=4 1258 B14R1.436 COC(=O)c1ccc(c(n1)SCF)F 62a_100015361967_100010189626 [0,1,0,0,0,0|2,1,0]=4 1259 B14R1.436 COC(=O)c1ccc(c(n1)SCF)O 62a_100015361967_200009815348 [0,1,0,0,0,0|1,1,0]=3 1260 B14R1.436 COC(=O)c1ccc(c(n1)SCF)O 62a_200009815348_100015361967 [0,1,0,0,0,0|1,1,0]=3 1261 B14R1.436 COC(=O)c1cnc(c(c1)OCF)Cl 34a_100009840551_100015361967 [0,1,0,0,0,0|2,0,0]=3 1262 B14R1.436 COC(=O)c1cnc(c(c1)OCF)Cl 7a_100009840551_100015361967 [0,1,0,0,0,0|2,0,0]=3 1263 B14R1.436 COC(=O)c1cnc(c(c1)OCF)I 34a_100010999399_100015361967 [0,1,0,0,0,0|2,0,0]=3 1264 B14R1.436 COC(=O)c1cnc(c(c1)OCF)I 7a_100010999399_100015361967 [0,1,0,0,0,0|2,0,0]=3 1265 B14R1.436 COC(=O)c1cnc(c(c1)OCF)N 34a_100009857207_100015361967 [0,1,0,0,0,0|2,0,0]=3 1266 B14R1.436 COC(=O)c1cnc(c(c1)OCF)N 7a_100009857207_100015361967 [0,1,0,0,0,0|2,0,0]=3 1267 B14R1.436 COC(=O)c1cnc(c(c1)SCF)Cl 62a_100010188758_100015361967 [0,1,0,0,0,0|2,1,0]=4 1268 B14R1.436 COC(=O)c1cnc(c(c1)SCF)Cl 62a_100015361967_100010188758 [0,1,0,0,0,0|2,1,0]=4 1269 B14R1.436 COC(=O)c1cnc(c(c1)SCF)F 62a_100000117919_100015361967 [0,1,0,0,0,0|2,1,0]=4 1270 B14R1.436 COC(=O)c1cnc(c(c1)SCF)F 62a_100015361967_100000117919 [0,1,0,0,0,0|2,1,0]=4 1271 B14R1.436 COC(=O)c1cnc(c(c1)SCF)N 62a_100009816800_100015361967 [0,1,0,0,0,0|2,1,0]=4 1272 B14R1.436 COC(=O)c1cnc(c(c1)SCF)N 62a_100015361967_100009816800 [0,1,0,0,0,0|2,1,0]=4 1273 B14R1.436 COC(=O)c1cnc(c(c1)SCF)O 62a_100010109663_100015361967 [0,1,0,0,0,0|1,1,0]=3 1274 B14R1.436 COC(=O)c1cnc(c(c1)SCF)O 62a_100015361967_100010109663 [0,1,0,0,0,0|1,1,0]=3 1275 B14R1.436 COC(=O)c1coc(=O)c(c1)SCF 62a_100009812866_100015361967 [0,1,0,0,0,0|1,1,1]=4 1276 B14R1.436 COC(=O)c1coc(=O)c(c1)SCF 62a_100015361967_100009812866 [0,1,0,0,0,0|1,1,1]=4 1277 B14R1.436 COCc1cc(ccc1Br)C(=O)OC 34a_100010201863_200000210301 [0,1,0,0,0,0|1,0,0]=2 1278 B14R1.436 COCc1cc(ccc1Br)C(=O)OC 34a_100138415774_100012232407 [0,1,0,0,0,0|1,0,0]=2 1279 B14R1.436 COCc1cc(ccc1Br)C(=O)OC 7a_100010201863_200000210301 [0,1,0,0,0,0|1,0,0]=2 1280 B14R1.436 COCc1cc(ccc1N)C(=O)OC 34a_200015838792_200000210301 [0,1,0,0,0,0|1,0,0]=2 1281 B14R1.436 COCc1cc(ccc1N)C(=O)OC 7a_200015838792_200000210301 [0,1,0,0,0,0|1,0,0]=2 1282 B14R1.436 COCc1cc(ccc1O)C(=O)OC 271570a_203496583355_200010890493 [0,1,0,0,0,0|0,0,0]=1 1283 B14R1.436 NNC(=O)c1ccc(c(c1)OCF)N 34a_200000073589_100015361967 [0,1,0,0,0,0|3,0,0]=4 1284 B14R1.626 C#CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000184674 [0,1,0,0,0,0|2,0,1]=4 1285 B14R1.626 C#CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000184674 [0,1,0,0,0,0|2,0,1]=4 1286 B14R1.626 C#CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000184674 [0,1,0,0,0,0|2,0,1]=4 1287 B14R1.626 C#CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000184674 [0,1,0,0,0,0|2,0,1]=4 1288 B14R1.626 C#CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000184674 [0,1,0,0,0,0|2,0,1]=4 1289 B14R1.626 C#CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000184674 [0,1,0,0,0,0|1,0,1]=3 1290 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210623 [0,1,0,0,0,0|2,0,1]=4 1291 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210623 [0,1,0,0,0,0|2,0,1]=4 1292 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210623 [0,1,0,0,0,0|2,0,1]=4 1293 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210623 [0,1,0,0,0,0|2,0,1]=4 1294 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210623 [0,1,0,0,0,0|2,0,1]=4 1295 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210623 [0,1,0,0,0,0|1,0,1]=3 1296 B14R1.626 C=Cc1cc(ccc1C)C(=O)OCC 271570a_100011290941_100012359631 [0,1,0,0,0,0|2,0,1]=4 1297 B14R1.626 C=Cc1cc(ccc1F)C(=O)OCC 271570a_100011290941_100011934563 [0,1,0,0,0,0|2,0,1]=4 1298 B14R1.626 C=Cc1cc(ccc1N)C(=O)OCC 271570a_100011290941_100161115259 [0,1,0,0,0,0|2,0,1]=4 1299 B14R1.626 C=Cc1cc(ccc1O)C(=O)OCC 271570a_100011290941_100009812659 [0,1,0,0,0,0|1,0,1]=3 1300 B14R1.626 C=Cc1cc(cnc1O)C(=O)OCC 271570a_100011290941_100010004467 [0,1,0,0,0,0|2,0,1]=4 1301 B14R1.626 CCCC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_100000210303 [0,1,0,0,0,0|3,0,0]=4 1302 B14R1.626 CCCC(=O)c1ccc(c(c1)CC)Br 1458a_100010152358_100000210303 [0,1,0,0,0,0|3,0,0]=4 1303 B14R1.626 CCCC(=O)c1ccc(c(c1)CC)Cl 1458a_100000102533_100000210303 [0,1,0,0,0,0|3,0,0]=4 1304 B14R1.626 CCCC(=O)c1ccc(c(c1)CC)F 1458a_100009883079_100000210303 [0,1,0,0,0,0|3,0,0]=4 1305 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210303 [0,1,0,0,0,0|2,0,0]=3 1306 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210303 [0,1,0,0,0,0|2,0,0]=3 1307 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210303 [0,1,0,0,0,0|2,0,0]=3 1308 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210303 [0,1,0,0,0,0|2,0,0]=3 1309 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210303 [0,1,0,0,0,0|2,0,0]=3 1310 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210303 [0,1,0,0,0,0|1,0,0]=2 1311 B14R1.626 CCNC(=O)c1ccc(c(c1)CC)Br 11a_100015525214_100010152358 [0,1,0,0,0,0|3,0,0]=4 1312 B14R1.626 CCNC(=O)c1ccc(c(c1)CC)Br 240690a_100015525214_100010152358 [0,1,0,0,0,0|3,0,0]=4 1313 B14R1.626 CCNC(=O)c1ccc(c(c1)CC)Br 527a_100015525214_100010152358 [0,1,0,0,0,0|3,0,0]=4 1314 B14R1.626 CCNC(=O)c1ccc(c(c1)CC)Cl 11a_100015525214_100000102533 [0,1,0,0,0,0|3,0,0]=4 1315 B14R1.626 CCNC(=O)c1ccc(c(c1)CC)Cl 240690a_100015525214_100000102533 [0,1,0,0,0,0|3,0,0]=4 1316 B14R1.626 CCNC(=O)c1ccc(c(c1)CC)Cl 527a_100015525214_100000102533 [0,1,0,0,0,0|3,0,0]=4 1317 B14R1.626 CCNC(=O)c1ccc(c(c1)CC)F 11a_100015525214_100009883079 [0,1,0,0,0,0|3,0,0]=4 1318 B14R1.626 CCNC(=O)c1ccc(c(c1)CC)F 240690a_100015525214_100009883079 [0,1,0,0,0,0|3,0,0]=4 1319 B14R1.626 CCNC(=O)c1ccc(c(c1)CC)F 527a_100015525214_100009883079 [0,1,0,0,0,0|3,0,0]=4 1320 B14R1.626 CCNC(=O)c1ccc(c(c1)NC)C 34a_100000740560_200000210301 [0,1,0,0,0,0|3,0,0]=4 1321 B14R1.626 CCNC(=O)c1ccc(c(c1)NC)C 7a_100000740560_200000210301 [0,1,0,0,0,0|3,0,0]=4 1322 B14R1.626 CCNC(=O)c1ccc(c(c1)NC)F 27a_100102657272_200012359900 [0,1,0,0,0,0|3,0,0]=4 1323 B14R1.626 CCNC(=O)c1ccc(c(c1)N[13CH3])C 34a_100000740560_200025704644 [0,1,0,0,0,0|3,0,0]=4 1324 B14R1.626 CCNC(=O)c1ccc(c(c1)N[13CH3])C 7a_100000740560_200025704644 [0,1,0,0,0,0|3,0,0]=4 1325 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Br 11a_100015525214_100011934951 [0,1,0,0,0,0|2,0,0]=3 1326 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Br 240690a_100015525214_100011934951 [0,1,0,0,0,0|2,0,0]=3 1327 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Br 527a_100015525214_100011934951 [0,1,0,0,0,0|2,0,0]=3 1328 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)C 11a_100015525214_100000212341 [0,1,0,0,0,0|2,0,0]=3 1329 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)C 240690a_100015525214_100000212341 [0,1,0,0,0,0|2,0,0]=3 1330 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)C 527a_100015525214_100000212341 [0,1,0,0,0,0|2,0,0]=3 1331 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Cl 11a_100015525214_100000181799 [0,1,0,0,0,0|2,0,0]=3 1332 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Cl 240690a_100015525214_100000181799 [0,1,0,0,0,0|2,0,0]=3 1333 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Cl 527a_100015525214_100000181799 [0,1,0,0,0,0|2,0,0]=3 1334 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)F 11a_100015525214_100000757635 [0,1,0,0,0,0|2,0,0]=3 1335 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)F 240690a_100015525214_100000757635 [0,1,0,0,0,0|2,0,0]=3 1336 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)F 527a_100015525214_100000757635 [0,1,0,0,0,0|2,0,0]=3 1337 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)I 11a_100015525214_100012356290 [0,1,0,0,0,0|2,0,0]=3 1338 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)I 240690a_100015525214_100012356290 [0,1,0,0,0,0|2,0,0]=3 1339 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)I 527a_100015525214_100012356290 [0,1,0,0,0,0|2,0,0]=3 1340 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)O 240690a_100015525214_100000687070 [0,1,0,0,0,0|1,0,0]=2 1341 B14R1.626 CCNC(=O)c1ccc(c(c1)SC)F 62a_200000210301_200012359900 [0,1,0,0,0,0|2,1,0]=4 1342 B14R1.626 CCNC(=O)c1ccc(c(c1)SC)F 62a_200012359900_200000210301 [0,1,0,0,0,0|2,1,0]=4 1343 B14R1.626 CCNC(=O)c1ccc(c(c1)S[13CH3])F 62a_200012359900_200025704644 [0,1,0,0,0,0|2,1,0]=4 1344 B14R1.626 CCNC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_200012359900 [0,1,0,0,0,0|2,1,0]=4 1345 B14R1.626 CCOC(=O)c1cc(c(cn1)C)SC 62a_100009880029_200000210301 [0,1,0,0,0,0|2,1,0]=4 1346 B14R1.626 CCOC(=O)c1cc(c(cn1)C)SC 62a_200000210301_100009880029 [0,1,0,0,0,0|2,1,0]=4 1347 B14R1.626 CCOC(=O)c1cc(c(cn1)C)S[13CH3] 62a_100009880029_200025704644 [0,1,0,0,0,0|2,1,0]=4 1348 B14R1.626 CCOC(=O)c1cc(c(cn1)C)S[13CH3] 62a_200025704644_100009880029 [0,1,0,0,0,0|2,1,0]=4 1349 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)Br 7a_100012355281_200000210301 [0,1,0,0,0,0|1,0,0]=2 1350 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)F 34a_200009842343_200000210301 [0,1,0,0,0,0|1,0,0]=2 1351 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)F 7a_200009842343_200000210301 [0,1,0,0,0,0|1,0,0]=2 1352 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)N 7a_100000756704_200000210301 [0,1,0,0,0,0|1,0,0]=2 1353 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100010189661 [0,1,0,0,0,0|0,0,0]=1 1354 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])Br 7a_100012355281_200025704644 [0,1,0,0,0,0|1,0,0]=2 1355 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])F 34a_200009842343_200025704644 [0,1,0,0,0,0|1,0,0]=2 1356 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])F 7a_200009842343_200025704644 [0,1,0,0,0,0|1,0,0]=2 1357 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])N 7a_100000756704_200025704644 [0,1,0,0,0,0|1,0,0]=2 1358 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)C 62a_100012359631_200000210301 [0,1,0,0,0,0|1,1,0]=3 1359 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)C 62a_200000210301_100012359631 [0,1,0,0,0,0|1,1,0]=3 1360 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)F 62a_100011934563_200000210301 [0,1,0,0,0,0|1,1,0]=3 1361 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)F 62a_200000210301_100011934563 [0,1,0,0,0,0|1,1,0]=3 1362 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)N 62a_100161115259_200000210301 [0,1,0,0,0,0|1,1,0]=3 1363 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)N 62a_200000210301_100161115259 [0,1,0,0,0,0|1,1,0]=3 1364 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)O 62a_200000210301_100009812659 [0,1,0,0,0,0|0,1,0]=2 1365 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])C 62a_100012359631_200025704644 [0,1,0,0,0,0|1,1,0]=3 1366 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100012359631 [0,1,0,0,0,0|1,1,0]=3 1367 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])F 62a_100011934563_200025704644 [0,1,0,0,0,0|1,1,0]=3 1368 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100011934563 [0,1,0,0,0,0|1,1,0]=3 1369 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])N 62a_100161115259_200025704644 [0,1,0,0,0,0|1,1,0]=3 1370 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])N 62a_200025704644_100161115259 [0,1,0,0,0,0|1,1,0]=3 1371 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])O 62a_200025704644_100009812659 [0,1,0,0,0,0|0,1,0]=2 1372 B14R1.626 CCOC(=O)c1ccc(c(n1)NC)C 27a_100102657272_200009853511 [0,1,0,0,0,0|3,0,0]=4 1373 B14R1.626 CCOC(=O)c1ccc(c(n1)SC)C 62a_200000210301_200009853511 [0,1,0,0,0,0|2,1,0]=4 1374 B14R1.626 CCOC(=O)c1ccc(c(n1)S[13CH3])C 62a_200025704644_200009853511 [0,1,0,0,0,0|2,1,0]=4 1375 B14R1.626 CCOC(=O)c1cnc(c(c1)NC)N 27a_100102657272_100009816805 [0,1,0,0,0,0|3,0,0]=4 1376 B14R1.626 CCOC(=O)c1cnc(c(c1)OC)I 7a_100010179890_200000210301 [0,1,0,0,0,0|2,0,0]=3 1377 B14R1.626 CCOC(=O)c1cnc(c(c1)O[13CH3])I 7a_100010179890_200025704644 [0,1,0,0,0,0|2,0,0]=3 1378 B14R1.626 CCOC(=O)c1cnc(c(c1)SC)N 62a_100009816805_200000210301 [0,1,0,0,0,0|2,1,0]=4 1379 B14R1.626 CCOC(=O)c1cnc(c(c1)SC)N 62a_200000210301_100009816805 [0,1,0,0,0,0|2,1,0]=4 1380 B14R1.626 CCOC(=O)c1cnc(c(c1)SC)O 62a_200000210301_100010004467 [0,1,0,0,0,0|1,1,0]=3 1381 B14R1.626 CCOC(=O)c1cnc(c(c1)S[13CH3])N 62a_100009816805_200025704644 [0,1,0,0,0,0|2,1,0]=4 1382 B14R1.626 CCOC(=O)c1cnc(c(c1)S[13CH3])N 62a_200025704644_100009816805 [0,1,0,0,0,0|2,1,0]=4 1383 B14R1.626 CCOC(=O)c1cnc(c(c1)S[13CH3])O 62a_200025704644_100010004467 [0,1,0,0,0,0|1,1,0]=3 1384 B14R1.626 CCc1cc(ccc1Br)C(=O)CCF 1458a_100010152358_100011217306 [0,1,0,0,0,0|3,0,0]=4 1385 B14R1.626 CCc1cc(ccc1Br)C(=O)CCO 1458a_100010152358_100000211926 [0,1,0,0,0,0|3,0,0]=4 1386 B14R1.626 CCc1cc(ccc1Br)C(=O)NNC 22a_100016993582_100010152358 [0,1,0,0,0,0|3,0,0]=4 1387 B14R1.626 CCc1cc(ccc1Cl)C(=O)CCF 1458a_100000102533_100011217306 [0,1,0,0,0,0|3,0,0]=4 1388 B14R1.626 CCc1cc(ccc1Cl)C(=O)CCO 1458a_100000102533_100000211926 [0,1,0,0,0,0|3,0,0]=4 1389 B14R1.626 CCc1cc(ccc1Cl)C(=O)NNC 22a_100016993582_100000102533 [0,1,0,0,0,0|3,0,0]=4 1390 B14R1.626 CCc1cc(ccc1F)C(=O)CCF 1458a_100009883079_100011217306 [0,1,0,0,0,0|3,0,0]=4 1391 B14R1.626 CCc1cc(ccc1F)C(=O)CCO 1458a_100009883079_100000211926 [0,1,0,0,0,0|3,0,0]=4 1392 B14R1.626 CCc1cc(ccc1F)C(=O)NNC 22a_100016993582_100009883079 [0,1,0,0,0,0|3,0,0]=4 1393 B14R1.626 CNCC(=O)c1ccc(c(c1)CO)O 34a_100102657272_100010262812 [0,1,0,0,0,0|3,0,0]=4 1394 B14R1.626 CNCC(=O)c1ccc(c(c1)CO)O 7a_106832991635_100010262812 [0,1,0,0,0,0|3,0,0]=4 1395 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)Br 2230a_106832991635_200010710740 [0,1,0,0,0,0|2,0,0]=3 1396 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)Br 34a_100102657272_200010710740 [0,1,0,0,0,0|2,0,0]=3 1397 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)F 2230a_106832991635_200012348595 [0,1,0,0,0,0|2,0,0]=3 1398 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)F 34a_100102657272_200012348595 [0,1,0,0,0,0|2,0,0]=3 1399 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)F 7a_106832991635_200012348595 [0,1,0,0,0,0|2,0,0]=3 1400 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)O 7a_106832991635_100010206313 [0,1,0,0,0,0|1,0,0]=2 1401 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)Br 22a_100016993582_100011934951 [0,1,0,0,0,0|2,0,0]=3 1402 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)C 22a_100016993582_100000212341 [0,1,0,0,0,0|2,0,0]=3 1403 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)Cl 22a_100016993582_100000181799 [0,1,0,0,0,0|2,0,0]=3 1404 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)F 22a_100016993582_100000757635 [0,1,0,0,0,0|2,0,0]=3 1405 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)I 22a_100016993582_100012356290 [0,1,0,0,0,0|2,0,0]=3 1406 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)O 22a_100016993582_100000687070 [0,1,0,0,0,0|1,0,0]=2 1407 B14R1.626 COCC(=O)c1ccc(c(c1)CO)O 34a_100138415774_100010262812 [0,1,0,0,0,0|2,0,0]=3 1408 B14R1.626 COCC(=O)c1ccc(c(c1)OC)Br 34a_100138415774_200010710740 [0,1,0,0,0,0|1,0,0]=2 1409 B14R1.626 COCC(=O)c1ccc(c(c1)OC)F 34a_100138415774_200012348595 [0,1,0,0,0,0|1,0,0]=2 1410 B14R1.626 COCN(C)c1ccc(c(c1)OC)F 2230a_200012002703_100000766300 [0,1,0,0,0,0|3,0,0]=4 1411 B14R1.626 COCN(C)c1ccc(c(c1)OC)F 269982a_200012002703_100000766300 [0,1,0,0,0,0|3,0,0]=4 1412 B14R1.626 COC[C@@H](N)c1ccc(c(c1)OC)F 34a_100138412295_200000210301 [0,1,0,0,0,0|2,0,1]=4 1413 B14R1.626 COc1cc(ccc1Br)C(=O)CC#N 1458a_100011934951_100011214920 [0,1,0,0,0,0|2,0,1]=4 1414 B14R1.626 COc1cc(ccc1Br)C(=O)CCF 1458a_100011934951_100011217306 [0,1,0,0,0,0|2,0,0]=3 1415 B14R1.626 COc1cc(ccc1Br)C(=O)CCO 1458a_100011934951_100000211926 [0,1,0,0,0,0|2,0,0]=3 1416 B14R1.626 COc1cc(ccc1Br)C(=O)CSC 62a_200010710740_200000210301 [0,1,0,0,0,0|1,1,0]=3 1417 B14R1.626 COc1cc(ccc1Br)C(=O)CS[13CH3] 62a_200010710740_200025704644 [0,1,0,0,0,0|1,1,0]=3 1418 B14R1.626 COc1cc(ccc1C)C(=O)CC#N 1458a_100000212341_100011214920 [0,1,0,0,0,0|2,0,1]=4 1419 B14R1.626 COc1cc(ccc1C)C(=O)CCF 1458a_100000212341_100011217306 [0,1,0,0,0,0|2,0,0]=3 1420 B14R1.626 COc1cc(ccc1C)C(=O)CCO 1458a_100000212341_100000211926 [0,1,0,0,0,0|2,0,0]=3 1421 B14R1.626 COc1cc(ccc1Cl)C(=O)CC#N 1458a_100000181799_100011214920 [0,1,0,0,0,0|2,0,1]=4 1422 B14R1.626 COc1cc(ccc1Cl)C(=O)CCF 1458a_100000181799_100011217306 [0,1,0,0,0,0|2,0,0]=3 1423 B14R1.626 COc1cc(ccc1Cl)C(=O)CCO 1458a_100000181799_100000211926 [0,1,0,0,0,0|2,0,0]=3 1424 B14R1.626 COc1cc(ccc1F)C(=O)CC#N 1458a_100000757635_100011214920 [0,1,0,0,0,0|2,0,1]=4 1425 B14R1.626 COc1cc(ccc1F)C(=O)CCF 1458a_100000757635_100011217306 [0,1,0,0,0,0|2,0,0]=3 1426 B14R1.626 COc1cc(ccc1F)C(=O)CCO 1458a_100000757635_100000211926 [0,1,0,0,0,0|2,0,0]=3 1427 B14R1.626 COc1cc(ccc1F)C(=O)CSC 62a_200000210301_200012348595 [0,1,0,0,0,0|1,1,0]=3 1428 B14R1.626 COc1cc(ccc1F)C(=O)CSC 62a_200012348595_200000210301 [0,1,0,0,0,0|1,1,0]=3 1429 B14R1.626 COc1cc(ccc1F)C(=O)CS[13CH3] 62a_200012348595_200025704644 [0,1,0,0,0,0|1,1,0]=3 1430 B14R1.626 COc1cc(ccc1F)C(=O)CS[13CH3] 62a_200025704644_200012348595 [0,1,0,0,0,0|1,1,0]=3 1431 B14R1.626 COc1cc(ccc1F)[C@H](N)CO[13CH3] 34a_100138412295_200025704644 [0,1,0,0,0,0|2,0,1]=4 1432 B14R1.626 COc1cc(ccc1I)C(=O)CC#N 1458a_100012356290_100011214920 [0,1,0,0,0,0|2,0,1]=4 1433 B14R1.626 COc1cc(ccc1I)C(=O)CCF 1458a_100012356290_100011217306 [0,1,0,0,0,0|2,0,0]=3 1434 B14R1.626 COc1cc(ccc1I)C(=O)CCO 1458a_100012356290_100000211926 [0,1,0,0,0,0|2,0,0]=3 1435 B14R1.626 COc1cc(ccc1O)C(=O)CC#N 1458a_100000687070_100011214920 [0,1,0,0,0,0|1,0,1]=3 1436 B14R1.626 COc1cc(ccc1O)C(=O)CCF 1458a_100000687070_100011217306 [0,1,0,0,0,0|1,0,0]=2 1437 B14R1.626 COc1cc(ccc1O)C(=O)CCO 1458a_100000687070_100000211926 [0,1,0,0,0,0|1,0,0]=2 1438 B14R1.626 COc1cc(ccc1O)C(=O)CSC 62a_100010206313_200000210301 [0,1,0,0,0,0|0,1,0]=2 1439 B14R1.626 COc1cc(ccc1O)C(=O)CS[13CH3] 62a_100010206313_200025704644 [0,1,0,0,0,0|0,1,0]=2 1440 B14R1.626 CSCC(=O)c1ccc(c(c1)C=O)O 62a_100010209431_200000210301 [0,1,0,0,0,0|2,1,0]=4 1441 B14R1.626 CSCC(=O)c1ccc(c(c1)CO)O 62a_100010262812_200000210301 [0,1,0,0,0,0|2,1,0]=4 1442 B14R1.626 CSCC(=O)c1ccc(c(c1)CO)O 62a_200000210301_100010262812 [0,1,0,0,0,0|2,1,0]=4 1443 B14R1.626 N#Cc1cc(ccc1O)C(=O)CCF 1458a_100009875055_100011217306 [0,1,0,0,0,0|3,0,0]=4 1444 B14R1.626 N#Cc1cc(ccc1O)C(=O)CCO 1458a_100009875055_100000211926 [0,1,0,0,0,0|3,0,0]=4 1445 B14R1.626 [13CH3]SCC(=O)c1ccc(c(c1)C=O)O 62a_100010209431_200025704644 [0,1,0,0,0,0|2,1,0]=4 1446 B14R1.626 [13CH3]SCC(=O)c1ccc(c(c1)CO)O 62a_100010262812_200025704644 [0,1,0,0,0,0|2,1,0]=4 1447 B14R1.626 [13CH3]SCC(=O)c1ccc(c(c1)CO)O 62a_200025704644_100010262812 [0,1,0,0,0,0|2,1,0]=4 1448 B14R1.748 C=C(C)c1cc(ccc1Br)C(=O)OC 271570a_100000694244_100012349818 [0,1,0,0,0,0|2,0,0]=3 1449 B14R1.748 C=C(C)c1cc(ccc1C)C(=O)OC 271570a_100000694244_100011218856 [0,1,0,0,0,0|2,0,0]=3 1450 B14R1.748 C=C(C)c1cc(ccc1Cl)C(=O)OC 271570a_100000694244_100011294800 [0,1,0,0,0,0|2,0,0]=3 1451 B14R1.748 C=C(C)c1cc(ccc1F)C(=O)CC 271570a_100000694244_100011216493 [0,1,0,0,0,0|3,0,0]=4 1452 B14R1.748 C=C(C)c1cc(ccc1F)C(=O)NC 271570a_100000694244_200012359898 [0,1,0,0,0,0|3,0,0]=4 1453 B14R1.748 C=C(C)c1cc(ccc1F)C(=O)OC 271570a_100000694244_100000722584 [0,1,0,0,0,0|2,0,0]=3 1454 B14R1.748 C=C(C)c1cc(ccc1N)C(=O)OC 271570a_100000694244_100000187552 [0,1,0,0,0,0|2,0,0]=3 1455 B14R1.748 C=C(C)c1cc(ccc1O)C(=O)OC 271570a_100000694244_100000216328 [0,1,0,0,0,0|1,0,0]=2 1456 B14R1.748 C=C(C)c1cc(cnc1Cl)C(=O)OC 271570a_100000694244_100010188758 [0,1,0,0,0,0|3,0,0]=4 1457 B14R1.748 C=C(C)c1cc(cnc1F)C(=O)OC 271570a_100000694244_100000117919 [0,1,0,0,0,0|3,0,0]=4 1458 B14R1.748 C=C(C)c1cc(cnc1N)C(=O)OC 271570a_100000694244_100009816800 [0,1,0,0,0,0|3,0,0]=4 1459 B14R1.748 C=C(C)c1cc(cnc1O)C(=O)OC 271570a_100000694244_100010109663 [0,1,0,0,0,0|2,0,0]=3 1460 B14R1.748 C=C(C)c1cc(coc1=O)C(=O)OC 271570a_100000694244_100009812866 [0,1,0,0,0,0|2,0,1]=4 1461 B14R1.748 C=C(C)c1cc(ncc1C)C(=O)OC 271570a_100000694244_100000065005 [0,1,0,0,0,0|3,0,0]=4 1462 B14R1.748 C=C(C)c1nc(ccc1C)C(=O)OC 271570a_100000694244_100010143800 [0,1,0,0,0,0|3,0,0]=4 1463 B14R1.748 C=C(C)c1nc(ccc1F)C(=O)OC 271570a_100000694244_100010189626 [0,1,0,0,0,0|3,0,0]=4 1464 B14R1.748 C=C(C)c1nc(ccc1O)C(=O)OC 271570a_100000694244_200009815348 [0,1,0,0,0,0|2,0,0]=3 1465 B14R1.748 CCC(=O)c1ccc(c(c1)C(C)C)Br 1458a_100010202910_100000210202 [0,1,0,0,0,0|3,0,0]=4 1466 B14R1.748 CCC(=O)c1ccc(c(c1)[N+](=O)[O-])O 1458a_100000744589_100000210202 [0,1,0,0,0,0|3,0,0]=4 1467 B14R1.748 CNC(=O)c1ccc(c(c1)C(C)C)Br 11a_106832991635_100010202910 [0,1,0,0,0,0|3,0,0]=4 1468 B14R1.748 CNC(=O)c1ccc(c(c1)C(C)C)Br 1626a_100102657272_100010202910 [0,1,0,0,0,0|3,0,0]=4 1469 B14R1.748 CNC(=O)c1ccc(c(c1)C(C)C)Br 240690a_100102657272_100010202910 [0,1,0,0,0,0|3,0,0]=4 1470 B14R1.748 CNC(=O)c1ccc(c(c1)C(C)C)Br 527a_100102657272_100010202910 [0,1,0,0,0,0|3,0,0]=4 1471 B14R1.748 CNC(=O)c1ccc(c(c1)N(C)C)F 27a_100102631434_200012359898 [0,1,0,0,0,0|3,0,0]=4 1472 B14R1.748 CNC(=O)c1ccc(c(c1)[N+](=O)[O-])O 1626a_100102657272_100000744589 [0,1,0,0,0,0|3,0,0]=4 1473 B14R1.748 CNC(=O)c1ccc(c(c1)[N+](=O)[O-])O 240690a_100102657272_100000744589 [0,1,0,0,0,0|3,0,0]=4 1474 B14R1.748 CNC(=O)c1ccc(c(c1)[N+](=O)[O-])O 527a_100102657272_100000744589 [0,1,0,0,0,0|3,0,0]=4 1475 B14R1.748 COC(=O)c1ccc(c(c1)B(O)O)O 271570a_203496583355_200000069430 [0,1,0,0,0,0|2,0,0]=3 1476 B14R1.748 COC(=O)c1ccc(c(c1)C(=O)C)Br 1458a_100010710364_200000210301 [0,1,0,0,0,0|2,0,0]=3 1477 B14R1.748 COC(=O)c1ccc(c(c1)C(=O)C)Cl 1458a_200000732520_200000210301 [0,1,0,0,0,0|2,0,0]=3 1478 B14R1.748 COC(=O)c1ccc(c(c1)C(=O)C)O 271570a_203496583355_200016005208 [0,1,0,0,0,0|1,0,0]=2 1479 B14R1.748 COC(=O)c1ccc(c(c1)C(=O)[13CH3])Br 1458a_100010710364_200025704644 [0,1,0,0,0,0|2,0,0]=3 1480 B14R1.748 COC(=O)c1ccc(c(c1)C(=O)[13CH3])Cl 1458a_200000732520_200025704644 [0,1,0,0,0,0|2,0,0]=3 1481 B14R1.748 COC(=O)c1ccc(c(c1)C(C)C)O 271570a_203496583355_200025703530 [0,1,0,0,0,0|1,0,0]=2 1482 B14R1.748 COC(=O)c1cnc(c(c1)N(C)C)F 27a_100102631434_100000117919 [0,1,0,0,0,0|3,0,0]=4 1483 B14R1.1864 C=Cc1cc(ccc1C#N)C(=O)OC 271570a_100011290941_100009861381 [0,1,0,0,0,0|2,0,1]=4 1484 B14R1.1864 C=Cc1cc(ccc1C=O)C(=O)OC 271570a_100011290941_100012179231 [0,1,0,0,0,0|1,0,2]=4 1485 B14R1.1864 C=Cc1cc(ccc1CC)C(=O)OC 271570a_100011290941_200012360130 [0,1,0,0,0,0|2,0,1]=4 1486 B14R1.1864 C=Cc1cc(ccc1CO)C(=O)OC 271570a_100011290941_100012355398 [0,1,0,0,0,0|1,0,1]=3 1487 B14R1.1864 C=Cc1cc(ccc1OC)C(=O)OC 271570a_100011290941_100000189012 [0,1,0,0,0,0|1,0,1]=3 1488 B14R1.1864 C=Cc1cc(cnc1OC)C(=O)OC 271570a_100011290941_100010189640 [0,1,0,0,0,0|2,0,1]=4 1489 B14R1.1864 C=Cc1cc(ncc1OC)C(=O)OC 271570a_100011290941_200010136175 [0,1,0,0,0,0|2,0,1]=4 1490 B14R1.1864 C=Cc1ccc(cc1C#N)C(=O)OC 271570a_100011290941_100010150795 [0,1,0,0,0,0|3,0,0]=4 1491 B14R1.1864 C=Cc1ccc(cc1C=O)C(=O)OC 271570a_100011290941_100012274322 [0,1,0,0,0,0|3,0,0]=4 1492 B14R1.1864 C=Cc1ccc(cc1CO)C(=O)OC 271570a_100011290941_100010201863 [0,1,0,0,0,0|3,0,0]=4 1493 B14R1.1864 C=Cc1ccc(cc1OC)C(=O)OC 271570a_100011290941_100009816954 [0,1,0,0,0,0|1,0,0]=2 1494 B14R1.1864 C=Cc1ccc(nc1OC)C(=O)OC 271570a_100011290941_100010189641 [0,1,0,0,0,0|2,0,0]=3 1495 B14R1.1864 C=Cc1cnc(cc1OC)C(=O)OC 271570a_100011290941_100010136178 [0,1,0,0,0,0|2,0,0]=3 1496 B14R1.1864 C=Cc1nc(ccc1OC)C(=O)OC 271570a_100011290941_100010205418 [0,1,0,0,0,0|2,0,1]=4 1497 B14R1.1864 C=Cc1ncc(cc1OC)C(=O)OC 271570a_100011290941_100010074909 [0,1,0,0,0,0|2,0,0]=3 1498 B14R1.1864 CCC(=O)c1ccc(c(c1)C#N)OC 1458a_100011999887_100000210202 [0,1,0,0,0,0|3,0,0]=4 1499 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)C#N 1458a_100009879710_100000210202 [0,1,0,0,0,0|2,0,0]=3 1500 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000210202 [0,1,0,0,0,0|1,0,0]=2 1501 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 34a_100000012293_200000210301 [0,1,0,0,0,0|1,0,0]=2 1502 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 7a_100000012293_200000210301 [0,1,0,0,0,0|1,0,0]=2 1503 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_100000012293_200025704644 [0,1,0,0,0,0|1,0,0]=2 1504 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000012293_200025704644 [0,1,0,0,0,0|1,0,0]=2 1505 B14R1.1864 CCC(O)c1ccc(c(c1)OC)OC 34a_200000015950_200000210301 [0,1,0,0,0,0|1,0,2]=4 1506 B14R1.1864 CCC(O)c1ccc(c(c1)OC)OC 7a_200000015950_200000210301 [0,1,0,0,0,0|1,0,2]=4 1507 B14R1.1864 CCC(O)c1ccc(c(c1)OC)O[13CH3] 34a_200000015950_200025704644 [0,1,0,0,0,0|1,0,2]=4 1508 B14R1.1864 CCC(O)c1ccc(c(c1)OC)O[13CH3] 7a_200000015950_200025704644 [0,1,0,0,0,0|1,0,2]=4 1509 B14R1.1864 CCN(C)c1ccc(c(c1)OC)OC 2230a_100000221037_200000210301 [0,1,0,0,0,0|3,0,0]=4 1510 B14R1.1864 CCN(C)c1ccc(c(c1)OC)OC 269982a_100000221037_200000210301 [0,1,0,0,0,0|3,0,0]=4 1511 B14R1.1864 CCN(C)c1ccc(c(c1)OC)OC 34a_100000221037_200000210301 [0,1,0,0,0,0|3,0,0]=4 1512 B14R1.1864 CCN([13CH3])c1ccc(c(c1)OC)OC 2230a_100000221037_200025704644 [0,1,0,0,0,0|3,0,0]=4 1513 B14R1.1864 CCN([13CH3])c1ccc(c(c1)OC)OC 269982a_100000221037_200025704644 [0,1,0,0,0,0|3,0,0]=4 1514 B14R1.1864 CCN([13CH3])c1ccc(c(c1)OC)OC 34a_100000221037_200025704644 [0,1,0,0,0,0|3,0,0]=4 1515 B14R1.1864 CCc1ccc(cc1SC)C(=O)OC 62a_200000210301_200012360130 [0,1,0,0,0,0|1,1,0]=3 1516 B14R1.1864 CCc1ccc(cc1SC)C(=O)OC 62a_200012360130_200000210301 [0,1,0,0,0,0|1,1,0]=3 1517 B14R1.1864 CCc1ccc(cc1S[13CH3])C(=O)OC 62a_200012360130_200025704644 [0,1,0,0,0,0|1,1,0]=3 1518 B14R1.1864 CCc1ccc(cc1S[13CH3])C(=O)OC 62a_200025704644_200012360130 [0,1,0,0,0,0|1,1,0]=3 1519 B14R1.1864 CNC(=O)c1ccc(c(c1)C#N)OC 11a_106832991635_100011999887 [0,1,0,0,0,0|3,0,0]=4 1520 B14R1.1864 CNC(=O)c1ccc(c(c1)C#N)OC 1626a_100102657272_100011999887 [0,1,0,0,0,0|3,0,0]=4 1521 B14R1.1864 CNC(=O)c1ccc(c(c1)C#N)OC 240690a_100102657272_100011999887 [0,1,0,0,0,0|3,0,0]=4 1522 B14R1.1864 CNC(=O)c1ccc(c(c1)C#N)OC 527a_100102657272_100011999887 [0,1,0,0,0,0|3,0,0]=4 1523 B14R1.1864 CNC(=O)c1ccc(c(c1)NC)OC 2230a_100000740754_200000210301 [0,1,0,0,0,0|2,0,0]=3 1524 B14R1.1864 CNC(=O)c1ccc(c(c1)NC)OC 34a_100000740754_200000210301 [0,1,0,0,0,0|2,0,0]=3 1525 B14R1.1864 CNC(=O)c1ccc(c(c1)N[13CH3])OC 2230a_100000740754_200025704644 [0,1,0,0,0,0|2,0,0]=3 1526 B14R1.1864 CNC(=O)c1ccc(c(c1)N[13CH3])OC 34a_100000740754_200025704644 [0,1,0,0,0,0|2,0,0]=3 1527 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 11a_106832991635_100009879710 [0,1,0,0,0,0|2,0,0]=3 1528 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 1626a_100102657272_100009879710 [0,1,0,0,0,0|2,0,0]=3 1529 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 240690a_100102657272_100009879710 [0,1,0,0,0,0|2,0,0]=3 1530 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 527a_100102657272_100009879710 [0,1,0,0,0,0|2,0,0]=3 1531 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)NC 2230a_100011850465_200000210301 [0,1,0,0,0,0|2,0,0]=3 1532 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)NC 34a_100011850465_200000210301 [0,1,0,0,0,0|2,0,0]=3 1533 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)N[13CH3] 2230a_100011850465_200025704644 [0,1,0,0,0,0|2,0,0]=3 1534 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)N[13CH3] 34a_100011850465_200025704644 [0,1,0,0,0,0|2,0,0]=3 1535 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 11a_106832991635_100000211223 [0,1,0,0,0,0|1,0,0]=2 1536 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 1626a_100102657272_100000211223 [0,1,0,0,0,0|1,0,0]=2 1537 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 240690a_100102657272_100000211223 [0,1,0,0,0,0|1,0,0]=2 1538 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 527a_100102657272_100000211223 [0,1,0,0,0,0|1,0,0]=2 1539 B14R1.1864 CNC(C)c1ccc(c(c1)OC)OC 269862a_106832991636_100000171757 [0,1,0,0,0,0|2,0,1]=4 1540 B14R1.1864 CN[C@H](C)c1ccc(c(c1)OC)OC 2230a_100025717294_200000210301 [0,1,0,0,0,0|2,0,1]=4 1541 B14R1.1864 CNc1ccc(cc1C#N)C(=O)OC 27a_100102657272_100010150795 [0,1,0,0,0,0|3,0,0]=4 1542 B14R1.1864 CNc1ncc(cc1OC)C(=O)OC 27a_100102657272_100010074909 [0,1,0,0,0,0|2,0,0]=3 1543 B14R1.1864 COC(=O)c1cc(c(cn1)OC)SC 62a_200000210301_200010136175 [0,1,0,0,0,0|1,1,0]=3 1544 B14R1.1864 COC(=O)c1cc(c(cn1)OC)SC 62a_200010136175_200000210301 [0,1,0,0,0,0|1,1,0]=3 1545 B14R1.1864 COC(=O)c1cc(c(cn1)OC)S[13CH3] 62a_200010136175_200025704644 [0,1,0,0,0,0|1,1,0]=3 1546 B14R1.1864 COC(=O)c1cc(c(cn1)OC)S[13CH3] 62a_200025704644_200010136175 [0,1,0,0,0,0|1,1,0]=3 1547 B14R1.1864 COC(=O)c1cc(c(cn1)SC)OC 62a_100010136178_200000210301 [0,1,0,0,0,0|1,1,0]=3 1548 B14R1.1864 COC(=O)c1cc(c(cn1)SC)OC 62a_200000210301_100010136178 [0,1,0,0,0,0|1,1,0]=3 1549 B14R1.1864 COC(=O)c1cc(c(cn1)S[13CH3])OC 62a_100010136178_200025704644 [0,1,0,0,0,0|1,1,0]=3 1550 B14R1.1864 COC(=O)c1cc(c(cn1)S[13CH3])OC 62a_200025704644_100010136178 [0,1,0,0,0,0|1,1,0]=3 1551 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)OC 34a_100009865136_200000210301 [0,1,0,0,0,0|2,0,0]=3 1552 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)OC 7a_100009865136_200000210301 [0,1,0,0,0,0|2,0,0]=3 1553 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)O[13CH3] 34a_100009865136_200025704644 [0,1,0,0,0,0|2,0,0]=3 1554 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)O[13CH3] 7a_100009865136_200025704644 [0,1,0,0,0,0|2,0,0]=3 1555 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)SC 62a_200000210301_100010150795 [0,1,0,0,0,0|2,1,0]=4 1556 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)S[13CH3] 62a_200025704644_100010150795 [0,1,0,0,0,0|2,1,0]=4 1557 B14R1.1864 COC(=O)c1ccc(c(c1)C=O)SC 62a_100012274322_200000210301 [0,1,0,0,0,0|2,1,0]=4 1558 B14R1.1864 COC(=O)c1ccc(c(c1)C=O)SC 62a_200000210301_100012274322 [0,1,0,0,0,0|2,1,0]=4 1559 B14R1.1864 COC(=O)c1ccc(c(c1)C=O)S[13CH3] 62a_100012274322_200025704644 [0,1,0,0,0,0|2,1,0]=4 1560 B14R1.1864 COC(=O)c1ccc(c(c1)C=O)S[13CH3] 62a_200025704644_100012274322 [0,1,0,0,0,0|2,1,0]=4 1561 B14R1.1864 COC(=O)c1ccc(c(c1)CO)SC 62a_100010201863_200000210301 [0,1,0,0,0,0|2,1,0]=4 1562 B14R1.1864 COC(=O)c1ccc(c(c1)CO)SC 62a_200000210301_100010201863 [0,1,0,0,0,0|2,1,0]=4 1563 B14R1.1864 COC(=O)c1ccc(c(c1)CO)S[13CH3] 62a_100010201863_200025704644 [0,1,0,0,0,0|2,1,0]=4 1564 B14R1.1864 COC(=O)c1ccc(c(c1)CO)S[13CH3] 62a_200025704644_100010201863 [0,1,0,0,0,0|2,1,0]=4 1565 B14R1.1864 COC(=O)c1ccc(c(c1)OC)C#N 34a_100000044657_200000210301 [0,1,0,0,0,0|1,0,0]=2 1566 B14R1.1864 COC(=O)c1ccc(c(c1)OC)C#N 7a_100000044657_200000210301 [0,1,0,0,0,0|1,0,0]=2 1567 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 34a_100000212147_200000210301 [0,1,0,0,0,0|0,0,0]=1 1568 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 34a_100011215032_200000210301 [0,1,0,0,0,0|0,0,0]=1 1569 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 7a_100000212147_200000210301 [0,1,0,0,0,0|0,0,0]=1 1570 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 7a_100011215032_200000210301 [0,1,0,0,0,0|0,0,0]=1 1571 B14R1.1864 COC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_100000212147_200025704644 [0,1,0,0,0,0|0,0,0]=1 1572 B14R1.1864 COC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000212147_200025704644 [0,1,0,0,0,0|0,0,0]=1 1573 B14R1.1864 COC(=O)c1ccc(c(c1)OC)SC 62a_100009816954_200000210301 [0,1,0,0,0,0|0,1,0]=2 1574 B14R1.1864 COC(=O)c1ccc(c(c1)OC)SC 62a_200000210301_100009816954 [0,1,0,0,0,0|0,1,0]=2 1575 B14R1.1864 COC(=O)c1ccc(c(c1)OC)S[13CH3] 62a_100009816954_200025704644 [0,1,0,0,0,0|0,1,0]=2 1576 B14R1.1864 COC(=O)c1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100009816954 [0,1,0,0,0,0|0,1,0]=2 1577 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])C#N 34a_100000044657_200025704644 [0,1,0,0,0,0|1,0,0]=2 1578 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])C#N 7a_100000044657_200025704644 [0,1,0,0,0,0|1,0,0]=2 1579 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])OC 34a_100011215032_200025704644 [0,1,0,0,0,0|0,0,0]=1 1580 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])OC 7a_100011215032_200025704644 [0,1,0,0,0,0|0,0,0]=1 1581 B14R1.1864 COC(=O)c1ccc(c(c1)SC)C#N 62a_200000210301_100009861381 [0,1,0,0,0,0|1,1,0]=3 1582 B14R1.1864 COC(=O)c1ccc(c(c1)SC)C=O 62a_100012179231_200000210301 [0,1,0,0,0,0|0,1,1]=3 1583 B14R1.1864 COC(=O)c1ccc(c(c1)SC)C=O 62a_200000210301_100012179231 [0,1,0,0,0,0|0,1,1]=3 1584 B14R1.1864 COC(=O)c1ccc(c(c1)SC)CO 62a_100012355398_200000210301 [0,1,0,0,0,0|0,1,0]=2 1585 B14R1.1864 COC(=O)c1ccc(c(c1)SC)CO 62a_200000210301_100012355398 [0,1,0,0,0,0|0,1,0]=2 1586 B14R1.1864 COC(=O)c1ccc(c(c1)SC)OC 62a_100000189012_200000210301 [0,1,0,0,0,0|0,1,0]=2 1587 B14R1.1864 COC(=O)c1ccc(c(c1)SC)OC 62a_200000210301_100000189012 [0,1,0,0,0,0|0,1,0]=2 1588 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])C#N 62a_200025704644_100009861381 [0,1,0,0,0,0|1,1,0]=3 1589 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])C=O 62a_100012179231_200025704644 [0,1,0,0,0,0|0,1,1]=3 1590 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100012179231 [0,1,0,0,0,0|0,1,1]=3 1591 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])CO 62a_100012355398_200025704644 [0,1,0,0,0,0|0,1,0]=2 1592 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])CO 62a_200025704644_100012355398 [0,1,0,0,0,0|0,1,0]=2 1593 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])OC 62a_100000189012_200025704644 [0,1,0,0,0,0|0,1,0]=2 1594 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])OC 62a_200025704644_100000189012 [0,1,0,0,0,0|0,1,0]=2 1595 B14R1.1864 COC(=O)c1ccc(c(n1)OC)SC 62a_100010189641_200000210301 [0,1,0,0,0,0|1,1,0]=3 1596 B14R1.1864 COC(=O)c1ccc(c(n1)OC)SC 62a_200000210301_100010189641 [0,1,0,0,0,0|1,1,0]=3 1597 B14R1.1864 COC(=O)c1ccc(c(n1)OC)S[13CH3] 62a_100010189641_200025704644 [0,1,0,0,0,0|1,1,0]=3 1598 B14R1.1864 COC(=O)c1ccc(c(n1)OC)S[13CH3] 62a_200025704644_100010189641 [0,1,0,0,0,0|1,1,0]=3 1599 B14R1.1864 COC(=O)c1ccc(c(n1)SC)OC 62a_100010205418_200000210301 [0,1,0,0,0,0|1,1,0]=3 1600 B14R1.1864 COC(=O)c1ccc(c(n1)SC)OC 62a_200000210301_100010205418 [0,1,0,0,0,0|1,1,0]=3 1601 B14R1.1864 COC(=O)c1ccc(c(n1)S[13CH3])OC 62a_100010205418_200025704644 [0,1,0,0,0,0|1,1,0]=3 1602 B14R1.1864 COC(=O)c1ccc(c(n1)S[13CH3])OC 62a_200025704644_100010205418 [0,1,0,0,0,0|1,1,0]=3 1603 B14R1.1864 COC(=O)c1cnc(c(c1)OC)OC 34a_100009867281_200000210301 [0,1,0,0,0,0|1,0,0]=2 1604 B14R1.1864 COC(=O)c1cnc(c(c1)OC)SC 62a_100010136190_200000210301 [0,1,0,0,0,0|1,1,0]=3 1605 B14R1.1864 COC(=O)c1cnc(c(c1)OC)SC 62a_200000210301_100010074909 [0,1,0,0,0,0|1,1,0]=3 1606 B14R1.1864 COC(=O)c1cnc(c(c1)OC)S[13CH3] 62a_100010136190_200025704644 [0,1,0,0,0,0|1,1,0]=3 1607 B14R1.1864 COC(=O)c1cnc(c(c1)OC)S[13CH3] 62a_200025704644_100010074909 [0,1,0,0,0,0|1,1,0]=3 1608 B14R1.1864 COC(=O)c1cnc(c(c1)O[13CH3])OC 34a_100009867281_200025704644 [0,1,0,0,0,0|1,0,0]=2 1609 B14R1.1864 COC(=O)c1cnc(c(c1)SC)OC 62a_100010189640_200000210301 [0,1,0,0,0,0|1,1,0]=3 1610 B14R1.1864 COC(=O)c1cnc(c(c1)SC)OC 62a_200000210301_100010189640 [0,1,0,0,0,0|1,1,0]=3 1611 B14R1.1864 COC(=O)c1cnc(c(c1)S[13CH3])OC 62a_100010189640_200025704644 [0,1,0,0,0,0|1,1,0]=3 1612 B14R1.1864 COC(=O)c1cnc(c(c1)S[13CH3])OC 62a_200025704644_100010189640 [0,1,0,0,0,0|1,1,0]=3 1613 B14R1.1864 COc1cc(ccc1C#N)C(=O)CF 1458a_100009879710_100015361967 [0,1,0,0,0,0|3,0,0]=4 1614 B14R1.1864 COc1cc(ccc1O[13CH3])C(=NO)N 34a_200000748009_200025704644 [0,1,0,0,0,0|3,0,0]=4 1615 B14R1.1864 COc1cc(ccc1O[13CH3])C(=O)NN 34a_100000008232_200025704644 [0,1,0,0,0,0|2,0,0]=3 1616 B14R1.1864 COc1ccc(cc1OC)C(=NO)N 34a_200000748009_200000210301 [0,1,0,0,0,0|3,0,0]=4 1617 B14R1.1864 COc1ccc(cc1OC)C(=O)CF 1458a_100000211223_100015361967 [0,1,0,0,0,0|2,0,0]=3 1618 B14R1.1864 COc1ccc(cc1OC)C(=O)NN 34a_100000008232_200000210301 [0,1,0,0,0,0|2,0,0]=3 1619 B14R1.1864 COc1ccc(cc1OC)C(=O)NN 34a_200012634778_200000210301 [0,1,0,0,0,0|2,0,0]=3 1620 B14R1.1864 COc1ccc(cc1OC)C(C)OC 34a_100000246476_200000210301 [0,1,0,0,0,0|1,0,1]=3 1621 B14R1.1864 COc1ccc(cc1OC)C(C)OC 7a_100000246476_200000210301 [0,1,0,0,0,0|1,0,1]=3 1622 B14R1.1864 COc1ccc(cc1OC)C(C)O[13CH3] 34a_100000246476_200025704644 [0,1,0,0,0,0|1,0,1]=3 1623 B14R1.1864 COc1ccc(cc1OC)C(C)O[13CH3] 7a_100000246476_200025704644 [0,1,0,0,0,0|1,0,1]=3 1624 B14R1.1864 COc1ccc(cc1OC)[C@@H](C)N[13CH3] 2230a_100025717294_200025704644 [0,1,0,0,0,0|2,0,1]=4 1625 B14R1.1864 COc1ccc(cc1O[13CH3])C(=O)NN 34a_200012634778_200025704644 [0,1,0,0,0,0|2,0,0]=3 1626 B14R1.1864 COc1ccc(cc1SC)C(=O)NN 62a_100000186317_200000210301 [0,1,0,0,0,0|2,1,0]=4 1627 B14R1.1864 COc1ccc(cc1SC)C(=O)NN 62a_200000210301_100000186317 [0,1,0,0,0,0|2,1,0]=4 1628 B14R1.1864 COc1ccc(cc1S[13CH3])C(=O)NN 62a_100000186317_200025704644 [0,1,0,0,0,0|2,1,0]=4 1629 B14R1.1864 COc1ccc(cc1S[13CH3])C(=O)NN 62a_200025704644_100000186317 [0,1,0,0,0,0|2,1,0]=4 1630 B14R1.2283 C=Cc1cc(c(cc1C)C)C(=O)OC 271570a_100011290941_200012360129 [0,1,0,0,0,0|2,0,1]=4 1631 B14R1.2283 C=Cc1cc(c(cc1C)Cl)C(=O)OC 271570a_100011290941_100014124666 [0,1,0,0,0,0|2,0,1]=4 1632 B14R1.2283 C=Cc1cc(c(cc1C)F)C(=O)OC 271570a_100011290941_100012920548 [0,1,0,0,0,0|2,0,1]=4 1633 B14R1.2283 C=Cc1cc(c(cc1C)N)C(=O)OC 271570a_100011290941_100010892302 [0,1,0,0,0,0|2,0,1]=4 1634 B14R1.2283 C=Cc1cc(c(cc1C)O)C(=O)OC 271570a_100011290941_100010233952 [0,1,0,0,0,0|2,0,1]=4 1635 B14R1.2283 C=Cc1cc(c(cc1Cl)F)C(=O)OC 271570a_100011290941_100012920370 [0,1,0,0,0,0|2,0,1]=4 1636 B14R1.2283 C=Cc1cc(c(cc1Cl)N)C(=O)OC 271570a_100011290941_100010253894 [0,1,0,0,0,0|2,0,1]=4 1637 B14R1.2283 C=Cc1cc(c(cc1F)C)C(=O)OC 271570a_100011290941_100013328185 [0,1,0,0,0,0|2,0,1]=4 1638 B14R1.2283 C=Cc1cc(c(cc1F)F)C(=O)OC 271570a_100011290941_100000718433 [0,1,0,0,0,0|2,0,1]=4 1639 B14R1.2283 C=Cc1cc(c(cc1F)N)C(=O)OC 271570a_100011290941_100000699149 [0,1,0,0,0,0|2,0,1]=4 1640 B14R1.2283 C=Cc1cc(c(cc1F)O)C(=O)OC 271570a_100011290941_100010371811 [0,1,0,0,0,0|2,0,1]=4 1641 B14R1.2283 C=Cc1cc(c(cc1N)C)C(=O)OC 271570a_100011290941_100010236254 [0,1,0,0,0,0|2,0,1]=4 1642 B14R1.2283 C=Cc1cc(c(cc1N)Cl)C(=O)OC 271570a_100011290941_100010204190 [0,1,0,0,0,0|2,0,1]=4 1643 B14R1.2283 C=Cc1cc(c(cc1N)F)C(=O)OC 271570a_100011290941_100010764354 [0,1,0,0,0,0|2,0,1]=4 1644 B14R1.2283 C=Cc1cc(c(cc1N)O)C(=O)OC 271570a_100011290941_100010075205 [0,1,0,0,0,0|2,0,1]=4 1645 B14R1.2283 C=Cc1cc(c(nc1O)C)C(=O)OC 271570a_100011290941_100000729808 [0,1,0,0,0,0|2,0,1]=4 1646 B14R1.2283 CCC(=O)c1cc(c(cc1Br)C)OC 1458a_100010289115_100000210202 [0,1,0,0,0,0|2,0,0]=3 1647 B14R1.2283 CCC(=O)c1cc(c(cc1Br)F)OC 1458a_100010174800_100000210202 [0,1,0,0,0,0|2,0,0]=3 1648 B14R1.2283 CNC(=O)c1cc(c(cc1Br)C)OC 11a_106832991635_100010289115 [0,1,0,0,0,0|2,0,0]=3 1649 B14R1.2283 CNC(=O)c1cc(c(cc1Br)C)OC 1626a_100102657272_100010289115 [0,1,0,0,0,0|2,0,0]=3 1650 B14R1.2283 CNC(=O)c1cc(c(cc1Br)C)OC 240690a_100102657272_100010289115 [0,1,0,0,0,0|2,0,0]=3 1651 B14R1.2283 CNC(=O)c1cc(c(cc1Br)C)OC 527a_100102657272_100010289115 [0,1,0,0,0,0|2,0,0]=3 1652 B14R1.2283 CNC(=O)c1cc(c(cc1Br)F)OC 11a_106832991635_100010174800 [0,1,0,0,0,0|2,0,0]=3 1653 B14R1.2283 CNC(=O)c1cc(c(cc1Br)F)OC 1626a_100102657272_100010174800 [0,1,0,0,0,0|2,0,0]=3 1654 B14R1.2283 CNC(=O)c1cc(c(cc1Br)F)OC 240690a_100102657272_100010174800 [0,1,0,0,0,0|2,0,0]=3 1655 B14R1.2283 CNC(=O)c1cc(c(cc1Br)F)OC 527a_100102657272_100010174800 [0,1,0,0,0,0|2,0,0]=3 1656 B14R1.2283 COC(=O)c1cc(c(cc1C)C)SC 62a_200000210301_200012360129 [0,1,0,0,0,0|1,1,0]=3 1657 B14R1.2283 COC(=O)c1cc(c(cc1C)C)SC 62a_200012360129_200000210301 [0,1,0,0,0,0|1,1,0]=3 1658 B14R1.2283 COC(=O)c1cc(c(cc1C)C)S[13CH3] 62a_200012360129_200025704644 [0,1,0,0,0,0|1,1,0]=3 1659 B14R1.2283 COC(=O)c1cc(c(cc1C)C)S[13CH3] 62a_200025704644_200012360129 [0,1,0,0,0,0|1,1,0]=3 1660 B14R1.2283 COC(=O)c1cc(c(cc1C)F)SC 62a_100013328185_200000210301 [0,1,0,0,0,0|1,1,0]=3 1661 B14R1.2283 COC(=O)c1cc(c(cc1C)F)SC 62a_200000210301_100013328185 [0,1,0,0,0,0|1,1,0]=3 1662 B14R1.2283 COC(=O)c1cc(c(cc1C)F)S[13CH3] 62a_100013328185_200025704644 [0,1,0,0,0,0|1,1,0]=3 1663 B14R1.2283 COC(=O)c1cc(c(cc1C)F)S[13CH3] 62a_200025704644_100013328185 [0,1,0,0,0,0|1,1,0]=3 1664 B14R1.2283 COC(=O)c1cc(c(cc1C)N)SC 62a_100010236254_200000210301 [0,1,0,0,0,0|1,1,0]=3 1665 B14R1.2283 COC(=O)c1cc(c(cc1C)N)SC 62a_200000210301_100010236254 [0,1,0,0,0,0|1,1,0]=3 1666 B14R1.2283 COC(=O)c1cc(c(cc1C)N)S[13CH3] 62a_100010236254_200025704644 [0,1,0,0,0,0|1,1,0]=3 1667 B14R1.2283 COC(=O)c1cc(c(cc1C)N)S[13CH3] 62a_200025704644_100010236254 [0,1,0,0,0,0|1,1,0]=3 1668 B14R1.2283 COC(=O)c1cc(c(cc1Cl)C)SC 62a_100014124666_200000210301 [0,1,0,0,0,0|1,1,0]=3 1669 B14R1.2283 COC(=O)c1cc(c(cc1Cl)C)SC 62a_200000210301_100014124666 [0,1,0,0,0,0|1,1,0]=3 1670 B14R1.2283 COC(=O)c1cc(c(cc1Cl)C)S[13CH3] 62a_100014124666_200025704644 [0,1,0,0,0,0|1,1,0]=3 1671 B14R1.2283 COC(=O)c1cc(c(cc1Cl)C)S[13CH3] 62a_200025704644_100014124666 [0,1,0,0,0,0|1,1,0]=3 1672 B14R1.2283 COC(=O)c1cc(c(cc1Cl)F)OC 34a_100010071070_200000210301 [0,1,0,0,0,0|1,0,0]=2 1673 B14R1.2283 COC(=O)c1cc(c(cc1Cl)F)OC 7a_100010071070_200000210301 [0,1,0,0,0,0|1,0,0]=2 1674 B14R1.2283 COC(=O)c1cc(c(cc1Cl)F)O[13CH3] 34a_100010071070_200025704644 [0,1,0,0,0,0|1,0,0]=2 1675 B14R1.2283 COC(=O)c1cc(c(cc1Cl)F)O[13CH3] 7a_100010071070_200025704644 [0,1,0,0,0,0|1,0,0]=2 1676 B14R1.2283 COC(=O)c1cc(c(cc1Cl)N)SC 62a_100010204190_200000210301 [0,1,0,0,0,0|1,1,0]=3 1677 B14R1.2283 COC(=O)c1cc(c(cc1Cl)N)S[13CH3] 62a_100010204190_200025704644 [0,1,0,0,0,0|1,1,0]=3 1678 B14R1.2283 COC(=O)c1cc(c(cc1F)C)OC 34a_100009839768_200000210301 [0,1,0,0,0,0|1,0,0]=2 1679 B14R1.2283 COC(=O)c1cc(c(cc1F)C)OC 7a_100009839768_200000210301 [0,1,0,0,0,0|1,0,0]=2 1680 B14R1.2283 COC(=O)c1cc(c(cc1F)C)O[13CH3] 34a_100009839768_200025704644 [0,1,0,0,0,0|1,0,0]=2 1681 B14R1.2283 COC(=O)c1cc(c(cc1F)C)O[13CH3] 7a_100009839768_200025704644 [0,1,0,0,0,0|1,0,0]=2 1682 B14R1.2283 COC(=O)c1cc(c(cc1F)C)SC 62a_100012920548_200000210301 [0,1,0,0,0,0|1,1,0]=3 1683 B14R1.2283 COC(=O)c1cc(c(cc1F)C)SC 62a_200000210301_100012920548 [0,1,0,0,0,0|1,1,0]=3 1684 B14R1.2283 COC(=O)c1cc(c(cc1F)C)S[13CH3] 62a_100012920548_200025704644 [0,1,0,0,0,0|1,1,0]=3 1685 B14R1.2283 COC(=O)c1cc(c(cc1F)C)S[13CH3] 62a_200025704644_100012920548 [0,1,0,0,0,0|1,1,0]=3 1686 B14R1.2283 COC(=O)c1cc(c(cc1F)Cl)SC 62a_100012920370_200000210301 [0,1,0,0,0,0|1,1,0]=3 1687 B14R1.2283 COC(=O)c1cc(c(cc1F)Cl)SC 62a_200000210301_100012920370 [0,1,0,0,0,0|1,1,0]=3 1688 B14R1.2283 COC(=O)c1cc(c(cc1F)Cl)S[13CH3] 62a_100012920370_200025704644 [0,1,0,0,0,0|1,1,0]=3 1689 B14R1.2283 COC(=O)c1cc(c(cc1F)Cl)S[13CH3] 62a_200025704644_100012920370 [0,1,0,0,0,0|1,1,0]=3 1690 B14R1.2283 COC(=O)c1cc(c(cc1F)F)SC 62a_100000718433_200000210301 [0,1,0,0,0,0|1,1,0]=3 1691 B14R1.2283 COC(=O)c1cc(c(cc1F)F)SC 62a_200000210301_100000718433 [0,1,0,0,0,0|1,1,0]=3 1692 B14R1.2283 COC(=O)c1cc(c(cc1F)F)S[13CH3] 62a_100000718433_200025704644 [0,1,0,0,0,0|1,1,0]=3 1693 B14R1.2283 COC(=O)c1cc(c(cc1F)F)S[13CH3] 62a_200025704644_100000718433 [0,1,0,0,0,0|1,1,0]=3 1694 B14R1.2283 COC(=O)c1cc(c(cc1F)N)SC 62a_100010764354_200000210301 [0,1,0,0,0,0|1,1,0]=3 1695 B14R1.2283 COC(=O)c1cc(c(cc1F)N)S[13CH3] 62a_100010764354_200025704644 [0,1,0,0,0,0|1,1,0]=3 1696 B14R1.2283 COC(=O)c1cc(c(cc1N)C)SC 62a_100010892302_200000210301 [0,1,0,0,0,0|1,1,0]=3 1697 B14R1.2283 COC(=O)c1cc(c(cc1N)C)SC 62a_200000210301_100010892302 [0,1,0,0,0,0|1,1,0]=3 1698 B14R1.2283 COC(=O)c1cc(c(cc1N)C)S[13CH3] 62a_100010892302_200025704644 [0,1,0,0,0,0|1,1,0]=3 1699 B14R1.2283 COC(=O)c1cc(c(cc1N)C)S[13CH3] 62a_200025704644_100010892302 [0,1,0,0,0,0|1,1,0]=3 1700 B14R1.2283 COC(=O)c1cc(c(cc1N)Cl)SC 62a_100010253894_200000210301 [0,1,0,0,0,0|1,1,0]=3 1701 B14R1.2283 COC(=O)c1cc(c(cc1N)Cl)S[13CH3] 62a_100010253894_200025704644 [0,1,0,0,0,0|1,1,0]=3 1702 B14R1.2283 COC(=O)c1cc(c(cc1N)F)OC 34a_100011586606_200000210301 [0,1,0,0,0,0|1,0,0]=2 1703 B14R1.2283 COC(=O)c1cc(c(cc1N)F)OC 7a_100011586606_200000210301 [0,1,0,0,0,0|1,0,0]=2 1704 B14R1.2283 COC(=O)c1cc(c(cc1N)F)O[13CH3] 34a_100011586606_200025704644 [0,1,0,0,0,0|1,0,0]=2 1705 B14R1.2283 COC(=O)c1cc(c(cc1N)F)O[13CH3] 7a_100011586606_200025704644 [0,1,0,0,0,0|1,0,0]=2 1706 B14R1.2283 COC(=O)c1cc(c(cc1N)F)SC 62a_100000699149_200000210301 [0,1,0,0,0,0|1,1,0]=3 1707 B14R1.2283 COC(=O)c1cc(c(cc1N)F)S[13CH3] 62a_100000699149_200025704644 [0,1,0,0,0,0|1,1,0]=3 1708 B14R1.2283 COC(=O)c1cc(c(cc1N)O)OC 271570a_203496583355_100014686525 [0,1,0,0,0,0|0,0,0]=1 1709 B14R1.2283 COC(=O)c1cc(c(cc1O)C)SC 62a_100010233952_200000210301 [0,1,0,0,0,0|1,1,0]=3 1710 B14R1.2283 COC(=O)c1cc(c(cc1O)C)SC 62a_200000210301_100010233952 [0,1,0,0,0,0|1,1,0]=3 1711 B14R1.2283 COC(=O)c1cc(c(cc1O)C)S[13CH3] 62a_100010233952_200025704644 [0,1,0,0,0,0|1,1,0]=3 1712 B14R1.2283 COC(=O)c1cc(c(cc1O)C)S[13CH3] 62a_200025704644_100010233952 [0,1,0,0,0,0|1,1,0]=3 1713 B14R1.2283 COC(=O)c1cc(c(cc1O)F)OC 271570a_203496583355_100010269054 [0,1,0,0,0,0|1,0,0]=2 1714 B14R1.2283 COC(=O)c1cc(c(cc1O)F)SC 62a_100010371811_200000210301 [0,1,0,0,0,0|1,1,0]=3 1715 B14R1.2283 COC(=O)c1cc(c(cc1O)F)SC 62a_200000210301_100010371811 [0,1,0,0,0,0|1,1,0]=3 1716 B14R1.2283 COC(=O)c1cc(c(cc1O)F)S[13CH3] 62a_100010371811_200025704644 [0,1,0,0,0,0|1,1,0]=3 1717 B14R1.2283 COC(=O)c1cc(c(cc1O)F)S[13CH3] 62a_200025704644_100010371811 [0,1,0,0,0,0|1,1,0]=3 1718 B14R1.2283 COC(=O)c1cc(c(cc1O)N)SC 62a_100010075205_200000210301 [0,1,0,0,0,0|1,1,0]=3 1719 B14R1.2283 COC(=O)c1cc(c(cc1O)N)S[13CH3] 62a_100010075205_200025704644 [0,1,0,0,0,0|1,1,0]=3 1720 B14R1.2283 COC(=O)c1cc(c(nc1C)N)SC 62a_200000210301_200020932694 [0,1,0,0,0,0|2,1,0]=4 1721 B14R1.2283 COC(=O)c1cc(c(nc1C)N)SC 62a_200020932694_200000210301 [0,1,0,0,0,0|2,1,0]=4 1722 B14R1.2283 COC(=O)c1cc(c(nc1C)N)S[13CH3] 62a_200020932694_200025704644 [0,1,0,0,0,0|2,1,0]=4 1723 B14R1.2283 COC(=O)c1cc(c(nc1C)N)S[13CH3] 62a_200025704644_200020932694 [0,1,0,0,0,0|2,1,0]=4 1724 B14R1.2283 COC(=O)c1cc(c(nc1C)O)SC 62a_100000729808_200000210301 [0,1,0,0,0,0|1,1,0]=3 1725 B14R1.2283 COC(=O)c1cc(c(nc1C)O)SC 62a_200000210301_100000729808 [0,1,0,0,0,0|1,1,0]=3 1726 B14R1.2283 COC(=O)c1cc(c(nc1C)O)S[13CH3] 62a_100000729808_200025704644 [0,1,0,0,0,0|1,1,0]=3 1727 B14R1.2283 COC(=O)c1cc(c(nc1C)O)S[13CH3] 62a_200025704644_100000729808 [0,1,0,0,0,0|1,1,0]=3 1728 B14R1.2283 COc1cc(c(cc1C)Br)C(=O)CF 1458a_100010289115_100015361967 [0,1,0,0,0,0|3,0,0]=4 1729 B14R1.2283 COc1cc(c(cc1F)Br)C(=O)CF 1458a_100010174800_100015361967 [0,1,0,0,0,0|3,0,0]=4 1730 B14R1.3413 CCS(=O)(=O)c1ccc(c(c1)NC)O 34a_100000210498_200000210301 [0,1,0,0,0,0|3,0,0]=4 1731 B14R1.3413 CCS(=O)(=O)c1ccc(c(c1)NC)O 7a_100000210498_200000210301 [0,1,0,0,0,0|3,0,0]=4 1732 B14R1.3413 CCS(=O)(=O)c1ccc(c(c1)N[13CH3])O 34a_100000210498_200025704644 [0,1,0,0,0,0|3,0,0]=4 1733 B14R1.3413 CCS(=O)(=O)c1ccc(c(c1)N[13CH3])O 7a_100000210498_200025704644 [0,1,0,0,0,0|3,0,0]=4 1734 B14R1.3413 CNS(=O)(=O)c1ccc(c(c1)N[13CH3])O 34a_100000732981_200025704644 [0,1,0,0,0,0|3,0,0]=4 1735 B14R1.3413 CNS(=O)(=O)c1ccc(c(c1)OC)Br 270084a_100102657272_100000765252 [0,1,0,0,0,0|3,0,0]=4 1736 B14R1.3413 CNS(=O)(=O)c1ccc(c(c1)OC)Br 274078a_100102657272_100000765252 [0,1,0,0,0,0|3,0,0]=4 1737 B14R1.3413 CNS(=O)(=O)c1ccc(c(c1)OC)F 270084a_100102657272_100000717096 [0,1,0,0,0,0|3,0,0]=4 1738 B14R1.3413 CNS(=O)(=O)c1ccc(c(c1)OC)F 274078a_100102657272_100000717096 [0,1,0,0,0,0|3,0,0]=4 1739 B14R1.3413 CNc1cc(ccc1O)S(=O)(=O)NC 34a_100000732981_200000210301 [0,1,0,0,0,0|3,0,0]=4 1740 B14R1.4114 C=Cc1c(ccc(c1C)C(=O)OC)C 271570a_100011290941_200010734123 [0,1,0,0,0,0|2,0,1]=4 1741 B14R1.4114 C=Cc1c(ccc(c1C)C(=O)OC)N 271570a_100011290941_100010764323 [0,1,0,0,0,0|2,0,1]=4 1742 B14R1.4114 C=Cc1c(ccc(c1Cl)C(=O)OC)N 271570a_100011290941_200016031531 [0,1,0,0,0,0|2,0,1]=4 1743 B14R1.4114 C=Cc1c(ccc(c1F)C(=O)OC)F 271570a_100011290941_100000697099 [0,1,0,0,0,0|2,0,1]=4 1744 B14R1.4114 CCC(=O)c1ccc(c(c1F)OC)Br 1458a_100009816242_100000210202 [0,1,0,0,0,0|2,0,0]=3 1745 B14R1.4114 CCC(=O)c1ccc(c(c1F)OC)Cl 1458a_100010116254_100000210202 [0,1,0,0,0,0|2,0,0]=3 1746 B14R1.4114 CCC(=O)c1ccc(c(c1F)OC)F 1458a_100000061937_100000210202 [0,1,0,0,0,0|2,0,0]=3 1747 B14R1.4114 CCC(=O)c1ccc(c(c1F)SC)Cl 1458a_200134766191_100000210202 [0,1,0,0,0,0|2,1,0]=4 1748 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Br 11a_106832991635_100009816242 [0,1,0,0,0,0|2,0,0]=3 1749 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Br 1626a_100102657272_100009816242 [0,1,0,0,0,0|2,0,0]=3 1750 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Br 240690a_100102657272_100009816242 [0,1,0,0,0,0|2,0,0]=3 1751 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Br 527a_100102657272_100009816242 [0,1,0,0,0,0|2,0,0]=3 1752 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Cl 11a_106832991635_100010116254 [0,1,0,0,0,0|2,0,0]=3 1753 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Cl 1626a_100102657272_100010116254 [0,1,0,0,0,0|2,0,0]=3 1754 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Cl 240690a_100102657272_100010116254 [0,1,0,0,0,0|2,0,0]=3 1755 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Cl 527a_100102657272_100010116254 [0,1,0,0,0,0|2,0,0]=3 1756 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)F 11a_106832991635_100000061937 [0,1,0,0,0,0|2,0,0]=3 1757 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)F 1626a_100102657272_100000061937 [0,1,0,0,0,0|2,0,0]=3 1758 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)F 240690a_100102657272_100000061937 [0,1,0,0,0,0|2,0,0]=3 1759 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)F 527a_100102657272_100000061937 [0,1,0,0,0,0|2,0,0]=3 1760 B14R1.4114 CNC(=O)c1ccc(c(c1F)SC)Cl 11a_106832991635_200134766191 [0,1,0,0,0,0|2,1,0]=4 1761 B14R1.4114 CNC(=O)c1ccc(c(c1F)SC)Cl 1626a_100102657272_200134766191 [0,1,0,0,0,0|2,1,0]=4 1762 B14R1.4114 CNC(=O)c1ccc(c(c1F)SC)Cl 240690a_100102657272_200134766191 [0,1,0,0,0,0|2,1,0]=4 1763 B14R1.4114 CNC(=O)c1ccc(c(c1F)SC)Cl 527a_100102657272_200134766191 [0,1,0,0,0,0|2,1,0]=4 1764 B14R1.4114 COC(=O)c1ccc(c(c1C)OC)Br 34a_100010889012_200000210301 [0,1,0,0,0,0|1,0,0]=2 1765 B14R1.4114 COC(=O)c1ccc(c(c1C)OC)Br 7a_100010889012_200000210301 [0,1,0,0,0,0|1,0,0]=2 1766 B14R1.4114 COC(=O)c1ccc(c(c1C)O[13CH3])Br 34a_100010889012_200025704644 [0,1,0,0,0,0|1,0,0]=2 1767 B14R1.4114 COC(=O)c1ccc(c(c1C)O[13CH3])Br 7a_100010889012_200025704644 [0,1,0,0,0,0|1,0,0]=2 1768 B14R1.4114 COC(=O)c1ccc(c(c1C)SC)C 62a_200000210301_200010734123 [0,1,0,0,0,0|1,1,0]=3 1769 B14R1.4114 COC(=O)c1ccc(c(c1C)SC)C 62a_200010734123_200000210301 [0,1,0,0,0,0|1,1,0]=3 1770 B14R1.4114 COC(=O)c1ccc(c(c1C)SC)N 62a_100010764323_200000210301 [0,1,0,0,0,0|1,1,0]=3 1771 B14R1.4114 COC(=O)c1ccc(c(c1C)SC)N 62a_200000210301_100010764323 [0,1,0,0,0,0|1,1,0]=3 1772 B14R1.4114 COC(=O)c1ccc(c(c1C)S[13CH3])C 62a_200010734123_200025704644 [0,1,0,0,0,0|1,1,0]=3 1773 B14R1.4114 COC(=O)c1ccc(c(c1C)S[13CH3])C 62a_200025704644_200010734123 [0,1,0,0,0,0|1,1,0]=3 1774 B14R1.4114 COC(=O)c1ccc(c(c1C)S[13CH3])N 62a_100010764323_200025704644 [0,1,0,0,0,0|1,1,0]=3 1775 B14R1.4114 COC(=O)c1ccc(c(c1C)S[13CH3])N 62a_200025704644_100010764323 [0,1,0,0,0,0|1,1,0]=3 1776 B14R1.4114 COC(=O)c1ccc(c(c1Cl)SC)N 62a_200000210301_200016031531 [0,1,0,0,0,0|1,1,0]=3 1777 B14R1.4114 COC(=O)c1ccc(c(c1Cl)SC)N 62a_200016031531_200000210301 [0,1,0,0,0,0|1,1,0]=3 1778 B14R1.4114 COC(=O)c1ccc(c(c1Cl)S[13CH3])N 62a_200016031531_200025704644 [0,1,0,0,0,0|1,1,0]=3 1779 B14R1.4114 COC(=O)c1ccc(c(c1Cl)S[13CH3])N 62a_200025704644_200016031531 [0,1,0,0,0,0|1,1,0]=3 1780 B14R1.4114 COC(=O)c1ccc(c(c1F)OC)Br 34a_100011096176_200000210301 [0,1,0,0,0,0|1,0,0]=2 1781 B14R1.4114 COC(=O)c1ccc(c(c1F)OC)Br 7a_100011096176_200000210301 [0,1,0,0,0,0|1,0,0]=2 1782 B14R1.4114 COC(=O)c1ccc(c(c1F)O[13CH3])Br 34a_100011096176_200025704644 [0,1,0,0,0,0|1,0,0]=2 1783 B14R1.4114 COC(=O)c1ccc(c(c1F)O[13CH3])Br 7a_100011096176_200025704644 [0,1,0,0,0,0|1,0,0]=2 1784 B14R1.4114 COC(=O)c1ccc(c(c1F)SC)F 62a_100000697099_200000210301 [0,1,0,0,0,0|1,1,0]=3 1785 B14R1.4114 COC(=O)c1ccc(c(c1F)SC)F 62a_200000210301_100000697099 [0,1,0,0,0,0|1,1,0]=3 1786 B14R1.4114 COC(=O)c1ccc(c(c1F)S[13CH3])F 62a_100000697099_200025704644 [0,1,0,0,0,0|1,1,0]=3 1787 B14R1.4114 COC(=O)c1ccc(c(c1F)S[13CH3])F 62a_200025704644_100000697099 [0,1,0,0,0,0|1,1,0]=3 1788 B14R1.4114 COc1c(ccc(c1F)C(=O)CF)Br 1458a_100009816242_100015361967 [0,1,0,0,0,0|3,0,0]=4 1789 B14R1.4114 COc1c(ccc(c1F)C(=O)CF)Cl 1458a_100010116254_100015361967 [0,1,0,0,0,0|3,0,0]=4 1790 B14R1.4114 COc1c(ccc(c1F)C(=O)CF)F 1458a_100000061937_100015361967 [0,1,0,0,0,0|3,0,0]=4 1791 B14R2.966 CC(O[13CH3])c1ccc2c(c1)OCO2 34a_100000741967_200025704644 [0,0,0,1,0,0|1,0,1]=3 1792 B14R2.966 CC(O[13CH3])c1ccc2c(c1)OCO2 7a_100000741967_200025704644 [0,0,0,1,0,0|1,0,1]=3 1793 B14R2.966 CCC(=O)c1ccc2c(c1)CCC2 1458a_100000195560_100000210202 [0,0,0,1,0,0|3,0,0]=4 1794 B14R2.966 CCC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_100000210202 [0,0,0,1,0,0|2,0,0]=3 1795 B14R2.966 CCC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100000210202 [0,0,0,1,0,0|1,0,0]=2 1796 B14R2.966 CCC(=O)c1ccc2ccoc2c1 1458a_100000077109_100000210202 [0,0,0,1,0,0|2,0,1]=4 1797 B14R2.966 CCC(=O)c1ccc2ncoc2c1 1458a_100000750374_100000210202 [0,0,0,1,0,0|2,0,1]=4 1798 B14R2.966 CCC(=O)c1ccc2occc2c1 1458a_100000039204_100000210202 [0,0,0,1,0,0|2,0,1]=4 1799 B14R2.966 CCC(=O)c1ccc2ocnc2c1 1458a_100000238527_100000210202 [0,0,0,1,0,0|2,0,1]=4 1800 B14R2.966 CCN(C)c1ccc2c(c1)OCO2 2230a_200000219546_200000210301 [0,0,0,1,0,0|3,0,0]=4 1801 B14R2.966 CCN(C)c1ccc2c(c1)OCO2 269982a_200000219546_200000210301 [0,0,0,1,0,0|3,0,0]=4 1802 B14R2.966 CCN(C)c1ccc2c(c1)OCO2 34a_200000219546_200000210301 [0,0,0,1,0,0|3,0,0]=4 1803 B14R2.966 CCN([13CH3])c1ccc2c(c1)OCO2 2230a_200000219546_200025704644 [0,0,0,1,0,0|3,0,0]=4 1804 B14R2.966 CCN([13CH3])c1ccc2c(c1)OCO2 269982a_200000219546_200025704644 [0,0,0,1,0,0|3,0,0]=4 1805 B14R2.966 CCN([13CH3])c1ccc2c(c1)OCO2 34a_200000219546_200025704644 [0,0,0,1,0,0|3,0,0]=4 1806 B14R2.966 CNC(=O)c1ccc2c(c1)CCC2 11a_106832991635_100000195560 [0,0,0,1,0,0|3,0,0]=4 1807 B14R2.966 CNC(=O)c1ccc2c(c1)CCC2 1626a_100102657272_100000195560 [0,0,0,1,0,0|3,0,0]=4 1808 B14R2.966 CNC(=O)c1ccc2c(c1)CCC2 240690a_100102657272_100000195560 [0,0,0,1,0,0|3,0,0]=4 1809 B14R2.966 CNC(=O)c1ccc2c(c1)CCC2 527a_100102657272_100000195560 [0,0,0,1,0,0|3,0,0]=4 1810 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 11a_106832991635_100011207309 [0,0,0,1,0,0|2,0,0]=3 1811 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 1626a_100102657272_100011207309 [0,0,0,1,0,0|2,0,0]=3 1812 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 240690a_100102657272_100011207309 [0,0,0,1,0,0|2,0,0]=3 1813 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 527a_100102657272_100011207309 [0,0,0,1,0,0|2,0,0]=3 1814 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 11a_106832991635_100000210863 [0,0,0,1,0,0|1,0,0]=2 1815 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 1626a_100102657272_100000210863 [0,0,0,1,0,0|1,0,0]=2 1816 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 240690a_100102657272_100000210863 [0,0,0,1,0,0|1,0,0]=2 1817 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 527a_100102657272_100000210863 [0,0,0,1,0,0|1,0,0]=2 1818 B14R2.966 CNC(=O)c1ccc2ccoc2c1 11a_106832991635_100000077109 [0,0,0,1,0,0|2,0,1]=4 1819 B14R2.966 CNC(=O)c1ccc2ccoc2c1 1626a_100102657272_100000077109 [0,0,0,1,0,0|2,0,1]=4 1820 B14R2.966 CNC(=O)c1ccc2ccoc2c1 240690a_100102657272_100000077109 [0,0,0,1,0,0|2,0,1]=4 1821 B14R2.966 CNC(=O)c1ccc2ccoc2c1 527a_100102657272_100000077109 [0,0,0,1,0,0|2,0,1]=4 1822 B14R2.966 CNC(=O)c1ccc2ncoc2c1 1626a_100102657272_100000750374 [0,0,0,1,0,0|2,0,1]=4 1823 B14R2.966 CNC(=O)c1ccc2occc2c1 11a_106832991635_100000039204 [0,0,0,1,0,0|2,0,1]=4 1824 B14R2.966 CNC(=O)c1ccc2occc2c1 1626a_100102657272_100000039204 [0,0,0,1,0,0|2,0,1]=4 1825 B14R2.966 CNC(=O)c1ccc2occc2c1 240690a_100102657272_100000039204 [0,0,0,1,0,0|2,0,1]=4 1826 B14R2.966 CNC(=O)c1ccc2occc2c1 527a_100102657272_100000039204 [0,0,0,1,0,0|2,0,1]=4 1827 B14R2.966 CNC(=O)c1ccc2ocnc2c1 11a_106832991635_100000238527 [0,0,0,1,0,0|2,0,1]=4 1828 B14R2.966 CNC(=O)c1ccc2ocnc2c1 1626a_100102657272_100000238527 [0,0,0,1,0,0|2,0,1]=4 1829 B14R2.966 CNC(C)c1ccc2c(c1)OCO2 269862a_106832991636_100000211065 [0,0,0,1,0,0|2,0,1]=4 1830 B14R2.966 CN[C@H](C)c1ccc2c(c1)OCO2 2230a_100000744171_200000210301 [0,0,0,1,0,0|2,0,1]=4 1831 B14R2.966 COC(C)c1ccc2c(c1)OCO2 34a_100000741967_200000210301 [0,0,0,1,0,0|1,0,1]=3 1832 B14R2.966 COC(C)c1ccc2c(c1)OCO2 7a_100000741967_200000210301 [0,0,0,1,0,0|1,0,1]=3 1833 B14R2.966 C[C@@H](N[13CH3])c1ccc2c(c1)OCO2 2230a_100000744171_200025704644 [0,0,0,1,0,0|2,0,1]=4 1834 B14R2.966 O=C(CF)c1ccc2c(c1)CCO2 1458a_100011207309_100015361967 [0,0,0,1,0,0|3,0,0]=4 1835 B14R2.966 O=C(CF)c1ccc2c(c1)OCO2 1458a_100000210863_100015361967 [0,0,0,1,0,0|2,0,0]=3 1836 B14R2.2167 COc1cc2c(cc1C)COC2=O 7a_200010662192_200000210301 [0,0,0,1,0,0|1,0,0]=2 1837 B14R2.2167 COc1cc2c(cc1F)CCC2=O 34a_100000092147_200000210301 [0,0,0,1,0,0|2,0,0]=3 1838 B14R2.2167 COc1cc2c(cc1F)CCC2=O 7a_100000092147_200000210301 [0,0,0,1,0,0|2,0,0]=3 1839 B14R2.2167 COc1cc2c(cc1O)CCC2=O 271570a_203496583355_100010233615 [0,0,0,1,0,0|1,0,0]=2 1840 B14R2.2167 CSc1cc2c(cc1C)CCC2=O 62a_100010133461_200000210301 [0,0,0,1,0,0|2,1,0]=4 1841 B14R2.2167 CSc1cc2c(cc1C)CCC2=O 62a_200000210301_100010133461 [0,0,0,1,0,0|2,1,0]=4 1842 B14R2.2167 CSc1cc2c(cc1F)CCC2=O 62a_100010010871_200000210301 [0,0,0,1,0,0|2,1,0]=4 1843 B14R2.2167 CSc1cc2c(cc1F)CCC2=O 62a_200000210301_100010010871 [0,0,0,1,0,0|2,1,0]=4 1844 B14R2.2167 CSc1cc2c(cc1N)CCC2=O 62a_100010080117_200000210301 [0,0,0,1,0,0|2,1,0]=4 1845 B14R2.2167 CSc1cc2c(cc1N)CCC2=O 62a_200000210301_100010080117 [0,0,0,1,0,0|2,1,0]=4 1846 B14R2.2167 Cc1cc2c(cc1O[13CH3])C(=O)OC2 7a_200010662192_200025704644 [0,0,0,1,0,0|1,0,0]=2 1847 B14R2.2167 Cc1cc2c(cc1S[13CH3])C(=O)CC2 62a_100010133461_200025704644 [0,0,0,1,0,0|2,1,0]=4 1848 B14R2.2167 Cc1cc2c(cc1S[13CH3])C(=O)CC2 62a_200025704644_100010133461 [0,0,0,1,0,0|2,1,0]=4 1849 B14R2.2167 [13CH3]Oc1cc2c(cc1F)CCC2=O 34a_100000092147_200025704644 [0,0,0,1,0,0|2,0,0]=3 1850 B14R2.2167 [13CH3]Oc1cc2c(cc1F)CCC2=O 7a_100000092147_200025704644 [0,0,0,1,0,0|2,0,0]=3 1851 B14R2.2167 [13CH3]Sc1cc2c(cc1F)CCC2=O 62a_100010010871_200025704644 [0,0,0,1,0,0|2,1,0]=4 1852 B14R2.2167 [13CH3]Sc1cc2c(cc1F)CCC2=O 62a_200025704644_100010010871 [0,0,0,1,0,0|2,1,0]=4 1853 B14R2.2167 [13CH3]Sc1cc2c(cc1N)CCC2=O 62a_100010080117_200025704644 [0,0,0,1,0,0|2,1,0]=4 1854 B14R2.2167 [13CH3]Sc1cc2c(cc1N)CCC2=O 62a_200025704644_100010080117 [0,0,0,1,0,0|2,1,0]=4 1855 B14R2.3818 COc1c(ccc2c1CCC2=O)C 34a_100009867297_200000210301 [0,0,0,1,0,0|2,0,0]=3 1856 B14R2.3818 COc1c(ccc2c1CCC2=O)C 7a_100009867297_200000210301 [0,0,0,1,0,0|2,0,0]=3 1857 B14R2.3818 CSc1c(ccc2c1CCC2=O)C 62a_100010133459_200000210301 [0,0,0,1,0,0|2,1,0]=4 1858 B14R2.3818 CSc1c(ccc2c1CCC2=O)C 62a_200000210301_100010133459 [0,0,0,1,0,0|2,1,0]=4 1859 B14R2.3818 CSc1c(ccc2c1CCC2=O)F 62a_200000210301_200010133454 [0,0,0,1,0,0|2,1,0]=4 1860 B14R2.3818 CSc1c(ccc2c1CCC2=O)F 62a_200010133454_200000210301 [0,0,0,1,0,0|2,1,0]=4 1861 B14R2.3818 Cc1ccc2c(c1O[13CH3])CCC2=O 34a_100009867297_200025704644 [0,0,0,1,0,0|2,0,0]=3 1862 B14R2.3818 Cc1ccc2c(c1O[13CH3])CCC2=O 7a_100009867297_200025704644 [0,0,0,1,0,0|2,0,0]=3 1863 B14R2.3818 Cc1ccc2c(c1S[13CH3])CCC2=O 62a_100010133459_200025704644 [0,0,0,1,0,0|2,1,0]=4 1864 B14R2.3818 Cc1ccc2c(c1S[13CH3])CCC2=O 62a_200025704644_100010133459 [0,0,0,1,0,0|2,1,0]=4 1865 B14R2.3818 [13CH3]Sc1c(ccc2c1CCC2=O)F 62a_200010133454_200025704644 [0,0,0,1,0,0|2,1,0]=4 1866 B14R2.3818 [13CH3]Sc1c(ccc2c1CCC2=O)F 62a_200025704644_200010133454 [0,0,0,1,0,0|2,1,0]=4 1867 B12R1.63 COC(=O)c1cc(c([nH]1)C#N)O 271570a_203496583355_100011068512 [0,0,0,0,1,0|3,0,0]=4 1868 B12R1.63 COC(=O)c1cc(c([nH]1)C)SC 62a_200000210301_100010501536 [0,0,0,0,1,0|2,1,0]=4 1869 B12R1.63 COC(=O)c1cc(c([nH]1)C)S[13CH3] 62a_200025704644_100010501536 [0,0,0,0,1,0|2,1,0]=4 1870 B12R1.63 COC(=O)c1cc(c(s1)C=O)O 271570a_203496583355_100010234932 [0,0,0,0,1,0|3,0,0]=4 1871 B12R1.63 COC(=O)c1cc(c(s1)OC)O 271570a_203496583355_100134754287 [0,0,0,0,1,0|1,0,0]=2 1872 B12R1.63 COC(=O)c1cc(c(s1)SC)C 62a_100011219469_200000210301 [0,0,0,0,1,0|2,1,0]=4 1873 B12R1.63 COC(=O)c1cc(c(s1)SC)C 62a_200000210301_100011219469 [0,0,0,0,1,0|2,1,0]=4 1874 B12R1.63 COC(=O)c1cc(c(s1)SC)N 62a_200000210301_200010749435 [0,0,0,0,1,0|2,1,0]=4 1875 B12R1.63 COC(=O)c1cc(c(s1)SC)N 62a_200010749435_200000210301 [0,0,0,0,1,0|2,1,0]=4 1876 B12R1.63 COC(=O)c1cc(c(s1)S[13CH3])C 62a_100011219469_200025704644 [0,0,0,0,1,0|2,1,0]=4 1877 B12R1.63 COC(=O)c1cc(c(s1)S[13CH3])C 62a_200025704644_100011219469 [0,0,0,0,1,0|2,1,0]=4 1878 B12R1.63 COC(=O)c1cc(c(s1)S[13CH3])N 62a_200010749435_200025704644 [0,0,0,0,1,0|2,1,0]=4 1879 B12R1.63 COC(=O)c1cc(c(s1)S[13CH3])N 62a_200025704644_200010749435 [0,0,0,0,1,0|2,1,0]=4 1880 B12R1.743 COC(=O)c1csc(c1OC)O 271570a_203496583355_100010277438 [0,0,0,0,1,0|1,0,0]=2 1881 B12R1.743 COC(=O)c1scc(c1OC)Br 34a_100009812821_200000210301 [0,0,0,0,1,0|2,0,0]=3 1882 B12R1.743 COC(=O)c1scc(c1OC)Cl 34a_200009884760_200000210301 [0,0,0,0,1,0|2,0,0]=3 1883 B12R1.743 COC(=O)c1scc(c1OC)Cl 7a_200009884760_200000210301 [0,0,0,0,1,0|2,0,0]=3 1884 B12R1.743 COC(=O)c1scc(c1OC)O 271570a_203496583355_200009814288 [0,0,0,0,1,0|1,0,0]=2 1885 B12R1.743 COC(=O)c1scc(c1O[13CH3])Br 34a_100009812821_200025704644 [0,0,0,0,1,0|2,0,0]=3 1886 B12R1.743 COC(=O)c1scc(c1O[13CH3])Cl 34a_200009884760_200025704644 [0,0,0,0,1,0|2,0,0]=3 1887 B12R1.743 COC(=O)c1scc(c1O[13CH3])Cl 7a_200009884760_200025704644 [0,0,0,0,1,0|2,0,0]=3 1888 B12R1.743 COC(=O)c1scc(c1SC)C 62a_200000210301_100000716566 [0,0,0,0,1,0|2,1,0]=4 1889 B12R1.743 COC(=O)c1scc(c1S[13CH3])C 62a_200025704644_100000716566 [0,0,0,0,1,0|2,1,0]=4 1890 B14R1.3405 C#CC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000211873_100010110085 [0,0,0,0,0,1|2,0,1]=4 1891 B14R1.3405 C#CC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000211873_200010214485 [0,0,0,0,0,1|2,0,1]=4 1892 B14R1.3405 C#CC(=O)Cc1ccc(c(c1)OC)F 1458a_100000211873_100012349856 [0,0,0,0,0,1|2,0,1]=4 1893 B14R1.3405 C=CC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000185746_100010110085 [0,0,0,0,0,1|2,0,1]=4 1894 B14R1.3405 C=CC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000185746_200010214485 [0,0,0,0,0,1|2,0,1]=4 1895 B14R1.3405 C=CC(=O)Cc1ccc(c(c1)OC)F 1458a_100000185746_100012349856 [0,0,0,0,0,1|2,0,1]=4 1896 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)Br 1626a_100000765947_100000185746 [0,0,0,0,0,1|2,0,1]=4 1897 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)Br 22a_100000765947_100000185746 [0,0,0,0,0,1|2,0,1]=4 1898 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)C 1626a_100011279678_100000185746 [0,0,0,0,0,1|2,0,1]=4 1899 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)C 22a_100011279678_100000185746 [0,0,0,0,0,1|2,0,1]=4 1900 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)Cl 1626a_100000742311_100000185746 [0,0,0,0,0,1|2,0,1]=4 1901 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)Cl 22a_100000742311_100000185746 [0,0,0,0,0,1|2,0,1]=4 1902 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)F 1626a_100000701188_100000185746 [0,0,0,0,0,1|2,0,1]=4 1903 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)F 22a_100000701188_100000185746 [0,0,0,0,0,1|2,0,1]=4 1904 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)I 1626a_100000746945_100000185746 [0,0,0,0,0,1|2,0,1]=4 1905 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)I 22a_100000746945_100000185746 [0,0,0,0,0,1|2,0,1]=4 1906 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000185746 [0,0,0,0,0,1|1,0,1]=3 1907 B14R1.3405 C=Cc1cc(ccc1F)CC(=O)OC 271570a_100011290941_100011435807 [0,0,0,0,0,1|2,0,1]=4 1908 B14R1.3405 C=Cc1cc(ccc1O)CC(=O)OC 271570a_100011290941_100010222482 [0,0,0,0,0,1|1,0,1]=3 1909 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000210414_100010110085 [0,0,0,0,0,1|2,0,0]=3 1910 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)Br 1458a_200010002685_100000210202 [0,0,0,0,0,1|2,0,0]=3 1911 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000210414_200010214485 [0,0,0,0,0,1|2,0,0]=3 1912 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)F 1458a_100000117344_100000210202 [0,0,0,0,0,1|2,0,0]=3 1913 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)F 1458a_100000210414_100012349856 [0,0,0,0,0,1|2,0,0]=3 1914 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)O 1458a_100000032101_100000210202 [0,0,0,0,0,1|1,0,0]=2 1915 B14R1.3405 CCC(=O)Cc1ccc(c(n1)OC)Br 1458a_100000210414_200010066506 [0,0,0,0,0,1|3,0,0]=4 1916 B14R1.3405 CCC(=O)Nc1ccc(c(c1)C#N)O 22a_100011249283_100000210414 [0,0,0,0,0,1|3,0,0]=4 1917 B14R1.3405 CCC(=O)Nc1ccc(c(c1)C#N)O 527a_100011249283_100000210414 [0,0,0,0,0,1|3,0,0]=4 1918 B14R1.3405 CCC(=O)Nc1ccc(c(c1)CC)Br 11a_100010109747_100000210414 [0,0,0,0,0,1|3,0,0]=4 1919 B14R1.3405 CCC(=O)Nc1ccc(c(c1)CC)Br 1626a_100010109747_100000210414 [0,0,0,0,0,1|3,0,0]=4 1920 B14R1.3405 CCC(=O)Nc1ccc(c(c1)CC)Br 22a_100010109747_100000210414 [0,0,0,0,0,1|3,0,0]=4 1921 B14R1.3405 CCC(=O)Nc1ccc(c(c1)CC)Br 527a_100010109747_100000210414 [0,0,0,0,0,1|3,0,0]=4 1922 B14R1.3405 CCC(=O)Nc1ccc(c(c1)NC)C 34a_100000740061_200000210301 [0,0,0,0,0,1|3,0,0]=4 1923 B14R1.3405 CCC(=O)Nc1ccc(c(c1)NC)C 7a_100000740061_200000210301 [0,0,0,0,0,1|3,0,0]=4 1924 B14R1.3405 CCC(=O)Nc1ccc(c(c1)NC)F 34a_100011193610_200000210301 [0,0,0,0,0,1|3,0,0]=4 1925 B14R1.3405 CCC(=O)Nc1ccc(c(c1)N[13CH3])C 34a_100000740061_200025704644 [0,0,0,0,0,1|3,0,0]=4 1926 B14R1.3405 CCC(=O)Nc1ccc(c(c1)N[13CH3])C 7a_100000740061_200025704644 [0,0,0,0,0,1|3,0,0]=4 1927 B14R1.3405 CCC(=O)Nc1ccc(c(c1)N[13CH3])F 34a_100011193610_200025704644 [0,0,0,0,0,1|3,0,0]=4 1928 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Br 11a_100000765947_100000210414 [0,0,0,0,0,1|2,0,0]=3 1929 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Br 1626a_100000765947_100000210414 [0,0,0,0,0,1|2,0,0]=3 1930 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Br 22a_100000765947_100000210414 [0,0,0,0,0,1|2,0,0]=3 1931 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Br 527a_100000765947_100000210414 [0,0,0,0,0,1|2,0,0]=3 1932 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)C 11a_100011279678_100000210414 [0,0,0,0,0,1|2,0,0]=3 1933 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)C 1626a_100011279678_100000210414 [0,0,0,0,0,1|2,0,0]=3 1934 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)C 22a_100011279678_100000210414 [0,0,0,0,0,1|2,0,0]=3 1935 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)C 527a_100011279678_100000210414 [0,0,0,0,0,1|2,0,0]=3 1936 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Cl 11a_100000742311_100000210414 [0,0,0,0,0,1|2,0,0]=3 1937 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Cl 1626a_100000742311_100000210414 [0,0,0,0,0,1|2,0,0]=3 1938 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Cl 22a_100000742311_100000210414 [0,0,0,0,0,1|2,0,0]=3 1939 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Cl 527a_100000742311_100000210414 [0,0,0,0,0,1|2,0,0]=3 1940 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)F 11a_100000701188_100000210414 [0,0,0,0,0,1|2,0,0]=3 1941 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)F 1626a_100000701188_100000210414 [0,0,0,0,0,1|2,0,0]=3 1942 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)F 22a_100000701188_100000210414 [0,0,0,0,0,1|2,0,0]=3 1943 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)F 527a_100000701188_100000210414 [0,0,0,0,0,1|2,0,0]=3 1944 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)I 11a_100000746945_100000210414 [0,0,0,0,0,1|2,0,0]=3 1945 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)I 1626a_100000746945_100000210414 [0,0,0,0,0,1|2,0,0]=3 1946 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)I 22a_100000746945_100000210414 [0,0,0,0,0,1|2,0,0]=3 1947 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)I 527a_100000746945_100000210414 [0,0,0,0,0,1|2,0,0]=3 1948 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000210414 [0,0,0,0,0,1|1,0,0]=2 1949 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100000210414 [0,0,0,0,0,1|1,0,0]=2 1950 B14R1.3405 CCC(C)Nc1ccc(c(c1)OC)O 34a_100000726020_100011215416 [0,0,0,0,0,1|2,0,1]=4 1951 B14R1.3405 CCC(C)Sc1ccc(c(c1)OC)O 62a_100000758301_100000694246 [0,0,0,0,0,1|2,0,1]=4 1952 B14R1.3405 CCc1cc(ccc1Br)NC(=O)NC 2430a_100010109747_100102657272 [0,0,0,0,0,1|3,0,0]=4 1953 B14R1.3405 CCc1cc(ccc1O)SC(C)OC 62a_100009879195_100012338938 [0,0,0,0,0,1|2,0,1]=4 1954 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)Br 11a_106832991635_200010002685 [0,0,0,0,0,1|2,0,0]=3 1955 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)Br 240690a_100102657272_200010002685 [0,0,0,0,0,1|2,0,0]=3 1956 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)Br 527a_100102657272_200010002685 [0,0,0,0,0,1|2,0,0]=3 1957 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 11a_106832991635_100000117344 [0,0,0,0,0,1|2,0,0]=3 1958 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 1626a_100102657272_100000117344 [0,0,0,0,0,1|2,0,0]=3 1959 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 240690a_100102657272_100000117344 [0,0,0,0,0,1|2,0,0]=3 1960 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 527a_100102657272_100000117344 [0,0,0,0,0,1|2,0,0]=3 1961 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)O 240690a_100102657272_100000032101 [0,0,0,0,0,1|1,0,0]=2 1962 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)O 527a_100102657272_100000032101 [0,0,0,0,0,1|1,0,0]=2 1963 B14R1.3405 CNC(=O)Nc1ccc(c(c1)C#N)O 2430a_100011249283_100102657272 [0,0,0,0,0,1|3,0,0]=4 1964 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)Br 2430a_100000765947_100102657272 [0,0,0,0,0,1|2,0,0]=3 1965 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)C 2430a_100011279678_100102657272 [0,0,0,0,0,1|2,0,0]=3 1966 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)C 512a_100011279678_100102657272 [0,0,0,0,0,1|2,0,0]=3 1967 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)Cl 2430a_100000742311_100102657272 [0,0,0,0,0,1|2,0,0]=3 1968 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)F 2430a_100000701188_100102657272 [0,0,0,0,0,1|2,0,0]=3 1969 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)F 512a_100000701188_100102657272 [0,0,0,0,0,1|2,0,0]=3 1970 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)I 2430a_100000746945_100102657272 [0,0,0,0,0,1|2,0,0]=3 1971 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)I 512a_100000746945_100102657272 [0,0,0,0,0,1|2,0,0]=3 1972 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)O 2430a_100000726020_100102657272 [0,0,0,0,0,1|1,0,0]=2 1973 B14R1.3405 COC(=O)Cc1cc(c(cn1)C)SC 62a_100015669916_200000210301 [0,0,0,0,0,1|2,1,0]=4 1974 B14R1.3405 COC(=O)Cc1cc(c(cn1)C)SC 62a_200000210301_100015669916 [0,0,0,0,0,1|2,1,0]=4 1975 B14R1.3405 COC(=O)Cc1cc(c(cn1)C)S[13CH3] 62a_100015669916_200025704644 [0,0,0,0,0,1|2,1,0]=4 1976 B14R1.3405 COC(=O)Cc1cc(c(cn1)C)S[13CH3] 62a_200025704644_100015669916 [0,0,0,0,0,1|2,1,0]=4 1977 B14R1.3405 COC(=O)Cc1ccc(c(c1)OC)N 34a_200009957001_200000210301 [0,0,0,0,0,1|1,0,0]=2 1978 B14R1.3405 COC(=O)Cc1ccc(c(c1)O[13CH3])N 34a_200009957001_200025704644 [0,0,0,0,0,1|1,0,0]=2 1979 B14R1.3405 COC(=O)Cc1ccc(c(c1)SC)F 62a_100011435807_200000210301 [0,0,0,0,0,1|1,1,0]=3 1980 B14R1.3405 COC(=O)Cc1ccc(c(c1)SC)F 62a_200000210301_100011435807 [0,0,0,0,0,1|1,1,0]=3 1981 B14R1.3405 COC(=O)Cc1ccc(c(c1)SC)O 62a_100010222482_200000210301 [0,0,0,0,0,1|0,1,0]=2 1982 B14R1.3405 COC(=O)Cc1ccc(c(c1)SC)O 62a_200000210301_100010222482 [0,0,0,0,0,1|0,1,0]=2 1983 B14R1.3405 COC(=O)Cc1ccc(c(c1)S[13CH3])F 62a_100011435807_200025704644 [0,0,0,0,0,1|1,1,0]=3 1984 B14R1.3405 COC(=O)Cc1ccc(c(c1)S[13CH3])F 62a_200025704644_100011435807 [0,0,0,0,0,1|1,1,0]=3 1985 B14R1.3405 COC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010222482_200025704644 [0,0,0,0,0,1|0,1,0]=2 1986 B14R1.3405 COC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010222482 [0,0,0,0,0,1|0,1,0]=2 1987 B14R1.3405 COc1cc(ccc1Br)CC(=O)CF 1458a_200010002685_100015361967 [0,0,0,0,0,1|3,0,0]=4 1988 B14R1.3405 COc1cc(ccc1Br)CC(=O)CO 1458a_100000210174_100010110085 [0,0,0,0,0,1|3,0,0]=4 1989 B14R1.3405 COc1cc(ccc1Br)NC(=O)CO 22a_100000765947_100000210174 [0,0,0,0,0,1|3,0,0]=4 1990 B14R1.3405 COc1cc(ccc1Br)NC(=O)CO 527a_100000765947_100000210174 [0,0,0,0,0,1|3,0,0]=4 1991 B14R1.3405 COc1cc(ccc1Br)SC(C)OC 62a_100009879195_100012353699 [0,0,0,0,0,1|2,0,1]=4 1992 B14R1.3405 COc1cc(ccc1Br)SC(C)OC 62a_100012353699_100009879195 [0,0,0,0,0,1|2,0,1]=4 1993 B14R1.3405 COc1cc(ccc1C)NC(=O)CO 22a_100011279678_100000210174 [0,0,0,0,0,1|3,0,0]=4 1994 B14R1.3405 COc1cc(ccc1C)NC(=O)CO 527a_100011279678_100000210174 [0,0,0,0,0,1|3,0,0]=4 1995 B14R1.3405 COc1cc(ccc1C)SC(C)OC 62a_100009879195_100011830276 [0,0,0,0,0,1|2,0,1]=4 1996 B14R1.3405 COc1cc(ccc1C)SC(C)OC 62a_100011830276_100009879195 [0,0,0,0,0,1|2,0,1]=4 1997 B14R1.3405 COc1cc(ccc1Cl)CC(=O)CO 1458a_100000210174_200010214485 [0,0,0,0,0,1|3,0,0]=4 1998 B14R1.3405 COc1cc(ccc1Cl)NC(=O)CO 22a_100000742311_100000210174 [0,0,0,0,0,1|3,0,0]=4 1999 B14R1.3405 COc1cc(ccc1Cl)NC(=O)CO 527a_100000742311_100000210174 [0,0,0,0,0,1|3,0,0]=4 2000 B14R1.3405 COc1cc(ccc1Cl)SC(C)OC 62a_100009879195_100011356853 [0,0,0,0,0,1|2,0,1]=4 2001 B14R1.3405 COc1cc(ccc1Cl)SC(C)OC 62a_100011356853_100009879195 [0,0,0,0,0,1|2,0,1]=4 2002 B14R1.3405 COc1cc(ccc1F)CC(=O)CF 1458a_100000117344_100015361967 [0,0,0,0,0,1|3,0,0]=4 2003 B14R1.3405 COc1cc(ccc1F)CC(=O)CO 1458a_100000210174_100012349856 [0,0,0,0,0,1|3,0,0]=4 2004 B14R1.3405 COc1cc(ccc1F)NC(=O)CO 22a_100000701188_100000210174 [0,0,0,0,0,1|3,0,0]=4 2005 B14R1.3405 COc1cc(ccc1F)NC(=O)CO 527a_100000701188_100000210174 [0,0,0,0,0,1|3,0,0]=4 2006 B14R1.3405 COc1cc(ccc1F)SC(C)OC 62a_100009879195_100011934186 [0,0,0,0,0,1|2,0,1]=4 2007 B14R1.3405 COc1cc(ccc1F)SC(C)OC 62a_100011934186_100009879195 [0,0,0,0,0,1|2,0,1]=4 2008 B14R1.3405 COc1cc(ccc1I)NC(=O)CO 22a_100000746945_100000210174 [0,0,0,0,0,1|3,0,0]=4 2009 B14R1.3405 COc1cc(ccc1I)NC(=O)CO 527a_100000746945_100000210174 [0,0,0,0,0,1|3,0,0]=4 2010 B14R1.3405 COc1cc(ccc1N)SC(C)OC 62a_100009879195_100015196925 [0,0,0,0,0,1|2,0,1]=4 2011 B14R1.3405 COc1cc(ccc1N)SC(C)OC 62a_100011279103_100009879195 [0,0,0,0,0,1|2,0,1]=4 2012 B14R1.3405 COc1cc(ccc1O)CC(=O)CF 1458a_100000032101_100015361967 [0,0,0,0,0,1|2,0,0]=3 2013 B14R1.3405 COc1cc(ccc1O)NC(=O)CO 22a_100000726020_100000210174 [0,0,0,0,0,1|2,0,0]=3 2014 B14R1.3405 COc1cc(ccc1O)NC(=O)CO 527a_100000726020_100000210174 [0,0,0,0,0,1|2,0,0]=3 2015 B14R1.3405 COc1cc(ccc1O)SC(C)OC 62a_100009879195_100000694246 [0,0,0,0,0,1|1,0,1]=3 2016 B14R1.3405 COc1nc(ccc1O)SC(C)OC 62a_100009879195_100010893133 [0,0,0,0,0,1|2,0,1]=4 2017 B11R1.21 C=C(C)c1cc(c(cn1)O)C 271570a_100000694244_100000692680 [2,0,0,0,0,0|2,0,0]=4 2018 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [2,0,0,0,0,0|2,0,0]=4 2019 B11R1.21 C=C(C)c1ccc(c(c1)C)Br 271570a_100000694244_100009813585 [2,0,0,0,0,0|2,0,0]=4 2020 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [2,0,0,0,0,0|2,0,0]=4 2021 B11R1.21 C=C(C)c1ccc(c(c1)C)Cl 271570a_100000694244_100000049509 [2,0,0,0,0,0|2,0,0]=4 2022 B11R1.21 C=C(C)c1ccc(c(c1)C)F 271570a_100000694244_100011218330 [2,0,0,0,0,0|2,0,0]=4 2023 B11R1.21 C=C(C)c1ccc(c(c1)C)N 271570a_100000694244_100000211769 [2,0,0,0,0,0|2,0,0]=4 2024 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [2,0,0,0,0,0|1,0,0]=3 2025 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [2,0,0,0,0,0|2,0,0]=4 2026 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [2,0,0,0,0,0|2,0,0]=4 2027 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [2,0,0,0,0,0|2,0,0]=4 2028 B11R1.21 C=C(C)c1ccc(c(c1)O)Br 271570a_100000694244_100012356990 [2,0,0,0,0,0|2,0,0]=4 2029 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [2,0,0,0,0,0|2,0,0]=4 2030 B11R1.21 C=C(C)c1ccc(c(c1)O)Cl 271570a_100000694244_100011356854 [2,0,0,0,0,0|2,0,0]=4 2031 B11R1.21 C=C(C)c1ccc(c(c1)O)F 271570a_100000694244_100000686035 [2,0,0,0,0,0|2,0,0]=4 2032 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [2,0,0,0,0,0|2,0,0]=4 2033 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [2,0,0,0,0,0|1,0,0]=3 2034 B11R1.21 C=C(C)c1ccc(c(n1)C)O 271570a_100000694244_100010233687 [2,0,0,0,0,0|2,0,0]=4 2035 B11R1.21 C=C(C)c1cnc(c(c1)C)O 271570a_100000694244_100000685391 [2,0,0,0,0,0|2,0,0]=4 2036 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [2,0,0,0,0,0|1,0,0]=3 2037 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [2,0,0,0,0,0|2,0,0]=4 2038 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [2,0,0,0,0,0|2,0,0]=4 2039 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [2,0,0,0,0,0|2,0,0]=4 2040 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [2,0,0,0,0,0|2,0,0]=4 2041 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [2,0,0,0,0,0|2,0,0]=4 2042 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [2,0,0,0,0,0|1,0,0]=3 2043 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [2,0,0,0,0,0|1,0,0]=3 2044 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [2,0,0,0,0,0|1,0,0]=3 2045 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [2,0,0,0,0,0|1,0,0]=3 2046 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [2,0,0,0,0,0|1,0,0]=3 2047 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [2,0,0,0,0,0|1,0,0]=3 2048 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [2,0,0,0,0,0|1,0,0]=3 2049 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [2,0,0,0,0,0|0,0,0]=2 2050 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [2,0,0,0,0,0|0,0,0]=2 2051 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [2,0,0,0,0,0|2,0,0]=4 2052 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [2,0,0,0,0,0|2,0,0]=4 2053 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [2,0,0,0,0,0|2,0,0]=4 2054 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [2,0,0,0,0,0|2,0,0]=4 2055 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [2,0,0,0,0,0|2,0,0]=4 2056 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [2,0,0,0,0,0|1,0,0]=3 2057 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [2,0,0,0,0,0|2,0,0]=4 2058 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [2,0,0,0,0,0|2,0,0]=4 2059 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [2,0,0,0,0,0|2,0,0]=4 2060 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [2,0,0,0,0,0|2,0,0]=4 2061 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [2,0,0,0,0,0|2,0,0]=4 2062 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [2,0,0,0,0,0|1,0,0]=3 2063 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [2,0,0,0,0,0|1,0,0]=3 2064 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [2,0,0,0,0,0|2,0,0]=4 2065 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [2,0,0,0,0,0|2,0,0]=4 2066 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [2,0,0,0,0,0|2,0,0]=4 2067 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [2,0,0,0,0,0|2,0,0]=4 2068 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [2,0,0,0,0,0|2,0,0]=4 2069 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [2,0,0,0,0,0|1,0,0]=3 2070 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [2,0,0,0,0,0|1,0,0]=3 2071 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [2,0,0,0,0,0|1,0,0]=3 2072 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [2,0,0,0,0,0|1,0,0]=3 2073 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [2,0,0,0,0,0|1,0,0]=3 2074 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [2,0,0,0,0,0|1,0,0]=3 2075 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [2,0,0,0,0,0|1,0,0]=3 2076 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [2,0,0,0,0,0|1,0,0]=3 2077 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [2,0,0,0,0,0|1,0,0]=3 2078 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [2,0,0,0,0,0|1,0,0]=3 2079 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [2,0,0,0,0,0|1,0,0]=3 2080 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [2,0,0,0,0,0|0,0,0]=2 2081 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [2,0,0,0,0,0|0,0,0]=2 2082 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [2,0,0,0,0,0|1,0,0]=3 2083 B11R1.21 CC(=O)c1cnc(c(c1)O)F 271570a_203496583355_200010135287 [2,0,0,0,0,0|2,0,0]=4 2084 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [2,0,0,0,0,0|1,0,0]=3 2085 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [2,0,0,0,0,0|1,0,0]=3 2086 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [2,0,0,0,0,0|1,0,0]=3 2087 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [2,0,0,0,0,0|1,0,0]=3 2088 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [2,0,0,0,0,0|1,0,1]=4 2089 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [2,0,0,0,0,0|1,0,0]=3 2090 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [2,0,0,0,0,0|0,0,0]=2 2091 B11R1.21 Cc1cc(ccc1O)N(C)C 271570a_203496583355_100011934168 [2,0,0,0,0,0|2,0,0]=4 2092 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [2,0,0,0,0,0|2,0,0]=4 2093 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [2,0,0,0,0,0|1,0,0]=3 2094 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [2,0,0,0,0,0|2,0,0]=4 2095 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [2,0,0,0,0,0|2,0,0]=4 2096 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [2,0,0,0,0,0|2,0,0]=4 2097 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [2,0,0,0,0,0|2,0,0]=4 2098 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [2,0,0,0,0,0|1,0,0]=3 2099 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [2,0,0,0,0,0|2,0,0]=4 2100 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [2,0,0,0,0,0|2,0,0]=4 2101 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [2,0,0,0,0,0|2,0,0]=4 2102 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [2,0,0,0,0,0|1,0,0]=3 2103 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [2,0,0,0,0,0|2,0,0]=4 2104 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [2,0,0,0,0,0|2,0,0]=4 2105 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [2,0,0,0,0,0|2,0,0]=4 2106 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [2,0,0,0,0,0|2,0,0]=4 2107 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [2,0,0,0,0,0|1,0,0]=3 2108 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [2,0,0,0,0,0|2,0,0]=4 2109 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [2,0,0,0,0,0|2,0,0]=4 2110 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [2,0,0,0,0,0|2,0,0]=4 2111 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [2,0,0,0,0,0|2,0,0]=4 2112 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [2,0,0,0,0,0|1,0,0]=3 2113 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [2,0,0,0,0,0|2,0,0]=4 2114 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [2,0,0,0,0,0|2,0,0]=4 2115 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [2,0,0,0,0,0|2,0,0]=4 2116 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [2,0,0,0,0,0|2,0,0]=4 2117 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [2,0,0,0,0,0|1,0,0]=3 2118 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [2,0,0,0,0,0|2,0,0]=4 2119 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [2,0,0,0,0,0|2,0,0]=4 2120 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [2,0,0,0,0,0|2,0,0]=4 2121 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [2,0,0,0,0,0|2,0,0]=4 2122 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [2,0,0,0,0,0|1,0,0]=3 2123 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [2,0,0,0,0,0|1,0,0]=3 2124 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [2,0,0,0,0,0|1,0,0]=3 2125 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [2,0,0,0,0,0|1,0,0]=3 2126 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [2,0,0,0,0,0|1,0,0]=3 2127 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [2,0,0,0,0,0|0,0,0]=2 2128 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [2,0,0,0,0,0|1,0,1]=4 2129 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [2,0,0,0,0,0|1,0,1]=4 2130 B11R1.266 C=C(C)c1cc(ccn1)OC 271570a_100000694244_100011216251 [2,0,0,0,0,0|2,0,0]=4 2131 B11R1.266 C=C(C)c1cccc(c1)CC 271570a_100000694244_100000684523 [2,0,0,0,0,0|2,0,0]=4 2132 B11R1.266 C=C(C)c1cccc(c1)NC 271570a_100000694244_100000219648 [2,0,0,0,0,0|2,0,0]=4 2133 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [2,0,0,0,0,0|1,0,0]=3 2134 B11R1.266 C=C(C)c1cccc(c1)SC 271570a_100000694244_100011215954 [2,0,0,0,0,0|1,1,0]=4 2135 B11R1.266 C=C(C)c1cccc(c1)SC 62a_100012123953_200000210301 [2,0,0,0,0,0|1,1,0]=4 2136 B11R1.266 C=C(C)c1cccc(c1)SC 62a_200000210301_100012123953 [2,0,0,0,0,0|1,1,0]=4 2137 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_100012123953_200025704644 [2,0,0,0,0,0|1,1,0]=4 2138 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_200025704644_100012123953 [2,0,0,0,0,0|1,1,0]=4 2139 B11R1.266 C=C(C)c1cccc(n1)OC 271570a_100000694244_100000760917 [2,0,0,0,0,0|2,0,0]=4 2140 B11R1.266 C=C(C)c1ccnc(c1)OC 271570a_100000694244_100000117307 [2,0,0,0,0,0|2,0,0]=4 2141 B11R1.266 C=C(C)c1cncc(c1)OC 271570a_100000694244_100000684773 [2,0,0,0,0,0|2,0,0]=4 2142 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [2,0,0,0,0,0|1,0,1]=4 2143 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [2,0,0,0,0,0|1,0,1]=4 2144 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [2,0,0,0,0,0|1,0,1]=4 2145 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [2,0,0,0,0,0|1,1,0]=4 2146 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [2,0,0,0,0,0|1,1,0]=4 2147 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [2,0,0,0,0,0|2,0,0]=4 2148 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [2,0,0,0,0,0|2,0,0]=4 2149 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [2,0,0,0,0,0|0,0,0]=2 2150 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [2,0,0,0,0,0|0,0,0]=2 2151 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [2,0,0,0,0,0|0,1,0]=3 2152 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [2,0,0,0,0,0|0,1,0]=3 2153 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_100009816502_200025704644 [2,0,0,0,0,0|1,1,0]=4 2154 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100009816502 [2,0,0,0,0,0|1,1,0]=4 2155 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_100000685609_200025704644 [2,0,0,0,0,0|1,1,0]=4 2156 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000685609 [2,0,0,0,0,0|1,1,0]=4 2157 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [2,0,0,0,0,0|1,1,0]=4 2158 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [2,0,0,0,0,0|1,1,0]=4 2159 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 34a_100000211816_200025704644 [2,0,0,0,0,0|1,0,1]=4 2160 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 7a_100000211816_200025704644 [2,0,0,0,0,0|1,0,1]=4 2161 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 34a_100000740644_200025704644 [2,0,0,0,0,0|1,0,1]=4 2162 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 7a_100000740644_200025704644 [2,0,0,0,0,0|1,0,1]=4 2163 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 34a_100000748013_200025704644 [2,0,0,0,0,0|0,0,2]=4 2164 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 7a_100000748013_200025704644 [2,0,0,0,0,0|0,0,2]=4 2165 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [2,0,0,0,0,0|1,0,0]=3 2166 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [2,0,0,0,0,0|1,0,0]=3 2167 B11R1.266 CN(C)c1cccc(c1)O[13CH3] 34a_100000738785_200025704644 [2,0,0,0,0,0|2,0,0]=4 2168 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [2,0,0,0,0,0|2,0,0]=4 2169 B11R1.266 CNc1cccc(n1)C(=O)C 27a_100102657272_100000085735 [2,0,0,0,0,0|2,0,0]=4 2170 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [2,0,0,0,0,0|0,0,0]=2 2171 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [2,0,0,0,0,0|0,0,0]=2 2172 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [2,0,0,0,0,0|0,0,0]=2 2173 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [2,0,0,0,0,0|1,0,0]=3 2174 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [2,0,0,0,0,0|1,0,0]=3 2175 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [2,0,0,0,0,0|0,0,0]=2 2176 B11R1.266 COc1cccc(c1)C(=S)N 7a_100000738086_200000210301 [2,0,0,0,0,0|1,1,0]=4 2177 B11R1.266 COc1cccc(c1)C(C)C 34a_100000211816_200000210301 [2,0,0,0,0,0|1,0,1]=4 2178 B11R1.266 COc1cccc(c1)C(C)C 7a_100000211816_200000210301 [2,0,0,0,0,0|1,0,1]=4 2179 B11R1.266 COc1cccc(c1)C(C)N 34a_100000740644_200000210301 [2,0,0,0,0,0|1,0,1]=4 2180 B11R1.266 COc1cccc(c1)C(C)N 7a_100000740644_200000210301 [2,0,0,0,0,0|1,0,1]=4 2181 B11R1.266 COc1cccc(c1)C(C)O 34a_100000748013_200000210301 [2,0,0,0,0,0|0,0,2]=4 2182 B11R1.266 COc1cccc(c1)C(C)O 7a_100000748013_200000210301 [2,0,0,0,0,0|0,0,2]=4 2183 B11R1.266 COc1cccc(c1)N(C)C 2230a_100000219725_200000210301 [2,0,0,0,0,0|2,0,0]=4 2184 B11R1.266 COc1cccc(c1)N(C)C 269982a_100000219725_200000210301 [2,0,0,0,0,0|2,0,0]=4 2185 B11R1.266 COc1cccc(c1)N(C)C 34a_100000219725_200000210301 [2,0,0,0,0,0|2,0,0]=4 2186 B11R1.266 COc1cccc(c1)N(C)C 34a_100000738785_200000210301 [2,0,0,0,0,0|2,0,0]=4 2187 B11R1.266 COc1cccc(c1)N(C)[13CH3] 2230a_100000219725_200025704644 [2,0,0,0,0,0|2,0,0]=4 2188 B11R1.266 COc1cccc(c1)N(C)[13CH3] 269982a_100000219725_200025704644 [2,0,0,0,0,0|2,0,0]=4 2189 B11R1.266 COc1cccc(c1)N(C)[13CH3] 34a_100000219725_200025704644 [2,0,0,0,0,0|2,0,0]=4 2190 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [2,0,0,0,0,0|1,0,1]=4 2191 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [2,0,0,0,0,0|1,0,1]=4 2192 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [2,0,0,0,0,0|2,0,0]=4 2193 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_100009816267_200025704644 [2,0,0,0,0,0|1,1,0]=4 2194 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009816267 [2,0,0,0,0,0|1,1,0]=4 2195 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_100000685609_200000210301 [2,0,0,0,0,0|1,1,0]=4 2196 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_200000210301_100000685609 [2,0,0,0,0,0|1,1,0]=4 2197 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [2,0,0,0,0,0|0,1,0]=3 2198 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [2,0,0,0,0,0|0,1,0]=3 2199 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [2,0,0,0,0,0|0,1,0]=3 2200 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [2,0,0,0,0,0|1,1,0]=4 2201 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [2,0,0,0,0,0|1,1,0]=4 2202 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [2,0,0,0,0,0|0,1,0]=3 2203 B11R1.266 CSc1cccc(c1)S(=O)C 62a_100009816267_200000210301 [2,0,0,0,0,0|1,1,0]=4 2204 B11R1.266 CSc1cccc(c1)S(=O)C 62a_200000210301_100009816267 [2,0,0,0,0,0|1,1,0]=4 2205 B11R1.266 CSc1cccc(n1)C(=O)C 62a_100009816502_200000210301 [2,0,0,0,0,0|1,1,0]=4 2206 B11R1.266 CSc1cccc(n1)C(=O)C 62a_200000210301_100009816502 [2,0,0,0,0,0|1,1,0]=4 2207 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [2,0,0,0,0,0|1,1,0]=4 2208 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [2,0,0,0,0,0|1,1,0]=4 2209 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [2,0,0,0,0,0|1,1,0]=4 2210 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [2,0,0,0,0,0|1,1,0]=4 2211 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [2,0,0,0,0,0|2,0,0]=4 2212 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [2,0,0,0,0,0|2,0,0]=4 2213 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [2,0,0,0,0,0|2,0,0]=4 2214 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [2,0,0,0,0,0|1,0,0]=3 2215 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [2,0,0,0,0,0|1,0,0]=3 2216 B11R1.266 [13CH3]Oc1cccc(c1)C(=S)N 7a_100000738086_200025704644 [2,0,0,0,0,0|1,1,0]=4 2217 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [2,0,0,0,0,0|1,0,1]=4 2218 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [2,0,0,0,0,0|1,0,1]=4 2219 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [2,0,0,0,0,0|2,0,0]=4 2220 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [2,0,0,0,0,0|1,1,0]=4 2221 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [2,0,0,0,0,0|1,1,0]=4 2222 B11R1.280 C=Cc1cc(ccc1O)C=O 271570a_100011290941_100000184552 [2,0,0,0,0,0|1,0,1]=4 2223 B11R1.280 C=Cc1cc(ccc1O)OC 271570a_100011290941_100000685887 [2,0,0,0,0,0|1,0,1]=4 2224 B11R1.280 C=Cc1ccc(c(c1)CC)O 271570a_100011290941_100012338938 [2,0,0,0,0,0|1,0,1]=4 2225 B11R1.280 C=Cc1ccc(c(c1)OC)Br 271570a_100011290941_100012353699 [2,0,0,0,0,0|1,0,1]=4 2226 B11R1.280 C=Cc1ccc(c(c1)OC)C 271570a_100011290941_100011830276 [2,0,0,0,0,0|1,0,1]=4 2227 B11R1.280 C=Cc1ccc(c(c1)OC)Cl 271570a_100011290941_100011356853 [2,0,0,0,0,0|1,0,1]=4 2228 B11R1.280 C=Cc1ccc(c(c1)OC)F 271570a_100011290941_100011934186 [2,0,0,0,0,0|1,0,1]=4 2229 B11R1.280 C=Cc1ccc(c(c1)OC)N 271570a_100011290941_100011279103 [2,0,0,0,0,0|1,0,1]=4 2230 B11R1.280 C=Cc1ccc(c(c1)OC)O 271570a_100011290941_100000694246 [2,0,0,0,0,0|0,0,1]=3 2231 B11R1.280 C=Cc1ccc(c(n1)OC)O 271570a_100011290941_100010893133 [2,0,0,0,0,0|1,0,1]=4 2232 B11R1.280 CCc1cc(ccc1Cl)OC 34a_100000212063_200000210301 [2,0,0,0,0,0|2,0,0]=4 2233 B11R1.280 CCc1cc(ccc1Cl)OC 7a_100000212063_200000210301 [2,0,0,0,0,0|2,0,0]=4 2234 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 34a_100000212063_200025704644 [2,0,0,0,0,0|2,0,0]=4 2235 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 7a_100000212063_200025704644 [2,0,0,0,0,0|2,0,0]=4 2236 B11R1.280 CCc1cc(ccc1O)OC 271570a_203496583355_100000720562 [2,0,0,0,0,0|1,0,0]=3 2237 B11R1.280 CCc1cc(ccc1O)SC 62a_200000210301_100012338938 [2,0,0,0,0,0|1,1,0]=4 2238 B11R1.280 CCc1cc(ccc1O)S[13CH3] 62a_200025704644_100012338938 [2,0,0,0,0,0|1,1,0]=4 2239 B11R1.280 CCc1ccc(c(c1)NC)O 34a_100000765835_200000210301 [2,0,0,0,0,0|1,0,1]=4 2240 B11R1.280 CCc1ccc(c(c1)N[13CH3])O 34a_100000765835_200025704644 [2,0,0,0,0,0|1,0,1]=4 2241 B11R1.280 CCc1ccc(c(c1)OC)N 34a_100000124328_200000210301 [2,0,0,0,0,0|1,0,1]=4 2242 B11R1.280 CCc1ccc(c(c1)OC)N 7a_100000124328_200000210301 [2,0,0,0,0,0|1,0,1]=4 2243 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [2,0,0,0,0,0|0,0,1]=3 2244 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 34a_100000124328_200025704644 [2,0,0,0,0,0|1,0,1]=4 2245 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 7a_100000124328_200025704644 [2,0,0,0,0,0|1,0,1]=4 2246 B11R1.280 CCc1ccc(c(c1)SC)O 62a_100012339963_200000210301 [2,0,0,0,0,0|0,1,1]=4 2247 B11R1.280 CCc1ccc(c(c1)SC)O 62a_200000210301_100012339963 [2,0,0,0,0,0|0,1,1]=4 2248 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_100012339963_200025704644 [2,0,0,0,0,0|0,1,1]=4 2249 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_200025704644_100012339963 [2,0,0,0,0,0|0,1,1]=4 2250 B11R1.280 CNc1cc(ccc1Br)OC 34a_100000748603_200000210301 [2,0,0,0,0,0|2,0,0]=4 2251 B11R1.280 CNc1cc(ccc1C)OC 2230a_100000760359_200000210301 [2,0,0,0,0,0|2,0,0]=4 2252 B11R1.280 CNc1cc(ccc1C)OC 34a_100000760359_200000210301 [2,0,0,0,0,0|2,0,0]=4 2253 B11R1.280 CNc1cc(ccc1Cl)OC 34a_100000745576_200000210301 [2,0,0,0,0,0|2,0,0]=4 2254 B11R1.280 CNc1cc(ccc1F)OC 34a_100000764331_200000210301 [2,0,0,0,0,0|2,0,0]=4 2255 B11R1.280 CNc1cc(ccc1I)OC 34a_100000748021_200000210301 [2,0,0,0,0,0|2,0,0]=4 2256 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [2,0,0,0,0,0|1,0,1]=4 2257 B11R1.280 CNc1cc(ccc1O)OC 34a_100000188146_200000210301 [2,0,0,0,0,0|1,0,0]=3 2258 B11R1.280 CNc1ccc(c(c1)OC)Br 2230a_100000765947_200000210301 [2,0,0,0,0,0|2,0,0]=4 2259 B11R1.280 CNc1ccc(c(c1)OC)Br 34a_100000765947_200000210301 [2,0,0,0,0,0|2,0,0]=4 2260 B11R1.280 CNc1ccc(c(c1)OC)C 2230a_100011279678_200000210301 [2,0,0,0,0,0|2,0,0]=4 2261 B11R1.280 CNc1ccc(c(c1)OC)C 34a_100011279678_200000210301 [2,0,0,0,0,0|2,0,0]=4 2262 B11R1.280 CNc1ccc(c(c1)OC)Cl 2230a_100000742311_200000210301 [2,0,0,0,0,0|2,0,0]=4 2263 B11R1.280 CNc1ccc(c(c1)OC)Cl 34a_100000742311_200000210301 [2,0,0,0,0,0|2,0,0]=4 2264 B11R1.280 CNc1ccc(c(c1)OC)F 2230a_100000701188_200000210301 [2,0,0,0,0,0|2,0,0]=4 2265 B11R1.280 CNc1ccc(c(c1)OC)F 34a_100000701188_200000210301 [2,0,0,0,0,0|2,0,0]=4 2266 B11R1.280 CNc1ccc(c(c1)OC)I 34a_100000746945_200000210301 [2,0,0,0,0,0|2,0,0]=4 2267 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [2,0,0,0,0,0|1,0,0]=3 2268 B11R1.280 COc1cc(c(cn1)Br)OC 34a_100010738159_200000210301 [2,0,0,0,0,0|2,0,0]=4 2269 B11R1.280 COc1cc(c(cn1)Br)O[13CH3] 34a_100010738159_200025704644 [2,0,0,0,0,0|2,0,0]=4 2270 B11R1.280 COc1cc(c(cn1)O)OC 271570a_203496583355_100010191559 [2,0,0,0,0,0|1,0,0]=3 2271 B11R1.280 COc1cc(ccc1Br)CO 34a_100010191536_200000210301 [2,0,0,0,0,0|1,0,1]=4 2272 B11R1.280 COc1cc(ccc1Br)CO 7a_100010191536_200000210301 [2,0,0,0,0,0|1,0,1]=4 2273 B11R1.280 COc1cc(ccc1Br)N[13CH3] 2230a_100000765947_200025704644 [2,0,0,0,0,0|2,0,0]=4 2274 B11R1.280 COc1cc(ccc1Br)N[13CH3] 34a_100000765947_200025704644 [2,0,0,0,0,0|2,0,0]=4 2275 B11R1.280 COc1cc(ccc1Br)O[13CH3] 34a_100011827694_200025704644 [2,0,0,0,0,0|1,0,0]=3 2276 B11R1.280 COc1cc(ccc1Br)O[13CH3] 7a_100011827694_200025704644 [2,0,0,0,0,0|1,0,0]=3 2277 B11R1.280 COc1cc(ccc1Br)SC 62a_100012353699_200000210301 [2,0,0,0,0,0|1,1,0]=4 2278 B11R1.280 COc1cc(ccc1Br)SC 62a_200000210301_100012353699 [2,0,0,0,0,0|1,1,0]=4 2279 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_100012353699_200025704644 [2,0,0,0,0,0|1,1,0]=4 2280 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_200025704644_100012353699 [2,0,0,0,0,0|1,1,0]=4 2281 B11R1.280 COc1cc(ccc1C)N[13CH3] 2230a_100011279678_200025704644 [2,0,0,0,0,0|2,0,0]=4 2282 B11R1.280 COc1cc(ccc1C)N[13CH3] 34a_100011279678_200025704644 [2,0,0,0,0,0|2,0,0]=4 2283 B11R1.280 COc1cc(ccc1C)O[13CH3] 34a_100009865632_200025704644 [2,0,0,0,0,0|1,0,0]=3 2284 B11R1.280 COc1cc(ccc1C)O[13CH3] 7a_100009865632_200025704644 [2,0,0,0,0,0|1,0,0]=3 2285 B11R1.280 COc1cc(ccc1C)SC 62a_100011830276_200000210301 [2,0,0,0,0,0|1,1,0]=4 2286 B11R1.280 COc1cc(ccc1C)SC 62a_200000210301_100011830276 [2,0,0,0,0,0|1,1,0]=4 2287 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_100011830276_200025704644 [2,0,0,0,0,0|1,1,0]=4 2288 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_200025704644_100011830276 [2,0,0,0,0,0|1,1,0]=4 2289 B11R1.280 COc1cc(ccc1Cl)CO 34a_100009876509_200000210301 [2,0,0,0,0,0|1,0,1]=4 2290 B11R1.280 COc1cc(ccc1Cl)CO 7a_100009876509_200000210301 [2,0,0,0,0,0|1,0,1]=4 2291 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 2230a_100000742311_200025704644 [2,0,0,0,0,0|2,0,0]=4 2292 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 34a_100000742311_200025704644 [2,0,0,0,0,0|2,0,0]=4 2293 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 34a_100012186310_200025704644 [2,0,0,0,0,0|1,0,0]=3 2294 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 7a_100012186310_200025704644 [2,0,0,0,0,0|1,0,0]=3 2295 B11R1.280 COc1cc(ccc1Cl)SC 62a_100011356853_200000210301 [2,0,0,0,0,0|1,1,0]=4 2296 B11R1.280 COc1cc(ccc1Cl)SC 62a_200000210301_100011356853 [2,0,0,0,0,0|1,1,0]=4 2297 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_100011356853_200025704644 [2,0,0,0,0,0|1,1,0]=4 2298 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100011356853 [2,0,0,0,0,0|1,1,0]=4 2299 B11R1.280 COc1cc(ccc1F)CO 34a_100009842347_200000210301 [2,0,0,0,0,0|1,0,1]=4 2300 B11R1.280 COc1cc(ccc1F)CO 7a_100009842347_200000210301 [2,0,0,0,0,0|1,0,1]=4 2301 B11R1.280 COc1cc(ccc1F)N[13CH3] 2230a_100000701188_200025704644 [2,0,0,0,0,0|2,0,0]=4 2302 B11R1.280 COc1cc(ccc1F)N[13CH3] 34a_100000701188_200025704644 [2,0,0,0,0,0|2,0,0]=4 2303 B11R1.280 COc1cc(ccc1F)O[13CH3] 34a_100012001760_200025704644 [2,0,0,0,0,0|1,0,0]=3 2304 B11R1.280 COc1cc(ccc1F)O[13CH3] 7a_100012001760_200025704644 [2,0,0,0,0,0|1,0,0]=3 2305 B11R1.280 COc1cc(ccc1F)SC 62a_100011934186_200000210301 [2,0,0,0,0,0|1,1,0]=4 2306 B11R1.280 COc1cc(ccc1F)SC 62a_200000210301_100011934186 [2,0,0,0,0,0|1,1,0]=4 2307 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_100011934186_200025704644 [2,0,0,0,0,0|1,1,0]=4 2308 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_200025704644_100011934186 [2,0,0,0,0,0|1,1,0]=4 2309 B11R1.280 COc1cc(ccc1I)CO 34a_100000049605_200000210301 [2,0,0,0,0,0|1,0,1]=4 2310 B11R1.280 COc1cc(ccc1I)CO 7a_100000049605_200000210301 [2,0,0,0,0,0|1,0,1]=4 2311 B11R1.280 COc1cc(ccc1I)N[13CH3] 34a_100000746945_200025704644 [2,0,0,0,0,0|2,0,0]=4 2312 B11R1.280 COc1cc(ccc1N)O[13CH3] 34a_100015326901_200025704644 [2,0,0,0,0,0|1,0,0]=3 2313 B11R1.280 COc1cc(ccc1N)O[13CH3] 7a_100015326901_200025704644 [2,0,0,0,0,0|1,0,0]=3 2314 B11R1.280 COc1cc(ccc1N)SC 62a_100011279103_200000210301 [2,0,0,0,0,0|1,1,0]=4 2315 B11R1.280 COc1cc(ccc1N)SC 62a_200000210301_100015196925 [2,0,0,0,0,0|1,1,0]=4 2316 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_100011279103_200025704644 [2,0,0,0,0,0|1,1,0]=4 2317 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_200025704644_100015196925 [2,0,0,0,0,0|1,1,0]=4 2318 B11R1.280 COc1cc(ccc1O)C#N 271570a_203496583355_100012356288 [2,0,0,0,0,0|1,0,1]=4 2319 B11R1.280 COc1cc(ccc1O)C=O 271570a_203496583355_100010244714 [2,0,0,0,0,0|0,0,0]=2 2320 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [2,0,0,0,0,0|0,0,1]=3 2321 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [2,0,0,0,0,0|1,0,0]=3 2322 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [2,0,0,0,0,0|0,1,0]=3 2323 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [2,0,0,0,0,0|0,1,0]=3 2324 B11R1.280 COc1cc(ncc1O)CO 271570a_203496583355_100010999569 [2,0,0,0,0,0|1,0,1]=4 2325 B11R1.280 COc1ccc(c(c1)C#N)O 271570a_203496583355_100000748272 [2,0,0,0,0,0|2,0,0]=4 2326 B11R1.280 COc1ccc(c(c1)C=O)O 271570a_203496583355_100000691568 [2,0,0,0,0,0|2,0,0]=4 2327 B11R1.280 COc1ccc(c(c1)CN)O 271570a_203496583355_100000741592 [2,0,0,0,0,0|2,0,0]=4 2328 B11R1.280 COc1ccc(c(c1)CO)O 271570a_203496583355_200011273942 [2,0,0,0,0,0|2,0,0]=4 2329 B11R1.280 COc1ccc(c(c1)N[13CH3])Br 34a_100000748603_200025704644 [2,0,0,0,0,0|2,0,0]=4 2330 B11R1.280 COc1ccc(c(c1)N[13CH3])C 2230a_100000760359_200025704644 [2,0,0,0,0,0|2,0,0]=4 2331 B11R1.280 COc1ccc(c(c1)N[13CH3])C 34a_100000760359_200025704644 [2,0,0,0,0,0|2,0,0]=4 2332 B11R1.280 COc1ccc(c(c1)N[13CH3])Cl 34a_100000745576_200025704644 [2,0,0,0,0,0|2,0,0]=4 2333 B11R1.280 COc1ccc(c(c1)N[13CH3])F 34a_100000764331_200025704644 [2,0,0,0,0,0|2,0,0]=4 2334 B11R1.280 COc1ccc(c(c1)N[13CH3])I 34a_100000748021_200025704644 [2,0,0,0,0,0|2,0,0]=4 2335 B11R1.280 COc1ccc(c(c1)N[13CH3])O 34a_100000188146_200025704644 [2,0,0,0,0,0|1,0,0]=3 2336 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100000719091_200000210301 [2,0,0,0,0,0|1,0,0]=3 2337 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100011827694_200000210301 [2,0,0,0,0,0|1,0,0]=3 2338 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100000719091_200000210301 [2,0,0,0,0,0|1,0,0]=3 2339 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100011827694_200000210301 [2,0,0,0,0,0|1,0,0]=3 2340 B11R1.280 COc1ccc(c(c1)OC)C 34a_100009865632_200000210301 [2,0,0,0,0,0|1,0,0]=3 2341 B11R1.280 COc1ccc(c(c1)OC)C 34a_100012179981_200000210301 [2,0,0,0,0,0|1,0,0]=3 2342 B11R1.280 COc1ccc(c(c1)OC)C 7a_100009865632_200000210301 [2,0,0,0,0,0|1,0,0]=3 2343 B11R1.280 COc1ccc(c(c1)OC)C 7a_100012179981_200000210301 [2,0,0,0,0,0|1,0,0]=3 2344 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100011516019_200000210301 [2,0,0,0,0,0|1,0,0]=3 2345 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100012186310_200000210301 [2,0,0,0,0,0|1,0,0]=3 2346 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100011516019_200000210301 [2,0,0,0,0,0|1,0,0]=3 2347 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100012186310_200000210301 [2,0,0,0,0,0|1,0,0]=3 2348 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012001760_200000210301 [2,0,0,0,0,0|1,0,0]=3 2349 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012178750_200000210301 [2,0,0,0,0,0|1,0,0]=3 2350 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012001760_200000210301 [2,0,0,0,0,0|1,0,0]=3 2351 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012178750_200000210301 [2,0,0,0,0,0|1,0,0]=3 2352 B11R1.280 COc1ccc(c(c1)OC)I 34a_100010168831_200000210301 [2,0,0,0,0,0|1,0,0]=3 2353 B11R1.280 COc1ccc(c(c1)OC)I 7a_100010168831_200000210301 [2,0,0,0,0,0|1,0,0]=3 2354 B11R1.280 COc1ccc(c(c1)OC)N 34a_100015326901_200000210301 [2,0,0,0,0,0|1,0,0]=3 2355 B11R1.280 COc1ccc(c(c1)OC)N 34a_100016989039_200000210301 [2,0,0,0,0,0|1,0,0]=3 2356 B11R1.280 COc1ccc(c(c1)OC)N 7a_100015326901_200000210301 [2,0,0,0,0,0|1,0,0]=3 2357 B11R1.280 COc1ccc(c(c1)OC)N 7a_100016989039_200000210301 [2,0,0,0,0,0|1,0,0]=3 2358 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [2,0,0,0,0,0|0,0,0]=2 2359 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 34a_100000719091_200025704644 [2,0,0,0,0,0|1,0,0]=3 2360 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 7a_100000719091_200025704644 [2,0,0,0,0,0|1,0,0]=3 2361 B11R1.280 COc1ccc(c(c1)O[13CH3])C 34a_100012179981_200025704644 [2,0,0,0,0,0|1,0,0]=3 2362 B11R1.280 COc1ccc(c(c1)O[13CH3])C 7a_100012179981_200025704644 [2,0,0,0,0,0|1,0,0]=3 2363 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 34a_100011516019_200025704644 [2,0,0,0,0,0|1,0,0]=3 2364 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 7a_100011516019_200025704644 [2,0,0,0,0,0|1,0,0]=3 2365 B11R1.280 COc1ccc(c(c1)O[13CH3])F 34a_100012178750_200025704644 [2,0,0,0,0,0|1,0,0]=3 2366 B11R1.280 COc1ccc(c(c1)O[13CH3])F 7a_100012178750_200025704644 [2,0,0,0,0,0|1,0,0]=3 2367 B11R1.280 COc1ccc(c(c1)O[13CH3])I 34a_100010168831_200025704644 [2,0,0,0,0,0|1,0,0]=3 2368 B11R1.280 COc1ccc(c(c1)O[13CH3])I 7a_100010168831_200025704644 [2,0,0,0,0,0|1,0,0]=3 2369 B11R1.280 COc1ccc(c(c1)O[13CH3])N 34a_100016989039_200025704644 [2,0,0,0,0,0|1,0,0]=3 2370 B11R1.280 COc1ccc(c(c1)O[13CH3])N 7a_100016989039_200025704644 [2,0,0,0,0,0|1,0,0]=3 2371 B11R1.280 COc1ccc(c(c1)SC)Br 62a_100009992028_200000210301 [2,0,0,0,0,0|1,1,0]=4 2372 B11R1.280 COc1ccc(c(c1)SC)Br 62a_200000210301_100009992028 [2,0,0,0,0,0|1,1,0]=4 2373 B11R1.280 COc1ccc(c(c1)SC)C 62a_100012349166_200000210301 [2,0,0,0,0,0|1,1,0]=4 2374 B11R1.280 COc1ccc(c(c1)SC)C 62a_200000210301_100012349166 [2,0,0,0,0,0|1,1,0]=4 2375 B11R1.280 COc1ccc(c(c1)SC)Cl 62a_100011356938_200000210301 [2,0,0,0,0,0|1,1,0]=4 2376 B11R1.280 COc1ccc(c(c1)SC)Cl 62a_200000210301_100011356938 [2,0,0,0,0,0|1,1,0]=4 2377 B11R1.280 COc1ccc(c(c1)SC)F 62a_100000699733_200000210301 [2,0,0,0,0,0|1,1,0]=4 2378 B11R1.280 COc1ccc(c(c1)SC)F 62a_200000210301_100000699733 [2,0,0,0,0,0|1,1,0]=4 2379 B11R1.280 COc1ccc(c(c1)SC)N 62a_100015195136_200000210301 [2,0,0,0,0,0|1,1,0]=4 2380 B11R1.280 COc1ccc(c(c1)SC)N 62a_200000210301_100015195136 [2,0,0,0,0,0|1,1,0]=4 2381 B11R1.280 COc1ccc(c(c1)SC)O 62a_200000210301_100000685887 [2,0,0,0,0,0|0,1,0]=3 2382 B11R1.280 COc1ccc(c(c1)S[13CH3])Br 62a_100009992028_200025704644 [2,0,0,0,0,0|1,1,0]=4 2383 B11R1.280 COc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100009992028 [2,0,0,0,0,0|1,1,0]=4 2384 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_100012349166_200025704644 [2,0,0,0,0,0|1,1,0]=4 2385 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_200025704644_100012349166 [2,0,0,0,0,0|1,1,0]=4 2386 B11R1.280 COc1ccc(c(c1)S[13CH3])Cl 62a_100011356938_200025704644 [2,0,0,0,0,0|1,1,0]=4 2387 B11R1.280 COc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100011356938 [2,0,0,0,0,0|1,1,0]=4 2388 B11R1.280 COc1ccc(c(c1)S[13CH3])F 62a_100000699733_200025704644 [2,0,0,0,0,0|1,1,0]=4 2389 B11R1.280 COc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000699733 [2,0,0,0,0,0|1,1,0]=4 2390 B11R1.280 COc1ccc(c(c1)S[13CH3])N 62a_100015195136_200025704644 [2,0,0,0,0,0|1,1,0]=4 2391 B11R1.280 COc1ccc(c(c1)S[13CH3])N 62a_200025704644_100015195136 [2,0,0,0,0,0|1,1,0]=4 2392 B11R1.280 COc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000685887 [2,0,0,0,0,0|0,1,0]=3 2393 B11R1.280 COc1ccc(c(n1)OC)O 271570a_203496583355_100009816055 [2,0,0,0,0,0|1,0,0]=3 2394 B11R1.280 COc1nc(ccc1O)SC 62a_200000210301_100010893133 [2,0,0,0,0,0|1,1,0]=4 2395 B11R1.280 COc1nc(ccc1O)S[13CH3] 62a_200025704644_100010893133 [2,0,0,0,0,0|1,1,0]=4 2396 B11R1.280 COc1ncc(c(n1)OC)O 271570a_203496583355_100011215025 [2,0,0,0,0,0|2,0,0]=4 2397 B11R1.280 CSc1cc(ccc1Br)C=O 62a_100010146563_200000210301 [2,0,0,0,0,0|1,1,0]=4 2398 B11R1.280 CSc1cc(ccc1Br)C=O 62a_200000210301_100010146563 [2,0,0,0,0,0|1,1,0]=4 2399 B11R1.280 CSc1cc(ccc1C)C=O 62a_100000695567_200000210301 [2,0,0,0,0,0|1,1,0]=4 2400 B11R1.280 CSc1cc(ccc1C)C=O 62a_200000210301_100000695567 [2,0,0,0,0,0|1,1,0]=4 2401 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_100010209939_200000210301 [2,0,0,0,0,0|1,1,0]=4 2402 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_200000210301_100010209939 [2,0,0,0,0,0|1,1,0]=4 2403 B11R1.280 CSc1cc(ccc1F)C=O 62a_100000211747_200000210301 [2,0,0,0,0,0|1,1,0]=4 2404 B11R1.280 CSc1cc(ccc1F)C=O 62a_200000210301_100000211747 [2,0,0,0,0,0|1,1,0]=4 2405 B11R1.280 CSc1cc(ccc1O)C=O 62a_100000184552_200000210301 [2,0,0,0,0,0|0,1,0]=3 2406 B11R1.280 CSc1cc(ccc1O)C=O 62a_200000210301_100000184552 [2,0,0,0,0,0|0,1,0]=3 2407 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [2,0,0,0,0,0|0,1,1]=4 2408 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [2,0,0,0,0,0|0,1,1]=4 2409 B11R1.280 CSc1cc(cnc1O)C=O 62a_100010064886_200000210301 [2,0,0,0,0,0|1,1,0]=4 2410 B11R1.280 CSc1cc(cnc1O)C=O 62a_200000210301_100010064886 [2,0,0,0,0,0|1,1,0]=4 2411 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_100000695567_200025704644 [2,0,0,0,0,0|1,1,0]=4 2412 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000695567 [2,0,0,0,0,0|1,1,0]=4 2413 B11R1.280 N#Cc1cc(ccc1O)C=O 271570a_203496583355_100010128726 [2,0,0,0,0,0|2,0,0]=4 2414 B11R1.280 O=Cc1ccc(c(c1)CO)O 271570a_203496583355_100015639582 [2,0,0,0,0,0|2,0,0]=4 2415 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [2,0,0,0,0,0|1,0,1]=4 2416 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 34a_100010191536_200025704644 [2,0,0,0,0,0|1,0,1]=4 2417 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 7a_100010191536_200025704644 [2,0,0,0,0,0|1,0,1]=4 2418 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 34a_100009876509_200025704644 [2,0,0,0,0,0|1,0,1]=4 2419 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 7a_100009876509_200025704644 [2,0,0,0,0,0|1,0,1]=4 2420 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 34a_100009842347_200025704644 [2,0,0,0,0,0|1,0,1]=4 2421 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 7a_100009842347_200025704644 [2,0,0,0,0,0|1,0,1]=4 2422 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 34a_100000049605_200025704644 [2,0,0,0,0,0|1,0,1]=4 2423 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 7a_100000049605_200025704644 [2,0,0,0,0,0|1,0,1]=4 2424 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_100010146563_200025704644 [2,0,0,0,0,0|1,1,0]=4 2425 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_200025704644_100010146563 [2,0,0,0,0,0|1,1,0]=4 2426 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_100010209939_200025704644 [2,0,0,0,0,0|1,1,0]=4 2427 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_200025704644_100010209939 [2,0,0,0,0,0|1,1,0]=4 2428 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_100000211747_200025704644 [2,0,0,0,0,0|1,1,0]=4 2429 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_200025704644_100000211747 [2,0,0,0,0,0|1,1,0]=4 2430 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_100000184552_200025704644 [2,0,0,0,0,0|0,1,0]=3 2431 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_200025704644_100000184552 [2,0,0,0,0,0|0,1,0]=3 2432 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [2,0,0,0,0,0|0,1,1]=4 2433 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [2,0,0,0,0,0|0,1,1]=4 2434 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_100010064886_200025704644 [2,0,0,0,0,0|1,1,0]=4 2435 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_200025704644_100010064886 [2,0,0,0,0,0|1,1,0]=4 2436 B11R1.189 C=C=Cc1cccc(c1)OC 271570a_100015277604_100000170001 [2,0,0,0,0,0|1,0,1]=4 2437 B11R1.189 CC=Cc1cc(ccn1)OC 271570a_100016259895_100011216251 [2,0,0,0,0,0|2,0,0]=4 2438 B11R1.189 CC=Cc1cccc(c1)CC 271570a_100016259895_100000684523 [2,0,0,0,0,0|2,0,0]=4 2439 B11R1.189 CC=Cc1cccc(c1)NC 271570a_100016259895_100000219648 [2,0,0,0,0,0|2,0,0]=4 2440 B11R1.189 CC=Cc1cccc(c1)OC 271570a_100016259895_100000170001 [2,0,0,0,0,0|1,0,0]=3 2441 B11R1.189 CC=Cc1cccc(c1)SC 271570a_100016259895_100011215954 [2,0,0,0,0,0|1,1,0]=4 2442 B11R1.189 CC=Cc1cccc(n1)OC 271570a_100016259895_100000760917 [2,0,0,0,0,0|2,0,0]=4 2443 B11R1.189 CC=Cc1ccnc(c1)OC 271570a_100016259895_100000117307 [2,0,0,0,0,0|2,0,0]=4 2444 B11R1.189 CC=Cc1cncc(c1)OC 271570a_100016259895_100000684773 [2,0,0,0,0,0|2,0,0]=4 2445 B11R1.189 CCCc1cccc(c1)OC 34a_100000039106_200000210301 [2,0,0,0,0,0|1,0,1]=4 2446 B11R1.189 CCCc1cccc(c1)OC 7a_100000039106_200000210301 [2,0,0,0,0,0|1,0,1]=4 2447 B11R1.189 CCCc1cccc(c1)O[13CH3] 34a_100000039106_200025704644 [2,0,0,0,0,0|1,0,1]=4 2448 B11R1.189 CCCc1cccc(c1)O[13CH3] 7a_100000039106_200025704644 [2,0,0,0,0,0|1,0,1]=4 2449 B11R1.189 CCNc1cccc(c1)OC 34a_100000210024_100000210202 [2,0,0,0,0,0|2,0,0]=4 2450 B11R1.189 CCNc1cccc(c1)OC 34a_100000717746_200000210301 [2,0,0,0,0,0|2,0,0]=4 2451 B11R1.189 CCNc1cccc(c1)OC 7a_100000717746_200000210301 [2,0,0,0,0,0|2,0,0]=4 2452 B11R1.189 CCNc1cccc(c1)O[13CH3] 34a_100000717746_200025704644 [2,0,0,0,0,0|2,0,0]=4 2453 B11R1.189 CCNc1cccc(c1)O[13CH3] 7a_100000717746_200025704644 [2,0,0,0,0,0|2,0,0]=4 2454 B11R1.189 CCOc1cccc(c1)OC 34a_100000211255_100000210202 [2,0,0,0,0,0|2,0,0]=4 2455 B11R1.189 CCOc1cccc(c1)OC 34a_100011215941_200000210301 [2,0,0,0,0,0|2,0,0]=4 2456 B11R1.189 CCOc1cccc(c1)OC 7a_100000211255_100000210202 [2,0,0,0,0,0|2,0,0]=4 2457 B11R1.189 CCOc1cccc(c1)OC 7a_100011215941_200000210301 [2,0,0,0,0,0|2,0,0]=4 2458 B11R1.189 CCOc1cccc(c1)O[13CH3] 34a_100011215941_200025704644 [2,0,0,0,0,0|2,0,0]=4 2459 B11R1.189 CCOc1cccc(c1)O[13CH3] 7a_100011215941_200025704644 [2,0,0,0,0,0|2,0,0]=4 2460 B11R1.189 CCSc1cccc(c1)OC 62a_100000210202_100000170001 [2,0,0,0,0,0|2,0,0]=4 2461 B11R1.189 CNCc1cccc(c1)OC 207a_100102657272_100000170238 [2,0,0,0,0,0|1,0,1]=4 2462 B11R1.189 CNCc1cccc(c1)OC 2230a_100000174954_200000210301 [2,0,0,0,0,0|1,0,1]=4 2463 B11R1.189 CNCc1cccc(c1)OC 2230a_106832991635_100000211672 [2,0,0,0,0,0|1,0,1]=4 2464 B11R1.189 CNCc1cccc(c1)OC 26a_100102657272_100000211255 [2,0,0,0,0,0|1,0,1]=4 2465 B11R1.189 CNCc1cccc(c1)OC 270004a_106832991635_100000170238 [2,0,0,0,0,0|1,0,1]=4 2466 B11R1.189 CNCc1cccc(c1)OC 34a_100000174954_200000210301 [2,0,0,0,0,0|1,0,1]=4 2467 B11R1.189 CNCc1cccc(c1)OC 34a_100000207540_200000210301 [2,0,0,0,0,0|1,0,1]=4 2468 B11R1.189 CNCc1cccc(c1)OC 34a_100102657272_100000688526 [2,0,0,0,0,0|1,0,1]=4 2469 B11R1.189 CNCc1cccc(c1)OC 7a_106832991635_100000211672 [2,0,0,0,0,0|1,0,1]=4 2470 B11R1.189 CNCc1cccc(c1)O[13CH3] 34a_100000207540_200025704644 [2,0,0,0,0,0|1,0,1]=4 2471 B11R1.189 CNc1cccc(c1)COC 2230a_100000737370_200000210301 [2,0,0,0,0,0|1,0,1]=4 2472 B11R1.189 CNc1cccc(c1)COC 34a_100000737370_200000210301 [2,0,0,0,0,0|1,0,1]=4 2473 B11R1.189 COCc1cc(ccn1)OC 34a_100000749536_200000210301 [2,0,0,0,0,0|1,0,1]=4 2474 B11R1.189 COCc1cc(ccn1)OC 34a_100138415774_100000752681 [2,0,0,0,0,0|1,0,1]=4 2475 B11R1.189 COCc1cccc(c1)N[13CH3] 2230a_100000737370_200025704644 [2,0,0,0,0,0|1,0,1]=4 2476 B11R1.189 COCc1cccc(c1)N[13CH3] 34a_100000737370_200025704644 [2,0,0,0,0,0|1,0,1]=4 2477 B11R1.189 COCc1cccc(c1)OC 34a_100000198976_200000210301 [2,0,0,0,0,0|0,0,1]=3 2478 B11R1.189 COCc1cccc(c1)OC 34a_100138415774_100000688526 [2,0,0,0,0,0|0,0,1]=3 2479 B11R1.189 COCc1cccc(c1)SC 62a_100011493687_200000210301 [2,0,0,0,0,0|0,1,1]=4 2480 B11R1.189 COCc1cccc(c1)SC 62a_200000210301_100011493687 [2,0,0,0,0,0|0,1,1]=4 2481 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_100011493687_200025704644 [2,0,0,0,0,0|0,1,1]=4 2482 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_200025704644_100011493687 [2,0,0,0,0,0|0,1,1]=4 2483 B11R1.189 COCc1cccc(n1)OC 34a_100138415774_100000755263 [2,0,0,0,0,0|1,0,1]=4 2484 B11R1.189 COCc1ccnc(c1)OC 34a_100138415774_100103152439 [2,0,0,0,0,0|1,0,1]=4 2485 B11R1.189 COCc1cncc(c1)OC 34a_100000732071_200000210301 [2,0,0,0,0,0|1,0,1]=4 2486 B11R1.189 COc1cccc(c1)CN[13CH3] 2230a_100000174954_200025704644 [2,0,0,0,0,0|1,0,1]=4 2487 B11R1.189 COc1cccc(c1)CN[13CH3] 34a_100000174954_200025704644 [2,0,0,0,0,0|1,0,1]=4 2488 B11R1.189 COc1cccc(c1)CO[13CH3] 34a_100000198976_200025704644 [2,0,0,0,0,0|0,0,1]=3 2489 B11R1.189 COc1cccc(c1)CSC 62a_100000688526_200000210301 [2,0,0,0,0,0|0,1,1]=4 2490 B11R1.189 COc1cccc(c1)CSC 62a_200000210301_100000211672 [2,0,0,0,0,0|0,1,1]=4 2491 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_100000688526_200025704644 [2,0,0,0,0,0|0,1,1]=4 2492 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_200025704644_100000211672 [2,0,0,0,0,0|0,1,1]=4 2493 B11R1.189 COc1ccnc(c1)CO[13CH3] 34a_100000749536_200025704644 [2,0,0,0,0,0|1,0,1]=4 2494 B11R1.189 COc1cncc(c1)CO[13CH3] 34a_100000732071_200025704644 [2,0,0,0,0,0|1,0,1]=4 2495 B11R1.192 C=C=Cc1ccc(c(c1)C)O 271570a_100015277604_100000186361 [2,0,0,0,0,0|1,0,1]=4 2496 B11R1.192 C=C=Cc1ccc(c(c1)O)O 271570a_100015277604_100009813601 [2,0,0,0,0,0|1,0,1]=4 2497 B11R1.192 CC=Cc1cc(c(cn1)O)C 271570a_100016259895_100000692680 [2,0,0,0,0,0|2,0,0]=4 2498 B11R1.192 CC=Cc1ccc(c(c1)Br)O 271570a_100016259895_100012361655 [2,0,0,0,0,0|2,0,0]=4 2499 B11R1.192 CC=Cc1ccc(c(c1)C)Br 271570a_100016259895_100009813585 [2,0,0,0,0,0|2,0,0]=4 2500 B11R1.192 CC=Cc1ccc(c(c1)C)C 271570a_100016259895_100011215607 [2,0,0,0,0,0|2,0,0]=4 2501 B11R1.192 CC=Cc1ccc(c(c1)C)Cl 271570a_100016259895_100000049509 [2,0,0,0,0,0|2,0,0]=4 2502 B11R1.192 CC=Cc1ccc(c(c1)C)F 271570a_100016259895_100011218330 [2,0,0,0,0,0|2,0,0]=4 2503 B11R1.192 CC=Cc1ccc(c(c1)C)N 271570a_100016259895_100000211769 [2,0,0,0,0,0|2,0,0]=4 2504 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [2,0,0,0,0,0|1,0,0]=3 2505 B11R1.192 CC=Cc1ccc(c(c1)Cl)O 271570a_100016259895_100012360047 [2,0,0,0,0,0|2,0,0]=4 2506 B11R1.192 CC=Cc1ccc(c(c1)F)O 271570a_100016259895_100000185481 [2,0,0,0,0,0|2,0,0]=4 2507 B11R1.192 CC=Cc1ccc(c(c1)N)O 271570a_100016259895_100000752626 [2,0,0,0,0,0|2,0,0]=4 2508 B11R1.192 CC=Cc1ccc(c(c1)O)Br 271570a_100016259895_100012356990 [2,0,0,0,0,0|2,0,0]=4 2509 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [2,0,0,0,0,0|2,0,0]=4 2510 B11R1.192 CC=Cc1ccc(c(c1)O)Cl 271570a_100016259895_100011356854 [2,0,0,0,0,0|2,0,0]=4 2511 B11R1.192 CC=Cc1ccc(c(c1)O)F 271570a_100016259895_100000686035 [2,0,0,0,0,0|2,0,0]=4 2512 B11R1.192 CC=Cc1ccc(c(c1)O)N 271570a_100016259895_100000739049 [2,0,0,0,0,0|2,0,0]=4 2513 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [2,0,0,0,0,0|1,0,0]=3 2514 B11R1.192 CC=Cc1ccc(c(n1)C)O 271570a_100016259895_100010233687 [2,0,0,0,0,0|2,0,0]=4 2515 B11R1.192 CC=Cc1cnc(c(c1)C)O 271570a_100016259895_100000685391 [2,0,0,0,0,0|2,0,0]=4 2516 B11R1.192 CCNc1ccc(c(c1)C)O 271570a_203496583355_100015183089 [2,0,0,0,0,0|2,0,0]=4 2517 B11R1.192 CCNc1ccc(c(c1)C)O 34a_100011218179_100000210202 [2,0,0,0,0,0|2,0,0]=4 2518 B11R1.192 CCNc1ccc(c(c1)C)O 7a_100011218179_100000210202 [2,0,0,0,0,0|2,0,0]=4 2519 B11R1.192 CCNc1ccc(c(c1)O)O 34a_100102946323_100000210202 [2,0,0,0,0,0|2,0,0]=4 2520 B11R1.192 CCOc1ccc(c(c1)C)O 271570a_203496583355_100012344538 [2,0,0,0,0,0|2,0,0]=4 2521 B11R1.192 CCSc1ccc(c(c1)C)O 62a_100000210202_100000186361 [2,0,0,0,0,0|2,0,0]=4 2522 B11R1.192 CCSc1ccc(c(c1)O)O 62a_100000210202_100009813601 [2,0,0,0,0,0|2,0,0]=4 2523 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [2,0,0,0,0,0|1,0,1]=4 2524 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100000718852_200000210301 [2,0,0,0,0,0|1,0,1]=4 2525 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100138415774_100000727479 [2,0,0,0,0,0|1,0,1]=4 2526 B11R1.192 COCc1ccc(c(c1)C)Br 7a_100000718852_200000210301 [2,0,0,0,0,0|1,0,1]=4 2527 B11R1.192 COCc1ccc(c(c1)C)C 34a_100011215342_200000210301 [2,0,0,0,0,0|1,0,1]=4 2528 B11R1.192 COCc1ccc(c(c1)C)C 34a_100138415774_100000742320 [2,0,0,0,0,0|1,0,1]=4 2529 B11R1.192 COCc1ccc(c(c1)C)C 7a_100011215342_200000210301 [2,0,0,0,0,0|1,0,1]=4 2530 B11R1.192 COCc1ccc(c(c1)C)Cl 34a_100138415774_100012184735 [2,0,0,0,0,0|1,0,1]=4 2531 B11R1.192 COCc1ccc(c(c1)C)F 34a_100011219793_200000210301 [2,0,0,0,0,0|1,0,1]=4 2532 B11R1.192 COCc1ccc(c(c1)C)F 34a_100138415774_100011216667 [2,0,0,0,0,0|1,0,1]=4 2533 B11R1.192 COCc1ccc(c(c1)C)F 7a_100011219793_200000210301 [2,0,0,0,0,0|1,0,1]=4 2534 B11R1.192 COCc1ccc(c(c1)C)N 34a_200011997030_200000210301 [2,0,0,0,0,0|1,0,1]=4 2535 B11R1.192 COCc1ccc(c(c1)F)O 271570a_203496583355_100010177442 [2,0,0,0,0,0|1,0,1]=4 2536 B11R1.192 COCc1ccc(c(c1)N)O 271570a_203496583355_200013033220 [2,0,0,0,0,0|1,0,1]=4 2537 B11R1.192 COCc1ccc(c(c1)O)C 271570a_203496583355_200015395492 [2,0,0,0,0,0|1,0,1]=4 2538 B11R1.192 COCc1ccc(c(c1)O)F 271570a_203496583355_200011493689 [2,0,0,0,0,0|1,0,1]=4 2539 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 34a_100000718852_200025704644 [2,0,0,0,0,0|1,0,1]=4 2540 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 7a_100000718852_200025704644 [2,0,0,0,0,0|1,0,1]=4 2541 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 34a_100011219793_200025704644 [2,0,0,0,0,0|1,0,1]=4 2542 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 7a_100011219793_200025704644 [2,0,0,0,0,0|1,0,1]=4 2543 B11R1.192 Cc1cc(ccc1N)CO[13CH3] 34a_200011997030_200025704644 [2,0,0,0,0,0|1,0,1]=4 2544 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 34a_100011215342_200025704644 [2,0,0,0,0,0|1,0,1]=4 2545 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 7a_100011215342_200025704644 [2,0,0,0,0,0|1,0,1]=4 2546 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [2,0,0,0,0,0|1,0,1]=4 2547 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [2,0,0,0,0,0|2,0,0]=4 2548 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [2,0,0,0,0,0|2,0,0]=4 2549 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [2,0,0,0,0,0|2,0,0]=4 2550 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [2,0,0,0,0,0|2,0,0]=4 2551 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [2,0,0,0,0,0|2,0,0]=4 2552 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [2,0,0,0,0,0|1,0,0]=3 2553 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [2,0,0,0,0,0|1,0,0]=3 2554 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [2,0,0,0,0,0|2,0,0]=4 2555 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [2,0,0,0,0,0|2,0,0]=4 2556 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [2,0,0,0,0,0|2,0,0]=4 2557 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [2,0,0,0,0,0|2,0,0]=4 2558 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [2,0,0,0,0,0|2,0,0]=4 2559 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [2,0,0,0,0,0|2,0,0]=4 2560 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [2,0,0,0,0,0|2,0,0]=4 2561 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [2,0,0,0,0,0|2,0,0]=4 2562 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [2,0,0,0,0,0|2,0,0]=4 2563 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [2,0,0,0,0,0|2,0,0]=4 2564 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [2,0,0,0,0,0|2,0,0]=4 2565 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [2,0,0,0,0,0|2,0,0]=4 2566 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [2,0,0,0,0,0|2,0,0]=4 2567 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [2,0,0,0,0,0|2,0,0]=4 2568 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [2,0,0,0,0,0|2,0,0]=4 2569 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [2,0,0,0,0,0|2,0,0]=4 2570 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [2,0,0,0,0,0|2,0,0]=4 2571 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [2,0,0,0,0,0|2,0,0]=4 2572 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [2,0,0,0,0,0|2,0,0]=4 2573 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [2,0,0,0,0,0|2,0,0]=4 2574 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [2,0,0,0,0,0|2,0,0]=4 2575 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [2,0,0,0,0,0|1,0,0]=3 2576 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [2,0,0,0,0,0|1,0,0]=3 2577 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [2,0,0,0,0,0|1,0,0]=3 2578 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [2,0,0,0,0,0|2,0,0]=4 2579 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [2,0,0,0,0,0|2,0,0]=4 2580 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [2,0,0,0,0,0|0,0,0]=2 2581 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [2,0,0,0,0,0|1,0,0]=3 2582 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [2,0,0,0,0,0|1,0,0]=3 2583 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [2,0,0,0,0,0|2,0,0]=4 2584 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [2,0,0,0,0,0|2,0,0]=4 2585 B11R1.22 COC(=O)c1cnc(nc1)O 271570a_203496583355_100000729365 [2,0,0,0,0,0|2,0,0]=4 2586 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [2,0,0,0,0,0|2,0,0]=4 2587 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [2,0,0,0,0,0|1,0,1]=4 2588 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [2,0,0,0,0,0|2,0,0]=4 2589 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [2,0,0,0,0,0|2,0,0]=4 2590 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [2,0,0,0,0,0|2,0,0]=4 2591 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [2,0,0,0,0,0|2,0,0]=4 2592 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [2,0,0,0,0,0|2,0,0]=4 2593 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [2,0,0,0,0,0|2,0,0]=4 2594 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [2,0,0,0,0,0|2,0,0]=4 2595 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [2,0,0,0,0,0|2,0,0]=4 2596 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [2,0,0,0,0,0|1,0,0]=3 2597 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [2,0,0,0,0,0|2,0,0]=4 2598 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [2,0,0,0,0,0|2,0,0]=4 2599 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [2,0,0,0,0,0|2,0,0]=4 2600 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [2,0,0,0,0,0|1,0,0]=3 2601 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [2,0,0,0,0,0|1,0,0]=3 2602 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [2,0,0,0,0,0|2,0,0]=4 2603 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [2,0,0,0,0,0|2,0,0]=4 2604 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [2,0,0,0,0,0|2,0,0]=4 2605 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [2,0,0,0,0,0|2,0,0]=4 2606 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [2,0,0,0,0,0|2,0,0]=4 2607 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [2,0,0,0,0,0|2,0,0]=4 2608 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [2,0,0,0,0,0|1,0,0]=3 2609 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [2,0,0,0,0,0|1,0,0]=3 2610 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [2,0,0,0,0,0|1,0,0]=3 2611 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [2,0,0,0,0,0|1,0,0]=3 2612 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [2,0,0,0,0,0|2,0,0]=4 2613 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [2,0,0,0,0,0|2,0,0]=4 2614 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [2,0,0,0,0,0|2,0,0]=4 2615 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [2,0,0,0,0,0|2,0,0]=4 2616 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [2,0,0,0,0,0|2,0,0]=4 2617 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [2,0,0,0,0,0|2,0,0]=4 2618 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [2,0,0,0,0,0|2,0,0]=4 2619 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [2,0,0,0,0,0|2,0,0]=4 2620 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [2,0,0,0,0,0|2,0,0]=4 2621 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [2,0,0,0,0,0|2,0,0]=4 2622 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [2,0,0,0,0,0|2,0,0]=4 2623 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [2,0,0,0,0,0|2,0,0]=4 2624 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [2,0,0,0,0,0|1,0,0]=3 2625 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [2,0,0,0,0,0|1,0,0]=3 2626 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [2,0,0,0,0,0|1,0,0]=3 2627 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [2,0,0,0,0,0|2,0,0]=4 2628 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [2,0,0,0,0,0|2,0,0]=4 2629 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [2,0,0,0,0,0|2,0,0]=4 2630 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [2,0,0,0,0,0|1,0,0]=3 2631 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [2,0,0,0,0,0|2,0,0]=4 2632 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [2,0,0,0,0,0|0,0,0]=2 2633 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [2,0,0,0,0,0|1,0,0]=3 2634 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [2,0,0,0,0,0|1,0,0]=3 2635 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [2,0,0,0,0,0|2,0,0]=4 2636 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [2,0,0,0,0,0|1,0,0]=3 2637 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [2,0,0,0,0,0|2,0,0]=4 2638 B11R1.23 COC(=O)c1cnnc(c1)O 271570a_203496583355_100009862058 [2,0,0,0,0,0|2,0,0]=4 2639 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [2,0,0,0,0,0|1,0,1]=4 2640 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [2,0,0,0,0,0|1,0,1]=4 2641 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [2,0,0,0,0,0|2,0,0]=4 2642 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [2,0,0,0,0,0|1,0,1]=4 2643 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [2,0,0,0,0,0|1,0,1]=4 2644 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [2,0,0,0,0,0|2,0,0]=4 2645 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [2,0,0,0,0,0|2,0,0]=4 2646 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [2,0,0,0,0,0|2,0,0]=4 2647 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [2,0,0,0,0,0|2,0,0]=4 2648 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [2,0,0,0,0,0|2,0,0]=4 2649 B13R1.13 C=C(C)c1cc(ccc1Br)C(=O)C 271570a_100000694244_100010146556 [1,1,0,0,0,0|2,0,0]=4 2650 B13R1.13 C=C(C)c1cc(ccc1C)C(=O)C 271570a_100000694244_100011934287 [1,1,0,0,0,0|2,0,0]=4 2651 B13R1.13 C=C(C)c1cc(ccc1F)C(=O)C 271570a_100000694244_100000239719 [1,1,0,0,0,0|2,0,0]=4 2652 B13R1.13 C=C(C)c1cc(ccc1N)C(=O)C 271570a_100000694244_100012029215 [1,1,0,0,0,0|2,0,0]=4 2653 B13R1.13 C=C(C)c1cc(ccc1O)C(=O)C 271570a_100000694244_100011772453 [1,1,0,0,0,0|1,0,0]=3 2654 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)O 271570a_100000694244_100000212127 [1,1,0,0,0,0|2,0,0]=4 2655 B13R1.13 C=C(C)c1ccc(c(c1)C(C)C)O 271570a_100000694244_100000691460 [1,1,0,0,0,0|2,0,0]=4 2656 B13R1.13 CC(=O)c1ccc(c(c1)C(C)C)Br 1458a_100010202910_200000210301 [1,1,0,0,0,0|2,0,0]=4 2657 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])O 1458a_100000744589_200000210301 [1,1,0,0,0,0|2,0,0]=4 2658 B13R1.13 CC(C)c1cc(ccc1Br)C(=O)[13CH3] 1458a_100010202910_200025704644 [1,1,0,0,0,0|2,0,0]=4 2659 B13R1.13 [13CH3]C(=O)c1ccc(c(c1)[N+](=O)[O-])O 1458a_100000744589_200025704644 [1,1,0,0,0,0|2,0,0]=4 2660 B13R1.50 CNc1cc(ccc1O)S(=O)(=O)C 34a_100000186253_200000210301 [1,1,0,0,0,0|2,0,0]=4 2661 B13R1.50 CNc1cc(ccc1O)S(=O)(=O)C 7a_100000186253_200000210301 [1,1,0,0,0,0|2,0,0]=4 2662 B13R1.50 CS(=O)(=O)c1ccc(c(c1)N[13CH3])O 34a_100000186253_200025704644 [1,1,0,0,0,0|2,0,0]=4 2663 B13R1.50 CS(=O)(=O)c1ccc(c(c1)N[13CH3])O 7a_100000186253_200025704644 [1,1,0,0,0,0|2,0,0]=4 2664 B13R1.298 C=C(C)c1cc(c(c(c1)CC)O)C 271570a_100000694244_100010659108 [1,1,0,0,0,0|2,0,0]=4 2665 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)C 271570a_100000694244_100010271686 [1,1,0,0,0,0|2,0,0]=4 2666 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)F 271570a_100000694244_100011218012 [1,1,0,0,0,0|2,0,0]=4 2667 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)O 271570a_100000694244_200015524394 [1,1,0,0,0,0|2,0,0]=4 2668 B13R1.298 C=C(C)c1cc(c(c(c1)OC)N)C 271570a_100000694244_100000741850 [1,1,0,0,0,0|2,0,0]=4 2669 B13R1.298 COc1cc(cc(c1Cl)Br)C(=O)C 1458a_100020639751_200000210301 [1,1,0,0,0,0|1,0,0]=3 2670 B13R1.298 COc1cc(cc(c1Cl)Br)C(=O)[13CH3] 1458a_100020639751_200025704644 [1,1,0,0,0,0|1,0,0]=3 2671 B13R1.298 COc1cc(cc(c1F)F)C(=O)C 1458a_100000081826_200000210301 [1,1,0,0,0,0|1,0,0]=3 2672 B13R1.298 COc1cc(cc(c1F)F)C(=O)[13CH3] 1458a_100000081826_200025704644 [1,1,0,0,0,0|1,0,0]=3 2673 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)C 1458a_100000209947_200000210301 [1,1,0,0,0,0|0,0,0]=2 2674 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)[13CH3] 1458a_100000209947_200025704644 [1,1,0,0,0,0|0,0,0]=2 2675 B13R1.298 COc1cc(cc(c1O)O)C(=O)C 1458a_100000061230_200000210301 [1,1,0,0,0,0|0,0,0]=2 2676 B13R1.298 COc1cc(cc(c1O)O)C(=O)[13CH3] 1458a_100000061230_200025704644 [1,1,0,0,0,0|0,0,0]=2 2677 B13R1.354 C=C(C)c1ccc(c(c1)CNC)O 271570a_100000694244_100011602694 [1,1,0,0,0,0|2,0,0]=4 2678 B13R1.354 C=C(C)c1ccc(c(c1)COC)Br 271570a_100000694244_202125822959 [1,1,0,0,0,0|2,0,0]=4 2679 B13R1.354 C=C(C)c1ccc(c(c1)COC)F 271570a_100000694244_100010140362 [1,1,0,0,0,0|2,0,0]=4 2680 B13R1.354 C=C(C)c1ccc(c(c1)OCC)C 271570a_100000694244_100012361169 [1,1,0,0,0,0|2,0,0]=4 2681 B13R1.354 C=C(C)c1ccc(c(c1)OCC)F 271570a_100000694244_200012344967 [1,1,0,0,0,0|2,0,0]=4 2682 B13R1.354 C=C(C)c1ccc(c(c1)OCC)N 271570a_100000694244_100000688918 [1,1,0,0,0,0|2,0,0]=4 2683 B13R1.354 C=C=Cc1cc(ccc1O)C(=O)C 271570a_100015277604_100011772453 [1,1,0,0,0,0|1,0,1]=4 2684 B13R1.354 CC(=O)c1ccc(c(c1)CS[13CH3])O 62a_100000010293_200025704644 [1,1,0,0,0,0|0,1,0]=3 2685 B13R1.354 CC(=O)c1ccc(c(c1)OCF)C 34a_100000084092_100015361967 [1,1,0,0,0,0|1,0,0]=3 2686 B13R1.354 CC(=O)c1ccc(c(c1)OCF)C 7a_100000084092_100015361967 [1,1,0,0,0,0|1,0,0]=3 2687 B13R1.354 CC(=O)c1ccc(c(c1)OCF)F 34a_100000117923_100015361967 [1,1,0,0,0,0|1,0,0]=3 2688 B13R1.354 CC(=O)c1ccc(c(c1)OCF)F 7a_100000117923_100015361967 [1,1,0,0,0,0|1,0,0]=3 2689 B13R1.354 CC(=O)c1ccc(c(c1)SCF)Br 62a_100010146556_100015361967 [1,1,0,0,0,0|1,1,0]=4 2690 B13R1.354 CC(=O)c1ccc(c(c1)SCF)Br 62a_100015361967_100010146556 [1,1,0,0,0,0|1,1,0]=4 2691 B13R1.354 CC(=O)c1ccc(c(c1)SCF)C 62a_100011934287_100015361967 [1,1,0,0,0,0|1,1,0]=4 2692 B13R1.354 CC(=O)c1ccc(c(c1)SCF)C 62a_100015361967_100011934287 [1,1,0,0,0,0|1,1,0]=4 2693 B13R1.354 CC(=O)c1ccc(c(c1)SCF)F 62a_100000239719_100015361967 [1,1,0,0,0,0|1,1,0]=4 2694 B13R1.354 CC(=O)c1ccc(c(c1)SCF)F 62a_100015361967_100000239719 [1,1,0,0,0,0|1,1,0]=4 2695 B13R1.354 CC(=O)c1ccc(c(c1)SCF)N 62a_100012029215_100015361967 [1,1,0,0,0,0|1,1,0]=4 2696 B13R1.354 CC(=O)c1ccc(c(c1)SCF)O 62a_100011772453_100015361967 [1,1,0,0,0,0|0,1,0]=3 2697 B13R1.354 CC=Cc1cc(ccc1Br)C(=O)C 271570a_100016259895_100010146556 [1,1,0,0,0,0|2,0,0]=4 2698 B13R1.354 CC=Cc1cc(ccc1C)C(=O)C 271570a_100016259895_100011934287 [1,1,0,0,0,0|2,0,0]=4 2699 B13R1.354 CC=Cc1cc(ccc1F)C(=O)C 271570a_100016259895_100000239719 [1,1,0,0,0,0|2,0,0]=4 2700 B13R1.354 CC=Cc1cc(ccc1N)C(=O)C 271570a_100016259895_100012029215 [1,1,0,0,0,0|2,0,0]=4 2701 B13R1.354 CC=Cc1cc(ccc1O)C(=O)C 271570a_100016259895_100011772453 [1,1,0,0,0,0|1,0,0]=3 2702 B13R1.354 CCCc1cc(ccc1F)C(=O)C 1458a_100009923992_200000210301 [1,1,0,0,0,0|2,0,0]=4 2703 B13R1.354 CCCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009923992_200025704644 [1,1,0,0,0,0|2,0,0]=4 2704 B13R1.354 CCOc1cc(ccc1Br)C(=O)N 34a_100012344895_100000210202 [1,1,0,0,0,0|2,0,0]=4 2705 B13R1.354 CCOc1cc(ccc1Br)C(=O)N 7a_100012344895_100000210202 [1,1,0,0,0,0|2,0,0]=4 2706 B13R1.354 CCOc1cc(ccc1C)C(=O)C 1458a_100000238212_200000210301 [1,1,0,0,0,0|1,0,0]=3 2707 B13R1.354 CCOc1cc(ccc1C)C(=O)C 34a_100000084092_100000210202 [1,1,0,0,0,0|1,0,0]=3 2708 B13R1.354 CCOc1cc(ccc1C)C(=O)C 7a_100000084092_100000210202 [1,1,0,0,0,0|1,0,0]=3 2709 B13R1.354 CCOc1cc(ccc1C)C(=O)[13CH3] 1458a_100000238212_200025704644 [1,1,0,0,0,0|1,0,0]=3 2710 B13R1.354 CCOc1cc(ccc1Cl)C(=O)C 1458a_200010207389_200000210301 [1,1,0,0,0,0|1,0,0]=3 2711 B13R1.354 CCOc1cc(ccc1Cl)C(=O)[13CH3] 1458a_200010207389_200025704644 [1,1,0,0,0,0|1,0,0]=3 2712 B13R1.354 CCOc1cc(ccc1F)C(=O)C 34a_100000117923_100000210202 [1,1,0,0,0,0|1,0,0]=3 2713 B13R1.354 CCOc1cc(ccc1F)C(=O)C 7a_100000117923_100000210202 [1,1,0,0,0,0|1,0,0]=3 2714 B13R1.354 CCOc1cc(ccc1N)C(=O)N 34a_100011850428_100000210202 [1,1,0,0,0,0|2,0,0]=4 2715 B13R1.354 CCOc1cc(ccc1N)C(=O)N 7a_100011850428_100000210202 [1,1,0,0,0,0|2,0,0]=4 2716 B13R1.354 CCOc1cc(ccc1O)C(=O)C 1458a_100011260950_200000210301 [1,1,0,0,0,0|0,0,0]=2 2717 B13R1.354 CCOc1cc(ccc1O)C(=O)[13CH3] 1458a_100011260950_200025704644 [1,1,0,0,0,0|0,0,0]=2 2718 B13R1.354 CCSc1cc(ccc1Br)C(=O)C 62a_100000210202_100010146556 [1,1,0,0,0,0|1,1,0]=4 2719 B13R1.354 CCSc1cc(ccc1Br)C(=O)C 62a_100010146556_100000210202 [1,1,0,0,0,0|1,1,0]=4 2720 B13R1.354 CCSc1cc(ccc1C)C(=O)C 62a_100000210202_100011934287 [1,1,0,0,0,0|1,1,0]=4 2721 B13R1.354 CCSc1cc(ccc1C)C(=O)C 62a_100011934287_100000210202 [1,1,0,0,0,0|1,1,0]=4 2722 B13R1.354 CCSc1cc(ccc1F)C(=O)C 62a_100000210202_100000239719 [1,1,0,0,0,0|1,1,0]=4 2723 B13R1.354 CCSc1cc(ccc1F)C(=O)C 62a_100000239719_100000210202 [1,1,0,0,0,0|1,1,0]=4 2724 B13R1.354 CCSc1cc(ccc1N)C(=O)C 62a_100012029215_100000210202 [1,1,0,0,0,0|1,1,0]=4 2725 B13R1.354 CCSc1cc(ccc1O)C(=O)C 62a_100011772453_100000210202 [1,1,0,0,0,0|0,1,0]=3 2726 B13R1.354 CNCc1cc(ccc1F)C(=O)C 26a_100102657272_100000117923 [1,1,0,0,0,0|2,0,0]=4 2727 B13R1.354 CNCc1cc(ccc1O)C(=O)C 34a_100102657272_100000010293 [1,1,0,0,0,0|1,0,0]=3 2728 B13R1.354 COCc1cc(ccc1O)C(=O)C 34a_100138415774_100000010293 [1,1,0,0,0,0|0,0,0]=2 2729 B13R1.354 COCc1cc(ccc1O)[N+](=O)[O-] 34a_100138415774_200009813932 [1,1,0,0,0,0|1,0,1]=4 2730 B13R1.354 CSCc1cc(ccc1O)C(=O)C 62a_100000010293_200000210301 [1,1,0,0,0,0|0,1,0]=3 2731 B13R1.354 NC(=O)c1ccc(c(c1)OCF)Br 34a_100012344895_100015361967 [1,1,0,0,0,0|2,0,0]=4 2732 B13R1.354 NC(=O)c1ccc(c(c1)OCF)Br 7a_100012344895_100015361967 [1,1,0,0,0,0|2,0,0]=4 2733 B13R1.354 NC(=O)c1ccc(c(c1)OCF)N 34a_100011850428_100015361967 [1,1,0,0,0,0|2,0,0]=4 2734 B13R1.354 NC(=O)c1ccc(c(c1)OCF)N 7a_100011850428_100015361967 [1,1,0,0,0,0|2,0,0]=4 2735 B13R1.651 C=C(C)c1cc(c(cc1Br)Br)OC 271570a_100000694244_200014006352 [1,1,0,0,0,0|2,0,0]=4 2736 B13R1.651 C=C(C)c1cc(c(cc1C)F)OC 271570a_100000694244_100011009880 [1,1,0,0,0,0|2,0,0]=4 2737 B13R1.651 C=C(C)c1cc(c(cc1C)N)OC 271570a_100000694244_100010141321 [1,1,0,0,0,0|2,0,0]=4 2738 B13R1.651 C=C(C)c1cc(c(cc1F)Cl)OC 271570a_100000694244_100010739614 [1,1,0,0,0,0|2,0,0]=4 2739 B13R1.651 C=C(C)c1cc(c(cc1F)F)OC 271570a_100000694244_200015541288 [1,1,0,0,0,0|2,0,0]=4 2740 B13R1.651 C=C(C)c1cc(c(cc1F)N)OC 271570a_100000694244_100012766639 [1,1,0,0,0,0|2,0,0]=4 2741 B13R1.651 C=C(C)c1cc(c(cc1F)O)OC 271570a_100000694244_100010189133 [1,1,0,0,0,0|1,0,0]=3 2742 B13R1.651 C=C(C)c1cc(c(cc1N)C)OC 271570a_100000694244_200010584344 [1,1,0,0,0,0|2,0,0]=4 2743 B13R1.651 C=C(C)c1cc(c(cc1N)F)OC 271570a_100000694244_100010365326 [1,1,0,0,0,0|2,0,0]=4 2744 B13R1.651 CC(=O)c1cc(c(cc1F)F)S[13CH3] 62a_100009817148_200025704644 [1,1,0,0,0,0|1,1,0]=4 2745 B13R1.651 CC(=O)c1cc(c(cc1O)C)S[13CH3] 62a_200010233951_200025704644 [1,1,0,0,0,0|1,1,0]=4 2746 B13R1.651 CC(=O)c1cc(c(cc1O)F)S[13CH3] 62a_100000691652_200025704644 [1,1,0,0,0,0|1,1,0]=4 2747 B13R1.651 COc1cc(c(cc1C)Br)C(=O)C 1458a_100010289115_200000210301 [1,1,0,0,0,0|1,0,0]=3 2748 B13R1.651 COc1cc(c(cc1C)Br)C(=O)[13CH3] 1458a_100010289115_200025704644 [1,1,0,0,0,0|1,0,0]=3 2749 B13R1.651 COc1cc(c(cc1F)Br)C(=O)C 1458a_100010174800_200000210301 [1,1,0,0,0,0|1,0,0]=3 2750 B13R1.651 COc1cc(c(cc1F)Br)C(=O)[13CH3] 1458a_100010174800_200025704644 [1,1,0,0,0,0|1,0,0]=3 2751 B13R1.651 CSc1cc(c(cc1C)O)C(=O)C 62a_200010233951_200000210301 [1,1,0,0,0,0|1,1,0]=4 2752 B13R1.651 CSc1cc(c(cc1F)F)C(=O)C 62a_100009817148_200000210301 [1,1,0,0,0,0|1,1,0]=4 2753 B13R1.651 CSc1cc(c(cc1F)O)C(=O)C 62a_100000691652_200000210301 [1,1,0,0,0,0|1,1,0]=4 2754 B13R1.3091 C=C(C)c1cc(c(cn1)CO)OC 271570a_100000694244_100010714672 [1,1,0,0,0,0|2,0,0]=4 2755 B13R1.3091 C=C(C)c1ccc(c(c1)CC)OC 271570a_100000694244_200010179862 [1,1,0,0,0,0|2,0,0]=4 2756 B13R1.3091 C=C(C)c1ccc(c(c1)OC)C#N 271570a_100000694244_100000694671 [1,1,0,0,0,0|2,0,0]=4 2757 B13R1.3091 C=C(C)c1ccc(c(c1)OC)C=O 271570a_100000694244_100000697075 [1,1,0,0,0,0|1,0,1]=4 2758 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CC 271570a_100000694244_200010710398 [1,1,0,0,0,0|2,0,0]=4 2759 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CO 271570a_100000694244_100011277633 [1,1,0,0,0,0|1,0,0]=3 2760 B13R1.3091 C=C(C)c1ccc(c(c1)OC)OC 271570a_100000694244_100000187503 [1,1,0,0,0,0|1,0,0]=3 2761 B13R1.3091 C=C(C)c1ccc(c(c1)OC)SC 271570a_100000694244_200011001119 [1,1,0,0,0,0|1,1,0]=4 2762 B13R1.3091 C=C(C)c1ccc(c(c1)SC)OC 271570a_100000694244_200009892704 [1,1,0,0,0,0|1,1,0]=4 2763 B13R1.3091 C=C(C)c1ccc(c(n1)OC)CO 271570a_100000694244_100010988397 [1,1,0,0,0,0|2,0,0]=4 2764 B13R1.3091 C=C(C)c1ccc(c(n1)OC)OC 271570a_100000694244_100010214848 [1,1,0,0,0,0|2,0,0]=4 2765 B13R1.3091 C=C(C)c1cnc(c(c1)OC)CO 271570a_100000694244_200010246159 [1,1,0,0,0,0|2,0,0]=4 2766 B13R1.3091 C=C(C)c1cnc(c(c1)OC)OC 271570a_100000694244_100010234541 [1,1,0,0,0,0|2,0,0]=4 2767 B13R1.3091 C=Cc1cc(ccc1OC)C(=O)C 271570a_100011290941_100000185153 [1,1,0,0,0,0|1,0,1]=4 2768 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)C 271570a_100011290941_100010110075 [1,1,0,0,0,0|1,0,0]=3 2769 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)N 271570a_100011290941_100009817049 [1,1,0,0,0,0|2,0,0]=4 2770 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)O[13CH3] 34a_100000010293_200025704644 [1,1,0,0,0,0|2,0,0]=4 2771 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)O[13CH3] 7a_100000010293_200025704644 [1,1,0,0,0,0|2,0,0]=4 2772 B13R1.3091 CC(=O)c1ccc(c(c1)CO)O[13CH3] 7a_100000025453_200025704644 [1,1,0,0,0,0|2,0,0]=4 2773 B13R1.3091 CNc1cc(ccc1OC)C(=O)N 34a_100000740584_200000210301 [1,1,0,0,0,0|2,0,0]=4 2774 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 27a_100102657272_100009817049 [1,1,0,0,0,0|2,0,0]=4 2775 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 34a_100011850419_200000210301 [1,1,0,0,0,0|2,0,0]=4 2776 B13R1.3091 COc1cc(ccc1C#N)C(=O)C 1458a_100009879710_200000210301 [1,1,0,0,0,0|1,0,0]=3 2777 B13R1.3091 COc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100009879710_200025704644 [1,1,0,0,0,0|1,0,0]=3 2778 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_200000210301 [1,1,0,0,0,0|1,0,1]=4 2779 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_200000210301 [1,1,0,0,0,0|1,0,1]=4 2780 B13R1.3091 COc1cc(ccc1N[13CH3])C(=O)N 34a_100011850419_200025704644 [1,1,0,0,0,0|2,0,0]=4 2781 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 34a_100000186468_200025704644 [1,1,0,0,0,0|0,0,0]=2 2782 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 7a_100000186468_200025704644 [1,1,0,0,0,0|0,0,0]=2 2783 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 34a_100000246512_200025704644 [1,1,0,0,0,0|0,0,2]=4 2784 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 7a_100000246512_200025704644 [1,1,0,0,0,0|0,0,2]=4 2785 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000742293_200025704644 [1,1,0,0,0,0|1,0,1]=4 2786 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000742293_200025704644 [1,1,0,0,0,0|1,0,1]=4 2787 B13R1.3091 COc1cc(ccc1SC)C(=O)C 62a_100010110075_200000210301 [1,1,0,0,0,0|0,1,0]=3 2788 B13R1.3091 COc1cc(ccc1SC)C(=O)N 62a_100009817049_200000210301 [1,1,0,0,0,0|1,1,0]=4 2789 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)C 62a_100010110075_200025704644 [1,1,0,0,0,0|0,1,0]=3 2790 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)N 62a_100009817049_200025704644 [1,1,0,0,0,0|1,1,0]=4 2791 B13R1.3091 COc1ccc(cc1C#N)C(=O)C 1458a_100011999887_200000210301 [1,1,0,0,0,0|2,0,0]=4 2792 B13R1.3091 COc1ccc(cc1C#N)C(=O)[13CH3] 1458a_100011999887_200025704644 [1,1,0,0,0,0|2,0,0]=4 2793 B13R1.3091 COc1ccc(cc1CCl)C(=O)C 34a_100000010293_200000210301 [1,1,0,0,0,0|2,0,0]=4 2794 B13R1.3091 COc1ccc(cc1CCl)C(=O)C 7a_100000010293_200000210301 [1,1,0,0,0,0|2,0,0]=4 2795 B13R1.3091 COc1ccc(cc1CO)C(=O)C 7a_100000025453_200000210301 [1,1,0,0,0,0|2,0,0]=4 2796 B13R1.3091 COc1ccc(cc1N[13CH3])C(=O)N 34a_100000740584_200025704644 [1,1,0,0,0,0|2,0,0]=4 2797 B13R1.3091 COc1ccc(cc1OC)C(=O)C 1458a_100000211223_200000210301 [1,1,0,0,0,0|0,0,0]=2 2798 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000186468_200000210301 [1,1,0,0,0,0|0,0,0]=2 2799 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000732934_200000210301 [1,1,0,0,0,0|0,0,0]=2 2800 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000186468_200000210301 [1,1,0,0,0,0|0,0,0]=2 2801 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000732934_200000210301 [1,1,0,0,0,0|0,0,0]=2 2802 B13R1.3091 COc1ccc(cc1OC)C(=O)[13CH3] 1458a_100000211223_200025704644 [1,1,0,0,0,0|0,0,0]=2 2803 B13R1.3091 COc1ccc(cc1OC)C(C)O 34a_100000246512_200000210301 [1,1,0,0,0,0|0,0,2]=4 2804 B13R1.3091 COc1ccc(cc1OC)C(C)O 7a_100000246512_200000210301 [1,1,0,0,0,0|0,0,2]=4 2805 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211812_200000210301 [1,1,0,0,0,0|1,0,1]=4 2806 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_200000210301 [1,1,0,0,0,0|1,0,1]=4 2807 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000211812_200000210301 [1,1,0,0,0,0|1,0,1]=4 2808 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_200000210301 [1,1,0,0,0,0|1,0,1]=4 2809 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 34a_100000732934_200025704644 [1,1,0,0,0,0|0,0,0]=2 2810 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 7a_100000732934_200025704644 [1,1,0,0,0,0|0,0,0]=2 2811 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000211812_200025704644 [1,1,0,0,0,0|1,0,1]=4 2812 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000211812_200025704644 [1,1,0,0,0,0|1,0,1]=4 2813 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_100000185153_200000210301 [1,1,0,0,0,0|0,1,0]=3 2814 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_200000210301_100000039561 [1,1,0,0,0,0|0,1,0]=3 2815 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_100000185153_200025704644 [1,1,0,0,0,0|0,1,0]=3 2816 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_200025704644_100000039561 [1,1,0,0,0,0|0,1,0]=3 2817 B13R1.3091 [13CH3]Oc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_200025704644 [1,1,0,0,0,0|1,0,1]=4 2818 B13R1.3091 [13CH3]Oc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_200025704644 [1,1,0,0,0,0|1,0,1]=4 2819 B13R1.3230 C=C(C)c1ccc(c(c1F)OC)Cl 271570a_100000694244_200135222481 [1,1,0,0,0,0|2,0,0]=4 2820 B13R1.3230 C=C(C)c1ccc(c(c1F)OC)N 271570a_100000694244_100010734149 [1,1,0,0,0,0|2,0,0]=4 2821 B13R1.3230 CC(=O)c1ccc(c(c1F)S[13CH3])F 62a_100010179980_200025704644 [1,1,0,0,0,0|1,1,0]=4 2822 B13R1.3230 CC(=O)c1ccc(c(c1F)S[13CH3])F 62a_200025704644_100010179980 [1,1,0,0,0,0|1,1,0]=4 2823 B13R1.3230 COc1c(ccc(c1F)B(O)O)O 271570a_203496583355_200009815746 [1,1,0,0,0,0|1,0,1]=4 2824 B13R1.3230 COc1c(ccc(c1F)C(=O)C)Br 1458a_100009816242_200000210301 [1,1,0,0,0,0|1,0,0]=3 2825 B13R1.3230 COc1c(ccc(c1F)C(=O)C)Cl 1458a_100010116254_200000210301 [1,1,0,0,0,0|1,0,0]=3 2826 B13R1.3230 COc1c(ccc(c1F)C(=O)C)F 1458a_100000061937_200000210301 [1,1,0,0,0,0|1,0,0]=3 2827 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])Br 1458a_100009816242_200025704644 [1,1,0,0,0,0|1,0,0]=3 2828 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100010116254_200025704644 [1,1,0,0,0,0|1,0,0]=3 2829 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000061937_200025704644 [1,1,0,0,0,0|1,0,0]=3 2830 B13R1.3230 CSc1c(ccc(c1F)C(=O)C)Cl 1458a_200134766191_200000210301 [1,1,0,0,0,0|1,1,0]=4 2831 B13R1.3230 CSc1c(ccc(c1F)C(=O)C)F 62a_100010179980_200000210301 [1,1,0,0,0,0|1,1,0]=4 2832 B13R1.3230 CSc1c(ccc(c1F)C(=O)C)F 62a_200000210301_100010179980 [1,1,0,0,0,0|1,1,0]=4 2833 B13R1.3230 CSc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_200134766191_200025704644 [1,1,0,0,0,0|1,1,0]=4 2834 B13R1.52 CCc1cc(ccc1O)C=C(C)C 271570a_100102525489_100012338938 [1,1,0,0,0,0|2,0,0]=4 2835 B13R1.52 COc1cc(ccc1Br)C=C(C)C 271570a_100102525489_100012353699 [1,1,0,0,0,0|2,0,0]=4 2836 B13R1.52 COc1cc(ccc1C)C=C(C)C 271570a_100102525489_100011830276 [1,1,0,0,0,0|2,0,0]=4 2837 B13R1.52 COc1cc(ccc1Cl)C=C(C)C 271570a_100102525489_100011356853 [1,1,0,0,0,0|2,0,0]=4 2838 B13R1.52 COc1cc(ccc1F)C=C(C)C 271570a_100102525489_100011934186 [1,1,0,0,0,0|2,0,0]=4 2839 B13R1.52 COc1cc(ccc1N)C=C(C)C 271570a_100102525489_100011279103 [1,1,0,0,0,0|2,0,0]=4 2840 B13R1.52 COc1cc(ccc1O)C=C(C)C 271570a_100102525489_100000694246 [1,1,0,0,0,0|1,0,0]=3 2841 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [1,1,0,0,0,0|1,0,1]=4 2842 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [1,1,0,0,0,0|1,0,1]=4 2843 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [1,1,0,0,0,0|2,0,0]=4 2844 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [1,1,0,0,0,0|2,0,0]=4 2845 B13R1.52 COc1cc(ccc1O)NC(C)C 34a_100000726020_100000210206 [1,1,0,0,0,0|2,0,0]=4 2846 B13R1.52 COc1cc(ccc1O)SC(C)C 62a_100000210206_100000694246 [1,1,0,0,0,0|2,0,0]=4 2847 B13R1.52 COc1nc(ccc1O)C=C(C)C 271570a_100102525489_100010893133 [1,1,0,0,0,0|2,0,0]=4 2848 B13R1.384 CC=Cc1ccc(c(c1)CNC)O 271570a_100016259895_100011602694 [1,1,0,0,0,0|2,0,0]=4 2849 B13R1.384 CC=Cc1ccc(c(c1)COC)Br 271570a_100016259895_202125822959 [1,1,0,0,0,0|2,0,0]=4 2850 B13R1.384 CC=Cc1ccc(c(c1)COC)F 271570a_100016259895_100010140362 [1,1,0,0,0,0|2,0,0]=4 2851 B13R1.384 CC=Cc1ccc(c(c1)OCC)C 271570a_100016259895_100012361169 [1,1,0,0,0,0|2,0,0]=4 2852 B13R1.384 CC=Cc1ccc(c(c1)OCC)F 271570a_100016259895_200012344967 [1,1,0,0,0,0|2,0,0]=4 2853 B13R1.384 CC=Cc1ccc(c(c1)OCC)N 271570a_100016259895_100000688918 [1,1,0,0,0,0|2,0,0]=4 2854 B13R1.384 CCOc1cc(ccc1O)CNC 34a_200000751567_200000210301 [1,1,0,0,0,0|1,0,1]=4 2855 B13R1.384 CCOc1cc(ccc1O)CN[13CH3] 34a_200000751567_200025704644 [1,1,0,0,0,0|1,0,1]=4 2856 B13R1.386 C=C=Cc1ccc(c(c1)OC)CO 271570a_100015277604_100011277633 [1,1,0,0,0,0|1,0,1]=4 2857 B13R1.386 C=C=Cc1ccc(c(c1)OC)OC 271570a_100015277604_100000187503 [1,1,0,0,0,0|1,0,1]=4 2858 B13R1.386 CC=Cc1cc(c(cn1)CO)OC 271570a_100016259895_100010714672 [1,1,0,0,0,0|2,0,0]=4 2859 B13R1.386 CC=Cc1ccc(c(c1)CC)OC 271570a_100016259895_200010179862 [1,1,0,0,0,0|2,0,0]=4 2860 B13R1.386 CC=Cc1ccc(c(c1)OC)C#N 271570a_100016259895_100000694671 [1,1,0,0,0,0|2,0,0]=4 2861 B13R1.386 CC=Cc1ccc(c(c1)OC)C=O 271570a_100016259895_100000697075 [1,1,0,0,0,0|1,0,1]=4 2862 B13R1.386 CC=Cc1ccc(c(c1)OC)CC 271570a_100016259895_200010710398 [1,1,0,0,0,0|2,0,0]=4 2863 B13R1.386 CC=Cc1ccc(c(c1)OC)CO 271570a_100016259895_100011277633 [1,1,0,0,0,0|1,0,0]=3 2864 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 271570a_100016259895_100000187503 [1,1,0,0,0,0|1,0,0]=3 2865 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 34a_100015195088_200000210301 [1,1,0,0,0,0|1,0,0]=3 2866 B13R1.386 CC=Cc1ccc(c(c1)OC)O[13CH3] 34a_100015195088_200025704644 [1,1,0,0,0,0|1,0,0]=3 2867 B13R1.386 CC=Cc1ccc(c(c1)OC)SC 271570a_100016259895_200011001119 [1,1,0,0,0,0|1,1,0]=4 2868 B13R1.386 CC=Cc1ccc(c(c1)SC)OC 271570a_100016259895_200009892704 [1,1,0,0,0,0|1,1,0]=4 2869 B13R1.386 CC=Cc1ccc(c(n1)OC)CO 271570a_100016259895_100010988397 [1,1,0,0,0,0|2,0,0]=4 2870 B13R1.386 CC=Cc1ccc(c(n1)OC)OC 271570a_100016259895_100010214848 [1,1,0,0,0,0|2,0,0]=4 2871 B13R1.386 CC=Cc1cnc(c(c1)OC)CO 271570a_100016259895_200010246159 [1,1,0,0,0,0|2,0,0]=4 2872 B13R1.386 CC=Cc1cnc(c(c1)OC)OC 271570a_100016259895_100010234541 [1,1,0,0,0,0|2,0,0]=4 2873 B13R1.386 CCCc1ccc(c(c1)OC)OC 34a_100000012292_200000210301 [1,1,0,0,0,0|1,0,1]=4 2874 B13R1.386 CCCc1ccc(c(c1)OC)OC 7a_100000012292_200000210301 [1,1,0,0,0,0|1,0,1]=4 2875 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 34a_100000012292_200025704644 [1,1,0,0,0,0|1,0,1]=4 2876 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 7a_100000012292_200025704644 [1,1,0,0,0,0|1,0,1]=4 2877 B13R1.386 CCNc1ccc(c(c1)OC)CO 34a_100012183141_100000210202 [1,1,0,0,0,0|2,0,0]=4 2878 B13R1.386 CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210202 [1,1,0,0,0,0|2,0,0]=4 2879 B13R1.386 CCOc1ccc(c(c1)OC)CO 34a_200000116926_100000210202 [1,1,0,0,0,0|2,0,0]=4 2880 B13R1.386 CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210202 [1,1,0,0,0,0|2,0,0]=4 2881 B13R1.386 CCSc1ccc(c(c1)OC)CO 62a_100000210202_100011277633 [1,1,0,0,0,0|2,0,0]=4 2882 B13R1.386 CCSc1ccc(c(c1)OC)CO 62a_100011277633_100000210202 [1,1,0,0,0,0|2,0,0]=4 2883 B13R1.386 CCSc1ccc(c(c1)OC)OC 62a_100000210202_100011356967 [1,1,0,0,0,0|2,0,0]=4 2884 B13R1.386 CNCc1ccc(c(c1)OC)OC 207a_100102657272_100000170513 [1,1,0,0,0,0|1,0,1]=4 2885 B13R1.386 CNCc1ccc(c(c1)OC)OC 2230a_106832991635_100011233839 [1,1,0,0,0,0|1,0,1]=4 2886 B13R1.386 CNCc1ccc(c(c1)OC)OC 270004a_106832991635_100000170513 [1,1,0,0,0,0|1,0,1]=4 2887 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000185555_200000210301 [1,1,0,0,0,0|1,0,1]=4 2888 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000188468_200000210301 [1,1,0,0,0,0|1,0,1]=4 2889 B13R1.386 CNCc1ccc(c(c1)O[13CH3])OC 34a_100000188468_200025704644 [1,1,0,0,0,0|1,0,1]=4 2890 B13R1.386 COCc1ccc(c(c1)OC)OC 34a_100000210929_200000210301 [1,1,0,0,0,0|0,0,1]=3 2891 B13R1.386 COc1ccc(cc1OC)CN[13CH3] 34a_100000185555_200025704644 [1,1,0,0,0,0|1,0,1]=4 2892 B13R1.386 COc1ccc(cc1OC)CO[13CH3] 34a_100000210929_200025704644 [1,1,0,0,0,0|0,0,1]=3 2893 B13R1.386 COc1ccc(cc1OC)CSC 62a_200000210301_100011233839 [1,1,0,0,0,0|0,1,1]=4 2894 B13R1.386 COc1ccc(cc1OC)CS[13CH3] 62a_200025704644_100011233839 [1,1,0,0,0,0|0,1,1]=4 2895 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)O 271570a_100016259895_100000212127 [1,1,0,0,0,0|2,0,0]=4 2896 B13R1.387 CC=Cc1ccc(c(c1)C(C)C)O 271570a_100016259895_100000691460 [1,1,0,0,0,0|2,0,0]=4 2897 B13R1.575 CCCCc1ccc(c(c1)OC)O 271570a_100020621405_100000694246 [1,1,0,0,0,0|1,0,1]=4 2898 B13R1.575 CCCNc1ccc(c(c1)OC)O 34a_100000726020_100000210303 [1,1,0,0,0,0|1,0,1]=4 2899 B13R1.575 CCCSc1ccc(c(c1)OC)O 62a_100000210303_100000694246 [1,1,0,0,0,0|1,0,1]=4 2900 B13R1.575 CCNCc1ccc(c(c1)OC)O 34a_100000185554_100000210202 [1,1,0,0,0,0|1,0,1]=4 2901 B13R1.575 CCOCc1ccc(c(c1)OC)Br 34a_100010234685_100000210202 [1,1,0,0,0,0|1,0,1]=4 2902 B13R1.575 CCOCc1ccc(c(c1)OC)Br 34a_100121572206_100010110085 [1,1,0,0,0,0|1,0,1]=4 2903 B13R1.575 CCOCc1ccc(c(c1)OC)Br 7a_100010234685_100000210202 [1,1,0,0,0,0|1,0,1]=4 2904 B13R1.575 CCOCc1ccc(c(c1)OC)C 34a_100000752651_100000210202 [1,1,0,0,0,0|1,0,1]=4 2905 B13R1.575 CCOCc1ccc(c(c1)OC)C 7a_100000752651_100000210202 [1,1,0,0,0,0|1,0,1]=4 2906 B13R1.575 CCOCc1ccc(c(c1)OC)Cl 34a_100012179228_100000210202 [1,1,0,0,0,0|1,0,1]=4 2907 B13R1.575 CCOCc1ccc(c(c1)OC)Cl 34a_100121572206_200010214485 [1,1,0,0,0,0|1,0,1]=4 2908 B13R1.575 CCOCc1ccc(c(c1)OC)F 34a_100000692429_100000210202 [1,1,0,0,0,0|1,0,1]=4 2909 B13R1.575 CCOCc1ccc(c(c1)OC)F 34a_100121572206_100012349856 [1,1,0,0,0,0|1,0,1]=4 2910 B13R1.575 CCOCc1ccc(c(c1)OC)F 7a_100000692429_100000210202 [1,1,0,0,0,0|1,0,1]=4 2911 B13R1.575 CCOCc1ccc(c(c1)OC)N 34a_100000087641_100000210202 [1,1,0,0,0,0|1,0,1]=4 2912 B13R1.575 CCc1cc(ccc1O)SCOC 62a_100000766300_100012338938 [1,1,0,0,0,0|1,0,1]=4 2913 B13R1.575 CNCCc1ccc(c(c1)OC)O 2230a_106832991635_100010741665 [1,1,0,0,0,0|1,0,1]=4 2914 B13R1.575 CNCCc1ccc(c(c1)OC)O 34a_100000756042_200000210301 [1,1,0,0,0,0|1,0,1]=4 2915 B13R1.575 CNCCc1ccc(c(c1)OC)O 7a_106832991635_100010741665 [1,1,0,0,0,0|1,0,1]=4 2916 B13R1.575 COCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000766300 [1,1,0,0,0,0|1,0,1]=4 2917 B13R1.575 COCNc1ccc(c(c1)OC)C 2230a_100011279678_100000766300 [1,1,0,0,0,0|1,0,1]=4 2918 B13R1.575 COCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000766300 [1,1,0,0,0,0|1,0,1]=4 2919 B13R1.575 COCNc1ccc(c(c1)OC)F 2230a_100000701188_100000766300 [1,1,0,0,0,0|1,0,1]=4 2920 B13R1.575 COCSc1ccc(c(c1)OC)Br 62a_100000766300_100012353699 [1,1,0,0,0,0|1,0,1]=4 2921 B13R1.575 COCSc1ccc(c(c1)OC)Br 62a_100012353699_100000766300 [1,1,0,0,0,0|1,0,1]=4 2922 B13R1.575 COCSc1ccc(c(c1)OC)C 62a_100000766300_100011830276 [1,1,0,0,0,0|1,0,1]=4 2923 B13R1.575 COCSc1ccc(c(c1)OC)C 62a_100011830276_100000766300 [1,1,0,0,0,0|1,0,1]=4 2924 B13R1.575 COCSc1ccc(c(c1)OC)Cl 62a_100000766300_100011356853 [1,1,0,0,0,0|1,0,1]=4 2925 B13R1.575 COCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000766300 [1,1,0,0,0,0|1,0,1]=4 2926 B13R1.575 COCSc1ccc(c(c1)OC)F 62a_100000766300_100011934186 [1,1,0,0,0,0|1,0,1]=4 2927 B13R1.575 COCSc1ccc(c(c1)OC)F 62a_100011934186_100000766300 [1,1,0,0,0,0|1,0,1]=4 2928 B13R1.575 COCSc1ccc(c(c1)OC)N 62a_100000766300_100015196925 [1,1,0,0,0,0|1,0,1]=4 2929 B13R1.575 COCSc1ccc(c(c1)OC)N 62a_100011279103_100000766300 [1,1,0,0,0,0|1,0,1]=4 2930 B13R1.575 COCSc1ccc(c(c1)OC)O 62a_100000766300_100000694246 [1,1,0,0,0,0|0,0,1]=3 2931 B13R1.575 COCSc1ccc(c(n1)OC)O 62a_100000766300_100010893133 [1,1,0,0,0,0|1,0,1]=4 2932 B13R1.575 COc1cc(ccc1Br)COCF 34a_100010234685_100015361967 [1,1,0,0,0,0|1,0,1]=4 2933 B13R1.575 COc1cc(ccc1Br)COCF 7a_100010234685_100015361967 [1,1,0,0,0,0|1,0,1]=4 2934 B13R1.575 COc1cc(ccc1C)COCF 34a_100000752651_100015361967 [1,1,0,0,0,0|1,0,1]=4 2935 B13R1.575 COc1cc(ccc1C)COCF 7a_100000752651_100015361967 [1,1,0,0,0,0|1,0,1]=4 2936 B13R1.575 COc1cc(ccc1Cl)COCF 34a_100012179228_100015361967 [1,1,0,0,0,0|1,0,1]=4 2937 B13R1.575 COc1cc(ccc1F)COCF 34a_100000692429_100015361967 [1,1,0,0,0,0|1,0,1]=4 2938 B13R1.575 COc1cc(ccc1F)COCF 7a_100000692429_100015361967 [1,1,0,0,0,0|1,0,1]=4 2939 B13R1.575 COc1cc(ccc1N)COCF 34a_100000087641_100015361967 [1,1,0,0,0,0|1,0,1]=4 2940 B13R1.575 COc1cc(ccc1O)CCN[13CH3] 34a_100000756042_200025704644 [1,1,0,0,0,0|1,0,1]=4 2941 B13R1.575 COc1cc(ccc1O)CCSC 62a_200000210301_100010741665 [1,1,0,0,0,0|0,1,1]=4 2942 B13R1.575 COc1cc(ccc1O)CCS[13CH3] 62a_200025704644_100010741665 [1,1,0,0,0,0|0,1,1]=4 2943 B13R1.575 COc1cc(ccc1O)CNCF 34a_100000185554_100015361967 [1,1,0,0,0,0|1,0,1]=4 2944 B13R1.575 COc1cc(ccc1O)NCCF 34a_100000726020_100011217306 [1,1,0,0,0,0|2,0,0]=4 2945 B13R1.575 COc1cc(ccc1O)NCCO 34a_100000726020_100000211926 [1,1,0,0,0,0|2,0,0]=4 2946 B13R1.575 COc1cc(ccc1O)NCSC 34a_100000726020_100011218213 [1,1,0,0,0,0|0,1,1]=4 2947 B13R1.575 COc1cc(ccc1O)SCCF 62a_100011217306_100000694246 [1,1,0,0,0,0|2,0,0]=4 2948 B13R1.575 COc1cc(ccc1O)SCCO 62a_100000211926_100000694246 [1,1,0,0,0,0|2,0,0]=4 2949 B13R1.575 COc1cc(ccc1O)SCSC 62a_100011218213_100000694246 [1,1,0,0,0,0|0,1,1]=4 2950 B13R1.1255 CC=Cc1ccc(c(c1F)OC)Cl 271570a_100016259895_200135222481 [1,1,0,0,0,0|2,0,0]=4 2951 B13R1.1255 CC=Cc1ccc(c(c1F)OC)N 271570a_100016259895_100010734149 [1,1,0,0,0,0|2,0,0]=4 2952 B13R1.1255 COCc1ccc(c(c1F)OC)Cl 34a_100009889115_200000210301 [1,1,0,0,0,0|1,0,1]=4 2953 B13R1.1255 COCc1ccc(c(c1F)OC)Cl 34a_100138415774_100010116237 [1,1,0,0,0,0|1,0,1]=4 2954 B13R1.1255 COCc1ccc(c(c1F)OC)Cl 7a_100009889115_200000210301 [1,1,0,0,0,0|1,0,1]=4 2955 B13R1.1255 COCc1ccc(c(c1F)OC)F 34a_100000081355_200000210301 [1,1,0,0,0,0|1,0,1]=4 2956 B13R1.1255 COCc1ccc(c(c1F)OC)F 34a_100138415774_100009814548 [1,1,0,0,0,0|1,0,1]=4 2957 B13R1.1255 COCc1ccc(c(c1F)OC)F 7a_100000081355_200000210301 [1,1,0,0,0,0|1,0,1]=4 2958 B13R1.1255 COc1c(ccc(c1F)CO[13CH3])Cl 34a_100009889115_200025704644 [1,1,0,0,0,0|1,0,1]=4 2959 B13R1.1255 COc1c(ccc(c1F)CO[13CH3])Cl 7a_100009889115_200025704644 [1,1,0,0,0,0|1,0,1]=4 2960 B13R1.1255 COc1c(ccc(c1F)CO[13CH3])F 34a_100000081355_200025704644 [1,1,0,0,0,0|1,0,1]=4 2961 B13R1.1255 COc1c(ccc(c1F)CO[13CH3])F 7a_100000081355_200025704644 [1,1,0,0,0,0|1,0,1]=4 2962 B13R1.2900 C=C=Cc1cc(c(cc1F)O)OC 271570a_100015277604_100010189133 [1,1,0,0,0,0|1,0,1]=4 2963 B13R1.2900 CC=Cc1cc(c(cc1Br)Br)OC 271570a_100016259895_200014006352 [1,1,0,0,0,0|2,0,0]=4 2964 B13R1.2900 CC=Cc1cc(c(cc1C)F)OC 271570a_100016259895_100011009880 [1,1,0,0,0,0|2,0,0]=4 2965 B13R1.2900 CC=Cc1cc(c(cc1C)N)OC 271570a_100016259895_100010141321 [1,1,0,0,0,0|2,0,0]=4 2966 B13R1.2900 CC=Cc1cc(c(cc1F)Cl)OC 271570a_100016259895_100010739614 [1,1,0,0,0,0|2,0,0]=4 2967 B13R1.2900 CC=Cc1cc(c(cc1F)F)OC 271570a_100016259895_200015541288 [1,1,0,0,0,0|2,0,0]=4 2968 B13R1.2900 CC=Cc1cc(c(cc1F)N)OC 271570a_100016259895_100012766639 [1,1,0,0,0,0|2,0,0]=4 2969 B13R1.2900 CC=Cc1cc(c(cc1F)O)OC 271570a_100016259895_100010189133 [1,1,0,0,0,0|1,0,0]=3 2970 B13R1.2900 CC=Cc1cc(c(cc1N)C)OC 271570a_100016259895_200010584344 [1,1,0,0,0,0|2,0,0]=4 2971 B13R1.2900 CC=Cc1cc(c(cc1N)F)OC 271570a_100016259895_100010365326 [1,1,0,0,0,0|2,0,0]=4 2972 B13R1.2900 CCSc1cc(c(cc1F)O)OC 62a_100000210202_100010189133 [1,1,0,0,0,0|2,0,0]=4 2973 B13R1.4030 CC=Cc1cc(c(c(c1)CC)O)C 271570a_100016259895_100010659108 [1,1,0,0,0,0|2,0,0]=4 2974 B13R1.4030 CC=Cc1cc(c(c(c1)OC)F)C 271570a_100016259895_100010271686 [1,1,0,0,0,0|2,0,0]=4 2975 B13R1.4030 CC=Cc1cc(c(c(c1)OC)F)F 271570a_100016259895_100011218012 [1,1,0,0,0,0|2,0,0]=4 2976 B13R1.4030 CC=Cc1cc(c(c(c1)OC)F)O 271570a_100016259895_200015524394 [1,1,0,0,0,0|2,0,0]=4 2977 B13R1.4030 CC=Cc1cc(c(c(c1)OC)N)C 271570a_100016259895_100000741850 [1,1,0,0,0,0|2,0,0]=4 2978 B13R1.4030 CCSc1cc(c(c(c1)OC)O)O 62a_100000210202_200159242197 [1,1,0,0,0,0|2,0,0]=4 2979 B13R1.272 CNS(=O)(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000165156 [1,1,0,0,0,0|2,0,0]=4 2980 B13R1.466 C#CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000184674 [1,1,0,0,0,0|1,0,1]=4 2981 B13R1.466 C#CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000184674 [1,1,0,0,0,0|1,0,1]=4 2982 B13R1.466 C=CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210623 [1,1,0,0,0,0|1,0,1]=4 2983 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210623 [1,1,0,0,0,0|1,0,1]=4 2984 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210303 [1,1,0,0,0,0|2,0,0]=4 2985 B13R1.466 CCCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210303 [1,1,0,0,0,0|2,0,0]=4 2986 B13R1.466 CCCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210303 [1,1,0,0,0,0|2,0,0]=4 2987 B13R1.466 CCCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210303 [1,1,0,0,0,0|2,0,0]=4 2988 B13R1.466 CCCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210303 [1,1,0,0,0,0|2,0,0]=4 2989 B13R1.466 CCCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210303 [1,1,0,0,0,0|2,0,0]=4 2990 B13R1.466 CCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210303 [1,1,0,0,0,0|1,0,0]=3 2991 B13R1.466 CCCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012345043 [1,1,0,0,0,0|1,0,0]=3 2992 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210303 [1,1,0,0,0,0|2,0,0]=4 2993 B13R1.466 CCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210303 [1,1,0,0,0,0|2,0,0]=4 2994 B13R1.466 CCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210303 [1,1,0,0,0,0|2,0,0]=4 2995 B13R1.466 CCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210303 [1,1,0,0,0,0|2,0,0]=4 2996 B13R1.466 CCCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210303 [1,1,0,0,0,0|2,0,0]=4 2997 B13R1.466 CCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210303 [1,1,0,0,0,0|2,0,0]=4 2998 B13R1.466 CCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210303 [1,1,0,0,0,0|2,0,0]=4 2999 B13R1.466 CCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210303 [1,1,0,0,0,0|2,0,0]=4 3000 B13R1.466 CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210303 [1,1,0,0,0,0|1,0,0]=3 3001 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)O 240690a_100015525214_100000189672 [1,1,0,0,0,0|2,0,0]=4 3002 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br 11a_100015525214_100000692631 [1,1,0,0,0,0|2,0,0]=4 3003 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br 240690a_100015525214_100000692631 [1,1,0,0,0,0|2,0,0]=4 3004 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br 527a_100015525214_100000692631 [1,1,0,0,0,0|2,0,0]=4 3005 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C 11a_100015525214_100000210898 [1,1,0,0,0,0|2,0,0]=4 3006 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C 240690a_100015525214_100000210898 [1,1,0,0,0,0|2,0,0]=4 3007 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C 527a_100015525214_100000210898 [1,1,0,0,0,0|2,0,0]=4 3008 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Cl 11a_100015525214_100000686306 [1,1,0,0,0,0|2,0,0]=4 3009 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Cl 240690a_100015525214_100000686306 [1,1,0,0,0,0|2,0,0]=4 3010 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Cl 527a_100015525214_100000686306 [1,1,0,0,0,0|2,0,0]=4 3011 B13R1.466 CCNC(=O)c1ccc(c(c1)C)F 11a_100015525214_100000751819 [1,1,0,0,0,0|2,0,0]=4 3012 B13R1.466 CCNC(=O)c1ccc(c(c1)C)F 240690a_100015525214_100000751819 [1,1,0,0,0,0|2,0,0]=4 3013 B13R1.466 CCNC(=O)c1ccc(c(c1)C)F 527a_100015525214_100000751819 [1,1,0,0,0,0|2,0,0]=4 3014 B13R1.466 CCNC(=O)c1ccc(c(c1)C)I 11a_100015525214_100000751300 [1,1,0,0,0,0|2,0,0]=4 3015 B13R1.466 CCNC(=O)c1ccc(c(c1)C)I 240690a_100015525214_100000751300 [1,1,0,0,0,0|2,0,0]=4 3016 B13R1.466 CCNC(=O)c1ccc(c(c1)C)I 527a_100015525214_100000751300 [1,1,0,0,0,0|2,0,0]=4 3017 B13R1.466 CCNC(=O)c1ccc(c(c1)C)O 240690a_100015525214_100000685612 [1,1,0,0,0,0|1,0,0]=3 3018 B13R1.466 CCNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012357431 [1,1,0,0,0,0|1,0,0]=3 3019 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)O 240690a_100015525214_100000212196 [1,1,0,0,0,0|2,0,0]=4 3020 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)O 527a_100015525214_100000212196 [1,1,0,0,0,0|2,0,0]=4 3021 B13R1.466 CCNC(=O)c1ccc(c(c1)F)O 240690a_100015525214_100000185466 [1,1,0,0,0,0|2,0,0]=4 3022 B13R1.466 CCNC(=O)c1ccc(c(c1)F)O 527a_100015525214_100000185466 [1,1,0,0,0,0|2,0,0]=4 3023 B13R1.466 CCNC(=O)c1ccc(c(c1)I)O 240690a_100015525214_100000037485 [1,1,0,0,0,0|2,0,0]=4 3024 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Br 240690a_100015525214_100000689001 [1,1,0,0,0,0|2,0,0]=4 3025 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Br 527a_100015525214_100000689001 [1,1,0,0,0,0|2,0,0]=4 3026 B13R1.466 CCNC(=O)c1ccc(c(c1)O)C 240690a_100015525214_100000233767 [1,1,0,0,0,0|2,0,0]=4 3027 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Cl 240690a_100015525214_100011933997 [1,1,0,0,0,0|2,0,0]=4 3028 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Cl 527a_100015525214_100011933997 [1,1,0,0,0,0|2,0,0]=4 3029 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F 240690a_100015525214_100000035894 [1,1,0,0,0,0|2,0,0]=4 3030 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359900 [1,1,0,0,0,0|2,0,0]=4 3031 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F 527a_100015525214_100000035894 [1,1,0,0,0,0|2,0,0]=4 3032 B13R1.466 CCNC(=O)c1ccc(c(c1)O)I 240690a_100015525214_100000239334 [1,1,0,0,0,0|2,0,0]=4 3033 B13R1.466 CCNC(=O)c1ccc(c(c1)O)I 527a_100015525214_100000239334 [1,1,0,0,0,0|2,0,0]=4 3034 B13R1.466 CCOC(=O)c1cc(c(cn1)C)O 271570a_203496583355_100009880029 [1,1,0,0,0,0|2,0,0]=4 3035 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294787 [1,1,0,0,0,0|1,0,0]=3 3036 B13R1.466 CCOC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100012229600 [1,1,0,0,0,0|0,0,0]=2 3037 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_200012351148 [1,1,0,0,0,0|1,0,0]=3 3038 B13R1.466 CCOC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100011533738 [1,1,0,0,0,0|1,0,0]=3 3039 B13R1.466 CCOC(=O)c1ccc(c(c1)N)O 271570a_203496583355_200011450955 [1,1,0,0,0,0|1,0,0]=3 3040 B13R1.466 CCOC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100012359631 [1,1,0,0,0,0|1,0,0]=3 3041 B13R1.466 CCOC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011934563 [1,1,0,0,0,0|1,0,0]=3 3042 B13R1.466 CCOC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100161115259 [1,1,0,0,0,0|1,0,0]=3 3043 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100009812659 [1,1,0,0,0,0|0,0,0]=2 3044 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012355281 [1,1,0,0,0,0|0,0,0]=2 3045 B13R1.466 CCOC(=O)c1ccc(c(n1)O)C 271570a_203496583355_200009853511 [1,1,0,0,0,0|2,0,0]=4 3046 B13R1.466 CCOC(=O)c1ccc(c(n1)O)O 271570a_203496583355_100010189761 [1,1,0,0,0,0|1,0,0]=3 3047 B13R1.466 CCOC(=O)c1cnc(c(c1)O)N 271570a_203496583355_100009816805 [1,1,0,0,0,0|2,0,0]=4 3048 B13R1.466 CCOC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010004467 [1,1,0,0,0,0|1,0,0]=3 3049 B13R1.466 CCOC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010179890 [1,1,0,0,0,0|1,0,0]=3 3050 B13R1.466 CNCC(=O)c1ccc(c(c1)C)C 2230a_106832991635_100000183365 [1,1,0,0,0,0|2,0,0]=4 3051 B13R1.466 CNCC(=O)c1ccc(c(c1)C)C 7a_106832991635_100000183365 [1,1,0,0,0,0|2,0,0]=4 3052 B13R1.466 CNCC(=O)c1ccc(c(c1)C)Cl 7a_106832991635_200011216723 [1,1,0,0,0,0|2,0,0]=4 3053 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)O 7a_106832991635_200010170092 [1,1,0,0,0,0|2,0,0]=4 3054 B13R1.466 CNCC(=O)c1ccc(c(c1)O)O 7a_106832991635_100000183813 [1,1,0,0,0,0|1,0,0]=3 3055 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)O 22a_100016993582_100000189672 [1,1,0,0,0,0|2,0,0]=4 3056 B13R1.466 CNNC(=O)c1ccc(c(c1)C)Br 22a_100016993582_100000692631 [1,1,0,0,0,0|2,0,0]=4 3057 B13R1.466 CNNC(=O)c1ccc(c(c1)C)C 22a_100016993582_100000210898 [1,1,0,0,0,0|2,0,0]=4 3058 B13R1.466 CNNC(=O)c1ccc(c(c1)C)Cl 22a_100016993582_100000686306 [1,1,0,0,0,0|2,0,0]=4 3059 B13R1.466 CNNC(=O)c1ccc(c(c1)C)F 22a_100016993582_100000751819 [1,1,0,0,0,0|2,0,0]=4 3060 B13R1.466 CNNC(=O)c1ccc(c(c1)C)I 22a_100016993582_100000751300 [1,1,0,0,0,0|2,0,0]=4 3061 B13R1.466 CNNC(=O)c1ccc(c(c1)C)O 22a_100016993582_100000685612 [1,1,0,0,0,0|1,0,0]=3 3062 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)O 22a_100016993582_100000212196 [1,1,0,0,0,0|2,0,0]=4 3063 B13R1.466 CNNC(=O)c1ccc(c(c1)F)O 22a_100016993582_100000185466 [1,1,0,0,0,0|2,0,0]=4 3064 B13R1.466 CNNC(=O)c1ccc(c(c1)I)O 22a_100016993582_100000037485 [1,1,0,0,0,0|2,0,0]=4 3065 B13R1.466 CNNC(=O)c1ccc(c(c1)O)Br 22a_100016993582_100000689001 [1,1,0,0,0,0|2,0,0]=4 3066 B13R1.466 CNNC(=O)c1ccc(c(c1)O)C 22a_100016993582_100000233767 [1,1,0,0,0,0|2,0,0]=4 3067 B13R1.466 CNNC(=O)c1ccc(c(c1)O)Cl 22a_100016993582_100011933997 [1,1,0,0,0,0|2,0,0]=4 3068 B13R1.466 CNNC(=O)c1ccc(c(c1)O)F 22a_100016993582_100000035894 [1,1,0,0,0,0|2,0,0]=4 3069 B13R1.466 CNNC(=O)c1ccc(c(c1)O)I 22a_100016993582_100000239334 [1,1,0,0,0,0|2,0,0]=4 3070 B13R1.466 COCC(=O)c1ccc(c(c1)Br)C 34a_100138415774_100012346676 [1,1,0,0,0,0|2,0,0]=4 3071 B13R1.466 COCC(=O)c1ccc(c(c1)Br)F 34a_100138415774_100011217175 [1,1,0,0,0,0|2,0,0]=4 3072 B13R1.466 COCC(=O)c1ccc(c(c1)Cl)Br 34a_100138415774_200012349649 [1,1,0,0,0,0|2,0,0]=4 3073 B13R1.466 COCC(=O)c1ccc(c(c1)Cl)Cl 7a_100000246375_200000210301 [1,1,0,0,0,0|2,0,0]=4 3074 B13R1.466 COCC(=O)c1ccc(c(c1)Cl)F 34a_100138415774_100000757878 [1,1,0,0,0,0|2,0,0]=4 3075 B13R1.466 COCC(=O)c1ccc(c(c1)F)Br 34a_100138415774_100012361357 [1,1,0,0,0,0|2,0,0]=4 3076 B13R1.466 COCC(=O)c1ccc(c(c1)F)C 34a_100138415774_100011219196 [1,1,0,0,0,0|2,0,0]=4 3077 B13R1.466 COCC(=O)c1ccc(c(c1)F)Cl 34a_100138415774_100012351892 [1,1,0,0,0,0|2,0,0]=4 3078 B13R1.466 COCC(=O)c1ccc(c(c1)F)F 34a_100138415774_100000183380 [1,1,0,0,0,0|2,0,0]=4 3079 B13R1.466 CSCC(=O)c1ccc(c(c1)C)C 62a_100000183365_200000210301 [1,1,0,0,0,0|1,1,0]=4 3080 B13R1.466 CSCC(=O)c1ccc(c(c1)C)C 62a_200000210301_100000183365 [1,1,0,0,0,0|1,1,0]=4 3081 B13R1.466 CSCC(=O)c1ccc(c(c1)C)Cl 62a_200000210301_200011216723 [1,1,0,0,0,0|1,1,0]=4 3082 B13R1.466 CSCC(=O)c1ccc(c(c1)C)Cl 62a_200011216723_200000210301 [1,1,0,0,0,0|1,1,0]=4 3083 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)O 62a_200000210301_200010170092 [1,1,0,0,0,0|1,1,0]=4 3084 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_200000210301 [1,1,0,0,0,0|1,1,0]=4 3085 B13R1.466 CSCC(=O)c1ccc(c(c1)O)O 62a_200000210301_100000183813 [1,1,0,0,0,0|0,1,0]=3 3086 B13R1.466 Cc1cc(ccc1Br)C(=O)CCF 1458a_100000692631_100011217306 [1,1,0,0,0,0|2,0,0]=4 3087 B13R1.466 Cc1cc(ccc1Br)C(=O)CCO 1458a_100000692631_100000211926 [1,1,0,0,0,0|2,0,0]=4 3088 B13R1.466 Cc1cc(ccc1Cl)C(=O)CCF 1458a_100000686306_100011217306 [1,1,0,0,0,0|2,0,0]=4 3089 B13R1.466 Cc1cc(ccc1Cl)C(=O)CCO 1458a_100000686306_100000211926 [1,1,0,0,0,0|2,0,0]=4 3090 B13R1.466 Cc1cc(ccc1Cl)C(=O)CS[13CH3] 62a_200011216723_200025704644 [1,1,0,0,0,0|1,1,0]=4 3091 B13R1.466 Cc1cc(ccc1Cl)C(=O)CS[13CH3] 62a_200025704644_200011216723 [1,1,0,0,0,0|1,1,0]=4 3092 B13R1.466 Cc1cc(ccc1F)C(=O)CCF 1458a_100000751819_100011217306 [1,1,0,0,0,0|2,0,0]=4 3093 B13R1.466 Cc1cc(ccc1F)C(=O)CCO 1458a_100000751819_100000211926 [1,1,0,0,0,0|2,0,0]=4 3094 B13R1.466 Cc1cc(ccc1I)C(=O)CCF 1458a_100000751300_100011217306 [1,1,0,0,0,0|2,0,0]=4 3095 B13R1.466 Cc1cc(ccc1I)C(=O)CCO 1458a_100000751300_100000211926 [1,1,0,0,0,0|2,0,0]=4 3096 B13R1.466 Cc1cc(ccc1O)C(=O)CC#N 1458a_100000685612_100011214920 [1,1,0,0,0,0|1,0,1]=4 3097 B13R1.466 Cc1cc(ccc1O)C(=O)CCF 1458a_100000685612_100011217306 [1,1,0,0,0,0|1,0,0]=3 3098 B13R1.466 Cc1cc(ccc1O)C(=O)CCO 1458a_100000685612_100000211926 [1,1,0,0,0,0|1,0,0]=3 3099 B13R1.466 Cc1ccc(cc1C)C(=O)CCF 1458a_100000210898_100011217306 [1,1,0,0,0,0|2,0,0]=4 3100 B13R1.466 Cc1ccc(cc1C)C(=O)CCO 1458a_100000210898_100000211926 [1,1,0,0,0,0|2,0,0]=4 3101 B13R1.466 Cc1ccc(cc1C)C(=O)CS[13CH3] 62a_100000183365_200025704644 [1,1,0,0,0,0|1,1,0]=4 3102 B13R1.466 Cc1ccc(cc1C)C(=O)CS[13CH3] 62a_200025704644_100000183365 [1,1,0,0,0,0|1,1,0]=4 3103 B13R1.466 Cc1ccc(cc1O)C(=O)CCF 1458a_100000233767_100011217306 [1,1,0,0,0,0|2,0,0]=4 3104 B13R1.466 Cc1ccc(cc1O)C(=O)CCO 1458a_100000233767_100000211926 [1,1,0,0,0,0|2,0,0]=4 3105 B13R1.466 N#CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011214920 [1,1,0,0,0,0|1,0,1]=4 3106 B13R1.466 O=C(CCF)c1ccc(c(c1)Br)O 1458a_100000189672_100011217306 [1,1,0,0,0,0|2,0,0]=4 3107 B13R1.466 O=C(CCF)c1ccc(c(c1)Cl)O 1458a_100000212196_100011217306 [1,1,0,0,0,0|2,0,0]=4 3108 B13R1.466 O=C(CCF)c1ccc(c(c1)F)O 1458a_100000185466_100011217306 [1,1,0,0,0,0|2,0,0]=4 3109 B13R1.466 O=C(CCF)c1ccc(c(c1)I)O 1458a_100000037485_100011217306 [1,1,0,0,0,0|2,0,0]=4 3110 B13R1.466 O=C(CCF)c1ccc(c(c1)O)Br 1458a_100000689001_100011217306 [1,1,0,0,0,0|2,0,0]=4 3111 B13R1.466 O=C(CCF)c1ccc(c(c1)O)Cl 1458a_100011933997_100011217306 [1,1,0,0,0,0|2,0,0]=4 3112 B13R1.466 O=C(CCF)c1ccc(c(c1)O)F 1458a_100000035894_100011217306 [1,1,0,0,0,0|2,0,0]=4 3113 B13R1.466 O=C(CCF)c1ccc(c(c1)O)I 1458a_100000239334_100011217306 [1,1,0,0,0,0|2,0,0]=4 3114 B13R1.466 O=C(CCF)c1ccc(c(c1)O)O 1458a_100000212155_100011217306 [1,1,0,0,0,0|1,0,0]=3 3115 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)O 1458a_100000189672_100000211926 [1,1,0,0,0,0|2,0,0]=4 3116 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)O 1458a_100000212196_100000211926 [1,1,0,0,0,0|2,0,0]=4 3117 B13R1.466 O=C(CCO)c1ccc(c(c1)F)O 1458a_100000185466_100000211926 [1,1,0,0,0,0|2,0,0]=4 3118 B13R1.466 O=C(CCO)c1ccc(c(c1)I)O 1458a_100000037485_100000211926 [1,1,0,0,0,0|2,0,0]=4 3119 B13R1.466 O=C(CCO)c1ccc(c(c1)O)Br 1458a_100000689001_100000211926 [1,1,0,0,0,0|2,0,0]=4 3120 B13R1.466 O=C(CCO)c1ccc(c(c1)O)Cl 1458a_100011933997_100000211926 [1,1,0,0,0,0|2,0,0]=4 3121 B13R1.466 O=C(CCO)c1ccc(c(c1)O)F 1458a_100000035894_100000211926 [1,1,0,0,0,0|2,0,0]=4 3122 B13R1.466 O=C(CCO)c1ccc(c(c1)O)I 1458a_100000239334_100000211926 [1,1,0,0,0,0|2,0,0]=4 3123 B13R1.466 O=C(CCO)c1ccc(c(c1)O)O 1458a_100000212155_100000211926 [1,1,0,0,0,0|1,0,0]=3 3124 B13R1.466 [13CH3]OCC(=O)c1ccc(c(c1)Cl)Cl 7a_100000246375_200025704644 [1,1,0,0,0,0|2,0,0]=4 3125 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_200025704644 [1,1,0,0,0,0|1,1,0]=4 3126 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)O 62a_200025704644_200010170092 [1,1,0,0,0,0|1,1,0]=4 3127 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)O)O 62a_200025704644_100000183813 [1,1,0,0,0,0|0,1,0]=3 3128 B13R1.510 CC(=C(C)c1ccc(c(c1)C)O)C 271570a_200000049429_100000186361 [1,1,0,0,0,0|2,0,0]=4 3129 B13R1.510 CC(=C(C)c1ccc(c(c1)O)O)C 271570a_200000049429_100009813601 [1,1,0,0,0,0|2,0,0]=4 3130 B13R1.510 CC(C)C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210206 [1,1,0,0,0,0|2,0,0]=4 3131 B13R1.510 CC(C)C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210206 [1,1,0,0,0,0|2,0,0]=4 3132 B13R1.510 CC(C)C(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210206 [1,1,0,0,0,0|2,0,0]=4 3133 B13R1.510 CC(C)C(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210206 [1,1,0,0,0,0|2,0,0]=4 3134 B13R1.510 CC(C)C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210206 [1,1,0,0,0,0|2,0,0]=4 3135 B13R1.510 CC(C)C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210206 [1,1,0,0,0,0|2,0,0]=4 3136 B13R1.510 CC(C)C(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210206 [1,1,0,0,0,0|2,0,0]=4 3137 B13R1.510 CC(C)C(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210206 [1,1,0,0,0,0|2,0,0]=4 3138 B13R1.510 CC(C)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210206 [1,1,0,0,0,0|1,0,0]=3 3139 B13R1.510 CN(C)C(=O)c1ccc(c(c1)Br)O 240690a_100102631434_100000189672 [1,1,0,0,0,0|2,0,0]=4 3140 B13R1.510 CN(C)C(=O)c1ccc(c(c1)Cl)O 240690a_100102631434_100000212196 [1,1,0,0,0,0|2,0,0]=4 3141 B13R1.510 CN(C)C(=O)c1ccc(c(c1)Cl)O 527a_100102631434_100000212196 [1,1,0,0,0,0|2,0,0]=4 3142 B13R1.510 CN(C)C(=O)c1ccc(c(c1)F)O 240690a_100102631434_100000185466 [1,1,0,0,0,0|2,0,0]=4 3143 B13R1.510 CN(C)C(=O)c1ccc(c(c1)F)O 527a_100102631434_100000185466 [1,1,0,0,0,0|2,0,0]=4 3144 B13R1.510 CN(C)C(=O)c1ccc(c(c1)I)O 1626a_100102631434_100000037485 [1,1,0,0,0,0|2,0,0]=4 3145 B13R1.510 CN(C)C(=O)c1ccc(c(c1)I)O 240690a_100102631434_100000037485 [1,1,0,0,0,0|2,0,0]=4 3146 B13R1.510 CN(C)C(=O)c1ccc(c(c1)O)Br 240690a_100102631434_100000689001 [1,1,0,0,0,0|2,0,0]=4 3147 B13R1.510 CN(C)C(=O)c1ccc(c(c1)O)Br 527a_100102631434_100000689001 [1,1,0,0,0,0|2,0,0]=4 3148 B13R1.510 CN(C)C(=O)c1ccc(c(c1)O)Cl 240690a_100102631434_100011933997 [1,1,0,0,0,0|2,0,0]=4 3149 B13R1.510 CN(C)C(=O)c1ccc(c(c1)O)Cl 527a_100102631434_100011933997 [1,1,0,0,0,0|2,0,0]=4 3150 B13R1.510 CN(C)C(=O)c1ccc(c(c1)O)F 240690a_100102631434_100000035894 [1,1,0,0,0,0|2,0,0]=4 3151 B13R1.510 CN(C)C(=O)c1ccc(c(c1)O)F 527a_100102631434_100000035894 [1,1,0,0,0,0|2,0,0]=4 3152 B13R1.510 CN(C)C(=O)c1ccc(c(c1)O)I 1626a_100102631434_100000239334 [1,1,0,0,0,0|2,0,0]=4 3153 B13R1.510 CN(C)C(=O)c1ccc(c(c1)O)I 240690a_100102631434_100000239334 [1,1,0,0,0,0|2,0,0]=4 3154 B13R1.510 CN(C)C(=O)c1ccc(c(c1)O)I 527a_100102631434_100000239334 [1,1,0,0,0,0|2,0,0]=4 3155 B13R1.510 Cc1cc(ccc1Br)C(=O)C(C)C 1458a_100000692631_100000210206 [1,1,0,0,0,0|2,0,0]=4 3156 B13R1.510 Cc1cc(ccc1Br)C(=O)N(C)C 11a_100102631434_100000692631 [1,1,0,0,0,0|2,0,0]=4 3157 B13R1.510 Cc1cc(ccc1Br)C(=O)N(C)C 1626a_100102631434_100000692631 [1,1,0,0,0,0|2,0,0]=4 3158 B13R1.510 Cc1cc(ccc1Br)C(=O)N(C)C 240690a_100102631434_100000692631 [1,1,0,0,0,0|2,0,0]=4 3159 B13R1.510 Cc1cc(ccc1Br)C(=O)N(C)C 527a_100102631434_100000692631 [1,1,0,0,0,0|2,0,0]=4 3160 B13R1.510 Cc1cc(ccc1Cl)C(=O)C(C)C 1458a_100000686306_100000210206 [1,1,0,0,0,0|2,0,0]=4 3161 B13R1.510 Cc1cc(ccc1Cl)C(=O)N(C)C 11a_100102631434_100000686306 [1,1,0,0,0,0|2,0,0]=4 3162 B13R1.510 Cc1cc(ccc1Cl)C(=O)N(C)C 1626a_100102631434_100000686306 [1,1,0,0,0,0|2,0,0]=4 3163 B13R1.510 Cc1cc(ccc1Cl)C(=O)N(C)C 240690a_100102631434_100000686306 [1,1,0,0,0,0|2,0,0]=4 3164 B13R1.510 Cc1cc(ccc1Cl)C(=O)N(C)C 527a_100102631434_100000686306 [1,1,0,0,0,0|2,0,0]=4 3165 B13R1.510 Cc1cc(ccc1F)C(=O)C(C)C 1458a_100000751819_100000210206 [1,1,0,0,0,0|2,0,0]=4 3166 B13R1.510 Cc1cc(ccc1F)C(=O)N(C)C 11a_100102631434_100000751819 [1,1,0,0,0,0|2,0,0]=4 3167 B13R1.510 Cc1cc(ccc1F)C(=O)N(C)C 1626a_100102631434_100000751819 [1,1,0,0,0,0|2,0,0]=4 3168 B13R1.510 Cc1cc(ccc1F)C(=O)N(C)C 240690a_100102631434_100000751819 [1,1,0,0,0,0|2,0,0]=4 3169 B13R1.510 Cc1cc(ccc1F)C(=O)N(C)C 527a_100102631434_100000751819 [1,1,0,0,0,0|2,0,0]=4 3170 B13R1.510 Cc1cc(ccc1I)C(=O)C(C)C 1458a_100000751300_100000210206 [1,1,0,0,0,0|2,0,0]=4 3171 B13R1.510 Cc1cc(ccc1I)C(=O)N(C)C 11a_100102631434_100000751300 [1,1,0,0,0,0|2,0,0]=4 3172 B13R1.510 Cc1cc(ccc1I)C(=O)N(C)C 1626a_100102631434_100000751300 [1,1,0,0,0,0|2,0,0]=4 3173 B13R1.510 Cc1cc(ccc1I)C(=O)N(C)C 240690a_100102631434_100000751300 [1,1,0,0,0,0|2,0,0]=4 3174 B13R1.510 Cc1cc(ccc1I)C(=O)N(C)C 527a_100102631434_100000751300 [1,1,0,0,0,0|2,0,0]=4 3175 B13R1.510 Cc1cc(ccc1O)C(=O)C(C)C 1458a_100000685612_100000210206 [1,1,0,0,0,0|1,0,0]=3 3176 B13R1.510 Cc1cc(ccc1O)C(=O)N(C)C 240690a_100102631434_100000685612 [1,1,0,0,0,0|1,0,0]=3 3177 B13R1.510 Cc1ccc(cc1C)C(=O)C(C)C 1458a_100000210898_100000210206 [1,1,0,0,0,0|2,0,0]=4 3178 B13R1.510 Cc1ccc(cc1C)C(=O)N(C)C 11a_100102631434_100000210898 [1,1,0,0,0,0|2,0,0]=4 3179 B13R1.510 Cc1ccc(cc1C)C(=O)N(C)C 1626a_100102631434_100000210898 [1,1,0,0,0,0|2,0,0]=4 3180 B13R1.510 Cc1ccc(cc1C)C(=O)N(C)C 240690a_100102631434_100000210898 [1,1,0,0,0,0|2,0,0]=4 3181 B13R1.510 Cc1ccc(cc1C)C(=O)N(C)C 527a_100102631434_100000210898 [1,1,0,0,0,0|2,0,0]=4 3182 B13R1.510 Cc1ccc(cc1O)C(=O)C(C)C 1458a_100000233767_100000210206 [1,1,0,0,0,0|2,0,0]=4 3183 B13R1.510 Cc1ccc(cc1O)C(=O)N(C)C 240690a_100102631434_100000233767 [1,1,0,0,0,0|2,0,0]=4 3184 B13R1.1807 CCC(=O)c1cc(c(cc1Br)F)C 1458a_100010204433_100000210202 [1,1,0,0,0,0|2,0,0]=4 3185 B13R1.1807 CCC(=O)c1cc(c(cc1C)Br)C 1458a_100000695896_100000210202 [1,1,0,0,0,0|2,0,0]=4 3186 B13R1.1807 CCC(=O)c1cc(c(cc1C)C)C 1458a_100011216168_100000210202 [1,1,0,0,0,0|2,0,0]=4 3187 B13R1.1807 CCC(=O)c1cc(c(cc1Cl)F)C 1458a_100000687843_100000210202 [1,1,0,0,0,0|2,0,0]=4 3188 B13R1.1807 CCC(=O)c1cc(c(cc1F)Br)C 1458a_100012354683_100000210202 [1,1,0,0,0,0|2,0,0]=4 3189 B13R1.1807 CCC(=O)c1cc(c(cc1F)C)O 1458a_100009839767_100000210202 [1,1,0,0,0,0|2,0,0]=4 3190 B13R1.1807 CCC(=O)c1cc(c(cc1F)F)C 1458a_100000767126_100000210202 [1,1,0,0,0,0|2,0,0]=4 3191 B13R1.1807 CCC(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_100000210202 [1,1,0,0,0,0|2,0,0]=4 3192 B13R1.1807 CCC(=O)c1cc(c(cc1I)C)C 1458a_100010184404_100000210202 [1,1,0,0,0,0|2,0,0]=4 3193 B13R1.1807 CCC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_100000210202 [1,1,0,0,0,0|2,0,0]=4 3194 B13R1.1807 CCC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_100000210202 [1,1,0,0,0,0|2,0,0]=4 3195 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)C 11a_106832991635_100010204433 [1,1,0,0,0,0|2,0,0]=4 3196 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)C 1626a_100102657272_100010204433 [1,1,0,0,0,0|2,0,0]=4 3197 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)C 240690a_100102657272_100010204433 [1,1,0,0,0,0|2,0,0]=4 3198 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)C 527a_100102657272_100010204433 [1,1,0,0,0,0|2,0,0]=4 3199 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)C 11a_106832991635_100000695896 [1,1,0,0,0,0|2,0,0]=4 3200 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)C 1626a_100102657272_100000695896 [1,1,0,0,0,0|2,0,0]=4 3201 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)C 240690a_100102657272_100000695896 [1,1,0,0,0,0|2,0,0]=4 3202 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)C 527a_100102657272_100000695896 [1,1,0,0,0,0|2,0,0]=4 3203 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)C 11a_106832991635_100011216168 [1,1,0,0,0,0|2,0,0]=4 3204 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)C 1626a_100102657272_100011216168 [1,1,0,0,0,0|2,0,0]=4 3205 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)C 240690a_100102657272_100011216168 [1,1,0,0,0,0|2,0,0]=4 3206 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)C 527a_100102657272_100011216168 [1,1,0,0,0,0|2,0,0]=4 3207 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)C 11a_106832991635_100000687843 [1,1,0,0,0,0|2,0,0]=4 3208 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)C 1626a_100102657272_100000687843 [1,1,0,0,0,0|2,0,0]=4 3209 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)C 240690a_100102657272_100000687843 [1,1,0,0,0,0|2,0,0]=4 3210 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)C 527a_100102657272_100000687843 [1,1,0,0,0,0|2,0,0]=4 3211 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)C 11a_106832991635_100012354683 [1,1,0,0,0,0|2,0,0]=4 3212 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)C 1626a_100102657272_100012354683 [1,1,0,0,0,0|2,0,0]=4 3213 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)C 240690a_100102657272_100012354683 [1,1,0,0,0,0|2,0,0]=4 3214 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)C 527a_100102657272_100012354683 [1,1,0,0,0,0|2,0,0]=4 3215 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)O 240690a_100102657272_100009839767 [1,1,0,0,0,0|2,0,0]=4 3216 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)C 11a_106832991635_100000767126 [1,1,0,0,0,0|2,0,0]=4 3217 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)C 1626a_100102657272_100000767126 [1,1,0,0,0,0|2,0,0]=4 3218 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)C 240690a_100102657272_100000767126 [1,1,0,0,0,0|2,0,0]=4 3219 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)C 527a_100102657272_100000767126 [1,1,0,0,0,0|2,0,0]=4 3220 B13R1.1807 CNC(=O)c1cc(c(cc1F)O)Cl 240690a_100102657272_200009924051 [1,1,0,0,0,0|2,0,0]=4 3221 B13R1.1807 CNC(=O)c1cc(c(cc1F)O)Cl 527a_100102657272_200009924051 [1,1,0,0,0,0|2,0,0]=4 3222 B13R1.1807 CNC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_200107972064 [1,1,0,0,0,0|2,0,0]=4 3223 B13R1.1807 CNC(=O)c1cc(c(cc1I)C)C 11a_106832991635_100010184404 [1,1,0,0,0,0|2,0,0]=4 3224 B13R1.1807 CNC(=O)c1cc(c(cc1I)C)C 1626a_100102657272_100010184404 [1,1,0,0,0,0|2,0,0]=4 3225 B13R1.1807 CNC(=O)c1cc(c(cc1I)C)C 240690a_100102657272_100010184404 [1,1,0,0,0,0|2,0,0]=4 3226 B13R1.1807 CNC(=O)c1cc(c(cc1I)C)C 527a_100102657272_100010184404 [1,1,0,0,0,0|2,0,0]=4 3227 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)C 240690a_100102657272_100009831561 [1,1,0,0,0,0|2,0,0]=4 3228 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)C 527a_100102657272_100009831561 [1,1,0,0,0,0|2,0,0]=4 3229 B13R1.1807 CNC(=O)c1cc(c(cc1O)O)Br 527a_100102657272_100009813906 [1,1,0,0,0,0|2,0,0]=4 3230 B13R1.1807 COC(=O)c1cc(c(cc1C)C)O 271570a_203496583355_200012360129 [1,1,0,0,0,0|1,0,0]=3 3231 B13R1.1807 COC(=O)c1cc(c(cc1C)F)O 271570a_203496583355_100013328185 [1,1,0,0,0,0|1,0,0]=3 3232 B13R1.1807 COC(=O)c1cc(c(cc1C)N)O 271570a_203496583355_100010236254 [1,1,0,0,0,0|1,0,0]=3 3233 B13R1.1807 COC(=O)c1cc(c(cc1C)O)F 271570a_203496583355_100010291504 [1,1,0,0,0,0|1,0,0]=3 3234 B13R1.1807 COC(=O)c1cc(c(cc1Cl)C)O 271570a_203496583355_100014124666 [1,1,0,0,0,0|1,0,0]=3 3235 B13R1.1807 COC(=O)c1cc(c(cc1Cl)N)O 271570a_203496583355_100010204190 [1,1,0,0,0,0|1,0,0]=3 3236 B13R1.1807 COC(=O)c1cc(c(cc1F)C)O 271570a_203496583355_100012920548 [1,1,0,0,0,0|1,0,0]=3 3237 B13R1.1807 COC(=O)c1cc(c(cc1F)Cl)O 271570a_203496583355_100012920370 [1,1,0,0,0,0|1,0,0]=3 3238 B13R1.1807 COC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100000718433 [1,1,0,0,0,0|1,0,0]=3 3239 B13R1.1807 COC(=O)c1cc(c(cc1F)N)O 271570a_203496583355_100010764354 [1,1,0,0,0,0|1,0,0]=3 3240 B13R1.1807 COC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100010769226 [1,1,0,0,0,0|1,0,0]=3 3241 B13R1.1807 COC(=O)c1cc(c(cc1F)O)N 271570a_203496583355_100000760059 [1,1,0,0,0,0|1,0,0]=3 3242 B13R1.1807 COC(=O)c1cc(c(cc1N)C)O 271570a_203496583355_100010892302 [1,1,0,0,0,0|1,0,0]=3 3243 B13R1.1807 COC(=O)c1cc(c(cc1N)Cl)O 271570a_203496583355_100010253894 [1,1,0,0,0,0|1,0,0]=3 3244 B13R1.1807 COC(=O)c1cc(c(cc1N)F)O 271570a_203496583355_100000699149 [1,1,0,0,0,0|1,0,0]=3 3245 B13R1.1807 COC(=O)c1cc(c(cc1N)O)F 271570a_203496583355_100000724440 [1,1,0,0,0,0|1,0,0]=3 3246 B13R1.1807 COC(=O)c1cc(c(cc1O)Br)F 271570a_203496583355_100014686389 [1,1,0,0,0,0|2,0,0]=4 3247 B13R1.1807 COC(=O)c1cc(c(cc1O)C)F 271570a_203496583355_100015763395 [1,1,0,0,0,0|2,0,0]=4 3248 B13R1.1807 COC(=O)c1cc(c(cc1O)C)N 271570a_203496583355_100000730709 [1,1,0,0,0,0|2,0,0]=4 3249 B13R1.1807 COC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_100010233952 [1,1,0,0,0,0|1,0,0]=3 3250 B13R1.1807 COC(=O)c1cc(c(cc1O)Cl)Br 271570a_203496583355_200012920379 [1,1,0,0,0,0|2,0,0]=4 3251 B13R1.1807 COC(=O)c1cc(c(cc1O)F)C 271570a_203496583355_100015451887 [1,1,0,0,0,0|1,0,0]=3 3252 B13R1.1807 COC(=O)c1cc(c(cc1O)F)F 271570a_203496583355_100010195689 [1,1,0,0,0,0|2,0,0]=4 3253 B13R1.1807 COC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100010371811 [1,1,0,0,0,0|1,0,0]=3 3254 B13R1.1807 COC(=O)c1cc(c(cc1O)N)F 271570a_203496583355_100010764352 [1,1,0,0,0,0|2,0,0]=4 3255 B13R1.1807 COC(=O)c1cc(c(cc1O)N)O 271570a_203496583355_100010075205 [1,1,0,0,0,0|1,0,0]=3 3256 B13R1.1807 COC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_100010760826 [1,1,0,0,0,0|1,0,0]=3 3257 B13R1.1807 COC(=O)c1cc(c(nc1C)N)O 271570a_203496583355_200020932694 [1,1,0,0,0,0|2,0,0]=4 3258 B13R1.1807 COC(=O)c1cc(c(nc1C)O)O 271570a_203496583355_100000729808 [1,1,0,0,0,0|1,0,0]=3 3259 B13R1.1808 CCC(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_100000210202 [1,1,0,0,0,0|2,0,0]=4 3260 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)C)Cl 1458a_100010074829_100000210202 [1,1,0,0,0,0|2,0,0]=4 3261 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)C)F 1458a_100000061447_100000210202 [1,1,0,0,0,0|2,0,0]=4 3262 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000210202 [1,1,0,0,0,0|1,0,0]=3 3263 B13R1.1808 CCC(=O)c1ccc(c(c1F)C)Br 1458a_100000722919_100000210202 [1,1,0,0,0,0|2,0,0]=4 3264 B13R1.1808 CCC(=O)c1ccc(c(c1F)C)C 1458a_100010768504_100000210202 [1,1,0,0,0,0|2,0,0]=4 3265 B13R1.1808 CCC(=O)c1ccc(c(c1F)C)Cl 1458a_100012183103_100000210202 [1,1,0,0,0,0|2,0,0]=4 3266 B13R1.1808 CCC(=O)c1ccc(c(c1F)C)F 1458a_100000067293_100000210202 [1,1,0,0,0,0|2,0,0]=4 3267 B13R1.1808 CCC(=O)c1ccc(c(c1F)F)O 1458a_100000036740_100000210202 [1,1,0,0,0,0|2,0,0]=4 3268 B13R1.1808 CCC(=O)c1ccc(c(c1F)O)F 1458a_100000084588_100000210202 [1,1,0,0,0,0|2,0,0]=4 3269 B13R1.1808 CCC(=O)c1ccc(c(c1I)C)C 1458a_100010188221_100000210202 [1,1,0,0,0,0|2,0,0]=4 3270 B13R1.1808 CCC(=O)c1ccc(c(c1O)C)C 1458a_100000742916_100000210202 [1,1,0,0,0,0|2,0,0]=4 3271 B13R1.1808 CCC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000210202 [1,1,0,0,0,0|1,0,0]=3 3272 B13R1.1808 CNC(=O)c1ccc(c(c1Br)O)Br 240690a_100102657272_100016068111 [1,1,0,0,0,0|2,0,0]=4 3273 B13R1.1808 CNC(=O)c1ccc(c(c1Br)O)Br 527a_100102657272_100016068111 [1,1,0,0,0,0|2,0,0]=4 3274 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 11a_106832991635_100010074829 [1,1,0,0,0,0|2,0,0]=4 3275 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 1626a_100102657272_100010074829 [1,1,0,0,0,0|2,0,0]=4 3276 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 240690a_100102657272_100010074829 [1,1,0,0,0,0|2,0,0]=4 3277 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 527a_100102657272_100010074829 [1,1,0,0,0,0|2,0,0]=4 3278 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 11a_106832991635_100000061447 [1,1,0,0,0,0|2,0,0]=4 3279 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 1626a_100102657272_100000061447 [1,1,0,0,0,0|2,0,0]=4 3280 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 240690a_100102657272_100000061447 [1,1,0,0,0,0|2,0,0]=4 3281 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 527a_100102657272_100000061447 [1,1,0,0,0,0|2,0,0]=4 3282 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)O)O 240690a_100102657272_100009910189 [1,1,0,0,0,0|1,0,0]=3 3283 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 11a_106832991635_100000722919 [1,1,0,0,0,0|2,0,0]=4 3284 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 1626a_100102657272_100000722919 [1,1,0,0,0,0|2,0,0]=4 3285 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 240690a_100102657272_100000722919 [1,1,0,0,0,0|2,0,0]=4 3286 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 527a_100102657272_100000722919 [1,1,0,0,0,0|2,0,0]=4 3287 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 11a_106832991635_100010768504 [1,1,0,0,0,0|2,0,0]=4 3288 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 1626a_100102657272_100010768504 [1,1,0,0,0,0|2,0,0]=4 3289 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 240690a_100102657272_100010768504 [1,1,0,0,0,0|2,0,0]=4 3290 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 527a_100102657272_100010768504 [1,1,0,0,0,0|2,0,0]=4 3291 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 11a_106832991635_100012183103 [1,1,0,0,0,0|2,0,0]=4 3292 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 1626a_100102657272_100012183103 [1,1,0,0,0,0|2,0,0]=4 3293 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 240690a_100102657272_100012183103 [1,1,0,0,0,0|2,0,0]=4 3294 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 527a_100102657272_100012183103 [1,1,0,0,0,0|2,0,0]=4 3295 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 11a_106832991635_100000067293 [1,1,0,0,0,0|2,0,0]=4 3296 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 1626a_100102657272_100000067293 [1,1,0,0,0,0|2,0,0]=4 3297 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 240690a_100102657272_100000067293 [1,1,0,0,0,0|2,0,0]=4 3298 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 527a_100102657272_100000067293 [1,1,0,0,0,0|2,0,0]=4 3299 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)O 240690a_100102657272_100000036740 [1,1,0,0,0,0|2,0,0]=4 3300 B13R1.1808 CNC(=O)c1ccc(c(c1F)O)F 240690a_100102657272_100000084588 [1,1,0,0,0,0|2,0,0]=4 3301 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 11a_106832991635_100010188221 [1,1,0,0,0,0|2,0,0]=4 3302 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 1626a_100102657272_100010188221 [1,1,0,0,0,0|2,0,0]=4 3303 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 240690a_100102657272_100010188221 [1,1,0,0,0,0|2,0,0]=4 3304 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 527a_100102657272_100010188221 [1,1,0,0,0,0|2,0,0]=4 3305 B13R1.1808 CNC(=O)c1ccc(c(c1O)C)C 240690a_100102657272_100000742916 [1,1,0,0,0,0|2,0,0]=4 3306 B13R1.1808 CNC(=O)c1ccc(c(c1O)C)C 527a_100102657272_100000742916 [1,1,0,0,0,0|2,0,0]=4 3307 B13R1.1808 COC(=O)c1ccc(c(c1C)C)O 271570a_203496583355_100010761469 [1,1,0,0,0,0|0,0,0]=2 3308 B13R1.1808 COC(=O)c1ccc(c(c1C)F)O 271570a_203496583355_100010291505 [1,1,0,0,0,0|1,0,0]=3 3309 B13R1.1808 COC(=O)c1ccc(c(c1C)O)C 271570a_203496583355_200010734123 [1,1,0,0,0,0|1,0,0]=3 3310 B13R1.1808 COC(=O)c1ccc(c(c1C)O)N 271570a_203496583355_100010764323 [1,1,0,0,0,0|1,0,0]=3 3311 B13R1.1808 COC(=O)c1ccc(c(c1C)O)O 271570a_203496583355_100010889012 [1,1,0,0,0,0|0,0,0]=2 3312 B13R1.1808 COC(=O)c1ccc(c(c1Cl)O)N 271570a_203496583355_200016031531 [1,1,0,0,0,0|1,0,0]=3 3313 B13R1.1808 COC(=O)c1ccc(c(c1F)C)O 271570a_203496583355_100010172522 [1,1,0,0,0,0|0,0,0]=2 3314 B13R1.1808 COC(=O)c1ccc(c(c1F)F)O 271570a_203496583355_100010982024 [1,1,0,0,0,0|1,0,0]=3 3315 B13R1.1808 COC(=O)c1ccc(c(c1F)O)F 271570a_203496583355_100000697099 [1,1,0,0,0,0|1,0,0]=3 3316 B13R1.1808 COC(=O)c1ccc(c(c1F)O)O 271570a_203496583355_100011096176 [1,1,0,0,0,0|0,0,0]=2 3317 B13R1.1808 COC(=O)c1ccc(c(c1N)C)O 271570a_203496583355_100000764893 [1,1,0,0,0,0|0,0,0]=2 3318 B13R1.1808 COC(=O)c1ccc(c(c1N)F)O 271570a_203496583355_100022009169 [1,1,0,0,0,0|1,0,0]=3 3319 B13R1.1808 COC(=O)c1ccc(c(c1O)F)F 271570a_203496583355_100010710315 [1,1,0,0,0,0|2,0,0]=4 3320 B13R1.1808 COC(=O)c1ccc(c(c1O)F)O 271570a_203496583355_100011092008 [1,1,0,0,0,0|1,0,0]=3 3321 B13R1.1808 O=C(CF)c1ccc(c(c1Cl)O)O 1458a_100009910189_100015361967 [1,1,0,0,0,0|2,0,0]=4 3322 B13R1.1808 O=C(CF)c1ccc(c(c1O)O)O 1458a_100000037941_100015361967 [1,1,0,0,0,0|2,0,0]=4 3323 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100000210202 [1,1,0,0,0,0|2,0,0]=4 3324 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000210202 [1,1,0,0,0,0|1,0,0]=3 3325 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)Br)C 1458a_100000700660_100000210202 [1,1,0,0,0,0|2,0,0]=4 3326 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)C)C 1458a_100000075298_100000210202 [1,1,0,0,0,0|2,0,0]=4 3327 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)Cl)C 1458a_100000102532_100000210202 [1,1,0,0,0,0|2,0,0]=4 3328 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)F)C 1458a_100000741972_100000210202 [1,1,0,0,0,0|2,0,0]=4 3329 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)I)C 1458a_100010769667_100000210202 [1,1,0,0,0,0|2,0,0]=4 3330 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_100000210202 [1,1,0,0,0,0|1,0,0]=3 3331 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100000210202 [1,1,0,0,0,0|2,0,0]=4 3332 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000210202 [1,1,0,0,0,0|1,0,0]=3 3333 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)F)C 1458a_100000061453_100000210202 [1,1,0,0,0,0|2,0,0]=4 3334 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_100000210202 [1,1,0,0,0,0|2,0,0]=4 3335 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_100000210202 [1,1,0,0,0,0|2,0,0]=4 3336 B13R1.2678 CCC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100000210202 [1,1,0,0,0,0|2,0,0]=4 3337 B13R1.2678 CCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000210202 [1,1,0,0,0,0|2,0,0]=4 3338 B13R1.2678 CCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000210202 [1,1,0,0,0,0|2,0,0]=4 3339 B13R1.2678 CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210202 [1,1,0,0,0,0|1,0,0]=3 3340 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)O)Br 240690a_100102657272_100000692688 [1,1,0,0,0,0|2,0,0]=4 3341 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)O)Br 527a_100102657272_100000692688 [1,1,0,0,0,0|2,0,0]=4 3342 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100102657272_200009992764 [1,1,0,0,0,0|1,0,0]=3 3343 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)Br)C 11a_106832991635_100000700660 [1,1,0,0,0,0|2,0,0]=4 3344 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)Br)C 1626a_100102657272_100000700660 [1,1,0,0,0,0|2,0,0]=4 3345 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)Br)C 240690a_100102657272_100000700660 [1,1,0,0,0,0|2,0,0]=4 3346 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)Br)C 527a_100102657272_100000700660 [1,1,0,0,0,0|2,0,0]=4 3347 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)C)C 11a_106832991635_100000075298 [1,1,0,0,0,0|2,0,0]=4 3348 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)C)C 1626a_100102657272_100000075298 [1,1,0,0,0,0|2,0,0]=4 3349 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)C)C 240690a_100102657272_100000075298 [1,1,0,0,0,0|2,0,0]=4 3350 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)C)C 527a_100102657272_100000075298 [1,1,0,0,0,0|2,0,0]=4 3351 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)Cl)C 11a_106832991635_100000102532 [1,1,0,0,0,0|2,0,0]=4 3352 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)Cl)C 1626a_100102657272_100000102532 [1,1,0,0,0,0|2,0,0]=4 3353 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)Cl)C 240690a_100102657272_100000102532 [1,1,0,0,0,0|2,0,0]=4 3354 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)Cl)C 527a_100102657272_100000102532 [1,1,0,0,0,0|2,0,0]=4 3355 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)F)C 11a_106832991635_100000741972 [1,1,0,0,0,0|2,0,0]=4 3356 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)F)C 1626a_100102657272_100000741972 [1,1,0,0,0,0|2,0,0]=4 3357 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)F)C 240690a_100102657272_100000741972 [1,1,0,0,0,0|2,0,0]=4 3358 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)F)C 527a_100102657272_100000741972 [1,1,0,0,0,0|2,0,0]=4 3359 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)I)C 11a_106832991635_100010769667 [1,1,0,0,0,0|2,0,0]=4 3360 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)I)C 1626a_100102657272_100010769667 [1,1,0,0,0,0|2,0,0]=4 3361 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)I)C 240690a_100102657272_100010769667 [1,1,0,0,0,0|2,0,0]=4 3362 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)I)C 527a_100102657272_100010769667 [1,1,0,0,0,0|2,0,0]=4 3363 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)O)C 240690a_100102657272_100011219978 [1,1,0,0,0,0|1,0,0]=3 3364 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)O)C 527a_100102657272_100011219978 [1,1,0,0,0,0|1,0,0]=3 3365 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)O)Cl 240690a_100102657272_100000184433 [1,1,0,0,0,0|2,0,0]=4 3366 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)O)Cl 527a_100102657272_100000184433 [1,1,0,0,0,0|2,0,0]=4 3367 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100102657272_200000078382 [1,1,0,0,0,0|1,0,0]=3 3368 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)F)C 11a_106832991635_100000061453 [1,1,0,0,0,0|2,0,0]=4 3369 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)F)C 1626a_100102657272_100000061453 [1,1,0,0,0,0|2,0,0]=4 3370 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)F)C 240690a_100102657272_100000061453 [1,1,0,0,0,0|2,0,0]=4 3371 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)F)C 527a_100102657272_100000061453 [1,1,0,0,0,0|2,0,0]=4 3372 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)F)O 240690a_100102657272_200000081825 [1,1,0,0,0,0|2,0,0]=4 3373 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)O)F 240690a_100102657272_100000766045 [1,1,0,0,0,0|2,0,0]=4 3374 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)O)F 527a_100102657272_100000766045 [1,1,0,0,0,0|2,0,0]=4 3375 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)O)I 1626a_100102657272_100000034356 [1,1,0,0,0,0|2,0,0]=4 3376 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)O)I 240690a_100102657272_100000034356 [1,1,0,0,0,0|2,0,0]=4 3377 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)O)I 527a_100102657272_100000034356 [1,1,0,0,0,0|2,0,0]=4 3378 B13R1.2678 CNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100102657272_100009812877 [1,1,0,0,0,0|2,0,0]=4 3379 B13R1.2678 CNC(=O)c1cc(c(c(c1)O)C)O 240690a_100102657272_100000031928 [1,1,0,0,0,0|2,0,0]=4 3380 B13R1.2678 CNC(=O)c1cc(c(c(c1)O)C)O 527a_100102657272_100000031928 [1,1,0,0,0,0|2,0,0]=4 3381 B13R1.2678 CNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100102657272_100000074654 [1,1,0,0,0,0|2,0,0]=4 3382 B13R1.2678 COC(=O)c1cc(c(=O)n(c1)C)O 271570a_203496583355_200010887340 [1,1,0,0,0,0|1,0,1]=4 3383 B13R1.2678 COC(=O)c1cc(c(c(c1)Br)O)Cl 271570a_203496583355_100012361296 [1,1,0,0,0,0|1,0,0]=3 3384 B13R1.2678 COC(=O)c1cc(c(c(c1)C)O)C 271570a_203496583355_100010209423 [1,1,0,0,0,0|0,0,0]=2 3385 B13R1.2678 COC(=O)c1cc(c(c(c1)Cl)C)O 271570a_203496583355_100012360618 [1,1,0,0,0,0|1,0,0]=3 3386 B13R1.2678 COC(=O)c1cc(c(c(c1)Cl)O)O 271570a_203496583355_100135280131 [1,1,0,0,0,0|0,0,0]=2 3387 B13R1.2678 COC(=O)c1cc(c(c(c1)F)C)O 271570a_203496583355_100012920391 [1,1,0,0,0,0|1,0,0]=3 3388 B13R1.2678 COC(=O)c1cc(c(c(c1)F)F)O 271570a_203496583355_100010189562 [1,1,0,0,0,0|1,0,0]=3 3389 B13R1.2678 COC(=O)c1cc(c(c(c1)F)N)O 271570a_203496583355_100010170820 [1,1,0,0,0,0|1,0,0]=3 3390 B13R1.2678 COC(=O)c1cc(c(c(c1)F)O)F 271570a_203496583355_200010155432 [1,1,0,0,0,0|1,0,0]=3 3391 B13R1.2678 COC(=O)c1cc(c(c(c1)O)C)N 271570a_203496583355_100012353609 [1,1,0,0,0,0|1,0,0]=3 3392 B13R1.2678 COC(=O)c1cc(c(c(c1)O)F)N 271570a_203496583355_200010713629 [1,1,0,0,0,0|1,0,0]=3 3393 B13R1.2678 COC(=O)c1cc(c(c(c1)O)N)C 271570a_203496583355_100010177015 [1,1,0,0,0,0|1,0,0]=3 3394 B13R1.2678 COC(=O)c1cc(c(c(c1)O)N)N 271570a_203496583355_100010128412 [1,1,0,0,0,0|1,0,0]=3 3395 B13R1.2678 COC(=O)c1cc(c(c(c1)O)O)N 271570a_203496583355_100010372079 [1,1,0,0,0,0|0,0,0]=2 3396 B13R1.2678 COC(=O)c1cc(c(c(c1)O)O)O 271570a_203496583355_100010192586 [1,1,0,0,0,0|0,0,0]=2 3397 B13R1.2678 Cc1cc(cc(c1O)C)C(=O)CF 1458a_100011219978_100015361967 [1,1,0,0,0,0|2,0,0]=4 3398 B13R1.2678 O=C(CF)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100015361967 [1,1,0,0,0,0|2,0,0]=4 3399 B13R1.2678 O=C(CF)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100015361967 [1,1,0,0,0,0|2,0,0]=4 3400 B13R1.2678 O=C(CF)c1cc(c(c(c1)O)O)O 1458a_100000212154_100015361967 [1,1,0,0,0,0|2,0,0]=4 3401 B13R1.3088 C#Cc1ccc(cc1C)C(=O)CC 1458a_100013243528_100000210202 [1,1,0,0,0,0|2,0,0]=4 3402 B13R1.3088 C#Cc1ccc(cc1C)C(=O)NC 11a_106832991635_100013243528 [1,1,0,0,0,0|2,0,0]=4 3403 B13R1.3088 C#Cc1ccc(cc1C)C(=O)NC 1626a_100102657272_100013243528 [1,1,0,0,0,0|2,0,0]=4 3404 B13R1.3088 C#Cc1ccc(cc1C)C(=O)NC 527a_100102657272_100013243528 [1,1,0,0,0,0|2,0,0]=4 3405 B13R1.3088 C=Cc1ccc(cc1Br)C(=O)OC 271570a_100011290941_100011294788 [1,1,0,0,0,0|2,0,0]=4 3406 B13R1.3088 C=Cc1ccc(cc1C)C(=O)CC 271570a_100011290941_200012349626 [1,1,0,0,0,0|2,0,0]=4 3407 B13R1.3088 C=Cc1ccc(cc1C)C(=O)NC 271570a_100011290941_200013065384 [1,1,0,0,0,0|2,0,0]=4 3408 B13R1.3088 C=Cc1ccc(cc1C)C(=O)OC 271570a_100011290941_100011215878 [1,1,0,0,0,0|1,0,0]=3 3409 B13R1.3088 C=Cc1ccc(cc1Cl)C(=O)OC 271570a_100011290941_100012356344 [1,1,0,0,0,0|2,0,0]=4 3410 B13R1.3088 C=Cc1ccc(cc1F)C(=O)OC 271570a_100011290941_100000703229 [1,1,0,0,0,0|2,0,0]=4 3411 B13R1.3088 C=Cc1ccc(cc1N)C(=O)OC 271570a_100011290941_100011450966 [1,1,0,0,0,0|2,0,0]=4 3412 B13R1.3088 C=Cc1ccc(cc1O)C(=O)OC 271570a_100011290941_100012350776 [1,1,0,0,0,0|1,0,0]=3 3413 B13R1.3088 C=Cc1ccc(nc1C)C(=O)OC 271570a_100011290941_100010207261 [1,1,0,0,0,0|2,0,0]=4 3414 B13R1.3088 C=Cc1ccc(nc1O)C(=O)OC 271570a_100011290941_100010189637 [1,1,0,0,0,0|2,0,0]=4 3415 B13R1.3088 C=Cc1cnc(cc1C)C(=O)OC 271570a_100011290941_100010080863 [1,1,0,0,0,0|2,0,0]=4 3416 B13R1.3088 C=Cc1ncc(cc1C)C(=O)OC 271570a_100011290941_100009862495 [1,1,0,0,0,0|2,0,0]=4 3417 B13R1.3088 C=Cc1ncc(cc1O)C(=O)OC 271570a_100011290941_100010999399 [1,1,0,0,0,0|2,0,0]=4 3418 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)OC 1458a_100000187947_100000210202 [1,1,0,0,0,0|2,0,0]=4 3419 B13R1.3088 CCC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_100000210202 [1,1,0,0,0,0|2,0,0]=4 3420 B13R1.3088 CCC(=O)c1ccc(c(c1)C)OC 1458a_100011202886_100000210202 [1,1,0,0,0,0|1,0,0]=3 3421 B13R1.3088 CCC(=O)c1ccc(c(c1)C)SC 62a_200000210301_200012349626 [1,1,0,0,0,0|1,1,0]=4 3422 B13R1.3088 CCC(=O)c1ccc(c(c1)C)SC 62a_200012349626_200000210301 [1,1,0,0,0,0|1,1,0]=4 3423 B13R1.3088 CCC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200012349626_200025704644 [1,1,0,0,0,0|1,1,0]=4 3424 B13R1.3088 CCC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_200012349626 [1,1,0,0,0,0|1,1,0]=4 3425 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 1458a_100000188346_100000210202 [1,1,0,0,0,0|2,0,0]=4 3426 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 34a_100011218862_200000210301 [1,1,0,0,0,0|2,0,0]=4 3427 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 7a_100011218862_200000210301 [1,1,0,0,0,0|2,0,0]=4 3428 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100011218862_200025704644 [1,1,0,0,0,0|2,0,0]=4 3429 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100011218862_200025704644 [1,1,0,0,0,0|2,0,0]=4 3430 B13R1.3088 CCC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_100000210202 [1,1,0,0,0,0|2,0,0]=4 3431 B13R1.3088 CCC(=O)c1ccc(c(c1)F)OC 1458a_100000186160_100000210202 [1,1,0,0,0,0|2,0,0]=4 3432 B13R1.3088 CCC(=O)c1ccc(c(c1)I)OC 1458a_100000188716_100000210202 [1,1,0,0,0,0|2,0,0]=4 3433 B13R1.3088 CCC(=O)c1ccc(c(c1)O)CC 1458a_100000089006_100000210202 [1,1,0,0,0,0|2,0,0]=4 3434 B13R1.3088 CCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210202 [1,1,0,0,0,0|1,0,0]=3 3435 B13R1.3088 CCc1ccc(cc1O)C(=O)NC 240690a_100102657272_100000089006 [1,1,0,0,0,0|2,0,0]=4 3436 B13R1.3088 CCc1ccc(cc1O)C(=O)NC 527a_100102657272_100000089006 [1,1,0,0,0,0|2,0,0]=4 3437 B13R1.3088 CCc1ccc(cc1O)C(=O)OC 271570a_203496583355_200012360130 [1,1,0,0,0,0|1,0,0]=3 3438 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 11a_106832991635_100000187947 [1,1,0,0,0,0|2,0,0]=4 3439 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 1626a_100102657272_100000187947 [1,1,0,0,0,0|2,0,0]=4 3440 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 240690a_100102657272_100000187947 [1,1,0,0,0,0|2,0,0]=4 3441 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 527a_100102657272_100000187947 [1,1,0,0,0,0|2,0,0]=4 3442 B13R1.3088 CNC(=O)c1ccc(c(c1)C)C#N 11a_106832991635_100012180287 [1,1,0,0,0,0|2,0,0]=4 3443 B13R1.3088 CNC(=O)c1ccc(c(c1)C)C#N 1626a_100102657272_100012180287 [1,1,0,0,0,0|2,0,0]=4 3444 B13R1.3088 CNC(=O)c1ccc(c(c1)C)C#N 240690a_100102657272_100012180287 [1,1,0,0,0,0|2,0,0]=4 3445 B13R1.3088 CNC(=O)c1ccc(c(c1)C)C#N 527a_100102657272_100012180287 [1,1,0,0,0,0|2,0,0]=4 3446 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 2230a_100000739472_200000210301 [1,1,0,0,0,0|2,0,0]=4 3447 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 27a_100102657272_200013065384 [1,1,0,0,0,0|2,0,0]=4 3448 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 34a_100000739472_200000210301 [1,1,0,0,0,0|2,0,0]=4 3449 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 7a_100000739472_200000210301 [1,1,0,0,0,0|2,0,0]=4 3450 B13R1.3088 CNC(=O)c1ccc(c(c1)C)N[13CH3] 2230a_100000739472_200025704644 [1,1,0,0,0,0|2,0,0]=4 3451 B13R1.3088 CNC(=O)c1ccc(c(c1)C)N[13CH3] 34a_100000739472_200025704644 [1,1,0,0,0,0|2,0,0]=4 3452 B13R1.3088 CNC(=O)c1ccc(c(c1)C)N[13CH3] 7a_100000739472_200025704644 [1,1,0,0,0,0|2,0,0]=4 3453 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 11a_106832991635_100011202886 [1,1,0,0,0,0|1,0,0]=3 3454 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 1626a_100102657272_100011202886 [1,1,0,0,0,0|1,0,0]=3 3455 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 240690a_100102657272_100011202886 [1,1,0,0,0,0|1,0,0]=3 3456 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 527a_100102657272_100011202886 [1,1,0,0,0,0|1,0,0]=3 3457 B13R1.3088 CNC(=O)c1ccc(c(c1)C)SC 62a_200000210301_200013065384 [1,1,0,0,0,0|1,1,0]=4 3458 B13R1.3088 CNC(=O)c1ccc(c(c1)C)SC 62a_200013065384_200000210301 [1,1,0,0,0,0|1,1,0]=4 3459 B13R1.3088 CNC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200013065384_200025704644 [1,1,0,0,0,0|1,1,0]=4 3460 B13R1.3088 CNC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_200013065384 [1,1,0,0,0,0|1,1,0]=4 3461 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 11a_106832991635_100000188346 [1,1,0,0,0,0|2,0,0]=4 3462 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 1626a_100102657272_100000188346 [1,1,0,0,0,0|2,0,0]=4 3463 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 240690a_100102657272_100000188346 [1,1,0,0,0,0|2,0,0]=4 3464 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 527a_100102657272_100000188346 [1,1,0,0,0,0|2,0,0]=4 3465 B13R1.3088 CNC(=O)c1ccc(c(c1)F)CO 1626a_100102657272_100000687192 [1,1,0,0,0,0|2,0,0]=4 3466 B13R1.3088 CNC(=O)c1ccc(c(c1)F)CO 240690a_100102657272_100000687192 [1,1,0,0,0,0|2,0,0]=4 3467 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 11a_106832991635_100000186160 [1,1,0,0,0,0|2,0,0]=4 3468 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 1626a_100102657272_100000186160 [1,1,0,0,0,0|2,0,0]=4 3469 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 240690a_100102657272_100000186160 [1,1,0,0,0,0|2,0,0]=4 3470 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 527a_100102657272_100000186160 [1,1,0,0,0,0|2,0,0]=4 3471 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 11a_106832991635_100000188716 [1,1,0,0,0,0|2,0,0]=4 3472 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 1626a_100102657272_100000188716 [1,1,0,0,0,0|2,0,0]=4 3473 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 240690a_100102657272_100000188716 [1,1,0,0,0,0|2,0,0]=4 3474 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 527a_100102657272_100000188716 [1,1,0,0,0,0|2,0,0]=4 3475 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 240690a_100102657272_100000766810 [1,1,0,0,0,0|1,0,0]=3 3476 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 527a_100102657272_100000766810 [1,1,0,0,0,0|1,0,0]=3 3477 B13R1.3088 CNc1ncc(cc1C)C(=O)OC 27a_100102657272_100009862495 [1,1,0,0,0,0|2,0,0]=4 3478 B13R1.3088 COC(=O)c1cc(c(cn1)OC)O 271570a_203496583355_200010136175 [1,1,0,0,0,0|1,0,0]=3 3479 B13R1.3088 COC(=O)c1cc(c(cn1)SC)C 62a_100010080863_200000210301 [1,1,0,0,0,0|1,1,0]=4 3480 B13R1.3088 COC(=O)c1cc(c(cn1)SC)C 62a_200000210301_100010080863 [1,1,0,0,0,0|1,1,0]=4 3481 B13R1.3088 COC(=O)c1cc(c(cn1)S[13CH3])C 62a_100010080863_200025704644 [1,1,0,0,0,0|1,1,0]=4 3482 B13R1.3088 COC(=O)c1cc(c(cn1)S[13CH3])C 62a_200025704644_100010080863 [1,1,0,0,0,0|1,1,0]=4 3483 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 34a_100000216328_200000210301 [1,1,0,0,0,0|1,0,0]=3 3484 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 7a_100000216328_200000210301 [1,1,0,0,0,0|1,0,0]=3 3485 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100000216328_200025704644 [1,1,0,0,0,0|1,0,0]=3 3486 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100000216328_200025704644 [1,1,0,0,0,0|1,0,0]=3 3487 B13R1.3088 COC(=O)c1ccc(c(c1)Br)SC 62a_100011294788_200000210301 [1,1,0,0,0,0|1,1,0]=4 3488 B13R1.3088 COC(=O)c1ccc(c(c1)Br)SC 62a_200000210301_100011294788 [1,1,0,0,0,0|1,1,0]=4 3489 B13R1.3088 COC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100011294788_200025704644 [1,1,0,0,0,0|1,1,0]=4 3490 B13R1.3088 COC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100011294788 [1,1,0,0,0,0|1,1,0]=4 3491 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 34a_100011997373_200000210301 [1,1,0,0,0,0|0,0,0]=2 3492 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 7a_100011997373_200000210301 [1,1,0,0,0,0|0,0,0]=2 3493 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100011997373_200025704644 [1,1,0,0,0,0|0,0,0]=2 3494 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100011997373_200025704644 [1,1,0,0,0,0|0,0,0]=2 3495 B13R1.3088 COC(=O)c1ccc(c(c1)C)SC 62a_100011215878_200000210301 [1,1,0,0,0,0|0,1,0]=3 3496 B13R1.3088 COC(=O)c1ccc(c(c1)C)SC 62a_200000210301_100011215878 [1,1,0,0,0,0|0,1,0]=3 3497 B13R1.3088 COC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100011215878_200025704644 [1,1,0,0,0,0|0,1,0]=3 3498 B13R1.3088 COC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011215878 [1,1,0,0,0,0|0,1,0]=3 3499 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 34a_100000151454_200000210301 [1,1,0,0,0,0|1,0,0]=3 3500 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 7a_100000151454_200000210301 [1,1,0,0,0,0|1,0,0]=3 3501 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000151454_200025704644 [1,1,0,0,0,0|1,0,0]=3 3502 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000151454_200025704644 [1,1,0,0,0,0|1,0,0]=3 3503 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)SC 62a_100012356344_200000210301 [1,1,0,0,0,0|1,1,0]=4 3504 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)SC 62a_200000210301_100012356344 [1,1,0,0,0,0|1,1,0]=4 3505 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_100012356344_200025704644 [1,1,0,0,0,0|1,1,0]=4 3506 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_200025704644_100012356344 [1,1,0,0,0,0|1,1,0]=4 3507 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 34a_100000075456_200000210301 [1,1,0,0,0,0|1,0,0]=3 3508 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 7a_100000075456_200000210301 [1,1,0,0,0,0|1,0,0]=3 3509 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000075456_200025704644 [1,1,0,0,0,0|1,0,0]=3 3510 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000075456_200025704644 [1,1,0,0,0,0|1,0,0]=3 3511 B13R1.3088 COC(=O)c1ccc(c(c1)F)SC 62a_100000703229_200000210301 [1,1,0,0,0,0|1,1,0]=4 3512 B13R1.3088 COC(=O)c1ccc(c(c1)F)SC 62a_200000210301_100000703229 [1,1,0,0,0,0|1,1,0]=4 3513 B13R1.3088 COC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000703229_200025704644 [1,1,0,0,0,0|1,1,0]=4 3514 B13R1.3088 COC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000703229 [1,1,0,0,0,0|1,1,0]=4 3515 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 34a_100010162523_200000210301 [1,1,0,0,0,0|1,0,0]=3 3516 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 7a_100010162523_200000210301 [1,1,0,0,0,0|1,0,0]=3 3517 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 34a_100010162523_200025704644 [1,1,0,0,0,0|1,0,0]=3 3518 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 7a_100010162523_200025704644 [1,1,0,0,0,0|1,0,0]=3 3519 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 34a_100000724433_200000210301 [1,1,0,0,0,0|1,0,0]=3 3520 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 7a_100000724433_200000210301 [1,1,0,0,0,0|1,0,0]=3 3521 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000724433_200025704644 [1,1,0,0,0,0|1,0,0]=3 3522 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000724433_200025704644 [1,1,0,0,0,0|1,0,0]=3 3523 B13R1.3088 COC(=O)c1ccc(c(c1)N)SC 62a_100011450966_200000210301 [1,1,0,0,0,0|1,1,0]=4 3524 B13R1.3088 COC(=O)c1ccc(c(c1)N)SC 62a_200000210301_100011450966 [1,1,0,0,0,0|1,1,0]=4 3525 B13R1.3088 COC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100011450966_200025704644 [1,1,0,0,0,0|1,1,0]=4 3526 B13R1.3088 COC(=O)c1ccc(c(c1)N)S[13CH3] 62a_200025704644_100011450966 [1,1,0,0,0,0|1,1,0]=4 3527 B13R1.3088 COC(=O)c1ccc(c(c1)O)C#N 271570a_203496583355_100009861381 [1,1,0,0,0,0|1,0,0]=3 3528 B13R1.3088 COC(=O)c1ccc(c(c1)O)C=O 271570a_203496583355_100012179231 [1,1,0,0,0,0|0,0,1]=3 3529 B13R1.3088 COC(=O)c1ccc(c(c1)O)CO 271570a_203496583355_100012355398 [1,1,0,0,0,0|0,0,0]=2 3530 B13R1.3088 COC(=O)c1ccc(c(c1)O)OC 271570a_203496583355_100000189012 [1,1,0,0,0,0|0,0,0]=2 3531 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_100012350776_200000210301 [1,1,0,0,0,0|0,1,0]=3 3532 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_200000210301_100012350776 [1,1,0,0,0,0|0,1,0]=3 3533 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_100012350776_200025704644 [1,1,0,0,0,0|0,1,0]=3 3534 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012350776 [1,1,0,0,0,0|0,1,0]=3 3535 B13R1.3088 COC(=O)c1ccc(c(n1)Br)OC 34a_200009815348_200000210301 [1,1,0,0,0,0|2,0,0]=4 3536 B13R1.3088 COC(=O)c1ccc(c(n1)Br)OC 7a_200009815348_200000210301 [1,1,0,0,0,0|2,0,0]=4 3537 B13R1.3088 COC(=O)c1ccc(c(n1)Br)O[13CH3] 34a_200009815348_200025704644 [1,1,0,0,0,0|2,0,0]=4 3538 B13R1.3088 COC(=O)c1ccc(c(n1)Br)O[13CH3] 7a_200009815348_200025704644 [1,1,0,0,0,0|2,0,0]=4 3539 B13R1.3088 COC(=O)c1ccc(c(n1)C)SC 62a_100010207261_200000210301 [1,1,0,0,0,0|1,1,0]=4 3540 B13R1.3088 COC(=O)c1ccc(c(n1)C)SC 62a_200000210301_100010207261 [1,1,0,0,0,0|1,1,0]=4 3541 B13R1.3088 COC(=O)c1ccc(c(n1)C)S[13CH3] 62a_100010207261_200025704644 [1,1,0,0,0,0|1,1,0]=4 3542 B13R1.3088 COC(=O)c1ccc(c(n1)C)S[13CH3] 62a_200025704644_100010207261 [1,1,0,0,0,0|1,1,0]=4 3543 B13R1.3088 COC(=O)c1ccc(c(n1)O)OC 271570a_203496583355_100010205418 [1,1,0,0,0,0|1,0,0]=3 3544 B13R1.3088 COC(=O)c1ccc(c(n1)O)SC 62a_200000210301_100010189637 [1,1,0,0,0,0|1,1,0]=4 3545 B13R1.3088 COC(=O)c1ccc(c(n1)O)S[13CH3] 62a_200025704644_100010189637 [1,1,0,0,0,0|1,1,0]=4 3546 B13R1.3088 COC(=O)c1cnc(c(c1)Br)OC 34a_100015192546_200000210301 [1,1,0,0,0,0|2,0,0]=4 3547 B13R1.3088 COC(=O)c1cnc(c(c1)Br)O[13CH3] 34a_100015192546_200025704644 [1,1,0,0,0,0|2,0,0]=4 3548 B13R1.3088 COC(=O)c1cnc(c(c1)C)SC 62a_200000210301_100009862495 [1,1,0,0,0,0|1,1,0]=4 3549 B13R1.3088 COC(=O)c1cnc(c(c1)C)SC 62a_200010136688_200000210301 [1,1,0,0,0,0|1,1,0]=4 3550 B13R1.3088 COC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200010136688_200025704644 [1,1,0,0,0,0|1,1,0]=4 3551 B13R1.3088 COC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009862495 [1,1,0,0,0,0|1,1,0]=4 3552 B13R1.3088 COC(=O)c1cnc(c(c1)O)OC 271570a_203496583355_100010189640 [1,1,0,0,0,0|1,0,0]=3 3553 B13R1.3088 COC(=O)c1cnc(c(c1)O)SC 62a_100010999399_200000210301 [1,1,0,0,0,0|1,1,0]=4 3554 B13R1.3088 COC(=O)c1cnc(c(c1)O)SC 62a_200000210301_100010999399 [1,1,0,0,0,0|1,1,0]=4 3555 B13R1.3088 COC(=O)c1cnc(c(c1)O)S[13CH3] 62a_100010999399_200025704644 [1,1,0,0,0,0|1,1,0]=4 3556 B13R1.3088 COC(=O)c1cnc(c(c1)O)S[13CH3] 62a_200025704644_100010999399 [1,1,0,0,0,0|1,1,0]=4 3557 B13R1.3088 COc1ccc(cc1C)C(=O)CF 1458a_100011202886_100015361967 [1,1,0,0,0,0|2,0,0]=4 3558 B13R1.3088 COc1ccc(cc1O)C(=O)CF 1458a_100000766810_100015361967 [1,1,0,0,0,0|2,0,0]=4 3559 B13R1.3088 COc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000186317 [1,1,0,0,0,0|2,0,0]=4 3560 B13R1.82 C=Cc1cccc(c1Br)C(=O)OC 271570a_100011290941_100010240208 [1,1,0,0,0,0|1,0,1]=4 3561 B13R1.82 C=Cc1cccc(c1C)C(=O)OC 271570a_100011290941_100012298220 [1,1,0,0,0,0|1,0,1]=4 3562 B13R1.82 C=Cc1cccc(c1F)C(=O)OC 271570a_100011290941_100012355674 [1,1,0,0,0,0|1,0,1]=4 3563 B13R1.82 C=Cc1cccc(c1N)C(=O)OC 271570a_100011290941_100011356556 [1,1,0,0,0,0|1,0,1]=4 3564 B13R1.82 C=Cc1cccc(c1O)C(=O)OC 271570a_100011290941_100009816214 [1,1,0,0,0,0|1,0,1]=4 3565 B13R1.82 CCC(=O)c1cccc(c1Br)OC 1458a_100010245468_100000210202 [1,1,0,0,0,0|1,0,0]=3 3566 B13R1.82 CCC(=O)c1cccc(c1C)OC 1458a_100011217801_100000210202 [1,1,0,0,0,0|1,0,0]=3 3567 B13R1.82 CCC(=O)c1cccc(c1Cl)OC 1458a_100000068443_100000210202 [1,1,0,0,0,0|1,0,0]=3 3568 B13R1.82 CCC(=O)c1cccc(c1F)OC 1458a_100000766180_100000210202 [1,1,0,0,0,0|1,0,0]=3 3569 B13R1.82 CCC(=O)c1cccc(c1I)OC 1458a_100010075502_100000210202 [1,1,0,0,0,0|1,0,0]=3 3570 B13R1.82 CCC(=O)c1cccc(c1O)OC 1458a_100000212136_100000210202 [1,1,0,0,0,0|1,0,0]=3 3571 B13R1.82 CCc1cccc(c1O)C(=O)OC 271570a_203496583355_200009992460 [1,1,0,0,0,0|1,0,0]=3 3572 B13R1.82 CNC(=O)c1cccc(c1Br)OC 11a_106832991635_100010245468 [1,1,0,0,0,0|1,0,0]=3 3573 B13R1.82 CNC(=O)c1cccc(c1Br)OC 1626a_100102657272_100010245468 [1,1,0,0,0,0|1,0,0]=3 3574 B13R1.82 CNC(=O)c1cccc(c1Br)OC 240690a_100102657272_100010245468 [1,1,0,0,0,0|1,0,0]=3 3575 B13R1.82 CNC(=O)c1cccc(c1Br)OC 527a_100102657272_100010245468 [1,1,0,0,0,0|1,0,0]=3 3576 B13R1.82 CNC(=O)c1cccc(c1C)NC 34a_100000739055_200000210301 [1,1,0,0,0,0|2,0,0]=4 3577 B13R1.82 CNC(=O)c1cccc(c1C)N[13CH3] 34a_100000739055_200025704644 [1,1,0,0,0,0|2,0,0]=4 3578 B13R1.82 CNC(=O)c1cccc(c1C)OC 11a_106832991635_100011217801 [1,1,0,0,0,0|1,0,0]=3 3579 B13R1.82 CNC(=O)c1cccc(c1C)OC 1626a_100102657272_100011217801 [1,1,0,0,0,0|1,0,0]=3 3580 B13R1.82 CNC(=O)c1cccc(c1C)OC 240690a_100102657272_100011217801 [1,1,0,0,0,0|1,0,0]=3 3581 B13R1.82 CNC(=O)c1cccc(c1C)OC 527a_100102657272_100011217801 [1,1,0,0,0,0|1,0,0]=3 3582 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 11a_106832991635_100000068443 [1,1,0,0,0,0|1,0,0]=3 3583 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 1626a_100102657272_100000068443 [1,1,0,0,0,0|1,0,0]=3 3584 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 240690a_100102657272_100000068443 [1,1,0,0,0,0|1,0,0]=3 3585 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 527a_100102657272_100000068443 [1,1,0,0,0,0|1,0,0]=3 3586 B13R1.82 CNC(=O)c1cccc(c1F)OC 11a_106832991635_100000766180 [1,1,0,0,0,0|1,0,0]=3 3587 B13R1.82 CNC(=O)c1cccc(c1F)OC 1626a_100102657272_100000766180 [1,1,0,0,0,0|1,0,0]=3 3588 B13R1.82 CNC(=O)c1cccc(c1F)OC 240690a_100102657272_100000766180 [1,1,0,0,0,0|1,0,0]=3 3589 B13R1.82 CNC(=O)c1cccc(c1F)OC 527a_100102657272_100000766180 [1,1,0,0,0,0|1,0,0]=3 3590 B13R1.82 CNC(=O)c1cccc(c1I)OC 11a_106832991635_100010075502 [1,1,0,0,0,0|1,0,0]=3 3591 B13R1.82 CNC(=O)c1cccc(c1I)OC 1626a_100102657272_100010075502 [1,1,0,0,0,0|1,0,0]=3 3592 B13R1.82 CNC(=O)c1cccc(c1I)OC 240690a_100102657272_100010075502 [1,1,0,0,0,0|1,0,0]=3 3593 B13R1.82 CNC(=O)c1cccc(c1I)OC 527a_100102657272_100010075502 [1,1,0,0,0,0|1,0,0]=3 3594 B13R1.82 CNC(=O)c1cccc(c1O)OC 240690a_100102657272_100000212136 [1,1,0,0,0,0|1,0,0]=3 3595 B13R1.82 CNC(=O)c1cccc(c1O)OC 527a_100102657272_100000212136 [1,1,0,0,0,0|1,0,0]=3 3596 B13R1.82 COC(=O)c1c[nH]cc(c1=O)SC 62a_100010873956_200000210301 [1,1,0,0,0,0|1,1,0]=4 3597 B13R1.82 COC(=O)c1c[nH]cc(c1=O)SC 62a_200000210301_100010873956 [1,1,0,0,0,0|1,1,0]=4 3598 B13R1.82 COC(=O)c1c[nH]cc(c1=O)S[13CH3] 62a_100010873956_200025704644 [1,1,0,0,0,0|1,1,0]=4 3599 B13R1.82 COC(=O)c1c[nH]cc(c1=O)S[13CH3] 62a_200025704644_100010873956 [1,1,0,0,0,0|1,1,0]=4 3600 B13R1.82 COC(=O)c1cccc(c1Br)OC 34a_200010230364_200000210301 [1,1,0,0,0,0|0,0,0]=2 3601 B13R1.82 COC(=O)c1cccc(c1Br)OC 7a_200010230364_200000210301 [1,1,0,0,0,0|0,0,0]=2 3602 B13R1.82 COC(=O)c1cccc(c1Br)O[13CH3] 34a_200010230364_200025704644 [1,1,0,0,0,0|0,0,0]=2 3603 B13R1.82 COC(=O)c1cccc(c1Br)O[13CH3] 7a_200010230364_200025704644 [1,1,0,0,0,0|0,0,0]=2 3604 B13R1.82 COC(=O)c1cccc(c1Br)SC 62a_100010240208_200000210301 [1,1,0,0,0,0|0,1,0]=3 3605 B13R1.82 COC(=O)c1cccc(c1Br)SC 62a_200000210301_100010240208 [1,1,0,0,0,0|0,1,0]=3 3606 B13R1.82 COC(=O)c1cccc(c1Br)S[13CH3] 62a_100010240208_200025704644 [1,1,0,0,0,0|0,1,0]=3 3607 B13R1.82 COC(=O)c1cccc(c1Br)S[13CH3] 62a_200025704644_100010240208 [1,1,0,0,0,0|0,1,0]=3 3608 B13R1.82 COC(=O)c1cccc(c1C)OC 34a_100011999632_200000210301 [1,1,0,0,0,0|0,0,0]=2 3609 B13R1.82 COC(=O)c1cccc(c1C)OC 7a_100011999632_200000210301 [1,1,0,0,0,0|0,0,0]=2 3610 B13R1.82 COC(=O)c1cccc(c1C)O[13CH3] 34a_100011999632_200025704644 [1,1,0,0,0,0|0,0,0]=2 3611 B13R1.82 COC(=O)c1cccc(c1C)O[13CH3] 7a_100011999632_200025704644 [1,1,0,0,0,0|0,0,0]=2 3612 B13R1.82 COC(=O)c1cccc(c1C)SC 62a_100012298220_200000210301 [1,1,0,0,0,0|0,1,0]=3 3613 B13R1.82 COC(=O)c1cccc(c1C)SC 62a_200000210301_100012298220 [1,1,0,0,0,0|0,1,0]=3 3614 B13R1.82 COC(=O)c1cccc(c1C)S[13CH3] 62a_100012298220_200025704644 [1,1,0,0,0,0|0,1,0]=3 3615 B13R1.82 COC(=O)c1cccc(c1C)S[13CH3] 62a_200025704644_100012298220 [1,1,0,0,0,0|0,1,0]=3 3616 B13R1.82 COC(=O)c1cccc(c1Cl)OC 34a_100009866855_200000210301 [1,1,0,0,0,0|0,0,0]=2 3617 B13R1.82 COC(=O)c1cccc(c1Cl)OC 7a_100009866855_200000210301 [1,1,0,0,0,0|0,0,0]=2 3618 B13R1.82 COC(=O)c1cccc(c1Cl)O[13CH3] 34a_100009866855_200025704644 [1,1,0,0,0,0|0,0,0]=2 3619 B13R1.82 COC(=O)c1cccc(c1Cl)O[13CH3] 7a_100009866855_200025704644 [1,1,0,0,0,0|0,0,0]=2 3620 B13R1.82 COC(=O)c1cccc(c1F)OC 34a_100009854753_200000210301 [1,1,0,0,0,0|0,0,0]=2 3621 B13R1.82 COC(=O)c1cccc(c1F)OC 7a_100009854753_200000210301 [1,1,0,0,0,0|0,0,0]=2 3622 B13R1.82 COC(=O)c1cccc(c1F)O[13CH3] 34a_100009854753_200025704644 [1,1,0,0,0,0|0,0,0]=2 3623 B13R1.82 COC(=O)c1cccc(c1F)O[13CH3] 7a_100009854753_200025704644 [1,1,0,0,0,0|0,0,0]=2 3624 B13R1.82 COC(=O)c1cccc(c1F)SC 62a_100012355674_200000210301 [1,1,0,0,0,0|0,1,0]=3 3625 B13R1.82 COC(=O)c1cccc(c1F)SC 62a_200000210301_100012355674 [1,1,0,0,0,0|0,1,0]=3 3626 B13R1.82 COC(=O)c1cccc(c1F)S[13CH3] 62a_100012355674_200025704644 [1,1,0,0,0,0|0,1,0]=3 3627 B13R1.82 COC(=O)c1cccc(c1F)S[13CH3] 62a_200025704644_100012355674 [1,1,0,0,0,0|0,1,0]=3 3628 B13R1.82 COC(=O)c1cccc(c1N)OC 34a_100015205654_200000210301 [1,1,0,0,0,0|0,0,0]=2 3629 B13R1.82 COC(=O)c1cccc(c1N)OC 7a_100015205654_200000210301 [1,1,0,0,0,0|0,0,0]=2 3630 B13R1.82 COC(=O)c1cccc(c1N)O[13CH3] 34a_100015205654_200025704644 [1,1,0,0,0,0|0,0,0]=2 3631 B13R1.82 COC(=O)c1cccc(c1N)O[13CH3] 7a_100015205654_200025704644 [1,1,0,0,0,0|0,0,0]=2 3632 B13R1.82 COC(=O)c1cccc(c1N)SC 62a_100011356556_200000210301 [1,1,0,0,0,0|0,1,0]=3 3633 B13R1.82 COC(=O)c1cccc(c1N)S[13CH3] 62a_100011356556_200025704644 [1,1,0,0,0,0|0,1,0]=3 3634 B13R1.82 COC(=O)c1cccc(c1O)OC 271570a_203496583355_100010189551 [1,1,0,0,0,0|0,0,0]=2 3635 B13R1.82 COC(=O)c1cccc(c1O)SC 62a_100009816214_200000210301 [1,1,0,0,0,0|0,1,0]=3 3636 B13R1.82 COC(=O)c1cccc(c1O)S[13CH3] 62a_100009816214_200025704644 [1,1,0,0,0,0|0,1,0]=3 3637 B13R1.82 COC(=O)c1ccnc(c1C)SC 62a_100000087782_200000210301 [1,1,0,0,0,0|1,1,0]=4 3638 B13R1.82 COC(=O)c1ccnc(c1C)SC 62a_200000210301_100000087782 [1,1,0,0,0,0|1,1,0]=4 3639 B13R1.82 COC(=O)c1ccnc(c1C)S[13CH3] 62a_100000087782_200025704644 [1,1,0,0,0,0|1,1,0]=4 3640 B13R1.82 COC(=O)c1ccnc(c1C)S[13CH3] 62a_200025704644_100000087782 [1,1,0,0,0,0|1,1,0]=4 3641 B13R1.82 COC(=O)c1ccnc(c1F)SC 62a_100000081818_200000210301 [1,1,0,0,0,0|1,1,0]=4 3642 B13R1.82 COC(=O)c1ccnc(c1F)SC 62a_200000210301_100000081818 [1,1,0,0,0,0|1,1,0]=4 3643 B13R1.82 COC(=O)c1ccnc(c1F)S[13CH3] 62a_100000081818_200025704644 [1,1,0,0,0,0|1,1,0]=4 3644 B13R1.82 COC(=O)c1ccnc(c1F)S[13CH3] 62a_200025704644_100000081818 [1,1,0,0,0,0|1,1,0]=4 3645 B13R1.82 COC(=O)c1ccnc(c1N)SC 62a_100000067308_200000210301 [1,1,0,0,0,0|1,1,0]=4 3646 B13R1.82 COC(=O)c1ccnc(c1N)SC 62a_200000210301_100000067308 [1,1,0,0,0,0|1,1,0]=4 3647 B13R1.82 COC(=O)c1ccnc(c1N)S[13CH3] 62a_100000067308_200025704644 [1,1,0,0,0,0|1,1,0]=4 3648 B13R1.82 COC(=O)c1ccnc(c1N)S[13CH3] 62a_200025704644_100000067308 [1,1,0,0,0,0|1,1,0]=4 3649 B13R1.82 COC(=O)c1cncc(c1C)SC 62a_100010713144_200000210301 [1,1,0,0,0,0|1,1,0]=4 3650 B13R1.82 COC(=O)c1cncc(c1C)SC 62a_200000210301_100010713144 [1,1,0,0,0,0|1,1,0]=4 3651 B13R1.82 COC(=O)c1cncc(c1C)S[13CH3] 62a_100010713144_200025704644 [1,1,0,0,0,0|1,1,0]=4 3652 B13R1.82 COC(=O)c1cncc(c1C)S[13CH3] 62a_200025704644_100010713144 [1,1,0,0,0,0|1,1,0]=4 3653 B13R1.82 COC(=O)c1nccc(c1C)SC 62a_100000094583_200000210301 [1,1,0,0,0,0|1,1,0]=4 3654 B13R1.82 COC(=O)c1nccc(c1C)SC 62a_200000210301_100000094583 [1,1,0,0,0,0|1,1,0]=4 3655 B13R1.82 COC(=O)c1nccc(c1C)S[13CH3] 62a_100000094583_200025704644 [1,1,0,0,0,0|1,1,0]=4 3656 B13R1.82 COC(=O)c1nccc(c1C)S[13CH3] 62a_200025704644_100000094583 [1,1,0,0,0,0|1,1,0]=4 3657 B13R1.82 COC(=O)c1nccc(c1F)SC 62a_100000687924_200000210301 [1,1,0,0,0,0|1,1,0]=4 3658 B13R1.82 COC(=O)c1nccc(c1F)SC 62a_200000210301_100000687924 [1,1,0,0,0,0|1,1,0]=4 3659 B13R1.82 COC(=O)c1nccc(c1F)S[13CH3] 62a_100000687924_200025704644 [1,1,0,0,0,0|1,1,0]=4 3660 B13R1.82 COC(=O)c1nccc(c1F)S[13CH3] 62a_200025704644_100000687924 [1,1,0,0,0,0|1,1,0]=4 3661 B13R1.82 COc1cccc(c1Br)C(=O)CF 1458a_100010245468_100015361967 [1,1,0,0,0,0|2,0,0]=4 3662 B13R1.82 COc1cccc(c1C)C(=O)CF 1458a_100011217801_100015361967 [1,1,0,0,0,0|2,0,0]=4 3663 B13R1.82 COc1cccc(c1Cl)C(=O)CF 1458a_100000068443_100015361967 [1,1,0,0,0,0|2,0,0]=4 3664 B13R1.82 COc1cccc(c1F)C(=O)CF 1458a_100000766180_100015361967 [1,1,0,0,0,0|2,0,0]=4 3665 B13R1.82 COc1cccc(c1I)C(=O)CF 1458a_100010075502_100015361967 [1,1,0,0,0,0|2,0,0]=4 3666 B13R1.82 COc1cccc(c1O)C(=O)CF 1458a_100000212136_100015361967 [1,1,0,0,0,0|2,0,0]=4 3667 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)Br 271570a_100011290941_100012339729 [1,1,0,0,0,0|1,0,1]=4 3668 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)C 271570a_100011290941_100012359405 [1,1,0,0,0,0|1,0,1]=4 3669 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)Cl 271570a_100011290941_100000695173 [1,1,0,0,0,0|1,0,1]=4 3670 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)F 271570a_100011290941_100000698578 [1,1,0,0,0,0|1,0,1]=4 3671 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)N 271570a_100011290941_100138415615 [1,1,0,0,0,0|1,0,1]=4 3672 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)O 271570a_100011290941_100000696291 [1,1,0,0,0,0|1,0,1]=4 3673 B13R1.314 CCC(=O)c1cc(cc(c1)OC)Br 1458a_100011934030_100000210202 [1,1,0,0,0,0|1,0,0]=3 3674 B13R1.314 CCC(=O)c1cc(cc(c1)OC)C 1458a_100000117910_100000210202 [1,1,0,0,0,0|1,0,0]=3 3675 B13R1.314 CCC(=O)c1cc(cc(c1)OC)Cl 1458a_100000066651_100000210202 [1,1,0,0,0,0|1,0,0]=3 3676 B13R1.314 CCC(=O)c1cc(cc(c1)OC)F 1458a_100011934639_100000210202 [1,1,0,0,0,0|1,0,0]=3 3677 B13R1.314 CCC(=O)c1cc(cc(c1)OC)I 1458a_200010292657_100000210202 [1,1,0,0,0,0|1,0,0]=3 3678 B13R1.314 CCC(=O)c1cc(cc(c1)OC)O 1458a_100000083963_100000210202 [1,1,0,0,0,0|1,0,0]=3 3679 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Br 11a_106832991635_100011934030 [1,1,0,0,0,0|1,0,0]=3 3680 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Br 1626a_100102657272_100011934030 [1,1,0,0,0,0|1,0,0]=3 3681 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Br 240690a_100102657272_100011934030 [1,1,0,0,0,0|1,0,0]=3 3682 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Br 527a_100102657272_100011934030 [1,1,0,0,0,0|1,0,0]=3 3683 B13R1.314 CNC(=O)c1cc(cc(c1)OC)C 11a_106832991635_100000117910 [1,1,0,0,0,0|1,0,0]=3 3684 B13R1.314 CNC(=O)c1cc(cc(c1)OC)C 1626a_100102657272_100000117910 [1,1,0,0,0,0|1,0,0]=3 3685 B13R1.314 CNC(=O)c1cc(cc(c1)OC)C 240690a_100102657272_100000117910 [1,1,0,0,0,0|1,0,0]=3 3686 B13R1.314 CNC(=O)c1cc(cc(c1)OC)C 527a_100102657272_100000117910 [1,1,0,0,0,0|1,0,0]=3 3687 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Cl 11a_106832991635_100000066651 [1,1,0,0,0,0|1,0,0]=3 3688 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Cl 1626a_100102657272_100000066651 [1,1,0,0,0,0|1,0,0]=3 3689 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Cl 240690a_100102657272_100000066651 [1,1,0,0,0,0|1,0,0]=3 3690 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Cl 527a_100102657272_100000066651 [1,1,0,0,0,0|1,0,0]=3 3691 B13R1.314 CNC(=O)c1cc(cc(c1)OC)F 11a_106832991635_100011934639 [1,1,0,0,0,0|1,0,0]=3 3692 B13R1.314 CNC(=O)c1cc(cc(c1)OC)F 1626a_100102657272_100011934639 [1,1,0,0,0,0|1,0,0]=3 3693 B13R1.314 CNC(=O)c1cc(cc(c1)OC)F 240690a_100102657272_100011934639 [1,1,0,0,0,0|1,0,0]=3 3694 B13R1.314 CNC(=O)c1cc(cc(c1)OC)F 527a_100102657272_100011934639 [1,1,0,0,0,0|1,0,0]=3 3695 B13R1.314 CNC(=O)c1cc(cc(c1)OC)I 11a_106832991635_200010292657 [1,1,0,0,0,0|1,0,0]=3 3696 B13R1.314 CNC(=O)c1cc(cc(c1)OC)I 1626a_100102657272_200010292657 [1,1,0,0,0,0|1,0,0]=3 3697 B13R1.314 CNC(=O)c1cc(cc(c1)OC)I 240690a_100102657272_200010292657 [1,1,0,0,0,0|1,0,0]=3 3698 B13R1.314 CNC(=O)c1cc(cc(c1)OC)I 527a_100102657272_200010292657 [1,1,0,0,0,0|1,0,0]=3 3699 B13R1.314 CNC(=O)c1cc(cc(c1)OC)O 240690a_100102657272_100000083963 [1,1,0,0,0,0|1,0,0]=3 3700 B13R1.314 CNC(=O)c1cc(cc(c1)OC)O 527a_100102657272_100000083963 [1,1,0,0,0,0|1,0,0]=3 3701 B13R1.314 CNC(=O)c1cc(cc(c1)SC)F 62a_200000210301_200011295653 [1,1,0,0,0,0|1,1,0]=4 3702 B13R1.314 CNC(=O)c1cc(cc(c1)SC)F 62a_200011295653_200000210301 [1,1,0,0,0,0|1,1,0]=4 3703 B13R1.314 CNC(=O)c1cc(cc(c1)S[13CH3])F 62a_200011295653_200025704644 [1,1,0,0,0,0|1,1,0]=4 3704 B13R1.314 CNC(=O)c1cc(cc(c1)S[13CH3])F 62a_200025704644_200011295653 [1,1,0,0,0,0|1,1,0]=4 3705 B13R1.314 COC(=O)c1cc(cc(c1)C#N)O 271570a_203496583355_200010072370 [1,1,0,0,0,0|2,0,0]=4 3706 B13R1.314 COC(=O)c1cc(cc(c1)C=O)O 271570a_203496583355_100010371122 [1,1,0,0,0,0|2,0,0]=4 3707 B13R1.314 COC(=O)c1cc(cc(c1)CN)O 271570a_203496583355_100134615983 [1,1,0,0,0,0|2,0,0]=4 3708 B13R1.314 COC(=O)c1cc(cc(c1)CO)O 271570a_203496583355_100010232996 [1,1,0,0,0,0|2,0,0]=4 3709 B13R1.314 COC(=O)c1cc(cc(c1)OC)Br 34a_100000696291_200000210301 [1,1,0,0,0,0|0,0,0]=2 3710 B13R1.314 COC(=O)c1cc(cc(c1)OC)Br 7a_100000696291_200000210301 [1,1,0,0,0,0|0,0,0]=2 3711 B13R1.314 COC(=O)c1cc(cc(c1)OC)Cl 34a_100009870047_200000210301 [1,1,0,0,0,0|0,0,0]=2 3712 B13R1.314 COC(=O)c1cc(cc(c1)OC)Cl 7a_100009870047_200000210301 [1,1,0,0,0,0|0,0,0]=2 3713 B13R1.314 COC(=O)c1cc(cc(c1)OC)F 34a_100000118610_200000210301 [1,1,0,0,0,0|0,0,0]=2 3714 B13R1.314 COC(=O)c1cc(cc(c1)OC)F 7a_100000118610_200000210301 [1,1,0,0,0,0|0,0,0]=2 3715 B13R1.314 COC(=O)c1cc(cc(c1)OC)N 34a_100000069914_200000210301 [1,1,0,0,0,0|0,0,0]=2 3716 B13R1.314 COC(=O)c1cc(cc(c1)OC)N 7a_100000069914_200000210301 [1,1,0,0,0,0|0,0,0]=2 3717 B13R1.314 COC(=O)c1cc(cc(c1)OC)O 271570a_203496583355_200010233337 [1,1,0,0,0,0|0,0,0]=2 3718 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])Br 34a_100000696291_200025704644 [1,1,0,0,0,0|0,0,0]=2 3719 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])Br 7a_100000696291_200025704644 [1,1,0,0,0,0|0,0,0]=2 3720 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])Cl 34a_100009870047_200025704644 [1,1,0,0,0,0|0,0,0]=2 3721 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])Cl 7a_100009870047_200025704644 [1,1,0,0,0,0|0,0,0]=2 3722 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])F 34a_100000118610_200025704644 [1,1,0,0,0,0|0,0,0]=2 3723 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])F 7a_100000118610_200025704644 [1,1,0,0,0,0|0,0,0]=2 3724 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])N 34a_100000069914_200025704644 [1,1,0,0,0,0|0,0,0]=2 3725 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])N 7a_100000069914_200025704644 [1,1,0,0,0,0|0,0,0]=2 3726 B13R1.314 COC(=O)c1cc(cc(c1)SC)Br 62a_100012339729_200000210301 [1,1,0,0,0,0|0,1,0]=3 3727 B13R1.314 COC(=O)c1cc(cc(c1)SC)Br 62a_200000210301_100012339729 [1,1,0,0,0,0|0,1,0]=3 3728 B13R1.314 COC(=O)c1cc(cc(c1)SC)C 62a_100012359405_200000210301 [1,1,0,0,0,0|0,1,0]=3 3729 B13R1.314 COC(=O)c1cc(cc(c1)SC)C 62a_200000210301_100012359405 [1,1,0,0,0,0|0,1,0]=3 3730 B13R1.314 COC(=O)c1cc(cc(c1)SC)Cl 62a_100000695173_200000210301 [1,1,0,0,0,0|0,1,0]=3 3731 B13R1.314 COC(=O)c1cc(cc(c1)SC)Cl 62a_200000210301_100000695173 [1,1,0,0,0,0|0,1,0]=3 3732 B13R1.314 COC(=O)c1cc(cc(c1)SC)F 62a_100000698578_200000210301 [1,1,0,0,0,0|0,1,0]=3 3733 B13R1.314 COC(=O)c1cc(cc(c1)SC)F 62a_200000210301_100000698578 [1,1,0,0,0,0|0,1,0]=3 3734 B13R1.314 COC(=O)c1cc(cc(c1)SC)N 62a_100138415615_200000210301 [1,1,0,0,0,0|0,1,0]=3 3735 B13R1.314 COC(=O)c1cc(cc(c1)SC)N 62a_200000210301_100138415615 [1,1,0,0,0,0|0,1,0]=3 3736 B13R1.314 COC(=O)c1cc(cc(c1)SC)O 62a_100000696291_200000210301 [1,1,0,0,0,0|0,1,0]=3 3737 B13R1.314 COC(=O)c1cc(cc(c1)SC)O 62a_200000210301_100000696291 [1,1,0,0,0,0|0,1,0]=3 3738 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])Br 62a_100012339729_200025704644 [1,1,0,0,0,0|0,1,0]=3 3739 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])Br 62a_200025704644_100012339729 [1,1,0,0,0,0|0,1,0]=3 3740 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])C 62a_100012359405_200025704644 [1,1,0,0,0,0|0,1,0]=3 3741 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])C 62a_200025704644_100012359405 [1,1,0,0,0,0|0,1,0]=3 3742 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])Cl 62a_100000695173_200025704644 [1,1,0,0,0,0|0,1,0]=3 3743 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])Cl 62a_200025704644_100000695173 [1,1,0,0,0,0|0,1,0]=3 3744 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])F 62a_100000698578_200025704644 [1,1,0,0,0,0|0,1,0]=3 3745 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])F 62a_200025704644_100000698578 [1,1,0,0,0,0|0,1,0]=3 3746 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])N 62a_100138415615_200025704644 [1,1,0,0,0,0|0,1,0]=3 3747 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])N 62a_200025704644_100138415615 [1,1,0,0,0,0|0,1,0]=3 3748 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])O 62a_100000696291_200025704644 [1,1,0,0,0,0|0,1,0]=3 3749 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])O 62a_200025704644_100000696291 [1,1,0,0,0,0|0,1,0]=3 3750 B13R1.314 COC(=O)c1cc(cc(n1)O)OC 271570a_203496583355_100010161163 [1,1,0,0,0,0|1,0,0]=3 3751 B13R1.314 COC(=O)c1cc(cc(n1)OC)O 271570a_203496583355_100010136341 [1,1,0,0,0,0|1,0,0]=3 3752 B13R1.314 COC(=O)c1cc(cc(n1)SC)C 62a_100009865194_200000210301 [1,1,0,0,0,0|1,1,0]=4 3753 B13R1.314 COC(=O)c1cc(cc(n1)SC)C 62a_200000210301_100009865194 [1,1,0,0,0,0|1,1,0]=4 3754 B13R1.314 COC(=O)c1cc(cc(n1)S[13CH3])C 62a_100009865194_200025704644 [1,1,0,0,0,0|1,1,0]=4 3755 B13R1.314 COC(=O)c1cc(cc(n1)S[13CH3])C 62a_200025704644_100009865194 [1,1,0,0,0,0|1,1,0]=4 3756 B13R1.314 COC(=O)c1cc(nc(c1)OC)O 271570a_203496583355_100009994165 [1,1,0,0,0,0|1,0,0]=3 3757 B13R1.314 COC(=O)c1cc(nc(c1)SC)C 62a_100000695393_200000210301 [1,1,0,0,0,0|1,1,0]=4 3758 B13R1.314 COC(=O)c1cc(nc(c1)SC)C 62a_200000210301_100000695393 [1,1,0,0,0,0|1,1,0]=4 3759 B13R1.314 COC(=O)c1cc(nc(c1)SC)N 62a_100000062536_200000210301 [1,1,0,0,0,0|1,1,0]=4 3760 B13R1.314 COC(=O)c1cc(nc(c1)SC)N 62a_200000210301_100000062536 [1,1,0,0,0,0|1,1,0]=4 3761 B13R1.314 COC(=O)c1cc(nc(c1)S[13CH3])C 62a_100000695393_200025704644 [1,1,0,0,0,0|1,1,0]=4 3762 B13R1.314 COC(=O)c1cc(nc(c1)S[13CH3])C 62a_200025704644_100000695393 [1,1,0,0,0,0|1,1,0]=4 3763 B13R1.314 COC(=O)c1cc(nc(c1)S[13CH3])N 62a_100000062536_200025704644 [1,1,0,0,0,0|1,1,0]=4 3764 B13R1.314 COC(=O)c1cc(nc(c1)S[13CH3])N 62a_200025704644_100000062536 [1,1,0,0,0,0|1,1,0]=4 3765 B13R1.314 COC(=O)c1cc(nc(n1)O)OC 271570a_203496583355_200010218615 [1,1,0,0,0,0|2,0,0]=4 3766 B13R1.314 COC(=O)c1cc(nc(n1)OC)O 271570a_203496583355_100010894482 [1,1,0,0,0,0|2,0,0]=4 3767 B13R1.314 COc1cc(cc(c1)C(=O)CF)Br 1458a_100011934030_100015361967 [1,1,0,0,0,0|2,0,0]=4 3768 B13R1.314 COc1cc(cc(c1)C(=O)CF)C 1458a_100000117910_100015361967 [1,1,0,0,0,0|2,0,0]=4 3769 B13R1.314 COc1cc(cc(c1)C(=O)CF)Cl 1458a_100000066651_100015361967 [1,1,0,0,0,0|2,0,0]=4 3770 B13R1.314 COc1cc(cc(c1)C(=O)CF)F 1458a_100011934639_100015361967 [1,1,0,0,0,0|2,0,0]=4 3771 B13R1.314 COc1cc(cc(c1)C(=O)CF)I 1458a_200010292657_100015361967 [1,1,0,0,0,0|2,0,0]=4 3772 B13R1.314 COc1cc(cc(c1)C(=O)CF)O 1458a_100000083963_100015361967 [1,1,0,0,0,0|2,0,0]=4 3773 B13R1.374 C=C=Cc1cccc(c1)C(=O)OC 271570a_100015277604_100000148679 [1,1,0,0,0,0|1,0,1]=4 3774 B13R1.374 CC=Cc1cc(ccn1)C(=O)OC 271570a_100016259895_100011934382 [1,1,0,0,0,0|2,0,0]=4 3775 B13R1.374 CC=Cc1cccc(c1)C(=O)CC 271570a_100016259895_100000211677 [1,1,0,0,0,0|2,0,0]=4 3776 B13R1.374 CC=Cc1cccc(c1)C(=O)NC 271570a_100016259895_100000155082 [1,1,0,0,0,0|2,0,0]=4 3777 B13R1.374 CC=Cc1cccc(c1)C(=O)OC 271570a_100016259895_100000148679 [1,1,0,0,0,0|1,0,0]=3 3778 B13R1.374 CC=Cc1cccc(n1)C(=O)OC 271570a_100016259895_100000708286 [1,1,0,0,0,0|2,0,0]=4 3779 B13R1.374 CC=Cc1ccnc(c1)C(=O)OC 271570a_100016259895_100000693414 [1,1,0,0,0,0|2,0,0]=4 3780 B13R1.374 CC=Cc1cncc(c1)C(=O)OC 271570a_100016259895_100000148912 [1,1,0,0,0,0|2,0,0]=4 3781 B13R1.374 CCC(=O)c1cccc(c1)CCO 1458a_100009869812_100000210202 [1,1,0,0,0,0|2,0,0]=4 3782 B13R1.374 CCC(=O)c1cccc(c1)CNC 26a_100102657272_100011996911 [1,1,0,0,0,0|2,0,0]=4 3783 B13R1.374 CCC(=O)c1cccc(c1)COC 1458a_100000199024_100000210202 [1,1,0,0,0,0|1,0,0]=3 3784 B13R1.374 CCC(=O)c1cccc(c1)OCF 34a_100011996911_100015361967 [1,1,0,0,0,0|1,0,0]=3 3785 B13R1.374 CCC(=O)c1cccc(c1)OCF 7a_100011996911_100015361967 [1,1,0,0,0,0|1,0,0]=3 3786 B13R1.374 CCC(=O)c1cccc(c1)SCF 62a_100000211677_100015361967 [1,1,0,0,0,0|1,1,0]=4 3787 B13R1.374 CCC(=O)c1cccc(c1)SCF 62a_100015361967_100000211677 [1,1,0,0,0,0|1,1,0]=4 3788 B13R1.374 CCNc1cccc(c1)C(=O)NC 34a_100000185133_100000210202 [1,1,0,0,0,0|2,0,0]=4 3789 B13R1.374 CCNc1cccc(n1)C(=O)OC 27a_100015525214_100000708286 [1,1,0,0,0,0|2,0,0]=4 3790 B13R1.374 CCOc1cc(ccn1)C(=O)OC 34a_100138552365_100000210202 [1,1,0,0,0,0|1,0,0]=3 3791 B13R1.374 CCOc1cccc(c1)C(=O)CBr 7a_100009813753_100000210202 [1,1,0,0,0,0|2,0,0]=4 3792 B13R1.374 CCOc1cccc(c1)C(=O)CC 1458a_100000216331_100000210202 [1,1,0,0,0,0|1,0,0]=3 3793 B13R1.374 CCOc1cccc(c1)C(=O)CC 34a_100011996911_100000210202 [1,1,0,0,0,0|1,0,0]=3 3794 B13R1.374 CCOc1cccc(c1)C(=O)CC 7a_100011996911_100000210202 [1,1,0,0,0,0|1,0,0]=3 3795 B13R1.374 CCOc1cccc(c1)C(=O)CF 1458a_100000216331_100015361967 [1,1,0,0,0,0|2,0,0]=4 3796 B13R1.374 CCOc1cccc(c1)C(=O)NC 11a_106832991635_100000216331 [1,1,0,0,0,0|1,0,0]=3 3797 B13R1.374 CCOc1cccc(c1)C(=O)NC 1626a_100102657272_100000216331 [1,1,0,0,0,0|1,0,0]=3 3798 B13R1.374 CCOc1cccc(c1)C(=O)NC 240690a_100102657272_100000216331 [1,1,0,0,0,0|1,0,0]=3 3799 B13R1.374 CCOc1cccc(c1)C(=O)NC 34a_100000159807_100000210202 [1,1,0,0,0,0|1,0,0]=3 3800 B13R1.374 CCOc1cccc(c1)C(=O)NC 527a_100102657272_100000216331 [1,1,0,0,0,0|1,0,0]=3 3801 B13R1.374 CCOc1cccc(c1)C(=O)NC 7a_100000159807_100000210202 [1,1,0,0,0,0|1,0,0]=3 3802 B13R1.374 CCOc1cccc(c1)C(=O)NN 34a_100000184184_100000210202 [1,1,0,0,0,0|2,0,0]=4 3803 B13R1.374 CCOc1cccc(c1)C(=O)OC 34a_100000150331_100000210202 [1,1,0,0,0,0|0,0,0]=2 3804 B13R1.374 CCOc1cccc(c1)C(=O)OC 7a_100000150331_100000210202 [1,1,0,0,0,0|0,0,0]=2 3805 B13R1.374 CCOc1ccnc(c1)C(=O)OC 34a_200020638413_100000210202 [1,1,0,0,0,0|1,0,0]=3 3806 B13R1.374 CCOc1cncc(c1)C(=O)OC 34a_100000687108_100000210202 [1,1,0,0,0,0|1,0,0]=3 3807 B13R1.374 CCOc1cncc(c1)C(=O)OC 7a_100000687108_100000210202 [1,1,0,0,0,0|1,0,0]=3 3808 B13R1.374 CCSc1cc(ccn1)C(=O)OC 62a_100000210202_100011934382 [1,1,0,0,0,0|1,1,0]=4 3809 B13R1.374 CCSc1cc(ccn1)C(=O)OC 62a_100011934382_100000210202 [1,1,0,0,0,0|1,1,0]=4 3810 B13R1.374 CCSc1cccc(c1)C(=O)CC 62a_100000210202_100000211677 [1,1,0,0,0,0|1,1,0]=4 3811 B13R1.374 CCSc1cccc(c1)C(=O)CC 62a_100000211677_100000210202 [1,1,0,0,0,0|1,1,0]=4 3812 B13R1.374 CCSc1cccc(c1)C(=O)NC 62a_100000155082_100000210202 [1,1,0,0,0,0|1,1,0]=4 3813 B13R1.374 CCSc1cccc(c1)C(=O)NC 62a_100000210202_100000155082 [1,1,0,0,0,0|1,1,0]=4 3814 B13R1.374 CCSc1cccc(c1)C(=O)OC 62a_100000148848_100000210202 [1,1,0,0,0,0|0,1,0]=3 3815 B13R1.374 CCSc1cccc(c1)C(=O)OC 62a_100000210202_100000148848 [1,1,0,0,0,0|0,1,0]=3 3816 B13R1.374 CCSc1cccc(n1)C(=O)OC 62a_100000210202_100000708286 [1,1,0,0,0,0|1,1,0]=4 3817 B13R1.374 CCSc1cccc(n1)C(=O)OC 62a_100000708286_100000210202 [1,1,0,0,0,0|1,1,0]=4 3818 B13R1.374 CCSc1ccnc(c1)C(=O)OC 62a_100000210202_100000693414 [1,1,0,0,0,0|1,1,0]=4 3819 B13R1.374 CCSc1ccnc(c1)C(=O)OC 62a_100000693414_100000210202 [1,1,0,0,0,0|1,1,0]=4 3820 B13R1.374 CCSc1cncc(c1)C(=O)OC 62a_100000148912_100000210202 [1,1,0,0,0,0|1,1,0]=4 3821 B13R1.374 CCSc1cncc(c1)C(=O)OC 62a_100000210202_100000148912 [1,1,0,0,0,0|1,1,0]=4 3822 B13R1.374 CNC(=O)c1cccc(c1)CCO 1626a_100102657272_100009869812 [1,1,0,0,0,0|2,0,0]=4 3823 B13R1.374 CNC(=O)c1cccc(c1)CCO 240690a_100102657272_100009869812 [1,1,0,0,0,0|2,0,0]=4 3824 B13R1.374 CNC(=O)c1cccc(c1)COC 11a_106832991635_100000199024 [1,1,0,0,0,0|1,0,0]=3 3825 B13R1.374 CNC(=O)c1cccc(c1)COC 1626a_100102657272_100000199024 [1,1,0,0,0,0|1,0,0]=3 3826 B13R1.374 CNC(=O)c1cccc(c1)COC 240690a_100102657272_100000199024 [1,1,0,0,0,0|1,0,0]=3 3827 B13R1.374 CNC(=O)c1cccc(c1)COC 34a_100138415774_100000755619 [1,1,0,0,0,0|1,0,0]=3 3828 B13R1.374 CNC(=O)c1cccc(c1)COC 527a_100102657272_100000199024 [1,1,0,0,0,0|1,0,0]=3 3829 B13R1.374 CNC(=O)c1cccc(c1)CSC 62a_100000755619_200000210301 [1,1,0,0,0,0|1,1,0]=4 3830 B13R1.374 CNC(=O)c1cccc(c1)CSC 62a_200000210301_100000755619 [1,1,0,0,0,0|1,1,0]=4 3831 B13R1.374 CNC(=O)c1cccc(c1)CS[13CH3] 62a_100000755619_200025704644 [1,1,0,0,0,0|1,1,0]=4 3832 B13R1.374 CNC(=O)c1cccc(c1)CS[13CH3] 62a_200025704644_100000755619 [1,1,0,0,0,0|1,1,0]=4 3833 B13R1.374 CNC(=O)c1cccc(c1)NCF 34a_100000185133_100015361967 [1,1,0,0,0,0|2,0,0]=4 3834 B13R1.374 CNC(=O)c1cccc(c1)OCF 34a_100000159807_100015361967 [1,1,0,0,0,0|1,0,0]=3 3835 B13R1.374 CNC(=O)c1cccc(c1)OCF 7a_100000159807_100015361967 [1,1,0,0,0,0|1,0,0]=3 3836 B13R1.374 CNC(=O)c1cccc(c1)SCF 62a_100000155082_100015361967 [1,1,0,0,0,0|1,1,0]=4 3837 B13R1.374 CNC(=O)c1cccc(c1)SCF 62a_100015361967_100000155082 [1,1,0,0,0,0|1,1,0]=4 3838 B13R1.374 CNCc1cc(ccn1)C(=O)OC 2230a_106832991635_100020667620 [1,1,0,0,0,0|2,0,0]=4 3839 B13R1.374 CNCc1cc(ccn1)C(=O)OC 270004a_106832991635_100009884558 [1,1,0,0,0,0|2,0,0]=4 3840 B13R1.374 CNCc1cc(ccn1)C(=O)OC 7a_106832991635_100020667620 [1,1,0,0,0,0|2,0,0]=4 3841 B13R1.374 CNCc1cccc(c1)C(=O)NC 2230a_106832991635_100000755619 [1,1,0,0,0,0|2,0,0]=4 3842 B13R1.374 CNCc1cccc(c1)C(=O)NC 34a_100102657272_100000755619 [1,1,0,0,0,0|2,0,0]=4 3843 B13R1.374 CNCc1cccc(c1)C(=O)NC 7a_106832991635_100000755619 [1,1,0,0,0,0|2,0,0]=4 3844 B13R1.374 CNCc1cccc(c1)C(=O)OC 2230a_106832991635_100000184886 [1,1,0,0,0,0|1,0,0]=3 3845 B13R1.374 CNCc1cccc(c1)C(=O)OC 26a_100102657272_100000150331 [1,1,0,0,0,0|1,0,0]=3 3846 B13R1.374 CNCc1cccc(c1)C(=O)OC 270004a_106832991635_100000687630 [1,1,0,0,0,0|1,0,0]=3 3847 B13R1.374 CNCc1cccc(c1)C(=O)OC 34a_100102657272_100000184886 [1,1,0,0,0,0|1,0,0]=3 3848 B13R1.374 CNCc1cccc(c1)C(=O)OC 7a_106832991635_100000184886 [1,1,0,0,0,0|1,0,0]=3 3849 B13R1.374 CNCc1cccc(n1)C(=O)OC 2230a_106832991635_100000097194 [1,1,0,0,0,0|2,0,0]=4 3850 B13R1.374 CNCc1cccc(n1)C(=O)OC 270004a_106832991635_100000085286 [1,1,0,0,0,0|2,0,0]=4 3851 B13R1.374 CNCc1cccc(n1)C(=O)OC 34a_100102657272_100010006753 [1,1,0,0,0,0|2,0,0]=4 3852 B13R1.374 CNCc1cccc(n1)C(=O)OC 7a_106832991635_100000097194 [1,1,0,0,0,0|2,0,0]=4 3853 B13R1.374 CNCc1cncc(c1)C(=O)OC 2230a_106832991635_100020633827 [1,1,0,0,0,0|2,0,0]=4 3854 B13R1.374 CNCc1cncc(c1)C(=O)OC 7a_106832991635_100020633827 [1,1,0,0,0,0|2,0,0]=4 3855 B13R1.374 COC(=O)c1cc(ccn1)OCF 34a_200020638413_100015361967 [1,1,0,0,0,0|1,0,0]=3 3856 B13R1.374 COC(=O)c1cc(ccn1)SCF 62a_100000693414_100015361967 [1,1,0,0,0,0|1,1,0]=4 3857 B13R1.374 COC(=O)c1cc(ccn1)SCF 62a_100015361967_100000693414 [1,1,0,0,0,0|1,1,0]=4 3858 B13R1.374 COC(=O)c1cccc(c1)CO[13CH3] 34a_100000750316_200025704644 [1,1,0,0,0,0|0,0,0]=2 3859 B13R1.374 COC(=O)c1cccc(c1)CO[13CH3] 7a_100000750316_200025704644 [1,1,0,0,0,0|0,0,0]=2 3860 B13R1.374 COC(=O)c1cccc(c1)CSC 62a_100000184886_200000210301 [1,1,0,0,0,0|0,1,0]=3 3861 B13R1.374 COC(=O)c1cccc(c1)CSC 62a_200000210301_100000184886 [1,1,0,0,0,0|0,1,0]=3 3862 B13R1.374 COC(=O)c1cccc(c1)CS[13CH3] 62a_100000184886_200025704644 [1,1,0,0,0,0|0,1,0]=3 3863 B13R1.374 COC(=O)c1cccc(c1)CS[13CH3] 62a_200025704644_100000184886 [1,1,0,0,0,0|0,1,0]=3 3864 B13R1.374 COC(=O)c1cccc(c1)OCF 34a_100000150331_100015361967 [1,1,0,0,0,0|0,0,0]=2 3865 B13R1.374 COC(=O)c1cccc(c1)OCF 7a_100000150331_100015361967 [1,1,0,0,0,0|0,0,0]=2 3866 B13R1.374 COC(=O)c1cccc(c1)SCF 62a_100000148848_100015361967 [1,1,0,0,0,0|0,1,0]=3 3867 B13R1.374 COC(=O)c1cccc(c1)SCF 62a_100015361967_100000148848 [1,1,0,0,0,0|0,1,0]=3 3868 B13R1.374 COC(=O)c1cccc(n1)CSC 62a_100000097194_200000210301 [1,1,0,0,0,0|1,1,0]=4 3869 B13R1.374 COC(=O)c1cccc(n1)CSC 62a_200000210301_100010006753 [1,1,0,0,0,0|1,1,0]=4 3870 B13R1.374 COC(=O)c1cccc(n1)CS[13CH3] 62a_100000097194_200025704644 [1,1,0,0,0,0|1,1,0]=4 3871 B13R1.374 COC(=O)c1cccc(n1)CS[13CH3] 62a_200025704644_100010006753 [1,1,0,0,0,0|1,1,0]=4 3872 B13R1.374 COC(=O)c1cccc(n1)SCF 62a_100000708286_100015361967 [1,1,0,0,0,0|1,1,0]=4 3873 B13R1.374 COC(=O)c1cccc(n1)SCF 62a_100015361967_100000708286 [1,1,0,0,0,0|1,1,0]=4 3874 B13R1.374 COC(=O)c1ccnc(c1)CSC 62a_100020667620_200000210301 [1,1,0,0,0,0|1,1,0]=4 3875 B13R1.374 COC(=O)c1ccnc(c1)CSC 62a_200000210301_100020667620 [1,1,0,0,0,0|1,1,0]=4 3876 B13R1.374 COC(=O)c1ccnc(c1)CS[13CH3] 62a_100020667620_200025704644 [1,1,0,0,0,0|1,1,0]=4 3877 B13R1.374 COC(=O)c1ccnc(c1)CS[13CH3] 62a_200025704644_100020667620 [1,1,0,0,0,0|1,1,0]=4 3878 B13R1.374 COC(=O)c1ccnc(c1)OCF 34a_100138552365_100015361967 [1,1,0,0,0,0|1,0,0]=3 3879 B13R1.374 COC(=O)c1ccnc(c1)SCF 62a_100011934382_100015361967 [1,1,0,0,0,0|1,1,0]=4 3880 B13R1.374 COC(=O)c1ccnc(c1)SCF 62a_100015361967_100011934382 [1,1,0,0,0,0|1,1,0]=4 3881 B13R1.374 COC(=O)c1cncc(c1)CO[13CH3] 34a_100009869914_200025704644 [1,1,0,0,0,0|1,0,0]=3 3882 B13R1.374 COC(=O)c1cncc(c1)CO[13CH3] 7a_100009869914_200025704644 [1,1,0,0,0,0|1,0,0]=3 3883 B13R1.374 COC(=O)c1cncc(c1)CSC 62a_100020633827_200000210301 [1,1,0,0,0,0|1,1,0]=4 3884 B13R1.374 COC(=O)c1cncc(c1)CSC 62a_200000210301_100020633827 [1,1,0,0,0,0|1,1,0]=4 3885 B13R1.374 COC(=O)c1cncc(c1)CS[13CH3] 62a_100020633827_200025704644 [1,1,0,0,0,0|1,1,0]=4 3886 B13R1.374 COC(=O)c1cncc(c1)CS[13CH3] 62a_200025704644_100020633827 [1,1,0,0,0,0|1,1,0]=4 3887 B13R1.374 COC(=O)c1cncc(c1)OCF 34a_100000687108_100015361967 [1,1,0,0,0,0|1,0,0]=3 3888 B13R1.374 COC(=O)c1cncc(c1)OCF 7a_100000687108_100015361967 [1,1,0,0,0,0|1,0,0]=3 3889 B13R1.374 COC(=O)c1cncc(c1)SCF 62a_100000148912_100015361967 [1,1,0,0,0,0|1,1,0]=4 3890 B13R1.374 COC(=O)c1cncc(c1)SCF 62a_100015361967_100000148912 [1,1,0,0,0,0|1,1,0]=4 3891 B13R1.374 COCc1cccc(c1)C(=O)CF 1458a_100000199024_100015361967 [1,1,0,0,0,0|2,0,0]=4 3892 B13R1.374 COCc1cccc(c1)C(=O)OC 34a_100000750316_200000210301 [1,1,0,0,0,0|0,0,0]=2 3893 B13R1.374 COCc1cccc(c1)C(=O)OC 34a_100138415774_100000184886 [1,1,0,0,0,0|0,0,0]=2 3894 B13R1.374 COCc1cccc(c1)C(=O)OC 7a_100000750316_200000210301 [1,1,0,0,0,0|0,0,0]=2 3895 B13R1.374 COCc1cccc(n1)C(=O)OC 34a_100138415774_100010006753 [1,1,0,0,0,0|1,0,0]=3 3896 B13R1.374 COCc1cncc(c1)C(=O)OC 34a_100009869914_200000210301 [1,1,0,0,0,0|1,0,0]=3 3897 B13R1.374 COCc1cncc(c1)C(=O)OC 7a_100009869914_200000210301 [1,1,0,0,0,0|1,0,0]=3 3898 B13R1.374 NNC(=O)c1cccc(c1)OCF 34a_100000184184_100015361967 [1,1,0,0,0,0|2,0,0]=4 3899 B13R1.374 O=C(CBr)c1cccc(c1)OCF 7a_100009813753_100015361967 [1,1,0,0,0,0|2,0,0]=4 3900 B13R1.460 C#CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000184674 [1,1,0,0,0,0|1,0,1]=4 3901 B13R1.460 C=CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210623 [1,1,0,0,0,0|1,0,1]=4 3902 B13R1.460 C=Cc1cccc(c1)C(=O)OCC 271570a_100011290941_100000170211 [1,1,0,0,0,0|1,0,1]=4 3903 B13R1.460 CCCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210303 [1,1,0,0,0,0|2,0,0]=4 3904 B13R1.460 CCCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210303 [1,1,0,0,0,0|1,0,0]=3 3905 B13R1.460 CCCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210303 [1,1,0,0,0,0|1,1,0]=4 3906 B13R1.460 CCNC(=O)c1cccc(c1)CC 11a_100015525214_100011933908 [1,1,0,0,0,0|2,0,0]=4 3907 B13R1.460 CCNC(=O)c1cccc(c1)CC 240690a_100015525214_100011933908 [1,1,0,0,0,0|2,0,0]=4 3908 B13R1.460 CCNC(=O)c1cccc(c1)CC 527a_100015525214_100011933908 [1,1,0,0,0,0|2,0,0]=4 3909 B13R1.460 CCNC(=O)c1cccc(c1)NC 34a_100000181407_200000210301 [1,1,0,0,0,0|2,0,0]=4 3910 B13R1.460 CCNC(=O)c1cccc(c1)NC 7a_100000181407_200000210301 [1,1,0,0,0,0|2,0,0]=4 3911 B13R1.460 CCNC(=O)c1cccc(c1)N[13CH3] 34a_100000181407_200025704644 [1,1,0,0,0,0|2,0,0]=4 3912 B13R1.460 CCNC(=O)c1cccc(c1)N[13CH3] 7a_100000181407_200025704644 [1,1,0,0,0,0|2,0,0]=4 3913 B13R1.460 CCNC(=O)c1cccc(c1)OC 11a_100015525214_100000188888 [1,1,0,0,0,0|1,0,0]=3 3914 B13R1.460 CCNC(=O)c1cccc(c1)OC 240690a_100015525214_100000188888 [1,1,0,0,0,0|1,0,0]=3 3915 B13R1.460 CCNC(=O)c1cccc(c1)OC 527a_100015525214_100000188888 [1,1,0,0,0,0|1,0,0]=3 3916 B13R1.460 CCNC(=O)c1cccc(c1)OC 7a_100000160095_200000210301 [1,1,0,0,0,0|1,0,0]=3 3917 B13R1.460 CCNC(=O)c1cccc(c1)O[13CH3] 7a_100000160095_200025704644 [1,1,0,0,0,0|1,0,0]=3 3918 B13R1.460 CCNC(=O)c1cccc(c1)SC 11a_100015525214_100011217804 [1,1,0,0,0,0|1,1,0]=4 3919 B13R1.460 CCNC(=O)c1cccc(c1)SC 240690a_100015525214_100011217804 [1,1,0,0,0,0|1,1,0]=4 3920 B13R1.460 CCNC(=O)c1cccc(c1)SC 527a_100015525214_100011217804 [1,1,0,0,0,0|1,1,0]=4 3921 B13R1.460 CCNC(=O)c1cccc(c1)SC 62a_100000155180_200000210301 [1,1,0,0,0,0|1,1,0]=4 3922 B13R1.460 CCNC(=O)c1cccc(c1)SC 62a_200000210301_100000155180 [1,1,0,0,0,0|1,1,0]=4 3923 B13R1.460 CCNC(=O)c1cccc(c1)S[13CH3] 62a_100000155180_200025704644 [1,1,0,0,0,0|1,1,0]=4 3924 B13R1.460 CCNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155180 [1,1,0,0,0,0|1,1,0]=4 3925 B13R1.460 CCOC(=O)c1cc(ccn1)SC 62a_100010210110_200000210301 [1,1,0,0,0,0|1,1,0]=4 3926 B13R1.460 CCOC(=O)c1cc(ccn1)SC 62a_200000210301_100010210110 [1,1,0,0,0,0|1,1,0]=4 3927 B13R1.460 CCOC(=O)c1cc(ccn1)S[13CH3] 62a_100010210110_200025704644 [1,1,0,0,0,0|1,1,0]=4 3928 B13R1.460 CCOC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100010210110 [1,1,0,0,0,0|1,1,0]=4 3929 B13R1.460 CCOC(=O)c1cccc(c1)OC 7a_100000169910_200000210301 [1,1,0,0,0,0|0,0,0]=2 3930 B13R1.460 CCOC(=O)c1cccc(c1)O[13CH3] 7a_100000169910_200025704644 [1,1,0,0,0,0|0,0,0]=2 3931 B13R1.460 CCOC(=O)c1cccc(c1)SC 62a_100000170211_200000210301 [1,1,0,0,0,0|0,1,0]=3 3932 B13R1.460 CCOC(=O)c1cccc(c1)SC 62a_200000210301_100000170211 [1,1,0,0,0,0|0,1,0]=3 3933 B13R1.460 CCOC(=O)c1cccc(c1)S[13CH3] 62a_100000170211_200025704644 [1,1,0,0,0,0|0,1,0]=3 3934 B13R1.460 CCOC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000170211 [1,1,0,0,0,0|0,1,0]=3 3935 B13R1.460 CCOC(=O)c1cccc(n1)NC 27a_100102657272_100000695914 [1,1,0,0,0,0|2,0,0]=4 3936 B13R1.460 CCOC(=O)c1cccc(n1)SC 62a_100000695914_200000210301 [1,1,0,0,0,0|1,1,0]=4 3937 B13R1.460 CCOC(=O)c1cccc(n1)SC 62a_200000210301_100000695914 [1,1,0,0,0,0|1,1,0]=4 3938 B13R1.460 CCOC(=O)c1cccc(n1)S[13CH3] 62a_100000695914_200025704644 [1,1,0,0,0,0|1,1,0]=4 3939 B13R1.460 CCOC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000695914 [1,1,0,0,0,0|1,1,0]=4 3940 B13R1.460 CCOC(=O)c1ccnc(c1)SC 62a_100012350809_200000210301 [1,1,0,0,0,0|1,1,0]=4 3941 B13R1.460 CCOC(=O)c1ccnc(c1)SC 62a_200000210301_100011213083 [1,1,0,0,0,0|1,1,0]=4 3942 B13R1.460 CCOC(=O)c1ccnc(c1)S[13CH3] 62a_100012350809_200025704644 [1,1,0,0,0,0|1,1,0]=4 3943 B13R1.460 CCOC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011213083 [1,1,0,0,0,0|1,1,0]=4 3944 B13R1.460 CCOC(=O)c1cncc(c1)OC 7a_100000185702_200000210301 [1,1,0,0,0,0|1,0,0]=3 3945 B13R1.460 CCOC(=O)c1cncc(c1)O[13CH3] 7a_100000185702_200025704644 [1,1,0,0,0,0|1,0,0]=3 3946 B13R1.460 CCOC(=O)c1cncc(c1)SC 62a_100000170250_200000210301 [1,1,0,0,0,0|1,1,0]=4 3947 B13R1.460 CCOC(=O)c1cncc(c1)SC 62a_200000210301_100000170250 [1,1,0,0,0,0|1,1,0]=4 3948 B13R1.460 CCOC(=O)c1cncc(c1)S[13CH3] 62a_100000170250_200025704644 [1,1,0,0,0,0|1,1,0]=4 3949 B13R1.460 CCOC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100000170250 [1,1,0,0,0,0|1,1,0]=4 3950 B13R1.460 CCOC(C)c1cccc(c1)OC 34a_100000246466_100000210202 [1,1,0,0,0,0|1,0,1]=4 3951 B13R1.460 CCOC(C)c1cccc(c1)OC 7a_100000246466_100000210202 [1,1,0,0,0,0|1,0,1]=4 3952 B13R1.460 CCc1cccc(c1)C(=O)CCF 1458a_100011933908_100011217306 [1,1,0,0,0,0|2,0,0]=4 3953 B13R1.460 CCc1cccc(c1)C(=O)CCO 1458a_100011933908_100000211926 [1,1,0,0,0,0|2,0,0]=4 3954 B13R1.460 CCc1cccc(c1)C(=O)NNC 22a_100016993582_100011933908 [1,1,0,0,0,0|2,0,0]=4 3955 B13R1.460 CNCC(=O)c1cccc(c1)OC 34a_100102657272_100000211451 [1,1,0,0,0,0|1,0,0]=3 3956 B13R1.460 CNCC(=O)c1cccc(c1)OC 7a_106832991635_100000211451 [1,1,0,0,0,0|1,0,0]=3 3957 B13R1.460 CNNC(=O)c1cccc(c1)OC 22a_100016993582_100000188888 [1,1,0,0,0,0|1,0,0]=3 3958 B13R1.460 CNNC(=O)c1cccc(c1)SC 22a_100016993582_100011217804 [1,1,0,0,0,0|1,1,0]=4 3959 B13R1.460 COCC(=O)c1cccc(c1)C#N 34a_100138415774_100000751541 [1,1,0,0,0,0|2,0,0]=4 3960 B13R1.460 COCC(=O)c1cccc(c1)OC 34a_100138415774_100000211451 [1,1,0,0,0,0|0,0,0]=2 3961 B13R1.460 COCC(N)c1cccc(c1)OC 34a_100020589383_200000210301 [1,1,0,0,0,0|1,0,1]=4 3962 B13R1.460 COCN(C)c1cccc(c1)OC 2230a_100000219725_100000766300 [1,1,0,0,0,0|2,0,0]=4 3963 B13R1.460 COCN(C)c1cccc(c1)OC 269982a_100000219725_100000766300 [1,1,0,0,0,0|2,0,0]=4 3964 B13R1.460 COc1cccc(c1)C(=O)CC#N 1458a_100000188888_100011214920 [1,1,0,0,0,0|1,0,1]=4 3965 B13R1.460 COc1cccc(c1)C(=O)CCF 1458a_100000188888_100011217306 [1,1,0,0,0,0|1,0,0]=3 3966 B13R1.460 COc1cccc(c1)C(=O)CCO 1458a_100000188888_100000211926 [1,1,0,0,0,0|1,0,0]=3 3967 B13R1.460 COc1cccc(c1)C(=O)CSC 62a_100000211451_200000210301 [1,1,0,0,0,0|0,1,0]=3 3968 B13R1.460 COc1cccc(c1)C(=O)CSC 62a_200000210301_100000211451 [1,1,0,0,0,0|0,1,0]=3 3969 B13R1.460 COc1cccc(c1)C(=O)CS[13CH3] 62a_100000211451_200025704644 [1,1,0,0,0,0|0,1,0]=3 3970 B13R1.460 COc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000211451 [1,1,0,0,0,0|0,1,0]=3 3971 B13R1.460 COc1cccc(c1)C(C)OCF 34a_100000246466_100015361967 [1,1,0,0,0,0|1,0,1]=4 3972 B13R1.460 COc1cccc(c1)C(C)OCF 7a_100000246466_100015361967 [1,1,0,0,0,0|1,0,1]=4 3973 B13R1.460 COc1cccc(c1)C(N)CO[13CH3] 34a_100020589383_200025704644 [1,1,0,0,0,0|1,0,1]=4 3974 B13R1.460 CSc1cccc(c1)C(=O)CCF 1458a_100011217804_100011217306 [1,1,0,0,0,0|1,1,0]=4 3975 B13R1.460 CSc1cccc(c1)C(=O)CCO 1458a_100011217804_100000211926 [1,1,0,0,0,0|1,1,0]=4 3976 B13R1.543 C=C(C)c1cc(ccn1)C(=O)OC 271570a_100000694244_100011934382 [1,1,0,0,0,0|2,0,0]=4 3977 B13R1.543 C=C(C)c1cccc(c1)C(=O)CC 271570a_100000694244_100000211677 [1,1,0,0,0,0|2,0,0]=4 3978 B13R1.543 C=C(C)c1cccc(c1)C(=O)NC 271570a_100000694244_100000155082 [1,1,0,0,0,0|2,0,0]=4 3979 B13R1.543 C=C(C)c1cccc(c1)C(=O)OC 271570a_100000694244_100000148679 [1,1,0,0,0,0|1,0,0]=3 3980 B13R1.543 C=C(C)c1cccc(n1)C(=O)OC 271570a_100000694244_100000708286 [1,1,0,0,0,0|2,0,0]=4 3981 B13R1.543 C=C(C)c1ccnc(c1)C(=O)OC 271570a_100000694244_100000693414 [1,1,0,0,0,0|2,0,0]=4 3982 B13R1.543 C=C(C)c1cncc(c1)C(=O)OC 271570a_100000694244_100000148912 [1,1,0,0,0,0|2,0,0]=4 3983 B13R1.543 CCC(=O)c1cccc(c1)C(C)C 1458a_100011934808_100000210202 [1,1,0,0,0,0|2,0,0]=4 3984 B13R1.543 CCC(=O)c1cccc(c1)C(C)O 1458a_100000090953_100000210202 [1,1,0,0,0,0|2,0,0]=4 3985 B13R1.543 CCC(=O)c1cccc(c1)N(C)C 1458a_100000210872_100000210202 [1,1,0,0,0,0|2,0,0]=4 3986 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 11a_106832991635_100011934808 [1,1,0,0,0,0|2,0,0]=4 3987 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 1626a_100102657272_100011934808 [1,1,0,0,0,0|2,0,0]=4 3988 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 240690a_100102657272_100011934808 [1,1,0,0,0,0|2,0,0]=4 3989 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 527a_100102657272_100011934808 [1,1,0,0,0,0|2,0,0]=4 3990 B13R1.543 CNC(=O)c1cccc(c1)C(C)O 240690a_100102657272_100000090953 [1,1,0,0,0,0|2,0,0]=4 3991 B13R1.543 CNC(=O)c1cccc(c1)N(C)C 11a_106832991635_100000210872 [1,1,0,0,0,0|2,0,0]=4 3992 B13R1.543 CNC(=O)c1cccc(c1)N(C)C 1626a_100102657272_100000210872 [1,1,0,0,0,0|2,0,0]=4 3993 B13R1.543 CNC(=O)c1cccc(c1)N(C)C 240690a_100102657272_100000210872 [1,1,0,0,0,0|2,0,0]=4 3994 B13R1.543 CNC(=O)c1cccc(c1)N(C)C 527a_100102657272_100000210872 [1,1,0,0,0,0|2,0,0]=4 3995 B13R1.543 COC(=O)c1cccc(c1)C(=O)C 1458a_100000035267_200000210301 [1,1,0,0,0,0|1,0,0]=3 3996 B13R1.543 COC(=O)c1cccc(c1)C(=O)[13CH3] 1458a_100000035267_200025704644 [1,1,0,0,0,0|1,0,0]=3 3997 B13R1.543 COC(=O)c1cccc(n1)N(C)C 27a_100102631434_100000708286 [1,1,0,0,0,0|2,0,0]=4 3998 B13R1.642 CC(C)C(=O)c1cccc(c1)S[13CH3] 62a_100011350656_200025704644 [1,1,0,0,0,0|1,1,0]=4 3999 B13R1.642 CC(C)C(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100011350656 [1,1,0,0,0,0|1,1,0]=4 4000 B13R1.642 CCc1cccc(c1)C(=O)C(C)C 1458a_100011933908_100000210206 [1,1,0,0,0,0|2,0,0]=4 4001 B13R1.642 CCc1cccc(c1)C(=O)N(C)C 11a_100102631434_100011933908 [1,1,0,0,0,0|2,0,0]=4 4002 B13R1.642 CCc1cccc(c1)C(=O)N(C)C 1626a_100102631434_100011933908 [1,1,0,0,0,0|2,0,0]=4 4003 B13R1.642 CCc1cccc(c1)C(=O)N(C)C 240690a_100102631434_100011933908 [1,1,0,0,0,0|2,0,0]=4 4004 B13R1.642 CCc1cccc(c1)C(=O)N(C)C 527a_100102631434_100011933908 [1,1,0,0,0,0|2,0,0]=4 4005 B13R1.642 CN(C)C(=O)c1cccc(c1)N[13CH3] 34a_100000246196_200025704644 [1,1,0,0,0,0|2,0,0]=4 4006 B13R1.642 CN(C)C(=O)c1cccc(c1)N[13CH3] 7a_100000246196_200025704644 [1,1,0,0,0,0|2,0,0]=4 4007 B13R1.642 CN(C)C(=O)c1cccc(c1)O[13CH3] 34a_100000159535_200025704644 [1,1,0,0,0,0|1,0,0]=3 4008 B13R1.642 CN(C)C(=O)c1cccc(c1)O[13CH3] 7a_100000159535_200025704644 [1,1,0,0,0,0|1,0,0]=3 4009 B13R1.642 CN(C)C(=O)c1cccc(c1)S[13CH3] 62a_100000159571_200025704644 [1,1,0,0,0,0|1,1,0]=4 4010 B13R1.642 CN(C)C(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000159571 [1,1,0,0,0,0|1,1,0]=4 4011 B13R1.642 CNc1cccc(c1)C(=O)C(C)C 27a_100102657272_100011350656 [1,1,0,0,0,0|2,0,0]=4 4012 B13R1.642 CNc1cccc(c1)C(=O)N(C)C 34a_100000246196_200000210301 [1,1,0,0,0,0|2,0,0]=4 4013 B13R1.642 CNc1cccc(c1)C(=O)N(C)C 7a_100000246196_200000210301 [1,1,0,0,0,0|2,0,0]=4 4014 B13R1.642 COc1cccc(c1)C(=C(C)C)C 271570a_200000049429_100000170001 [1,1,0,0,0,0|2,0,0]=4 4015 B13R1.642 COc1cccc(c1)C(=O)C(C)C 1458a_100000188888_100000210206 [1,1,0,0,0,0|1,0,0]=3 4016 B13R1.642 COc1cccc(c1)C(=O)N(C)C 11a_100102631434_100000188888 [1,1,0,0,0,0|1,0,0]=3 4017 B13R1.642 COc1cccc(c1)C(=O)N(C)C 1626a_100102631434_100000188888 [1,1,0,0,0,0|1,0,0]=3 4018 B13R1.642 COc1cccc(c1)C(=O)N(C)C 240690a_100102631434_100000188888 [1,1,0,0,0,0|1,0,0]=3 4019 B13R1.642 COc1cccc(c1)C(=O)N(C)C 34a_100000159535_200000210301 [1,1,0,0,0,0|1,0,0]=3 4020 B13R1.642 COc1cccc(c1)C(=O)N(C)C 527a_100102631434_100000188888 [1,1,0,0,0,0|1,0,0]=3 4021 B13R1.642 COc1cccc(c1)C(=O)N(C)C 7a_100000159535_200000210301 [1,1,0,0,0,0|1,0,0]=3 4022 B13R1.642 CSc1cccc(c1)C(=O)C(C)C 1458a_100011217804_100000210206 [1,1,0,0,0,0|1,1,0]=4 4023 B13R1.642 CSc1cccc(c1)C(=O)C(C)C 62a_100011350656_200000210301 [1,1,0,0,0,0|1,1,0]=4 4024 B13R1.642 CSc1cccc(c1)C(=O)C(C)C 62a_200000210301_100011350656 [1,1,0,0,0,0|1,1,0]=4 4025 B13R1.642 CSc1cccc(c1)C(=O)N(C)C 11a_100102631434_100011217804 [1,1,0,0,0,0|1,1,0]=4 4026 B13R1.642 CSc1cccc(c1)C(=O)N(C)C 1626a_100102631434_100011217804 [1,1,0,0,0,0|1,1,0]=4 4027 B13R1.642 CSc1cccc(c1)C(=O)N(C)C 240690a_100102631434_100011217804 [1,1,0,0,0,0|1,1,0]=4 4028 B13R1.642 CSc1cccc(c1)C(=O)N(C)C 527a_100102631434_100011217804 [1,1,0,0,0,0|1,1,0]=4 4029 B13R1.642 CSc1cccc(c1)C(=O)N(C)C 62a_100000159571_200000210301 [1,1,0,0,0,0|1,1,0]=4 4030 B13R1.642 CSc1cccc(c1)C(=O)N(C)C 62a_200000210301_100000159571 [1,1,0,0,0,0|1,1,0]=4 4031 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)Br 271570a_100011290941_100012340073 [1,1,0,0,0,0|1,0,1]=4 4032 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)C 271570a_100011290941_100012360116 [1,1,0,0,0,0|1,0,1]=4 4033 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)Cl 271570a_100011290941_100012353682 [1,1,0,0,0,0|1,0,1]=4 4034 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)F 271570a_100011290941_100000154357 [1,1,0,0,0,0|1,0,1]=4 4035 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)N 271570a_100011290941_100000212070 [1,1,0,0,0,0|1,0,1]=4 4036 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)O 271570a_100011290941_100000149868 [1,1,0,0,0,0|1,0,1]=4 4037 B13R1.2431 CCC(=O)c1cc(ccc1Br)OC 1458a_100000211723_100000210202 [1,1,0,0,0,0|1,0,0]=3 4038 B13R1.2431 CCC(=O)c1cc(ccc1C)OC 1458a_100011399813_100000210202 [1,1,0,0,0,0|1,0,0]=3 4039 B13R1.2431 CCC(=O)c1cc(ccc1Cl)OC 1458a_100000763818_100000210202 [1,1,0,0,0,0|1,0,0]=3 4040 B13R1.2431 CCC(=O)c1cc(ccc1Cl)SC 1458a_100000212015_100000210202 [1,1,0,0,0,0|1,1,0]=4 4041 B13R1.2431 CCC(=O)c1cc(ccc1F)OC 1458a_100011217016_100000210202 [1,1,0,0,0,0|1,0,0]=3 4042 B13R1.2431 CCC(=O)c1cc(ccc1F)SC 1458a_200012183283_100000210202 [1,1,0,0,0,0|1,1,0]=4 4043 B13R1.2431 CCC(=O)c1cc(ccc1I)OC 1458a_100012339533_100000210202 [1,1,0,0,0,0|1,0,0]=3 4044 B13R1.2431 CCC(=O)c1cc(ccc1O)CC 1458a_200000748397_100000210202 [1,1,0,0,0,0|2,0,0]=4 4045 B13R1.2431 CCC(=O)c1cc(ccc1O)OC 1458a_100000211986_100000210202 [1,1,0,0,0,0|1,0,0]=3 4046 B13R1.2431 CCc1ccc(c(c1)C(=O)NC)O 240690a_100102657272_200000748397 [1,1,0,0,0,0|2,0,0]=4 4047 B13R1.2431 CCc1ccc(c(c1)C(=O)NC)O 527a_100102657272_200000748397 [1,1,0,0,0,0|2,0,0]=4 4048 B13R1.2431 CNC(=O)c1cc(ccc1Br)OC 11a_106832991635_100000211723 [1,1,0,0,0,0|1,0,0]=3 4049 B13R1.2431 CNC(=O)c1cc(ccc1Br)OC 1626a_100102657272_100000211723 [1,1,0,0,0,0|1,0,0]=3 4050 B13R1.2431 CNC(=O)c1cc(ccc1Br)OC 240690a_100102657272_100000211723 [1,1,0,0,0,0|1,0,0]=3 4051 B13R1.2431 CNC(=O)c1cc(ccc1Br)OC 527a_100102657272_100000211723 [1,1,0,0,0,0|1,0,0]=3 4052 B13R1.2431 CNC(=O)c1cc(ccc1C)OC 11a_106832991635_100011399813 [1,1,0,0,0,0|1,0,0]=3 4053 B13R1.2431 CNC(=O)c1cc(ccc1C)OC 1626a_100102657272_100011399813 [1,1,0,0,0,0|1,0,0]=3 4054 B13R1.2431 CNC(=O)c1cc(ccc1C)OC 240690a_100102657272_100011399813 [1,1,0,0,0,0|1,0,0]=3 4055 B13R1.2431 CNC(=O)c1cc(ccc1C)OC 527a_100102657272_100011399813 [1,1,0,0,0,0|1,0,0]=3 4056 B13R1.2431 CNC(=O)c1cc(ccc1Cl)NC 2230a_100000742274_200000210301 [1,1,0,0,0,0|2,0,0]=4 4057 B13R1.2431 CNC(=O)c1cc(ccc1Cl)NC 34a_100000742274_200000210301 [1,1,0,0,0,0|2,0,0]=4 4058 B13R1.2431 CNC(=O)c1cc(ccc1Cl)N[13CH3] 2230a_100000742274_200025704644 [1,1,0,0,0,0|2,0,0]=4 4059 B13R1.2431 CNC(=O)c1cc(ccc1Cl)N[13CH3] 34a_100000742274_200025704644 [1,1,0,0,0,0|2,0,0]=4 4060 B13R1.2431 CNC(=O)c1cc(ccc1Cl)OC 11a_106832991635_100000763818 [1,1,0,0,0,0|1,0,0]=3 4061 B13R1.2431 CNC(=O)c1cc(ccc1Cl)OC 1626a_100102657272_100000763818 [1,1,0,0,0,0|1,0,0]=3 4062 B13R1.2431 CNC(=O)c1cc(ccc1Cl)OC 240690a_100102657272_100000763818 [1,1,0,0,0,0|1,0,0]=3 4063 B13R1.2431 CNC(=O)c1cc(ccc1Cl)OC 527a_100102657272_100000763818 [1,1,0,0,0,0|1,0,0]=3 4064 B13R1.2431 CNC(=O)c1cc(ccc1Cl)SC 11a_106832991635_100000212015 [1,1,0,0,0,0|1,1,0]=4 4065 B13R1.2431 CNC(=O)c1cc(ccc1Cl)SC 1626a_100102657272_100000212015 [1,1,0,0,0,0|1,1,0]=4 4066 B13R1.2431 CNC(=O)c1cc(ccc1Cl)SC 240690a_100102657272_100000212015 [1,1,0,0,0,0|1,1,0]=4 4067 B13R1.2431 CNC(=O)c1cc(ccc1Cl)SC 527a_100102657272_100000212015 [1,1,0,0,0,0|1,1,0]=4 4068 B13R1.2431 CNC(=O)c1cc(ccc1F)NC 2230a_100000747870_200000210301 [1,1,0,0,0,0|2,0,0]=4 4069 B13R1.2431 CNC(=O)c1cc(ccc1F)NC 34a_100000747870_200000210301 [1,1,0,0,0,0|2,0,0]=4 4070 B13R1.2431 CNC(=O)c1cc(ccc1F)NC 7a_100000747870_200000210301 [1,1,0,0,0,0|2,0,0]=4 4071 B13R1.2431 CNC(=O)c1cc(ccc1F)N[13CH3] 2230a_100000747870_200025704644 [1,1,0,0,0,0|2,0,0]=4 4072 B13R1.2431 CNC(=O)c1cc(ccc1F)N[13CH3] 34a_100000747870_200025704644 [1,1,0,0,0,0|2,0,0]=4 4073 B13R1.2431 CNC(=O)c1cc(ccc1F)N[13CH3] 7a_100000747870_200025704644 [1,1,0,0,0,0|2,0,0]=4 4074 B13R1.2431 CNC(=O)c1cc(ccc1F)OC 11a_106832991635_100011217016 [1,1,0,0,0,0|1,0,0]=3 4075 B13R1.2431 CNC(=O)c1cc(ccc1F)OC 1626a_100102657272_100011217016 [1,1,0,0,0,0|1,0,0]=3 4076 B13R1.2431 CNC(=O)c1cc(ccc1F)OC 240690a_100102657272_100011217016 [1,1,0,0,0,0|1,0,0]=3 4077 B13R1.2431 CNC(=O)c1cc(ccc1F)OC 527a_100102657272_100011217016 [1,1,0,0,0,0|1,0,0]=3 4078 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 11a_106832991635_200012183283 [1,1,0,0,0,0|1,1,0]=4 4079 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 1626a_100102657272_200012183283 [1,1,0,0,0,0|1,1,0]=4 4080 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 240690a_100102657272_200012183283 [1,1,0,0,0,0|1,1,0]=4 4081 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 527a_100102657272_200012183283 [1,1,0,0,0,0|1,1,0]=4 4082 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 62a_100000155058_200000210301 [1,1,0,0,0,0|1,1,0]=4 4083 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 62a_200000210301_100000155058 [1,1,0,0,0,0|1,1,0]=4 4084 B13R1.2431 CNC(=O)c1cc(ccc1F)S[13CH3] 62a_100000155058_200025704644 [1,1,0,0,0,0|1,1,0]=4 4085 B13R1.2431 CNC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100000155058 [1,1,0,0,0,0|1,1,0]=4 4086 B13R1.2431 CNC(=O)c1cc(ccc1I)OC 11a_106832991635_100012339533 [1,1,0,0,0,0|1,0,0]=3 4087 B13R1.2431 CNC(=O)c1cc(ccc1I)OC 1626a_100102657272_100012339533 [1,1,0,0,0,0|1,0,0]=3 4088 B13R1.2431 CNC(=O)c1cc(ccc1I)OC 240690a_100102657272_100012339533 [1,1,0,0,0,0|1,0,0]=3 4089 B13R1.2431 CNC(=O)c1cc(ccc1I)OC 527a_100102657272_100012339533 [1,1,0,0,0,0|1,0,0]=3 4090 B13R1.2431 CNC(=O)c1cc(ccc1N)SC 62a_100000690504_200000210301 [1,1,0,0,0,0|1,1,0]=4 4091 B13R1.2431 CNC(=O)c1cc(ccc1N)S[13CH3] 62a_100000690504_200025704644 [1,1,0,0,0,0|1,1,0]=4 4092 B13R1.2431 CNC(=O)c1cc(ccc1O)OC 240690a_100102657272_100000211986 [1,1,0,0,0,0|1,0,0]=3 4093 B13R1.2431 CNC(=O)c1cc(ccc1O)OC 527a_100102657272_100000211986 [1,1,0,0,0,0|1,0,0]=3 4094 B13R1.2431 COC(=O)c1cc(c[nH]c1=O)SC 62a_100009816710_200000210301 [1,1,0,0,0,0|1,1,0]=4 4095 B13R1.2431 COC(=O)c1cc(c[nH]c1=O)SC 62a_200000210301_100009816710 [1,1,0,0,0,0|1,1,0]=4 4096 B13R1.2431 COC(=O)c1cc(c[nH]c1=O)S[13CH3] 62a_100009816710_200025704644 [1,1,0,0,0,0|1,1,0]=4 4097 B13R1.2431 COC(=O)c1cc(c[nH]c1=O)S[13CH3] 62a_200025704644_100009816710 [1,1,0,0,0,0|1,1,0]=4 4098 B13R1.2431 COC(=O)c1cc(ccc1Br)OC 34a_100010230369_200000210301 [1,1,0,0,0,0|0,0,0]=2 4099 B13R1.2431 COC(=O)c1cc(ccc1Br)OC 7a_100010230369_200000210301 [1,1,0,0,0,0|0,0,0]=2 4100 B13R1.2431 COC(=O)c1cc(ccc1Br)O[13CH3] 34a_100010230369_200025704644 [1,1,0,0,0,0|0,0,0]=2 4101 B13R1.2431 COC(=O)c1cc(ccc1Br)O[13CH3] 7a_100010230369_200025704644 [1,1,0,0,0,0|0,0,0]=2 4102 B13R1.2431 COC(=O)c1cc(ccc1Br)SC 62a_100012340073_200000210301 [1,1,0,0,0,0|0,1,0]=3 4103 B13R1.2431 COC(=O)c1cc(ccc1Br)SC 62a_200000210301_100012340073 [1,1,0,0,0,0|0,1,0]=3 4104 B13R1.2431 COC(=O)c1cc(ccc1Br)S[13CH3] 62a_100012340073_200025704644 [1,1,0,0,0,0|0,1,0]=3 4105 B13R1.2431 COC(=O)c1cc(ccc1Br)S[13CH3] 62a_200025704644_100012340073 [1,1,0,0,0,0|0,1,0]=3 4106 B13R1.2431 COC(=O)c1cc(ccc1C)OC 34a_100012002527_200000210301 [1,1,0,0,0,0|0,0,0]=2 4107 B13R1.2431 COC(=O)c1cc(ccc1C)OC 7a_100012002527_200000210301 [1,1,0,0,0,0|0,0,0]=2 4108 B13R1.2431 COC(=O)c1cc(ccc1C)O[13CH3] 34a_100012002527_200025704644 [1,1,0,0,0,0|0,0,0]=2 4109 B13R1.2431 COC(=O)c1cc(ccc1C)O[13CH3] 7a_100012002527_200025704644 [1,1,0,0,0,0|0,0,0]=2 4110 B13R1.2431 COC(=O)c1cc(ccc1C)SC 62a_100012360116_200000210301 [1,1,0,0,0,0|0,1,0]=3 4111 B13R1.2431 COC(=O)c1cc(ccc1C)SC 62a_200000210301_100012360116 [1,1,0,0,0,0|0,1,0]=3 4112 B13R1.2431 COC(=O)c1cc(ccc1C)S[13CH3] 62a_100012360116_200025704644 [1,1,0,0,0,0|0,1,0]=3 4113 B13R1.2431 COC(=O)c1cc(ccc1C)S[13CH3] 62a_200025704644_100012360116 [1,1,0,0,0,0|0,1,0]=3 4114 B13R1.2431 COC(=O)c1cc(ccc1Cl)OC 34a_100012001761_200000210301 [1,1,0,0,0,0|0,0,0]=2 4115 B13R1.2431 COC(=O)c1cc(ccc1Cl)OC 7a_100012001761_200000210301 [1,1,0,0,0,0|0,0,0]=2 4116 B13R1.2431 COC(=O)c1cc(ccc1Cl)O[13CH3] 34a_100012001761_200025704644 [1,1,0,0,0,0|0,0,0]=2 4117 B13R1.2431 COC(=O)c1cc(ccc1Cl)O[13CH3] 7a_100012001761_200025704644 [1,1,0,0,0,0|0,0,0]=2 4118 B13R1.2431 COC(=O)c1cc(ccc1Cl)SC 62a_100012353682_200000210301 [1,1,0,0,0,0|0,1,0]=3 4119 B13R1.2431 COC(=O)c1cc(ccc1Cl)SC 62a_200000210301_100012353682 [1,1,0,0,0,0|0,1,0]=3 4120 B13R1.2431 COC(=O)c1cc(ccc1Cl)S[13CH3] 62a_100012353682_200025704644 [1,1,0,0,0,0|0,1,0]=3 4121 B13R1.2431 COC(=O)c1cc(ccc1Cl)S[13CH3] 62a_200025704644_100012353682 [1,1,0,0,0,0|0,1,0]=3 4122 B13R1.2431 COC(=O)c1cc(ccc1F)OC 34a_100009856154_200000210301 [1,1,0,0,0,0|0,0,0]=2 4123 B13R1.2431 COC(=O)c1cc(ccc1F)OC 7a_100009856154_200000210301 [1,1,0,0,0,0|0,0,0]=2 4124 B13R1.2431 COC(=O)c1cc(ccc1F)O[13CH3] 34a_100009856154_200025704644 [1,1,0,0,0,0|0,0,0]=2 4125 B13R1.2431 COC(=O)c1cc(ccc1F)O[13CH3] 7a_100009856154_200025704644 [1,1,0,0,0,0|0,0,0]=2 4126 B13R1.2431 COC(=O)c1cc(ccc1F)SC 62a_100000216675_200000210301 [1,1,0,0,0,0|0,1,0]=3 4127 B13R1.2431 COC(=O)c1cc(ccc1F)SC 62a_200000210301_100000216675 [1,1,0,0,0,0|0,1,0]=3 4128 B13R1.2431 COC(=O)c1cc(ccc1F)S[13CH3] 62a_100000216675_200025704644 [1,1,0,0,0,0|0,1,0]=3 4129 B13R1.2431 COC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100000216675 [1,1,0,0,0,0|0,1,0]=3 4130 B13R1.2431 COC(=O)c1cc(ccc1I)OC 34a_200009888904_200000210301 [1,1,0,0,0,0|0,0,0]=2 4131 B13R1.2431 COC(=O)c1cc(ccc1I)OC 7a_200009888904_200000210301 [1,1,0,0,0,0|0,0,0]=2 4132 B13R1.2431 COC(=O)c1cc(ccc1I)O[13CH3] 34a_200009888904_200025704644 [1,1,0,0,0,0|0,0,0]=2 4133 B13R1.2431 COC(=O)c1cc(ccc1I)O[13CH3] 7a_200009888904_200025704644 [1,1,0,0,0,0|0,0,0]=2 4134 B13R1.2431 COC(=O)c1cc(ccc1N)OC 34a_100000694981_200000210301 [1,1,0,0,0,0|0,0,0]=2 4135 B13R1.2431 COC(=O)c1cc(ccc1N)OC 7a_100000694981_200000210301 [1,1,0,0,0,0|0,0,0]=2 4136 B13R1.2431 COC(=O)c1cc(ccc1N)O[13CH3] 34a_100000694981_200025704644 [1,1,0,0,0,0|0,0,0]=2 4137 B13R1.2431 COC(=O)c1cc(ccc1N)O[13CH3] 7a_100000694981_200025704644 [1,1,0,0,0,0|0,0,0]=2 4138 B13R1.2431 COC(=O)c1cc(ccc1N)SC 62a_100000212070_200000210301 [1,1,0,0,0,0|0,1,0]=3 4139 B13R1.2431 COC(=O)c1cc(ccc1N)S[13CH3] 62a_100000212070_200025704644 [1,1,0,0,0,0|0,1,0]=3 4140 B13R1.2431 COC(=O)c1cc(ccc1O)C#N 271570a_203496583355_100009817095 [1,1,0,0,0,0|2,0,0]=4 4141 B13R1.2431 COC(=O)c1cc(ccc1O)C=O 271570a_203496583355_100013328361 [1,1,0,0,0,0|2,0,0]=4 4142 B13R1.2431 COC(=O)c1cc(ccc1O)CN 271570a_203496583355_100016988414 [1,1,0,0,0,0|2,0,0]=4 4143 B13R1.2431 COC(=O)c1cc(ccc1O)OC 271570a_203496583355_100000151459 [1,1,0,0,0,0|0,0,0]=2 4144 B13R1.2431 COC(=O)c1cc(ccc1O)SC 62a_200000210301_100000149868 [1,1,0,0,0,0|0,1,0]=3 4145 B13R1.2431 COC(=O)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000149868 [1,1,0,0,0,0|0,1,0]=3 4146 B13R1.2431 COC(=O)c1cc(cnc1C)SC 62a_100010180201_200000210301 [1,1,0,0,0,0|1,1,0]=4 4147 B13R1.2431 COC(=O)c1cc(cnc1C)SC 62a_200000210301_100010180201 [1,1,0,0,0,0|1,1,0]=4 4148 B13R1.2431 COC(=O)c1cc(cnc1C)S[13CH3] 62a_100010180201_200025704644 [1,1,0,0,0,0|1,1,0]=4 4149 B13R1.2431 COC(=O)c1cc(cnc1C)S[13CH3] 62a_200025704644_100010180201 [1,1,0,0,0,0|1,1,0]=4 4150 B13R1.2431 COC(=O)c1cc(cnc1Cl)SC 62a_200000210301_100010171060 [1,1,0,0,0,0|1,1,0]=4 4151 B13R1.2431 COC(=O)c1cc(cnc1Cl)S[13CH3] 62a_200025704644_100010171060 [1,1,0,0,0,0|1,1,0]=4 4152 B13R1.2431 COC(=O)c1cc(cnc1F)SC 62a_100010243567_200000210301 [1,1,0,0,0,0|1,1,0]=4 4153 B13R1.2431 COC(=O)c1cc(cnc1F)SC 62a_200000210301_100010243567 [1,1,0,0,0,0|1,1,0]=4 4154 B13R1.2431 COC(=O)c1cc(cnc1F)S[13CH3] 62a_100010243567_200025704644 [1,1,0,0,0,0|1,1,0]=4 4155 B13R1.2431 COC(=O)c1cc(cnc1F)S[13CH3] 62a_200025704644_100010243567 [1,1,0,0,0,0|1,1,0]=4 4156 B13R1.2431 COC(=O)c1cc(cnc1N)SC 62a_100009816750_200000210301 [1,1,0,0,0,0|1,1,0]=4 4157 B13R1.2431 COC(=O)c1cc(cnc1N)SC 62a_200000210301_100009816750 [1,1,0,0,0,0|1,1,0]=4 4158 B13R1.2431 COC(=O)c1cc(cnc1N)S[13CH3] 62a_100009816750_200025704644 [1,1,0,0,0,0|1,1,0]=4 4159 B13R1.2431 COC(=O)c1cc(cnc1N)S[13CH3] 62a_200025704644_100009816750 [1,1,0,0,0,0|1,1,0]=4 4160 B13R1.2431 COC(=O)c1cc(ncc1C)SC 62a_100009858526_200000210301 [1,1,0,0,0,0|1,1,0]=4 4161 B13R1.2431 COC(=O)c1cc(ncc1C)SC 62a_200000210301_100009858526 [1,1,0,0,0,0|1,1,0]=4 4162 B13R1.2431 COC(=O)c1cc(ncc1C)S[13CH3] 62a_100009858526_200025704644 [1,1,0,0,0,0|1,1,0]=4 4163 B13R1.2431 COC(=O)c1cc(ncc1C)S[13CH3] 62a_200025704644_100009858526 [1,1,0,0,0,0|1,1,0]=4 4164 B13R1.2431 COC(=O)c1cc(ncc1F)SC 62a_100010218257_200000210301 [1,1,0,0,0,0|1,1,0]=4 4165 B13R1.2431 COC(=O)c1cc(ncc1F)SC 62a_200000210301_100010218257 [1,1,0,0,0,0|1,1,0]=4 4166 B13R1.2431 COC(=O)c1cc(ncc1F)S[13CH3] 62a_100010218257_200025704644 [1,1,0,0,0,0|1,1,0]=4 4167 B13R1.2431 COC(=O)c1cc(ncc1F)S[13CH3] 62a_200025704644_100010218257 [1,1,0,0,0,0|1,1,0]=4 4168 B13R1.2431 COC(=O)c1cc(ncc1N)SC 62a_100012180746_200000210301 [1,1,0,0,0,0|1,1,0]=4 4169 B13R1.2431 COC(=O)c1cc(ncc1N)SC 62a_200000210301_100012180746 [1,1,0,0,0,0|1,1,0]=4 4170 B13R1.2431 COC(=O)c1cc(ncc1N)S[13CH3] 62a_100012180746_200025704644 [1,1,0,0,0,0|1,1,0]=4 4171 B13R1.2431 COC(=O)c1cc(ncc1N)S[13CH3] 62a_200025704644_100012180746 [1,1,0,0,0,0|1,1,0]=4 4172 B13R1.2431 COC(=O)c1cc(ncc1O)OC 271570a_203496583355_100010178712 [1,1,0,0,0,0|1,0,0]=3 4173 B13R1.2431 COC(=O)c1cc(ncc1O)SC 62a_100010136202_200000210301 [1,1,0,0,0,0|1,1,0]=4 4174 B13R1.2431 COC(=O)c1cc(ncc1O)SC 62a_200000210301_100010136202 [1,1,0,0,0,0|1,1,0]=4 4175 B13R1.2431 COC(=O)c1cc(ncc1O)S[13CH3] 62a_100010136202_200025704644 [1,1,0,0,0,0|1,1,0]=4 4176 B13R1.2431 COC(=O)c1cc(ncc1O)S[13CH3] 62a_200025704644_100010136202 [1,1,0,0,0,0|1,1,0]=4 4177 B13R1.2431 COC(=O)c1nc(ccc1C)SC 62a_100000117997_200000210301 [1,1,0,0,0,0|1,1,0]=4 4178 B13R1.2431 COC(=O)c1nc(ccc1C)SC 62a_200000210301_100000117997 [1,1,0,0,0,0|1,1,0]=4 4179 B13R1.2431 COC(=O)c1nc(ccc1C)S[13CH3] 62a_100000117997_200025704644 [1,1,0,0,0,0|1,1,0]=4 4180 B13R1.2431 COC(=O)c1nc(ccc1C)S[13CH3] 62a_200025704644_100000117997 [1,1,0,0,0,0|1,1,0]=4 4181 B13R1.2431 COC(=O)c1nc(ccc1F)SC 62a_100000697719_200000210301 [1,1,0,0,0,0|1,1,0]=4 4182 B13R1.2431 COC(=O)c1nc(ccc1F)SC 62a_200000210301_100000697719 [1,1,0,0,0,0|1,1,0]=4 4183 B13R1.2431 COC(=O)c1nc(ccc1F)S[13CH3] 62a_100000697719_200025704644 [1,1,0,0,0,0|1,1,0]=4 4184 B13R1.2431 COC(=O)c1nc(ccc1F)S[13CH3] 62a_200025704644_100000697719 [1,1,0,0,0,0|1,1,0]=4 4185 B13R1.2431 COC(=O)c1nc(ccc1N)SC 62a_100009860768_200000210301 [1,1,0,0,0,0|1,1,0]=4 4186 B13R1.2431 COC(=O)c1nc(ccc1N)S[13CH3] 62a_100009860768_200025704644 [1,1,0,0,0,0|1,1,0]=4 4187 B13R1.2431 COC(=O)c1nc(ccc1O)OC 271570a_203496583355_100010189643 [1,1,0,0,0,0|1,0,0]=3 4188 B13R1.2431 COC(=O)c1nc(ccc1O)SC 62a_200000210301_100000697862 [1,1,0,0,0,0|1,1,0]=4 4189 B13R1.2431 COC(=O)c1nc(ccc1O)S[13CH3] 62a_200025704644_100000697862 [1,1,0,0,0,0|1,1,0]=4 4190 B13R1.2431 COc1ccc(c(c1)C(=O)CF)Br 1458a_100000211723_100015361967 [1,1,0,0,0,0|2,0,0]=4 4191 B13R1.2431 COc1ccc(c(c1)C(=O)CF)C 1458a_100011399813_100015361967 [1,1,0,0,0,0|2,0,0]=4 4192 B13R1.2431 COc1ccc(c(c1)C(=O)CF)Cl 1458a_100000763818_100015361967 [1,1,0,0,0,0|2,0,0]=4 4193 B13R1.2431 COc1ccc(c(c1)C(=O)CF)F 1458a_100011217016_100015361967 [1,1,0,0,0,0|2,0,0]=4 4194 B13R1.2431 COc1ccc(c(c1)C(=O)CF)I 1458a_100012339533_100015361967 [1,1,0,0,0,0|2,0,0]=4 4195 B13R1.2431 COc1ccc(c(c1)C(=O)CF)O 1458a_100000211986_100015361967 [1,1,0,0,0,0|2,0,0]=4 4196 B13R1.2431 COc1ccc(c(c1)C(=O)NN)O 271570a_203496583355_100000189949 [1,1,0,0,0,0|2,0,0]=4 4197 B13R1.3040 CNS(=O)(=O)c1cccc(c1)OC 270084a_100102657272_100000750905 [1,1,0,0,0,0|2,0,0]=4 4198 B13R1.3040 CNS(=O)(=O)c1cccc(c1)OC 274078a_100102657272_100000750905 [1,1,0,0,0,0|2,0,0]=4 4199 B13R1.3040 CNS(=O)(=O)c1cccc(c1)OC 40a_100102657272_200010300420 [1,1,0,0,0,0|2,0,0]=4 4200 B13R1.2067 C=Cc1cc(sc1OC)C(=O)OC 271570a_100011290941_100134754287 [0,1,0,0,1,0|2,0,0]=4 4201 B13R1.2067 COC(=O)c1cc(c(s1)OC)SC 62a_100134754287_200000210301 [0,1,0,0,1,0|1,1,0]=4 4202 B13R1.2067 COC(=O)c1cc(c(s1)OC)SC 62a_200000210301_100134754287 [0,1,0,0,1,0|1,1,0]=4 4203 B13R1.2067 COC(=O)c1cc(c(s1)OC)S[13CH3] 62a_100134754287_200025704644 [0,1,0,0,1,0|1,1,0]=4 4204 B13R1.2067 COC(=O)c1cc(c(s1)OC)S[13CH3] 62a_200025704644_100134754287 [0,1,0,0,1,0|1,1,0]=4 4205 B13R1.3099 C=Cc1csc(c1OC)C(=O)OC 271570a_100011290941_200009814288 [0,1,0,0,1,0|2,0,0]=4 4206 B13R1.3099 C=Cc1scc(c1OC)C(=O)OC 271570a_100011290941_100010277438 [0,1,0,0,1,0|2,0,0]=4 4207 B13R1.3099 COC(=O)c1csc(c1OC)SC 62a_200000210301_100010277438 [0,1,0,0,1,0|1,1,0]=4 4208 B13R1.3099 COC(=O)c1csc(c1OC)S[13CH3] 62a_200025704644_100010277438 [0,1,0,0,1,0|1,1,0]=4 4209 B13R1.3901 CCOc1c(csc1C(=O)OC)Br 34a_100009812821_100000210202 [0,1,0,0,1,0|2,0,0]=4 4210 B13R1.3901 CCOc1c(csc1C(=O)OC)Cl 34a_200009884760_100000210202 [0,1,0,0,1,0|2,0,0]=4 4211 B13R1.3901 CCOc1c(csc1C(=O)OC)Cl 7a_200009884760_100000210202 [0,1,0,0,1,0|2,0,0]=4 4212 B13R1.3901 COC(=O)c1scc(c1OCF)Br 34a_100009812821_100015361967 [0,1,0,0,1,0|2,0,0]=4 4213 B13R1.3901 COC(=O)c1scc(c1OCF)Cl 34a_200009884760_100015361967 [0,1,0,0,1,0|2,0,0]=4 4214 B13R1.3901 COC(=O)c1scc(c1OCF)Cl 7a_200009884760_100015361967 [0,1,0,0,1,0|2,0,0]=4 4215 B13R1.7029 COC(=O)c1sc(c(c1OC)C)C 34a_100009884762_200000210301 [0,1,0,0,1,0|2,0,0]=4 4216 B13R1.7029 COC(=O)c1sc(c(c1O[13CH3])C)C 34a_100009884762_200025704644 [0,1,0,0,1,0|2,0,0]=4 4217 B15R1.371 CCC(=O)Cc1cc(c(c(c1)OC)O)Br 1458a_100009814412_100000210202 [0,1,0,0,0,1|1,0,0]=3 4218 B15R1.371 CCC(=O)Nc1cc(c(c(c1)OC)Cl)Br 11a_100010131419_100000210414 [0,1,0,0,0,1|2,0,0]=4 4219 B15R1.371 CCC(=O)Nc1cc(c(c(c1)OC)Cl)Br 1626a_100010131419_100000210414 [0,1,0,0,0,1|2,0,0]=4 4220 B15R1.371 CCC(=O)Nc1cc(c(c(c1)OC)Cl)Br 22a_100010131419_100000210414 [0,1,0,0,0,1|2,0,0]=4 4221 B15R1.371 CCC(=O)Nc1cc(c(c(c1)OC)Cl)Br 527a_100010131419_100000210414 [0,1,0,0,0,1|2,0,0]=4 4222 B15R1.371 CNC(=O)Cc1cc(c(c(c1)OC)O)Br 240690a_100102657272_100009814412 [0,1,0,0,0,1|1,0,0]=3 4223 B15R1.371 CNC(=O)Cc1cc(c(c(c1)OC)O)Br 527a_100102657272_100009814412 [0,1,0,0,0,1|1,0,0]=3 4224 B15R1.371 CNC(=O)Nc1cc(c(c(c1)OC)Cl)Br 2430a_100010131419_100102657272 [0,1,0,0,0,1|2,0,0]=4 4225 B15R1.371 CNC(=O)Nc1cc(c(c(c1)OC)Cl)Br 512a_100010131419_100102657272 [0,1,0,0,0,1|2,0,0]=4 4226 B15R1.371 COc1cc(cc(c1O)Br)CC(=O)CF 1458a_100009814412_100015361967 [0,1,0,0,0,1|2,0,0]=4 4227 B15R1.371 COc1cc(cc(c1O)O)SC(C)OC 62a_100009879195_200159242197 [0,1,0,0,0,1|1,0,1]=4 4228 B15R1.1277 C#CCC(=O)Cc1ccc(c(c1)OC)O 1458a_100000032101_100000184674 [0,1,0,0,0,1|1,0,1]=4 4229 B15R1.1277 C#CCC(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100011220946 [0,1,0,0,0,1|1,0,1]=4 4230 B15R1.1277 C=CCC(=O)Cc1ccc(c(c1)OC)O 1458a_100000032101_100000210623 [0,1,0,0,0,1|1,0,1]=4 4231 B15R1.1277 C=CCC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000210193 [0,1,0,0,0,1|1,0,1]=4 4232 B15R1.1277 C=CCC(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100000210193 [0,1,0,0,0,1|1,0,1]=4 4233 B15R1.1277 C=Cc1cc(ccc1O)CC(=O)OCC 271570a_100011290941_100010222481 [0,1,0,0,0,1|1,0,1]=4 4234 B15R1.1277 CC#CC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000763181_100010110085 [0,1,0,0,0,1|2,0,0]=4 4235 B15R1.1277 CC#CC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000763181_200010214485 [0,1,0,0,0,1|2,0,0]=4 4236 B15R1.1277 CC#CC(=O)Cc1ccc(c(c1)OC)F 1458a_100000763181_100012349856 [0,1,0,0,0,1|2,0,0]=4 4237 B15R1.1277 CC#CC(=O)Nc1ccc(c(c1)OC)Br 22a_100000765947_100000763181 [0,1,0,0,0,1|2,0,0]=4 4238 B15R1.1277 CC#CC(=O)Nc1ccc(c(c1)OC)C 22a_100011279678_100000763181 [0,1,0,0,0,1|2,0,0]=4 4239 B15R1.1277 CC#CC(=O)Nc1ccc(c(c1)OC)Cl 22a_100000742311_100000763181 [0,1,0,0,0,1|2,0,0]=4 4240 B15R1.1277 CC#CC(=O)Nc1ccc(c(c1)OC)F 22a_100000701188_100000763181 [0,1,0,0,0,1|2,0,0]=4 4241 B15R1.1277 CC#CC(=O)Nc1ccc(c(c1)OC)I 22a_100000746945_100000763181 [0,1,0,0,0,1|2,0,0]=4 4242 B15R1.1277 CC#CC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000763181 [0,1,0,0,0,1|1,0,0]=3 4243 B15R1.1277 CC=CC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000210699_100010110085 [0,1,0,0,0,1|2,0,0]=4 4244 B15R1.1277 CC=CC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000210699_200010214485 [0,1,0,0,0,1|2,0,0]=4 4245 B15R1.1277 CC=CC(=O)Cc1ccc(c(c1)OC)F 1458a_100000210699_100012349856 [0,1,0,0,0,1|2,0,0]=4 4246 B15R1.1277 CC=CC(=O)Nc1ccc(c(c1)OC)Br 11a_100000765947_100000210699 [0,1,0,0,0,1|2,0,0]=4 4247 B15R1.1277 CC=CC(=O)Nc1ccc(c(c1)OC)Br 1626a_100000765947_100000210699 [0,1,0,0,0,1|2,0,0]=4 4248 B15R1.1277 CC=CC(=O)Nc1ccc(c(c1)OC)Br 22a_100000765947_100000210699 [0,1,0,0,0,1|2,0,0]=4 4249 B15R1.1277 CC=CC(=O)Nc1ccc(c(c1)OC)C 11a_100011279678_100000210699 [0,1,0,0,0,1|2,0,0]=4 4250 B15R1.1277 CC=CC(=O)Nc1ccc(c(c1)OC)C 1626a_100011279678_100000210699 [0,1,0,0,0,1|2,0,0]=4 4251 B15R1.1277 CC=CC(=O)Nc1ccc(c(c1)OC)C 22a_100011279678_100000210699 [0,1,0,0,0,1|2,0,0]=4 4252 B15R1.1277 CC=CC(=O)Nc1ccc(c(c1)OC)Cl 11a_100000742311_100000210699 [0,1,0,0,0,1|2,0,0]=4 4253 B15R1.1277 CC=CC(=O)Nc1ccc(c(c1)OC)Cl 1626a_100000742311_100000210699 [0,1,0,0,0,1|2,0,0]=4 4254 B15R1.1277 CC=CC(=O)Nc1ccc(c(c1)OC)Cl 22a_100000742311_100000210699 [0,1,0,0,0,1|2,0,0]=4 4255 B15R1.1277 CC=CC(=O)Nc1ccc(c(c1)OC)F 11a_100000701188_100000210699 [0,1,0,0,0,1|2,0,0]=4 4256 B15R1.1277 CC=CC(=O)Nc1ccc(c(c1)OC)F 1626a_100000701188_100000210699 [0,1,0,0,0,1|2,0,0]=4 4257 B15R1.1277 CC=CC(=O)Nc1ccc(c(c1)OC)F 22a_100000701188_100000210699 [0,1,0,0,0,1|2,0,0]=4 4258 B15R1.1277 CC=CC(=O)Nc1ccc(c(c1)OC)I 11a_100000746945_100000210699 [0,1,0,0,0,1|2,0,0]=4 4259 B15R1.1277 CC=CC(=O)Nc1ccc(c(c1)OC)I 1626a_100000746945_100000210699 [0,1,0,0,0,1|2,0,0]=4 4260 B15R1.1277 CC=CC(=O)Nc1ccc(c(c1)OC)I 22a_100000746945_100000210699 [0,1,0,0,0,1|2,0,0]=4 4261 B15R1.1277 CC=CC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000210699 [0,1,0,0,0,1|1,0,0]=3 4262 B15R1.1277 CCCC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000211992_100010110085 [0,1,0,0,0,1|2,0,0]=4 4263 B15R1.1277 CCCC(=O)Cc1ccc(c(c1)OC)Br 1458a_200010002685_100000210303 [0,1,0,0,0,1|2,0,0]=4 4264 B15R1.1277 CCCC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000211992_200010214485 [0,1,0,0,0,1|2,0,0]=4 4265 B15R1.1277 CCCC(=O)Cc1ccc(c(c1)OC)F 1458a_100000117344_100000210303 [0,1,0,0,0,1|2,0,0]=4 4266 B15R1.1277 CCCC(=O)Cc1ccc(c(c1)OC)F 1458a_100000211992_100012349856 [0,1,0,0,0,1|2,0,0]=4 4267 B15R1.1277 CCCC(=O)Cc1ccc(c(c1)OC)O 1458a_100000032101_100000210303 [0,1,0,0,0,1|1,0,0]=3 4268 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)Br 11a_100000765947_100000211992 [0,1,0,0,0,1|2,0,0]=4 4269 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)Br 1626a_100000765947_100000211992 [0,1,0,0,0,1|2,0,0]=4 4270 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)Br 22a_100000765947_100000211992 [0,1,0,0,0,1|2,0,0]=4 4271 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)Br 527a_100000765947_100000211992 [0,1,0,0,0,1|2,0,0]=4 4272 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)C 11a_100011279678_100000211992 [0,1,0,0,0,1|2,0,0]=4 4273 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)C 1626a_100011279678_100000211992 [0,1,0,0,0,1|2,0,0]=4 4274 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)C 22a_100011279678_100000211992 [0,1,0,0,0,1|2,0,0]=4 4275 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)C 527a_100011279678_100000211992 [0,1,0,0,0,1|2,0,0]=4 4276 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)Cl 11a_100000742311_100000211992 [0,1,0,0,0,1|2,0,0]=4 4277 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)Cl 1626a_100000742311_100000211992 [0,1,0,0,0,1|2,0,0]=4 4278 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)Cl 22a_100000742311_100000211992 [0,1,0,0,0,1|2,0,0]=4 4279 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)Cl 527a_100000742311_100000211992 [0,1,0,0,0,1|2,0,0]=4 4280 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)F 11a_100000701188_100000211992 [0,1,0,0,0,1|2,0,0]=4 4281 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)F 1626a_100000701188_100000211992 [0,1,0,0,0,1|2,0,0]=4 4282 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)F 22a_100000701188_100000211992 [0,1,0,0,0,1|2,0,0]=4 4283 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)F 527a_100000701188_100000211992 [0,1,0,0,0,1|2,0,0]=4 4284 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)I 11a_100000746945_100000211992 [0,1,0,0,0,1|2,0,0]=4 4285 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)I 1626a_100000746945_100000211992 [0,1,0,0,0,1|2,0,0]=4 4286 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)I 22a_100000746945_100000211992 [0,1,0,0,0,1|2,0,0]=4 4287 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)I 527a_100000746945_100000211992 [0,1,0,0,0,1|2,0,0]=4 4288 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000211992 [0,1,0,0,0,1|1,0,0]=3 4289 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100000211992 [0,1,0,0,0,1|1,0,0]=3 4290 B15R1.1277 CCNC(=O)Cc1ccc(c(c1)OC)Br 11a_100015525214_200010002685 [0,1,0,0,0,1|2,0,0]=4 4291 B15R1.1277 CCNC(=O)Cc1ccc(c(c1)OC)Br 240690a_100015525214_200010002685 [0,1,0,0,0,1|2,0,0]=4 4292 B15R1.1277 CCNC(=O)Cc1ccc(c(c1)OC)Br 527a_100015525214_200010002685 [0,1,0,0,0,1|2,0,0]=4 4293 B15R1.1277 CCNC(=O)Cc1ccc(c(c1)OC)F 11a_100015525214_100000117344 [0,1,0,0,0,1|2,0,0]=4 4294 B15R1.1277 CCNC(=O)Cc1ccc(c(c1)OC)F 240690a_100015525214_100000117344 [0,1,0,0,0,1|2,0,0]=4 4295 B15R1.1277 CCNC(=O)Cc1ccc(c(c1)OC)F 527a_100015525214_100000117344 [0,1,0,0,0,1|2,0,0]=4 4296 B15R1.1277 CCNC(=O)Cc1ccc(c(c1)OC)O 240690a_100015525214_100000032101 [0,1,0,0,0,1|1,0,0]=3 4297 B15R1.1277 CCNC(=O)Cc1ccc(c(c1)OC)O 527a_100015525214_100000032101 [0,1,0,0,0,1|1,0,0]=3 4298 B15R1.1277 CCNC(=O)Nc1ccc(c(c1)OC)Br 2430a_100000765947_100015525214 [0,1,0,0,0,1|2,0,0]=4 4299 B15R1.1277 CCNC(=O)Nc1ccc(c(c1)OC)C 2430a_100011279678_100015525214 [0,1,0,0,0,1|2,0,0]=4 4300 B15R1.1277 CCNC(=O)Nc1ccc(c(c1)OC)C 512a_100011279678_100015525214 [0,1,0,0,0,1|2,0,0]=4 4301 B15R1.1277 CCNC(=O)Nc1ccc(c(c1)OC)Cl 2430a_100000742311_100015525214 [0,1,0,0,0,1|2,0,0]=4 4302 B15R1.1277 CCNC(=O)Nc1ccc(c(c1)OC)F 2430a_100000701188_100015525214 [0,1,0,0,0,1|2,0,0]=4 4303 B15R1.1277 CCNC(=O)Nc1ccc(c(c1)OC)F 512a_100000701188_100015525214 [0,1,0,0,0,1|2,0,0]=4 4304 B15R1.1277 CCNC(=O)Nc1ccc(c(c1)OC)I 2430a_100000746945_100015525214 [0,1,0,0,0,1|2,0,0]=4 4305 B15R1.1277 CCNC(=O)Nc1ccc(c(c1)OC)I 512a_100000746945_100015525214 [0,1,0,0,0,1|2,0,0]=4 4306 B15R1.1277 CCNC(=O)Nc1ccc(c(c1)OC)O 2430a_100000726020_100015525214 [0,1,0,0,0,1|1,0,0]=3 4307 B15R1.1277 CCOC(=O)Cc1ccc(c(c1)SC)C 62a_200000210301_200010149176 [0,1,0,0,0,1|1,1,0]=4 4308 B15R1.1277 CCOC(=O)Cc1ccc(c(c1)SC)C 62a_200010149176_200000210301 [0,1,0,0,0,1|1,1,0]=4 4309 B15R1.1277 CCOC(=O)Cc1ccc(c(c1)SC)N 62a_200000210301_200010232156 [0,1,0,0,0,1|1,1,0]=4 4310 B15R1.1277 CCOC(=O)Cc1ccc(c(c1)SC)N 62a_200010232156_200000210301 [0,1,0,0,0,1|1,1,0]=4 4311 B15R1.1277 CCOC(=O)Cc1ccc(c(c1)SC)O 62a_100010222481_200000210301 [0,1,0,0,0,1|0,1,0]=3 4312 B15R1.1277 CCOC(=O)Cc1ccc(c(c1)SC)O 62a_200000210301_100010222481 [0,1,0,0,0,1|0,1,0]=3 4313 B15R1.1277 CCOC(=O)Cc1ccc(c(c1)S[13CH3])C 62a_200010149176_200025704644 [0,1,0,0,0,1|1,1,0]=4 4314 B15R1.1277 CCOC(=O)Cc1ccc(c(c1)S[13CH3])C 62a_200025704644_200010149176 [0,1,0,0,0,1|1,1,0]=4 4315 B15R1.1277 CCOC(=O)Cc1ccc(c(c1)S[13CH3])N 62a_200010232156_200025704644 [0,1,0,0,0,1|1,1,0]=4 4316 B15R1.1277 CCOC(=O)Cc1ccc(c(c1)S[13CH3])N 62a_200025704644_200010232156 [0,1,0,0,0,1|1,1,0]=4 4317 B15R1.1277 CCOC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010222481_200025704644 [0,1,0,0,0,1|0,1,0]=3 4318 B15R1.1277 CCOC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010222481 [0,1,0,0,0,1|0,1,0]=3 4319 B15R1.1277 CCc1cc(ccc1Br)NC(=O)COC 11a_100010109747_100000210968 [0,1,0,0,0,1|2,0,0]=4 4320 B15R1.1277 CCc1cc(ccc1Br)NC(=O)COC 1626a_100010109747_100000210968 [0,1,0,0,0,1|2,0,0]=4 4321 B15R1.1277 CCc1cc(ccc1Br)NC(=O)COC 22a_100010109747_100000210968 [0,1,0,0,0,1|2,0,0]=4 4322 B15R1.1277 CCc1cc(ccc1Br)NC(=O)COC 527a_100010109747_100000210968 [0,1,0,0,0,1|2,0,0]=4 4323 B15R1.1277 CNCC(=O)Nc1ccc(c(c1)OC)Cl 2230a_106832991635_100011203113 [0,1,0,0,0,1|2,0,0]=4 4324 B15R1.1277 CNCC(=O)Nc1ccc(c(c1)OC)Cl 34a_100102657272_100011203113 [0,1,0,0,0,1|2,0,0]=4 4325 B15R1.1277 CNCC(=O)Nc1ccc(c(c1)OC)Cl 7a_106832991635_100011203113 [0,1,0,0,0,1|2,0,0]=4 4326 B15R1.1277 CNNC(=O)Cc1ccc(c(c1)OC)Br 22a_100016993582_200010002685 [0,1,0,0,0,1|2,0,0]=4 4327 B15R1.1277 CNNC(=O)Cc1ccc(c(c1)OC)F 22a_100016993582_100000117344 [0,1,0,0,0,1|2,0,0]=4 4328 B15R1.1277 CNNC(=O)Cc1ccc(c(c1)OC)O 22a_100016993582_100000032101 [0,1,0,0,0,1|1,0,0]=3 4329 B15R1.1277 CNNC(=O)Nc1ccc(c(c1)OC)C 512a_100011279678_100016993582 [0,1,0,0,0,1|2,0,0]=4 4330 B15R1.1277 CNNC(=O)Nc1ccc(c(c1)OC)F 512a_100000701188_100016993582 [0,1,0,0,0,1|2,0,0]=4 4331 B15R1.1277 CNNC(=O)Nc1ccc(c(c1)OC)I 512a_100000746945_100016993582 [0,1,0,0,0,1|2,0,0]=4 4332 B15R1.1277 CNc1cc(ccc1C)NC(=O)COC 34a_200011203084_200000210301 [0,1,0,0,0,1|2,0,0]=4 4333 B15R1.1277 CNc1cc(ccc1C)NC(=O)COC 7a_200011203084_200000210301 [0,1,0,0,0,1|2,0,0]=4 4334 B15R1.1277 CNc1cc(ccc1Cl)NC(=O)COC 34a_100011193636_200000210301 [0,1,0,0,0,1|2,0,0]=4 4335 B15R1.1277 COCC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000210968_100010110085 [0,1,0,0,0,1|1,0,0]=3 4336 B15R1.1277 COCC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000210968_200010214485 [0,1,0,0,0,1|1,0,0]=3 4337 B15R1.1277 COCC(=O)Cc1ccc(c(c1)OC)F 1458a_100000210968_100012349856 [0,1,0,0,0,1|1,0,0]=3 4338 B15R1.1277 COCC(=O)Cc1ccc(c(n1)OC)Br 1458a_100000210968_200010066506 [0,1,0,0,0,1|2,0,0]=4 4339 B15R1.1277 COCC(=O)Nc1ccc(c(c1)C#N)O 22a_100011249283_100000210968 [0,1,0,0,0,1|2,0,0]=4 4340 B15R1.1277 COCC(=O)Nc1ccc(c(c1)C#N)O 527a_100011249283_100000210968 [0,1,0,0,0,1|2,0,0]=4 4341 B15R1.1277 COCC(=O)Nc1ccc(c(c1)N[13CH3])C 34a_200011203084_200025704644 [0,1,0,0,0,1|2,0,0]=4 4342 B15R1.1277 COCC(=O)Nc1ccc(c(c1)N[13CH3])C 7a_200011203084_200025704644 [0,1,0,0,0,1|2,0,0]=4 4343 B15R1.1277 COCC(=O)Nc1ccc(c(c1)N[13CH3])Cl 34a_100011193636_200025704644 [0,1,0,0,0,1|2,0,0]=4 4344 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)Br 11a_100000765947_100000210968 [0,1,0,0,0,1|1,0,0]=3 4345 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)Br 1626a_100000765947_100000210968 [0,1,0,0,0,1|1,0,0]=3 4346 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)Br 22a_100000765947_100000210968 [0,1,0,0,0,1|1,0,0]=3 4347 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)Br 527a_100000765947_100000210968 [0,1,0,0,0,1|1,0,0]=3 4348 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)C 11a_100011279678_100000210968 [0,1,0,0,0,1|1,0,0]=3 4349 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)C 1626a_100011279678_100000210968 [0,1,0,0,0,1|1,0,0]=3 4350 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)C 22a_100011279678_100000210968 [0,1,0,0,0,1|1,0,0]=3 4351 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)C 527a_100011279678_100000210968 [0,1,0,0,0,1|1,0,0]=3 4352 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)Cl 11a_100000742311_100000210968 [0,1,0,0,0,1|1,0,0]=3 4353 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)Cl 1626a_100000742311_100000210968 [0,1,0,0,0,1|1,0,0]=3 4354 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)Cl 22a_100000742311_100000210968 [0,1,0,0,0,1|1,0,0]=3 4355 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)Cl 34a_100138415774_100011203113 [0,1,0,0,0,1|1,0,0]=3 4356 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)Cl 527a_100000742311_100000210968 [0,1,0,0,0,1|1,0,0]=3 4357 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)F 11a_100000701188_100000210968 [0,1,0,0,0,1|1,0,0]=3 4358 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)F 1626a_100000701188_100000210968 [0,1,0,0,0,1|1,0,0]=3 4359 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)F 22a_100000701188_100000210968 [0,1,0,0,0,1|1,0,0]=3 4360 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)F 527a_100000701188_100000210968 [0,1,0,0,0,1|1,0,0]=3 4361 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)I 11a_100000746945_100000210968 [0,1,0,0,0,1|1,0,0]=3 4362 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)I 1626a_100000746945_100000210968 [0,1,0,0,0,1|1,0,0]=3 4363 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)I 22a_100000746945_100000210968 [0,1,0,0,0,1|1,0,0]=3 4364 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)I 527a_100000746945_100000210968 [0,1,0,0,0,1|1,0,0]=3 4365 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000210968 [0,1,0,0,0,1|0,0,0]=2 4366 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100000210968 [0,1,0,0,0,1|0,0,0]=2 4367 B15R1.1277 COCC(C)Nc1ccc(c(c1)OC)O 34a_100000726020_100000765312 [0,1,0,0,0,1|1,0,1]=4 4368 B15R1.1277 COCC(C)Sc1ccc(c(c1)OC)O 62a_100000765312_100000694246 [0,1,0,0,0,1|1,0,1]=4 4369 B15R1.1277 COc1cc(ccc1Br)CC(=O)CCF 1458a_200010002685_100011217306 [0,1,0,0,0,1|2,0,0]=4 4370 B15R1.1277 COc1cc(ccc1Br)CC(=O)CCO 1458a_100011216618_100010110085 [0,1,0,0,0,1|2,0,0]=4 4371 B15R1.1277 COc1cc(ccc1Br)CC(=O)CCO 1458a_200010002685_100000211926 [0,1,0,0,0,1|2,0,0]=4 4372 B15R1.1277 COc1cc(ccc1Br)CC(=O)CSC 1458a_100000184570_100010110085 [0,1,0,0,0,1|1,1,0]=4 4373 B15R1.1277 COc1cc(ccc1Br)NC(=O)CCO 22a_100000765947_100011216618 [0,1,0,0,0,1|2,0,0]=4 4374 B15R1.1277 COc1cc(ccc1Br)NC(=O)CSC 11a_100000765947_100000184570 [0,1,0,0,0,1|1,1,0]=4 4375 B15R1.1277 COc1cc(ccc1Br)NC(=O)CSC 1626a_100000765947_100000184570 [0,1,0,0,0,1|1,1,0]=4 4376 B15R1.1277 COc1cc(ccc1Br)NC(=O)CSC 22a_100000765947_100000184570 [0,1,0,0,0,1|1,1,0]=4 4377 B15R1.1277 COc1cc(ccc1Br)NC(=O)CSC 527a_100000765947_100000184570 [0,1,0,0,0,1|1,1,0]=4 4378 B15R1.1277 COc1cc(ccc1C)NC(=O)CCO 22a_100011279678_100011216618 [0,1,0,0,0,1|2,0,0]=4 4379 B15R1.1277 COc1cc(ccc1C)NC(=O)CSC 11a_100011279678_100000184570 [0,1,0,0,0,1|1,1,0]=4 4380 B15R1.1277 COc1cc(ccc1C)NC(=O)CSC 1626a_100011279678_100000184570 [0,1,0,0,0,1|1,1,0]=4 4381 B15R1.1277 COc1cc(ccc1C)NC(=O)CSC 22a_100011279678_100000184570 [0,1,0,0,0,1|1,1,0]=4 4382 B15R1.1277 COc1cc(ccc1C)NC(=O)CSC 527a_100011279678_100000184570 [0,1,0,0,0,1|1,1,0]=4 4383 B15R1.1277 COc1cc(ccc1Cl)CC(=O)CCO 1458a_100011216618_200010214485 [0,1,0,0,0,1|2,0,0]=4 4384 B15R1.1277 COc1cc(ccc1Cl)CC(=O)CSC 1458a_100000184570_200010214485 [0,1,0,0,0,1|1,1,0]=4 4385 B15R1.1277 COc1cc(ccc1Cl)NC(=O)CCO 22a_100000742311_100011216618 [0,1,0,0,0,1|2,0,0]=4 4386 B15R1.1277 COc1cc(ccc1Cl)NC(=O)CSC 11a_100000742311_100000184570 [0,1,0,0,0,1|1,1,0]=4 4387 B15R1.1277 COc1cc(ccc1Cl)NC(=O)CSC 1626a_100000742311_100000184570 [0,1,0,0,0,1|1,1,0]=4 4388 B15R1.1277 COc1cc(ccc1Cl)NC(=O)CSC 22a_100000742311_100000184570 [0,1,0,0,0,1|1,1,0]=4 4389 B15R1.1277 COc1cc(ccc1Cl)NC(=O)CSC 527a_100000742311_100000184570 [0,1,0,0,0,1|1,1,0]=4 4390 B15R1.1277 COc1cc(ccc1Cl)NC(=O)CSC 62a_200000210301_100011203113 [0,1,0,0,0,1|1,1,0]=4 4391 B15R1.1277 COc1cc(ccc1Cl)NC(=O)CS[13CH3] 62a_200025704644_100011203113 [0,1,0,0,0,1|1,1,0]=4 4392 B15R1.1277 COc1cc(ccc1F)CC(=O)CCF 1458a_100000117344_100011217306 [0,1,0,0,0,1|2,0,0]=4 4393 B15R1.1277 COc1cc(ccc1F)CC(=O)CCO 1458a_100000117344_100000211926 [0,1,0,0,0,1|2,0,0]=4 4394 B15R1.1277 COc1cc(ccc1F)CC(=O)CCO 1458a_100011216618_100012349856 [0,1,0,0,0,1|2,0,0]=4 4395 B15R1.1277 COc1cc(ccc1F)CC(=O)CSC 1458a_100000184570_100012349856 [0,1,0,0,0,1|1,1,0]=4 4396 B15R1.1277 COc1cc(ccc1F)NC(=O)CCO 22a_100000701188_100011216618 [0,1,0,0,0,1|2,0,0]=4 4397 B15R1.1277 COc1cc(ccc1F)NC(=O)CSC 11a_100000701188_100000184570 [0,1,0,0,0,1|1,1,0]=4 4398 B15R1.1277 COc1cc(ccc1F)NC(=O)CSC 1626a_100000701188_100000184570 [0,1,0,0,0,1|1,1,0]=4 4399 B15R1.1277 COc1cc(ccc1F)NC(=O)CSC 22a_100000701188_100000184570 [0,1,0,0,0,1|1,1,0]=4 4400 B15R1.1277 COc1cc(ccc1F)NC(=O)CSC 527a_100000701188_100000184570 [0,1,0,0,0,1|1,1,0]=4 4401 B15R1.1277 COc1cc(ccc1I)NC(=O)CCO 22a_100000746945_100011216618 [0,1,0,0,0,1|2,0,0]=4 4402 B15R1.1277 COc1cc(ccc1I)NC(=O)CSC 11a_100000746945_100000184570 [0,1,0,0,0,1|1,1,0]=4 4403 B15R1.1277 COc1cc(ccc1I)NC(=O)CSC 1626a_100000746945_100000184570 [0,1,0,0,0,1|1,1,0]=4 4404 B15R1.1277 COc1cc(ccc1I)NC(=O)CSC 22a_100000746945_100000184570 [0,1,0,0,0,1|1,1,0]=4 4405 B15R1.1277 COc1cc(ccc1I)NC(=O)CSC 527a_100000746945_100000184570 [0,1,0,0,0,1|1,1,0]=4 4406 B15R1.1277 COc1cc(ccc1O)CC(=O)CC#N 1458a_100000032101_100011214920 [0,1,0,0,0,1|1,0,1]=4 4407 B15R1.1277 COc1cc(ccc1O)CC(=O)CCF 1458a_100000032101_100011217306 [0,1,0,0,0,1|1,0,0]=3 4408 B15R1.1277 COc1cc(ccc1O)CC(=O)CCO 1458a_100000032101_100000211926 [0,1,0,0,0,1|1,0,0]=3 4409 B15R1.1277 COc1cc(ccc1O)NC(=O)CC#N 22a_100000726020_100051588842 [0,1,0,0,0,1|1,0,1]=4 4410 B15R1.1277 COc1cc(ccc1O)NC(=O)CCO 22a_100000726020_100011216618 [0,1,0,0,0,1|1,0,0]=3 4411 B15R1.1277 COc1cc(ccc1O)NC(=O)CSC 22a_100000726020_100000184570 [0,1,0,0,0,1|0,1,0]=3 4412 B15R1.1277 COc1cc(ccc1O)NC(=O)CSC 527a_100000726020_100000184570 [0,1,0,0,0,1|0,1,0]=3 4413 B15R1.1794 CCC(=O)Cc1cc(c(cc1Br)O)OC 1458a_100009814189_100000210202 [0,1,0,0,0,1|1,0,0]=3 4414 B15R1.1794 CCC(=O)Nc1cc(c(cc1Br)Br)OC 11a_100000718616_100000210414 [0,1,0,0,0,1|2,0,0]=4 4415 B15R1.1794 CCC(=O)Nc1cc(c(cc1Br)Br)OC 1626a_100000718616_100000210414 [0,1,0,0,0,1|2,0,0]=4 4416 B15R1.1794 CCC(=O)Nc1cc(c(cc1Br)C)OC 11a_100010244135_100000210414 [0,1,0,0,0,1|2,0,0]=4 4417 B15R1.1794 CCC(=O)Nc1cc(c(cc1Br)C)OC 1626a_100010244135_100000210414 [0,1,0,0,0,1|2,0,0]=4 4418 B15R1.1794 CCC(=O)Nc1cc(c(cc1Br)Cl)OC 11a_100013022580_100000210414 [0,1,0,0,0,1|2,0,0]=4 4419 B15R1.1794 CCC(=O)Nc1cc(c(cc1Br)Cl)OC 1626a_100013022580_100000210414 [0,1,0,0,0,1|2,0,0]=4 4420 B15R1.1794 CCC(=O)Nc1cc(c(cc1Br)F)OC 11a_100010208193_100000210414 [0,1,0,0,0,1|2,0,0]=4 4421 B15R1.1794 CCC(=O)Nc1cc(c(cc1Br)F)OC 1626a_100010208193_100000210414 [0,1,0,0,0,1|2,0,0]=4 4422 B15R1.1794 CCC(=O)Nc1cc(c(cc1C)Br)OC 11a_100010232211_100000210414 [0,1,0,0,0,1|2,0,0]=4 4423 B15R1.1794 CCC(=O)Nc1cc(c(cc1C)Br)OC 1626a_100010232211_100000210414 [0,1,0,0,0,1|2,0,0]=4 4424 B15R1.1794 CCC(=O)Nc1cc(c(cc1C)Br)OC 22a_100010232211_100000210414 [0,1,0,0,0,1|2,0,0]=4 4425 B15R1.1794 CCC(=O)Nc1cc(c(cc1C)Br)OC 527a_100010232211_100000210414 [0,1,0,0,0,1|2,0,0]=4 4426 B15R1.1794 CCC(=O)Nc1cc(c(cc1C)Cl)OC 11a_100009858536_100000210414 [0,1,0,0,0,1|2,0,0]=4 4427 B15R1.1794 CCC(=O)Nc1cc(c(cc1C)Cl)OC 1626a_100009858536_100000210414 [0,1,0,0,0,1|2,0,0]=4 4428 B15R1.1794 CCC(=O)Nc1cc(c(cc1C)Cl)OC 22a_100009858536_100000210414 [0,1,0,0,0,1|2,0,0]=4 4429 B15R1.1794 CCC(=O)Nc1cc(c(cc1C)Cl)OC 527a_100009858536_100000210414 [0,1,0,0,0,1|2,0,0]=4 4430 B15R1.1794 CCC(=O)Nc1cc(c(cc1Cl)Br)OC 11a_100012361290_100000210414 [0,1,0,0,0,1|2,0,0]=4 4431 B15R1.1794 CCC(=O)Nc1cc(c(cc1Cl)Br)OC 1626a_100012361290_100000210414 [0,1,0,0,0,1|2,0,0]=4 4432 B15R1.1794 CCC(=O)Nc1cc(c(cc1Cl)Cl)OC 11a_100011830341_100000210414 [0,1,0,0,0,1|2,0,0]=4 4433 B15R1.1794 CCC(=O)Nc1cc(c(cc1Cl)Cl)OC 1626a_100011830341_100000210414 [0,1,0,0,0,1|2,0,0]=4 4434 B15R1.1794 CCC(=O)Nc1cc(c(cc1Cl)Cl)OC 22a_100011830341_100000210414 [0,1,0,0,0,1|2,0,0]=4 4435 B15R1.1794 CCC(=O)Nc1cc(c(cc1Cl)F)OC 11a_100009958774_100000210414 [0,1,0,0,0,1|2,0,0]=4 4436 B15R1.1794 CCC(=O)Nc1cc(c(cc1Cl)F)OC 1626a_100009958774_100000210414 [0,1,0,0,0,1|2,0,0]=4 4437 B15R1.1794 CCC(=O)Nc1cc(c(cc1Cl)F)OC 22a_100009958774_100000210414 [0,1,0,0,0,1|2,0,0]=4 4438 B15R1.1794 CCC(=O)Nc1cc(c(cc1F)Cl)OC 11a_100009872666_100000210414 [0,1,0,0,0,1|2,0,0]=4 4439 B15R1.1794 CCC(=O)Nc1cc(c(cc1F)Cl)OC 1626a_100009872666_100000210414 [0,1,0,0,0,1|2,0,0]=4 4440 B15R1.1794 CCC(=O)Nc1cc(c(cc1F)Cl)OC 22a_100009872666_100000210414 [0,1,0,0,0,1|2,0,0]=4 4441 B15R1.1794 CNC(=O)Cc1cc(c(cc1Br)O)OC 240690a_100102657272_100009814189 [0,1,0,0,0,1|1,0,0]=3 4442 B15R1.1794 CNC(=O)Nc1cc(c(cc1Br)Br)OC 2430a_100000718616_100102657272 [0,1,0,0,0,1|2,0,0]=4 4443 B15R1.1794 CNC(=O)Nc1cc(c(cc1Br)C)OC 2430a_100010244135_100102657272 [0,1,0,0,0,1|2,0,0]=4 4444 B15R1.1794 CNC(=O)Nc1cc(c(cc1Br)Cl)OC 2430a_100013022580_100102657272 [0,1,0,0,0,1|2,0,0]=4 4445 B15R1.1794 CNC(=O)Nc1cc(c(cc1Br)F)OC 2430a_100010208193_100102657272 [0,1,0,0,0,1|2,0,0]=4 4446 B15R1.1794 CNC(=O)Nc1cc(c(cc1C)Br)OC 2430a_100010232211_100102657272 [0,1,0,0,0,1|2,0,0]=4 4447 B15R1.1794 CNC(=O)Nc1cc(c(cc1C)Cl)OC 2430a_100009858536_100102657272 [0,1,0,0,0,1|2,0,0]=4 4448 B15R1.1794 CNC(=O)Nc1cc(c(cc1Cl)Cl)OC 2430a_100011830341_100102657272 [0,1,0,0,0,1|2,0,0]=4 4449 B15R1.1794 CNC(=O)Nc1cc(c(cc1Cl)F)OC 2430a_100009958774_100102657272 [0,1,0,0,0,1|2,0,0]=4 4450 B15R1.1794 CNC(=O)Nc1cc(c(cc1F)Cl)OC 2430a_100009872666_100102657272 [0,1,0,0,0,1|2,0,0]=4 4451 B15R1.1794 COc1cc(c(cc1O)Br)CC(=O)CF 1458a_100009814189_100015361967 [0,1,0,0,0,1|2,0,0]=4 4452 B15R1.1794 COc1cc(c(cc1O)F)SC(C)OC 62a_100009879195_100010189133 [0,1,0,0,0,1|1,0,1]=4 4453 B15R1.3769 C=CC(=O)Nc1ccc(c(c1)OC)CO 22a_100012183141_100000185746 [0,1,0,0,0,1|1,0,1]=4 4454 B15R1.3769 C=CC(=O)Nc1ccc(c(c1)OC)OC 1626a_100000187404_100000185746 [0,1,0,0,0,1|1,0,1]=4 4455 B15R1.3769 C=CC(=O)Nc1ccc(c(c1)OC)OC 22a_100000187404_100000185746 [0,1,0,0,0,1|1,0,1]=4 4456 B15R1.3769 C=Cc1cc(ccc1OC)CC(=O)OC 271570a_100011290941_200012357789 [0,1,0,0,0,1|1,0,1]=4 4457 B15R1.3769 CCC(=O)Cc1ccc(c(c1)OC)OC 1458a_100000184093_100000210202 [0,1,0,0,0,1|1,0,0]=3 4458 B15R1.3769 CCC(=O)Nc1ccc(c(c1)OC)C#N 11a_100011999456_100000210414 [0,1,0,0,0,1|2,0,0]=4 4459 B15R1.3769 CCC(=O)Nc1ccc(c(c1)OC)C#N 1626a_100011999456_100000210414 [0,1,0,0,0,1|2,0,0]=4 4460 B15R1.3769 CCC(=O)Nc1ccc(c(c1)OC)C#N 527a_100011999456_100000210414 [0,1,0,0,0,1|2,0,0]=4 4461 B15R1.3769 CCC(=O)Nc1ccc(c(c1)OC)CO 22a_100012183141_100000210414 [0,1,0,0,0,1|1,0,0]=3 4462 B15R1.3769 CCC(=O)Nc1ccc(c(c1)OC)OC 11a_100000187404_100000210414 [0,1,0,0,0,1|1,0,0]=3 4463 B15R1.3769 CCC(=O)Nc1ccc(c(c1)OC)OC 1626a_100000187404_100000210414 [0,1,0,0,0,1|1,0,0]=3 4464 B15R1.3769 CCC(=O)Nc1ccc(c(c1)OC)OC 22a_100000187404_100000210414 [0,1,0,0,0,1|1,0,0]=3 4465 B15R1.3769 CCC(=O)Nc1ccc(c(c1)OC)OC 527a_100000187404_100000210414 [0,1,0,0,0,1|1,0,0]=3 4466 B15R1.3769 CNC(=O)Cc1ccc(c(c1)OC)OC 11a_106832991635_100000184093 [0,1,0,0,0,1|1,0,0]=3 4467 B15R1.3769 CNC(=O)Cc1ccc(c(c1)OC)OC 240690a_100102657272_100000184093 [0,1,0,0,0,1|1,0,0]=3 4468 B15R1.3769 CNC(=O)Cc1ccc(c(c1)OC)OC 527a_100102657272_100000184093 [0,1,0,0,0,1|1,0,0]=3 4469 B15R1.3769 CNC(=O)Nc1ccc(c(c1)OC)C#N 2430a_100011999456_100102657272 [0,1,0,0,0,1|2,0,0]=4 4470 B15R1.3769 CNC(=O)Nc1ccc(c(c1)OC)C#N 512a_100011999456_100102657272 [0,1,0,0,0,1|2,0,0]=4 4471 B15R1.3769 CNC(=O)Nc1ccc(c(c1)OC)CO 2430a_100012183141_100102657272 [0,1,0,0,0,1|1,0,0]=3 4472 B15R1.3769 CNC(=O)Nc1ccc(c(c1)OC)OC 2430a_100000187404_100102657272 [0,1,0,0,0,1|1,0,0]=3 4473 B15R1.3769 COC(=O)Cc1ccc(c(c1)OC)OC 34a_100000074908_200000210301 [0,1,0,0,0,1|0,0,0]=2 4474 B15R1.3769 COC(=O)Cc1ccc(c(c1)OC)OC 34a_100009869222_200000210301 [0,1,0,0,0,1|0,0,0]=2 4475 B15R1.3769 COC(=O)Cc1ccc(c(c1)OC)O[13CH3] 34a_100000074908_200025704644 [0,1,0,0,0,1|0,0,0]=2 4476 B15R1.3769 COC(=O)Cc1ccc(c(c1)O[13CH3])OC 34a_100009869222_200025704644 [0,1,0,0,0,1|0,0,0]=2 4477 B15R1.3769 COC(=O)Cc1ccc(c(c1)SC)OC 62a_200000210301_200012357789 [0,1,0,0,0,1|0,1,0]=3 4478 B15R1.3769 COC(=O)Cc1ccc(c(c1)SC)OC 62a_200012357789_200000210301 [0,1,0,0,0,1|0,1,0]=3 4479 B15R1.3769 COC(=O)Cc1ccc(c(c1)S[13CH3])OC 62a_200012357789_200025704644 [0,1,0,0,0,1|0,1,0]=3 4480 B15R1.3769 COC(=O)Cc1ccc(c(c1)S[13CH3])OC 62a_200025704644_200012357789 [0,1,0,0,0,1|0,1,0]=3 4481 B15R1.3769 COc1cc(ccc1CO)NC(=O)CO 22a_100012183141_100000210174 [0,1,0,0,0,1|2,0,0]=4 4482 B15R1.3769 COc1cc(ccc1CO)SC(C)OC 62a_100009879195_100011277633 [0,1,0,0,0,1|1,0,1]=4 4483 B15R1.3769 COc1cc(ccc1CO)SC(C)OC 62a_100011277633_100009879195 [0,1,0,0,0,1|1,0,1]=4 4484 B15R1.3769 COc1ccc(cc1OC)CC(=O)CF 1458a_100000184093_100015361967 [0,1,0,0,0,1|2,0,0]=4 4485 B15R1.3769 COc1ccc(cc1OC)CC(C)OC 34a_100011303635_200000210301 [0,1,0,0,0,1|1,0,1]=4 4486 B15R1.3769 COc1ccc(cc1OC)CC(C)OC 7a_100011303635_200000210301 [0,1,0,0,0,1|1,0,1]=4 4487 B15R1.3769 COc1ccc(cc1OC)CC(C)O[13CH3] 34a_100011303635_200025704644 [0,1,0,0,0,1|1,0,1]=4 4488 B15R1.3769 COc1ccc(cc1OC)CC(C)O[13CH3] 7a_100011303635_200025704644 [0,1,0,0,0,1|1,0,1]=4 4489 B15R1.3769 COc1ccc(cc1OC)NC(=O)CO 22a_100000187404_100000210174 [0,1,0,0,0,1|2,0,0]=4 4490 B15R1.3769 COc1ccc(cc1OC)NC(=O)CO 527a_100000187404_100000210174 [0,1,0,0,0,1|2,0,0]=4 4491 B15R1.3769 COc1ccc(cc1OC)SC(C)OC 62a_100009879195_100011356967 [0,1,0,0,0,1|1,0,1]=4 4492 B15R1.3849 C=C(C)c1cc(ccc1F)CC(=O)OC 271570a_100000694244_100011435807 [0,1,0,0,0,1|2,0,0]=4 4493 B15R1.3849 C=C(C)c1cc(ccc1O)CC(=O)OC 271570a_100000694244_100010222482 [0,1,0,0,0,1|1,0,0]=3 4494 B15R1.4029 CCC(=O)C(O)c1ccc(c(c1)OC)O 1458a_100000036414_100000210202 [0,1,0,0,0,1|1,0,0]=3 4495 B15R1.4029 CCC(=O)N(C)c1ccc(c(c1)OC)F 11a_200012002703_100000210414 [0,1,0,0,0,1|2,0,0]=4 4496 B15R1.4029 CCC(=O)N(C)c1ccc(c(c1)OC)F 1626a_200012002703_100000210414 [0,1,0,0,0,1|2,0,0]=4 4497 B15R1.4029 CCC(=O)N(C)c1ccc(c(c1)OC)F 22a_200012002703_100000210414 [0,1,0,0,0,1|2,0,0]=4 4498 B15R1.4029 CCC(=O)N(C)c1ccc(c(c1)OC)F 527a_200012002703_100000210414 [0,1,0,0,0,1|2,0,0]=4 4499 B15R1.4029 CNC(=O)C(O)c1ccc(c(c1)OC)O 240690a_100102657272_100000036414 [0,1,0,0,0,1|1,0,0]=3 4500 B15R1.4029 CNC(=O)N(C)c1ccc(c(c1)OC)F 512a_106832991638_200012002703 [0,1,0,0,0,1|2,0,0]=4 4501 B15R1.4029 CNC(=O)N(C)c1ccc(c(c1)OC)F 512a_200012002703_100102657272 [0,1,0,0,0,1|2,0,0]=4 4502 B15R1.4029 COc1cc(ccc1O)C(O)C(=O)CF 1458a_100000036414_100015361967 [0,1,0,0,0,1|2,0,0]=4 4503 B15R1.4038 C=C(C)C(=O)Cc1ccc(c(c1)OC)Br 1458a_100000185857_100010110085 [0,1,0,0,0,1|2,0,0]=4 4504 B15R1.4038 C=C(C)C(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000185857_200010214485 [0,1,0,0,0,1|2,0,0]=4 4505 B15R1.4038 C=C(C)C(=O)Cc1ccc(c(c1)OC)F 1458a_100000185857_100012349856 [0,1,0,0,0,1|2,0,0]=4 4506 B15R1.4038 C=C(C)C(=O)Nc1ccc(c(c1)OC)Br 11a_100000765947_100000185857 [0,1,0,0,0,1|2,0,0]=4 4507 B15R1.4038 C=C(C)C(=O)Nc1ccc(c(c1)OC)Br 1626a_100000765947_100000185857 [0,1,0,0,0,1|2,0,0]=4 4508 B15R1.4038 C=C(C)C(=O)Nc1ccc(c(c1)OC)Br 22a_100000765947_100000185857 [0,1,0,0,0,1|2,0,0]=4 4509 B15R1.4038 C=C(C)C(=O)Nc1ccc(c(c1)OC)C 11a_100011279678_100000185857 [0,1,0,0,0,1|2,0,0]=4 4510 B15R1.4038 C=C(C)C(=O)Nc1ccc(c(c1)OC)C 1626a_100011279678_100000185857 [0,1,0,0,0,1|2,0,0]=4 4511 B15R1.4038 C=C(C)C(=O)Nc1ccc(c(c1)OC)C 22a_100011279678_100000185857 [0,1,0,0,0,1|2,0,0]=4 4512 B15R1.4038 C=C(C)C(=O)Nc1ccc(c(c1)OC)Cl 11a_100000742311_100000185857 [0,1,0,0,0,1|2,0,0]=4 4513 B15R1.4038 C=C(C)C(=O)Nc1ccc(c(c1)OC)Cl 1626a_100000742311_100000185857 [0,1,0,0,0,1|2,0,0]=4 4514 B15R1.4038 C=C(C)C(=O)Nc1ccc(c(c1)OC)Cl 22a_100000742311_100000185857 [0,1,0,0,0,1|2,0,0]=4 4515 B15R1.4038 C=C(C)C(=O)Nc1ccc(c(c1)OC)F 11a_100000701188_100000185857 [0,1,0,0,0,1|2,0,0]=4 4516 B15R1.4038 C=C(C)C(=O)Nc1ccc(c(c1)OC)F 1626a_100000701188_100000185857 [0,1,0,0,0,1|2,0,0]=4 4517 B15R1.4038 C=C(C)C(=O)Nc1ccc(c(c1)OC)F 22a_100000701188_100000185857 [0,1,0,0,0,1|2,0,0]=4 4518 B15R1.4038 C=C(C)C(=O)Nc1ccc(c(c1)OC)I 11a_100000746945_100000185857 [0,1,0,0,0,1|2,0,0]=4 4519 B15R1.4038 C=C(C)C(=O)Nc1ccc(c(c1)OC)I 1626a_100000746945_100000185857 [0,1,0,0,0,1|2,0,0]=4 4520 B15R1.4038 C=C(C)C(=O)Nc1ccc(c(c1)OC)I 22a_100000746945_100000185857 [0,1,0,0,0,1|2,0,0]=4 4521 B15R1.4038 C=C(C)C(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000185857 [0,1,0,0,0,1|1,0,0]=3 4522 B15R1.4038 C=C(Cl)C(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000039160 [0,1,0,0,0,1|1,0,1]=4 4523 B15R1.4038 C=C(F)C(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000036797 [0,1,0,0,0,1|1,0,1]=4 4524 B15R1.4038 COc1cc(ccc1Br)CC(=O)C(C)C 1458a_100000210198_100010110085 [0,1,0,0,0,1|2,0,0]=4 4525 B15R1.4038 COc1cc(ccc1Br)CC(=O)C(C)C 1458a_200010002685_100000210206 [0,1,0,0,0,1|2,0,0]=4 4526 B15R1.4038 COc1cc(ccc1Br)CC(=O)C(C)F 1458a_100000062450_100010110085 [0,1,0,0,0,1|2,0,0]=4 4527 B15R1.4038 COc1cc(ccc1Br)CC(=O)N(C)C 11a_100102631434_200010002685 [0,1,0,0,0,1|2,0,0]=4 4528 B15R1.4038 COc1cc(ccc1Br)CC(=O)N(C)C 240690a_100102631434_200010002685 [0,1,0,0,0,1|2,0,0]=4 4529 B15R1.4038 COc1cc(ccc1Br)CC(=O)N(C)C 527a_100102631434_200010002685 [0,1,0,0,0,1|2,0,0]=4 4530 B15R1.4038 COc1cc(ccc1Br)CC(=O)[C@@H](C)O 1458a_100000717761_100010110085 [0,1,0,0,0,1|2,0,0]=4 4531 B15R1.4038 COc1cc(ccc1Br)CC(=O)[C@H](C)O 1458a_217856618621_100010110085 [0,1,0,0,0,1|2,0,0]=4 4532 B15R1.4038 COc1cc(ccc1Br)NC(=O)C(C)C 11a_100000765947_100000210198 [0,1,0,0,0,1|2,0,0]=4 4533 B15R1.4038 COc1cc(ccc1Br)NC(=O)C(C)C 1626a_100000765947_100000210198 [0,1,0,0,0,1|2,0,0]=4 4534 B15R1.4038 COc1cc(ccc1Br)NC(=O)C(C)C 22a_100000765947_100000210198 [0,1,0,0,0,1|2,0,0]=4 4535 B15R1.4038 COc1cc(ccc1Br)NC(=O)C(C)C 527a_100000765947_100000210198 [0,1,0,0,0,1|2,0,0]=4 4536 B15R1.4038 COc1cc(ccc1Br)NC(=O)C(C)F 11a_100000765947_100000062450 [0,1,0,0,0,1|2,0,0]=4 4537 B15R1.4038 COc1cc(ccc1Br)NC(=O)C(C)F 1626a_100000765947_100000062450 [0,1,0,0,0,1|2,0,0]=4 4538 B15R1.4038 COc1cc(ccc1Br)NC(=O)C(C)F 22a_100000765947_100000062450 [0,1,0,0,0,1|2,0,0]=4 4539 B15R1.4038 COc1cc(ccc1Br)NC(=O)C(C)F 527a_100000765947_100000062450 [0,1,0,0,0,1|2,0,0]=4 4540 B15R1.4038 COc1cc(ccc1Br)NC(=O)N(C)C 2430a_100000765947_100102631434 [0,1,0,0,0,1|2,0,0]=4 4541 B15R1.4038 COc1cc(ccc1Br)NC(=O)[C@@H](C)O 22a_100000765947_100000717761 [0,1,0,0,0,1|2,0,0]=4 4542 B15R1.4038 COc1cc(ccc1Br)NC(=O)[C@H](C)O 1626a_100000765947_217856618621 [0,1,0,0,0,1|2,0,0]=4 4543 B15R1.4038 COc1cc(ccc1Br)NC(=O)[C@H](C)O 22a_100000765947_217856618621 [0,1,0,0,0,1|2,0,0]=4 4544 B15R1.4038 COc1cc(ccc1C)NC(=O)C(C)C 11a_100011279678_100000210198 [0,1,0,0,0,1|2,0,0]=4 4545 B15R1.4038 COc1cc(ccc1C)NC(=O)C(C)C 1626a_100011279678_100000210198 [0,1,0,0,0,1|2,0,0]=4 4546 B15R1.4038 COc1cc(ccc1C)NC(=O)C(C)C 22a_100011279678_100000210198 [0,1,0,0,0,1|2,0,0]=4 4547 B15R1.4038 COc1cc(ccc1C)NC(=O)C(C)C 527a_100011279678_100000210198 [0,1,0,0,0,1|2,0,0]=4 4548 B15R1.4038 COc1cc(ccc1C)NC(=O)C(C)F 11a_100011279678_100000062450 [0,1,0,0,0,1|2,0,0]=4 4549 B15R1.4038 COc1cc(ccc1C)NC(=O)C(C)F 1626a_100011279678_100000062450 [0,1,0,0,0,1|2,0,0]=4 4550 B15R1.4038 COc1cc(ccc1C)NC(=O)C(C)F 22a_100011279678_100000062450 [0,1,0,0,0,1|2,0,0]=4 4551 B15R1.4038 COc1cc(ccc1C)NC(=O)C(C)F 527a_100011279678_100000062450 [0,1,0,0,0,1|2,0,0]=4 4552 B15R1.4038 COc1cc(ccc1C)NC(=O)N(C)C 2430a_100011279678_100102631434 [0,1,0,0,0,1|2,0,0]=4 4553 B15R1.4038 COc1cc(ccc1C)NC(=O)[C@@H](C)O 22a_100011279678_100000717761 [0,1,0,0,0,1|2,0,0]=4 4554 B15R1.4038 COc1cc(ccc1C)NC(=O)[C@H](C)O 1626a_100011279678_217856618621 [0,1,0,0,0,1|2,0,0]=4 4555 B15R1.4038 COc1cc(ccc1C)NC(=O)[C@H](C)O 22a_100011279678_217856618621 [0,1,0,0,0,1|2,0,0]=4 4556 B15R1.4038 COc1cc(ccc1Cl)CC(=O)C(C)C 1458a_100000210198_200010214485 [0,1,0,0,0,1|2,0,0]=4 4557 B15R1.4038 COc1cc(ccc1Cl)CC(=O)C(C)F 1458a_100000062450_200010214485 [0,1,0,0,0,1|2,0,0]=4 4558 B15R1.4038 COc1cc(ccc1Cl)CC(=O)[C@@H](C)O 1458a_100000717761_200010214485 [0,1,0,0,0,1|2,0,0]=4 4559 B15R1.4038 COc1cc(ccc1Cl)CC(=O)[C@H](C)O 1458a_217856618621_200010214485 [0,1,0,0,0,1|2,0,0]=4 4560 B15R1.4038 COc1cc(ccc1Cl)NC(=O)C(C)C 11a_100000742311_100000210198 [0,1,0,0,0,1|2,0,0]=4 4561 B15R1.4038 COc1cc(ccc1Cl)NC(=O)C(C)C 1626a_100000742311_100000210198 [0,1,0,0,0,1|2,0,0]=4 4562 B15R1.4038 COc1cc(ccc1Cl)NC(=O)C(C)C 22a_100000742311_100000210198 [0,1,0,0,0,1|2,0,0]=4 4563 B15R1.4038 COc1cc(ccc1Cl)NC(=O)C(C)C 527a_100000742311_100000210198 [0,1,0,0,0,1|2,0,0]=4 4564 B15R1.4038 COc1cc(ccc1Cl)NC(=O)C(C)F 11a_100000742311_100000062450 [0,1,0,0,0,1|2,0,0]=4 4565 B15R1.4038 COc1cc(ccc1Cl)NC(=O)C(C)F 1626a_100000742311_100000062450 [0,1,0,0,0,1|2,0,0]=4 4566 B15R1.4038 COc1cc(ccc1Cl)NC(=O)C(C)F 22a_100000742311_100000062450 [0,1,0,0,0,1|2,0,0]=4 4567 B15R1.4038 COc1cc(ccc1Cl)NC(=O)C(C)F 527a_100000742311_100000062450 [0,1,0,0,0,1|2,0,0]=4 4568 B15R1.4038 COc1cc(ccc1Cl)NC(=O)N(C)C 2430a_100000742311_100102631434 [0,1,0,0,0,1|2,0,0]=4 4569 B15R1.4038 COc1cc(ccc1Cl)NC(=O)[C@@H](C)O 22a_100000742311_100000717761 [0,1,0,0,0,1|2,0,0]=4 4570 B15R1.4038 COc1cc(ccc1Cl)NC(=O)[C@H](C)O 1626a_100000742311_217856618621 [0,1,0,0,0,1|2,0,0]=4 4571 B15R1.4038 COc1cc(ccc1Cl)NC(=O)[C@H](C)O 22a_100000742311_217856618621 [0,1,0,0,0,1|2,0,0]=4 4572 B15R1.4038 COc1cc(ccc1F)CC(=O)C(C)C 1458a_100000117344_100000210206 [0,1,0,0,0,1|2,0,0]=4 4573 B15R1.4038 COc1cc(ccc1F)CC(=O)C(C)C 1458a_100000210198_100012349856 [0,1,0,0,0,1|2,0,0]=4 4574 B15R1.4038 COc1cc(ccc1F)CC(=O)C(C)F 1458a_100000062450_100012349856 [0,1,0,0,0,1|2,0,0]=4 4575 B15R1.4038 COc1cc(ccc1F)CC(=O)N(C)C 11a_100102631434_100000117344 [0,1,0,0,0,1|2,0,0]=4 4576 B15R1.4038 COc1cc(ccc1F)CC(=O)N(C)C 1626a_100102631434_100000117344 [0,1,0,0,0,1|2,0,0]=4 4577 B15R1.4038 COc1cc(ccc1F)CC(=O)N(C)C 240690a_100102631434_100000117344 [0,1,0,0,0,1|2,0,0]=4 4578 B15R1.4038 COc1cc(ccc1F)CC(=O)N(C)C 527a_100102631434_100000117344 [0,1,0,0,0,1|2,0,0]=4 4579 B15R1.4038 COc1cc(ccc1F)CC(=O)[C@@H](C)O 1458a_100000717761_100012349856 [0,1,0,0,0,1|2,0,0]=4 4580 B15R1.4038 COc1cc(ccc1F)CC(=O)[C@H](C)O 1458a_217856618621_100012349856 [0,1,0,0,0,1|2,0,0]=4 4581 B15R1.4038 COc1cc(ccc1F)NC(=O)C(C)C 11a_100000701188_100000210198 [0,1,0,0,0,1|2,0,0]=4 4582 B15R1.4038 COc1cc(ccc1F)NC(=O)C(C)C 1626a_100000701188_100000210198 [0,1,0,0,0,1|2,0,0]=4 4583 B15R1.4038 COc1cc(ccc1F)NC(=O)C(C)C 22a_100000701188_100000210198 [0,1,0,0,0,1|2,0,0]=4 4584 B15R1.4038 COc1cc(ccc1F)NC(=O)C(C)C 527a_100000701188_100000210198 [0,1,0,0,0,1|2,0,0]=4 4585 B15R1.4038 COc1cc(ccc1F)NC(=O)C(C)F 11a_100000701188_100000062450 [0,1,0,0,0,1|2,0,0]=4 4586 B15R1.4038 COc1cc(ccc1F)NC(=O)C(C)F 1626a_100000701188_100000062450 [0,1,0,0,0,1|2,0,0]=4 4587 B15R1.4038 COc1cc(ccc1F)NC(=O)C(C)F 22a_100000701188_100000062450 [0,1,0,0,0,1|2,0,0]=4 4588 B15R1.4038 COc1cc(ccc1F)NC(=O)C(C)F 527a_100000701188_100000062450 [0,1,0,0,0,1|2,0,0]=4 4589 B15R1.4038 COc1cc(ccc1F)NC(=O)N(C)C 2430a_100000701188_100102631434 [0,1,0,0,0,1|2,0,0]=4 4590 B15R1.4038 COc1cc(ccc1F)NC(=O)[C@@H](C)O 22a_100000701188_100000717761 [0,1,0,0,0,1|2,0,0]=4 4591 B15R1.4038 COc1cc(ccc1F)NC(=O)[C@H](C)O 1626a_100000701188_217856618621 [0,1,0,0,0,1|2,0,0]=4 4592 B15R1.4038 COc1cc(ccc1F)NC(=O)[C@H](C)O 22a_100000701188_217856618621 [0,1,0,0,0,1|2,0,0]=4 4593 B15R1.4038 COc1cc(ccc1I)NC(=O)C(C)C 11a_100000746945_100000210198 [0,1,0,0,0,1|2,0,0]=4 4594 B15R1.4038 COc1cc(ccc1I)NC(=O)C(C)C 1626a_100000746945_100000210198 [0,1,0,0,0,1|2,0,0]=4 4595 B15R1.4038 COc1cc(ccc1I)NC(=O)C(C)C 22a_100000746945_100000210198 [0,1,0,0,0,1|2,0,0]=4 4596 B15R1.4038 COc1cc(ccc1I)NC(=O)C(C)C 527a_100000746945_100000210198 [0,1,0,0,0,1|2,0,0]=4 4597 B15R1.4038 COc1cc(ccc1I)NC(=O)C(C)F 11a_100000746945_100000062450 [0,1,0,0,0,1|2,0,0]=4 4598 B15R1.4038 COc1cc(ccc1I)NC(=O)C(C)F 1626a_100000746945_100000062450 [0,1,0,0,0,1|2,0,0]=4 4599 B15R1.4038 COc1cc(ccc1I)NC(=O)C(C)F 22a_100000746945_100000062450 [0,1,0,0,0,1|2,0,0]=4 4600 B15R1.4038 COc1cc(ccc1I)NC(=O)C(C)F 527a_100000746945_100000062450 [0,1,0,0,0,1|2,0,0]=4 4601 B15R1.4038 COc1cc(ccc1I)NC(=O)N(C)C 2430a_100000746945_100102631434 [0,1,0,0,0,1|2,0,0]=4 4602 B15R1.4038 COc1cc(ccc1I)NC(=O)[C@@H](C)O 22a_100000746945_100000717761 [0,1,0,0,0,1|2,0,0]=4 4603 B15R1.4038 COc1cc(ccc1I)NC(=O)[C@H](C)O 1626a_100000746945_217856618621 [0,1,0,0,0,1|2,0,0]=4 4604 B15R1.4038 COc1cc(ccc1I)NC(=O)[C@H](C)O 22a_100000746945_217856618621 [0,1,0,0,0,1|2,0,0]=4 4605 B15R1.4038 COc1cc(ccc1O)CC(=O)C(C)C 1458a_100000032101_100000210206 [0,1,0,0,0,1|1,0,0]=3 4606 B15R1.4038 COc1cc(ccc1O)CC(=O)N(C)C 240690a_100102631434_100000032101 [0,1,0,0,0,1|1,0,0]=3 4607 B15R1.4038 COc1cc(ccc1O)CC(=O)N(C)C 527a_100102631434_100000032101 [0,1,0,0,0,1|1,0,0]=3 4608 B15R1.4038 COc1cc(ccc1O)NC(=O)C(=O)N 22a_100000726020_100011215815 [0,1,0,0,0,1|2,0,0]=4 4609 B15R1.4038 COc1cc(ccc1O)NC(=O)C(C)C 22a_100000726020_100000210198 [0,1,0,0,0,1|1,0,0]=3 4610 B15R1.4038 COc1cc(ccc1O)NC(=O)C(C)C 527a_100000726020_100000210198 [0,1,0,0,0,1|1,0,0]=3 4611 B15R1.4038 COc1cc(ccc1O)NC(=O)C(C)F 22a_100000726020_100000062450 [0,1,0,0,0,1|1,0,0]=3 4612 B15R1.4038 COc1cc(ccc1O)NC(=O)C(C)F 527a_100000726020_100000062450 [0,1,0,0,0,1|1,0,0]=3 4613 B15R1.4038 COc1cc(ccc1O)NC(=O)C(F)F 22a_100000726020_100000210393 [0,1,0,0,0,1|2,0,0]=4 4614 B15R1.4038 COc1cc(ccc1O)NC(=O)C(F)F 527a_100000726020_100000210393 [0,1,0,0,0,1|2,0,0]=4 4615 B15R1.4038 COc1cc(ccc1O)NC(=O)C(O)O 22a_100000726020_100000233687 [0,1,0,0,0,1|2,0,0]=4 4616 B15R1.4038 COc1cc(ccc1O)NC(=O)N(C)C 2430a_100000726020_100102631434 [0,1,0,0,0,1|1,0,0]=3 4617 B15R1.4038 COc1cc(ccc1O)NC(=O)[C@@H](C)O 22a_100000726020_100000717761 [0,1,0,0,0,1|1,0,0]=3 4618 B15R1.4038 COc1cc(ccc1O)NC(=O)[C@H](C)O 22a_100000726020_217856618621 [0,1,0,0,0,1|1,0,0]=3 4619 B15R1.5196 CCC(=O)Cc1ccc(c(c1F)OC)Cl 1458a_100000210414_100010116237 [0,1,0,0,0,1|2,0,0]=4 4620 B15R1.5196 CCC(=O)Cc1ccc(c(c1F)OC)F 1458a_100000210414_100009814548 [0,1,0,0,0,1|2,0,0]=4 4621 B15R1.5196 CCC(=O)Nc1ccc(c(c1F)OC)F 11a_100137314619_100000210414 [0,1,0,0,0,1|2,0,0]=4 4622 B15R1.5196 CCC(=O)Nc1ccc(c(c1F)OC)F 1626a_100137314619_100000210414 [0,1,0,0,0,1|2,0,0]=4 4623 B15R1.5196 CCC(=O)Nc1ccc(c(c1F)OC)F 22a_100137314619_100000210414 [0,1,0,0,0,1|2,0,0]=4 4624 B15R1.5196 CCC(=O)Nc1ccc(c(c1F)OC)F 527a_100137314619_100000210414 [0,1,0,0,0,1|2,0,0]=4 4625 B15R1.5196 CNC(=O)Nc1ccc(c(c1F)OC)F 2430a_100137314619_100102657272 [0,1,0,0,0,1|2,0,0]=4 4626 B15R1.5196 CNC(=O)Nc1ccc(c(c1F)OC)F 512a_100137314619_100102657272 [0,1,0,0,0,1|2,0,0]=4 4627 B15R1.9222 C=C=Cc1cc(ccc1O)CC(=O)OC 271570a_100015277604_100010222482 [0,1,0,0,0,1|1,0,1]=4 4628 B15R1.9222 CC=Cc1cc(ccc1F)CC(=O)OC 271570a_100016259895_100011435807 [0,1,0,0,0,1|2,0,0]=4 4629 B15R1.9222 CC=Cc1cc(ccc1O)CC(=O)OC 271570a_100016259895_100010222482 [0,1,0,0,0,1|1,0,0]=3 4630 B15R1.9222 CCOc1cc(ccc1Br)NC(=O)CC 11a_200016990551_100000210414 [0,1,0,0,0,1|2,0,0]=4 4631 B15R1.9222 CCOc1cc(ccc1Br)NC(=O)CC 1626a_200016990551_100000210414 [0,1,0,0,0,1|2,0,0]=4 4632 B15R1.9222 CCOc1cc(ccc1Br)NC(=O)CC 22a_200016990551_100000210414 [0,1,0,0,0,1|2,0,0]=4 4633 B15R1.9222 CCOc1cc(ccc1Br)NC(=O)CC 527a_200016990551_100000210414 [0,1,0,0,0,1|2,0,0]=4 4634 B15R1.9222 CCOc1cc(ccc1Br)NC(=O)NC 2430a_200016990551_100102657272 [0,1,0,0,0,1|2,0,0]=4 4635 B15R1.9222 CCOc1cc(ccc1Cl)NC(=O)CC 11a_100011964961_100000210414 [0,1,0,0,0,1|2,0,0]=4 4636 B15R1.9222 CCOc1cc(ccc1Cl)NC(=O)CC 1626a_100011964961_100000210414 [0,1,0,0,0,1|2,0,0]=4 4637 B15R1.9222 CCOc1cc(ccc1Cl)NC(=O)CC 22a_100011964961_100000210414 [0,1,0,0,0,1|2,0,0]=4 4638 B15R1.9222 CCOc1cc(ccc1Cl)NC(=O)CC 527a_100011964961_100000210414 [0,1,0,0,0,1|2,0,0]=4 4639 B15R1.9222 CCOc1cc(ccc1Cl)NC(=O)NC 2430a_100011964961_100102657272 [0,1,0,0,0,1|2,0,0]=4 4640 B15R1.9222 CCOc1cc(ccc1N)CC(=O)OC 34a_200009957001_100000210202 [0,1,0,0,0,1|1,0,0]=3 4641 B15R1.9222 CCOc1cc(ccc1O)CC(=O)CC 1458a_200000048972_100000210202 [0,1,0,0,0,1|1,0,0]=3 4642 B15R1.9222 CCOc1cc(ccc1O)CC(=O)CF 1458a_200000048972_100015361967 [0,1,0,0,0,1|2,0,0]=4 4643 B15R1.9222 CCOc1cc(ccc1O)CC(=O)NC 240690a_100102657272_200000048972 [0,1,0,0,0,1|1,0,0]=3 4644 B15R1.9222 CCOc1cc(ccc1O)CC(=O)NC 527a_100102657272_200000048972 [0,1,0,0,0,1|1,0,0]=3 4645 B15R1.9222 CCSc1cc(ccc1F)CC(=O)OC 62a_100000210202_100011435807 [0,1,0,0,0,1|1,1,0]=4 4646 B15R1.9222 CCSc1cc(ccc1F)CC(=O)OC 62a_100011435807_100000210202 [0,1,0,0,0,1|1,1,0]=4 4647 B15R1.9222 CCSc1cc(ccc1O)CC(=O)OC 62a_100000210202_100010222482 [0,1,0,0,0,1|0,1,0]=3 4648 B15R1.9222 CCSc1cc(ccc1O)CC(=O)OC 62a_100010222482_100000210202 [0,1,0,0,0,1|0,1,0]=3 4649 B15R1.9222 COC(=O)Cc1ccc(c(c1)OCF)N 34a_200009957001_100015361967 [0,1,0,0,0,1|1,0,0]=3 4650 B15R1.9222 COC(=O)Cc1ccc(c(c1)SCF)F 62a_100011435807_100015361967 [0,1,0,0,0,1|1,1,0]=4 4651 B15R1.9222 COC(=O)Cc1ccc(c(c1)SCF)F 62a_100015361967_100011435807 [0,1,0,0,0,1|1,1,0]=4 4652 B15R1.9222 COC(=O)Cc1ccc(c(c1)SCF)O 62a_100010222482_100015361967 [0,1,0,0,0,1|0,1,0]=3 4653 B15R1.9222 COC(=O)Cc1ccc(c(c1)SCF)O 62a_100015361967_100010222482 [0,1,0,0,0,1|0,1,0]=3 4654 B15R1.17595 CCS(=O)(=O)Nc1ccc(c(c1)OC)O 232682a_100000726020_100000211323 [0,1,0,0,0,1|2,0,0]=4 4655 B15R1.17595 CCS(=O)(=O)Nc1ccc(c(c1)OC)O 40a_100000726020_100000053943 [0,1,0,0,0,1|2,0,0]=4 4656 B15R1.391 COc1cc(cc(c1Cl)Br)C(=O)C(C)C 1458a_100020639751_100000210206 [0,2,0,0,0,0|2,0,0]=4 4657 B15R1.391 COc1cc(cc(c1Cl)Br)C(=O)N(C)C 11a_100102631434_100020639751 [0,2,0,0,0,0|2,0,0]=4 4658 B15R1.391 COc1cc(cc(c1Cl)Br)C(=O)N(C)C 1626a_100102631434_100020639751 [0,2,0,0,0,0|2,0,0]=4 4659 B15R1.391 COc1cc(cc(c1Cl)Br)C(=O)N(C)C 240690a_100102631434_100020639751 [0,2,0,0,0,0|2,0,0]=4 4660 B15R1.391 COc1cc(cc(c1Cl)Br)C(=O)N(C)C 527a_100102631434_100020639751 [0,2,0,0,0,0|2,0,0]=4 4661 B15R1.391 COc1cc(cc(c1F)F)C(=O)C(C)C 1458a_100000081826_100000210206 [0,2,0,0,0,0|2,0,0]=4 4662 B15R1.391 COc1cc(cc(c1F)F)C(=O)N(C)C 11a_100102631434_100000081826 [0,2,0,0,0,0|2,0,0]=4 4663 B15R1.391 COc1cc(cc(c1F)F)C(=O)N(C)C 1626a_100102631434_100000081826 [0,2,0,0,0,0|2,0,0]=4 4664 B15R1.391 COc1cc(cc(c1F)F)C(=O)N(C)C 240690a_100102631434_100000081826 [0,2,0,0,0,0|2,0,0]=4 4665 B15R1.391 COc1cc(cc(c1F)F)C(=O)N(C)C 527a_100102631434_100000081826 [0,2,0,0,0,0|2,0,0]=4 4666 B15R1.391 COc1cc(cc(c1O)Cl)C(=O)C(C)C 1458a_100000209947_100000210206 [0,2,0,0,0,0|1,0,0]=3 4667 B15R1.391 COc1cc(cc(c1O)Cl)C(=O)N(C)C 240690a_100102631434_100000209947 [0,2,0,0,0,0|1,0,0]=3 4668 B15R1.391 COc1cc(cc(c1O)O)C(=O)C(C)C 1458a_100000061230_100000210206 [0,2,0,0,0,0|1,0,0]=3 4669 B15R1.530 CCOc1cc(ccc1C)C(=O)C(C)C 1458a_100000238212_100000210206 [0,2,0,0,0,0|2,0,0]=4 4670 B15R1.530 CCOc1cc(ccc1C)C(=O)N(C)C 11a_100102631434_100000238212 [0,2,0,0,0,0|2,0,0]=4 4671 B15R1.530 CCOc1cc(ccc1C)C(=O)N(C)C 1626a_100102631434_100000238212 [0,2,0,0,0,0|2,0,0]=4 4672 B15R1.530 CCOc1cc(ccc1C)C(=O)N(C)C 240690a_100102631434_100000238212 [0,2,0,0,0,0|2,0,0]=4 4673 B15R1.530 CCOc1cc(ccc1C)C(=O)N(C)C 527a_100102631434_100000238212 [0,2,0,0,0,0|2,0,0]=4 4674 B15R1.530 CCOc1cc(ccc1Cl)C(=O)C(C)C 1458a_200010207389_100000210206 [0,2,0,0,0,0|2,0,0]=4 4675 B15R1.530 CCOc1cc(ccc1Cl)C(=O)N(C)C 11a_100102631434_200010207389 [0,2,0,0,0,0|2,0,0]=4 4676 B15R1.530 CCOc1cc(ccc1Cl)C(=O)N(C)C 1626a_100102631434_200010207389 [0,2,0,0,0,0|2,0,0]=4 4677 B15R1.530 CCOc1cc(ccc1Cl)C(=O)N(C)C 240690a_100102631434_200010207389 [0,2,0,0,0,0|2,0,0]=4 4678 B15R1.530 CCOc1cc(ccc1Cl)C(=O)N(C)C 527a_100102631434_200010207389 [0,2,0,0,0,0|2,0,0]=4 4679 B15R1.530 CCOc1cc(ccc1O)C(=O)C(C)C 1458a_100011260950_100000210206 [0,2,0,0,0,0|1,0,0]=3 4680 B15R1.530 CCOc1cc(ccc1O)C(=O)N(C)C 240690a_100102631434_100011260950 [0,2,0,0,0,0|1,0,0]=3 4681 B15R1.1802 COc1cc(c(cc1C)Br)C(=O)C(C)C 1458a_100010289115_100000210206 [0,2,0,0,0,0|2,0,0]=4 4682 B15R1.1802 COc1cc(c(cc1C)Br)C(=O)N(C)C 11a_100102631434_100010289115 [0,2,0,0,0,0|2,0,0]=4 4683 B15R1.1802 COc1cc(c(cc1C)Br)C(=O)N(C)C 1626a_100102631434_100010289115 [0,2,0,0,0,0|2,0,0]=4 4684 B15R1.1802 COc1cc(c(cc1C)Br)C(=O)N(C)C 240690a_100102631434_100010289115 [0,2,0,0,0,0|2,0,0]=4 4685 B15R1.1802 COc1cc(c(cc1C)Br)C(=O)N(C)C 527a_100102631434_100010289115 [0,2,0,0,0,0|2,0,0]=4 4686 B15R1.1802 COc1cc(c(cc1F)Br)C(=O)C(C)C 1458a_100010174800_100000210206 [0,2,0,0,0,0|2,0,0]=4 4687 B15R1.1802 COc1cc(c(cc1F)Br)C(=O)N(C)C 11a_100102631434_100010174800 [0,2,0,0,0,0|2,0,0]=4 4688 B15R1.1802 COc1cc(c(cc1F)Br)C(=O)N(C)C 1626a_100102631434_100010174800 [0,2,0,0,0,0|2,0,0]=4 4689 B15R1.1802 COc1cc(c(cc1F)Br)C(=O)N(C)C 240690a_100102631434_100010174800 [0,2,0,0,0,0|2,0,0]=4 4690 B15R1.1802 COc1cc(c(cc1F)Br)C(=O)N(C)C 527a_100102631434_100010174800 [0,2,0,0,0,0|2,0,0]=4 4691 B15R1.1802 COc1cc(c(cc1O)F)C(=C(C)C)C 271570a_200000049429_100010189133 [0,2,0,0,0,0|2,0,0]=4 4692 B15R1.4058 COc1cc(ccc1O)C(=O)C(F)(F)F 1458a_100000687070_200000243211 [0,2,0,0,0,0|2,0,0]=4 4693 B15R1.5215 COc1c(ccc(c1F)C(=O)C(C)C)Br 1458a_100009816242_100000210206 [0,2,0,0,0,0|2,0,0]=4 4694 B15R1.5215 COc1c(ccc(c1F)C(=O)C(C)C)Cl 1458a_100010116254_100000210206 [0,2,0,0,0,0|2,0,0]=4 4695 B15R1.5215 COc1c(ccc(c1F)C(=O)C(C)C)F 1458a_100000061937_100000210206 [0,2,0,0,0,0|2,0,0]=4 4696 B15R1.5215 COc1c(ccc(c1F)C(=O)N(C)C)Br 11a_100102631434_100009816242 [0,2,0,0,0,0|2,0,0]=4 4697 B15R1.5215 COc1c(ccc(c1F)C(=O)N(C)C)Br 1626a_100102631434_100009816242 [0,2,0,0,0,0|2,0,0]=4 4698 B15R1.5215 COc1c(ccc(c1F)C(=O)N(C)C)Br 240690a_100102631434_100009816242 [0,2,0,0,0,0|2,0,0]=4 4699 B15R1.5215 COc1c(ccc(c1F)C(=O)N(C)C)Br 527a_100102631434_100009816242 [0,2,0,0,0,0|2,0,0]=4 4700 B15R1.5215 COc1c(ccc(c1F)C(=O)N(C)C)Cl 11a_100102631434_100010116254 [0,2,0,0,0,0|2,0,0]=4 4701 B15R1.5215 COc1c(ccc(c1F)C(=O)N(C)C)Cl 1626a_100102631434_100010116254 [0,2,0,0,0,0|2,0,0]=4 4702 B15R1.5215 COc1c(ccc(c1F)C(=O)N(C)C)Cl 240690a_100102631434_100010116254 [0,2,0,0,0,0|2,0,0]=4 4703 B15R1.5215 COc1c(ccc(c1F)C(=O)N(C)C)Cl 527a_100102631434_100010116254 [0,2,0,0,0,0|2,0,0]=4 4704 B15R1.5215 COc1c(ccc(c1F)C(=O)N(C)C)F 11a_100102631434_100000061937 [0,2,0,0,0,0|2,0,0]=4 4705 B15R1.5215 COc1c(ccc(c1F)C(=O)N(C)C)F 1626a_100102631434_100000061937 [0,2,0,0,0,0|2,0,0]=4 4706 B15R1.5215 COc1c(ccc(c1F)C(=O)N(C)C)F 240690a_100102631434_100000061937 [0,2,0,0,0,0|2,0,0]=4 4707 B15R1.5215 COc1c(ccc(c1F)C(=O)N(C)C)F 527a_100102631434_100000061937 [0,2,0,0,0,0|2,0,0]=4 4708 B15R1.12853 CNc1cc(ccc1OC)C(=O)N(C)C 2230a_100000742845_200000210301 [0,2,0,0,0,0|2,0,0]=4 4709 B15R1.12853 CNc1cc(ccc1OC)C(=O)N(C)C 34a_100000742845_200000210301 [0,2,0,0,0,0|2,0,0]=4 4710 B15R1.12853 CNc1cc(ccc1OC)C(=O)N(C)C 7a_100000742845_200000210301 [0,2,0,0,0,0|2,0,0]=4 4711 B15R1.12853 COc1cc(ccc1C#N)C(=O)C(C)C 1458a_100009879710_100000210206 [0,2,0,0,0,0|2,0,0]=4 4712 B15R1.12853 COc1cc(ccc1C#N)C(=O)N(C)C 11a_100102631434_100009879710 [0,2,0,0,0,0|2,0,0]=4 4713 B15R1.12853 COc1cc(ccc1C#N)C(=O)N(C)C 1626a_100102631434_100009879710 [0,2,0,0,0,0|2,0,0]=4 4714 B15R1.12853 COc1cc(ccc1C#N)C(=O)N(C)C 240690a_100102631434_100009879710 [0,2,0,0,0,0|2,0,0]=4 4715 B15R1.12853 COc1cc(ccc1C#N)C(=O)N(C)C 527a_100102631434_100009879710 [0,2,0,0,0,0|2,0,0]=4 4716 B15R1.12853 COc1cc(ccc1CO)C(=C(C)C)C 271570a_200000049429_100011277633 [0,2,0,0,0,0|2,0,0]=4 4717 B15R1.12853 COc1cc(ccc1O[13CH3])C(=O)N(C)C 34a_100009841360_200025704644 [0,2,0,0,0,0|1,0,0]=3 4718 B15R1.12853 COc1cc(ccc1O[13CH3])C(=O)N(C)C 7a_100009841360_200025704644 [0,2,0,0,0,0|1,0,0]=3 4719 B15R1.12853 COc1ccc(cc1N[13CH3])C(=O)N(C)C 2230a_100000742845_200025704644 [0,2,0,0,0,0|2,0,0]=4 4720 B15R1.12853 COc1ccc(cc1N[13CH3])C(=O)N(C)C 34a_100000742845_200025704644 [0,2,0,0,0,0|2,0,0]=4 4721 B15R1.12853 COc1ccc(cc1N[13CH3])C(=O)N(C)C 7a_100000742845_200025704644 [0,2,0,0,0,0|2,0,0]=4 4722 B15R1.12853 COc1ccc(cc1OC)C(=C(C)C)C 271570a_200000049429_100000187503 [0,2,0,0,0,0|2,0,0]=4 4723 B15R1.12853 COc1ccc(cc1OC)C(=O)C(C)C 1458a_100000211223_100000210206 [0,2,0,0,0,0|1,0,0]=3 4724 B15R1.12853 COc1ccc(cc1OC)C(=O)N(C)C 11a_100102631434_100000211223 [0,2,0,0,0,0|1,0,0]=3 4725 B15R1.12853 COc1ccc(cc1OC)C(=O)N(C)C 1626a_100102631434_100000211223 [0,2,0,0,0,0|1,0,0]=3 4726 B15R1.12853 COc1ccc(cc1OC)C(=O)N(C)C 240690a_100102631434_100000211223 [0,2,0,0,0,0|1,0,0]=3 4727 B15R1.12853 COc1ccc(cc1OC)C(=O)N(C)C 34a_100009841360_200000210301 [0,2,0,0,0,0|1,0,0]=3 4728 B15R1.12853 COc1ccc(cc1OC)C(=O)N(C)C 527a_100102631434_100000211223 [0,2,0,0,0,0|1,0,0]=3 4729 B15R1.12853 COc1ccc(cc1OC)C(=O)N(C)C 7a_100009841360_200000210301 [0,2,0,0,0,0|1,0,0]=3 4730 B15R1.374 CCC(=O)c1cc(c(c(c1)OC)OC)Cl 1458a_100000180162_100000210202 [0,2,0,0,0,0|1,0,0]=3 4731 B15R1.374 CCC(=O)c1cc(c(c(c1)OC)OC)O 1458a_100000032013_100000210202 [0,2,0,0,0,0|1,0,0]=3 4732 B15R1.374 CNC(=O)c1cc(c(c(c1)OC)OC)Cl 11a_106832991635_100000180162 [0,2,0,0,0,0|1,0,0]=3 4733 B15R1.374 CNC(=O)c1cc(c(c(c1)OC)OC)Cl 1626a_100102657272_100000180162 [0,2,0,0,0,0|1,0,0]=3 4734 B15R1.374 CNC(=O)c1cc(c(c(c1)OC)OC)Cl 240690a_100102657272_100000180162 [0,2,0,0,0,0|1,0,0]=3 4735 B15R1.374 CNC(=O)c1cc(c(c(c1)OC)OC)Cl 527a_100102657272_100000180162 [0,2,0,0,0,0|1,0,0]=3 4736 B15R1.374 CNC(=O)c1cc(c(c(c1)OC)OC)O 240690a_100102657272_100000032013 [0,2,0,0,0,0|1,0,0]=3 4737 B15R1.374 CNC(=O)c1cc(c(c(c1)OC)OC)O 527a_100102657272_100000032013 [0,2,0,0,0,0|1,0,0]=3 4738 B15R1.374 COC(=O)c1cc(c(c(c1)OC)OC)Br 34a_200009811556_200000210301 [0,2,0,0,0,0|0,0,0]=2 4739 B15R1.374 COC(=O)c1cc(c(c(c1)OC)OC)Br 7a_200009811556_200000210301 [0,2,0,0,0,0|0,0,0]=2 4740 B15R1.374 COC(=O)c1cc(c(c(c1)OC)OC)F 34a_200010080224_200000210301 [0,2,0,0,0,0|0,0,0]=2 4741 B15R1.374 COC(=O)c1cc(c(c(c1)OC)OC)F 7a_200010080224_200000210301 [0,2,0,0,0,0|0,0,0]=2 4742 B15R1.374 COC(=O)c1cc(c(c(c1)OC)OC)O 271570a_203496583355_100000727075 [0,2,0,0,0,0|0,0,0]=2 4743 B15R1.374 COC(=O)c1cc(c(c(c1)OC)O[13CH3])Br 34a_200009811556_200025704644 [0,2,0,0,0,0|0,0,0]=2 4744 B15R1.374 COC(=O)c1cc(c(c(c1)OC)O[13CH3])Br 7a_200009811556_200025704644 [0,2,0,0,0,0|0,0,0]=2 4745 B15R1.374 COC(=O)c1cc(c(c(c1)O[13CH3])OC)F 34a_200010080224_200025704644 [0,2,0,0,0,0|0,0,0]=2 4746 B15R1.374 COC(=O)c1cc(c(c(c1)O[13CH3])OC)F 7a_200010080224_200025704644 [0,2,0,0,0,0|0,0,0]=2 4747 B15R1.374 COc1cc(cc(c1OC)Cl)C(=O)CF 1458a_100000180162_100015361967 [0,2,0,0,0,0|2,0,0]=4 4748 B15R1.374 COc1cc(cc(c1OC)O)C(=O)CF 1458a_100000032013_100015361967 [0,2,0,0,0,0|2,0,0]=4 4749 B15R1.383 C=Cc1cc(cc(c1N)OC)C(=O)OC 271570a_100011290941_100010236038 [0,2,0,0,0,0|1,0,0]=3 4750 B15R1.383 C=Cc1cc(cc(c1O)C=O)C(=O)OC 271570a_100011290941_100010724619 [0,2,0,0,0,0|1,0,1]=4 4751 B15R1.383 C=Cc1cc(cc(c1O)OC)C(=O)OC 271570a_100011290941_200009811556 [0,2,0,0,0,0|0,0,0]=2 4752 B15R1.383 CCC(=O)c1cc(c(c(c1)OC)Br)OC 1458a_100000212323_100000210202 [0,2,0,0,0,0|2,0,0]=4 4753 B15R1.383 CCC(=O)c1cc(c(c(c1)OC)C)OC 1458a_100000211643_100000210202 [0,2,0,0,0,0|2,0,0]=4 4754 B15R1.383 CCC(=O)c1cc(c(c(c1)OC)O)OC 1458a_100000692901_100000210202 [0,2,0,0,0,0|1,0,0]=3 4755 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)Br)OC 11a_106832991635_100000212323 [0,2,0,0,0,0|2,0,0]=4 4756 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)Br)OC 1626a_100102657272_100000212323 [0,2,0,0,0,0|2,0,0]=4 4757 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)Br)OC 240690a_100102657272_100000212323 [0,2,0,0,0,0|2,0,0]=4 4758 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)Br)OC 527a_100102657272_100000212323 [0,2,0,0,0,0|2,0,0]=4 4759 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)C)OC 11a_106832991635_100000211643 [0,2,0,0,0,0|2,0,0]=4 4760 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)C)OC 1626a_100102657272_100000211643 [0,2,0,0,0,0|2,0,0]=4 4761 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)C)OC 240690a_100102657272_100000211643 [0,2,0,0,0,0|2,0,0]=4 4762 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)C)OC 527a_100102657272_100000211643 [0,2,0,0,0,0|2,0,0]=4 4763 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)O)OC 240690a_100102657272_100000692901 [0,2,0,0,0,0|1,0,0]=3 4764 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)O)OC 527a_100102657272_100000692901 [0,2,0,0,0,0|1,0,0]=3 4765 B15R1.383 COC(=O)c1cc(c(c(c1)OC)O)OC 271570a_203496583355_100000216665 [0,2,0,0,0,0|0,0,0]=2 4766 B15R1.383 COC(=O)c1cc(c(c(c1)SC)N)OC 62a_100010236038_200000210301 [0,2,0,0,0,0|1,0,0]=3 4767 B15R1.383 COC(=O)c1cc(c(c(c1)SC)N)OC 62a_200000210301_100010236038 [0,2,0,0,0,0|1,0,0]=3 4768 B15R1.383 COC(=O)c1cc(c(c(c1)SC)O)C=O 62a_200000210301_100010724619 [0,2,0,0,0,0|0,1,0]=3 4769 B15R1.383 COC(=O)c1cc(c(c(c1)SC)O)OC 62a_200000210301_200009811556 [0,2,0,0,0,0|0,0,0]=2 4770 B15R1.383 COC(=O)c1cc(c(c(c1)S[13CH3])N)OC 62a_100010236038_200025704644 [0,2,0,0,0,0|1,0,0]=3 4771 B15R1.383 COC(=O)c1cc(c(c(c1)S[13CH3])N)OC 62a_200025704644_100010236038 [0,2,0,0,0,0|1,0,0]=3 4772 B15R1.383 COC(=O)c1cc(c(c(c1)S[13CH3])O)C=O 62a_200025704644_100010724619 [0,2,0,0,0,0|0,1,0]=3 4773 B15R1.383 COC(=O)c1cc(c(c(c1)S[13CH3])O)OC 62a_200025704644_200009811556 [0,2,0,0,0,0|0,0,0]=2 4774 B15R1.383 COc1cc(cc(c1O)OC)C(=O)CF 1458a_100000692901_100015361967 [0,2,0,0,0,0|2,0,0]=4 4775 B15R1.680 CCC(=O)c1cc(c(c(c1Cl)Cl)O)OC 1458a_200000065980_100000210202 [0,2,0,0,0,0|1,0,0]=3 4776 B15R1.680 CCC(=O)c1cc(c(c(c1F)F)F)OC 1458a_100010253075_100000210202 [0,2,0,0,0,0|2,0,0]=4 4777 B15R1.680 CNC(=O)c1cc(c(c(c1Cl)Cl)O)OC 240690a_100102657272_200000065980 [0,2,0,0,0,0|1,0,0]=3 4778 B15R1.680 CNC(=O)c1cc(c(c(c1F)F)F)OC 11a_106832991635_100010253075 [0,2,0,0,0,0|2,0,0]=4 4779 B15R1.680 CNC(=O)c1cc(c(c(c1F)F)F)OC 1626a_100102657272_100010253075 [0,2,0,0,0,0|2,0,0]=4 4780 B15R1.680 CNC(=O)c1cc(c(c(c1F)F)F)OC 240690a_100102657272_100010253075 [0,2,0,0,0,0|2,0,0]=4 4781 B15R1.680 CNC(=O)c1cc(c(c(c1F)F)F)OC 527a_100102657272_100010253075 [0,2,0,0,0,0|2,0,0]=4 4782 B15R1.680 COC(=O)c1cc(c(c(c1F)F)F)SC 62a_100010167422_200000210301 [0,2,0,0,0,0|1,1,0]=4 4783 B15R1.680 COC(=O)c1cc(c(c(c1F)F)F)SC 62a_200000210301_100010167422 [0,2,0,0,0,0|1,1,0]=4 4784 B15R1.680 COC(=O)c1cc(c(c(c1F)F)F)S[13CH3] 62a_100010167422_200025704644 [0,2,0,0,0,0|1,1,0]=4 4785 B15R1.680 COC(=O)c1cc(c(c(c1F)F)F)S[13CH3] 62a_200025704644_100010167422 [0,2,0,0,0,0|1,1,0]=4 4786 B15R1.680 COc1cc(c(c(c1O)Cl)Cl)C(=O)CF 1458a_200000065980_100015361967 [0,2,0,0,0,0|2,0,0]=4 4787 B15R1.3628 C=C=Cc1cc(cc(c1O)Cl)C(=O)OC 271570a_100015277604_100135280131 [0,2,0,0,0,0|1,0,1]=4 4788 B15R1.3628 C=C=Cc1cc(cc(c1O)N)C(=O)OC 271570a_100015277604_100010372079 [0,2,0,0,0,0|1,0,1]=4 4789 B15R1.3628 CC=Cc1cc(cc(c1C)Cl)C(=O)OC 271570a_100016259895_100012360618 [0,2,0,0,0,0|2,0,0]=4 4790 B15R1.3628 CC=Cc1cc(cc(c1C)F)C(=O)OC 271570a_100016259895_100012920391 [0,2,0,0,0,0|2,0,0]=4 4791 B15R1.3628 CC=Cc1cc(cc(c1C)N)C(=O)OC 271570a_100016259895_100012353609 [0,2,0,0,0,0|2,0,0]=4 4792 B15R1.3628 CC=Cc1cc(cc(c1F)F)C(=O)OC 271570a_100016259895_100010189562 [0,2,0,0,0,0|2,0,0]=4 4793 B15R1.3628 CC=Cc1cc(cc(c1F)N)C(=O)OC 271570a_100016259895_200010713629 [0,2,0,0,0,0|2,0,0]=4 4794 B15R1.3628 CC=Cc1cc(cc(c1N)C)C(=O)OC 271570a_100016259895_100010177015 [0,2,0,0,0,0|2,0,0]=4 4795 B15R1.3628 CC=Cc1cc(cc(c1N)F)C(=O)OC 271570a_100016259895_100010170820 [0,2,0,0,0,0|2,0,0]=4 4796 B15R1.3628 CC=Cc1cc(cc(c1N)N)C(=O)OC 271570a_100016259895_100010128412 [0,2,0,0,0,0|2,0,0]=4 4797 B15R1.3628 CC=Cc1cc(cc(c1O)Cl)C(=O)OC 271570a_100016259895_100135280131 [0,2,0,0,0,0|1,0,0]=3 4798 B15R1.3628 CC=Cc1cc(cc(c1O)N)C(=O)OC 271570a_100016259895_100010372079 [0,2,0,0,0,0|1,0,0]=3 4799 B15R1.3628 CCOc1cc(cc(c1C)F)C(=O)OC 34a_100000101006_100000210202 [0,2,0,0,0,0|1,0,0]=3 4800 B15R1.3628 CCOc1cc(cc(c1C)F)C(=O)OC 7a_100000101006_100000210202 [0,2,0,0,0,0|1,0,0]=3 4801 B15R1.3628 CCOc1cc(cc(c1Cl)Br)C(=O)OC 34a_200020639753_100000210202 [0,2,0,0,0,0|1,0,0]=3 4802 B15R1.3628 CCOc1cc(cc(c1Cl)Br)C(=O)OC 7a_200020639753_100000210202 [0,2,0,0,0,0|1,0,0]=3 4803 B15R1.3628 CCOc1cc(cc(c1O)Cl)C(=O)CC 1458a_100000010658_100000210202 [0,2,0,0,0,0|1,0,0]=3 4804 B15R1.3628 CCOc1cc(cc(c1O)Cl)C(=O)CF 1458a_100000010658_100015361967 [0,2,0,0,0,0|2,0,0]=4 4805 B15R1.3628 CCOc1cc(cc(c1O)Cl)C(=O)NC 240690a_100102657272_100000010658 [0,2,0,0,0,0|1,0,0]=3 4806 B15R1.3628 CCSc1cc(cc(c1C)Cl)C(=O)OC 62a_100000210202_100012360618 [0,2,0,0,0,0|1,1,0]=4 4807 B15R1.3628 CCSc1cc(cc(c1C)Cl)C(=O)OC 62a_100012360618_100000210202 [0,2,0,0,0,0|1,1,0]=4 4808 B15R1.3628 CCSc1cc(cc(c1C)F)C(=O)OC 62a_100000210202_100012920391 [0,2,0,0,0,0|1,1,0]=4 4809 B15R1.3628 CCSc1cc(cc(c1C)F)C(=O)OC 62a_100012920391_100000210202 [0,2,0,0,0,0|1,1,0]=4 4810 B15R1.3628 CCSc1cc(cc(c1C)N)C(=O)OC 62a_100000210202_100012353609 [0,2,0,0,0,0|1,1,0]=4 4811 B15R1.3628 CCSc1cc(cc(c1C)N)C(=O)OC 62a_100012353609_100000210202 [0,2,0,0,0,0|1,1,0]=4 4812 B15R1.3628 CCSc1cc(cc(c1F)F)C(=O)OC 62a_100000210202_100010189562 [0,2,0,0,0,0|1,1,0]=4 4813 B15R1.3628 CCSc1cc(cc(c1F)F)C(=O)OC 62a_100010189562_100000210202 [0,2,0,0,0,0|1,1,0]=4 4814 B15R1.3628 CCSc1cc(cc(c1F)N)C(=O)OC 62a_100000210202_200010713629 [0,2,0,0,0,0|1,1,0]=4 4815 B15R1.3628 CCSc1cc(cc(c1F)N)C(=O)OC 62a_200010713629_100000210202 [0,2,0,0,0,0|1,1,0]=4 4816 B15R1.3628 CCSc1cc(cc(c1N)C)C(=O)OC 62a_100000210202_100010177015 [0,2,0,0,0,0|1,1,0]=4 4817 B15R1.3628 CCSc1cc(cc(c1N)C)C(=O)OC 62a_100010177015_100000210202 [0,2,0,0,0,0|1,1,0]=4 4818 B15R1.3628 CCSc1cc(cc(c1N)F)C(=O)OC 62a_100000210202_100010170820 [0,2,0,0,0,0|1,1,0]=4 4819 B15R1.3628 CCSc1cc(cc(c1N)F)C(=O)OC 62a_100010170820_100000210202 [0,2,0,0,0,0|1,1,0]=4 4820 B15R1.3628 CCSc1cc(cc(c1N)N)C(=O)OC 62a_100010128412_100000210202 [0,2,0,0,0,0|1,1,0]=4 4821 B15R1.3628 CCSc1cc(cc(c1O)Cl)C(=O)OC 62a_100000210202_100135280131 [0,2,0,0,0,0|0,1,0]=3 4822 B15R1.3628 CCSc1cc(cc(c1O)Cl)C(=O)OC 62a_100135280131_100000210202 [0,2,0,0,0,0|0,1,0]=3 4823 B15R1.3628 CCSc1cc(cc(c1O)N)C(=O)OC 62a_100000210202_100010372079 [0,2,0,0,0,0|0,1,0]=3 4824 B15R1.3628 CCSc1cc(cc(c1O)N)C(=O)OC 62a_100010372079_100000210202 [0,2,0,0,0,0|0,1,0]=3 4825 B15R1.3628 CNCc1cc(cc(c1Cl)Br)C(=O)OC 26a_100102657272_200020639753 [0,2,0,0,0,0|2,0,0]=4 4826 B15R1.3628 COC(=O)c1cc(c(c(c1)OCF)C)F 34a_100000101006_100015361967 [0,2,0,0,0,0|1,0,0]=3 4827 B15R1.3628 COC(=O)c1cc(c(c(c1)OCF)C)F 7a_100000101006_100015361967 [0,2,0,0,0,0|1,0,0]=3 4828 B15R1.3628 COC(=O)c1cc(c(c(c1)OCF)Cl)Br 34a_200020639753_100015361967 [0,2,0,0,0,0|1,0,0]=3 4829 B15R1.3628 COC(=O)c1cc(c(c(c1)OCF)Cl)Br 7a_200020639753_100015361967 [0,2,0,0,0,0|1,0,0]=3 4830 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)C)Cl 62a_100012360618_100015361967 [0,2,0,0,0,0|1,1,0]=4 4831 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)C)Cl 62a_100015361967_100012360618 [0,2,0,0,0,0|1,1,0]=4 4832 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)C)F 62a_100012920391_100015361967 [0,2,0,0,0,0|1,1,0]=4 4833 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)C)F 62a_100015361967_100012920391 [0,2,0,0,0,0|1,1,0]=4 4834 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)C)N 62a_100012353609_100015361967 [0,2,0,0,0,0|1,1,0]=4 4835 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)C)N 62a_100015361967_100012353609 [0,2,0,0,0,0|1,1,0]=4 4836 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)F)F 62a_100010189562_100015361967 [0,2,0,0,0,0|1,1,0]=4 4837 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)F)F 62a_100015361967_100010189562 [0,2,0,0,0,0|1,1,0]=4 4838 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)F)N 62a_100015361967_200010713629 [0,2,0,0,0,0|1,1,0]=4 4839 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)F)N 62a_200010713629_100015361967 [0,2,0,0,0,0|1,1,0]=4 4840 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)N)C 62a_100010177015_100015361967 [0,2,0,0,0,0|1,1,0]=4 4841 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)N)C 62a_100015361967_100010177015 [0,2,0,0,0,0|1,1,0]=4 4842 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)N)F 62a_100010170820_100015361967 [0,2,0,0,0,0|1,1,0]=4 4843 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)N)F 62a_100015361967_100010170820 [0,2,0,0,0,0|1,1,0]=4 4844 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)N)N 62a_100010128412_100015361967 [0,2,0,0,0,0|1,1,0]=4 4845 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)O)Cl 62a_100015361967_100135280131 [0,2,0,0,0,0|0,1,0]=3 4846 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)O)Cl 62a_100135280131_100015361967 [0,2,0,0,0,0|0,1,0]=3 4847 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)O)N 62a_100010372079_100015361967 [0,2,0,0,0,0|0,1,0]=3 4848 B15R1.3628 COC(=O)c1cc(c(c(c1)SCF)O)N 62a_100015361967_100010372079 [0,2,0,0,0,0|0,1,0]=3 4849 B15R1.13367 C=C(C)c1cc(cc(c1C)Cl)C(=O)OC 271570a_100000694244_100012360618 [0,2,0,0,0,0|2,0,0]=4 4850 B15R1.13367 C=C(C)c1cc(cc(c1C)F)C(=O)OC 271570a_100000694244_100012920391 [0,2,0,0,0,0|2,0,0]=4 4851 B15R1.13367 C=C(C)c1cc(cc(c1C)N)C(=O)OC 271570a_100000694244_100012353609 [0,2,0,0,0,0|2,0,0]=4 4852 B15R1.13367 C=C(C)c1cc(cc(c1F)F)C(=O)OC 271570a_100000694244_100010189562 [0,2,0,0,0,0|2,0,0]=4 4853 B15R1.13367 C=C(C)c1cc(cc(c1F)N)C(=O)OC 271570a_100000694244_200010713629 [0,2,0,0,0,0|2,0,0]=4 4854 B15R1.13367 C=C(C)c1cc(cc(c1N)C)C(=O)OC 271570a_100000694244_100010177015 [0,2,0,0,0,0|2,0,0]=4 4855 B15R1.13367 C=C(C)c1cc(cc(c1N)F)C(=O)OC 271570a_100000694244_100010170820 [0,2,0,0,0,0|2,0,0]=4 4856 B15R1.13367 C=C(C)c1cc(cc(c1N)N)C(=O)OC 271570a_100000694244_100010128412 [0,2,0,0,0,0|2,0,0]=4 4857 B15R1.13367 C=C(C)c1cc(cc(c1O)Cl)C(=O)OC 271570a_100000694244_100135280131 [0,2,0,0,0,0|1,0,0]=3 4858 B15R1.13367 C=C(C)c1cc(cc(c1O)N)C(=O)OC 271570a_100000694244_100010372079 [0,2,0,0,0,0|1,0,0]=3 4859 B15R1.20147 CCC(=O)c1cc(c(c(c1F)OC)F)F 1458a_100000033988_100000210202 [0,2,0,0,0,0|2,0,0]=4 4860 B15R1.20147 CNC(=O)c1cc(c(c(c1F)OC)F)F 11a_106832991635_100000033988 [0,2,0,0,0,0|2,0,0]=4 4861 B15R1.20147 CNC(=O)c1cc(c(c(c1F)OC)F)F 1626a_100102657272_100000033988 [0,2,0,0,0,0|2,0,0]=4 4862 B15R1.20147 CNC(=O)c1cc(c(c(c1F)OC)F)F 240690a_100102657272_100000033988 [0,2,0,0,0,0|2,0,0]=4 4863 B15R1.20147 CNC(=O)c1cc(c(c(c1F)OC)F)F 527a_100102657272_100000033988 [0,2,0,0,0,0|2,0,0]=4 4864 B15R1.20147 COC(=O)c1cc(c(c(c1F)OC)F)F 34a_200011302604_200000210301 [0,2,0,0,0,0|1,0,0]=3 4865 B15R1.20147 COC(=O)c1cc(c(c(c1F)OC)F)F 7a_200011302604_200000210301 [0,2,0,0,0,0|1,0,0]=3 4866 B15R1.20147 COC(=O)c1cc(c(c(c1F)O[13CH3])F)F 34a_200011302604_200025704644 [0,2,0,0,0,0|1,0,0]=3 4867 B15R1.20147 COC(=O)c1cc(c(c(c1F)O[13CH3])F)F 7a_200011302604_200025704644 [0,2,0,0,0,0|1,0,0]=3 4868 B15R1.20147 COC(=O)c1cc(c(c(c1F)SC)F)F 62a_100010238687_200000210301 [0,2,0,0,0,0|1,1,0]=4 4869 B15R1.20147 COC(=O)c1cc(c(c(c1F)SC)F)F 62a_200000210301_100010238687 [0,2,0,0,0,0|1,1,0]=4 4870 B15R1.20147 COC(=O)c1cc(c(c(c1F)S[13CH3])F)F 62a_100010238687_200025704644 [0,2,0,0,0,0|1,1,0]=4 4871 B15R1.20147 COC(=O)c1cc(c(c(c1F)S[13CH3])F)F 62a_200025704644_100010238687 [0,2,0,0,0,0|1,1,0]=4 4872 B15R1.36497 C#CCC(=O)c1cc(c(c(c1)OC)O)Cl 1458a_100000209947_100000184674 [0,2,0,0,0,0|1,0,1]=4 4873 B15R1.36497 C#CCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000184674 [0,2,0,0,0,0|1,0,1]=4 4874 B15R1.36497 C=CCC(=O)c1cc(c(c(c1)OC)O)Cl 1458a_100000209947_100000210623 [0,2,0,0,0,0|1,0,1]=4 4875 B15R1.36497 C=CCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000210623 [0,2,0,0,0,0|1,0,1]=4 4876 B15R1.36497 CCCC(=O)c1cc(c(c(c1)OC)Cl)Br 1458a_100020639751_100000210303 [0,2,0,0,0,0|2,0,0]=4 4877 B15R1.36497 CCCC(=O)c1cc(c(c(c1)OC)F)F 1458a_100000081826_100000210303 [0,2,0,0,0,0|2,0,0]=4 4878 B15R1.36497 CCCC(=O)c1cc(c(c(c1)OC)O)Cl 1458a_100000209947_100000210303 [0,2,0,0,0,0|1,0,0]=3 4879 B15R1.36497 CCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000210303 [0,2,0,0,0,0|1,0,0]=3 4880 B15R1.36497 CCNC(=O)c1cc(c(c(c1)OC)Cl)Br 11a_100015525214_100020639751 [0,2,0,0,0,0|2,0,0]=4 4881 B15R1.36497 CCNC(=O)c1cc(c(c(c1)OC)Cl)Br 240690a_100015525214_100020639751 [0,2,0,0,0,0|2,0,0]=4 4882 B15R1.36497 CCNC(=O)c1cc(c(c(c1)OC)Cl)Br 527a_100015525214_100020639751 [0,2,0,0,0,0|2,0,0]=4 4883 B15R1.36497 CCNC(=O)c1cc(c(c(c1)OC)F)F 11a_100015525214_100000081826 [0,2,0,0,0,0|2,0,0]=4 4884 B15R1.36497 CCNC(=O)c1cc(c(c(c1)OC)F)F 240690a_100015525214_100000081826 [0,2,0,0,0,0|2,0,0]=4 4885 B15R1.36497 CCNC(=O)c1cc(c(c(c1)OC)F)F 527a_100015525214_100000081826 [0,2,0,0,0,0|2,0,0]=4 4886 B15R1.36497 CCNC(=O)c1cc(c(c(c1)OC)O)Cl 240690a_100015525214_100000209947 [0,2,0,0,0,0|1,0,0]=3 4887 B15R1.36497 CCOC(=O)c1cc(c(c(c1)SC)N)Br 62a_100009816177_200000210301 [0,2,0,0,0,0|1,1,0]=4 4888 B15R1.36497 CCOC(=O)c1cc(c(c(c1)SC)N)Br 62a_200000210301_100009816177 [0,2,0,0,0,0|1,1,0]=4 4889 B15R1.36497 CCOC(=O)c1cc(c(c(c1)SC)N)C 62a_100010073787_200000210301 [0,2,0,0,0,0|1,1,0]=4 4890 B15R1.36497 CCOC(=O)c1cc(c(c(c1)SC)N)C 62a_200000210301_100010073787 [0,2,0,0,0,0|1,1,0]=4 4891 B15R1.36497 CCOC(=O)c1cc(c(c(c1)S[13CH3])N)Br 62a_100009816177_200025704644 [0,2,0,0,0,0|1,1,0]=4 4892 B15R1.36497 CCOC(=O)c1cc(c(c(c1)S[13CH3])N)Br 62a_200025704644_100009816177 [0,2,0,0,0,0|1,1,0]=4 4893 B15R1.36497 CCOC(=O)c1cc(c(c(c1)S[13CH3])N)C 62a_100010073787_200025704644 [0,2,0,0,0,0|1,1,0]=4 4894 B15R1.36497 CCOC(=O)c1cc(c(c(c1)S[13CH3])N)C 62a_200025704644_100010073787 [0,2,0,0,0,0|1,1,0]=4 4895 B15R1.36497 CNNC(=O)c1cc(c(c(c1)OC)Cl)Br 22a_100016993582_100020639751 [0,2,0,0,0,0|2,0,0]=4 4896 B15R1.36497 CNNC(=O)c1cc(c(c(c1)OC)F)F 22a_100016993582_100000081826 [0,2,0,0,0,0|2,0,0]=4 4897 B15R1.36497 CNNC(=O)c1cc(c(c(c1)OC)O)Cl 22a_100016993582_100000209947 [0,2,0,0,0,0|1,0,0]=3 4898 B15R1.36497 CNNC(=O)c1cc(c(c(c1)OC)O)O 22a_100016993582_100000061230 [0,2,0,0,0,0|1,0,0]=3 4899 B15R1.36497 COc1cc(cc(c1Cl)Br)C(=O)CCF 1458a_100020639751_100011217306 [0,2,0,0,0,0|2,0,0]=4 4900 B15R1.36497 COc1cc(cc(c1Cl)Br)C(=O)CCO 1458a_100020639751_100000211926 [0,2,0,0,0,0|2,0,0]=4 4901 B15R1.36497 COc1cc(cc(c1F)F)C(=O)CCF 1458a_100000081826_100011217306 [0,2,0,0,0,0|2,0,0]=4 4902 B15R1.36497 COc1cc(cc(c1F)F)C(=O)CCO 1458a_100000081826_100000211926 [0,2,0,0,0,0|2,0,0]=4 4903 B15R1.36497 COc1cc(cc(c1O)Cl)C(=O)CC#N 1458a_100000209947_100011214920 [0,2,0,0,0,0|1,0,1]=4 4904 B15R1.36497 COc1cc(cc(c1O)Cl)C(=O)CCF 1458a_100000209947_100011217306 [0,2,0,0,0,0|1,0,0]=3 4905 B15R1.36497 COc1cc(cc(c1O)Cl)C(=O)CCO 1458a_100000209947_100000211926 [0,2,0,0,0,0|1,0,0]=3 4906 B15R1.36497 COc1cc(cc(c1O)O)C(=O)CC#N 1458a_100000061230_100011214920 [0,2,0,0,0,0|1,0,1]=4 4907 B15R1.36497 COc1cc(cc(c1O)O)C(=O)CCF 1458a_100000061230_100011217306 [0,2,0,0,0,0|1,0,0]=3 4908 B15R1.36497 COc1cc(cc(c1O)O)C(=O)CCO 1458a_100000061230_100000211926 [0,2,0,0,0,0|1,0,0]=3 4909 B15R1.991 CCC(=O)c1ccc(c(c1)OC(C)C)C 1458a_200011466257_100000210202 [0,2,0,0,0,0|2,0,0]=4 4910 B15R1.991 CCC(=O)c1ccc(c(c1)OC(C)C)Cl 1458a_100010138842_100000210202 [0,2,0,0,0,0|2,0,0]=4 4911 B15R1.991 CCC(=O)c1ccc(c(c1)OC(C)C)F 1458a_200015858872_100000210202 [0,2,0,0,0,0|2,0,0]=4 4912 B15R1.991 CNC(=O)c1ccc(c(c1)NC(=O)C)O 240690a_100102657272_100011219828 [0,2,0,0,0,0|2,0,0]=4 4913 B15R1.991 CNC(=O)c1ccc(c(c1)OC(C)C)C 11a_106832991635_200011466257 [0,2,0,0,0,0|2,0,0]=4 4914 B15R1.991 CNC(=O)c1ccc(c(c1)OC(C)C)C 1626a_100102657272_200011466257 [0,2,0,0,0,0|2,0,0]=4 4915 B15R1.991 CNC(=O)c1ccc(c(c1)OC(C)C)C 240690a_100102657272_200011466257 [0,2,0,0,0,0|2,0,0]=4 4916 B15R1.991 CNC(=O)c1ccc(c(c1)OC(C)C)C 527a_100102657272_200011466257 [0,2,0,0,0,0|2,0,0]=4 4917 B15R1.991 CNC(=O)c1ccc(c(c1)OC(C)C)Cl 11a_106832991635_100010138842 [0,2,0,0,0,0|2,0,0]=4 4918 B15R1.991 CNC(=O)c1ccc(c(c1)OC(C)C)Cl 1626a_100102657272_100010138842 [0,2,0,0,0,0|2,0,0]=4 4919 B15R1.991 CNC(=O)c1ccc(c(c1)OC(C)C)Cl 240690a_100102657272_100010138842 [0,2,0,0,0,0|2,0,0]=4 4920 B15R1.991 CNC(=O)c1ccc(c(c1)OC(C)C)Cl 527a_100102657272_100010138842 [0,2,0,0,0,0|2,0,0]=4 4921 B15R1.991 CNC(=O)c1ccc(c(c1)OC(C)C)F 11a_106832991635_200015858872 [0,2,0,0,0,0|2,0,0]=4 4922 B15R1.991 CNC(=O)c1ccc(c(c1)OC(C)C)F 1626a_100102657272_200015858872 [0,2,0,0,0,0|2,0,0]=4 4923 B15R1.991 CNC(=O)c1ccc(c(c1)OC(C)C)F 240690a_100102657272_200015858872 [0,2,0,0,0,0|2,0,0]=4 4924 B15R1.991 CNC(=O)c1ccc(c(c1)OC(C)C)F 527a_100102657272_200015858872 [0,2,0,0,0,0|2,0,0]=4 4925 B15R1.991 COC(=O)c1ccc(c(c1)C=C(C)C)Br 271570a_100102525489_100012349818 [0,2,0,0,0,0|2,0,0]=4 4926 B15R1.991 COC(=O)c1ccc(c(c1)C=C(C)C)C 271570a_100102525489_100011218856 [0,2,0,0,0,0|2,0,0]=4 4927 B15R1.991 COC(=O)c1ccc(c(c1)C=C(C)C)Cl 271570a_100102525489_100011294800 [0,2,0,0,0,0|2,0,0]=4 4928 B15R1.991 COC(=O)c1ccc(c(c1)C=C(C)C)F 271570a_100102525489_100000722584 [0,2,0,0,0,0|2,0,0]=4 4929 B15R1.991 COC(=O)c1ccc(c(c1)C=C(C)C)N 271570a_100102525489_100000187552 [0,2,0,0,0,0|2,0,0]=4 4930 B15R1.991 COC(=O)c1ccc(c(c1)C=C(C)C)O 271570a_100102525489_100000216328 [0,2,0,0,0,0|1,0,0]=3 4931 B15R1.991 COC(=O)c1ccc(c(c1)CC(=O)C)Br 1458a_100000070787_100012232407 [0,2,0,0,0,0|2,0,0]=4 4932 B15R1.991 COC(=O)c1ccc(c(c1)CC(=O)C)Cl 1458a_100000070787_100000698984 [0,2,0,0,0,0|2,0,0]=4 4933 B15R1.991 COC(=O)c1ccc(c(c1)CN(C)C)Br 2230a_100102631434_100012232407 [0,2,0,0,0,0|2,0,0]=4 4934 B15R1.991 COC(=O)c1ccc(c(c1)CN(C)C)Br 269982a_100102631434_100012232407 [0,2,0,0,0,0|2,0,0]=4 4935 B15R1.991 COC(=O)c1ccc(c(c1)CN(C)C)Br 270004a_100102631434_100012274322 [0,2,0,0,0,0|2,0,0]=4 4936 B15R1.991 COC(=O)c1ccc(c(c1)CN(C)C)C 270004a_100102631434_100010624047 [0,2,0,0,0,0|2,0,0]=4 4937 B15R1.991 COC(=O)c1ccc(c(c1)CN(C)C)Cl 2230a_100102631434_100000698984 [0,2,0,0,0,0|2,0,0]=4 4938 B15R1.991 COC(=O)c1ccc(c(c1)CN(C)C)Cl 269982a_100102631434_100000698984 [0,2,0,0,0,0|2,0,0]=4 4939 B15R1.991 COC(=O)c1ccc(c(c1)CN(C)C)Cl 270004a_100102631434_100000725138 [0,2,0,0,0,0|2,0,0]=4 4940 B15R1.991 COC(=O)c1ccc(c(c1)NC(=O)C)Br 188690a_100011450966_100015343762 [0,2,0,0,0,0|2,0,0]=4 4941 B15R1.991 COC(=O)c1ccc(c(c1)NC(=O)C)C 188690a_100000742527_100015343762 [0,2,0,0,0,0|2,0,0]=4 4942 B15R1.991 COC(=O)c1ccc(c(c1)NC(=O)C)F 188690a_100000735820_100015343762 [0,2,0,0,0,0|2,0,0]=4 4943 B15R1.991 COC(=O)c1ccc(c(c1)NC(=O)C)O 188690a_100000724433_100015343762 [0,2,0,0,0,0|1,0,0]=3 4944 B15R1.991 COC(=O)c1ccc(c(c1)OC(C)C)Br 34a_100011934688_100000210206 [0,2,0,0,0,0|1,0,0]=3 4945 B15R1.991 COC(=O)c1ccc(c(c1)OC(C)C)Br 7a_100011934688_100000210206 [0,2,0,0,0,0|1,0,0]=3 4946 B15R1.991 COC(=O)c1ccc(c(c1)OC(C)C)C 34a_100000736511_100000210206 [0,2,0,0,0,0|1,0,0]=3 4947 B15R1.991 COC(=O)c1ccc(c(c1)OC(C)C)C 7a_100000736511_100000210206 [0,2,0,0,0,0|1,0,0]=3 4948 B15R1.991 COC(=O)c1ccc(c(c1)OC(C)C)Cl 34a_100000103815_100000210206 [0,2,0,0,0,0|1,0,0]=3 4949 B15R1.991 COC(=O)c1ccc(c(c1)OC(C)C)Cl 7a_100000103815_100000210206 [0,2,0,0,0,0|1,0,0]=3 4950 B15R1.991 COC(=O)c1ccc(c(c1)OC(C)C)F 34a_100000062259_100000210206 [0,2,0,0,0,0|1,0,0]=3 4951 B15R1.991 COC(=O)c1ccc(c(c1)OC(C)C)F 7a_100000062259_100000210206 [0,2,0,0,0,0|1,0,0]=3 4952 B15R1.991 COC(=O)c1ccc(c(c1)OC(C)C)I 34a_100012350776_100000210206 [0,2,0,0,0,0|1,0,0]=3 4953 B15R1.991 COC(=O)c1ccc(c(c1)OC(C)C)I 7a_100012350776_100000210206 [0,2,0,0,0,0|1,0,0]=3 4954 B15R1.991 COC(=O)c1ccc(c(c1)OC(C)C)N 34a_100000757247_100000210206 [0,2,0,0,0,0|1,0,0]=3 4955 B15R1.991 COC(=O)c1ccc(c(c1)OC(C)C)N 7a_100000757247_100000210206 [0,2,0,0,0,0|1,0,0]=3 4956 B15R1.991 COC(=O)c1ccc(c(c1)OC(F)F)O 271570a_203496583355_100020588217 [0,2,0,0,0,0|0,0,0]=2 4957 B15R1.991 COC(=O)c1ccc(c(c1)SC(C)C)Br 62a_100000210206_100012349818 [0,2,0,0,0,0|1,1,0]=4 4958 B15R1.991 COC(=O)c1ccc(c(c1)SC(C)C)Br 62a_100012349818_100000210206 [0,2,0,0,0,0|1,1,0]=4 4959 B15R1.991 COC(=O)c1ccc(c(c1)SC(C)C)C 62a_100000210206_100000723194 [0,2,0,0,0,0|1,1,0]=4 4960 B15R1.991 COC(=O)c1ccc(c(c1)SC(C)C)C 62a_100000723194_100000210206 [0,2,0,0,0,0|1,1,0]=4 4961 B15R1.991 COC(=O)c1ccc(c(c1)SC(C)C)Cl 62a_100000210206_100011294800 [0,2,0,0,0,0|1,1,0]=4 4962 B15R1.991 COC(=O)c1ccc(c(c1)SC(C)C)Cl 62a_100011294800_100000210206 [0,2,0,0,0,0|1,1,0]=4 4963 B15R1.991 COC(=O)c1ccc(c(c1)SC(C)C)F 62a_100000210206_100000722584 [0,2,0,0,0,0|1,1,0]=4 4964 B15R1.991 COC(=O)c1ccc(c(c1)SC(C)C)F 62a_100000722584_100000210206 [0,2,0,0,0,0|1,1,0]=4 4965 B15R1.991 COC(=O)c1ccc(c(c1)SC(C)C)N 62a_100000187552_100000210206 [0,2,0,0,0,0|1,1,0]=4 4966 B15R1.991 COC(=O)c1ccc(c(c1)SC(C)C)N 62a_100000210206_100000187552 [0,2,0,0,0,0|1,1,0]=4 4967 B15R1.991 COC(=O)c1ccc(c(c1)SC(C)C)O 62a_100000210206_100000216328 [0,2,0,0,0,0|0,1,0]=3 4968 B15R1.991 COC(=O)c1ccc(c(c1)SC(C)C)O 62a_100000216328_100000210206 [0,2,0,0,0,0|0,1,0]=3 4969 B15R1.991 COC(=O)c1ccc(c(n1)C=C(C)C)O 271570a_100102525489_200009815348 [0,2,0,0,0,0|2,0,0]=4 4970 B15R1.991 COC(=O)c1ccc(c(n1)SC(C)C)O 62a_100000210206_200009815348 [0,2,0,0,0,0|1,1,0]=4 4971 B15R1.991 COC(=O)c1ccc(c(n1)SC(C)C)O 62a_200009815348_100000210206 [0,2,0,0,0,0|1,1,0]=4 4972 B15R1.991 COC(=O)c1cnc(c(c1)C=C(C)C)O 271570a_100102525489_100010109663 [0,2,0,0,0,0|2,0,0]=4 4973 B15R1.991 COC(=O)c1cnc(c(c1)OC(C)C)Cl 34a_100009840551_100000210206 [0,2,0,0,0,0|2,0,0]=4 4974 B15R1.991 COC(=O)c1cnc(c(c1)OC(C)C)Cl 7a_100009840551_100000210206 [0,2,0,0,0,0|2,0,0]=4 4975 B15R1.991 COC(=O)c1cnc(c(c1)OC(C)C)I 34a_100010999399_100000210206 [0,2,0,0,0,0|2,0,0]=4 4976 B15R1.991 COC(=O)c1cnc(c(c1)OC(C)C)I 7a_100010999399_100000210206 [0,2,0,0,0,0|2,0,0]=4 4977 B15R1.991 COC(=O)c1cnc(c(c1)OC(C)C)N 34a_100009857207_100000210206 [0,2,0,0,0,0|2,0,0]=4 4978 B15R1.991 COC(=O)c1cnc(c(c1)OC(C)C)N 7a_100009857207_100000210206 [0,2,0,0,0,0|2,0,0]=4 4979 B15R1.991 COC(=O)c1cnc(c(c1)SC(C)C)O 62a_100000210206_100010109663 [0,2,0,0,0,0|1,1,0]=4 4980 B15R1.991 COC(=O)c1cnc(c(c1)SC(C)C)O 62a_100010109663_100000210206 [0,2,0,0,0,0|1,1,0]=4 4981 B15R1.1003 C#CCOc1cc(ccc1Br)C(=O)OC 34a_100011934688_100000184674 [0,2,0,0,0,0|1,0,0]=3 4982 B15R1.1003 C#CCOc1cc(ccc1Br)C(=O)OC 7a_100011934688_100000038162 [0,2,0,0,0,0|1,0,0]=3 4983 B15R1.1003 C#CCOc1cc(ccc1C)C(=O)OC 34a_100000736511_100000184674 [0,2,0,0,0,0|1,0,0]=3 4984 B15R1.1003 C#CCOc1cc(ccc1C)C(=O)OC 7a_100000736511_100000038162 [0,2,0,0,0,0|1,0,0]=3 4985 B15R1.1003 C#CCOc1cc(ccc1Cl)C(=O)OC 34a_100000103815_100000184674 [0,2,0,0,0,0|1,0,0]=3 4986 B15R1.1003 C#CCOc1cc(ccc1Cl)C(=O)OC 7a_100000103815_100000038162 [0,2,0,0,0,0|1,0,0]=3 4987 B15R1.1003 C#CCOc1cc(ccc1F)C(=O)OC 34a_100000062259_100000184674 [0,2,0,0,0,0|1,0,0]=3 4988 B15R1.1003 C#CCOc1cc(ccc1F)C(=O)OC 7a_100000062259_100000038162 [0,2,0,0,0,0|1,0,0]=3 4989 B15R1.1003 C#CCOc1cc(ccc1I)C(=O)OC 34a_100012350776_100000184674 [0,2,0,0,0,0|1,0,0]=3 4990 B15R1.1003 C#CCOc1cc(ccc1I)C(=O)OC 7a_100012350776_100000038162 [0,2,0,0,0,0|1,0,0]=3 4991 B15R1.1003 C#CCOc1cc(ccc1N)C(=O)OC 34a_100000757247_100000184674 [0,2,0,0,0,0|1,0,0]=3 4992 B15R1.1003 C#CCOc1cc(ccc1N)C(=O)OC 7a_100000757247_100000038162 [0,2,0,0,0,0|1,0,0]=3 4993 B15R1.1003 C#CCOc1cc(cnc1Cl)C(=O)OC 34a_100009840551_100000184674 [0,2,0,0,0,0|2,0,0]=4 4994 B15R1.1003 C#CCOc1cc(cnc1Cl)C(=O)OC 7a_100009840551_100000038162 [0,2,0,0,0,0|2,0,0]=4 4995 B15R1.1003 C#CCOc1cc(cnc1I)C(=O)OC 34a_100010999399_100000184674 [0,2,0,0,0,0|2,0,0]=4 4996 B15R1.1003 C#CCOc1cc(cnc1I)C(=O)OC 7a_100010999399_100000038162 [0,2,0,0,0,0|2,0,0]=4 4997 B15R1.1003 C#CCOc1cc(cnc1N)C(=O)OC 34a_100009857207_100000184674 [0,2,0,0,0,0|2,0,0]=4 4998 B15R1.1003 C#CCOc1cc(cnc1N)C(=O)OC 7a_100009857207_100000038162 [0,2,0,0,0,0|2,0,0]=4 4999 B15R1.1003 C#CCSc1cc(ccc1Br)C(=O)OC 62a_100000038162_100012349818 [0,2,0,0,0,0|1,1,0]=4 5000 B15R1.1003 C#CCSc1cc(ccc1C)C(=O)OC 62a_100000038162_100000723194 [0,2,0,0,0,0|1,1,0]=4 5001 B15R1.1003 C#CCSc1cc(ccc1Cl)C(=O)OC 62a_100000038162_100011294800 [0,2,0,0,0,0|1,1,0]=4 5002 B15R1.1003 C#CCSc1cc(ccc1F)C(=O)OC 62a_100000038162_100000722584 [0,2,0,0,0,0|1,1,0]=4 5003 B15R1.1003 C#CCSc1cc(ccc1N)C(=O)OC 62a_100000038162_100000187552 [0,2,0,0,0,0|1,1,0]=4 5004 B15R1.1003 C#CCSc1cc(ccc1O)C(=O)OC 62a_100000038162_100000216328 [0,2,0,0,0,0|0,1,0]=3 5005 B15R1.1003 C#CCSc1cc(cnc1O)C(=O)OC 62a_100000038162_100010109663 [0,2,0,0,0,0|1,1,0]=4 5006 B15R1.1003 C#CCSc1nc(ccc1O)C(=O)OC 62a_100000038162_200009815348 [0,2,0,0,0,0|1,1,0]=4 5007 B15R1.1003 C=CCOc1cc(ccc1Br)C(=O)OC 34a_100011934688_100015514636 [0,2,0,0,0,0|1,0,0]=3 5008 B15R1.1003 C=CCOc1cc(ccc1Br)C(=O)OC 7a_100011934688_100015514636 [0,2,0,0,0,0|1,0,0]=3 5009 B15R1.1003 C=CCOc1cc(ccc1C)C(=O)OC 34a_100000736511_100015514636 [0,2,0,0,0,0|1,0,0]=3 5010 B15R1.1003 C=CCOc1cc(ccc1C)C(=O)OC 7a_100000736511_100015514636 [0,2,0,0,0,0|1,0,0]=3 5011 B15R1.1003 C=CCOc1cc(ccc1Cl)C(=O)OC 34a_100000103815_100015514636 [0,2,0,0,0,0|1,0,0]=3 5012 B15R1.1003 C=CCOc1cc(ccc1Cl)C(=O)OC 7a_100000103815_100015514636 [0,2,0,0,0,0|1,0,0]=3 5013 B15R1.1003 C=CCOc1cc(ccc1F)C(=O)OC 34a_100000062259_100015514636 [0,2,0,0,0,0|1,0,0]=3 5014 B15R1.1003 C=CCOc1cc(ccc1F)C(=O)OC 7a_100000062259_100015514636 [0,2,0,0,0,0|1,0,0]=3 5015 B15R1.1003 C=CCOc1cc(ccc1I)C(=O)OC 34a_100012350776_100015514636 [0,2,0,0,0,0|1,0,0]=3 5016 B15R1.1003 C=CCOc1cc(ccc1I)C(=O)OC 7a_100012350776_100015514636 [0,2,0,0,0,0|1,0,0]=3 5017 B15R1.1003 C=CCOc1cc(ccc1N)C(=O)OC 34a_100000757247_100015514636 [0,2,0,0,0,0|1,0,0]=3 5018 B15R1.1003 C=CCOc1cc(ccc1N)C(=O)OC 7a_100000757247_100015514636 [0,2,0,0,0,0|1,0,0]=3 5019 B15R1.1003 C=CCOc1cc(cnc1Cl)C(=O)OC 34a_100009840551_100015514636 [0,2,0,0,0,0|2,0,0]=4 5020 B15R1.1003 C=CCOc1cc(cnc1Cl)C(=O)OC 7a_100009840551_100015514636 [0,2,0,0,0,0|2,0,0]=4 5021 B15R1.1003 C=CCOc1cc(cnc1I)C(=O)OC 34a_100010999399_100015514636 [0,2,0,0,0,0|2,0,0]=4 5022 B15R1.1003 C=CCOc1cc(cnc1I)C(=O)OC 7a_100010999399_100015514636 [0,2,0,0,0,0|2,0,0]=4 5023 B15R1.1003 C=CCOc1cc(cnc1N)C(=O)OC 34a_100009857207_100015514636 [0,2,0,0,0,0|2,0,0]=4 5024 B15R1.1003 C=CCOc1cc(cnc1N)C(=O)OC 7a_100009857207_100015514636 [0,2,0,0,0,0|2,0,0]=4 5025 B15R1.1003 C=CCSc1cc(ccc1Br)C(=O)OC 62a_100000210623_100012349818 [0,2,0,0,0,0|1,1,0]=4 5026 B15R1.1003 C=CCSc1cc(ccc1Br)C(=O)OC 62a_100012349818_100000210623 [0,2,0,0,0,0|1,1,0]=4 5027 B15R1.1003 C=CCSc1cc(ccc1C)C(=O)OC 62a_100000210623_100000723194 [0,2,0,0,0,0|1,1,0]=4 5028 B15R1.1003 C=CCSc1cc(ccc1C)C(=O)OC 62a_100000723194_100000210623 [0,2,0,0,0,0|1,1,0]=4 5029 B15R1.1003 C=CCSc1cc(ccc1Cl)C(=O)OC 62a_100000210623_100011294800 [0,2,0,0,0,0|1,1,0]=4 5030 B15R1.1003 C=CCSc1cc(ccc1Cl)C(=O)OC 62a_100011294800_100000210623 [0,2,0,0,0,0|1,1,0]=4 5031 B15R1.1003 C=CCSc1cc(ccc1F)C(=O)OC 62a_100000210623_100000722584 [0,2,0,0,0,0|1,1,0]=4 5032 B15R1.1003 C=CCSc1cc(ccc1F)C(=O)OC 62a_100000722584_100000210623 [0,2,0,0,0,0|1,1,0]=4 5033 B15R1.1003 C=CCSc1cc(ccc1N)C(=O)OC 62a_100000187552_100000210623 [0,2,0,0,0,0|1,1,0]=4 5034 B15R1.1003 C=CCSc1cc(ccc1N)C(=O)OC 62a_100000210623_100000187552 [0,2,0,0,0,0|1,1,0]=4 5035 B15R1.1003 C=CCSc1cc(ccc1O)C(=O)OC 62a_100000210623_100000216328 [0,2,0,0,0,0|0,1,0]=3 5036 B15R1.1003 C=CCSc1cc(ccc1O)C(=O)OC 62a_100000216328_100000210623 [0,2,0,0,0,0|0,1,0]=3 5037 B15R1.1003 C=CCSc1cc(cnc1O)C(=O)OC 62a_100000210623_100010109663 [0,2,0,0,0,0|1,1,0]=4 5038 B15R1.1003 C=CCSc1cc(cnc1O)C(=O)OC 62a_100010109663_100000210623 [0,2,0,0,0,0|1,1,0]=4 5039 B15R1.1003 C=CCSc1nc(ccc1O)C(=O)OC 62a_100000210623_200009815348 [0,2,0,0,0,0|1,1,0]=4 5040 B15R1.1003 C=CCSc1nc(ccc1O)C(=O)OC 62a_200009815348_100000210623 [0,2,0,0,0,0|1,1,0]=4 5041 B15R1.1003 CCC(=O)c1ccc(c(c1)SCOC)F 62a_100000766300_100011216493 [0,2,0,0,0,0|2,0,0]=4 5042 B15R1.1003 CCC(=O)c1ccc(c(c1)SCOC)F 62a_100011216493_100000766300 [0,2,0,0,0,0|2,0,0]=4 5043 B15R1.1003 CCCCc1cc(ccc1Br)C(=O)OC 271570a_100020621405_100012349818 [0,2,0,0,0,0|2,0,0]=4 5044 B15R1.1003 CCCCc1cc(ccc1C)C(=O)OC 271570a_100020621405_100011218856 [0,2,0,0,0,0|2,0,0]=4 5045 B15R1.1003 CCCCc1cc(ccc1Cl)C(=O)OC 271570a_100020621405_100011294800 [0,2,0,0,0,0|2,0,0]=4 5046 B15R1.1003 CCCCc1cc(ccc1F)C(=O)OC 271570a_100020621405_100000722584 [0,2,0,0,0,0|2,0,0]=4 5047 B15R1.1003 CCCCc1cc(ccc1N)C(=O)OC 271570a_100020621405_100000187552 [0,2,0,0,0,0|2,0,0]=4 5048 B15R1.1003 CCCCc1cc(ccc1O)C(=O)OC 271570a_100020621405_100000216328 [0,2,0,0,0,0|1,0,0]=3 5049 B15R1.1003 CCCCc1cc(cnc1O)C(=O)OC 271570a_100020621405_100010109663 [0,2,0,0,0,0|2,0,0]=4 5050 B15R1.1003 CCCCc1nc(ccc1O)C(=O)OC 271570a_100020621405_200009815348 [0,2,0,0,0,0|2,0,0]=4 5051 B15R1.1003 CCCOc1cc(ccc1Br)C(=O)OC 34a_100011934688_100000210303 [0,2,0,0,0,0|1,0,0]=3 5052 B15R1.1003 CCCOc1cc(ccc1Br)C(=O)OC 7a_100011934688_100000210303 [0,2,0,0,0,0|1,0,0]=3 5053 B15R1.1003 CCCOc1cc(ccc1C)C(=O)OC 34a_100000736511_100000210303 [0,2,0,0,0,0|1,0,0]=3 5054 B15R1.1003 CCCOc1cc(ccc1C)C(=O)OC 7a_100000736511_100000210303 [0,2,0,0,0,0|1,0,0]=3 5055 B15R1.1003 CCCOc1cc(ccc1Cl)C(=O)CC 1458a_200010157554_100000210202 [0,2,0,0,0,0|2,0,0]=4 5056 B15R1.1003 CCCOc1cc(ccc1Cl)C(=O)NC 11a_106832991635_200010157554 [0,2,0,0,0,0|2,0,0]=4 5057 B15R1.1003 CCCOc1cc(ccc1Cl)C(=O)NC 1626a_100102657272_200010157554 [0,2,0,0,0,0|2,0,0]=4 5058 B15R1.1003 CCCOc1cc(ccc1Cl)C(=O)NC 240690a_100102657272_200010157554 [0,2,0,0,0,0|2,0,0]=4 5059 B15R1.1003 CCCOc1cc(ccc1Cl)C(=O)NC 527a_100102657272_200010157554 [0,2,0,0,0,0|2,0,0]=4 5060 B15R1.1003 CCCOc1cc(ccc1Cl)C(=O)OC 34a_100000103815_100000210303 [0,2,0,0,0,0|1,0,0]=3 5061 B15R1.1003 CCCOc1cc(ccc1Cl)C(=O)OC 7a_100000103815_100000210303 [0,2,0,0,0,0|1,0,0]=3 5062 B15R1.1003 CCCOc1cc(ccc1F)C(=O)OC 34a_100000062259_100000210303 [0,2,0,0,0,0|1,0,0]=3 5063 B15R1.1003 CCCOc1cc(ccc1F)C(=O)OC 7a_100000062259_100000210303 [0,2,0,0,0,0|1,0,0]=3 5064 B15R1.1003 CCCOc1cc(ccc1I)C(=O)OC 34a_100012350776_100000210303 [0,2,0,0,0,0|1,0,0]=3 5065 B15R1.1003 CCCOc1cc(ccc1I)C(=O)OC 7a_100012350776_100000210303 [0,2,0,0,0,0|1,0,0]=3 5066 B15R1.1003 CCCOc1cc(ccc1N)C(=O)OC 34a_100000757247_100000210303 [0,2,0,0,0,0|1,0,0]=3 5067 B15R1.1003 CCCOc1cc(ccc1N)C(=O)OC 7a_100000757247_100000210303 [0,2,0,0,0,0|1,0,0]=3 5068 B15R1.1003 CCCOc1cc(cnc1Cl)C(=O)OC 34a_100009840551_100000210303 [0,2,0,0,0,0|2,0,0]=4 5069 B15R1.1003 CCCOc1cc(cnc1Cl)C(=O)OC 7a_100009840551_100000210303 [0,2,0,0,0,0|2,0,0]=4 5070 B15R1.1003 CCCOc1cc(cnc1I)C(=O)OC 34a_100010999399_100000210303 [0,2,0,0,0,0|2,0,0]=4 5071 B15R1.1003 CCCOc1cc(cnc1I)C(=O)OC 7a_100010999399_100000210303 [0,2,0,0,0,0|2,0,0]=4 5072 B15R1.1003 CCCOc1cc(cnc1N)C(=O)OC 34a_100009857207_100000210303 [0,2,0,0,0,0|2,0,0]=4 5073 B15R1.1003 CCCOc1cc(cnc1N)C(=O)OC 7a_100009857207_100000210303 [0,2,0,0,0,0|2,0,0]=4 5074 B15R1.1003 CCCSc1cc(ccc1Br)C(=O)OC 62a_100000210303_100012349818 [0,2,0,0,0,0|1,1,0]=4 5075 B15R1.1003 CCCSc1cc(ccc1Br)C(=O)OC 62a_100012349818_100000210303 [0,2,0,0,0,0|1,1,0]=4 5076 B15R1.1003 CCCSc1cc(ccc1C)C(=O)OC 62a_100000210303_100000723194 [0,2,0,0,0,0|1,1,0]=4 5077 B15R1.1003 CCCSc1cc(ccc1C)C(=O)OC 62a_100000723194_100000210303 [0,2,0,0,0,0|1,1,0]=4 5078 B15R1.1003 CCCSc1cc(ccc1Cl)C(=O)OC 62a_100000210303_100011294800 [0,2,0,0,0,0|1,1,0]=4 5079 B15R1.1003 CCCSc1cc(ccc1Cl)C(=O)OC 62a_100011294800_100000210303 [0,2,0,0,0,0|1,1,0]=4 5080 B15R1.1003 CCCSc1cc(ccc1F)C(=O)OC 62a_100000210303_100000722584 [0,2,0,0,0,0|1,1,0]=4 5081 B15R1.1003 CCCSc1cc(ccc1F)C(=O)OC 62a_100000722584_100000210303 [0,2,0,0,0,0|1,1,0]=4 5082 B15R1.1003 CCCSc1cc(ccc1N)C(=O)OC 62a_100000187552_100000210303 [0,2,0,0,0,0|1,1,0]=4 5083 B15R1.1003 CCCSc1cc(ccc1N)C(=O)OC 62a_100000210303_100000187552 [0,2,0,0,0,0|1,1,0]=4 5084 B15R1.1003 CCCSc1cc(ccc1O)C(=O)OC 62a_100000210303_100000216328 [0,2,0,0,0,0|0,1,0]=3 5085 B15R1.1003 CCCSc1cc(ccc1O)C(=O)OC 62a_100000216328_100000210303 [0,2,0,0,0,0|0,1,0]=3 5086 B15R1.1003 CCCSc1cc(cnc1O)C(=O)OC 62a_100000210303_100010109663 [0,2,0,0,0,0|1,1,0]=4 5087 B15R1.1003 CCCSc1cc(cnc1O)C(=O)OC 62a_100010109663_100000210303 [0,2,0,0,0,0|1,1,0]=4 5088 B15R1.1003 CCCSc1nc(ccc1O)C(=O)OC 62a_100000210303_200009815348 [0,2,0,0,0,0|1,1,0]=4 5089 B15R1.1003 CCCSc1nc(ccc1O)C(=O)OC 62a_200009815348_100000210303 [0,2,0,0,0,0|1,1,0]=4 5090 B15R1.1003 CCNCc1cc(ccc1Br)C(=O)OC 2230a_100015525214_100012232407 [0,2,0,0,0,0|2,0,0]=4 5091 B15R1.1003 CCNCc1cc(ccc1Br)C(=O)OC 270004a_100015525214_100012274322 [0,2,0,0,0,0|2,0,0]=4 5092 B15R1.1003 CCNCc1cc(ccc1C)C(=O)OC 270004a_100015525214_100010624047 [0,2,0,0,0,0|2,0,0]=4 5093 B15R1.1003 CCNCc1cc(ccc1Cl)C(=O)OC 2230a_100015525214_100000698984 [0,2,0,0,0,0|2,0,0]=4 5094 B15R1.1003 CCNCc1cc(ccc1Cl)C(=O)OC 270004a_100015525214_100000725138 [0,2,0,0,0,0|2,0,0]=4 5095 B15R1.1003 CCOCc1cc(ccc1Br)C(=O)OC 34a_100010201863_100000210202 [0,2,0,0,0,0|1,0,0]=3 5096 B15R1.1003 CCOCc1cc(ccc1Br)C(=O)OC 34a_100121572206_100012232407 [0,2,0,0,0,0|1,0,0]=3 5097 B15R1.1003 CCOCc1cc(ccc1Br)C(=O)OC 7a_100010201863_100000210202 [0,2,0,0,0,0|1,0,0]=3 5098 B15R1.1003 CCOCc1cc(ccc1N)C(=O)OC 34a_200015838792_100000210202 [0,2,0,0,0,0|1,0,0]=3 5099 B15R1.1003 CCOCc1cc(ccc1N)C(=O)OC 7a_200015838792_100000210202 [0,2,0,0,0,0|1,0,0]=3 5100 B15R1.1003 CCSCc1cc(ccc1Br)C(=O)OC 62a_100000210202_100012232407 [0,2,0,0,0,0|1,1,0]=4 5101 B15R1.1003 CCSCc1cc(ccc1Br)C(=O)OC 62a_100012232407_100000210202 [0,2,0,0,0,0|1,1,0]=4 5102 B15R1.1003 CCSCc1cc(ccc1Cl)C(=O)OC 62a_100000210202_100000698984 [0,2,0,0,0,0|1,1,0]=4 5103 B15R1.1003 CCSCc1cc(ccc1Cl)C(=O)OC 62a_100000698984_100000210202 [0,2,0,0,0,0|1,1,0]=4 5104 B15R1.1003 CNC(=O)c1ccc(c(c1)NCOC)C 2230a_100000737617_100000766300 [0,2,0,0,0,0|2,0,0]=4 5105 B15R1.1003 CNC(=O)c1ccc(c(c1)SCOC)F 62a_100000766300_200012359898 [0,2,0,0,0,0|2,0,0]=4 5106 B15R1.1003 CNC(=O)c1ccc(c(c1)SCOC)F 62a_200012359898_100000766300 [0,2,0,0,0,0|2,0,0]=4 5107 B15R1.1003 COC(=O)c1ccc(c(c1)COCF)Br 34a_100010201863_100015361967 [0,2,0,0,0,0|1,0,0]=3 5108 B15R1.1003 COC(=O)c1ccc(c(c1)COCF)Br 7a_100010201863_100015361967 [0,2,0,0,0,0|1,0,0]=3 5109 B15R1.1003 COC(=O)c1ccc(c(c1)COCF)N 34a_200015838792_100015361967 [0,2,0,0,0,0|1,0,0]=3 5110 B15R1.1003 COC(=O)c1ccc(c(c1)COCF)N 7a_200015838792_100015361967 [0,2,0,0,0,0|1,0,0]=3 5111 B15R1.1003 COC(=O)c1ccc(c(c1)CSCF)Br 62a_100012232407_100015361967 [0,2,0,0,0,0|1,1,0]=4 5112 B15R1.1003 COC(=O)c1ccc(c(c1)CSCF)Br 62a_100015361967_100012232407 [0,2,0,0,0,0|1,1,0]=4 5113 B15R1.1003 COC(=O)c1ccc(c(c1)CSCF)Cl 62a_100000698984_100015361967 [0,2,0,0,0,0|1,1,0]=4 5114 B15R1.1003 COC(=O)c1ccc(c(c1)CSCF)Cl 62a_100015361967_100000698984 [0,2,0,0,0,0|1,1,0]=4 5115 B15R1.1003 COC(=O)c1ccc(c(c1)OCC#N)Br 7a_100011934688_100011215382 [0,2,0,0,0,0|1,0,0]=3 5116 B15R1.1003 COC(=O)c1ccc(c(c1)OCC#N)C 7a_100000736511_100011215382 [0,2,0,0,0,0|1,0,0]=3 5117 B15R1.1003 COC(=O)c1ccc(c(c1)OCC#N)Cl 7a_100000103815_100011215382 [0,2,0,0,0,0|1,0,0]=3 5118 B15R1.1003 COC(=O)c1ccc(c(c1)OCC#N)F 7a_100000062259_100011215382 [0,2,0,0,0,0|1,0,0]=3 5119 B15R1.1003 COC(=O)c1ccc(c(c1)OCC#N)I 7a_100012350776_100011215382 [0,2,0,0,0,0|1,0,0]=3 5120 B15R1.1003 COC(=O)c1ccc(c(c1)OCC#N)N 7a_100000757247_100011215382 [0,2,0,0,0,0|1,0,0]=3 5121 B15R1.1003 COC(=O)c1ccc(c(c1)OCC=O)Br 34a_100011934688_200009817547 [0,2,0,0,0,0|1,0,0]=3 5122 B15R1.1003 COC(=O)c1ccc(c(c1)OCC=O)Br 7a_100011934688_200015260668 [0,2,0,0,0,0|1,0,0]=3 5123 B15R1.1003 COC(=O)c1ccc(c(c1)OCC=O)C 34a_100000736511_200009817547 [0,2,0,0,0,0|1,0,0]=3 5124 B15R1.1003 COC(=O)c1ccc(c(c1)OCC=O)C 7a_100000736511_200015260668 [0,2,0,0,0,0|1,0,0]=3 5125 B15R1.1003 COC(=O)c1ccc(c(c1)OCC=O)Cl 34a_100000103815_200009817547 [0,2,0,0,0,0|1,0,0]=3 5126 B15R1.1003 COC(=O)c1ccc(c(c1)OCC=O)Cl 7a_100000103815_200015260668 [0,2,0,0,0,0|1,0,0]=3 5127 B15R1.1003 COC(=O)c1ccc(c(c1)OCC=O)F 34a_100000062259_200009817547 [0,2,0,0,0,0|1,0,0]=3 5128 B15R1.1003 COC(=O)c1ccc(c(c1)OCC=O)F 7a_100000062259_200015260668 [0,2,0,0,0,0|1,0,0]=3 5129 B15R1.1003 COC(=O)c1ccc(c(c1)OCC=O)I 34a_100012350776_200009817547 [0,2,0,0,0,0|1,0,0]=3 5130 B15R1.1003 COC(=O)c1ccc(c(c1)OCC=O)I 7a_100012350776_200015260668 [0,2,0,0,0,0|1,0,0]=3 5131 B15R1.1003 COC(=O)c1ccc(c(c1)OCC=O)N 34a_100000757247_200009817547 [0,2,0,0,0,0|1,0,0]=3 5132 B15R1.1003 COC(=O)c1ccc(c(c1)OCC=O)N 7a_100000757247_200015260668 [0,2,0,0,0,0|1,0,0]=3 5133 B15R1.1003 COC(=O)c1ccc(c(c1)OCCF)Br 34a_100011934688_100011217306 [0,2,0,0,0,0|1,0,0]=3 5134 B15R1.1003 COC(=O)c1ccc(c(c1)OCCF)Br 7a_100011934688_100011217306 [0,2,0,0,0,0|1,0,0]=3 5135 B15R1.1003 COC(=O)c1ccc(c(c1)OCCF)C 34a_100000736511_100011217306 [0,2,0,0,0,0|1,0,0]=3 5136 B15R1.1003 COC(=O)c1ccc(c(c1)OCCF)C 7a_100000736511_100011217306 [0,2,0,0,0,0|1,0,0]=3 5137 B15R1.1003 COC(=O)c1ccc(c(c1)OCCF)Cl 34a_100000103815_100011217306 [0,2,0,0,0,0|1,0,0]=3 5138 B15R1.1003 COC(=O)c1ccc(c(c1)OCCF)Cl 7a_100000103815_100011217306 [0,2,0,0,0,0|1,0,0]=3 5139 B15R1.1003 COC(=O)c1ccc(c(c1)OCCF)F 34a_100000062259_100011217306 [0,2,0,0,0,0|1,0,0]=3 5140 B15R1.1003 COC(=O)c1ccc(c(c1)OCCF)F 7a_100000062259_100011217306 [0,2,0,0,0,0|1,0,0]=3 5141 B15R1.1003 COC(=O)c1ccc(c(c1)OCCF)I 34a_100012350776_100011217306 [0,2,0,0,0,0|1,0,0]=3 5142 B15R1.1003 COC(=O)c1ccc(c(c1)OCCF)I 7a_100012350776_100011217306 [0,2,0,0,0,0|1,0,0]=3 5143 B15R1.1003 COC(=O)c1ccc(c(c1)OCCF)N 34a_100000757247_100011217306 [0,2,0,0,0,0|1,0,0]=3 5144 B15R1.1003 COC(=O)c1ccc(c(c1)OCCF)N 7a_100000757247_100011217306 [0,2,0,0,0,0|1,0,0]=3 5145 B15R1.1003 COC(=O)c1ccc(c(c1)OCCO)Br 34a_100011934688_100000211926 [0,2,0,0,0,0|1,0,0]=3 5146 B15R1.1003 COC(=O)c1ccc(c(c1)OCCO)Br 7a_100011934688_100000211926 [0,2,0,0,0,0|1,0,0]=3 5147 B15R1.1003 COC(=O)c1ccc(c(c1)OCCO)C 34a_100000736511_100000211926 [0,2,0,0,0,0|1,0,0]=3 5148 B15R1.1003 COC(=O)c1ccc(c(c1)OCCO)C 7a_100000736511_100000211926 [0,2,0,0,0,0|1,0,0]=3 5149 B15R1.1003 COC(=O)c1ccc(c(c1)OCCO)Cl 34a_100000103815_100000211926 [0,2,0,0,0,0|1,0,0]=3 5150 B15R1.1003 COC(=O)c1ccc(c(c1)OCCO)Cl 7a_100000103815_100000211926 [0,2,0,0,0,0|1,0,0]=3 5151 B15R1.1003 COC(=O)c1ccc(c(c1)OCCO)F 34a_100000062259_100000211926 [0,2,0,0,0,0|1,0,0]=3 5152 B15R1.1003 COC(=O)c1ccc(c(c1)OCCO)F 7a_100000062259_100000211926 [0,2,0,0,0,0|1,0,0]=3 5153 B15R1.1003 COC(=O)c1ccc(c(c1)OCCO)I 34a_100012350776_100000211926 [0,2,0,0,0,0|1,0,0]=3 5154 B15R1.1003 COC(=O)c1ccc(c(c1)OCCO)I 7a_100012350776_100000211926 [0,2,0,0,0,0|1,0,0]=3 5155 B15R1.1003 COC(=O)c1ccc(c(c1)OCCO)N 34a_100000757247_100000211926 [0,2,0,0,0,0|1,0,0]=3 5156 B15R1.1003 COC(=O)c1ccc(c(c1)OCCO)N 7a_100000757247_100000211926 [0,2,0,0,0,0|1,0,0]=3 5157 B15R1.1003 COC(=O)c1ccc(c(c1)OCSC)Br 34a_100011934688_100011218213 [0,2,0,0,0,0|1,0,0]=3 5158 B15R1.1003 COC(=O)c1ccc(c(c1)OCSC)C 34a_100000736511_100011218213 [0,2,0,0,0,0|1,0,0]=3 5159 B15R1.1003 COC(=O)c1ccc(c(c1)OCSC)Cl 34a_100000103815_100011218213 [0,2,0,0,0,0|1,0,0]=3 5160 B15R1.1003 COC(=O)c1ccc(c(c1)OCSC)F 34a_100000062259_100011218213 [0,2,0,0,0,0|1,0,0]=3 5161 B15R1.1003 COC(=O)c1ccc(c(c1)OCSC)I 34a_100012350776_100011218213 [0,2,0,0,0,0|1,0,0]=3 5162 B15R1.1003 COC(=O)c1ccc(c(c1)OCSC)N 34a_100000757247_100011218213 [0,2,0,0,0,0|1,0,0]=3 5163 B15R1.1003 COC(=O)c1ccc(c(c1)SCC#N)Br 62a_100011215382_100012349818 [0,2,0,0,0,0|1,1,0]=4 5164 B15R1.1003 COC(=O)c1ccc(c(c1)SCC#N)Br 62a_100012349818_100011215382 [0,2,0,0,0,0|1,1,0]=4 5165 B15R1.1003 COC(=O)c1ccc(c(c1)SCC#N)C 62a_100000723194_100011215382 [0,2,0,0,0,0|1,1,0]=4 5166 B15R1.1003 COC(=O)c1ccc(c(c1)SCC#N)C 62a_100011215382_100000723194 [0,2,0,0,0,0|1,1,0]=4 5167 B15R1.1003 COC(=O)c1ccc(c(c1)SCC#N)Cl 62a_100011215382_100011294800 [0,2,0,0,0,0|1,1,0]=4 5168 B15R1.1003 COC(=O)c1ccc(c(c1)SCC#N)Cl 62a_100011294800_100011215382 [0,2,0,0,0,0|1,1,0]=4 5169 B15R1.1003 COC(=O)c1ccc(c(c1)SCC#N)F 62a_100000722584_100011215382 [0,2,0,0,0,0|1,1,0]=4 5170 B15R1.1003 COC(=O)c1ccc(c(c1)SCC#N)F 62a_100011215382_100000722584 [0,2,0,0,0,0|1,1,0]=4 5171 B15R1.1003 COC(=O)c1ccc(c(c1)SCC#N)N 62a_100000187552_100011215382 [0,2,0,0,0,0|1,1,0]=4 5172 B15R1.1003 COC(=O)c1ccc(c(c1)SCC#N)N 62a_100011215382_100000187552 [0,2,0,0,0,0|1,1,0]=4 5173 B15R1.1003 COC(=O)c1ccc(c(c1)SCC#N)O 62a_100000216328_100011215382 [0,2,0,0,0,0|0,1,0]=3 5174 B15R1.1003 COC(=O)c1ccc(c(c1)SCC#N)O 62a_100011215382_100000216328 [0,2,0,0,0,0|0,1,0]=3 5175 B15R1.1003 COC(=O)c1ccc(c(c1)SCC=O)Br 62a_100012349818_200015260668 [0,2,0,0,0,0|1,1,0]=4 5176 B15R1.1003 COC(=O)c1ccc(c(c1)SCC=O)Br 62a_200015260668_100012349818 [0,2,0,0,0,0|1,1,0]=4 5177 B15R1.1003 COC(=O)c1ccc(c(c1)SCC=O)C 62a_100000723194_200015260668 [0,2,0,0,0,0|1,1,0]=4 5178 B15R1.1003 COC(=O)c1ccc(c(c1)SCC=O)C 62a_200015260668_100000723194 [0,2,0,0,0,0|1,1,0]=4 5179 B15R1.1003 COC(=O)c1ccc(c(c1)SCC=O)Cl 62a_100011294800_200015260668 [0,2,0,0,0,0|1,1,0]=4 5180 B15R1.1003 COC(=O)c1ccc(c(c1)SCC=O)Cl 62a_200015260668_100011294800 [0,2,0,0,0,0|1,1,0]=4 5181 B15R1.1003 COC(=O)c1ccc(c(c1)SCC=O)F 62a_100000722584_200015260668 [0,2,0,0,0,0|1,1,0]=4 5182 B15R1.1003 COC(=O)c1ccc(c(c1)SCC=O)F 62a_200015260668_100000722584 [0,2,0,0,0,0|1,1,0]=4 5183 B15R1.1003 COC(=O)c1ccc(c(c1)SCC=O)N 62a_100000187552_200015260668 [0,2,0,0,0,0|1,1,0]=4 5184 B15R1.1003 COC(=O)c1ccc(c(c1)SCC=O)N 62a_200015260668_100000187552 [0,2,0,0,0,0|1,1,0]=4 5185 B15R1.1003 COC(=O)c1ccc(c(c1)SCC=O)O 62a_100000216328_200015260668 [0,2,0,0,0,0|0,1,0]=3 5186 B15R1.1003 COC(=O)c1ccc(c(c1)SCC=O)O 62a_200015260668_100000216328 [0,2,0,0,0,0|0,1,0]=3 5187 B15R1.1003 COC(=O)c1ccc(c(c1)SCCF)Br 62a_100011217306_100012349818 [0,2,0,0,0,0|1,1,0]=4 5188 B15R1.1003 COC(=O)c1ccc(c(c1)SCCF)Br 62a_100012349818_100011217306 [0,2,0,0,0,0|1,1,0]=4 5189 B15R1.1003 COC(=O)c1ccc(c(c1)SCCF)C 62a_100000723194_100011217306 [0,2,0,0,0,0|1,1,0]=4 5190 B15R1.1003 COC(=O)c1ccc(c(c1)SCCF)C 62a_100011217306_100000723194 [0,2,0,0,0,0|1,1,0]=4 5191 B15R1.1003 COC(=O)c1ccc(c(c1)SCCF)Cl 62a_100011217306_100011294800 [0,2,0,0,0,0|1,1,0]=4 5192 B15R1.1003 COC(=O)c1ccc(c(c1)SCCF)Cl 62a_100011294800_100011217306 [0,2,0,0,0,0|1,1,0]=4 5193 B15R1.1003 COC(=O)c1ccc(c(c1)SCCF)F 62a_100000722584_100011217306 [0,2,0,0,0,0|1,1,0]=4 5194 B15R1.1003 COC(=O)c1ccc(c(c1)SCCF)F 62a_100011217306_100000722584 [0,2,0,0,0,0|1,1,0]=4 5195 B15R1.1003 COC(=O)c1ccc(c(c1)SCCF)N 62a_100000187552_100011217306 [0,2,0,0,0,0|1,1,0]=4 5196 B15R1.1003 COC(=O)c1ccc(c(c1)SCCF)N 62a_100011217306_100000187552 [0,2,0,0,0,0|1,1,0]=4 5197 B15R1.1003 COC(=O)c1ccc(c(c1)SCCF)O 62a_100000216328_100011217306 [0,2,0,0,0,0|0,1,0]=3 5198 B15R1.1003 COC(=O)c1ccc(c(c1)SCCF)O 62a_100011217306_100000216328 [0,2,0,0,0,0|0,1,0]=3 5199 B15R1.1003 COC(=O)c1ccc(c(c1)SCCO)Br 62a_100000211926_100012349818 [0,2,0,0,0,0|1,1,0]=4 5200 B15R1.1003 COC(=O)c1ccc(c(c1)SCCO)Br 62a_100012349818_100000211926 [0,2,0,0,0,0|1,1,0]=4 5201 B15R1.1003 COC(=O)c1ccc(c(c1)SCCO)C 62a_100000211926_100000723194 [0,2,0,0,0,0|1,1,0]=4 5202 B15R1.1003 COC(=O)c1ccc(c(c1)SCCO)C 62a_100000723194_100000211926 [0,2,0,0,0,0|1,1,0]=4 5203 B15R1.1003 COC(=O)c1ccc(c(c1)SCCO)Cl 62a_100000211926_100011294800 [0,2,0,0,0,0|1,1,0]=4 5204 B15R1.1003 COC(=O)c1ccc(c(c1)SCCO)Cl 62a_100011294800_100000211926 [0,2,0,0,0,0|1,1,0]=4 5205 B15R1.1003 COC(=O)c1ccc(c(c1)SCCO)F 62a_100000211926_100000722584 [0,2,0,0,0,0|1,1,0]=4 5206 B15R1.1003 COC(=O)c1ccc(c(c1)SCCO)F 62a_100000722584_100000211926 [0,2,0,0,0,0|1,1,0]=4 5207 B15R1.1003 COC(=O)c1ccc(c(c1)SCCO)N 62a_100000187552_100000211926 [0,2,0,0,0,0|1,1,0]=4 5208 B15R1.1003 COC(=O)c1ccc(c(c1)SCCO)N 62a_100000211926_100000187552 [0,2,0,0,0,0|1,1,0]=4 5209 B15R1.1003 COC(=O)c1ccc(c(c1)SCCO)O 62a_100000211926_100000216328 [0,2,0,0,0,0|0,1,0]=3 5210 B15R1.1003 COC(=O)c1ccc(c(c1)SCCO)O 62a_100000216328_100000211926 [0,2,0,0,0,0|0,1,0]=3 5211 B15R1.1003 COC(=O)c1ccc(c(c1)SCSC)Br 62a_100011218213_100012349818 [0,2,0,0,0,0|1,1,0]=4 5212 B15R1.1003 COC(=O)c1ccc(c(c1)SCSC)Br 62a_100012349818_100011218213 [0,2,0,0,0,0|1,1,0]=4 5213 B15R1.1003 COC(=O)c1ccc(c(c1)SCSC)C 62a_100000723194_100011218213 [0,2,0,0,0,0|1,1,0]=4 5214 B15R1.1003 COC(=O)c1ccc(c(c1)SCSC)C 62a_100011218213_100000723194 [0,2,0,0,0,0|1,1,0]=4 5215 B15R1.1003 COC(=O)c1ccc(c(c1)SCSC)Cl 62a_100011218213_100011294800 [0,2,0,0,0,0|1,1,0]=4 5216 B15R1.1003 COC(=O)c1ccc(c(c1)SCSC)Cl 62a_100011294800_100011218213 [0,2,0,0,0,0|1,1,0]=4 5217 B15R1.1003 COC(=O)c1ccc(c(c1)SCSC)F 62a_100000722584_100011218213 [0,2,0,0,0,0|1,1,0]=4 5218 B15R1.1003 COC(=O)c1ccc(c(c1)SCSC)F 62a_100011218213_100000722584 [0,2,0,0,0,0|1,1,0]=4 5219 B15R1.1003 COC(=O)c1ccc(c(c1)SCSC)N 62a_100000187552_100011218213 [0,2,0,0,0,0|1,1,0]=4 5220 B15R1.1003 COC(=O)c1ccc(c(c1)SCSC)N 62a_100011218213_100000187552 [0,2,0,0,0,0|1,1,0]=4 5221 B15R1.1003 COC(=O)c1ccc(c(c1)SCSC)O 62a_100000216328_100011218213 [0,2,0,0,0,0|0,1,0]=3 5222 B15R1.1003 COC(=O)c1ccc(c(c1)SCSC)O 62a_100011218213_100000216328 [0,2,0,0,0,0|0,1,0]=3 5223 B15R1.1003 COC(=O)c1ccc(c(n1)SCC#N)O 62a_100011215382_200009815348 [0,2,0,0,0,0|1,1,0]=4 5224 B15R1.1003 COC(=O)c1ccc(c(n1)SCC#N)O 62a_200009815348_100011215382 [0,2,0,0,0,0|1,1,0]=4 5225 B15R1.1003 COC(=O)c1ccc(c(n1)SCC=O)O 62a_200009815348_200015260668 [0,2,0,0,0,0|1,1,0]=4 5226 B15R1.1003 COC(=O)c1ccc(c(n1)SCC=O)O 62a_200015260668_200009815348 [0,2,0,0,0,0|1,1,0]=4 5227 B15R1.1003 COC(=O)c1ccc(c(n1)SCCF)O 62a_100011217306_200009815348 [0,2,0,0,0,0|1,1,0]=4 5228 B15R1.1003 COC(=O)c1ccc(c(n1)SCCF)O 62a_200009815348_100011217306 [0,2,0,0,0,0|1,1,0]=4 5229 B15R1.1003 COC(=O)c1ccc(c(n1)SCCO)O 62a_100000211926_200009815348 [0,2,0,0,0,0|1,1,0]=4 5230 B15R1.1003 COC(=O)c1ccc(c(n1)SCCO)O 62a_200009815348_100000211926 [0,2,0,0,0,0|1,1,0]=4 5231 B15R1.1003 COC(=O)c1ccc(c(n1)SCSC)O 62a_100011218213_200009815348 [0,2,0,0,0,0|1,1,0]=4 5232 B15R1.1003 COC(=O)c1ccc(c(n1)SCSC)O 62a_200009815348_100011218213 [0,2,0,0,0,0|1,1,0]=4 5233 B15R1.1003 COC(=O)c1cnc(c(c1)OCC#N)Cl 7a_100009840551_100011215382 [0,2,0,0,0,0|2,0,0]=4 5234 B15R1.1003 COC(=O)c1cnc(c(c1)OCC#N)I 7a_100010999399_100011215382 [0,2,0,0,0,0|2,0,0]=4 5235 B15R1.1003 COC(=O)c1cnc(c(c1)OCC#N)N 7a_100009857207_100011215382 [0,2,0,0,0,0|2,0,0]=4 5236 B15R1.1003 COC(=O)c1cnc(c(c1)OCC=O)Cl 34a_100009840551_200009817547 [0,2,0,0,0,0|2,0,0]=4 5237 B15R1.1003 COC(=O)c1cnc(c(c1)OCC=O)Cl 7a_100009840551_200015260668 [0,2,0,0,0,0|2,0,0]=4 5238 B15R1.1003 COC(=O)c1cnc(c(c1)OCC=O)I 34a_100010999399_200009817547 [0,2,0,0,0,0|2,0,0]=4 5239 B15R1.1003 COC(=O)c1cnc(c(c1)OCC=O)I 7a_100010999399_200015260668 [0,2,0,0,0,0|2,0,0]=4 5240 B15R1.1003 COC(=O)c1cnc(c(c1)OCC=O)N 34a_100009857207_200009817547 [0,2,0,0,0,0|2,0,0]=4 5241 B15R1.1003 COC(=O)c1cnc(c(c1)OCC=O)N 7a_100009857207_200015260668 [0,2,0,0,0,0|2,0,0]=4 5242 B15R1.1003 COC(=O)c1cnc(c(c1)OCCF)Cl 34a_100009840551_100011217306 [0,2,0,0,0,0|2,0,0]=4 5243 B15R1.1003 COC(=O)c1cnc(c(c1)OCCF)Cl 7a_100009840551_100011217306 [0,2,0,0,0,0|2,0,0]=4 5244 B15R1.1003 COC(=O)c1cnc(c(c1)OCCF)I 34a_100010999399_100011217306 [0,2,0,0,0,0|2,0,0]=4 5245 B15R1.1003 COC(=O)c1cnc(c(c1)OCCF)I 7a_100010999399_100011217306 [0,2,0,0,0,0|2,0,0]=4 5246 B15R1.1003 COC(=O)c1cnc(c(c1)OCCF)N 34a_100009857207_100011217306 [0,2,0,0,0,0|2,0,0]=4 5247 B15R1.1003 COC(=O)c1cnc(c(c1)OCCF)N 7a_100009857207_100011217306 [0,2,0,0,0,0|2,0,0]=4 5248 B15R1.1003 COC(=O)c1cnc(c(c1)OCCO)Cl 34a_100009840551_100000211926 [0,2,0,0,0,0|2,0,0]=4 5249 B15R1.1003 COC(=O)c1cnc(c(c1)OCCO)Cl 7a_100009840551_100000211926 [0,2,0,0,0,0|2,0,0]=4 5250 B15R1.1003 COC(=O)c1cnc(c(c1)OCCO)I 34a_100010999399_100000211926 [0,2,0,0,0,0|2,0,0]=4 5251 B15R1.1003 COC(=O)c1cnc(c(c1)OCCO)I 7a_100010999399_100000211926 [0,2,0,0,0,0|2,0,0]=4 5252 B15R1.1003 COC(=O)c1cnc(c(c1)OCCO)N 34a_100009857207_100000211926 [0,2,0,0,0,0|2,0,0]=4 5253 B15R1.1003 COC(=O)c1cnc(c(c1)OCCO)N 7a_100009857207_100000211926 [0,2,0,0,0,0|2,0,0]=4 5254 B15R1.1003 COC(=O)c1cnc(c(c1)OCSC)Cl 34a_100009840551_100011218213 [0,2,0,0,0,0|2,0,0]=4 5255 B15R1.1003 COC(=O)c1cnc(c(c1)OCSC)I 34a_100010999399_100011218213 [0,2,0,0,0,0|2,0,0]=4 5256 B15R1.1003 COC(=O)c1cnc(c(c1)OCSC)N 34a_100009857207_100011218213 [0,2,0,0,0,0|2,0,0]=4 5257 B15R1.1003 COC(=O)c1cnc(c(c1)SCC#N)O 62a_100010109663_100011215382 [0,2,0,0,0,0|1,1,0]=4 5258 B15R1.1003 COC(=O)c1cnc(c(c1)SCC#N)O 62a_100011215382_100010109663 [0,2,0,0,0,0|1,1,0]=4 5259 B15R1.1003 COC(=O)c1cnc(c(c1)SCC=O)O 62a_100010109663_200015260668 [0,2,0,0,0,0|1,1,0]=4 5260 B15R1.1003 COC(=O)c1cnc(c(c1)SCC=O)O 62a_200015260668_100010109663 [0,2,0,0,0,0|1,1,0]=4 5261 B15R1.1003 COC(=O)c1cnc(c(c1)SCCF)O 62a_100010109663_100011217306 [0,2,0,0,0,0|1,1,0]=4 5262 B15R1.1003 COC(=O)c1cnc(c(c1)SCCF)O 62a_100011217306_100010109663 [0,2,0,0,0,0|1,1,0]=4 5263 B15R1.1003 COC(=O)c1cnc(c(c1)SCCO)O 62a_100000211926_100010109663 [0,2,0,0,0,0|1,1,0]=4 5264 B15R1.1003 COC(=O)c1cnc(c(c1)SCCO)O 62a_100010109663_100000211926 [0,2,0,0,0,0|1,1,0]=4 5265 B15R1.1003 COC(=O)c1cnc(c(c1)SCSC)O 62a_100010109663_100011218213 [0,2,0,0,0,0|1,1,0]=4 5266 B15R1.1003 COC(=O)c1cnc(c(c1)SCSC)O 62a_100011218213_100010109663 [0,2,0,0,0,0|1,1,0]=4 5267 B15R1.1003 COCSc1cc(ccc1Br)C(=O)OC 62a_100000766300_100012349818 [0,2,0,0,0,0|1,0,0]=3 5268 B15R1.1003 COCSc1cc(ccc1Br)C(=O)OC 62a_100012349818_100000766300 [0,2,0,0,0,0|1,0,0]=3 5269 B15R1.1003 COCSc1cc(ccc1C)C(=O)OC 62a_100000723194_100000766300 [0,2,0,0,0,0|1,0,0]=3 5270 B15R1.1003 COCSc1cc(ccc1C)C(=O)OC 62a_100000766300_100000723194 [0,2,0,0,0,0|1,0,0]=3 5271 B15R1.1003 COCSc1cc(ccc1Cl)C(=O)OC 62a_100000766300_100011294800 [0,2,0,0,0,0|1,0,0]=3 5272 B15R1.1003 COCSc1cc(ccc1Cl)C(=O)OC 62a_100011294800_100000766300 [0,2,0,0,0,0|1,0,0]=3 5273 B15R1.1003 COCSc1cc(ccc1F)C(=O)OC 62a_100000722584_100000766300 [0,2,0,0,0,0|1,0,0]=3 5274 B15R1.1003 COCSc1cc(ccc1F)C(=O)OC 62a_100000766300_100000722584 [0,2,0,0,0,0|1,0,0]=3 5275 B15R1.1003 COCSc1cc(ccc1N)C(=O)OC 62a_100000187552_100000766300 [0,2,0,0,0,0|1,0,0]=3 5276 B15R1.1003 COCSc1cc(ccc1N)C(=O)OC 62a_100000766300_100000187552 [0,2,0,0,0,0|1,0,0]=3 5277 B15R1.1003 COCSc1cc(ccc1O)C(=O)OC 62a_100000216328_100000766300 [0,2,0,0,0,0|0,0,0]=2 5278 B15R1.1003 COCSc1cc(ccc1O)C(=O)OC 62a_100000766300_100000216328 [0,2,0,0,0,0|0,0,0]=2 5279 B15R1.1003 COCSc1cc(cnc1Cl)C(=O)OC 62a_100000766300_100010188758 [0,2,0,0,0,0|2,0,0]=4 5280 B15R1.1003 COCSc1cc(cnc1Cl)C(=O)OC 62a_100010188758_100000766300 [0,2,0,0,0,0|2,0,0]=4 5281 B15R1.1003 COCSc1cc(cnc1F)C(=O)OC 62a_100000117919_100000766300 [0,2,0,0,0,0|2,0,0]=4 5282 B15R1.1003 COCSc1cc(cnc1F)C(=O)OC 62a_100000766300_100000117919 [0,2,0,0,0,0|2,0,0]=4 5283 B15R1.1003 COCSc1cc(cnc1N)C(=O)OC 62a_100000766300_100009816800 [0,2,0,0,0,0|2,0,0]=4 5284 B15R1.1003 COCSc1cc(cnc1N)C(=O)OC 62a_100009816800_100000766300 [0,2,0,0,0,0|2,0,0]=4 5285 B15R1.1003 COCSc1cc(cnc1O)C(=O)OC 62a_100000766300_100010109663 [0,2,0,0,0,0|1,0,0]=3 5286 B15R1.1003 COCSc1cc(cnc1O)C(=O)OC 62a_100010109663_100000766300 [0,2,0,0,0,0|1,0,0]=3 5287 B15R1.1003 COCSc1cc(coc1=O)C(=O)OC 62a_100000766300_100009812866 [0,2,0,0,0,0|1,0,1]=4 5288 B15R1.1003 COCSc1cc(coc1=O)C(=O)OC 62a_100009812866_100000766300 [0,2,0,0,0,0|1,0,1]=4 5289 B15R1.1003 COCSc1cc(ncc1C)C(=O)OC 62a_100000065005_100000766300 [0,2,0,0,0,0|2,0,0]=4 5290 B15R1.1003 COCSc1cc(ncc1C)C(=O)OC 62a_100000766300_100000065005 [0,2,0,0,0,0|2,0,0]=4 5291 B15R1.1003 COCSc1nc(ccc1C)C(=O)OC 62a_100000766300_100010143800 [0,2,0,0,0,0|2,0,0]=4 5292 B15R1.1003 COCSc1nc(ccc1C)C(=O)OC 62a_100010143800_100000766300 [0,2,0,0,0,0|2,0,0]=4 5293 B15R1.1003 COCSc1nc(ccc1F)C(=O)OC 62a_100000766300_100010189626 [0,2,0,0,0,0|2,0,0]=4 5294 B15R1.1003 COCSc1nc(ccc1F)C(=O)OC 62a_100010189626_100000766300 [0,2,0,0,0,0|2,0,0]=4 5295 B15R1.1003 COCSc1nc(ccc1O)C(=O)OC 62a_100000766300_200009815348 [0,2,0,0,0,0|1,0,0]=3 5296 B15R1.1003 COCSc1nc(ccc1O)C(=O)OC 62a_200009815348_100000766300 [0,2,0,0,0,0|1,0,0]=3 5297 B15R1.7680 C=C=Cc1cc(ccc1CO)C(=O)OC 271570a_100015277604_100012355398 [0,2,0,0,0,0|1,0,1]=4 5298 B15R1.7680 C=C=Cc1cc(ccc1OC)C(=O)OC 271570a_100015277604_100000189012 [0,2,0,0,0,0|1,0,1]=4 5299 B15R1.7680 C=CCc1cc(ccc1OC)C(=O)OC 34a_200000028607_200000210301 [0,2,0,0,0,0|1,0,1]=4 5300 B15R1.7680 C=CCc1cc(ccc1OC)C(=O)OC 7a_200000028607_200000210301 [0,2,0,0,0,0|1,0,1]=4 5301 B15R1.7680 C=CCc1cc(ccc1O[13CH3])C(=O)OC 34a_200000028607_200025704644 [0,2,0,0,0,0|1,0,1]=4 5302 B15R1.7680 C=CCc1cc(ccc1O[13CH3])C(=O)OC 7a_200000028607_200025704644 [0,2,0,0,0,0|1,0,1]=4 5303 B15R1.7680 C=Cc1ccc(cc1COC)C(=O)OC 271570a_100011290941_200010890493 [0,2,0,0,0,0|1,0,0]=3 5304 B15R1.7680 CC=Cc1cc(ccc1C#N)C(=O)OC 271570a_100016259895_100009861381 [0,2,0,0,0,0|2,0,0]=4 5305 B15R1.7680 CC=Cc1cc(ccc1C=O)C(=O)OC 271570a_100016259895_100012179231 [0,2,0,0,0,0|1,0,1]=4 5306 B15R1.7680 CC=Cc1cc(ccc1CC)C(=O)OC 271570a_100016259895_200012360130 [0,2,0,0,0,0|2,0,0]=4 5307 B15R1.7680 CC=Cc1cc(ccc1CO)C(=O)OC 271570a_100016259895_100012355398 [0,2,0,0,0,0|1,0,0]=3 5308 B15R1.7680 CC=Cc1cc(ccc1OC)C(=O)OC 271570a_100016259895_100000189012 [0,2,0,0,0,0|1,0,0]=3 5309 B15R1.7680 CC=Cc1cc(cnc1OC)C(=O)OC 271570a_100016259895_100010189640 [0,2,0,0,0,0|2,0,0]=4 5310 B15R1.7680 CC=Cc1cc(ncc1OC)C(=O)OC 271570a_100016259895_200010136175 [0,2,0,0,0,0|2,0,0]=4 5311 B15R1.7680 CC=Cc1nc(ccc1OC)C(=O)OC 271570a_100016259895_100010205418 [0,2,0,0,0,0|2,0,0]=4 5312 B15R1.7680 CCNc1cc(ccc1OC)C(=O)NC 2230a_100000740754_100000210202 [0,2,0,0,0,0|2,0,0]=4 5313 B15R1.7680 CCNc1cc(ccc1OC)C(=O)NC 34a_100000740754_100000210202 [0,2,0,0,0,0|2,0,0]=4 5314 B15R1.7680 CCOc1cc(ccc1C#N)C(=O)OC 34a_100000044657_100000210202 [0,2,0,0,0,0|1,0,0]=3 5315 B15R1.7680 CCOc1cc(ccc1C#N)C(=O)OC 7a_100000044657_100000210202 [0,2,0,0,0,0|1,0,0]=3 5316 B15R1.7680 CCOc1cc(ccc1OC)C(=O)CC 1458a_100000181421_100000210202 [0,2,0,0,0,0|1,0,0]=3 5317 B15R1.7680 CCOc1cc(ccc1OC)C(=O)CF 1458a_100000181421_100015361967 [0,2,0,0,0,0|2,0,0]=4 5318 B15R1.7680 CCOc1cc(ccc1OC)C(=O)NC 11a_106832991635_100000181421 [0,2,0,0,0,0|1,0,0]=3 5319 B15R1.7680 CCOc1cc(ccc1OC)C(=O)NC 1626a_100102657272_100000181421 [0,2,0,0,0,0|1,0,0]=3 5320 B15R1.7680 CCOc1cc(ccc1OC)C(=O)NC 240690a_100102657272_100000181421 [0,2,0,0,0,0|1,0,0]=3 5321 B15R1.7680 CCOc1cc(ccc1OC)C(=O)NC 527a_100102657272_100000181421 [0,2,0,0,0,0|1,0,0]=3 5322 B15R1.7680 CCOc1cc(ccc1OC)C(=O)NN 34a_200012634778_100000210202 [0,2,0,0,0,0|2,0,0]=4 5323 B15R1.7680 CCOc1cc(ccc1OC)C(=O)OC 34a_100011215032_100000210202 [0,2,0,0,0,0|0,0,0]=2 5324 B15R1.7680 CCOc1cc(ccc1OC)C(=O)OC 7a_100011215032_100000210202 [0,2,0,0,0,0|0,0,0]=2 5325 B15R1.7680 CCOc1cc(cnc1OC)C(=O)OC 34a_100009867281_100000210202 [0,2,0,0,0,0|1,0,0]=3 5326 B15R1.7680 CCSc1cc(ccc1C#N)C(=O)OC 62a_100000210202_100009861381 [0,2,0,0,0,0|1,1,0]=4 5327 B15R1.7680 CCSc1cc(ccc1C=O)C(=O)OC 62a_100000210202_100012179231 [0,2,0,0,0,0|0,1,1]=4 5328 B15R1.7680 CCSc1cc(ccc1C=O)C(=O)OC 62a_100012179231_100000210202 [0,2,0,0,0,0|0,1,1]=4 5329 B15R1.7680 CCSc1cc(ccc1CC)C(=O)OC 62a_100000210202_200012360130 [0,2,0,0,0,0|1,1,0]=4 5330 B15R1.7680 CCSc1cc(ccc1CC)C(=O)OC 62a_200012360130_100000210202 [0,2,0,0,0,0|1,1,0]=4 5331 B15R1.7680 CCSc1cc(ccc1CO)C(=O)OC 62a_100000210202_100012355398 [0,2,0,0,0,0|0,1,0]=3 5332 B15R1.7680 CCSc1cc(ccc1CO)C(=O)OC 62a_100012355398_100000210202 [0,2,0,0,0,0|0,1,0]=3 5333 B15R1.7680 CCSc1cc(ccc1OC)C(=O)OC 62a_100000189012_100000210202 [0,2,0,0,0,0|0,1,0]=3 5334 B15R1.7680 CCSc1cc(ccc1OC)C(=O)OC 62a_100000210202_100000189012 [0,2,0,0,0,0|0,1,0]=3 5335 B15R1.7680 CCSc1cc(cnc1OC)C(=O)OC 62a_100000210202_100010189640 [0,2,0,0,0,0|1,1,0]=4 5336 B15R1.7680 CCSc1cc(cnc1OC)C(=O)OC 62a_100010189640_100000210202 [0,2,0,0,0,0|1,1,0]=4 5337 B15R1.7680 CCSc1cc(ncc1OC)C(=O)OC 62a_100000210202_200010136175 [0,2,0,0,0,0|1,1,0]=4 5338 B15R1.7680 CCSc1cc(ncc1OC)C(=O)OC 62a_200010136175_100000210202 [0,2,0,0,0,0|1,1,0]=4 5339 B15R1.7680 CCSc1nc(ccc1OC)C(=O)OC 62a_100000210202_100010205418 [0,2,0,0,0,0|1,1,0]=4 5340 B15R1.7680 CCSc1nc(ccc1OC)C(=O)OC 62a_100010205418_100000210202 [0,2,0,0,0,0|1,1,0]=4 5341 B15R1.7680 CCc1ccc(cc1SCF)C(=O)OC 62a_100015361967_200012360130 [0,2,0,0,0,0|1,1,0]=4 5342 B15R1.7680 CCc1ccc(cc1SCF)C(=O)OC 62a_200012360130_100015361967 [0,2,0,0,0,0|1,1,0]=4 5343 B15R1.7680 CNC(=O)c1ccc(c(c1)NCF)OC 34a_100000740754_100015361967 [0,2,0,0,0,0|2,0,0]=4 5344 B15R1.7680 CNCc1cc(ccc1C#N)C(=O)OC 2230a_106832991635_200010210189 [0,2,0,0,0,0|2,0,0]=4 5345 B15R1.7680 CNCc1cc(ccc1C#N)C(=O)OC 7a_106832991635_200010210189 [0,2,0,0,0,0|2,0,0]=4 5346 B15R1.7680 CNCc1cc(ccc1OC)C(=O)OC 2230a_106832991635_200010762020 [0,2,0,0,0,0|1,0,0]=3 5347 B15R1.7680 CNCc1cc(ccc1OC)C(=O)OC 26a_100102657272_100011215032 [0,2,0,0,0,0|1,0,0]=3 5348 B15R1.7680 CNCc1cc(ccc1OC)C(=O)OC 270004a_106832991635_100000059354 [0,2,0,0,0,0|1,0,0]=3 5349 B15R1.7680 CNCc1cc(ccc1OC)C(=O)OC 34a_100102657272_200010762020 [0,2,0,0,0,0|1,0,0]=3 5350 B15R1.7680 CNCc1cc(ccc1OC)C(=O)OC 7a_106832991635_200010762020 [0,2,0,0,0,0|1,0,0]=3 5351 B15R1.7680 COC(=O)c1cc(c(cn1)OC)SCF 62a_100015361967_200010136175 [0,2,0,0,0,0|1,1,0]=4 5352 B15R1.7680 COC(=O)c1cc(c(cn1)OC)SCF 62a_200010136175_100015361967 [0,2,0,0,0,0|1,1,0]=4 5353 B15R1.7680 COC(=O)c1ccc(c(c1)CSC)C#N 62a_200000210301_200010210189 [0,2,0,0,0,0|1,1,0]=4 5354 B15R1.7680 COC(=O)c1ccc(c(c1)CSC)OC 62a_200000210301_200010762020 [0,2,0,0,0,0|0,1,0]=3 5355 B15R1.7680 COC(=O)c1ccc(c(c1)CSC)OC 62a_200010762020_200000210301 [0,2,0,0,0,0|0,1,0]=3 5356 B15R1.7680 COC(=O)c1ccc(c(c1)CS[13CH3])C#N 62a_200025704644_200010210189 [0,2,0,0,0,0|1,1,0]=4 5357 B15R1.7680 COC(=O)c1ccc(c(c1)CS[13CH3])OC 62a_200010762020_200025704644 [0,2,0,0,0,0|0,1,0]=3 5358 B15R1.7680 COC(=O)c1ccc(c(c1)CS[13CH3])OC 62a_200025704644_200010762020 [0,2,0,0,0,0|0,1,0]=3 5359 B15R1.7680 COC(=O)c1ccc(c(c1)OCF)C#N 34a_100000044657_100015361967 [0,2,0,0,0,0|1,0,0]=3 5360 B15R1.7680 COC(=O)c1ccc(c(c1)OCF)C#N 7a_100000044657_100015361967 [0,2,0,0,0,0|1,0,0]=3 5361 B15R1.7680 COC(=O)c1ccc(c(c1)OCF)OC 34a_100011215032_100015361967 [0,2,0,0,0,0|0,0,0]=2 5362 B15R1.7680 COC(=O)c1ccc(c(c1)OCF)OC 7a_100011215032_100015361967 [0,2,0,0,0,0|0,0,0]=2 5363 B15R1.7680 COC(=O)c1ccc(c(c1)SCF)C#N 62a_100015361967_100009861381 [0,2,0,0,0,0|1,1,0]=4 5364 B15R1.7680 COC(=O)c1ccc(c(c1)SCF)C=O 62a_100012179231_100015361967 [0,2,0,0,0,0|0,1,1]=4 5365 B15R1.7680 COC(=O)c1ccc(c(c1)SCF)C=O 62a_100015361967_100012179231 [0,2,0,0,0,0|0,1,1]=4 5366 B15R1.7680 COC(=O)c1ccc(c(c1)SCF)CO 62a_100012355398_100015361967 [0,2,0,0,0,0|0,1,0]=3 5367 B15R1.7680 COC(=O)c1ccc(c(c1)SCF)CO 62a_100015361967_100012355398 [0,2,0,0,0,0|0,1,0]=3 5368 B15R1.7680 COC(=O)c1ccc(c(c1)SCF)OC 62a_100000189012_100015361967 [0,2,0,0,0,0|0,1,0]=3 5369 B15R1.7680 COC(=O)c1ccc(c(c1)SCF)OC 62a_100015361967_100000189012 [0,2,0,0,0,0|0,1,0]=3 5370 B15R1.7680 COC(=O)c1ccc(c(n1)SCF)OC 62a_100010205418_100015361967 [0,2,0,0,0,0|1,1,0]=4 5371 B15R1.7680 COC(=O)c1ccc(c(n1)SCF)OC 62a_100015361967_100010205418 [0,2,0,0,0,0|1,1,0]=4 5372 B15R1.7680 COC(=O)c1cnc(c(c1)OCF)OC 34a_100009867281_100015361967 [0,2,0,0,0,0|1,0,0]=3 5373 B15R1.7680 COC(=O)c1cnc(c(c1)SCF)OC 62a_100010189640_100015361967 [0,2,0,0,0,0|1,1,0]=4 5374 B15R1.7680 COC(=O)c1cnc(c(c1)SCF)OC 62a_100015361967_100010189640 [0,2,0,0,0,0|1,1,0]=4 5375 B15R1.7680 COCc1cc(ccc1OC)C(=O)OC 34a_100138415774_200010762020 [0,2,0,0,0,0|0,0,0]=2 5376 B15R1.7680 COCc1cc(ccc1SC)C(=O)OC 62a_200000210301_200010890493 [0,2,0,0,0,0|0,1,0]=3 5377 B15R1.7680 COCc1cc(ccc1SC)C(=O)OC 62a_200010890493_200000210301 [0,2,0,0,0,0|0,1,0]=3 5378 B15R1.7680 COCc1cc(ccc1S[13CH3])C(=O)OC 62a_200010890493_200025704644 [0,2,0,0,0,0|0,1,0]=3 5379 B15R1.7680 COCc1cc(ccc1S[13CH3])C(=O)OC 62a_200025704644_200010890493 [0,2,0,0,0,0|0,1,0]=3 5380 B15R1.7680 COc1ccc(cc1OCF)C(=O)NN 34a_200012634778_100015361967 [0,2,0,0,0,0|2,0,0]=4 5381 B15R1.9230 C#CCC(=O)c1ccc(c(c1)OCC)O 1458a_100011260950_100000184674 [0,2,0,0,0,0|1,0,1]=4 5382 B15R1.9230 C=C=Cc1cc(ccc1O)C(=O)OCC 271570a_100015277604_100009812659 [0,2,0,0,0,0|1,0,1]=4 5383 B15R1.9230 C=CCC(=O)c1ccc(c(c1)OCC)O 1458a_100011260950_100000210623 [0,2,0,0,0,0|1,0,1]=4 5384 B15R1.9230 CC=Cc1cc(ccc1C)C(=O)OCC 271570a_100016259895_100012359631 [0,2,0,0,0,0|2,0,0]=4 5385 B15R1.9230 CC=Cc1cc(ccc1F)C(=O)OCC 271570a_100016259895_100011934563 [0,2,0,0,0,0|2,0,0]=4 5386 B15R1.9230 CC=Cc1cc(ccc1N)C(=O)OCC 271570a_100016259895_100161115259 [0,2,0,0,0,0|2,0,0]=4 5387 B15R1.9230 CC=Cc1cc(ccc1O)C(=O)OCC 271570a_100016259895_100009812659 [0,2,0,0,0,0|1,0,0]=3 5388 B15R1.9230 CC=Cc1cc(cnc1O)C(=O)OCC 271570a_100016259895_100010004467 [0,2,0,0,0,0|2,0,0]=4 5389 B15R1.9230 CCCC(=O)c1ccc(c(c1)OCC)C 1458a_100000238212_100000210303 [0,2,0,0,0,0|2,0,0]=4 5390 B15R1.9230 CCCC(=O)c1ccc(c(c1)OCC)Cl 1458a_200010207389_100000210303 [0,2,0,0,0,0|2,0,0]=4 5391 B15R1.9230 CCCC(=O)c1ccc(c(c1)OCC)O 1458a_100011260950_100000210303 [0,2,0,0,0,0|1,0,0]=3 5392 B15R1.9230 CCNC(=O)c1ccc(c(c1)OCC)C 11a_100015525214_100000238212 [0,2,0,0,0,0|2,0,0]=4 5393 B15R1.9230 CCNC(=O)c1ccc(c(c1)OCC)C 240690a_100015525214_100000238212 [0,2,0,0,0,0|2,0,0]=4 5394 B15R1.9230 CCNC(=O)c1ccc(c(c1)OCC)C 527a_100015525214_100000238212 [0,2,0,0,0,0|2,0,0]=4 5395 B15R1.9230 CCNC(=O)c1ccc(c(c1)OCC)Cl 11a_100015525214_200010207389 [0,2,0,0,0,0|2,0,0]=4 5396 B15R1.9230 CCNC(=O)c1ccc(c(c1)OCC)Cl 240690a_100015525214_200010207389 [0,2,0,0,0,0|2,0,0]=4 5397 B15R1.9230 CCNC(=O)c1ccc(c(c1)OCC)Cl 527a_100015525214_200010207389 [0,2,0,0,0,0|2,0,0]=4 5398 B15R1.9230 CCNC(=O)c1ccc(c(c1)OCC)O 240690a_100015525214_100011260950 [0,2,0,0,0,0|1,0,0]=3 5399 B15R1.9230 CCOC(=O)c1ccc(c(c1)CNC)Br 2230a_106832991635_200010218069 [0,2,0,0,0,0|2,0,0]=4 5400 B15R1.9230 CCOC(=O)c1ccc(c(c1)CNC)Br 26a_100102657272_100012355281 [0,2,0,0,0,0|2,0,0]=4 5401 B15R1.9230 CCOC(=O)c1ccc(c(c1)CNC)Br 34a_100102657272_200010218069 [0,2,0,0,0,0|2,0,0]=4 5402 B15R1.9230 CCOC(=O)c1ccc(c(c1)CNC)Br 7a_106832991635_200010218069 [0,2,0,0,0,0|2,0,0]=4 5403 B15R1.9230 CCOC(=O)c1ccc(c(c1)COC)Br 34a_100138415774_200010218069 [0,2,0,0,0,0|1,0,0]=3 5404 B15R1.9230 CCOC(=O)c1ccc(c(c1)CSC)Br 62a_200000210301_200010218069 [0,2,0,0,0,0|1,1,0]=4 5405 B15R1.9230 CCOC(=O)c1ccc(c(c1)CSC)Br 62a_200010218069_200000210301 [0,2,0,0,0,0|1,1,0]=4 5406 B15R1.9230 CCOC(=O)c1ccc(c(c1)CS[13CH3])Br 62a_200010218069_200025704644 [0,2,0,0,0,0|1,1,0]=4 5407 B15R1.9230 CCOC(=O)c1ccc(c(c1)CS[13CH3])Br 62a_200025704644_200010218069 [0,2,0,0,0,0|1,1,0]=4 5408 B15R1.9230 CCOC(=O)c1ccc(c(c1)OCC)Br 7a_100012355281_100000210202 [0,2,0,0,0,0|1,0,0]=3 5409 B15R1.9230 CCOC(=O)c1ccc(c(c1)OCC)F 34a_200009842343_100000210202 [0,2,0,0,0,0|1,0,0]=3 5410 B15R1.9230 CCOC(=O)c1ccc(c(c1)OCC)F 7a_200009842343_100000210202 [0,2,0,0,0,0|1,0,0]=3 5411 B15R1.9230 CCOC(=O)c1ccc(c(c1)OCC)N 7a_100000756704_100000210202 [0,2,0,0,0,0|1,0,0]=3 5412 B15R1.9230 CCOC(=O)c1ccc(c(c1)OCF)Br 7a_100012355281_100015361967 [0,2,0,0,0,0|1,0,0]=3 5413 B15R1.9230 CCOC(=O)c1ccc(c(c1)OCF)F 34a_200009842343_100015361967 [0,2,0,0,0,0|1,0,0]=3 5414 B15R1.9230 CCOC(=O)c1ccc(c(c1)OCF)F 7a_200009842343_100015361967 [0,2,0,0,0,0|1,0,0]=3 5415 B15R1.9230 CCOC(=O)c1ccc(c(c1)OCF)N 7a_100000756704_100015361967 [0,2,0,0,0,0|1,0,0]=3 5416 B15R1.9230 CCOC(=O)c1ccc(c(c1)SCC)C 62a_100000210202_100012359631 [0,2,0,0,0,0|1,1,0]=4 5417 B15R1.9230 CCOC(=O)c1ccc(c(c1)SCC)C 62a_100012359631_100000210202 [0,2,0,0,0,0|1,1,0]=4 5418 B15R1.9230 CCOC(=O)c1ccc(c(c1)SCC)F 62a_100000210202_100011934563 [0,2,0,0,0,0|1,1,0]=4 5419 B15R1.9230 CCOC(=O)c1ccc(c(c1)SCC)F 62a_100011934563_100000210202 [0,2,0,0,0,0|1,1,0]=4 5420 B15R1.9230 CCOC(=O)c1ccc(c(c1)SCC)N 62a_100000210202_100161115259 [0,2,0,0,0,0|1,1,0]=4 5421 B15R1.9230 CCOC(=O)c1ccc(c(c1)SCC)N 62a_100161115259_100000210202 [0,2,0,0,0,0|1,1,0]=4 5422 B15R1.9230 CCOC(=O)c1ccc(c(c1)SCC)O 62a_100000210202_100009812659 [0,2,0,0,0,0|0,1,0]=3 5423 B15R1.9230 CCOC(=O)c1ccc(c(c1)SCF)C 62a_100012359631_100015361967 [0,2,0,0,0,0|1,1,0]=4 5424 B15R1.9230 CCOC(=O)c1ccc(c(c1)SCF)C 62a_100015361967_100012359631 [0,2,0,0,0,0|1,1,0]=4 5425 B15R1.9230 CCOC(=O)c1ccc(c(c1)SCF)F 62a_100011934563_100015361967 [0,2,0,0,0,0|1,1,0]=4 5426 B15R1.9230 CCOC(=O)c1ccc(c(c1)SCF)F 62a_100015361967_100011934563 [0,2,0,0,0,0|1,1,0]=4 5427 B15R1.9230 CCOC(=O)c1ccc(c(c1)SCF)N 62a_100015361967_100161115259 [0,2,0,0,0,0|1,1,0]=4 5428 B15R1.9230 CCOC(=O)c1ccc(c(c1)SCF)N 62a_100161115259_100015361967 [0,2,0,0,0,0|1,1,0]=4 5429 B15R1.9230 CCOC(=O)c1ccc(c(c1)SCF)O 62a_100015361967_100009812659 [0,2,0,0,0,0|0,1,0]=3 5430 B15R1.9230 CCOC(=O)c1cnc(c(c1)OCC)I 7a_100010179890_100000210202 [0,2,0,0,0,0|2,0,0]=4 5431 B15R1.9230 CCOC(=O)c1cnc(c(c1)OCF)I 7a_100010179890_100015361967 [0,2,0,0,0,0|2,0,0]=4 5432 B15R1.9230 CCOC(=O)c1cnc(c(c1)SCC)O 62a_100000210202_100010004467 [0,2,0,0,0,0|1,1,0]=4 5433 B15R1.9230 CCOC(=O)c1cnc(c(c1)SCF)O 62a_100015361967_100010004467 [0,2,0,0,0,0|1,1,0]=4 5434 B15R1.9230 CCOc1cc(ccc1C)C(=O)CCF 1458a_100000238212_100011217306 [0,2,0,0,0,0|2,0,0]=4 5435 B15R1.9230 CCOc1cc(ccc1C)C(=O)CCO 1458a_100000238212_100000211926 [0,2,0,0,0,0|2,0,0]=4 5436 B15R1.9230 CCOc1cc(ccc1C)C(=O)NNC 22a_100016993582_100000238212 [0,2,0,0,0,0|2,0,0]=4 5437 B15R1.9230 CCOc1cc(ccc1Cl)C(=O)CCF 1458a_200010207389_100011217306 [0,2,0,0,0,0|2,0,0]=4 5438 B15R1.9230 CCOc1cc(ccc1Cl)C(=O)CCO 1458a_200010207389_100000211926 [0,2,0,0,0,0|2,0,0]=4 5439 B15R1.9230 CCOc1cc(ccc1Cl)C(=O)NNC 22a_100016993582_200010207389 [0,2,0,0,0,0|2,0,0]=4 5440 B15R1.9230 CCOc1cc(ccc1O)C(=O)CC#N 1458a_100011260950_100011214920 [0,2,0,0,0,0|1,0,1]=4 5441 B15R1.9230 CCOc1cc(ccc1O)C(=O)CCF 1458a_100011260950_100011217306 [0,2,0,0,0,0|1,0,0]=3 5442 B15R1.9230 CCOc1cc(ccc1O)C(=O)CCO 1458a_100011260950_100000211926 [0,2,0,0,0,0|1,0,0]=3 5443 B15R1.9230 CCOc1cc(ccc1O)C(=O)NNC 22a_100016993582_100011260950 [0,2,0,0,0,0|1,0,0]=3 5444 B15R1.11778 CCC(=O)c1cc(ccc1Br)C(=O)OC 1458a_100010710364_100000210202 [0,2,0,0,0,0|2,0,0]=4 5445 B15R1.11778 CCC(=O)c1cc(ccc1Cl)C(=O)OC 1458a_200000732520_100000210202 [0,2,0,0,0,0|2,0,0]=4 5446 B15R1.11778 CCC(=O)c1ccc(c(c1)C(=O)OC)C 1458a_100000080026_100000210202 [0,2,0,0,0,0|2,0,0]=4 5447 B15R1.11778 CNC(=O)c1cc(ccc1Br)C(=O)OC 11a_106832991635_100010710364 [0,2,0,0,0,0|2,0,0]=4 5448 B15R1.11778 CNC(=O)c1cc(ccc1Br)C(=O)OC 1626a_100102657272_100010710364 [0,2,0,0,0,0|2,0,0]=4 5449 B15R1.11778 CNC(=O)c1cc(ccc1Br)C(=O)OC 240690a_100102657272_100010710364 [0,2,0,0,0,0|2,0,0]=4 5450 B15R1.11778 CNC(=O)c1cc(ccc1Br)C(=O)OC 527a_100102657272_100010710364 [0,2,0,0,0,0|2,0,0]=4 5451 B15R1.11778 CNC(=O)c1cc(ccc1Cl)C(=O)OC 11a_106832991635_200000732520 [0,2,0,0,0,0|2,0,0]=4 5452 B15R1.11778 CNC(=O)c1cc(ccc1Cl)C(=O)OC 1626a_100102657272_200000732520 [0,2,0,0,0,0|2,0,0]=4 5453 B15R1.11778 CNC(=O)c1cc(ccc1Cl)C(=O)OC 240690a_100102657272_200000732520 [0,2,0,0,0,0|2,0,0]=4 5454 B15R1.11778 CNC(=O)c1cc(ccc1Cl)C(=O)OC 527a_100102657272_200000732520 [0,2,0,0,0,0|2,0,0]=4 5455 B15R1.11778 CNC(=O)c1ccc(c(c1)C(=O)OC)C 11a_106832991635_100000080026 [0,2,0,0,0,0|2,0,0]=4 5456 B15R1.11778 CNC(=O)c1ccc(c(c1)C(=O)OC)C 1626a_100102657272_100000080026 [0,2,0,0,0,0|2,0,0]=4 5457 B15R1.11778 CNC(=O)c1ccc(c(c1)C(=O)OC)C 240690a_100102657272_100000080026 [0,2,0,0,0,0|2,0,0]=4 5458 B15R1.11778 CNC(=O)c1ccc(c(c1)C(=O)OC)C 527a_100102657272_100000080026 [0,2,0,0,0,0|2,0,0]=4 5459 B15R1.11778 COC(=O)c1ccc(c(c1)C(=O)CF)Br 1458a_100010710364_100015361967 [0,2,0,0,0,0|2,0,0]=4 5460 B15R1.11778 COC(=O)c1ccc(c(c1)C(=O)CF)Cl 1458a_200000732520_100015361967 [0,2,0,0,0,0|2,0,0]=4 5461 B15R1.11778 COC(=O)c1ccc(c(c1)C(=O)OC)O 271570a_203496583355_200009991623 [0,2,0,0,0,0|0,0,0]=2 5462 B15R1.27278 CC=Cc1c(ccc(c1C)C(=O)OC)C 271570a_100016259895_200010734123 [0,2,0,0,0,0|2,0,0]=4 5463 B15R1.27278 CC=Cc1c(ccc(c1C)C(=O)OC)N 271570a_100016259895_100010764323 [0,2,0,0,0,0|2,0,0]=4 5464 B15R1.27278 CC=Cc1c(ccc(c1Cl)C(=O)OC)N 271570a_100016259895_200016031531 [0,2,0,0,0,0|2,0,0]=4 5465 B15R1.27278 CC=Cc1c(ccc(c1F)C(=O)OC)F 271570a_100016259895_100000697099 [0,2,0,0,0,0|2,0,0]=4 5466 B15R1.27278 CCOc1c(ccc(c1C)C(=O)OC)Br 34a_100010889012_100000210202 [0,2,0,0,0,0|1,0,0]=3 5467 B15R1.27278 CCOc1c(ccc(c1C)C(=O)OC)Br 7a_100010889012_100000210202 [0,2,0,0,0,0|1,0,0]=3 5468 B15R1.27278 CCOc1c(ccc(c1F)C(=O)CC)Cl 1458a_100010116260_100000210202 [0,2,0,0,0,0|2,0,0]=4 5469 B15R1.27278 CCOc1c(ccc(c1F)C(=O)CC)F 1458a_100000061585_100000210202 [0,2,0,0,0,0|2,0,0]=4 5470 B15R1.27278 CCOc1c(ccc(c1F)C(=O)NC)Cl 11a_106832991635_100010116260 [0,2,0,0,0,0|2,0,0]=4 5471 B15R1.27278 CCOc1c(ccc(c1F)C(=O)NC)Cl 1626a_100102657272_100010116260 [0,2,0,0,0,0|2,0,0]=4 5472 B15R1.27278 CCOc1c(ccc(c1F)C(=O)NC)Cl 240690a_100102657272_100010116260 [0,2,0,0,0,0|2,0,0]=4 5473 B15R1.27278 CCOc1c(ccc(c1F)C(=O)NC)Cl 527a_100102657272_100010116260 [0,2,0,0,0,0|2,0,0]=4 5474 B15R1.27278 CCOc1c(ccc(c1F)C(=O)NC)F 11a_106832991635_100000061585 [0,2,0,0,0,0|2,0,0]=4 5475 B15R1.27278 CCOc1c(ccc(c1F)C(=O)NC)F 1626a_100102657272_100000061585 [0,2,0,0,0,0|2,0,0]=4 5476 B15R1.27278 CCOc1c(ccc(c1F)C(=O)NC)F 240690a_100102657272_100000061585 [0,2,0,0,0,0|2,0,0]=4 5477 B15R1.27278 CCOc1c(ccc(c1F)C(=O)NC)F 527a_100102657272_100000061585 [0,2,0,0,0,0|2,0,0]=4 5478 B15R1.27278 CCOc1c(ccc(c1F)C(=O)OC)Br 34a_100011096176_100000210202 [0,2,0,0,0,0|1,0,0]=3 5479 B15R1.27278 CCOc1c(ccc(c1F)C(=O)OC)Br 7a_100011096176_100000210202 [0,2,0,0,0,0|1,0,0]=3 5480 B15R1.27278 CCSc1c(ccc(c1C)C(=O)OC)C 62a_100000210202_200010734123 [0,2,0,0,0,0|1,1,0]=4 5481 B15R1.27278 CCSc1c(ccc(c1C)C(=O)OC)C 62a_200010734123_100000210202 [0,2,0,0,0,0|1,1,0]=4 5482 B15R1.27278 CCSc1c(ccc(c1C)C(=O)OC)N 62a_100000210202_100010764323 [0,2,0,0,0,0|1,1,0]=4 5483 B15R1.27278 CCSc1c(ccc(c1C)C(=O)OC)N 62a_100010764323_100000210202 [0,2,0,0,0,0|1,1,0]=4 5484 B15R1.27278 CCSc1c(ccc(c1Cl)C(=O)OC)N 62a_100000210202_200016031531 [0,2,0,0,0,0|1,1,0]=4 5485 B15R1.27278 CCSc1c(ccc(c1Cl)C(=O)OC)N 62a_200016031531_100000210202 [0,2,0,0,0,0|1,1,0]=4 5486 B15R1.27278 CCSc1c(ccc(c1F)C(=O)OC)F 62a_100000210202_100000697099 [0,2,0,0,0,0|1,1,0]=4 5487 B15R1.27278 CCSc1c(ccc(c1F)C(=O)OC)F 62a_100000697099_100000210202 [0,2,0,0,0,0|1,1,0]=4 5488 B15R1.27278 CNCc1c(ccc(c1F)C(=O)OC)Br 26a_100102657272_100011096176 [0,2,0,0,0,0|2,0,0]=4 5489 B15R1.27278 COC(=O)c1ccc(c(c1C)OCF)Br 34a_100010889012_100015361967 [0,2,0,0,0,0|1,0,0]=3 5490 B15R1.27278 COC(=O)c1ccc(c(c1C)OCF)Br 7a_100010889012_100015361967 [0,2,0,0,0,0|1,0,0]=3 5491 B15R1.27278 COC(=O)c1ccc(c(c1C)SCF)C 62a_100015361967_200010734123 [0,2,0,0,0,0|1,1,0]=4 5492 B15R1.27278 COC(=O)c1ccc(c(c1C)SCF)C 62a_200010734123_100015361967 [0,2,0,0,0,0|1,1,0]=4 5493 B15R1.27278 COC(=O)c1ccc(c(c1C)SCF)N 62a_100010764323_100015361967 [0,2,0,0,0,0|1,1,0]=4 5494 B15R1.27278 COC(=O)c1ccc(c(c1C)SCF)N 62a_100015361967_100010764323 [0,2,0,0,0,0|1,1,0]=4 5495 B15R1.27278 COC(=O)c1ccc(c(c1Cl)SCF)N 62a_100015361967_200016031531 [0,2,0,0,0,0|1,1,0]=4 5496 B15R1.27278 COC(=O)c1ccc(c(c1Cl)SCF)N 62a_200016031531_100015361967 [0,2,0,0,0,0|1,1,0]=4 5497 B15R1.27278 COC(=O)c1ccc(c(c1F)OCF)Br 34a_100011096176_100015361967 [0,2,0,0,0,0|1,0,0]=3 5498 B15R1.27278 COC(=O)c1ccc(c(c1F)OCF)Br 7a_100011096176_100015361967 [0,2,0,0,0,0|1,0,0]=3 5499 B15R1.27278 COC(=O)c1ccc(c(c1F)SCF)F 62a_100000697099_100015361967 [0,2,0,0,0,0|1,1,0]=4 5500 B15R1.27278 COC(=O)c1ccc(c(c1F)SCF)F 62a_100015361967_100000697099 [0,2,0,0,0,0|1,1,0]=4 5501 B15R1.27362 CC=Cc1cc(c(cc1C)C)C(=O)OC 271570a_100016259895_200012360129 [0,2,0,0,0,0|2,0,0]=4 5502 B15R1.27362 CC=Cc1cc(c(cc1C)Cl)C(=O)OC 271570a_100016259895_100014124666 [0,2,0,0,0,0|2,0,0]=4 5503 B15R1.27362 CC=Cc1cc(c(cc1C)F)C(=O)OC 271570a_100016259895_100012920548 [0,2,0,0,0,0|2,0,0]=4 5504 B15R1.27362 CC=Cc1cc(c(cc1C)N)C(=O)OC 271570a_100016259895_100010892302 [0,2,0,0,0,0|2,0,0]=4 5505 B15R1.27362 CC=Cc1cc(c(cc1C)O)C(=O)OC 271570a_100016259895_100010233952 [0,2,0,0,0,0|2,0,0]=4 5506 B15R1.27362 CC=Cc1cc(c(cc1Cl)F)C(=O)OC 271570a_100016259895_100012920370 [0,2,0,0,0,0|2,0,0]=4 5507 B15R1.27362 CC=Cc1cc(c(cc1Cl)N)C(=O)OC 271570a_100016259895_100010253894 [0,2,0,0,0,0|2,0,0]=4 5508 B15R1.27362 CC=Cc1cc(c(cc1F)C)C(=O)OC 271570a_100016259895_100013328185 [0,2,0,0,0,0|2,0,0]=4 5509 B15R1.27362 CC=Cc1cc(c(cc1F)F)C(=O)OC 271570a_100016259895_100000718433 [0,2,0,0,0,0|2,0,0]=4 5510 B15R1.27362 CC=Cc1cc(c(cc1F)N)C(=O)OC 271570a_100016259895_100000699149 [0,2,0,0,0,0|2,0,0]=4 5511 B15R1.27362 CC=Cc1cc(c(cc1F)O)C(=O)OC 271570a_100016259895_100010371811 [0,2,0,0,0,0|2,0,0]=4 5512 B15R1.27362 CC=Cc1cc(c(cc1N)C)C(=O)OC 271570a_100016259895_100010236254 [0,2,0,0,0,0|2,0,0]=4 5513 B15R1.27362 CC=Cc1cc(c(cc1N)Cl)C(=O)OC 271570a_100016259895_100010204190 [0,2,0,0,0,0|2,0,0]=4 5514 B15R1.27362 CC=Cc1cc(c(cc1N)F)C(=O)OC 271570a_100016259895_100010764354 [0,2,0,0,0,0|2,0,0]=4 5515 B15R1.27362 CC=Cc1cc(c(cc1N)O)C(=O)OC 271570a_100016259895_100010075205 [0,2,0,0,0,0|2,0,0]=4 5516 B15R1.27362 CC=Cc1cc(c(nc1O)C)C(=O)OC 271570a_100016259895_100000729808 [0,2,0,0,0,0|2,0,0]=4 5517 B15R1.27362 CCOc1cc(c(cc1C)F)C(=O)OC 34a_100009839768_100000210202 [0,2,0,0,0,0|1,0,0]=3 5518 B15R1.27362 CCOc1cc(c(cc1C)F)C(=O)OC 7a_100009839768_100000210202 [0,2,0,0,0,0|1,0,0]=3 5519 B15R1.27362 CCOc1cc(c(cc1F)Cl)C(=O)OC 34a_100010071070_100000210202 [0,2,0,0,0,0|1,0,0]=3 5520 B15R1.27362 CCOc1cc(c(cc1F)Cl)C(=O)OC 7a_100010071070_100000210202 [0,2,0,0,0,0|1,0,0]=3 5521 B15R1.27362 CCOc1cc(c(cc1F)N)C(=O)OC 34a_100011586606_100000210202 [0,2,0,0,0,0|1,0,0]=3 5522 B15R1.27362 CCOc1cc(c(cc1F)N)C(=O)OC 7a_100011586606_100000210202 [0,2,0,0,0,0|1,0,0]=3 5523 B15R1.27362 CCSc1cc(c(cc1C)C)C(=O)OC 62a_100000210202_200012360129 [0,2,0,0,0,0|1,1,0]=4 5524 B15R1.27362 CCSc1cc(c(cc1C)C)C(=O)OC 62a_200012360129_100000210202 [0,2,0,0,0,0|1,1,0]=4 5525 B15R1.27362 CCSc1cc(c(cc1C)Cl)C(=O)OC 62a_100000210202_100014124666 [0,2,0,0,0,0|1,1,0]=4 5526 B15R1.27362 CCSc1cc(c(cc1C)Cl)C(=O)OC 62a_100014124666_100000210202 [0,2,0,0,0,0|1,1,0]=4 5527 B15R1.27362 CCSc1cc(c(cc1C)F)C(=O)OC 62a_100000210202_100012920548 [0,2,0,0,0,0|1,1,0]=4 5528 B15R1.27362 CCSc1cc(c(cc1C)F)C(=O)OC 62a_100012920548_100000210202 [0,2,0,0,0,0|1,1,0]=4 5529 B15R1.27362 CCSc1cc(c(cc1C)N)C(=O)OC 62a_100000210202_100010892302 [0,2,0,0,0,0|1,1,0]=4 5530 B15R1.27362 CCSc1cc(c(cc1C)N)C(=O)OC 62a_100010892302_100000210202 [0,2,0,0,0,0|1,1,0]=4 5531 B15R1.27362 CCSc1cc(c(cc1C)O)C(=O)OC 62a_100000210202_100010233952 [0,2,0,0,0,0|1,1,0]=4 5532 B15R1.27362 CCSc1cc(c(cc1C)O)C(=O)OC 62a_100010233952_100000210202 [0,2,0,0,0,0|1,1,0]=4 5533 B15R1.27362 CCSc1cc(c(cc1Cl)F)C(=O)OC 62a_100000210202_100012920370 [0,2,0,0,0,0|1,1,0]=4 5534 B15R1.27362 CCSc1cc(c(cc1Cl)F)C(=O)OC 62a_100012920370_100000210202 [0,2,0,0,0,0|1,1,0]=4 5535 B15R1.27362 CCSc1cc(c(cc1Cl)N)C(=O)OC 62a_100010253894_100000210202 [0,2,0,0,0,0|1,1,0]=4 5536 B15R1.27362 CCSc1cc(c(cc1F)C)C(=O)OC 62a_100000210202_100013328185 [0,2,0,0,0,0|1,1,0]=4 5537 B15R1.27362 CCSc1cc(c(cc1F)C)C(=O)OC 62a_100013328185_100000210202 [0,2,0,0,0,0|1,1,0]=4 5538 B15R1.27362 CCSc1cc(c(cc1F)F)C(=O)OC 62a_100000210202_100000718433 [0,2,0,0,0,0|1,1,0]=4 5539 B15R1.27362 CCSc1cc(c(cc1F)F)C(=O)OC 62a_100000718433_100000210202 [0,2,0,0,0,0|1,1,0]=4 5540 B15R1.27362 CCSc1cc(c(cc1F)N)C(=O)OC 62a_100000699149_100000210202 [0,2,0,0,0,0|1,1,0]=4 5541 B15R1.27362 CCSc1cc(c(cc1F)O)C(=O)OC 62a_100000210202_100010371811 [0,2,0,0,0,0|1,1,0]=4 5542 B15R1.27362 CCSc1cc(c(cc1F)O)C(=O)OC 62a_100010371811_100000210202 [0,2,0,0,0,0|1,1,0]=4 5543 B15R1.27362 CCSc1cc(c(cc1N)C)C(=O)OC 62a_100000210202_100010236254 [0,2,0,0,0,0|1,1,0]=4 5544 B15R1.27362 CCSc1cc(c(cc1N)C)C(=O)OC 62a_100010236254_100000210202 [0,2,0,0,0,0|1,1,0]=4 5545 B15R1.27362 CCSc1cc(c(cc1N)Cl)C(=O)OC 62a_100010204190_100000210202 [0,2,0,0,0,0|1,1,0]=4 5546 B15R1.27362 CCSc1cc(c(cc1N)F)C(=O)OC 62a_100010764354_100000210202 [0,2,0,0,0,0|1,1,0]=4 5547 B15R1.27362 CCSc1cc(c(cc1N)O)C(=O)OC 62a_100010075205_100000210202 [0,2,0,0,0,0|1,1,0]=4 5548 B15R1.27362 CCSc1cc(c(nc1O)C)C(=O)OC 62a_100000210202_100000729808 [0,2,0,0,0,0|1,1,0]=4 5549 B15R1.27362 CCSc1cc(c(nc1O)C)C(=O)OC 62a_100000729808_100000210202 [0,2,0,0,0,0|1,1,0]=4 5550 B15R1.27362 COC(=O)c1cc(c(cc1C)C)SCF 62a_100015361967_200012360129 [0,2,0,0,0,0|1,1,0]=4 5551 B15R1.27362 COC(=O)c1cc(c(cc1C)C)SCF 62a_200012360129_100015361967 [0,2,0,0,0,0|1,1,0]=4 5552 B15R1.27362 COC(=O)c1cc(c(cc1C)F)SCF 62a_100013328185_100015361967 [0,2,0,0,0,0|1,1,0]=4 5553 B15R1.27362 COC(=O)c1cc(c(cc1C)F)SCF 62a_100015361967_100013328185 [0,2,0,0,0,0|1,1,0]=4 5554 B15R1.27362 COC(=O)c1cc(c(cc1C)N)SCF 62a_100010236254_100015361967 [0,2,0,0,0,0|1,1,0]=4 5555 B15R1.27362 COC(=O)c1cc(c(cc1C)N)SCF 62a_100015361967_100010236254 [0,2,0,0,0,0|1,1,0]=4 5556 B15R1.27362 COC(=O)c1cc(c(cc1Cl)C)SCF 62a_100014124666_100015361967 [0,2,0,0,0,0|1,1,0]=4 5557 B15R1.27362 COC(=O)c1cc(c(cc1Cl)C)SCF 62a_100015361967_100014124666 [0,2,0,0,0,0|1,1,0]=4 5558 B15R1.27362 COC(=O)c1cc(c(cc1Cl)F)OCF 34a_100010071070_100015361967 [0,2,0,0,0,0|1,0,0]=3 5559 B15R1.27362 COC(=O)c1cc(c(cc1Cl)F)OCF 7a_100010071070_100015361967 [0,2,0,0,0,0|1,0,0]=3 5560 B15R1.27362 COC(=O)c1cc(c(cc1Cl)N)SCF 62a_100010204190_100015361967 [0,2,0,0,0,0|1,1,0]=4 5561 B15R1.27362 COC(=O)c1cc(c(cc1F)C)OCF 34a_100009839768_100015361967 [0,2,0,0,0,0|1,0,0]=3 5562 B15R1.27362 COC(=O)c1cc(c(cc1F)C)OCF 7a_100009839768_100015361967 [0,2,0,0,0,0|1,0,0]=3 5563 B15R1.27362 COC(=O)c1cc(c(cc1F)C)SCF 62a_100012920548_100015361967 [0,2,0,0,0,0|1,1,0]=4 5564 B15R1.27362 COC(=O)c1cc(c(cc1F)C)SCF 62a_100015361967_100012920548 [0,2,0,0,0,0|1,1,0]=4 5565 B15R1.27362 COC(=O)c1cc(c(cc1F)Cl)SCF 62a_100012920370_100015361967 [0,2,0,0,0,0|1,1,0]=4 5566 B15R1.27362 COC(=O)c1cc(c(cc1F)Cl)SCF 62a_100015361967_100012920370 [0,2,0,0,0,0|1,1,0]=4 5567 B15R1.27362 COC(=O)c1cc(c(cc1F)F)SCF 62a_100000718433_100015361967 [0,2,0,0,0,0|1,1,0]=4 5568 B15R1.27362 COC(=O)c1cc(c(cc1F)F)SCF 62a_100015361967_100000718433 [0,2,0,0,0,0|1,1,0]=4 5569 B15R1.27362 COC(=O)c1cc(c(cc1F)N)SCF 62a_100010764354_100015361967 [0,2,0,0,0,0|1,1,0]=4 5570 B15R1.27362 COC(=O)c1cc(c(cc1N)C)SCF 62a_100010892302_100015361967 [0,2,0,0,0,0|1,1,0]=4 5571 B15R1.27362 COC(=O)c1cc(c(cc1N)C)SCF 62a_100015361967_100010892302 [0,2,0,0,0,0|1,1,0]=4 5572 B15R1.27362 COC(=O)c1cc(c(cc1N)Cl)SCF 62a_100010253894_100015361967 [0,2,0,0,0,0|1,1,0]=4 5573 B15R1.27362 COC(=O)c1cc(c(cc1N)F)OCF 34a_100011586606_100015361967 [0,2,0,0,0,0|1,0,0]=3 5574 B15R1.27362 COC(=O)c1cc(c(cc1N)F)OCF 7a_100011586606_100015361967 [0,2,0,0,0,0|1,0,0]=3 5575 B15R1.27362 COC(=O)c1cc(c(cc1N)F)SCF 62a_100000699149_100015361967 [0,2,0,0,0,0|1,1,0]=4 5576 B15R1.27362 COC(=O)c1cc(c(cc1O)C)SCF 62a_100010233952_100015361967 [0,2,0,0,0,0|1,1,0]=4 5577 B15R1.27362 COC(=O)c1cc(c(cc1O)C)SCF 62a_100015361967_100010233952 [0,2,0,0,0,0|1,1,0]=4 5578 B15R1.27362 COC(=O)c1cc(c(cc1O)F)SCF 62a_100010371811_100015361967 [0,2,0,0,0,0|1,1,0]=4 5579 B15R1.27362 COC(=O)c1cc(c(cc1O)F)SCF 62a_100015361967_100010371811 [0,2,0,0,0,0|1,1,0]=4 5580 B15R1.27362 COC(=O)c1cc(c(cc1O)N)SCF 62a_100010075205_100015361967 [0,2,0,0,0,0|1,1,0]=4 5581 B15R1.27362 COC(=O)c1cc(c(nc1C)O)SCF 62a_100000729808_100015361967 [0,2,0,0,0,0|1,1,0]=4 5582 B15R1.27362 COC(=O)c1cc(c(nc1C)O)SCF 62a_100015361967_100000729808 [0,2,0,0,0,0|1,1,0]=4 5583 B15R1.815 C#CCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000184674 [0,2,0,0,0,0|1,0,1]=4 5584 B15R1.815 C=CCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000210623 [0,2,0,0,0,0|1,0,1]=4 5585 B15R1.815 C=Cc1cc(ccc1OC)C(=O)OCC 271570a_100011290941_100012360133 [0,2,0,0,0,0|1,0,1]=4 5586 B15R1.815 C=Cc1ccc(cc1OC)C(=O)OCC 271570a_100011290941_100010189661 [0,2,0,0,0,0|1,0,0]=3 5587 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)C#N 1458a_100009879710_100000210303 [0,2,0,0,0,0|2,0,0]=4 5588 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000210303 [0,2,0,0,0,0|1,0,0]=3 5589 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)OC 34a_200010659475_200000210301 [0,2,0,0,0,0|1,0,0]=3 5590 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)OC 7a_200010659475_200000210301 [0,2,0,0,0,0|1,0,0]=3 5591 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_200010659475_200025704644 [0,2,0,0,0,0|1,0,0]=3 5592 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_200010659475_200025704644 [0,2,0,0,0,0|1,0,0]=3 5593 B15R1.815 CCNC(=O)c1ccc(c(c1)OC)C#N 11a_100015525214_100009879710 [0,2,0,0,0,0|2,0,0]=4 5594 B15R1.815 CCNC(=O)c1ccc(c(c1)OC)C#N 240690a_100015525214_100009879710 [0,2,0,0,0,0|2,0,0]=4 5595 B15R1.815 CCNC(=O)c1ccc(c(c1)OC)C#N 527a_100015525214_100009879710 [0,2,0,0,0,0|2,0,0]=4 5596 B15R1.815 CCNC(=O)c1ccc(c(c1)OC)OC 11a_100015525214_100000211223 [0,2,0,0,0,0|1,0,0]=3 5597 B15R1.815 CCNC(=O)c1ccc(c(c1)OC)OC 240690a_100015525214_100000211223 [0,2,0,0,0,0|1,0,0]=3 5598 B15R1.815 CCNC(=O)c1ccc(c(c1)OC)OC 527a_100015525214_100000211223 [0,2,0,0,0,0|1,0,0]=3 5599 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)OC 7a_100000038551_200000210301 [0,2,0,0,0,0|0,0,0]=2 5600 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000038551_200025704644 [0,2,0,0,0,0|0,0,0]=2 5601 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)SC 62a_100010189661_200000210301 [0,2,0,0,0,0|0,1,0]=3 5602 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)SC 62a_200000210301_100010189661 [0,2,0,0,0,0|0,1,0]=3 5603 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)S[13CH3] 62a_100010189661_200025704644 [0,2,0,0,0,0|0,1,0]=3 5604 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100010189661 [0,2,0,0,0,0|0,1,0]=3 5605 B15R1.815 CCOC(=O)c1ccc(c(c1)SC)C#N 62a_200000210301_100010172520 [0,2,0,0,0,0|1,1,0]=4 5606 B15R1.815 CCOC(=O)c1ccc(c(c1)SC)C=O 62a_100010291780_200000210301 [0,2,0,0,0,0|0,1,1]=4 5607 B15R1.815 CCOC(=O)c1ccc(c(c1)SC)C=O 62a_200000210301_100010291780 [0,2,0,0,0,0|0,1,1]=4 5608 B15R1.815 CCOC(=O)c1ccc(c(c1)SC)CC 62a_200000210301_200012360145 [0,2,0,0,0,0|1,1,0]=4 5609 B15R1.815 CCOC(=O)c1ccc(c(c1)SC)CC 62a_200012360145_200000210301 [0,2,0,0,0,0|1,1,0]=4 5610 B15R1.815 CCOC(=O)c1ccc(c(c1)SC)OC 62a_100012360133_200000210301 [0,2,0,0,0,0|0,1,0]=3 5611 B15R1.815 CCOC(=O)c1ccc(c(c1)SC)OC 62a_200000210301_100012360133 [0,2,0,0,0,0|0,1,0]=3 5612 B15R1.815 CCOC(=O)c1ccc(c(c1)S[13CH3])C#N 62a_200025704644_100010172520 [0,2,0,0,0,0|1,1,0]=4 5613 B15R1.815 CCOC(=O)c1ccc(c(c1)S[13CH3])C=O 62a_100010291780_200025704644 [0,2,0,0,0,0|0,1,1]=4 5614 B15R1.815 CCOC(=O)c1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100010291780 [0,2,0,0,0,0|0,1,1]=4 5615 B15R1.815 CCOC(=O)c1ccc(c(c1)S[13CH3])CC 62a_200012360145_200025704644 [0,2,0,0,0,0|1,1,0]=4 5616 B15R1.815 CCOC(=O)c1ccc(c(c1)S[13CH3])CC 62a_200025704644_200012360145 [0,2,0,0,0,0|1,1,0]=4 5617 B15R1.815 CCOC(=O)c1ccc(c(c1)S[13CH3])OC 62a_100012360133_200025704644 [0,2,0,0,0,0|0,1,0]=3 5618 B15R1.815 CCOC(=O)c1ccc(c(c1)S[13CH3])OC 62a_200025704644_100012360133 [0,2,0,0,0,0|0,1,0]=3 5619 B15R1.815 CCOC(C)c1ccc(c(c1)OC)OC 34a_100000246476_100000210202 [0,2,0,0,0,0|1,0,1]=4 5620 B15R1.815 CCOC(C)c1ccc(c(c1)OC)OC 7a_100000246476_100000210202 [0,2,0,0,0,0|1,0,1]=4 5621 B15R1.815 CNCC(=O)c1ccc(c(c1)OC)OC 2230a_106832991635_100000184214 [0,2,0,0,0,0|1,0,0]=3 5622 B15R1.815 CNCC(=O)c1ccc(c(c1)OC)OC 7a_106832991635_100000184214 [0,2,0,0,0,0|1,0,0]=3 5623 B15R1.815 CNNC(=O)c1ccc(c(c1)OC)C#N 22a_100016993582_100009879710 [0,2,0,0,0,0|2,0,0]=4 5624 B15R1.815 CNNC(=O)c1ccc(c(c1)OC)OC 22a_100016993582_100000211223 [0,2,0,0,0,0|1,0,0]=3 5625 B15R1.815 COC[C@H](N)c1ccc(c(c1)OC)OC 34a_100009818805_200000210301 [0,2,0,0,0,0|1,0,1]=4 5626 B15R1.815 COc1cc(ccc1C#N)C(=O)CCF 1458a_100009879710_100011217306 [0,2,0,0,0,0|2,0,0]=4 5627 B15R1.815 COc1cc(ccc1C#N)C(=O)CCO 1458a_100009879710_100000211926 [0,2,0,0,0,0|2,0,0]=4 5628 B15R1.815 COc1ccc(cc1OC)C(=O)CC#N 1458a_100000211223_100011214920 [0,2,0,0,0,0|1,0,1]=4 5629 B15R1.815 COc1ccc(cc1OC)C(=O)CCF 1458a_100000211223_100011217306 [0,2,0,0,0,0|1,0,0]=3 5630 B15R1.815 COc1ccc(cc1OC)C(=O)CCO 1458a_100000211223_100000211926 [0,2,0,0,0,0|1,0,0]=3 5631 B15R1.815 COc1ccc(cc1OC)C(=O)CSC 62a_100000184214_200000210301 [0,2,0,0,0,0|0,1,0]=3 5632 B15R1.815 COc1ccc(cc1OC)C(=O)CS[13CH3] 62a_100000184214_200025704644 [0,2,0,0,0,0|0,1,0]=3 5633 B15R1.815 COc1ccc(cc1OC)C(C)OCF 34a_100000246476_100015361967 [0,2,0,0,0,0|1,0,1]=4 5634 B15R1.815 COc1ccc(cc1OC)C(C)OCF 7a_100000246476_100015361967 [0,2,0,0,0,0|1,0,1]=4 5635 B15R1.815 COc1ccc(cc1OC)[C@@H](N)CO[13CH3] 34a_100009818805_200025704644 [0,2,0,0,0,0|1,0,1]=4 5636 B15R1.816 C=C(C)c1cc(ccc1C)C(=O)OCC 271570a_100000694244_100012359631 [0,2,0,0,0,0|2,0,0]=4 5637 B15R1.816 C=C(C)c1cc(ccc1F)C(=O)OCC 271570a_100000694244_100011934563 [0,2,0,0,0,0|2,0,0]=4 5638 B15R1.816 C=C(C)c1cc(ccc1N)C(=O)OCC 271570a_100000694244_100161115259 [0,2,0,0,0,0|2,0,0]=4 5639 B15R1.816 C=C(C)c1cc(ccc1O)C(=O)OCC 271570a_100000694244_100009812659 [0,2,0,0,0,0|1,0,0]=3 5640 B15R1.816 C=C(C)c1cc(cnc1O)C(=O)OCC 271570a_100000694244_100010004467 [0,2,0,0,0,0|2,0,0]=4 5641 B15R1.816 CCOC(=O)c1ccc(c(c1)B(O)O)O 271570a_203496583355_200000069431 [0,2,0,0,0,0|2,0,0]=4 5642 B15R1.1243 C#CCCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000753159 [0,2,0,0,0,0|2,0,0]=4 5643 B15R1.1243 C#CCCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000753159 [0,2,0,0,0,0|2,0,0]=4 5644 B15R1.1243 C#CCCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000753159 [0,2,0,0,0,0|2,0,0]=4 5645 B15R1.1243 C#CCCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000753159 [0,2,0,0,0,0|2,0,0]=4 5646 B15R1.1243 C#CCCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000753159 [0,2,0,0,0,0|2,0,0]=4 5647 B15R1.1243 C#CCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000753159 [0,2,0,0,0,0|1,0,0]=3 5648 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)Br 11a_100000212058_100011934951 [0,2,0,0,0,0|2,0,0]=4 5649 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)Br 1626a_100000212058_100011934951 [0,2,0,0,0,0|2,0,0]=4 5650 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)Br 240690a_100000212058_100011934951 [0,2,0,0,0,0|2,0,0]=4 5651 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)Br 527a_100000212058_100011934951 [0,2,0,0,0,0|2,0,0]=4 5652 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)C 11a_100000212058_100000212341 [0,2,0,0,0,0|2,0,0]=4 5653 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)C 1626a_100000212058_100000212341 [0,2,0,0,0,0|2,0,0]=4 5654 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)C 240690a_100000212058_100000212341 [0,2,0,0,0,0|2,0,0]=4 5655 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)C 527a_100000212058_100000212341 [0,2,0,0,0,0|2,0,0]=4 5656 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)Cl 11a_100000212058_100000181799 [0,2,0,0,0,0|2,0,0]=4 5657 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)Cl 1626a_100000212058_100000181799 [0,2,0,0,0,0|2,0,0]=4 5658 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)Cl 240690a_100000212058_100000181799 [0,2,0,0,0,0|2,0,0]=4 5659 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)Cl 527a_100000212058_100000181799 [0,2,0,0,0,0|2,0,0]=4 5660 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)F 11a_100000212058_100000757635 [0,2,0,0,0,0|2,0,0]=4 5661 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)F 1626a_100000212058_100000757635 [0,2,0,0,0,0|2,0,0]=4 5662 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)F 240690a_100000212058_100000757635 [0,2,0,0,0,0|2,0,0]=4 5663 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)F 527a_100000212058_100000757635 [0,2,0,0,0,0|2,0,0]=4 5664 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)I 11a_100000212058_100012356290 [0,2,0,0,0,0|2,0,0]=4 5665 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)I 1626a_100000212058_100012356290 [0,2,0,0,0,0|2,0,0]=4 5666 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)I 240690a_100000212058_100012356290 [0,2,0,0,0,0|2,0,0]=4 5667 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)I 527a_100000212058_100012356290 [0,2,0,0,0,0|2,0,0]=4 5668 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)O 240690a_100000212058_100000687070 [0,2,0,0,0,0|1,0,0]=3 5669 B15R1.1243 C/C=C/CC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100102629194 [0,2,0,0,0,0|2,0,0]=4 5670 B15R1.1243 C/C=C/CC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100102629194 [0,2,0,0,0,0|2,0,0]=4 5671 B15R1.1243 C/C=C/CC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100102629194 [0,2,0,0,0,0|2,0,0]=4 5672 B15R1.1243 C/C=C/CC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100102629194 [0,2,0,0,0,0|2,0,0]=4 5673 B15R1.1243 C/C=C/CC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100102629194 [0,2,0,0,0,0|2,0,0]=4 5674 B15R1.1243 C/C=C/CC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100102629194 [0,2,0,0,0,0|1,0,0]=3 5675 B15R1.1243 C=CCCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000754431 [0,2,0,0,0,0|2,0,0]=4 5676 B15R1.1243 C=CCCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000754431 [0,2,0,0,0,0|2,0,0]=4 5677 B15R1.1243 C=CCCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000754431 [0,2,0,0,0,0|2,0,0]=4 5678 B15R1.1243 C=CCCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000754431 [0,2,0,0,0,0|2,0,0]=4 5679 B15R1.1243 C=CCCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000754431 [0,2,0,0,0,0|2,0,0]=4 5680 B15R1.1243 C=CCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000754431 [0,2,0,0,0,0|1,0,0]=3 5681 B15R1.1243 C=CCNC(=O)c1ccc(c(c1)OC)Br 1626a_100020586998_100011934951 [0,2,0,0,0,0|2,0,0]=4 5682 B15R1.1243 C=CCNC(=O)c1ccc(c(c1)OC)Br 240690a_100020586998_100011934951 [0,2,0,0,0,0|2,0,0]=4 5683 B15R1.1243 C=CCNC(=O)c1ccc(c(c1)OC)Br 527a_100020586998_100011934951 [0,2,0,0,0,0|2,0,0]=4 5684 B15R1.1243 C=CCNC(=O)c1ccc(c(c1)OC)C 1626a_100020586998_100000212341 [0,2,0,0,0,0|2,0,0]=4 5685 B15R1.1243 C=CCNC(=O)c1ccc(c(c1)OC)C 240690a_100020586998_100000212341 [0,2,0,0,0,0|2,0,0]=4 5686 B15R1.1243 C=CCNC(=O)c1ccc(c(c1)OC)C 527a_100020586998_100000212341 [0,2,0,0,0,0|2,0,0]=4 5687 B15R1.1243 C=CCNC(=O)c1ccc(c(c1)OC)Cl 1626a_100020586998_100000181799 [0,2,0,0,0,0|2,0,0]=4 5688 B15R1.1243 C=CCNC(=O)c1ccc(c(c1)OC)Cl 240690a_100020586998_100000181799 [0,2,0,0,0,0|2,0,0]=4 5689 B15R1.1243 C=CCNC(=O)c1ccc(c(c1)OC)Cl 527a_100020586998_100000181799 [0,2,0,0,0,0|2,0,0]=4 5690 B15R1.1243 C=CCNC(=O)c1ccc(c(c1)OC)F 1626a_100020586998_100000757635 [0,2,0,0,0,0|2,0,0]=4 5691 B15R1.1243 C=CCNC(=O)c1ccc(c(c1)OC)F 240690a_100020586998_100000757635 [0,2,0,0,0,0|2,0,0]=4 5692 B15R1.1243 C=CCNC(=O)c1ccc(c(c1)OC)F 527a_100020586998_100000757635 [0,2,0,0,0,0|2,0,0]=4 5693 B15R1.1243 C=CCNC(=O)c1ccc(c(c1)OC)I 1626a_100020586998_100012356290 [0,2,0,0,0,0|2,0,0]=4 5694 B15R1.1243 C=CCNC(=O)c1ccc(c(c1)OC)I 240690a_100020586998_100012356290 [0,2,0,0,0,0|2,0,0]=4 5695 B15R1.1243 C=CCNC(=O)c1ccc(c(c1)OC)I 527a_100020586998_100012356290 [0,2,0,0,0,0|2,0,0]=4 5696 B15R1.1243 C=CCNC(=O)c1ccc(c(c1)OC)O 240690a_100020586998_100000687070 [0,2,0,0,0,0|1,0,0]=3 5697 B15R1.1243 CC#CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000748600 [0,2,0,0,0,0|2,0,0]=4 5698 B15R1.1243 CC#CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000748600 [0,2,0,0,0,0|2,0,0]=4 5699 B15R1.1243 CC#CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000748600 [0,2,0,0,0,0|2,0,0]=4 5700 B15R1.1243 CC#CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000748600 [0,2,0,0,0,0|2,0,0]=4 5701 B15R1.1243 CC#CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000748600 [0,2,0,0,0,0|2,0,0]=4 5702 B15R1.1243 CC#CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000748600 [0,2,0,0,0,0|1,0,0]=3 5703 B15R1.1243 CC=CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000070051 [0,2,0,0,0,0|2,0,0]=4 5704 B15R1.1243 CC=CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000070051 [0,2,0,0,0,0|2,0,0]=4 5705 B15R1.1243 CC=CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000070051 [0,2,0,0,0,0|2,0,0]=4 5706 B15R1.1243 CC=CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000070051 [0,2,0,0,0,0|2,0,0]=4 5707 B15R1.1243 CC=CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000070051 [0,2,0,0,0,0|2,0,0]=4 5708 B15R1.1243 CC=CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000070051 [0,2,0,0,0,0|1,0,0]=3 5709 B15R1.1243 CCCCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210211 [0,2,0,0,0,0|2,0,0]=4 5710 B15R1.1243 CCCCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210211 [0,2,0,0,0,0|2,0,0]=4 5711 B15R1.1243 CCCCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210211 [0,2,0,0,0,0|2,0,0]=4 5712 B15R1.1243 CCCCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210211 [0,2,0,0,0,0|2,0,0]=4 5713 B15R1.1243 CCCCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210211 [0,2,0,0,0,0|2,0,0]=4 5714 B15R1.1243 CCCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210211 [0,2,0,0,0,0|1,0,0]=3 5715 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)Br 11a_100020643023_100011934951 [0,2,0,0,0,0|2,0,0]=4 5716 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)Br 1626a_100020643023_100011934951 [0,2,0,0,0,0|2,0,0]=4 5717 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)Br 240690a_100020643023_100011934951 [0,2,0,0,0,0|2,0,0]=4 5718 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)Br 527a_100020643023_100011934951 [0,2,0,0,0,0|2,0,0]=4 5719 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)C 11a_100020643023_100000212341 [0,2,0,0,0,0|2,0,0]=4 5720 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)C 1626a_100020643023_100000212341 [0,2,0,0,0,0|2,0,0]=4 5721 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)C 240690a_100020643023_100000212341 [0,2,0,0,0,0|2,0,0]=4 5722 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)C 527a_100020643023_100000212341 [0,2,0,0,0,0|2,0,0]=4 5723 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)Cl 11a_100020643023_100000181799 [0,2,0,0,0,0|2,0,0]=4 5724 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)Cl 1626a_100020643023_100000181799 [0,2,0,0,0,0|2,0,0]=4 5725 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)Cl 240690a_100020643023_100000181799 [0,2,0,0,0,0|2,0,0]=4 5726 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)Cl 527a_100020643023_100000181799 [0,2,0,0,0,0|2,0,0]=4 5727 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)F 11a_100020643023_100000757635 [0,2,0,0,0,0|2,0,0]=4 5728 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)F 1626a_100020643023_100000757635 [0,2,0,0,0,0|2,0,0]=4 5729 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)F 240690a_100020643023_100000757635 [0,2,0,0,0,0|2,0,0]=4 5730 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)F 527a_100020643023_100000757635 [0,2,0,0,0,0|2,0,0]=4 5731 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)I 11a_100020643023_100012356290 [0,2,0,0,0,0|2,0,0]=4 5732 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)I 1626a_100020643023_100012356290 [0,2,0,0,0,0|2,0,0]=4 5733 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)I 240690a_100020643023_100012356290 [0,2,0,0,0,0|2,0,0]=4 5734 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)I 527a_100020643023_100012356290 [0,2,0,0,0,0|2,0,0]=4 5735 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)O 240690a_100020643023_100000687070 [0,2,0,0,0,0|1,0,0]=3 5736 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_200010239580 [0,2,0,0,0,0|1,0,0]=3 5737 B15R1.1243 CCNCC(=O)c1ccc(c(c1)OC)Br 2230a_100015525214_200010710740 [0,2,0,0,0,0|2,0,0]=4 5738 B15R1.1243 CCNCC(=O)c1ccc(c(c1)OC)F 2230a_100015525214_200012348595 [0,2,0,0,0,0|2,0,0]=4 5739 B15R1.1243 CCNN=C(C)c1ccc(c(c1)OC)O 4a_100000756455_100000186468 [0,2,0,0,0,0|2,0,0]=4 5740 B15R1.1243 CCNNC(=O)c1ccc(c(c1)OC)Br 22a_100000756455_100011934951 [0,2,0,0,0,0|2,0,0]=4 5741 B15R1.1243 CCNNC(=O)c1ccc(c(c1)OC)C 22a_100000756455_100000212341 [0,2,0,0,0,0|2,0,0]=4 5742 B15R1.1243 CCNNC(=O)c1ccc(c(c1)OC)Cl 22a_100000756455_100000181799 [0,2,0,0,0,0|2,0,0]=4 5743 B15R1.1243 CCNNC(=O)c1ccc(c(c1)OC)F 22a_100000756455_100000757635 [0,2,0,0,0,0|2,0,0]=4 5744 B15R1.1243 CCNNC(=O)c1ccc(c(c1)OC)I 22a_100000756455_100012356290 [0,2,0,0,0,0|2,0,0]=4 5745 B15R1.1243 CCNNC(=O)c1ccc(c(c1)OC)O 22a_100000756455_100000687070 [0,2,0,0,0,0|1,0,0]=3 5746 B15R1.1243 CCOCC(=O)c1ccc(c(c1)CO)O 34a_100121572206_100010262812 [0,2,0,0,0,0|2,0,0]=4 5747 B15R1.1243 CCOCC(=O)c1ccc(c(c1)OC)Br 34a_100121572206_200010710740 [0,2,0,0,0,0|1,0,0]=3 5748 B15R1.1243 CCOCC(=O)c1ccc(c(c1)OC)F 34a_100121572206_200012348595 [0,2,0,0,0,0|1,0,0]=3 5749 B15R1.1243 CCSCC(=O)c1ccc(c(c1)OC)Br 62a_200010710740_100000210202 [0,2,0,0,0,0|1,1,0]=4 5750 B15R1.1243 CCSCC(=O)c1ccc(c(c1)OC)F 62a_100000210202_200012348595 [0,2,0,0,0,0|1,1,0]=4 5751 B15R1.1243 CCSCC(=O)c1ccc(c(c1)OC)F 62a_200012348595_100000210202 [0,2,0,0,0,0|1,1,0]=4 5752 B15R1.1243 CCSCC(=O)c1ccc(c(c1)OC)O 62a_100010206313_100000210202 [0,2,0,0,0,0|0,1,0]=3 5753 B15R1.1243 CCc1cc(ccc1Br)C(=O)CCOC 1458a_100010152358_100000233755 [0,2,0,0,0,0|2,0,0]=4 5754 B15R1.1243 CCc1cc(ccc1Cl)C(=O)CCOC 1458a_100000102533_100000233755 [0,2,0,0,0,0|2,0,0]=4 5755 B15R1.1243 CCc1cc(ccc1F)C(=O)CCOC 1458a_100009883079_100000233755 [0,2,0,0,0,0|2,0,0]=4 5756 B15R1.1243 COCCC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_100000233755 [0,2,0,0,0,0|2,0,0]=4 5757 B15R1.1243 COCCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000233755 [0,2,0,0,0,0|1,0,0]=3 5758 B15R1.1243 COCCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000233755 [0,2,0,0,0,0|1,0,0]=3 5759 B15R1.1243 COCCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000233755 [0,2,0,0,0,0|1,0,0]=3 5760 B15R1.1243 COCCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000233755 [0,2,0,0,0,0|1,0,0]=3 5761 B15R1.1243 COCCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000233755 [0,2,0,0,0,0|1,0,0]=3 5762 B15R1.1243 COCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000233755 [0,2,0,0,0,0|0,0,0]=2 5763 B15R1.1243 COc1cc(ccc1Br)C(=O)CCC#N 1458a_100011934951_100011215226 [0,2,0,0,0,0|2,0,0]=4 5764 B15R1.1243 COc1cc(ccc1Br)C(=O)CCCF 1458a_100011934951_100011934791 [0,2,0,0,0,0|2,0,0]=4 5765 B15R1.1243 COc1cc(ccc1Br)C(=O)CCCO 1458a_100011934951_100011215043 [0,2,0,0,0,0|2,0,0]=4 5766 B15R1.1243 COc1cc(ccc1Br)C(=O)CCSC 1458a_100011934951_100000751147 [0,2,0,0,0,0|1,1,0]=4 5767 B15R1.1243 COc1cc(ccc1Br)C(=O)CSCF 62a_200010710740_100015361967 [0,2,0,0,0,0|1,1,0]=4 5768 B15R1.1243 COc1cc(ccc1Br)C(=O)NCC#N 1626a_100000734998_100011934951 [0,2,0,0,0,0|2,0,0]=4 5769 B15R1.1243 COc1cc(ccc1Br)C(=O)NCC#N 527a_100000734998_100011934951 [0,2,0,0,0,0|2,0,0]=4 5770 B15R1.1243 COc1cc(ccc1Br)C(=O)NCCF 11a_100000724931_100011934951 [0,2,0,0,0,0|2,0,0]=4 5771 B15R1.1243 COc1cc(ccc1Br)C(=O)NCCF 1626a_100000724931_100011934951 [0,2,0,0,0,0|2,0,0]=4 5772 B15R1.1243 COc1cc(ccc1Br)C(=O)NCCF 240690a_100000724931_100011934951 [0,2,0,0,0,0|2,0,0]=4 5773 B15R1.1243 COc1cc(ccc1Br)C(=O)NCCF 527a_100000724931_100011934951 [0,2,0,0,0,0|2,0,0]=4 5774 B15R1.1243 COc1cc(ccc1Br)C(=O)NCCO 240690a_100000210304_100011934951 [0,2,0,0,0,0|2,0,0]=4 5775 B15R1.1243 COc1cc(ccc1Br)C(=O)NCCO 527a_100000210304_100011934951 [0,2,0,0,0,0|2,0,0]=4 5776 B15R1.1243 COc1cc(ccc1C)C(=O)CCC#N 1458a_100000212341_100011215226 [0,2,0,0,0,0|2,0,0]=4 5777 B15R1.1243 COc1cc(ccc1C)C(=O)CCCF 1458a_100000212341_100011934791 [0,2,0,0,0,0|2,0,0]=4 5778 B15R1.1243 COc1cc(ccc1C)C(=O)CCCO 1458a_100000212341_100011215043 [0,2,0,0,0,0|2,0,0]=4 5779 B15R1.1243 COc1cc(ccc1C)C(=O)CCSC 1458a_100000212341_100000751147 [0,2,0,0,0,0|1,1,0]=4 5780 B15R1.1243 COc1cc(ccc1C)C(=O)NCC#N 1626a_100000734998_100000212341 [0,2,0,0,0,0|2,0,0]=4 5781 B15R1.1243 COc1cc(ccc1C)C(=O)NCC#N 527a_100000734998_100000212341 [0,2,0,0,0,0|2,0,0]=4 5782 B15R1.1243 COc1cc(ccc1C)C(=O)NCCF 11a_100000724931_100000212341 [0,2,0,0,0,0|2,0,0]=4 5783 B15R1.1243 COc1cc(ccc1C)C(=O)NCCF 1626a_100000724931_100000212341 [0,2,0,0,0,0|2,0,0]=4 5784 B15R1.1243 COc1cc(ccc1C)C(=O)NCCF 240690a_100000724931_100000212341 [0,2,0,0,0,0|2,0,0]=4 5785 B15R1.1243 COc1cc(ccc1C)C(=O)NCCF 527a_100000724931_100000212341 [0,2,0,0,0,0|2,0,0]=4 5786 B15R1.1243 COc1cc(ccc1C)C(=O)NCCO 240690a_100000210304_100000212341 [0,2,0,0,0,0|2,0,0]=4 5787 B15R1.1243 COc1cc(ccc1C)C(=O)NCCO 527a_100000210304_100000212341 [0,2,0,0,0,0|2,0,0]=4 5788 B15R1.1243 COc1cc(ccc1Cl)C(=O)CCC#N 1458a_100000181799_100011215226 [0,2,0,0,0,0|2,0,0]=4 5789 B15R1.1243 COc1cc(ccc1Cl)C(=O)CCCF 1458a_100000181799_100011934791 [0,2,0,0,0,0|2,0,0]=4 5790 B15R1.1243 COc1cc(ccc1Cl)C(=O)CCCO 1458a_100000181799_100011215043 [0,2,0,0,0,0|2,0,0]=4 5791 B15R1.1243 COc1cc(ccc1Cl)C(=O)CCSC 1458a_100000181799_100000751147 [0,2,0,0,0,0|1,1,0]=4 5792 B15R1.1243 COc1cc(ccc1Cl)C(=O)NCC#N 1626a_100000734998_100000181799 [0,2,0,0,0,0|2,0,0]=4 5793 B15R1.1243 COc1cc(ccc1Cl)C(=O)NCC#N 527a_100000734998_100000181799 [0,2,0,0,0,0|2,0,0]=4 5794 B15R1.1243 COc1cc(ccc1Cl)C(=O)NCCF 11a_100000724931_100000181799 [0,2,0,0,0,0|2,0,0]=4 5795 B15R1.1243 COc1cc(ccc1Cl)C(=O)NCCF 1626a_100000724931_100000181799 [0,2,0,0,0,0|2,0,0]=4 5796 B15R1.1243 COc1cc(ccc1Cl)C(=O)NCCF 240690a_100000724931_100000181799 [0,2,0,0,0,0|2,0,0]=4 5797 B15R1.1243 COc1cc(ccc1Cl)C(=O)NCCF 527a_100000724931_100000181799 [0,2,0,0,0,0|2,0,0]=4 5798 B15R1.1243 COc1cc(ccc1Cl)C(=O)NCCO 240690a_100000210304_100000181799 [0,2,0,0,0,0|2,0,0]=4 5799 B15R1.1243 COc1cc(ccc1Cl)C(=O)NCCO 527a_100000210304_100000181799 [0,2,0,0,0,0|2,0,0]=4 5800 B15R1.1243 COc1cc(ccc1F)C(=O)CCC#N 1458a_100000757635_100011215226 [0,2,0,0,0,0|2,0,0]=4 5801 B15R1.1243 COc1cc(ccc1F)C(=O)CCCF 1458a_100000757635_100011934791 [0,2,0,0,0,0|2,0,0]=4 5802 B15R1.1243 COc1cc(ccc1F)C(=O)CCCO 1458a_100000757635_100011215043 [0,2,0,0,0,0|2,0,0]=4 5803 B15R1.1243 COc1cc(ccc1F)C(=O)CCSC 1458a_100000757635_100000751147 [0,2,0,0,0,0|1,1,0]=4 5804 B15R1.1243 COc1cc(ccc1F)C(=O)CSCF 62a_100015361967_200012348595 [0,2,0,0,0,0|1,1,0]=4 5805 B15R1.1243 COc1cc(ccc1F)C(=O)CSCF 62a_200012348595_100015361967 [0,2,0,0,0,0|1,1,0]=4 5806 B15R1.1243 COc1cc(ccc1F)C(=O)NCC#N 1626a_100000734998_100000757635 [0,2,0,0,0,0|2,0,0]=4 5807 B15R1.1243 COc1cc(ccc1F)C(=O)NCC#N 527a_100000734998_100000757635 [0,2,0,0,0,0|2,0,0]=4 5808 B15R1.1243 COc1cc(ccc1F)C(=O)NCCF 11a_100000724931_100000757635 [0,2,0,0,0,0|2,0,0]=4 5809 B15R1.1243 COc1cc(ccc1F)C(=O)NCCF 1626a_100000724931_100000757635 [0,2,0,0,0,0|2,0,0]=4 5810 B15R1.1243 COc1cc(ccc1F)C(=O)NCCF 240690a_100000724931_100000757635 [0,2,0,0,0,0|2,0,0]=4 5811 B15R1.1243 COc1cc(ccc1F)C(=O)NCCF 527a_100000724931_100000757635 [0,2,0,0,0,0|2,0,0]=4 5812 B15R1.1243 COc1cc(ccc1F)C(=O)NCCO 240690a_100000210304_100000757635 [0,2,0,0,0,0|2,0,0]=4 5813 B15R1.1243 COc1cc(ccc1F)C(=O)NCCO 527a_100000210304_100000757635 [0,2,0,0,0,0|2,0,0]=4 5814 B15R1.1243 COc1cc(ccc1I)C(=O)CCC#N 1458a_100012356290_100011215226 [0,2,0,0,0,0|2,0,0]=4 5815 B15R1.1243 COc1cc(ccc1I)C(=O)CCCF 1458a_100012356290_100011934791 [0,2,0,0,0,0|2,0,0]=4 5816 B15R1.1243 COc1cc(ccc1I)C(=O)CCCO 1458a_100012356290_100011215043 [0,2,0,0,0,0|2,0,0]=4 5817 B15R1.1243 COc1cc(ccc1I)C(=O)CCSC 1458a_100012356290_100000751147 [0,2,0,0,0,0|1,1,0]=4 5818 B15R1.1243 COc1cc(ccc1I)C(=O)NCC#N 1626a_100000734998_100012356290 [0,2,0,0,0,0|2,0,0]=4 5819 B15R1.1243 COc1cc(ccc1I)C(=O)NCC#N 527a_100000734998_100012356290 [0,2,0,0,0,0|2,0,0]=4 5820 B15R1.1243 COc1cc(ccc1I)C(=O)NCCF 11a_100000724931_100012356290 [0,2,0,0,0,0|2,0,0]=4 5821 B15R1.1243 COc1cc(ccc1I)C(=O)NCCF 1626a_100000724931_100012356290 [0,2,0,0,0,0|2,0,0]=4 5822 B15R1.1243 COc1cc(ccc1I)C(=O)NCCF 240690a_100000724931_100012356290 [0,2,0,0,0,0|2,0,0]=4 5823 B15R1.1243 COc1cc(ccc1I)C(=O)NCCF 527a_100000724931_100012356290 [0,2,0,0,0,0|2,0,0]=4 5824 B15R1.1243 COc1cc(ccc1I)C(=O)NCCO 240690a_100000210304_100012356290 [0,2,0,0,0,0|2,0,0]=4 5825 B15R1.1243 COc1cc(ccc1I)C(=O)NCCO 527a_100000210304_100012356290 [0,2,0,0,0,0|2,0,0]=4 5826 B15R1.1243 COc1cc(ccc1O)C(=O)CCC#N 1458a_100000687070_100011215226 [0,2,0,0,0,0|1,0,0]=3 5827 B15R1.1243 COc1cc(ccc1O)C(=O)CCCF 1458a_100000687070_100011934791 [0,2,0,0,0,0|1,0,0]=3 5828 B15R1.1243 COc1cc(ccc1O)C(=O)CCCO 1458a_100000687070_100011215043 [0,2,0,0,0,0|1,0,0]=3 5829 B15R1.1243 COc1cc(ccc1O)C(=O)CCSC 1458a_100000687070_100000751147 [0,2,0,0,0,0|0,1,0]=3 5830 B15R1.1243 COc1cc(ccc1O)C(=O)CSCF 62a_100010206313_100015361967 [0,2,0,0,0,0|0,1,0]=3 5831 B15R1.1243 COc1cc(ccc1O)C(=O)NCCF 240690a_100000724931_100000687070 [0,2,0,0,0,0|1,0,0]=3 5832 B15R1.1243 COc1cc(ccc1O)C(=O)NCCO 240690a_100000210304_100000687070 [0,2,0,0,0,0|1,0,0]=3 5833 B15R1.4037 C=C(C)CC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000748629 [0,2,0,0,0,0|2,0,0]=4 5834 B15R1.4037 C=C(C)CC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000748629 [0,2,0,0,0,0|2,0,0]=4 5835 B15R1.4037 C=C(C)CC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000748629 [0,2,0,0,0,0|2,0,0]=4 5836 B15R1.4037 C=C(C)CC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000748629 [0,2,0,0,0,0|2,0,0]=4 5837 B15R1.4037 C=C(C)CC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000748629 [0,2,0,0,0,0|2,0,0]=4 5838 B15R1.4037 C=C(C)CC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000748629 [0,2,0,0,0,0|1,0,0]=3 5839 B15R1.4037 C=C(F)CC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100009893438 [0,2,0,0,0,0|1,0,1]=4 5840 B15R1.4037 COc1cc(ccc1Br)C(=O)CC(=O)C 1458a_100000070787_200010710740 [0,2,0,0,0,0|2,0,0]=4 5841 B15R1.4037 COc1cc(ccc1Br)C(=O)CC(C)C 1458a_100011934951_100000210624 [0,2,0,0,0,0|2,0,0]=4 5842 B15R1.4037 COc1cc(ccc1Br)C(=O)CC(C)O 1458a_100011934951_100011218427 [0,2,0,0,0,0|2,0,0]=4 5843 B15R1.4037 COc1cc(ccc1Br)C(=O)CC(F)F 1458a_100011934951_100011934356 [0,2,0,0,0,0|2,0,0]=4 5844 B15R1.4037 COc1cc(ccc1Br)C(=O)CN(C)C 2230a_100102631434_200010710740 [0,2,0,0,0,0|2,0,0]=4 5845 B15R1.4037 COc1cc(ccc1Br)C(=O)CN(C)C 269982a_100102631434_200010710740 [0,2,0,0,0,0|2,0,0]=4 5846 B15R1.4037 COc1cc(ccc1Br)C(=O)NC(C)C 11a_100138425928_100011934951 [0,2,0,0,0,0|2,0,0]=4 5847 B15R1.4037 COc1cc(ccc1Br)C(=O)NC(C)C 1626a_100138425928_100011934951 [0,2,0,0,0,0|2,0,0]=4 5848 B15R1.4037 COc1cc(ccc1Br)C(=O)NC(C)C 240690a_100138425928_100011934951 [0,2,0,0,0,0|2,0,0]=4 5849 B15R1.4037 COc1cc(ccc1Br)C(=O)NC(C)C 527a_100138425928_100011934951 [0,2,0,0,0,0|2,0,0]=4 5850 B15R1.4037 COc1cc(ccc1C)C(=O)CC(C)C 1458a_100000212341_100000210624 [0,2,0,0,0,0|2,0,0]=4 5851 B15R1.4037 COc1cc(ccc1C)C(=O)CC(C)O 1458a_100000212341_100011218427 [0,2,0,0,0,0|2,0,0]=4 5852 B15R1.4037 COc1cc(ccc1C)C(=O)CC(F)F 1458a_100000212341_100011934356 [0,2,0,0,0,0|2,0,0]=4 5853 B15R1.4037 COc1cc(ccc1C)C(=O)NC(C)C 11a_100138425928_100000212341 [0,2,0,0,0,0|2,0,0]=4 5854 B15R1.4037 COc1cc(ccc1C)C(=O)NC(C)C 1626a_100138425928_100000212341 [0,2,0,0,0,0|2,0,0]=4 5855 B15R1.4037 COc1cc(ccc1C)C(=O)NC(C)C 240690a_100138425928_100000212341 [0,2,0,0,0,0|2,0,0]=4 5856 B15R1.4037 COc1cc(ccc1C)C(=O)NC(C)C 527a_100138425928_100000212341 [0,2,0,0,0,0|2,0,0]=4 5857 B15R1.4037 COc1cc(ccc1Cl)C(=O)CC(C)C 1458a_100000181799_100000210624 [0,2,0,0,0,0|2,0,0]=4 5858 B15R1.4037 COc1cc(ccc1Cl)C(=O)CC(C)O 1458a_100000181799_100011218427 [0,2,0,0,0,0|2,0,0]=4 5859 B15R1.4037 COc1cc(ccc1Cl)C(=O)CC(F)F 1458a_100000181799_100011934356 [0,2,0,0,0,0|2,0,0]=4 5860 B15R1.4037 COc1cc(ccc1Cl)C(=O)NC(C)C 11a_100138425928_100000181799 [0,2,0,0,0,0|2,0,0]=4 5861 B15R1.4037 COc1cc(ccc1Cl)C(=O)NC(C)C 1626a_100138425928_100000181799 [0,2,0,0,0,0|2,0,0]=4 5862 B15R1.4037 COc1cc(ccc1Cl)C(=O)NC(C)C 240690a_100138425928_100000181799 [0,2,0,0,0,0|2,0,0]=4 5863 B15R1.4037 COc1cc(ccc1Cl)C(=O)NC(C)C 527a_100138425928_100000181799 [0,2,0,0,0,0|2,0,0]=4 5864 B15R1.4037 COc1cc(ccc1F)C(=O)CC(=O)C 1458a_100000070787_200012348595 [0,2,0,0,0,0|2,0,0]=4 5865 B15R1.4037 COc1cc(ccc1F)C(=O)CC(C)C 1458a_100000757635_100000210624 [0,2,0,0,0,0|2,0,0]=4 5866 B15R1.4037 COc1cc(ccc1F)C(=O)CC(C)O 1458a_100000757635_100011218427 [0,2,0,0,0,0|2,0,0]=4 5867 B15R1.4037 COc1cc(ccc1F)C(=O)CC(F)F 1458a_100000757635_100011934356 [0,2,0,0,0,0|2,0,0]=4 5868 B15R1.4037 COc1cc(ccc1F)C(=O)CN(C)C 2230a_100102631434_200012348595 [0,2,0,0,0,0|2,0,0]=4 5869 B15R1.4037 COc1cc(ccc1F)C(=O)CN(C)C 269982a_100102631434_200012348595 [0,2,0,0,0,0|2,0,0]=4 5870 B15R1.4037 COc1cc(ccc1F)C(=O)NC(C)C 11a_100138425928_100000757635 [0,2,0,0,0,0|2,0,0]=4 5871 B15R1.4037 COc1cc(ccc1F)C(=O)NC(C)C 1626a_100138425928_100000757635 [0,2,0,0,0,0|2,0,0]=4 5872 B15R1.4037 COc1cc(ccc1F)C(=O)NC(C)C 240690a_100138425928_100000757635 [0,2,0,0,0,0|2,0,0]=4 5873 B15R1.4037 COc1cc(ccc1F)C(=O)NC(C)C 527a_100138425928_100000757635 [0,2,0,0,0,0|2,0,0]=4 5874 B15R1.4037 COc1cc(ccc1I)C(=O)CC(C)C 1458a_100012356290_100000210624 [0,2,0,0,0,0|2,0,0]=4 5875 B15R1.4037 COc1cc(ccc1I)C(=O)CC(C)O 1458a_100012356290_100011218427 [0,2,0,0,0,0|2,0,0]=4 5876 B15R1.4037 COc1cc(ccc1I)C(=O)CC(F)F 1458a_100012356290_100011934356 [0,2,0,0,0,0|2,0,0]=4 5877 B15R1.4037 COc1cc(ccc1I)C(=O)NC(C)C 11a_100138425928_100012356290 [0,2,0,0,0,0|2,0,0]=4 5878 B15R1.4037 COc1cc(ccc1I)C(=O)NC(C)C 1626a_100138425928_100012356290 [0,2,0,0,0,0|2,0,0]=4 5879 B15R1.4037 COc1cc(ccc1I)C(=O)NC(C)C 240690a_100138425928_100012356290 [0,2,0,0,0,0|2,0,0]=4 5880 B15R1.4037 COc1cc(ccc1I)C(=O)NC(C)C 527a_100138425928_100012356290 [0,2,0,0,0,0|2,0,0]=4 5881 B15R1.4037 COc1cc(ccc1O)C(=O)CC(=O)C 1458a_100000070787_100010206313 [0,2,0,0,0,0|1,0,0]=3 5882 B15R1.4037 COc1cc(ccc1O)C(=O)CC(=O)N 1458a_100000687070_100000187820 [0,2,0,0,0,0|1,0,1]=4 5883 B15R1.4037 COc1cc(ccc1O)C(=O)CC(=O)[O-] 1458a_100000687070_100020667443 [0,2,0,0,0,0|1,0,1]=4 5884 B15R1.4037 COc1cc(ccc1O)C(=O)CC(C)C 1458a_100000687070_100000210624 [0,2,0,0,0,0|1,0,0]=3 5885 B15R1.4037 COc1cc(ccc1O)C(=O)CC(C)O 1458a_100000687070_100011218427 [0,2,0,0,0,0|1,0,0]=3 5886 B15R1.4037 COc1cc(ccc1O)C(=O)CC(F)F 1458a_100000687070_100011934356 [0,2,0,0,0,0|1,0,0]=3 5887 B15R1.4037 COc1cc(ccc1O)C(=O)CN(C)C 269982a_100102631434_100010206313 [0,2,0,0,0,0|1,0,0]=3 5888 B15R1.4037 COc1cc(ccc1O)C(=O)C[N+](=O)[O-] 1458a_100000687070_100000761209 [0,2,0,0,0,0|2,0,0]=4 5889 B15R1.4037 COc1cc(ccc1O)C(=O)NC(C)C 240690a_100138425928_100000687070 [0,2,0,0,0,0|1,0,0]=3 5890 B15R1.4037 COc1cc(ccc1O)C(=O)NC(C)C 271570a_203496583355_200010239583 [0,2,0,0,0,0|1,0,0]=3 5891 B15R1.10560 CCCC(=O)c1ccc(c(c1F)OC)Br 1458a_100009816242_100000210303 [0,2,0,0,0,0|2,0,0]=4 5892 B15R1.10560 CCCC(=O)c1ccc(c(c1F)OC)Cl 1458a_100010116254_100000210303 [0,2,0,0,0,0|2,0,0]=4 5893 B15R1.10560 CCCC(=O)c1ccc(c(c1F)OC)F 1458a_100000061937_100000210303 [0,2,0,0,0,0|2,0,0]=4 5894 B15R1.10560 CCNC(=O)c1ccc(c(c1F)OC)Br 11a_100015525214_100009816242 [0,2,0,0,0,0|2,0,0]=4 5895 B15R1.10560 CCNC(=O)c1ccc(c(c1F)OC)Br 240690a_100015525214_100009816242 [0,2,0,0,0,0|2,0,0]=4 5896 B15R1.10560 CCNC(=O)c1ccc(c(c1F)OC)Br 527a_100015525214_100009816242 [0,2,0,0,0,0|2,0,0]=4 5897 B15R1.10560 CCNC(=O)c1ccc(c(c1F)OC)Cl 11a_100015525214_100010116254 [0,2,0,0,0,0|2,0,0]=4 5898 B15R1.10560 CCNC(=O)c1ccc(c(c1F)OC)Cl 240690a_100015525214_100010116254 [0,2,0,0,0,0|2,0,0]=4 5899 B15R1.10560 CCNC(=O)c1ccc(c(c1F)OC)Cl 527a_100015525214_100010116254 [0,2,0,0,0,0|2,0,0]=4 5900 B15R1.10560 CCNC(=O)c1ccc(c(c1F)OC)F 11a_100015525214_100000061937 [0,2,0,0,0,0|2,0,0]=4 5901 B15R1.10560 CCNC(=O)c1ccc(c(c1F)OC)F 240690a_100015525214_100000061937 [0,2,0,0,0,0|2,0,0]=4 5902 B15R1.10560 CCNC(=O)c1ccc(c(c1F)OC)F 527a_100015525214_100000061937 [0,2,0,0,0,0|2,0,0]=4 5903 B15R1.10560 CCOC(=O)c1ccc(c(c1C)SC)F 62a_200000210301_200000729658 [0,2,0,0,0,0|1,1,0]=4 5904 B15R1.10560 CCOC(=O)c1ccc(c(c1C)SC)F 62a_200000729658_200000210301 [0,2,0,0,0,0|1,1,0]=4 5905 B15R1.10560 CCOC(=O)c1ccc(c(c1C)S[13CH3])F 62a_200000729658_200025704644 [0,2,0,0,0,0|1,1,0]=4 5906 B15R1.10560 CCOC(=O)c1ccc(c(c1C)S[13CH3])F 62a_200025704644_200000729658 [0,2,0,0,0,0|1,1,0]=4 5907 B15R1.10560 CNNC(=O)c1ccc(c(c1F)OC)Br 22a_100016993582_100009816242 [0,2,0,0,0,0|2,0,0]=4 5908 B15R1.10560 CNNC(=O)c1ccc(c(c1F)OC)Cl 22a_100016993582_100010116254 [0,2,0,0,0,0|2,0,0]=4 5909 B15R1.10560 CNNC(=O)c1ccc(c(c1F)OC)F 22a_100016993582_100000061937 [0,2,0,0,0,0|2,0,0]=4 5910 B15R1.10560 COc1c(ccc(c1F)C(=O)CCF)Br 1458a_100009816242_100011217306 [0,2,0,0,0,0|2,0,0]=4 5911 B15R1.10560 COc1c(ccc(c1F)C(=O)CCF)Cl 1458a_100010116254_100011217306 [0,2,0,0,0,0|2,0,0]=4 5912 B15R1.10560 COc1c(ccc(c1F)C(=O)CCF)F 1458a_100000061937_100011217306 [0,2,0,0,0,0|2,0,0]=4 5913 B15R1.10560 COc1c(ccc(c1F)C(=O)CCO)Br 1458a_100009816242_100000211926 [0,2,0,0,0,0|2,0,0]=4 5914 B15R1.10560 COc1c(ccc(c1F)C(=O)CCO)Cl 1458a_100010116254_100000211926 [0,2,0,0,0,0|2,0,0]=4 5915 B15R1.10560 COc1c(ccc(c1F)C(=O)CCO)F 1458a_100000061937_100000211926 [0,2,0,0,0,0|2,0,0]=4 5916 B15R1.10612 CCCC(=O)c1cc(c(cc1Br)C)OC 1458a_100010289115_100000210303 [0,2,0,0,0,0|2,0,0]=4 5917 B15R1.10612 CCCC(=O)c1cc(c(cc1Br)F)OC 1458a_100010174800_100000210303 [0,2,0,0,0,0|2,0,0]=4 5918 B15R1.10612 CCNC(=O)c1cc(c(cc1Br)C)OC 11a_100015525214_100010289115 [0,2,0,0,0,0|2,0,0]=4 5919 B15R1.10612 CCNC(=O)c1cc(c(cc1Br)C)OC 240690a_100015525214_100010289115 [0,2,0,0,0,0|2,0,0]=4 5920 B15R1.10612 CCNC(=O)c1cc(c(cc1Br)C)OC 527a_100015525214_100010289115 [0,2,0,0,0,0|2,0,0]=4 5921 B15R1.10612 CCNC(=O)c1cc(c(cc1Br)F)OC 11a_100015525214_100010174800 [0,2,0,0,0,0|2,0,0]=4 5922 B15R1.10612 CCNC(=O)c1cc(c(cc1Br)F)OC 240690a_100015525214_100010174800 [0,2,0,0,0,0|2,0,0]=4 5923 B15R1.10612 CCNC(=O)c1cc(c(cc1Br)F)OC 527a_100015525214_100010174800 [0,2,0,0,0,0|2,0,0]=4 5924 B15R1.10612 CCOC(=O)c1cc(c(cc1C)C)SC 62a_100012360142_200000210301 [0,2,0,0,0,0|1,1,0]=4 5925 B15R1.10612 CCOC(=O)c1cc(c(cc1C)C)SC 62a_200000210301_100012360142 [0,2,0,0,0,0|1,1,0]=4 5926 B15R1.10612 CCOC(=O)c1cc(c(cc1C)C)S[13CH3] 62a_100012360142_200025704644 [0,2,0,0,0,0|1,1,0]=4 5927 B15R1.10612 CCOC(=O)c1cc(c(cc1C)C)S[13CH3] 62a_200025704644_100012360142 [0,2,0,0,0,0|1,1,0]=4 5928 B15R1.10612 CCOC(=O)c1cc(c(cc1F)F)SC 62a_100012920295_200000210301 [0,2,0,0,0,0|1,1,0]=4 5929 B15R1.10612 CCOC(=O)c1cc(c(cc1F)F)SC 62a_200000210301_100012920295 [0,2,0,0,0,0|1,1,0]=4 5930 B15R1.10612 CCOC(=O)c1cc(c(cc1F)F)S[13CH3] 62a_100012920295_200025704644 [0,2,0,0,0,0|1,1,0]=4 5931 B15R1.10612 CCOC(=O)c1cc(c(cc1F)F)S[13CH3] 62a_200025704644_100012920295 [0,2,0,0,0,0|1,1,0]=4 5932 B15R1.10612 CNNC(=O)c1cc(c(cc1Br)C)OC 22a_100016993582_100010289115 [0,2,0,0,0,0|2,0,0]=4 5933 B15R1.10612 CNNC(=O)c1cc(c(cc1Br)F)OC 22a_100016993582_100010174800 [0,2,0,0,0,0|2,0,0]=4 5934 B15R1.10612 COc1cc(c(cc1C)Br)C(=O)CCF 1458a_100010289115_100011217306 [0,2,0,0,0,0|2,0,0]=4 5935 B15R1.10612 COc1cc(c(cc1C)Br)C(=O)CCO 1458a_100010289115_100000211926 [0,2,0,0,0,0|2,0,0]=4 5936 B15R1.10612 COc1cc(c(cc1F)Br)C(=O)CCF 1458a_100010174800_100011217306 [0,2,0,0,0,0|2,0,0]=4 5937 B15R1.10612 COc1cc(c(cc1F)Br)C(=O)CCO 1458a_100010174800_100000211926 [0,2,0,0,0,0|2,0,0]=4 5938 B15R1.10612 COc1cc(c(cc1O)F)C(=O)CSC 62a_100010235139_200000210301 [0,2,0,0,0,0|0,1,0]=3 5939 B15R1.10612 COc1cc(c(cc1O)F)C(=O)CS[13CH3] 62a_100010235139_200025704644 [0,2,0,0,0,0|0,1,0]=3 5940 B15R1.993 CCC(=O)c1ccc(c(c1)C(C)(C)C)O 1458a_100009850564_100000210202 [0,2,0,0,0,0|2,0,0]=4 5941 B15R1.993 CNC(=O)c1ccc(c(c1)C(C)(C)C)O 1626a_100102657272_100009850564 [0,2,0,0,0,0|2,0,0]=4 5942 B15R1.993 CNC(=O)c1ccc(c(c1)C(C)(C)C)O 240690a_100102657272_100009850564 [0,2,0,0,0,0|2,0,0]=4 5943 B15R1.993 COC(=O)c1ccc(c(c1)C(F)(F)F)O 271570a_203496583355_100012359174 [0,2,0,0,0,0|2,0,0]=4 5944 B15R1.993 COC(=O)c1ccc(c(c1)S(=O)(=O)N)O 271570a_203496583355_100000170694 [0,2,0,0,0,0|1,1,0]=4 5945 B15R1.3760 C=C(C)c1cc(ccc1C#N)C(=O)OC 271570a_100000694244_100009861381 [0,2,0,0,0,0|2,0,0]=4 5946 B15R1.3760 C=C(C)c1cc(ccc1C=O)C(=O)OC 271570a_100000694244_100012179231 [0,2,0,0,0,0|1,0,1]=4 5947 B15R1.3760 C=C(C)c1cc(ccc1CC)C(=O)OC 271570a_100000694244_200012360130 [0,2,0,0,0,0|2,0,0]=4 5948 B15R1.3760 C=C(C)c1cc(ccc1CO)C(=O)OC 271570a_100000694244_100012355398 [0,2,0,0,0,0|1,0,0]=3 5949 B15R1.3760 C=C(C)c1cc(ccc1OC)C(=O)OC 271570a_100000694244_100000189012 [0,2,0,0,0,0|1,0,0]=3 5950 B15R1.3760 C=C(C)c1cc(cnc1OC)C(=O)OC 271570a_100000694244_100010189640 [0,2,0,0,0,0|2,0,0]=4 5951 B15R1.3760 C=C(C)c1cc(ncc1OC)C(=O)OC 271570a_100000694244_200010136175 [0,2,0,0,0,0|2,0,0]=4 5952 B15R1.3760 C=C(C)c1nc(ccc1OC)C(=O)OC 271570a_100000694244_100010205418 [0,2,0,0,0,0|2,0,0]=4 5953 B15R1.3760 C=Cc1ccc(cc1C(=O)C)C(=O)OC 271570a_100011290941_200016005208 [0,2,0,0,0,0|2,0,0]=4 5954 B15R1.3760 C=Cc1ccc(cc1C(C)C)C(=O)OC 271570a_100011290941_200025703530 [0,2,0,0,0,0|2,0,0]=4 5955 B15R1.3760 COC(=O)c1ccc(c(c1)C(=O)C)OC 7a_100000030976_200000210301 [0,2,0,0,0,0|1,0,0]=3 5956 B15R1.3760 COC(=O)c1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000030976_200025704644 [0,2,0,0,0,0|1,0,0]=3 5957 B15R1.3760 COC(=O)c1ccc(c(c1)C(=O)C)SC 62a_200016005208_200000210301 [0,2,0,0,0,0|1,1,0]=4 5958 B15R1.3760 COC(=O)c1ccc(c(c1)C(=O)C)S[13CH3] 62a_200016005208_200025704644 [0,2,0,0,0,0|1,1,0]=4 5959 B15R1.3760 COC(=O)c1ccc(c(c1)C(C)C)SC 62a_200000210301_200025703530 [0,2,0,0,0,0|1,1,0]=4 5960 B15R1.3760 COC(=O)c1ccc(c(c1)C(C)C)SC 62a_200025703530_200000210301 [0,2,0,0,0,0|1,1,0]=4 5961 B15R1.3760 COC(=O)c1ccc(c(c1)C(C)C)S[13CH3] 62a_200025703530_200025704644 [0,2,0,0,0,0|1,1,0]=4 5962 B15R1.3760 COC(=O)c1ccc(c(c1)C(C)C)S[13CH3] 62a_200025704644_200025703530 [0,2,0,0,0,0|1,1,0]=4 5963 B15R1.3760 COC(=O)c1ccc(c(c1)[N+](=O)[O-])OC 34a_100000188772_200000210301 [0,2,0,0,0,0|2,0,0]=4 5964 B15R1.3760 COC(=O)c1ccc(c(c1)[N+](=O)[O-])OC 7a_100000188772_200000210301 [0,2,0,0,0,0|2,0,0]=4 5965 B15R1.3760 COC(=O)c1ccc(c(c1)[N+](=O)[O-])O[13CH3] 34a_100000188772_200025704644 [0,2,0,0,0,0|2,0,0]=4 5966 B15R1.3760 COC(=O)c1ccc(c(c1)[N+](=O)[O-])O[13CH3] 7a_100000188772_200025704644 [0,2,0,0,0,0|2,0,0]=4 5967 B15R1.11684 C=C(C)c1c(ccc(c1C)C(=O)OC)C 271570a_100000694244_200010734123 [0,2,0,0,0,0|2,0,0]=4 5968 B15R1.11684 C=C(C)c1c(ccc(c1C)C(=O)OC)N 271570a_100000694244_100010764323 [0,2,0,0,0,0|2,0,0]=4 5969 B15R1.11684 C=C(C)c1c(ccc(c1Cl)C(=O)OC)N 271570a_100000694244_200016031531 [0,2,0,0,0,0|2,0,0]=4 5970 B15R1.11684 C=C(C)c1c(ccc(c1F)C(=O)OC)F 271570a_100000694244_100000697099 [0,2,0,0,0,0|2,0,0]=4 5971 B15R1.11738 C=C(C)c1cc(c(cc1C)C)C(=O)OC 271570a_100000694244_200012360129 [0,2,0,0,0,0|2,0,0]=4 5972 B15R1.11738 C=C(C)c1cc(c(cc1C)Cl)C(=O)OC 271570a_100000694244_100014124666 [0,2,0,0,0,0|2,0,0]=4 5973 B15R1.11738 C=C(C)c1cc(c(cc1C)F)C(=O)OC 271570a_100000694244_100012920548 [0,2,0,0,0,0|2,0,0]=4 5974 B15R1.11738 C=C(C)c1cc(c(cc1C)N)C(=O)OC 271570a_100000694244_100010892302 [0,2,0,0,0,0|2,0,0]=4 5975 B15R1.11738 C=C(C)c1cc(c(cc1C)O)C(=O)OC 271570a_100000694244_100010233952 [0,2,0,0,0,0|2,0,0]=4 5976 B15R1.11738 C=C(C)c1cc(c(cc1Cl)F)C(=O)OC 271570a_100000694244_100012920370 [0,2,0,0,0,0|2,0,0]=4 5977 B15R1.11738 C=C(C)c1cc(c(cc1Cl)N)C(=O)OC 271570a_100000694244_100010253894 [0,2,0,0,0,0|2,0,0]=4 5978 B15R1.11738 C=C(C)c1cc(c(cc1F)C)C(=O)OC 271570a_100000694244_100013328185 [0,2,0,0,0,0|2,0,0]=4 5979 B15R1.11738 C=C(C)c1cc(c(cc1F)F)C(=O)OC 271570a_100000694244_100000718433 [0,2,0,0,0,0|2,0,0]=4 5980 B15R1.11738 C=C(C)c1cc(c(cc1F)N)C(=O)OC 271570a_100000694244_100000699149 [0,2,0,0,0,0|2,0,0]=4 5981 B15R1.11738 C=C(C)c1cc(c(cc1F)O)C(=O)OC 271570a_100000694244_100010371811 [0,2,0,0,0,0|2,0,0]=4 5982 B15R1.11738 C=C(C)c1cc(c(cc1N)C)C(=O)OC 271570a_100000694244_100010236254 [0,2,0,0,0,0|2,0,0]=4 5983 B15R1.11738 C=C(C)c1cc(c(cc1N)Cl)C(=O)OC 271570a_100000694244_100010204190 [0,2,0,0,0,0|2,0,0]=4 5984 B15R1.11738 C=C(C)c1cc(c(cc1N)F)C(=O)OC 271570a_100000694244_100010764354 [0,2,0,0,0,0|2,0,0]=4 5985 B15R1.11738 C=C(C)c1cc(c(cc1N)O)C(=O)OC 271570a_100000694244_100010075205 [0,2,0,0,0,0|2,0,0]=4 5986 B15R1.11738 C=C(C)c1cc(c(nc1O)C)C(=O)OC 271570a_100000694244_100000729808 [0,2,0,0,0,0|2,0,0]=4 5987 B15R1.11738 CCC(=O)c1cc(c(cc1O)O)C(C)C 1458a_100009886130_100000210202 [0,2,0,0,0,0|2,0,0]=4 5988 B15R1.11738 CNC(=O)c1cc(c(cc1O)O)C(C)C 240690a_100102657272_100009886130 [0,2,0,0,0,0|2,0,0]=4 5989 B15R1.1827 C=Cc1cc(c(cc1OC)C(=O)OC)N 271570a_100011290941_100014686525 [0,2,0,0,0,0|1,0,0]=3 5990 B15R1.1827 C=Cc1cc(c(cc1OC)C)C(=O)OC 271570a_100011290941_100010236281 [0,2,0,0,0,0|1,0,1]=4 5991 B15R1.1827 C=Cc1cc(c(cc1OC)F)C(=O)OC 271570a_100011290941_100015648668 [0,2,0,0,0,0|1,0,1]=4 5992 B15R1.1827 C=Cc1cc(c(cc1OC)N)C(=O)OC 271570a_100011290941_100000730826 [0,2,0,0,0,0|1,0,1]=4 5993 B15R1.1827 C=Cc1cc(c(cc1OC)O)C(=O)OC 271570a_100011290941_200010007936 [0,2,0,0,0,0|1,0,1]=4 5994 B15R1.1827 CCC(=O)c1cc(c(cc1Br)OC)OC 1458a_100011217046_100000210202 [0,2,0,0,0,0|1,0,0]=3 5995 B15R1.1827 CCC(=O)c1cc(c(cc1C)OC)OC 1458a_100000765401_100000210202 [0,2,0,0,0,0|1,0,0]=3 5996 B15R1.1827 CCC(=O)c1cc(c(cc1Cl)OC)OC 1458a_100000692841_100000210202 [0,2,0,0,0,0|1,0,0]=3 5997 B15R1.1827 CCC(=O)c1cc(c(cc1F)OC)OC 1458a_100000687845_100000210202 [0,2,0,0,0,0|1,0,0]=3 5998 B15R1.1827 CCC(=O)c1cc(c(cc1I)OC)OC 1458a_100000749224_100000210202 [0,2,0,0,0,0|1,0,0]=3 5999 B15R1.1827 CCC(=O)c1cc(c(cc1O)OC)OC 1458a_100012177203_100000210202 [0,2,0,0,0,0|1,0,0]=3 6000 B15R1.1827 CNC(=O)c1cc(c(cc1Br)OC)OC 11a_106832991635_100011217046 [0,2,0,0,0,0|1,0,0]=3 6001 B15R1.1827 CNC(=O)c1cc(c(cc1Br)OC)OC 1626a_100102657272_100011217046 [0,2,0,0,0,0|1,0,0]=3 6002 B15R1.1827 CNC(=O)c1cc(c(cc1Br)OC)OC 240690a_100102657272_100011217046 [0,2,0,0,0,0|1,0,0]=3 6003 B15R1.1827 CNC(=O)c1cc(c(cc1Br)OC)OC 527a_100102657272_100011217046 [0,2,0,0,0,0|1,0,0]=3 6004 B15R1.1827 CNC(=O)c1cc(c(cc1C)OC)OC 11a_106832991635_100000765401 [0,2,0,0,0,0|1,0,0]=3 6005 B15R1.1827 CNC(=O)c1cc(c(cc1C)OC)OC 1626a_100102657272_100000765401 [0,2,0,0,0,0|1,0,0]=3 6006 B15R1.1827 CNC(=O)c1cc(c(cc1C)OC)OC 240690a_100102657272_100000765401 [0,2,0,0,0,0|1,0,0]=3 6007 B15R1.1827 CNC(=O)c1cc(c(cc1C)OC)OC 527a_100102657272_100000765401 [0,2,0,0,0,0|1,0,0]=3 6008 B15R1.1827 CNC(=O)c1cc(c(cc1Cl)OC)OC 11a_106832991635_100000692841 [0,2,0,0,0,0|1,0,0]=3 6009 B15R1.1827 CNC(=O)c1cc(c(cc1Cl)OC)OC 1626a_100102657272_100000692841 [0,2,0,0,0,0|1,0,0]=3 6010 B15R1.1827 CNC(=O)c1cc(c(cc1Cl)OC)OC 240690a_100102657272_100000692841 [0,2,0,0,0,0|1,0,0]=3 6011 B15R1.1827 CNC(=O)c1cc(c(cc1Cl)OC)OC 527a_100102657272_100000692841 [0,2,0,0,0,0|1,0,0]=3 6012 B15R1.1827 CNC(=O)c1cc(c(cc1F)OC)OC 11a_106832991635_100000687845 [0,2,0,0,0,0|1,0,0]=3 6013 B15R1.1827 CNC(=O)c1cc(c(cc1F)OC)OC 1626a_100102657272_100000687845 [0,2,0,0,0,0|1,0,0]=3 6014 B15R1.1827 CNC(=O)c1cc(c(cc1F)OC)OC 240690a_100102657272_100000687845 [0,2,0,0,0,0|1,0,0]=3 6015 B15R1.1827 CNC(=O)c1cc(c(cc1F)OC)OC 527a_100102657272_100000687845 [0,2,0,0,0,0|1,0,0]=3 6016 B15R1.1827 CNC(=O)c1cc(c(cc1I)OC)OC 11a_106832991635_100000749224 [0,2,0,0,0,0|1,0,0]=3 6017 B15R1.1827 CNC(=O)c1cc(c(cc1I)OC)OC 1626a_100102657272_100000749224 [0,2,0,0,0,0|1,0,0]=3 6018 B15R1.1827 CNC(=O)c1cc(c(cc1I)OC)OC 240690a_100102657272_100000749224 [0,2,0,0,0,0|1,0,0]=3 6019 B15R1.1827 CNC(=O)c1cc(c(cc1I)OC)OC 527a_100102657272_100000749224 [0,2,0,0,0,0|1,0,0]=3 6020 B15R1.1827 CNC(=O)c1cc(c(cc1O)OC)OC 240690a_100102657272_100012177203 [0,2,0,0,0,0|1,0,0]=3 6021 B15R1.1827 COC(=O)c1cc(c(cc1C)OC)SC 62a_100010236281_200000210301 [0,2,0,0,0,0|0,1,0]=3 6022 B15R1.1827 COC(=O)c1cc(c(cc1C)OC)SC 62a_200000210301_100010236281 [0,2,0,0,0,0|0,1,0]=3 6023 B15R1.1827 COC(=O)c1cc(c(cc1C)OC)S[13CH3] 62a_100010236281_200025704644 [0,2,0,0,0,0|0,1,0]=3 6024 B15R1.1827 COC(=O)c1cc(c(cc1C)OC)S[13CH3] 62a_200025704644_100010236281 [0,2,0,0,0,0|0,1,0]=3 6025 B15R1.1827 COC(=O)c1cc(c(cc1F)OC)SC 62a_100015648668_200000210301 [0,2,0,0,0,0|0,1,0]=3 6026 B15R1.1827 COC(=O)c1cc(c(cc1F)OC)SC 62a_200000210301_100015648668 [0,2,0,0,0,0|0,1,0]=3 6027 B15R1.1827 COC(=O)c1cc(c(cc1F)OC)S[13CH3] 62a_100015648668_200025704644 [0,2,0,0,0,0|0,1,0]=3 6028 B15R1.1827 COC(=O)c1cc(c(cc1F)OC)S[13CH3] 62a_200025704644_100015648668 [0,2,0,0,0,0|0,1,0]=3 6029 B15R1.1827 COC(=O)c1cc(c(cc1N)OC)OC 34a_100009867527_200000210301 [0,2,0,0,0,0|0,0,0]=2 6030 B15R1.1827 COC(=O)c1cc(c(cc1N)OC)OC 7a_100009867527_200000210301 [0,2,0,0,0,0|0,0,0]=2 6031 B15R1.1827 COC(=O)c1cc(c(cc1N)OC)O[13CH3] 34a_100009867527_200025704644 [0,2,0,0,0,0|0,0,0]=2 6032 B15R1.1827 COC(=O)c1cc(c(cc1N)OC)O[13CH3] 7a_100009867527_200025704644 [0,2,0,0,0,0|0,0,0]=2 6033 B15R1.1827 COC(=O)c1cc(c(cc1N)OC)SC 62a_100000730826_200000210301 [0,2,0,0,0,0|0,1,0]=3 6034 B15R1.1827 COC(=O)c1cc(c(cc1N)OC)S[13CH3] 62a_100000730826_200025704644 [0,2,0,0,0,0|0,1,0]=3 6035 B15R1.1827 COC(=O)c1cc(c(cc1N)SC)OC 62a_100014686525_200000210301 [0,2,0,0,0,0|0,1,0]=3 6036 B15R1.1827 COC(=O)c1cc(c(cc1N)S[13CH3])OC 62a_100014686525_200025704644 [0,2,0,0,0,0|0,1,0]=3 6037 B15R1.1827 COC(=O)c1cc(c(cc1O)OC)OC 271570a_203496583355_100000058957 [0,2,0,0,0,0|0,0,0]=2 6038 B15R1.1827 COc1cc(c(cc1OC)C(=O)CBr)F 7a_100010235139_200000210301 [0,2,0,0,0,0|2,0,0]=4 6039 B15R1.1827 COc1cc(c(cc1OC)C(=O)CF)Br 1458a_100011217046_100015361967 [0,2,0,0,0,0|2,0,0]=4 6040 B15R1.1827 COc1cc(c(cc1OC)C(=O)CF)C 1458a_100000765401_100015361967 [0,2,0,0,0,0|2,0,0]=4 6041 B15R1.1827 COc1cc(c(cc1OC)C(=O)CF)Cl 1458a_100000692841_100015361967 [0,2,0,0,0,0|2,0,0]=4 6042 B15R1.1827 COc1cc(c(cc1OC)C(=O)CF)F 1458a_100000687845_100015361967 [0,2,0,0,0,0|2,0,0]=4 6043 B15R1.1827 COc1cc(c(cc1OC)C(=O)CF)I 1458a_100000749224_100015361967 [0,2,0,0,0,0|2,0,0]=4 6044 B15R1.1827 COc1cc(c(cc1OC)C(=O)CF)O 1458a_100012177203_100015361967 [0,2,0,0,0,0|2,0,0]=4 6045 B15R1.1827 COc1cc(c(cc1O[13CH3])F)C(=O)CBr 7a_100010235139_200025704644 [0,2,0,0,0,0|2,0,0]=4 6046 B15R1.1849 C=Cc1c(ccc(c1C)C(=O)OC)OC 271570a_100011290941_100010761468 [0,2,0,0,0,0|1,0,1]=4 6047 B15R1.1849 CCC(=O)c1ccc(c(c1Br)OC)OC 1458a_100010284110_100000210202 [0,2,0,0,0,0|1,0,0]=3 6048 B15R1.1849 CCC(=O)c1ccc(c(c1C)OC)OC 1458a_100000092638_100000210202 [0,2,0,0,0,0|1,0,0]=3 6049 B15R1.1849 CCC(=O)c1ccc(c(c1Cl)OC)OC 1458a_100011216413_100000210202 [0,2,0,0,0,0|1,0,0]=3 6050 B15R1.1849 CNC(=O)c1ccc(c(c1Br)OC)OC 11a_106832991635_100010284110 [0,2,0,0,0,0|1,0,0]=3 6051 B15R1.1849 CNC(=O)c1ccc(c(c1Br)OC)OC 1626a_100102657272_100010284110 [0,2,0,0,0,0|1,0,0]=3 6052 B15R1.1849 CNC(=O)c1ccc(c(c1Br)OC)OC 240690a_100102657272_100010284110 [0,2,0,0,0,0|1,0,0]=3 6053 B15R1.1849 CNC(=O)c1ccc(c(c1Br)OC)OC 527a_100102657272_100010284110 [0,2,0,0,0,0|1,0,0]=3 6054 B15R1.1849 CNC(=O)c1ccc(c(c1C)OC)OC 11a_106832991635_100000092638 [0,2,0,0,0,0|1,0,0]=3 6055 B15R1.1849 CNC(=O)c1ccc(c(c1C)OC)OC 1626a_100102657272_100000092638 [0,2,0,0,0,0|1,0,0]=3 6056 B15R1.1849 CNC(=O)c1ccc(c(c1C)OC)OC 240690a_100102657272_100000092638 [0,2,0,0,0,0|1,0,0]=3 6057 B15R1.1849 CNC(=O)c1ccc(c(c1C)OC)OC 527a_100102657272_100000092638 [0,2,0,0,0,0|1,0,0]=3 6058 B15R1.1849 CNC(=O)c1ccc(c(c1Cl)OC)OC 11a_106832991635_100011216413 [0,2,0,0,0,0|1,0,0]=3 6059 B15R1.1849 CNC(=O)c1ccc(c(c1Cl)OC)OC 1626a_100102657272_100011216413 [0,2,0,0,0,0|1,0,0]=3 6060 B15R1.1849 CNC(=O)c1ccc(c(c1Cl)OC)OC 240690a_100102657272_100011216413 [0,2,0,0,0,0|1,0,0]=3 6061 B15R1.1849 CNC(=O)c1ccc(c(c1Cl)OC)OC 527a_100102657272_100011216413 [0,2,0,0,0,0|1,0,0]=3 6062 B15R1.1849 COC(=O)c1ccc(c(c1C)SC)OC 62a_100010761468_200000210301 [0,2,0,0,0,0|0,1,0]=3 6063 B15R1.1849 COC(=O)c1ccc(c(c1C)SC)OC 62a_200000210301_100010761468 [0,2,0,0,0,0|0,1,0]=3 6064 B15R1.1849 COC(=O)c1ccc(c(c1C)S[13CH3])OC 62a_100010761468_200025704644 [0,2,0,0,0,0|0,1,0]=3 6065 B15R1.1849 COC(=O)c1ccc(c(c1C)S[13CH3])OC 62a_200025704644_100010761468 [0,2,0,0,0,0|0,1,0]=3 6066 B15R1.1849 COc1ccc(c(c1OC)Br)C(=O)CF 1458a_100010284110_100015361967 [0,2,0,0,0,0|2,0,0]=4 6067 B15R1.1849 COc1ccc(c(c1OC)C)C(=O)CF 1458a_100000092638_100015361967 [0,2,0,0,0,0|2,0,0]=4 6068 B15R1.1849 COc1ccc(c(c1OC)Cl)C(=O)CF 1458a_100011216413_100015361967 [0,2,0,0,0,0|2,0,0]=4 6069 B15R1.4045 C=C(C)c1ccc(cc1OC)C(=O)OC 271570a_100000694244_100009816954 [0,2,0,0,0,0|1,0,0]=3 6070 B15R1.4045 C=C(C)c1ccc(nc1OC)C(=O)OC 271570a_100000694244_100010189641 [0,2,0,0,0,0|2,0,0]=4 6071 B15R1.4045 C=C(C)c1cnc(cc1OC)C(=O)OC 271570a_100000694244_100010136178 [0,2,0,0,0,0|2,0,0]=4 6072 B15R1.4045 C=C(C)c1ncc(cc1OC)C(=O)OC 271570a_100000694244_100010074909 [0,2,0,0,0,0|2,0,0]=4 6073 B15R1.4045 CCC(=O)c1ccc(c(c1)OC)[N+](=O)[O-] 1458a_100000217213_100000210202 [0,2,0,0,0,0|1,0,1]=4 6074 B15R1.4045 CNC(=O)c1ccc(c(c1)OC)[N+](=O)[O-] 11a_106832991635_100000217213 [0,2,0,0,0,0|1,0,1]=4 6075 B15R1.4045 CNC(=O)c1ccc(c(c1)OC)[N+](=O)[O-] 1626a_100102657272_100000217213 [0,2,0,0,0,0|1,0,1]=4 6076 B15R1.4045 CNC(=O)c1ccc(c(c1)OC)[N+](=O)[O-] 240690a_100102657272_100000217213 [0,2,0,0,0,0|1,0,1]=4 6077 B15R1.4045 CNC(=O)c1ccc(c(c1)OC)[N+](=O)[O-] 527a_100102657272_100000217213 [0,2,0,0,0,0|1,0,1]=4 6078 B15R1.4045 COC(=O)c1ccc(c(c1)OC)[N+](=O)[O-] 34a_100000736507_200000210301 [0,2,0,0,0,0|0,0,1]=3 6079 B15R1.4045 COC(=O)c1ccc(c(c1)OC)[N+](=O)[O-] 7a_100000736507_200000210301 [0,2,0,0,0,0|0,0,1]=3 6080 B15R1.4045 COC(=O)c1ccc(c(c1)O[13CH3])[N+](=O)[O-] 34a_100000736507_200025704644 [0,2,0,0,0,0|0,0,1]=3 6081 B15R1.4045 COC(=O)c1ccc(c(c1)O[13CH3])[N+](=O)[O-] 7a_100000736507_200025704644 [0,2,0,0,0,0|0,0,1]=3 6082 B15R1.4045 COC(=O)c1ccc(c(c1)SC)C(C)C 62a_200000210301_200010236285 [0,2,0,0,0,0|1,1,0]=4 6083 B15R1.4045 COC(=O)c1ccc(c(c1)SC)C(C)C 62a_200010236285_200000210301 [0,2,0,0,0,0|1,1,0]=4 6084 B15R1.4045 COC(=O)c1ccc(c(c1)S[13CH3])C(C)C 62a_200010236285_200025704644 [0,2,0,0,0,0|1,1,0]=4 6085 B15R1.4045 COC(=O)c1ccc(c(c1)S[13CH3])C(C)C 62a_200025704644_200010236285 [0,2,0,0,0,0|1,1,0]=4 6086 B15R1.4045 COC(=O)c1cnc(c(c1)OC)N(C)C 27a_100102631434_100010074909 [0,2,0,0,0,0|2,0,0]=4 6087 B15R1.7061 C=C=Cc1ccc(cc1OC)C(=O)OC 271570a_100015277604_100009816954 [0,2,0,0,0,0|1,0,0]=3 6088 B15R1.7061 C=C=Cc1ccc(nc1OC)C(=O)OC 271570a_100015277604_100010189641 [0,2,0,0,0,0|2,0,0]=4 6089 B15R1.7061 C=C=Cc1cnc(cc1OC)C(=O)OC 271570a_100015277604_100010136178 [0,2,0,0,0,0|2,0,0]=4 6090 B15R1.7061 C=C=Cc1ncc(cc1OC)C(=O)OC 271570a_100015277604_100010074909 [0,2,0,0,0,0|2,0,0]=4 6091 B15R1.7061 CC=Cc1ccc(cc1OC)C(=O)OC 271570a_100016259895_100009816954 [0,2,0,0,0,0|1,0,0]=3 6092 B15R1.7061 CC=Cc1ccc(nc1OC)C(=O)OC 271570a_100016259895_100010189641 [0,2,0,0,0,0|2,0,0]=4 6093 B15R1.7061 CC=Cc1cnc(cc1OC)C(=O)OC 271570a_100016259895_100010136178 [0,2,0,0,0,0|2,0,0]=4 6094 B15R1.7061 CC=Cc1ncc(cc1OC)C(=O)OC 271570a_100016259895_100010074909 [0,2,0,0,0,0|2,0,0]=4 6095 B15R1.7061 CCC(=O)c1ccc(c(c1)OC)CNC 26a_100102657272_100000012293 [0,2,0,0,0,0|2,0,0]=4 6096 B15R1.7061 CCC(=O)c1ccc(c(c1)OC)OCF 34a_100000012293_100015361967 [0,2,0,0,0,0|1,0,0]=3 6097 B15R1.7061 CCC(=O)c1ccc(c(c1)OC)OCF 7a_100000012293_100015361967 [0,2,0,0,0,0|1,0,0]=3 6098 B15R1.7061 CCNc1ccc(cc1OC)C(=O)NC 2230a_100011850465_100000210202 [0,2,0,0,0,0|2,0,0]=4 6099 B15R1.7061 CCNc1ccc(cc1OC)C(=O)NC 34a_100011850465_100000210202 [0,2,0,0,0,0|2,0,0]=4 6100 B15R1.7061 CCNc1ncc(cc1OC)C(=O)OC 27a_100015525214_100010074909 [0,2,0,0,0,0|2,0,0]=4 6101 B15R1.7061 CCOc1ccc(cc1C#N)C(=O)OC 34a_100009865136_100000210202 [0,2,0,0,0,0|2,0,0]=4 6102 B15R1.7061 CCOc1ccc(cc1C#N)C(=O)OC 7a_100009865136_100000210202 [0,2,0,0,0,0|2,0,0]=4 6103 B15R1.7061 CCOc1ccc(cc1OC)C(=O)CC 1458a_100000184834_100000210202 [0,2,0,0,0,0|1,0,0]=3 6104 B15R1.7061 CCOc1ccc(cc1OC)C(=O)CC 34a_100000012293_100000210202 [0,2,0,0,0,0|1,0,0]=3 6105 B15R1.7061 CCOc1ccc(cc1OC)C(=O)CC 7a_100000012293_100000210202 [0,2,0,0,0,0|1,0,0]=3 6106 B15R1.7061 CCOc1ccc(cc1OC)C(=O)CF 1458a_100000184834_100015361967 [0,2,0,0,0,0|2,0,0]=4 6107 B15R1.7061 CCOc1ccc(cc1OC)C(=O)NC 11a_106832991635_100000184834 [0,2,0,0,0,0|1,0,0]=3 6108 B15R1.7061 CCOc1ccc(cc1OC)C(=O)NC 1626a_100102657272_100000184834 [0,2,0,0,0,0|1,0,0]=3 6109 B15R1.7061 CCOc1ccc(cc1OC)C(=O)NC 240690a_100102657272_100000184834 [0,2,0,0,0,0|1,0,0]=3 6110 B15R1.7061 CCOc1ccc(cc1OC)C(=O)NC 527a_100102657272_100000184834 [0,2,0,0,0,0|1,0,0]=3 6111 B15R1.7061 CCOc1ccc(cc1OC)C(=O)NN 34a_100000008232_100000210202 [0,2,0,0,0,0|2,0,0]=4 6112 B15R1.7061 CCOc1ccc(cc1OC)C(=O)OC 34a_100000212147_100000210202 [0,2,0,0,0,0|0,0,0]=2 6113 B15R1.7061 CCOc1ccc(cc1OC)C(=O)OC 7a_100000212147_100000210202 [0,2,0,0,0,0|0,0,0]=2 6114 B15R1.7061 CCSc1ccc(cc1OC)C(=O)OC 62a_100000210202_100009816954 [0,2,0,0,0,0|0,1,0]=3 6115 B15R1.7061 CCSc1ccc(cc1OC)C(=O)OC 62a_100009816954_100000210202 [0,2,0,0,0,0|0,1,0]=3 6116 B15R1.7061 CCSc1ccc(nc1OC)C(=O)OC 62a_100000210202_100010189641 [0,2,0,0,0,0|1,1,0]=4 6117 B15R1.7061 CCSc1ccc(nc1OC)C(=O)OC 62a_100010189641_100000210202 [0,2,0,0,0,0|1,1,0]=4 6118 B15R1.7061 CCSc1cnc(cc1OC)C(=O)OC 62a_100000210202_100010136178 [0,2,0,0,0,0|1,1,0]=4 6119 B15R1.7061 CCSc1cnc(cc1OC)C(=O)OC 62a_100010136178_100000210202 [0,2,0,0,0,0|1,1,0]=4 6120 B15R1.7061 CCSc1ncc(cc1OC)C(=O)OC 62a_100000210202_100010074909 [0,2,0,0,0,0|1,1,0]=4 6121 B15R1.7061 CCSc1ncc(cc1OC)C(=O)OC 62a_100010136190_100000210202 [0,2,0,0,0,0|1,1,0]=4 6122 B15R1.7061 CNC(=O)c1ccc(c(c1)OC)NCF 34a_100011850465_100015361967 [0,2,0,0,0,0|2,0,0]=4 6123 B15R1.7061 CNCc1ccc(cc1OC)C(=O)OC 2230a_106832991635_100000765176 [0,2,0,0,0,0|1,0,0]=3 6124 B15R1.7061 CNCc1ccc(cc1OC)C(=O)OC 26a_100102657272_100000212147 [0,2,0,0,0,0|1,0,0]=3 6125 B15R1.7061 CNCc1ccc(cc1OC)C(=O)OC 270004a_106832991635_100009848378 [0,2,0,0,0,0|1,0,0]=3 6126 B15R1.7061 CNCc1ccc(cc1OC)C(=O)OC 34a_100102657272_100000765176 [0,2,0,0,0,0|1,0,0]=3 6127 B15R1.7061 CNCc1ccc(cc1OC)C(=O)OC 7a_106832991635_100000765176 [0,2,0,0,0,0|1,0,0]=3 6128 B15R1.7061 COC(=O)c1cc(c(cn1)SCF)OC 62a_100010136178_100015361967 [0,2,0,0,0,0|1,1,0]=4 6129 B15R1.7061 COC(=O)c1cc(c(cn1)SCF)OC 62a_100015361967_100010136178 [0,2,0,0,0,0|1,1,0]=4 6130 B15R1.7061 COC(=O)c1ccc(c(c1)C#N)OCF 34a_100009865136_100015361967 [0,2,0,0,0,0|2,0,0]=4 6131 B15R1.7061 COC(=O)c1ccc(c(c1)C#N)OCF 7a_100009865136_100015361967 [0,2,0,0,0,0|2,0,0]=4 6132 B15R1.7061 COC(=O)c1ccc(c(c1)OC)CO[13CH3] 34a_100010744631_200025704644 [0,2,0,0,0,0|0,0,0]=2 6133 B15R1.7061 COC(=O)c1ccc(c(c1)OC)CO[13CH3] 7a_100010744631_200025704644 [0,2,0,0,0,0|0,0,0]=2 6134 B15R1.7061 COC(=O)c1ccc(c(c1)OC)CSC 62a_100000765176_200000210301 [0,2,0,0,0,0|0,1,0]=3 6135 B15R1.7061 COC(=O)c1ccc(c(c1)OC)CSC 62a_200000210301_100000765176 [0,2,0,0,0,0|0,1,0]=3 6136 B15R1.7061 COC(=O)c1ccc(c(c1)OC)CS[13CH3] 62a_100000765176_200025704644 [0,2,0,0,0,0|0,1,0]=3 6137 B15R1.7061 COC(=O)c1ccc(c(c1)OC)CS[13CH3] 62a_200025704644_100000765176 [0,2,0,0,0,0|0,1,0]=3 6138 B15R1.7061 COC(=O)c1ccc(c(c1)OC)OCF 34a_100000212147_100015361967 [0,2,0,0,0,0|0,0,0]=2 6139 B15R1.7061 COC(=O)c1ccc(c(c1)OC)OCF 7a_100000212147_100015361967 [0,2,0,0,0,0|0,0,0]=2 6140 B15R1.7061 COC(=O)c1ccc(c(c1)OC)SCF 62a_100009816954_100015361967 [0,2,0,0,0,0|0,1,0]=3 6141 B15R1.7061 COC(=O)c1ccc(c(c1)OC)SCF 62a_100015361967_100009816954 [0,2,0,0,0,0|0,1,0]=3 6142 B15R1.7061 COC(=O)c1ccc(c(n1)OC)SCF 62a_100010189641_100015361967 [0,2,0,0,0,0|1,1,0]=4 6143 B15R1.7061 COC(=O)c1ccc(c(n1)OC)SCF 62a_100015361967_100010189641 [0,2,0,0,0,0|1,1,0]=4 6144 B15R1.7061 COC(=O)c1cnc(c(c1)OC)SCF 62a_100010136190_100015361967 [0,2,0,0,0,0|1,1,0]=4 6145 B15R1.7061 COC(=O)c1cnc(c(c1)OC)SCF 62a_100015361967_100010074909 [0,2,0,0,0,0|1,1,0]=4 6146 B15R1.7061 COCc1ccc(cc1OC)C(=O)OC 34a_100010744631_200000210301 [0,2,0,0,0,0|0,0,0]=2 6147 B15R1.7061 COCc1ccc(cc1OC)C(=O)OC 34a_100138415774_100000765176 [0,2,0,0,0,0|0,0,0]=2 6148 B15R1.7061 COCc1ccc(cc1OC)C(=O)OC 7a_100010744631_200000210301 [0,2,0,0,0,0|0,0,0]=2 6149 B15R1.7061 COc1cc(ccc1OCF)C(=O)NN 34a_100000008232_100015361967 [0,2,0,0,0,0|2,0,0]=4 6150 B15R1.16219 CNS(=O)(=O)c1ccc(c(c1)OC)OC 270084a_100102657272_100000212161 [0,2,0,0,0,0|2,0,0]=4 6151 B15R1.16219 CNS(=O)(=O)c1ccc(c(c1)OC)OC 274078a_100102657272_100000212161 [0,2,0,0,0,0|2,0,0]=4 6152 B15R1.16219 CNS(=O)(=O)c1ccc(c(c1)OC)OC 40a_100102657272_100010304489 [0,2,0,0,0,0|2,0,0]=4 6153 B15R1.1791 C=Cc1cc(c(cc1C(=O)OC)OC)F 271570a_100011290941_100010269054 [0,2,0,0,0,0|1,0,0]=3 6154 B15R1.1791 COC(=O)c1cc(c(cc1OC)C)SC 62a_100010233953_200000210301 [0,2,0,0,0,0|1,1,0]=4 6155 B15R1.1791 COC(=O)c1cc(c(cc1OC)C)SC 62a_200000210301_100010200788 [0,2,0,0,0,0|1,1,0]=4 6156 B15R1.1791 COC(=O)c1cc(c(cc1OC)C)S[13CH3] 62a_100010233953_200025704644 [0,2,0,0,0,0|1,1,0]=4 6157 B15R1.1791 COC(=O)c1cc(c(cc1OC)C)S[13CH3] 62a_200025704644_100010200788 [0,2,0,0,0,0|1,1,0]=4 6158 B15R1.1791 COC(=O)c1cc(c(cc1OC)F)SC 62a_100010203351_200000210301 [0,2,0,0,0,0|1,1,0]=4 6159 B15R1.1791 COC(=O)c1cc(c(cc1OC)F)S[13CH3] 62a_100010203351_200025704644 [0,2,0,0,0,0|1,1,0]=4 6160 B15R1.1791 COC(=O)c1cc(c(cc1OC)N)SC 62a_100010236250_200000210301 [0,2,0,0,0,0|1,1,0]=4 6161 B15R1.1791 COC(=O)c1cc(c(cc1OC)N)S[13CH3] 62a_100010236250_200025704644 [0,2,0,0,0,0|1,1,0]=4 6162 B15R1.1791 COC(=O)c1cc(c(cc1SC)F)OC 62a_100010269054_200000210301 [0,2,0,0,0,0|1,0,0]=3 6163 B15R1.1791 COC(=O)c1cc(c(cc1S[13CH3])F)OC 62a_100010269054_200025704644 [0,2,0,0,0,0|1,0,0]=3 6164 B15R1.5325 CCC(=O)c1c(cc(c(c1F)OC)Cl)Cl 1458a_100160470565_100000210202 [0,2,0,0,0,0|2,0,0]=4 6165 B15R1.5325 CCC(=O)c1c(cc(c(c1F)OC)F)F 1458a_100000062153_100000210202 [0,2,0,0,0,0|2,0,0]=4 6166 B15R1.5325 CNC(=O)c1c(cc(c(c1F)OC)Cl)Cl 11a_106832991635_100160470565 [0,2,0,0,0,0|2,0,0]=4 6167 B15R1.5325 CNC(=O)c1c(cc(c(c1F)OC)Cl)Cl 1626a_100102657272_100160470565 [0,2,0,0,0,0|2,0,0]=4 6168 B15R1.5325 CNC(=O)c1c(cc(c(c1F)OC)Cl)Cl 240690a_100102657272_100160470565 [0,2,0,0,0,0|2,0,0]=4 6169 B15R1.5325 CNC(=O)c1c(cc(c(c1F)OC)Cl)Cl 527a_100102657272_100160470565 [0,2,0,0,0,0|2,0,0]=4 6170 B15R1.5325 CNC(=O)c1c(cc(c(c1F)OC)F)F 11a_106832991635_100000062153 [0,2,0,0,0,0|2,0,0]=4 6171 B15R1.5325 CNC(=O)c1c(cc(c(c1F)OC)F)F 1626a_100102657272_100000062153 [0,2,0,0,0,0|2,0,0]=4 6172 B15R1.5325 CNC(=O)c1c(cc(c(c1F)OC)F)F 240690a_100102657272_100000062153 [0,2,0,0,0,0|2,0,0]=4 6173 B15R1.5325 CNC(=O)c1c(cc(c(c1F)OC)F)F 527a_100102657272_100000062153 [0,2,0,0,0,0|2,0,0]=4 6174 B13R1.139 CC=Cc1ccc(cc1)C(=O)OC 271570a_100016259895_100000150774 [0,0,1,1,0,0|2,0,0]=4 6175 B13R1.139 CC=Cc1ccc(cn1)C(=O)OC 271570a_100016259895_100000733799 [0,0,1,1,0,0|2,0,0]=4 6176 B13R1.139 COC(=O)c1ccc(cc1)CO[13CH3] 34a_100000151488_200025704644 [0,0,1,1,0,0|1,0,1]=4 6177 B13R1.139 COC(=O)c1ccc(cc1)CO[13CH3] 7a_100000151488_200025704644 [0,0,1,1,0,0|1,0,1]=4 6178 B13R1.139 COC(=O)c1ccc(nc1)CO[13CH3] 34a_100000239634_200025704644 [0,0,1,1,0,0|1,0,1]=4 6179 B13R1.139 COCc1ccc(cc1)C(=O)OC 34a_100000151488_200000210301 [0,0,1,1,0,0|1,0,1]=4 6180 B13R1.139 COCc1ccc(cc1)C(=O)OC 34a_100138415774_100000735637 [0,0,1,1,0,0|1,0,1]=4 6181 B13R1.139 COCc1ccc(cc1)C(=O)OC 7a_100000151488_200000210301 [0,0,1,1,0,0|1,0,1]=4 6182 B13R1.139 COCc1ccc(cn1)C(=O)OC 34a_100000239634_200000210301 [0,0,1,1,0,0|1,0,1]=4 6183 B13R1.139 COCc1ccc(cn1)C(=O)OC 34a_100138415774_100010230174 [0,0,1,1,0,0|1,0,1]=4 6184 B13R1.382 CC=Cc1ccccc1C(=O)OC 271570a_100016259895_100000148710 [0,0,1,1,0,0|2,0,0]=4 6185 B13R1.382 CC=Cc1ncccc1C(=O)OC 271570a_100016259895_100000150852 [0,0,1,1,0,0|2,0,0]=4 6186 B13R1.382 COCc1ccccc1C(=O)OC 34a_100138415774_100000744672 [0,0,1,1,0,0|1,0,1]=4 6187 B13R1.382 COCc1ncccc1C(=O)OC 34a_100138415774_100012347567 [0,0,1,1,0,0|1,0,1]=4 6188 B13R1.528 COC(=O)/C=C/c1ccccc1O 271570a_203496583355_100000151022 [0,0,1,1,0,0|1,0,1]=4 6189 B13R1.2200 C=Cc1cc(c(cc1OC)Br)OC 271570a_100011290941_100013799044 [0,0,1,1,0,0|2,0,0]=4 6190 B13R1.2200 C=Cc1cc(c(cc1OC)C)OC 271570a_100011290941_100000039368 [0,0,1,1,0,0|2,0,0]=4 6191 B13R1.2200 C=Cc1cc(c(cc1OC)Cl)OC 271570a_100011290941_100000023288 [0,0,1,1,0,0|2,0,0]=4 6192 B13R1.2200 C=Cc1cc(c(cc1OC)O)OC 271570a_100011290941_100009816818 [0,0,1,1,0,0|1,0,0]=3 6193 B13R1.2200 COc1cc(c(cc1O)OC)C=O 271570a_203496583355_100000188581 [0,0,1,1,0,0|2,0,0]=4 6194 B13R2.430 C=C(C)c1ccc2c(c1)CCO2 271570a_100000694244_100000729065 [1,0,0,1,0,0|2,0,0]=4 6195 B13R2.430 C=C(C)c1ccc2c(c1)OCC2 271570a_100000694244_100009818566 [1,0,0,1,0,0|2,0,0]=4 6196 B13R2.430 C=C(C)c1ccc2c(c1)OCO2 271570a_100000694244_100000688060 [1,0,0,1,0,0|1,0,0]=3 6197 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200000210301 [1,0,0,1,0,0|2,0,0]=4 6198 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200000210301 [1,0,0,1,0,0|1,0,0]=3 6199 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200000210301 [1,0,0,1,0,0|0,0,0]=2 6200 B13R2.430 CC(=O)c1ccc2ccoc2c1 1458a_100000077109_200000210301 [1,0,0,1,0,0|1,0,1]=4 6201 B13R2.430 CC(=O)c1ccc2ncoc2c1 1458a_100000750374_200000210301 [1,0,0,1,0,0|1,0,1]=4 6202 B13R2.430 CC(=O)c1ccc2occc2c1 1458a_100000039204_200000210301 [1,0,0,1,0,0|1,0,1]=4 6203 B13R2.430 CC(=O)c1ccc2ocnc2c1 1458a_100000238527_200000210301 [1,0,0,1,0,0|1,0,1]=4 6204 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200025704644 [1,0,0,1,0,0|2,0,0]=4 6205 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200025704644 [1,0,0,1,0,0|1,0,0]=3 6206 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200025704644 [1,0,0,1,0,0|0,0,0]=2 6207 B13R2.430 [13CH3]C(=O)c1ccc2ccoc2c1 1458a_100000077109_200025704644 [1,0,0,1,0,0|1,0,1]=4 6208 B13R2.430 [13CH3]C(=O)c1ccc2ncoc2c1 1458a_100000750374_200025704644 [1,0,0,1,0,0|1,0,1]=4 6209 B13R2.430 [13CH3]C(=O)c1ccc2occc2c1 1458a_100000039204_200025704644 [1,0,0,1,0,0|1,0,1]=4 6210 B13R2.430 [13CH3]C(=O)c1ccc2ocnc2c1 1458a_100000238527_200025704644 [1,0,0,1,0,0|1,0,1]=4 6211 B13R2.2461 COc1cc(ccc1O)C2CC2 271570a_100011220607_100000694246 [1,0,0,1,0,0|1,0,1]=4 6212 B13R2.449 C=C=Cc1ccc2c(c1)OCO2 271570a_100015277604_100000688060 [1,0,0,1,0,0|1,0,1]=4 6213 B13R2.449 CC=Cc1ccc2c(c1)CCO2 271570a_100016259895_100000729065 [1,0,0,1,0,0|2,0,0]=4 6214 B13R2.449 CC=Cc1ccc2c(c1)OCC2 271570a_100016259895_100009818566 [1,0,0,1,0,0|2,0,0]=4 6215 B13R2.449 CC=Cc1ccc2c(c1)OCO2 271570a_100016259895_100000688060 [1,0,0,1,0,0|1,0,0]=3 6216 B13R2.449 CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210202 [1,0,0,1,0,0|2,0,0]=4 6217 B13R2.449 CCNc1ccc2c(c1)OCO2 34a_100000209953_100000210202 [1,0,0,1,0,0|2,0,0]=4 6218 B13R2.449 CCOc1ccc2c(c1)OCO2 34a_100000210298_100000210202 [1,0,0,1,0,0|2,0,0]=4 6219 B13R2.449 CNCc1ccc2c(c1)OCO2 2230a_100000210006_200000210301 [1,0,0,1,0,0|1,0,1]=4 6220 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100000210006_200000210301 [1,0,0,1,0,0|1,0,1]=4 6221 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100102657272_100000189651 [1,0,0,1,0,0|1,0,1]=4 6222 B13R2.449 CNCc1ccc2c(c1)OCO2 7a_106832991635_100000189651 [1,0,0,1,0,0|1,0,1]=4 6223 B13R2.449 COCc1ccc2c(c1)CCO2 34a_100011219353_200000210301 [1,0,0,1,0,0|1,0,1]=4 6224 B13R2.449 COCc1ccc2c(c1)CCO2 7a_100011219353_200000210301 [1,0,0,1,0,0|1,0,1]=4 6225 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100000210967_200000210301 [1,0,0,1,0,0|0,0,1]=3 6226 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100138415774_100000189651 [1,0,0,1,0,0|0,0,1]=3 6227 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 2230a_100000210006_200025704644 [1,0,0,1,0,0|1,0,1]=4 6228 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 34a_100000210006_200025704644 [1,0,0,1,0,0|1,0,1]=4 6229 B13R2.449 [13CH3]OCc1ccc2c(c1)CCO2 34a_100011219353_200025704644 [1,0,0,1,0,0|1,0,1]=4 6230 B13R2.449 [13CH3]OCc1ccc2c(c1)CCO2 7a_100011219353_200025704644 [1,0,0,1,0,0|1,0,1]=4 6231 B13R2.449 [13CH3]OCc1ccc2c(c1)OCO2 34a_100000210967_200025704644 [1,0,0,1,0,0|0,0,1]=3 6232 B13R2.599 COc1cc2cc[nH]c2cc1O 271570a_203496583355_100010245486 [1,0,0,1,0,0|2,0,0]=4 6233 B13R2.599 COc1cc2cn[nH]c2cc1O 271570a_203496583355_100010074698 [1,0,0,1,0,0|2,0,0]=4 6234 B13R2.1139 CCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000210202 [1,0,0,1,0,0|2,0,0]=4 6235 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 11a_106832991635_100000137882 [1,0,0,1,0,0|2,0,0]=4 6236 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 1626a_100102657272_100000137882 [1,0,0,1,0,0|2,0,0]=4 6237 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 240690a_100102657272_100000137882 [1,0,0,1,0,0|2,0,0]=4 6238 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 527a_100102657272_100000137882 [1,0,0,1,0,0|2,0,0]=4 6239 B13R2.5180 Cc1c(ccc2c1CCC2=O)O 271570a_203496583355_100010133460 [1,0,0,1,0,0|1,0,0]=3 6240 B13R2.5180 Cc1c(ccc2c1COC2=O)O 271570a_203496583355_100010986288 [1,0,0,1,0,0|0,0,0]=2 6241 B13R2.5180 Cc1ccc2c(c1O)CCC2=O 271570a_203496583355_100010133459 [1,0,0,1,0,0|2,0,0]=4 6242 B13R2.5180 O=C1CCc2c1ccc(c2F)O 271570a_203496583355_100010133455 [1,0,0,1,0,0|2,0,0]=4 6243 B13R2.5180 O=C1CCc2c1ccc(c2O)F 271570a_203496583355_200010133454 [1,0,0,1,0,0|2,0,0]=4 6244 B13R2.11634 Cc1cc2c(cc1O)C(=O)CC2 271570a_203496583355_100010133461 [1,0,0,1,0,0|2,0,0]=4 6245 B13R2.11634 Cc1cc2c(cc1O)CCC2=O 271570a_203496583355_100010010902 [1,0,0,1,0,0|1,0,0]=3 6246 B13R2.11634 Nc1cc2c(cc1O)C(=O)CC2 271570a_203496583355_100010080117 [1,0,0,1,0,0|2,0,0]=4 6247 B13R2.11634 O=C1CCc2c1cc(c(c2)F)O 271570a_203496583355_100010010871 [1,0,0,1,0,0|2,0,0]=4 6248 B13R2.11634 O=C1CCc2c1cc(c(c2)O)F 271570a_203496583355_100010010804 [1,0,0,1,0,0|2,0,0]=4 6249 B13R2.573 C=Cc1cccc2c1COC2=O 271570a_100011290941_100010167076 [1,0,0,1,0,0|1,0,1]=4 6250 B13R2.573 CNc1cccc2c1CNC2=O 2230a_100000087543_200000210301 [1,0,0,1,0,0|2,0,0]=4 6251 B13R2.573 COc1cccc2c1CCC2=O 34a_100000240044_200000210301 [1,0,0,1,0,0|1,0,0]=3 6252 B13R2.573 COc1cccc2c1CCC2=O 7a_100000240044_200000210301 [1,0,0,1,0,0|1,0,0]=3 6253 B13R2.573 COc1cccc2c1CNC2=O 34a_100000098541_200000210301 [1,0,0,1,0,0|1,0,0]=3 6254 B13R2.573 CSc1cccc2c1CCC2=O 62a_100000049675_200000210301 [1,0,0,1,0,0|1,1,0]=4 6255 B13R2.573 CSc1cccc2c1CCC2=O 62a_200000210301_100000049675 [1,0,0,1,0,0|1,1,0]=4 6256 B13R2.573 CSc1cccc2c1CNC2=O 62a_100000688282_200000210301 [1,0,0,1,0,0|1,1,0]=4 6257 B13R2.573 CSc1cccc2c1COC2=O 62a_100010167076_200000210301 [1,0,0,1,0,0|0,1,0]=3 6258 B13R2.573 [13CH3]Nc1cccc2c1CNC2=O 2230a_100000087543_200025704644 [1,0,0,1,0,0|2,0,0]=4 6259 B13R2.573 [13CH3]Oc1cccc2c1CCC2=O 34a_100000240044_200025704644 [1,0,0,1,0,0|1,0,0]=3 6260 B13R2.573 [13CH3]Oc1cccc2c1CCC2=O 7a_100000240044_200025704644 [1,0,0,1,0,0|1,0,0]=3 6261 B13R2.573 [13CH3]Oc1cccc2c1CNC2=O 34a_100000098541_200025704644 [1,0,0,1,0,0|1,0,0]=3 6262 B13R2.573 [13CH3]Sc1cccc2c1CCC2=O 62a_100000049675_200025704644 [1,0,0,1,0,0|1,1,0]=4 6263 B13R2.573 [13CH3]Sc1cccc2c1CCC2=O 62a_200025704644_100000049675 [1,0,0,1,0,0|1,1,0]=4 6264 B13R2.573 [13CH3]Sc1cccc2c1CNC2=O 62a_100000688282_200025704644 [1,0,0,1,0,0|1,1,0]=4 6265 B13R2.573 [13CH3]Sc1cccc2c1COC2=O 62a_100010167076_200025704644 [1,0,0,1,0,0|0,1,0]=3 6266 B13R2.669 C=Cc1ccc2c(c1)C(=O)OC2 271570a_100011290941_100000693025 [1,0,0,1,0,0|1,0,1]=4 6267 B13R2.669 COc1ccc2c(c1)C(=O)CC2 34a_100009827925_200000210301 [1,0,0,1,0,0|1,0,0]=3 6268 B13R2.669 COc1ccc2c(c1)C(=O)CC2 7a_100009827925_200000210301 [1,0,0,1,0,0|1,0,0]=3 6269 B13R2.669 COc1ccc2c(c1)C(=O)NC2 34a_100000087830_200000210301 [1,0,0,1,0,0|1,0,0]=3 6270 B13R2.669 CSc1ccc2c(c1)C(=O)CC2 62a_100000759401_200000210301 [1,0,0,1,0,0|1,1,0]=4 6271 B13R2.669 CSc1ccc2c(c1)C(=O)CC2 62a_200000210301_100000759401 [1,0,0,1,0,0|1,1,0]=4 6272 B13R2.669 CSc1ccc2c(c1)C(=O)NC2 62a_100000688121_200000210301 [1,0,0,1,0,0|1,1,0]=4 6273 B13R2.669 CSc1ccc2c(c1)C(=O)NC2 62a_200000210301_100000688121 [1,0,0,1,0,0|1,1,0]=4 6274 B13R2.669 CSc1ccc2c(c1)C(=O)OC2 62a_100000693025_200000210301 [1,0,0,1,0,0|0,1,0]=3 6275 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)CC2 34a_100009827925_200025704644 [1,0,0,1,0,0|1,0,0]=3 6276 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)CC2 7a_100009827925_200025704644 [1,0,0,1,0,0|1,0,0]=3 6277 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)NC2 34a_100000087830_200025704644 [1,0,0,1,0,0|1,0,0]=3 6278 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CC2 62a_100000759401_200025704644 [1,0,0,1,0,0|1,1,0]=4 6279 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CC2 62a_200025704644_100000759401 [1,0,0,1,0,0|1,1,0]=4 6280 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)NC2 62a_100000688121_200025704644 [1,0,0,1,0,0|1,1,0]=4 6281 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)NC2 62a_200025704644_100000688121 [1,0,0,1,0,0|1,1,0]=4 6282 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)OC2 62a_100000693025_200025704644 [1,0,0,1,0,0|0,1,0]=3 6283 B15R2.4343 C=CC(=O)Nc1ccc2c(c1)OCO2 1626a_100000209953_100000185746 [0,0,0,1,0,1|1,0,1]=4 6284 B15R2.4343 C=CC(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100000185746 [0,0,0,1,0,1|1,0,1]=4 6285 B15R2.4343 CCC(=O)Cc1ccc2c(c1)CCO2 1458a_100000242752_100000210202 [0,0,0,1,0,1|2,0,0]=4 6286 B15R2.4343 CCC(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_100000210202 [0,0,0,1,0,1|1,0,0]=3 6287 B15R2.4343 CCC(=O)Nc1ccc2c(c1)CCO2 11a_100000736984_100000210414 [0,0,0,1,0,1|2,0,0]=4 6288 B15R2.4343 CCC(=O)Nc1ccc2c(c1)CCO2 1626a_100000736984_100000210414 [0,0,0,1,0,1|2,0,0]=4 6289 B15R2.4343 CCC(=O)Nc1ccc2c(c1)CCO2 22a_100000736984_100000210414 [0,0,0,1,0,1|2,0,0]=4 6290 B15R2.4343 CCC(=O)Nc1ccc2c(c1)CCO2 527a_100000736984_100000210414 [0,0,0,1,0,1|2,0,0]=4 6291 B15R2.4343 CCC(=O)Nc1ccc2c(c1)OCO2 11a_100000209953_100000210414 [0,0,0,1,0,1|1,0,0]=3 6292 B15R2.4343 CCC(=O)Nc1ccc2c(c1)OCO2 1626a_100000209953_100000210414 [0,0,0,1,0,1|1,0,0]=3 6293 B15R2.4343 CCC(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100000210414 [0,0,0,1,0,1|1,0,0]=3 6294 B15R2.4343 CCC(=O)Nc1ccc2c(c1)OCO2 527a_100000209953_100000210414 [0,0,0,1,0,1|1,0,0]=3 6295 B15R2.4343 CNC(=O)Cc1ccc2c(c1)CCO2 11a_106832991635_100000242752 [0,0,0,1,0,1|2,0,0]=4 6296 B15R2.4343 CNC(=O)Cc1ccc2c(c1)CCO2 1626a_100102657272_100000242752 [0,0,0,1,0,1|2,0,0]=4 6297 B15R2.4343 CNC(=O)Cc1ccc2c(c1)CCO2 240690a_100102657272_100000242752 [0,0,0,1,0,1|2,0,0]=4 6298 B15R2.4343 CNC(=O)Cc1ccc2c(c1)CCO2 527a_100102657272_100000242752 [0,0,0,1,0,1|2,0,0]=4 6299 B15R2.4343 CNC(=O)Cc1ccc2c(c1)OCO2 11a_106832991635_100000743733 [0,0,0,1,0,1|1,0,0]=3 6300 B15R2.4343 CNC(=O)Cc1ccc2c(c1)OCO2 240690a_100102657272_100000743733 [0,0,0,1,0,1|1,0,0]=3 6301 B15R2.4343 CNC(=O)Cc1ccc2c(c1)OCO2 527a_100102657272_100000743733 [0,0,0,1,0,1|1,0,0]=3 6302 B15R2.4343 CNC(=O)Nc1ccc2c(c1)CCO2 2430a_100000736984_100102657272 [0,0,0,1,0,1|2,0,0]=4 6303 B15R2.4343 CNC(=O)Nc1ccc2c(c1)CCO2 512a_100000736984_100102657272 [0,0,0,1,0,1|2,0,0]=4 6304 B15R2.4343 CNC(=O)Nc1ccc2c(c1)OCO2 2430a_100000209953_100102657272 [0,0,0,1,0,1|1,0,0]=3 6305 B15R2.4343 O=C(CF)Cc1ccc2c(c1)OCO2 1458a_100000743733_100015361967 [0,0,0,1,0,1|2,0,0]=4 6306 B15R2.4343 O=C(CO)Nc1ccc2c(c1)OCO2 22a_100000209953_100000210174 [0,0,0,1,0,1|2,0,0]=4 6307 B15R2.4343 O=C(CO)Nc1ccc2c(c1)OCO2 527a_100000209953_100000210174 [0,0,0,1,0,1|2,0,0]=4 6308 B15R2.4239 CC(=C(C)c1ccc2c(c1)OCO2)C 271570a_200000049429_100000688060 [0,1,0,1,0,0|2,0,0]=4 6309 B15R2.4239 CC(C)C(=O)c1ccc2c(c1)CCO2 1458a_100011207309_100000210206 [0,1,0,1,0,0|2,0,0]=4 6310 B15R2.4239 CC(C)C(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100000210206 [0,1,0,1,0,0|1,0,0]=3 6311 B15R2.4239 CN(C)C(=O)c1ccc2c(c1)CCO2 11a_100102631434_100011207309 [0,1,0,1,0,0|2,0,0]=4 6312 B15R2.4239 CN(C)C(=O)c1ccc2c(c1)CCO2 1626a_100102631434_100011207309 [0,1,0,1,0,0|2,0,0]=4 6313 B15R2.4239 CN(C)C(=O)c1ccc2c(c1)CCO2 240690a_100102631434_100011207309 [0,1,0,1,0,0|2,0,0]=4 6314 B15R2.4239 CN(C)C(=O)c1ccc2c(c1)CCO2 527a_100102631434_100011207309 [0,1,0,1,0,0|2,0,0]=4 6315 B15R2.4239 CN(C)C(=O)c1ccc2c(c1)OCO2 11a_100102631434_100000210863 [0,1,0,1,0,0|1,0,0]=3 6316 B15R2.4239 CN(C)C(=O)c1ccc2c(c1)OCO2 1626a_100102631434_100000210863 [0,1,0,1,0,0|1,0,0]=3 6317 B15R2.4239 CN(C)C(=O)c1ccc2c(c1)OCO2 240690a_100102631434_100000210863 [0,1,0,1,0,0|1,0,0]=3 6318 B15R2.4239 CN(C)C(=O)c1ccc2c(c1)OCO2 527a_100102631434_100000210863 [0,1,0,1,0,0|1,0,0]=3 6319 B15R2.4509 C=C(c1ccc(c(c1)OC)O)C2CC2 271570a_100010895485_100000694246 [0,1,0,1,0,0|2,0,0]=4 6320 B15R2.2234 CCc1cc(ccc1O)C2=CCOC2 271570a_100009872500_100012338938 [0,1,0,1,0,0|2,0,0]=4 6321 B15R2.2234 CCc1cc(ccc1O)C2=COCC2 271570a_100000118173_100012338938 [0,1,0,1,0,0|2,0,0]=4 6322 B15R2.2234 COc1cc(ccc1Br)C2=CCOC2 271570a_100009872500_100012353699 [0,1,0,1,0,0|2,0,0]=4 6323 B15R2.2234 COc1cc(ccc1Br)C2=COCC2 271570a_100000118173_100012353699 [0,1,0,1,0,0|2,0,0]=4 6324 B15R2.2234 COc1cc(ccc1C)C2=CCOC2 271570a_100009872500_100011830276 [0,1,0,1,0,0|2,0,0]=4 6325 B15R2.2234 COc1cc(ccc1C)C2=COCC2 271570a_100000118173_100011830276 [0,1,0,1,0,0|2,0,0]=4 6326 B15R2.2234 COc1cc(ccc1Cl)C2=CCOC2 271570a_100009872500_100011356853 [0,1,0,1,0,0|2,0,0]=4 6327 B15R2.2234 COc1cc(ccc1Cl)C2=COCC2 271570a_100000118173_100011356853 [0,1,0,1,0,0|2,0,0]=4 6328 B15R2.2234 COc1cc(ccc1F)C2=CCOC2 271570a_100009872500_100011934186 [0,1,0,1,0,0|2,0,0]=4 6329 B15R2.2234 COc1cc(ccc1F)C2=COCC2 271570a_100000118173_100011934186 [0,1,0,1,0,0|2,0,0]=4 6330 B15R2.2234 COc1cc(ccc1N)C2=CCOC2 271570a_100009872500_100011279103 [0,1,0,1,0,0|2,0,0]=4 6331 B15R2.2234 COc1cc(ccc1N)C2=COCC2 271570a_100000118173_100011279103 [0,1,0,1,0,0|2,0,0]=4 6332 B15R2.2234 COc1cc(ccc1O)C2=CCCC2 271570a_100000089523_100000694246 [0,1,0,1,0,0|2,0,0]=4 6333 B15R2.2234 COc1cc(ccc1O)C2=CCOC2 271570a_100009872500_100000694246 [0,1,0,1,0,0|1,0,0]=3 6334 B15R2.2234 COc1cc(ccc1O)C2=COCC2 271570a_100000118173_100000694246 [0,1,0,1,0,0|1,0,0]=3 6335 B15R2.2234 COc1cc(ccc1O)c2ccco2 271570a_100000040328_100009814098 [0,1,0,1,0,0|1,0,1]=4 6336 B15R2.2234 COc1cc(ccc1O)c2ccco2 271570a_100000750936_100000694246 [0,1,0,1,0,0|1,0,1]=4 6337 B15R2.2234 COc1cc(ccc1O)c2ccoc2 271570a_100000040328_100011215275 [0,1,0,1,0,0|1,0,1]=4 6338 B15R2.2234 COc1cc(ccc1O)c2ccoc2 271570a_100011218838_100000694246 [0,1,0,1,0,0|1,0,1]=4 6339 B15R2.2234 COc1cc(ccc1O)c2cnco2 271570a_100000040328_100020591547 [0,1,0,1,0,0|1,0,1]=4 6340 B15R2.2234 COc1cc(ccc1O)c2cnoc2 271570a_100000040328_100009815712 [0,1,0,1,0,0|2,0,0]=4 6341 B15R2.2234 COc1cc(ccc1O)c2ncco2 271570a_100000040328_100011787736 [0,1,0,1,0,0|1,0,1]=4 6342 B15R2.2234 COc1nc(ccc1O)C2=CCOC2 271570a_100009872500_100010893133 [0,1,0,1,0,0|2,0,0]=4 6343 B15R2.2234 COc1nc(ccc1O)C2=COCC2 271570a_100000118173_100010893133 [0,1,0,1,0,0|2,0,0]=4 6344 B15R2.19363 CCC(=O)c1cc(c2c(c1)OCO2)Br 1458a_100000744664_100000210202 [0,1,0,1,0,0|1,0,0]=3 6345 B15R2.19363 CNC(=O)c1cc(c2c(c1)OCO2)Br 11a_106832991635_100000744664 [0,1,0,1,0,0|1,0,0]=3 6346 B15R2.19363 CNC(=O)c1cc(c2c(c1)OCO2)Br 1626a_100102657272_100000744664 [0,1,0,1,0,0|1,0,0]=3 6347 B15R2.19363 CNC(=O)c1cc(c2c(c1)OCO2)Br 240690a_100102657272_100000744664 [0,1,0,1,0,0|1,0,0]=3 6348 B15R2.19363 CNC(=O)c1cc(c2c(c1)OCO2)Br 527a_100102657272_100000744664 [0,1,0,1,0,0|1,0,0]=3 6349 B15R2.19363 COC(=O)c1cc(c2c(c1)CCO2)O 271570a_203496583355_100021627132 [0,1,0,1,0,0|1,0,0]=3 6350 B15R2.19363 COC(=O)c1cc(c2c(c1)NCC2)O 271570a_203496583355_103439830445 [0,1,0,1,0,0|2,0,0]=4 6351 B15R2.19363 O=C(CF)c1cc(c2c(c1)OCO2)Br 1458a_100000744664_100015361967 [0,1,0,1,0,0|2,0,0]=4 6352 B15R2.1601 CCC(=O)c1ccc2c(c1)CCCO2 1458a_100011398765_100000210202 [0,1,0,1,0,0|2,0,0]=4 6353 B15R2.1601 CCC(=O)c1ccc2c(c1)OCCO2 1458a_100000182659_100000210202 [0,1,0,1,0,0|1,0,0]=3 6354 B15R2.1601 CNC(=O)c1ccc2c(c1)CCCO2 11a_106832991635_100011398765 [0,1,0,1,0,0|2,0,0]=4 6355 B15R2.1601 CNC(=O)c1ccc2c(c1)CCCO2 1626a_100102657272_100011398765 [0,1,0,1,0,0|2,0,0]=4 6356 B15R2.1601 CNC(=O)c1ccc2c(c1)CCCO2 240690a_100102657272_100011398765 [0,1,0,1,0,0|2,0,0]=4 6357 B15R2.1601 CNC(=O)c1ccc2c(c1)CCCO2 527a_100102657272_100011398765 [0,1,0,1,0,0|2,0,0]=4 6358 B15R2.1601 CNC(=O)c1ccc2c(c1)OCCO2 11a_106832991635_100000182659 [0,1,0,1,0,0|1,0,0]=3 6359 B15R2.1601 CNC(=O)c1ccc2c(c1)OCCO2 1626a_100102657272_100000182659 [0,1,0,1,0,0|1,0,0]=3 6360 B15R2.1601 CNC(=O)c1ccc2c(c1)OCCO2 240690a_100102657272_100000182659 [0,1,0,1,0,0|1,0,0]=3 6361 B15R2.1601 CNC(=O)c1ccc2c(c1)OCCO2 527a_100102657272_100000182659 [0,1,0,1,0,0|1,0,0]=3 6362 B15R2.1601 O=C(CF)c1ccc2c(c1)OCCO2 1458a_100000182659_100015361967 [0,1,0,1,0,0|2,0,0]=4 6363 B15R2.11598 CCOc1cc2c(cc1C)COC2=O 7a_200010662192_100000210202 [0,1,0,1,0,0|1,0,0]=3 6364 B15R2.11598 CCOc1cc2c(cc1F)CCC2=O 34a_100000092147_100000210202 [0,1,0,1,0,0|2,0,0]=4 6365 B15R2.11598 CCOc1cc2c(cc1F)CCC2=O 7a_100000092147_100000210202 [0,1,0,1,0,0|2,0,0]=4 6366 B15R2.11598 Cc1cc2c(cc1OCF)C(=O)OC2 7a_200010662192_100015361967 [0,1,0,1,0,0|1,0,0]=3 6367 B15R2.11598 O=C1CCc2c1cc(c(c2)F)OCF 34a_100000092147_100015361967 [0,1,0,1,0,0|2,0,0]=4 6368 B15R2.11598 O=C1CCc2c1cc(c(c2)F)OCF 7a_100000092147_100015361967 [0,1,0,1,0,0|2,0,0]=4 6369 B15R2.19280 CCC(=O)c1ccc2c(c1)CC(O2)C 1458a_100000189409_100000210202 [0,1,0,1,0,0|2,0,0]=4 6370 B15R2.19280 CCC(=O)c1ccc2nc(oc2c1)C 1458a_100000688415_100000210202 [0,1,0,1,0,0|2,0,0]=4 6371 B15R2.19280 CCC(=O)c1ccc2oc(cc2c1)C 1458a_100000068196_100000210202 [0,1,0,1,0,0|2,0,0]=4 6372 B15R2.19280 CCC(=O)c1ccc2oc(nc2c1)C 1458a_100000709727_100000210202 [0,1,0,1,0,0|2,0,0]=4 6373 B15R2.19280 CNC(=O)c1ccc2c(c1)CC(O2)C 11a_106832991635_100000189409 [0,1,0,1,0,0|2,0,0]=4 6374 B15R2.19280 CNC(=O)c1ccc2c(c1)CC(O2)C 1626a_100102657272_100000189409 [0,1,0,1,0,0|2,0,0]=4 6375 B15R2.19280 CNC(=O)c1ccc2c(c1)CC(O2)C 240690a_100102657272_100000189409 [0,1,0,1,0,0|2,0,0]=4 6376 B15R2.19280 CNC(=O)c1ccc2c(c1)CC(O2)C 527a_100102657272_100000189409 [0,1,0,1,0,0|2,0,0]=4 6377 B15R2.19280 CNC(=O)c1ccc2nc(oc2c1)C 11a_106832991635_100000688415 [0,1,0,1,0,0|2,0,0]=4 6378 B15R2.19280 CNC(=O)c1ccc2nc(oc2c1)C 1626a_100102657272_100000688415 [0,1,0,1,0,0|2,0,0]=4 6379 B15R2.19280 CNC(=O)c1ccc2nc(oc2c1)C 527a_100102657272_100000688415 [0,1,0,1,0,0|2,0,0]=4 6380 B15R2.19280 CNC(=O)c1ccc2oc(cc2c1)C 11a_106832991635_100000068196 [0,1,0,1,0,0|2,0,0]=4 6381 B15R2.19280 CNC(=O)c1ccc2oc(cc2c1)C 1626a_100102657272_100000068196 [0,1,0,1,0,0|2,0,0]=4 6382 B15R2.19280 CNC(=O)c1ccc2oc(cc2c1)C 240690a_100102657272_100000068196 [0,1,0,1,0,0|2,0,0]=4 6383 B15R2.19280 CNC(=O)c1ccc2oc(cc2c1)C 527a_100102657272_100000068196 [0,1,0,1,0,0|2,0,0]=4 6384 B15R2.19280 CNC(=O)c1ccc2oc(nc2c1)C 11a_106832991635_100000709727 [0,1,0,1,0,0|2,0,0]=4 6385 B15R2.19280 CNC(=O)c1ccc2oc(nc2c1)C 1626a_100102657272_100000709727 [0,1,0,1,0,0|2,0,0]=4 6386 B15R2.19280 CNC(=O)c1ccc2oc(nc2c1)C 527a_100102657272_100000709727 [0,1,0,1,0,0|2,0,0]=4 6387 B15R2.19280 COC(=O)c1ccc2c(c1)CN(C2)C 2230a_100000752899_200000210301 [0,1,0,1,0,0|2,0,0]=4 6388 B15R2.19280 COC(=O)c1ccc2c(c1)CN(C2)C 269982a_100000752899_200000210301 [0,1,0,1,0,0|2,0,0]=4 6389 B15R2.19280 COC(=O)c1ccc2c(c1)CN(C2)C 34a_100000752899_200000210301 [0,1,0,1,0,0|2,0,0]=4 6390 B15R2.19280 COC(=O)c1ccc2c(c1)CN(C2)[13CH3] 2230a_100000752899_200025704644 [0,1,0,1,0,0|2,0,0]=4 6391 B15R2.19280 COC(=O)c1ccc2c(c1)CN(C2)[13CH3] 269982a_100000752899_200025704644 [0,1,0,1,0,0|2,0,0]=4 6392 B15R2.19280 COC(=O)c1ccc2c(c1)CN(C2)[13CH3] 34a_100000752899_200025704644 [0,1,0,1,0,0|2,0,0]=4 6393 B15R2.19329 COC(=O)c1ccc(c2c1[nH]cc2)O 271570a_203496583355_100102524964 [0,1,0,1,0,0|1,0,1]=4 6394 B15R2.19329 COC(=O)c1ccc(c2c1[nH]nc2)O 271570a_203496583355_100010762500 [0,1,0,1,0,0|2,0,0]=4 6395 B15R2.19459 COC(=O)c1ccc(c(c1)C2CC2)Br 271570a_100011220607_100012349818 [0,1,0,1,0,0|2,0,0]=4 6396 B15R2.19459 COC(=O)c1ccc(c(c1)C2CC2)C 271570a_100011220607_100011218856 [0,1,0,1,0,0|2,0,0]=4 6397 B15R2.19459 COC(=O)c1ccc(c(c1)C2CC2)Cl 271570a_100011220607_100011294800 [0,1,0,1,0,0|2,0,0]=4 6398 B15R2.19459 COC(=O)c1ccc(c(c1)C2CC2)F 271570a_100011220607_100000722584 [0,1,0,1,0,0|2,0,0]=4 6399 B15R2.19459 COC(=O)c1ccc(c(c1)C2CC2)N 271570a_100011220607_100000187552 [0,1,0,1,0,0|2,0,0]=4 6400 B15R2.19459 COC(=O)c1ccc(c(c1)C2CC2)O 271570a_100011220607_100000216328 [0,1,0,1,0,0|1,0,0]=3 6401 B15R2.19459 COC(=O)c1ccc(c(n1)C2CC2)O 271570a_100011220607_200009815348 [0,1,0,1,0,0|2,0,0]=4 6402 B15R2.19459 COC(=O)c1cnc(c(c1)C2CC2)O 271570a_100011220607_100010109663 [0,1,0,1,0,0|2,0,0]=4 6403 B15R2.53411 CCOc1c(ccc2c1CCC2=O)C 34a_100009867297_100000210202 [0,1,0,1,0,0|2,0,0]=4 6404 B15R2.53411 CCOc1c(ccc2c1CCC2=O)C 7a_100009867297_100000210202 [0,1,0,1,0,0|2,0,0]=4 6405 B15R2.53411 Cc1ccc2c(c1OCF)CCC2=O 34a_100009867297_100015361967 [0,1,0,1,0,0|2,0,0]=4 6406 B15R2.53411 Cc1ccc2c(c1OCF)CCC2=O 7a_100009867297_100015361967 [0,1,0,1,0,0|2,0,0]=4 6407 B15R2.1350 C#CCC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100000184674 [0,1,0,1,0,0|1,0,1]=4 6408 B15R2.1350 C=CCC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100000210623 [0,1,0,1,0,0|1,0,1]=4 6409 B15R2.1350 CC(OCF)c1ccc2c(c1)OCO2 34a_100000741967_100015361967 [0,1,0,1,0,0|1,0,1]=4 6410 B15R2.1350 CC(OCF)c1ccc2c(c1)OCO2 7a_100000741967_100015361967 [0,1,0,1,0,0|1,0,1]=4 6411 B15R2.1350 CCCC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_100000210303 [0,1,0,1,0,0|2,0,0]=4 6412 B15R2.1350 CCCC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100000210303 [0,1,0,1,0,0|1,0,0]=3 6413 B15R2.1350 CCNC(=O)c1ccc2c(c1)CCO2 11a_100015525214_100011207309 [0,1,0,1,0,0|2,0,0]=4 6414 B15R2.1350 CCNC(=O)c1ccc2c(c1)CCO2 240690a_100015525214_100011207309 [0,1,0,1,0,0|2,0,0]=4 6415 B15R2.1350 CCNC(=O)c1ccc2c(c1)CCO2 527a_100015525214_100011207309 [0,1,0,1,0,0|2,0,0]=4 6416 B15R2.1350 CCNC(=O)c1ccc2c(c1)OCO2 11a_100015525214_100000210863 [0,1,0,1,0,0|1,0,0]=3 6417 B15R2.1350 CCNC(=O)c1ccc2c(c1)OCO2 240690a_100015525214_100000210863 [0,1,0,1,0,0|1,0,0]=3 6418 B15R2.1350 CCNC(=O)c1ccc2c(c1)OCO2 527a_100015525214_100000210863 [0,1,0,1,0,0|1,0,0]=3 6419 B15R2.1350 CCOC(C)c1ccc2c(c1)OCO2 34a_100000741967_100000210202 [0,1,0,1,0,0|1,0,1]=4 6420 B15R2.1350 CCOC(C)c1ccc2c(c1)OCO2 7a_100000741967_100000210202 [0,1,0,1,0,0|1,0,1]=4 6421 B15R2.1350 CNCC(=O)c1ccc2c(c1)CCO2 2230a_106832991635_100000241338 [0,1,0,1,0,0|2,0,0]=4 6422 B15R2.1350 CNCC(=O)c1ccc2c(c1)CCO2 34a_100102657272_100000241338 [0,1,0,1,0,0|2,0,0]=4 6423 B15R2.1350 CNCC(=O)c1ccc2c(c1)CCO2 7a_106832991635_100000241338 [0,1,0,1,0,0|2,0,0]=4 6424 B15R2.1350 CNCC(=O)c1ccc2c(c1)OCO2 7a_106832991635_100000181162 [0,1,0,1,0,0|1,0,0]=3 6425 B15R2.1350 CNNC(=O)c1ccc2c(c1)CCO2 22a_100016993582_100011207309 [0,1,0,1,0,0|2,0,0]=4 6426 B15R2.1350 CNNC(=O)c1ccc2c(c1)OCO2 22a_100016993582_100000210863 [0,1,0,1,0,0|1,0,0]=3 6427 B15R2.1350 COCC(=O)c1ccc2c(c1)CCO2 34a_100138415774_100000241338 [0,1,0,1,0,0|1,0,0]=3 6428 B15R2.1350 CSCC(=O)c1ccc2c(c1)CCO2 62a_100000241338_200000210301 [0,1,0,1,0,0|1,1,0]=4 6429 B15R2.1350 CSCC(=O)c1ccc2c(c1)CCO2 62a_200000210301_100000241338 [0,1,0,1,0,0|1,1,0]=4 6430 B15R2.1350 CSCC(=O)c1ccc2c(c1)OCO2 62a_100000181162_200000210301 [0,1,0,1,0,0|0,1,0]=3 6431 B15R2.1350 N#CCC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100011214920 [0,1,0,1,0,0|1,0,1]=4 6432 B15R2.1350 O=C(CCF)c1ccc2c(c1)CCO2 1458a_100011207309_100011217306 [0,1,0,1,0,0|2,0,0]=4 6433 B15R2.1350 O=C(CCF)c1ccc2c(c1)OCO2 1458a_100000210863_100011217306 [0,1,0,1,0,0|1,0,0]=3 6434 B15R2.1350 O=C(CCO)c1ccc2c(c1)CCO2 1458a_100011207309_100000211926 [0,1,0,1,0,0|2,0,0]=4 6435 B15R2.1350 O=C(CCO)c1ccc2c(c1)OCO2 1458a_100000210863_100000211926 [0,1,0,1,0,0|1,0,0]=3 6436 B15R2.1350 [13CH3]SCC(=O)c1ccc2c(c1)CCO2 62a_100000241338_200025704644 [0,1,0,1,0,0|1,1,0]=4 6437 B15R2.1350 [13CH3]SCC(=O)c1ccc2c(c1)CCO2 62a_200025704644_100000241338 [0,1,0,1,0,0|1,1,0]=4 6438 B15R2.1350 [13CH3]SCC(=O)c1ccc2c(c1)OCO2 62a_100000181162_200025704644 [0,1,0,1,0,0|0,1,0]=3 6439 B15R2.5778 COc1c(ccc2c1CCCC2=O)C 34a_100009872817_200000210301 [0,1,0,1,0,0|2,0,0]=4 6440 B15R2.5778 COc1c(ccc2c1CCCC2=O)C 7a_100009872817_200000210301 [0,1,0,1,0,0|2,0,0]=4 6441 B15R2.5778 Cc1ccc2c(c1O[13CH3])CCCC2=O 34a_100009872817_200025704644 [0,1,0,1,0,0|2,0,0]=4 6442 B15R2.5778 Cc1ccc2c(c1O[13CH3])CCCC2=O 7a_100009872817_200025704644 [0,1,0,1,0,0|2,0,0]=4 6443 B15R2.19098 CCC(=O)c1ccc2onc(c2c1)C 1458a_200010977551_100000210202 [0,1,0,1,0,0|2,0,0]=4 6444 B15R2.19098 CNC(=O)c1ccc2onc(c2c1)C 11a_106832991635_200010977551 [0,1,0,1,0,0|2,0,0]=4 6445 B15R2.19098 CNC(=O)c1ccc2onc(c2c1)C 1626a_100102657272_200010977551 [0,1,0,1,0,0|2,0,0]=4 6446 B15R2.19098 CNC(=O)c1ccc2onc(c2c1)C 240690a_100102657272_200010977551 [0,1,0,1,0,0|2,0,0]=4 6447 B15R2.19098 CNC(=O)c1ccc2onc(c2c1)C 527a_100102657272_200010977551 [0,1,0,1,0,0|2,0,0]=4 6448 B15R2.21574 C=Cc1cc2c(cc1OC)C(=O)CC2 271570a_100011290941_100010233615 [0,1,0,1,0,0|2,0,0]=4 6449 B15R2.21574 COc1cc2c(cc1SC)C(=O)CC2 62a_200000210301_200010010916 [0,1,0,1,0,0|1,1,0]=4 6450 B15R2.21574 COc1cc2c(cc1SC)C(=O)CC2 62a_200010010916_200000210301 [0,1,0,1,0,0|1,1,0]=4 6451 B15R2.21574 COc1cc2c(cc1SC)CCC2=O 62a_100010233615_200000210301 [0,1,0,1,0,0|1,1,0]=4 6452 B15R2.21574 COc1cc2c(cc1SC)CCC2=O 62a_200000210301_100010233615 [0,1,0,1,0,0|1,1,0]=4 6453 B15R2.21574 COc1cc2c(cc1S[13CH3])C(=O)CC2 62a_200010010916_200025704644 [0,1,0,1,0,0|1,1,0]=4 6454 B15R2.21574 COc1cc2c(cc1S[13CH3])C(=O)CC2 62a_200025704644_200010010916 [0,1,0,1,0,0|1,1,0]=4 6455 B15R2.21574 COc1cc2c(cc1S[13CH3])CCC2=O 62a_100010233615_200025704644 [0,1,0,1,0,0|1,1,0]=4 6456 B15R2.21574 COc1cc2c(cc1S[13CH3])CCC2=O 62a_200025704644_100010233615 [0,1,0,1,0,0|1,1,0]=4 6457 B15R2.22325 COc1ccc2c(c1SC)CCC2=O 62a_100010212354_200000210301 [0,1,0,1,0,0|1,1,0]=4 6458 B15R2.22325 COc1ccc2c(c1SC)CCC2=O 62a_200000210301_100010212354 [0,1,0,1,0,0|1,1,0]=4 6459 B15R2.22325 COc1ccc2c(c1S[13CH3])CCC2=O 62a_100010212354_200025704644 [0,1,0,1,0,0|1,1,0]=4 6460 B15R2.22325 COc1ccc2c(c1S[13CH3])CCC2=O 62a_200025704644_100010212354 [0,1,0,1,0,0|1,1,0]=4 6461 B15R2.79412 COC(=O)c1ccc2c(c[nH]c2c1)O 271570a_203496583355_100010236148 [0,1,0,1,0,0|1,0,1]=4 6462 B15R2.79412 COC(=O)c1ccc2c(n[nH]c2c1)O 271570a_203496583355_100010186053 [0,1,0,1,0,0|2,0,0]=4 6463 B15R2.19053 CCC(=O)c1cc2c(cc1Br)OCO2 1458a_100012339479_100000210202 [0,1,0,1,0,0|1,0,0]=3 6464 B15R2.19053 CNC(=O)c1cc2c(cc1Br)OCO2 11a_106832991635_100012339479 [0,1,0,1,0,0|1,0,0]=3 6465 B15R2.19053 CNC(=O)c1cc2c(cc1Br)OCO2 1626a_100102657272_100012339479 [0,1,0,1,0,0|1,0,0]=3 6466 B15R2.19053 CNC(=O)c1cc2c(cc1Br)OCO2 240690a_100102657272_100012339479 [0,1,0,1,0,0|1,0,0]=3 6467 B15R2.19053 CNC(=O)c1cc2c(cc1Br)OCO2 527a_100102657272_100012339479 [0,1,0,1,0,0|1,0,0]=3 6468 B15R2.19053 COC(=O)c1cc2c(cc1O)OCO2 271570a_203496583355_100010164243 [0,1,0,1,0,0|0,0,0]=2 6469 B15R2.19053 O=C(CF)c1cc2c(cc1Br)OCO2 1458a_100012339479_100015361967 [0,1,0,1,0,0|2,0,0]=4 6470 B15R2.902 CNS(=O)(=O)c1ccc2c(c1)OCO2 270084a_100102657272_100000759609 [0,1,0,1,0,0|2,0,0]=4 6471 B15R2.902 CNS(=O)(=O)c1ccc2c(c1)OCO2 274078a_100102657272_100000759609 [0,1,0,1,0,0|2,0,0]=4 6472 B15R2.1586 CCC(=O)c1ccc2c(c1C)OCO2 1458a_100009908537_100000210202 [0,1,0,1,0,0|1,0,0]=3 6473 B15R2.1586 CNC(=O)c1ccc2c(c1C)OCO2 11a_106832991635_100009908537 [0,1,0,1,0,0|1,0,0]=3 6474 B15R2.1586 CNC(=O)c1ccc2c(c1C)OCO2 1626a_100102657272_100009908537 [0,1,0,1,0,0|1,0,0]=3 6475 B15R2.1586 CNC(=O)c1ccc2c(c1C)OCO2 240690a_100102657272_100009908537 [0,1,0,1,0,0|1,0,0]=3 6476 B15R2.1586 CNC(=O)c1ccc2c(c1C)OCO2 527a_100102657272_100009908537 [0,1,0,1,0,0|1,0,0]=3 6477 B15R2.1586 Cc1c(ccc2c1OCO2)C(=O)CF 1458a_100009908537_100015361967 [0,1,0,1,0,0|2,0,0]=4 6478 B11R1.226 COC(=O)c1cc(c(s1)O)C 271570a_203496583355_100011219469 [1,0,0,0,1,0|1,0,0]=3 6479 B11R1.226 COC(=O)c1cc(c(s1)O)N 271570a_203496583355_200010749435 [1,0,0,0,1,0|2,0,0]=4 6480 B11R1.226 COC(=O)c1cc(n(n1)C)O 271570a_203496583355_100010367948 [1,0,0,0,1,0|2,0,0]=4 6481 B11R1.865 COC(=O)c1ccc(n1C)O 271570a_203496583355_100010124797 [1,0,0,0,1,0|1,0,0]=3 6482 B11R1.865 COC(=O)c1cnc(n1C)O 271570a_203496583355_100009816624 [1,0,0,0,1,0|2,0,0]=4 6483 B11R1.865 COC(=O)c1scc(c1C)O 271570a_203496583355_100010184805 [1,0,0,0,1,0|1,0,0]=3 6484 B11R1.865 COC(=O)c1scc(c1N)O 271570a_203496583355_100010201200 [1,0,0,0,1,0|2,0,0]=4 6485 B11R1.865 COC(=O)c1scc(c1O)C 271570a_203496583355_100000716566 [1,0,0,0,1,0|2,0,0]=4 6486 B11R1.865 COC(=O)c1scc(c1O)O 271570a_203496583355_100009812821 [1,0,0,0,1,0|1,0,0]=3 6487 B11R1.44 COC(=O)c1c[nH]c(c1)SC 62a_100009840242_200000210301 [1,0,0,0,1,0|1,1,0]=4 6488 B11R1.44 COC(=O)c1c[nH]c(c1)SC 62a_200000210301_100009840242 [1,0,0,0,1,0|1,1,0]=4 6489 B11R1.44 COC(=O)c1c[nH]c(c1)S[13CH3] 62a_100009840242_200025704644 [1,0,0,0,1,0|1,1,0]=4 6490 B11R1.44 COC(=O)c1c[nH]c(c1)S[13CH3] 62a_200025704644_100009840242 [1,0,0,0,1,0|1,1,0]=4 6491 B11R1.44 COC(=O)c1cc(c[nH]1)SC 62a_200000210301_100000205823 [1,0,0,0,1,0|1,1,0]=4 6492 B11R1.44 COC(=O)c1cc(c[nH]1)S[13CH3] 62a_200025704644_100000205823 [1,0,0,0,1,0|1,1,0]=4 6493 B11R1.44 COC(=O)c1cc(co1)SC 62a_200000210301_100009992624 [1,0,0,0,1,0|1,1,0]=4 6494 B11R1.44 COC(=O)c1cc(co1)S[13CH3] 62a_200025704644_100009992624 [1,0,0,0,1,0|1,1,0]=4 6495 B11R1.44 COC(=O)c1cc(cs1)SC 62a_100009815473_200000210301 [1,0,0,0,1,0|1,1,0]=4 6496 B11R1.44 COC(=O)c1cc(cs1)SC 62a_200000210301_100009815473 [1,0,0,0,1,0|1,1,0]=4 6497 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_100009815473_200025704644 [1,0,0,0,1,0|1,1,0]=4 6498 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100009815473 [1,0,0,0,1,0|1,1,0]=4 6499 B11R1.44 COC(=O)c1ccc([nH]1)SC 62a_200000210301_100000687774 [1,0,0,0,1,0|1,1,0]=4 6500 B11R1.44 COC(=O)c1ccc([nH]1)S[13CH3] 62a_200025704644_100000687774 [1,0,0,0,1,0|1,1,0]=4 6501 B11R1.44 COC(=O)c1ccc(o1)SC 62a_200000210301_100000148852 [1,0,0,0,1,0|1,1,0]=4 6502 B11R1.44 COC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000148852 [1,0,0,0,1,0|1,1,0]=4 6503 B11R1.44 COC(=O)c1ccc(s1)SC 62a_100000148107_200000210301 [1,0,0,0,1,0|1,1,0]=4 6504 B11R1.44 COC(=O)c1ccc(s1)SC 62a_200000210301_100000148107 [1,0,0,0,1,0|1,1,0]=4 6505 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_100000148107_200025704644 [1,0,0,0,1,0|1,1,0]=4 6506 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_100000148107 [1,0,0,0,1,0|1,1,0]=4 6507 B11R1.44 COC(=O)c1csc(c1)SC 62a_100000692058_200000210301 [1,0,0,0,1,0|1,1,0]=4 6508 B11R1.44 COC(=O)c1csc(c1)SC 62a_200000210301_100000692058 [1,0,0,0,1,0|1,1,0]=4 6509 B11R1.44 COC(=O)c1csc(c1)S[13CH3] 62a_100000692058_200025704644 [1,0,0,0,1,0|1,1,0]=4 6510 B11R1.44 COC(=O)c1csc(c1)S[13CH3] 62a_200025704644_100000692058 [1,0,0,0,1,0|1,1,0]=4 6511 B11R1.59 COC(=O)c1[nH]ccc1OC 34a_100000131702_200000210301 [1,0,0,0,1,0|1,0,0]=3 6512 B11R1.59 COC(=O)c1[nH]ccc1O[13CH3] 34a_100000131702_200025704644 [1,0,0,0,1,0|1,0,0]=3 6513 B11R1.59 COC(=O)c1[nH]ccc1SC 62a_200000210301_100102525103 [1,0,0,0,1,0|1,1,0]=4 6514 B11R1.59 COC(=O)c1[nH]ccc1S[13CH3] 62a_200025704644_100102525103 [1,0,0,0,1,0|1,1,0]=4 6515 B11R1.59 COC(=O)c1ccoc1SC 62a_200000210301_100011935261 [1,0,0,0,1,0|1,1,0]=4 6516 B11R1.59 COC(=O)c1ccoc1S[13CH3] 62a_200025704644_100011935261 [1,0,0,0,1,0|1,1,0]=4 6517 B11R1.59 COC(=O)c1ccsc1SC 62a_100009822520_200000210301 [1,0,0,0,1,0|1,1,0]=4 6518 B11R1.59 COC(=O)c1ccsc1SC 62a_200000210301_100009822520 [1,0,0,0,1,0|1,1,0]=4 6519 B11R1.59 COC(=O)c1ccsc1S[13CH3] 62a_100009822520_200025704644 [1,0,0,0,1,0|1,1,0]=4 6520 B11R1.59 COC(=O)c1ccsc1S[13CH3] 62a_200025704644_100009822520 [1,0,0,0,1,0|1,1,0]=4 6521 B11R1.59 COC(=O)c1cscc1SC 62a_100012351140_200000210301 [1,0,0,0,1,0|1,1,0]=4 6522 B11R1.59 COC(=O)c1cscc1SC 62a_200000210301_100012351140 [1,0,0,0,1,0|1,1,0]=4 6523 B11R1.59 COC(=O)c1cscc1S[13CH3] 62a_100012351140_200025704644 [1,0,0,0,1,0|1,1,0]=4 6524 B11R1.59 COC(=O)c1cscc1S[13CH3] 62a_200025704644_100012351140 [1,0,0,0,1,0|1,1,0]=4 6525 B11R1.59 COC(=O)c1occc1SC 62a_200000210301_100012676306 [1,0,0,0,1,0|1,1,0]=4 6526 B11R1.59 COC(=O)c1occc1S[13CH3] 62a_200025704644_100012676306 [1,0,0,0,1,0|1,1,0]=4 6527 B11R1.59 COC(=O)c1sccc1OC 7a_100000043449_200000210301 [1,0,0,0,1,0|1,0,0]=3 6528 B11R1.59 COC(=O)c1sccc1O[13CH3] 7a_100000043449_200025704644 [1,0,0,0,1,0|1,0,0]=3 6529 B11R1.59 COC(=O)c1sccc1SC 62a_200000210301_100000730364 [1,0,0,0,1,0|1,1,0]=4 6530 B11R1.59 COC(=O)c1sccc1S[13CH3] 62a_200025704644_100000730364 [1,0,0,0,1,0|1,1,0]=4 6531 B13R1.81 C#CC(=O)Cc1cccc(c1)OC 1458a_100000211873_100000211672 [1,0,0,0,0,1|1,0,1]=4 6532 B13R1.81 C=CC(=O)Cc1cccc(c1)OC 1458a_100000185746_100000211672 [1,0,0,0,0,1|1,0,1]=4 6533 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 1626a_100000210024_100000185746 [1,0,0,0,0,1|1,0,1]=4 6534 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 22a_100000210024_100000185746 [1,0,0,0,0,1|1,0,1]=4 6535 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 34a_100011235909_200000210301 [1,0,0,0,0,1|1,0,1]=4 6536 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 7a_100011235909_200000210301 [1,0,0,0,0,1|1,0,1]=4 6537 B13R1.81 C=CC(=O)Nc1cccc(c1)O[13CH3] 34a_100011235909_200025704644 [1,0,0,0,0,1|1,0,1]=4 6538 B13R1.81 C=CC(=O)Nc1cccc(c1)O[13CH3] 7a_100011235909_200025704644 [1,0,0,0,0,1|1,0,1]=4 6539 B13R1.81 C=Cc1cccc(c1)CC(=O)OC 271570a_100011290941_100000699549 [1,0,0,0,0,1|1,0,1]=4 6540 B13R1.81 CCC(=O)Cc1cc(ccn1)OC 1458a_100000210414_100000752681 [1,0,0,0,0,1|2,0,0]=4 6541 B13R1.81 CCC(=O)Cc1cccc(c1)OC 1458a_100000210414_100000211672 [1,0,0,0,0,1|1,0,0]=3 6542 B13R1.81 CCC(=O)Cc1cccc(c1)OC 1458a_100000211281_100000210202 [1,0,0,0,0,1|1,0,0]=3 6543 B13R1.81 CCC(=O)Cc1cccc(c1)SC 1458a_100000035702_100000210202 [1,0,0,0,0,1|1,1,0]=4 6544 B13R1.81 CCC(=O)Cc1cccc(n1)OC 1458a_100000210414_100000755263 [1,0,0,0,0,1|2,0,0]=4 6545 B13R1.81 CCC(=O)Cc1ccnc(c1)OC 1458a_100000210414_100103152439 [1,0,0,0,0,1|2,0,0]=4 6546 B13R1.81 CCC(=O)Cc1ccnc(c1)OC 1458a_100000718155_100000210202 [1,0,0,0,0,1|2,0,0]=4 6547 B13R1.81 CCC(=O)Nc1cccc(c1)CC 11a_100000211250_100000210414 [1,0,0,0,0,1|2,0,0]=4 6548 B13R1.81 CCC(=O)Nc1cccc(c1)CC 1626a_100000211250_100000210414 [1,0,0,0,0,1|2,0,0]=4 6549 B13R1.81 CCC(=O)Nc1cccc(c1)CC 22a_100000211250_100000210414 [1,0,0,0,0,1|2,0,0]=4 6550 B13R1.81 CCC(=O)Nc1cccc(c1)CC 527a_100000211250_100000210414 [1,0,0,0,0,1|2,0,0]=4 6551 B13R1.81 CCC(=O)Nc1cccc(c1)NC 34a_100000186510_200000210301 [1,0,0,0,0,1|2,0,0]=4 6552 B13R1.81 CCC(=O)Nc1cccc(c1)N[13CH3] 34a_100000186510_200025704644 [1,0,0,0,0,1|2,0,0]=4 6553 B13R1.81 CCC(=O)Nc1cccc(c1)OC 11a_100000210024_100000210414 [1,0,0,0,0,1|1,0,0]=3 6554 B13R1.81 CCC(=O)Nc1cccc(c1)OC 1626a_100000210024_100000210414 [1,0,0,0,0,1|1,0,0]=3 6555 B13R1.81 CCC(=O)Nc1cccc(c1)OC 22a_100000210024_100000210414 [1,0,0,0,0,1|1,0,0]=3 6556 B13R1.81 CCC(=O)Nc1cccc(c1)OC 34a_100000158609_200000210301 [1,0,0,0,0,1|1,0,0]=3 6557 B13R1.81 CCC(=O)Nc1cccc(c1)OC 527a_100000210024_100000210414 [1,0,0,0,0,1|1,0,0]=3 6558 B13R1.81 CCC(=O)Nc1cccc(c1)OC 7a_100000158609_200000210301 [1,0,0,0,0,1|1,0,0]=3 6559 B13R1.81 CCC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158609_200025704644 [1,0,0,0,0,1|1,0,0]=3 6560 B13R1.81 CCC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158609_200025704644 [1,0,0,0,0,1|1,0,0]=3 6561 B13R1.81 CCC(=O)Nc1cccc(c1)SC 11a_100000210049_100000210414 [1,0,0,0,0,1|1,1,0]=4 6562 B13R1.81 CCC(=O)Nc1cccc(c1)SC 1626a_100000210049_100000210414 [1,0,0,0,0,1|1,1,0]=4 6563 B13R1.81 CCC(=O)Nc1cccc(c1)SC 22a_100000210049_100000210414 [1,0,0,0,0,1|1,1,0]=4 6564 B13R1.81 CCC(=O)Nc1cccc(c1)SC 527a_100000210049_100000210414 [1,0,0,0,0,1|1,1,0]=4 6565 B13R1.81 CCc1cccc(c1)NC(=O)NC 2430a_100000211250_100102657272 [1,0,0,0,0,1|2,0,0]=4 6566 B13R1.81 CCc1cccc(c1)NC(=O)NC 512a_100000211250_100102657272 [1,0,0,0,0,1|2,0,0]=4 6567 B13R1.81 CNC(=O)Cc1cccc(c1)NC 2230a_100011690097_200000210301 [1,0,0,0,0,1|2,0,0]=4 6568 B13R1.81 CNC(=O)Cc1cccc(c1)NC 34a_100011690097_200000210301 [1,0,0,0,0,1|2,0,0]=4 6569 B13R1.81 CNC(=O)Cc1cccc(c1)N[13CH3] 2230a_100011690097_200025704644 [1,0,0,0,0,1|2,0,0]=4 6570 B13R1.81 CNC(=O)Cc1cccc(c1)N[13CH3] 34a_100011690097_200025704644 [1,0,0,0,0,1|2,0,0]=4 6571 B13R1.81 CNC(=O)Cc1cccc(c1)OC 11a_106832991635_100000211281 [1,0,0,0,0,1|1,0,0]=3 6572 B13R1.81 CNC(=O)Cc1cccc(c1)OC 1626a_100102657272_100000211281 [1,0,0,0,0,1|1,0,0]=3 6573 B13R1.81 CNC(=O)Cc1cccc(c1)OC 240690a_100102657272_100000211281 [1,0,0,0,0,1|1,0,0]=3 6574 B13R1.81 CNC(=O)Cc1cccc(c1)OC 527a_100102657272_100000211281 [1,0,0,0,0,1|1,0,0]=3 6575 B13R1.81 CNC(=O)Cc1cccc(c1)SC 11a_106832991635_100000035702 [1,0,0,0,0,1|1,1,0]=4 6576 B13R1.81 CNC(=O)Cc1cccc(c1)SC 1626a_100102657272_100000035702 [1,0,0,0,0,1|1,1,0]=4 6577 B13R1.81 CNC(=O)Cc1cccc(c1)SC 240690a_100102657272_100000035702 [1,0,0,0,0,1|1,1,0]=4 6578 B13R1.81 CNC(=O)Cc1cccc(c1)SC 527a_100102657272_100000035702 [1,0,0,0,0,1|1,1,0]=4 6579 B13R1.81 CNC(=O)Cc1ccnc(c1)OC 11a_106832991635_100000718155 [1,0,0,0,0,1|2,0,0]=4 6580 B13R1.81 CNC(=O)Cc1ccnc(c1)OC 240690a_100102657272_100000718155 [1,0,0,0,0,1|2,0,0]=4 6581 B13R1.81 CNC(=O)Nc1cccc(c1)OC 2430a_100000210024_100102657272 [1,0,0,0,0,1|1,0,0]=3 6582 B13R1.81 CNC(=O)Nc1cccc(c1)OC 512a_100000210024_100102657272 [1,0,0,0,0,1|1,0,0]=3 6583 B13R1.81 CNC(=O)Nc1cccc(c1)SC 2430a_100000210049_100102657272 [1,0,0,0,0,1|1,1,0]=4 6584 B13R1.81 CNC(=O)Nc1cccc(c1)SC 512a_100000210049_100102657272 [1,0,0,0,0,1|1,1,0]=4 6585 B13R1.81 COC(=O)Cc1cc(ccn1)SC 62a_100010275543_200000210301 [1,0,0,0,0,1|1,1,0]=4 6586 B13R1.81 COC(=O)Cc1cc(ccn1)SC 62a_200000210301_100010275543 [1,0,0,0,0,1|1,1,0]=4 6587 B13R1.81 COC(=O)Cc1cc(ccn1)S[13CH3] 62a_100010275543_200025704644 [1,0,0,0,0,1|1,1,0]=4 6588 B13R1.81 COC(=O)Cc1cc(ccn1)S[13CH3] 62a_200025704644_100010275543 [1,0,0,0,0,1|1,1,0]=4 6589 B13R1.81 COC(=O)Cc1cccc(c1)SC 62a_100000699549_200000210301 [1,0,0,0,0,1|0,1,0]=3 6590 B13R1.81 COC(=O)Cc1cccc(c1)SC 62a_200000210301_100000699549 [1,0,0,0,0,1|0,1,0]=3 6591 B13R1.81 COC(=O)Cc1cccc(c1)S[13CH3] 62a_100000699549_200025704644 [1,0,0,0,0,1|0,1,0]=3 6592 B13R1.81 COC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000699549 [1,0,0,0,0,1|0,1,0]=3 6593 B13R1.81 COC(=O)Cc1cccc(n1)SC 62a_100000094215_200000210301 [1,0,0,0,0,1|1,1,0]=4 6594 B13R1.81 COC(=O)Cc1cccc(n1)SC 62a_200000210301_100000094215 [1,0,0,0,0,1|1,1,0]=4 6595 B13R1.81 COC(=O)Cc1cccc(n1)S[13CH3] 62a_100000094215_200025704644 [1,0,0,0,0,1|1,1,0]=4 6596 B13R1.81 COC(=O)Cc1cccc(n1)S[13CH3] 62a_200025704644_100000094215 [1,0,0,0,0,1|1,1,0]=4 6597 B13R1.81 COC(=O)Cc1ccnc(c1)SC 62a_100010135589_200000210301 [1,0,0,0,0,1|1,1,0]=4 6598 B13R1.81 COC(=O)Cc1ccnc(c1)SC 62a_200000210301_100010135589 [1,0,0,0,0,1|1,1,0]=4 6599 B13R1.81 COC(=O)Cc1ccnc(c1)S[13CH3] 62a_100010135589_200025704644 [1,0,0,0,0,1|1,1,0]=4 6600 B13R1.81 COC(=O)Cc1ccnc(c1)S[13CH3] 62a_200025704644_100010135589 [1,0,0,0,0,1|1,1,0]=4 6601 B13R1.81 COC(=O)Nc1cccc(c1)OC 34a_100000741004_200000210301 [1,0,0,0,0,1|0,0,0]=2 6602 B13R1.81 COC(=O)Nc1cccc(c1)OC 7a_100000741004_200000210301 [1,0,0,0,0,1|0,0,0]=2 6603 B13R1.81 COC(=O)Nc1cccc(c1)O[13CH3] 34a_100000741004_200025704644 [1,0,0,0,0,1|0,0,0]=2 6604 B13R1.81 COC(=O)Nc1cccc(c1)O[13CH3] 7a_100000741004_200025704644 [1,0,0,0,0,1|0,0,0]=2 6605 B13R1.81 COc1cccc(c1)CC(=O)CF 1458a_100000211281_100015361967 [1,0,0,0,0,1|2,0,0]=4 6606 B13R1.81 COc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211672 [1,0,0,0,0,1|2,0,0]=4 6607 B13R1.81 COc1cccc(c1)CC(=O)NN 34a_100011472680_200000210301 [1,0,0,0,0,1|2,0,0]=4 6608 B13R1.81 COc1cccc(c1)NC(=O)CCl 34a_100011236192_200000210301 [1,0,0,0,0,1|2,0,0]=4 6609 B13R1.81 COc1cccc(c1)NC(=O)CCl 7a_100011236192_200000210301 [1,0,0,0,0,1|2,0,0]=4 6610 B13R1.81 COc1cccc(c1)NC(=O)CO 22a_100000210024_100000210174 [1,0,0,0,0,1|2,0,0]=4 6611 B13R1.81 COc1cccc(c1)NC(=O)CO 527a_100000210024_100000210174 [1,0,0,0,0,1|2,0,0]=4 6612 B13R1.81 COc1cccc(c1)SC(C)OC 62a_100009879195_100000170001 [1,0,0,0,0,1|1,0,1]=4 6613 B13R1.81 [13CH3]Oc1cccc(c1)CC(=O)NN 34a_100011472680_200025704644 [1,0,0,0,0,1|2,0,0]=4 6614 B13R1.81 [13CH3]Oc1cccc(c1)NC(=O)CCl 34a_100011236192_200025704644 [1,0,0,0,0,1|2,0,0]=4 6615 B13R1.81 [13CH3]Oc1cccc(c1)NC(=O)CCl 7a_100011236192_200025704644 [1,0,0,0,0,1|2,0,0]=4 6616 B13R1.107 C=Cc1c(cccc1C(=O)OC)O 271570a_100011290941_200010230364 [0,0,0,0,1,1|1,0,1]=4 6617 B13R1.107 CCC(=O)c1cccc(c1OC)Br 1458a_100000689802_100000210202 [0,0,0,0,1,1|2,0,0]=4 6618 B13R1.107 CCC(=O)c1cccc(c1OC)C 1458a_100000187929_100000210202 [0,0,0,0,1,1|2,0,0]=4 6619 B13R1.107 CCC(=O)c1cccc(c1OC)Cl 1458a_100011934004_100000210202 [0,0,0,0,1,1|2,0,0]=4 6620 B13R1.107 CCC(=O)c1cccc(c1OC)F 1458a_100011218433_100000210202 [0,0,0,0,1,1|2,0,0]=4 6621 B13R1.107 CCC(=O)c1cccc(c1OC)O 1458a_100000080799_100000210202 [0,0,0,0,1,1|1,0,0]=3 6622 B13R1.107 CNC(=O)c1cccc(c1OC)Br 11a_106832991635_100000689802 [0,0,0,0,1,1|2,0,0]=4 6623 B13R1.107 CNC(=O)c1cccc(c1OC)Br 1626a_100102657272_100000689802 [0,0,0,0,1,1|2,0,0]=4 6624 B13R1.107 CNC(=O)c1cccc(c1OC)Br 240690a_100102657272_100000689802 [0,0,0,0,1,1|2,0,0]=4 6625 B13R1.107 CNC(=O)c1cccc(c1OC)Br 527a_100102657272_100000689802 [0,0,0,0,1,1|2,0,0]=4 6626 B13R1.107 CNC(=O)c1cccc(c1OC)C 11a_106832991635_100000187929 [0,0,0,0,1,1|2,0,0]=4 6627 B13R1.107 CNC(=O)c1cccc(c1OC)C 1626a_100102657272_100000187929 [0,0,0,0,1,1|2,0,0]=4 6628 B13R1.107 CNC(=O)c1cccc(c1OC)C 240690a_100102657272_100000187929 [0,0,0,0,1,1|2,0,0]=4 6629 B13R1.107 CNC(=O)c1cccc(c1OC)C 527a_100102657272_100000187929 [0,0,0,0,1,1|2,0,0]=4 6630 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 11a_106832991635_100011934004 [0,0,0,0,1,1|2,0,0]=4 6631 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 1626a_100102657272_100011934004 [0,0,0,0,1,1|2,0,0]=4 6632 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 240690a_100102657272_100011934004 [0,0,0,0,1,1|2,0,0]=4 6633 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 527a_100102657272_100011934004 [0,0,0,0,1,1|2,0,0]=4 6634 B13R1.107 CNC(=O)c1cccc(c1OC)F 11a_106832991635_100011218433 [0,0,0,0,1,1|2,0,0]=4 6635 B13R1.107 CNC(=O)c1cccc(c1OC)F 1626a_100102657272_100011218433 [0,0,0,0,1,1|2,0,0]=4 6636 B13R1.107 CNC(=O)c1cccc(c1OC)F 240690a_100102657272_100011218433 [0,0,0,0,1,1|2,0,0]=4 6637 B13R1.107 CNC(=O)c1cccc(c1OC)F 527a_100102657272_100011218433 [0,0,0,0,1,1|2,0,0]=4 6638 B13R1.107 COC(=O)c1cccc(c1C#N)O 271570a_203496583355_100000766541 [0,0,0,0,1,1|2,0,0]=4 6639 B13R1.107 COC(=O)c1cccc(c1OC)Br 34a_100009816214_200000210301 [0,0,0,0,1,1|1,0,0]=3 6640 B13R1.107 COC(=O)c1cccc(c1OC)C 34a_100000149854_200000210301 [0,0,0,0,1,1|1,0,0]=3 6641 B13R1.107 COC(=O)c1cccc(c1OC)C 7a_100000149854_200000210301 [0,0,0,0,1,1|1,0,0]=3 6642 B13R1.107 COC(=O)c1cccc(c1OC)Cl 34a_100000074923_200000210301 [0,0,0,0,1,1|1,0,0]=3 6643 B13R1.107 COC(=O)c1cccc(c1OC)Cl 7a_100000074923_200000210301 [0,0,0,0,1,1|1,0,0]=3 6644 B13R1.107 COC(=O)c1cccc(c1OC)F 34a_100000082593_200000210301 [0,0,0,0,1,1|1,0,0]=3 6645 B13R1.107 COC(=O)c1cccc(c1OC)F 7a_100000082593_200000210301 [0,0,0,0,1,1|1,0,0]=3 6646 B13R1.107 COC(=O)c1cccc(c1OC)N 34a_100000750886_200000210301 [0,0,0,0,1,1|1,0,0]=3 6647 B13R1.107 COC(=O)c1cccc(c1OC)O 271570a_203496583355_100010233336 [0,0,0,0,1,1|0,0,0]=2 6648 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Br 34a_100009816214_200025704644 [0,0,0,0,1,1|1,0,0]=3 6649 B13R1.107 COC(=O)c1cccc(c1O[13CH3])C 34a_100000149854_200025704644 [0,0,0,0,1,1|1,0,0]=3 6650 B13R1.107 COC(=O)c1cccc(c1O[13CH3])C 7a_100000149854_200025704644 [0,0,0,0,1,1|1,0,0]=3 6651 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Cl 34a_100000074923_200025704644 [0,0,0,0,1,1|1,0,0]=3 6652 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Cl 7a_100000074923_200025704644 [0,0,0,0,1,1|1,0,0]=3 6653 B13R1.107 COC(=O)c1cccc(c1O[13CH3])F 34a_100000082593_200025704644 [0,0,0,0,1,1|1,0,0]=3 6654 B13R1.107 COC(=O)c1cccc(c1O[13CH3])F 7a_100000082593_200025704644 [0,0,0,0,1,1|1,0,0]=3 6655 B13R1.107 COC(=O)c1cccc(c1O[13CH3])N 34a_100000750886_200025704644 [0,0,0,0,1,1|1,0,0]=3 6656 B13R1.107 COC(=O)c1cccc(c1SC)Br 62a_100010150843_200000210301 [0,0,0,0,1,1|1,1,0]=4 6657 B13R1.107 COC(=O)c1cccc(c1SC)Br 62a_200000210301_100010150843 [0,0,0,0,1,1|1,1,0]=4 6658 B13R1.107 COC(=O)c1cccc(c1SC)C 62a_100012002529_200000210301 [0,0,0,0,1,1|1,1,0]=4 6659 B13R1.107 COC(=O)c1cccc(c1SC)C 62a_200000210301_100012002529 [0,0,0,0,1,1|1,1,0]=4 6660 B13R1.107 COC(=O)c1cccc(c1SC)F 62a_100012357630_200000210301 [0,0,0,0,1,1|1,1,0]=4 6661 B13R1.107 COC(=O)c1cccc(c1SC)F 62a_200000210301_100012357630 [0,0,0,0,1,1|1,1,0]=4 6662 B13R1.107 COC(=O)c1cccc(c1SC)N 62a_100000719424_200000210301 [0,0,0,0,1,1|1,1,0]=4 6663 B13R1.107 COC(=O)c1cccc(c1SC)O 62a_200000210301_200010230364 [0,0,0,0,1,1|0,1,0]=3 6664 B13R1.107 COC(=O)c1cccc(c1SC)O 62a_200010230364_200000210301 [0,0,0,0,1,1|0,1,0]=3 6665 B13R1.107 COC(=O)c1cccc(c1S[13CH3])Br 62a_100010150843_200025704644 [0,0,0,0,1,1|1,1,0]=4 6666 B13R1.107 COC(=O)c1cccc(c1S[13CH3])Br 62a_200025704644_100010150843 [0,0,0,0,1,1|1,1,0]=4 6667 B13R1.107 COC(=O)c1cccc(c1S[13CH3])C 62a_100012002529_200025704644 [0,0,0,0,1,1|1,1,0]=4 6668 B13R1.107 COC(=O)c1cccc(c1S[13CH3])C 62a_200025704644_100012002529 [0,0,0,0,1,1|1,1,0]=4 6669 B13R1.107 COC(=O)c1cccc(c1S[13CH3])F 62a_100012357630_200025704644 [0,0,0,0,1,1|1,1,0]=4 6670 B13R1.107 COC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012357630 [0,0,0,0,1,1|1,1,0]=4 6671 B13R1.107 COC(=O)c1cccc(c1S[13CH3])N 62a_100000719424_200025704644 [0,0,0,0,1,1|1,1,0]=4 6672 B13R1.107 COC(=O)c1cccc(c1S[13CH3])O 62a_200010230364_200025704644 [0,0,0,0,1,1|0,1,0]=3 6673 B13R1.107 COC(=O)c1cccc(c1S[13CH3])O 62a_200025704644_200010230364 [0,0,0,0,1,1|0,1,0]=3 6674 B13R1.107 COc1c(cccc1C(=O)CF)O 1458a_100000080799_100015361967 [0,0,0,0,1,1|2,0,0]=4 6675 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)O 271570a_100011290941_100010150825 [0,0,0,0,1,1|1,0,1]=4 6676 B13R1.2065 C=Cc1nc(ccc1C(=O)OC)O 271570a_100011290941_100016008356 [0,0,0,0,1,1|1,0,1]=4 6677 B13R1.2065 CCC(=O)c1ccc(cc1OC)Br 1458a_100000748230_100000210202 [0,0,0,0,1,1|2,0,0]=4 6678 B13R1.2065 CCC(=O)c1ccc(cc1OC)C 1458a_100000217210_100000210202 [0,0,0,0,1,1|2,0,0]=4 6679 B13R1.2065 CCC(=O)c1ccc(cc1OC)Cl 1458a_100000217211_100000210202 [0,0,0,0,1,1|2,0,0]=4 6680 B13R1.2065 CCC(=O)c1ccc(cc1OC)F 1458a_100000239970_100000210202 [0,0,0,0,1,1|2,0,0]=4 6681 B13R1.2065 CCC(=O)c1ccc(cc1OC)I 1458a_100012353712_100000210202 [0,0,0,0,1,1|2,0,0]=4 6682 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 11a_106832991635_100000748230 [0,0,0,0,1,1|2,0,0]=4 6683 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 1626a_100102657272_100000748230 [0,0,0,0,1,1|2,0,0]=4 6684 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 240690a_100102657272_100000748230 [0,0,0,0,1,1|2,0,0]=4 6685 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 527a_100102657272_100000748230 [0,0,0,0,1,1|2,0,0]=4 6686 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 11a_106832991635_100000217210 [0,0,0,0,1,1|2,0,0]=4 6687 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 1626a_100102657272_100000217210 [0,0,0,0,1,1|2,0,0]=4 6688 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 240690a_100102657272_100000217210 [0,0,0,0,1,1|2,0,0]=4 6689 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 527a_100102657272_100000217210 [0,0,0,0,1,1|2,0,0]=4 6690 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 11a_106832991635_100000217211 [0,0,0,0,1,1|2,0,0]=4 6691 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 1626a_100102657272_100000217211 [0,0,0,0,1,1|2,0,0]=4 6692 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 240690a_100102657272_100000217211 [0,0,0,0,1,1|2,0,0]=4 6693 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 527a_100102657272_100000217211 [0,0,0,0,1,1|2,0,0]=4 6694 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 11a_106832991635_100000239970 [0,0,0,0,1,1|2,0,0]=4 6695 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 1626a_100102657272_100000239970 [0,0,0,0,1,1|2,0,0]=4 6696 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 240690a_100102657272_100000239970 [0,0,0,0,1,1|2,0,0]=4 6697 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 527a_100102657272_100000239970 [0,0,0,0,1,1|2,0,0]=4 6698 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 11a_106832991635_100012353712 [0,0,0,0,1,1|2,0,0]=4 6699 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 1626a_100102657272_100012353712 [0,0,0,0,1,1|2,0,0]=4 6700 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 240690a_100102657272_100012353712 [0,0,0,0,1,1|2,0,0]=4 6701 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 527a_100102657272_100012353712 [0,0,0,0,1,1|2,0,0]=4 6702 B13R1.2065 CNC(=O)c1ccc(cc1OC)N 34a_100000223174_200000210301 [0,0,0,0,1,1|2,0,0]=4 6703 B13R1.2065 CNC(=O)c1ccc(cc1OC)N 7a_100000223174_200000210301 [0,0,0,0,1,1|2,0,0]=4 6704 B13R1.2065 CNC(=O)c1ccc(cc1O[13CH3])N 34a_100000223174_200025704644 [0,0,0,0,1,1|2,0,0]=4 6705 B13R1.2065 CNC(=O)c1ccc(cc1O[13CH3])N 7a_100000223174_200025704644 [0,0,0,0,1,1|2,0,0]=4 6706 B13R1.2065 CNc1cc(ccc1C(=O)OC)O 271570a_203496583355_200160487225 [0,0,0,0,1,1|1,0,0]=3 6707 B13R1.2065 COC(=O)c1ccc(cc1C#N)O 271570a_203496583355_100010150794 [0,0,0,0,1,1|2,0,0]=4 6708 B13R1.2065 COC(=O)c1ccc(cc1C=O)O 271570a_203496583355_100010732994 [0,0,0,0,1,1|2,0,0]=4 6709 B13R1.2065 COC(=O)c1ccc(cc1OC)Br 34a_100000699699_200000210301 [0,0,0,0,1,1|1,0,0]=3 6710 B13R1.2065 COC(=O)c1ccc(cc1OC)Br 7a_100000699699_200000210301 [0,0,0,0,1,1|1,0,0]=3 6711 B13R1.2065 COC(=O)c1ccc(cc1OC)C 34a_100000148187_200000210301 [0,0,0,0,1,1|1,0,0]=3 6712 B13R1.2065 COC(=O)c1ccc(cc1OC)C 7a_100000148187_200000210301 [0,0,0,0,1,1|1,0,0]=3 6713 B13R1.2065 COC(=O)c1ccc(cc1OC)Cl 34a_100000151441_200000210301 [0,0,0,0,1,1|1,0,0]=3 6714 B13R1.2065 COC(=O)c1ccc(cc1OC)Cl 7a_100000151441_200000210301 [0,0,0,0,1,1|1,0,0]=3 6715 B13R1.2065 COC(=O)c1ccc(cc1OC)F 34a_100011216117_200000210301 [0,0,0,0,1,1|1,0,0]=3 6716 B13R1.2065 COC(=O)c1ccc(cc1OC)F 7a_100011216117_200000210301 [0,0,0,0,1,1|1,0,0]=3 6717 B13R1.2065 COC(=O)c1ccc(cc1OC)I 7a_100000062286_200000210301 [0,0,0,0,1,1|1,0,0]=3 6718 B13R1.2065 COC(=O)c1ccc(cc1OC)N 34a_100000718744_200000210301 [0,0,0,0,1,1|1,0,0]=3 6719 B13R1.2065 COC(=O)c1ccc(cc1OC)N 7a_100000718744_200000210301 [0,0,0,0,1,1|1,0,0]=3 6720 B13R1.2065 COC(=O)c1ccc(cc1OC)O 271570a_203496583355_100000708095 [0,0,0,0,1,1|0,0,0]=2 6721 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Br 34a_100000699699_200025704644 [0,0,0,0,1,1|1,0,0]=3 6722 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Br 7a_100000699699_200025704644 [0,0,0,0,1,1|1,0,0]=3 6723 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])C 34a_100000148187_200025704644 [0,0,0,0,1,1|1,0,0]=3 6724 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])C 7a_100000148187_200025704644 [0,0,0,0,1,1|1,0,0]=3 6725 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000151441_200025704644 [0,0,0,0,1,1|1,0,0]=3 6726 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000151441_200025704644 [0,0,0,0,1,1|1,0,0]=3 6727 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])F 34a_100011216117_200025704644 [0,0,0,0,1,1|1,0,0]=3 6728 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])F 7a_100011216117_200025704644 [0,0,0,0,1,1|1,0,0]=3 6729 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])I 7a_100000062286_200025704644 [0,0,0,0,1,1|1,0,0]=3 6730 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])N 34a_100000718744_200025704644 [0,0,0,0,1,1|1,0,0]=3 6731 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])N 7a_100000718744_200025704644 [0,0,0,0,1,1|1,0,0]=3 6732 B13R1.2065 COC(=O)c1ccc(cc1SC)Br 62a_100000701758_200000210301 [0,0,0,0,1,1|1,1,0]=4 6733 B13R1.2065 COC(=O)c1ccc(cc1SC)C 62a_100012340597_200000210301 [0,0,0,0,1,1|1,1,0]=4 6734 B13R1.2065 COC(=O)c1ccc(cc1SC)C 62a_200000210301_100012340597 [0,0,0,0,1,1|1,1,0]=4 6735 B13R1.2065 COC(=O)c1ccc(cc1SC)Cl 62a_100000047510_200000210301 [0,0,0,0,1,1|1,1,0]=4 6736 B13R1.2065 COC(=O)c1ccc(cc1SC)Cl 62a_200000210301_100000047510 [0,0,0,0,1,1|1,1,0]=4 6737 B13R1.2065 COC(=O)c1ccc(cc1SC)F 62a_100000204356_200000210301 [0,0,0,0,1,1|1,1,0]=4 6738 B13R1.2065 COC(=O)c1ccc(cc1SC)F 62a_200000210301_100000204356 [0,0,0,0,1,1|1,1,0]=4 6739 B13R1.2065 COC(=O)c1ccc(cc1SC)N 62a_100009998378_200000210301 [0,0,0,0,1,1|1,1,0]=4 6740 B13R1.2065 COC(=O)c1ccc(cc1SC)N 62a_200000210301_100010150747 [0,0,0,0,1,1|1,1,0]=4 6741 B13R1.2065 COC(=O)c1ccc(cc1SC)O 62a_100010150825_200000210301 [0,0,0,0,1,1|0,1,0]=3 6742 B13R1.2065 COC(=O)c1ccc(cc1SC)O 62a_200000210301_100010150825 [0,0,0,0,1,1|0,1,0]=3 6743 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])Br 62a_100000701758_200025704644 [0,0,0,0,1,1|1,1,0]=4 6744 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])C 62a_100012340597_200025704644 [0,0,0,0,1,1|1,1,0]=4 6745 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_100012340597 [0,0,0,0,1,1|1,1,0]=4 6746 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])Cl 62a_100000047510_200025704644 [0,0,0,0,1,1|1,1,0]=4 6747 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])Cl 62a_200025704644_100000047510 [0,0,0,0,1,1|1,1,0]=4 6748 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])F 62a_100000204356_200025704644 [0,0,0,0,1,1|1,1,0]=4 6749 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])F 62a_200025704644_100000204356 [0,0,0,0,1,1|1,1,0]=4 6750 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])N 62a_100009998378_200025704644 [0,0,0,0,1,1|1,1,0]=4 6751 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])N 62a_200025704644_100010150747 [0,0,0,0,1,1|1,1,0]=4 6752 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])O 62a_100010150825_200025704644 [0,0,0,0,1,1|0,1,0]=3 6753 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])O 62a_200025704644_100010150825 [0,0,0,0,1,1|0,1,0]=3 6754 B13R1.2065 COC(=O)c1ccc(nc1OC)O 271570a_203496583355_100000703831 [0,0,0,0,1,1|0,0,0]=2 6755 B13R1.2065 COC(=O)c1ccc(nc1SC)C 62a_100000054099_200000210301 [0,0,0,0,1,1|1,1,0]=4 6756 B13R1.2065 COC(=O)c1ccc(nc1SC)C 62a_200000210301_100000054099 [0,0,0,0,1,1|1,1,0]=4 6757 B13R1.2065 COC(=O)c1ccc(nc1SC)N 62a_100009865240_200000210301 [0,0,0,0,1,1|1,1,0]=4 6758 B13R1.2065 COC(=O)c1ccc(nc1SC)N 62a_200000210301_100009865240 [0,0,0,0,1,1|1,1,0]=4 6759 B13R1.2065 COC(=O)c1ccc(nc1S[13CH3])C 62a_100000054099_200025704644 [0,0,0,0,1,1|1,1,0]=4 6760 B13R1.2065 COC(=O)c1ccc(nc1S[13CH3])C 62a_200025704644_100000054099 [0,0,0,0,1,1|1,1,0]=4 6761 B13R1.2065 COC(=O)c1ccc(nc1S[13CH3])N 62a_100009865240_200025704644 [0,0,0,0,1,1|1,1,0]=4 6762 B13R1.2065 COC(=O)c1ccc(nc1S[13CH3])N 62a_200025704644_100009865240 [0,0,0,0,1,1|1,1,0]=4 6763 B13R1.2065 COC(=O)c1cnc(cc1OC)O 271570a_203496583355_100010062786 [0,0,0,0,1,1|1,0,0]=3 6764 B13R1.2065 COC(=O)c1ncc(cc1OC)Br 34a_100010071521_200000210301 [0,0,0,0,1,1|2,0,0]=4 6765 B13R1.2065 COC(=O)c1ncc(cc1OC)Br 7a_100010071521_200000210301 [0,0,0,0,1,1|2,0,0]=4 6766 B13R1.2065 COC(=O)c1ncc(cc1OC)O 271570a_203496583355_100010254911 [0,0,0,0,1,1|1,0,0]=3 6767 B13R1.2065 COC(=O)c1ncc(cc1O[13CH3])Br 34a_100010071521_200025704644 [0,0,0,0,1,1|2,0,0]=4 6768 B13R1.2065 COC(=O)c1ncc(cc1O[13CH3])Br 7a_100010071521_200025704644 [0,0,0,0,1,1|2,0,0]=4 6769 B15R1.4039 C#CC(=O)CCc1ccc(c(c1)OC)O 1458a_100000211873_100010741665 [0,0,0,0,0,2|1,0,1]=4 6770 B15R1.4039 C=CC(=O)CCc1ccc(c(c1)OC)O 1458a_100000185746_100010741665 [0,0,0,0,0,2|1,0,1]=4 6771 B15R1.4039 C=CC(=O)NCc1ccc(c(c1)OC)O 240690a_100000185554_200121576911 [0,0,0,0,0,2|1,0,1]=4 6772 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)Br 1458a_100016267305_100000210202 [0,0,0,0,0,2|2,0,0]=4 6773 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)C 6a_100000719150_100000211110 [0,0,0,0,0,2|2,0,0]=4 6774 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)Cl 6a_100011998524_100000211110 [0,0,0,0,0,2|2,0,0]=4 6775 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)F 6a_100000692873_100000211110 [0,0,0,0,0,2|2,0,0]=4 6776 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000210202 [0,0,0,0,0,2|1,0,0]=3 6777 B15R1.4039 CCC(=O)CCc1ccc(c(c1)OC)C 1458a_200000066385_100000210202 [0,0,0,0,0,2|2,0,0]=4 6778 B15R1.4039 CCC(=O)CCc1ccc(c(c1)OC)F 1458a_100009849056_100000210202 [0,0,0,0,0,2|2,0,0]=4 6779 B15R1.4039 CCC(=O)CCc1ccc(c(c1)OC)O 1458a_100000210414_100010741665 [0,0,0,0,0,2|1,0,0]=3 6780 B15R1.4039 CCC(=O)CCc1ccc(c(c1)OC)O 1458a_100011216321_100000210202 [0,0,0,0,0,2|1,0,0]=3 6781 B15R1.4039 CCC(=O)COc1ccc(c(c1)OC)Br 7a_100011827694_100000747405 [0,0,0,0,0,2|2,0,0]=4 6782 B15R1.4039 CCC(=O)COc1ccc(c(c1)OC)C 7a_100009865632_100000747405 [0,0,0,0,0,2|2,0,0]=4 6783 B15R1.4039 CCC(=O)COc1ccc(c(c1)OC)Cl 7a_100012186310_100000747405 [0,0,0,0,0,2|2,0,0]=4 6784 B15R1.4039 CCC(=O)COc1ccc(c(c1)OC)F 7a_100012001760_100000747405 [0,0,0,0,0,2|2,0,0]=4 6785 B15R1.4039 CCC(=O)COc1ccc(c(c1)OC)N 7a_100015326901_100000747405 [0,0,0,0,0,2|2,0,0]=4 6786 B15R1.4039 CCC(=O)CSc1ccc(c(c1)CC)O 62a_100000747405_100012338938 [0,0,0,0,0,2|2,0,0]=4 6787 B15R1.4039 CCC(=O)CSc1ccc(c(c1)OC)Br 62a_100000747405_100012353699 [0,0,0,0,0,2|2,0,0]=4 6788 B15R1.4039 CCC(=O)CSc1ccc(c(c1)OC)Br 62a_100012353699_100000747405 [0,0,0,0,0,2|2,0,0]=4 6789 B15R1.4039 CCC(=O)CSc1ccc(c(c1)OC)C 62a_100000747405_100011830276 [0,0,0,0,0,2|2,0,0]=4 6790 B15R1.4039 CCC(=O)CSc1ccc(c(c1)OC)C 62a_100011830276_100000747405 [0,0,0,0,0,2|2,0,0]=4 6791 B15R1.4039 CCC(=O)CSc1ccc(c(c1)OC)Cl 62a_100000747405_100011356853 [0,0,0,0,0,2|2,0,0]=4 6792 B15R1.4039 CCC(=O)CSc1ccc(c(c1)OC)Cl 62a_100011356853_100000747405 [0,0,0,0,0,2|2,0,0]=4 6793 B15R1.4039 CCC(=O)CSc1ccc(c(c1)OC)F 62a_100000747405_100011934186 [0,0,0,0,0,2|2,0,0]=4 6794 B15R1.4039 CCC(=O)CSc1ccc(c(c1)OC)F 62a_100011934186_100000747405 [0,0,0,0,0,2|2,0,0]=4 6795 B15R1.4039 CCC(=O)CSc1ccc(c(c1)OC)N 62a_100000747405_100015196925 [0,0,0,0,0,2|2,0,0]=4 6796 B15R1.4039 CCC(=O)CSc1ccc(c(c1)OC)N 62a_100011279103_100000747405 [0,0,0,0,0,2|2,0,0]=4 6797 B15R1.4039 CCC(=O)CSc1ccc(c(c1)OC)O 62a_100000747405_100000694246 [0,0,0,0,0,2|1,0,0]=3 6798 B15R1.4039 CCC(=O)CSc1ccc(c(n1)OC)O 62a_100000747405_100010893133 [0,0,0,0,0,2|2,0,0]=4 6799 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)Cl 11a_100015204853_100000210414 [0,0,0,0,0,2|2,0,0]=4 6800 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)Cl 1626a_100015204853_100000210414 [0,0,0,0,0,2|2,0,0]=4 6801 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)Cl 240690a_100015204853_100000210414 [0,0,0,0,0,2|2,0,0]=4 6802 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)Cl 527a_100015204853_100000210414 [0,0,0,0,0,2|2,0,0]=4 6803 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)F 11a_100020626639_100000210414 [0,0,0,0,0,2|2,0,0]=4 6804 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)F 1626a_100020626639_100000210414 [0,0,0,0,0,2|2,0,0]=4 6805 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)F 240690a_100020626639_100000210414 [0,0,0,0,0,2|2,0,0]=4 6806 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)F 527a_100020626639_100000210414 [0,0,0,0,0,2|2,0,0]=4 6807 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)O 11a_100000185554_100000210414 [0,0,0,0,0,2|1,0,0]=3 6808 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)O 240690a_100000185554_100000210414 [0,0,0,0,0,2|1,0,0]=3 6809 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)O 527a_100000185554_100000210414 [0,0,0,0,0,2|1,0,0]=3 6810 B15R1.4039 CCC(=O)NNc1ccc(c(c1)OC)F 22a_102515433066_100000210414 [0,0,0,0,0,2|2,0,0]=4 6811 B15R1.4039 CCc1cc(ccc1Br)NCC(=O)OC 2230a_100010109747_100000747449 [0,0,0,0,0,2|2,0,0]=4 6812 B15R1.4039 CCc1cc(ccc1Br)NCC(=O)OC 34a_100010109747_100000747449 [0,0,0,0,0,2|2,0,0]=4 6813 B15R1.4039 CCc1cc(ccc1Br)NCC(=O)OC 7a_100010109747_100000747449 [0,0,0,0,0,2|2,0,0]=4 6814 B15R1.4039 CCc1cc(ccc1Br)SCC(=O)OC 62a_100000747449_100010244631 [0,0,0,0,0,2|2,0,0]=4 6815 B15R1.4039 CCc1cc(ccc1Br)SCC(=O)OC 62a_100010244631_100000747449 [0,0,0,0,0,2|2,0,0]=4 6816 B15R1.4039 CCc1cc(ccc1Cl)OCC(=O)OC 34a_100000212063_100000747449 [0,0,0,0,0,2|2,0,0]=4 6817 B15R1.4039 CCc1cc(ccc1Cl)OCC(=O)OC 7a_100000212063_100000747449 [0,0,0,0,0,2|2,0,0]=4 6818 B15R1.4039 CCc1cc(ccc1F)SCC(=O)OC 62a_100000747449_100010244625 [0,0,0,0,0,2|2,0,0]=4 6819 B15R1.4039 CCc1cc(ccc1F)SCC(=O)OC 62a_100010244625_100000747449 [0,0,0,0,0,2|2,0,0]=4 6820 B15R1.4039 CCc1cc(ccc1N)SCC(=O)OC 62a_100000686106_100000747449 [0,0,0,0,0,2|2,0,0]=4 6821 B15R1.4039 CCc1cc(ccc1N)SCC(=O)OC 62a_100000747449_100000686106 [0,0,0,0,0,2|2,0,0]=4 6822 B15R1.4039 CCc1cc(ccc1O)SCC(=O)NC 62a_100000183359_100012338938 [0,0,0,0,0,2|2,0,0]=4 6823 B15R1.4039 CCc1cc(ccc1O)SCC(=O)OC 62a_100000747449_100012338938 [0,0,0,0,0,2|1,0,0]=3 6824 B15R1.4039 CNC(=O)C=Cc1ccc(c(c1)OC)Br 11a_106832991635_100016267305 [0,0,0,0,0,2|2,0,0]=4 6825 B15R1.4039 CNC(=O)C=Cc1ccc(c(c1)OC)Br 1626a_100102657272_100016267305 [0,0,0,0,0,2|2,0,0]=4 6826 B15R1.4039 CNC(=O)C=Cc1ccc(c(c1)OC)Br 240690a_100102657272_100016267305 [0,0,0,0,0,2|2,0,0]=4 6827 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)C 11a_106832991635_200000066385 [0,0,0,0,0,2|2,0,0]=4 6828 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)C 1626a_100102657272_200000066385 [0,0,0,0,0,2|2,0,0]=4 6829 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)C 240690a_100102657272_200000066385 [0,0,0,0,0,2|2,0,0]=4 6830 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)C 527a_100102657272_200000066385 [0,0,0,0,0,2|2,0,0]=4 6831 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)F 11a_106832991635_100009849056 [0,0,0,0,0,2|2,0,0]=4 6832 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)F 1626a_100102657272_100009849056 [0,0,0,0,0,2|2,0,0]=4 6833 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)F 240690a_100102657272_100009849056 [0,0,0,0,0,2|2,0,0]=4 6834 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)F 527a_100102657272_100009849056 [0,0,0,0,0,2|2,0,0]=4 6835 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)O 240690a_100102657272_100011216321 [0,0,0,0,0,2|1,0,0]=3 6836 B15R1.4039 CNC(=O)CNc1ccc(c(c1)OC)Br 2230a_100000765947_100000183359 [0,0,0,0,0,2|2,0,0]=4 6837 B15R1.4039 CNC(=O)CNc1ccc(c(c1)OC)Br 34a_100000765947_100000183359 [0,0,0,0,0,2|2,0,0]=4 6838 B15R1.4039 CNC(=O)CNc1ccc(c(c1)OC)C 2230a_100011279678_100000183359 [0,0,0,0,0,2|2,0,0]=4 6839 B15R1.4039 CNC(=O)CNc1ccc(c(c1)OC)C 34a_100011279678_100000183359 [0,0,0,0,0,2|2,0,0]=4 6840 B15R1.4039 CNC(=O)CNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000183359 [0,0,0,0,0,2|2,0,0]=4 6841 B15R1.4039 CNC(=O)CNc1ccc(c(c1)OC)Cl 34a_100000742311_100000183359 [0,0,0,0,0,2|2,0,0]=4 6842 B15R1.4039 CNC(=O)CNc1ccc(c(c1)OC)F 2230a_100000701188_100000183359 [0,0,0,0,0,2|2,0,0]=4 6843 B15R1.4039 CNC(=O)CNc1ccc(c(c1)OC)F 34a_100000701188_100000183359 [0,0,0,0,0,2|2,0,0]=4 6844 B15R1.4039 CNC(=O)CNc1ccc(c(c1)OC)I 34a_100000746945_100000183359 [0,0,0,0,0,2|2,0,0]=4 6845 B15R1.4039 CNC(=O)CNc1ccc(c(c1)OC)O 34a_100000726020_100000183359 [0,0,0,0,0,2|1,0,0]=3 6846 B15R1.4039 CNC(=O)COc1ccc(c(c1)OC)Br 34a_100011827694_100000183359 [0,0,0,0,0,2|2,0,0]=4 6847 B15R1.4039 CNC(=O)COc1ccc(c(c1)OC)Br 7a_100011827694_100000183359 [0,0,0,0,0,2|2,0,0]=4 6848 B15R1.4039 CNC(=O)COc1ccc(c(c1)OC)C 34a_100009865632_100000183359 [0,0,0,0,0,2|2,0,0]=4 6849 B15R1.4039 CNC(=O)COc1ccc(c(c1)OC)C 7a_100009865632_100000183359 [0,0,0,0,0,2|2,0,0]=4 6850 B15R1.4039 CNC(=O)COc1ccc(c(c1)OC)Cl 34a_100012186310_100000183359 [0,0,0,0,0,2|2,0,0]=4 6851 B15R1.4039 CNC(=O)COc1ccc(c(c1)OC)Cl 7a_100012186310_100000183359 [0,0,0,0,0,2|2,0,0]=4 6852 B15R1.4039 CNC(=O)COc1ccc(c(c1)OC)F 34a_100012001760_100000183359 [0,0,0,0,0,2|2,0,0]=4 6853 B15R1.4039 CNC(=O)COc1ccc(c(c1)OC)F 7a_100012001760_100000183359 [0,0,0,0,0,2|2,0,0]=4 6854 B15R1.4039 CNC(=O)COc1ccc(c(c1)OC)N 34a_100015326901_100000183359 [0,0,0,0,0,2|2,0,0]=4 6855 B15R1.4039 CNC(=O)COc1ccc(c(c1)OC)N 7a_100015326901_100000183359 [0,0,0,0,0,2|2,0,0]=4 6856 B15R1.4039 CNC(=O)CSc1ccc(c(c1)OC)Br 62a_100000183359_100012353699 [0,0,0,0,0,2|2,0,0]=4 6857 B15R1.4039 CNC(=O)CSc1ccc(c(c1)OC)Br 62a_100012353699_100000183359 [0,0,0,0,0,2|2,0,0]=4 6858 B15R1.4039 CNC(=O)CSc1ccc(c(c1)OC)C 62a_100000183359_100011830276 [0,0,0,0,0,2|2,0,0]=4 6859 B15R1.4039 CNC(=O)CSc1ccc(c(c1)OC)C 62a_100011830276_100000183359 [0,0,0,0,0,2|2,0,0]=4 6860 B15R1.4039 CNC(=O)CSc1ccc(c(c1)OC)Cl 62a_100000183359_100011356853 [0,0,0,0,0,2|2,0,0]=4 6861 B15R1.4039 CNC(=O)CSc1ccc(c(c1)OC)Cl 62a_100011356853_100000183359 [0,0,0,0,0,2|2,0,0]=4 6862 B15R1.4039 CNC(=O)CSc1ccc(c(c1)OC)F 62a_100000183359_100011934186 [0,0,0,0,0,2|2,0,0]=4 6863 B15R1.4039 CNC(=O)CSc1ccc(c(c1)OC)F 62a_100011934186_100000183359 [0,0,0,0,0,2|2,0,0]=4 6864 B15R1.4039 CNC(=O)CSc1ccc(c(c1)OC)N 62a_100000183359_100015196925 [0,0,0,0,0,2|2,0,0]=4 6865 B15R1.4039 CNC(=O)CSc1ccc(c(c1)OC)N 62a_100011279103_100000183359 [0,0,0,0,0,2|2,0,0]=4 6866 B15R1.4039 CNC(=O)CSc1ccc(c(c1)OC)O 62a_100000183359_100000694246 [0,0,0,0,0,2|1,0,0]=3 6867 B15R1.4039 CNC(=O)CSc1ccc(c(n1)OC)O 62a_100000183359_100010893133 [0,0,0,0,0,2|2,0,0]=4 6868 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)Cl 2708a_100015204853_106832991635 [0,0,0,0,0,2|2,0,0]=4 6869 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)Cl 2708a_100102657272_100015204853 [0,0,0,0,0,2|2,0,0]=4 6870 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)Cl 273464a_100015204853_100102657272 [0,0,0,0,0,2|2,0,0]=4 6871 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)Cl 273464a_100102657272_100015204853 [0,0,0,0,0,2|2,0,0]=4 6872 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)Cl 512a_100015204853_100102657272 [0,0,0,0,0,2|2,0,0]=4 6873 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)Cl 512a_106832991638_100015204853 [0,0,0,0,0,2|2,0,0]=4 6874 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)F 2708a_100020626639_106832991635 [0,0,0,0,0,2|2,0,0]=4 6875 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)F 2708a_100102657272_100020626639 [0,0,0,0,0,2|2,0,0]=4 6876 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)F 273464a_100020626639_100102657272 [0,0,0,0,0,2|2,0,0]=4 6877 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)F 273464a_100102657272_100020626639 [0,0,0,0,0,2|2,0,0]=4 6878 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)F 512a_100020626639_100102657272 [0,0,0,0,0,2|2,0,0]=4 6879 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)F 512a_106832991638_100020626639 [0,0,0,0,0,2|2,0,0]=4 6880 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 2708a_100000185554_106832991635 [0,0,0,0,0,2|1,0,0]=3 6881 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 2708a_100102657272_100000185554 [0,0,0,0,0,2|1,0,0]=3 6882 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 273464a_100000185554_100102657272 [0,0,0,0,0,2|1,0,0]=3 6883 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 273464a_100102657272_100000185554 [0,0,0,0,0,2|1,0,0]=3 6884 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 512a_106832991638_100000185554 [0,0,0,0,0,2|1,0,0]=3 6885 B15R1.4039 CNC(=O)NNc1ccc(c(c1)OC)F 273464a_100102657272_102515433066 [0,0,0,0,0,2|2,0,0]=4 6886 B15R1.4039 CNC(=O)NNc1ccc(c(c1)OC)F 512a_102515433066_100102657272 [0,0,0,0,0,2|2,0,0]=4 6887 B15R1.4039 CNC(=O)NNc1ccc(c(c1)OC)F 512a_106832991638_102515433066 [0,0,0,0,0,2|2,0,0]=4 6888 B15R1.4039 CNc1cc(ccc1C)SCC(=O)OC 62a_100000747449_100020629602 [0,0,0,0,0,2|2,0,0]=4 6889 B15R1.4039 CNc1cc(ccc1C)SCC(=O)OC 62a_100020629602_100000747449 [0,0,0,0,0,2|2,0,0]=4 6890 B15R1.4039 CNc1cc(ccc1F)SCC(=O)OC 62a_100000747449_100011314990 [0,0,0,0,0,2|2,0,0]=4 6891 B15R1.4039 CNc1cc(ccc1F)SCC(=O)OC 62a_100011314990_100000747449 [0,0,0,0,0,2|2,0,0]=4 6892 B15R1.4039 CNc1cc(ccc1N)SCC(=O)OC 62a_100000694363_100000747449 [0,0,0,0,0,2|2,0,0]=4 6893 B15R1.4039 COC(=O)CNc1ccc(c(c1)C#N)O 34a_100011249283_100000747449 [0,0,0,0,0,2|2,0,0]=4 6894 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)Br 2230a_100000765947_100000747449 [0,0,0,0,0,2|1,0,0]=3 6895 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)Br 34a_100000765947_100000747449 [0,0,0,0,0,2|1,0,0]=3 6896 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)C 2230a_100011279678_100000747449 [0,0,0,0,0,2|1,0,0]=3 6897 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)C 34a_100011279678_100000747449 [0,0,0,0,0,2|1,0,0]=3 6898 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000747449 [0,0,0,0,0,2|1,0,0]=3 6899 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)Cl 34a_100000742311_100000747449 [0,0,0,0,0,2|1,0,0]=3 6900 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)F 2230a_100000701188_100000747449 [0,0,0,0,0,2|1,0,0]=3 6901 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)F 34a_100000701188_100000747449 [0,0,0,0,0,2|1,0,0]=3 6902 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)I 34a_100000746945_100000747449 [0,0,0,0,0,2|1,0,0]=3 6903 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)O 34a_100000726020_100000747449 [0,0,0,0,0,2|0,0,0]=2 6904 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)Br 34a_100011827694_100000747449 [0,0,0,0,0,2|1,0,0]=3 6905 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)Br 7a_100011827694_100000747449 [0,0,0,0,0,2|1,0,0]=3 6906 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)C 34a_100009865632_100000747449 [0,0,0,0,0,2|1,0,0]=3 6907 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)C 7a_100009865632_100000747449 [0,0,0,0,0,2|1,0,0]=3 6908 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)Cl 34a_100012186310_100000747449 [0,0,0,0,0,2|1,0,0]=3 6909 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)Cl 7a_100012186310_100000747449 [0,0,0,0,0,2|1,0,0]=3 6910 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)F 34a_100012001760_100000747449 [0,0,0,0,0,2|1,0,0]=3 6911 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)F 7a_100012001760_100000747449 [0,0,0,0,0,2|1,0,0]=3 6912 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)N 34a_100015326901_100000747449 [0,0,0,0,0,2|1,0,0]=3 6913 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)N 7a_100015326901_100000747449 [0,0,0,0,0,2|1,0,0]=3 6914 B15R1.4039 COC(=O)CSc1c[nH]c(=O)c(c1)OC 62a_100000747449_100010125397 [0,0,0,0,0,2|1,0,1]=4 6915 B15R1.4039 COC(=O)CSc1cc(c(cn1)C)OC 62a_100000747449_100010067687 [0,0,0,0,0,2|2,0,0]=4 6916 B15R1.4039 COC(=O)CSc1cc(c(cn1)C)OC 62a_100010067687_100000747449 [0,0,0,0,0,2|2,0,0]=4 6917 B15R1.4039 COC(=O)CSc1cc(c(cn1)F)OC 62a_100000747449_200010136270 [0,0,0,0,0,2|2,0,0]=4 6918 B15R1.4039 COC(=O)CSc1cc(c(cn1)F)OC 62a_200010136270_100000747449 [0,0,0,0,0,2|2,0,0]=4 6919 B15R1.4039 COC(=O)CSc1cc(c(cn1)N)OC 62a_100000747449_100009887741 [0,0,0,0,0,2|2,0,0]=4 6920 B15R1.4039 COC(=O)CSc1cc(c(cn1)N)OC 62a_100009887741_100000747449 [0,0,0,0,0,2|2,0,0]=4 6921 B15R1.4039 COC(=O)CSc1ccc(c(c1)C#N)O 62a_100000747449_100000687585 [0,0,0,0,0,2|2,0,0]=4 6922 B15R1.4039 COC(=O)CSc1ccc(c(c1)C=O)O 62a_100000747449_100000186750 [0,0,0,0,0,2|2,0,0]=4 6923 B15R1.4039 COC(=O)CSc1ccc(c(c1)CN)O 62a_100000730032_100000747449 [0,0,0,0,0,2|2,0,0]=4 6924 B15R1.4039 COC(=O)CSc1ccc(c(c1)CN)O 62a_100000747449_100000730032 [0,0,0,0,0,2|2,0,0]=4 6925 B15R1.4039 COC(=O)CSc1ccc(c(c1)CO)O 62a_100000184703_100000747449 [0,0,0,0,0,2|2,0,0]=4 6926 B15R1.4039 COC(=O)CSc1ccc(c(c1)CO)O 62a_100000747449_100000184703 [0,0,0,0,0,2|2,0,0]=4 6927 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)Br 62a_100000747449_100012353699 [0,0,0,0,0,2|1,0,0]=3 6928 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)Br 62a_100012353699_100000747449 [0,0,0,0,0,2|1,0,0]=3 6929 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)C 62a_100000747449_100011830276 [0,0,0,0,0,2|1,0,0]=3 6930 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)C 62a_100011830276_100000747449 [0,0,0,0,0,2|1,0,0]=3 6931 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)Cl 62a_100000747449_100011356853 [0,0,0,0,0,2|1,0,0]=3 6932 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)Cl 62a_100011356853_100000747449 [0,0,0,0,0,2|1,0,0]=3 6933 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)F 62a_100000747449_100011934186 [0,0,0,0,0,2|1,0,0]=3 6934 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)F 62a_100011934186_100000747449 [0,0,0,0,0,2|1,0,0]=3 6935 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)N 62a_100000747449_100015196925 [0,0,0,0,0,2|1,0,0]=3 6936 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)N 62a_100011279103_100000747449 [0,0,0,0,0,2|1,0,0]=3 6937 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)O 62a_100000747449_100000694246 [0,0,0,0,0,2|0,0,0]=2 6938 B15R1.4039 COC(=O)CSc1ccc(c(c1)SC)F 62a_100000747449_100010341305 [0,0,0,0,0,2|1,1,0]=4 6939 B15R1.4039 COC(=O)CSc1ccc(c(c1)SC)F 62a_100010341305_100000747449 [0,0,0,0,0,2|1,1,0]=4 6940 B15R1.4039 COC(=O)CSc1ccc(c(n1)OC)N 62a_100000687816_100000747449 [0,0,0,0,0,2|2,0,0]=4 6941 B15R1.4039 COC(=O)CSc1ccc(c(n1)OC)N 62a_100000747449_100000687816 [0,0,0,0,0,2|2,0,0]=4 6942 B15R1.4039 COC(=O)CSc1ccc(c(n1)OC)O 62a_100000747449_100010893133 [0,0,0,0,0,2|1,0,0]=3 6943 B15R1.4039 COC(=O)CSc1cnc(c(c1)OC)C 62a_100000747449_100010254219 [0,0,0,0,0,2|2,0,0]=4 6944 B15R1.4039 COC(=O)CSc1cnc(c(c1)OC)C 62a_100010254219_100000747449 [0,0,0,0,0,2|2,0,0]=4 6945 B15R1.4039 COC(=O)CSc1cnc(c(c1)OC)F 62a_100000747449_100010214931 [0,0,0,0,0,2|2,0,0]=4 6946 B15R1.4039 COC(=O)CSc1cnc(c(c1)OC)F 62a_100010214931_100000747449 [0,0,0,0,0,2|2,0,0]=4 6947 B15R1.4039 COC(=O)CSc1cnc(c(c1)OC)N 62a_100000747449_106354213024 [0,0,0,0,0,2|2,0,0]=4 6948 B15R1.4039 COC(=O)CSc1cnc(c(c1)OC)N 62a_106354213024_100000747449 [0,0,0,0,0,2|2,0,0]=4 6949 B15R1.4039 COC(=O)CSc1cnc(c(n1)OC)O 62a_100000747449_200010365344 [0,0,0,0,0,2|2,0,0]=4 6950 B15R1.4039 COC(=O)CSc1cnc(c(n1)OC)O 62a_200010365344_100000747449 [0,0,0,0,0,2|2,0,0]=4 6951 B15R1.4039 COc1cc(ccc1O)C=CC(=O)CF 1458a_100000182119_100015361967 [0,0,0,0,0,2|2,0,0]=4 6952 B15R1.4039 COc1cc(ccc1O)CCC(=O)CF 1458a_100011216321_100015361967 [0,0,0,0,0,2|2,0,0]=4 6953 B15R1.4039 COc1cc(ccc1O)CCC(=O)CO 1458a_100000210174_100010741665 [0,0,0,0,0,2|2,0,0]=4 6954 B15R1.4039 COc1cc(ccc1O)CNC(=O)CO 240690a_100000185554_100000210174 [0,0,0,0,0,2|2,0,0]=4 6955 B15R1.4039 COc1cc(ccc1O)CNC(=O)CO 527a_100000185554_100000210174 [0,0,0,0,0,2|2,0,0]=4